#DEFINITION	Reference Metabolome for Indigofera bungeana
#IDENTTFIER	RefMeta-Indigofera bungeana.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Indigofera bungeana
#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 Indigofera bungeana 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	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5532
Annotation	Unknow
Peak:m/z	Relative Intensity
69.84009	1.2
69.84422	0.6
71.01254	10.6
72.99177	0.9
73.02815	1.8
81.03320	0.7
83.01256	1.3
83.04880	0.7
84.02068	0.3
85.02833	3.0
87.00746	2.2
89.02316	8.8
93.06972	0.4
94.92376	0.3
95.01261	1.4
95.04891	0.4
96.95882	1.6
96.96879	0.3
97.02850	2.6
97.06480	0.5
98.19759	0.3
99.00748	0.7
101.02321	7.6
109.02823	0.3
109.06490	0.8
111.00802	0.3
111.04412	0.3
111.08037	9.0
111.08789	0.5
113.02341	4.6
116.08353	0.3
119.03390	2.4
123.08032	0.3
124.68591	0.2
125.02341	3.7
125.09607	0.5
127.07552	1.0
131.03360	0.6
135.08018	0.4
137.09612	0.7
139.03902	0.5
139.11183	0.3
143.03394	1.3
149.04443	0.3
151.11197	1.0
153.09152	0.6
153.12737	1.1
161.04480	2.0
163.11201	0.5
165.12750	1.2
167.10710	0.7
169.12263	4.6
171.10129	1.2
176.43861	0.2
179.05516	2.9
179.10612	0.3
181.12251	1.3
181.44543	0.3
183.13829	1.0
187.17384	0.3
193.12218	0.4
197.11761	46.5
198.10410	0.3
198.12088	2.1
199.13345	2.0
200.13594	0.3
208.22266	0.3
209.11835	0.9
211.11462	0.6
211.13342	7.6
212.13698	0.4
221.06602	1.0
221.11743	0.3
223.13290	0.4
227.12831	2.0
235.08177	2.7
235.13181	0.3
247.20630	1.0
253.09172	0.6
260.11197	0.2
263.07678	0.5
263.20105	3.2
265.18088	1.1
267.24567	0.3
272.96979	0.3
273.18701	1.1
277.21649	0.3
287.07703	0.5
291.19666	19.6
292.20050	1.0
293.21146	0.6
305.08774	0.9
309.20697	100.0
310.21066	5.8
323.09683	0.7
333.20615	0.9
379.12610	0.9
397.13474	21.2
398.13770	1.1
415.14581	13.9
415.19339	0.3
416.14859	0.9
422.78824	0.3
595.25983	0.5
601.41150	2.7
689.33740	1.4
707.35065	3.5
708.35596	0.4
966.93726	0.3
999.53674	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5547
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01252	12.1
71.57649	1.7
73.02822	1.4
78.95786	1.5
85.02789	2.4
87.00741	2.8
89.02316	9.6
95.01257	1.3
97.02822	2.5
101.02324	9.6
111.08058	9.6
113.02350	3.7
119.03428	2.5
125.02355	4.3
143.03426	2.0
149.40675	1.3
154.84697	1.3
165.12659	2.5
169.12251	4.2
171.10135	2.3
179.05502	2.7
197.11754	41.3
199.13339	2.6
211.13341	7.6
221.06618	1.7
227.12814	2.3
235.08209	3.4
247.20769	1.9
263.20181	2.7
291.19678	22.6
309.20703	100.0
310.21078	6.5
313.77914	1.2
323.09842	1.5
346.59692	1.3
379.12320	2.2
397.13470	22.9
415.14545	12.5
707.34680	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	999.5531
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	6.3
71.04883	1.7
72.99171	0.7
73.02816	1.0
81.03333	0.4
83.01252	0.5
83.04897	1.4
85.02822	1.9
85.06473	1.3
87.00741	1.1
87.04427	0.5
89.02314	5.3
95.01249	0.8
95.04911	0.6
97.02871	1.0
97.06464	0.6
99.00776	0.2
101.02325	5.0
109.06463	2.0
111.00757	0.3
111.03750	0.2
111.04403	1.3
111.08039	0.6
113.02325	2.8
115.03780	0.2
119.03393	1.3
123.08048	0.3
125.02334	1.8
127.07523	0.5
131.03394	0.4
139.03899	0.2
143.03394	1.0
161.04437	0.9
167.10707	0.6
171.10124	0.3
177.12746	0.6
179.05508	1.8
179.10704	0.5
179.14342	1.6
183.13960	0.2
189.16553	0.2
193.17537	0.2
193.75490	0.2
195.13834	10.6
196.14153	0.3
205.12270	1.0
217.15919	0.6
221.06581	0.4
221.13251	0.5
221.15421	7.8
221.17537	0.5
222.15752	0.5
223.13336	5.1
223.16814	0.4
224.13600	0.2
229.19508	0.4
229.36897	0.2
233.15407	0.6
233.93208	0.3
235.08217	1.4
235.17032	0.5
239.16479	2.3
247.20665	1.2
251.16472	0.8
253.09395	0.4
263.19824	0.2
273.18607	1.2
281.21219	0.5
287.07742	0.4
291.19659	23.1
292.20001	1.3
305.08759	0.5
309.20700	100.0
310.21005	5.3
327.21774	0.6
333.20621	0.4
338.72681	0.2
346.86194	0.3
379.12381	0.7
393.29153	0.2
397.13483	11.7
398.13928	0.5
415.14554	11.7
416.14877	0.5
433.82260	0.2
601.41040	1.6
689.34100	1.3
707.34882	3.6
708.35852	0.3
999.55359	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5535
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01258	42.4
72.99188	2.4
73.02822	5.7
75.00739	1.4
81.03326	3.1
83.01264	5.6
83.04904	2.8
85.02842	9.7
87.00757	9.3
89.02322	33.9
90.23951	1.1
93.03324	1.4
95.01275	4.0
95.04902	1.9
96.95882	2.5
97.02830	7.9
97.06474	4.3
98.20556	2.8
99.00771	2.2
101.02328	29.7
108.28873	1.0
109.02861	1.7
109.06476	1.9
111.00727	1.2
111.04443	1.5
111.08049	16.4
113.02342	15.5
119.03393	12.0
123.04424	2.6
123.08059	1.6
124.01509	1.0
125.02333	11.9
125.09650	8.3
131.03426	1.3
133.05014	1.3
135.08076	1.5
137.02303	1.1
137.09625	4.5
141.01807	1.4
141.12747	1.1
143.03397	5.4
149.04535	1.6
149.09634	1.5
151.11232	1.6
153.12749	1.3
161.04486	7.3
163.11191	7.3
165.12769	4.7
167.10674	2.6
169.12263	3.7
171.10205	3.3
177.12764	3.4
179.05550	10.4
179.10706	3.6
179.14264	1.1
181.12260	2.6
185.11745	7.3
191.10677	1.0
191.14371	5.6
195.13857	14.1
197.11780	27.0
198.12146	1.1
199.06152	1.3
199.13292	1.5
207.10239	3.5
209.11821	15.6
211.13356	6.1
221.06610	2.9
221.11755	1.2
223.13400	8.4
225.11317	2.6
227.12811	9.8
229.43060	1.5
235.08179	9.6
237.11203	2.1
243.74301	1.2
245.19089	10.4
247.20621	3.9
253.09146	3.0
256.13144	1.7
263.07727	1.4
263.20200	4.0
271.16974	2.0
273.18497	1.5
275.20285	6.6
275.22839	1.1
289.18097	45.0
290.18457	1.3
291.19672	100.0
292.19922	7.1
293.21240	90.6
294.21594	5.2
305.08862	1.9
307.19156	40.5
308.19543	2.5
309.20706	48.9
310.21017	5.3
323.09949	2.0
333.20688	1.1
379.12363	2.7
397.13504	48.7
398.13599	2.8
415.14566	26.6
416.14487	1.6
546.62128	1.2
607.25555	2.1
705.33789	1.6
963.88208	1.5
981.52789	1.5
999.53455	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.538
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03322	3.5
70.91631	0.9
71.01250	33.8
72.99191	2.0
73.02819	4.3
81.03326	1.8
83.01256	4.3
83.04897	2.8
85.02826	10.3
87.00751	8.7
87.26517	0.9
87.33690	0.9
89.02319	25.4
93.03376	1.2
95.01260	3.6
95.04906	2.5
96.95908	5.6
97.02832	7.8
97.06459	5.1
99.00787	1.6
101.02325	25.6
106.04109	1.7
107.04876	1.5
109.02834	1.7
109.06471	4.1
111.04452	1.6
111.08047	8.9
113.02335	12.2
119.03392	8.2
119.04895	0.8
123.04404	3.0
125.02329	13.1
125.09602	5.1
131.03392	1.6
133.58008	0.9
135.08087	1.6
137.02412	1.2
137.09622	3.9
141.12788	1.8
143.03369	5.2
149.04454	1.2
149.06000	1.0
149.09654	2.1
149.37428	1.1
153.12617	1.3
161.04451	5.4
163.11200	6.8
165.12759	4.3
169.01244	1.1
169.10951	1.0
169.12238	4.8
171.10199	4.8
177.12769	3.1
179.05571	7.1
179.10643	1.1
181.12279	3.3
183.13863	1.2
185.11723	5.1
189.12737	1.2
191.10696	1.5
191.14365	7.0
193.12238	1.0
195.13872	10.1
197.11774	48.4
199.13350	2.6
203.10712	2.1
207.10193	3.8
209.11769	13.8
211.13358	9.3
221.06683	3.6
221.11832	1.4
221.15407	1.6
223.13350	3.7
225.11302	3.3
227.12845	4.3
229.63249	1.2
235.08235	9.1
235.13324	3.6
237.11247	2.0
237.14941	3.1
243.17574	1.2
245.19070	14.1
247.13298	7.0
247.20625	2.0
253.09337	2.4
261.18546	2.4
263.07681	1.7
263.20197	6.8
265.14441	5.2
265.18042	1.9
273.18655	1.6
275.20261	2.8
279.19653	1.5
281.21249	2.3
287.07703	1.8
287.16522	3.0
289.18106	59.0
290.18488	3.7
291.19690	29.8
292.20068	1.8
293.21228	47.5
294.21552	2.3
305.08868	1.7
305.17596	15.6
307.19168	55.7
308.19467	3.7
309.20712	100.0
310.21136	4.9
314.58682	1.0
323.09769	2.1
325.20276	1.2
379.12421	4.2
397.13528	54.9
398.13934	3.0
415.14606	23.0
416.14648	1.8
433.74698	0.9
599.39154	1.1
633.27618	1.0
645.27594	1.8
646.79346	1.0
651.48859	1.1
663.30109	2.0
676.02216	1.2
679.38708	1.0
685.29999	1.3
687.31946	2.2
703.32672	1.7
705.33484	2.9
707.33990	1.1
899.46521	1.2
909.49072	1.3
921.48145	1.4
939.50360	6.5
979.51312	3.2
997.53479	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	999.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52483	4.1
73.75362	0.5
83.01258	0.9
107.01289	2.5
107.18405	0.7
108.02036	1.6
109.02827	1.5
117.67632	0.5
119.01270	0.7
121.02847	1.7
124.01508	0.7
135.00769	1.3
139.74579	0.4
143.31076	0.5
148.01585	1.8
149.99615	0.5
151.00281	9.7
152.00591	1.4
163.00354	2.6
164.00906	0.8
178.99763	4.9
180.00111	0.8
185.02505	0.5
199.03938	0.9
203.03438	0.8
211.03911	0.9
215.03426	0.8
216.04155	0.7
226.02695	0.9
227.03551	2.6
229.04842	0.8
243.02954	10.3
244.03336	2.0
245.04378	1.7
254.02231	2.3
255.02965	28.5
256.03259	5.7
257.03625	1.5
269.13840	1.5
271.02472	59.9
272.02841	11.5
273.03027	3.8
283.02426	1.6
285.03809	0.7
299.02094	1.4
300.02740	92.9
301.03366	47.8
302.03558	11.1
303.04019	3.2
446.79959	0.6
449.20285	3.2
463.08881	1.9
505.09897	100.0
506.10226	25.8
507.10419	18.9
508.10953	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.5386
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03321	1.5
71.01253	19.3
71.04901	2.0
72.54746	1.1
73.02824	3.2
78.04801	1.3
81.03362	2.2
83.01255	2.9
83.04903	1.6
85.02826	3.3
87.00771	3.4
89.02326	15.2
95.01263	1.6
96.95896	3.6
97.02857	2.9
98.20519	2.2
101.02329	12.9
102.64963	1.2
109.06485	10.3
111.04405	3.6
111.07333	1.6
111.08025	8.5
113.02340	8.1
119.03389	4.7
121.02833	1.8
121.19385	1.1
123.08065	2.7
125.02370	7.9
127.07615	1.5
135.08052	1.3
137.09607	1.6
143.03380	3.4
145.06468	1.9
149.09669	1.2
161.04465	2.9
165.12730	2.1
167.03383	1.7
167.10683	2.2
169.01387	1.3
169.12224	4.1
171.10210	3.2
179.05544	4.6
179.10675	1.5
181.12300	2.1
195.13889	1.9
197.11763	39.4
199.13304	1.8
209.11646	2.0
211.13359	5.9
221.06544	2.5
227.12936	2.1
235.08228	5.4
245.19077	4.8
253.09383	1.5
263.20117	2.1
271.17075	1.6
273.18799	1.3
287.16489	1.6
289.18097	100.0
290.18417	4.0
291.19699	22.9
293.21417	1.8
294.20544	1.1
305.08597	1.5
305.17316	1.2
307.19171	7.3
309.20700	83.2
310.21115	3.3
379.12561	1.8
397.13510	45.8
398.13690	1.5
415.14615	16.8
431.47974	1.2
533.99292	1.3
687.32166	3.7
707.35504	1.4
803.47998	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01220	0.3
73.59898	0.4
75.61015	0.3
83.01258	0.7
94.41602	0.3
107.01270	2.8
108.02036	1.6
109.02865	1.9
119.01243	0.5
120.62769	0.4
121.02831	2.1
122.20183	0.3
125.02296	0.5
128.38794	0.3
135.00781	1.2
148.01570	1.4
151.00284	10.4
152.00958	0.4
161.32771	0.3
162.93388	0.3
163.00279	3.2
164.01065	0.9
169.01323	0.6
172.18030	0.3
175.03972	0.5
178.99773	4.6
183.04488	0.7
187.03990	0.6
190.99823	0.5
198.03169	0.4
199.03912	0.9
201.05453	0.5
203.03433	0.5
211.03850	1.5
215.03433	0.7
216.04201	0.8
226.02646	1.6
227.03441	3.4
229.04941	0.5
230.32965	0.5
232.91730	0.3
239.03265	0.4
243.02968	12.2
244.03574	0.7
245.04465	1.4
248.34546	0.3
254.02199	2.0
255.02972	32.4
256.03406	1.4
266.02246	0.6
271.02481	69.7
272.02921	5.1
273.04071	1.4
283.02368	1.8
284.03201	1.2
285.04071	2.1
285.12308	0.3
299.02032	1.1
300.02753	95.2
301.03467	34.8
302.03986	1.6
417.59982	0.4
447.09241	0.9
463.08731	2.1
505.09888	100.0
506.10117	8.5
547.23541	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.5375
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03331	2.7
69.95841	3.1
69.96244	1.6
71.01255	23.3
72.99178	2.1
73.02824	3.1
77.85422	0.7
79.95584	0.8
80.02550	0.9
81.03325	2.2
83.01241	4.1
83.04892	2.0
84.02125	0.8
85.02820	6.6
87.00261	0.6
87.00726	4.6
89.02319	18.0
95.01270	2.0
95.04923	1.6
96.95901	1.6
97.02793	4.1
97.06472	2.9
99.00753	1.7
101.02327	14.6
109.06480	1.7
111.04386	1.3
111.08038	12.0
113.02320	8.5
116.27620	0.7
119.03392	3.6
123.04398	2.9
123.08057	1.9
125.02357	8.7
125.09636	4.9
127.07539	1.5
131.03349	1.2
132.02921	0.9
135.08070	0.9
137.09619	2.4
141.01840	0.9
143.03333	3.2
149.02377	0.7
151.11205	1.6
153.12677	1.7
161.04419	4.3
163.11235	5.5
165.12759	2.5
167.10652	1.0
169.12262	4.9
171.10129	1.3
177.12785	1.4
179.05544	6.1
179.10716	1.5
181.12294	3.2
183.13843	2.8
185.11803	4.2
191.14365	5.1
194.85130	0.7
197.11768	55.9
198.12193	2.1
199.13338	2.5
207.10220	3.6
209.11771	14.7
211.13329	9.9
212.13721	1.3
221.06566	2.5
221.11659	0.9
223.13235	0.8
225.11281	2.1
227.12830	3.7
227.38985	0.8
235.08173	5.1
237.11272	2.9
237.72539	0.8
245.19073	10.9
253.09262	2.1
263.20154	8.6
265.17908	1.5
271.16910	1.2
273.12323	0.9
273.18597	1.1
289.18097	41.1
290.18439	2.4
291.19669	22.5
293.21198	2.3
305.08875	1.4
307.19144	53.7
308.19531	2.6
309.20712	100.0
310.21106	4.3
325.20267	1.0
372.75024	0.9
379.12326	2.4
397.13510	36.9
415.14551	21.4
607.26312	3.6
628.15466	0.8
687.32343	2.2
689.33899	1.1
696.11017	1.0
705.33459	3.8
707.34662	1.3
708.96661	0.9
712.11316	0.8
786.76721	0.8
841.44196	0.8
899.45911	1.9
965.55096	1.0
979.51563	1.1
997.53699	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	995.6109
Annotation	Unknow
Peak:m/z	Relative Intensity
78.70145	0.2
78.95775	23.9
87.23034	0.2
96.96834	0.3
110.45888	0.2
122.00028	0.7
126.86278	0.2
131.04523	0.7
132.16313	0.2
134.98421	0.3
140.01080	5.9
152.99493	1.9
186.43013	0.2
196.03737	10.4
214.04842	2.5
229.82645	0.3
261.22284	0.5
279.23276	100.0
280.23602	5.8
355.88046	0.2
445.13644	0.2
476.27808	88.6
477.21585	0.4
477.28204	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	995.6108
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01266	0.2
76.21968	0.1
78.95776	8.4
87.62641	0.1
94.93021	0.1
96.96795	0.2
108.81094	0.2
121.99937	0.2
140.01065	2.2
152.99493	1.3
165.97363	0.2
171.00508	0.3
196.03711	1.0
200.50731	0.1
208.88576	0.1
214.02776	0.2
214.04817	2.9
229.44176	0.2
261.22235	0.4
279.23282	100.0
280.23624	6.0
332.75266	0.1
476.27817	45.9
477.28113	3.8
497.17371	0.2
753.63531	0.2
861.35162	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03321	4.3
71.01259	6.1
72.52915	1.2
72.99197	1.8
75.00758	1.6
77.03830	1.4
78.95824	1.2
81.03313	8.1
83.01257	20.7
85.02831	2.1
87.00739	1.3
88.98664	1.6
89.02327	3.8
89.03900	1.2
93.03339	4.2
93.79694	1.3
95.01244	4.0
95.04883	3.9
97.02818	8.4
98.20659	2.2
99.04376	4.4
99.46839	1.4
101.02328	3.4
107.04877	3.3
109.02841	15.4
113.02351	3.2
121.02843	10.3
122.03633	4.7
123.00738	2.2
123.04387	3.8
124.01529	2.2
125.02341	100.0
126.02713	2.2
133.02847	2.2
135.04414	5.1
137.02345	82.9
138.02727	1.6
139.03920	3.2
141.01715	1.6
146.02530	2.4
146.03636	28.5
147.04382	2.7
149.02376	2.2
150.03185	1.8
151.03926	7.1
159.04434	16.5
160.05196	4.0
161.02357	4.1
161.05959	3.2
163.35455	1.1
164.01073	20.8
165.01852	51.7
166.02199	2.9
167.03403	23.7
172.05237	7.1
173.05991	5.5
174.03113	13.3
174.06779	2.9
175.03920	3.4
176.04645	2.3
177.01874	10.4
179.03424	16.8
183.04541	2.0
184.05251	1.6
185.05952	3.9
186.06752	2.3
187.03931	6.0
188.04744	11.7
189.05377	1.7
199.07649	2.6
200.04727	5.5
201.05505	5.4
204.04225	7.5
209.06032	3.3
209.11664	2.6
210.06813	2.4
211.04012	3.2
211.13446	2.8
212.04701	6.9
213.05455	2.9
224.04707	1.8
225.05540	7.9
225.12741	2.6
226.06334	3.1
228.07826	1.8
236.04785	1.6
237.05600	3.2
239.07040	2.3
241.12492	1.3
243.13857	2.6
244.07391	2.5
251.07082	3.9
252.08028	3.1
255.13876	5.2
264.07935	1.3
265.08597	1.6
268.07388	3.6
269.07755	1.3
269.11871	5.6
270.09055	3.8
270.12369	1.3
271.13394	40.4
272.13791	2.7
276.07773	1.8
277.21719	12.6
281.24194	1.4
283.13336	5.4
285.14957	4.7
287.12894	3.7
288.06430	2.9
289.14429	14.1
293.21317	1.7
294.08905	6.3
295.13416	5.8
297.14871	4.1
299.12939	10.0
300.13724	1.4
301.14386	4.7
303.15604	1.4
309.14801	2.8
313.14493	21.4
314.14999	2.1
315.15945	2.8
317.14032	6.8
320.07037	2.1
325.14407	14.3
331.15546	4.8
335.16559	4.7
337.14410	10.2
343.15582	7.3
351.15756	2.0
353.17685	3.3
355.15479	4.2
369.17245	1.7
377.17557	6.0
379.15512	4.2
393.17032	3.5
395.18704	6.5
401.17279	2.6
411.18106	1.7
413.19650	1.9
419.18692	19.7
437.19595	12.1
463.17572	6.5
481.18527	4.7
567.24585	9.4
579.24695	1.6
591.23798	2.8
597.25787	3.3
655.27911	1.7
673.28540	12.6
691.29492	1.8
699.26605	2.3
717.27692	7.1
813.44684	2.1
827.45740	18.5
828.46265	2.5
839.45874	17.0
840.46332	2.8
851.46014	11.7
852.46423	2.1
857.46692	11.6
858.47729	1.6
869.44769	2.0
893.47357	4.0
909.51074	2.2
933.49567	19.7
934.50879	3.8
951.49792	4.1
959.48145	7.1
960.49017	2.5
977.49109	97.1
978.49255	17.6
995.50208	59.7
996.50403	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	995.501
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03331	3.7
70.03121	9.1
71.01255	3.5
78.95780	3.0
81.03336	2.0
83.01257	13.8
89.02320	2.5
93.03333	7.3
95.01252	3.8
96.95904	6.1
97.02859	4.5
101.02361	3.5
107.04903	1.9
109.02834	20.6
109.03513	2.4
113.02308	2.2
116.92736	4.2
121.02849	22.3
122.03662	6.4
123.04385	4.3
124.01536	6.1
125.02342	58.4
133.02840	3.2
135.04416	7.0
137.02345	100.0
139.03925	2.7
142.14006	1.8
146.03709	2.0
147.04437	3.5
149.02354	27.2
149.05943	2.8
150.03120	31.7
151.03946	5.3
154.02573	2.6
155.68311	2.0
159.04442	9.8
161.02345	20.0
162.03209	2.2
164.01091	16.0
165.01840	90.0
172.05194	4.3
173.05984	11.7
174.03090	4.2
175.03915	22.9
177.01857	5.3
177.05511	6.2
179.03432	6.9
183.04480	3.3
183.13806	3.1
189.05530	4.0
191.07100	2.5
197.05986	3.5
199.03973	5.7
200.04745	3.9
201.05486	19.2
203.03438	7.9
204.04114	2.9
209.11790	2.8
211.13347	57.8
212.13539	3.8
213.05469	2.9
215.07095	5.6
217.04985	5.9
219.06497	9.5
225.05560	5.2
241.04974	4.1
243.02983	3.6
243.06699	9.0
245.04536	6.2
253.09225	2.4
253.21481	2.0
258.05420	3.3
259.06067	25.2
269.04587	7.4
271.22778	2.3
277.21771	43.2
278.22122	2.8
287.05621	67.8
288.06415	24.4
289.07077	9.7
291.19812	3.2
397.13458	2.3
429.21097	2.3
447.22354	6.7
513.30328	2.1
707.43640	5.2
811.46722	2.8
977.49042	6.9
995.50189	29.7
996.50507	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	995.5014
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03327	3.8
71.01255	3.9
75.00735	2.4
80.54960	1.6
81.03336	6.9
83.01258	18.3
85.02827	2.8
85.04324	1.6
89.02329	2.3
93.03344	5.1
95.01266	3.9
95.04900	5.0
96.95862	3.4
97.02824	6.9
99.04410	4.6
101.02320	3.8
107.04887	2.2
109.02851	11.1
120.01958	1.6
121.02858	10.9
122.03621	3.5
123.04421	4.9
125.02339	95.6
126.02660	2.1
133.02859	1.9
135.04411	5.2
137.02351	86.2
139.03868	2.2
146.03644	34.9
147.04431	3.9
149.02353	2.6
149.05879	1.5
151.03893	3.3
151.23763	1.6
155.24902	1.5
159.04414	13.1
160.05180	4.3
161.02339	2.9
164.01064	18.6
165.01849	49.2
166.02345	1.7
167.03410	29.4
172.05199	8.3
173.05983	6.1
174.03125	14.6
174.06749	4.2
174.38594	1.7
175.03819	3.0
176.04689	4.3
177.01828	6.3
179.03409	18.9
183.04318	2.1
185.05927	2.7
186.06824	3.9
187.03923	5.0
188.04747	11.8
189.05460	3.9
191.03464	2.4
197.06012	1.8
198.06798	2.1
199.07552	2.6
200.04765	8.1
201.05496	4.5
204.04227	7.2
209.05870	1.7
209.11870	1.6
210.06783	2.0
210.57115	1.5
211.04042	2.9
211.13293	3.7
212.04753	7.4
213.05455	2.6
225.05571	6.3
226.06247	3.4
238.05898	1.9
239.07086	2.0
243.13803	2.0
244.07362	3.2
251.07126	4.0
252.07826	3.2
253.09227	2.2
255.14026	3.1
268.07309	2.9
269.11862	6.8
270.08966	3.8
270.12466	1.8
271.13416	35.5
277.21701	23.2
283.13440	4.5
285.14926	3.2
288.06378	3.3
289.14523	8.2
289.17612	2.0
293.21341	2.5
294.08945	4.4
295.13251	2.9
297.14990	4.2
299.12943	10.0
301.14465	3.0
307.19269	2.8
309.14999	3.5
313.14444	23.0
315.16000	4.7
317.13721	2.6
323.12918	1.7
325.14453	14.6
331.15561	2.0
335.16428	4.1
337.14575	12.4
343.15445	4.9
351.15808	2.5
353.17627	2.7
355.15524	2.3
369.16937	2.1
377.17465	6.1
379.15390	3.4
393.17419	3.3
395.18625	4.1
419.18640	18.0
420.18854	2.3
421.16336	2.0
437.19641	8.8
463.18039	8.6
481.18845	2.5
567.24725	4.5
673.28436	7.6
717.27808	4.7
797.44843	2.3
813.43646	1.9
827.45801	20.2
828.46204	4.0
839.46008	18.5
840.46118	2.8
851.45691	10.1
853.13483	1.7
857.47253	9.0
893.47162	2.9
909.73602	1.8
933.50208	22.2
934.50232	7.3
951.49188	4.8
959.48639	6.5
977.49078	100.0
978.48950	24.3
995.50226	63.4
996.50781	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	995.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
69.66013	0.2
70.54679	0.2
71.01261	0.5
71.37521	0.2
97.37068	0.2
101.02325	0.3
121.02850	1.1
122.03642	0.6
125.02321	0.4
143.68892	0.2
147.04416	1.8
148.05203	100.0
149.02354	0.6
149.05547	3.2
150.03154	2.2
163.07556	88.4
164.04774	0.3
164.07872	2.4
165.05498	2.2
176.01273	0.2
180.04211	0.2
195.06580	1.6
280.32748	0.2
357.13507	0.6
367.13937	0.6
369.13434	0.7
409.35834	0.2
535.19757	2.0
538.73157	0.2
583.21790	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
69.02720	1.3
69.03333	3.8
71.01243	6.6
71.07060	3.3
74.80721	1.4
77.03860	1.4
77.10730	1.3
81.03341	7.2
83.01263	23.4
85.02802	2.9
87.50272	1.5
89.02295	3.1
89.03851	1.6
93.03328	5.7
95.01301	3.2
95.04897	3.6
97.02843	8.7
99.04383	6.0
101.02328	4.5
107.04884	2.3
109.02850	11.6
109.15942	1.3
113.18468	1.4
114.74230	1.3
120.02061	1.5
121.02866	8.2
122.03597	4.0
123.04388	5.0
124.01534	3.8
125.02344	100.0
126.02676	1.7
133.02852	1.8
135.04387	4.1
137.02345	84.2
138.02621	1.8
146.03635	28.1
147.04379	2.8
149.02325	1.8
151.03900	4.3
159.04460	13.7
160.05188	6.7
161.02428	1.7
161.05952	3.9
163.00235	1.4
164.01082	18.7
165.01863	48.6
166.02214	2.0
167.03419	31.3
172.05252	8.2
173.05972	5.8
174.03156	15.0
174.06837	3.2
175.03897	4.3
176.04681	2.2
177.01807	9.1
179.03435	17.6
185.05988	3.2
186.06772	3.2
187.03891	6.4
188.04716	10.4
189.05417	3.7
191.03503	1.7
199.07613	1.9
200.04767	7.4
201.05476	6.4
201.08995	1.6
202.06128	1.9
204.04227	5.7
209.06146	2.5
210.06738	2.6
211.04002	2.3
211.07558	3.2
212.04747	6.3
217.12160	1.5
223.07417	1.9
224.04706	2.3
225.05597	5.5
226.06221	2.8
227.06976	2.1
228.07762	1.6
237.05545	2.6
239.07098	1.7
243.13847	1.8
244.07353	1.9
251.07153	4.5
252.07983	3.5
255.13863	3.2
268.07370	3.5
269.11765	7.4
270.08899	3.9
271.13403	39.0
276.08063	1.5
277.21674	13.2
283.13388	6.3
285.14948	4.4
288.06302	1.5
289.14444	11.4
293.21289	2.4
294.08981	6.0
295.13351	3.2
297.14963	2.8
299.12949	7.6
301.14383	4.0
305.67624	1.5
311.12988	1.8
313.14487	20.6
315.16101	2.5
317.13882	4.7
320.06799	1.8
325.14508	15.0
331.15469	3.7
335.16614	5.3
337.14603	9.2
343.15356	7.3
351.16022	3.0
353.17657	4.1
355.15439	2.4
369.17200	1.7
377.17630	5.9
379.15469	3.8
393.17001	2.9
395.18729	7.0
413.19495	2.8
419.18689	16.0
437.19745	10.3
438.19888	1.9
463.17468	7.6
481.18546	2.6
567.24237	9.7
579.24493	3.0
591.24628	4.1
673.28839	10.4
691.30182	2.3
699.26648	2.8
717.27808	4.7
751.29865	1.5
763.05005	1.9
797.44006	1.8
827.45813	21.9
828.46515	4.5
839.45959	13.2
840.46271	3.1
851.45984	10.4
852.45050	1.8
857.46277	11.6
858.47644	2.7
869.46088	1.8
893.46228	2.2
909.50439	2.7
915.47919	1.7
933.49719	21.0
934.49860	3.7
951.48273	6.6
959.47754	5.9
977.49091	89.7
978.49146	23.4
995.50226	63.7
996.50604	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	991.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	0.9
89.31174	0.7
100.54826	0.8
101.54252	0.7
120.67929	0.6
125.02205	0.7
132.02071	2.6
137.77135	0.6
167.03372	1.1
195.04445	1.2
211.03996	1.8
223.03920	2.2
224.04724	5.0
227.03450	3.3
239.03493	9.8
240.04240	3.3
251.03493	1.4
252.04202	0.9
254.05835	5.1
255.02957	7.2
256.03625	1.1
267.02982	13.5
267.05991	1.1
268.03754	41.8
269.04105	2.4
282.05322	16.6
283.06104	100.0
284.03250	10.2
284.06448	5.7
285.03989	3.7
297.07651	20.6
298.08041	1.6
427.82092	0.8
445.11374	78.3
446.11703	5.8
536.03699	0.8
609.71350	0.7
614.57074	0.8
699.43750	0.9
718.75726	0.9
887.29517	4.8
931.29370	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	994.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01260	4.3
72.99168	1.3
83.01269	4.6
85.02831	2.0
92.38600	0.8
95.01289	1.6
96.00764	0.9
99.00761	0.9
107.01273	13.7
108.42481	0.8
109.02830	4.2
110.02380	2.3
111.83799	0.8
113.02332	2.8
121.02857	7.5
125.02358	2.5
133.02858	1.7
141.27597	0.8
148.01518	0.9
149.02403	1.9
151.00276	47.4
159.04376	1.2
160.03958	5.9
161.02367	3.9
163.00282	7.5
165.01894	1.1
169.01357	6.0
175.02422	1.1
175.03960	0.9
178.99789	29.8
183.04483	1.7
186.01910	1.1
187.00313	2.3
187.02721	3.0
188.03503	2.0
193.01427	1.7
193.03490	3.8
199.03894	1.4
205.01369	0.8
211.03946	2.6
213.05534	1.1
214.01451	2.9
227.03560	4.0
229.05104	2.2
229.42259	0.7
239.03470	1.3
240.04100	1.2
241.05113	0.8
243.02979	3.2
245.04495	3.1
255.03040	9.4
256.03644	2.3
257.04596	2.3
267.02982	3.1
271.02521	12.6
272.03055	1.8
273.04037	5.5
282.01822	1.0
283.02478	1.9
285.04031	4.0
294.04190	2.8
295.02454	6.1
299.02139	0.9
300.02759	28.9
301.03528	100.0
302.03848	5.3
313.03549	17.0
314.04099	1.0
322.03564	11.8
323.03946	0.9
340.04611	72.3
341.05093	4.3
477.06766	55.6
478.07068	4.3
503.44940	0.9
516.07867	46.7
517.08221	4.4
911.00983	0.8
955.94470	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5889
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35644	2.3
69.35972	19.0
71.01257	19.2
72.46318	2.2
72.99197	4.1
73.02819	3.5
75.77867	1.7
81.82182	1.9
83.01270	2.9
85.02837	5.3
87.00764	5.1
89.02322	17.4
97.02845	5.0
99.00729	2.3
101.02324	16.8
113.02344	7.4
116.92752	3.7
119.03389	6.3
125.02332	12.7
127.11203	2.5
128.95378	2.0
133.04979	2.0
135.72565	2.0
139.11217	5.3
143.03400	2.2
161.04495	5.4
165.82803	1.7
169.01350	2.2
171.10179	25.2
179.05560	2.8
183.10211	2.4
185.11771	5.1
197.11815	4.8
199.13307	3.5
211.13351	13.7
221.06424	2.1
235.08249	9.1
275.20120	3.9
277.21722	51.1
278.21988	3.3
287.07870	3.5
293.21283	14.1
305.08783	3.5
309.20734	8.0
310.21130	4.9
311.16876	2.8
311.22269	100.0
312.22638	6.3
397.13541	81.9
398.13843	5.9
415.14642	28.3
416.14890	3.9
675.36298	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	987.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99683	1.4
69.34862	6.1
69.35298	5.8
71.01253	5.2
71.77647	1.3
72.99171	3.7
83.01276	5.9
85.02827	3.4
93.03367	2.0
95.01271	4.2
96.99180	1.6
99.00753	2.1
107.01272	13.3
108.02050	1.3
109.02834	14.8
109.58158	1.1
109.99975	1.5
111.00759	8.8
113.02345	4.4
116.66747	1.2
116.88619	1.1
121.02832	9.7
123.00752	5.6
123.04369	1.4
124.98705	1.6
125.02325	7.5
127.00241	2.0
133.02899	1.6
133.95683	1.2
135.00749	2.3
136.98734	2.8
137.02315	4.5
139.00261	18.3
139.03870	2.0
143.04930	1.9
149.02354	7.4
151.00276	53.1
151.03990	2.7
152.00681	1.7
153.01836	9.5
154.99789	19.6
159.04427	3.5
161.02362	1.2
163.00279	6.8
164.01108	1.6
164.98276	2.1
165.01862	2.1
165.98982	3.3
166.99828	9.2
169.01390	6.2
171.04436	3.3
174.03026	1.2
175.02448	1.4
175.03819	2.6
177.01862	1.3
177.05467	1.3
178.99785	51.0
180.00215	1.8
183.04457	2.2
187.03871	6.2
189.01819	1.9
189.05518	1.9
190.99760	1.5
191.03421	1.5
193.01375	6.9
193.03468	8.7
194.99260	7.6
197.00826	1.7
199.03970	4.9
200.27545	1.1
201.05501	1.3
203.03410	4.8
205.04913	1.2
206.99306	2.4
208.00002	1.5
209.00696	2.7
211.03983	2.4
213.02000	2.8
215.03391	4.7
217.04913	2.1
221.00800	1.2
222.98683	2.2
227.03435	5.6
229.04913	1.5
231.02863	3.4
233.04463	3.1
241.01379	1.4
243.02983	5.5
244.02962	1.3
245.00868	1.4
245.04480	5.2
255.03008	6.7
257.04279	1.5
259.02512	3.8
261.04144	2.0
269.00940	2.5
271.02432	13.8
273.03989	3.4
283.02448	1.9
287.01981	15.8
289.03442	6.7
297.00269	6.0
299.01926	9.1
301.03546	94.0
302.03909	5.3
315.01474	55.1
315.05231	2.0
316.01904	4.4
317.03000	80.5
318.03296	3.7
332.01617	2.9
333.02512	100.0
334.02893	4.5
397.04196	2.7
477.06750	61.8
478.07059	4.6
493.06238	45.1
494.06448	4.3
509.05710	63.0
510.05966	5.2
705.34473	1.3
734.50830	1.5
785.99365	1.3
827.00323	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5589
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03322	1.5
71.01257	19.8
72.99187	1.2
73.02813	2.5
75.00735	0.6
78.95778	0.5
80.59107	0.5
81.03313	0.7
82.83443	0.5
83.01254	1.9
85.02833	6.1
85.34380	0.4
87.00750	4.7
89.01760	0.8
89.02316	16.5
90.02673	0.8
93.03317	0.5
93.57502	0.5
95.01269	2.0
95.04921	1.1
96.95900	4.0
97.02843	2.7
99.00749	1.6
101.02325	15.1
109.02837	0.6
109.06516	0.8
111.08041	8.8
113.02331	7.9
113.09653	0.6
119.03384	4.8
121.10103	0.5
125.02352	5.7
131.03358	0.7
135.11656	0.6
139.03967	0.6
143.03371	2.6
149.09625	0.6
153.09074	0.5
159.37019	0.5
161.04478	3.5
167.10715	2.4
171.10226	1.1
172.30478	0.5
177.12732	1.9
179.05539	5.0
179.10684	2.5
179.14305	0.9
195.13838	13.9
197.11795	0.6
205.12222	0.8
211.13339	1.1
221.06630	2.0
223.13377	5.7
224.13911	0.6
225.14975	1.0
231.21039	0.6
235.08191	4.3
247.20618	2.2
253.09279	1.1
256.13174	1.8
263.07718	0.9
273.18701	1.7
275.20212	6.8
277.21683	1.1
287.07715	0.9
289.18057	0.7
291.19669	84.4
292.19962	4.3
293.21228	100.0
294.21539	5.0
305.08722	1.0
309.20728	1.3
323.09824	0.9
325.19983	2.4
327.39542	0.5
358.05344	0.5
372.76755	0.5
379.12424	2.0
397.13516	27.9
398.13608	1.7
415.14548	14.7
416.14618	0.6
538.69000	0.5
689.33807	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5744
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	4.2
74.11925	0.5
81.40839	0.4
82.58579	0.5
83.01266	0.7
83.04886	0.9
92.34360	0.5
96.94157	0.5
96.95906	1.2
97.06493	0.5
113.09551	0.9
116.92780	0.9
121.02837	0.6
121.10122	0.6
125.02319	2.7
125.09629	2.0
127.11190	2.5
129.09117	0.8
139.11191	4.5
155.10634	1.2
156.67496	0.5
163.11224	0.8
169.01360	1.1
169.12244	1.0
171.10187	29.1
172.10507	1.0
181.12231	1.3
183.10204	2.5
183.13803	1.2
185.11765	4.6
197.11827	2.4
199.13326	1.3
201.11308	5.3
207.10242	2.0
209.11781	2.1
211.13332	9.2
225.11296	1.4
227.12894	1.7
242.85988	0.5
253.09229	1.2
267.06824	0.6
275.20175	1.8
293.21234	8.0
294.21548	0.6
311.22284	100.0
312.22644	5.5
383.22620	0.6
419.24359	0.7
508.13300	0.6
617.00208	0.6
637.32617	1.0
655.33551	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5741
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	3.0
71.01260	15.7
72.64808	0.9
72.99169	2.1
73.02822	2.2
73.63295	0.8
77.99165	0.9
78.95782	1.6
83.01255	1.9
83.04899	1.1
84.02073	1.0
85.02827	10.1
87.00768	4.0
89.02318	11.9
95.04812	0.8
96.95897	12.4
97.02841	3.1
97.06465	2.6
101.02317	10.4
106.10450	0.9
113.02338	6.0
116.92731	1.1
118.11904	0.9
119.03392	3.7
125.02352	5.6
125.09601	1.5
127.11111	1.3
131.03316	0.8
137.09639	1.6
138.36044	0.9
143.03406	2.7
149.04486	1.2
155.10654	1.0
161.04460	2.6
165.12749	1.0
169.12282	1.0
169.63673	0.8
171.10181	15.3
178.21469	0.9
179.05486	3.9
181.12103	1.2
183.13780	5.6
185.11797	1.7
191.54182	0.9
195.13794	2.4
197.11713	4.7
209.11809	1.1
211.13338	10.1
212.13911	0.8
221.06749	2.0
221.11815	1.0
223.13176	1.0
227.12898	1.0
229.14397	7.2
235.08211	2.9
239.12862	1.2
251.16431	1.0
277.18939	1.7
277.21747	23.6
278.22122	2.4
287.07684	1.1
291.19653	6.1
293.21225	3.0
295.22784	16.8
296.23190	1.5
305.08734	1.9
309.20755	20.4
311.22354	2.7
327.21765	100.0
328.22174	6.8
396.62650	0.9
397.08359	1.8
397.13510	31.9
398.13861	2.5
415.14587	17.5
416.14740	0.9
587.43347	2.4
675.36078	1.4
707.35205	4.3
725.36267	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	983.5582
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03294	1.6
70.24529	2.3
70.24873	0.6
71.01253	17.5
72.99153	1.7
73.02818	3.1
75.41099	0.5
81.03333	1.4
83.01231	2.3
83.04874	1.2
85.02821	4.4
85.06410	0.6
87.00746	4.0
89.02322	12.7
95.01282	1.1
95.04893	0.8
96.95874	3.3
97.02837	5.7
97.06461	0.6
98.40498	0.5
99.00732	1.1
101.02322	10.7
106.61119	0.6
107.04929	0.6
109.06455	1.0
111.08048	6.6
113.02327	7.8
119.03374	3.1
121.02794	1.1
125.01593	0.5
125.02345	6.3
125.09543	1.0
131.03349	0.9
137.09605	1.4
143.03363	2.3
149.04346	0.6
151.11252	0.7
151.65118	0.6
151.73991	0.6
161.04449	3.1
163.11189	1.2
165.12706	1.6
167.03401	0.6
167.10614	0.6
169.01299	1.1
169.12222	2.5
171.10150	3.6
177.12717	0.8
179.05531	5.0
179.14323	1.4
181.12263	1.9
183.13794	1.3
193.12276	1.0
195.13847	9.3
197.09953	1.2
197.11761	21.8
199.13354	1.6
205.12215	0.6
205.15849	0.7
207.10040	0.6
209.11707	1.5
211.13327	6.4
221.06549	1.9
221.11690	0.7
221.15248	1.1
223.13326	6.3
227.12836	2.2
228.13631	0.9
235.08173	3.5
239.12947	1.0
247.20622	1.4
253.09251	0.9
256.13120	1.3
263.20224	1.1
265.21790	0.6
273.18591	1.3
275.20126	4.7
277.21805	0.9
287.07544	0.9
291.19675	24.9
292.19965	0.9
293.21225	100.0
294.21539	4.7
305.08701	1.0
309.20715	95.1
310.21048	4.0
379.12466	1.8
397.13513	29.9
398.13931	1.0
415.14572	20.2
416.15115	0.9
585.41705	4.0
689.34039	2.1
691.35468	1.9
701.23102	0.7
707.34747	3.5
983.55707	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.449
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99678	1.8
69.03304	1.6
71.01250	23.2
71.58083	1.6
72.99184	2.0
73.02815	6.1
75.00732	4.5
80.20013	1.6
83.01254	2.7
85.02822	16.6
87.00767	7.8
87.04393	2.8
89.02340	3.0
92.65419	1.3
94.58844	1.5
95.01253	5.2
96.95886	3.0
97.02834	4.9
99.00760	17.0
100.42172	1.4
101.02338	8.3
103.03889	1.6
113.02332	12.8
125.02277	2.7
127.03982	1.5
131.03386	4.1
139.00233	2.6
143.03395	3.6
205.07018	2.4
455.31592	2.0
534.22754	1.5
540.89301	1.8
983.44946	100.0
984.45508	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	983.5225
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03318	1.6
70.45809	1.2
71.00881	2.3
71.01253	22.5
72.99187	3.2
73.02818	6.1
75.00756	9.3
78.95776	1.2
83.01249	2.6
85.02830	21.8
85.99953	2.4
87.00755	8.5
87.04413	2.8
89.02330	7.6
95.01253	5.4
99.00758	12.9
101.02315	9.8
103.03896	2.2
113.02332	13.7
119.03329	1.8
125.02308	1.9
131.03400	4.6
139.00301	1.5
143.03357	4.3
163.06041	2.0
205.07060	2.8
234.91319	1.1
282.05719	1.2
396.92404	1.2
584.97778	1.3
729.28015	1.3
899.03833	1.5
965.51428	2.2
983.52216	100.0
984.52588	20.9
991.46210	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5586
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03352	1.8
69.74590	3.2
71.01255	16.4
71.03046	0.4
71.17997	0.4
72.01640	0.6
72.99192	1.1
73.02841	2.4
81.03346	0.8
83.01289	2.1
83.04922	1.2
85.02819	3.7
87.00758	3.5
89.02316	13.0
89.02821	0.8
93.03367	0.5
95.01276	1.3
95.04912	0.6
96.95896	1.0
97.02837	3.8
97.06477	0.6
98.91908	0.4
99.00758	1.5
100.98802	0.4
101.02326	11.7
109.06458	0.5
109.12513	0.5
111.04389	0.5
111.08039	8.0
113.02332	6.8
115.03921	0.6
119.03390	3.4
121.02836	0.6
125.02350	4.9
125.09620	0.5
127.07594	0.8
131.03438	0.6
137.09615	0.5
139.03931	0.6
143.03412	1.6
153.09062	0.5
153.12761	0.6
161.04488	3.1
161.05603	0.5
163.11159	0.8
165.12775	1.4
167.10750	0.6
169.12236	3.4
171.10211	2.1
177.12781	0.8
179.05568	4.8
179.10677	0.9
179.14351	1.5
181.12268	1.3
182.51622	0.5
183.13832	1.1
193.12263	0.6
195.13834	8.4
196.14644	0.6
197.11772	35.0
198.12128	2.1
199.13330	2.0
205.12288	1.0
209.11810	1.4
211.13321	4.7
221.06599	2.1
221.74553	0.6
223.13402	6.2
227.12889	1.6
228.13617	0.7
235.08154	4.5
247.20613	1.0
253.09192	1.1
256.13205	1.5
263.20206	1.9
265.18079	1.0
273.18625	1.0
275.20175	4.5
287.07742	1.2
291.19666	21.9
292.19995	1.6
293.21228	100.0
294.21521	7.5
305.08899	1.4
309.20706	75.8
310.21063	5.3
323.09775	0.6
331.89700	0.5
379.12433	2.3
397.13483	31.0
398.13834	1.9
415.14548	20.3
416.14691	0.9
549.40045	0.5
585.41730	2.7
586.41992	0.9
673.34125	0.6
689.33313	1.5
691.35339	1.2
707.34491	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	981.5452
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03339	2.5
71.01259	23.8
71.58958	2.0
71.59703	1.4
72.99200	2.2
73.02813	2.7
81.03362	1.9
83.01266	3.4
83.04892	2.1
85.02833	6.3
87.00735	6.4
89.02317	17.9
96.95934	2.1
97.02833	3.9
97.06473	2.5
99.00762	2.3
101.02327	16.0
109.06477	2.1
111.08046	6.5
113.02344	7.9
119.03397	6.2
121.02803	1.4
121.06451	1.1
123.04388	1.4
125.01484	1.9
125.02325	9.3
125.09638	1.7
131.03384	1.3
137.09599	1.4
143.03400	3.6
161.04520	3.7
163.11220	3.5
167.10680	2.1
169.01308	1.8
171.10281	2.7
174.28027	1.1
177.12892	1.8
179.05492	6.5
179.14349	1.3
185.11768	3.6
187.81136	1.4
191.14349	3.2
195.13824	8.7
197.11768	16.8
207.10208	2.1
209.11751	10.3
211.13338	4.3
221.06641	1.9
223.13345	7.2
225.11334	2.7
227.12836	3.7
235.08199	4.7
237.11394	1.5
245.19069	8.3
263.20184	3.4
270.29956	1.3
275.20248	4.0
277.21652	1.6
289.18097	40.5
290.18457	2.8
291.19659	38.2
292.20099	2.8
293.21240	100.0
294.21451	5.9
307.19186	36.9
308.19400	2.3
309.20718	35.6
310.21124	2.1
335.79568	1.4
379.12265	2.8
397.13507	37.0
398.13577	1.4
415.14539	21.8
689.33392	2.3
705.33154	2.4
883.46277	2.5
929.75323	1.3
981.55072	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	981.555
Annotation	Unknow
Peak:m/z	Relative Intensity
75.52351	0.2
81.03291	0.4
83.01255	4.6
93.03354	0.4
95.04893	0.9
105.03355	0.6
107.01270	15.9
107.04915	0.9
109.02887	0.5
123.04392	0.8
125.02335	7.2
125.03244	0.5
132.91013	0.3
135.37686	0.3
140.28487	0.3
149.02356	0.6
150.03120	1.3
151.00278	82.3
151.03905	93.3
152.00584	2.2
152.04251	2.3
153.01874	0.3
159.37761	0.3
164.01033	0.6
165.01837	0.5
169.01315	3.8
175.03952	1.0
177.01860	2.7
196.00011	0.9
199.03888	0.6
215.03403	0.6
217.05054	0.6
241.04980	0.7
277.77176	0.3
285.04147	2.4
301.00058	0.4
301.03363	0.6
302.04205	3.1
303.05075	100.0
304.05460	5.6
614.44025	0.3
708.73608	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03331	0.6
71.01266	1.0
81.03329	4.2
83.01263	2.4
85.06437	0.8
87.04396	3.1
89.02319	0.7
93.03361	0.7
95.04919	5.3
97.02841	3.1
99.04390	1.3
107.01268	0.9
107.03553	0.5
108.02047	0.6
109.06471	1.2
111.04418	5.6
121.02835	0.7
122.03641	1.1
123.04434	2.8
123.08124	0.6
125.02336	19.0
127.07558	0.9
137.02354	1.1
140.45462	0.5
143.13039	0.5
149.02338	1.3
149.05956	0.7
150.06789	1.4
151.00304	2.7
151.07578	4.4
153.05460	2.5
154.66513	0.5
163.00337	0.9
163.03929	0.9
165.09131	9.4
166.02608	1.1
167.03426	15.7
167.07024	1.1
169.08615	1.7
175.07419	1.1
178.99800	1.1
191.03409	1.8
191.07147	0.6
193.08708	4.1
195.06546	5.1
205.08681	1.0
207.06633	4.0
208.07376	1.3
209.08188	1.7
215.07080	0.9
219.06612	7.6
221.08156	0.8
230.42937	0.8
233.08163	3.4
236.06775	0.7
237.07660	92.3
238.07965	4.2
243.02979	1.3
249.07643	1.8
251.09224	1.3
255.02975	4.3
261.07678	23.9
262.08099	1.3
267.08771	3.1
271.02481	8.7
272.03036	0.8
279.08765	4.4
291.08774	1.9
299.01709	0.6
300.02740	16.2
301.03467	7.3
339.10776	2.6
357.11841	1.3
399.12955	100.0
400.13327	4.9
429.13763	2.7
463.08847	19.4
463.15488	0.9
464.09155	1.7
519.17188	53.8
520.10956	0.9
520.17621	3.6
654.83051	0.6
927.84174	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.5434
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	1.9
70.16049	1.5
70.16481	0.8
71.01256	17.1
72.17336	0.4
72.99187	1.2
73.02818	2.7
75.00771	0.5
78.95766	0.9
81.03321	1.8
83.01260	3.0
83.04881	1.2
85.02824	4.1
87.00753	4.5
89.02318	13.4
93.03345	0.5
95.01250	1.5
95.04909	1.0
96.95898	5.1
97.02830	3.5
97.06471	3.1
99.00748	1.0
101.02326	12.4
107.04930	0.5
108.18288	0.4
109.06474	1.1
111.00789	0.7
111.04403	0.8
111.08006	0.9
113.02333	7.4
113.09606	0.5
115.03902	0.4
119.03387	3.8
121.02868	0.8
121.06520	0.9
121.10098	0.4
123.04398	2.2
123.08047	1.0
125.02334	5.2
125.09612	4.1
127.03877	0.5
135.08055	1.1
137.09575	2.4
138.80804	0.5
139.03926	0.6
141.01808	0.5
141.09140	0.4
141.12694	0.4
143.03392	2.7
147.08075	0.5
147.13846	0.4
149.05986	0.6
151.11189	0.4
161.04414	3.4
162.08302	0.4
163.07539	0.6
163.11217	5.2
165.12769	1.2
165.57527	0.4
167.10696	0.6
171.10226	0.8
177.12798	1.2
179.05528	4.7
179.14247	0.8
181.12233	1.0
185.04349	0.5
185.11761	4.4
191.10741	0.5
191.14366	5.2
192.14667	0.5
195.13831	7.9
197.11751	0.9
198.07445	0.5
205.12282	0.8
207.10184	3.1
209.09862	0.8
209.11774	11.3
210.12175	0.8
211.13350	3.0
217.15872	0.5
221.06564	1.4
223.13316	5.7
225.11253	1.9
227.12834	0.7
228.13493	0.6
231.21165	0.5
235.08136	3.5
237.11241	3.1
245.19083	10.2
246.07936	0.4
246.19165	0.4
253.09239	1.5
256.13190	1.3
263.07773	0.9
263.20123	2.7
271.16910	1.2
275.20157	4.1
281.21259	1.3
287.07687	1.1
289.18094	45.0
290.18430	2.8
291.19644	2.4
292.19907	0.5
293.21225	100.0
294.18298	0.5
294.21552	6.5
305.08896	1.1
305.17581	0.6
307.19150	43.0
308.19547	2.4
309.20694	1.8
323.09912	0.7
325.20172	0.9
331.19104	0.7
379.12384	1.4
397.13495	28.6
398.13953	1.5
415.14578	14.7
416.14938	0.7
546.62878	0.4
607.25964	0.9
650.73669	0.5
687.32306	1.4
705.33105	2.4
981.54150	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	981.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
69.01567	0.2
71.60297	0.3
76.28880	0.2
83.01278	0.7
85.02822	0.4
92.27296	0.2
107.01285	1.7
109.02834	0.7
121.02855	0.4
123.00823	0.4
125.02345	1.5
133.02858	3.2
134.03619	0.7
148.01614	0.4
149.02301	1.1
151.00285	3.6
151.03886	0.3
161.02351	0.3
163.00253	0.3
165.01947	0.3
169.01355	1.2
175.03911	1.4
177.01836	0.8
183.04495	0.4
184.05156	0.3
185.06075	0.3
187.03893	0.5
188.04662	0.3
191.03529	0.3
199.03996	1.2
200.04805	0.4
201.01857	0.5
211.03923	0.9
212.04778	0.3
213.02075	0.2
213.05476	0.3
215.03563	0.5
217.04993	1.0
226.02724	0.2
227.03481	2.0
228.04132	0.4
229.05081	0.3
239.03448	0.5
241.05095	0.3
243.02879	0.7
255.03043	2.8
256.03738	3.4
257.04498	0.5
268.03781	0.3
269.04547	0.5
271.02518	1.0
283.02533	0.9
284.03278	51.8
285.04041	80.9
286.04419	3.8
297.04095	0.4
300.02789	1.0
301.03622	1.5
316.19620	0.3
327.05353	1.1
429.08224	0.6
433.37665	0.3
447.09286	2.8
489.10400	100.0
490.10748	6.9
490.16580	0.2
517.19135	0.7
650.81500	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.5425
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03319	1.4
70.20809	1.3
70.21222	0.9
71.01254	15.3
71.04897	1.9
72.99171	1.3
73.02831	1.7
75.00748	0.6
75.08664	0.4
80.02549	0.6
81.03337	1.6
82.95292	1.8
83.01257	1.4
83.04922	0.8
85.02819	2.9
87.00765	3.2
89.02316	12.3
95.01250	1.2
95.04922	1.0
96.95901	1.6
97.02824	2.1
98.03625	0.7
99.00751	0.9
101.02325	11.4
107.04891	0.8
109.02808	0.5
109.06475	8.7
111.04398	2.7
111.08034	1.6
113.02330	6.2
119.03378	3.7
120.05670	0.4
121.02813	0.4
123.08049	1.6
125.02330	4.9
127.07536	0.6
131.03397	1.1
135.08066	0.5
141.09190	0.4
143.03412	1.5
143.10646	0.8
145.06479	1.7
149.09645	0.7
151.11195	0.8
161.04420	2.8
167.10663	1.9
169.12167	0.4
171.10190	0.5
177.12689	0.6
179.05548	5.2
179.10663	0.9
179.14349	0.7
181.12196	0.8
191.14314	0.7
195.13852	9.1
196.14441	0.7
205.12260	0.7
209.11777	1.0
211.13359	0.6
221.06630	1.5
223.13335	6.3
225.14850	0.7
228.13664	0.7
235.08197	3.9
235.13237	0.7
245.11639	0.6
245.19141	3.8
251.16541	0.8
253.09308	0.9
256.13153	1.3
263.07727	0.8
271.17126	1.2
273.14990	0.8
275.20157	5.0
276.20178	0.5
287.07733	1.0
287.16501	1.4
289.18103	86.6
290.18497	5.6
291.19675	0.8
293.21225	100.0
294.21582	6.8
297.15295	0.5
305.08798	1.4
307.19147	5.3
309.20840	0.6
323.09888	1.4
379.12430	1.9
397.13516	34.6
398.13895	1.5
415.14590	14.2
416.14890	0.5
456.74884	0.5
565.39404	0.5
636.26868	0.5
669.31104	1.0
673.34302	0.6
687.32568	2.6
688.34058	0.4
691.35455	0.9
722.63794	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06534	2.0
71.36935	0.3
73.02834	0.5
74.81706	0.4
80.37357	0.3
83.01266	0.6
86.58347	0.3
95.91901	0.4
99.04369	0.9
101.02309	0.5
107.01270	1.9
108.02038	0.7
109.02818	1.5
121.02831	2.2
121.03540	0.4
125.02329	1.7
135.00780	0.5
135.70384	0.4
137.12497	0.4
142.79349	0.3
148.01584	0.9
149.02342	0.5
150.99355	0.3
151.00269	9.4
151.54626	0.4
153.01883	0.6
163.00319	1.9
164.01059	0.4
169.01363	0.6
178.99783	5.2
187.03847	0.5
190.32721	0.4
201.05544	0.5
211.03987	2.2
214.02620	0.4
223.78754	0.4
226.02710	1.0
227.03481	2.3
229.04982	0.8
239.03450	1.2
240.04259	0.9
243.02960	4.4
244.03433	0.5
245.04469	1.4
254.02214	1.1
255.02966	15.3
256.03329	0.8
267.02933	0.4
268.03751	8.6
271.02478	30.0
272.02966	1.6
273.03955	1.2
283.02634	1.3
283.06073	12.6
284.06537	0.4
292.52496	0.4
299.02164	0.4
300.02728	54.8
301.03491	39.6
302.03818	1.5
344.46631	0.4
387.20126	1.5
429.21350	0.5
447.09290	100.0
448.09656	5.5
531.24664	2.0
765.36578	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
69.92879	1.9
83.01249	0.5
85.02828	0.9
91.01755	0.3
93.03349	0.9
95.52514	0.3
107.01285	2.0
109.02818	0.7
117.03336	0.4
122.65422	0.3
125.02327	1.1
132.02097	1.1
133.02814	1.1
135.00768	1.3
143.04866	0.5
151.00269	2.7
153.01788	0.5
157.06453	0.3
159.04417	1.1
163.00284	2.1
164.00984	0.7
167.04880	0.6
169.01335	0.6
169.06557	0.4
171.04420	0.7
173.06075	0.4
183.04465	0.7
185.05986	1.5
187.03909	2.5
189.05493	1.2
197.05983	0.8
199.03957	1.5
200.04813	0.4
201.05475	0.6
211.03951	2.0
213.05443	1.8
214.02762	0.4
227.03447	21.4
228.03851	1.6
229.04993	8.7
230.05287	0.5
239.03381	1.4
240.04173	0.8
241.05025	1.3
255.02966	49.0
256.03558	3.9
257.04526	4.9
267.02887	0.6
271.02438	0.6
283.02454	0.6
284.03265	72.0
285.04025	92.4
286.04416	4.5
300.02753	1.0
301.03644	0.7
447.09192	3.0
475.44897	0.4
489.10379	100.0
490.10693	8.5
642.53522	0.4
795.31366	0.4
834.93372	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.5464
Annotation	Unknow
Peak:m/z	Relative Intensity
71.22020	1.5
74.10316	0.5
78.95777	28.6
80.98810	0.6
96.95863	0.6
108.02064	0.5
122.00031	1.0
140.01088	5.6
148.78606	0.5
152.99522	2.6
171.98245	1.5
196.03712	10.5
196.91275	0.6
214.04832	2.9
241.94685	0.6
279.23285	100.0
280.23642	5.9
309.46545	0.6
320.84949	0.6
394.41830	0.5
476.27820	78.9
477.28268	5.6
497.16751	1.1
498.17130	1.0
975.55212	3.2
975.72180	0.6
1000.95270	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.5455
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57444	0.5
71.57977	1.1
78.95777	8.5
84.72071	0.5
129.22435	0.5
140.01080	2.6
148.99358	0.5
152.99518	1.2
169.39294	0.5
171.98253	2.4
196.03703	1.5
212.71027	0.5
214.04800	3.3
223.96207	0.6
246.03432	0.5
279.23285	100.0
280.23596	5.3
476.27826	39.6
477.28220	2.6
479.19785	0.6
497.16666	2.0
498.16907	2.2
777.63776	0.5
811.51654	0.7
975.54657	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	977.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
70.52340	0.2
71.01254	0.8
81.03321	0.6
83.01259	35.8
84.01611	0.4
85.02855	0.3
85.19157	0.2
95.04885	0.3
98.20541	1.0
109.02840	0.4
113.02332	0.3
113.42528	0.3
121.02843	5.4
122.03625	6.9
123.00753	0.4
123.04420	3.4
123.08105	0.4
124.01505	0.4
125.02339	1.2
125.05978	0.5
126.30135	0.3
136.01555	0.3
136.05202	2.0
137.02332	0.8
137.05980	7.2
147.04430	3.5
149.02367	0.6
151.00255	0.4
154.02589	0.5
155.64146	0.3
161.06000	1.5
162.06770	0.8
165.05461	0.3
165.09138	3.7
168.04190	0.6
171.11415	0.3
191.07066	0.7
205.05098	0.4
206.05759	0.3
209.08134	18.4
210.08504	0.9
212.96465	0.3
221.08141	3.8
298.12183	0.6
313.14426	1.6
342.11075	5.8
357.13428	100.0
358.13721	7.0
371.13461	1.5
385.51315	0.3
501.17776	0.9
501.30786	0.3
561.19757	6.2
562.19696	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.4394
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03332	5.9
71.01263	10.0
71.59605	2.8
80.02557	2.5
80.05694	2.4
81.03344	7.5
81.86089	2.4
83.01269	21.6
83.04914	6.5
85.02817	6.2
89.02372	3.7
93.03346	4.3
95.01255	5.4
95.04893	8.2
96.95907	11.3
97.02843	9.3
99.04412	7.7
101.02341	6.2
101.67194	2.5
109.02864	12.4
113.02346	4.1
121.02853	8.9
122.03601	6.0
123.04352	3.0
124.01531	3.2
125.02341	100.0
135.04428	7.3
137.02357	79.7
137.03432	3.5
146.03641	34.5
146.04672	3.7
147.04382	4.5
149.02351	6.1
150.03174	2.7
151.03955	7.9
153.85928	2.5
159.04442	15.2
160.05142	4.8
161.02466	4.4
161.06090	4.2
163.11200	4.9
164.01044	23.2
165.01848	56.8
166.02460	3.2
167.03435	34.4
169.01413	5.4
172.05223	7.7
173.05907	4.3
174.03122	12.5
174.06761	4.6
175.03889	4.9
177.01868	12.0
179.03381	15.4
185.06075	2.6
186.06763	5.9
187.03914	5.9
188.04745	8.7
200.04645	7.0
201.05473	5.6
202.67903	2.8
204.04237	9.5
205.05215	3.0
209.11772	47.6
211.03795	2.9
212.04738	10.5
214.06406	3.1
224.04794	4.0
225.05537	7.8
226.06331	3.8
228.07921	4.1
243.92628	2.8
245.08284	2.5
252.07841	4.9
263.09705	3.3
268.07419	3.8
269.11630	5.8
270.09174	4.6
271.13409	40.1
285.14941	7.1
287.13022	3.6
289.14496	9.5
294.09021	6.5
297.15024	6.5
299.12848	9.0
301.03528	3.5
301.14612	3.7
313.14471	21.0
315.16046	5.2
317.13699	3.4
325.14511	11.6
335.16342	5.3
337.14529	11.1
343.15424	6.4
377.17642	3.9
395.18533	3.7
419.18610	20.6
423.03409	2.9
437.19632	8.9
463.17773	7.3
465.30322	2.6
474.29456	3.1
673.28979	7.0
717.28241	4.3
729.36725	5.0
741.14893	2.9
759.36749	4.1
777.37341	18.9
789.36786	13.6
801.36627	7.3
807.37665	12.1
808.38452	4.2
883.41205	11.5
909.38654	7.4
927.40363	83.2
928.39526	15.9
945.41339	58.1
946.41248	15.8
959.42657	15.0
960.43463	5.8
977.43842	25.2
978.44275	6.4
1005.86176	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	973.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
70.16248	2.3
93.03353	0.8
107.01293	1.4
125.02356	0.5
132.02049	0.8
135.00760	0.5
142.09035	0.4
143.04912	0.6
151.00261	1.2
159.04469	0.7
163.00279	2.1
171.04330	0.6
185.06029	1.7
187.03989	2.7
189.05544	0.9
199.03835	0.8
209.00774	0.6
211.03912	1.1
213.05511	1.3
222.58249	0.5
227.03455	18.0
228.03894	0.9
229.05028	7.2
239.03438	1.3
240.04056	0.6
241.05124	1.0
255.02966	43.0
256.03561	3.8
257.04559	4.9
259.13306	1.5
283.02441	0.5
284.03256	58.7
285.04025	67.9
286.04364	3.1
291.16156	1.1
307.11945	0.8
443.72342	0.5
489.10373	100.0
490.03842	0.3
490.10638	8.0
674.80969	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.6108
Annotation	Unknow
Peak:m/z	Relative Intensity
68.65078	1.0
69.03327	1.9
69.45140	1.2
69.79960	1.2
70.64639	4.4
71.01251	26.4
72.80355	1.2
72.80886	1.1
72.99174	4.6
73.02819	3.7
75.00751	1.4
78.95776	1.7
81.03339	2.1
83.01260	4.3
85.02825	4.3
87.00762	6.8
88.98701	3.0
89.02319	22.3
95.01278	1.7
97.02844	3.4
99.00751	2.4
101.02329	18.7
109.02837	1.6
113.02305	9.0
116.92736	4.2
119.03386	5.5
125.02329	13.0
125.09642	1.9
125.78677	1.3
139.03912	1.8
143.03392	3.3
149.09569	2.0
150.25972	1.1
158.69308	1.2
161.04478	3.9
168.00537	1.2
179.05542	4.0
180.15186	1.1
185.11743	6.9
197.11702	1.8
221.06648	1.7
235.08150	10.9
239.59132	1.3
253.09232	1.8
281.24847	66.8
282.25171	4.5
287.07709	3.5
293.21228	70.8
294.21628	3.8
301.01715	1.4
305.08755	3.3
397.13483	100.0
398.13742	4.3
415.14594	28.5
424.51605	1.2
518.92163	1.3
646.10394	1.3
679.39124	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	971.5224
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03316	0.5
71.01254	12.2
71.04887	0.7
71.57568	0.5
71.58266	0.4
72.99184	1.8
73.02826	2.8
75.29647	0.4
83.01254	2.4
85.02821	7.5
85.99969	0.5
87.00740	1.1
89.02326	3.7
95.01257	0.9
96.95887	0.8
97.02850	0.4
99.00783	0.9
101.02325	9.3
103.03890	1.0
110.38012	0.4
112.01550	1.2
113.02330	4.7
119.03372	1.4
121.25797	0.4
125.02312	0.8
131.03381	3.4
161.04518	0.7
191.75722	0.5
316.86505	0.4
427.35516	0.6
453.33698	2.9
469.32962	0.6
471.28162	0.6
471.34784	10.7
472.35434	0.7
567.36633	0.7
585.37793	2.4
603.38910	4.6
604.39429	0.7
731.43634	1.1
749.44769	30.5
750.45056	4.7
765.44293	2.8
911.50116	100.0
912.50464	20.3
971.46667	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5223
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99696	0.3
69.03316	0.2
69.36546	1.1
69.36968	1.7
71.01252	11.8
71.04882	0.7
72.99181	1.5
73.02824	2.6
78.95770	0.4
83.01263	2.7
83.04900	0.3
85.02824	7.0
85.99966	1.1
87.00744	0.7
89.02313	3.6
95.01244	1.6
95.66810	0.2
96.95850	0.4
97.02855	0.6
98.19978	1.1
99.00764	0.5
101.02319	8.1
103.03904	0.7
112.01557	0.6
113.02332	4.1
119.03387	1.0
125.02348	0.6
131.03371	2.3
133.71651	0.4
143.03426	0.3
143.49463	0.3
161.04416	0.7
179.05579	0.4
196.23866	0.3
201.56613	0.3
314.38846	0.3
338.94550	0.3
342.01831	0.3
351.92978	0.3
411.33096	0.4
447.91089	0.3
453.33801	1.5
471.34778	11.2
472.35110	0.8
567.37183	0.3
585.37933	2.5
603.38977	4.9
604.39203	0.5
639.88519	0.3
731.44415	1.5
749.44757	31.6
750.45123	4.8
765.44287	2.3
766.45087	0.3
911.50061	100.0
912.50500	17.2
971.47070	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5946
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03315	0.9
71.01253	17.3
72.99185	2.0
73.02808	2.5
75.00716	0.8
76.99128	0.4
81.03329	0.6
83.01251	2.1
85.02824	4.3
87.00752	4.0
87.97740	0.4
89.02318	15.1
95.01267	0.9
96.95870	1.0
97.02847	3.0
98.19749	0.7
99.00767	1.1
101.02324	14.2
111.04423	0.4
113.02340	6.9
115.03932	0.5
116.92725	1.3
117.44749	0.4
119.03393	4.6
125.02335	6.5
131.03357	0.8
133.04947	0.5
137.02390	0.5
139.03929	0.5
141.01883	0.4
143.03386	2.8
161.04462	2.9
167.03459	0.6
167.10600	0.6
169.01328	0.7
179.05554	3.4
179.14259	1.1
195.13828	7.5
205.12144	0.6
211.13252	0.6
221.06618	1.2
223.13345	6.0
224.13849	0.4
228.13651	0.9
235.08203	7.5
245.06586	0.4
253.09238	1.7
256.13177	1.4
263.07712	0.7
265.21674	0.8
275.20200	4.6
277.09329	0.5
279.23288	47.5
280.23590	2.2
287.07693	2.6
293.21222	100.0
294.21573	4.8
305.08859	2.9
323.09741	1.0
397.13495	72.8
398.13794	3.1
415.14554	22.7
416.14893	1.0
517.67291	0.5
677.37378	2.1
726.35889	0.5
807.24438	0.4
927.50220	0.4
960.51123	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	35.1
72.99181	4.7
73.02832	0.9
75.00735	0.9
80.13351	0.7
83.01261	1.9
85.02822	8.1
87.00750	3.0
89.02322	37.4
89.73942	0.8
93.01051	0.7
93.03345	4.5
95.01263	3.5
96.11436	0.7
96.95898	1.0
98.19745	1.5
101.02333	14.9
108.02044	1.6
109.02843	2.2
111.55379	0.8
113.02328	12.9
117.03385	1.5
119.03394	17.7
121.02839	7.2
122.03633	16.6
123.00799	1.6
123.04429	2.0
125.02354	6.6
131.03413	2.4
133.02882	3.7
134.03618	1.9
135.04451	1.8
136.01558	8.8
137.02344	5.2
139.00296	1.0
143.03438	3.1
145.02831	3.8
146.03653	3.8
147.04424	1.4
149.02368	22.8
149.04344	1.5
149.05991	2.1
150.03134	100.0
151.00314	4.1
151.03931	17.3
161.02374	4.2
161.04477	3.0
161.06030	2.2
162.03140	29.2
163.00291	1.0
163.03828	1.8
164.04726	5.1
165.01849	2.4
165.05493	83.6
166.02640	9.3
166.05829	2.9
167.03374	1.3
169.01332	2.0
175.03978	1.0
177.01836	2.7
177.05505	18.8
178.02444	0.8
178.05894	0.9
179.03401	0.9
179.03976	0.9
179.05547	8.4
179.07074	3.1
180.04192	6.9
181.04994	8.7
187.03876	1.3
190.06429	0.9
191.03430	1.1
193.04945	0.9
195.06561	76.3
196.06934	2.3
203.43631	0.8
205.05040	2.7
209.11766	2.6
219.06590	1.8
220.07350	2.1
225.07458	0.9
229.30995	0.7
258.52451	0.8
271.83197	0.8
333.51938	0.9
357.11966	1.3
407.68024	0.9
417.15359	4.5
450.98438	0.8
565.20630	13.1
566.21521	1.2
577.20764	5.7
595.21655	13.8
713.26135	2.2
725.25903	1.4
743.27155	4.2
761.28357	3.7
773.28052	3.1
775.28766	1.7
791.28680	4.5
971.35419	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32067	2.8
70.23621	0.2
71.01261	0.7
73.02831	0.6
85.02834	0.3
89.02341	0.4
92.80856	0.3
101.02359	0.6
121.02852	0.4
125.02380	0.3
143.87326	0.3
147.00804	0.6
147.04407	0.3
148.05200	21.5
149.05580	1.0
150.03055	0.4
162.03169	0.4
163.07552	18.5
164.07922	0.7
165.05482	0.5
167.05147	0.3
177.05502	0.3
187.04059	0.3
187.40300	0.3
195.04427	1.0
195.06499	0.5
196.05254	0.4
211.03915	1.0
212.04565	0.6
215.03448	1.1
223.04105	0.4
224.04668	1.5
233.31715	0.3
239.03481	3.7
240.04224	2.2
265.05099	0.9
267.02975	2.3
268.03748	19.1
269.04044	1.1
283.06079	0.8
295.02451	1.0
295.06073	0.9
296.03241	63.5
297.03598	4.3
309.03940	1.1
310.04779	0.4
311.05591	100.0
312.05954	6.7
318.05502	0.5
321.04053	4.4
322.03790	0.4
323.05576	0.5
325.07199	0.3
333.07504	0.6
353.06659	3.0
371.11011	0.3
461.12152	0.3
558.13977	0.3
971.46143	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99678	1.2
69.49234	11.6
70.28273	1.4
71.01257	83.8
72.99187	7.5
73.02822	2.1
83.01254	5.0
85.02836	18.9
87.00754	8.0
89.02322	96.8
93.03339	5.6
95.01270	8.6
96.95846	1.5
97.02825	1.5
99.00726	1.4
101.02328	43.7
108.02043	2.7
109.02876	7.0
113.02344	33.2
116.92757	1.7
117.03341	3.7
119.03396	46.5
119.04827	3.0
121.02855	11.5
122.03644	16.4
123.00754	3.7
123.04473	1.5
124.01566	1.9
125.02341	11.6
131.03400	6.6
133.02888	6.8
134.03648	3.4
135.04391	3.3
136.01563	39.1
137.02374	11.9
139.00269	1.3
139.03894	1.5
143.03435	10.1
145.02869	18.0
146.03654	12.7
147.04395	4.2
149.02365	32.5
149.04477	6.3
149.05865	2.0
150.03140	100.0
151.00301	9.1
151.03928	80.3
151.04898	1.3
151.05177	1.9
152.01044	2.2
152.04247	1.4
153.01773	2.1
160.05151	1.6
161.02364	12.3
161.04460	10.5
161.06007	8.2
162.03146	87.2
163.03685	4.4
164.04733	7.7
165.01862	2.5
165.05496	86.0
166.02628	24.0
166.05840	3.7
167.03377	3.8
169.01369	3.9
175.03947	2.2
176.01099	1.9
176.04616	1.3
177.01881	5.1
177.05496	48.0
177.07042	2.7
178.05818	2.1
179.03473	1.7
179.03784	2.1
179.05571	31.0
179.07057	5.8
180.04233	9.8
181.04985	26.4
184.03764	1.6
187.03912	3.3
191.03511	3.3
192.04138	2.6
193.04997	2.0
195.06577	53.0
196.06877	2.6
205.04999	4.4
207.06569	2.9
219.06456	3.1
220.07303	3.8
269.04590	2.4
271.05771	1.5
289.07245	2.8
299.09177	2.9
357.11862	7.1
387.10587	2.5
387.14896	2.3
401.12625	2.1
402.13248	2.6
416.14673	2.1
417.10135	2.5
417.15506	15.8
535.17200	2.2
549.17291	1.4
563.19379	5.9
564.19708	2.6
565.20825	24.6
566.21136	3.2
577.20819	14.5
578.21362	2.3
595.21759	2.9
613.22821	8.7
654.66547	1.8
725.26105	34.7
726.26184	5.5
755.27454	3.0
773.28217	16.1
774.28333	4.3
802.35706	1.6
923.34015	4.2
971.35504	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	969.4837
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33833	62.2
71.01249	9.9
89.02314	15.5
93.94002	5.5
96.95863	8.2
97.69899	5.6
101.02354	9.8
106.10993	5.2
109.88914	5.7
113.56514	6.6
116.92741	10.8
122.29515	6.0
125.02343	26.9
161.04485	5.9
169.01363	9.6
192.93880	5.4
206.27472	6.8
209.11794	65.4
227.12891	16.2
293.21210	100.0
309.20679	12.6
315.49463	5.5
339.25092	7.4
379.12778	6.1
386.66678	5.4
397.13602	51.9
407.40826	5.6
415.14505	19.9
525.75031	6.4
607.26202	12.1
691.35651	10.7
969.47534	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	971.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
68.06132	0.3
68.92125	0.3
69.37624	3.5
71.01259	3.1
72.99180	0.6
75.00732	0.4
83.01254	2.7
85.02821	2.5
87.00739	0.8
93.03332	1.7
95.01253	2.3
98.19803	0.5
99.00762	0.8
103.00256	0.7
107.01282	7.9
108.02106	0.5
109.02841	6.6
109.99966	1.2
111.00775	5.8
113.02322	2.3
119.01269	0.7
121.01968	0.4
121.02840	7.3
123.00782	1.7
123.04431	0.5
124.98643	0.4
125.02318	1.5
133.02789	0.5
135.00793	0.6
136.98683	1.2
137.02328	2.7
137.99474	0.8
139.00270	14.5
139.03906	1.2
141.01799	0.4
147.04468	0.6
148.01617	0.3
149.02362	3.0
151.00279	26.1
151.03888	0.8
152.00916	0.7
155.04892	0.4
159.04430	1.0
160.59882	0.3
161.02342	0.7
163.00314	3.6
164.01015	1.4
164.98201	1.0
165.01877	0.7
165.99014	2.4
166.99771	9.9
167.04907	0.5
169.01344	2.8
170.03600	0.4
171.04442	1.2
173.05962	0.8
174.03123	0.4
175.02400	0.9
175.03914	1.6
177.01874	0.6
178.98192	0.7
178.99785	14.5
180.00256	0.7
183.04501	2.0
185.00839	0.4
185.02336	0.4
185.06035	0.5
187.03966	1.3
189.05475	0.4
190.99724	0.6
191.03423	0.3
193.01367	0.7
193.03433	2.2
193.98492	1.0
194.99318	4.5
198.03221	0.5
199.03908	4.5
200.04501	0.5
201.01857	0.4
201.05490	1.3
203.03477	1.7
206.99294	2.6
208.00095	2.3
211.03990	1.8
213.01733	0.3
214.02582	0.4
215.03372	0.8
217.04956	0.9
226.02689	0.5
227.03461	4.4
228.04121	0.6
229.05034	1.1
230.02138	0.4
231.02928	2.1
239.03484	0.5
243.02946	3.3
245.04526	4.4
254.02296	0.4
255.02979	5.2
256.03494	0.4
257.04449	0.5
261.04010	0.7
270.99741	0.7
271.02487	9.0
272.03113	0.8
273.04059	3.6
281.00757	0.3
283.02460	1.5
287.02054	1.0
288.02472	0.7
289.03604	0.4
299.01996	11.0
300.02530	0.9
301.03528	64.6
302.03815	3.1
315.01434	0.8
316.01959	2.3
317.03003	100.0
318.03366	4.5
477.06744	40.7
478.07083	3.1
493.06244	59.4
494.06476	3.6
694.14929	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5636
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03325	1.9
69.35630	0.5
71.01255	23.3
71.33715	0.6
72.99173	2.0
73.02821	3.0
75.00751	0.8
81.03295	0.6
83.01254	1.8
83.04871	1.0
85.02827	5.7
87.00758	6.4
89.02322	17.2
95.01271	1.5
97.02846	3.8
98.19779	1.7
99.00787	1.3
101.02321	15.5
101.02984	0.7
109.06472	0.9
111.00733	1.2
111.08041	9.7
113.02345	10.4
119.03391	5.4
125.02338	7.2
127.07552	1.0
131.03464	0.8
143.03398	3.4
151.11169	1.1
153.12746	1.0
161.04463	3.8
169.12270	3.7
171.10184	1.0
179.05516	5.7
179.10695	0.7
181.12222	1.3
183.13846	1.0
197.11760	44.6
198.12131	0.9
199.13292	2.2
209.15425	1.9
211.13359	6.6
217.06999	0.7
221.06587	1.9
225.14943	2.4
235.08188	6.2
247.20508	0.8
251.16481	2.6
253.09166	1.7
263.07617	0.8
263.20096	3.2
265.18228	0.8
273.18491	1.5
277.21722	53.6
278.22034	3.5
279.23276	0.7
287.07727	2.6
289.18314	0.7
291.19678	20.9
292.20020	0.8
305.08685	2.8
307.19043	0.7
309.20703	100.0
310.20947	5.3
323.09607	0.8
346.61710	0.6
379.12585	3.2
397.13504	44.3
398.13852	2.2
415.14532	17.3
675.35400	0.9
689.34229	1.7
707.34827	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5633
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	2.3
70.11116	0.5
71.01250	19.9
71.04885	0.5
72.99188	2.3
73.02827	3.2
81.03337	1.6
83.01259	2.1
83.04890	1.3
85.02815	4.9
87.00752	4.4
89.02316	16.2
95.01269	1.2
95.04926	0.4
97.02823	10.2
97.06464	1.0
99.00716	1.1
101.02322	14.3
109.06438	0.7
111.04394	1.0
111.08026	1.9
113.02322	8.0
113.34614	0.4
119.03390	4.5
119.08491	0.5
121.02848	0.8
125.02334	5.7
125.09589	1.3
129.01796	0.5
131.03392	0.8
133.04837	0.5
137.09601	2.5
139.03903	0.9
143.03392	2.9
151.11131	0.5
152.92923	0.4
154.76447	0.4
161.04457	3.5
163.11154	1.7
165.12794	2.6
167.03427	0.5
169.12178	0.7
171.10162	5.9
179.05521	5.3
179.14107	0.4
181.12265	1.1
183.13776	1.8
193.12215	1.3
195.13799	1.4
197.11787	5.8
199.06041	0.6
207.10239	0.4
209.11732	1.5
209.37422	0.4
211.13292	2.5
217.07092	0.9
221.06587	1.9
221.11690	0.7
223.13406	0.7
227.12808	1.7
229.60805	0.5
233.15442	0.4
235.04338	0.4
235.08157	5.6
239.12814	0.7
245.06584	0.7
247.20607	2.7
251.16463	0.5
253.09329	1.3
273.18610	1.4
275.20209	0.6
277.21710	53.3
278.22128	3.1
287.07715	1.8
291.19656	31.0
292.19992	1.7
305.08618	2.3
309.20694	100.0
310.21048	6.3
323.09857	0.9
333.20511	0.7
379.12442	4.2
380.12958	0.5
397.13474	42.1
398.13840	2.0
415.14542	14.4
448.91730	0.5
516.56281	0.4
675.36163	0.9
689.33411	0.9
707.34894	1.4
717.95966	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5638
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	1.1
71.01254	23.8
72.99171	1.9
73.02833	3.6
75.00739	0.8
81.03320	0.8
83.01263	3.2
85.02821	4.3
87.00750	6.4
89.01756	1.0
89.02316	21.2
95.01280	1.3
96.95882	3.0
97.02830	3.4
98.19765	1.4
99.00744	1.7
101.02326	20.6
109.02825	0.8
111.00685	0.8
113.02332	10.6
115.03923	0.7
119.03387	7.2
121.02861	1.7
123.00772	0.7
125.02347	9.8
128.21854	0.6
131.03384	0.7
133.04935	0.9
141.01646	0.7
143.03424	3.0
150.10443	0.9
161.04466	5.1
165.12746	8.0
169.01399	0.9
179.05481	4.0
209.04520	1.3
209.11867	0.8
211.13321	1.1
221.06609	1.3
229.37828	0.9
235.08202	12.0
245.06551	0.7
247.20642	5.2
253.09207	3.1
263.07755	1.1
273.18527	2.6
277.09528	0.8
277.21719	61.0
278.22067	3.1
287.07718	3.8
291.19669	32.3
292.20081	2.3
305.08801	4.7
323.09634	1.2
351.80914	0.6
379.12692	0.9
397.13489	100.0
398.13876	3.8
410.40652	0.7
415.14603	31.7
416.15036	1.4
445.47412	0.7
471.10498	0.6
575.66132	0.7
626.05316	0.7
675.35693	3.1
896.45135	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.548
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03322	1.0
69.60892	2.6
71.01253	15.4
72.99181	1.2
73.02812	2.0
75.00732	0.6
78.95765	0.6
81.03335	0.7
83.01269	1.8
84.19253	0.4
85.02821	3.5
87.00755	3.1
89.02319	12.8
95.01277	0.7
95.04892	0.5
97.02832	2.4
99.00749	0.9
99.04459	0.4
101.02325	10.3
109.06432	0.4
110.31367	0.4
111.00835	0.4
111.04360	0.4
111.08045	6.5
113.02325	5.9
119.03387	3.4
119.04854	0.4
121.02835	0.4
123.08934	0.4
125.02340	4.5
131.03389	0.4
137.09650	0.5
139.03885	0.4
141.01701	1.0
143.03424	2.2
161.04451	2.4
167.10672	2.2
171.10226	0.5
177.12770	1.3
179.05528	4.7
179.10692	1.4
179.14319	0.8
180.11304	0.4
191.46487	0.4
195.13837	12.4
196.14403	0.4
205.12244	0.7
205.15961	0.7
221.06700	1.9
223.13368	4.1
225.14819	0.7
228.13608	0.9
235.08195	4.2
247.20679	1.9
253.09244	0.9
256.13080	0.9
265.21799	0.4
273.18616	0.9
275.20193	4.4
287.07794	0.8
291.19669	80.6
292.20032	5.1
293.21225	100.0
294.21545	5.9
305.08749	1.5
323.09900	1.1
333.20798	0.6
350.06366	0.4
379.12418	3.1
397.13519	31.3
398.13785	1.4
415.14578	12.9
416.14828	0.6
541.29742	0.4
671.32697	2.7
673.34723	1.0
689.33844	6.3
690.34064	0.7
691.35278	1.8
940.36755	0.5
965.52332	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5641
Annotation	Unknow
Peak:m/z	Relative Intensity
67.99648	0.8
69.03333	0.8
69.87639	2.0
69.88058	3.1
70.93463	0.7
71.01255	7.7
78.95790	2.5
85.02825	1.9
87.00738	2.3
89.02325	6.5
96.95895	0.9
97.02834	1.2
98.20477	1.1
101.02297	4.6
113.02338	4.2
119.03371	1.2
125.02301	1.8
128.29901	0.9
131.21504	0.8
143.03445	1.1
152.99496	1.3
161.04443	1.6
164.42706	0.9
171.10246	2.9
179.05478	1.4
195.13823	9.0
200.71674	0.8
205.12320	1.4
211.13304	1.2
223.13361	5.9
235.08171	2.7
243.97604	0.9
255.23233	3.2
256.13162	1.4
275.20074	5.4
293.21231	100.0
294.21472	5.1
309.20667	1.1
383.92569	1.0
397.13553	14.8
415.14520	11.2
483.27377	2.1
569.42200	1.3
691.35303	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	967.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01765	0.8
69.03342	0.7
69.55669	0.6
71.01254	1.9
73.02782	0.6
82.00365	0.5
82.89415	0.5
83.01251	0.6
84.03161	0.5
85.02813	0.8
95.01242	1.2
98.20575	1.5
101.02361	0.6
107.01265	6.1
109.02850	0.6
111.00755	1.0
113.02340	1.2
123.00771	8.3
124.01542	0.8
125.02338	28.6
133.06479	2.3
134.03600	1.1
135.16066	0.7
136.98724	0.7
139.00214	2.2
140.01051	1.2
141.01865	1.5
145.29645	0.6
148.05229	5.5
151.00279	5.3
163.07532	4.8
168.00577	1.7
169.01340	38.9
183.02931	1.4
193.01538	0.6
198.06793	1.1
199.75288	0.7
225.05583	4.5
226.06297	3.7
227.06960	1.3
241.08679	17.6
242.08934	0.9
257.07858	0.7
313.05655	13.4
327.07300	0.8
555.15051	100.0
556.15344	9.8
689.30225	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.6052
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03331	1.5
71.01256	22.4
72.99181	2.1
73.02827	4.2
75.00752	1.1
75.25793	0.8
78.34697	0.8
78.43237	0.8
78.91754	6.9
81.03321	1.2
83.01255	2.7
85.02848	4.3
87.00746	5.7
89.02316	20.6
95.01238	1.8
96.95879	1.4
97.02816	5.2
97.06499	0.8
99.00751	1.8
101.02328	19.2
113.02346	9.3
119.03390	6.2
123.08044	1.0
125.02338	9.8
125.09626	3.4
131.03397	1.1
143.03394	3.4
149.09709	2.2
156.33255	1.0
161.04489	4.5
179.05586	4.3
183.01135	5.3
185.11792	10.0
192.91031	0.9
197.11746	2.5
209.11726	2.3
221.06496	1.8
229.69266	0.9
235.08171	10.8
253.09239	2.2
255.23280	53.0
256.23596	2.9
277.21677	1.2
287.07843	4.0
293.21237	82.3
294.21600	3.9
305.08667	4.0
311.16876	26.6
311.22223	2.1
312.17126	1.4
323.09772	1.3
397.13501	100.0
398.13705	6.5
415.09061	1.6
415.14581	28.9
416.14923	1.8
653.37732	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	965.5333
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01274	0.5
71.37602	0.7
83.04886	0.4
85.02843	0.5
86.43318	0.2
87.00809	0.3
96.95901	0.7
107.11006	0.2
111.08051	1.4
113.71734	0.3
125.02358	1.6
137.02371	0.5
138.30627	0.2
138.88747	0.3
165.12776	20.7
166.13097	1.2
169.01352	0.6
177.01811	0.4
181.12398	0.3
183.13841	91.7
184.14169	3.5
191.10791	0.6
209.11784	7.4
210.12166	0.4
227.12854	100.0
227.92325	0.3
228.13191	4.0
341.23172	0.4
445.21014	0.4
633.90112	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.5476
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	1.4
71.58982	0.7
75.69010	0.4
80.02535	0.8
81.03344	1.1
83.04893	2.7
85.02840	0.6
87.00749	0.6
89.02293	0.5
96.83314	0.5
101.02332	1.0
109.02876	0.5
113.02361	0.6
119.08564	1.9
121.02858	5.6
125.02359	3.1
125.09599	1.5
127.11153	0.6
137.02353	0.5
137.09613	3.4
155.10637	0.8
163.11211	2.2
165.12766	1.6
167.03476	0.5
167.10652	0.6
169.01331	2.3
171.10188	14.5
172.10489	0.8
173.74274	0.5
177.01863	0.6
183.10229	0.6
185.11784	3.6
197.11763	1.3
201.11229	1.0
209.04503	3.4
209.11775	100.0
210.12120	4.5
211.13512	0.7
213.11296	0.5
227.12842	7.6
228.05324	0.5
235.08138	1.3
240.13844	0.6
253.09286	4.6
273.18625	1.3
291.19638	4.2
309.20703	23.5
310.20953	2.1
338.77710	0.6
393.38757	0.5
445.20715	2.9
470.53571	0.5
758.44379	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.6861
Annotation	Unknow
Peak:m/z	Relative Intensity
68.33646	0.3
69.39353	0.4
69.39758	2.8
78.50983	0.5
81.03332	7.1
83.04897	15.2
98.19752	0.7
100.07548	0.7
107.06013	0.5
108.04458	0.6
125.02289	0.4
125.07069	0.9
129.22226	0.4
139.81302	0.3
150.03113	0.4
207.14952	0.9
209.11554	0.3
224.17690	1.8
225.16026	9.1
242.18773	0.6
309.21671	0.5
324.26547	0.6
333.22873	0.9
341.29150	0.7
367.27130	0.9
384.65524	0.4
433.31607	1.6
450.34390	1.0
451.32870	8.0
452.32858	0.4
491.58743	0.4
544.66083	0.4
550.43433	0.6
567.46118	0.8
677.49573	1.0
725.37781	0.4
776.60309	0.7
885.67279	0.5
903.66492	100.0
904.66815	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	961.5379
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	16.7
71.58687	2.2
72.99162	1.3
73.02846	1.7
78.56719	0.9
83.01286	1.7
85.02831	4.3
87.00715	4.7
89.02317	11.1
95.01283	1.3
97.02843	1.3
99.00761	1.3
101.02330	12.5
113.02358	6.1
115.40923	1.0
119.03424	3.0
120.98006	1.0
125.02312	5.9
131.03459	1.1
141.01582	6.6
143.03413	1.9
143.93633	1.0
161.04485	3.4
179.05559	4.4
183.13861	6.4
193.12268	1.6
211.13347	100.0
212.13721	2.2
218.06418	0.8
218.66455	0.9
221.06653	1.2
235.08246	4.8
277.21738	43.7
278.22128	3.3
287.07828	2.4
297.78342	0.9
305.08798	2.2
323.09726	1.7
327.21585	1.3
379.12457	14.4
397.13501	37.7
398.13858	1.3
415.14481	7.2
591.26703	7.4
592.26953	1.1
609.27875	8.1
610.28412	1.1
657.34045	1.1
675.36017	3.1
763.53748	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.506
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99686	1.3
69.03323	1.7
70.15311	1.4
70.15713	0.9
71.01254	29.6
72.99187	3.1
73.02817	9.2
75.00745	14.8
81.54876	0.6
83.01257	3.5
85.02821	25.7
85.29762	0.5
85.67312	0.4
85.99971	2.1
87.00751	11.1
87.04391	3.0
89.02310	7.2
90.04871	0.4
95.01267	5.5
97.02831	0.8
99.00758	15.5
99.04377	0.5
101.01692	0.7
101.02328	10.2
103.03885	2.7
111.00734	0.9
112.01545	1.1
113.02327	15.1
115.00246	0.5
115.03907	3.2
116.92735	2.0
119.03389	2.5
125.02329	1.2
131.03398	5.8
134.58255	0.4
135.31534	0.5
139.00284	1.6
143.03392	7.2
145.04991	1.0
157.01315	1.2
161.04443	1.2
163.06010	1.9
193.08882	0.5
205.07076	3.0
247.08301	0.9
248.83990	0.5
271.92047	0.6
425.34048	1.2
429.03223	0.5
440.54929	0.5
453.33453	0.5
468.92590	0.6
623.06720	0.6
939.49060	1.6
957.50604	100.0
958.50934	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	957.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01784	0.8
68.99687	3.8
70.08663	0.6
70.86800	1.9
70.87124	0.7
71.01257	44.0
72.99162	3.1
73.02813	5.0
73.82371	0.8
75.00746	10.1
83.01247	4.2
85.02824	39.7
85.99957	0.8
87.00760	9.2
89.02312	17.4
95.01257	9.9
95.28618	0.6
97.02804	1.2
99.00763	14.4
101.02326	20.9
112.01572	1.1
113.02329	23.2
113.73196	0.8
115.00234	0.8
119.03381	7.0
125.02313	1.4
129.01865	1.0
131.03375	6.8
139.00264	4.3
143.03368	2.4
149.04507	0.8
157.01395	1.2
159.02826	1.4
161.04451	10.3
179.05612	3.8
196.65794	0.8
221.06606	11.4
263.07843	1.2
443.55606	0.8
457.36829	1.1
615.39069	1.1
652.68945	0.8
671.72784	0.8
742.72388	0.8
749.44482	2.2
878.80042	0.9
897.47235	1.1
911.49872	6.0
912.51746	1.0
939.48730	2.3
957.50623	100.0
958.50751	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	963.5899
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03334	3.2
69.03652	0.5
69.10283	0.5
70.87511	0.7
70.87823	1.0
70.89619	0.5
71.01254	18.7
72.99182	1.5
73.02818	2.0
78.95791	2.3
81.03355	1.3
81.82939	0.5
83.01273	2.2
83.04893	0.8
85.02824	10.3
87.00764	4.4
89.02322	14.6
95.01284	1.8
97.02836	4.7
97.06476	2.1
99.00816	0.9
101.02326	13.0
113.02339	7.6
119.03397	4.1
119.08604	0.5
125.02361	4.7
125.09601	1.1
126.04458	0.6
127.11183	0.9
131.03369	0.8
137.02306	0.6
137.09598	1.2
138.97014	0.5
141.01814	0.8
143.03423	2.7
149.04457	0.5
150.03101	0.5
152.99525	1.3
161.04475	3.0
167.14357	0.6
171.10181	23.3
172.10506	1.2
179.05527	3.6
183.13824	1.2
197.11948	0.8
201.11221	1.2
209.11826	1.3
211.13351	10.5
221.06656	0.6
221.11752	1.5
227.12828	0.6
229.14423	7.7
235.08174	5.6
239.12891	1.4
255.23279	35.9
256.23572	1.7
263.07776	0.5
287.07864	0.8
291.19681	2.8
300.62448	0.6
305.08850	1.8
309.20694	6.9
327.21762	100.0
328.22153	5.0
379.12515	0.9
397.13516	53.8
398.13864	2.0
415.14554	15.4
565.44800	1.4
635.80219	0.6
653.37451	4.2
707.34875	4.1
708.35645	0.6
725.35645	2.9
727.23267	0.8
927.05035	0.6
963.44830	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99696	2.7
70.58980	1.2
71.01257	31.9
71.57992	1.5
72.99178	4.5
73.02821	8.7
75.00747	14.6
83.01253	2.8
84.04659	1.2
85.02824	25.8
85.03339	1.3
85.56281	1.3
85.99982	2.4
86.03087	1.5
87.00742	13.0
87.04389	2.7
89.02319	6.2
95.01271	4.1
96.95867	1.9
98.20308	1.4
99.00755	16.8
99.04394	1.6
101.02331	11.4
103.03886	3.6
113.02326	15.3
115.03881	1.6
119.03386	2.3
125.02345	1.6
131.03391	5.9
139.00278	2.0
143.03407	6.8
157.01320	3.1
163.06065	1.9
205.07130	4.0
252.04222	1.5
267.06586	3.5
494.72803	1.6
955.49042	100.0
956.49548	14.8
969.74792	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.538
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03333	1.4
70.16505	2.4
71.01257	16.1
72.99184	0.9
73.02808	2.2
75.00761	0.6
78.95785	0.7
81.03312	1.1
83.01260	2.2
85.02855	4.1
87.00743	4.0
89.02318	12.3
91.03840	0.6
95.01281	0.7
96.95910	3.9
97.02827	2.6
98.19884	1.1
99.00735	0.8
101.02327	11.4
111.04359	0.5
113.02320	7.7
119.03389	3.6
125.02337	6.7
131.03464	0.6
133.01427	0.6
134.26091	0.5
137.02347	0.6
139.03940	0.6
141.01617	0.8
143.03404	1.4
149.04454	0.7
161.04489	3.2
179.05544	3.9
183.13855	5.1
193.12273	1.6
199.06009	0.7
210.28471	0.5
211.13341	100.0
212.13741	2.5
217.07167	0.7
221.06575	2.1
225.11165	0.7
235.08215	5.0
253.09354	1.0
277.21719	57.2
278.22095	2.2
287.07697	2.0
291.23291	0.6
305.08765	1.5
323.09775	1.3
379.12503	13.0
397.13492	46.6
398.13901	1.6
415.14508	8.9
591.26642	7.2
609.27576	5.1
657.35284	2.8
675.36157	4.2
869.49847	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99676	2.0
71.01255	40.1
72.99191	2.3
73.02817	7.1
75.00746	10.1
78.95779	0.8
79.92576	0.7
83.01260	5.1
84.02037	1.1
85.02826	39.3
85.99978	1.5
87.00764	8.0
89.02320	12.3
95.01266	10.8
96.44482	0.6
97.02834	0.9
98.19684	1.7
98.20396	4.9
99.00760	11.8
101.01688	1.4
101.02322	17.9
113.02331	21.6
119.03397	4.4
125.02348	1.6
129.01831	1.4
131.03398	6.5
139.00238	3.3
143.03403	2.1
157.01375	0.9
159.02863	1.2
161.04454	9.5
179.05521	4.2
221.06612	9.4
233.42105	0.8
263.07892	1.1
311.90625	0.7
390.08444	0.7
597.38605	0.8
615.39728	1.2
763.86151	0.7
883.63593	0.8
939.50470	2.0
957.50616	100.0
958.50946	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	957.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01759	2.9
68.77761	2.9
71.01264	10.4
71.59128	3.9
79.46451	3.1
80.75141	2.5
83.01277	6.3
85.02843	12.4
89.02299	5.5
97.02778	2.4
113.02346	8.3
119.04913	5.5
125.02330	29.6
137.02313	26.7
139.70662	2.4
165.01874	20.8
167.03365	8.0
200.04619	4.5
201.05508	6.0
202.06203	5.8
204.04228	5.7
205.12218	3.2
209.08101	9.1
215.03406	3.7
216.04303	3.7
217.04887	3.1
225.09143	13.1
229.05003	7.0
230.05807	9.7
243.10262	12.0
245.08086	7.1
253.08638	12.7
267.06946	6.3
269.08124	8.5
271.09695	34.6
281.08105	4.5
299.09277	12.6
311.09354	3.8
333.11371	3.6
343.08643	3.5
351.12442	5.7
375.12210	8.4
419.11392	8.4
437.12405	100.0
437.18347	6.2
438.12552	8.0
467.40326	2.8
481.11423	69.2
482.11536	4.1
499.11908	5.5
541.13519	68.4
542.14185	4.9
722.90826	3.4
853.30194	3.4
908.34833	3.8
913.32648	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	955.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01772	0.1
68.99687	0.1
70.07722	0.2
71.01257	2.7
72.73695	0.0
72.99178	0.3
73.02821	0.2
75.00744	0.4
81.03311	0.1
82.08777	0.1
83.01261	2.7
84.02062	0.1
85.02827	1.5
87.00762	0.4
89.02319	0.1
91.01775	0.4
93.03343	1.3
94.03634	0.0
95.01267	0.7
99.00758	0.7
103.00249	0.6
107.01274	9.0
108.02136	0.3
108.99225	0.1
109.02840	4.4
110.03170	0.1
111.00775	0.2
113.02339	1.7
114.52909	0.0
115.00285	0.2
117.01845	0.2
119.01276	0.7
120.02069	0.0
121.02846	7.9
122.03177	0.2
123.00756	0.2
124.01554	0.1
125.02333	0.3
129.01825	0.1
129.07010	0.0
129.89088	0.0
131.04930	0.1
133.02852	0.2
133.06425	0.0
135.00784	0.7
135.04381	0.1
136.01602	0.1
137.02348	0.2
139.00276	0.0
139.03920	0.6
143.04941	0.2
145.02881	0.1
145.06406	0.1
146.03673	0.1
147.00801	0.2
147.04433	0.2
148.01550	0.4
149.02347	1.3
151.00279	32.1
152.00600	0.9
153.01843	0.1
155.04918	0.1
156.05684	0.0
157.06479	0.2
158.03664	0.1
159.04431	0.8
161.02382	0.4
161.05960	0.2
162.03156	0.1
163.00290	4.9
163.03879	0.4
164.01079	0.6
165.01897	0.3
167.04903	0.5
168.05739	0.0
169.01360	2.2
170.01669	0.1
170.03679	0.1
171.04396	0.3
173.02310	0.1
173.05981	0.5
174.03120	0.1
175.00270	0.1
175.02393	1.2
175.03928	0.5
177.01839	0.1
177.05453	0.1
178.99786	14.7
180.00159	0.4
182.03612	0.1
183.04451	0.9
184.05222	0.1
185.02374	0.1
185.06029	0.4
186.03122	0.1
187.03920	0.9
189.01881	0.1
189.05502	0.3
190.99805	0.5
191.03337	0.1
192.00584	0.5
193.01382	0.8
193.03189	0.1
195.04460	0.2
196.00183	0.1
196.05270	0.1
198.03093	0.1
199.03877	0.4
200.04674	0.2
201.02071	0.1
201.05502	1.3
202.02443	0.1
202.05746	0.1
203.03467	0.5
204.03899	0.0
205.05019	0.2
210.03140	0.1
211.01897	0.1
211.03943	2.4
212.04590	0.3
213.01814	0.3
213.05316	0.2
214.02588	0.3
215.03482	0.3
216.04140	0.1
217.05028	0.2
226.02605	0.1
227.03473	1.9
228.04164	0.4
229.05026	1.8
230.02197	0.2
230.05324	0.1
231.02930	0.2
239.03459	0.8
240.04236	0.4
243.02962	0.5
245.04529	3.3
246.04893	0.1
254.02469	0.1
255.02974	5.0
256.03659	0.6
257.04559	0.7
259.02426	0.1
265.01526	0.1
266.02109	0.4
271.02502	1.1
272.03049	0.3
273.04031	2.4
274.04407	0.1
282.01566	0.1
283.02472	2.5
284.03119	0.3
299.02179	0.2
300.02713	0.7
301.03522	100.0
302.03857	5.7
477.06723	64.7
478.07059	5.3
479.07602	0.1
594.94061	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	955.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01775	1.3
68.99690	1.3
69.95434	1.1
71.01264	6.0
71.56312	1.0
71.58672	1.3
72.99178	2.7
76.73171	0.9
78.37466	1.0
83.01262	5.9
85.02826	6.9
87.99930	1.0
89.02320	1.6
91.01774	1.1
93.03350	3.5
95.01263	3.6
99.00777	2.6
103.00268	1.5
107.01271	13.8
109.02871	5.9
111.00776	3.0
111.75410	1.0
113.02334	7.4
118.10103	1.1
121.02826	5.1
122.87799	1.2
123.00788	3.4
124.01572	1.6
125.02333	9.9
133.02835	1.3
135.00761	1.2
137.02338	11.1
139.00269	4.4
140.15718	1.1
143.04926	1.6
145.02852	1.3
147.04454	1.7
149.02373	1.2
151.00288	36.4
152.01071	7.7
153.01854	9.9
155.04866	1.1
157.02834	1.2
159.04407	1.8
163.00279	6.5
164.01076	2.5
165.01840	6.9
165.99117	1.2
166.99744	2.7
169.01369	9.1
171.04485	2.0
175.02412	3.0
175.03934	1.3
178.99771	29.6
179.03355	1.1
183.04466	2.7
185.06003	1.2
187.03973	2.5
189.05573	1.7
190.99783	2.3
192.00591	3.7
193.01476	6.9
193.03435	7.3
194.99280	1.5
199.03912	5.6
201.05489	2.5
203.03448	2.3
206.99292	13.4
208.00079	8.5
209.00864	57.2
210.01189	2.0
211.03981	1.9
215.03505	2.9
217.04887	1.2
227.03413	7.8
228.04073	1.1
229.05042	4.6
231.03102	1.5
239.03516	1.4
243.02950	6.4
245.00801	1.6
245.04506	4.6
251.01849	1.2
255.02930	9.4
256.03625	3.3
257.04480	1.8
271.02448	22.1
272.03043	1.8
273.04056	4.0
283.02478	4.0
284.03299	6.7
285.04004	16.8
286.04364	1.6
287.01953	1.6
289.03534	3.8
299.01941	29.6
300.02560	4.9
301.03540	70.9
302.03821	5.2
315.01501	1.4
316.02072	1.6
317.03024	100.0
318.03452	4.9
385.04095	14.4
461.07468	6.4
461.77972	1.5
477.06769	52.7
478.07092	3.9
493.06253	38.2
493.11755	0.8
494.06604	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	953.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	15.0
71.59641	6.2
82.43076	3.8
83.04912	4.7
83.52245	4.1
87.00726	5.5
89.02314	15.5
96.95892	8.6
101.02320	12.7
113.02302	5.6
116.92744	19.4
119.03389	6.5
125.02341	19.4
161.04457	6.4
169.01320	10.6
171.10158	4.0
171.28665	3.9
177.01756	6.0
179.05400	10.2
194.44600	4.9
197.11737	22.6
209.11754	86.2
211.13239	7.2
227.12830	29.0
235.08148	6.5
291.19632	15.6
309.20679	100.0
309.24170	6.1
310.21234	6.9
328.69550	4.5
379.12405	6.6
397.13477	52.7
415.14563	18.5
513.22858	4.3
612.55011	4.6
707.34674	6.8
953.45319	30.7
954.45264	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	953.5637
Annotation	Unknow
Peak:m/z	Relative Intensity
66.14328	0.1
78.23286	0.2
78.95775	25.9
86.76768	0.2
91.56017	0.2
96.96831	0.3
122.00029	1.0
124.59089	0.2
126.24709	0.2
134.98392	0.4
140.01085	6.3
152.99486	1.9
166.02702	0.3
185.34726	0.2
189.80339	0.2
196.03728	11.6
214.04805	2.5
261.22177	0.5
279.23273	100.0
280.23621	6.2
371.20428	0.2
437.31812	0.2
476.27802	85.6
477.28113	5.9
699.94580	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.564
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33033	1.4
74.45466	0.1
78.95778	6.5
92.77017	0.1
94.18869	0.1
98.19783	0.2
100.24336	0.1
111.88696	0.1
116.39433	0.1
116.92750	0.3
122.00021	0.2
124.92674	0.1
125.02379	0.2
129.65428	0.1
140.01085	2.2
152.99519	0.8
171.00627	0.1
196.03748	1.2
214.04788	2.9
221.12263	0.1
254.63144	0.1
260.14764	0.1
261.22168	0.4
279.23282	100.0
280.23621	6.0
441.45618	0.2
476.27820	49.4
477.28156	3.5
648.33917	0.2
670.78851	0.2
811.45917	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.5839
Annotation	Unknow
Peak:m/z	Relative Intensity
71.07535	0.1
71.58105	0.2
78.95776	57.4
96.96843	6.9
101.45841	0.1
116.92716	0.1
150.97934	2.2
152.99490	100.0
153.99821	1.2
171.00557	4.1
279.23273	1.2
433.23593	35.3
434.23953	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	951.5686
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03328	1.2
69.77044	1.0
69.77448	2.4
70.95681	0.5
71.01254	16.5
72.99192	1.6
73.02828	2.0
83.01274	1.4
83.04900	0.6
85.02819	4.3
87.00755	4.3
89.02321	13.7
89.02837	1.1
91.14590	0.6
95.01262	2.0
95.04871	0.6
97.02813	2.6
99.00762	1.2
101.02322	11.0
111.04356	0.5
113.02334	6.7
119.02622	0.8
119.03365	4.7
125.02315	5.7
131.03423	1.0
143.03369	2.5
161.04425	3.9
171.10225	0.9
179.05545	4.0
179.14374	1.0
183.10168	0.9
195.13841	7.7
196.14328	0.7
205.12193	0.9
209.11847	2.6
211.13351	0.8
217.07069	0.7
221.06586	1.5
223.13350	4.7
225.10670	0.5
228.13460	0.7
228.65611	0.6
235.08224	4.7
247.55977	0.6
253.09270	0.8
256.13126	1.9
275.20184	5.6
277.21716	41.7
278.22153	3.0
283.26352	1.1
287.07913	0.8
293.21225	100.0
294.21594	6.9
305.08823	1.3
321.81653	0.6
323.09586	0.9
379.12476	3.3
397.13525	29.6
398.13904	1.9
415.14548	13.4
416.14987	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.6104
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03332	1.4
71.01254	16.0
72.99192	1.7
73.02808	4.0
83.01263	2.2
85.02850	2.6
87.00755	3.9
89.02314	13.5
91.03911	0.9
95.01259	1.7
96.95856	3.1
97.02842	3.0
99.00735	1.1
101.02340	13.4
113.02330	6.5
113.09576	1.2
119.03440	5.0
125.02364	9.3
131.03294	1.3
133.69324	1.1
134.81448	1.1
138.69592	0.9
143.03442	2.4
161.04442	2.2
169.01266	1.7
171.10187	1.5
177.01692	1.2
179.05479	2.0
181.12186	1.3
195.13843	13.9
209.11739	4.4
217.07164	1.2
235.08179	4.2
246.53029	1.1
255.23280	37.9
256.23596	2.5
263.07483	1.2
277.21735	15.8
287.07614	2.1
293.21292	1.8
295.22791	100.0
296.23111	7.1
305.08740	3.8
397.13495	61.9
398.13718	4.2
415.14578	21.1
461.28333	1.0
488.53568	1.3
653.37207	3.2
785.55322	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.5531
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58202	0.2
76.05541	0.1
78.95776	57.1
96.96839	6.9
97.30766	0.1
100.24678	0.1
104.60252	0.1
150.97906	1.9
150.99854	0.1
152.99489	100.0
153.99823	0.8
171.00557	4.1
184.61333	0.1
188.30193	0.1
277.21695	0.8
297.69485	0.1
377.99597	0.1
431.22003	29.4
432.22327	2.6
581.75269	0.1
766.97778	0.1
925.81805	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	951.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01256	0.4
81.03325	3.7
83.01268	0.8
85.02805	0.4
87.00750	13.2
88.11911	0.3
97.98743	0.2
99.02097	0.3
99.08035	0.9
101.05971	0.8
102.41177	0.2
107.01263	0.4
109.02823	1.0
119.52822	0.2
121.02805	0.3
123.08035	2.3
124.01609	0.4
125.02339	5.9
125.05968	3.5
135.04440	0.2
136.05215	0.7
137.02350	2.0
141.09076	0.3
147.08025	0.9
149.02327	0.9
151.00291	2.3
151.03896	0.7
152.00992	0.6
161.02367	0.5
165.01848	2.6
165.09119	21.1
166.02617	5.1
166.09521	0.6
167.03375	0.9
167.06964	0.3
169.01311	0.8
177.01855	0.6
179.03220	0.5
181.04982	9.2
182.05223	0.3
191.03487	0.6
191.07076	1.8
205.08609	0.3
209.08125	100.0
210.08444	3.8
233.08151	0.8
251.09180	0.7
260.60226	0.3
271.02484	0.6
299.01666	0.3
301.03259	0.8
306.21295	0.3
314.04236	0.4
315.04843	0.3
316.05710	0.3
329.06775	0.4
331.08173	3.5
371.13446	9.9
372.13840	0.7
387.10571	0.3
402.13089	0.6
417.15576	3.1
428.09821	0.3
461.14441	1.5
476.16800	1.1
491.19232	5.1
492.19333	0.4
494.88940	0.4
505.17102	0.5
535.13800	0.4
579.20758	16.5
580.20923	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.6106
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36192	1.3
78.95776	18.3
79.15606	0.2
90.52895	0.1
122.00023	0.9
130.38626	0.2
134.98431	0.4
139.32262	0.2
140.01077	4.9
140.49751	0.1
152.99480	1.7
157.50426	0.2
166.02597	0.4
178.18674	0.2
196.03735	8.9
197.04012	0.2
214.04805	2.0
221.77971	0.1
237.22168	0.2
251.25146	0.2
255.23265	100.0
256.23602	5.7
270.76123	0.2
292.35278	0.1
450.05771	0.1
452.27811	82.8
453.28159	6.4
626.02155	0.2
665.90686	0.2
691.59021	0.2
697.12134	0.2
775.94617	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
70.83222	2.6
71.01250	33.7
72.67942	2.6
72.99174	5.4
73.02816	3.5
85.02826	9.1
87.00768	10.6
89.02310	31.3
90.02625	2.6
95.01262	3.1
96.95867	3.9
97.02828	6.9
99.00741	4.1
101.02331	25.1
113.02336	7.9
113.09615	9.3
116.02837	2.7
119.03413	7.5
125.02316	19.2
131.41098	2.9
143.03403	4.7
154.35864	3.2
161.04491	5.2
171.10201	4.0
179.05545	5.9
209.11813	14.2
210.12198	3.5
211.93152	2.7
235.08185	15.4
255.23305	64.7
256.23688	19.9
277.21677	5.6
293.21216	42.4
294.21515	20.4
305.08795	4.3
397.13474	100.0
398.13779	29.2
415.14700	31.0
416.15094	7.0
563.29065	2.6
654.37665	3.9
799.79242	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	948.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58494	19.7
71.58936	25.9
96.95896	31.1
99.82883	19.4
101.02294	29.5
121.02840	23.8
125.02342	41.2
169.01277	29.4
209.11740	100.0
210.12192	39.7
235.08330	18.2
277.21817	32.0
283.26187	25.0
292.45651	20.8
397.13687	28.3
452.85367	20.9
541.47156	22.5
581.35400	28.6
673.83136	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	949.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
68.88090	9.0
70.95775	7.5
71.01252	39.3
71.58756	17.9
75.02010	7.9
78.95770	20.9
81.03344	9.7
83.01197	9.0
85.02818	18.1
89.02316	21.3
96.95882	64.1
99.00770	8.4
101.02328	28.2
113.02345	11.5
121.02843	9.3
125.02350	43.7
137.02315	21.0
169.01352	23.9
169.21661	9.4
171.10109	10.3
179.05670	9.8
197.11722	32.4
198.71486	7.7
207.10219	11.0
209.11769	32.1
211.13374	38.2
223.13370	83.0
228.35852	7.9
230.06650	8.3
291.19650	23.3
293.21201	18.6
304.66898	8.5
309.20663	100.0
310.21030	8.4
397.13419	70.3
415.14612	22.5
535.46191	9.2
621.27832	20.1
707.34406	19.2
719.15546	9.3
823.44647	10.8
913.48260	17.2
929.25470	12.5
949.45538	72.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.5949
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99678	1.1
69.03310	1.4
71.01254	24.1
71.35519	0.6
72.99184	2.7
73.02824	3.8
75.00749	0.6
78.95753	0.6
81.03330	0.8
82.93913	0.6
83.01268	2.6
83.04926	0.6
85.02813	4.6
87.00754	4.9
89.02319	18.8
91.57117	0.5
95.01268	1.6
96.36581	0.5
96.95890	0.6
97.02818	4.1
97.06488	0.7
99.00779	1.1
100.16349	0.5
101.02328	19.1
109.02891	0.8
111.04432	1.0
113.02333	9.4
113.09607	9.7
119.03383	5.7
121.02827	0.8
125.02331	9.6
128.09038	0.6
131.03406	1.1
139.03928	0.8
139.11160	0.9
143.03392	2.9
149.04355	0.7
149.09605	0.8
161.04475	4.6
167.03366	0.8
167.10652	1.2
167.22752	0.5
171.10048	0.7
177.12895	1.0
179.05507	4.0
179.10699	1.0
195.13811	1.5
207.10210	0.5
209.11754	1.9
210.12239	1.1
215.66275	0.5
217.07233	0.7
221.06660	1.0
235.08183	9.2
245.06760	0.8
249.22156	0.9
253.09192	1.3
255.23268	59.9
256.23651	2.9
263.07654	1.2
275.20078	0.7
287.07767	2.3
288.83871	0.6
293.21222	53.2
294.21542	4.3
305.08743	3.7
323.09915	1.5
379.12390	1.0
397.13498	100.0
398.13654	5.2
415.14569	31.4
416.14963	1.8
653.37378	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	945.5076
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01243	11.8
71.58889	2.5
71.59360	3.0
75.00757	4.4
83.04916	6.8
85.02836	2.6
87.00765	4.1
89.02334	9.0
96.84677	2.5
97.02821	3.1
101.02336	8.2
113.02308	6.1
121.02846	10.8
125.02325	5.8
135.02831	3.4
137.16914	3.0
143.03409	2.7
163.11121	3.9
182.85678	2.6
197.96582	2.4
204.48196	2.2
209.04436	7.1
209.11784	100.0
210.12149	5.2
227.12852	15.6
233.06348	2.5
235.08215	4.3
253.09137	4.5
277.21701	67.8
278.22153	4.5
293.21097	3.5
337.17245	4.2
371.63724	3.1
372.29184	2.8
379.12360	7.5
397.13501	27.6
398.13733	3.3
401.25659	2.6
415.14609	4.8
493.69589	3.2
509.33112	3.0
675.35748	2.6
844.13385	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01255	10.8
71.15335	5.1
73.02798	3.2
78.95780	5.3
83.01270	2.8
85.02811	5.9
89.02309	4.1
96.95906	3.8
101.02328	5.7
113.02341	4.7
125.02307	3.5
131.03378	2.7
202.86880	2.3
296.80621	2.0
297.03036	2.5
471.34579	4.8
552.35876	2.3
553.62500	2.3
603.38934	3.6
681.17273	2.6
736.46484	2.4
749.44952	19.8
911.50208	58.9
912.50580	8.3
947.47821	100.0
948.48102	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	8.3
71.15216	4.3
71.15552	3.6
78.95793	3.1
80.07932	2.2
85.02837	4.5
89.02324	3.8
96.95947	3.0
101.02336	7.6
104.57819	1.9
113.02319	3.8
202.29532	2.4
402.18750	2.7
471.34839	7.8
556.27856	2.6
585.38202	3.8
603.38702	6.1
749.44977	21.0
911.50226	64.4
912.49957	13.9
947.47717	100.0
948.48438	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01749	2.5
69.03331	6.6
70.37467	9.6
71.01272	9.3
77.63389	2.3
81.03350	9.2
83.01260	18.7
83.04889	3.7
84.49637	2.0
85.02831	6.7
89.02311	3.1
93.03336	5.3
95.01267	5.7
95.04909	6.7
96.95912	6.0
97.02866	7.3
99.04395	3.7
101.02339	5.6
107.04926	3.1
108.02103	2.5
109.02833	11.8
111.23147	2.0
121.02850	11.7
122.03602	2.6
123.00793	2.5
123.04418	2.8
124.01646	2.4
125.02339	100.0
135.04433	6.6
137.02344	90.2
138.02739	2.3
146.03642	29.5
147.04359	4.3
149.02379	3.6
150.03091	3.5
151.03886	8.6
159.04449	15.6
160.05208	5.8
161.02338	5.1
161.05997	4.7
163.00276	3.6
163.03894	4.5
163.11240	2.8
164.01068	18.6
165.01857	57.3
166.02208	3.1
167.03433	28.9
169.01372	6.7
170.84378	2.4
172.05240	12.9
173.05949	6.1
174.03194	11.9
174.06795	3.7
175.03909	5.9
176.04662	3.1
177.01830	11.9
178.67537	2.0
179.03429	13.3
185.05948	4.0
186.06763	2.4
187.03983	4.6
188.04718	10.2
189.05441	3.2
191.03383	2.3
196.05269	3.4
200.04753	5.4
201.05464	6.4
204.04169	8.6
209.11806	33.5
211.03966	2.9
211.13321	3.5
212.04680	4.6
213.05389	2.7
225.05479	6.6
226.06323	4.0
227.12878	2.7
237.05281	2.9
239.07135	2.4
248.50142	2.4
251.07022	2.8
252.07924	4.3
255.13925	2.7
263.12561	2.3
268.07568	4.0
269.11850	7.1
271.13379	35.7
283.13586	4.0
285.15118	4.9
288.06439	4.8
289.14532	11.2
294.09033	5.0
295.13419	6.1
297.14987	7.4
299.13016	8.8
301.14603	4.3
313.14453	21.4
315.15982	5.3
317.13977	5.5
325.14395	13.4
331.15411	4.9
337.14401	11.2
343.15567	8.8
353.17538	4.2
355.15216	3.5
377.17514	3.7
393.17163	3.3
395.18661	6.4
419.18674	14.7
437.19592	10.0
463.17667	10.8
481.18747	4.1
567.24628	8.8
591.24420	3.3
632.04260	2.7
673.28772	7.1
717.27631	5.4
758.98145	2.5
759.35382	2.7
777.37372	13.5
778.37494	3.8
789.37201	12.4
790.38074	2.6
801.37421	8.9
807.38367	12.2
865.40387	3.8
883.41449	9.7
901.38330	2.9
909.39923	6.9
927.40216	62.4
928.39740	10.7
945.41309	46.0
946.41730	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	943.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01249	21.0
71.58601	4.3
78.95763	3.6
87.00764	11.3
88.98672	4.6
89.02321	6.6
97.02847	15.7
99.00758	19.6
101.02318	7.7
109.06432	3.9
113.02318	6.2
116.92731	4.4
125.02330	13.9
125.09608	4.9
142.02640	3.0
163.11186	11.4
181.12198	15.5
181.75891	2.8
187.93439	2.8
199.13420	5.3
207.10228	58.9
208.10588	5.2
209.11794	3.0
223.13478	3.5
225.11273	91.4
226.11652	6.3
243.12363	31.8
277.21744	50.9
278.22095	5.4
317.16092	5.5
397.13434	7.1
551.01569	3.5
605.24463	30.7
606.25024	3.7
623.25519	35.3
865.91815	3.5
883.47083	100.0
884.47101	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	941.5116
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01728	0.6
68.99690	1.9
69.03318	1.2
71.01252	30.2
71.37955	0.5
72.01590	0.3
72.99182	3.0
73.02818	8.4
75.00745	14.2
77.89909	0.2
81.03313	0.5
83.01257	3.6
84.02012	0.4
85.02822	26.9
85.99980	2.5
86.03141	0.3
86.96685	0.3
87.00748	10.9
87.03925	0.3
87.04397	3.4
89.02316	5.6
95.01262	5.5
97.02816	0.7
99.00753	15.0
99.04383	0.4
101.02322	11.5
102.02720	0.4
103.03899	1.8
111.00751	0.9
112.01538	1.0
113.02331	15.7
114.02644	0.4
115.00226	0.6
115.03885	3.9
119.03405	1.9
125.02332	1.0
127.03880	0.3
129.01799	0.4
131.02464	0.4
131.03391	5.4
139.00270	1.7
143.02353	0.4
143.03403	5.6
145.04973	0.8
157.01303	1.1
159.02864	0.4
159.47295	0.3
161.04483	0.6
163.06041	1.7
171.41055	0.3
205.07123	2.9
213.84825	0.3
247.08141	0.4
270.70932	0.3
274.06458	0.3
312.07498	0.3
425.34604	0.3
437.34116	0.8
457.36536	0.6
615.38745	0.5
656.36261	0.3
923.50018	1.7
924.49194	0.3
941.51111	100.0
942.51294	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	941.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03324	3.2
71.01250	18.8
72.99220	1.7
73.02821	3.2
73.57346	1.1
76.48119	1.2
82.74748	1.2
83.01244	1.3
85.02809	4.8
87.00735	3.7
89.02310	15.6
95.01273	2.5
99.00787	1.3
101.02316	13.4
113.02328	7.8
114.92085	1.2
116.92702	1.4
119.03387	4.0
120.50326	1.3
125.02336	6.3
131.57092	1.2
137.04723	1.3
143.03343	1.5
161.04456	5.2
166.85081	1.4
167.10696	3.1
179.05513	3.0
179.14326	3.1
182.90462	1.4
195.13837	7.8
205.12294	9.0
211.58870	1.4
221.06651	2.0
223.13338	100.0
224.13716	3.2
235.08186	6.1
277.21698	61.3
278.22083	2.9
287.07666	2.1
305.08649	3.1
323.09744	2.2
379.12506	9.0
397.13513	50.1
415.14572	9.6
603.26685	9.5
621.28265	7.1
675.36011	3.0
881.48682	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	943.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
67.50616	0.5
69.45277	4.5
71.01250	1.2
76.68445	0.5
80.63174	0.5
83.01265	1.1
87.08665	0.6
88.04179	0.7
95.01255	0.9
98.20565	1.0
107.01265	2.6
109.02832	1.8
110.00010	4.5
111.00784	1.6
121.02856	1.5
123.00774	2.0
125.02321	1.6
136.98659	0.8
137.99478	1.8
139.00266	5.9
139.03888	0.7
148.01602	0.7
149.02310	0.8
151.00279	9.4
152.01067	0.8
153.01886	0.6
159.04376	0.8
163.00305	2.2
164.00964	0.7
165.99036	6.7
166.99802	2.7
169.01318	1.6
175.03883	1.2
178.99794	7.7
180.00040	0.8
187.03943	1.0
189.05489	0.8
191.03455	0.6
193.01376	0.7
193.98552	0.7
194.99243	0.8
199.03845	1.2
201.01863	1.0
203.03329	0.9
215.03438	1.4
226.02654	1.0
227.03484	3.2
228.03824	0.7
229.01424	0.8
229.05049	0.7
231.02780	0.7
242.02205	2.9
243.02998	6.4
244.03662	1.3
245.04480	0.8
254.02209	0.8
255.02969	8.1
256.03427	1.1
259.02563	1.4
264.62131	0.6
268.73752	0.7
270.01706	3.6
271.02481	31.3
272.02847	2.9
273.03952	0.9
287.01999	15.3
288.02704	3.1
299.01962	13.1
300.02750	25.1
301.03531	21.2
302.03903	6.1
303.04037	2.2
315.01361	1.2
316.02237	41.7
317.02979	21.5
318.03439	1.0
361.08499	0.7
463.08844	37.5
464.09064	4.0
465.09283	0.8
477.06912	4.6
477.12943	1.0
478.07193	4.5
478.13708	1.2
479.08295	100.0
480.08572	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	941.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46211	5.0
70.46601	0.5
71.01254	0.7
72.39125	0.6
88.01222	0.6
99.21783	0.5
101.02330	0.8
102.11141	0.5
133.02802	0.7
133.06496	12.6
148.05202	9.2
163.07561	8.7
192.04158	0.8
193.05077	0.6
196.05070	0.6
208.05302	1.3
209.06029	1.5
223.03943	1.4
223.05992	1.2
224.04652	1.6
225.05478	1.7
241.08636	1.1
251.03433	1.1
252.04169	2.2
253.05042	23.1
265.05118	0.9
268.03836	2.7
279.02942	0.8
281.04556	100.0
282.04901	5.2
292.23926	0.6
296.03253	11.5
309.04062	0.9
311.05621	23.3
312.05753	1.4
323.05548	1.8
444.03458	0.6
565.09332	0.6
606.31763	0.6
941.49377	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
67.21039	2.1
69.03332	7.1
70.48827	8.9
71.01250	6.0
73.01485	2.4
81.03340	8.4
83.01265	20.9
88.98708	2.3
90.95798	3.0
92.95699	2.2
93.03343	4.3
95.01271	5.8
95.04918	3.1
96.95900	8.0
97.02837	6.1
99.04400	3.8
101.02405	3.0
109.02843	9.8
111.01934	2.3
120.30801	2.4
121.02840	8.8
122.03627	5.8
123.04452	4.1
124.01572	2.8
125.02338	100.0
135.04402	6.6
137.02342	77.6
146.03625	28.4
147.04518	3.0
149.02361	4.4
150.03140	2.7
151.03917	8.4
158.03688	2.5
159.04460	10.6
160.05246	4.9
161.02271	4.4
163.00323	3.4
164.01013	20.3
165.01849	46.3
167.03400	31.3
169.01378	4.1
169.34132	2.3
172.05232	7.1
173.05922	2.8
174.03159	13.1
174.06863	5.2
175.03917	4.0
176.04709	3.4
177.01816	11.1
179.03419	15.3
181.05109	2.8
186.06750	4.4
187.03889	7.1
188.04761	10.9
195.13805	2.7
199.03952	2.7
199.07655	2.3
200.04805	5.9
201.05461	3.6
204.04227	6.7
208.53714	2.2
209.05943	2.8
210.06836	3.0
212.04785	5.0
223.13371	12.3
225.05606	5.9
251.07166	3.4
255.13898	3.5
268.07516	3.3
269.11850	5.6
270.09064	3.6
271.13351	34.9
283.13516	4.3
289.14456	10.8
294.08948	5.3
297.14908	6.3
299.12750	9.6
309.14691	2.5
313.14493	19.7
315.16083	4.5
317.13962	3.2
325.14441	13.5
331.15646	4.3
333.89294	2.6
337.14481	9.6
343.15475	6.5
369.16965	2.8
379.15628	2.6
393.17096	2.7
395.18649	4.8
419.18719	19.6
437.19824	13.3
445.16000	3.2
456.47171	2.9
463.17712	9.5
567.24487	5.8
673.28320	7.9
717.28058	3.9
773.37451	18.1
785.37952	8.9
797.37793	8.8
803.38708	10.9
839.62756	3.3
879.41156	15.9
897.41766	4.5
905.39404	4.5
923.40527	68.6
924.41498	11.5
941.41895	45.5
942.40863	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	943.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
69.42982	1.2
69.43389	4.5
71.01249	1.9
72.48347	0.4
81.03326	3.3
83.01261	1.4
85.02824	2.1
95.04887	0.5
97.02832	0.6
107.01295	2.2
108.93029	0.5
109.37074	0.5
112.51901	0.6
113.02307	1.1
123.00785	1.5
123.04415	18.1
125.02341	20.8
139.00276	0.7
149.02452	0.8
151.00308	2.7
163.04050	0.6
167.03410	43.7
168.00594	1.6
168.03709	0.8
169.01344	20.1
191.03406	3.0
211.02437	3.2
271.04626	2.3
285.04080	5.6
286.04364	0.7
301.03833	1.0
302.03735	1.5
303.04178	1.0
313.05621	12.4
314.05750	0.9
324.05023	0.8
439.08609	0.8
461.07074	1.6
479.07315	0.8
481.09885	100.0
482.10172	9.4
507.02307	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01248	20.4
72.99177	2.4
78.95778	2.9
81.03314	3.1
83.01247	3.8
85.02822	6.2
85.73483	2.1
87.00739	6.2
89.02299	12.2
92.57065	2.1
95.04906	2.6
97.02821	13.0
97.06455	3.7
98.20674	4.8
99.00758	26.8
101.02328	14.8
108.77335	2.1
109.06463	2.7
113.02311	8.1
125.02329	8.8
125.09616	10.7
142.02580	4.0
153.23232	2.3
163.11188	12.5
170.53925	2.3
179.05467	3.3
181.12244	19.2
199.13416	2.8
207.08330	4.4
207.10208	61.2
208.10583	5.2
225.11276	96.6
226.11597	4.0
235.08080	3.4
243.12350	32.5
277.21716	65.2
278.21991	4.5
290.47430	2.2
301.03766	2.6
332.80774	2.7
379.12445	2.9
397.13559	13.6
415.15274	2.4
524.38873	2.2
605.24469	19.5
623.25574	10.2
883.46973	100.0
884.47101	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	941.162
Annotation	Unknow
Peak:m/z	Relative Intensity
66.31902	0.3
69.35445	2.5
69.35853	1.0
71.01251	1.8
75.00736	0.4
83.01260	2.3
85.02807	1.6
93.03313	1.2
94.06550	0.3
95.01255	0.7
99.00725	0.4
107.01275	6.9
109.02840	2.7
113.02303	0.9
121.02840	6.0
124.01475	0.4
125.02318	2.0
125.04211	0.3
135.00764	0.6
137.02380	0.5
139.03914	0.6
149.02341	0.8
149.96176	0.3
151.00270	26.1
151.77333	0.3
152.00650	0.5
155.04927	0.4
159.04451	0.4
161.02307	1.0
163.00270	3.4
164.01033	0.4
169.01350	3.3
175.02393	1.4
175.03816	0.4
176.32503	0.3
177.01871	0.5
178.99780	13.1
183.04425	0.9
187.03825	0.7
193.01279	0.5
201.05542	1.1
211.03946	1.9
214.02617	0.6
227.03476	2.2
229.05008	1.4
239.03450	0.5
242.02109	0.5
243.02913	0.7
245.04448	3.1
245.09343	0.5
255.03017	3.6
257.04431	0.6
270.01642	0.6
271.02512	3.0
273.04034	2.6
283.02444	2.6
287.01880	1.6
287.05087	0.4
299.01599	0.4
300.02649	0.7
301.03513	100.0
302.03909	3.8
316.02209	7.0
317.02902	1.7
387.21365	0.4
463.08795	7.3
464.09091	0.7
465.45242	0.4
477.06732	64.2
478.07028	3.7
618.10809	0.4
937.62964	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
65.87066	1.0
67.16016	1.1
69.26194	9.6
69.26600	3.1
71.01269	2.5
80.52621	0.9
83.01254	3.2
85.02805	2.2
87.45293	1.2
94.70322	1.3
98.70909	1.0
107.01277	8.3
109.02837	3.2
113.02332	1.8
121.02857	6.6
123.00762	1.8
125.02326	6.3
135.00818	1.5
139.03886	1.1
150.99133	1.7
151.00288	26.1
163.00237	4.1
169.01390	10.0
178.99757	13.8
183.56793	1.1
193.01338	1.5
199.03874	1.2
211.03841	2.5
224.30360	1.1
227.03339	1.7
241.01253	1.4
243.02890	3.7
245.04570	2.6
255.02994	9.7
269.00916	2.5
271.02454	10.9
272.02734	1.2
273.04013	2.1
283.02429	2.3
287.01923	2.0
297.00345	3.9
300.02768	21.9
301.03540	100.0
302.03821	6.1
313.05731	1.6
317.03098	1.3
449.07581	1.6
463.08813	42.7
464.08969	2.2
477.06665	78.3
477.13943	25.6
477.19690	2.1
478.07419	5.1
478.13928	1.3
517.64148	1.3
841.22931	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01255	13.2
83.04915	5.1
85.02811	7.3
87.00729	3.6
89.02332	15.2
96.95912	3.8
101.02332	12.7
108.51010	3.2
113.02332	8.0
119.03400	6.8
119.91557	3.6
125.02360	20.4
161.04454	4.1
169.01328	7.8
171.10260	3.8
179.05496	5.9
201.11252	100.0
209.11784	90.6
210.12022	3.6
227.12897	21.6
229.68428	4.2
235.08232	5.2
277.21707	62.2
278.22040	4.6
287.22556	3.5
306.45193	4.2
323.09723	5.5
379.12601	9.7
397.13470	83.5
398.13474	5.8
415.14706	20.6
581.24603	8.6
589.25208	8.1
599.25391	5.5
607.26648	5.2
675.36066	14.6
859.47070	10.7
939.48413	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.496
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99676	2.4
69.03326	1.7
71.01250	36.9
72.99168	4.6
73.02817	9.8
75.00745	16.8
77.75507	0.6
83.01250	4.7
85.02820	30.9
85.99960	2.2
87.00747	13.7
87.04390	2.4
89.02304	8.1
95.01252	6.4
97.02771	0.7
99.00748	20.7
101.02319	14.0
103.03880	2.5
112.01530	1.9
113.02332	18.8
115.03870	2.9
119.03389	1.9
125.02313	1.0
128.84584	0.6
131.03386	7.9
139.00256	2.2
143.03387	8.1
144.82806	0.7
145.04977	0.9
146.35133	0.6
157.01337	1.3
161.04451	1.0
163.05992	2.8
205.07098	4.0
315.65414	0.6
368.69385	0.6
391.30060	2.3
407.33237	4.5
435.32364	0.8
499.34824	0.6
608.30225	0.6
613.37726	0.8
921.47894	1.6
939.49512	100.0
940.49841	14.1
940.90002	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
65.10826	1.8
65.85886	2.0
69.03325	2.1
71.01259	35.5
72.99217	3.7
73.02826	8.1
75.00753	11.6
83.01255	4.3
85.02828	21.5
85.99949	2.0
87.00759	12.1
87.04401	4.1
89.02329	6.1
90.47250	2.0
95.01302	5.2
98.20549	8.7
99.00760	20.3
101.02312	15.3
103.03876	2.6
113.02339	23.0
115.03924	2.7
125.02326	3.3
131.03398	7.2
143.03400	5.6
184.97366	2.5
331.16809	2.2
437.34418	4.6
613.36652	3.1
939.49554	100.0
940.50183	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	939.6419
Annotation	Unknow
Peak:m/z	Relative Intensity
69.56646	14.2
71.01261	2.6
90.14120	1.8
98.19793	3.7
125.02325	5.1
134.03665	1.8
137.78754	1.9
150.03131	2.2
169.01343	2.2
903.66571	5.7
939.64148	100.0
940.63715	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	939.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00210	0.5
69.41666	2.9
69.42088	1.5
71.01257	4.1
72.99183	0.6
75.00748	1.0
81.86886	0.6
85.02818	4.0
87.00736	1.3
93.03322	1.2
95.01249	1.4
99.00741	1.8
103.00242	0.6
107.01251	1.5
109.02832	1.0
111.00747	1.8
113.02336	5.1
117.01829	0.7
121.02839	1.4
123.00801	0.8
125.02312	0.6
131.04906	0.8
139.00258	0.9
151.00282	5.0
152.01015	0.7
153.01691	0.5
157.06528	0.9
159.04404	1.3
163.00276	0.9
164.98282	0.5
169.01408	0.7
175.02386	1.3
178.99734	2.1
183.04466	0.9
185.05957	0.8
191.90601	0.5
201.05540	3.1
208.00002	0.8
211.03940	2.5
227.03441	1.6
228.04297	0.6
229.05025	4.3
239.03416	2.4
243.02985	1.0
245.04512	1.7
255.02997	4.6
256.03635	1.3
257.04437	1.2
271.02548	1.9
272.02908	1.3
273.04037	0.9
283.02515	4.1
285.04071	11.5
299.02014	1.9
300.02591	3.2
301.03528	100.0
302.03845	4.7
332.83899	0.5
461.07382	2.3
462.07065	0.6
477.06760	46.7
478.07126	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	939.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01747	0.3
71.01254	4.6
72.99155	0.7
73.02773	0.3
75.00748	1.6
83.01234	0.7
85.02826	6.6
87.00720	0.7
89.02275	0.5
91.01772	0.3
95.01255	2.3
99.00758	2.2
101.02303	0.3
103.00262	1.4
103.63595	0.2
107.01223	0.8
107.07638	0.2
108.02042	0.4
111.00718	0.3
113.02332	11.6
114.02636	0.3
115.00220	0.6
117.01805	0.6
118.97598	0.2
124.01491	0.3
125.02276	0.9
129.01797	0.6
135.00761	0.4
148.01538	0.6
151.00290	2.2
152.70502	0.2
163.00288	0.7
164.01045	0.6
169.01273	0.8
175.02391	5.4
175.03889	0.3
177.01799	0.4
178.99739	0.3
187.03989	0.3
199.03941	0.4
200.04735	0.4
211.03917	0.4
212.58742	0.3
215.03372	0.3
219.06522	0.3
226.02623	0.4
227.03418	5.0
228.03941	0.7
243.02971	5.2
244.03578	1.2
246.40178	0.2
254.02127	0.9
255.02972	14.3
256.03580	1.5
259.06088	0.7
271.02469	17.2
272.03183	3.5
273.03406	0.3
284.03253	6.2
285.03970	2.7
287.05692	1.9
299.02045	0.8
300.02740	32.1
301.03076	1.4
302.04196	0.3
315.05096	100.0
316.05420	5.0
447.09280	12.4
448.09723	0.7
491.08325	25.4
492.08438	1.8
534.80884	0.3
758.72400	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.4866
Annotation	Unknow
Peak:m/z	Relative Intensity
68.95718	0.6
69.03318	2.0
71.00890	1.0
71.01257	11.6
71.60617	1.0
72.99179	1.2
73.02806	1.6
73.03189	0.6
80.02560	1.1
81.03329	1.9
83.01258	1.9
83.04906	5.1
85.02827	9.8
87.00761	2.3
89.02323	9.7
90.18090	0.6
93.03292	0.8
95.01265	1.1
95.04886	1.1
96.95896	5.8
97.02834	2.6
97.06472	2.3
97.86706	0.6
99.00797	0.8
99.04428	0.7
101.02338	8.2
109.06503	0.7
113.02328	4.6
119.03393	2.8
121.02849	1.1
125.02336	6.6
125.09607	1.4
126.02721	0.6
127.11179	1.1
128.14000	0.6
135.08015	0.7
137.02327	0.8
137.09589	1.7
143.03413	1.6
150.03053	0.9
155.10722	0.7
161.04468	1.7
161.05836	0.7
163.11150	3.5
165.12766	3.1
167.03403	1.1
167.14348	0.7
169.01353	1.8
171.10185	18.8
177.01851	0.7
179.05571	3.5
183.13850	2.5
185.11780	1.3
191.10719	0.7
201.11337	1.3
209.11778	58.0
210.12111	3.1
211.13336	12.3
221.06505	1.0
221.11729	2.2
225.11340	0.8
227.12846	6.9
229.14427	8.5
235.08180	3.0
239.12762	1.4
253.09375	0.7
287.07809	1.2
291.19574	4.4
305.08759	0.8
309.20709	7.9
310.21103	0.9
327.21765	100.0
328.22159	5.9
397.13501	27.4
398.14117	1.4
415.14603	14.5
416.14865	0.6
467.81598	0.6
519.33295	1.7
607.26379	2.0
707.34869	2.7
725.35907	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	934.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
69.97694	4.8
71.01260	5.2
85.35808	0.9
86.68358	1.0
88.03950	1.2
114.01847	3.3
115.00265	9.1
121.02781	1.5
125.02333	1.0
132.02916	5.7
151.00262	1.8
191.07109	3.3
237.05528	1.0
239.07268	1.4
251.07037	2.8
255.02904	3.6
267.06586	10.3
271.02460	3.8
279.06598	8.9
280.07156	2.0
282.09021	8.3
283.09717	2.3
294.09039	6.7
295.09302	1.1
297.11353	12.9
298.11627	1.2
300.02829	7.0
301.03378	5.1
306.07693	1.9
309.11200	2.9
310.07169	1.8
322.07281	2.9
325.09579	1.8
327.12204	1.2
337.09424	2.6
340.11713	1.6
341.10352	3.2
352.11804	2.7
353.10004	5.6
406.12680	1.3
409.11557	4.1
412.14267	1.2
424.14267	5.0
447.09299	8.8
456.13022	1.9
468.13425	1.0
481.56525	1.1
486.14059	100.0
487.14545	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	933.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
69.47398	8.5
79.77848	1.0
83.38148	1.0
85.02819	1.2
89.43684	1.0
96.95861	1.3
98.19730	1.8
98.20388	2.7
99.71364	1.0
107.11427	1.0
109.37954	0.9
125.02275	1.4
125.08556	1.0
128.49078	1.2
132.01996	1.3
195.69485	0.9
224.04803	1.1
239.03511	3.6
240.04143	1.6
252.04205	1.5
267.02972	3.2
268.03754	42.2
269.04074	1.6
283.06113	100.0
284.06335	5.8
325.07175	6.4
509.43756	1.2
656.07281	1.1
668.67896	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.4696
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03312	4.0
70.02682	7.5
71.01256	70.9
72.99184	2.3
73.02827	12.3
78.95754	2.4
79.95602	2.8
81.03326	3.4
83.01257	7.2
83.04889	5.3
84.02026	1.8
85.02811	12.8
87.00745	11.9
89.02316	30.6
89.02824	3.0
95.01270	4.6
95.04916	4.6
96.95889	90.9
96.96866	3.6
97.02836	13.2
97.06444	3.1
97.53074	1.7
99.00746	3.3
101.02317	25.9
109.02839	2.7
109.06470	8.2
111.08061	3.8
113.02353	17.6
119.03381	7.4
125.02333	16.1
125.09632	8.0
127.11169	4.2
135.08022	2.0
136.05182	1.9
137.02347	2.6
137.09633	2.5
138.02777	1.6
139.03891	1.6
139.07532	3.2
141.01830	2.6
143.03407	5.6
151.11137	2.8
155.10664	3.4
160.86206	2.0
161.04457	4.8
163.11166	8.5
165.09116	2.6
165.12729	6.9
167.03439	1.9
167.10664	3.1
169.01337	2.8
171.10176	56.0
172.10481	2.1
179.05530	10.0
179.10635	3.4
181.12227	7.3
183.13855	2.1
185.11798	4.1
189.09019	2.7
193.12241	2.6
197.11784	21.7
199.13309	2.3
201.11258	46.2
202.11665	1.9
207.10210	26.7
209.11787	43.3
211.13329	14.0
215.12828	4.0
221.06633	3.7
225.11276	57.0
225.14751	3.3
226.11618	2.4
227.12819	11.3
235.08224	9.4
243.12338	5.8
245.19263	1.9
247.20610	3.1
253.09253	2.3
273.18381	2.2
287.07861	3.2
289.18130	12.6
291.19678	32.3
293.21271	5.7
302.03726	1.8
307.19083	8.1
309.20703	100.0
310.21069	4.7
311.29703	1.6
341.23318	25.1
379.12250	4.4
397.13501	54.7
398.13461	3.1
415.14456	24.1
421.14343	2.1
439.14563	4.0
457.15280	2.2
549.56012	2.1
569.24530	3.4
605.24493	6.4
617.10730	1.7
623.25818	9.5
915.46246	9.8
916.46686	2.5
933.46411	9.6
934.45831	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	933.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
70.13366	2.8
71.01252	36.6
71.58330	3.7
73.02809	6.0
78.70612	2.7
81.03332	5.2
83.04916	5.8
85.02835	6.7
87.00772	7.8
89.02297	16.2
96.95872	4.5
97.02810	3.7
100.69212	3.0
101.02345	16.5
109.31648	2.8
112.22065	2.9
113.02335	10.5
125.02323	15.5
163.11229	5.6
169.01357	5.2
169.12276	5.3
171.10219	10.4
183.13832	11.4
195.13858	5.0
197.11653	3.8
201.11229	4.4
207.34605	2.8
209.09874	6.1
209.11783	92.9
209.13777	5.2
210.12123	4.2
211.13312	5.7
223.13394	4.4
225.11281	6.9
227.12790	16.8
235.08316	6.7
247.89824	3.1
272.86835	2.9
275.20053	4.3
291.19763	4.0
293.21240	100.0
294.21548	10.1
307.19055	4.4
309.20605	8.6
360.78339	4.2
379.12415	3.7
397.13507	47.7
415.14597	21.4
770.65210	3.5
933.46533	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	933.4707
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	2.1
71.39918	0.1
71.40231	0.2
73.02837	0.5
75.00766	0.2
83.01271	0.4
84.97948	0.1
85.02831	0.6
87.00745	0.1
89.02335	0.9
95.01282	0.2
96.95943	0.2
99.00761	0.2
101.02303	1.3
105.92189	0.1
109.02885	0.2
113.02341	0.7
119.03410	0.5
119.04906	0.3
121.02857	0.8
121.06546	0.2
122.03639	0.2
123.04391	0.2
125.02332	1.2
133.39613	0.2
134.03658	0.2
135.04413	0.2
137.02318	0.3
147.04451	1.2
148.05205	99.4
149.02383	0.2
149.04361	0.3
149.05536	5.8
150.03156	0.3
150.05780	0.4
157.12346	0.1
159.02873	0.2
161.04463	0.4
163.07558	100.0
164.07889	6.1
165.05499	0.3
165.08115	0.4
169.01320	0.4
172.93533	0.2
175.03960	0.2
177.01862	0.3
177.05501	0.2
179.05573	0.3
193.04961	0.2
203.05582	0.2
235.06052	0.3
301.03564	0.2
359.28125	1.1
367.13983	1.6
397.72015	0.1
399.86520	0.1
413.55484	0.2
514.10242	0.2
520.31738	0.2
521.33264	7.4
522.33472	0.6
637.32672	0.2
750.91010	0.2
821.10266	0.2
889.43683	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
67.96912	8.5
71.01261	21.0
78.95785	11.0
87.00854	9.8
89.02316	14.9
92.48581	8.7
101.02373	13.1
111.75282	9.4
125.02372	13.1
143.03423	13.6
176.40428	9.6
209.11778	100.0
211.13239	20.6
227.12868	29.8
255.23331	67.3
271.94775	8.9
273.50439	9.9
277.21698	11.9
379.12482	20.0
397.13461	90.8
415.14542	14.7
586.21527	9.0
589.24841	15.4
607.26154	10.5
653.37225	18.2
718.04388	12.8
931.51575	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01261	15.3
71.58514	10.0
89.02312	10.8
90.30450	7.1
98.04525	7.2
125.02346	12.8
129.81483	7.6
138.38281	8.5
171.43997	8.4
209.11794	100.0
227.12839	26.2
228.95184	7.9
255.23245	51.5
379.12454	20.7
397.13483	63.6
499.97787	11.5
507.30911	10.7
931.50360	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	931.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01271	7.3
71.36884	3.0
72.99204	3.1
73.02831	1.8
75.00739	2.2
83.01248	2.0
85.02836	5.4
87.00750	2.4
89.02334	1.9
93.03355	3.0
101.02341	1.9
106.90293	1.6
113.02329	5.0
119.01252	7.6
119.04925	1.6
121.02869	10.4
122.42447	1.9
123.00775	3.8
123.04405	1.6
124.01544	3.2
125.02351	17.9
134.03609	2.1
135.04404	5.7
137.02361	6.0
139.00362	1.6
147.00772	5.0
147.04443	1.9
149.02357	32.2
149.06018	1.5
150.03113	6.5
152.00978	1.6
161.02283	1.9
163.03931	8.5
164.04703	26.7
165.01828	3.6
166.02672	2.4
169.01318	5.1
175.00301	34.3
176.00792	1.7
177.01849	4.1
179.07059	5.0
179.84377	1.5
189.01749	1.7
190.02650	97.0
191.03281	5.8
197.54086	1.4
205.05014	100.0
206.05336	5.3
208.03673	2.6
209.11774	1.7
211.04321	1.6
223.06067	38.2
253.05150	4.2
254.05867	3.3
269.08182	29.6
270.05359	8.3
271.05908	1.8
285.07632	26.6
286.08371	3.8
288.99792	1.6
289.07324	1.8
300.09991	23.6
301.10880	6.0
315.08698	3.4
315.12387	58.2
316.12775	4.3
367.10333	75.4
368.10724	4.3
392.13928	1.8
415.67493	2.1
459.16599	4.5
496.95740	1.6
568.10864	2.2
667.91382	1.8
683.23486	72.6
684.23615	11.9
725.24176	7.4
887.30017	6.3
931.40350	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	929.5122
Annotation	Unknow
Peak:m/z	Relative Intensity
65.36623	1.0
71.01257	16.1
71.43792	1.0
72.99172	2.2
73.02837	1.9
77.13060	1.0
78.46765	0.9
83.01263	2.9
85.02837	4.2
87.00759	3.2
89.02313	11.6
95.01238	1.2
97.02792	1.7
98.20560	2.8
101.02324	12.7
113.02347	8.6
119.03416	2.8
125.02345	5.1
143.03395	1.3
146.35881	1.0
159.04131	1.1
161.04482	4.2
179.05553	3.5
183.13794	8.0
188.08847	1.2
193.12216	2.2
211.13345	100.0
212.13708	4.5
232.16513	1.0
235.08229	4.6
253.09384	1.4
277.21738	43.7
278.22058	3.3
287.07642	1.5
295.21408	1.2
305.08640	2.0
311.10968	1.1
379.12537	10.7
397.13525	31.7
398.13336	1.1
415.14621	7.4
591.26489	4.8
609.28284	5.2
675.35541	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.5119
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03328	1.5
70.15475	1.8
70.15874	1.3
70.35062	0.9
71.01258	16.6
72.99164	1.5
73.02822	2.1
75.00752	1.9
81.03374	0.8
82.35555	0.6
83.01249	1.3
85.02836	4.8
87.00755	3.9
89.02324	13.2
95.01248	1.5
97.02821	3.3
97.03409	0.7
99.00771	0.9
101.02334	12.8
111.04384	0.9
113.02333	7.8
117.54574	0.8
119.03383	3.6
125.02319	6.4
139.03880	1.2
143.03416	2.9
161.04459	4.0
179.05563	3.7
183.13844	6.3
193.12265	2.1
211.13344	100.0
212.13690	2.9
217.06949	0.9
221.06583	1.5
235.08214	4.8
253.09161	1.1
277.21729	61.1
278.22037	3.0
287.07849	1.2
305.08856	2.9
323.09821	1.2
379.12448	12.1
397.13510	44.5
397.32166	0.8
398.13803	2.1
415.14560	11.2
427.44489	0.9
591.26715	3.5
609.27972	3.5
675.35950	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.4958
Annotation	Prenylagaramide B
Peak:m/z	Relative Intensity
65.97523	1.3
68.99678	2.2
71.01257	31.7
71.57883	1.7
72.99196	1.8
73.02808	5.5
75.00748	15.1
82.01495	1.2
83.01247	5.3
85.02824	44.6
85.99950	1.4
86.03132	1.3
87.00747	4.9
89.02313	10.3
95.01264	7.5
96.95866	2.0
99.00759	17.1
99.52271	1.3
101.02314	11.1
110.82084	1.2
110.99167	1.2
112.01505	1.7
113.02335	25.3
119.03367	2.4
128.68420	1.3
131.03435	6.8
139.00266	2.5
161.04448	7.3
165.64584	1.3
175.56845	1.3
179.05486	2.2
221.06607	7.2
341.26859	1.4
398.73288	1.5
464.92300	1.5
909.48651	1.7
927.49579	100.0
928.50128	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	927.496
Annotation	Prenylagaramide B
Peak:m/z	Relative Intensity
68.99677	1.6
69.03323	1.2
69.75281	4.5
71.01254	30.0
72.99168	2.6
73.02814	7.7
75.00751	14.9
83.01254	2.8
85.02822	34.8
85.99944	1.8
87.00740	9.5
87.04391	3.7
89.02309	5.3
95.01276	4.6
97.35649	0.7
98.19966	2.1
99.00757	18.4
99.92440	2.8
101.02317	4.3
111.00732	1.1
112.01550	1.2
113.02334	24.6
115.03881	3.2
116.92744	25.6
117.92751	1.8
124.12191	0.7
125.02338	0.9
131.03394	8.6
143.03423	5.3
145.04997	1.4
157.01312	1.5
163.06090	1.4
205.07126	2.4
250.01859	0.9
355.17685	0.8
425.34467	0.9
473.36215	1.8
587.38379	0.8
587.58862	1.0
625.16394	0.9
909.47797	1.2
927.49542	100.0
928.49921	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	929.4754
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03316	13.1
71.01251	53.6
72.99177	7.6
73.02815	9.0
75.00756	7.0
78.95782	26.6
81.03313	7.0
83.01250	8.2
83.04899	13.6
85.02817	14.2
87.00747	10.1
89.01885	4.2
89.02341	40.0
95.04906	4.8
97.02836	18.1
99.00718	9.9
101.02319	36.5
109.02846	5.6
109.06431	5.1
113.02330	18.3
119.03381	12.7
125.02358	23.3
125.09606	6.0
131.72256	3.8
137.02339	4.5
143.03436	6.8
152.99486	8.0
161.04422	7.1
165.12770	7.1
167.03517	4.0
167.10693	5.0
169.01410	5.6
171.10240	10.6
175.11137	4.9
177.12743	9.3
179.05513	14.2
179.10695	4.8
183.13873	6.0
185.11732	7.4
191.14273	5.2
195.13815	13.8
197.11589	5.3
205.12312	7.7
207.10204	7.6
209.11841	25.8
211.13327	17.0
221.06757	6.1
221.11797	52.3
223.13327	63.7
235.08145	9.3
237.14928	14.0
239.12856	100.0
245.19171	10.5
289.18115	34.4
291.19669	42.6
293.21237	20.9
307.19128	28.4
309.20648	67.2
310.20923	6.3
324.88770	4.8
326.20740	4.2
397.13452	52.1
415.14597	21.9
424.44019	5.1
517.73138	4.6
619.26300	8.3
637.27069	9.7
929.45032	14.5
952.25378	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	928.5685
Annotation	Unknow
Peak:m/z	Relative Intensity
64.80437	0.2
78.95776	54.4
79.75809	0.2
96.96846	6.8
96.97476	0.3
98.20579	0.3
136.37233	0.2
150.97925	2.1
152.99490	100.0
153.99831	1.1
171.00571	4.0
185.85161	0.2
211.02748	0.2
255.23177	0.3
279.23306	1.0
378.30856	0.2
433.23590	36.0
434.23932	2.4
444.42648	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01262	4.9
71.60096	1.9
72.99186	2.3
75.00745	1.6
85.02831	4.5
87.00755	92.0
93.03348	2.2
95.01303	2.4
101.02369	1.8
107.01275	1.7
108.02058	2.1
109.02842	4.6
113.02271	2.1
121.02890	6.6
122.03640	9.8
123.00771	4.0
123.04466	2.4
124.01554	1.9
125.02351	13.1
133.02840	2.6
134.03641	1.7
135.04416	3.0
136.01566	3.9
137.02347	19.7
138.03145	2.2
139.00301	2.1
139.03958	3.3
146.03645	2.3
148.01524	1.7
149.02373	25.3
149.05978	2.8
150.03139	65.5
151.00272	26.7
151.03906	8.8
152.01074	3.7
152.04701	3.6
153.01810	1.5
160.01570	1.4
161.02327	3.5
162.03171	1.6
163.03925	3.5
164.01086	1.5
164.04713	9.7
165.01859	37.0
165.05495	63.3
165.76816	1.4
166.02638	81.4
167.03276	5.1
168.04195	2.3
169.01367	4.9
170.01799	1.2
175.03914	1.7
177.01866	6.0
177.05519	2.9
178.02678	1.9
179.03476	10.2
179.07043	7.8
180.04210	25.5
181.04996	100.0
182.05382	2.4
190.02702	1.5
190.06255	1.8
191.03371	4.8
192.04163	2.3
193.04968	4.3
194.05809	2.9
195.02888	3.0
195.06566	57.3
196.06967	1.4
199.04015	2.0
199.23297	1.3
205.05061	5.5
207.06581	4.4
209.04463	3.4
209.08125	3.9
209.11742	5.4
210.05267	4.6
211.06113	3.1
219.06630	1.7
220.07323	2.1
223.06027	1.6
225.07646	12.8
234.05334	1.9
239.69293	1.3
266.83081	1.4
273.60504	1.5
289.07175	1.2
301.07251	1.5
326.89841	1.5
329.10565	2.2
343.11722	6.6
344.12228	1.4
359.11429	3.8
372.12100	2.1
373.12881	26.0
387.10544	16.1
387.14722	3.0
388.11258	1.5
402.13297	12.5
403.14066	9.7
417.15567	62.1
418.16046	4.4
421.15060	24.3
422.15256	1.8
429.15155	3.1
453.21011	1.6
504.16037	3.1
505.17166	39.1
506.17664	2.3
517.17291	14.3
519.18732	3.8
595.21509	7.6
643.24158	6.4
655.23566	2.1
730.24994	10.9
731.25446	2.9
746.01489	2.1
791.29321	2.0
883.41742	3.1
909.31610	3.0
927.31738	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	926.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
65.20568	29.4
70.37190	24.5
71.01268	41.2
141.22528	29.6
149.86354	31.0
159.05241	26.8
171.10226	37.0
209.11758	100.0
230.07677	48.6
243.20412	32.0
348.55157	32.5
407.54276	32.4
627.45502	31.2
768.32202	32.4
796.05634	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
68.03762	1.8
71.01254	5.8
72.99158	2.0
75.00761	1.7
83.01277	2.2
85.02827	4.6
87.00758	84.6
88.01096	1.7
89.02305	2.3
93.03323	6.1
98.19759	3.4
99.00800	1.7
101.02321	2.8
101.62624	1.6
109.02844	7.6
113.02329	4.2
116.92739	2.0
119.04900	1.7
121.02850	8.7
122.03649	13.9
123.00761	3.7
123.04379	5.4
124.01585	3.1
125.02332	19.6
126.10120	1.8
133.02827	3.1
134.03581	2.2
136.01563	2.5
137.02341	24.1
139.03848	2.2
149.02351	24.0
149.05974	1.8
150.03134	100.0
151.00264	24.7
151.03946	13.0
152.01021	3.8
152.04610	1.9
153.01860	1.9
159.04330	2.3
161.02341	4.8
162.03127	3.7
163.03973	1.6
164.01065	1.9
164.04640	5.5
165.01859	48.9
165.05489	90.3
166.02640	66.5
166.05711	3.0
167.03410	6.2
169.01318	6.7
175.03976	4.1
177.01849	8.9
177.05580	1.9
178.02617	2.7
179.03421	10.7
179.07045	7.0
179.10643	2.4
180.04202	34.1
181.04997	85.0
182.05304	3.1
191.03366	3.7
192.04146	2.3
193.04988	3.1
194.05779	2.2
195.02856	2.7
195.06564	81.6
205.05043	3.9
205.08585	1.8
207.06548	3.7
209.04504	2.8
209.08145	8.4
209.11763	10.6
210.05284	6.7
211.05995	2.1
219.52298	1.9
223.09671	6.1
225.07645	20.2
241.05278	2.5
301.03610	2.6
367.04901	1.7
373.12766	6.6
387.10703	16.6
402.13239	12.6
403.13684	5.3
417.10220	3.3
417.15536	44.4
418.15829	3.4
421.15039	13.3
439.75394	1.7
504.16193	3.4
505.17197	36.9
506.17291	3.1
517.17096	6.3
519.18469	2.7
595.21790	7.9
596.21967	2.1
643.23608	10.3
730.24915	6.2
731.25433	4.5
791.28119	2.0
883.40790	1.8
927.32294	17.3
928.32928	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	927.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01262	4.9
71.60096	1.9
72.99186	2.3
75.00745	1.6
85.02831	4.5
87.00755	92.0
93.03348	2.2
95.01303	2.4
101.02369	1.8
107.01275	1.7
108.02058	2.1
109.02842	4.6
113.02271	2.1
121.02890	6.6
122.03640	9.8
123.00771	4.0
123.04466	2.4
124.01554	1.9
125.02351	13.1
133.02840	2.6
134.03641	1.7
135.04416	3.0
136.01566	3.9
137.02347	19.7
138.03145	2.2
139.00301	2.1
139.03958	3.3
146.03645	2.3
148.01524	1.7
149.02373	25.3
149.05978	2.8
150.03139	65.5
151.00272	26.7
151.03906	8.8
152.01074	3.7
152.04701	3.6
153.01810	1.5
160.01570	1.4
161.02327	3.5
162.03171	1.6
163.03925	3.5
164.01086	1.5
164.04713	9.7
165.01859	37.0
165.05495	63.3
165.76816	1.4
166.02638	81.4
167.03276	5.1
168.04195	2.3
169.01367	4.9
170.01799	1.2
175.03914	1.7
177.01866	6.0
177.05519	2.9
178.02678	1.9
179.03476	10.2
179.07043	7.8
180.04210	25.5
181.04996	100.0
182.05382	2.4
190.02702	1.5
190.06255	1.8
191.03371	4.8
192.04163	2.3
193.04968	4.3
194.05809	2.9
195.02888	3.0
195.06566	57.3
196.06967	1.4
199.04015	2.0
199.23297	1.3
205.05061	5.5
207.06581	4.4
209.04463	3.4
209.08125	3.9
209.11742	5.4
210.05267	4.6
211.06113	3.1
219.06630	1.7
220.07323	2.1
223.06027	1.6
225.07646	12.8
234.05334	1.9
239.69293	1.3
266.83081	1.4
273.60504	1.5
289.07175	1.2
301.07251	1.5
326.89841	1.5
329.10565	2.2
343.11722	6.6
344.12228	1.4
359.11429	3.8
372.12100	2.1
373.12881	26.0
387.10544	16.1
387.14722	3.0
388.11258	1.5
402.13297	12.5
403.14066	9.7
417.15567	62.1
418.16046	4.4
421.15060	24.3
422.15256	1.8
429.15155	3.1
453.21011	1.6
504.16037	3.1
505.17166	39.1
506.17664	2.3
517.17291	14.3
519.18732	3.8
595.21509	7.6
643.24158	6.4
655.23566	2.1
730.24994	10.9
731.25446	2.9
746.01489	2.1
791.29321	2.0
883.41742	3.1
909.31610	3.0
927.31738	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	925.5167
Annotation	Unknow
Peak:m/z	Relative Intensity
64.63376	0.7
66.33284	0.7
67.01747	0.9
67.77250	0.7
68.99670	2.2
69.03315	1.7
70.08083	2.7
71.01253	29.2
71.11967	0.7
72.99179	2.4
73.02814	10.2
75.00739	12.7
82.51109	0.7
83.01262	4.8
84.07874	0.7
85.02822	18.5
85.99972	1.7
87.00743	9.9
87.04378	2.9
89.02315	5.7
95.01257	5.3
98.19997	1.3
99.00752	13.0
101.02326	10.8
103.03899	1.9
111.74272	0.7
113.01615	1.1
113.02333	11.1
115.03899	2.7
119.03351	1.2
125.02299	0.9
131.03407	4.6
132.28908	0.7
143.03397	6.0
145.04959	1.7
150.41241	0.8
157.01263	1.2
163.05992	1.6
205.07118	3.6
253.25778	0.7
439.35657	4.7
503.80005	0.7
509.39688	3.1
574.81970	0.8
907.50049	2.3
925.51624	100.0
926.51831	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	925.5368
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01255	100.0
71.59160	4.0
71.59558	5.1
73.02819	4.1
83.01260	3.2
85.02825	5.4
87.00758	6.5
89.02331	15.4
93.62955	3.2
97.02834	5.9
101.02333	12.4
109.06516	4.0
113.02341	7.6
116.02171	3.4
116.92699	2.9
119.03365	5.1
124.88051	3.1
125.02331	8.2
126.69008	2.9
143.03403	4.1
161.04533	6.0
171.10182	42.9
179.05539	6.2
199.09706	9.3
201.11322	8.3
205.18822	3.2
207.10165	14.9
209.11804	11.8
210.12117	5.3
222.84427	3.1
225.11258	11.0
235.08174	8.0
247.06995	2.7
251.51215	3.1
255.23225	7.4
283.26422	57.4
379.12372	4.6
389.98502	3.3
397.13486	37.2
398.13394	5.2
415.14526	11.5
444.45770	3.6
857.38177	3.0
889.52100	6.8
925.54175	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5977
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01276	2.7
74.22272	1.2
87.00741	1.5
89.02306	1.9
95.04890	7.6
96.95896	3.3
121.10110	5.7
125.02333	3.2
137.02234	1.4
149.09615	3.2
167.03375	1.3
169.01305	1.4
171.10161	4.6
184.76100	1.2
201.11285	3.4
209.11629	1.2
225.11330	1.6
227.05943	1.7
275.20096	5.4
277.21667	3.4
281.07068	2.6
293.21335	6.2
294.21658	1.8
307.08444	1.3
335.11847	1.5
338.10739	1.3
381.15735	2.8
397.13281	2.9
403.18149	2.1
459.24329	3.6
466.18808	1.4
485.25876	3.8
503.26733	17.4
504.27264	1.6
607.36823	100.0
608.37103	11.1
625.37885	36.2
626.38434	4.0
919.48755	11.1
920.50085	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01749	0.7
68.99695	2.2
69.03326	1.9
71.01254	26.5
71.06065	0.9
72.99182	3.3
73.02834	2.1
75.00748	16.5
78.95756	0.4
81.03258	0.5
83.01263	3.0
85.02823	17.0
85.87880	0.3
85.99997	0.5
87.00749	3.1
89.02319	8.3
95.01259	5.2
97.02831	4.3
99.00755	15.7
101.02327	11.8
105.54552	0.4
111.00750	0.6
112.01566	0.8
113.02334	12.8
115.00230	0.7
119.03339	1.9
125.02350	5.5
131.03426	0.5
139.00247	1.4
143.03395	0.9
157.01344	1.0
161.04369	0.8
183.94394	0.4
372.96756	0.4
533.22083	0.4
580.31152	0.4
615.95502	0.4
741.41858	0.5
878.62219	0.4
902.02246	0.5
921.48517	100.0
922.48956	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	921.506
Annotation	Unknow
Peak:m/z	Relative Intensity
64.39805	3.0
71.01277	13.5
71.59229	4.2
73.02823	4.1
77.26306	2.6
78.95761	3.1
83.62298	2.5
85.02838	5.5
87.00748	5.4
89.02321	9.9
97.02827	8.1
98.11996	2.5
99.00763	16.9
101.02296	11.4
105.70514	2.7
113.02307	5.9
116.92720	9.3
119.03458	3.2
124.13346	2.4
125.02316	4.8
125.09597	5.2
144.03900	2.6
144.84096	2.5
163.11203	9.2
174.50488	2.5
181.12332	19.3
188.28905	2.8
207.10214	47.4
207.12019	1.8
209.11763	9.7
225.11281	71.7
226.11668	3.3
243.12363	23.0
255.23248	60.1
256.23590	3.3
281.24814	6.7
379.12402	4.6
397.13452	16.2
509.17322	2.8
555.38794	3.0
605.24384	16.5
615.54657	3.6
623.25500	3.4
830.60370	3.9
833.55615	3.2
861.48523	100.0
862.49615	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	923.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00192	0.4
69.45521	2.9
71.01254	6.6
72.99189	0.8
75.00745	2.5
83.01266	0.7
84.24590	0.3
85.02828	7.7
87.00748	1.2
91.01742	0.4
91.72394	0.3
93.03321	1.8
95.01284	3.0
99.00765	2.3
103.00240	1.2
107.01277	2.5
109.02837	1.1
113.02335	11.7
115.00256	0.4
117.01786	0.7
117.03333	0.4
129.01820	0.6
130.04170	0.4
131.04990	0.4
135.00768	1.1
141.07037	0.5
143.04922	1.6
145.02911	0.5
145.06516	0.5
151.00279	1.4
153.01831	0.4
154.04201	0.4
155.04956	0.5
156.05609	0.4
157.06519	1.4
159.04449	2.0
163.00284	2.3
165.01819	0.9
167.04990	0.5
169.01410	0.4
169.06476	0.8
171.04388	0.7
175.02412	5.6
183.04504	0.7
184.05235	0.4
185.05994	2.9
187.03928	4.5
189.05518	1.4
195.04460	1.2
197.06026	1.1
198.03191	0.4
199.03865	0.9
201.05450	0.8
211.03931	1.9
213.05499	2.7
214.02675	0.6
215.03444	0.5
216.92783	0.4
223.03967	0.4
227.03444	3.1
229.05026	13.8
239.03456	1.4
240.04175	0.6
241.04942	1.6
243.03032	0.7
255.03029	1.2
256.03766	1.2
257.04556	6.3
267.03043	1.1
268.03891	0.3
285.04056	100.0
286.04379	4.0
334.52484	0.4
461.07248	35.7
462.07751	2.0
499.20377	0.4
704.69049	0.4
811.56409	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
66.26007	1.3
71.01255	100.0
72.99178	2.7
73.02827	4.9
78.95799	1.6
81.03315	2.5
83.01268	3.1
85.02831	9.2
87.00756	5.8
89.02316	16.8
95.01262	3.0
95.04911	1.6
96.95896	2.8
97.02851	5.9
99.00722	3.0
100.01424	1.2
101.02322	19.6
109.06481	8.1
109.78500	1.2
113.02326	10.4
119.03391	3.3
121.02842	1.3
125.02341	10.5
125.09633	3.3
125.43452	1.4
127.11182	4.5
143.03404	4.8
155.10687	3.6
158.94710	1.3
161.04469	4.1
163.11186	7.0
169.01340	1.4
171.10185	56.8
172.10570	1.7
176.24992	1.2
179.05537	4.9
181.12257	4.7
194.19577	1.2
197.11818	2.0
199.09695	14.8
199.13295	1.9
201.11235	25.5
202.11549	1.1
207.10205	27.9
209.11708	2.1
221.06639	3.9
225.11285	19.6
235.08191	5.0
243.12306	3.3
253.09218	3.1
277.21722	49.5
278.22000	3.3
309.20779	3.1
364.64014	1.4
379.12769	2.9
397.13489	30.6
415.14688	8.2
446.27258	1.3
527.43250	1.5
581.15985	1.5
597.24347	2.0
605.23438	1.9
623.25739	4.0
857.45361	2.3
883.47150	9.4
884.47321	3.6
901.48059	3.1
919.49158	14.2
920.49823	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	919.4917
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03322	2.7
71.01260	100.0
72.01595	2.4
72.99150	1.7
73.02835	3.4
78.95787	1.8
79.95599	2.2
83.01249	2.5
85.02831	5.7
87.00756	5.2
89.02328	16.8
95.01275	2.4
96.95889	4.5
97.02816	4.4
98.19818	5.7
99.00745	2.4
101.02332	17.9
109.06490	3.7
113.02313	6.9
116.92706	1.5
116.94792	1.9
119.03397	5.1
121.02834	2.1
125.02371	12.3
125.09673	2.8
127.11161	1.8
143.03368	2.6
152.99512	1.9
161.04449	3.4
163.11205	5.2
165.01930	2.1
167.92929	1.6
169.01361	2.5
171.10191	57.5
172.10506	2.8
179.05470	3.9
181.12181	2.3
199.09787	12.5
201.11320	18.0
207.10202	18.7
209.11659	3.3
225.11301	15.4
229.77643	2.3
235.08188	5.5
243.12405	3.9
253.09291	2.0
268.70441	1.7
277.21741	49.2
278.22073	3.4
293.21140	4.5
294.21417	1.9
309.20886	2.5
397.13510	29.6
415.14731	8.6
623.25519	3.1
883.47058	6.2
919.49316	16.6
920.48785	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	919.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	2.5
70.02499	2.2
70.02896	2.5
70.28405	0.9
71.01255	100.0
72.01590	1.0
72.99181	2.8
73.02824	3.9
75.00757	1.1
78.95782	1.0
80.96391	1.5
81.03339	1.5
83.01267	2.8
83.04902	1.5
83.83948	0.9
85.02826	6.7
87.00766	6.4
89.02322	14.4
93.03369	1.1
95.01263	1.8
95.04903	1.4
97.02845	4.1
98.19817	1.1
99.00768	3.4
101.02331	17.6
109.06472	5.8
113.02327	10.4
119.03379	4.8
125.02325	7.6
125.09628	3.2
127.11161	2.1
135.08000	1.1
143.03415	3.2
153.09152	1.3
161.02237	0.9
161.04475	3.0
163.11194	3.3
169.01282	1.7
171.10190	44.1
172.10541	2.3
179.05556	3.9
181.08636	2.6
181.12338	1.9
197.11821	1.3
199.09692	11.0
199.13324	1.2
201.11282	17.5
207.10205	17.5
207.11960	1.8
211.13625	1.1
221.06670	1.6
225.11302	12.0
235.08173	6.5
241.44835	1.1
243.12364	2.0
249.14586	1.3
253.09268	1.9
269.61838	1.1
277.09128	1.1
277.21725	61.3
278.21994	3.8
287.07843	1.4
291.19913	1.0
305.08847	1.8
309.71359	1.0
323.22269	1.1
361.11282	1.1
379.12399	4.4
397.13467	39.2
397.18628	2.3
398.13876	2.2
405.22739	1.3
415.14438	9.2
605.23718	2.0
623.25287	2.2
625.71252	1.1
627.56097	1.3
871.03546	1.3
883.47168	9.4
884.46558	2.2
901.47870	2.9
919.48932	13.1
920.49005	1.9
935.01593	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00211	0.4
73.71277	0.2
79.14838	0.2
81.03348	0.4
83.01252	0.4
85.02812	0.2
89.02285	0.2
98.20544	0.6
105.01169	0.2
107.01214	0.5
111.65079	0.2
113.02314	0.5
113.46184	0.2
117.33179	0.2
125.02341	1.1
125.05958	0.6
133.02823	0.4
134.03618	0.4
146.63109	0.2
148.01579	0.2
149.02365	0.3
151.00255	1.0
165.09111	2.8
169.01295	0.3
191.07109	0.2
209.08138	13.8
210.08429	0.5
211.03943	0.3
223.09749	0.2
227.03412	0.6
229.50360	0.3
255.02943	4.9
256.03711	2.0
269.04523	0.5
283.02539	3.4
284.03262	57.4
285.03555	3.1
297.04102	1.0
298.04755	1.4
299.05600	100.0
300.05914	4.4
300.09113	0.3
301.72867	0.2
305.32028	0.2
341.06613	1.6
371.13498	1.5
443.10284	0.4
488.09799	1.4
503.11996	9.1
504.12128	0.5
547.24292	0.4
671.71637	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
69.50523	10.4
71.01254	55.7
72.99185	2.3
73.02818	18.8
83.01254	7.7
85.02824	30.3
85.99958	1.4
87.00782	3.9
89.02308	6.7
95.01254	6.3
97.02832	1.6
99.00745	9.1
101.02322	51.3
101.87415	1.2
102.02666	1.3
109.07011	1.3
111.00846	1.2
113.01611	2.5
113.02332	28.6
119.03377	2.3
125.02334	4.2
129.01794	1.3
143.03397	3.1
159.02902	3.5
161.04475	20.1
173.67029	1.5
195.04436	1.3
211.16904	3.2
239.03470	6.2
246.66254	1.3
254.05841	4.8
262.96866	1.3
267.02945	1.8
282.05341	19.6
297.07648	32.7
298.08035	1.7
355.21222	8.3
373.22311	76.9
374.22653	3.5
410.69562	1.6
415.23373	100.0
416.23712	6.0
429.50864	1.6
952.06433	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33394	1.6
69.56880	16.4
71.01251	45.4
71.63090	1.7
72.99184	2.0
73.02821	15.3
74.98940	1.8
83.01258	6.4
85.02827	22.6
89.02319	5.3
94.26060	1.8
95.01263	4.8
99.00772	7.6
101.02320	33.8
106.03955	1.9
108.20847	1.7
110.43500	1.8
113.02323	22.8
120.95770	1.9
125.02333	3.6
130.98637	2.0
143.03412	3.5
149.15839	1.8
159.02884	3.8
161.04439	18.2
207.35138	1.7
211.16895	3.7
224.55006	2.0
239.03473	4.4
254.05962	2.5
282.05499	10.6
297.07651	19.5
355.21207	5.6
373.22308	71.4
374.22516	6.6
415.23331	100.0
416.23480	8.0
417.21838	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	917.5642
Annotation	Unknow
Peak:m/z	Relative Intensity
70.77934	3.7
71.01262	7.1
78.95796	1.7
79.95611	2.6
85.02820	1.7
87.00764	6.4
96.95924	6.7
101.02328	2.4
106.23785	1.6
114.81024	1.4
120.70008	1.4
121.10120	16.5
125.02331	4.0
125.09634	2.1
130.50548	1.3
139.64537	1.4
171.10199	49.8
185.11826	1.6
197.11800	2.6
200.99461	1.5
209.11790	3.1
211.13304	2.5
231.21144	4.2
247.75941	1.4
275.20166	91.6
276.20541	4.3
293.21249	100.0
294.21628	6.8
309.20654	1.7
328.66125	1.6
335.38565	1.7
359.25995	1.5
387.25348	4.5
397.13248	3.2
415.14395	1.6
620.55560	1.7
623.34528	15.2
690.36896	1.5
714.73944	2.0
847.68579	1.8
917.46881	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	917.5622
Annotation	Unknow
Peak:m/z	Relative Intensity
64.23372	1.8
69.28082	19.7
71.01258	6.1
79.95609	2.8
85.02831	3.4
87.00758	8.4
89.02331	2.0
96.95883	10.2
98.19801	3.2
101.02320	2.6
121.10119	13.2
121.49186	1.7
125.02348	3.9
127.25900	1.6
150.97327	1.7
154.07440	1.8
159.24742	1.9
161.04504	1.6
162.51196	1.7
169.01360	2.3
171.10187	48.5
188.72934	1.9
197.11774	3.0
225.11215	2.3
231.21144	3.3
275.20145	78.7
276.20486	7.2
291.19583	3.0
293.21225	100.0
294.21585	7.5
309.20731	2.9
372.15366	1.9
387.25262	2.7
397.13327	3.5
405.26428	2.2
623.34186	15.2
624.34332	3.2
917.46106	6.9
918.47882	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	917.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	2.9
71.01254	100.0
71.58707	5.6
71.59089	4.2
73.02815	4.3
75.00775	3.7
78.27866	2.9
78.95778	3.1
85.02821	6.0
85.52927	2.7
87.00765	18.2
89.02314	12.0
91.06898	2.8
96.95898	5.0
99.00768	4.5
101.02325	17.2
109.06477	3.9
113.02319	8.8
125.02357	11.9
125.09605	4.6
161.04431	5.8
163.11162	4.6
171.10213	16.0
173.23181	3.0
174.01543	3.6
175.02299	3.6
179.05527	3.6
194.19736	2.7
195.13861	4.6
199.13309	8.9
201.11246	44.3
202.11598	2.8
207.10167	14.8
209.11818	32.5
211.13329	10.4
223.13118	3.5
225.11255	18.7
227.12938	7.0
255.23227	19.1
259.15555	5.3
277.21756	18.9
293.21265	40.5
379.12488	10.3
397.13498	48.4
415.14459	17.4
581.24658	4.2
623.25128	3.8
650.57434	3.5
653.37903	10.6
837.48108	5.6
899.45258	4.7
917.47870	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	917.512
Annotation	Unknow
Peak:m/z	Relative Intensity
63.92105	1.9
69.40611	8.0
69.41032	12.6
71.01257	25.3
78.91759	3.1
80.96395	3.3
81.03322	2.6
83.04918	4.9
85.02822	4.7
87.00748	3.4
89.02318	9.9
91.57015	2.1
95.58113	2.2
97.02854	3.2
101.02319	9.8
113.02322	6.1
124.01453	2.4
125.02335	7.0
129.01819	4.7
135.02942	3.1
161.04507	5.5
171.10156	2.5
179.05522	4.5
209.11781	100.0
210.12064	4.1
221.06625	2.4
227.12823	12.4
235.08237	3.7
277.21744	38.5
291.23404	2.5
293.21262	2.8
360.73730	2.4
379.12357	7.0
397.13550	40.6
415.14658	6.0
485.42667	2.4
737.78241	2.8
917.46930	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	917.5127
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01255	25.1
71.58672	3.1
73.02810	3.6
75.00751	4.2
78.95783	3.9
79.60494	2.5
83.01264	4.4
83.04897	4.6
83.65036	2.4
85.02840	7.3
87.00751	7.5
87.78648	2.6
89.02307	15.5
92.54864	2.2
95.01280	4.3
96.95904	17.9
97.02840	5.9
99.46075	2.2
101.02298	12.6
113.02294	4.0
119.03403	4.9
125.02327	6.5
129.01865	5.1
152.18544	2.7
161.04478	5.5
163.11191	3.6
163.84946	2.8
171.10158	3.3
174.01634	4.5
179.05492	4.7
181.12161	2.9
201.11214	7.1
209.11774	100.0
210.12128	5.2
211.13307	7.6
227.12810	14.8
235.08195	8.1
259.15512	4.4
277.18945	4.1
277.21722	57.5
278.21994	3.3
305.09195	2.7
379.12500	11.0
394.75684	2.9
397.13495	53.0
398.13724	4.1
415.14478	11.7
562.83759	2.8
571.08826	2.9
707.43207	3.6
917.48376	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	917.4755
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	1.5
71.01255	15.3
72.99183	1.4
73.02834	2.6
80.02541	1.3
81.03326	2.3
83.01267	2.1
83.04895	6.7
84.02071	1.1
85.02824	4.7
87.00752	4.7
89.02319	12.9
95.01301	0.8
95.04900	0.8
96.95911	0.9
97.02831	3.5
97.06416	0.5
98.19735	0.8
100.28415	0.5
101.02328	11.3
109.06469	0.8
111.00809	0.5
111.08048	7.4
113.02333	6.5
119.03402	3.9
124.57634	0.5
125.02327	5.2
125.06059	0.6
125.09648	0.5
125.13916	0.5
127.07575	0.8
131.03337	0.7
135.08051	1.4
137.09639	0.6
141.01877	0.5
143.03426	2.4
151.11232	0.6
153.12752	0.9
161.04442	2.7
163.11208	5.8
165.12778	3.6
167.03458	0.7
167.14171	0.5
169.12250	3.4
171.10156	2.8
179.05573	3.6
181.12273	0.9
183.13850	0.8
191.10678	1.3
197.11769	36.3
198.12181	1.4
199.13342	2.0
201.11372	1.1
209.11774	100.0
210.12111	4.1
211.13329	5.1
221.06686	1.6
223.13255	0.7
225.11327	1.8
227.12830	12.4
228.13165	0.7
235.08186	5.8
253.09273	1.2
263.20203	2.3
264.01868	0.5
265.18060	1.3
287.07748	1.6
291.19647	14.7
292.19962	0.9
293.21240	4.2
305.08722	1.5
309.20706	67.1
310.21002	5.2
323.09738	1.5
379.12506	2.6
397.13492	36.3
398.13757	1.3
415.14575	12.7
416.14737	0.9
607.25360	1.2
689.33282	0.8
707.34796	1.1
847.44708	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4595
Annotation	Unknow
Peak:m/z	Relative Intensity
67.57455	0.7
69.03323	1.3
69.61662	5.3
71.01257	20.1
72.99184	1.8
73.02822	2.5
80.02577	1.7
81.03335	3.2
83.01262	3.4
83.04897	5.7
84.02065	0.9
85.02829	4.1
87.00745	5.4
89.02320	14.4
91.27184	0.7
95.01283	1.7
95.04901	2.0
96.95910	2.3
97.02811	4.1
97.06467	3.1
98.19882	1.4
99.00755	2.6
101.02327	11.8
106.04105	0.9
109.02836	1.7
109.06472	1.5
111.04399	0.8
111.08040	1.6
113.02320	8.2
113.51105	0.9
119.03389	3.5
121.02869	1.6
123.04385	1.4
123.08054	1.1
125.02342	7.7
125.09622	3.2
131.03418	1.3
135.08051	1.6
137.02336	1.0
137.09618	1.6
143.03383	1.7
161.04491	3.2
163.11200	8.3
165.12770	4.5
169.01382	0.9
171.10172	1.8
179.05522	3.9
179.10701	1.3
181.12292	2.5
183.13838	1.8
185.11780	3.5
191.10756	2.1
191.14369	2.9
197.11821	4.9
207.10237	5.6
209.11774	100.0
210.12117	4.7
211.13324	4.2
221.06635	1.8
223.13280	1.0
225.11258	6.3
227.12831	13.2
228.13135	0.9
235.08171	2.8
237.11330	1.6
241.14302	0.8
245.19073	6.7
253.09261	1.4
263.20178	2.3
275.20285	0.8
287.07761	1.6
289.18109	26.7
290.18469	2.4
291.19583	1.9
293.21332	3.8
305.08542	1.6
307.19135	31.9
308.19409	1.9
309.20679	3.3
327.19717	1.1
331.19156	0.9
379.12405	2.6
392.00903	0.9
397.13528	25.2
398.13983	1.0
415.14575	11.1
517.31757	1.1
607.25861	1.4
654.38672	0.9
705.33331	2.0
799.37842	1.3
897.44318	1.7
915.45813	9.1
916.47852	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00205	3.4
70.76229	1.3
71.01256	2.9
71.59700	1.7
83.01241	1.7
85.02795	1.9
93.03352	1.2
105.81300	1.2
106.12983	1.2
107.01283	7.0
109.02842	2.9
121.02840	2.9
124.01569	1.3
125.02305	6.4
125.05916	1.2
133.02846	1.9
135.04408	1.3
137.02379	1.5
147.00835	1.9
147.37766	1.1
149.02356	3.6
151.00276	25.2
151.03795	1.4
161.02325	1.6
163.00305	2.0
169.01328	5.1
175.00211	2.9
175.03995	1.4
176.01062	2.0
177.01965	1.9
178.99768	3.8
179.42978	1.2
190.02626	2.8
191.03429	4.6
195.06526	1.5
199.03940	8.5
201.01840	2.3
203.03375	1.5
205.04974	2.2
215.03429	4.2
221.97850	1.3
226.02707	2.4
227.03487	7.2
243.02936	10.7
244.03545	1.5
252.66113	1.4
255.02934	4.4
271.02481	87.7
272.02859	4.5
283.02426	2.3
285.04013	3.2
292.44623	1.2
299.01956	100.0
300.02695	34.9
301.03528	53.2
302.03796	2.0
313.03622	1.8
314.04312	2.6
315.05057	14.6
316.05212	1.4
353.08731	5.6
505.09744	14.2
519.11652	1.8
547.11127	3.4
668.13660	14.5
669.14594	47.5
670.14893	7.5
873.20953	40.5
873.37970	1.9
874.21698	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	915.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00202	1.5
65.82209	0.7
71.57561	0.7
78.95767	0.9
83.01289	1.6
85.02798	1.0
107.01293	2.7
125.02330	1.6
128.69943	0.8
130.26103	0.7
130.86143	0.7
131.04947	1.0
132.02126	0.8
134.03670	1.3
135.00739	1.5
135.04124	0.7
137.02373	0.7
142.58145	0.6
148.05176	1.5
149.02386	0.8
150.03181	0.9
151.00319	4.1
163.00270	1.7
163.07576	1.1
169.01361	2.3
178.99800	1.8
183.04417	1.8
187.03934	0.8
193.04956	2.0
193.08592	0.7
195.06346	0.7
199.03773	1.0
207.06479	1.5
211.03981	2.7
227.03444	47.7
228.03909	3.0
229.05052	1.8
255.02959	83.1
256.03522	8.8
257.04468	2.5
257.99713	0.7
283.02414	3.3
284.03256	100.0
285.03906	21.6
286.04303	1.1
298.04999	0.9
369.56604	0.8
455.44586	0.8
575.14392	1.0
707.18225	35.6
708.18335	5.4
915.25488	30.5
916.25635	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	915.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	44.6
72.99171	1.6
73.02822	13.2
75.21210	1.5
83.01260	7.3
85.02824	24.6
85.03941	5.3
87.05537	2.3
89.02333	6.4
95.01292	4.9
96.95883	2.2
97.02840	2.2
98.19757	3.4
99.00767	5.6
101.02324	32.9
113.02326	23.1
119.03391	2.4
119.04878	2.2
125.02339	3.2
128.03432	7.1
143.03368	2.6
157.06099	4.6
159.02911	4.5
161.04468	13.6
174.02249	2.2
209.15364	10.3
262.16177	1.6
295.05795	1.7
320.09232	19.9
353.19684	29.9
371.15994	3.5
371.20718	67.0
372.21024	3.6
413.21805	100.0
414.22226	6.2
431.09436	1.8
759.92792	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	915.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
65.48441	1.2
69.03319	1.4
69.58529	1.1
71.57171	2.0
88.30218	1.2
95.08939	1.4
97.02818	1.8
109.02841	4.4
111.00723	1.7
121.02873	1.4
123.00719	1.5
123.04440	1.9
125.02335	38.9
126.02670	1.7
137.02301	4.7
145.02789	1.8
147.04488	1.3
151.00241	2.9
151.03888	2.3
161.05905	1.3
161.69482	1.2
165.01828	2.4
167.64500	1.1
169.01334	56.9
178.99837	1.6
187.04083	1.8
193.01334	1.7
203.07022	2.2
205.04915	1.2
223.74055	1.2
225.14928	2.6
226.02620	3.9
227.03342	1.5
243.02896	9.3
245.08170	4.2
254.02200	3.2
255.02881	3.1
271.02448	35.1
271.05661	2.3
272.02814	2.5
289.07169	23.4
290.07718	1.2
300.02759	36.1
301.03397	8.8
303.05164	1.7
331.04575	1.9
369.19113	2.2
429.21249	5.9
441.08243	33.8
442.08533	4.7
451.28995	3.4
463.08795	100.0
464.09164	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	913.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
64.88669	1.2
69.03329	5.7
69.19189	1.3
69.30332	13.5
71.01255	44.9
72.99181	2.5
73.02818	7.8
75.00756	7.5
81.03339	3.9
83.01271	4.2
83.04886	7.0
84.02047	1.7
85.02829	9.7
85.68658	1.2
85.75489	1.3
87.00755	7.9
89.02322	31.0
93.03310	1.7
95.01274	3.7
95.04920	5.0
97.02818	6.6
98.19704	2.6
99.00758	3.3
99.04462	1.3
101.02325	26.4
106.04137	1.3
109.02882	1.6
109.06492	3.0
111.04367	1.8
111.08047	8.5
113.02325	16.1
119.03398	10.4
123.08022	1.7
125.02355	14.6
131.03394	2.1
137.09636	1.5
139.11177	1.3
141.01729	2.4
143.03380	5.3
161.04434	5.3
167.10684	7.2
171.10281	2.8
175.11229	1.6
177.12775	8.1
179.05557	9.3
179.10699	2.9
179.14333	2.7
183.13861	2.1
190.29529	1.3
193.12245	2.7
195.13841	21.7
197.11789	4.4
198.60898	1.1
203.10794	1.4
205.12254	6.7
209.11804	2.2
211.13380	7.0
221.06544	5.1
221.11794	45.3
222.12199	1.9
223.13356	60.1
224.13664	3.0
235.08133	10.2
239.12863	94.1
240.13208	2.4
253.09337	3.5
263.07816	1.4
275.20111	6.8
277.21860	1.5
291.19672	68.3
292.20047	3.8
293.21237	100.0
294.21689	6.2
305.08655	1.7
309.20505	2.3
379.12476	3.2
397.13461	44.7
398.13669	2.1
415.14600	22.7
619.26263	5.9
637.26971	8.3
699.96704	1.7
779.84723	1.8
784.47986	1.6
913.47827	9.0
914.47864	2.0
923.85437	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	913.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01786	0.9
69.03325	5.6
69.59217	3.3
69.59644	2.2
70.58581	0.6
71.01256	24.3
72.99190	2.3
73.02821	3.7
75.00742	0.9
75.25416	0.7
79.04023	0.6
81.03294	1.1
83.01251	3.6
83.04911	0.8
84.02003	0.7
85.02825	5.0
85.06492	0.9
87.00746	5.9
89.02322	23.1
93.03329	0.7
94.54662	0.6
95.01273	2.0
95.04897	0.9
96.95899	0.7
97.02853	4.8
97.06466	0.9
99.00755	1.4
101.02330	17.1
109.06479	0.9
111.00722	0.6
111.08038	11.3
112.98737	0.8
113.02338	10.3
119.03398	5.3
125.02340	6.3
130.86469	0.7
131.03398	1.9
137.09608	0.8
143.03398	2.6
149.09592	1.2
153.09117	1.1
153.12740	1.5
161.04477	3.9
163.11179	0.9
165.12756	0.7
167.10715	3.5
169.12279	4.9
171.10184	1.9
175.03917	0.9
177.12755	0.8
179.05537	6.3
179.10728	1.6
179.14340	4.1
181.12242	1.1
193.12312	1.0
195.13861	11.5
196.14206	0.8
197.11772	52.9
198.12024	1.8
199.13252	3.2
205.12306	8.5
209.11769	2.2
211.13339	7.5
221.06638	2.6
223.13356	90.8
224.13686	3.3
227.12831	2.4
235.08226	6.8
247.20564	1.3
253.09387	1.2
260.07217	0.7
263.20181	1.9
265.18054	1.5
272.64963	0.7
273.18600	1.6
287.07855	1.3
291.19696	22.1
292.19910	1.0
293.21246	1.7
305.08749	2.3
309.20731	100.0
310.21121	4.9
323.09918	1.5
347.17944	0.7
379.12405	4.2
397.13525	48.5
398.13962	2.2
415.14569	18.2
515.33826	1.8
603.26709	2.4
621.27783	10.5
621.37152	1.3
622.28448	0.8
689.33795	3.3
707.35358	2.4
843.13446	0.8
913.49017	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	912.5372
Annotation	Unknow
Peak:m/z	Relative Intensity
65.71996	0.4
72.44557	0.4
76.54237	0.4
78.95776	66.1
92.24113	0.4
96.96840	7.8
140.01088	1.6
150.97919	2.4
152.99490	100.0
153.99815	1.1
171.00554	4.7
196.03781	2.8
214.04836	0.8
279.23410	0.9
281.24850	33.0
282.25150	2.0
325.47305	0.5
433.23578	37.2
434.18289	0.7
434.23770	3.9
478.29370	26.3
479.29849	2.4
604.57776	0.4
900.08179	0.5
944.39307	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
71.59270	2.3
77.95612	1.7
83.01242	2.2
89.38361	1.9
94.22258	1.6
95.06651	1.9
95.33270	1.6
105.03339	3.6
109.02840	8.1
121.02869	2.4
123.00726	3.0
123.04475	1.8
125.02338	100.0
126.02678	3.1
133.02853	2.5
137.02342	11.5
138.41228	1.7
139.03893	2.2
149.02361	8.9
151.03894	7.8
155.04936	1.6
159.04416	1.9
160.01575	2.5
161.02353	16.8
163.00235	3.4
163.03952	4.4
164.01004	1.6
165.01807	3.6
167.03435	8.8
169.01347	16.8
171.04553	2.0
175.00327	3.1
175.03922	15.1
177.01854	68.2
177.05498	3.4
178.02216	3.0
187.03954	3.6
191.03485	2.4
193.01315	3.1
199.03943	7.2
201.01900	4.9
201.05463	2.6
203.03456	3.6
205.01321	1.8
205.05035	2.7
215.03453	2.8
217.05016	7.9
218.05576	2.1
219.02885	3.4
219.06508	2.2
227.03447	4.5
229.01425	4.3
229.05042	3.0
241.05070	4.7
243.02936	18.4
245.04524	3.7
255.02939	10.8
256.03574	2.7
257.04547	3.8
261.04016	6.4
261.07230	2.0
267.03125	2.5
269.04575	6.5
273.03992	8.0
279.02783	1.8
280.03775	1.9
281.04654	3.2
283.02451	6.7
285.04053	39.8
286.04593	3.5
287.05563	13.8
295.02655	1.9
297.04065	6.9
299.05487	2.9
301.03629	5.4
303.05118	13.3
305.06766	13.9
309.04129	3.4
319.04449	2.5
323.05728	2.8
335.05447	2.1
337.07166	2.0
379.08295	2.7
405.06100	4.3
409.05811	2.2
411.07297	6.2
421.05582	5.1
423.07214	93.5
424.07553	5.2
435.07031	4.5
441.08127	3.4
447.07144	12.2
453.08340	2.5
457.07693	2.2
465.08255	10.8
483.09161	3.4
555.09033	4.4
556.09558	1.9
573.10315	18.8
574.10626	2.0
575.08179	3.1
591.11548	33.6
592.11871	3.6
593.09454	2.9
609.12488	8.9
617.09015	2.7
630.77350	1.8
743.12689	2.3
761.13184	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	911.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99683	2.0
69.03315	1.5
71.01251	28.8
72.01601	0.4
72.99171	2.6
73.02818	8.7
75.00747	15.8
83.01260	3.4
84.02012	0.9
85.02821	34.3
85.99968	2.1
87.00751	10.9
87.04399	3.1
89.02309	4.5
95.01256	4.4
97.02855	0.6
98.20396	2.4
99.00755	14.5
101.02319	3.9
103.03876	1.6
103.24271	0.5
111.00723	0.6
112.01528	1.3
113.02332	24.3
113.76868	0.4
115.03906	3.7
119.03456	0.4
127.03884	0.4
130.56537	0.4
131.03394	9.2
139.00272	1.4
143.02348	0.6
143.03397	7.2
143.04425	0.8
145.04926	1.3
157.01306	1.4
163.06004	2.0
187.60767	0.4
205.07147	2.8
229.81354	0.5
248.36421	0.4
341.63916	0.5
387.32541	0.4
391.30325	0.5
400.20987	0.5
437.34305	1.0
457.36823	1.3
857.55609	0.5
893.49420	1.2
911.50043	100.0
912.50409	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	911.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
63.35408	0.2
69.43637	2.3
73.98023	0.3
102.61560	0.2
119.04874	0.3
125.02316	0.3
128.81096	0.3
129.03445	0.4
134.84778	0.2
144.14035	0.3
145.02832	1.2
151.00269	0.8
157.02847	0.6
163.00346	0.4
163.03839	0.5
173.02319	1.3
178.99832	0.4
185.02357	2.2
189.01814	0.3
201.01895	1.9
217.01367	0.5
226.99812	0.6
229.01384	3.2
243.02968	0.8
245.00818	1.2
254.99203	0.4
255.02939	1.5
257.00946	1.3
271.02509	2.7
272.03223	0.3
283.99628	2.7
299.99075	2.0
300.02753	8.4
300.99899	100.0
302.00241	6.7
302.03647	0.4
609.14587	15.0
610.15259	1.5
633.07922	0.3
642.19263	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.188
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00188	1.6
70.05819	3.4
71.51713	0.6
83.01234	1.5
88.58807	0.8
91.56844	0.7
95.01250	1.0
98.20461	1.0
107.01252	2.7
109.02820	2.9
109.99984	5.4
111.00766	3.1
121.02853	1.5
123.00759	1.7
125.02306	2.0
130.53265	0.8
137.02368	0.9
137.99483	2.7
139.00258	10.2
147.00661	0.8
149.02330	1.8
149.80515	0.7
151.00262	10.3
152.01028	0.8
163.00288	3.4
164.01051	1.0
165.98997	8.3
166.99760	5.3
169.01315	1.0
174.03137	1.0
175.03981	0.7
178.99776	8.7
183.04366	1.2
187.03947	1.1
193.98401	1.4
194.99229	1.6
199.03947	2.6
202.02682	0.8
203.03485	1.3
206.99237	1.8
214.02650	0.8
215.03374	1.2
227.03369	3.5
231.02950	1.0
242.02187	2.3
243.02914	6.0
244.03569	1.2
245.04488	1.2
255.02988	11.1
259.02408	2.0
270.01636	3.3
271.02460	34.8
272.03046	3.0
273.03949	2.0
283.02344	1.0
287.01959	14.0
288.02548	2.1
299.01938	11.3
300.02744	32.3
301.03482	23.0
302.04019	1.6
315.01370	1.4
316.02209	49.0
317.02969	49.8
318.03421	2.2
447.09323	46.0
448.09491	4.5
462.08069	1.5
463.08798	100.0
464.09250	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	911.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00196	1.0
71.60113	0.9
71.62582	0.7
77.03857	0.6
83.01269	0.7
85.02849	1.0
106.11734	0.6
107.01255	2.1
108.02068	0.7
108.62737	0.9
109.02838	0.9
114.00376	0.8
120.55941	0.7
121.02837	1.1
125.02324	2.3
130.06366	0.7
133.02864	1.8
149.02350	0.9
151.00266	7.0
163.00314	1.8
167.20724	0.6
169.01334	1.4
178.99760	2.9
180.31448	0.6
183.04453	0.8
199.03909	1.5
207.39983	0.6
211.03944	0.9
227.03371	2.3
243.02882	4.0
254.02325	1.5
255.02959	13.8
256.03589	1.5
271.02490	28.8
272.03000	2.7
284.03253	21.7
285.04041	47.5
286.04388	2.5
299.02206	1.1
300.02750	65.7
301.03510	33.1
302.03760	1.5
385.90472	0.7
447.09323	51.0
448.09564	4.6
463.08832	100.0
464.09146	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	909.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
68.60180	1.9
69.86772	11.8
71.01253	28.0
72.99187	2.4
73.02827	7.2
75.00748	16.3
81.67666	1.8
82.76249	2.0
83.01269	3.8
84.07771	2.3
85.02823	36.9
85.99987	3.8
87.00759	9.1
87.04393	3.8
89.02332	2.4
95.01267	2.6
98.20107	5.0
99.00756	18.7
101.02361	2.0
113.02316	22.8
115.03916	2.2
131.03391	9.4
143.03387	5.6
205.07111	2.6
262.80710	2.6
279.59332	2.2
407.33240	3.6
539.51556	2.4
909.48584	100.0
909.66809	5.0
910.49030	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.5433
Annotation	Unknow
Peak:m/z	Relative Intensity
66.90391	1.6
69.03342	2.0
69.88345	5.3
69.88754	3.2
71.01254	32.8
72.99190	3.4
73.02839	4.2
75.04961	1.6
80.02535	2.2
81.03342	3.1
83.01265	3.7
83.04909	6.0
85.02835	3.2
87.00757	6.3
89.02319	22.1
89.35502	1.6
97.02834	3.0
98.19662	1.6
101.02330	18.8
113.02327	13.4
119.03399	5.1
125.02366	9.0
125.06032	1.7
125.09654	2.5
127.11179	6.6
141.01883	1.7
143.03430	4.4
151.94716	1.5
159.20441	1.4
159.27638	1.6
161.04482	4.7
163.11194	5.1
165.12778	2.9
171.10251	4.3
175.52782	1.7
179.05563	5.0
191.10742	1.7
201.11263	81.2
202.11627	3.1
209.11774	100.0
210.12152	4.9
216.53719	1.7
227.12840	13.5
235.08162	7.9
240.50789	1.7
255.23280	9.3
269.24933	2.5
273.17010	12.2
283.26425	80.2
284.26785	5.9
287.07803	2.8
305.08899	2.6
323.09756	3.0
323.30902	2.0
344.66550	1.8
350.69769	1.7
377.59451	1.7
379.12360	10.4
397.13498	74.2
398.13965	6.8
415.14587	14.4
433.20612	1.8
581.23993	1.9
681.40723	5.2
741.16205	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	909.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
70.73620	2.8
70.73954	5.3
71.01255	96.5
72.99171	14.7
75.00738	4.7
83.01221	2.8
85.02832	23.7
87.00747	7.5
89.02319	100.0
93.13975	2.1
95.01263	7.7
96.95871	3.4
97.02851	3.1
98.19946	2.4
98.20548	2.5
101.02322	46.8
113.02335	38.7
119.03392	37.2
121.02847	6.0
122.03669	2.3
123.04452	3.7
125.02368	19.9
127.69976	2.1
131.03389	5.0
137.02338	9.2
143.03397	9.4
145.02847	4.6
149.02350	5.7
149.04428	4.8
150.03088	4.2
151.00298	3.8
151.03923	4.2
161.02353	7.8
161.04463	7.3
162.03131	48.5
162.04375	3.9
163.03770	2.5
165.01796	3.5
165.05499	6.1
165.09128	6.4
166.02618	7.9
169.01355	9.7
177.05511	44.9
179.05537	30.2
181.04991	8.6
191.01848	3.9
191.07042	2.6
209.08131	42.7
209.11792	6.4
289.07150	4.1
301.03506	3.3
361.16367	10.6
371.13425	4.5
397.13391	2.6
406.75470	2.6
415.14767	2.9
491.19235	8.0
537.17303	3.8
537.25909	4.8
565.20538	8.5
639.24634	22.5
729.31049	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	909.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03324	3.1
69.29841	6.3
69.30273	8.3
71.01256	19.8
72.99183	35.1
73.02822	11.8
74.86965	1.6
78.95761	2.6
79.95603	2.8
81.03361	1.5
83.01269	3.9
83.04886	8.5
85.02834	8.7
87.00759	8.0
89.02323	9.8
95.04887	2.6
96.95897	25.4
97.02848	4.2
99.00759	19.4
101.02322	9.0
109.02833	1.9
109.06476	1.7
111.04398	7.9
111.08050	3.0
113.02343	12.3
116.01635	1.6
116.92750	4.0
119.03368	2.6
121.06482	8.7
123.08055	19.1
125.02344	3.6
131.03403	1.6
136.05228	1.7
137.09586	3.4
137.97092	1.4
138.06787	2.8
139.07550	2.5
145.10156	2.3
151.03932	1.8
151.07587	2.9
153.09154	6.2
155.03482	1.6
161.04471	3.8
165.09094	2.2
169.10063	2.6
171.11734	15.4
189.12752	4.9
190.73094	1.6
191.05501	2.8
201.12802	4.5
203.14304	6.9
207.13852	4.2
219.13826	2.4
237.14917	18.5
265.14548	1.6
281.13953	25.1
377.15897	1.9
427.19757	2.2
469.20868	8.4
473.32709	1.8
540.18994	1.4
541.22589	2.1
559.23853	1.7
564.34509	1.7
573.14050	1.5
583.23883	43.8
584.24115	5.5
601.25055	100.0
602.25104	9.8
629.81494	1.6
641.63068	1.7
647.61884	1.6
865.38550	47.7
866.39050	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	908.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
69.12439	0.7
71.57695	1.1
71.58109	0.8
78.38549	0.8
78.95774	57.0
96.96847	6.4
112.09553	0.9
113.47427	0.9
150.97925	2.1
152.99489	100.0
153.99802	1.7
166.33423	0.8
171.00534	4.9
177.83511	0.8
204.60614	0.9
279.23285	39.3
280.23669	2.8
418.06137	0.8
431.21991	33.5
432.22235	3.8
476.27802	19.3
477.28110	2.4
546.16998	0.9
725.25446	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.174
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02275	0.7
65.00194	0.7
65.82801	0.3
71.01257	5.5
71.59634	0.6
72.99171	1.0
73.02821	0.5
75.00754	1.6
83.01270	0.5
85.02827	7.7
87.00738	1.1
89.02297	0.9
91.01754	0.5
93.03334	1.7
95.01261	2.4
99.00764	2.7
103.00249	1.8
107.01282	1.9
109.02811	1.2
111.00708	0.3
113.02334	11.7
115.00250	0.7
117.01817	0.9
121.02851	0.3
125.02332	1.0
129.01778	0.7
131.04961	0.3
131.82045	0.3
133.02899	0.5
135.00789	0.6
137.02341	0.6
143.04918	1.1
145.02760	0.5
151.00269	1.5
153.01808	0.6
155.04927	0.3
157.06483	1.1
158.03725	0.4
159.04419	1.3
163.00267	1.9
163.64752	0.3
164.91634	0.3
165.01845	0.6
167.04909	0.5
169.01355	0.5
169.06458	0.8
171.04407	0.7
174.49146	0.4
175.02396	4.6
183.04495	0.9
185.06000	2.4
187.03879	3.0
189.05484	1.2
195.04478	0.6
196.05179	0.4
197.05992	1.0
199.03914	0.7
201.05522	0.6
211.03934	1.6
212.04756	0.5
213.05435	2.1
214.02583	0.4
227.03484	6.5
228.03807	0.4
229.05006	9.4
230.05280	0.7
239.03525	1.5
240.04178	0.6
241.05034	1.4
243.03108	0.5
255.02957	5.4
256.03696	1.2
257.04529	5.4
267.02954	0.7
284.03262	7.8
285.04041	100.0
286.04404	6.2
299.01886	0.7
417.17209	0.4
447.09317	14.9
448.09656	1.3
461.07245	31.3
462.07748	2.5
514.46777	0.4
850.71320	0.4
884.28467	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
64.15143	0.2
69.97603	0.3
71.16049	0.7
78.95776	58.1
92.34637	0.2
96.53466	0.3
96.96840	5.7
96.97356	0.2
102.37173	0.3
114.77043	0.2
121.99985	0.3
140.01062	1.8
150.97931	2.1
152.99489	100.0
153.99809	1.3
156.61311	0.3
171.00557	3.2
174.31718	0.2
195.54236	0.2
196.03703	2.3
214.04901	0.6
277.21640	0.7
279.23282	27.5
280.23657	1.9
402.34247	0.3
431.22003	35.3
432.22391	3.0
476.27811	26.7
477.28021	2.3
507.46390	0.3
804.05261	0.3
859.03070	0.3
920.44708	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02262	0.5
65.00185	0.9
68.36087	0.4
70.08467	2.1
71.01270	0.8
77.79364	0.3
81.03340	0.4
83.01254	1.4
85.02821	0.5
89.02327	1.0
93.03326	0.6
95.01251	0.4
95.04909	0.4
97.02810	0.5
101.02325	0.4
107.01256	3.5
107.13200	0.3
108.02046	1.4
109.02841	3.7
113.02332	0.6
121.02862	2.0
123.00825	0.6
123.04428	1.2
125.02342	18.2
126.02676	0.6
135.00786	0.6
137.02319	1.9
139.03848	0.4
145.02853	0.8
148.01529	1.2
149.02362	0.7
151.00278	9.8
151.03891	1.5
152.00923	0.4
159.04384	0.6
161.02364	0.5
161.05951	1.0
163.00301	2.5
164.01073	0.9
165.01833	0.9
167.03409	0.5
169.01340	24.7
170.01668	0.9
174.00497	0.4
178.99780	4.5
179.03317	0.7
183.04410	0.6
187.03899	1.4
188.04768	0.9
188.69403	0.4
191.03436	0.4
193.01332	1.2
199.03923	0.8
201.05455	0.6
203.03322	0.5
203.07080	1.2
205.05055	0.8
211.03920	1.2
214.02550	0.4
215.03369	0.5
216.04094	0.4
217.04758	0.4
226.02728	1.1
227.03439	2.4
229.01373	0.4
229.04979	1.2
243.02966	8.5
244.03542	0.7
245.04533	1.0
245.08186	1.5
254.02121	2.5
255.02962	22.0
256.03317	1.6
263.71051	0.4
271.02478	49.9
272.02924	3.9
273.03983	0.8
283.02457	1.0
289.07202	10.2
290.07394	0.5
299.01938	1.1
300.02747	83.1
301.03494	40.3
302.03909	2.8
303.05130	0.4
331.04407	0.4
441.08267	8.8
441.17545	4.4
442.08441	1.1
463.08826	100.0
464.09106	9.4
622.50409	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.288
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01235	2.1
71.57316	1.3
73.02819	1.2
80.58848	0.6
83.01261	0.8
101.02369	1.0
107.01263	2.6
108.02033	1.1
109.02827	2.4
113.02312	0.8
121.02857	1.9
125.02322	3.5
137.94518	0.8
138.06779	1.2
147.00798	0.8
149.02281	1.1
151.00261	10.3
153.09103	2.4
161.02339	1.3
161.04393	0.8
163.00221	3.4
169.01395	0.9
177.01846	2.1
178.99794	5.8
193.01357	0.9
203.03345	0.6
210.00639	0.8
225.14928	7.2
227.03442	1.6
229.04942	1.2
235.77852	0.8
243.02951	6.3
245.04456	1.4
254.02220	0.9
255.02950	16.4
256.03485	1.5
271.02472	36.8
272.02982	2.1
273.03860	0.6
283.02548	1.6
300.02731	73.8
301.00238	2.2
301.03491	64.6
302.03586	3.0
316.02591	0.7
317.02820	1.0
369.19128	1.9
387.20529	1.3
423.07251	1.5
429.21359	7.3
433.07736	100.0
434.08005	8.0
449.07220	1.6
723.12329	0.8
815.94312	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.5275
Annotation	Unknow
Peak:m/z	Relative Intensity
65.65134	2.4
70.27807	2.5
71.01258	29.4
73.02818	4.5
73.64840	2.3
78.95762	2.4
83.01205	2.8
83.04869	5.4
85.02853	4.1
87.00794	5.3
89.02315	23.0
95.01235	2.5
95.96879	2.5
97.02831	3.0
101.02335	18.9
111.04392	2.7
112.79971	2.4
113.02341	12.3
119.03339	4.8
125.02373	12.3
127.11163	3.0
163.11128	3.0
171.10243	3.5
172.29024	2.4
179.05586	3.3
199.09750	2.7
201.11276	75.0
202.11546	2.7
209.11769	100.0
227.12827	13.1
235.08194	9.7
253.52884	2.7
266.99554	3.0
281.24863	88.2
282.25177	10.0
287.94257	2.5
379.12366	10.3
397.13486	66.6
398.13580	6.0
415.14514	14.3
679.39386	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	907.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
63.65691	0.3
65.00216	0.6
69.47138	1.4
69.47556	2.0
71.01255	0.6
81.03347	2.0
85.02838	0.4
85.06473	0.6
87.00767	0.4
87.04400	0.6
97.02787	0.4
97.71817	0.4
108.02076	0.6
109.02850	1.9
109.06487	1.2
111.04403	2.8
121.02840	10.3
123.00766	0.6
123.04407	0.4
124.01546	0.7
125.02353	3.7
127.07526	0.5
133.02858	8.9
133.03810	0.6
133.06531	0.5
135.04417	3.3
136.05205	0.5
137.02344	4.2
138.03151	0.6
147.04445	0.9
149.02341	6.6
150.03140	2.2
151.00282	0.6
151.03896	0.5
151.07555	20.4
152.04626	0.6
152.07986	0.6
153.05470	1.1
161.02364	1.0
163.03909	1.0
163.07585	0.4
164.04700	1.8
165.01814	0.4
167.03345	0.9
177.05463	0.6
179.07056	2.8
184.03578	0.4
191.07079	0.5
195.06561	56.6
196.06879	2.1
199.07660	0.5
201.05484	0.6
209.06201	0.4
209.08160	1.6
211.07599	1.2
219.06575	16.2
220.06857	1.0
225.05621	0.5
227.07045	1.8
237.05333	0.5
237.07616	5.3
238.07971	0.4
242.09525	0.9
243.06393	0.5
249.07652	1.4
253.04994	3.0
254.05840	1.5
255.06616	11.5
256.03754	2.0
256.06445	0.6
268.07141	0.4
269.04514	0.7
269.08130	0.8
270.04849	0.5
271.06119	25.6
272.06329	0.9
285.07462	0.5
286.08469	23.6
287.08792	1.4
297.09921	0.7
299.09412	0.6
300.02786	0.7
301.10803	100.0
302.11157	5.1
357.11896	25.3
358.12173	1.1
445.15027	1.4
505.09537	1.2
505.17191	3.1
549.25446	0.7
700.56158	0.4
863.38678	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01240	22.1
71.58733	4.8
71.59120	3.6
72.99191	4.2
81.10284	3.6
83.01247	5.2
83.04903	4.1
85.02821	8.7
87.00759	10.1
89.02314	20.1
96.95897	29.0
97.02859	4.7
97.06465	6.5
101.02324	10.2
106.43623	3.5
113.02331	7.2
125.02320	12.9
151.11195	6.5
169.12268	32.3
171.10123	5.0
185.11729	25.6
195.02747	4.1
197.11729	16.8
206.92157	3.8
209.11780	35.8
213.11270	4.7
227.12831	15.4
228.13150	5.4
241.14455	4.4
293.21228	19.2
294.21509	6.2
294.82742	3.8
295.22665	16.4
309.20471	6.7
327.21661	4.2
341.23245	5.8
361.93289	4.1
397.13492	17.6
415.14661	9.2
614.79852	3.8
638.95135	4.0
639.05634	5.5
657.81653	3.4
903.45862	100.0
904.46558	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	903.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
67.54147	2.4
69.03329	2.7
71.01263	26.2
71.58339	2.0
71.58796	2.8
72.99194	3.3
73.02819	3.6
83.01301	2.2
83.04886	6.3
85.02818	7.6
87.00757	5.5
88.83511	2.0
89.02319	21.0
91.08989	2.4
93.62487	2.2
97.02827	4.7
101.02321	18.8
113.02359	12.4
116.92743	5.6
119.03372	6.7
123.02619	2.5
125.02354	14.5
127.11172	4.5
143.03432	3.5
157.45444	2.7
161.04510	5.8
163.11214	5.4
169.01265	3.2
171.10176	5.7
174.74130	2.5
179.05481	5.0
201.11267	84.3
209.11778	100.0
210.12125	5.3
225.11287	4.3
226.11760	2.9
227.12856	13.1
235.08192	6.2
277.21732	52.2
278.22232	4.3
379.12491	7.9
397.13568	48.3
398.14041	4.5
415.14542	13.1
416.14822	2.5
596.87292	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	905.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00208	0.7
69.47478	4.1
71.01277	0.4
80.97855	0.6
81.03336	0.7
83.01273	0.8
83.18117	0.4
93.03339	0.6
97.02811	0.7
107.01269	1.7
108.02074	0.8
109.02853	2.5
121.02829	0.9
123.00785	0.5
123.04401	1.2
125.02341	19.6
126.02682	0.6
135.51120	0.5
137.02380	2.4
139.00255	0.6
145.02898	0.8
149.02319	0.9
151.00244	6.1
151.03912	1.6
161.05991	0.6
163.00252	1.3
164.01065	0.7
165.01842	1.0
168.00529	0.8
169.01337	40.1
170.01663	1.0
178.99800	2.9
179.03299	0.6
185.06020	0.5
187.03949	0.6
193.01390	1.6
203.07082	1.5
205.04968	0.5
211.77010	0.5
227.03406	1.0
243.02911	3.5
244.31674	0.6
245.04506	0.6
245.08115	3.2
254.02136	1.6
255.02965	11.7
256.03357	0.7
271.02496	24.5
271.05933	1.9
272.03027	1.7
273.03918	1.0
283.02515	0.8
287.05615	0.7
289.07202	15.9
290.07590	1.5
299.52655	0.5
300.02753	57.9
301.03506	28.6
302.03867	1.8
303.05026	1.1
316.49170	0.6
331.04700	0.9
338.39413	0.5
346.59985	0.6
441.08282	20.7
441.17648	2.2
442.08630	2.2
463.08829	100.0
464.09158	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	903.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
71.00925	1.7
71.01253	8.6
71.67852	1.5
78.72277	1.8
83.01250	2.4
83.04902	4.3
85.02825	4.8
87.00760	2.8
89.02314	5.1
96.95896	3.2
98.20155	9.0
101.02335	4.8
111.00797	1.8
112.25340	1.9
113.02348	5.2
119.03428	3.0
122.66458	1.6
125.02351	13.7
142.71075	1.7
143.03375	2.4
145.57292	1.8
149.02339	3.3
150.06769	1.8
161.02338	2.0
161.04675	1.9
165.01891	2.1
165.05498	3.1
166.02649	1.9
169.01370	5.4
177.01790	2.4
179.05504	5.1
179.07042	2.0
194.27562	2.0
209.11777	100.0
210.12143	5.2
227.12854	29.8
235.08121	3.0
252.60834	1.6
330.55325	1.8
379.12506	5.8
397.13577	31.4
415.14514	6.2
538.56110	2.0
575.42169	1.9
589.25128	8.1
607.26215	7.8
608.26514	2.4
903.39838	16.2
904.39276	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	903.4588
Annotation	Unknow
Peak:m/z	Relative Intensity
62.84967	2.6
71.01259	22.6
71.59777	3.5
72.99178	3.4
73.02849	2.9
75.00766	3.2
77.43429	2.6
78.95750	3.4
82.95280	2.6
85.02815	8.2
87.00754	5.6
88.98701	4.3
89.02316	10.9
95.01282	4.9
96.95904	30.0
97.02864	5.3
97.06465	5.9
99.00745	3.2
100.17194	2.8
101.02324	11.3
111.08003	4.1
113.02300	5.7
114.93280	2.9
116.92745	4.8
119.03389	3.0
125.02364	11.9
149.02345	4.0
151.11221	8.2
165.12769	3.1
169.01335	5.4
169.12271	56.9
197.11713	14.9
203.47197	2.7
209.11748	19.8
211.13333	6.1
213.11192	7.6
221.06651	3.3
224.13702	2.7
227.12953	6.1
276.27875	3.7
291.19611	5.8
293.21292	4.9
294.21658	5.0
295.22845	8.6
309.20798	9.7
315.95105	3.2
341.23349	4.9
358.97162	3.4
397.13327	9.0
415.14651	3.5
495.88477	3.0
903.45972	100.0
904.46588	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	901.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
63.17832	0.3
69.03333	1.2
69.35955	2.7
71.01254	17.7
71.04868	0.4
72.99171	1.3
73.02821	2.0
75.00791	0.4
80.02557	1.3
81.03339	1.9
83.01264	1.6
83.04897	7.7
84.02037	1.5
84.05248	0.3
85.02815	3.5
87.00746	3.7
89.02315	12.5
91.03900	0.5
93.03310	0.4
93.55291	0.3
93.91253	0.3
95.01264	1.5
95.04897	1.1
96.95894	1.4
97.02806	2.0
98.19759	0.6
99.00745	1.0
101.02325	11.4
101.03008	0.6
109.06479	0.7
111.04394	0.4
111.08059	0.7
112.85339	0.3
113.02332	6.8
115.03896	0.4
119.03391	3.0
121.02921	0.4
125.02335	4.9
125.05984	0.8
131.03384	0.7
135.08034	0.7
137.02301	0.4
139.03917	0.5
141.01839	0.5
143.03375	2.3
146.19724	0.3
161.04474	2.7
163.11191	4.8
165.12750	3.8
167.03325	0.5
171.10226	0.3
179.05508	3.3
179.14339	0.8
181.12285	0.6
183.13805	0.7
191.10721	1.2
195.13843	5.8
196.14453	0.6
197.11722	0.8
199.13278	0.5
205.12325	0.9
209.11772	100.0
210.12119	4.6
211.13315	4.1
217.07077	0.6
221.06606	1.5
223.13354	4.5
227.12849	11.6
228.13333	1.4
229.14160	0.4
231.20982	0.5
233.81133	0.4
235.08206	5.1
235.17046	0.7
251.12932	0.5
253.09251	1.0
256.13156	0.9
263.07614	0.6
275.20172	5.5
277.09311	0.4
287.07697	1.4
291.19604	1.0
293.21219	96.2
294.21515	7.5
305.08673	1.9
309.20752	2.5
323.09866	1.1
379.12399	3.1
397.13501	38.4
398.13669	2.0
415.14557	12.2
416.14978	0.8
607.25818	2.3
677.42377	0.4
691.34814	0.4
840.12299	0.4
901.46698	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
69.89404	0.7
71.01249	0.2
73.02813	0.2
78.86836	0.1
121.02833	0.2
123.04468	0.2
133.06467	0.4
147.04424	0.4
148.05200	24.7
149.05505	0.9
163.07555	26.5
164.07913	1.1
169.06488	0.2
181.06514	0.9
183.04391	0.4
197.06046	1.0
198.06737	1.0
209.06044	0.2
225.05518	29.8
226.06207	5.1
227.06592	0.2
240.07924	0.2
241.08662	100.0
242.08987	7.0
271.09756	0.5
367.14096	0.1
740.17511	0.1
937.87292	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	901.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99678	0.5
69.86565	0.4
70.21095	1.6
70.21458	0.8
71.01254	13.4
72.99188	2.7
73.02818	1.3
75.00748	15.0
81.03338	0.5
81.58976	0.4
83.01260	1.6
84.01987	0.4
85.02822	13.4
87.00755	3.7
89.02318	4.0
95.01264	1.1
99.00744	4.0
101.02319	3.2
111.00745	1.1
112.01540	0.7
113.02333	12.6
113.20086	0.4
115.00246	1.4
117.01794	0.5
119.03383	1.2
125.02325	1.7
131.03435	0.7
134.03659	0.5
167.03328	1.0
173.04520	0.6
175.02382	0.8
179.07274	0.5
254.18555	0.5
255.02991	0.8
273.07489	0.8
283.94266	0.4
285.04099	0.6
285.88239	0.4
339.12134	0.4
352.40332	0.4
402.63965	0.4
431.10028	0.6
465.19739	100.0
466.20020	5.8
475.82275	0.4
646.41553	0.4
703.96600	0.4
704.09216	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	3.2
69.32296	13.0
71.01254	29.1
71.04871	3.2
72.99151	2.2
73.02802	4.9
74.68720	1.2
80.96373	4.9
83.01258	3.1
83.04885	1.5
84.02003	1.4
85.02831	7.3
87.00744	4.6
89.02325	16.6
95.01270	1.5
95.04876	2.7
96.95885	3.1
97.02845	6.9
97.06461	2.0
99.00760	15.1
101.02337	14.1
101.17471	1.3
101.73405	1.2
109.02804	1.3
109.06493	2.8
113.02338	6.8
119.03357	4.3
123.04385	1.4
124.01506	1.6
125.02370	6.8
125.09642	8.2
135.08118	1.3
143.03368	2.3
153.12730	1.7
161.04486	3.0
163.11224	9.6
171.10165	17.0
179.05513	2.9
181.12267	12.1
197.11783	2.9
199.13333	10.0
201.11316	8.6
207.08331	2.5
207.10219	33.7
209.11772	2.7
221.06566	2.3
225.11278	49.3
226.11594	2.4
235.08208	2.6
243.12369	13.6
277.21741	48.4
278.21991	5.3
293.21207	2.1
379.12518	3.4
397.13492	23.3
398.13953	2.8
415.14471	6.0
416.14984	1.5
605.24286	4.1
619.25122	1.5
623.25909	3.9
624.26147	1.9
883.47089	15.6
884.47205	3.2
901.47882	100.0
902.48041	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	901.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03317	1.4
70.35004	2.1
70.35411	2.4
71.00845	1.3
71.01249	24.9
72.99166	1.6
73.02801	3.9
75.60320	1.1
79.95575	1.2
81.03349	1.6
83.01250	1.5
83.40959	1.0
85.02818	5.0
87.00753	3.7
89.02319	18.1
95.01247	1.5
97.02820	2.6
98.19859	1.3
101.02326	17.3
111.08057	2.0
113.02335	8.5
114.93276	1.2
116.92680	1.3
119.03394	3.3
121.02879	1.4
125.02340	5.6
129.99756	1.1
143.03308	1.6
161.04483	3.3
165.12741	6.1
169.46295	1.1
171.10274	2.3
179.05528	2.7
183.13837	68.1
184.14160	3.8
195.13823	5.6
197.11734	3.8
209.11775	14.9
211.13306	11.8
221.06587	3.7
223.13380	3.4
225.11234	2.0
227.12904	7.1
235.08170	4.5
257.78207	1.3
275.20221	3.2
278.14856	1.2
287.07263	1.3
291.19757	2.6
293.21249	36.5
294.21469	2.9
309.20645	11.3
397.13519	16.8
398.13730	1.7
415.14606	6.5
526.25189	1.1
625.26740	3.4
901.47961	100.0
902.48279	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	899.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
66.92391	0.8
69.03341	1.3
69.72829	5.9
71.01256	22.4
71.04903	1.0
72.99187	2.2
73.02824	3.2
77.04053	0.8
80.02553	1.3
81.03332	3.3
81.22024	1.0
83.01279	2.6
83.04891	5.5
84.02058	1.6
85.02826	6.2
87.00764	4.7
89.02320	16.7
95.01241	1.6
95.04918	1.4
96.72301	1.0
96.95884	2.2
97.02831	3.9
99.00769	1.1
101.02325	14.2
107.84246	0.8
109.02799	1.4
109.06491	4.1
111.08051	6.8
113.02319	7.4
116.92776	0.9
119.03403	3.9
125.02322	9.2
131.03403	0.9
137.02303	0.9
141.01682	1.8
143.03416	3.1
161.04472	3.4
163.11215	7.4
163.12407	1.3
165.12772	2.7
167.03477	1.9
167.10608	2.4
169.01337	2.1
171.10179	1.5
179.05505	4.1
179.10669	1.5
181.12262	1.4
191.10696	0.9
195.13887	6.3
207.10225	12.2
209.11771	100.0
210.12141	4.2
211.13329	3.3
221.06653	1.9
223.13403	1.2
225.11259	7.7
227.12845	14.6
235.08221	3.9
247.20621	1.8
253.09358	1.2
275.20139	1.5
279.11960	0.8
291.19666	88.7
292.19937	5.0
293.21231	13.8
305.08862	2.4
309.20871	2.1
379.12439	3.3
397.13516	39.5
398.13943	1.1
415.14572	12.7
474.97006	1.1
520.03357	0.9
623.26086	1.8
671.32678	1.9
689.33813	4.1
767.94287	1.0
881.44958	1.9
899.46515	7.5
900.46655	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03330	1.3
70.97103	0.9
71.01255	15.2
71.04881	0.6
72.99180	1.0
73.02815	2.4
75.00742	0.6
80.02553	1.4
81.03325	1.4
83.01250	1.8
83.04895	5.4
84.02042	0.5
85.02827	3.2
87.00746	3.7
89.02318	12.3
89.02832	0.9
95.01269	1.3
95.04901	0.4
96.95892	2.1
97.02814	2.2
99.00763	0.5
101.01685	1.0
101.02325	11.9
101.44373	0.4
110.34376	0.5
111.08031	0.9
113.02351	5.8
113.09612	0.5
119.03394	3.2
125.02341	5.3
131.03380	0.8
143.03387	2.1
143.94725	0.4
149.04485	0.6
161.04436	3.1
163.11226	3.9
163.81888	0.4
165.12766	2.3
167.10677	0.7
171.10205	1.5
179.05534	3.7
179.14383	0.8
183.13846	0.7
191.10733	1.2
195.13858	6.3
197.11699	2.7
199.13220	0.6
209.11772	91.0
210.12086	5.2
211.13342	6.5
217.07080	0.7
221.06656	1.3
223.13373	4.6
225.14885	0.8
227.12839	11.6
228.13347	0.9
235.08154	4.4
253.09340	1.5
256.13168	0.5
260.27167	0.5
275.20145	6.3
276.20410	0.8
287.07776	1.7
291.19550	2.4
292.20129	0.8
293.21222	100.0
294.21506	7.2
305.08868	2.1
309.20743	6.7
317.21271	0.6
323.09729	1.0
341.23276	2.2
379.12369	2.8
397.13504	31.7
398.13901	2.1
415.14545	13.8
416.14871	1.1
503.33154	0.5
554.43634	0.6
607.26288	1.6
673.33881	0.7
685.13226	0.5
691.35071	1.1
901.47113	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	1.1
71.01256	14.9
71.04909	0.5
72.99178	1.1
73.02818	2.0
80.02543	1.3
81.03333	2.1
83.01266	2.0
83.04899	5.8
84.02065	0.8
85.02827	4.3
87.00763	3.7
89.02317	13.5
95.01254	1.5
95.04903	1.0
96.95890	1.8
97.02836	1.6
99.00719	1.0
101.02325	11.0
111.00745	0.5
111.08026	0.7
113.02335	6.9
119.03387	2.6
121.10104	0.5
125.02341	4.9
125.05962	0.7
125.09607	0.5
127.03881	0.4
130.03584	0.4
131.03384	1.1
135.08109	0.6
143.03389	2.0
158.02443	0.4
161.04485	2.5
163.11192	5.0
165.12769	2.8
169.01343	0.5
171.10258	0.7
179.05554	3.5
179.14319	0.9
181.12253	0.6
191.10716	1.3
195.13846	6.1
196.14276	0.7
197.11801	0.6
205.12227	0.7
209.11772	93.3
210.12071	4.5
211.13301	3.4
217.07071	0.5
221.06544	1.3
223.13341	4.8
225.14847	0.7
227.12849	12.2
228.13455	1.0
235.08195	4.7
235.16977	0.6
245.06767	0.4
251.12790	0.5
253.09290	1.0
263.07776	0.8
275.20181	6.0
287.07770	1.4
291.19675	0.8
293.21231	100.0
294.21558	6.7
305.08792	1.8
309.20718	1.8
317.21417	0.7
323.09821	0.7
379.12314	3.0
397.13492	33.0
398.13788	2.3
415.14572	13.8
416.14911	0.6
497.35828	0.5
607.26160	1.6
691.35632	1.0
738.68359	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
66.92391	0.8
69.03341	1.3
69.72829	5.9
71.01256	22.4
71.04903	1.0
72.99187	2.2
73.02824	3.2
77.04053	0.8
80.02553	1.3
81.03332	3.3
81.22024	1.0
83.01279	2.6
83.04891	5.5
84.02058	1.6
85.02826	6.2
87.00764	4.7
89.02320	16.7
95.01241	1.6
95.04918	1.4
96.72301	1.0
96.95884	2.2
97.02831	3.9
99.00769	1.1
101.02325	14.2
107.84246	0.8
109.02799	1.4
109.06491	4.1
111.08051	6.8
113.02319	7.4
116.92776	0.9
119.03403	3.9
125.02322	9.2
131.03403	0.9
137.02303	0.9
141.01682	1.8
143.03416	3.1
161.04472	3.4
163.11215	7.4
163.12407	1.3
165.12772	2.7
167.03477	1.9
167.10608	2.4
169.01337	2.1
171.10179	1.5
179.05505	4.1
179.10669	1.5
181.12262	1.4
191.10696	0.9
195.13887	6.3
207.10225	12.2
209.11771	100.0
210.12141	4.2
211.13329	3.3
221.06653	1.9
223.13403	1.2
225.11259	7.7
227.12845	14.6
235.08221	3.9
247.20621	1.8
253.09358	1.2
275.20139	1.5
279.11960	0.8
291.19666	88.7
292.19937	5.0
293.21231	13.8
305.08862	2.4
309.20871	2.1
379.12439	3.3
397.13516	39.5
398.13943	1.1
415.14572	12.7
474.97006	1.1
520.03357	0.9
623.26086	1.8
671.32678	1.9
689.33813	4.1
767.94287	1.0
881.44958	1.9
899.46515	7.5
900.46655	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99689	2.6
70.88728	4.3
70.89074	4.1
71.01257	25.3
72.99181	10.9
73.02827	4.5
75.00751	29.6
83.91808	1.9
85.02827	27.1
85.67535	2.1
87.00753	7.4
89.02306	2.4
95.01242	7.0
99.00761	23.2
101.02329	3.6
103.00272	2.2
111.00735	3.2
113.02340	23.3
115.00249	2.9
117.01805	3.3
121.02782	5.5
123.04381	2.1
124.01525	3.3
125.02341	27.4
127.02764	1.8
129.01791	3.4
135.04408	8.3
137.02350	4.0
149.02324	11.3
150.03084	2.4
157.01332	4.2
163.03902	12.1
164.04703	9.0
169.01320	5.1
175.02415	4.8
177.01778	3.5
253.05025	5.3
254.05870	5.6
255.03098	2.8
257.04434	2.4
268.07501	2.1
269.08209	57.0
270.05331	16.2
270.08182	3.6
271.06064	2.5
285.04459	3.1
285.07681	51.8
286.08258	3.2
300.10052	51.0
301.03442	2.5
301.10730	8.0
315.12393	98.6
316.12787	6.1
333.80865	2.0
354.99646	2.2
477.17700	4.0
591.20758	5.3
695.22168	5.8
821.83972	2.3
839.26593	3.5
857.27118	100.0
858.27313	13.5
901.42188	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	899.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
62.91253	1.2
69.03323	3.3
71.01253	78.2
71.57710	1.9
72.01563	1.6
72.99171	3.0
73.02819	19.0
73.37249	1.1
75.00735	1.3
78.95798	1.7
81.03317	3.3
83.01255	9.5
83.04903	5.5
84.02030	1.5
85.02824	33.8
87.00742	4.7
88.98158	1.9
88.98679	26.2
89.02319	20.9
95.01242	4.2
97.02834	5.0
99.00770	7.1
101.02320	42.9
111.00745	2.3
111.04401	3.4
113.02333	24.7
115.38109	1.0
119.03389	8.6
125.02332	8.6
131.03378	1.8
143.03383	4.2
155.53423	1.4
159.02884	4.7
161.04460	21.5
165.47757	1.2
179.05573	5.6
221.06581	3.4
241.85306	1.3
263.07724	3.0
270.40250	1.1
296.35117	1.1
323.09747	9.2
371.22333	1.5
431.29056	1.2
515.30054	8.2
516.30768	1.2
524.78668	1.2
677.35376	29.9
678.35358	3.8
839.40643	100.0
840.41241	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
65.29558	1.0
69.03327	5.0
69.83448	6.8
71.01254	18.2
71.04892	2.2
73.02814	2.5
77.89447	1.0
80.96394	2.3
83.01263	1.8
83.04884	1.1
85.02827	2.2
87.00762	4.0
89.02323	13.3
95.01254	1.3
96.95875	1.7
97.02824	2.0
98.19901	1.6
101.02328	11.5
113.02339	4.3
119.03392	2.7
125.02357	6.2
125.09586	3.1
140.76921	1.3
143.03374	1.9
151.11211	1.8
152.57123	1.4
161.09624	2.7
164.00949	1.2
169.01303	2.2
169.12207	1.2
171.10158	1.4
175.02374	2.4
179.05736	1.5
179.10689	6.4
197.11772	62.2
198.12143	2.5
205.08823	1.2
207.10301	2.3
209.11725	2.5
211.13313	3.7
221.06578	3.2
223.09688	2.5
241.10780	4.7
277.21756	26.8
278.22101	3.1
293.20844	1.6
347.93652	1.3
397.13428	4.8
899.46490	100.0
900.46735	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	899.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03316	4.5
71.01253	18.3
71.58793	2.0
72.99196	1.5
73.02818	2.3
75.00755	1.6
80.96399	2.8
83.01280	2.0
85.02824	5.4
87.00758	2.3
89.02305	7.2
95.04916	1.2
95.97607	1.2
97.02834	2.1
99.00716	1.3
101.02333	9.5
111.04381	1.8
113.02291	3.0
114.88477	1.2
119.03397	1.5
121.02830	1.3
125.02332	7.7
125.09592	1.5
161.09584	2.6
169.01425	1.4
169.31216	1.3
175.02382	3.1
179.10719	6.0
197.11771	38.5
207.10228	1.8
209.11806	1.9
211.13321	6.4
221.06529	1.8
225.11391	1.6
235.08234	1.8
241.10767	2.3
241.14325	3.6
253.09206	2.7
277.21744	48.0
278.21988	2.9
293.21469	2.0
309.20636	2.1
310.21179	1.6
325.29434	1.4
397.13391	5.6
440.86539	1.7
609.73041	1.5
781.44055	2.0
899.46429	100.0
900.46570	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.236
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00196	1.3
69.58290	3.6
69.58701	1.8
74.02395	1.0
98.19852	0.8
104.23637	0.7
107.01270	1.8
108.02071	1.1
109.02892	0.8
121.02837	1.2
125.02304	2.4
148.01579	1.2
151.00298	6.7
158.80623	0.8
163.00276	1.1
165.01732	0.8
169.01279	1.2
178.99794	3.7
220.89285	0.7
226.02649	0.7
227.03371	1.9
243.02974	6.6
245.04419	0.8
245.09160	1.1
254.02176	1.2
255.02940	19.2
256.03357	1.4
271.02469	42.3
272.03018	3.7
273.03906	1.1
299.01968	1.6
300.02740	83.7
301.03436	21.9
302.03757	2.0
306.00400	0.8
343.04523	0.8
424.17911	0.8
552.59045	0.8
609.14600	100.0
610.14783	11.7
617.51428	0.8
927.36780	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03318	2.8
69.65046	5.1
71.01256	65.8
72.99184	3.4
73.02823	17.3
75.00735	1.4
77.87953	0.7
81.03342	1.8
83.01265	9.1
83.04896	3.1
85.02826	28.9
85.59936	0.7
87.00751	4.1
89.02322	18.5
93.03345	7.1
95.01263	5.5
95.04864	1.2
97.02837	4.3
98.19730	1.3
99.00771	6.2
101.02325	38.5
108.21516	0.7
111.00755	2.3
111.04389	2.9
113.02330	21.3
119.03391	6.3
121.02837	4.7
121.06434	0.9
123.04393	1.2
125.02336	7.4
129.01778	0.9
131.03389	2.0
139.03864	1.0
143.03452	3.8
149.04594	0.9
149.05986	2.5
155.03488	1.0
159.02936	4.3
161.04460	17.8
162.04718	0.9
179.05530	4.6
209.08018	1.1
221.06619	3.6
233.06561	1.0
245.06511	1.3
259.04144	0.8
263.07666	3.6
323.09827	10.5
497.29233	0.9
515.30060	11.1
516.30713	1.2
532.00201	0.8
554.19495	0.8
604.32355	0.8
626.66815	0.9
677.35413	20.2
678.35150	4.2
839.40729	100.0
840.41144	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5223
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01260	11.0
71.58611	5.9
89.02326	10.6
96.95896	12.8
101.02363	6.0
111.08036	14.7
111.73928	5.4
119.03458	6.9
125.02346	14.1
166.58733	5.7
169.18031	5.2
170.10339	6.2
197.11774	46.5
209.11742	8.9
211.13425	12.6
223.13454	11.2
228.16808	5.6
253.09297	22.8
277.21805	6.8
291.19659	30.2
293.21155	14.3
309.20752	100.0
385.21991	6.4
397.13541	8.3
554.69305	5.4
720.29291	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	897.5213
Annotation	Unknow
Peak:m/z	Relative Intensity
69.10837	3.2
70.77560	3.2
71.01254	13.4
71.58708	7.5
73.14103	3.1
80.96333	3.5
89.02321	6.3
96.95884	4.8
101.02302	7.3
111.08036	3.8
125.02372	10.7
144.77310	3.2
169.12268	3.8
171.10248	5.2
197.11777	27.0
209.11790	6.5
211.13348	4.3
223.13397	10.7
227.12878	3.8
233.05965	3.5
253.09239	16.8
264.42664	3.9
277.21655	7.9
291.19684	36.7
293.21289	8.1
309.20731	100.0
310.20999	4.5
397.13705	6.4
545.29639	7.2
567.61469	4.0
694.89960	3.8
897.45679	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	898.5215
Annotation	Unknow
Peak:m/z	Relative Intensity
62.63565	0.6
63.22651	0.6
71.57934	0.8
71.58330	0.7
78.95776	21.7
89.61769	0.7
100.65938	0.8
110.98411	2.0
112.31058	0.6
140.01068	4.9
152.99518	2.0
167.01105	1.4
185.02116	1.7
187.59525	0.7
196.03712	8.8
214.04797	1.1
221.58490	0.6
255.23268	100.0
256.23572	8.0
277.21707	61.5
278.22061	3.5
416.35852	0.7
445.23615	26.6
446.23840	2.2
451.63660	0.7
452.27823	79.6
453.28204	6.3
455.94223	0.7
512.73206	0.6
808.43805	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00224	0.9
71.58872	1.3
74.02362	2.0
83.01260	1.3
83.26941	0.7
90.89792	0.8
107.01266	2.0
109.02853	1.0
116.04926	0.8
121.02832	1.6
125.02346	1.4
148.01604	1.0
151.00298	7.3
154.72330	0.6
161.37321	0.7
163.00311	1.6
169.01346	1.9
178.99782	4.3
183.68083	0.7
203.08145	1.2
211.04066	0.7
226.02716	0.9
227.03456	1.5
243.02963	6.1
244.03766	0.8
245.04402	0.8
245.09314	2.1
254.02202	1.6
255.02965	16.5
256.03452	0.8
271.02484	35.4
272.02988	3.5
273.04260	0.8
274.65051	0.6
281.75610	0.6
283.02499	1.3
299.02048	0.7
300.02740	70.0
301.03491	30.5
301.06424	0.5
302.03955	1.8
361.16437	1.8
395.39090	0.7
477.06808	0.8
594.88434	0.8
609.14587	100.0
610.15033	13.4
610.24445	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.509
Annotation	Unknow
Peak:m/z	Relative Intensity
70.86875	5.5
71.01256	100.0
72.99179	3.6
73.02822	4.5
75.00771	4.4
78.95766	4.4
83.04834	1.7
85.02840	5.9
87.00771	5.4
89.02324	18.7
91.15774	1.9
95.01282	2.1
97.02843	6.0
99.00772	2.7
101.02342	18.4
109.06482	4.8
113.02354	8.6
119.03381	5.0
125.02350	8.8
125.09602	3.5
135.08060	2.3
137.09607	2.2
141.01639	21.2
143.03406	4.6
161.04507	4.5
163.11211	5.4
171.10178	42.8
179.05551	5.1
181.12206	1.8
199.09712	14.6
199.13426	2.4
201.11243	16.9
207.10184	20.8
209.11804	7.5
221.06671	2.0
225.11310	12.5
235.08160	6.2
243.12357	2.8
255.23268	74.2
255.25961	4.3
256.23529	4.9
269.24835	2.8
277.21805	4.1
291.17200	1.9
317.33618	1.8
379.12366	5.4
397.13440	35.3
398.13968	3.1
415.14627	8.7
623.25165	2.7
767.49573	2.3
835.47638	3.7
861.48254	10.1
862.49420	5.5
879.50073	3.3
897.50403	14.8
898.50739	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	897.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
67.90451	0.9
68.99673	1.1
69.03344	2.0
71.01254	100.0
71.58772	1.3
72.01603	1.2
72.99182	3.1
73.02805	4.3
75.00746	29.3
78.95804	1.2
81.03355	1.4
83.01266	2.3
85.02818	5.7
87.00742	5.1
89.02319	17.5
95.01260	3.0
97.02847	5.9
99.00748	1.9
101.02325	14.7
101.93867	1.0
103.07047	1.1
109.06466	4.8
111.00748	1.7
113.02321	8.8
119.03384	4.9
125.02327	7.9
125.09614	1.7
127.11156	1.8
131.03438	1.4
143.03404	3.0
161.04460	3.7
163.11195	2.0
163.81310	1.0
171.10182	50.0
172.10582	2.4
179.05553	4.7
181.12234	1.8
192.30472	1.0
199.09732	8.2
201.11316	9.2
207.10194	14.5
209.11740	2.3
215.12898	1.4
221.06625	2.2
221.11751	4.3
225.11336	10.4
235.08160	5.6
239.12817	1.5
243.12376	1.7
255.23271	62.5
256.23618	5.7
263.07773	1.4
277.21802	5.0
287.07739	2.8
293.21182	2.5
305.08789	1.1
309.20700	1.1
323.09946	1.5
379.12396	4.5
397.13486	36.7
398.13782	1.8
415.14426	9.4
488.50970	1.1
517.64783	1.2
623.25214	1.8
835.46759	2.2
841.46301	1.1
861.48712	5.4
871.64728	1.2
897.50684	11.3
898.50049	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	897.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	9.3
71.57676	0.7
72.99195	0.9
73.02818	2.4
73.88391	0.7
75.00753	3.9
81.03326	8.1
83.01234	4.2
85.02814	5.8
87.00756	2.2
89.02299	2.3
93.03349	5.2
95.01271	1.2
96.95888	0.7
99.00742	1.8
101.02323	5.8
107.01227	0.7
113.02328	4.5
115.46915	0.8
119.04922	7.2
123.04401	23.4
125.02322	12.9
132.74620	0.8
134.03540	0.8
135.04405	1.5
137.02333	1.0
149.02354	2.2
151.00272	2.6
161.04477	1.5
167.03409	57.7
168.03716	1.4
177.01762	0.7
179.03378	5.7
189.05504	1.6
191.03445	1.1
273.07666	100.0
274.08035	6.1
331.17389	0.9
358.86108	0.8
375.23865	5.9
391.19861	0.9
417.24860	6.4
419.23016	1.2
435.12888	15.1
436.13351	1.4
465.19745	23.7
466.20023	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	897.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03303	2.6
69.46957	0.9
69.47376	2.6
71.01254	16.0
72.69929	0.4
72.99177	1.3
73.02825	2.4
75.17060	0.4
77.29168	0.4
81.03342	0.4
83.01266	1.6
85.02817	3.6
87.00739	3.2
89.02319	11.6
93.03352	0.4
95.01255	1.1
95.04917	0.5
97.02831	1.7
99.00768	0.9
101.01688	0.8
101.02328	10.6
101.03001	0.6
113.02332	6.0
119.03391	3.3
125.02352	4.9
125.09579	0.5
131.03360	0.6
139.03906	0.8
143.03427	2.3
149.09639	0.5
161.04425	3.3
161.13306	0.5
167.10710	3.1
171.10226	0.4
177.12790	0.7
179.05550	4.1
179.10655	0.9
179.14323	3.3
195.13837	13.2
195.15552	0.8
196.14368	1.0
205.12260	7.2
206.12691	0.6
211.13322	0.4
221.06630	1.3
223.13350	68.6
224.13762	2.8
225.14941	0.9
235.08206	3.9
253.09332	1.2
256.13208	0.9
263.07813	0.4
275.20200	4.0
276.20578	0.4
283.17816	0.4
287.07751	1.0
293.21225	100.0
294.21579	6.8
305.08752	1.3
323.09708	0.9
379.12384	2.4
397.13495	33.0
398.13885	1.8
415.14532	13.1
416.15079	0.7
432.01367	0.4
445.75308	0.4
499.34207	0.4
603.26581	3.1
621.27545	7.8
622.27979	1.0
673.34613	0.8
691.00177	0.4
691.35394	1.9
713.51721	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.528
Annotation	Unknow
Peak:m/z	Relative Intensity
69.72359	3.4
70.95851	8.3
71.01260	15.6
75.00750	7.9
87.00773	5.1
88.98667	16.4
89.02325	20.6
101.02333	10.6
102.97034	3.6
113.02371	6.9
119.03378	3.7
125.02378	6.1
134.72917	3.1
165.12697	4.0
179.05469	4.0
191.10741	3.3
209.11794	100.0
227.12874	12.1
235.08202	5.5
255.23297	46.3
270.28430	3.6
374.99060	3.2
379.12625	6.7
397.13516	35.5
398.13803	4.0
415.14243	5.9
429.60776	3.6
475.00897	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	897.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
64.94220	0.2
68.99692	0.4
71.01255	13.4
71.57635	0.4
72.99177	2.7
73.02811	1.1
74.10913	0.2
75.00748	15.8
83.01238	1.5
85.02821	16.6
86.03156	0.4
87.00756	4.3
88.95662	0.2
89.02321	4.4
95.01271	1.5
97.02836	0.4
99.00755	5.1
101.02321	3.6
103.00233	0.4
104.06102	0.3
111.00755	0.7
112.01524	0.6
113.02332	16.6
115.00273	1.5
117.01801	1.0
119.03384	1.4
125.02325	0.8
129.01831	0.6
131.03413	0.5
133.01346	0.3
149.02342	0.5
157.01306	0.6
164.04680	0.4
167.03383	0.6
173.04495	0.9
175.02435	1.1
191.03523	0.4
192.03741	0.2
223.06027	0.5
227.03363	0.5
236.24997	0.3
255.02840	0.3
273.07614	0.5
284.03305	0.8
285.04004	0.9
339.36502	0.2
347.17142	0.5
431.09866	0.7
453.33652	0.3
465.19760	100.0
466.20132	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	895.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
68.13966	2.5
69.40728	16.0
69.41151	9.2
71.01263	9.1
78.82750	3.1
83.04935	2.8
84.64097	2.4
85.02850	5.0
87.00751	4.5
89.02315	7.1
97.02829	7.9
101.02288	3.1
111.08060	6.2
111.79100	2.9
113.02350	4.0
123.04369	3.7
125.09613	5.3
137.02301	2.9
137.09602	5.7
141.50630	2.9
163.11240	8.8
165.12766	8.0
171.10190	6.1
185.11807	6.3
191.14323	7.9
197.11766	14.6
207.10225	4.0
209.11850	18.1
210.11964	3.1
211.13391	3.6
227.12825	4.4
235.08279	5.0
245.18988	17.6
247.20549	3.3
253.09337	24.0
263.20154	5.9
271.17172	4.9
273.18634	3.8
288.72559	3.4
289.18115	77.7
290.18320	7.7
291.19681	60.8
291.22388	1.7
292.20096	3.8
307.19153	72.0
308.19620	5.7
309.20731	100.0
310.21036	7.0
347.54953	2.8
543.27979	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	895.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	15.2
71.59177	6.1
72.34892	3.4
72.99178	2.9
85.02836	3.7
87.00755	9.9
89.02343	3.6
97.06518	6.5
101.02353	9.3
111.08035	15.1
113.02332	6.3
116.10060	3.1
125.02379	4.8
125.09591	7.2
161.04546	5.3
163.11230	7.4
165.12773	5.3
169.12283	5.0
181.12389	4.2
191.14354	7.7
197.11765	82.0
199.13324	6.2
207.10167	3.9
209.11778	26.5
211.13416	12.6
235.08163	5.5
237.11470	3.4
245.19072	15.6
253.09268	31.7
263.20157	11.2
265.18188	3.1
289.18118	84.3
290.18503	4.7
291.19611	22.9
307.19165	95.0
308.19543	5.1
309.20734	100.0
313.18900	3.7
324.81000	3.0
397.13193	4.0
444.13345	3.1
445.20752	4.2
665.49603	3.5
688.30914	4.0
721.40887	4.1
895.48132	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	895.4695
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03316	2.5
70.27187	5.2
71.01258	21.3
73.02827	2.6
83.01228	1.8
85.02817	7.4
87.00770	4.7
89.02322	16.1
93.03297	1.7
97.02834	3.6
101.02331	13.6
109.06487	1.9
111.08066	9.5
113.02341	7.9
113.09612	1.4
119.03423	4.4
125.02339	9.8
135.11661	1.7
143.03459	3.2
161.04497	3.8
167.10744	4.4
169.16028	1.4
177.12775	3.9
179.05507	4.8
179.10719	2.6
179.14349	2.2
195.13841	16.4
205.12227	8.4
221.06630	3.4
223.13351	78.9
224.13704	4.1
235.08316	4.1
247.20645	1.5
263.07803	1.6
273.18503	2.4
287.07742	2.0
291.19672	100.0
292.20026	6.1
363.66360	1.4
379.12405	3.7
397.13495	39.6
398.13516	1.6
415.14713	9.0
456.84479	1.5
560.16241	1.5
603.26312	4.1
621.27258	7.4
671.33215	5.0
689.34003	5.9
825.58057	1.7
877.46674	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	895.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99710	2.4
69.29946	16.8
71.01247	30.3
72.99186	2.0
73.02802	8.0
74.53347	1.8
75.00745	17.6
78.95789	2.0
83.01254	3.4
85.02824	28.3
87.00756	7.4
87.04411	2.5
89.02324	2.4
95.01244	4.5
99.00753	14.8
101.02322	6.5
113.02347	9.0
115.00268	1.5
115.03937	3.3
131.03395	6.2
143.03406	6.3
163.06088	1.8
171.28664	1.6
182.06348	1.5
205.07103	3.8
220.41353	1.6
314.33423	1.4
356.26730	1.5
382.12988	1.5
435.50128	1.7
439.35910	2.3
509.40292	1.6
877.49805	2.1
895.50604	100.0
896.50763	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	895.4557
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03342	1.1
69.33434	3.2
69.33855	2.8
71.01257	20.4
72.99183	0.7
73.02822	2.1
74.74732	0.6
78.95766	0.5
81.03316	1.1
83.01260	1.2
85.02837	3.1
87.00758	2.4
88.98701	0.9
89.02320	8.2
95.01245	0.7
97.02843	2.5
99.00770	1.0
101.02317	7.1
102.93250	0.6
109.06451	0.9
111.00824	0.6
113.02328	4.7
119.03372	2.5
125.02348	5.9
133.04973	0.6
133.43640	0.6
137.02362	0.7
143.03395	1.7
146.14851	0.6
149.02275	0.6
161.04498	1.9
163.11136	1.0
167.03488	0.9
167.14241	0.7
169.01276	1.4
171.10234	1.5
179.05533	1.9
181.12173	0.8
183.13814	7.5
193.12282	1.8
201.11230	1.0
207.10208	4.6
208.68399	0.6
209.11780	2.3
211.13341	100.0
212.13651	5.5
217.07106	0.9
221.06613	0.7
221.15286	1.2
225.11307	2.8
227.12843	1.4
235.08183	2.8
236.10530	1.1
287.07855	1.4
323.10028	0.7
379.12555	6.0
397.13504	23.5
398.13788	1.1
401.23175	0.8
415.14584	4.1
416.14008	0.7
419.24286	0.7
493.57144	0.7
543.01154	0.7
591.26630	10.1
592.26923	1.0
609.27606	9.1
623.24963	0.9
785.39240	2.1
786.40125	0.9
799.37305	1.6
803.40259	1.7
817.38666	2.1
818.39899	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.4186
Annotation	Unknow
Peak:m/z	Relative Intensity
64.27740	2.7
71.01259	100.0
71.46568	5.1
73.02807	4.7
78.95794	3.8
80.47260	3.6
83.01300	3.6
85.02831	8.1
88.98683	12.9
89.02337	15.6
95.01257	4.2
96.95903	5.3
97.02855	7.5
99.00787	5.1
100.25367	3.0
101.02329	17.3
109.06484	19.0
113.02294	8.1
119.03366	5.2
123.59372	3.0
125.02344	15.6
135.08093	3.4
143.03433	3.2
161.04501	3.4
163.11171	10.3
169.01378	6.6
171.10173	18.6
177.01942	3.1
179.05547	4.2
181.12233	4.2
183.13783	7.8
197.76704	3.0
199.13374	5.0
201.11261	10.0
207.10214	47.4
209.11682	14.9
211.13379	64.1
211.86560	3.3
212.13672	3.6
213.83409	3.2
225.11252	34.7
227.12807	9.2
235.08214	4.2
285.04077	2.8
391.24356	4.5
397.13449	31.5
401.23254	9.9
415.14679	8.2
419.24292	5.2
574.34137	3.7
605.24738	4.5
623.25580	11.9
718.73242	3.8
799.37561	8.0
817.38922	19.7
818.39764	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	895.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
62.03112	3.0
71.01256	100.0
71.59709	3.9
73.02824	5.1
83.04919	2.9
85.02831	6.6
87.00777	4.0
87.40367	2.3
88.98684	5.7
89.02331	12.9
97.02822	3.9
99.00800	3.5
101.02332	15.5
109.06518	15.0
110.49533	2.9
113.02318	9.9
119.03401	4.6
125.02373	15.1
129.00806	3.1
131.03395	3.0
142.02634	3.5
161.04442	4.1
163.11168	10.9
169.01361	3.2
171.10194	9.3
179.05600	4.9
181.12277	5.0
183.13799	8.2
197.65907	2.9
201.11272	5.3
207.10211	41.4
209.11804	14.0
211.11465	5.5
211.13344	79.7
212.13583	2.9
225.11259	22.7
227.12770	12.8
235.08162	4.7
301.91006	2.6
302.25488	2.9
391.25052	5.9
397.13400	31.6
401.23544	7.0
415.14789	6.6
419.24469	4.6
605.25110	3.1
623.25482	4.8
673.35187	3.1
680.29321	3.3
799.37518	10.2
817.38922	16.4
818.39496	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	895.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
69.49728	4.2
92.82005	0.4
103.05082	0.5
103.58027	0.5
107.01254	1.3
121.02834	1.1
149.02383	0.5
151.00279	7.2
152.94211	0.6
163.00284	2.2
178.99815	3.4
180.89731	0.5
203.03474	0.6
216.71890	0.5
225.08488	0.5
227.03461	1.2
234.99147	0.5
243.02985	3.2
245.04439	0.9
250.67856	0.5
255.02974	10.0
256.03439	0.7
271.02463	18.5
272.03009	1.6
273.03989	0.9
283.02515	1.2
299.01764	0.6
300.02744	49.3
301.03497	39.8
302.03857	1.8
314.05402	0.5
447.09299	100.0
448.09683	8.5
525.59698	0.5
621.81628	0.5
683.92517	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
67.27278	3.4
71.59442	6.5
82.86685	3.1
83.01277	5.0
87.52453	3.6
93.03316	5.3
101.31705	3.9
109.02822	16.3
112.28143	3.6
121.02839	9.9
123.00752	3.8
123.04394	10.0
125.02347	100.0
127.18142	3.5
133.02809	3.7
135.04393	3.8
137.02332	22.8
140.99979	3.3
147.00783	13.8
149.02332	13.7
149.30389	3.4
151.03906	13.3
161.02428	7.5
163.00290	24.4
163.03905	8.1
164.01094	5.7
165.01854	10.3
167.03477	8.2
169.01334	11.6
175.00298	26.7
175.03922	10.5
177.01868	67.8
177.05383	3.7
187.03951	6.3
187.14816	3.3
188.04608	4.3
189.01775	3.8
191.03366	12.1
201.01984	4.3
202.02550	5.1
203.03458	5.9
205.04961	7.5
215.03519	5.0
217.01389	7.3
217.04860	4.9
219.02899	5.7
227.03416	8.1
229.05006	12.8
233.04521	5.9
243.02985	12.8
255.02983	28.7
256.03616	8.4
257.04578	9.0
261.03964	5.9
267.07123	3.9
273.03992	12.1
281.04630	4.7
283.02640	6.7
285.04034	9.0
289.07129	17.2
295.61646	4.3
300.02551	6.8
301.03491	39.4
303.04999	10.6
323.05490	5.1
339.08649	4.1
407.07639	32.7
439.06638	13.0
465.08069	9.4
469.07745	4.4
525.08649	7.4
555.08997	6.5
575.08258	63.6
576.08368	10.6
583.08777	15.0
591.11511	23.1
709.11945	29.0
727.13275	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	895.173
Annotation	Unknow
Peak:m/z	Relative Intensity
71.59087	6.1
74.19846	4.2
83.01261	5.7
88.63141	3.6
98.33713	4.2
106.34570	4.2
109.02821	24.0
117.44045	4.0
121.02852	8.3
123.04412	11.6
125.02338	67.7
137.02361	32.1
145.02759	4.7
149.02353	22.7
151.03891	10.1
161.02303	6.3
163.00272	30.2
163.03908	9.4
164.01030	6.8
165.01828	11.6
167.03407	6.8
169.01381	4.2
175.00285	14.9
175.03871	9.0
176.00981	6.2
177.01859	100.0
179.03389	4.7
187.03972	9.8
191.03465	15.5
203.07106	6.4
205.05064	5.2
206.24350	4.1
215.03471	8.8
217.01283	5.6
219.02873	5.1
233.04471	6.9
243.02980	14.6
245.08109	10.1
255.02892	11.7
257.04401	4.8
261.04071	7.0
281.04688	6.3
283.02585	7.0
289.07156	82.4
301.03473	61.5
303.05154	4.5
305.06854	7.1
309.64023	4.5
315.05084	9.9
407.07672	22.1
425.08759	13.0
427.06714	94.8
428.07214	11.8
467.09625	17.0
546.09796	5.0
553.17261	4.3
575.08081	19.6
591.12231	5.7
593.12836	11.0
709.12366	8.7
727.13092	20.8
728.13190	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	895.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02259	0.8
65.00185	0.7
65.58228	0.5
66.87173	0.5
69.57774	1.5
69.58204	2.4
71.01250	4.3
72.72968	0.5
72.99191	0.8
83.01251	1.1
85.02826	5.1
87.00765	1.2
89.02306	0.6
93.03323	1.9
95.01258	1.2
99.00748	2.3
103.00254	0.7
107.01265	2.1
107.94744	0.5
108.02026	1.0
109.02834	1.3
113.02332	11.3
119.04868	0.5
121.02837	0.8
125.02349	2.0
125.61720	0.6
131.05002	0.5
135.00789	0.8
137.02365	0.6
143.04924	1.2
149.02280	0.7
151.00261	5.5
153.01868	0.7
157.05347	0.7
157.06522	1.2
159.04431	1.7
163.00278	3.4
165.01855	1.3
167.03407	0.6
169.01312	1.8
169.02635	0.5
169.06432	0.7
171.04468	0.7
175.02386	4.5
175.78708	0.5
177.01849	0.7
178.99762	2.1
185.05934	2.6
187.03932	2.6
189.05469	1.0
199.03937	0.6
203.03391	0.8
211.03923	1.9
213.05534	1.9
215.03548	0.8
226.02588	1.6
227.03448	3.8
229.05020	9.1
230.05235	0.6
239.03384	1.0
241.05128	0.8
243.02982	5.7
244.03471	0.6
254.02141	1.4
255.02959	16.9
256.03461	1.8
257.04565	4.3
271.02472	36.2
272.02896	2.3
284.03244	1.4
285.04037	80.0
286.04395	4.3
299.02161	0.7
300.02740	64.5
301.03430	16.6
302.03842	1.1
433.07712	100.0
434.07980	7.6
447.09180	1.8
461.07248	28.6
462.07507	2.7
541.31934	0.6
727.60699	0.6
898.38824	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
62.83444	1.2
65.86749	1.6
68.92805	1.5
70.87834	1.3
71.01247	9.3
71.06978	3.2
72.99145	1.9
73.02825	2.2
81.03329	2.8
83.01249	4.4
83.04886	2.2
85.02821	2.6
87.00752	3.3
89.02316	5.7
89.20953	1.2
95.04887	3.8
96.95865	1.5
97.02843	3.0
97.06469	5.1
98.25883	1.5
101.02328	8.7
104.97839	1.8
109.06484	1.6
113.02311	3.4
119.03403	1.8
119.08579	1.8
123.04395	5.7
123.08009	1.5
125.02242	2.8
125.09616	8.0
135.08043	1.9
137.09599	5.7
161.04466	2.9
163.07570	2.9
163.11217	9.2
165.12770	3.0
169.01323	1.5
171.10185	8.8
175.11153	2.3
181.12190	2.8
185.11746	10.8
191.14301	9.1
207.10167	6.0
209.11765	23.8
211.13341	2.9
223.13492	1.4
225.11240	6.6
226.12216	1.8
235.08154	3.3
237.11316	4.4
245.19069	22.6
253.09267	15.6
263.20132	5.0
269.24933	6.6
270.25253	1.4
271.17105	4.8
289.18088	100.0
290.18423	7.3
305.17389	1.5
307.19153	90.1
308.19553	7.3
309.20642	2.1
343.21027	1.4
397.13577	4.3
441.43192	1.4
499.30975	1.9
525.27551	1.7
543.28503	2.3
637.31232	1.7
838.09674	1.4
893.51245	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	895.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36919	1.8
69.37344	4.6
71.01265	4.5
74.02386	0.6
77.15131	0.7
83.01276	1.1
85.02832	5.6
87.00745	1.7
93.03320	1.7
95.01275	1.5
99.00733	2.2
103.00235	0.9
107.01262	2.6
109.02790	1.1
113.02336	10.1
116.17322	0.8
121.02806	1.6
125.02327	1.1
143.04965	0.8
148.01526	1.1
149.02365	1.0
151.00275	7.5
152.13078	0.7
157.06578	0.7
159.04366	0.9
163.00243	2.8
165.01868	5.6
169.01343	1.3
175.02414	3.5
178.99776	2.9
185.05980	2.4
187.03934	2.4
197.05972	1.1
199.03825	0.9
211.03960	1.6
213.05533	1.8
226.02563	1.0
227.03453	3.2
229.05072	7.2
233.99179	0.8
239.03262	1.0
241.04924	0.9
243.02925	5.5
245.04469	1.2
254.02219	1.5
255.02982	14.8
256.03568	1.4
257.04587	4.8
271.02515	28.3
271.06003	4.6
272.03009	2.6
273.04077	0.9
275.90079	0.7
283.02493	0.9
285.04056	68.1
286.04395	6.5
300.02762	59.5
301.03519	36.5
302.03915	2.4
433.07642	100.0
434.07898	9.4
461.07297	26.1
461.13928	1.1
462.07770	3.2
462.13489	0.8
538.65753	0.7
698.42108	0.8
869.33331	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00172	1.3
71.00890	0.9
71.01257	3.3
71.60424	1.0
75.00766	1.1
81.03357	2.7
83.01260	1.4
85.02832	2.9
89.02313	1.4
95.01298	1.0
101.02331	1.1
101.05959	0.9
107.01265	2.5
109.02863	1.5
111.00772	1.1
113.02325	1.9
119.04917	2.6
123.00755	2.5
123.08016	1.4
123.22169	0.8
125.02338	19.9
125.05975	2.7
137.02315	1.7
139.00233	1.0
140.01048	2.0
147.08163	0.9
149.02448	1.2
151.00296	3.4
161.02330	0.9
165.01843	1.0
165.09138	21.5
167.03331	1.1
168.00549	6.5
169.01335	19.6
170.01695	1.5
191.06972	1.1
209.08144	100.0
210.08452	6.0
211.02431	35.7
212.02934	1.0
241.03601	1.7
271.04565	63.5
272.04608	1.4
272.06793	1.2
273.06790	1.5
317.02997	0.9
329.06909	0.9
331.06744	23.3
332.07260	1.1
371.13409	12.7
372.14294	0.9
521.20337	35.5
522.20978	4.1
680.61774	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4758
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00205	0.4
71.01276	0.3
73.02827	0.2
81.03338	3.7
82.70460	0.1
83.01256	1.0
83.04893	0.1
85.02845	0.3
89.02332	0.2
97.02852	0.2
99.04403	0.3
99.08029	0.4
101.02296	0.2
101.05968	0.3
103.32185	0.1
107.01252	0.6
113.02322	0.2
116.59283	0.1
119.04895	0.1
121.02814	0.3
122.03623	1.6
123.04414	0.2
123.08047	1.7
124.01485	0.1
125.02345	6.1
125.05975	3.2
126.02710	0.2
139.03914	0.2
141.09084	0.1
149.02316	0.6
151.00304	1.6
165.09132	24.1
166.02696	0.2
166.09464	1.0
167.03320	0.3
169.01321	0.4
191.07082	0.8
205.08749	0.3
209.08141	100.0
209.85469	0.1
210.08473	4.5
211.08745	0.1
233.08226	0.5
251.09196	0.8
301.03558	0.1
329.03146	0.3
344.05273	0.2
371.13477	12.8
372.13919	1.0
398.04208	0.2
520.29736	0.2
521.13068	0.2
521.20331	0.7
522.20227	0.2
699.88983	0.1
727.03333	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	893.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02251	2.3
63.45607	0.7
65.00189	2.8
70.88898	1.2
70.89253	1.7
71.01248	2.8
73.13857	0.6
77.03584	0.6
77.92132	0.5
81.03317	2.3
83.01247	3.3
84.69247	0.7
85.02819	1.5
93.03326	1.5
95.15241	0.7
99.00716	0.8
100.43710	0.7
101.49429	0.7
107.01278	6.9
109.02845	3.4
113.02337	1.5
119.37804	0.7
121.02837	6.6
123.04404	20.1
125.02335	3.1
135.00777	0.8
137.02261	0.9
139.03877	0.8
141.98929	0.6
149.02321	1.3
151.00279	28.6
151.03908	0.8
152.00734	0.8
159.04405	0.9
163.00288	3.9
167.03407	66.9
168.03745	2.8
169.01329	2.4
178.99780	14.2
179.03323	0.9
181.04956	1.9
187.03954	1.0
191.03423	14.5
193.01376	0.8
201.05493	0.8
209.04463	5.8
211.03925	1.9
214.86931	0.7
221.04614	2.0
227.03441	1.9
229.05016	1.8
239.03586	1.0
240.08801	0.7
243.03038	0.8
245.04480	2.5
255.02985	4.6
257.04568	0.8
271.02521	0.9
273.04044	2.4
283.02484	2.5
301.03519	100.0
302.03830	5.2
371.09787	24.2
372.10162	2.7
432.10519	0.7
477.06732	58.4
478.07034	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	893.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00172	1.3
71.00890	0.9
71.01257	3.3
71.60424	1.0
75.00766	1.1
81.03357	2.7
83.01260	1.4
85.02832	2.9
89.02313	1.4
95.01298	1.0
101.02331	1.1
101.05959	0.9
107.01265	2.5
109.02863	1.5
111.00772	1.1
113.02325	1.9
119.04917	2.6
123.00755	2.5
123.08016	1.4
123.22169	0.8
125.02338	19.9
125.05975	2.7
137.02315	1.7
139.00233	1.0
140.01048	2.0
147.08163	0.9
149.02448	1.2
151.00296	3.4
161.02330	0.9
165.01843	1.0
165.09138	21.5
167.03331	1.1
168.00549	6.5
169.01335	19.6
170.01695	1.5
191.06972	1.1
209.08144	100.0
210.08452	6.0
211.02431	35.7
212.02934	1.0
241.03601	1.7
271.04565	63.5
272.04608	1.4
272.06793	1.2
273.06790	1.5
317.02997	0.9
329.06909	0.9
331.06744	23.3
332.07260	1.1
371.13409	12.7
372.14294	0.9
521.20337	35.5
522.20978	4.1
680.61774	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.5324
Annotation	Unknow
Peak:m/z	Relative Intensity
66.76173	0.6
67.62991	0.6
69.03336	0.7
70.32886	0.6
71.01252	19.2
71.16944	1.3
72.99162	1.4
73.02818	2.1
78.95758	1.6
80.02540	1.4
81.03335	2.9
83.01247	2.2
83.04908	3.9
83.30608	0.7
84.02023	0.8
85.02830	4.8
87.00747	5.5
89.02325	14.1
95.01273	1.3
95.04896	0.9
97.02833	2.6
99.00759	0.8
101.02320	13.0
111.04368	0.6
113.02346	8.0
119.03385	4.6
125.02341	6.6
125.05977	1.1
131.03352	1.4
135.08028	0.7
139.03870	0.7
143.03429	3.3
161.04451	3.6
163.11182	3.5
165.12746	2.7
167.03534	0.8
179.05548	3.0
181.12332	0.7
182.17583	0.7
209.11771	100.0
210.12129	3.7
217.07047	0.7
221.06644	2.2
227.12817	12.5
235.08177	6.0
251.13414	0.6
283.26410	61.1
284.26859	3.5
287.07742	1.6
297.28091	0.9
305.08789	1.7
323.09778	1.0
379.12451	7.1
397.13495	41.9
398.13657	1.9
415.14532	8.8
607.26343	1.0
643.24286	0.8
681.40228	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.5328
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03345	1.7
70.47282	0.6
71.01257	16.1
72.99186	1.6
73.02827	2.6
78.95781	1.6
80.02568	1.7
81.03339	1.6
82.61854	0.7
83.01255	1.8
83.04905	4.4
85.02821	4.2
87.00752	4.6
89.02321	15.0
95.01239	1.7
95.04926	0.9
97.02824	2.9
97.30820	0.8
98.20692	1.5
99.00784	1.3
101.02319	13.7
111.04445	0.9
113.02328	6.9
119.03387	3.9
125.02340	6.5
129.26074	0.7
131.03337	0.8
135.68065	0.7
139.03929	1.0
143.03413	2.4
161.04498	2.4
163.11212	3.8
165.12779	2.5
171.10194	0.7
179.05605	3.6
191.10643	0.7
209.11774	100.0
210.12039	3.8
221.06593	1.2
227.12834	12.0
235.08168	3.7
244.24715	0.8
283.26428	64.2
284.26785	3.1
287.07700	1.9
297.27917	0.9
305.08734	2.5
323.09930	1.0
362.89789	0.8
379.12521	6.2
397.13519	41.7
398.13773	2.0
406.31256	0.7
415.14572	8.8
573.75262	0.7
607.26288	1.1
627.85394	0.8
681.40393	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.4752
Annotation	Unknow
Peak:m/z	Relative Intensity
66.25152	0.5
67.01746	0.6
68.99702	3.2
69.03329	3.1
69.64889	0.6
70.69411	2.0
71.01257	21.1
72.99169	2.2
73.02821	1.0
75.00751	15.9
78.95758	0.6
81.11106	0.5
83.01239	2.4
85.02826	23.2
85.99956	0.6
87.00739	1.7
89.02335	7.3
94.81505	0.5
95.01294	3.5
97.02232	0.7
97.02819	5.8
99.00763	16.0
101.02306	1.7
103.93282	0.6
106.70345	0.5
112.01540	0.9
113.02339	13.7
116.92815	0.5
125.02341	10.4
129.01756	0.7
131.03362	0.7
139.00267	0.6
157.01328	1.4
201.65865	0.5
242.55617	0.6
271.02222	0.5
381.52838	0.5
429.18201	0.5
452.05981	0.7
474.54669	0.6
542.21906	0.5
640.68671	0.6
891.47443	100.0
892.47693	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	889.5166
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03329	1.0
71.01254	18.6
72.99170	1.3
73.02830	2.7
78.95781	0.9
80.02546	0.5
81.03320	1.7
83.01263	2.2
83.04890	4.6
84.02024	0.9
85.02833	4.0
87.00753	3.7
88.84171	0.6
89.02318	13.7
90.02588	0.5
93.03344	0.6
95.01266	1.5
97.02811	3.5
98.20551	1.4
99.00761	1.5
101.02324	12.7
109.06506	0.8
111.04405	0.7
113.02329	6.6
115.54816	0.4
119.03394	4.0
125.02340	5.4
125.05977	0.6
128.35803	0.5
131.03391	1.0
139.03883	0.5
143.03432	3.0
143.04448	0.5
161.04494	2.9
163.11205	4.7
165.12769	1.8
167.03339	0.8
179.05536	3.6
191.10764	1.0
207.10220	2.2
209.11768	100.0
210.12157	3.7
217.07117	0.7
221.06624	1.2
225.11292	1.5
227.12833	12.6
235.08162	6.1
253.09265	1.2
281.24860	57.0
282.25107	4.1
283.26395	2.0
287.07706	1.3
295.26642	0.8
305.08771	1.8
323.09860	1.2
379.12466	7.0
397.13492	39.4
398.13849	2.1
415.14578	8.9
679.39392	0.9
889.51184	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	889.5172
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98718	0.5
68.58083	0.3
69.03321	1.1
71.01257	17.0
72.99198	1.8
73.02827	2.7
75.00752	0.8
78.95788	1.7
80.02539	0.8
81.03339	2.1
83.01263	2.4
83.04898	4.7
84.02014	0.4
84.40178	0.4
85.02818	4.2
87.00759	4.2
89.02318	12.0
93.03353	0.3
95.01273	1.6
95.04893	0.8
97.02821	2.9
98.19778	0.8
99.00758	1.1
101.02330	13.0
106.27511	0.4
107.33100	0.4
109.02798	0.4
111.04420	0.7
113.02334	7.7
116.92739	1.1
119.03387	4.2
121.02850	1.1
125.02339	6.3
125.05958	0.6
129.01796	0.5
131.03433	0.5
133.04948	0.6
135.08038	0.8
141.01837	0.9
143.03404	2.7
161.04480	2.9
163.11195	3.8
165.12794	2.1
179.05522	3.4
181.12219	0.5
191.10696	1.1
199.06125	0.6
207.10237	0.4
209.11778	100.0
210.12143	5.1
217.07082	0.5
221.06642	1.3
225.11153	0.5
227.12849	13.5
228.13152	0.6
235.08185	5.0
236.08638	0.5
245.06519	0.5
253.09229	0.9
255.23280	1.2
259.07925	0.5
259.73056	0.3
263.07681	0.6
281.24863	59.5
282.25214	3.8
283.26364	0.5
287.07700	1.6
295.26526	0.5
305.08746	2.1
323.09824	1.4
365.08774	0.5
379.12521	6.2
397.13498	40.3
398.13864	2.7
401.88205	0.3
415.14566	10.1
607.25940	0.5
679.39331	0.9
715.42694	3.5
716.42975	0.6
748.87164	0.4
889.50940	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
64.23274	1.1
71.01254	26.4
71.04899	3.0
71.13524	3.3
73.02813	7.5
83.01267	2.9
85.02821	7.2
89.02305	5.7
95.01268	2.8
95.04918	1.3
97.02820	2.4
99.00755	3.0
101.02330	14.0
108.82641	1.3
113.02337	12.7
119.03381	1.9
122.90733	1.3
125.02344	4.5
138.06738	14.4
143.03354	1.5
148.87694	1.1
151.00229	1.6
152.08461	1.5
153.09113	52.1
154.09528	1.6
161.04471	8.1
169.01332	3.1
169.12552	1.4
177.01932	1.6
179.03394	3.6
194.05806	5.6
203.05588	2.2
207.13791	3.7
209.08153	6.5
225.14911	100.0
226.15178	4.7
243.03033	1.5
255.03004	2.5
271.02551	3.7
285.03995	2.2
300.02841	8.9
301.03516	5.5
327.05154	3.6
331.17493	3.2
369.19125	28.7
373.18744	5.9
387.20209	19.5
417.08185	6.5
429.21259	83.8
430.21640	6.9
431.19357	1.6
433.07526	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	889.5162
Annotation	Unknow
Peak:m/z	Relative Intensity
63.28006	0.5
69.03339	0.7
69.89381	3.1
71.01257	18.7
72.99194	1.2
73.02802	2.4
78.95805	0.8
80.02550	1.2
81.03324	2.6
83.01256	2.2
83.04895	4.8
84.02040	0.8
85.02834	4.7
87.00761	3.8
87.04356	0.5
89.02320	14.6
89.98141	0.5
95.01262	1.9
95.04877	1.0
95.36115	0.5
97.02816	2.8
98.19629	0.5
99.00764	1.3
101.02322	11.9
111.00799	0.7
112.46780	0.5
113.02332	8.1
119.03407	3.5
121.02875	0.8
125.02362	5.4
125.06046	0.5
131.03384	0.7
137.49854	0.5
139.03946	1.0
143.03386	2.3
161.04436	3.3
163.11201	4.2
165.01895	0.6
165.12801	2.9
171.10176	0.5
179.05534	3.5
181.12259	0.8
191.10669	0.9
199.09677	1.0
207.10179	1.0
209.11775	100.0
210.12138	4.8
217.07135	0.8
221.06657	2.2
225.11157	0.5
227.12874	12.5
228.13167	0.7
235.08163	5.4
253.09229	1.4
276.82480	0.5
277.21622	0.6
281.24854	66.2
282.25177	4.9
287.07654	1.8
293.21115	0.6
305.08774	1.9
323.09720	1.0
323.26117	0.5
379.12485	5.9
380.13196	0.8
384.45502	0.5
397.13492	40.2
398.13760	2.9
415.14566	7.9
416.14957	0.9
441.99231	0.5
607.26111	0.7
648.05536	0.6
679.38928	0.9
889.50635	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
63.13743	1.9
70.07561	6.7
70.07967	3.9
78.95784	7.7
78.97683	2.0
96.95893	4.2
97.78593	2.2
116.92821	2.0
121.02863	10.8
125.02361	3.2
146.40398	2.0
155.04935	3.5
183.04474	4.0
183.64795	2.5
199.03845	3.5
199.42885	2.1
202.21681	2.4
209.04482	7.3
211.03969	5.9
213.75922	2.2
227.03423	14.7
231.08311	2.4
237.34274	2.2
255.03079	6.6
258.13007	2.2
283.02460	11.7
298.04837	56.3
302.95172	2.2
313.07181	100.0
314.07541	5.6
401.08813	7.3
662.09210	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	889.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01762	0.6
68.99681	0.3
69.03315	0.4
71.01247	2.0
72.99197	0.6
73.02821	0.7
78.67892	0.4
79.01755	0.8
83.01268	0.7
85.02811	1.0
87.00723	0.5
95.01250	0.9
97.02827	0.5
98.27799	0.4
101.02328	1.0
107.01268	4.2
107.58797	0.4
111.00752	1.1
113.02340	1.0
123.00760	8.0
124.01581	0.7
125.02334	29.8
126.02621	0.7
127.00246	0.5
135.04373	0.5
136.98721	0.6
137.02344	0.6
139.00237	2.8
140.01039	2.0
141.01823	1.2
148.05197	25.8
149.06018	1.8
151.00278	7.3
163.03949	2.7
163.07556	15.8
163.08942	0.8
164.07944	0.5
167.03464	0.5
168.00536	3.5
169.01331	42.1
170.01659	1.2
178.06267	2.9
183.02856	1.0
192.92584	0.4
193.08630	4.5
207.06586	0.4
223.02319	0.6
241.03406	0.9
253.03447	0.7
313.05643	10.9
314.05887	0.6
339.46991	0.4
401.44965	0.4
447.12943	0.8
477.13992	100.0
478.14362	5.9
766.64368	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4812
Annotation	Unknow
Peak:m/z	Relative Intensity
63.49710	0.8
69.03329	1.4
71.01253	17.8
72.99178	1.5
73.02829	2.9
78.95786	0.9
81.03333	2.0
83.01275	2.3
85.02841	4.4
87.00751	5.3
89.02312	14.3
95.01305	1.4
97.02823	2.6
101.02322	12.8
109.02813	1.2
111.00722	0.9
113.02337	7.6
116.92722	1.2
119.03387	3.6
120.40143	0.9
125.02323	8.7
125.09647	2.1
127.11166	1.7
131.03433	1.0
137.02365	1.1
140.40283	0.7
141.01714	0.8
143.03355	2.8
153.09119	1.3
161.04483	4.7
171.10184	100.0
172.10484	3.0
177.02003	0.7
179.05519	4.3
185.11615	0.8
199.05933	1.1
209.11723	8.8
210.12148	1.4
221.06624	1.4
235.08188	6.0
253.09308	1.4
256.26474	0.8
259.08350	1.4
277.21732	56.4
278.21973	4.3
281.24826	4.0
284.67926	0.9
287.07770	2.2
288.20203	0.8
289.18063	1.2
291.19083	1.0
293.21149	1.8
305.08731	2.4
307.19199	1.1
323.10022	1.2
379.12399	14.9
397.13516	42.6
398.13708	1.8
415.14508	7.8
551.23248	2.3
569.24506	3.1
657.34680	1.7
675.36133	1.6
765.52057	1.0
889.48114	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4647
Annotation	Nostophycin
Peak:m/z	Relative Intensity
61.98698	2.7
71.01265	14.5
72.99190	1.8
73.02799	2.3
75.00746	1.8
76.35688	1.3
80.62220	1.3
83.04904	2.3
85.02821	4.1
87.00780	3.4
88.98677	2.1
89.02329	11.7
96.95904	15.0
97.02813	2.0
97.06478	7.4
99.00752	1.8
101.02319	8.5
113.02333	4.7
116.92717	4.3
119.03409	2.0
125.02333	9.4
132.82224	1.5
133.04979	2.9
136.33934	1.4
151.11185	12.1
155.06789	1.5
169.12268	42.8
171.10147	1.6
195.13829	6.2
197.11755	1.6
207.10138	2.0
209.11745	5.3
211.13327	1.6
213.11201	7.5
223.13336	3.3
227.12869	1.6
235.08292	2.3
253.09390	1.7
275.20190	3.2
293.21237	25.5
294.21542	2.7
294.25153	1.5
309.20636	2.1
327.21909	1.5
382.73169	1.4
397.13504	4.1
415.14771	2.5
534.32373	1.9
611.25525	2.2
647.25909	1.7
819.03418	1.8
887.46527	100.0
888.47040	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.5215
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96272	0.3
70.22531	0.8
78.95775	55.3
89.02266	0.2
96.96839	6.4
101.02332	0.3
116.01670	0.2
118.76093	0.2
125.02401	0.3
140.01083	1.3
150.97905	2.2
152.99487	100.0
153.99831	0.8
171.00566	4.1
196.03705	2.6
209.11703	1.2
210.12048	0.3
214.04799	0.7
255.23265	27.2
256.23608	1.4
277.21725	0.5
278.22021	0.2
279.23227	0.7
283.10791	0.3
283.39517	0.2
290.43210	0.2
295.22595	0.2
306.01581	0.2
433.23578	35.2
434.23895	2.3
452.27802	22.7
453.28125	1.3
725.77820	0.2
812.50482	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4848
Annotation	Microtoenin A
Peak:m/z	Relative Intensity
61.98703	24.6
69.41368	9.4
71.01251	24.9
72.99179	2.4
73.02822	2.9
81.03365	1.3
83.01259	2.9
85.02818	5.0
87.00742	4.9
89.02322	17.3
94.20677	1.1
95.01266	2.8
97.02830	3.7
98.58538	1.1
101.02325	15.0
108.74082	1.1
111.00775	1.4
113.02325	9.0
119.03389	3.3
125.02351	5.0
135.60934	1.2
139.80792	1.0
141.01837	1.0
143.61337	1.2
161.04457	3.3
165.12804	5.1
166.13167	1.0
179.05540	2.0
183.13834	54.9
184.14172	1.7
209.11731	3.8
221.06609	1.3
227.12828	4.6
235.08235	1.9
277.21713	60.4
278.22009	6.0
379.11865	1.3
397.13388	12.7
415.14474	3.8
505.08942	1.2
600.33856	1.1
607.26563	1.7
691.69446	1.2
885.48511	100.0
886.48743	24.0
886.89575	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.486
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	11.5
62.98439	0.7
69.03329	1.8
69.89423	1.9
69.89838	1.4
71.01256	26.2
72.99186	2.5
73.02814	4.2
73.86779	0.5
75.00744	0.9
78.80737	0.6
78.95774	1.2
79.95637	1.6
80.96395	5.7
81.03319	1.2
83.01260	3.0
83.04895	0.8
85.02821	6.2
87.00741	4.3
89.02320	18.2
94.97964	0.9
95.01276	1.7
97.02815	3.0
97.06461	0.7
99.00761	2.1
101.02323	18.3
109.02809	0.8
111.08022	0.7
112.01521	0.6
113.02351	7.9
119.03398	4.1
122.97434	0.7
125.02341	7.2
131.03398	0.9
137.02328	0.6
137.92317	0.6
139.03825	0.9
139.22531	0.6
141.01776	1.0
143.03400	2.1
148.60022	0.5
152.99593	0.8
158.00301	0.6
159.94029	0.5
161.04465	3.7
164.98521	0.7
165.12762	7.6
179.05513	2.6
183.13835	83.5
184.14169	2.9
189.09117	0.6
199.13324	0.9
202.07843	0.6
207.10202	1.2
209.11769	8.3
210.12117	1.0
221.06693	3.9
225.00702	1.2
225.11343	0.8
227.12840	8.5
227.60631	0.8
235.08189	3.3
277.21725	41.0
278.22144	3.1
293.21017	0.8
305.08743	0.8
379.12381	1.9
397.13486	17.3
398.13828	1.4
415.14520	4.8
607.26056	2.5
625.27191	4.3
885.48474	100.0
886.31171	1.2
886.48767	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	885.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
64.51846	0.3
68.52682	0.3
68.99730	0.3
69.03332	1.3
71.01254	14.8
71.54866	0.6
72.71700	0.3
72.99178	1.2
73.02819	3.1
75.00780	0.3
80.02542	1.2
81.03337	1.5
82.36348	0.3
83.01250	1.7
83.04887	4.9
84.02039	0.8
85.02824	4.0
85.63935	0.3
87.00755	3.2
89.02315	13.1
91.03931	0.5
95.01246	1.7
95.04895	0.5
97.02814	2.2
99.00760	1.1
101.02329	11.3
109.05147	0.3
109.06477	0.7
111.04496	0.3
113.02335	7.1
115.03903	0.5
119.03393	3.4
124.01534	0.4
125.02328	5.5
125.05901	0.4
126.45502	0.4
131.03387	0.7
135.08035	0.7
139.03891	0.5
143.03421	2.6
144.22969	0.3
145.42905	0.3
153.74245	0.3
161.04472	2.8
161.48857	0.4
163.11198	3.4
163.12407	0.5
165.12782	2.5
167.03490	0.3
179.05527	3.7
181.12276	0.6
191.10690	1.2
207.10307	0.4
209.11772	100.0
210.12091	5.4
217.07147	0.7
221.06671	0.8
227.12828	11.4
228.13312	0.7
235.08188	5.5
245.00362	0.4
251.12769	0.7
252.45183	0.4
253.09181	0.9
263.07712	0.5
277.21713	48.8
278.22055	3.4
287.07700	1.4
300.09268	0.4
305.08743	1.5
321.48849	0.4
323.09897	0.8
377.93585	0.4
379.12424	4.3
380.13022	0.6
385.07782	0.4
397.13504	32.0
398.13855	2.1
415.14523	8.0
416.14713	0.6
529.87592	0.4
607.26447	0.5
850.68225	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	1.3
70.32894	1.1
71.01255	17.6
72.99179	1.3
73.02826	2.9
75.01499	0.3
78.42679	0.3
80.02550	1.4
80.96360	0.5
81.03344	2.4
83.01255	2.3
83.04897	5.4
84.02037	1.0
85.02827	4.4
87.00758	4.9
89.02322	15.4
95.01249	1.1
95.04931	0.5
97.02826	2.9
98.19915	0.3
99.00752	1.0
101.02329	13.1
102.02709	0.4
109.06493	0.4
111.04370	0.6
113.02338	6.9
113.39850	0.3
119.03407	4.1
125.02340	6.6
125.05975	0.5
131.03450	0.8
135.08034	0.7
141.01871	0.3
143.03403	3.1
149.04427	0.7
161.04468	3.6
163.11227	4.1
165.12802	2.3
167.03380	0.6
169.64822	0.4
179.05528	4.4
181.12238	0.9
185.04410	0.3
191.10756	1.0
199.06107	0.4
209.11780	100.0
210.12131	5.0
217.07137	0.8
221.06628	1.6
227.12856	14.1
228.13199	0.7
235.08202	5.0
236.08685	0.4
253.09212	1.1
259.08228	0.5
263.07739	0.6
277.21735	54.2
278.22076	5.0
287.07700	1.5
305.08728	2.1
323.09875	1.0
379.12427	5.5
380.12726	0.7
397.13513	40.7
398.13806	3.0
415.14578	9.5
416.14948	0.9
544.15289	0.3
607.26166	0.9
640.19690	0.4
675.35791	0.5
695.70978	0.4
754.22638	0.4
885.47546	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.6102
Annotation	Unknow
Peak:m/z	Relative Intensity
61.40280	0.4
68.99736	0.5
69.03326	1.0
70.01952	1.2
70.02371	1.4
71.01257	32.0
72.99184	3.4
73.02826	1.6
75.00735	0.5
80.02563	0.7
81.03350	0.8
83.01241	2.5
83.04910	3.0
84.02065	0.8
85.02829	6.1
85.06445	0.8
87.00755	3.1
88.03873	1.0
89.02322	31.6
95.01266	2.5
95.04890	0.8
96.95910	2.6
97.02835	1.3
97.06490	0.4
99.00791	0.9
101.02327	19.0
108.08075	1.5
109.02840	0.8
112.87039	0.4
113.02335	12.0
119.03394	13.1
121.10109	0.6
125.02340	8.7
126.09187	3.1
131.03389	1.4
138.09138	1.0
143.03403	3.5
146.14774	0.5
149.04483	0.9
151.03944	0.5
156.10120	0.6
161.04506	3.6
163.11194	1.6
165.12799	0.7
166.08635	1.0
169.01332	4.0
171.10187	1.1
171.86203	0.5
179.05537	8.8
184.09682	0.7
191.10791	0.7
207.10152	1.0
209.11786	39.3
211.13358	3.9
217.11754	0.4
221.06569	0.6
225.11263	1.8
225.22188	5.3
226.11728	0.7
227.12808	4.5
235.08189	2.0
249.86971	0.5
253.09386	0.8
253.21657	1.5
270.24448	0.8
271.22833	3.0
275.20068	2.8
277.21735	19.1
278.22000	0.6
283.33582	0.6
287.07700	1.1
289.18289	0.7
293.21246	5.4
296.26013	2.2
312.25473	1.1
324.25427	0.6
341.23346	1.3
379.12283	2.7
380.31519	1.3
392.31668	0.7
397.13489	15.3
410.32773	17.0
411.33157	2.0
415.14529	4.2
428.33798	7.9
429.34528	0.8
590.39111	100.0
591.39471	14.2
773.10516	0.5
884.47705	1.4
885.49078	0.7
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
62.31726	0.2
65.44994	0.2
69.03342	0.7
71.01255	14.0
72.99178	0.8
73.02824	1.9
80.02558	1.1
81.03355	2.1
83.01264	1.5
83.04897	5.0
84.02054	0.7
85.02825	2.7
87.00745	3.5
87.04433	0.3
89.02319	11.3
94.74236	0.2
95.01258	1.2
95.04895	0.7
96.88404	0.3
97.02833	2.1
97.06431	0.3
99.00754	0.9
101.02327	9.5
101.03001	0.5
108.81001	0.2
109.06471	0.3
111.08072	0.4
113.01524	0.3
113.02325	6.3
119.03381	3.5
125.02357	5.1
125.05970	0.6
131.03366	0.7
134.38382	0.3
135.08044	0.7
139.03917	0.5
143.03397	2.1
149.04488	0.6
161.04475	2.9
163.11194	4.1
165.12775	2.3
167.03438	0.4
169.04906	0.3
179.05507	3.5
181.12320	0.5
191.10654	0.8
199.06110	0.6
205.12341	0.3
209.11772	100.0
210.10251	0.5
210.12099	4.6
217.07068	0.6
221.06593	2.0
227.12836	12.1
228.13297	0.6
233.11954	0.3
235.08185	4.5
245.06705	0.5
251.12866	0.8
253.09305	1.1
259.08066	0.3
263.07745	0.4
277.21716	41.1
278.22101	3.3
287.07727	1.6
291.23358	0.5
294.31229	0.3
305.08798	1.8
323.09818	1.0
361.11691	0.4
379.12457	5.5
397.13504	33.6
398.13779	2.5
415.14597	8.5
416.14725	0.6
497.20486	0.3
607.26147	0.8
622.40363	0.3
675.37531	0.3
914.92322	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03327	1.2
69.81489	0.7
70.11393	0.8
71.01255	2.6
71.58546	1.0
71.58969	0.9
81.03314	1.2
83.01263	1.6
85.02795	1.0
89.02322	2.8
95.01260	1.3
97.02831	2.3
101.02355	2.0
107.01253	1.6
109.02861	6.7
110.85211	0.8
113.02421	1.0
116.18116	0.7
119.03374	1.4
121.02869	1.8
123.00756	1.4
123.04406	2.8
125.02344	57.5
126.02698	1.1
137.02347	6.4
139.00291	1.5
139.03928	1.3
140.01115	1.1
145.02832	2.6
149.02342	2.2
151.03900	4.7
159.04471	2.0
161.05954	1.3
164.01143	1.4
165.01895	2.1
166.99794	1.4
168.00542	1.3
169.01347	100.0
169.22606	0.8
170.01707	2.6
179.03442	2.2
185.06007	1.2
187.03979	1.8
188.04739	1.2
193.01387	2.6
201.05463	0.8
203.07022	3.9
205.05034	3.0
221.08083	1.0
227.06996	1.1
245.08133	9.4
253.05049	1.2
259.06042	1.0
271.06128	6.0
289.07172	44.5
290.07529	2.4
303.05170	2.1
331.04587	2.3
422.70093	0.9
441.08279	54.2
441.17422	14.7
442.08450	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	881.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98708	6.7
63.78993	2.0
70.89857	6.0
71.00887	3.2
71.01250	35.5
72.99168	2.3
73.02816	5.4
75.00771	2.4
78.95765	3.1
81.03315	3.6
83.01243	3.1
83.04894	3.4
85.02825	6.4
87.00748	5.4
89.02321	22.6
95.01279	2.5
95.04889	2.2
97.02803	5.3
101.02332	21.0
113.02328	11.9
119.03380	6.8
125.02328	9.0
125.09647	3.1
127.11159	4.9
142.99799	2.9
143.03442	3.7
161.04433	9.6
163.11189	5.5
165.09088	2.1
165.12668	2.7
171.10185	5.5
179.05521	4.6
182.62202	2.0
192.74391	2.1
193.24902	1.9
197.11786	13.5
199.06261	2.2
201.11261	86.6
202.11574	3.1
209.11766	100.0
210.12158	4.0
211.13373	6.7
223.13190	3.2
227.12901	15.5
235.08197	8.1
253.09320	16.3
255.23293	73.7
256.23584	7.4
275.20306	2.8
277.21707	6.1
287.07687	3.4
291.19614	4.2
293.21210	39.2
294.21405	2.1
305.08734	2.2
309.20697	19.8
379.12537	11.2
397.13553	76.8
398.13922	5.3
408.34805	2.3
415.14651	17.1
541.13214	2.0
653.37567	6.5
654.36823	2.6
795.31006	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	881.5277
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	69.3
71.01247	50.8
71.59138	7.0
72.99178	8.8
73.02826	8.7
77.59728	8.0
78.95779	12.6
85.02848	11.2
87.00737	16.2
87.21632	7.1
89.02325	26.1
91.18313	8.1
99.00784	9.6
101.02325	30.6
103.09716	7.8
105.18431	7.4
112.98689	17.5
113.02333	21.0
115.00261	16.8
125.02344	8.2
142.99762	12.9
171.10252	12.3
174.01627	31.8
175.02399	20.4
197.11801	41.8
201.11285	74.0
209.11794	100.0
210.12166	9.6
211.13319	65.4
225.11162	15.3
227.12825	17.9
229.98036	8.1
235.08234	13.5
253.09213	36.2
255.23294	83.0
263.54190	9.7
277.21780	40.2
293.21240	93.4
294.21506	13.7
309.20676	55.5
379.12354	12.5
394.37869	10.3
397.13657	69.2
447.22614	10.0
502.38998	9.7
532.19019	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	881.4902
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	2.5
69.03321	3.1
69.20052	0.7
71.01256	25.1
72.99168	2.4
73.02822	3.3
75.00760	1.8
81.03351	1.2
83.01283	2.2
83.04877	1.1
85.02833	5.6
86.94139	0.7
87.00752	5.4
89.02317	22.4
93.03334	1.0
95.01258	1.2
95.04896	1.0
97.02834	3.0
99.00784	1.8
101.02328	17.5
113.02334	11.8
115.37283	0.8
119.03403	5.6
121.02863	0.9
125.02358	7.7
125.57558	0.8
131.03479	1.0
139.03815	1.1
141.01740	0.9
143.03438	3.6
161.04408	4.7
167.03387	0.9
167.10684	2.3
179.05542	6.3
179.10747	1.4
179.14326	3.1
195.13867	10.2
205.12279	9.9
221.06584	2.1
223.13356	100.0
224.13683	6.7
229.48306	1.1
235.08197	7.9
253.09251	1.9
263.07660	0.8
265.14417	0.9
277.21722	73.1
278.22021	5.1
287.07648	1.3
293.21262	1.5
305.08859	2.2
323.09637	1.6
379.12384	7.6
397.13510	52.2
398.13657	3.5
415.14542	13.2
416.14761	1.0
500.32260	0.8
603.26605	4.4
621.27740	3.3
675.36121	2.2
823.99133	0.8
881.48853	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	881.5118
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03324	1.5
70.89737	2.8
71.00892	2.0
71.01257	24.8
72.99174	2.4
73.02824	2.5
74.42764	0.9
78.34114	0.9
78.95760	2.2
80.02562	1.4
81.03329	2.4
83.01251	2.9
83.04897	3.5
85.02838	5.3
87.00764	5.8
89.02312	18.3
93.03347	1.0
95.01278	1.3
95.04889	1.0
97.02831	3.5
99.00756	1.2
101.02325	18.7
103.03872	1.0
113.02345	10.7
115.00243	0.9
119.03401	4.4
125.02330	8.8
125.09601	1.9
127.11169	3.7
135.08041	1.3
139.03911	1.1
143.03406	2.8
155.10672	1.2
161.04407	3.6
163.11201	1.7
165.09064	1.2
165.12772	2.5
171.10141	2.3
174.01633	1.0
179.05513	4.0
186.88286	1.1
197.82248	1.0
201.11258	77.9
202.11584	3.7
207.26381	1.0
209.11777	100.0
210.12115	2.9
211.13319	2.9
221.06659	1.5
225.11322	1.5
227.12833	10.3
228.13258	1.0
230.66275	1.0
235.08133	7.0
249.15054	1.0
255.23280	75.6
256.23587	4.3
269.24683	1.6
277.21631	4.4
287.07764	1.4
293.21234	1.1
305.08795	2.8
379.12451	11.2
395.66174	1.0
395.71884	1.1
397.13489	60.6
398.13943	5.2
415.14459	12.2
581.25049	2.4
599.25519	1.2
653.37939	4.9
683.69226	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98696	4.1
68.21545	0.7
69.03320	3.3
71.01253	21.6
72.99187	1.8
73.02831	3.4
74.74525	0.6
75.00750	1.1
78.95775	1.2
80.96397	1.2
81.03346	1.2
83.01257	3.0
85.02832	4.0
87.00760	4.7
89.02321	16.3
93.03320	0.7
94.97973	0.7
95.01265	1.6
97.02826	3.7
99.00774	0.9
101.02315	15.2
101.81027	0.6
104.96600	0.6
106.14204	0.6
109.06455	0.7
113.02334	9.5
119.03397	5.0
120.02396	0.7
125.02336	7.6
141.01750	0.8
143.03403	2.8
149.09612	0.7
161.04440	4.2
167.10637	3.1
169.12242	0.7
171.10239	0.7
179.05495	5.5
179.14340	2.9
195.13837	9.2
205.12265	8.1
217.07085	1.0
221.06557	1.8
223.13344	100.0
224.13666	3.9
226.11084	0.6
229.31902	0.8
235.08145	5.5
253.09258	2.1
255.23280	2.4
263.07666	0.7
265.14496	0.8
277.21710	57.1
278.22037	2.7
287.07721	1.4
291.19440	0.7
293.21198	1.4
305.08786	2.0
323.09827	2.1
379.12488	8.7
397.13498	49.3
398.13763	3.3
415.14581	10.5
576.81616	0.7
603.26636	5.5
621.27673	7.4
622.27673	0.9
675.37146	1.1
728.07019	0.7
739.79889	0.9
881.50024	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	881.1567
Annotation	3-O-Galloyl-ent-epicatechin-(4alpha->8)-ent-epicatechin-3-O-gallate
Peak:m/z	Relative Intensity
69.42693	10.9
83.01265	4.7
95.01311	1.4
97.02874	1.7
97.98588	1.3
98.19832	2.2
109.02842	12.9
121.02824	3.3
123.00752	2.1
123.04423	10.3
124.56183	1.2
125.02335	100.0
126.02654	1.7
131.04861	1.3
133.02856	5.5
135.04405	4.2
137.02318	14.4
139.03902	2.4
145.02853	4.4
146.03580	1.4
147.04521	1.5
149.02318	3.7
151.03918	7.8
155.05026	1.3
159.04420	4.7
161.02351	21.5
161.05989	3.9
162.02861	1.5
163.03888	4.5
164.01071	3.4
165.01848	4.6
167.03410	2.4
169.01331	23.3
175.03906	9.2
177.01852	7.5
179.03387	3.3
185.06015	2.9
187.03972	6.0
193.01344	2.3
198.03331	1.2
199.03955	3.8
201.01784	2.1
201.05490	3.2
202.06261	1.6
203.03473	1.5
203.07011	5.5
205.01393	1.6
205.04997	3.9
211.03990	1.7
213.05550	1.4
214.02499	1.4
217.05037	3.1
219.02887	1.4
225.05402	2.6
227.03438	4.4
229.04977	5.1
229.40959	1.2
231.02887	1.4
241.05202	1.5
243.02960	6.3
243.06665	1.6
245.04500	6.6
245.08055	5.8
247.05965	1.7
253.04979	1.8
255.02945	10.7
256.03778	3.5
257.04526	3.3
267.03146	1.4
269.04568	19.1
270.04953	1.7
271.06143	10.1
273.04141	2.6
279.40601	1.4
281.04514	2.8
285.03976	4.6
287.05536	12.6
288.06308	1.3
289.07220	29.4
289.49182	1.2
290.07510	2.1
299.05612	1.5
303.05023	3.5
339.08755	1.9
389.06689	4.1
395.07751	1.9
407.07724	64.4
408.07855	5.0
419.07742	2.1
425.08490	3.0
433.09204	6.4
439.06818	1.8
441.08249	12.9
449.08704	2.2
451.10199	8.0
471.22000	1.3
541.11487	5.4
559.11603	12.1
560.12372	2.0
577.13641	11.8
578.12799	1.6
603.11603	5.7
711.12634	2.6
729.14520	28.9
730.14917	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	881.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
64.93959	0.9
65.00225	1.0
69.03346	1.6
69.60802	2.5
69.61225	4.0
71.09447	1.1
76.07133	1.0
83.01257	2.9
95.01258	2.3
97.02818	3.0
107.01258	2.2
107.04919	1.1
108.02032	1.1
109.02845	13.9
119.04903	1.5
121.02818	2.5
123.00742	2.6
123.04420	9.1
124.01519	1.2
125.02334	100.0
126.02690	1.6
133.02838	2.9
135.04393	4.1
137.02359	10.8
139.03877	1.2
145.02867	4.8
146.03554	1.2
147.04488	1.3
149.02319	4.1
151.00146	0.9
151.03946	9.1
156.78253	1.0
159.04472	6.4
161.01060	1.7
161.02347	21.5
161.05945	5.0
162.02991	1.2
163.00244	1.8
163.03899	3.4
164.01070	3.4
165.01840	3.4
166.99776	1.2
169.01337	25.0
174.03172	1.6
175.03920	7.3
176.01073	1.1
177.01796	4.9
177.05544	1.0
179.03453	1.5
183.04491	2.3
185.05960	2.6
187.03972	5.3
188.04703	1.3
189.01813	1.7
193.01329	2.9
197.06094	1.5
199.03925	4.1
201.01810	1.7
201.05492	4.8
203.03392	1.1
203.07037	3.5
205.04968	4.4
209.06035	1.0
211.03943	1.8
213.05525	1.9
215.03391	1.0
217.04912	2.2
219.02977	1.0
224.04401	1.2
225.05524	4.2
226.02724	1.1
227.03453	4.0
227.07074	1.8
228.04208	1.7
229.05049	4.4
230.05794	1.0
230.08560	1.1
231.02846	1.6
237.05429	1.2
241.04945	3.2
243.02943	7.2
243.06630	1.9
245.04610	6.9
245.08162	5.5
253.04945	2.0
255.02963	8.3
256.03656	4.0
257.04486	2.8
262.06503	1.0
267.02908	1.3
269.04553	26.3
270.05093	2.2
271.06119	5.9
273.04007	3.6
281.04556	4.6
283.06107	1.6
284.03030	1.1
285.04037	3.5
287.05615	12.6
289.07196	26.1
290.07697	1.1
293.04465	1.7
297.03885	3.6
299.05438	2.4
303.05115	3.8
309.07657	1.8
313.03564	2.7
321.07407	1.5
339.08594	2.1
363.08829	1.5
381.09744	1.9
389.06497	3.7
395.07547	2.0
407.07706	65.1
408.07877	5.2
419.07632	6.7
425.08780	3.3
431.07578	1.5
433.09305	6.2
437.09061	1.3
441.08188	8.9
449.08972	2.9
451.10498	7.3
515.13141	1.1
541.11273	10.7
542.11401	1.6
559.12897	19.8
560.12561	1.4
577.13165	7.6
585.10754	1.8
603.11285	4.1
711.13245	6.8
729.14642	21.8
730.14923	2.8
758.31042	1.1
881.15210	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	881.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01263	4.1
93.03307	1.8
95.09370	1.2
97.02843	1.6
104.31335	1.3
109.02841	13.9
121.02828	2.2
123.00731	1.6
123.04422	9.2
125.02333	100.0
126.02633	1.7
133.02832	4.0
135.04468	1.6
137.01378	1.6
137.02338	16.6
139.03926	3.1
145.02867	4.2
149.02315	4.9
151.03918	12.0
159.04364	6.0
161.02345	26.3
161.05948	5.4
162.02954	1.9
163.03909	3.1
164.01071	3.4
165.01794	4.3
166.99812	1.3
167.03453	1.7
169.01338	20.8
175.03949	7.5
177.01846	8.8
179.03375	2.4
185.05965	3.3
187.03966	6.0
193.01332	2.3
199.04018	1.9
201.05455	2.5
203.03458	1.8
203.07091	5.0
205.01335	1.9
205.04996	3.9
215.03357	2.1
217.04948	3.8
219.02950	1.6
225.05522	1.8
227.03513	2.9
227.07022	2.1
229.04950	3.0
242.02164	1.5
243.02901	9.3
243.06499	1.6
245.04486	7.1
245.08157	9.3
246.08585	1.4
253.05055	2.5
255.02968	10.1
256.03748	4.4
257.04346	1.7
269.04474	4.9
271.06070	8.8
281.04422	2.6
282.05157	1.3
283.02499	1.8
285.03979	4.1
287.05612	6.7
289.07193	44.6
290.07419	2.2
297.03851	1.6
299.05737	1.7
303.05130	3.8
339.08585	2.5
381.09531	1.3
389.06650	5.1
407.07715	63.9
408.08142	7.0
425.08612	5.1
433.09329	4.2
439.06528	2.2
441.08228	18.4
442.08673	2.3
451.10419	11.7
452.10419	1.6
541.11407	1.7
559.09375	11.1
577.11194	12.0
578.12128	1.8
603.11255	4.9
729.14520	37.5
730.15002	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.512
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98684	1.8
62.84503	1.6
71.01251	22.2
71.57957	2.1
73.02815	1.9
73.17180	1.6
76.71333	1.6
85.02814	4.4
87.00709	2.6
89.02328	9.7
97.02822	3.3
97.06460	4.9
101.02341	9.3
109.06458	2.6
113.02309	4.9
122.13383	1.7
123.00749	1.8
125.02346	2.4
125.09608	6.6
128.67967	1.5
132.77737	1.7
133.90977	1.7
161.04472	5.8
163.11185	6.3
171.10211	13.7
178.19142	1.7
185.11742	4.5
191.10612	2.1
191.14334	8.1
195.13812	7.7
201.11295	5.2
207.10172	8.1
209.11771	16.3
210.12143	2.8
223.13338	5.6
225.11266	13.1
235.08168	4.3
237.11226	4.8
243.12251	2.2
245.19116	12.9
253.09265	23.3
255.23232	17.0
263.20135	5.5
275.20062	6.1
289.14798	2.2
289.18106	79.4
290.18430	6.9
293.21228	100.0
294.21451	7.8
307.19168	73.4
308.19568	3.7
361.97461	1.8
379.12271	3.6
388.16235	1.8
397.13678	11.6
415.14749	2.7
430.06827	2.4
525.27002	1.8
543.28168	3.8
720.76520	1.8
861.50189	2.1
879.49219	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	879.5125
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03342	2.7
69.40954	5.1
69.41363	19.1
71.01254	23.9
73.02837	7.5
78.95817	3.1
83.01273	3.6
85.02838	5.7
87.00783	4.3
89.02342	11.8
95.01258	3.1
97.02843	6.4
97.06444	3.5
98.20570	2.3
99.00753	6.0
101.02337	12.9
109.06490	4.0
113.02346	7.1
119.03380	6.1
125.02326	9.8
125.09673	4.8
137.09648	3.9
161.04463	6.7
163.11226	6.8
171.10213	28.2
179.05670	3.3
181.12254	6.3
185.11818	3.5
191.14461	3.3
195.13786	6.1
197.11742	7.5
201.11285	13.8
207.10228	16.6
209.11804	12.0
215.12962	2.4
215.18082	3.0
223.13336	4.5
225.11243	38.6
235.08287	8.4
243.12354	4.9
245.19131	8.3
253.09276	23.8
255.23257	44.2
275.20139	5.0
277.45560	2.7
284.02957	3.3
289.18082	59.6
289.21072	4.9
291.19769	19.9
293.21237	100.0
294.21649	7.6
307.19177	44.2
309.20676	10.1
379.12674	5.0
397.13455	30.3
398.13452	3.0
415.14676	8.0
430.51981	3.1
465.13855	2.9
605.24231	5.0
623.25812	3.2
799.28589	3.2
861.48694	16.8
862.48108	4.4
879.49390	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	879.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
64.72282	2.5
69.61626	16.5
83.01267	6.4
97.02843	3.8
98.19830	3.7
100.69083	3.3
109.02864	19.5
121.02852	9.2
123.04438	3.7
125.02346	100.0
133.02855	5.7
137.02353	47.9
139.03934	16.3
147.04422	7.6
149.02332	17.5
151.03952	7.4
161.02353	30.0
163.00253	17.7
163.03915	4.4
164.01056	10.4
165.01859	17.1
167.03404	11.9
169.01288	3.4
173.05945	3.1
175.00330	3.1
175.03952	14.6
175.77997	2.7
177.01897	23.3
179.03438	10.6
187.03833	3.9
191.03404	4.1
199.03906	6.3
201.01840	4.3
203.03279	4.3
205.01361	3.6
213.05585	4.0
215.03432	4.5
217.04910	6.5
219.06598	9.2
221.04416	6.0
241.04999	5.5
243.02943	12.5
244.03876	3.2
245.04533	7.8
255.02977	12.2
256.03503	3.3
257.04526	6.2
283.02448	7.5
285.04053	35.1
286.04303	3.7
287.05676	8.3
289.07196	14.9
297.04053	5.9
299.05579	11.6
301.03598	7.0
305.03360	5.6
305.06689	79.2
306.06979	3.2
307.06241	5.7
386.42752	2.8
404.17178	3.3
404.22504	3.0
411.07175	69.2
412.07440	6.8
423.07291	13.6
447.07886	3.1
467.09848	27.2
485.30301	2.8
541.07343	5.6
559.08856	11.0
573.10516	10.7
574.10760	3.5
591.11267	4.0
709.11908	22.9
727.12750	7.9
879.17743	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	879.496
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	2.4
71.01253	24.9
71.04905	2.2
72.99205	1.7
73.02830	3.8
78.95788	1.7
81.03300	1.3
83.01244	2.1
83.04893	1.3
85.02830	7.0
87.00742	3.9
89.02317	15.8
95.01252	2.6
95.04898	1.4
96.95887	1.0
97.02833	8.2
97.06456	1.6
98.19719	1.8
99.00758	13.7
101.02324	16.4
105.51849	1.0
109.06480	2.5
111.08041	2.3
113.02333	6.3
119.03390	3.5
119.99400	1.3
125.02332	5.9
125.09602	5.5
131.15358	1.1
135.08104	1.2
141.01843	1.0
142.02672	1.6
143.03386	2.0
161.04442	2.4
163.11201	8.1
171.10167	15.8
172.63170	1.0
179.05531	2.3
179.10565	1.1
181.12260	12.9
197.11745	5.3
199.13341	10.8
201.11244	4.6
207.10205	28.5
208.10493	1.7
209.11775	2.8
215.44441	1.0
221.06572	3.1
225.11288	45.6
226.11472	2.0
235.08200	4.8
243.12303	10.2
243.31392	1.2
253.09280	2.7
255.23260	71.9
256.23624	4.6
269.24841	2.3
289.18295	1.9
291.19669	13.8
293.21085	1.2
305.08713	1.2
307.18997	1.6
309.20605	7.0
375.36969	1.0
379.12433	2.2
391.97714	0.9
397.13538	18.4
398.13916	1.4
415.14752	2.9
527.28583	1.5
605.24939	2.3
623.25385	3.3
653.38330	1.3
713.42310	1.2
714.60211	1.2
861.48529	13.2
862.48438	3.1
879.49646	100.0
880.49756	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	879.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
71.59708	2.2
83.01260	3.7
84.16457	1.9
85.53331	1.6
93.03339	1.9
95.01263	2.7
95.04922	1.8
97.02826	2.2
109.02831	22.2
117.03377	1.8
119.01283	3.0
121.02802	4.7
123.00771	3.6
123.04401	13.9
124.01602	2.7
125.02341	100.0
126.02673	2.4
133.02847	5.7
135.00764	3.8
135.04404	3.3
137.02350	34.2
139.03925	3.6
145.02870	2.4
147.00809	13.8
147.04416	2.1
148.01596	1.8
149.02316	11.8
149.42697	1.7
151.03928	11.3
159.04404	3.7
161.02359	29.6
161.05942	4.5
162.03137	3.0
163.00282	32.5
163.03894	6.9
164.01045	10.3
165.01848	18.7
167.03421	4.2
168.03871	1.8
169.01341	3.1
173.02292	2.6
173.06102	2.2
175.00305	40.6
175.03918	11.2
176.00983	8.7
177.01849	31.5
179.03421	5.6
185.05930	2.5
187.03943	13.1
188.04573	2.2
189.01814	5.2
189.05347	2.1
190.02608	4.5
191.03387	19.6
199.03944	4.6
201.01903	3.9
201.05423	4.6
202.99580	1.8
203.03398	6.3
203.07054	5.7
205.01378	3.5
205.04950	6.9
211.03908	4.5
213.05568	3.3
214.02609	2.3
215.03470	10.5
216.03983	2.3
217.01335	4.4
217.04977	4.7
218.02184	1.8
225.05536	3.6
227.03325	8.8
228.04102	4.1
229.05118	10.8
231.02933	3.6
233.04445	7.6
237.05428	2.3
239.03423	3.8
243.02977	13.9
245.04503	10.5
245.08185	7.8
253.04980	3.2
255.02962	25.6
256.03604	8.1
257.04471	14.1
259.02502	3.6
259.60818	2.0
261.03864	2.6
265.05023	2.3
268.03552	2.6
269.04590	6.5
271.06384	2.3
273.04013	12.5
281.04578	8.7
282.01703	2.1
283.02484	5.3
285.04163	11.0
287.05591	8.0
289.07144	29.1
290.07568	3.3
295.02499	3.5
297.04099	2.7
299.05417	4.7
300.02686	7.9
301.03528	78.3
302.03955	5.4
309.03958	2.4
313.03482	9.7
323.05661	4.6
327.05121	7.9
375.05154	2.2
407.07712	44.5
408.08298	2.9
425.08804	3.5
427.06458	2.2
439.06662	37.9
440.06967	3.3
447.07214	7.9
449.08627	3.7
451.10458	4.5
452.07492	7.3
453.08252	12.0
465.08237	35.2
466.08667	4.4
506.56036	2.1
525.08459	4.6
555.09296	11.6
557.07483	3.6
565.07599	2.5
570.07581	2.8
571.08997	2.1
573.10370	5.4
575.08258	48.0
576.08679	6.7
583.08972	16.1
584.07983	2.1
591.11462	74.6
592.11841	10.2
598.29297	2.7
601.09546	3.6
627.11670	4.5
709.11920	31.4
710.12256	4.6
727.12817	13.6
753.14728	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	879.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
61.41477	4.5
83.01278	8.7
85.18111	3.5
93.03327	6.2
93.19440	3.3
94.88406	3.5
97.02792	3.9
109.02832	31.5
119.04906	5.0
121.02832	13.9
123.04402	16.0
125.02339	80.8
126.02679	4.2
133.02885	6.4
137.02322	42.2
139.03934	6.4
149.02356	35.9
151.03929	13.0
159.04393	7.5
161.02364	11.3
161.05998	5.4
163.00262	18.3
164.00964	6.2
165.01857	6.0
169.01389	7.0
175.00330	5.2
175.03922	15.3
177.01866	100.0
187.03934	8.3
188.04872	4.1
189.01901	3.9
195.90604	3.9
199.03992	4.2
201.01917	4.4
201.05443	4.8
203.07054	10.1
205.05019	10.5
213.05458	6.5
214.02563	4.7
215.03415	10.8
217.04965	5.5
227.03423	4.8
229.04948	5.6
243.02995	17.0
245.08105	12.9
245.49065	3.7
255.02936	16.2
256.03537	9.0
257.04562	10.1
261.03796	4.6
267.02975	4.2
272.03137	4.4
273.03815	4.8
281.04672	6.1
283.02560	5.3
285.04175	32.9
287.05579	4.0
288.02625	3.7
289.07184	78.1
290.07660	5.5
295.09656	4.2
299.05600	4.3
301.03506	8.4
407.07831	24.4
411.07211	97.8
412.07516	8.9
425.08704	7.8
427.57025	4.3
467.09799	12.9
525.08258	4.6
559.08746	25.1
575.10400	4.4
577.45612	4.1
693.12366	20.1
711.13696	15.4
727.11530	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	877.5171
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	1.4
71.01254	17.9
71.58707	1.3
72.99190	1.6
73.02833	2.6
81.03342	1.7
83.01302	1.2
83.04893	4.7
84.02061	1.2
85.02837	3.8
87.00760	4.1
89.02312	16.3
89.02820	1.1
97.02840	3.3
99.00756	1.9
101.02326	13.3
113.02326	8.6
119.03407	3.1
119.28558	0.9
125.02322	5.9
143.03421	2.5
161.04501	4.3
163.11208	4.1
165.12762	2.3
179.05554	3.0
191.10719	1.5
209.11774	100.0
210.12187	2.8
221.06602	1.6
227.12857	14.0
235.08163	6.2
269.24857	54.1
270.25195	3.9
276.16788	1.1
287.07834	1.9
305.08899	2.8
322.59286	1.1
323.09915	1.7
379.12332	6.3
397.13535	36.2
398.13885	1.9
415.14618	9.6
438.63461	1.0
468.08206	1.2
667.38452	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52752	29.1
74.67604	4.1
83.01266	12.2
86.29990	3.3
87.01105	3.7
90.88630	3.7
93.03356	4.3
93.24401	3.3
97.02821	8.0
98.19791	7.1
109.02827	41.4
121.02854	7.5
123.00725	4.7
123.04412	25.5
125.02336	100.0
133.02841	11.0
135.04440	5.3
137.02327	56.6
139.03926	6.2
139.49083	4.1
147.00771	15.6
147.04451	4.0
149.02347	22.7
151.03929	15.9
159.04424	5.9
161.02356	46.1
161.06046	5.2
162.03075	4.4
163.00259	43.2
164.01047	8.6
165.01819	9.1
167.03409	6.0
175.00270	32.0
175.03882	17.9
176.00957	5.4
177.01868	31.5
179.03435	8.3
187.03957	13.8
188.04767	5.0
191.03426	21.6
199.03989	9.2
201.01833	4.6
203.03487	5.5
203.07054	14.0
205.01308	4.4
205.04974	11.0
215.03366	12.0
217.01436	8.0
217.04987	6.7
219.02893	5.7
227.03438	6.1
229.04945	9.1
231.02901	4.2
243.02930	18.8
245.04442	8.7
245.08197	18.2
255.02890	22.2
256.03693	7.1
257.04425	13.3
261.04022	7.7
273.03922	6.4
283.02499	11.5
285.04050	10.0
287.02151	8.1
287.05594	21.2
288.02698	6.5
289.03970	8.0
289.07190	92.7
290.07614	4.2
299.02328	7.4
299.05630	33.4
301.03482	82.9
302.03952	9.5
341.06824	4.8
407.07684	30.8
408.08524	5.6
409.05539	5.8
425.08966	9.4
427.06662	95.9
428.07004	6.8
450.05661	5.8
451.10703	33.8
463.06750	13.1
547.08740	5.5
557.07111	5.4
571.08435	5.3
575.08295	15.2
577.13617	5.9
582.46027	4.9
583.08948	7.1
589.09656	16.8
590.09973	3.8
709.11694	8.4
727.12933	18.3
773.51495	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	877.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
62.10654	1.0
65.80440	1.0
69.57223	6.1
71.01254	18.6
72.99193	1.4
73.02815	2.1
81.03322	2.3
83.01250	1.7
83.04903	4.9
84.02020	1.2
85.02816	4.1
87.00745	4.6
89.02317	14.3
89.23978	1.0
89.70482	1.1
90.63441	1.0
97.02839	3.0
98.19791	1.7
101.02322	10.6
103.10500	1.0
113.02321	6.1
119.03412	5.2
125.02327	5.8
143.03409	2.1
161.04457	3.6
163.11189	4.1
165.12758	3.7
171.20551	1.1
179.05482	3.4
181.12164	1.0
209.11771	100.0
210.12086	2.5
215.58502	1.0
227.12813	13.7
235.08170	4.0
269.24844	52.8
270.25232	1.9
277.21774	10.8
287.07556	1.6
291.19543	1.3
305.08694	1.7
323.09750	1.8
379.12335	7.5
397.13492	36.5
398.13736	1.9
415.14606	8.4
577.43518	1.1
653.15771	1.1
734.97180	1.2
765.68561	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00163	0.8
66.12386	0.6
71.01238	1.2
71.57687	0.7
85.02826	0.8
101.02309	1.3
107.01246	2.0
108.02032	0.7
109.02873	0.9
112.26569	0.7
121.02850	1.4
125.02339	3.1
135.02890	1.1
151.00275	7.8
163.00270	1.7
165.09129	3.8
169.01375	2.9
178.99806	4.0
187.62944	0.7
211.03900	0.7
215.03447	0.8
226.02699	0.7
227.03471	1.6
243.02948	6.2
245.04543	1.0
254.02103	1.1
255.02962	15.2
256.03375	1.0
271.02463	34.4
272.02966	2.5
283.02512	0.8
289.06995	1.0
299.01999	0.7
300.02740	76.3
301.03473	42.4
302.03900	2.5
309.13437	7.8
310.13666	0.8
327.14520	4.3
369.15518	6.1
370.15988	0.9
463.08832	100.0
464.09177	7.8
640.94281	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	4.7
71.01254	20.3
71.07608	3.0
72.99174	1.3
73.02826	2.3
74.61839	1.4
83.01262	2.4
83.04918	1.7
85.02824	5.6
87.00761	3.1
89.02320	15.6
95.01270	2.0
97.02836	2.1
101.02319	13.0
109.02837	1.4
113.02329	5.4
119.03406	3.6
121.02863	3.2
123.08062	1.5
125.02325	3.5
125.09612	1.7
143.03410	2.2
153.12720	1.6
161.04449	2.0
161.09596	2.7
165.12794	1.6
179.05458	1.6
179.10701	5.7
180.98718	1.3
197.11784	35.5
198.12148	1.3
201.11270	2.6
209.11781	27.3
210.12123	2.4
221.06612	2.4
227.12743	3.1
235.08136	3.0
241.10818	4.1
255.23299	44.8
256.23688	3.5
269.24863	15.0
271.27567	1.3
277.21799	1.6
291.19550	1.7
379.12283	2.6
397.13556	15.3
398.14221	1.3
415.14648	4.3
564.38226	1.3
877.48065	100.0
878.48657	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04472	1.0
78.14098	0.8
81.17346	0.9
85.02818	2.6
107.01256	2.6
109.02829	1.2
113.02345	1.5
121.02913	1.1
124.01627	1.3
125.02357	9.7
135.00775	1.7
149.99460	1.7
151.00233	2.0
159.04401	1.3
163.00291	2.8
168.00571	3.4
169.01372	6.7
181.04973	3.4
185.05975	1.4
187.03937	2.1
211.03931	2.1
213.05702	1.2
227.03465	19.5
229.05000	6.2
230.73085	1.9
239.03427	1.2
240.04135	1.2
255.02977	40.8
256.03568	4.7
257.04495	4.2
283.99985	1.4
284.03259	69.0
285.04019	72.4
286.04330	3.5
301.03406	2.0
447.09253	1.2
489.10385	100.0
490.10449	10.3
557.48956	1.1
598.28302	1.1
682.38696	1.1
877.28821	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
67.10204	1.6
69.03313	1.7
69.45387	12.4
71.01241	11.0
75.00748	3.4
83.01244	1.8
85.02809	10.1
87.00756	1.9
89.02310	4.4
90.46259	1.4
93.03310	2.9
95.01257	5.0
97.02839	2.1
99.00755	4.0
103.00234	2.9
107.01264	2.0
107.59113	1.4
108.02065	3.4
110.77461	1.5
113.02330	18.9
123.00754	12.9
124.01562	31.3
125.02342	32.3
137.02324	3.4
149.99492	44.4
151.00223	6.6
152.01031	1.9
159.04445	1.8
161.02376	1.6
163.00247	2.1
165.01831	1.9
167.03386	5.3
168.00555	73.9
169.01350	15.7
171.04472	2.0
175.02422	6.6
184.05028	1.4
185.06013	2.4
187.03973	4.2
199.04060	1.7
205.12355	1.8
211.03833	2.4
213.05353	2.5
224.51331	1.5
227.03488	2.5
229.05019	8.6
257.04550	5.5
285.04041	100.0
286.04364	8.2
301.03555	2.5
303.85873	1.5
331.06708	4.9
388.98279	1.7
459.11432	1.7
461.07211	37.0
462.07172	3.3
875.28357	67.5
876.28571	12.2
884.52826	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	875.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
66.54963	1.5
69.03315	5.5
71.01257	19.7
71.15012	3.1
71.15388	3.1
72.99176	4.0
73.02822	3.7
75.50789	1.5
78.31815	1.5
82.95708	1.6
85.02813	6.3
87.00776	8.8
88.98717	2.6
89.02330	17.0
95.01270	2.9
95.04935	2.2
96.95879	6.7
97.02875	2.7
101.02330	14.4
111.00813	1.5
113.02309	7.2
113.79145	1.7
116.92744	5.1
117.92764	2.0
119.03393	3.8
121.02884	1.6
125.02353	12.6
137.02290	1.6
143.03397	1.9
152.31335	1.8
161.04399	2.7
167.10641	3.5
179.05496	6.6
179.14426	2.8
183.13794	8.4
195.13852	9.4
201.11195	2.9
205.12296	7.2
209.11807	1.7
211.13347	100.0
212.13617	4.7
221.06546	2.0
223.13362	87.5
224.13754	4.5
235.08160	5.2
255.32167	1.7
293.21222	2.6
305.08325	2.4
323.09982	2.6
379.12402	5.9
397.13538	40.4
397.18674	3.7
398.13980	3.5
415.14578	9.8
591.26758	5.6
603.26477	5.4
609.27515	8.9
621.27649	11.7
797.39709	3.8
815.40375	4.3
888.07916	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	875.493
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98693	7.9
62.97665	4.4
66.53569	4.0
71.01243	8.4
71.14483	10.1
74.86935	4.1
88.56572	4.2
88.98697	29.0
89.02299	6.0
96.95872	9.7
116.92739	18.4
125.02343	38.7
129.64674	5.4
152.82840	5.0
163.00356	5.2
169.01353	22.6
171.10178	14.5
211.13367	6.5
229.14305	7.3
235.08128	9.9
253.09247	42.3
277.21774	8.2
291.19736	6.4
293.21243	100.0
294.21585	14.1
309.20602	7.0
327.21756	72.0
328.21988	6.4
563.30621	18.5
585.77161	4.9
603.43060	7.2
839.51685	7.8
875.49341	25.0
876.48914	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	871.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98685	1.9
64.69135	1.3
69.03321	4.0
71.01253	11.9
71.22768	1.9
73.02819	2.8
77.47501	1.1
79.95621	1.9
83.01283	3.1
83.04896	5.1
84.02034	1.6
85.02837	10.7
87.00754	3.0
89.02335	7.0
95.01286	1.8
95.04881	1.6
96.95895	15.1
97.02818	3.5
97.06454	6.8
99.00793	1.8
99.92471	3.0
101.02325	7.7
107.58806	1.4
109.06419	1.4
111.08060	2.9
113.02331	3.5
116.92752	32.1
117.01778	2.3
117.92800	1.5
119.03459	1.9
119.08567	1.5
123.04420	3.2
123.08018	1.3
125.02354	4.4
125.05974	2.0
125.09601	7.5
127.11156	2.6
137.09586	2.5
151.11115	1.4
161.04492	5.7
163.11186	5.9
165.12727	4.8
167.10670	2.0
169.01334	2.5
171.10193	30.4
172.10538	1.6
177.12727	2.2
179.10757	1.8
181.12190	2.0
183.13811	4.1
185.11757	7.4
191.10617	1.4
191.14331	3.8
195.13759	1.2
197.11798	15.6
201.11311	1.7
207.10100	1.7
209.11781	51.7
210.12096	2.1
211.13336	19.6
221.11769	3.8
225.11230	2.1
227.12854	8.9
229.14381	11.0
235.08305	4.6
237.11142	2.1
245.19080	9.0
253.09268	25.6
263.20142	2.3
289.18106	37.0
291.19708	11.1
293.21201	5.7
307.19199	26.4
308.19446	3.0
309.20752	16.4
327.21768	100.0
328.22153	6.4
352.41626	1.5
397.13477	2.8
871.49701	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	873.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
64.16499	12.6
78.95749	19.9
80.34282	13.0
82.71746	13.3
85.27356	15.0
88.98674	41.5
89.02333	20.5
98.20547	44.8
114.93240	14.6
116.92747	31.9
125.02325	56.1
149.04472	32.9
161.80766	16.0
179.67758	16.8
197.11702	61.0
214.36844	15.4
253.09373	24.2
291.19562	17.2
297.81354	16.3
309.20667	100.0
355.88007	14.4
357.98999	14.9
369.23227	14.8
658.58612	17.5
667.74921	16.6
745.25275	16.9
873.47760	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
61.60135	1.3
67.17796	1.2
70.87766	1.5
71.00905	1.4
71.01262	17.8
72.99176	1.6
73.02811	3.2
78.95805	1.7
80.96373	3.0
83.01266	2.5
83.04910	1.8
85.02825	4.0
87.00735	3.1
89.02308	14.0
95.01274	2.5
97.02814	3.8
97.06460	3.7
101.02322	12.5
108.55635	1.3
113.02323	5.6
116.92716	2.8
119.03368	2.6
124.27923	1.4
125.02336	6.7
151.11166	13.8
161.04466	2.2
169.12259	76.4
170.12610	3.2
179.05528	2.2
209.11804	2.1
213.11246	10.7
221.06541	2.1
277.21713	23.6
278.22040	2.3
289.21207	1.6
293.21198	1.8
307.19354	2.2
309.20728	2.9
368.40454	1.5
397.13559	6.3
593.24963	2.7
611.25262	4.3
652.15546	1.6
871.46936	100.0
872.47308	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	871.4695
Annotation	Unknow
Peak:m/z	Relative Intensity
65.89317	1.4
69.03331	1.9
71.01251	17.8
72.99150	1.6
73.02805	3.6
80.96379	1.3
81.03320	1.5
83.01241	3.0
83.74515	1.2
85.02822	4.8
85.16982	1.3
87.00744	4.6
89.02325	15.3
95.04928	1.4
97.02831	3.5
97.06458	5.4
101.02323	11.8
101.21721	1.5
113.02322	6.6
119.03362	2.1
125.02346	3.5
125.29294	1.1
143.03452	1.7
143.26866	1.5
151.11194	13.9
161.04474	2.0
165.02017	1.3
168.58354	1.2
169.01508	1.5
169.12259	49.6
170.12436	2.0
176.04074	1.4
187.10229	1.6
209.11769	2.8
211.13210	1.7
213.11255	8.1
227.52499	1.5
229.41255	1.5
268.04224	1.3
277.21713	39.7
278.22055	3.6
293.21298	1.5
392.38409	1.5
397.13528	7.6
415.14957	1.6
611.26123	1.7
768.38092	1.4
871.47021	100.0
872.47168	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	871.2512
Annotation	Kaempferol 3-rhamnosyl-(1->2)-[xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside]
Peak:m/z	Relative Intensity
63.02261	1.0
65.00199	1.2
69.82657	2.2
83.01244	1.0
91.01785	0.4
93.03320	0.7
107.01272	3.0
117.03343	0.9
118.77571	0.4
120.15913	0.3
124.01446	0.4
125.02357	1.7
132.02060	0.8
133.02960	0.4
135.00778	1.1
143.04915	0.5
151.00267	5.6
152.01006	0.4
155.04956	0.4
159.04372	1.0
163.00253	1.0
164.01053	1.2
169.01422	1.7
169.06514	0.5
171.04410	0.7
178.99840	2.3
180.84018	0.4
183.04445	2.4
185.02194	0.5
185.06029	0.5
187.03940	1.2
189.05525	0.6
193.01306	1.0
199.03723	0.8
208.43961	0.3
209.00748	0.4
211.03935	2.8
213.05475	1.2
227.03444	29.4
228.03818	1.7
229.04962	3.1
239.03467	0.8
240.04103	0.7
241.05009	0.7
255.02953	84.6
256.03534	10.1
257.04510	4.0
283.02457	46.2
284.03235	100.0
285.03952	33.8
286.04492	2.3
309.04010	0.8
327.05109	1.1
430.09024	4.3
431.09546	1.5
550.44104	0.4
575.13153	0.5
593.14465	0.5
725.19305	94.1
726.06866	0.7
726.19690	15.0
871.24921	4.2
872.25354	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	10.1
71.01263	25.5
71.58928	5.2
78.31166	3.5
78.95819	4.1
79.95596	4.5
80.91623	3.8
82.95300	10.6
85.02831	9.7
85.45552	3.5
89.02324	11.5
96.95894	100.0
97.02869	6.6
98.95439	5.2
101.02312	8.3
113.02344	6.8
116.92754	5.9
125.02327	15.5
139.12833	4.1
155.10718	4.0
169.01382	5.4
169.06218	3.8
171.10190	8.3
179.05452	5.2
183.13789	8.6
185.11652	4.4
199.09625	12.3
201.11278	9.2
207.10184	8.7
209.11769	15.9
211.13367	31.7
225.11327	8.0
225.14922	3.8
227.12807	5.5
253.09261	4.6
273.58221	3.8
293.21292	6.3
327.21689	7.4
343.21335	5.0
397.13446	15.5
429.20065	4.7
623.25580	4.5
773.35785	7.2
799.36871	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	871.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02264	0.5
65.00201	1.2
67.36367	0.4
68.85308	0.4
69.30449	0.4
69.49234	3.3
72.30360	0.4
83.01254	0.6
93.03356	1.0
104.15205	0.5
107.01275	2.3
125.02347	2.6
151.00273	4.6
152.01065	0.7
159.04448	0.7
161.02391	0.4
163.00316	1.0
164.01018	0.7
169.01338	2.4
169.06435	0.5
173.06039	0.4
173.98799	0.5
178.99759	1.9
183.04466	1.8
187.03845	0.8
193.01344	1.0
199.03882	0.7
211.03859	2.4
213.05553	0.5
227.03441	24.8
228.03865	1.5
229.05035	2.2
239.03493	1.1
255.02954	68.6
256.03503	5.9
257.04477	3.2
283.02469	50.7
284.03241	86.5
285.03964	29.5
286.04395	2.0
309.03900	1.0
321.02530	0.9
327.05103	1.1
430.08978	5.1
431.09802	1.5
679.15216	0.5
725.19312	100.0
726.19678	13.4
871.25122	5.4
872.24884	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
68.44613	4.6
69.03355	5.4
71.01263	22.8
71.60912	8.2
72.29481	3.7
72.99189	8.1
75.00741	10.8
81.03383	5.0
83.01274	12.1
85.02846	22.0
89.02297	4.6
93.03330	8.1
95.01239	4.7
95.21090	4.3
96.95899	8.4
97.02831	10.9
99.00773	5.7
101.02317	9.1
107.01273	6.6
107.92637	4.1
108.01981	4.4
109.02848	20.3
111.00739	5.2
113.02338	12.4
119.04939	8.7
120.53844	4.2
120.71704	4.2
121.02866	9.7
123.04429	20.1
125.02341	100.0
133.02844	6.8
135.04424	4.8
137.02325	31.5
138.03142	5.4
139.03917	5.1
145.02863	7.9
149.02351	20.1
150.03120	9.3
151.00398	5.7
151.03922	17.9
159.04323	5.3
161.02406	24.5
161.06078	6.3
163.00282	35.1
163.03918	11.2
164.01068	10.2
165.01851	18.8
165.05418	4.7
167.03378	5.6
169.01402	32.9
174.03156	4.3
175.00354	6.1
175.03984	10.9
177.01840	25.2
179.03363	5.7
179.38705	5.3
181.04942	5.4
183.04366	5.3
187.03963	10.7
188.04788	6.3
189.01819	8.2
190.02643	12.9
191.03499	8.0
195.06630	7.8
203.03378	8.3
203.07080	8.1
205.04993	13.2
211.03912	9.6
213.05585	5.1
215.03519	6.9
225.05597	6.3
227.03433	8.2
229.01491	5.5
231.02914	4.5
241.08745	13.8
243.02911	10.9
245.07967	9.7
253.05125	5.1
255.02936	37.8
256.03458	6.3
267.07034	7.1
269.04623	10.1
269.08142	9.6
279.06677	5.5
283.02475	34.9
284.03247	6.6
285.04086	30.3
285.07379	8.3
287.05603	6.2
289.07217	50.3
299.05490	7.7
301.03320	8.8
342.88254	4.8
346.04755	13.8
364.06088	6.2
374.04324	14.9
391.08371	6.0
407.07797	15.9
415.08167	9.7
433.09479	30.7
435.11224	5.1
477.08411	18.3
489.10226	10.3
497.12497	6.2
537.10400	18.2
549.10052	8.0
597.14410	10.9
641.13434	37.5
642.13239	5.7
667.18555	10.8
675.12708	10.4
687.16223	6.8
701.15179	8.1
723.17212	51.9
724.17499	12.0
767.16278	50.5
768.16199	10.8
785.15173	5.2
827.18494	28.7
827.38910	4.7
828.18713	9.6
871.22058	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	871.137
Annotation	Unknow
Peak:m/z	Relative Intensity
69.93530	7.7
71.01246	8.0
72.99184	5.8
75.00746	2.7
79.22846	1.4
81.03364	1.7
83.01269	4.3
85.02834	6.1
87.00748	10.9
89.02341	4.2
93.03354	1.4
95.01244	1.5
95.04945	1.5
96.95937	2.3
99.00762	1.7
101.02323	2.9
103.00237	2.0
106.06536	1.5
106.47286	1.4
107.01286	2.2
107.13130	1.5
108.02066	1.7
109.02852	8.2
113.02335	3.1
119.04937	22.8
120.05279	5.3
121.02865	5.5
123.00816	2.1
123.04427	6.2
125.02352	31.6
130.99782	1.8
133.02858	1.5
134.03642	1.8
135.04422	2.3
137.02370	12.2
145.02896	2.9
145.08621	2.2
147.00787	2.2
148.01566	2.0
149.00839	5.0
149.02351	9.4
149.06006	2.1
150.03156	2.4
151.00291	1.8
151.03856	4.2
151.50423	1.3
157.06445	1.9
159.04466	2.5
161.02368	8.0
162.03058	1.5
163.00272	15.6
163.03917	14.0
164.01056	5.9
164.04263	3.3
165.01892	6.3
165.05547	1.6
167.03444	5.0
167.04846	2.1
169.01396	4.1
173.05983	2.2
175.00224	1.6
175.03926	8.9
177.01874	8.9
183.04477	2.8
185.05997	3.6
187.03958	4.1
189.01871	2.8
191.03424	1.7
197.02342	1.9
197.06068	2.7
199.03973	5.7
201.01927	2.2
201.05507	4.8
201.11285	8.0
203.03494	5.9
203.07106	3.1
205.05054	3.3
209.11702	9.9
211.03954	5.1
212.04640	1.9
213.02034	1.6
213.05577	5.0
215.03448	4.5
223.04027	3.1
225.07811	1.6
227.03354	7.2
228.04213	1.6
229.05090	4.8
239.03488	2.5
240.04205	3.0
241.05014	10.0
243.02994	3.3
245.08185	2.5
249.05696	2.6
251.03438	6.1
251.07336	1.7
253.05035	2.3
255.02911	10.2
257.04486	1.8
261.05823	1.7
265.05084	1.9
267.02954	1.8
267.06616	2.8
269.04611	1.9
272.95456	1.5
273.03909	2.4
273.07739	6.0
277.05106	1.8
279.02985	12.4
283.02432	1.7
285.04019	5.4
289.07483	7.3
289.12073	3.2
289.29422	1.8
291.06824	3.0
295.06021	2.9
315.06589	4.7
317.04425	3.5
319.06174	5.2
331.06085	4.2
343.06009	3.0
349.07138	3.6
359.05646	16.5
360.06189	2.9
361.07291	2.3
369.03967	2.4
371.05649	2.2
377.06741	5.7
387.05185	12.1
397.13538	3.0
405.05991	12.8
406.06436	3.7
407.07718	8.5
415.14465	1.9
449.05069	20.7
451.06622	1.5
457.13580	5.7
458.13965	4.5
459.13666	2.8
509.29553	1.5
551.10803	1.7
569.11133	4.9
587.08356	27.1
588.08838	5.0
595.08936	1.6
613.10138	9.4
615.74487	1.5
658.49512	2.0
695.13861	20.3
696.14075	4.0
739.13086	100.0
740.13324	17.6
870.30994	1.9
871.30157	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	869.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	5.8
69.03333	2.0
71.01259	17.5
71.38532	2.1
72.99193	2.2
73.02818	2.8
78.95771	1.4
79.93544	0.9
79.95613	4.6
80.96382	8.0
83.01270	2.2
85.02824	4.8
86.57664	0.9
87.00744	5.1
89.02325	16.0
89.02834	1.4
94.97999	2.5
96.95912	1.2
97.02816	3.6
99.00791	1.2
99.08107	0.9
101.02326	12.9
113.02357	6.9
119.03358	4.5
125.02335	8.2
143.03436	2.8
161.04491	3.8
164.98503	1.5
179.05518	4.3
183.13846	6.8
199.06180	1.2
211.13341	100.0
212.13680	6.1
217.07098	1.6
221.06686	1.7
225.00764	1.4
225.91743	0.9
235.08237	5.0
269.95023	0.9
270.59985	0.9
276.81647	0.8
277.21729	57.0
278.22098	3.4
287.07758	1.0
291.23285	1.1
305.08798	2.2
323.09903	1.2
379.12576	8.3
382.22174	1.0
397.13525	45.5
398.13641	2.9
410.47598	0.9
415.14490	10.0
591.26538	2.1
609.27942	1.5
815.13959	1.2
869.47150	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	869.5267
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98693	1.3
69.03328	2.6
69.75054	3.4
71.01254	7.7
72.99183	0.6
73.02824	1.8
75.00758	0.6
79.95612	0.7
83.01246	1.0
83.04884	1.5
84.02016	3.2
85.02836	3.5
87.00753	1.7
89.02315	4.9
95.01279	1.1
95.04956	1.0
96.95897	17.8
96.96841	1.3
97.02843	2.6
97.06469	7.5
99.00759	0.8
99.04391	0.8
99.92478	1.3
101.02333	5.6
111.08047	6.1
113.02349	3.7
116.92760	13.0
119.03339	1.3
119.08512	0.7
125.02373	4.6
125.09618	1.8
137.09631	1.3
143.03386	1.1
151.11206	1.0
161.04480	3.6
163.11226	1.1
165.12787	2.0
169.01318	1.7
169.12291	3.5
171.10191	12.3
175.11208	1.1
177.12727	0.7
179.05511	1.6
181.12279	1.3
183.13850	1.5
185.11681	1.1
193.12291	11.7
197.11774	28.2
198.12097	1.3
199.13368	1.6
209.11769	1.5
211.13367	9.6
221.11861	1.5
223.13347	1.2
225.14941	17.0
226.15242	1.1
227.12851	1.6
235.08189	3.4
243.15981	8.4
247.20728	1.5
248.32739	0.6
253.09265	27.8
253.14444	1.4
263.20236	2.4
273.18582	1.2
291.19690	19.5
292.19946	1.4
293.21158	0.7
309.20712	58.1
310.21017	5.0
323.22418	1.0
325.20236	1.0
327.21606	1.8
341.23325	100.0
342.23712	9.0
342.27634	1.1
387.04871	0.6
445.12546	0.8
506.90701	0.7
545.29962	1.9
577.32111	3.5
633.43896	5.8
634.43884	1.8
851.47845	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.5279
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98694	1.4
64.77737	0.7
69.03321	2.7
71.01255	8.5
72.99189	1.1
73.02837	1.0
79.95576	1.2
81.03328	1.4
83.01255	1.7
83.04880	2.0
84.02054	3.6
85.02811	2.1
87.00758	1.1
88.98698	0.7
89.02331	4.8
96.58076	0.7
96.95899	18.8
96.96821	0.8
97.02845	5.1
97.06474	9.5
99.04372	1.2
101.02323	7.6
109.02837	1.2
109.06484	1.5
111.08051	4.6
112.01308	0.6
113.02325	3.2
116.92731	1.2
119.03369	1.3
123.04462	0.9
125.02341	7.5
125.09603	3.2
128.03383	0.8
137.02325	1.5
137.09607	2.7
143.03398	0.7
145.06076	1.6
146.04541	0.7
151.11179	0.9
161.02408	0.7
161.04485	3.3
163.00243	0.8
163.11240	1.0
165.12775	3.6
167.14334	0.7
169.01332	4.0
169.12285	1.6
171.10185	16.3
171.11642	1.2
179.05481	1.3
181.12210	1.1
183.13832	0.9
193.12274	12.8
194.12608	0.9
197.11774	22.7
199.13324	0.9
209.11815	3.5
211.13339	9.9
221.11832	1.0
223.13338	0.9
225.14909	17.7
226.15228	0.8
227.12830	3.2
229.32657	0.8
235.08186	2.8
243.16037	8.8
247.20712	1.2
253.09274	27.2
253.14459	1.1
254.09644	0.8
254.14877	0.7
263.20193	1.2
273.18414	1.7
277.21674	1.6
291.19666	27.0
292.19934	2.0
293.21094	1.0
301.03674	0.9
309.20721	57.9
310.20978	5.0
323.22281	0.8
327.21777	1.4
341.23322	100.0
342.23627	9.1
395.66882	0.7
397.13315	1.2
436.69061	0.8
454.54822	0.7
545.29803	1.5
577.32251	3.4
633.43762	5.9
634.44135	1.1
869.48938	1.1
879.78473	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4915
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98687	0.5
63.47559	0.6
69.03333	2.0
71.01257	14.6
71.58456	1.0
72.80772	0.5
72.99178	1.2
73.02818	2.4
75.00763	0.7
78.95761	0.7
79.95611	2.8
80.96391	3.8
83.01257	2.4
85.02826	4.3
85.09010	0.5
87.00752	4.3
89.02322	14.3
92.64243	0.5
94.97964	0.8
95.01283	0.8
96.95884	0.7
97.02838	2.1
99.00788	1.2
101.02327	12.1
109.02822	0.8
110.03878	0.6
113.02343	6.6
119.03410	3.8
125.02333	6.5
125.66586	0.6
131.03392	1.1
139.03879	0.9
143.03427	2.7
161.04475	3.9
171.10242	0.6
179.05533	4.3
183.13811	7.0
193.12292	1.6
199.06097	0.6
206.99561	0.5
211.13342	100.0
212.13660	4.7
217.07062	1.1
221.06584	1.2
225.00673	0.8
235.08243	5.3
253.09271	0.9
263.07559	0.7
277.21732	49.0
278.22049	3.7
287.07767	2.2
305.08707	2.1
323.09778	1.0
329.75092	0.6
333.70432	0.6
379.12476	7.1
397.13510	37.4
398.13794	2.6
411.61490	0.6
415.14520	9.4
429.21759	0.6
591.26416	2.5
609.27075	3.3
610.94379	0.6
675.34039	0.8
869.47290	5.8
870.47235	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.309
Annotation	Unknow
Peak:m/z	Relative Intensity
69.54800	3.7
71.01250	6.8
72.99181	10.4
73.02822	1.1
80.97848	0.5
83.01242	0.8
85.02814	3.2
87.00734	0.8
89.02314	4.5
93.03339	1.1
95.01253	1.0
98.19681	0.6
98.20274	2.0
99.00743	2.2
101.02323	3.3
113.02335	3.4
117.03350	0.7
119.04919	100.0
120.05267	2.3
121.02847	1.0
125.02340	1.7
135.86949	0.5
137.02374	0.5
143.97823	0.4
144.46182	0.5
145.02840	2.1
161.05917	0.6
161.13248	2.1
163.03922	64.5
164.04259	1.9
169.01332	1.0
179.05544	0.7
187.11229	3.2
205.05028	1.3
205.12317	2.6
229.12540	0.7
249.11325	1.4
325.09158	0.6
373.09894	0.5
381.08319	0.5
439.12320	5.8
440.13037	0.7
457.13507	54.3
458.13739	3.6
645.15515	0.9
645.25549	8.3
646.25922	1.0
689.24554	13.2
690.24884	1.6
707.25519	0.5
823.22784	0.5
869.30817	15.9
870.31372	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	869.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98688	2.6
69.03313	2.2
70.20538	2.5
70.20927	3.6
71.01259	15.9
72.99178	23.7
73.02808	9.0
75.66861	1.5
76.50473	1.2
83.01264	2.0
83.04916	1.9
85.02837	7.6
85.35138	1.1
87.00755	3.1
87.34474	1.2
89.02334	9.3
95.04879	1.5
96.95903	2.4
97.02859	2.5
98.19778	1.9
99.00751	13.6
99.04387	1.5
101.02328	8.3
106.10085	1.4
109.02848	1.7
111.04408	4.2
113.02338	10.6
113.51838	1.4
119.08523	1.8
123.04305	1.2
125.02297	1.9
130.93448	1.3
131.03371	2.0
135.08026	1.4
137.02347	3.6
137.09608	6.8
139.12886	1.2
149.02393	1.3
153.09073	2.2
161.04471	1.9
163.07547	1.7
165.01839	5.4
179.10725	3.4
180.04214	2.4
181.04930	1.4
181.08595	3.3
195.06564	3.8
197.11751	14.4
203.14290	6.6
209.38284	1.3
225.05649	1.2
225.07660	5.0
241.10765	12.2
265.14420	1.6
278.27771	1.1
317.56635	1.6
439.71713	1.6
455.92148	1.4
469.20807	3.9
583.23602	12.2
584.24713	1.6
596.88977	1.5
601.24908	23.2
602.25482	2.1
763.34595	1.6
765.33588	3.6
783.35114	1.9
825.35492	100.0
826.35608	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	869.4911
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98678	0.4
64.12312	0.4
69.03322	1.0
71.01253	16.0
71.58589	0.6
72.99165	1.1
73.02821	2.2
75.00755	0.6
79.57120	0.4
79.95613	0.7
80.96390	1.5
81.03320	1.1
83.01254	1.9
85.02834	3.4
87.00742	4.2
89.02316	14.8
95.01294	1.2
96.95892	0.5
97.02834	2.6
99.00750	0.8
101.02319	12.9
108.92073	0.4
111.00830	0.5
111.04400	0.5
113.02333	7.5
113.03078	0.8
119.03392	4.1
121.02864	0.6
125.02320	5.2
128.32220	0.4
131.03389	0.8
133.04996	0.4
141.01779	0.7
143.03394	2.6
161.04463	3.6
167.14334	0.6
177.20964	0.4
179.05542	4.7
183.13832	7.3
193.12262	1.6
199.06046	0.7
211.13336	100.0
212.13673	3.9
214.93811	0.4
217.07137	0.7
221.06583	1.2
235.08191	5.9
249.48611	0.4
253.09398	1.1
253.14368	0.6
277.21719	46.8
278.22049	3.1
287.07718	1.5
298.42258	0.4
305.08804	1.9
323.09799	1.4
359.55704	0.4
379.07733	0.3
379.12418	7.3
397.13495	35.0
398.13892	1.7
415.14584	8.6
416.14975	0.6
487.39243	0.5
514.22217	0.5
591.26654	2.8
609.27618	2.2
609.91248	0.4
675.36487	0.8
741.99017	0.5
869.47394	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
69.34789	1.2
69.35211	2.9
71.00861	0.3
71.01254	9.3
72.99184	11.6
73.02846	1.2
75.00758	0.5
83.01279	0.6
85.02808	3.4
85.04609	0.5
87.00752	0.6
89.02325	5.6
93.03324	0.9
93.73614	0.5
95.01278	0.9
98.19802	0.9
99.00779	1.6
99.04400	0.9
101.02322	3.3
105.29836	0.5
111.04444	0.6
113.02323	3.6
117.03354	1.2
119.04919	100.0
120.05235	2.4
120.57079	0.4
121.02852	0.7
123.04446	0.6
125.02357	3.3
131.03378	0.6
135.04413	0.9
135.84283	0.4
137.02417	0.6
145.02870	3.0
151.03836	0.5
161.06046	0.7
161.13255	2.2
163.03925	59.1
164.04259	1.8
165.05411	0.6
165.09120	0.8
167.03482	0.7
169.01363	0.9
177.01797	0.6
187.11214	2.8
204.00687	0.5
205.05003	1.1
205.12309	6.2
209.08081	1.0
209.11748	0.9
249.11317	4.3
277.07178	0.5
307.08347	0.6
330.53705	0.5
389.14386	0.6
429.17355	0.6
439.12585	5.9
457.13525	52.8
458.13766	3.7
520.05804	0.5
611.60284	0.5
645.25464	7.3
689.24512	26.3
690.24854	3.6
704.31659	0.5
843.97253	0.5
869.30579	19.4
870.31604	3.2
892.84247	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.163
Annotation	Unknow
Peak:m/z	Relative Intensity
70.89655	3.0
70.89996	6.0
71.01257	4.6
73.45747	2.1
83.01269	4.3
85.02822	72.6
111.00737	2.6
124.01514	3.4
125.02334	100.0
126.02718	2.3
129.01820	4.9
134.03581	4.3
147.02881	12.0
147.03902	2.5
168.00549	5.7
169.01335	79.7
169.02791	4.3
191.01910	40.6
191.24182	2.4
198.69922	2.2
207.09439	2.5
209.02974	23.6
223.04486	2.6
287.07718	9.1
293.62872	3.5
313.05597	5.8
331.06683	25.9
368.29813	2.3
385.07687	7.0
439.03076	3.9
439.08804	53.4
440.09137	5.1
483.07770	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
69.71811	9.5
71.01257	25.8
71.10838	1.3
72.99177	23.3
73.02813	3.2
75.00755	1.4
76.07180	1.3
76.11452	1.3
82.07154	1.3
83.01228	3.4
85.02830	10.5
87.00732	1.9
89.02319	19.1
93.03323	10.1
95.01243	2.5
98.20517	2.8
98.56301	1.3
99.00768	3.1
99.04402	7.1
101.02323	10.1
111.04346	2.1
111.44574	1.4
113.02327	10.7
117.03355	1.5
119.03390	5.0
119.04918	100.0
120.05253	1.8
121.02856	1.7
121.10114	1.3
125.02328	6.6
134.30908	1.3
137.02310	1.4
145.02855	3.1
157.06511	2.2
159.08060	6.0
161.13264	2.0
163.03920	62.0
164.04245	2.3
165.09122	4.5
169.01321	2.8
179.05576	2.2
183.08066	1.8
185.09622	2.7
187.11189	3.2
197.09738	1.9
203.07037	6.5
205.12334	3.8
209.08157	9.6
211.11189	1.6
212.12021	2.7
213.12776	1.7
225.12799	4.2
249.11316	4.2
258.89810	1.5
267.07257	1.4
281.19080	14.7
285.04001	1.6
307.17047	2.7
325.17984	2.8
389.14618	4.1
396.72427	1.5
429.17743	1.7
434.93018	1.5
439.12387	6.0
439.19553	3.1
457.13513	31.2
458.13245	1.7
479.15561	2.8
490.10519	1.5
645.25476	17.7
646.26624	1.7
689.24463	48.4
690.24683	5.2
707.25879	3.3
809.27191	1.8
869.30786	66.2
870.30652	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	867.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
66.12350	1.1
69.66720	7.2
71.01256	9.8
73.02821	1.6
76.03159	0.9
80.02547	1.6
81.03333	1.1
81.15476	0.8
83.01256	1.5
83.04899	5.6
84.02029	1.0
85.02817	2.7
87.00753	3.6
89.02321	7.0
95.04857	1.1
96.95868	1.1
97.02811	1.2
98.19854	1.3
101.02312	5.1
105.52089	1.0
109.02831	2.3
113.02320	4.3
119.03423	1.2
125.02346	12.0
137.02338	1.4
143.03339	1.0
151.03827	1.2
161.02328	1.6
161.04478	2.0
163.11186	3.4
165.12740	3.6
169.01334	4.4
177.01822	1.9
179.05522	2.5
209.11774	100.0
210.12099	5.4
221.06506	1.1
227.12863	15.8
235.08267	2.0
265.36099	1.1
297.23276	1.0
379.12363	2.4
397.13513	19.7
415.14484	5.3
566.47388	1.0
607.26117	2.0
812.64972	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	2.6
69.03329	1.5
69.38252	8.3
69.38658	1.6
71.01260	22.7
72.99182	2.5
73.02829	4.1
75.00748	1.9
78.95776	1.6
80.02566	2.2
81.03346	3.1
83.01274	4.2
83.04899	9.2
84.02025	1.9
85.02827	5.3
86.30516	1.0
87.00751	5.1
89.02322	18.0
95.01272	1.8
95.04903	1.6
96.95881	2.2
97.02827	3.1
97.06462	1.5
99.00764	2.1
101.02325	13.6
113.02338	8.1
119.03399	3.5
120.04385	1.2
122.16096	1.0
125.02344	11.1
125.17490	1.0
135.08014	1.1
137.02280	1.7
143.03284	1.3
161.04462	2.6
163.11212	5.8
165.12772	9.3
169.01332	2.9
171.10063	1.5
175.02451	1.0
175.03951	1.2
177.01906	1.8
179.05501	2.2
181.12286	1.2
183.13846	57.8
184.14145	1.9
209.11781	91.8
210.12105	3.8
211.13293	3.0
221.06607	3.2
225.11278	2.5
227.12830	13.0
235.08160	2.8
283.99982	1.1
328.87448	1.2
349.29459	1.0
397.13702	9.3
408.20557	1.0
415.14493	1.4
523.24969	1.2
607.25574	2.0
625.27264	2.8
835.39716	100.0
836.40088	12.4
867.42365	9.3
868.41943	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	867.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00229	1.2
65.00582	0.8
69.89347	5.6
76.89581	0.8
80.25617	0.8
98.20515	1.0
107.01276	2.7
109.02854	1.1
110.79361	0.8
121.02836	1.0
125.02367	1.3
137.34528	1.1
151.00316	9.4
160.33856	0.9
163.00342	1.9
163.78937	0.8
169.01437	1.1
178.99762	3.1
227.03467	1.7
243.03020	5.7
254.02126	1.6
255.02957	13.8
271.02472	25.8
272.03064	2.0
283.02396	1.4
299.01990	1.0
300.02756	61.8
301.03485	41.5
301.06946	1.6
302.03964	2.2
309.13675	1.1
334.94391	0.9
364.76572	1.3
448.01102	0.9
463.08832	100.0
464.09189	9.3
477.31467	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.457
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	5.7
71.58929	3.3
78.95770	3.2
96.74310	3.2
125.02378	4.7
141.00484	4.8
141.01604	100.0
209.11758	20.0
227.12898	5.0
231.10110	4.3
235.08139	3.8
255.23212	3.5
277.21771	25.4
277.72763	3.4
359.22119	4.4
397.13611	3.8
507.61868	3.1
585.50568	3.8
630.83710	3.3
691.37567	4.4
806.13959	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	865.5078
Annotation	Unknow
Peak:m/z	Relative Intensity
66.92447	1.9
67.42355	1.9
71.20432	4.9
78.53561	2.1
78.95777	96.8
83.52505	2.2
96.96851	20.1
129.09103	2.6
140.76671	1.9
152.99498	22.1
153.65268	2.2
167.10507	2.6
171.10135	6.3
181.12276	3.5
183.13782	2.9
197.11710	5.2
199.13306	2.9
211.13387	6.3
223.00108	3.6
241.01118	38.6
255.23264	51.0
256.23550	3.2
293.21365	5.3
311.22189	14.8
447.21155	2.2
553.27679	4.1
636.14148	2.6
865.50793	100.0
866.51251	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	865.5326
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98721	3.1
68.14320	1.7
71.01259	6.3
78.98450	2.3
79.95606	4.9
80.96394	21.0
83.01243	1.8
83.04909	1.9
86.05565	1.6
89.02312	4.7
94.97944	2.5
95.38435	2.1
97.02826	6.0
98.19669	3.3
101.02322	6.0
102.10872	1.6
109.20821	1.7
148.99062	2.8
164.98520	2.8
165.12836	2.8
171.10164	3.4
197.11765	2.1
209.11708	2.4
225.00743	3.2
227.12863	2.4
229.38705	2.0
233.78131	1.7
235.08209	5.1
241.71124	1.6
247.20776	2.1
253.09219	16.4
277.21735	100.0
278.22214	9.2
291.19699	27.4
292.20322	2.2
309.20718	60.3
310.20996	4.4
656.69385	2.1
865.50018	20.3
866.50586	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	867.235
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00204	0.7
70.58080	0.4
71.01245	2.3
71.57422	0.7
73.02823	1.4
73.44690	0.3
73.96239	0.4
81.03343	3.4
81.62183	0.4
82.14055	0.3
83.01263	1.7
85.02824	0.7
88.13582	0.3
89.02311	0.7
93.03336	3.6
95.01268	0.5
101.02341	2.1
107.01283	0.9
109.02854	0.4
113.02335	0.7
119.03406	0.6
119.04909	3.5
123.04411	11.6
124.04710	0.4
125.02325	6.8
126.02628	0.4
127.08329	0.3
130.00734	0.4
135.00723	0.6
135.04410	0.9
137.02264	0.6
144.58472	0.4
149.02385	0.7
151.00250	2.1
155.04910	0.4
158.11844	0.4
161.04434	0.6
163.00255	0.9
163.03839	0.5
167.03413	32.8
168.03752	1.0
168.16228	0.4
169.01343	0.7
169.06512	0.8
171.04459	0.5
179.03418	3.2
183.04489	0.8
185.06021	0.6
187.03975	1.2
189.05434	0.6
191.03522	0.5
197.05995	0.6
211.03876	2.0
227.03444	34.3
228.03766	2.2
229.05006	5.5
239.03362	0.9
240.04463	0.4
255.02968	50.3
256.03574	5.4
257.04581	2.8
267.03058	0.5
273.07675	45.6
274.08002	3.2
284.03256	50.6
285.04013	51.2
286.04364	3.4
331.17657	1.7
349.18558	2.3
368.82773	0.4
383.79736	0.4
389.22397	0.4
391.19730	2.8
431.09805	100.0
432.10159	8.5
435.12909	4.8
626.08960	0.4
634.68268	0.4
784.17108	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03311	1.6
70.02357	7.8
73.47422	1.2
83.01257	5.1
93.03355	1.9
97.02805	2.1
107.04926	1.9
109.02824	12.0
120.41418	1.2
121.02862	2.6
123.04420	8.8
125.02342	100.0
126.02674	3.1
128.75595	1.3
129.32393	1.3
129.51154	1.4
133.02853	7.3
135.04361	2.8
137.02336	14.0
139.03860	3.0
147.04425	1.3
149.02350	2.9
151.03935	9.0
156.27461	1.8
159.04433	4.0
161.02364	29.5
161.05986	3.6
162.03056	1.9
163.00206	2.4
163.03870	4.0
164.01010	5.6
165.01776	3.3
167.03383	3.0
169.01407	2.3
175.03925	18.5
177.01836	11.8
177.05612	1.5
187.03905	6.8
188.04538	2.8
193.04980	1.5
199.03955	5.9
201.05545	2.1
203.03427	2.2
203.07069	3.1
205.01448	2.1
205.04999	3.9
211.04010	1.8
217.05022	8.5
217.47334	1.5
219.02956	3.4
227.03531	1.9
229.05009	2.5
243.02974	16.5
245.04604	8.9
245.08154	4.6
253.04991	1.8
255.02986	5.8
256.03647	2.3
257.04456	2.1
261.04007	4.4
269.04346	3.7
273.03860	2.6
281.04352	1.9
283.02570	1.8
285.04236	1.7
287.05615	27.6
288.05936	1.6
289.07236	20.2
290.07449	2.4
299.05539	5.1
381.09732	2.0
405.06085	6.5
407.07678	22.2
408.07825	2.7
413.08508	7.8
423.07175	4.2
425.08719	8.9
449.08514	8.0
451.10132	5.6
525.08582	1.7
543.09326	3.9
575.11981	3.4
577.13501	7.5
587.11853	2.4
619.15283	2.1
695.13788	6.2
713.14655	3.1
726.17407	1.4
815.55438	2.0
865.19812	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99698	0.3
69.03319	1.3
69.37752	1.7
69.38159	0.6
71.01254	15.7
72.01574	0.3
72.99183	1.6
73.02821	2.7
80.02559	1.3
81.03336	1.9
83.01252	2.2
83.04896	4.5
84.02048	0.8
85.02830	3.8
85.54937	0.3
87.00755	4.4
89.02318	14.1
90.02663	0.3
91.03875	0.5
95.01259	1.3
95.04884	0.6
97.02827	2.4
99.00755	0.9
99.04424	0.3
101.02325	12.9
109.02819	0.5
109.06477	0.3
111.04414	0.6
113.02329	6.8
115.03923	0.3
119.03390	4.1
121.02786	0.3
124.01552	0.4
125.02334	6.7
125.06048	0.3
127.03949	0.3
131.03409	0.8
133.04922	0.5
135.08066	0.8
139.03951	0.6
141.01706	0.7
143.03415	2.8
149.04424	0.4
153.12794	0.5
161.04469	3.5
162.90041	0.3
163.11191	4.2
165.12756	2.5
167.03387	0.4
179.05539	3.6
181.12259	0.9
185.04433	0.4
191.10683	1.1
199.05948	0.4
209.11771	100.0
210.10281	0.5
210.12123	5.2
217.07170	0.9
221.06656	1.2
227.12836	17.9
228.09349	0.3
228.13150	0.9
235.08211	6.2
245.06546	0.4
251.12814	0.4
253.09250	1.0
255.23265	56.5
256.23596	3.6
259.08261	0.6
263.07718	0.6
269.24829	0.8
287.07791	2.0
305.08716	2.0
323.10004	1.3
361.11411	0.4
379.12451	7.1
380.12732	0.6
397.13483	40.4
398.13791	2.7
415.14590	9.6
416.15002	0.4
589.25122	0.5
607.26038	1.2
635.36450	0.7
653.37152	1.4
666.00159	0.3
863.49622	0.5
893.18341	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98689	3.3
62.32301	1.4
69.03312	2.4
71.01254	25.8
72.99191	3.2
73.02822	5.1
82.74380	1.3
83.01244	4.0
85.02814	5.7
87.00755	4.2
87.39021	1.4
89.02327	17.5
97.02836	4.4
99.00740	2.4
99.11163	1.5
101.02331	14.9
113.02349	8.8
115.72263	1.5
116.92713	2.8
119.03366	4.0
125.02327	6.0
143.03439	2.5
144.74284	1.6
160.57964	1.7
161.04454	1.8
165.12788	8.7
179.05574	2.6
183.13834	57.2
184.14134	3.2
188.88274	1.5
209.11768	6.3
227.12843	3.4
235.08063	3.1
255.23280	79.7
256.23694	5.4
286.08405	1.5
305.08951	1.6
379.12610	2.2
397.13657	15.9
415.14648	2.9
781.39343	1.7
863.50073	100.0
864.50366	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	863.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	1.2
69.64474	1.2
69.64899	1.3
71.01256	17.1
71.01660	0.6
72.99186	1.4
73.02827	2.5
73.57233	0.4
75.00736	0.5
80.02554	1.2
81.03330	2.1
83.01238	2.3
83.04895	5.4
84.02057	0.5
85.02819	4.2
87.00762	3.5
87.04352	0.4
89.02318	16.4
91.03886	0.6
91.80192	0.4
93.03355	0.7
95.01276	1.4
95.04906	0.7
97.02835	2.4
98.20516	0.7
99.00771	1.4
101.02330	13.2
111.04414	0.5
111.08044	0.3
111.54918	0.3
113.02333	6.8
116.92725	1.1
119.03407	3.6
121.02828	0.4
125.02333	7.0
125.06001	0.8
126.52668	0.4
127.22376	0.4
131.03348	0.5
133.04961	0.6
135.08067	1.0
139.03865	0.4
141.01836	0.4
143.03375	2.5
145.04965	0.5
147.11592	0.4
161.04410	2.9
163.11208	4.4
165.12749	1.6
179.05540	4.1
181.12404	0.5
191.10707	0.7
199.05972	0.5
209.11771	100.0
210.12106	6.3
217.07144	0.5
220.88872	0.5
221.06599	1.4
227.12833	11.8
228.13200	0.5
235.08191	5.5
251.12990	0.5
253.09204	0.9
255.23271	58.5
256.23563	4.1
269.24783	0.6
287.07547	1.9
305.08716	2.1
323.09732	0.9
328.11383	0.4
357.19400	0.4
379.12485	6.9
379.17062	0.7
397.13501	36.1
398.13831	3.0
415.14566	8.2
416.14731	0.6
433.00577	0.5
589.24664	0.6
619.38495	0.5
653.37469	1.0
791.00549	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03337	1.1
69.72875	2.1
71.01255	14.1
72.99174	1.4
73.02815	2.1
75.00737	0.4
80.02560	1.3
81.03339	2.3
83.01271	2.2
83.04894	5.6
84.02061	0.7
85.02827	3.6
87.00751	3.7
89.02316	11.6
95.01262	1.0
95.04924	0.6
97.02842	2.7
99.00784	0.9
101.02324	10.5
109.06464	0.6
110.78333	0.3
111.00777	0.5
113.02335	6.3
115.03920	0.3
116.92677	0.3
119.03381	3.5
121.02888	0.4
125.02351	5.3
125.05982	0.5
125.09590	0.5
131.03441	0.4
133.04987	0.5
135.08086	0.7
137.02333	0.4
139.03989	0.4
143.03407	2.5
149.04510	0.4
161.04462	2.6
163.11214	4.3
164.11574	0.3
165.12743	2.5
167.03371	0.4
175.65813	0.3
179.05533	3.5
181.12292	0.7
185.04506	0.3
191.10718	1.2
199.13243	0.4
209.11774	100.0
210.12102	5.6
217.07161	0.7
221.06647	1.6
225.11145	0.3
227.12846	12.6
228.13133	0.6
235.06120	0.3
235.08241	4.4
236.08505	0.3
245.06604	0.6
251.12894	0.7
253.09329	0.5
255.23277	43.4
256.23593	3.7
259.08096	0.5
263.07675	0.6
269.24762	0.4
276.79926	0.3
287.07816	1.5
305.08798	1.6
323.09726	0.9
360.41956	0.3
370.15118	0.3
379.12448	5.8
381.60358	0.3
397.13510	29.1
398.13745	1.6
415.14563	7.7
416.14734	0.4
589.24670	0.5
607.26062	1.2
635.36493	0.4
653.36987	0.5
671.62921	0.3
857.30182	0.4
863.49969	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5014
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03329	1.3
71.01257	17.0
71.04918	0.5
72.99193	1.5
73.02821	2.7
75.00741	0.5
80.02557	0.8
81.03329	2.6
83.01258	2.5
83.04906	5.3
84.02048	0.5
85.02817	4.9
87.00750	4.0
89.02319	14.5
95.01264	1.8
95.04890	0.6
97.02835	3.1
97.46231	0.3
98.20563	1.0
99.00768	0.9
101.02326	13.5
111.04440	0.7
113.02337	7.7
115.03891	0.5
116.92751	0.8
119.03391	4.3
124.01567	0.5
125.02335	6.2
125.05979	0.8
125.90279	0.3
131.03401	0.9
133.04939	0.5
135.08075	0.7
139.03951	0.5
141.01796	0.4
143.03444	2.3
161.04503	3.4
163.11198	3.9
165.12752	2.1
167.03488	0.4
170.46490	0.4
179.05539	4.3
187.71292	0.3
191.10759	1.0
199.06097	0.6
209.11775	100.0
210.12100	5.2
217.07166	1.1
221.06595	1.6
227.12845	12.9
228.13217	0.9
229.35597	0.4
235.08226	5.9
236.08612	0.4
253.09167	0.9
255.23273	56.7
256.23596	4.9
263.07690	0.8
269.25034	0.4
287.07700	1.9
297.24304	0.5
305.08881	2.3
323.09967	0.7
361.11490	0.7
379.12424	7.3
380.12741	0.5
397.13510	39.7
398.13947	2.6
415.14545	8.1
416.14908	0.7
580.36481	0.4
589.24854	0.5
607.25543	0.6
653.38013	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.428
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99183	1.2
61.98709	1.7
69.03313	1.2
71.01257	9.2
71.01637	1.3
72.99168	2.2
73.02834	2.0
75.00748	1.0
79.87435	0.7
79.92371	0.7
83.01246	1.4
83.23281	0.6
85.02821	3.0
87.00741	2.5
88.68442	0.7
88.98689	3.6
89.02313	9.4
90.52869	0.7
92.92691	0.7
95.01269	1.3
95.84214	0.6
98.20561	1.4
101.02336	7.5
101.55332	0.6
113.02326	2.5
119.03378	1.9
123.04454	0.9
125.02330	5.5
137.02341	0.9
143.03391	1.2
151.12804	0.7
156.73959	0.7
161.04457	2.1
171.10178	4.7
172.10527	1.6
179.05551	2.2
183.13837	7.9
193.12280	2.2
197.11775	1.0
211.13342	100.0
212.13727	4.0
221.06625	1.0
235.08244	2.8
253.09229	1.3
287.07587	1.3
299.10437	1.2
305.09003	1.2
309.20746	1.8
310.20972	2.0
311.21555	0.9
361.78247	0.8
379.12415	5.4
380.12921	0.9
397.13498	20.2
398.13651	2.1
399.13879	0.7
405.69940	0.7
415.14621	3.4
415.58679	0.7
458.29053	0.8
591.26221	5.5
609.17621	1.2
609.27344	8.0
610.27588	1.1
677.39575	0.7
770.78839	0.8
785.39807	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
70.12587	2.0
70.23306	7.2
78.95777	79.7
87.01150	2.0
96.96841	19.5
100.73233	2.0
110.82649	1.8
111.08023	2.3
152.99490	14.7
174.89693	2.0
195.13806	4.0
197.11787	4.2
223.00134	4.3
241.01176	26.9
255.23260	33.4
256.23660	3.6
291.19632	6.4
309.20636	10.5
334.25903	2.1
377.26743	2.6
391.22507	4.8
445.19623	2.5
553.28430	2.6
571.28479	2.8
584.32892	2.6
860.10272	2.2
863.49323	100.0
864.49432	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	863.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01735	0.4
68.99693	0.6
69.03312	0.7
69.63473	0.3
70.37212	1.0
71.01251	15.8
72.93456	0.3
72.99178	2.5
73.02819	3.2
75.00745	17.2
75.39740	0.2
81.03324	0.6
83.01260	2.8
85.02821	21.8
86.03133	0.4
87.00750	5.5
89.02291	1.7
93.03328	0.3
95.01256	3.0
95.04909	0.3
97.02801	0.9
99.00756	6.9
101.02317	4.1
103.00214	0.5
111.00760	2.9
112.01580	0.4
113.02326	20.3
114.02676	0.5
115.00238	1.8
117.01803	1.2
119.03401	0.3
119.04887	0.4
125.02351	2.4
129.01817	1.4
131.03369	0.5
137.02316	0.4
139.00247	0.5
141.01793	0.4
142.90527	0.3
149.02298	0.3
151.00284	0.3
151.03870	0.3
157.01305	0.8
159.02843	0.6
161.02405	0.4
161.04454	0.7
163.03877	0.3
165.01752	0.4
165.09111	0.6
167.03429	0.4
169.01308	0.6
175.02423	2.1
179.10623	0.4
183.10545	0.3
185.82919	0.2
201.96878	0.3
205.52090	0.2
209.08138	3.0
225.07893	0.2
251.09215	4.5
281.10278	0.7
285.04126	0.3
315.18011	0.5
329.06686	0.4
335.06204	1.1
371.13376	2.1
491.21320	100.0
492.21622	8.8
492.28824	0.4
709.36462	0.3
819.36591	0.7
877.07788	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99698	0.6
69.47121	0.7
69.47524	2.3
71.01257	12.0
72.99191	2.0
73.02824	2.0
73.40090	0.3
74.10863	0.3
74.69344	0.3
75.00748	14.7
79.39120	0.3
83.01256	2.1
84.02033	0.3
85.02827	18.1
86.03123	0.3
87.00761	4.2
89.02332	2.0
95.01272	2.8
97.02849	0.3
99.00758	5.3
101.02325	2.9
103.00220	0.4
111.00770	3.1
112.01539	0.6
113.02336	15.8
115.00259	1.3
117.01820	1.0
119.03433	0.4
125.02332	0.8
129.01833	1.3
131.03476	0.4
157.01314	0.5
159.02829	0.5
161.04503	0.7
165.09106	0.6
169.01323	0.5
175.02379	1.3
205.11501	0.3
209.08124	2.3
239.86974	0.3
288.78699	0.3
335.05981	0.6
373.18723	0.3
431.19418	0.5
477.51288	0.4
491.21341	100.0
492.21716	8.7
538.19733	0.3
832.52509	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.298
Annotation	Unknow
Peak:m/z	Relative Intensity
66.90945	0.7
68.99683	0.9
69.39253	6.1
69.39659	1.1
69.91163	0.7
70.75589	0.6
71.01258	12.4
72.99183	1.8
73.02806	0.9
82.95544	0.8
85.02816	3.6
87.00753	41.6
89.02319	11.0
95.01283	1.7
99.00801	1.1
101.02324	5.6
109.02855	1.4
113.02335	3.9
119.03375	3.5
121.02837	0.7
124.01532	1.0
125.02334	4.1
133.02867	1.3
134.03629	1.6
137.02365	5.4
137.99429	0.9
138.03091	0.9
139.00223	1.1
139.03987	1.1
145.02866	0.9
146.03596	1.6
147.04459	1.4
149.02348	2.1
149.05991	0.8
150.03099	1.3
151.00278	4.2
151.03900	4.3
152.00845	0.8
153.01843	5.9
153.05486	3.4
161.02422	1.7
161.04575	0.8
162.03137	21.0
163.03891	1.8
165.01836	2.7
165.05434	1.8
166.02647	15.5
166.06230	1.2
167.03242	1.4
168.04195	6.3
169.01326	2.1
175.03865	1.4
176.01048	6.1
177.01813	2.4
177.05486	11.5
178.02635	2.5
179.03438	2.0
179.05508	1.5
179.07045	2.3
180.04182	1.7
181.04991	19.4
187.03912	0.8
191.03465	8.8
192.04192	6.5
193.04971	5.1
195.06567	3.0
198.05299	0.9
204.04156	1.2
205.04996	2.5
207.06551	13.0
209.04471	1.6
219.06516	4.1
220.07382	1.9
223.06113	6.3
238.04907	0.8
386.09943	1.1
387.10855	0.9
401.12366	2.1
414.13150	1.1
416.14679	8.9
417.15381	2.6
429.15594	3.4
489.13855	1.9
504.16394	100.0
505.16751	11.8
653.22638	2.8
683.23657	2.5
684.23083	1.1
863.29749	12.1
864.30164	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	863.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
62.36911	0.8
65.00191	1.2
78.59367	0.8
81.03348	1.7
83.01257	7.8
93.03345	4.0
95.01241	1.6
95.04897	1.9
96.86752	0.8
97.02840	3.6
105.03318	1.0
107.04926	0.9
109.02832	23.8
117.03398	1.1
121.02856	7.7
121.06499	1.0
122.03635	1.2
123.00793	1.0
123.04414	14.6
124.04767	1.1
125.02345	63.5
126.02686	2.3
131.04955	1.9
133.02866	5.8
135.00810	1.7
135.04393	2.8
137.02347	33.7
139.03947	3.1
145.02898	1.6
147.00790	2.4
147.04443	4.7
149.02359	23.6
150.03056	1.4
151.03917	9.7
159.04434	3.5
160.01517	0.9
161.02357	34.6
161.06004	4.5
161.68877	0.8
162.03015	3.5
163.00291	14.1
163.03886	2.9
164.01054	6.7
165.01842	4.1
167.03398	2.0
171.04427	1.9
173.02357	1.1
173.05997	2.9
174.03168	2.3
175.03934	14.1
175.07591	1.7
176.01102	2.9
177.01868	9.7
177.05519	0.9
179.03426	4.8
183.04451	1.7
185.05989	1.7
187.03952	7.3
188.04686	4.2
189.05489	3.9
190.02591	1.2
191.03470	1.7
199.03990	5.9
199.07527	1.0
201.01846	4.5
201.05568	2.4
202.02667	1.4
202.06308	2.3
202.99817	1.2
203.03418	2.5
203.07059	10.7
204.04030	1.2
205.01355	3.0
205.05049	7.6
211.03961	2.5
212.04703	1.2
213.05550	3.6
214.02496	1.6
215.03444	3.9
217.04964	6.8
219.02956	1.3
221.08134	1.5
223.04280	1.4
224.04721	1.0
225.05525	1.1
227.03485	2.1
227.07176	1.1
229.01337	1.2
229.05019	3.3
229.23390	1.2
231.02931	1.4
231.06583	1.1
237.05545	1.3
239.03316	0.9
239.07178	1.0
240.04129	1.1
241.04994	4.9
242.02197	1.1
243.02965	12.2
244.03767	1.7
245.04489	5.5
245.08154	11.4
247.06180	1.5
255.02943	8.0
255.05333	0.9
255.06531	1.0
256.03757	3.6
257.04526	6.1
267.03055	1.4
268.03662	1.2
269.04562	3.1
271.06311	1.4
272.03366	1.9
273.04053	2.0
281.04529	1.8
283.02463	2.9
283.05911	1.6
284.03094	2.1
285.04047	48.7
286.04477	4.6
287.05582	11.3
288.02798	1.6
289.07184	79.8
290.07611	5.4
293.04733	1.0
297.07599	1.1
299.02179	1.2
299.05630	24.2
300.06036	2.1
301.03693	1.9
307.06058	4.2
329.06628	1.9
339.08746	1.6
349.07080	0.9
367.08240	1.3
375.05136	1.8
387.05484	1.2
393.06357	1.5
405.06168	1.9
407.07684	13.6
411.07202	100.0
412.07639	9.9
425.08783	4.4
429.06250	1.0
447.07095	5.7
450.06018	1.6
451.10449	26.1
452.10580	2.4
456.59460	0.9
531.09296	5.0
539.09949	1.0
541.07776	4.9
542.08044	1.3
555.09540	2.3
559.08704	15.5
560.09125	2.3
565.06073	1.1
567.09412	2.1
573.10339	16.4
574.10773	1.6
577.13226	2.7
585.10773	1.6
693.12415	14.6
694.12805	2.0
711.13605	16.6
712.13599	2.0
863.18213	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	863.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
60.76261	1.0
69.56584	5.5
69.56998	2.2
80.37711	0.9
98.95592	1.0
107.01265	1.4
107.42945	1.0
110.40717	1.2
119.75150	0.9
125.02345	1.8
132.02046	1.3
138.80997	1.0
151.00259	1.5
165.05620	1.0
187.03857	1.1
211.03932	2.8
213.05359	1.5
227.03452	34.8
228.03801	2.5
229.05000	5.1
239.03471	1.5
255.02980	53.4
256.03665	5.3
257.04547	3.6
261.29025	1.0
284.03271	63.1
285.04028	60.0
286.04437	4.3
298.07138	1.0
431.09848	100.0
432.10260	6.8
461.81946	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
62.73176	0.6
64.08092	0.8
69.38377	8.2
71.01254	12.2
72.99181	1.8
73.02816	1.6
75.00748	2.9
75.59260	0.7
81.03330	1.1
83.01270	1.3
83.66603	0.6
84.43233	0.8
85.02827	7.9
87.00730	1.1
89.02344	4.1
94.89481	0.8
95.01234	1.8
99.00765	2.9
101.02330	4.5
108.02056	52.2
109.02853	13.9
113.02338	7.2
119.04896	0.8
119.57899	0.7
121.02877	1.4
123.00766	1.4
123.04414	1.8
124.01517	0.7
125.02332	10.7
134.03616	1.1
135.04388	1.3
137.02332	2.4
151.03961	2.5
152.01060	100.0
153.01801	5.8
158.19383	0.8
161.02377	1.7
161.04510	1.5
161.13303	1.4
163.03905	5.3
165.01875	3.6
166.02518	0.9
169.01337	3.2
177.01833	3.2
179.03384	1.3
192.60655	0.7
193.04984	1.0
205.12206	1.1
207.02890	1.0
207.10228	1.2
251.05518	0.9
289.07220	1.3
301.03326	1.1
315.07339	1.5
347.17395	0.9
429.10364	5.9
447.11475	18.8
448.11816	1.7
635.23553	3.1
679.22382	6.8
680.21796	1.2
859.28589	43.9
859.42328	4.0
860.29016	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	861.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
70.79845	2.5
71.01255	1.0
82.52577	0.8
87.25497	0.7
93.03298	0.9
107.01266	2.3
108.02069	1.0
109.02792	1.1
114.72456	0.8
121.02855	1.7
125.02309	2.1
147.04408	3.4
148.01521	1.0
151.00259	9.6
154.98532	0.8
163.00244	2.1
165.05463	3.7
169.01355	1.5
178.99765	5.8
207.06622	1.1
226.02832	1.1
227.03429	1.9
229.04848	1.3
243.03000	6.1
245.04539	1.2
254.02197	1.6
255.02994	16.6
256.03262	0.9
271.02481	35.3
272.02881	2.1
273.03812	1.2
299.01984	1.9
300.02744	75.2
301.03488	34.5
301.06470	0.8
302.03903	2.4
343.04367	1.1
361.16370	0.9
477.06882	4.3
499.40814	1.1
523.25049	0.8
609.14618	100.0
610.14844	14.8
662.50061	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01741	1.0
68.99696	1.7
69.03324	3.1
69.30496	1.0
69.30808	10.7
71.01255	80.4
72.01589	1.1
72.99182	5.9
73.02818	21.1
75.00745	2.0
75.54919	0.9
76.64898	0.9
81.03322	3.5
83.01258	10.1
83.04899	4.5
84.02038	1.6
85.02827	47.0
87.00767	5.2
89.02320	24.2
95.01265	6.3
96.95867	2.1
97.02829	5.8
97.44681	0.9
97.68204	0.9
98.20495	2.2
99.00755	7.3
101.02325	47.5
102.02665	0.9
109.02824	2.6
111.00768	2.8
111.04368	4.5
113.02331	25.8
116.92751	2.3
119.03381	8.2
119.08559	1.5
121.02827	2.8
123.04429	1.5
125.02328	15.4
129.01822	1.4
131.03409	2.0
134.03732	1.2
135.04463	1.1
137.02333	2.8
143.03401	5.0
145.02881	1.0
149.04469	10.7
150.00726	0.9
150.03055	2.3
150.04842	1.5
151.03838	1.3
159.02873	1.7
161.04460	10.4
165.01833	2.6
165.05415	1.8
166.02675	1.1
167.03311	1.2
167.38107	1.0
169.01352	4.2
177.01843	1.5
179.05530	3.8
194.36697	0.9
209.11768	1.4
221.06584	2.9
245.06625	2.0
263.07639	2.5
301.03476	2.3
323.09818	5.5
371.22110	1.4
399.39758	1.0
530.83942	1.1
533.31116	8.3
695.36530	25.3
696.36859	4.0
705.17627	1.2
813.40009	2.0
835.18042	1.1
857.41766	100.0
858.41943	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	857.5186
Annotation	1-18:2-2-18:2-phosphatidylinositol
Peak:m/z	Relative Intensity
69.17743	0.9
78.95776	40.7
92.92655	1.1
96.96837	9.9
98.20523	2.7
116.97145	5.7
118.96851	15.5
119.94603	0.9
124.33965	0.8
136.11435	0.8
141.01604	12.8
142.39256	0.8
152.99484	14.5
200.94458	6.9
200.97159	2.5
201.02545	5.0
203.35583	0.8
212.61421	0.8
223.00021	5.7
223.01961	1.7
238.08577	0.9
241.01158	27.9
255.23245	0.9
259.02112	2.6
270.35406	0.9
277.21701	4.1
278.21991	1.0
279.23285	64.9
280.23715	4.4
281.24722	3.4
282.94791	2.7
282.97537	4.4
283.02817	1.6
297.03796	2.5
305.02390	2.4
315.04907	1.2
343.94452	1.0
362.97620	1.0
364.98013	3.2
385.90942	0.9
415.22501	10.7
446.95416	1.1
553.37378	1.0
577.27960	7.2
595.28864	1.5
663.87036	1.1
857.51794	100.0
858.52087	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
70.24996	3.5
71.01261	4.4
73.02818	2.0
73.33353	0.8
83.01246	1.4
85.02820	2.0
86.60844	0.9
89.02309	1.2
95.01283	1.4
96.95911	1.9
101.02337	3.1
102.35573	0.8
107.01272	5.5
108.31620	1.2
111.00778	2.0
112.40005	1.0
113.02334	2.8
123.00761	9.7
125.02339	24.5
132.05692	1.0
133.06487	17.3
134.03633	1.1
137.02342	1.4
139.00261	1.5
140.01099	1.6
141.32886	0.8
148.05232	6.8
151.00290	7.1
151.03938	1.3
163.03889	4.9
163.07564	8.9
164.07169	1.0
165.01794	1.2
168.00584	2.0
169.01335	33.9
170.01678	1.0
170.78891	1.0
176.54887	0.9
178.06290	4.3
179.03319	0.9
186.82797	0.8
193.04985	3.0
193.08623	7.8
223.06294	0.9
313.05627	9.3
414.54575	0.9
423.40952	1.0
447.12964	100.0
448.13370	10.5
694.42383	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	100.0
72.99173	13.3
73.02825	21.9
79.88456	3.5
83.01248	10.3
85.02821	49.2
87.00755	14.0
89.02309	30.8
93.03328	3.8
95.01273	7.5
96.95886	9.8
97.02844	5.9
99.00797	18.3
99.04433	5.4
101.02329	39.7
107.04919	73.3
108.02080	4.5
111.00710	4.2
111.04389	5.4
113.02328	59.6
119.03399	5.6
123.04440	4.2
125.02352	38.0
135.04466	5.0
137.02356	8.6
138.36623	3.5
143.03429	5.0
149.02325	4.6
150.03122	5.5
151.03889	4.3
159.02907	7.3
161.04440	28.1
161.13269	28.5
164.04477	5.0
165.01807	10.7
165.72908	4.3
167.03525	5.1
169.01315	10.4
175.03984	6.5
187.03896	5.2
187.11209	16.6
195.06575	9.6
205.12308	46.4
225.07692	6.5
229.31358	4.8
249.11435	21.8
289.07034	7.1
289.11893	12.9
301.03519	4.7
333.11093	5.1
366.61078	5.2
383.13593	4.9
401.14621	37.4
427.12457	9.6
445.13422	88.6
505.33679	4.7
626.72028	4.5
633.25391	13.3
649.38196	22.7
667.39331	19.6
677.24500	89.0
678.24786	9.5
685.40149	6.9
709.40686	7.5
770.82874	4.2
857.30396	56.9
858.30408	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	857.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00210	1.2
70.34802	2.7
71.01250	1.7
83.01260	1.2
93.03359	1.1
98.20518	0.7
107.01268	1.8
107.04886	0.9
109.02835	0.7
117.03345	1.5
121.06461	0.6
123.04388	0.8
123.08030	2.7
125.02358	1.2
135.00757	1.0
142.17072	0.6
151.00291	6.2
152.01123	0.7
155.04939	0.8
157.70636	0.6
159.04431	1.7
169.01257	0.9
169.06464	2.9
171.04420	0.7
171.11696	2.1
173.02368	0.6
177.01834	0.7
183.04413	3.9
185.02467	0.7
185.06010	2.3
187.03938	1.2
189.05463	2.0
199.03885	0.7
211.03938	3.9
213.05507	2.3
215.03424	0.7
227.03468	9.3
229.05078	2.4
237.14847	1.4
237.50890	0.7
239.03426	1.2
241.04918	1.0
243.02882	1.6
255.02971	68.4
256.03400	4.9
257.04633	3.1
268.03793	0.7
269.04321	1.7
283.02472	100.0
284.03156	21.2
285.04031	78.5
286.04434	4.3
376.01926	0.7
401.08746	1.4
429.08121	5.2
430.09015	15.3
431.09772	23.4
432.10080	2.3
447.09329	4.1
575.14093	2.4
576.15112	0.8
593.15277	3.6
711.22949	55.3
712.23297	10.9
722.59631	0.9
752.78760	0.7
766.98627	0.7
857.28784	23.1
858.29333	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	857.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02272	1.5
65.00201	2.1
67.56806	0.5
69.46685	4.8
78.08459	0.5
83.01262	1.3
83.04895	0.9
87.00735	0.7
91.01826	0.6
93.03362	1.7
107.01272	3.9
109.02821	0.7
117.03369	1.9
121.06480	0.9
123.08044	1.6
132.02084	1.1
135.00758	1.5
141.03342	0.8
143.04907	1.2
145.02873	0.7
147.00797	1.0
151.00250	5.4
153.01788	0.6
155.04863	0.9
159.04408	1.6
163.00284	2.9
167.04880	0.9
169.01346	1.2
169.06534	1.0
171.04393	1.1
171.11708	1.9
182.03625	1.2
183.04424	5.0
185.02396	1.0
185.06024	2.6
187.03882	2.5
195.04471	0.9
196.05136	0.6
197.06027	1.1
199.03970	1.7
201.12842	0.6
211.03882	4.6
213.05418	1.8
215.03482	0.6
227.03461	42.1
228.03860	2.3
229.05031	10.3
237.14946	2.3
239.03499	2.5
240.04158	1.0
241.05058	1.7
255.02966	100.0
256.03497	10.3
257.04568	5.0
267.02881	1.2
268.03735	0.9
269.04483	2.4
281.04471	0.6
281.13895	1.5
283.02478	22.3
283.05600	1.2
284.03253	80.0
285.04028	88.8
286.04337	5.1
400.34460	0.5
446.01746	0.6
533.66431	0.7
575.14063	20.4
576.14398	2.2
593.15100	7.4
594.15118	0.8
648.17645	0.6
857.28723	69.8
858.29095	14.4
866.86694	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03353	2.9
69.28964	18.6
69.29384	5.7
69.51311	1.9
71.01257	55.6
72.99177	17.8
73.02824	4.9
75.00750	42.4
79.64046	2.0
80.26705	1.9
80.49342	2.2
81.03348	2.5
83.01250	7.9
85.02341	3.7
85.02827	50.9
87.00761	16.6
89.02315	8.9
95.01271	8.9
95.36031	2.2
97.02824	5.2
99.00765	25.2
101.02310	10.0
103.00219	2.9
107.04913	4.2
108.02049	2.3
109.02835	6.1
111.00777	3.7
113.02338	41.8
115.00269	5.2
117.01802	3.6
121.02822	5.8
121.51559	2.1
124.01598	3.4
125.02351	29.1
129.01862	6.0
135.04472	10.0
137.02353	5.4
139.19450	1.9
148.01526	2.3
149.02348	15.4
149.05940	2.5
150.03125	4.2
157.01352	5.1
161.04388	3.0
161.13300	2.6
163.00244	2.0
163.03937	11.3
164.04712	9.0
169.01430	3.4
173.96693	2.4
175.02448	5.1
177.01839	4.1
195.06517	3.0
225.05315	3.1
253.05046	6.9
254.05736	4.6
255.02943	2.8
269.08179	61.2
270.05438	18.4
271.02597	2.2
283.08588	2.5
285.07663	52.5
286.08206	8.3
289.07144	3.8
300.10007	47.2
301.03540	3.5
301.10800	8.8
315.12390	100.0
316.12646	5.7
379.08826	2.8
445.13339	6.2
477.17703	3.0
591.20349	3.0
609.12274	3.3
695.22137	7.1
857.26917	91.4
857.40692	49.6
858.26660	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	856.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
64.42947	4.0
65.48768	4.8
69.46933	7.6
69.47334	24.4
71.01254	39.5
72.00441	3.8
72.00758	21.5
72.99187	11.3
73.02817	8.8
75.00750	24.8
83.01270	7.2
85.02830	37.9
87.00756	12.1
89.02317	10.5
95.01213	8.7
99.00758	15.0
99.01522	3.4
101.02328	8.9
109.02831	7.6
113.02325	32.2
115.00253	4.7
119.04932	5.4
125.02353	43.8
129.01819	4.0
130.08618	15.6
149.02377	5.7
155.08188	16.2
156.06528	6.1
161.02383	4.2
167.03394	4.7
169.01332	10.0
177.01802	9.8
181.13412	7.4
183.14973	22.6
193.06653	4.4
197.05984	4.0
201.05234	4.3
211.07555	10.0
220.93858	3.8
223.07556	15.3
224.08327	3.9
227.13976	96.9
235.07588	10.9
237.05540	6.6
249.05553	4.7
251.07149	6.2
256.07410	8.9
259.07761	4.5
263.07159	9.6
265.08713	18.3
269.08167	12.9
270.05273	5.0
275.07272	6.6
279.06720	4.6
281.08185	5.1
283.09647	4.8
285.04178	8.3
285.07654	9.4
291.06708	4.5
293.08115	6.6
296.09317	5.6
300.09784	5.8
301.03461	7.7
303.06757	9.0
309.07584	5.4
315.12439	21.2
319.06165	11.8
320.09482	6.9
321.07779	10.0
336.08615	11.5
337.07474	4.6
342.09720	5.1
344.11218	5.8
347.05573	5.6
364.08142	21.2
365.06680	5.0
382.09232	11.9
405.37561	4.9
407.08105	7.0
445.13538	4.7
509.77960	5.2
546.21753	4.4
588.03949	4.3
592.23114	73.9
593.23358	6.4
610.24042	78.4
611.24591	6.8
622.23828	13.5
640.25159	9.0
664.25281	12.8
682.26031	27.3
700.27234	100.0
701.27594	12.6
722.35114	4.7
766.32916	20.6
856.36554	35.7
857.26691	12.1
857.40106	73.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
62.04710	11.8
71.01248	17.1
71.16871	16.3
71.17168	19.2
84.64648	17.1
96.95886	100.0
98.95452	52.9
105.14375	14.8
152.99379	14.1
277.21716	24.5
285.62180	14.2
293.21149	42.0
463.35577	16.5
855.47491	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	855.467
Annotation	Unknow
Peak:m/z	Relative Intensity
66.36324	4.6
68.99469	7.2
69.03319	4.7
71.01240	11.2
78.95779	9.8
80.96388	11.1
89.02263	5.8
96.95886	100.0
99.00774	5.9
99.92450	6.1
101.02322	5.9
105.40793	4.9
105.99489	4.5
116.92765	38.8
125.02357	14.3
152.99460	6.6
161.82539	4.6
171.10165	6.0
175.80861	5.0
197.11678	8.2
202.47011	4.8
209.11757	7.1
235.08214	7.8
236.13011	5.1
241.14407	8.1
253.09235	16.3
275.68500	4.8
277.21646	28.2
289.18057	41.4
293.21222	46.5
294.21509	5.6
299.08038	5.3
307.19113	7.1
309.20465	9.3
324.82080	5.5
343.24762	17.1
432.83252	4.9
447.87552	5.9
517.27673	6.6
542.36700	5.5
556.45862	6.1
855.47693	24.1
856.47211	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	855.497
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05402	0.8
69.43376	1.5
69.43790	2.5
70.78702	0.4
71.01254	35.0
72.99184	4.5
73.02832	0.9
80.71499	0.5
83.01251	1.5
85.02823	5.9
87.00742	2.3
89.02318	39.4
90.02646	0.8
93.03273	0.5
94.28590	0.4
95.01289	2.4
97.02821	0.6
99.04391	6.2
101.02320	18.6
104.54858	0.4
106.77156	0.6
111.04408	1.5
113.02327	15.0
119.03387	16.5
124.05213	2.4
125.02336	2.1
131.03371	2.6
133.10118	0.7
133.36061	0.5
135.11687	5.0
139.00249	0.6
141.01837	3.7
143.03387	3.9
149.04475	1.7
152.01019	0.7
161.04478	4.9
161.09659	3.4
166.17651	0.5
169.01401	1.1
179.05536	19.8
179.10696	37.0
180.10994	2.3
201.39021	0.4
205.08629	1.1
223.09711	100.0
224.10075	5.2
298.50195	0.5
303.07224	2.3
359.17160	2.5
394.40900	0.5
400.43585	0.5
403.16080	58.1
404.16388	4.4
463.08868	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03336	1.0
69.27082	6.3
71.01253	1.2
76.45894	0.5
80.71381	0.6
81.03333	1.1
83.01271	1.6
85.02812	0.9
93.03359	0.6
95.01278	1.2
95.04877	1.1
95.21451	0.5
97.02841	2.4
99.69150	0.5
101.02328	1.0
107.01266	1.1
109.02837	8.1
111.00803	0.7
113.02339	0.7
121.02856	0.9
123.00762	1.5
123.04382	4.1
124.01530	0.8
125.02338	67.3
126.02642	1.4
135.04391	0.6
137.02345	7.2
139.00314	0.7
139.03925	1.1
140.01057	1.0
140.80527	0.7
145.02859	2.4
145.71216	0.6
149.02364	2.3
151.00333	0.6
151.03906	4.4
156.46469	0.5
159.04440	1.4
160.05203	0.8
161.06001	1.7
162.03230	0.5
164.00975	0.8
165.01814	2.2
165.09126	3.6
166.99817	1.4
167.03334	0.8
168.00507	1.2
169.01338	100.0
170.01648	3.1
175.03897	1.0
175.07422	0.7
179.03380	2.3
179.35042	0.6
185.05980	0.8
187.03928	1.8
188.04657	1.7
193.01384	4.3
201.05461	0.9
202.06207	0.9
203.07060	4.7
205.01526	0.7
205.05034	3.3
221.08144	1.3
245.08185	8.3
253.05055	1.1
259.06125	0.7
271.06116	5.0
289.07181	37.2
290.07532	2.5
300.02698	1.4
301.03339	1.1
303.05197	1.7
309.13510	4.9
327.14514	2.8
331.04553	2.0
369.15695	3.8
441.08258	46.4
442.08569	5.1
463.08728	2.8
525.26703	0.6
579.82141	0.6
738.53748	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03333	4.1
69.33610	4.3
69.34026	2.3
71.01254	9.5
72.99174	0.7
73.02827	1.9
79.04017	0.6
79.95610	0.6
80.02578	0.8
82.95303	1.5
83.01255	1.3
83.04913	1.6
85.02826	10.0
87.00757	2.3
89.02309	5.9
95.01275	1.0
95.04917	1.3
96.95883	10.9
97.02823	5.2
97.06461	3.8
98.95460	0.7
99.00728	0.6
101.02346	6.8
109.06450	0.8
111.04421	0.8
111.08026	5.7
113.02322	3.6
119.03379	1.8
123.08053	1.1
125.02316	1.2
125.09608	1.9
127.11155	2.3
137.09612	2.5
141.09178	0.6
143.03426	0.8
145.04984	1.1
155.10728	1.2
161.04482	4.2
163.11223	1.5
165.12762	4.2
167.14270	1.0
169.12296	2.5
171.10184	29.0
172.10588	0.8
177.12714	1.0
179.05580	1.7
181.12379	1.6
183.13852	3.4
185.11711	1.1
193.12244	1.9
197.11783	33.7
198.12077	1.1
199.13338	2.0
201.01968	0.7
201.11203	1.3
205.15904	0.8
209.11761	3.4
211.13336	18.9
212.13774	1.2
221.11743	2.5
223.13544	0.8
227.12885	2.9
229.14423	11.6
235.08151	10.0
239.12849	2.2
247.20691	2.9
253.09273	37.3
254.09683	1.4
263.20099	1.4
265.18091	1.5
273.18521	1.9
291.19669	30.4
292.20074	2.5
293.21106	1.4
309.20709	93.0
310.21036	7.1
327.21759	100.0
328.22156	6.9
343.20978	0.8
369.60947	0.6
403.13693	0.7
433.20688	0.7
518.33130	0.8
527.28198	0.7
545.29474	3.8
546.30463	0.8
563.30811	4.7
619.42511	4.2
855.49341	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98698	4.9
62.16943	1.5
68.99440	2.8
69.03342	3.4
71.01257	9.7
71.58610	1.9
73.02827	2.8
73.96640	1.3
78.95770	2.0
80.91591	2.5
83.01236	2.6
83.04900	3.1
85.02828	10.3
86.04667	1.3
89.02313	6.2
95.01314	1.6
95.04881	2.3
96.95892	14.7
97.02818	2.8
97.06465	5.6
101.02322	10.0
109.02898	1.6
109.06409	2.1
111.08057	2.4
113.02335	6.6
123.04381	1.8
123.08070	2.6
125.02363	3.8
125.09607	4.5
127.07526	1.4
127.11182	1.8
135.08119	1.9
135.64146	1.3
137.09567	3.4
138.12411	1.4
145.04962	1.5
149.02385	1.4
149.09624	1.4
161.04462	3.6
163.11211	5.4
165.12730	2.8
169.01318	1.5
171.10184	28.5
172.10489	1.6
181.12289	2.7
183.13838	2.6
185.11761	5.7
191.10695	1.6
191.14346	6.1
193.12300	2.7
197.11697	10.2
201.11264	2.0
207.10155	3.4
209.11763	20.0
210.12241	1.9
211.00661	1.3
211.13338	22.3
213.72917	1.3
221.11868	2.6
225.11324	2.8
227.12880	2.2
229.14287	9.4
235.08186	8.9
235.13512	1.6
237.11305	2.6
237.14828	3.9
239.12938	2.1
245.19077	10.9
253.09280	28.9
254.36812	1.6
263.20169	3.1
273.18555	1.8
289.18112	47.7
290.18460	2.6
291.19617	11.0
292.20221	1.7
293.21204	2.7
307.19159	49.2
308.19534	4.4
309.20740	25.8
310.20993	1.6
325.20218	15.1
327.21771	100.0
328.22214	8.2
430.01190	1.5
443.73065	1.5
444.32703	1.5
454.93216	1.5
482.70752	1.3
525.27252	2.3
543.28400	1.6
559.58203	1.4
563.30725	1.9
665.72565	1.5
853.21252	1.7
863.63568	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
62.72222	1.7
63.02273	2.3
65.00190	2.8
67.49651	1.6
78.95731	2.3
83.01248	2.0
91.01756	1.9
93.03338	2.4
107.01273	4.3
125.02321	4.1
137.02336	2.4
138.75659	1.9
139.07570	3.4
143.04906	2.1
150.03145	2.4
151.00259	5.9
159.04390	2.1
161.02318	2.5
163.00221	4.5
165.01826	2.3
169.01376	4.3
181.04909	1.9
183.04462	5.2
187.03955	4.4
187.11203	2.2
207.06561	3.6
211.03920	4.2
213.05315	1.9
227.03465	41.1
229.05086	12.4
239.03296	2.9
240.04248	2.3
243.02954	2.2
255.02975	100.0
256.03488	8.0
257.04486	8.0
283.02527	22.4
284.03262	77.0
285.04044	98.0
285.06659	1.2
286.04401	5.9
305.07501	2.1
397.03854	2.2
449.70645	2.1
472.08670	2.1
575.14026	13.8
593.15088	7.5
855.27203	70.3
856.27594	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	853.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98697	2.7
69.03325	7.5
70.88163	4.3
70.88499	4.6
71.01255	24.3
72.99201	2.4
73.02831	3.2
78.95785	5.6
79.95617	3.3
81.03352	4.1
83.01261	6.0
83.04902	7.0
84.02040	2.7
85.02847	5.6
87.00758	5.1
89.02312	10.8
95.01263	2.5
95.04899	2.9
96.95890	73.9
97.02829	10.2
97.06481	13.7
101.02325	18.7
109.06470	3.6
111.08049	13.9
113.02338	9.8
119.03370	5.3
119.04954	2.2
123.04400	3.8
123.07999	2.7
125.02332	6.7
125.09625	15.6
130.72467	2.1
137.09622	6.7
141.12708	2.6
143.03398	2.8
161.04460	8.4
163.11183	10.3
165.12794	11.9
167.10617	5.2
169.01352	4.0
169.12312	4.5
171.10167	18.9
175.11253	2.4
181.12300	4.3
185.11723	15.8
191.14276	11.2
193.12297	13.5
195.13841	6.9
197.11777	60.3
198.12186	3.3
207.10252	4.1
209.11781	30.6
211.13362	15.4
211.15131	2.4
223.13283	5.9
225.11218	6.0
225.14909	15.5
227.12943	13.1
235.08215	10.1
237.11253	5.0
240.60513	2.5
243.16003	8.9
245.19106	26.3
247.20668	6.1
253.09264	55.5
263.20203	6.8
273.18661	4.7
275.20111	7.1
289.14838	4.2
289.18085	86.7
290.18536	5.5
291.16339	2.7
291.19669	81.8
292.20032	6.5
293.21216	100.0
294.21576	5.4
307.19116	61.8
308.19324	6.6
309.20724	82.1
310.21121	4.7
341.23337	94.0
341.27441	5.6
342.23581	6.3
381.70432	2.2
443.10428	2.3
485.97195	2.7
577.32269	2.8
610.44037	2.6
617.44958	4.4
721.99677	2.4
853.48737	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	853.5322
Annotation	Unknow
Peak:m/z	Relative Intensity
63.33410	0.8
69.03327	2.8
71.01254	7.1
78.95780	1.1
81.03320	1.0
83.01257	1.1
83.04884	1.0
84.02031	2.0
85.02838	2.2
87.00751	1.0
89.02311	4.7
95.01253	1.1
96.95901	3.8
97.02832	1.1
97.06474	9.5
98.19745	1.5
99.00763	1.1
101.02320	5.6
109.06479	1.1
109.65332	0.7
111.08021	1.8
113.02325	3.8
119.03426	0.9
125.02360	2.0
125.09658	3.3
137.09615	1.3
161.04433	2.8
163.11235	1.4
165.12648	0.9
169.12250	0.9
171.10187	9.0
179.05499	0.9
179.14255	1.0
181.12399	0.8
185.11795	1.8
193.12254	11.8
195.13820	6.7
197.11748	7.8
209.11787	3.2
211.13377	5.4
221.11751	1.0
223.13341	5.5
225.14917	17.9
226.15147	1.2
227.12840	1.9
229.29088	0.7
235.08174	1.8
243.15964	8.8
245.19084	2.0
253.09274	30.4
254.09586	0.8
256.13110	0.9
275.20117	4.1
277.21814	1.1
289.18094	7.5
290.18320	1.4
291.19626	6.3
293.21231	84.8
294.21533	7.2
305.21252	1.2
307.19199	5.1
309.20663	9.1
310.21164	0.9
323.22198	0.9
341.23325	100.0
342.23676	8.6
577.32233	2.6
617.44238	8.6
618.44543	1.2
674.21216	0.7
702.90375	0.7
790.05499	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	3.8
71.01254	18.3
71.06916	6.1
78.95786	3.7
81.03353	2.5
83.01260	4.0
83.04924	3.8
85.02831	5.0
87.00737	3.2
89.02336	6.9
93.03356	2.3
96.95887	8.3
97.02831	6.7
97.06480	7.4
101.02335	13.9
111.08039	16.3
113.02326	6.7
116.92764	7.3
123.04380	4.5
124.65913	2.9
125.02319	4.9
125.09664	11.9
137.09647	3.6
151.11189	3.6
153.12706	4.4
161.04460	6.0
163.11188	7.6
165.12770	4.4
169.01180	2.2
169.12244	6.8
171.10194	9.2
181.12198	5.6
185.11771	7.0
191.14340	4.8
195.69579	2.3
197.11780	100.0
198.12196	3.4
199.13303	3.9
207.10260	3.5
209.11758	27.7
211.13318	18.5
225.11255	4.3
227.12866	7.9
235.08223	2.9
237.11336	3.3
245.19122	15.3
253.09320	34.5
263.20316	11.5
265.18292	2.7
271.17004	3.4
289.15155	4.4
289.18137	58.3
290.18481	3.0
291.19653	33.8
292.19928	4.7
293.21313	22.7
307.19159	47.0
309.20700	74.3
310.20950	8.4
341.23358	13.2
341.26907	2.7
355.84628	2.7
445.20758	2.5
581.88062	2.3
872.95355	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	853.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	4.7
71.58167	1.4
85.02827	2.2
88.23721	1.2
96.95888	1.5
101.02317	3.0
113.02328	1.6
119.52849	1.3
125.02330	3.5
131.40356	1.4
135.04376	1.9
137.02304	2.1
147.04420	1.9
148.05208	95.5
149.05534	4.0
161.04404	2.6
163.03917	19.5
163.07558	100.0
164.07890	3.1
178.06268	17.3
193.05061	2.8
193.08640	25.4
197.26187	1.2
202.90521	1.2
203.05496	3.8
228.21400	1.2
280.90500	1.2
334.63824	1.5
341.63528	1.2
476.96820	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.45218	0.7
64.97575	0.7
65.92040	0.7
69.03300	0.7
69.46035	5.6
71.01254	12.2
72.99181	1.8
73.02821	1.8
73.63424	0.6
74.89594	0.6
77.63197	0.7
80.02541	1.5
81.03326	2.3
83.01246	2.0
83.04906	4.4
84.02052	1.1
85.02831	3.8
87.00763	3.7
89.02308	9.2
95.01263	1.3
95.04895	1.0
96.95856	0.7
97.02822	1.8
97.70663	0.7
99.00746	0.8
101.02338	6.7
109.02829	1.0
111.08039	0.6
113.02330	5.9
119.03379	2.8
119.57404	0.7
123.04349	1.2
125.02335	8.6
125.09613	1.3
127.01225	0.7
127.11219	1.8
132.02942	0.7
137.02339	1.8
143.03365	1.4
155.10713	0.9
161.02365	1.4
161.04436	2.1
163.11165	4.2
165.01741	1.1
165.05501	1.0
165.09180	0.8
165.12755	1.6
169.01366	2.9
171.10252	1.8
175.02448	0.7
176.01064	0.6
177.01891	1.4
179.05521	2.8
181.04985	0.8
181.12152	0.7
187.15599	0.7
191.03500	0.9
191.10709	1.3
195.06535	0.7
201.11259	36.7
202.11548	1.2
209.11771	100.0
210.12117	4.4
227.12854	15.7
235.08125	3.7
263.07797	0.7
285.04028	0.8
305.08774	1.0
379.12332	3.2
397.13513	23.2
398.13791	1.2
415.14481	6.9
465.07233	0.7
581.24445	0.7
599.25897	0.9
607.26709	1.7
853.42078	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	16.6
69.03323	4.7
69.04472	2.7
71.01265	28.4
71.04909	4.7
72.99165	4.7
73.02807	10.5
75.00745	7.7
79.98478	2.6
81.03332	5.5
83.01252	4.5
83.04901	4.3
84.02062	4.3
85.02811	17.1
87.00755	7.6
87.04397	5.0
89.02312	10.6
95.01254	3.4
95.04905	7.3
96.95881	3.4
97.02840	18.4
97.06467	8.3
98.19736	6.5
99.00766	5.5
99.04446	3.9
101.02329	12.0
101.19960	3.0
109.06459	4.8
111.08021	5.1
113.02345	18.9
116.92751	4.6
121.06483	3.9
123.08035	6.0
125.02337	5.4
125.09601	24.4
135.08092	6.3
137.09608	9.9
139.07541	7.7
151.07419	2.9
153.09181	14.2
155.10681	20.2
157.01398	2.6
161.04462	4.1
162.87273	2.6
163.11215	6.5
165.12778	11.2
171.10269	16.0
174.76852	3.2
181.12202	3.5
183.10236	13.8
185.11757	6.3
191.14340	6.3
193.12259	3.6
195.13867	5.0
197.11795	10.9
199.09753	11.4
201.11255	8.4
204.02925	3.3
207.10141	6.6
209.11870	15.4
211.13365	8.4
213.11288	32.2
220.72835	3.0
221.11786	4.0
223.13373	5.9
225.11272	7.3
227.12790	7.0
235.08215	4.9
243.17595	3.7
245.19250	4.4
247.20639	6.3
253.09274	39.6
259.16995	3.9
261.18686	5.9
273.18536	3.7
279.19724	6.3
287.16452	13.9
289.18076	15.8
291.19669	76.7
292.20041	8.3
293.21298	27.7
303.15857	4.2
305.17603	31.3
307.19211	7.6
309.20734	100.0
310.21030	9.4
323.18680	38.5
323.22238	6.0
419.19214	14.2
541.26587	6.9
559.26923	3.0
575.83392	3.3
833.46539	6.9
851.48108	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	851.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00982	2.7
59.01257	27.7
61.98703	60.6
69.03328	2.3
69.63101	1.9
71.01257	32.7
72.99184	2.9
73.02834	3.5
75.00728	3.4
83.01267	4.5
83.04886	2.3
85.02808	9.9
87.00737	5.4
88.68156	1.7
89.02328	19.5
95.01268	3.0
96.95909	5.2
97.02830	5.1
99.00779	2.9
101.02336	18.9
111.67888	1.9
113.02314	9.3
115.05414	1.6
119.03375	5.4
123.99304	1.8
125.02336	13.5
139.07504	2.0
165.12752	7.8
169.01350	5.7
171.10182	5.9
179.05583	3.9
183.13838	84.3
184.14139	3.5
193.12280	2.2
201.11264	3.9
207.10173	2.5
209.11783	16.3
211.13332	79.7
212.13646	3.5
215.12886	3.4
221.06625	2.1
225.11313	4.9
227.12785	9.3
235.08250	4.9
242.47438	2.2
246.86386	1.9
317.32440	1.9
379.12573	3.6
397.13519	16.7
402.09525	1.8
415.14697	6.6
466.62637	2.1
609.27618	2.5
617.00116	2.2
625.27704	2.8
703.94781	1.9
726.37207	2.4
819.40228	100.0
820.40204	17.7
851.42621	19.8
852.42218	3.8
878.59564	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	851.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	9.2
61.98699	3.1
63.96099	1.0
66.97587	0.7
70.11374	2.2
70.11781	1.8
71.01252	11.1
73.02825	2.2
75.00720	0.8
79.95603	2.1
81.03337	1.2
83.04897	2.1
85.02824	3.2
85.06455	0.9
87.00766	2.9
89.02329	3.9
93.03358	0.7
96.95870	1.7
97.02832	1.1
97.06487	1.3
98.20443	1.3
101.02325	5.8
109.06458	2.0
111.08018	2.0
113.02312	2.6
118.44230	0.8
118.92858	0.7
119.03394	1.0
121.02900	1.2
125.02298	3.9
125.09608	3.4
137.09636	1.0
145.04921	0.9
155.10657	1.0
161.04480	1.9
165.12834	1.2
167.14262	1.1
169.01294	2.5
171.10188	22.2
174.04878	0.9
183.13837	16.7
183.15378	1.5
184.14139	1.0
192.81886	0.7
193.12296	2.4
201.11211	1.6
204.65439	0.8
207.10237	1.6
209.11769	7.9
211.13339	100.0
212.13673	4.5
215.12668	1.5
215.14436	2.7
221.15417	1.1
225.11400	1.6
227.12944	1.3
231.13947	1.2
233.15456	6.6
235.08238	2.6
249.14905	9.5
249.87511	0.7
253.09236	2.3
367.22696	0.8
375.25519	1.0
385.23944	6.3
386.24243	0.9
397.13452	3.3
403.24866	11.7
404.25357	1.3
407.19305	1.0
421.25870	2.5
422.26160	0.8
460.35779	1.0
611.34100	1.5
621.32782	33.2
622.33154	4.1
625.73438	1.0
639.33899	28.4
640.33838	4.0
819.40198	6.8
820.40381	1.7
851.41327	1.6
852.41663	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	16.3
63.34839	1.6
69.03329	1.5
71.01256	16.2
72.99175	1.5
73.02821	2.7
83.01254	1.9
85.02830	5.5
87.00755	3.5
89.02313	10.0
92.55215	1.5
95.04924	1.9
97.06444	5.0
98.19732	3.5
99.00777	2.6
101.02333	9.4
113.02317	5.1
116.14420	1.6
119.03445	2.0
123.25648	1.4
125.02351	1.8
144.22606	1.5
144.61011	1.8
151.11200	10.7
169.12253	46.4
213.11244	5.0
221.06506	1.9
248.33435	1.5
255.20679	3.1
255.23283	52.0
256.23727	3.8
304.36346	2.0
356.86560	2.1
397.13531	5.5
573.24554	1.7
593.24438	2.7
849.48566	100.0
850.48743	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	851.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	5.9
59.21155	0.5
60.98572	0.6
63.02276	0.8
65.00166	0.6
69.69275	3.8
71.01228	1.2
74.89661	0.5
78.26123	0.5
80.28601	0.5
83.01259	0.8
84.26795	0.5
96.95870	0.6
107.01265	2.1
109.02863	1.2
121.02831	2.1
125.02339	3.0
135.00795	0.6
137.02303	0.4
148.01544	1.0
151.00258	8.1
159.04417	0.7
161.04488	0.6
163.00252	2.1
163.03850	0.6
168.07796	0.5
169.01344	2.4
178.99771	4.6
187.03885	0.5
208.74419	0.6
211.03958	1.1
227.03432	1.5
243.02954	5.1
245.04550	1.4
254.02217	0.9
255.02959	12.9
256.03519	0.5
271.02463	28.2
272.02783	2.4
273.04059	1.2
278.62952	0.5
282.33618	0.5
283.02481	1.4
299.02057	0.5
300.02737	57.8
301.03506	58.4
302.03940	3.4
373.18414	0.7
433.07724	100.0
434.08020	10.4
494.69821	0.6
548.29102	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	33.3
69.12862	2.7
71.01249	27.5
72.99178	44.6
73.02811	10.6
83.01273	6.0
85.02816	12.2
87.00757	5.1
89.02319	8.9
96.95892	3.7
97.02863	3.1
98.20296	14.2
99.00772	20.5
101.02325	8.1
109.02892	3.3
111.04408	9.3
113.02322	15.6
121.02821	13.7
125.02316	6.7
135.04440	2.9
149.02356	69.4
149.04265	3.2
150.03062	9.8
153.09106	3.9
160.36115	2.8
161.04509	3.3
164.04698	36.8
165.05443	4.1
169.01360	2.7
175.00279	5.8
175.07971	3.3
179.07141	4.0
185.13269	4.1
190.02641	21.8
191.03340	5.3
191.05414	3.1
193.01404	5.9
203.14284	5.2
205.05023	17.8
208.03653	12.2
209.04405	9.6
221.15129	2.5
223.06064	41.8
263.67041	3.1
280.86459	2.8
288.02017	3.1
372.48462	2.9
407.41125	2.9
418.98181	3.0
469.20731	10.8
541.23157	4.2
549.87921	3.0
583.23981	30.1
584.24371	3.7
590.57343	3.4
601.25055	100.0
602.25159	10.8
621.11108	3.2
807.30896	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	849.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01604	0.9
62.61083	0.7
71.01253	21.6
73.02824	25.8
76.23634	0.7
83.01260	9.5
85.02818	4.6
87.00721	1.4
89.02325	6.0
101.02325	29.9
101.03002	1.4
107.01292	1.0
113.02339	11.2
113.20863	0.7
119.03438	4.3
125.02327	2.0
131.03419	2.7
143.03415	3.6
149.04460	7.3
151.00290	1.5
161.04480	13.1
163.00237	1.3
175.20676	0.8
179.05600	1.3
185.05936	1.6
187.03897	1.0
189.05600	0.8
203.05470	1.2
211.03931	2.0
213.05594	1.0
221.06660	4.9
227.03461	31.7
228.03854	1.1
229.05087	5.4
255.00285	1.6
255.02963	42.9
256.03577	5.0
257.04507	3.0
284.03271	44.1
285.04019	54.9
286.04401	4.1
313.53299	0.8
314.57773	1.0
331.17542	2.0
373.18558	3.7
424.13718	0.9
431.09827	97.1
432.10123	8.3
606.75818	1.0
659.66107	0.9
807.33423	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	6.6
61.42980	0.5
69.03316	0.8
69.44194	2.3
69.44624	2.0
71.01259	14.5
72.99181	2.6
73.02824	2.2
75.00748	16.6
81.03308	0.7
83.01263	2.3
85.02825	18.9
87.00753	4.4
89.02305	1.9
95.01256	2.8
96.97562	0.6
98.20492	0.9
99.00768	6.9
101.02327	5.1
109.02843	0.8
111.00755	0.7
112.01539	0.7
113.02330	17.7
115.00266	1.9
117.01828	1.0
125.02316	3.4
129.01849	0.9
137.02351	1.0
137.46504	0.5
142.63057	0.5
151.00256	0.9
157.01285	0.8
161.02277	0.6
161.04488	1.0
165.05492	0.6
165.09129	1.5
169.01363	1.0
175.02385	1.8
175.03748	0.5
177.01918	0.6
209.08145	6.3
210.08595	0.5
226.26479	0.5
251.09143	0.8
301.03702	0.9
303.18027	0.7
371.13559	0.9
479.21335	100.0
480.21732	8.8
587.04822	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4975
Annotation	Unknow
Peak:m/z	Relative Intensity
60.12316	2.0
69.24844	18.2
69.25248	4.9
78.26569	1.9
78.95777	84.5
96.96845	21.1
110.07584	1.9
135.57407	1.8
152.99512	18.8
170.75598	2.2
171.10257	2.5
195.13806	6.0
223.00130	8.2
223.13402	3.5
223.91809	2.0
241.01138	42.4
255.23248	56.9
256.23672	4.3
257.76160	1.8
259.02322	2.7
275.20187	4.8
293.21243	24.2
391.22729	5.2
429.20645	2.6
468.29257	2.1
489.11459	2.6
553.27917	4.3
783.13464	2.7
847.49835	100.0
848.49860	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	849.267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	6.8
67.01761	0.4
69.03330	2.1
69.03650	0.3
69.40686	0.3
69.73936	2.7
71.01260	3.9
72.99188	1.5
73.05927	0.3
79.01744	0.4
81.03334	0.7
83.01268	0.6
85.02815	1.0
89.02299	2.0
90.90475	0.4
93.03377	0.4
95.01252	1.4
97.02821	2.1
98.02383	0.4
99.00749	0.6
101.02327	1.4
113.02337	1.6
119.03355	0.6
119.26563	0.4
123.00766	2.1
124.01562	3.7
125.02335	69.2
126.02674	1.4
128.29185	0.4
135.04379	0.4
135.11676	0.4
137.02365	0.7
139.00218	0.6
139.03926	0.6
149.02333	0.5
153.23459	0.4
159.77423	0.4
161.09700	0.4
166.99762	0.7
167.03342	0.5
168.00560	6.2
169.01334	100.0
170.01688	2.4
177.01820	0.5
179.10687	3.7
181.01357	0.7
193.01334	0.6
223.09607	2.3
225.07809	0.4
265.03549	0.5
283.04623	0.5
313.05563	1.1
331.06705	3.4
343.06696	0.8
363.45322	0.4
376.14261	0.4
445.09796	5.6
463.10956	3.4
499.18146	1.1
625.21259	3.4
669.20313	20.0
670.20880	2.0
679.24921	0.6
849.26654	19.1
850.27094	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	847.4973
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95773	74.9
79.95615	3.3
80.96392	8.6
91.14936	1.6
96.96833	15.2
117.99657	1.6
118.44186	2.2
152.99519	18.0
164.98549	3.1
179.14294	1.7
195.13890	8.9
202.21446	1.9
212.96950	1.9
223.00078	6.4
223.13316	4.0
241.01172	35.1
255.23288	50.3
275.20209	4.6
293.21292	22.1
297.03894	2.6
315.04803	2.3
391.22583	5.0
523.07886	2.6
553.27332	2.6
847.49799	100.0
848.49896	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	847.4974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	2.9
62.96256	0.5
71.01231	0.6
71.56777	0.9
78.79496	0.4
78.95776	100.0
80.96393	0.9
92.92675	2.4
96.96840	20.1
97.06451	0.5
111.33527	0.4
113.09588	1.9
116.97099	2.2
134.98422	0.7
139.11226	0.4
141.01619	1.4
150.42297	0.5
152.99492	14.6
171.10155	0.6
188.02808	0.4
195.13795	1.7
223.00061	4.1
223.13379	0.7
235.16933	0.9
241.01157	17.3
242.01477	0.6
255.23265	25.1
256.23560	2.0
256.93179	0.6
259.02222	0.7
269.24942	0.7
275.20093	1.5
279.23160	0.8
280.97784	1.0
293.21170	7.4
297.03793	0.8
338.93661	1.3
345.48804	0.5
391.22324	1.5
420.93964	0.5
519.14661	1.9
553.27692	1.7
810.65088	0.5
838.73560	0.7
847.49805	22.9
848.49597	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	847.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
61.99004	2.4
64.64301	3.1
71.01263	11.9
71.38380	4.8
73.02795	4.2
78.95747	2.4
85.02827	6.3
96.95878	3.5
101.02328	7.7
113.02317	6.0
125.02332	6.3
146.22136	2.6
149.02342	3.7
161.02197	2.5
229.45860	2.9
268.03735	11.3
283.06104	22.8
287.92496	2.9
303.67767	2.8
315.18045	13.2
606.98022	3.1
713.98657	3.0
782.38391	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	847.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	3.2
70.13002	3.8
70.13387	4.6
71.01263	4.4
78.95789	4.4
93.03344	3.3
95.04925	1.9
96.95881	10.5
97.02789	4.2
108.05704	3.0
109.02839	3.0
110.60711	1.7
111.04425	4.2
113.05966	5.0
119.08527	2.3
120.61355	1.8
121.02819	4.6
122.03616	21.8
123.08018	4.5
125.02404	2.4
125.05959	6.1
135.08025	1.9
136.05208	5.4
137.05931	4.4
138.06763	10.0
139.07526	15.5
148.05205	4.5
149.02350	26.8
149.06049	2.1
150.03128	96.9
151.07550	34.6
152.04677	3.6
152.08339	16.0
153.09085	3.9
159.11732	1.9
161.09596	4.4
163.07530	7.5
164.04732	5.7
165.05478	100.0
166.05826	5.2
177.05424	2.7
180.04184	6.9
189.09160	4.1
193.04994	1.9
195.06552	69.3
196.05147	1.8
196.06854	3.3
201.12807	11.9
201.14465	2.8
203.10577	8.9
204.11504	27.7
205.11850	1.8
210.78310	1.7
219.13855	36.3
263.12885	23.4
264.13333	2.5
265.05072	1.9
283.09705	2.7
297.07727	2.9
311.09155	2.2
323.09137	3.0
326.11557	4.9
327.08722	5.0
339.08664	8.2
339.12354	3.2
341.14017	2.2
342.11020	11.1
343.11703	2.0
351.12811	1.9
354.11252	5.1
357.13455	36.4
358.13977	2.3
369.13419	38.3
370.13663	3.2
457.12762	2.2
472.15762	2.1
505.18756	4.9
535.19745	69.4
536.20154	6.3
553.20447	2.8
583.21869	43.1
584.22095	6.6
847.49664	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	847.488
Annotation	Unknow
Peak:m/z	Relative Intensity
66.41334	3.5
71.01262	10.0
78.98467	6.8
79.95626	20.7
80.13543	3.8
80.96396	100.0
85.02824	7.1
94.97961	16.5
97.74768	3.1
106.97971	5.6
112.46330	3.1
122.97440	4.7
131.69231	3.8
134.97481	7.6
148.99052	6.4
152.98569	5.6
164.98560	12.6
225.00699	22.2
229.80089	3.7
253.94612	3.7
356.65939	3.4
512.99603	3.5
551.87494	3.7
847.48798	81.3
848.48737	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	847.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	5.0
69.65229	0.7
69.84699	0.5
71.01252	2.4
71.59773	0.6
71.60145	0.9
73.02804	0.8
76.23682	0.6
77.69489	0.5
83.01260	0.9
85.02848	1.4
89.02346	1.0
93.03314	1.2
95.05007	0.5
101.02309	0.8
109.02827	3.0
113.02352	1.3
117.03342	1.3
119.04897	3.5
121.02869	2.1
123.04427	1.7
125.02296	5.1
137.02356	4.2
145.02885	5.3
147.04399	1.5
148.05205	100.0
149.02345	1.0
149.05540	4.0
150.03069	1.0
151.03920	1.3
159.04488	1.1
162.03300	0.7
163.03926	2.9
163.07558	94.9
164.07903	4.0
165.01857	2.4
165.05417	1.0
175.03838	0.7
177.01849	2.1
179.03374	0.8
181.05020	0.9
187.03883	0.6
189.01811	3.5
190.02708	1.3
191.03407	0.8
195.06505	1.2
202.88394	0.6
203.03502	1.3
203.07137	1.4
217.01305	3.3
218.01904	0.6
218.05957	0.8
219.02849	1.2
233.08151	1.8
245.08253	1.5
247.21056	0.6
253.05060	0.6
271.06046	1.7
289.07184	15.6
341.06616	7.5
356.79840	0.6
359.44669	0.6
435.10910	9.6
440.47250	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	19.7
71.01254	13.6
72.99171	3.9
83.01260	1.1
85.02827	4.0
85.29446	0.8
85.84795	0.9
89.02313	7.3
95.01260	2.2
95.50327	1.2
99.04430	0.9
101.02323	5.1
108.02049	29.7
109.02847	1.1
113.02345	6.6
119.03385	1.8
122.03644	1.3
123.04414	16.3
125.02334	3.0
133.10126	0.9
135.11705	1.8
152.01064	61.6
153.01392	1.3
161.04451	1.1
161.09610	2.9
167.03410	100.0
168.03700	4.8
177.01726	0.9
179.05411	1.0
179.10695	15.5
208.38962	0.9
223.09724	10.0
245.09328	1.0
355.14182	1.0
403.16147	1.4
443.11920	26.5
444.12369	1.8
447.66553	0.9
452.69504	0.9
461.12927	8.6
499.18256	3.8
503.88022	1.1
623.23511	2.1
667.22382	37.9
668.22705	6.5
688.86060	1.0
847.28662	28.2
848.29370	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	847.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
62.84911	0.4
63.02272	3.7
65.00191	7.7
70.15951	1.5
71.97463	0.5
73.49089	0.5
75.02748	0.4
83.01249	5.0
84.86392	0.4
93.03319	2.5
98.19828	0.5
107.01275	12.5
109.02830	1.6
121.02844	10.3
133.71449	0.4
139.03903	0.7
142.44287	0.4
149.02348	1.3
151.00272	39.1
152.00623	1.3
159.04361	0.5
163.00288	0.8
163.03902	0.5
164.01033	0.6
169.01308	2.5
178.99792	16.1
187.04033	0.7
192.00632	0.6
193.01335	0.8
195.04433	2.5
211.03938	3.1
223.03928	0.8
227.03493	0.5
229.05002	1.3
239.03450	16.3
240.03790	1.2
245.04518	0.8
251.37573	0.4
254.05806	10.7
256.03552	0.5
257.04422	0.9
266.02234	0.6
267.02966	4.3
273.04013	2.0
281.04626	0.6
282.05334	51.1
283.05737	3.6
295.06030	0.5
297.07672	76.7
298.08038	6.3
300.02380	0.5
301.03516	100.0
302.03857	6.7
307.06100	3.0
319.61563	0.4
335.18866	0.4
339.08627	1.8
419.72943	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	7.5
61.84082	1.8
62.27985	1.7
71.01254	9.4
71.46873	3.6
72.24280	1.8
72.99187	2.1
75.00752	2.1
76.48360	1.9
85.02827	10.7
93.03344	2.9
95.01221	2.8
99.00757	3.9
103.00292	1.9
107.01274	2.6
109.02829	3.1
110.39941	1.9
113.02341	13.9
114.52485	1.9
137.02354	2.1
141.28572	1.7
144.55736	2.0
175.02400	6.4
211.03874	1.9
213.05649	2.5
227.03441	3.6
229.04929	10.2
257.04572	8.8
285.04065	100.0
286.04388	9.0
461.07269	34.2
462.07245	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	845.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	14.9
61.98699	5.5
69.03325	1.8
70.40173	1.4
71.01249	12.5
71.58765	2.4
72.78152	1.3
72.99188	1.7
75.00738	1.7
75.85945	1.3
85.02822	3.5
87.00735	3.4
88.03876	1.4
88.98695	1.6
89.02321	9.5
92.81587	1.2
95.04881	2.0
97.06459	16.4
101.02316	10.6
101.66998	1.3
112.64098	1.3
113.02309	3.7
123.08067	7.9
125.02320	3.1
125.09617	100.0
126.09933	2.4
143.10628	1.8
169.08611	2.1
171.10167	1.4
187.09691	67.8
188.10011	2.6
193.25964	1.4
209.11757	3.2
221.06645	4.3
230.91679	1.4
235.08194	1.8
277.21793	13.2
293.21304	2.1
527.28058	1.5
567.23517	2.7
580.11346	1.8
585.24298	8.2
845.45361	85.9
846.45850	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	845.454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	16.8
59.15541	1.8
71.01256	16.7
71.57943	3.1
72.99165	2.8
79.22932	2.1
81.03335	2.2
85.02816	3.9
87.00732	6.2
88.98694	2.4
89.02303	10.5
95.01302	2.0
97.02851	2.3
97.06470	15.6
101.02299	8.3
113.02345	4.3
119.03336	3.3
123.08087	9.5
125.02316	6.2
125.09618	69.9
135.61636	2.1
160.37254	2.0
171.10120	3.4
187.09679	40.5
209.11736	4.7
225.94289	1.8
253.09503	2.1
277.21725	36.2
278.22031	2.3
301.00528	2.1
397.13464	8.7
415.14206	2.4
567.22528	2.6
655.31000	2.2
714.91003	2.1
845.45380	100.0
846.45825	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	845.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
61.38755	6.0
66.38815	6.0
70.73684	8.2
70.74020	10.7
71.01244	9.3
78.98474	7.3
79.95576	12.4
80.96400	68.0
94.97994	14.8
125.76227	5.3
164.98532	11.2
190.75909	5.9
199.60422	5.8
225.00757	12.1
393.55908	6.5
454.87424	6.2
505.10922	6.1
633.62646	5.9
691.48700	7.1
845.47388	100.0
846.47736	18.6
853.80060	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	845.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	37.5
59.89232	2.5
60.99176	11.1
61.98690	3.4
66.09415	2.7
66.61930	2.6
69.03310	2.9
71.01253	31.1
71.04877	2.9
71.58064	2.5
72.99178	7.4
73.02808	6.1
75.00755	5.0
83.01234	3.1
83.04939	2.8
85.02831	8.4
85.38868	2.3
87.00764	8.0
87.02136	2.3
88.98683	67.8
89.02322	23.4
95.01286	2.9
97.02814	5.1
99.00758	3.3
101.02345	18.4
109.06490	3.0
113.02333	9.8
119.03426	6.4
121.35995	2.6
125.02358	13.0
140.58783	2.7
158.68707	2.8
169.01402	2.7
171.10175	47.3
179.05496	7.1
195.13937	3.8
209.11763	10.2
211.13402	3.5
221.06630	4.3
223.13318	5.8
239.16617	3.0
262.57578	2.5
275.20233	3.4
293.21265	53.5
325.25235	5.0
343.26526	3.6
359.25903	3.1
369.24442	6.4
379.12341	3.2
387.25516	15.1
397.13419	30.5
405.26459	28.1
415.14600	8.7
440.67429	2.4
785.39691	100.0
786.39917	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	845.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00986	1.2
59.01258	15.2
60.99172	1.4
61.98707	10.5
69.03351	1.0
71.01257	15.7
72.99184	2.6
73.02818	2.4
78.95787	0.9
83.01269	1.8
85.02826	3.6
87.00769	4.5
87.18766	0.7
88.98669	7.6
89.02320	13.4
91.03896	0.7
95.01251	1.5
95.48038	0.7
97.02843	3.4
99.00750	0.9
101.02309	10.2
113.02315	6.8
116.92713	0.9
119.03398	3.3
125.02352	7.4
125.09659	1.0
127.08192	0.7
127.11200	1.9
143.03374	1.4
143.84834	0.9
151.03955	0.8
161.04509	2.5
167.03418	1.0
169.01320	1.0
171.10184	83.0
172.10500	3.8
179.05508	3.4
195.13907	6.3
196.14406	1.0
202.92862	0.9
211.13345	1.5
221.06657	1.3
223.13353	5.2
228.13695	0.9
235.08160	5.5
253.09457	1.3
275.20148	5.4
287.07669	1.7
293.21225	100.0
294.21448	8.5
305.08701	2.0
317.21194	1.1
323.09918	1.2
337.86826	0.8
373.31808	0.8
379.12561	4.8
397.13507	35.9
398.13907	2.8
413.63550	0.9
415.14499	13.3
416.14948	0.8
569.24835	1.6
673.34546	0.9
785.39746	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	845.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	9.8
71.01250	8.7
71.57473	0.7
73.02822	0.9
73.94910	0.5
78.95791	0.9
83.01248	1.7
85.02816	5.9
87.51774	0.6
96.95906	1.6
97.02827	0.7
99.00759	3.8
101.02309	1.3
103.05426	0.6
109.02834	1.6
113.02328	12.1
121.02793	1.0
121.63883	0.6
125.02295	3.9
133.06491	5.6
134.06871	1.5
135.04398	0.9
141.01588	2.6
143.03421	2.1
144.62302	0.6
147.04425	1.1
148.05200	100.0
149.05481	3.9
153.01598	3.5
155.03392	1.8
161.24908	0.6
163.07552	91.1
164.07890	4.4
165.01595	1.7
167.03185	1.2
177.01677	0.7
183.02679	1.2
195.02687	1.8
197.36671	0.6
225.03761	22.4
226.04057	0.9
243.04913	3.8
245.07921	17.4
246.08177	0.9
257.07947	8.5
259.09558	2.1
269.02789	6.1
271.06119	1.4
271.09738	4.9
280.39798	0.6
287.08734	0.8
294.85675	0.6
297.82147	0.6
299.09073	0.9
329.10172	0.7
339.19211	0.6
341.10162	1.0
347.10944	2.3
349.14139	0.9
365.12079	0.9
384.34720	0.6
389.12180	1.7
391.10312	0.6
401.31812	0.7
409.10834	0.7
470.88895	0.6
520.30371	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	3.3
69.03330	1.2
71.01251	2.0
71.57840	1.1
72.31629	0.6
73.42890	0.6
81.03336	0.7
83.01270	1.7
87.10147	0.7
89.02317	1.6
92.95096	0.5
95.01285	0.7
95.04890	1.3
97.02840	2.7
101.02319	1.5
107.01256	1.5
109.02838	7.0
111.00783	1.1
113.02363	1.2
121.02831	1.1
123.00768	1.1
123.04398	2.7
125.02337	59.7
126.02680	1.7
135.04384	0.8
137.02348	7.4
139.03888	0.7
140.01042	0.7
145.02849	1.6
147.04413	1.0
149.02348	2.2
150.03047	0.8
151.03934	4.0
157.06593	0.6
159.04420	0.8
161.05968	1.2
165.01816	2.0
166.99759	1.8
168.00597	1.1
169.01335	100.0
170.01688	2.6
179.03458	1.8
185.12334	0.6
187.03949	1.9
188.04710	1.7
191.03450	1.2
193.01347	4.1
202.06371	0.9
203.07062	4.2
205.04987	2.3
221.08025	1.7
227.07008	0.8
245.08224	7.2
253.04919	1.0
259.06186	0.7
271.06137	5.5
272.06476	0.8
287.05905	0.7
289.07193	39.6
290.07562	2.0
303.05057	2.9
330.13339	0.7
331.04584	1.7
331.13724	1.0
332.04434	0.7
441.08246	54.2
441.17255	6.9
442.08771	5.1
496.51099	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	12.2
61.11559	0.9
69.22861	4.5
69.23285	5.9
71.01249	9.2
72.99181	17.1
84.06871	0.8
85.02827	3.0
89.02341	4.3
95.01230	1.1
96.95919	1.1
99.00741	1.0
101.02326	2.7
113.02322	3.2
117.03389	1.0
119.04913	100.0
120.05235	3.5
123.04360	1.1
125.02303	4.6
131.03383	1.1
135.11713	1.4
137.02361	1.1
141.88322	0.9
144.63437	1.0
145.02844	3.9
161.05856	1.1
161.09581	1.1
163.03917	60.3
164.04274	1.7
167.03404	2.0
169.01302	1.4
177.01840	1.3
179.10704	8.0
219.06544	1.3
223.09674	4.5
289.07321	1.4
307.08347	0.9
403.15558	1.0
439.12463	12.0
440.12817	1.1
454.62155	1.1
457.13513	13.7
486.14075	1.6
619.23975	15.6
620.23932	1.8
626.16003	1.1
663.23004	29.2
664.23010	3.6
843.29187	20.3
844.29248	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	843.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	22.4
61.98707	1.1
67.01740	0.9
68.99702	1.4
69.03304	1.4
69.45341	1.0
71.01258	40.6
71.01662	1.9
71.23992	1.5
71.24338	1.1
72.99188	8.6
73.02821	6.4
73.71912	0.8
75.00749	32.7
76.01122	0.9
78.95789	1.6
79.95619	2.4
83.01260	4.7
84.02034	1.2
85.02830	37.7
85.03355	1.9
86.03146	0.9
87.00751	11.7
89.02323	9.9
93.03278	1.0
95.01266	5.9
96.95892	77.5
97.02830	1.2
98.20180	1.5
99.00163	1.1
99.00762	13.4
101.02329	10.2
102.00108	0.8
103.00255	1.6
108.02085	0.8
109.02812	2.1
111.00781	2.9
112.01563	0.8
113.02336	32.1
115.00261	3.8
117.01842	2.4
119.03401	2.0
119.04871	1.7
125.02342	11.2
125.32519	0.8
129.01848	2.3
131.03456	0.9
133.01326	1.1
133.67097	0.9
134.03609	1.3
135.04358	1.5
137.02328	3.3
141.01897	0.9
150.03111	1.1
151.03896	1.2
152.01045	1.0
153.01909	0.9
157.12175	1.4
161.02324	2.6
161.04463	1.0
165.01819	1.6
165.05528	1.0
167.03494	1.4
169.01335	3.6
173.04398	1.0
175.02449	2.0
175.03923	1.9
177.01840	3.7
178.91585	0.9
195.06544	1.2
196.75322	0.9
214.38725	1.0
269.04642	1.1
285.04050	3.8
343.28882	1.0
603.58905	1.1
838.11646	0.9
843.42273	100.0
844.42627	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	841.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
62.53853	0.2
71.01235	0.3
73.02821	1.8
75.00735	0.3
78.95743	0.3
79.17815	0.2
83.70863	0.2
87.00729	0.2
96.95889	0.4
99.00754	0.9
99.92460	11.0
100.92457	0.5
114.93298	0.9
116.92744	100.0
116.97112	1.9
117.01814	3.7
117.92743	3.9
131.32611	0.3
136.05096	0.2
151.43726	0.2
151.85886	0.2
209.11816	0.5
229.39078	0.3
263.19476	0.2
314.41818	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	0.3
71.58572	0.2
73.02827	2.1
75.00768	0.4
78.95789	0.6
96.95889	0.6
99.00741	1.2
99.92467	10.7
100.92459	0.3
107.38377	0.2
114.93314	0.7
116.92748	100.0
116.97112	2.1
117.01825	4.3
117.92012	0.4
117.92770	4.2
125.02353	0.2
152.99501	0.3
193.23146	0.2
207.89084	0.2
209.11736	0.4
209.26115	0.2
277.21542	0.4
422.68161	0.2
648.04108	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	15.6
69.41527	82.9
71.01241	31.3
85.02828	20.3
87.00757	10.5
91.01279	8.5
96.95885	15.6
101.02328	9.3
116.92749	38.7
121.02859	19.3
125.02317	54.7
137.02351	10.5
149.04454	8.0
163.11095	8.4
165.01767	13.4
169.01317	21.3
171.10156	15.8
177.01930	11.3
209.11739	100.0
210.12369	9.0
211.13287	15.2
227.12819	29.0
231.10188	12.1
235.08195	19.5
249.11151	11.7
253.09212	37.8
309.20569	15.9
327.21722	96.9
445.20557	18.4
498.60922	9.2
563.30957	14.5
732.72858	10.8
841.42957	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	839.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.5
61.98698	0.9
67.01763	0.8
69.03333	0.6
69.55065	0.3
71.01257	1.3
83.04898	0.4
85.02843	0.4
89.02318	0.3
93.06979	0.4
94.03428	0.3
95.04923	0.5
96.95907	0.7
97.06466	1.1
98.98269	0.4
101.02318	0.5
109.06580	0.4
111.08034	2.2
113.02299	0.3
113.78648	0.3
121.10133	4.3
123.08044	0.6
125.02345	1.3
125.09624	4.4
137.09613	3.1
141.12779	0.6
161.04506	0.5
167.10690	0.5
167.14336	0.8
169.01358	0.8
171.10182	12.1
177.12776	0.7
179.10725	0.8
185.10202	0.5
185.11769	8.0
195.13841	3.0
197.11797	2.1
207.10170	0.5
209.11842	1.9
211.13339	42.9
212.13725	2.3
223.13394	0.9
247.20700	1.3
253.09259	5.9
273.18594	1.2
275.20224	1.0
289.18182	1.0
290.18546	1.1
291.19672	100.0
292.20026	7.7
293.21228	13.7
294.21573	1.5
309.20724	11.7
310.21051	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.5165
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	6.4
59.14375	0.4
59.66172	0.4
69.03326	1.4
71.01254	6.3
73.02821	0.7
78.95799	0.6
81.03364	0.6
83.01244	1.0
83.04867	0.7
85.02827	4.9
87.00761	1.0
89.02316	4.5
95.01250	0.5
95.04939	0.5
96.65723	0.4
96.95898	1.4
97.02832	1.0
97.06460	2.5
101.02335	5.5
113.02352	2.9
118.86779	0.5
119.03422	1.6
123.07982	0.9
125.09622	1.4
127.11169	0.6
137.09612	1.5
143.03438	0.7
155.10704	1.2
155.14418	0.5
161.04485	2.4
165.12685	0.9
171.10205	12.5
175.11331	0.5
177.12758	1.0
179.05508	0.9
179.14363	0.9
181.12247	0.8
183.13838	2.4
185.11792	1.0
190.75624	0.5
191.52142	0.5
193.12297	1.0
195.13849	6.5
196.14426	0.6
197.11705	0.6
201.11223	0.7
205.12219	0.7
209.11810	1.1
211.13353	15.9
212.13661	0.7
221.11772	2.2
223.13348	6.0
224.13675	0.5
225.28375	0.5
229.14418	11.0
229.26685	0.5
230.14964	0.6
235.08229	5.9
239.12888	2.2
247.20691	0.8
253.09296	30.2
254.09547	1.7
275.20184	5.7
291.19766	4.2
293.21249	100.0
294.21564	7.8
294.98590	0.5
309.20673	6.7
318.04483	0.5
327.21774	74.7
328.22131	5.9
451.92267	0.5
456.79767	0.5
529.30469	0.7
545.29602	1.1
563.30908	3.7
603.42603	3.9
648.71173	0.5
662.10663	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	7.0
69.30630	1.5
69.31053	3.6
69.63760	0.5
71.01256	13.3
72.99189	3.6
73.02827	2.9
75.00751	19.4
81.03324	0.6
83.01263	2.2
84.02039	0.7
85.02827	29.5
86.03148	0.5
87.00753	4.9
89.02310	1.8
95.01265	2.2
99.00766	6.0
101.02316	4.9
111.00790	0.9
112.01527	0.7
113.02333	19.7
115.00278	1.3
117.01797	1.2
125.02357	1.6
129.01788	1.3
139.18315	0.5
147.02887	1.6
147.49390	0.5
157.01314	0.7
161.04446	1.2
165.09163	0.9
175.02391	0.9
177.01794	1.2
191.01942	4.0
209.02971	1.1
209.08148	2.9
215.78009	0.5
221.46339	0.4
226.25972	0.6
235.95107	0.5
251.09348	0.5
289.07114	0.7
291.18280	1.3
467.21344	100.0
468.21701	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	839.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01601	0.8
60.91486	0.5
61.10134	0.4
61.24613	0.4
71.01248	13.5
73.02821	4.7
83.01271	1.8
85.02830	5.7
89.02329	2.0
94.64040	0.5
95.01279	0.9
96.95937	0.5
98.19756	1.0
98.20443	1.9
99.00780	1.9
101.02316	7.4
113.02319	3.9
119.03447	0.6
125.02364	0.9
143.03427	0.6
150.03114	0.6
155.59102	0.5
159.02968	1.2
161.04451	4.2
165.01886	1.6
165.05544	1.7
180.04245	0.9
195.06583	2.1
199.77174	0.5
225.07645	1.3
229.38574	0.7
239.85587	0.4
305.19678	1.5
315.18118	10.5
357.19296	2.8
437.23825	7.1
689.61108	0.5
839.45129	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	4.3
62.03420	0.9
63.02246	1.1
65.00191	1.0
71.01263	1.6
71.60251	1.2
72.95937	0.9
74.37534	0.8
83.01257	1.0
85.02818	1.4
87.00761	1.1
101.02346	1.3
107.01289	2.7
109.02841	2.2
121.02836	1.4
125.02330	6.2
138.61633	1.1
151.00298	9.8
160.16003	1.0
161.02357	1.2
163.00266	2.2
163.03889	1.2
164.01109	1.3
169.01309	2.7
177.01764	1.7
178.99780	5.3
201.05562	1.3
211.03995	1.5
227.03378	2.3
227.66298	0.8
229.04996	1.3
243.02945	7.3
245.04552	1.6
255.03008	15.4
271.02469	29.8
272.02985	2.3
273.03970	1.3
283.02386	1.7
300.02747	59.3
301.03503	45.7
301.06955	2.1
302.03882	2.9
447.09335	100.0
448.09753	9.6
494.02887	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	8.1
61.98690	5.2
70.96339	8.4
71.01266	6.2
72.41454	2.8
77.48737	3.0
81.64937	3.3
89.02363	2.8
93.03353	5.3
96.95847	4.4
113.02328	3.4
122.03625	18.8
125.02353	9.7
136.01584	9.0
137.02362	28.6
138.03127	4.2
149.02365	26.4
150.03133	71.8
151.00349	8.4
151.03918	21.1
153.05469	6.7
164.04724	8.1
165.01843	93.4
165.05495	69.7
166.02663	20.0
177.01852	6.0
179.03429	20.2
179.07076	7.2
180.04219	52.0
181.04993	33.6
191.03406	6.0
192.04144	5.5
195.06575	100.0
205.05051	5.0
207.06529	30.2
209.08275	8.1
210.05278	9.0
223.06123	12.5
225.07666	40.4
350.01563	3.6
373.12784	4.3
387.10687	3.7
417.15598	18.7
500.26279	3.4
500.47552	3.5
538.26990	4.2
542.55542	3.2
564.19263	3.5
565.21173	16.7
595.21558	15.4
613.22290	4.7
743.26556	6.8
782.30359	3.2
839.31049	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	839.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	8.1
61.98690	5.2
70.96339	8.4
71.01266	6.2
72.41454	2.8
77.48737	3.0
81.64937	3.3
89.02363	2.8
93.03353	5.3
96.95847	4.4
113.02328	3.4
122.03625	18.8
125.02353	9.7
136.01584	9.0
137.02362	28.6
138.03127	4.2
149.02365	26.4
150.03133	71.8
151.00349	8.4
151.03918	21.1
153.05469	6.7
164.04724	8.1
165.01843	93.4
165.05495	69.7
166.02663	20.0
177.01852	6.0
179.03429	20.2
179.07076	7.2
180.04219	52.0
181.04993	33.6
191.03406	6.0
192.04144	5.5
195.06575	100.0
205.05051	5.0
207.06529	30.2
209.08275	8.1
210.05278	9.0
223.06123	12.5
225.07666	40.4
350.01563	3.6
373.12784	4.3
387.10687	3.7
417.15598	18.7
500.26279	3.4
500.47552	3.5
538.26990	4.2
542.55542	3.2
564.19263	3.5
565.21173	16.7
595.21558	15.4
613.22290	4.7
743.26556	6.8
782.30359	3.2
839.31049	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	837.5375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	3.1
61.17517	0.7
61.98710	1.1
67.01767	0.7
69.03333	3.2
71.01259	3.4
78.95800	0.9
79.52094	0.6
80.34164	0.6
83.04900	1.7
87.00750	0.9
89.02325	1.4
93.03336	0.8
95.04897	1.4
96.95919	3.1
97.06503	1.3
101.02322	2.1
111.08031	3.6
113.02365	1.7
119.08558	6.9
121.10094	1.8
124.68414	0.7
125.02341	0.7
125.09621	2.4
127.11152	0.8
135.08102	1.0
137.09627	12.1
149.09627	0.8
151.11205	2.7
155.10629	0.9
161.04446	1.3
163.11218	0.8
169.12273	0.7
171.08752	1.3
171.10194	24.3
177.12814	4.0
185.11810	2.0
195.13956	0.9
197.11798	10.3
198.12099	0.8
199.13399	0.8
208.34610	0.6
209.11693	1.9
211.13354	13.7
221.11656	0.6
229.19574	2.2
230.37082	0.7
235.08203	1.0
247.20641	1.1
251.16512	0.8
253.09262	10.7
263.20139	1.0
273.18622	7.4
277.21725	27.8
278.22089	2.1
279.23560	0.7
289.18097	2.0
290.18558	1.0
291.19666	26.2
292.20044	2.1
293.21252	2.7
305.21198	9.4
309.20709	23.5
309.24280	1.2
310.21103	2.1
323.22266	100.0
324.22610	7.7
394.07693	0.6
433.78024	0.7
527.28314	1.1
685.20465	0.7
856.37781	0.7
874.61023	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	4.9
61.98698	0.5
69.03329	1.5
70.20268	1.3
71.01256	4.2
73.02827	1.0
78.95773	0.3
79.05357	0.3
80.02556	0.3
81.03329	0.5
83.01227	0.4
83.04931	0.6
85.02836	1.2
87.00770	0.7
89.02326	3.1
94.14410	0.3
95.01260	0.3
96.95901	1.6
96.96838	0.4
97.02819	2.6
97.06483	0.5
99.00758	0.5
101.02320	5.5
109.06438	0.7
111.08038	12.7
112.08395	0.5
113.02322	2.7
119.03400	1.3
125.02317	0.9
125.09649	0.9
127.07557	0.7
127.11198	0.3
137.09601	1.1
142.75288	0.3
143.03415	0.5
148.83058	0.3
151.11186	1.1
153.09163	0.6
153.12741	1.6
161.04462	2.2
163.11189	0.8
165.12759	1.3
166.95100	0.3
167.10728	0.5
169.01329	0.4
169.12260	5.9
171.10167	2.2
177.12680	0.5
179.05571	0.7
179.10666	0.5
179.14342	0.5
181.12251	1.5
183.13852	1.2
193.12241	0.8
197.11766	64.3
198.12125	3.2
199.13327	3.8
209.11781	1.3
211.13333	10.6
212.13632	0.3
214.50000	0.3
227.12817	3.6
235.08177	2.7
247.20619	1.4
253.09258	21.1
254.09612	0.9
263.20081	2.9
265.18219	2.1
273.18509	1.2
277.21655	0.4
291.19653	34.4
292.20010	2.9
293.21313	0.9
309.20700	100.0
310.21060	8.1
433.20963	0.6
527.28534	0.5
531.94196	0.3
545.29803	2.2
546.30139	0.4
566.46985	0.3
577.26831	0.4
601.41223	1.3
638.87408	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	6.3
61.98692	2.5
69.03314	1.4
71.01253	4.8
71.04890	3.0
73.02827	1.1
78.95773	1.7
79.95634	0.6
83.01261	0.7
83.04917	1.3
85.02834	1.9
85.06467	2.3
87.00736	0.8
89.02315	3.8
95.01219	0.6
95.04895	1.4
96.95888	22.0
97.02832	1.8
97.06485	1.3
101.02322	4.9
109.06442	2.8
111.04421	1.2
111.08034	1.9
113.02311	1.9
119.03397	1.2
125.02337	0.8
161.04451	2.5
169.12125	0.8
171.10176	5.0
179.14316	1.9
181.12128	0.9
183.13786	1.0
188.64452	0.7
195.13832	12.3
196.14131	0.6
197.11765	4.5
205.12303	1.0
209.11765	0.8
211.13365	2.3
221.15436	9.2
223.13405	5.5
224.68617	0.7
229.19412	0.7
233.15439	1.5
235.08150	2.0
235.16925	0.9
239.16414	2.7
247.20668	1.7
251.16524	2.5
253.09267	23.5
254.09642	0.8
273.18665	2.2
289.18057	1.0
291.19662	38.8
292.20169	3.0
293.21228	2.6
309.20703	100.0
310.21033	8.1
314.09894	0.6
327.21674	2.6
482.65421	0.7
501.16974	0.9
545.29614	2.5
601.41260	1.2
602.40625	0.8
604.43829	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00455	2.2
59.01251	54.9
61.98696	0.9
69.03317	3.9
71.01254	60.4
71.15585	1.7
72.01591	1.1
72.99161	5.9
73.02821	11.2
75.00722	1.2
75.71680	0.9
78.06052	0.8
78.95768	2.8
81.03339	2.1
83.01257	7.4
85.02821	13.6
85.99960	0.9
87.00742	16.1
89.02313	43.1
95.01258	4.5
96.95890	4.9
97.02834	6.9
98.20097	1.3
99.00773	3.1
101.02322	46.9
113.02333	27.8
113.91830	0.9
119.03393	10.2
121.02864	1.1
125.02345	19.0
131.03394	6.5
133.04982	1.2
139.00284	0.9
143.03412	7.2
149.04440	1.7
152.99486	1.0
161.04460	17.3
167.03270	0.9
179.05542	15.4
203.05516	1.8
221.06628	7.8
235.08205	6.9
253.09315	11.2
263.07669	3.1
277.21729	33.6
278.22202	1.6
287.07852	1.1
305.08685	2.5
323.09689	5.7
333.80896	1.0
379.12451	2.2
383.11880	2.4
384.19040	1.1
397.13513	54.7
398.13800	3.2
415.14532	21.9
416.14786	1.2
439.88483	1.0
485.15146	2.0
512.42780	1.1
559.18762	100.0
560.19232	7.3
577.19806	35.2
578.20563	2.3
806.58978	1.0
837.41388	3.3
841.96210	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5009
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	6.1
65.08724	0.4
69.03332	1.1
69.89844	0.4
70.92429	1.0
71.01253	4.8
73.02824	1.1
78.89974	0.4
79.98958	0.4
83.01270	0.8
83.04907	1.1
84.07662	0.4
85.02834	1.4
87.00762	0.8
89.02328	3.7
91.05870	0.4
96.95919	0.8
97.02851	0.9
101.02324	4.7
103.03848	0.4
109.06477	1.1
109.52372	0.4
111.08044	13.1
111.08803	0.9
113.02324	2.7
118.30704	0.4
119.03404	1.2
125.09610	0.8
127.07578	1.1
134.89690	0.4
137.09598	0.5
151.11203	1.2
153.12779	1.2
161.04483	2.5
165.12865	0.9
169.12247	5.7
171.10217	0.8
179.05519	0.8
179.10696	0.5
181.12297	2.4
183.13811	1.3
193.12224	0.8
197.11778	67.2
198.12151	4.0
198.76523	0.4
199.13377	4.2
209.11827	0.7
211.13339	9.9
212.13564	0.5
227.12820	1.8
235.08179	2.4
247.16904	0.5
247.20691	1.2
253.09261	20.7
254.09604	0.9
262.96713	0.5
263.20187	4.2
265.18161	1.4
273.18607	1.6
291.19669	25.7
292.20120	2.2
309.20709	100.0
310.21051	8.9
433.21051	0.5
545.29572	2.4
546.29449	0.5
554.91791	0.4
601.41174	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	837.4825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.69970	0.6
63.13540	0.7
63.96099	2.5
69.95494	0.6
71.01255	9.7
73.02821	1.7
78.98467	8.8
79.95121	0.7
79.95609	18.2
80.96391	100.0
81.03337	1.0
84.21743	0.7
85.02824	4.6
85.94645	0.7
87.00745	3.2
94.97961	23.2
96.95901	1.9
97.02819	1.9
101.02321	3.4
106.64462	0.6
106.97966	3.1
117.41536	0.6
117.52901	0.6
122.97451	4.8
125.02314	2.7
127.03947	0.9
132.12291	0.8
134.97482	7.1
136.99074	1.6
148.99037	7.8
152.98534	7.0
160.27684	0.6
163.33159	0.7
164.98537	13.3
177.02023	0.8
188.98618	0.8
189.70404	0.6
206.15292	0.6
206.99533	2.0
225.00703	14.0
277.21725	2.4
559.25653	2.2
658.77777	0.7
777.45483	0.7
837.48260	87.3
838.48505	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	837.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96115	1.8
66.59554	1.6
70.00193	6.1
70.00613	3.7
71.01254	8.6
78.24262	1.4
78.98463	9.8
79.95602	16.4
80.96393	90.0
81.16073	1.8
82.73334	1.7
85.02812	4.7
87.00742	4.6
94.97971	18.7
96.95869	1.6
97.02849	1.7
101.02309	3.2
106.97965	3.1
122.97443	5.9
125.02327	4.6
134.97488	4.7
148.99042	7.8
152.98518	7.0
164.98560	16.1
206.99535	4.0
225.00734	18.8
230.96628	1.7
231.30411	1.7
350.94595	1.7
467.25024	1.7
588.95734	2.0
630.26025	1.9
837.48297	100.0
838.48676	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	837.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	9.3
68.99680	20.9
69.49899	23.7
69.88733	2.6
71.01254	7.2
78.95774	3.2
80.99967	2.6
95.01241	4.7
96.95871	8.3
97.79470	2.8
98.19807	6.7
101.02302	4.6
105.03323	3.2
109.02804	6.7
114.97945	3.6
121.02784	5.8
122.03654	7.1
123.00791	11.9
125.02320	11.7
136.01523	3.5
137.02353	9.4
138.03099	31.8
139.03896	6.2
149.02354	18.6
149.06032	3.4
150.03127	44.4
151.00203	4.5
151.03870	6.2
153.01836	14.2
153.05472	40.6
165.01826	11.7
165.05521	31.2
166.02589	6.2
168.04205	35.7
175.00287	12.4
176.01080	29.3
177.01863	25.9
178.02602	13.3
179.07036	17.9
180.04172	5.7
181.04909	6.7
191.03404	26.9
192.04227	40.6
193.01363	29.6
193.04988	20.6
195.06534	18.7
203.57619	3.0
207.06592	45.9
208.03719	37.1
209.04369	4.9
223.06073	100.0
224.06477	5.2
302.50259	3.4
412.48553	3.2
417.15234	4.9
545.33630	5.4
565.20697	3.7
640.21796	16.7
641.22144	10.8
727.21979	3.7
837.29877	28.0
838.29950	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	835.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	6.5
61.98705	5.8
69.03320	1.1
70.22117	0.5
71.01251	4.3
71.04889	1.4
73.02836	1.1
78.95776	0.6
81.03340	1.0
82.95304	5.0
83.04899	1.5
85.02827	1.0
87.00755	0.9
89.02309	3.0
93.03362	0.5
95.01275	0.7
95.04895	1.5
96.95890	2.7
97.02836	1.0
101.02332	3.7
109.06475	7.1
111.04403	2.6
111.08049	6.0
113.02381	2.4
119.03422	1.1
121.06503	0.6
123.08048	1.2
123.13071	0.5
125.02367	1.1
125.09642	0.7
127.07552	1.4
132.09067	0.5
135.08046	1.1
137.09615	0.9
142.48105	0.5
143.10648	0.7
145.06503	1.2
149.09615	1.5
151.11134	0.5
161.04472	1.7
163.11237	0.7
165.12787	1.0
167.10715	1.8
169.01425	0.6
169.12263	2.1
169.20049	0.6
171.10168	1.6
177.12767	0.6
179.10701	1.2
181.12312	0.8
182.75015	0.5
183.13818	0.7
191.14291	0.7
195.13824	2.0
197.11774	29.3
198.12074	0.9
199.13332	1.6
207.10220	0.7
209.11737	1.3
211.13335	4.7
223.13213	0.6
227.12889	1.5
227.17934	0.6
235.05931	0.7
235.08176	3.3
245.19124	3.9
247.20663	1.0
251.16306	0.9
253.09264	16.2
263.20120	1.9
265.18039	0.9
271.16931	0.6
273.18414	0.7
277.21707	0.7
279.23148	0.7
287.16577	2.1
289.18097	100.0
290.18442	6.7
291.19669	16.0
292.19931	1.2
293.21307	2.6
307.19229	5.1
309.20709	42.1
310.21057	2.9
358.06155	0.5
491.36340	0.5
525.27063	2.3
778.31927	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	6.2
61.98412	0.6
61.98705	5.3
69.03334	1.2
70.17747	0.4
71.01257	4.9
71.04885	1.5
71.50349	0.7
72.99156	0.5
73.02821	1.1
74.54099	0.5
77.58695	0.4
78.95794	0.9
81.03339	0.8
82.95287	4.9
83.04906	1.1
85.02834	1.2
87.00760	1.0
89.02325	2.9
95.04897	1.3
96.95885	2.9
97.02840	1.6
98.03627	0.7
99.69926	0.4
101.02311	4.4
106.04118	1.0
107.04892	0.5
109.06476	8.8
111.04404	2.3
111.08036	6.8
113.02307	1.9
119.03400	1.0
121.06532	0.8
123.04404	0.5
123.08073	1.3
125.02349	0.8
127.07526	1.7
135.08086	0.7
137.09644	1.3
143.10669	0.7
145.06494	1.1
146.43768	0.5
147.00418	0.4
149.09546	0.8
151.11182	1.5
153.12744	0.6
161.04462	1.6
163.11177	1.0
165.12825	0.7
167.10701	1.6
169.12225	2.8
171.10153	2.0
177.12904	0.6
179.05473	0.5
179.10756	0.7
181.12302	0.8
183.13832	0.6
193.12241	0.7
195.13814	2.5
197.11766	33.5
198.12053	1.6
199.13326	1.8
209.11797	1.0
211.13377	5.1
223.13368	0.9
227.12794	1.6
235.08162	3.5
235.13321	0.8
245.19133	4.7
247.20517	0.7
249.14748	0.6
253.09262	14.2
263.20132	1.8
265.18057	0.8
271.16986	1.0
273.18497	1.0
279.23190	0.7
287.16492	2.1
289.18100	100.0
290.18439	6.7
291.19656	15.4
292.20044	1.6
293.21265	1.7
307.19098	5.1
309.20718	42.7
310.21042	3.1
372.66489	0.6
433.21033	0.5
515.34210	0.5
525.27393	2.5
545.29169	0.7
757.48969	0.6
787.91888	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	16.7
71.01261	11.1
71.57510	1.3
72.99177	7.5
73.02811	3.7
83.01273	1.8
85.02814	4.3
87.00751	1.6
89.02316	4.7
89.03797	1.8
95.01234	1.3
96.95882	5.1
97.02879	1.8
99.00752	5.2
101.02328	5.5
111.00771	1.9
113.02364	5.8
117.03322	2.6
117.07189	1.1
121.02883	1.3
125.02327	3.6
131.36549	1.2
132.02060	5.0
133.02858	2.9
134.03632	69.6
135.04341	5.1
137.02318	6.8
139.03928	2.0
139.19864	1.3
145.12793	1.2
149.05968	13.1
150.03078	2.1
160.01563	20.4
161.02359	6.4
161.48590	1.3
168.04088	1.2
173.40584	1.4
175.03923	27.1
177.01891	1.5
178.02655	18.3
179.03462	8.1
193.04987	100.0
194.05244	2.2
207.06482	1.5
223.06084	2.6
237.14915	1.9
263.12842	1.7
316.62027	1.3
516.53296	1.3
557.22437	2.0
599.23566	10.3
617.24371	10.3
793.29248	23.7
794.29504	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	835.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	19.2
61.98693	4.0
62.00782	0.8
68.22561	0.8
69.03316	3.6
71.01254	14.8
72.99175	1.1
73.02823	2.8
75.00762	1.1
78.95775	2.3
79.95605	1.3
80.02543	1.1
80.96390	1.2
81.03327	1.4
83.01237	3.0
83.04898	3.0
85.02820	4.2
87.00739	2.4
87.85081	0.8
89.02316	8.3
95.01253	1.8
95.04895	2.0
96.95884	3.3
97.02830	3.1
97.06468	6.7
98.20563	2.5
99.00748	1.7
101.02319	10.5
104.48190	0.7
104.96735	1.0
109.06466	2.4
111.08041	15.9
113.02323	6.7
119.03385	2.2
119.08556	1.1
121.06482	1.3
123.04384	3.1
123.08039	1.4
125.02344	2.1
125.09601	6.4
126.05986	0.8
127.07513	2.3
131.82669	1.1
135.07994	0.9
137.09596	2.4
141.65460	0.7
143.03363	1.2
145.04901	1.3
151.11188	3.7
153.09151	1.0
153.12723	1.9
155.10767	1.0
161.04483	4.2
163.11197	7.2
165.12764	4.4
167.10616	1.6
169.12276	7.8
171.10162	2.1
175.11165	1.0
177.12708	1.6
178.68648	0.9
179.05560	1.4
179.10649	3.0
181.12286	5.4
183.13852	1.1
185.11751	7.2
191.10727	1.2
191.14328	7.6
193.12195	1.2
197.11763	89.8
198.12097	3.8
199.13329	5.3
200.43462	0.9
207.10164	3.8
209.11778	23.3
210.12128	1.3
211.13316	13.0
217.15874	1.4
221.11786	1.1
225.11269	2.6
227.12848	7.1
235.08189	7.7
237.11302	7.0
241.01164	0.9
245.19073	14.6
247.20541	1.1
253.09256	40.4
261.18555	1.0
263.20151	13.3
265.18011	2.5
271.17078	3.0
273.18634	1.9
277.21719	19.3
279.20029	1.2
279.23288	24.6
280.23355	0.9
289.18094	81.9
290.18213	4.7
291.19666	31.5
292.20151	1.9
293.21280	2.1
307.19150	80.6
308.19461	5.8
309.20709	100.0
310.20984	7.0
397.13300	1.2
445.20804	2.1
479.05829	0.8
525.27057	2.6
543.28302	3.5
581.37927	1.2
737.41156	1.4
763.40466	1.0
835.44458	4.6
836.48676	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00474	0.7
59.01253	9.1
68.41680	0.2
69.03329	0.6
70.89179	0.8
71.01257	8.0
71.94624	0.2
72.99169	0.6
73.02823	1.4
80.02540	1.2
81.03332	1.7
83.01258	0.8
83.04898	5.3
84.02039	0.8
85.02814	2.0
87.00744	2.1
89.02319	6.7
93.03330	0.4
93.72836	0.2
95.01273	0.8
95.04901	0.9
97.02827	1.2
98.14194	0.2
99.00764	0.3
101.02325	6.2
109.02851	0.3
109.06471	0.3
113.02328	3.6
119.03397	2.1
123.07986	0.3
124.01649	0.2
125.02340	3.1
125.05955	0.4
125.09647	0.5
131.03383	0.3
135.08043	0.9
137.02315	0.2
143.03432	1.2
161.04471	2.0
163.11212	4.6
165.12781	2.5
167.03413	0.3
171.10196	1.0
179.05565	1.8
181.12280	0.7
185.04413	0.3
191.10710	0.8
197.11765	0.2
199.06082	0.3
199.13380	0.4
209.11771	100.0
210.12109	5.5
211.13348	0.2
221.06531	0.5
221.11859	0.3
223.13359	0.3
227.12846	13.8
228.13194	1.0
235.08226	2.2
247.13350	0.9
251.12921	0.3
253.09213	0.3
263.07693	0.3
270.10132	0.3
287.07819	0.6
305.08759	0.5
323.09875	0.5
379.12515	2.2
397.13522	18.3
398.13831	1.6
415.14569	5.4
416.15106	0.3
589.25311	0.3
607.26172	0.8
670.07892	0.2
799.38507	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00477	1.8
59.01254	26.7
61.98705	32.4
64.41380	1.1
66.69725	1.0
69.03342	2.5
70.09439	1.2
71.01256	100.0
71.04915	1.2
71.58794	1.3
72.99187	2.4
73.02820	7.9
75.69043	1.2
78.91754	1.4
79.95615	1.6
80.96416	1.7
83.01266	3.2
83.04906	4.2
85.02814	7.9
87.00749	6.1
89.02322	22.0
95.01252	2.3
95.04881	1.3
96.95897	1.5
97.02842	6.2
97.06467	1.9
99.00766	4.8
101.02330	18.8
103.65890	1.2
109.06490	6.2
113.02342	11.3
119.03408	5.3
125.02348	11.4
125.09626	3.1
127.11160	1.4
131.03413	1.5
135.08057	1.8
141.01854	1.5
143.03392	2.6
161.04439	3.1
161.09546	1.2
163.11235	9.4
165.12804	2.9
167.10735	1.2
169.01379	2.2
171.10220	11.8
179.05569	6.1
181.12222	3.7
183.13889	7.7
185.11786	2.6
193.12325	1.4
197.11583	1.2
199.13332	16.2
201.11264	12.5
207.10196	20.6
208.10513	1.9
209.11780	52.9
210.12114	2.7
211.13341	60.3
212.13654	2.6
215.12898	1.8
221.06586	3.4
225.11282	23.8
226.11755	1.1
227.12843	36.0
228.13089	2.3
229.14423	2.3
235.08215	5.0
235.13437	1.5
243.12419	2.7
245.13876	2.0
247.13374	1.8
253.09203	1.3
253.14438	2.1
286.97601	1.1
287.07541	1.8
379.12476	3.4
383.22296	1.9
391.24841	1.7
397.13452	29.6
398.14029	1.6
401.23227	3.9
409.45395	1.3
415.14694	7.7
419.24326	5.4
450.14227	1.3
605.23901	1.3
607.25769	1.6
623.25525	2.9
625.26923	4.1
799.37207	5.4
817.38727	8.4
818.39435	2.8
835.39661	13.3
836.40503	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	835.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00473	0.6
58.47486	0.2
59.01255	10.1
67.28895	0.2
69.03332	0.6
69.45094	1.6
71.01258	9.2
71.04907	0.3
72.99180	0.7
73.02826	1.4
75.00737	0.3
80.02557	1.1
81.02934	0.2
81.03339	2.0
83.01270	0.9
83.04900	5.2
84.02039	0.7
84.21135	0.2
85.02824	2.3
87.00758	2.1
89.02324	7.6
91.03919	0.2
93.03335	0.3
95.01244	0.7
95.04904	1.0
96.95870	0.3
97.02830	1.5
97.06495	0.2
98.19819	0.3
99.00747	0.6
101.02325	6.3
109.02872	0.3
109.06466	0.5
111.00785	0.3
111.04433	0.3
113.02336	3.8
115.03789	0.2
119.03403	2.0
121.02869	0.3
123.00768	0.2
123.04375	0.2
123.08068	0.2
125.02349	3.7
125.05953	0.7
125.09593	0.4
127.11198	0.2
129.01822	0.2
131.03409	0.4
133.04987	0.3
135.04404	0.2
135.08058	0.9
137.02339	0.4
139.03923	0.3
139.07521	0.2
141.01793	0.2
143.03444	1.2
147.11661	0.2
149.02374	0.2
151.07568	0.2
152.71242	0.2
152.99487	0.3
161.04475	1.7
163.00250	0.2
163.11206	4.0
164.11488	0.3
165.09119	0.8
165.12779	2.6
167.03436	0.3
169.01347	0.4
171.10182	1.2
175.03986	0.2
177.01923	0.2
179.05562	1.9
181.04903	0.3
181.12288	0.6
185.04478	0.2
191.10704	1.5
199.13373	1.0
209.11778	100.0
210.08653	0.8
210.12126	5.5
211.08632	0.2
221.06625	0.9
221.11815	0.4
223.13423	0.4
227.12859	16.1
228.13219	0.9
233.08211	0.7
235.08199	2.4
247.13371	1.0
251.09106	0.2
251.12970	0.4
253.09354	0.7
265.14426	0.4
287.07758	0.6
300.02728	0.3
305.08893	0.8
323.09839	0.3
357.15576	0.6
371.13519	0.9
372.13968	0.6
379.12375	1.8
397.13504	17.9
398.13882	1.4
415.14597	5.8
416.14908	0.4
419.24234	0.3
463.08835	0.2
463.20569	0.2
607.26080	0.7
799.37787	0.7
817.38220	0.5
835.39246	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00464	0.6
59.01252	9.9
65.54318	0.3
68.00731	0.3
69.03309	0.8
70.35826	1.0
71.01254	7.6
72.99187	0.6
73.02814	1.2
80.02539	1.1
81.03339	1.5
83.01269	1.0
83.04890	5.1
84.02020	0.8
85.02824	2.3
87.00747	2.4
89.02315	7.1
93.55836	0.3
95.01250	0.6
95.04892	0.7
96.27820	0.3
96.95899	0.3
97.02808	1.2
99.00747	0.6
101.01694	0.4
101.02328	5.9
107.04926	0.3
109.02834	0.3
111.04391	0.3
111.08086	0.4
113.02340	3.4
119.03390	1.9
125.02342	3.4
125.05962	0.4
125.09603	0.4
126.19816	0.3
128.35637	0.2
131.03354	0.6
131.65498	0.3
133.05013	0.3
135.08052	0.7
139.03917	0.3
140.57294	0.2
141.01816	0.5
143.03400	1.5
147.11699	0.4
150.43633	0.3
161.04457	1.7
163.11180	4.6
165.12766	1.9
169.01524	0.3
171.10176	1.2
179.05550	1.9
181.12300	0.8
191.10684	1.1
199.06099	0.3
199.13307	0.6
209.11769	100.0
210.12115	5.6
221.06653	0.6
227.12843	16.2
228.13112	0.9
235.08217	2.5
247.13312	1.1
251.12903	0.4
251.79567	0.3
253.09261	0.6
263.07541	0.3
265.14404	0.4
287.07690	0.6
299.01990	0.3
305.08795	0.6
307.74658	0.3
323.09866	0.8
326.97452	0.3
357.83929	0.3
379.12604	1.8
397.13495	18.0
398.13724	1.3
415.14499	4.9
437.25241	0.3
484.61588	0.3
495.05695	0.3
607.26111	0.6
628.11005	0.3
799.37933	1.1
817.38763	0.3
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
58.88677	0.9
59.01250	100.0
60.95662	0.9
69.03316	1.1
71.01253	8.8
71.24959	2.5
73.02814	2.7
85.02814	4.0
89.02341	2.9
96.95895	1.1
99.00733	1.2
101.02316	4.6
113.02326	4.9
125.02325	13.7
128.78636	1.2
139.07567	1.6
144.89343	0.9
150.03075	1.3
161.04446	2.0
165.05496	1.5
169.01352	12.9
169.03482	1.0
183.02998	1.5
195.06645	1.1
209.08101	1.0
214.67934	1.0
313.16519	2.5
331.17578	4.4
373.18564	7.5
421.40524	1.1
445.09811	4.3
544.04437	1.0
587.22980	1.1
835.22272	1.4
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
58.88677	0.9
59.01250	100.0
60.95662	0.9
69.03316	1.1
71.01253	8.8
71.24959	2.5
73.02814	2.7
85.02814	4.0
89.02341	2.9
96.95895	1.1
99.00733	1.2
101.02316	4.6
113.02326	4.9
125.02325	13.7
128.78636	1.2
139.07567	1.6
144.89343	0.9
150.03075	1.3
161.04446	2.0
165.05496	1.5
169.01352	12.9
169.03482	1.0
183.02998	1.5
195.06645	1.1
209.08101	1.0
214.67934	1.0
313.16519	2.5
331.17578	4.4
373.18564	7.5
421.40524	1.1
445.09811	4.3
544.04437	1.0
587.22980	1.1
835.22272	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	46.3
67.09839	1.8
69.03324	5.5
71.01254	30.1
71.13702	5.3
72.99183	100.0
73.02820	8.4
83.01258	6.2
83.04899	3.6
85.02820	18.2
87.00756	2.8
89.02320	7.4
95.01300	2.1
96.95895	3.5
97.02844	3.0
99.00772	5.9
101.02335	11.8
104.15779	2.0
111.04426	11.9
113.02345	26.7
125.02321	7.0
129.14999	2.0
131.03407	2.5
134.03648	2.4
137.02332	4.3
137.09598	3.3
138.06786	3.1
147.08081	2.8
149.06033	2.1
153.09138	5.2
165.09062	3.2
185.13322	2.1
187.02678	2.1
193.04985	11.2
203.14394	10.7
207.06583	31.1
208.06911	3.3
247.13312	2.1
260.67776	2.1
265.14536	3.5
267.98767	2.2
409.18417	2.3
427.19638	2.6
451.20071	4.9
469.20782	27.8
497.22958	2.1
541.22882	3.0
572.81561	2.3
583.23889	70.8
584.24493	8.1
726.28284	2.5
748.57080	2.2
774.32104	2.3
782.49713	2.6
791.31256	53.4
792.31598	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	835.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	43.2
63.74836	2.0
69.03326	2.9
71.01250	36.8
71.58369	3.9
71.59413	2.2
72.99180	10.0
73.02827	19.3
81.03336	2.4
83.01263	6.7
85.02844	10.4
85.22057	2.1
87.00756	4.1
89.02307	16.4
96.95896	4.5
97.02828	6.1
99.00751	33.4
101.02328	12.5
109.02804	13.4
113.02339	16.3
117.03368	5.7
117.09254	2.2
123.04449	2.5
123.08008	3.0
124.05329	2.3
125.02323	7.2
131.03398	3.3
132.02055	6.2
133.02805	2.5
133.06491	7.3
134.03630	100.0
135.04138	4.2
137.02348	3.9
139.07561	3.2
143.03445	3.9
149.04515	4.2
149.06003	7.4
160.01564	17.9
161.04439	2.6
168.07816	3.0
169.01411	3.1
175.03903	18.7
178.02617	4.2
179.03391	3.9
187.11243	2.5
189.05556	10.2
191.05589	7.3
193.04991	82.5
194.05371	4.0
203.05493	3.0
205.12378	5.2
207.06561	2.5
213.05975	2.4
235.13286	2.9
241.07675	2.4
322.27155	2.4
505.19095	4.8
511.21533	3.9
553.23267	2.5
555.20593	3.1
597.21851	18.7
615.22949	77.5
616.23370	7.9
680.23029	5.6
681.23889	4.2
791.27625	47.1
792.28479	8.7
803.31610	3.9
846.49225	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	834.4482
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.2
61.98705	100.0
66.76643	0.2
70.33490	0.1
71.01259	0.6
71.80515	0.2
72.13360	0.1
72.48765	0.2
75.00754	0.3
76.07867	0.1
78.91776	0.2
78.95787	0.5
80.96401	0.3
83.01302	0.2
96.95898	0.4
98.20535	0.6
109.06475	0.3
122.46103	0.2
125.02354	0.4
156.99022	0.3
170.33629	0.2
171.10260	0.2
178.70917	0.2
209.11737	0.4
287.69818	0.2
289.18164	1.3
290.18503	0.6
291.65277	0.2
293.21451	0.2
453.09711	0.2
714.32050	0.2
747.04675	0.2
835.40906	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	3.8
67.01760	0.7
69.03335	0.5
70.91300	0.3
71.01257	2.9
72.99177	0.4
73.02831	0.6
79.01738	0.5
81.03349	0.5
83.01253	0.8
85.02321	0.3
85.02818	1.3
87.00732	0.4
89.02311	1.1
95.01262	1.2
97.02818	1.0
98.19995	1.7
101.02327	1.5
107.01276	5.1
109.02811	0.4
111.00746	1.5
113.02325	1.5
119.03325	0.4
121.02831	0.4
123.00777	7.0
123.04342	0.4
124.01576	0.8
125.02339	31.7
126.02678	0.6
127.00290	0.5
131.39636	0.3
136.16138	0.3
136.98680	1.1
139.00267	2.1
139.03896	0.6
140.01070	2.2
141.01831	1.3
143.03433	0.4
148.04060	0.7
148.05203	11.6
149.05891	1.1
150.99123	0.5
151.00273	6.4
151.07553	4.1
152.07944	0.4
153.01851	0.6
163.07536	3.6
167.03406	0.4
168.00537	3.0
169.01343	39.7
170.01645	0.8
178.99956	0.4
179.03392	0.6
183.02888	1.1
192.82404	0.3
195.06566	12.2
196.06905	0.8
207.06659	0.4
209.11780	5.5
211.02350	0.9
219.06604	2.9
223.02620	0.5
227.12845	0.9
229.52278	0.6
237.07660	0.9
241.03516	0.9
253.03430	0.8
297.06366	0.4
301.03485	1.3
313.05640	10.9
327.07050	0.6
357.11874	5.0
373.22516	0.4
391.23953	0.4
395.36166	0.3
397.13773	0.7
433.24564	0.7
477.14008	100.0
478.14343	9.2
602.65552	0.3
809.40576	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
61.98704	4.6
71.01252	13.6
71.57693	3.5
72.99169	3.7
75.00744	24.3
78.95765	23.1
89.02332	4.8
96.95887	10.6
96.96851	4.6
97.02796	3.0
101.02356	2.7
113.05948	2.9
116.92706	4.0
118.96487	4.2
125.02353	6.5
152.99486	4.5
156.99002	32.5
157.01147	8.9
167.94420	3.7
190.25732	2.8
241.01186	4.1
253.09348	3.0
255.23238	3.8
277.21732	19.6
279.23242	5.2
361.04495	4.1
391.85898	2.7
397.13525	34.0
398.13837	4.3
407.17310	6.5
415.14578	9.1
435.08102	12.7
453.09314	23.1
472.05573	3.6
713.30786	26.8
714.30817	5.4
833.52063	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	833.5423
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	15.0
64.99051	0.8
69.99233	2.2
69.99653	2.9
71.01259	1.2
71.25286	0.7
96.67489	1.0
101.02314	1.2
113.02341	1.1
142.56505	0.8
176.73645	0.8
233.22650	0.9
239.98491	0.9
243.44365	0.8
253.09189	5.1
272.63751	0.9
277.21719	100.0
278.22049	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	833.5636
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00467	0.3
59.01251	1.7
69.03315	1.2
71.01254	2.2
71.04871	0.3
72.99191	0.4
73.02831	0.4
80.02509	0.3
81.03331	0.5
83.01260	0.4
83.04916	1.1
84.02044	0.4
85.02824	6.4
87.00743	0.7
88.81550	0.2
89.02299	0.9
95.04919	0.8
95.77711	0.2
97.02828	1.4
97.06470	2.7
99.00761	0.8
101.02330	0.9
109.06476	0.8
110.03650	0.3
113.02319	0.7
119.03393	0.4
121.02844	0.3
123.08029	0.4
125.02335	1.5
125.09576	1.1
125.42154	0.2
127.11179	1.4
135.08034	0.5
137.02324	0.5
137.09639	1.5
150.03188	0.4
151.03983	0.3
155.10687	0.6
155.14307	0.5
161.02415	0.4
161.04433	0.3
163.11185	1.4
165.09106	0.2
165.12766	0.7
167.03409	0.3
167.14377	0.3
169.01361	0.4
171.10185	16.2
172.10545	0.6
175.02342	0.3
177.12764	0.7
181.12227	0.9
183.13853	2.5
185.11746	1.1
193.12317	0.7
195.06613	0.3
197.11842	0.6
201.11256	0.9
207.10196	2.8
209.11775	6.4
209.13756	0.4
210.12167	0.7
211.13338	14.6
212.13774	0.6
221.11792	2.7
225.11272	3.7
226.11629	0.4
227.12878	0.9
229.14413	10.1
230.14774	0.5
239.12891	1.8
240.12932	0.3
243.12445	0.6
247.20686	0.4
291.19623	2.2
292.20016	0.3
307.19055	0.3
309.20682	0.9
327.21759	100.0
328.22079	6.6
328.35742	0.2
392.71445	0.2
397.13422	1.0
415.14682	0.3
504.47067	0.3
505.33817	0.7
508.18091	0.2
596.67065	0.3
605.24500	0.4
623.25732	0.7
815.37177	1.0
816.36926	0.4
833.37677	1.2
834.38458	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5034
Annotation	Unknow
Peak:m/z	Relative Intensity
69.98067	3.2
78.61615	0.8
78.95778	61.7
82.48125	0.7
95.90800	0.9
96.96841	12.5
99.12291	0.8
152.99506	12.8
223.00066	3.7
240.98740	1.5
241.01166	23.2
255.23297	27.7
256.23602	1.9
259.02234	1.5
277.21695	18.8
278.22266	1.1
297.03964	1.6
336.52130	0.9
391.22522	10.7
392.22708	1.0
405.56793	0.8
409.23141	1.0
413.21045	2.1
475.47327	1.1
548.90778	1.0
553.27863	10.6
575.26001	2.4
698.08752	1.1
831.50305	100.0
832.50708	24.8
852.94580	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	6.2
70.63245	1.0
71.01248	4.2
71.59707	1.5
81.03339	4.8
83.01265	1.7
85.02819	2.6
89.02330	2.0
96.95867	1.5
99.08114	1.2
101.02354	1.6
102.17335	1.1
113.02322	3.0
119.02046	1.0
123.00816	1.3
123.08090	2.0
125.02365	8.9
125.05973	4.2
127.07506	1.2
136.05215	1.8
137.02359	1.8
139.05843	1.2
149.02335	1.8
151.00259	1.5
151.07515	1.3
152.99539	1.7
160.48302	1.2
165.01817	1.2
165.09132	34.7
169.01318	1.9
185.00838	1.3
191.07047	2.2
207.10191	3.1
209.08142	100.0
209.11688	3.8
210.08456	6.9
223.09732	2.8
225.11246	1.8
233.08168	29.5
234.08456	2.0
251.09131	9.2
257.04477	1.2
263.09271	3.7
285.04034	4.9
357.15500	2.4
371.13470	48.0
371.18188	2.3
372.13806	4.2
397.13232	1.5
461.07193	2.4
474.87271	1.3
537.60602	1.1
580.16693	1.4
663.85675	1.2
683.79034	1.3
767.15369	1.4
842.48798	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4933
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96114	1.5
71.01251	7.6
73.02823	1.8
73.40491	0.8
78.98466	7.7
79.95609	31.8
80.96391	76.6
81.03339	0.9
85.02810	3.1
87.00740	3.1
91.18472	0.8
94.97963	16.9
96.95903	1.3
97.02831	2.2
100.73228	0.7
101.02335	2.2
106.97984	4.0
113.02312	0.8
122.97485	3.5
125.02332	3.4
134.97464	6.4
148.99043	7.9
152.98566	5.9
164.98555	15.0
167.00095	0.9
192.89819	0.7
206.99574	4.3
225.00714	23.7
241.00342	1.5
255.23192	2.0
283.04910	2.4
314.17493	0.8
341.05508	1.6
355.07092	1.5
397.11829	0.8
407.42310	0.8
479.20566	0.8
497.16797	0.8
537.27136	1.9
569.20630	0.8
575.25397	1.8
651.33704	0.8
831.49353	100.0
832.49677	23.2
832.62170	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	0.7
63.96086	2.0
69.03309	0.8
71.01250	8.5
73.02818	1.0
75.11826	0.7
78.98470	6.7
79.95609	30.6
80.96391	76.3
83.06815	0.6
85.02837	3.3
87.00739	2.8
89.70938	0.7
90.32417	0.6
94.97964	18.5
96.95866	1.7
97.02819	2.0
98.20663	1.2
101.02327	2.4
106.97978	4.0
111.83546	0.6
122.97482	3.9
125.02352	3.7
127.94633	0.7
134.81349	0.6
134.97481	5.3
136.99033	2.2
148.99062	6.6
152.98529	6.8
161.04457	1.5
164.98531	12.4
192.55081	0.7
206.99634	3.6
225.00697	21.9
226.00940	0.9
226.43533	0.7
229.41667	0.7
241.00215	1.1
255.23369	1.7
283.04892	2.9
309.60468	0.6
341.05411	1.8
355.06940	1.7
397.11633	0.8
537.27496	2.9
575.25018	1.2
609.29388	0.9
623.31104	1.3
637.32825	0.9
693.38806	1.2
719.39044	0.7
831.49329	100.0
832.49713	21.8
832.61566	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.475
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	8.2
59.98248	1.4
61.98706	48.2
67.31980	1.5
70.47963	1.3
71.01271	5.0
71.57648	2.0
71.58034	1.5
72.99168	2.4
73.02853	1.5
75.00758	2.1
78.95785	3.2
87.00788	1.7
88.98669	2.6
89.02337	2.9
93.11794	1.4
97.02792	1.7
97.06493	1.3
101.02299	3.0
111.08037	3.7
125.02328	4.9
125.09592	1.6
143.00732	1.5
152.99464	1.6
165.12733	2.0
169.12213	1.8
171.10222	4.5
176.48315	1.7
178.10788	1.5
183.13823	6.3
193.12222	2.1
197.11722	15.8
209.11737	4.2
211.13347	100.0
212.13661	5.6
227.12793	2.3
235.08199	5.1
253.09262	10.7
255.04787	1.6
258.38660	1.5
291.19653	14.2
309.20703	38.3
310.21088	2.7
432.05359	1.8
447.22458	8.2
448.22479	1.7
469.16229	1.5
626.36359	1.7
642.97864	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	30.2
60.83294	1.7
61.98704	9.1
69.03315	3.0
71.01254	22.8
71.32265	1.8
71.58917	1.9
71.59352	1.9
72.99152	3.5
73.02812	3.3
75.00749	2.7
76.89506	1.9
78.95764	5.5
83.01247	2.3
85.02833	11.7
87.00722	3.9
89.02316	20.6
96.95872	3.5
97.02819	5.0
101.02332	15.2
109.02744	1.9
113.02354	10.3
115.00274	2.4
119.03330	2.6
125.02328	12.6
141.01605	3.9
143.03441	2.4
161.04298	3.1
163.11238	2.1
165.12755	8.3
167.10640	2.1
169.01375	4.5
169.02687	2.0
171.10216	1.9
176.44736	1.8
179.05482	3.2
179.10664	3.4
179.14287	5.6
183.13831	70.4
184.14153	2.7
195.13815	6.2
197.54018	1.8
205.12263	3.4
209.11763	12.3
211.13301	3.9
223.13339	43.7
224.13576	2.9
227.12784	6.7
235.08176	3.1
235.46490	1.9
255.23264	2.3
270.21918	2.2
277.21793	2.0
289.07071	2.2
345.00104	2.1
397.13644	13.3
415.14636	3.0
625.26947	5.0
753.03052	2.3
759.25299	2.1
831.39978	100.0
832.40881	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	831.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00461	1.5
59.01256	19.4
63.48320	0.6
68.04379	0.5
69.03323	1.9
70.01204	2.9
71.01256	14.8
71.04900	1.0
72.99177	2.2
73.02830	2.4
78.95792	0.6
80.02540	1.2
81.03348	1.8
83.01248	1.9
83.04908	5.9
84.02048	1.1
85.02827	3.9
87.00761	3.6
89.02319	15.3
93.03323	0.5
95.01263	1.1
95.04890	1.3
96.95892	1.6
97.02834	2.5
98.20464	0.7
99.00746	1.1
101.02335	11.7
109.02839	1.2
109.06548	0.6
111.00802	0.6
111.73585	0.5
113.02348	6.4
119.03382	4.1
119.73575	0.6
125.02349	6.8
125.06009	0.7
135.08089	0.6
139.03970	0.7
139.29433	0.6
141.01756	0.9
143.03447	2.6
161.04485	2.3
163.11194	4.0
165.12798	2.7
167.10692	2.1
171.10181	1.2
179.05573	4.2
179.10727	1.1
179.14308	1.9
181.12190	0.9
191.10698	0.6
195.13841	6.2
199.06012	0.8
205.12282	5.6
209.11780	100.0
210.12094	4.2
211.13193	0.5
221.06650	2.2
223.13350	63.2
224.13657	2.6
227.12839	14.7
228.13152	0.9
235.08199	4.3
261.15018	1.2
263.07489	0.7
287.07755	1.6
305.08755	1.4
379.12500	4.3
397.13513	37.0
398.13797	1.9
415.14587	10.4
589.24921	1.1
603.26074	2.5
607.26263	1.4
621.27631	3.5
795.38519	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	23.9
71.01231	8.2
71.58232	8.2
73.02821	9.8
76.39646	4.0
85.02830	4.2
87.13483	4.1
89.02319	5.1
93.03323	9.6
95.81294	3.7
101.02322	10.1
121.02840	8.8
122.03629	16.4
125.02319	13.6
136.01549	16.1
137.02330	6.9
149.02402	26.0
150.03142	100.0
151.00186	4.0
151.03976	19.6
164.04715	5.0
165.05502	98.6
166.02649	15.8
167.03377	5.1
176.01273	3.7
180.04146	8.2
181.04988	14.7
190.06296	5.2
195.06575	68.8
246.25854	3.9
339.12289	4.9
357.13309	7.4
378.73853	4.7
387.14511	39.7
505.18921	5.5
511.07401	4.4
535.19836	44.2
536.20123	4.7
583.22095	26.8
584.22302	5.7
651.08423	4.1
678.31470	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	829.4591
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00465	0.9
59.01253	15.7
60.99164	0.6
69.03333	1.4
71.01254	16.7
71.58744	0.7
72.99191	1.7
73.02815	3.8
75.00728	0.4
75.52535	0.4
80.87321	0.4
81.03337	1.2
83.01253	2.2
85.02824	5.6
87.00754	6.2
88.98699	2.1
89.02320	14.6
91.03886	0.6
94.74722	0.4
95.01277	1.6
97.02833	3.4
99.00764	1.3
101.02324	13.3
109.02854	0.5
111.00731	0.5
111.04398	0.5
113.02327	7.6
113.03059	0.6
119.03383	3.6
125.02335	8.5
125.09588	1.0
127.11202	1.9
131.03352	0.5
139.03886	0.4
143.03387	2.9
150.83981	0.4
153.09067	0.6
161.04469	4.0
167.03369	0.9
171.10181	100.0
172.10504	3.3
173.61772	0.4
179.05511	3.5
199.06053	1.3
203.05550	0.5
209.11809	1.1
217.07191	0.6
221.06648	1.2
232.64098	0.5
235.08176	7.2
245.06700	0.4
253.09218	1.2
263.07660	0.5
277.21722	64.5
278.22086	6.3
287.07736	2.3
291.23331	0.7
305.08826	1.9
323.09933	0.8
379.12448	9.0
380.12891	0.7
397.13495	37.3
398.13766	2.4
415.14548	8.5
416.14639	0.5
603.29547	0.5
675.35132	0.5
693.01788	0.4
736.16437	0.4
801.89423	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.4
63.02252	0.4
65.00189	1.4
77.03813	0.2
78.80146	0.2
78.95744	0.2
83.01252	1.1
96.95893	0.6
105.00620	0.2
105.19971	0.2
107.01259	2.2
110.62396	0.2
114.43042	0.2
118.58452	0.2
121.02851	0.5
125.02353	0.2
129.64452	0.2
132.02075	0.2
133.02840	12.7
134.03156	0.4
149.02333	1.9
151.00267	5.1
175.03929	2.6
185.05940	0.3
195.04387	0.6
197.06012	0.3
198.03111	0.4
199.03958	2.1
201.01826	0.8
208.61180	0.2
211.03973	0.4
211.33006	0.2
215.03470	0.4
217.04935	1.1
223.03914	0.3
229.05075	0.3
239.03464	2.6
241.05017	0.9
243.02888	0.7
253.72418	0.2
254.05891	1.7
267.02954	1.0
282.05316	6.8
283.05563	0.4
285.04022	100.0
286.04376	7.1
297.07651	11.9
298.07864	1.1
307.06006	0.3
760.58411	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	77.2
60.01592	1.4
60.67595	1.5
70.06319	5.6
70.06721	3.6
71.01254	31.4
72.99181	1.9
73.02818	32.7
78.95772	6.8
79.20492	1.7
83.01248	8.8
83.67881	1.5
85.02829	7.1
87.00781	2.1
89.02299	8.4
89.45865	1.4
93.03336	3.6
95.01279	2.1
96.22348	1.5
101.02325	32.8
105.87311	1.5
113.02326	16.0
113.56926	1.5
119.03391	6.3
121.02850	4.6
122.03625	14.9
124.01504	2.3
125.02330	6.4
131.03362	3.7
133.02794	2.7
134.03654	1.4
135.04410	1.6
136.01549	2.0
137.02344	2.0
143.03389	4.5
149.02351	29.2
149.04440	5.8
150.03128	100.0
151.03537	2.3
155.03474	2.4
161.04446	13.7
162.03134	2.4
164.04712	8.2
165.01871	2.7
165.05482	81.1
166.02596	1.7
166.05833	3.0
168.00584	2.1
177.05475	1.8
179.05502	2.2
180.04181	6.9
181.04965	2.5
183.02939	1.6
193.04944	2.3
195.06551	53.0
196.06914	1.9
203.05495	3.1
209.08081	12.9
210.08417	4.1
211.80544	1.5
213.74799	1.4
221.06447	3.2
225.07683	2.5
244.61923	1.8
277.09732	1.7
294.05414	1.8
309.07593	2.5
324.09937	6.1
339.08823	3.7
339.12357	13.1
357.13461	4.7
369.13434	13.9
459.89429	1.7
505.18872	4.0
517.18646	10.9
535.19653	13.1
561.20233	3.5
573.19891	5.9
583.21637	4.2
679.23987	10.7
697.25562	4.4
739.25983	14.8
787.27747	9.9
847.61823	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29622	1.6
59.01251	19.8
61.98706	8.1
62.80759	1.4
63.11182	1.5
70.55028	1.6
71.01253	7.5
71.58873	2.4
74.87310	1.5
78.28320	1.5
78.95712	1.9
81.53428	1.7
83.01256	1.9
86.04567	1.4
88.98686	3.7
89.02312	5.3
97.06460	3.0
101.02314	4.6
105.01781	2.3
113.02332	4.9
125.02338	4.0
125.09613	2.6
163.11180	2.7
169.01344	2.5
171.10207	15.7
178.26648	1.6
183.13808	5.4
185.11807	5.2
191.14264	4.0
193.12270	2.3
207.10251	2.4
209.11806	11.3
211.13339	100.0
212.13634	5.3
225.11116	2.0
235.08234	6.1
235.13286	1.9
245.19067	4.7
253.09248	9.9
263.20123	2.1
277.21771	13.0
289.18121	42.3
290.18243	3.1
307.19128	34.1
308.19534	3.1
397.13559	6.6
415.14478	2.3
434.55188	1.9
447.22342	2.9
612.56665	1.9
621.32288	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	829.4594
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00465	0.6
58.23642	0.3
59.01254	15.7
60.99186	0.4
61.98667	0.3
67.44174	0.3
69.03334	1.1
71.01256	16.0
71.16772	0.6
72.99184	1.5
73.02820	2.8
75.00739	0.5
76.55929	0.3
81.03339	1.0
83.01264	2.2
83.04892	0.4
85.02824	4.2
87.00755	4.8
88.98675	1.3
89.02318	12.3
91.03887	0.4
93.26431	0.3
93.44503	0.3
95.01274	1.6
97.02834	3.4
99.00751	0.9
101.02325	12.2
103.03880	0.3
108.88191	0.3
109.02817	0.5
111.00757	0.4
113.02335	7.3
119.03387	3.7
124.01537	0.4
125.02335	7.1
125.09613	1.0
127.11192	1.6
133.04973	0.6
139.03897	0.8
141.01833	0.5
143.03391	2.2
149.04440	0.3
153.09097	1.0
161.04471	3.9
167.03427	0.4
171.10182	100.0
172.10553	3.5
179.05537	3.2
185.11761	0.5
199.05992	0.6
209.11777	0.6
213.11177	0.5
217.07089	1.2
221.06621	1.2
235.08195	5.6
245.06485	0.3
250.87407	0.3
253.09334	0.9
259.08243	0.5
263.07654	0.5
277.21716	54.4
278.22058	4.0
287.07724	2.1
305.08713	2.0
323.09836	1.0
361.11450	0.5
379.12421	9.0
380.12823	0.4
397.13486	36.2
398.13824	2.0
415.14575	7.5
429.36035	0.3
543.21802	0.3
551.23584	0.8
569.24432	1.6
845.65082	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	92.6
60.01572	0.7
61.54501	0.6
70.57446	0.5
71.01257	6.6
72.99181	0.9
73.02814	2.8
80.32698	0.5
81.03338	2.3
83.01262	2.9
84.37788	0.5
85.02838	2.4
89.02332	2.1
95.01270	0.8
95.04939	0.7
98.19867	1.9
98.20556	1.5
99.00777	1.1
101.02314	5.1
108.02048	3.2
109.02861	1.0
113.02341	2.5
114.51408	0.5
119.04941	0.8
123.08076	1.1
125.02331	10.6
125.05995	2.7
137.02341	1.3
137.87086	0.5
147.08046	0.9
149.02380	1.1
151.00348	0.6
151.03896	2.1
152.01048	7.8
161.02328	1.1
161.04471	1.8
165.09129	17.1
166.09482	1.2
167.03444	0.9
174.69810	0.5
175.03905	1.1
177.01854	4.8
191.07007	1.4
205.12395	0.7
209.08136	100.0
210.08484	4.5
233.07957	0.6
243.02890	2.9
251.09248	0.7
255.03059	1.1
261.04037	0.8
287.05646	1.2
315.35721	0.5
353.19724	2.2
371.13507	11.7
371.20657	3.8
372.13794	0.8
405.06201	1.2
413.21741	8.1
417.10391	2.0
423.07288	1.2
433.19342	0.6
649.21082	1.5
829.27643	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	829.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	89.0
60.01573	0.4
61.57148	0.3
65.00200	0.7
71.01260	7.9
71.59885	0.4
71.60246	0.7
72.99167	0.4
73.02810	3.8
74.38137	0.3
75.00769	0.5
81.03334	2.6
83.01263	2.1
85.02831	4.5
87.00726	0.7
89.02335	1.6
95.01291	0.3
99.00790	1.5
101.02326	7.2
111.93024	0.3
113.02343	4.3
119.03426	0.4
122.03625	0.9
123.08074	1.7
125.02337	5.0
125.05976	2.5
137.09595	0.5
149.02339	0.6
151.00305	1.1
159.02876	0.6
161.04486	2.7
165.09129	17.2
165.12918	0.4
166.09369	0.7
167.84479	0.4
189.91328	0.4
191.07007	0.6
209.08142	100.0
209.15436	1.9
210.08479	3.8
229.27657	0.3
233.08086	0.6
251.09155	1.1
353.19690	5.1
354.19977	0.5
371.13528	10.4
371.20728	9.4
372.13818	0.9
372.20935	0.6
413.21817	14.4
414.22076	1.4
585.74835	0.4
812.88721	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	43.8
63.44458	1.9
70.37148	8.0
72.99192	6.4
80.64947	1.9
83.01247	2.4
85.02832	3.1
95.01241	2.0
97.02812	2.9
109.02154	2.5
109.02849	13.4
110.52074	1.7
111.73846	1.8
119.04922	8.3
121.02853	3.2
123.04398	9.7
125.02333	98.4
133.02838	3.2
135.04419	2.7
137.02330	21.3
145.02925	2.7
147.04416	100.0
148.04788	3.8
148.96983	2.2
149.02364	5.0
151.03954	7.5
159.04535	3.0
161.02351	22.3
161.05899	4.4
163.03957	2.4
164.01016	4.7
165.01810	6.2
165.05475	85.5
166.05820	4.2
169.01320	2.4
175.03891	5.8
177.01854	3.7
179.03423	3.7
187.03935	4.4
188.04684	2.1
191.03448	2.3
203.07011	4.5
205.05005	5.4
207.06557	37.7
208.07050	2.2
229.04910	3.2
243.02979	2.5
245.04549	2.6
245.08105	7.3
247.61958	1.8
255.02991	4.0
273.04034	5.4
287.05612	12.5
289.07196	52.6
290.07462	5.6
299.05643	6.4
322.63226	2.1
339.08618	1.9
381.09879	2.3
407.07736	40.2
408.08133	3.5
425.08795	37.7
426.09140	4.0
451.10370	13.6
452.11008	2.3
577.13428	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	829.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.5
70.11571	0.7
70.11895	2.5
71.01257	2.0
72.98772	1.4
72.99181	24.7
85.02834	2.5
87.00758	0.9
87.01353	0.7
89.02320	1.4
93.03345	2.0
94.22256	0.6
99.00695	1.1
102.06267	0.7
108.02055	5.6
109.02834	2.5
111.00800	0.7
111.47832	0.7
113.02363	4.0
117.03347	2.4
119.04917	100.0
120.05251	2.9
121.02851	3.5
121.66545	0.7
122.03621	1.9
123.04398	1.4
125.02352	2.6
125.95402	0.7
126.53377	0.7
126.98178	0.7
128.50432	0.6
132.02129	1.2
133.02832	3.3
134.03615	10.9
135.04391	2.9
137.02380	1.5
145.02866	4.3
149.02367	3.9
149.05965	2.8
150.03130	13.4
152.01059	9.8
160.01561	3.3
161.02356	1.6
162.03116	1.8
163.03918	59.1
164.04390	2.3
165.05457	9.4
169.01321	1.1
175.03917	4.8
177.01910	1.3
177.05498	0.9
178.02673	3.7
179.03439	2.2
187.07509	0.8
193.04993	10.0
195.06564	2.6
205.05061	1.2
209.08034	1.1
233.04387	0.8
277.07169	1.9
282.09180	0.8
341.10471	1.2
393.11084	0.9
399.09045	1.2
417.10574	2.2
439.12448	16.7
440.12646	1.1
457.13504	12.1
458.13474	0.9
503.17627	0.9
631.17072	1.2
633.18225	10.3
634.18860	1.6
806.57471	0.8
829.26611	12.6
830.26917	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	828.5399
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93863	1.1
59.01238	4.4
59.13953	1.2
60.40216	1.1
60.99164	1.2
64.15636	1.1
69.03299	2.5
70.27086	4.9
71.01246	2.5
71.04903	1.2
75.00748	4.1
78.95779	12.1
83.04910	1.9
88.61628	1.1
88.94008	1.1
88.98672	5.9
89.02319	1.4
93.06992	1.5
96.96835	2.5
97.06500	2.3
98.19856	1.6
101.02289	1.3
113.02362	1.6
119.08553	7.9
121.10105	10.6
123.08053	4.2
124.99994	2.1
125.02324	4.8
125.09615	10.9
137.02400	1.4
137.09644	1.9
147.08037	1.4
152.99493	4.4
162.91855	1.3
163.00343	1.3
163.11211	1.3
165.90675	1.1
168.04167	2.4
169.01318	2.7
171.10188	22.8
185.10211	1.6
185.11766	24.4
197.11783	7.3
209.11729	5.9
211.13348	7.2
223.13330	2.3
229.19551	3.3
231.39903	1.1
242.07913	2.5
247.20622	4.6
273.18576	7.6
275.20142	5.1
277.21747	7.5
279.23285	100.0
280.23633	6.0
289.18097	2.8
291.19669	86.9
292.20029	4.7
309.20715	3.0
397.13504	2.2
504.31000	31.6
505.31110	2.9
780.32855	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00469	1.0
59.01251	16.8
60.26392	0.5
61.98696	2.0
66.74454	0.5
69.03312	4.7
71.01254	15.0
72.99184	2.2
73.02824	1.7
75.00740	0.6
83.01258	1.2
83.04900	0.6
85.02828	4.1
87.00750	3.4
89.02321	11.9
93.03317	0.6
95.01272	1.1
95.04906	0.6
97.02833	1.8
98.20656	0.9
99.00777	1.0
101.02316	9.4
109.02848	0.6
109.06488	1.0
113.02333	4.8
119.03384	3.4
119.05641	0.5
125.02347	5.3
125.09621	0.6
131.03380	0.7
142.75760	0.5
143.03407	1.5
149.09668	0.8
161.04466	2.5
161.13203	0.7
167.10704	3.3
177.12724	0.7
179.05516	3.2
179.10727	0.9
179.14313	3.5
180.78445	0.5
195.13855	11.4
201.11215	0.8
205.12296	10.9
206.12740	0.7
209.11809	1.1
221.06601	1.3
223.13351	100.0
224.13727	6.2
235.08266	2.7
253.09224	1.1
291.19540	0.6
305.08679	1.4
323.09811	1.1
359.47290	0.6
379.12347	2.4
397.13504	27.8
398.13803	1.4
400.08878	0.6
403.25229	0.6
411.25458	1.0
415.14536	7.7
429.26413	1.4
603.26306	5.5
604.27087	1.1
621.27679	9.6
622.28137	1.5
809.39764	1.5
827.41187	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00466	0.6
59.01254	16.1
61.98704	1.0
66.59351	0.4
69.03323	3.3
70.93208	1.2
71.01255	13.5
71.04890	0.9
72.99184	1.3
73.02819	2.3
78.95798	0.6
81.03309	0.6
83.01263	1.4
83.04899	0.7
85.02816	3.1
87.00759	2.8
89.02321	10.9
95.01260	1.0
97.02844	1.6
99.00736	0.7
101.02328	8.2
103.16893	0.4
109.06457	1.0
113.02338	6.2
119.03409	2.3
121.02939	0.5
125.02332	4.6
128.42410	0.4
131.03381	0.7
141.09093	0.6
143.03421	2.0
149.09628	0.8
158.83327	0.5
161.04463	2.3
167.10675	3.8
171.10219	0.5
179.05557	4.2
179.10696	1.3
179.14348	2.9
195.13852	11.1
196.14169	0.6
197.11740	0.6
199.09869	0.6
205.12277	9.5
209.11737	1.1
221.06628	0.9
223.13354	100.0
224.13741	4.6
235.08171	2.1
253.09254	1.0
287.07675	0.9
305.08701	1.4
323.09872	0.9
379.12543	3.2
397.13507	24.8
398.13858	1.5
411.25159	0.9
415.14563	5.7
429.26321	1.4
603.26611	5.7
604.26453	0.7
621.27625	7.4
622.28064	1.2
783.38629	0.5
809.39911	1.8
827.40991	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00463	5.7
59.01252	21.7
59.99464	1.5
66.90930	1.6
69.03341	2.2
71.01252	45.0
71.04918	1.7
72.99186	3.3
73.02818	12.0
75.00761	4.1
83.01272	30.1
84.02043	3.0
85.02840	6.4
85.99995	2.1
87.00731	7.3
97.02618	4.3
99.00682	15.4
101.02319	24.6
111.00609	1.7
111.16222	1.7
112.01538	26.6
112.98505	1.9
113.02330	9.2
123.00522	9.1
125.02174	3.3
127.00259	3.9
135.67505	1.5
140.00836	6.4
141.01587	19.6
141.98740	4.3
149.45103	1.5
151.00055	18.3
153.01599	6.4
153.12727	3.9
161.04715	1.4
166.99536	23.2
168.00131	1.5
183.02670	85.3
184.02908	2.4
185.00578	1.5
193.12025	28.2
195.13850	6.4
201.03702	6.2
207.09998	3.4
225.03781	2.6
227.01686	15.3
235.13069	11.1
237.11037	13.4
245.02884	1.9
247.13118	3.4
259.13016	2.9
277.14240	17.7
297.17014	5.7
306.04059	1.9
337.16327	45.0
338.16727	2.4
355.17349	47.8
355.21753	2.8
356.17676	2.5
379.17401	24.7
380.17816	2.9
381.15274	43.2
382.15643	3.7
397.18405	100.0
398.18839	8.2
399.16293	42.8
400.16626	3.3
423.16281	5.5
441.17200	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	825.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	5.4
69.03317	1.3
69.62673	1.8
69.63086	3.1
71.00891	1.1
71.01251	12.5
72.99171	2.0
73.02824	1.8
75.00747	13.4
81.44729	0.7
83.01258	2.1
85.02826	17.4
87.00771	4.2
89.02319	1.6
95.01263	2.2
99.00751	5.4
101.02326	4.4
109.02797	1.0
112.01515	0.8
113.02333	15.6
115.00248	1.3
125.02343	8.0
137.02335	0.8
148.01514	0.9
149.02428	0.7
161.02362	1.2
161.04451	1.7
166.02637	0.7
169.01328	4.3
175.00330	1.1
175.02373	1.6
176.01089	6.6
177.01836	2.5
177.64217	0.7
186.81133	0.7
191.01904	1.0
191.03458	7.2
215.56123	0.7
243.03148	0.8
301.03653	1.1
314.43674	0.8
439.18201	100.0
440.18506	6.8
441.68576	0.8
493.35101	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	48.7
59.43569	0.8
69.03322	0.8
69.68297	5.2
71.01257	22.1
72.99179	1.1
73.02825	21.6
75.00765	1.0
81.03337	3.2
83.01256	8.8
85.02829	4.9
87.00735	0.8
89.02338	4.3
99.00737	1.5
101.02332	18.6
108.30457	0.6
109.02847	2.3
113.02344	7.4
119.03362	2.5
119.04174	0.7
119.04982	0.7
121.02846	1.3
122.03646	2.1
123.08061	1.1
125.02349	17.8
125.05993	2.7
128.78369	0.6
131.03410	1.3
135.04434	1.1
137.02350	2.3
137.09694	0.8
143.03423	2.4
145.02861	0.9
149.02365	2.1
149.04492	3.6
150.03128	2.0
151.00272	1.5
151.03813	1.1
152.01079	0.7
155.03423	0.8
159.04480	0.9
161.02322	1.8
161.04488	5.7
163.03891	1.0
164.00957	0.8
165.01830	1.7
165.05496	2.4
165.09131	20.4
166.09488	1.2
169.01364	3.0
175.03998	1.1
177.01875	2.6
179.03413	0.9
179.07101	1.5
180.04214	1.4
181.04950	0.9
187.03882	1.1
189.12764	1.5
191.07153	0.7
192.04277	1.5
195.06631	3.3
203.05528	2.3
205.04907	0.8
207.06624	3.8
207.13896	3.6
209.08150	100.0
210.08507	5.3
221.06567	1.2
223.09654	1.3
229.04997	0.7
271.06171	1.4
289.07236	5.3
371.13480	10.4
372.13965	1.0
385.13080	1.6
441.08188	0.9
495.23755	0.8
505.15332	3.2
523.16083	0.7
675.21204	0.8
735.43304	0.8
833.83582	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.5215
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98790	0.7
59.01252	56.2
60.01582	0.8
60.68789	0.8
61.98700	0.8
69.03316	1.3
70.97060	2.3
71.01254	9.6
72.99148	1.3
73.02827	2.9
73.61440	0.7
78.95781	1.3
82.17935	0.6
83.01272	1.4
83.04936	0.8
85.02818	8.4
87.00752	2.4
89.02329	7.1
95.04839	0.8
96.95880	3.3
97.02835	2.0
97.06470	3.3
101.02321	10.6
113.02311	4.5
113.75413	0.8
119.03385	2.1
125.02379	1.3
125.09624	1.2
127.07458	1.1
127.11185	1.1
133.04977	1.3
137.09570	1.3
141.01601	26.0
143.03406	1.5
145.04996	1.2
152.99495	1.0
155.10701	1.3
161.04471	3.6
165.12791	1.3
171.10184	15.0
172.10609	0.8
174.29512	0.8
178.09473	0.8
179.05569	1.0
183.13872	4.5
185.11781	1.1
193.12296	1.9
195.13806	1.7
197.11787	5.4
199.13341	0.9
209.11708	2.0
211.13362	17.9
220.87328	0.7
221.11743	2.7
229.14436	10.9
235.08188	14.5
236.08307	0.9
239.12834	1.1
247.20641	1.0
253.09276	30.8
254.09698	1.0
275.20041	1.0
277.21719	100.0
278.22095	6.5
283.26385	3.0
291.19696	8.9
292.19885	1.0
293.21237	6.9
294.21591	1.2
295.19827	1.3
295.22787	12.5
296.23138	1.9
309.20715	20.0
310.21072	1.1
311.22214	6.2
312.22809	1.3
327.21765	80.1
328.22192	5.2
351.72116	0.8
365.26660	2.7
397.13544	5.7
415.14310	1.2
419.11826	0.8
437.12726	2.1
545.30066	1.2
563.30652	2.7
647.66400	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98716	12.7
62.93913	7.4
70.35602	26.3
80.96381	8.6
94.84573	7.2
98.20477	12.0
101.02337	8.8
104.41535	7.6
113.02394	7.8
116.92780	8.7
125.02349	21.4
167.21982	8.8
169.01410	8.9
176.79471	8.7
197.11771	18.9
206.68513	7.9
209.11784	100.0
211.13382	9.4
225.00648	8.8
227.12885	19.8
233.06372	7.9
237.44611	7.9
253.09305	15.8
276.22482	7.8
291.19650	15.9
309.20789	62.2
310.20914	9.4
445.20667	10.0
823.42139	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	823.5217
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45075	1.9
59.01245	6.0
59.85609	1.5
69.03334	1.8
71.01260	7.7
71.58470	1.9
71.58883	1.9
83.04895	5.1
86.29232	1.6
88.98689	1.9
89.64601	1.6
95.04913	3.7
97.06451	5.3
109.06380	2.0
111.08053	13.8
113.09621	4.5
119.08521	2.3
125.02335	4.4
125.09577	2.7
139.11172	3.4
151.03964	2.0
151.07581	2.2
151.11198	22.0
153.12796	2.4
158.46387	1.7
163.11234	5.3
165.12787	19.9
167.10603	2.9
169.01358	3.4
171.10179	4.4
177.12747	2.6
179.10745	10.5
181.12263	27.1
185.11728	3.1
191.10681	14.8
195.13805	8.9
197.11853	4.0
209.11772	100.0
209.15253	4.6
210.12057	3.7
211.13264	6.0
227.12796	5.8
247.20703	7.2
249.10938	2.3
253.09160	2.3
263.20062	3.3
265.21732	4.4
273.18793	2.1
277.21811	12.6
281.21240	2.4
291.19669	91.8
292.19971	4.9
309.17041	8.8
309.20712	39.2
310.21130	3.2
357.42572	1.8
526.28247	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	823.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	3.4
69.79585	1.0
69.79994	0.5
71.01259	0.6
73.02811	0.3
81.53114	0.2
83.01289	0.2
85.02823	0.3
96.95893	0.3
98.19804	0.3
98.20348	0.6
101.02319	0.3
116.26093	0.2
121.02843	0.7
122.03613	0.5
125.02329	0.8
147.04446	1.0
148.05205	100.0
149.05536	4.8
155.04962	0.3
163.07558	99.3
164.07893	4.9
203.05615	0.3
224.96004	0.2
230.51770	0.3
302.04486	0.3
367.13919	0.6
530.38647	0.3
578.25031	0.2
698.62659	0.3
837.77722	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.61856	1.4
66.55695	1.4
69.28204	9.2
69.28638	7.3
76.32301	1.5
78.95795	2.9
80.72871	1.5
93.03346	5.9
96.50572	1.6
96.95881	2.3
109.02866	4.0
121.02840	7.7
122.03638	15.9
123.00773	2.5
125.02357	2.5
129.71263	1.6
133.02823	1.9
136.01559	3.0
137.02342	14.4
149.02351	31.4
149.06003	1.8
150.03136	98.9
151.00253	9.2
151.03806	6.3
152.04677	4.0
153.05476	1.9
159.04370	2.1
164.04706	5.9
165.05487	100.0
166.02637	26.9
166.05815	3.9
167.03261	5.2
174.03416	1.5
175.03944	2.5
177.01913	1.8
177.05507	2.7
178.02573	2.1
179.07050	5.7
180.04242	6.5
181.04984	37.8
184.03621	1.4
187.03941	2.2
190.06155	1.9
193.05052	1.6
195.06561	53.9
196.06813	3.0
205.05011	6.4
207.06549	2.9
220.07375	5.5
269.35895	1.5
315.08859	2.1
387.10220	3.0
387.11536	2.1
387.14853	11.5
402.13446	3.0
403.13986	3.9
416.14850	3.2
417.15475	41.9
418.15720	3.2
535.15338	1.9
565.20807	53.4
566.21637	9.8
595.21832	4.6
597.23676	3.5
613.23022	4.4
626.24255	2.6
627.24213	12.4
775.29382	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60484	3.2
59.01246	12.2
61.98708	9.1
71.01262	25.8
71.58117	5.9
78.95786	5.2
80.91563	6.6
82.95287	94.9
83.01295	3.5
83.02391	8.8
89.02320	5.3
96.95888	16.4
101.02329	6.8
113.06003	5.2
125.02328	24.8
163.11250	7.0
169.01338	13.4
171.10178	13.7
199.09659	12.0
201.11227	4.8
207.10182	14.3
209.11771	100.0
210.12053	8.7
225.11302	16.1
227.12909	18.2
232.79337	3.6
235.08006	4.8
253.09283	13.8
277.21631	7.0
289.07294	4.6
289.18079	7.5
293.21228	11.4
294.21530	4.8
307.19174	6.6
397.79526	3.8
461.20404	7.2
535.67340	4.0
569.97394	4.7
665.01251	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	821.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.8
59.01246	4.3
61.98476	0.3
61.98706	4.2
64.73528	0.4
69.03322	0.5
69.53732	3.6
71.01255	5.3
71.55017	0.5
73.02802	1.1
80.96394	0.6
83.01256	0.6
83.04888	0.5
85.02816	0.9
87.00746	0.8
89.02306	3.2
95.01260	0.7
95.04916	0.6
96.39806	0.4
96.95880	1.0
97.06464	0.4
101.02319	4.6
109.06497	0.7
111.08051	7.1
113.02331	2.3
115.01163	0.5
119.03394	1.2
127.07541	1.0
153.55602	0.4
161.04411	2.9
167.10678	0.5
169.12213	3.3
171.10225	1.2
177.12764	0.5
179.05499	0.9
179.10648	0.5
179.14180	0.6
181.12253	1.0
181.34940	0.6
195.13832	7.2
196.14435	0.9
197.11768	36.7
198.12119	2.1
199.13356	3.0
205.12289	0.5
211.13342	6.3
223.13321	5.9
224.13834	0.5
227.12875	0.7
228.13680	0.6
233.65234	0.4
235.08220	2.2
253.09270	30.1
254.09680	1.0
256.13101	1.3
263.20184	2.4
265.17960	0.9
273.18631	1.0
275.20145	5.5
276.20569	0.7
291.19672	13.3
292.19943	1.2
293.21228	100.0
294.21564	8.5
309.20712	52.3
310.20984	5.1
404.77881	0.4
492.21942	0.5
527.29041	0.5
545.29102	0.7
585.41772	2.3
751.70734	0.5
793.96893	0.5
821.42737	0.9
831.77954	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.7
59.01249	6.4
69.32397	10.4
69.32820	5.5
71.01245	7.0
71.71153	1.7
78.95771	6.8
82.92825	1.5
83.04876	1.7
89.02294	3.8
95.01201	1.6
101.02321	6.2
109.06472	2.0
111.08102	2.0
113.02353	1.8
118.43803	1.6
119.03383	2.0
127.07613	1.8
161.04510	2.3
171.10257	2.2
195.13892	15.4
221.15413	3.9
223.13312	9.3
235.08395	1.6
239.16454	1.8
253.09259	28.9
275.20142	6.2
291.19650	21.9
293.21228	100.0
294.21628	9.6
299.30939	1.6
309.20685	66.6
310.21039	5.2
529.30060	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	821.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	24.6
61.06438	1.5
61.98701	34.2
71.01254	6.9
71.58950	1.5
78.91763	4.8
79.95639	1.6
80.91551	1.6
80.96393	4.2
85.02858	1.8
89.02322	4.7
96.95896	6.5
101.02328	5.1
101.64643	1.6
113.02303	1.8
119.03432	1.9
121.10097	2.2
122.62462	1.5
125.02319	3.2
125.09620	5.2
141.01595	9.9
161.04547	3.3
171.10188	14.3
185.11752	5.1
195.13789	10.2
197.11754	2.8
211.13359	67.3
212.08598	1.7
212.13712	3.3
223.13370	5.8
235.08229	4.5
253.09291	19.6
273.18536	1.9
275.20148	9.0
277.21542	3.8
281.24728	1.9
291.19672	49.4
292.19968	4.0
293.21240	100.0
294.21527	11.3
309.20856	3.3
397.13297	3.3
410.13168	1.9
447.22562	2.6
515.94086	1.6
527.28516	2.8
548.18060	1.7
707.34363	1.7
731.38251	1.9
803.38666	2.3
821.40204	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	821.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.7
58.00476	0.4
59.01248	5.6
61.98725	1.3
69.03359	1.2
69.53459	0.6
69.53864	2.1
71.01256	5.2
71.01594	0.4
73.02836	0.9
81.03362	0.3
83.01273	0.5
83.04951	0.4
85.02862	1.3
87.00801	1.1
89.02309	3.9
89.02805	0.3
93.03407	0.3
95.01283	0.7
96.95909	0.9
97.02830	3.8
97.06526	0.5
101.02326	4.5
101.02905	0.4
109.06482	0.5
111.08051	3.6
113.02325	2.9
119.03422	1.2
125.02373	0.6
125.09640	1.2
131.03441	0.4
137.09647	1.0
137.66487	0.4
143.03391	0.8
151.11142	0.4
153.12733	0.5
161.04475	2.1
163.11255	0.9
165.12778	2.4
167.10669	0.7
169.12280	2.2
171.10199	4.1
172.20952	0.3
177.12823	0.4
179.05537	0.8
179.10728	0.6
179.14388	1.3
181.12288	1.4
183.13789	0.8
195.13838	7.9
196.14413	0.7
197.11768	19.1
198.12144	0.7
199.13356	1.1
205.12352	0.9
207.10318	0.4
209.11795	1.0
211.13351	4.5
212.13615	0.5
216.97533	0.3
217.55792	0.4
223.13365	6.5
224.13776	0.5
227.12865	2.1
228.13615	0.5
235.08165	2.4
247.20638	1.5
248.21295	0.3
253.09280	25.1
254.09668	1.0
256.13110	1.3
263.20139	1.3
265.21765	0.5
273.18530	1.1
275.20169	7.8
276.20566	0.6
291.19672	28.5
292.20093	2.0
293.21228	100.0
294.21548	7.9
309.20712	58.1
310.21069	5.2
327.21881	0.5
492.22372	0.6
529.21704	0.4
529.29993	0.8
545.29266	0.8
585.41815	2.1
586.42456	0.5
591.10333	0.4
762.39722	0.4
821.42279	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	3.9
59.01254	16.4
61.98165	4.2
61.98707	100.0
71.01250	14.2
71.58516	5.1
75.50797	4.0
78.95763	6.1
80.96409	8.3
83.04897	11.1
87.00754	6.6
89.02328	5.1
101.02330	7.0
125.02383	10.5
127.00208	4.8
144.06558	15.5
145.01355	14.1
145.04974	19.8
167.48271	4.2
169.01337	8.4
171.10207	5.2
209.11723	23.9
277.21875	6.4
397.13406	11.6
436.87457	4.5
451.74091	4.5
598.60187	4.9
784.57141	4.4
821.41003	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	821.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.5
59.01250	4.7
70.86720	0.3
70.89041	0.5
70.89361	0.4
71.01254	4.2
73.02824	1.0
76.10081	0.3
81.03311	1.7
83.01247	0.7
85.02826	0.9
85.06470	0.8
87.00744	0.6
87.04391	0.4
89.02321	3.8
95.01237	0.3
95.04901	0.4
97.02844	0.3
98.20370	0.4
101.02330	4.4
109.06494	1.0
111.04405	2.2
111.08028	0.6
113.02344	1.9
119.03385	0.9
123.93851	0.3
125.02358	2.1
136.05168	0.4
149.02316	0.4
151.07556	15.6
152.07904	0.4
161.04443	1.2
165.05556	0.3
165.12775	5.2
166.13132	0.3
169.01422	0.3
177.05473	0.6
179.05510	0.4
179.07068	0.5
183.13828	63.4
184.14139	2.9
195.06560	34.8
196.06912	1.7
201.05566	0.5
209.08093	1.3
209.11740	1.0
219.06581	7.4
227.12823	4.2
228.13129	0.3
235.08194	0.5
237.07675	2.8
249.07622	0.7
253.09215	4.0
357.11938	10.8
358.12259	0.4
376.40637	0.3
445.20444	0.6
463.21844	100.0
464.22180	8.1
464.28259	0.2
642.27356	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	2.8
59.01245	13.5
69.57237	1.8
69.57615	18.1
71.01246	10.8
73.02812	3.3
85.02827	7.8
89.02332	6.0
89.74007	2.2
96.95876	13.5
97.02859	2.1
98.79094	2.3
99.00760	3.6
101.02303	5.1
106.06504	8.5
108.00775	6.5
108.08063	5.5
109.02839	4.2
113.02322	4.8
120.04437	2.2
122.06032	3.4
125.02341	10.3
134.06015	40.9
137.02292	2.9
138.01900	3.3
146.05978	4.8
147.06665	2.5
148.07635	3.1
149.02341	2.5
161.04678	4.0
162.05519	3.2
169.01306	6.1
171.10155	2.5
174.05450	5.1
175.08884	2.5
176.07097	10.0
176.10684	5.7
183.13879	2.8
188.07224	3.3
191.11877	2.6
200.07079	4.0
201.06700	5.3
202.05075	4.0
209.08159	2.3
209.11726	8.7
211.13316	3.8
212.03455	5.4
215.04633	3.0
216.06619	5.1
217.09790	5.1
227.05882	7.3
228.05312	7.3
229.06033	2.9
230.04579	3.9
241.06038	3.4
241.09874	3.9
242.03262	2.6
242.08218	5.3
243.03862	2.7
243.07718	23.1
244.06180	15.6
245.06798	7.7
246.07672	5.6
253.06174	10.2
254.06633	3.5
255.07706	5.5
255.14911	5.0
257.05612	7.4
257.09241	4.2
258.06586	4.2
259.07339	4.2
260.07898	20.6
261.08731	16.1
267.07693	10.6
267.15051	8.0
268.08344	4.6
271.07440	11.1
273.08878	3.1
285.08807	34.5
286.09415	5.2
296.08081	13.0
297.08878	11.1
313.08322	40.1
314.08578	3.5
315.09842	11.1
323.17392	2.6
327.21768	4.9
364.16370	2.6
376.16537	7.3
418.17633	6.4
423.14096	26.7
448.15286	3.0
467.13141	15.1
477.15137	10.6
483.23416	2.7
499.15460	4.2
547.23224	5.5
565.24554	31.4
566.25024	5.6
582.24933	3.3
583.25433	15.7
609.23810	4.0
627.24426	4.9
745.30939	100.0
746.31403	19.3
789.30011	25.9
790.29730	5.4
806.22662	2.6
818.99030	2.7
821.43365	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	819.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20017	1.4
57.32462	1.6
59.01254	9.4
61.98685	3.1
66.22602	1.4
67.57389	1.5
69.94823	7.0
71.01254	17.0
72.99187	6.2
75.00755	15.5
78.95779	1.7
85.02835	17.5
87.00745	6.4
89.02314	3.7
95.01261	4.9
96.95911	2.8
99.00773	9.8
103.00226	2.1
106.87729	1.5
113.02330	17.7
115.00200	2.2
117.01817	2.0
139.99794	1.5
155.10791	1.5
171.10194	3.7
175.02396	5.1
195.13794	6.7
211.13480	1.9
213.01529	1.4
223.13339	5.7
249.06206	3.2
253.09390	2.1
259.56445	1.7
275.20190	2.2
277.21820	9.2
287.16467	2.8
293.21289	29.3
305.17526	3.8
321.39526	1.5
343.73828	1.7
349.14694	1.7
525.27148	2.9
527.03900	1.6
543.28137	4.2
787.90558	1.8
819.49054	100.0
820.49506	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.8
59.01249	5.5
61.41142	0.3
61.98704	7.3
71.01258	4.1
71.04900	1.7
71.54539	0.6
73.02836	0.8
74.35017	0.3
75.00734	1.2
77.62669	0.3
80.02569	0.6
80.96371	0.5
81.03312	1.1
82.95287	0.6
83.01260	0.7
83.04871	0.9
85.02820	1.0
86.05234	0.3
87.00732	1.2
89.02324	2.6
95.01206	0.5
95.04910	1.2
97.02826	0.3
97.06448	0.4
98.03587	0.6
101.02328	3.7
103.01952	0.3
103.52646	0.3
106.04153	0.6
107.04964	0.5
109.06473	7.7
111.00687	0.5
111.04399	1.9
111.08040	1.2
113.02330	2.4
119.03404	1.1
123.08041	1.0
125.02332	0.5
127.07471	0.5
135.08118	0.4
137.09686	0.5
143.10658	0.8
145.04987	0.5
145.06480	1.5
149.09625	0.9
155.07182	0.4
161.04471	1.8
163.11139	0.4
167.10750	1.8
171.10159	0.6
177.12843	0.6
179.05496	0.8
179.10701	0.8
179.14349	0.7
181.12280	0.8
191.14357	0.6
195.13834	8.5
196.14449	0.3
205.12270	0.5
205.15872	0.4
209.11687	0.4
211.13292	0.8
215.14502	0.5
223.13361	5.3
225.15042	0.7
228.13620	0.6
235.08253	2.6
235.13300	0.7
245.19107	3.2
251.16443	0.6
253.09276	15.8
254.09595	0.5
256.13174	0.8
271.17044	1.0
273.15021	0.4
275.20169	4.4
287.16574	1.5
289.18097	100.0
290.18445	6.5
291.19730	0.8
293.21225	78.6
294.21552	4.5
307.19220	4.7
323.14471	0.3
525.26923	2.4
565.38837	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.8
57.59362	0.5
58.25829	0.5
59.01251	8.0
61.98705	91.0
69.03323	1.1
71.01257	6.5
71.53222	0.8
71.53585	0.9
73.02843	1.4
80.96397	1.3
81.03342	2.2
83.01265	2.2
83.04911	1.4
85.02832	1.6
87.00755	1.4
89.02327	3.8
95.01261	1.1
95.04909	1.6
97.02851	1.8
97.06475	3.4
99.00774	0.8
101.02325	6.4
106.84795	0.6
108.20850	0.6
109.06480	1.3
111.04412	0.8
111.08019	1.1
113.02355	3.2
119.03408	0.6
121.06470	0.9
123.04447	1.6
123.08092	1.2
125.09593	3.4
135.08014	0.8
137.09619	2.3
161.04492	2.5
161.09589	0.6
163.11209	5.1
165.12738	1.1
167.10661	1.0
171.10165	1.3
172.44319	0.7
177.77328	0.6
179.05669	0.7
179.10715	0.8
181.12299	1.5
185.11717	5.7
191.10713	0.8
191.14326	6.1
195.13840	9.5
197.11792	1.7
202.13718	0.6
205.12326	0.9
205.15862	0.9
207.10210	3.5
209.11784	13.6
211.13347	2.1
223.13316	6.8
225.11288	2.5
227.13054	0.7
235.08188	2.4
237.11285	5.8
243.17625	0.7
245.19069	12.4
246.19666	0.9
253.09256	22.1
256.13040	1.2
263.20184	3.7
271.17099	1.6
275.20157	6.6
277.21683	1.6
281.21384	1.0
287.16562	0.7
289.18106	64.7
290.18506	3.8
291.19693	4.8
292.20169	0.9
293.21231	100.0
294.21594	6.4
307.19150	56.7
308.19464	2.9
309.20688	2.0
318.68607	0.6
445.20416	0.9
525.27124	0.7
543.28265	1.4
583.40332	0.8
607.32617	0.7
819.48944	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	821.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	4.2
59.01250	38.6
69.03334	3.3
69.93934	9.9
71.01257	30.2
72.98775	3.1
72.99180	54.4
73.02824	10.9
83.01257	3.9
85.02831	12.6
87.00739	2.0
89.02322	9.8
89.03831	2.4
95.01241	3.0
97.02831	3.9
98.19858	2.9
98.20425	3.4
99.00748	13.6
101.02317	14.4
102.02662	1.5
106.04205	2.3
109.02826	2.8
111.00737	1.9
111.04394	6.2
113.02330	14.2
117.03327	6.3
117.57082	1.8
119.03434	2.0
120.38640	1.7
121.02846	3.6
121.06430	1.9
125.02297	4.4
129.15291	1.7
131.03433	2.2
132.02037	9.4
133.02702	1.7
134.03630	100.0
135.04359	6.9
137.02339	5.1
138.06822	2.6
149.05975	10.6
153.09093	5.4
160.01550	26.1
161.02277	5.1
161.04477	2.9
165.09085	2.1
169.01392	1.7
175.03938	22.5
178.02650	9.3
179.03322	6.0
185.13306	2.1
193.03307	3.4
193.04980	45.4
203.14308	8.0
247.13231	2.5
265.14447	2.0
451.19476	2.8
469.20706	9.2
583.24036	32.6
584.24261	2.2
601.25012	92.9
602.25311	10.0
777.29663	35.0
778.30487	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	819.49
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	2.1
59.01248	11.6
61.98708	13.4
69.03307	2.4
71.01257	12.4
71.16348	1.9
71.16678	1.3
73.02806	2.3
78.95771	2.0
78.98441	2.2
79.16296	1.1
79.95604	6.2
80.96389	27.7
81.03300	2.0
83.01241	2.1
83.04903	1.9
85.02819	3.4
87.00755	2.6
89.02309	4.7
92.54554	1.3
94.92348	1.8
94.97955	10.6
95.01286	1.2
95.04897	2.0
96.68417	1.2
97.02837	1.9
97.06474	3.3
99.00723	1.3
101.02316	8.4
111.08059	9.8
113.02325	5.2
119.03379	2.0
123.04375	1.4
125.02333	2.1
125.09586	3.0
134.97511	1.4
137.09634	1.9
148.98967	1.6
151.11116	1.3
152.98512	2.4
161.04445	3.0
163.11194	3.5
164.98560	3.7
165.12762	2.4
167.10687	2.1
169.12257	2.8
176.44377	1.2
177.12773	2.5
179.14333	1.9
185.11755	3.3
191.14316	3.8
195.13843	11.8
197.11760	25.8
198.12019	1.9
199.13387	2.5
207.10179	1.7
209.11768	7.8
210.12210	1.2
211.13380	6.8
223.13358	6.4
225.00671	6.1
225.11314	1.6
227.12860	1.7
235.08110	4.6
237.11369	2.0
245.19095	8.4
253.09247	28.3
256.13336	1.5
263.20117	4.9
271.17053	1.5
273.18616	1.7
275.20135	5.8
277.21619	2.3
289.18106	41.7
290.18317	3.1
291.19666	69.8
292.20007	4.7
293.21225	100.0
294.21573	7.0
305.17554	2.0
307.19147	38.9
308.19391	3.6
309.20715	38.6
310.21054	1.9
355.88879	1.2
422.93207	1.4
527.28503	2.6
543.27759	1.5
819.41907	23.2
820.42676	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	819.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.8
58.00467	1.2
59.01252	19.4
63.14642	0.4
66.93119	0.5
69.03325	1.6
69.98721	0.4
71.01254	19.4
71.35789	0.5
71.36093	0.6
72.99168	1.4
73.02821	2.2
75.00730	0.6
80.02545	1.8
81.03346	2.1
83.01240	2.2
83.04896	6.1
84.02049	1.0
85.02834	4.3
87.00755	4.1
89.02311	14.4
91.03912	0.5
95.01253	1.9
95.04913	1.2
96.95882	0.8
97.02840	2.6
99.00744	1.3
101.02328	12.3
107.20354	0.4
109.02858	0.7
113.02328	7.7
119.03370	4.2
125.02327	6.7
125.05956	0.7
126.64675	0.5
135.08070	1.3
139.03917	1.0
143.03409	2.0
149.02254	0.4
149.04471	0.6
161.04482	3.2
163.11195	3.7
165.12715	2.5
167.14301	0.6
171.10173	1.1
179.05557	4.3
181.12245	0.7
183.13860	7.1
189.51399	0.4
191.10651	1.3
193.12303	1.5
209.11774	100.0
210.12105	5.5
211.13338	88.2
212.13660	4.7
217.07095	0.6
221.06615	1.5
227.12849	13.9
228.13167	1.2
235.08177	5.0
249.15004	0.9
253.09187	0.9
263.07776	0.6
287.07755	1.3
305.08746	1.5
323.09863	1.0
338.63562	0.4
379.12433	4.6
397.13495	35.1
398.13876	3.2
415.14606	9.0
416.14764	1.0
472.13144	0.5
591.26593	1.3
607.26154	1.2
609.27454	1.6
727.04779	0.5
783.37640	0.9
801.37799	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	0.5
60.02962	0.2
61.98706	100.0
62.98412	0.2
70.65661	0.8
71.01266	0.5
78.95787	0.5
80.96412	0.4
85.02866	0.3
87.00766	0.3
89.02318	0.2
101.02327	0.2
113.02368	0.2
116.32394	0.2
125.02355	0.7
171.10222	0.3
209.11839	1.1
211.13353	0.5
212.13818	0.3
377.48727	0.3
389.77173	0.2
390.50641	0.3
545.13696	0.2
819.38043	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.8
61.98703	100.0
71.01276	0.8
71.58932	0.4
77.65803	0.3
78.95773	0.9
89.02309	0.4
101.02304	0.3
105.68324	0.3
107.94929	0.3
111.08112	0.4
113.02262	0.3
125.02364	0.3
152.99530	0.4
163.11140	0.3
171.10217	0.3
195.13696	0.4
197.11798	0.8
203.07104	0.4
209.11809	1.6
211.13426	0.5
223.13402	0.5
225.11334	0.4
228.13339	0.4
237.11273	0.4
245.19005	0.7
253.09302	1.9
263.20306	0.3
275.20407	0.5
289.18103	4.1
291.19632	2.6
293.21207	6.8
306.61038	0.3
307.19110	4.3
309.20703	1.2
326.64886	0.4
432.17343	0.3
449.52554	0.3
728.40363	0.3
729.86676	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.7
59.01249	14.0
60.66987	1.4
69.03310	1.6
69.94388	1.5
71.01265	10.5
71.39919	3.9
75.00749	3.5
81.03336	6.5
83.01236	2.7
83.04919	2.2
84.15936	1.4
85.02824	4.2
87.00755	2.2
89.02316	5.4
96.95903	6.3
97.02845	2.0
99.08090	1.8
101.02328	4.2
109.02835	2.1
113.02334	4.6
114.19883	1.6
125.02338	12.6
125.05997	6.6
137.02292	2.9
149.02391	3.0
150.03256	1.8
161.04469	2.4
163.11208	2.2
165.09126	37.4
165.12805	2.2
167.03394	2.3
169.01381	5.5
177.01804	2.2
191.06995	1.6
193.08754	1.8
209.08139	100.0
209.11679	23.5
210.08464	4.4
210.12065	3.0
211.13345	17.5
212.13725	1.8
217.04344	1.6
223.09714	2.0
227.12762	3.3
233.08160	26.6
251.09160	7.8
263.09323	2.3
266.92978	1.9
284.03394	1.9
285.04037	3.3
335.00446	2.0
371.13483	47.6
371.18216	2.6
372.13846	3.7
397.13605	9.3
415.14755	2.4
447.25754	2.4
527.04974	1.9
809.59351	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	818.4192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.5
61.98704	100.0
71.01261	0.4
71.44419	0.2
71.58174	0.3
78.95807	0.2
80.96393	0.6
85.02829	0.2
94.97984	0.2
101.02368	0.2
125.02353	0.3
149.85950	0.2
171.10141	0.2
183.13942	0.2
207.10419	0.2
209.11771	0.9
211.13409	0.5
227.12779	0.2
309.20786	0.2
322.76096	0.2
397.13852	0.3
507.11786	0.2
658.35620	0.2
700.17572	0.2
716.85736	0.2
818.39160	0.6
818.52191	0.4
819.38617	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.1216
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.7
63.02270	2.5
65.00191	3.3
71.01264	3.8
71.60010	1.3
73.68302	0.8
83.01274	2.7
85.02854	2.7
87.00734	0.9
93.03363	1.0
95.01271	1.2
100.17321	0.9
100.78822	0.9
107.01266	10.4
109.02848	5.9
113.02331	2.2
119.01328	0.9
121.02831	6.8
125.02343	1.8
125.85501	0.8
149.02341	1.6
151.00284	31.0
152.00668	0.9
163.00284	5.0
164.01028	1.2
169.01349	3.8
177.01920	0.9
178.99777	15.1
180.00064	0.9
183.04405	1.6
201.05507	1.2
203.03583	1.0
209.02986	1.0
211.03963	2.1
214.01428	3.4
227.03436	2.8
229.04996	1.3
243.02966	0.9
245.04565	3.5
255.02968	6.4
257.04440	1.1
271.02594	1.2
273.04059	2.2
283.02448	2.5
285.04068	1.8
299.02167	1.1
300.02847	5.1
301.03540	100.0
302.03992	7.1
322.03595	1.1
340.04626	2.1
477.06744	57.2
478.07068	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	817.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01582	1.2
61.98704	26.9
71.01260	3.1
71.47758	0.4
72.71365	0.4
74.44650	0.4
75.00734	0.4
79.95614	0.6
80.96378	2.1
84.58344	0.4
85.02848	0.8
87.00769	0.7
87.92045	0.4
89.02314	1.8
94.97972	0.4
95.01238	0.4
96.99187	1.5
97.02839	1.5
101.02332	1.8
104.33667	0.4
113.02344	1.3
119.03374	0.6
125.02330	1.7
141.01602	57.1
142.01944	0.7
161.04518	0.4
179.05397	0.4
197.11737	0.9
207.10226	0.7
209.11797	0.9
211.13345	0.9
225.00839	0.5
229.34288	0.5
235.08173	1.1
243.04932	0.6
277.21698	4.9
278.22098	0.9
359.22009	4.1
360.22134	0.5
397.13513	12.4
398.13889	0.8
415.14682	2.3
419.11661	2.0
437.12714	4.0
697.33661	1.3
788.01886	0.5
817.37665	1.0
817.51202	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
60.01579	0.7
61.98709	12.2
68.46988	0.5
71.01259	3.4
72.89208	0.5
72.99185	0.6
73.02838	0.8
75.00747	1.1
78.95786	1.2
79.15169	0.5
80.96432	0.7
85.02827	1.1
85.57321	0.5
87.00755	0.6
87.54562	0.5
89.02335	1.7
96.99235	0.7
97.02836	1.0
98.20563	1.1
101.02309	2.7
113.02357	1.8
119.03429	0.8
120.32762	0.5
125.02387	1.6
141.01607	52.4
142.01994	1.1
158.89301	0.6
169.01376	0.6
179.05664	0.5
197.11720	2.7
207.10176	0.5
209.11847	2.1
211.13408	1.3
235.08186	1.0
253.09427	0.9
253.18401	0.5
277.21722	7.1
293.21399	1.0
305.08902	0.6
309.20697	1.2
359.22040	4.7
397.13507	13.0
397.18539	0.8
398.13980	0.9
415.14597	2.9
419.11789	2.0
437.12701	3.9
697.34680	1.6
817.38916	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.2
58.00476	2.3
59.01253	100.0
60.01585	0.6
62.36827	0.7
69.03329	1.2
69.33205	7.8
71.01257	50.8
72.01614	1.1
72.99191	2.1
73.02822	61.4
74.03189	0.9
75.00763	1.9
77.31635	0.7
81.03328	1.1
83.01262	21.5
84.91862	0.7
85.02827	11.8
87.00738	4.0
89.02327	9.7
95.01291	2.9
96.95887	0.9
97.02827	0.9
99.00779	1.6
100.11880	0.7
101.02325	61.6
108.02084	0.8
109.02850	1.8
113.02334	20.9
117.03388	2.4
119.03422	5.3
121.02882	1.4
122.03641	0.8
123.00799	1.3
123.04445	1.2
124.01572	1.1
125.02342	6.0
131.03439	5.3
133.02859	3.5
134.03676	1.7
135.04399	1.0
136.01631	1.6
137.02325	6.0
143.03433	4.3
145.02849	10.2
146.03661	3.9
147.04420	2.1
149.02379	2.0
149.04469	5.7
150.03175	3.4
151.00252	9.4
151.03955	5.2
153.01897	1.0
153.05536	1.3
155.03487	1.6
160.05200	0.9
161.02354	9.1
161.04506	11.7
161.05980	2.4
161.49020	0.8
162.03137	82.0
163.03616	3.0
164.04756	0.9
165.01891	1.9
165.05495	4.2
166.02632	28.5
166.04005	1.5
167.03366	1.4
169.01347	1.3
175.03967	1.3
176.04620	0.8
177.02054	4.6
177.05495	64.1
178.05846	1.9
180.04253	2.3
181.04991	32.9
182.05359	1.2
191.01915	1.1
191.03499	2.5
192.04236	3.2
193.05023	1.5
195.06566	5.6
203.03659	0.9
203.05638	0.9
205.04985	1.9
207.06560	3.4
209.03020	0.8
209.11858	3.2
219.06621	2.3
220.07440	1.0
221.06558	1.6
225.07692	1.4
238.65442	0.7
249.07823	0.7
337.01883	0.8
339.11118	1.5
357.12039	1.3
383.77051	0.7
387.10178	4.7
387.15305	3.4
402.13452	2.2
416.14880	2.3
417.15579	16.2
418.16101	0.8
565.21039	0.8
577.20746	18.3
578.21204	1.6
797.35413	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.8
58.00462	1.0
59.01254	14.1
61.98698	1.5
63.54876	0.3
64.87485	0.3
69.03337	0.5
70.98389	0.7
70.98765	0.5
71.01258	11.9
71.01653	0.6
72.99172	0.9
73.02804	1.8
78.95802	0.5
80.02533	0.6
81.03329	1.8
83.01265	1.6
83.04898	4.1
84.02049	0.9
85.02821	3.6
87.00750	3.4
89.02321	10.0
90.06544	0.3
93.03323	0.4
95.01278	0.6
95.04886	0.6
96.95859	0.6
97.02834	2.0
97.06489	0.3
99.00769	0.7
101.02328	9.2
108.69555	0.4
109.02845	0.4
109.06487	0.8
111.00735	0.4
113.02332	5.2
119.03405	2.8
121.02832	0.7
123.04369	0.4
125.02338	5.5
125.05965	0.4
126.02609	0.4
131.03409	0.7
133.04936	0.5
135.08075	0.6
137.02350	0.4
143.03438	1.7
145.98637	0.3
146.31955	0.4
161.04514	2.0
163.11203	3.9
165.12802	1.6
167.03394	0.4
169.01416	0.6
171.10147	0.5
179.05521	2.8
181.12308	0.8
191.10738	0.8
193.42207	0.3
197.11786	0.5
207.10208	1.5
209.11783	100.0
210.12134	5.4
211.13359	2.3
217.07085	0.5
221.06660	0.8
223.13237	0.4
225.11182	1.6
227.10724	0.7
227.12866	8.4
228.13268	0.4
235.08179	3.7
243.33038	0.3
251.12794	0.4
253.09276	0.9
287.07706	1.1
298.11597	0.3
305.08890	0.7
330.27341	0.3
379.12457	3.8
380.12772	0.4
397.13525	21.2
398.13708	1.5
401.23157	0.4
415.14587	5.4
437.79218	0.4
509.29578	0.4
575.52887	0.3
607.25714	1.2
799.37817	1.0
817.39148	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82197	0.5
59.01241	1.5
65.00185	1.3
75.18249	0.4
83.01270	1.1
97.92596	0.5
107.01270	2.8
109.02836	1.5
115.46239	0.5
121.02835	2.0
125.27740	0.5
148.01556	0.9
151.00266	11.3
163.00282	3.0
165.01851	0.7
169.01413	0.7
178.99779	5.2
183.04417	0.8
211.03952	1.7
226.02734	1.0
227.03429	1.8
229.05087	0.9
230.02586	0.8
239.03395	0.7
243.02928	5.4
245.04509	2.0
254.02284	1.2
255.00233	0.8
255.02953	16.0
256.03406	1.3
271.02472	27.9
272.02930	2.0
273.03894	1.3
283.02469	1.4
300.02734	56.9
301.03494	43.4
302.03912	3.0
447.09302	100.0
448.09650	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	817.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	1.5
63.88094	0.8
65.06740	0.8
70.25462	1.0
70.25745	4.2
79.82273	0.8
86.27110	0.8
93.03331	2.1
97.57176	0.9
98.18037	0.9
108.02074	1.2
109.02830	1.9
121.02857	5.9
122.03591	2.5
123.00788	1.4
124.01559	0.9
125.02310	2.7
130.77371	1.2
132.10208	0.9
134.03624	1.1
135.04416	3.1
136.01550	25.7
137.02342	19.2
147.04442	1.1
149.02365	2.3
149.05978	1.4
150.03090	5.1
151.00313	6.4
151.03912	28.1
152.01013	2.6
153.01749	1.3
154.02574	1.3
160.05190	1.4
161.06021	0.9
162.03110	1.0
163.03856	2.3
164.01021	3.0
164.04654	1.0
165.01843	100.0
165.05457	5.7
166.02635	18.4
167.03377	4.3
172.05229	1.3
175.03911	4.6
177.01857	2.5
177.05542	2.1
177.15202	0.8
179.03412	23.9
179.06969	1.2
180.04198	55.0
181.04971	19.3
182.05330	1.5
189.05516	2.5
190.06345	5.2
190.07846	0.8
194.05742	3.6
195.02855	2.1
195.06558	70.5
196.06877	2.9
205.04990	2.5
207.06580	2.0
210.05287	10.9
225.07631	54.4
226.07961	1.8
322.49585	0.8
356.12592	1.2
357.09698	3.5
357.13477	5.9
359.11340	1.8
372.12036	3.9
386.13712	1.7
387.14490	42.7
388.14810	5.6
535.19769	1.5
565.20789	54.2
566.21082	5.4
613.22882	14.3
614.22998	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	4.5
63.02270	2.5
64.44028	1.1
65.00185	4.6
70.93876	2.2
78.75574	1.1
83.01250	3.8
86.44008	1.1
91.64117	1.2
93.03319	1.8
93.90913	1.1
96.95905	2.4
101.02319	1.9
103.39682	1.1
107.01286	7.2
121.02870	6.5
125.02322	1.7
132.02066	2.5
137.02332	2.0
138.03113	2.2
149.02406	1.3
151.00275	23.7
153.05467	1.7
164.01134	1.3
169.01303	3.7
176.01230	1.2
178.99773	9.6
191.03474	1.8
192.04060	2.0
193.01375	2.7
193.05072	1.2
195.04382	1.3
207.06577	3.1
208.03592	2.3
208.06837	1.6
209.73860	1.1
223.03987	4.4
223.06088	3.9
224.04669	2.0
224.06606	1.5
227.03432	2.0
251.03481	1.9
252.04250	51.6
253.04561	3.5
255.02934	2.5
257.04404	2.0
267.06613	100.0
268.06857	7.1
284.03290	2.7
285.04114	12.4
297.07712	1.9
301.03525	58.7
302.03833	4.2
309.07462	1.3
338.79163	1.2
359.15170	1.6
434.37482	1.3
439.59549	1.3
612.21838	3.7
613.21991	3.2
817.25293	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	817.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	2.8
59.01250	23.1
60.34804	2.5
62.02299	2.4
69.03313	3.1
71.01259	20.9
71.59937	3.9
72.99154	3.3
73.02831	4.2
75.00760	5.8
78.91776	19.3
80.31425	2.9
83.01275	5.0
85.02829	6.9
87.00765	5.3
89.02313	8.9
95.00087	3.0
95.01234	2.7
96.95901	10.9
97.02839	4.2
101.02325	8.8
103.45761	2.8
109.06471	3.3
113.02341	8.8
121.02863	6.0
121.13918	2.4
125.02330	17.2
125.09583	3.9
135.04462	3.8
137.02385	3.1
142.11470	2.6
150.03159	2.6
151.00307	3.4
163.11209	4.7
169.01360	4.5
171.10147	3.0
175.83116	2.5
179.29041	3.0
185.11842	2.7
207.10228	13.4
209.11797	24.0
211.13306	18.2
225.11331	13.6
227.12814	4.3
328.80881	3.2
383.22198	6.9
397.13623	11.8
401.23398	4.3
415.14517	5.0
419.24127	5.2
425.06757	3.3
481.05624	4.5
511.10468	9.3
522.24371	3.0
524.07471	7.6
539.09912	15.7
554.12238	8.2
569.14563	100.0
570.15070	14.2
643.59674	3.6
799.37512	18.6
817.38770	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	815.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	4.7
71.01254	3.8
78.95776	100.0
83.04897	1.8
88.98664	3.2
96.96844	26.2
106.81013	1.4
109.06480	3.1
110.08356	1.5
113.02264	1.6
125.02310	1.9
127.11161	3.5
141.94865	1.5
142.77690	1.6
143.50757	1.4
152.99490	27.7
161.74503	1.4
163.11197	4.2
171.10178	73.1
172.10580	3.2
176.67381	1.3
189.74809	1.5
195.00772	1.7
199.09694	7.1
201.11235	8.7
207.10117	7.3
209.11769	65.4
209.13765	3.4
215.12849	2.4
223.00104	7.7
225.11282	10.0
227.12814	8.4
229.33954	1.6
240.98761	3.1
241.01180	55.0
242.01340	1.9
243.12363	2.8
253.09250	6.2
255.23262	55.5
256.23572	6.4
259.02347	2.6
261.13361	3.5
277.21738	36.3
278.22235	3.0
286.80249	1.7
297.03696	3.2
307.09290	1.7
315.04843	1.7
391.22510	4.4
469.14911	2.3
553.27850	4.6
725.38782	71.8
726.39294	12.3
743.78033	2.2
753.38818	3.2
779.40045	5.9
797.40973	38.7
798.41101	5.6
815.41364	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	815.48
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	9.7
61.98713	7.4
71.01266	4.2
72.99184	1.3
75.00770	3.6
78.95792	4.5
79.09209	1.4
79.92766	1.4
79.95602	3.3
80.96409	4.4
85.02826	1.8
86.50172	1.2
86.99492	1.3
89.02322	1.9
91.10756	1.6
98.05730	1.3
99.00704	1.8
99.53030	1.4
101.02328	2.2
108.78795	1.7
113.02327	1.7
115.95443	1.5
119.03354	1.8
125.02349	4.1
136.43417	1.4
161.04449	2.0
169.01352	1.7
171.10147	1.7
183.13878	6.9
195.13857	4.9
211.13347	100.0
212.13647	4.9
223.13350	3.6
225.00555	2.2
235.08275	3.4
253.09267	13.5
275.20123	4.9
293.21228	62.6
294.21603	5.6
446.62537	1.6
447.22348	9.1
457.59271	1.5
626.26660	1.7
729.31580	3.0
734.31903	1.9
817.38208	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	815.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	4.5
61.06660	1.4
70.11829	5.2
71.01228	1.6
75.00767	1.4
78.95763	13.4
83.04898	5.5
84.72906	1.6
86.70592	1.4
89.02325	2.9
94.50170	1.5
96.96854	3.5
101.02297	2.2
101.56942	1.5
108.09039	1.5
113.02274	1.7
119.42886	1.6
151.70175	1.5
152.99481	3.9
159.31732	1.6
163.11249	2.6
171.10184	10.6
199.86758	1.4
209.11780	100.0
210.12083	5.3
227.12868	12.3
235.08174	4.2
241.01123	6.4
253.09193	7.7
255.23280	8.2
277.21716	71.3
278.22000	5.3
290.27347	1.7
445.20804	2.4
624.07050	1.8
725.26581	1.9
725.38525	9.8
726.38916	2.1
797.41003	4.1
815.42078	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	815.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	5.0
59.01250	9.2
63.37888	1.1
68.99719	1.9
69.44896	12.4
71.01257	20.6
72.99186	6.3
73.02835	2.3
75.00356	2.0
75.00757	22.2
83.01257	3.8
85.02831	20.2
87.00754	5.9
89.02335	2.1
95.01266	3.8
99.00770	12.3
101.02345	2.6
103.00272	1.4
105.43953	1.3
109.02869	1.4
111.00753	1.5
113.02353	16.8
115.00239	2.3
121.02848	3.6
123.00709	1.5
124.01544	2.3
125.02353	27.7
126.02659	4.0
135.04411	8.6
137.02374	1.5
147.04465	1.5
148.01599	2.2
149.02362	12.2
149.06038	1.5
150.03090	4.3
157.01314	2.2
163.03918	10.2
164.04697	11.5
169.01306	1.5
175.02373	2.4
175.03848	1.6
209.08209	7.4
225.05704	1.5
253.05034	5.5
254.05989	3.5
255.02872	2.3
268.07275	2.0
269.08194	49.9
270.05322	19.2
270.08569	4.5
283.09802	1.4
285.07678	49.6
285.90030	1.4
286.08081	5.7
300.10031	42.9
301.10648	7.5
315.12387	100.0
316.12704	9.5
337.07782	4.9
371.13315	2.7
477.17627	6.3
653.21149	3.8
815.26074	69.2
816.26337	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	815.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	2.6
59.01252	11.2
71.01247	12.1
71.22063	3.8
72.99174	3.0
75.00752	14.5
85.02835	20.7
87.00757	5.0
88.56969	1.5
92.49347	1.6
95.01260	3.4
99.00762	8.0
113.02336	14.8
116.92739	2.1
122.05223	1.7
139.85840	1.6
162.89288	1.8
171.10242	8.1
175.02298	1.9
186.53534	1.6
202.64038	1.6
211.13287	5.3
229.14513	3.5
229.76180	1.6
255.23274	58.0
256.23581	3.8
327.21753	6.5
343.80835	2.0
351.27731	1.7
663.85315	2.0
815.51648	100.0
816.52014	21.4
816.65820	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	813.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99176	18.5
71.57453	0.4
77.41112	0.5
78.95776	0.7
86.70887	0.6
87.00751	2.9
88.00277	3.3
88.98676	100.0
89.02316	12.8
89.99041	1.2
121.07994	0.5
173.93163	0.5
209.11769	2.2
242.65138	0.5
277.21658	1.4
309.84698	0.6
366.94910	0.6
668.86774	0.6
795.39661	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03297	3.6
59.01258	11.5
61.98696	13.5
71.01251	9.6
72.99178	4.4
75.77623	3.4
78.95777	5.5
83.04903	4.2
83.52325	3.1
85.02863	3.9
87.14688	3.0
89.02323	6.4
96.95902	8.9
98.19792	12.7
101.02328	9.6
109.06461	3.5
115.99795	3.9
116.92727	18.2
125.02373	21.9
125.09691	3.9
160.69342	3.1
161.04451	4.7
163.11188	9.3
165.12946	4.2
167.03526	3.1
169.01369	13.5
172.56601	3.8
185.11787	3.2
189.96738	3.0
191.14218	3.3
195.13727	5.1
197.11798	3.6
209.11771	100.0
210.12088	5.6
211.13335	4.6
223.13400	24.0
227.12885	16.7
235.08195	5.2
245.19142	7.6
253.09274	12.3
274.39709	3.6
276.47125	3.3
289.18164	25.7
307.19165	28.4
309.20801	4.3
397.13071	4.7
401.22849	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	811.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.6
62.11714	0.5
69.47098	0.5
70.97783	1.3
93.03339	4.7
108.02064	1.0
109.02874	1.0
119.04927	0.7
121.02843	6.2
122.03642	16.3
123.04465	1.1
124.01554	0.9
125.02330	1.3
132.02110	1.1
133.02873	2.7
134.03609	2.7
135.04454	0.8
136.01566	9.3
137.02368	2.6
138.03168	0.6
139.03889	1.3
145.02861	2.4
146.03635	2.7
147.04411	2.3
149.02348	30.2
149.06010	3.7
150.03134	100.0
151.03928	26.8
153.05432	0.7
161.02332	1.4
161.05994	1.2
162.03130	2.2
163.03931	2.2
164.04712	6.5
165.01878	1.6
165.05486	80.3
166.05855	3.4
167.03313	0.7
168.04211	0.8
175.03899	2.8
176.04739	0.9
177.05528	2.6
178.02498	0.6
179.03534	1.0
179.07072	6.8
180.04237	7.0
180.07355	0.8
181.04903	1.2
188.04686	1.0
189.05507	1.4
190.06233	2.8
191.03423	1.2
191.07048	2.4
193.04971	2.1
194.05762	2.2
195.06569	37.9
196.06892	1.7
205.08615	2.9
206.05821	0.9
207.06558	3.3
208.07294	1.3
215.62148	0.6
221.08253	0.8
223.06107	0.9
225.07608	0.9
251.09222	1.0
357.13483	0.8
369.12894	0.6
370.13602	1.1
373.12909	2.2
374.13538	0.8
375.14648	0.9
387.14124	0.8
389.16019	8.2
390.16690	1.3
419.16794	0.8
512.53619	0.6
514.92316	0.7
536.20520	0.7
537.21295	8.9
538.21576	1.7
552.19354	1.0
565.20752	0.7
567.22357	11.4
568.22302	1.6
585.23767	2.6
586.23773	0.8
597.23376	1.2
613.23224	0.9
614.23639	1.2
615.24615	3.2
715.27661	8.2
716.27783	1.6
745.28638	3.5
763.29443	2.4
764.29510	0.7
775.30334	0.7
793.31708	1.0
811.31458	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	2.1
59.00985	1.4
59.01254	13.1
61.98672	1.0
71.01260	7.1
72.99188	2.3
75.00749	2.0
83.01285	1.3
85.02816	6.7
87.00758	3.4
88.92357	1.0
88.98714	1.4
89.02332	3.1
93.03330	5.2
95.01290	1.5
96.95918	1.1
98.19746	1.9
99.00789	3.0
101.02340	2.5
109.02822	1.3
113.02363	6.7
116.82724	1.2
116.92799	2.4
117.03416	1.0
119.03395	1.2
119.04902	2.1
121.02854	9.5
122.03635	15.4
123.00797	1.5
123.04403	3.0
125.02348	7.9
129.01855	1.3
133.02847	4.0
134.03667	1.9
136.01593	3.5
137.02371	7.1
139.00308	1.1
145.02803	2.4
147.04391	2.0
149.02359	28.2
149.05969	1.7
150.03139	100.0
151.03957	7.6
153.01822	1.4
161.02357	2.2
162.03145	1.4
163.03929	4.1
164.01015	1.1
164.04695	5.0
165.01871	12.6
165.05493	97.8
165.65961	1.0
166.05835	3.7
169.01335	3.0
175.03935	7.9
176.04718	1.5
177.01910	1.7
177.05504	1.8
179.03456	3.5
179.07074	4.5
179.86310	1.0
180.04219	15.5
181.04880	2.8
187.11232	1.2
189.05489	3.1
190.06308	8.6
191.01878	1.4
191.03441	1.3
191.07033	4.6
192.04279	1.3
193.05011	5.2
194.05882	5.1
195.06569	77.9
196.06935	2.5
203.07314	1.3
205.08696	7.2
205.12274	1.9
207.06595	3.6
208.07394	3.5
209.08040	1.1
209.11778	2.4
225.07672	8.0
249.06139	1.3
267.07187	5.1
269.08496	1.1
278.05734	1.0
285.07578	1.2
285.11166	1.6
289.06973	1.2
299.09357	1.7
303.05133	1.1
309.08240	4.6
329.10147	3.0
341.10257	3.2
343.12097	2.0
344.12677	4.7
356.12668	1.9
357.13452	1.5
358.13840	2.4
359.15005	34.9
360.15085	2.5
369.13177	2.1
370.13376	1.4
371.14917	4.5
373.12878	11.6
374.13528	1.5
387.14221	1.1
389.16046	9.7
421.14859	3.3
423.38034	1.2
497.20227	2.4
517.19403	9.1
518.20282	1.1
537.21838	5.7
559.20239	2.7
567.22327	13.3
568.23010	1.7
585.23828	1.7
615.24347	3.5
639.23145	1.2
659.17987	1.2
669.25830	1.1
692.27838	1.1
751.86584	1.3
811.29211	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	10.1
59.01253	98.2
61.98684	6.0
68.99687	2.8
69.03327	3.4
69.34100	6.0
69.34505	21.5
71.01255	43.1
72.99193	21.7
73.02821	6.1
75.00745	25.1
83.01265	3.0
83.04903	4.5
85.02831	51.9
87.00745	18.3
89.02314	15.2
93.31480	2.5
95.01264	10.2
96.95895	3.1
99.00769	24.1
101.02289	6.1
103.00211	5.3
104.13451	2.4
107.04919	2.7
108.02054	2.9
109.02829	4.3
110.30708	2.8
111.00764	3.5
111.11491	2.4
113.02336	65.3
114.12585	2.3
115.00294	5.2
117.01834	4.3
119.04921	70.6
121.02836	7.2
123.04420	4.4
125.02330	21.4
129.01825	5.2
137.02330	4.5
142.11133	2.5
145.02882	3.8
147.04407	4.4
148.05215	18.9
149.04424	3.1
150.03110	6.1
151.03987	5.8
157.01331	2.9
161.02310	3.9
161.06001	3.3
161.09593	6.7
161.13268	9.3
163.03928	36.7
163.07550	26.9
163.11188	3.0
165.01884	2.9
165.05473	9.3
169.01288	13.8
175.02441	7.2
177.01788	2.8
179.03311	3.7
180.04094	3.9
187.11253	11.2
189.05551	4.5
189.09146	5.9
195.06543	7.5
201.09627	3.2
201.11232	20.2
202.11620	6.7
205.07100	9.1
205.12257	19.7
207.04993	3.0
207.10254	3.8
209.11771	10.7
210.12119	3.3
215.03455	2.7
223.13423	3.0
225.07634	4.5
232.12224	2.5
249.06119	25.8
256.61856	2.8
267.07208	78.3
279.06796	3.8
283.69543	2.6
289.07269	2.9
291.07080	6.1
300.02948	3.0
309.08234	35.2
310.08173	3.3
323.05603	3.0
323.09293	3.2
338.08203	4.1
341.10193	3.1
353.10254	11.5
359.14847	2.9
371.11331	5.5
371.15726	2.6
393.18875	4.6
398.14227	4.4
437.18240	4.4
439.12430	10.8
455.19034	14.2
457.13406	18.2
497.20413	37.7
498.20557	4.5
499.18060	2.7
517.19269	100.0
518.19684	11.6
541.18988	12.1
559.20209	42.1
560.20795	4.1
585.17957	17.8
659.17334	7.3
707.25922	7.0
767.27515	6.1
781.23376	4.0
793.23572	6.8
811.26624	11.4
818.72009	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	813.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99179	18.5
71.58257	0.6
71.58627	0.6
74.09955	0.4
78.95782	0.9
85.16402	0.4
86.82998	0.4
87.00741	2.2
88.00286	3.6
88.98680	100.0
89.02314	13.2
89.99017	1.1
101.73705	0.4
135.32133	0.4
209.11797	2.3
277.21686	1.5
439.28708	0.5
795.39020	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.1
69.63696	6.6
70.69041	0.8
93.55099	0.9
107.01278	1.6
125.02329	6.1
127.71624	1.0
133.01291	1.8
137.18828	0.9
149.18427	1.1
151.00246	2.8
154.28783	0.9
159.04384	1.2
161.02348	1.1
167.03317	0.9
169.01369	3.1
177.01872	1.2
178.99814	2.1
183.04442	2.4
185.05907	1.2
187.03975	1.2
211.03952	2.8
211.07295	0.9
220.76712	0.9
227.03473	18.6
239.03316	0.9
255.02968	57.1
256.03528	6.4
257.04535	1.0
283.02484	48.7
284.03253	83.1
285.03876	19.9
303.04813	1.2
339.20444	1.1
355.60101	1.2
405.80908	1.0
430.09091	5.3
621.14587	100.0
622.14941	14.2
767.20343	5.6
800.06354	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.5
59.01256	2.3
62.22869	0.4
62.84304	0.3
69.53102	2.9
71.01237	0.4
72.01134	0.3
85.02820	0.4
104.03365	0.3
113.02299	0.4
119.04932	0.5
121.02833	1.8
123.00758	0.7
124.01553	1.4
125.02333	7.2
135.04433	2.4
137.02341	0.6
138.53804	0.3
148.01573	1.0
149.02345	4.2
149.05983	0.4
150.03033	0.3
161.06027	0.7
163.03938	3.9
164.04692	4.2
165.01866	0.5
165.05411	0.5
182.05214	0.3
195.06584	0.5
225.05568	0.5
229.08597	0.4
239.03964	0.4
242.05762	0.5
253.05087	2.5
254.05817	1.4
255.03151	0.6
267.06854	0.5
268.07352	0.5
269.08197	25.8
270.05325	8.6
270.08444	2.0
271.05673	0.6
283.09509	0.5
285.07672	24.5
286.08127	1.9
291.23685	0.3
300.10031	21.3
301.10379	1.9
315.12390	100.0
316.09119	0.6
316.12711	9.9
441.14853	0.3
459.16592	7.6
460.17004	1.0
477.17584	3.8
478.18613	0.4
501.17636	3.6
502.18094	0.5
519.18738	11.7
520.19037	1.5
561.20013	1.3
703.04907	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00214	1.4
69.63557	6.9
83.45148	0.8
83.45750	1.0
83.53208	1.1
85.92265	0.8
85.92872	0.9
105.42328	1.0
107.01311	1.1
125.02323	3.6
125.31671	0.9
127.35162	0.8
136.55725	0.9
151.00266	2.2
167.03418	1.3
169.01273	2.2
177.01866	2.2
183.04463	2.5
185.06187	1.1
199.03752	1.1
211.03946	2.6
213.01714	1.0
227.03439	21.0
228.03818	1.5
229.04874	1.2
243.03072	1.3
250.23770	0.9
255.02974	62.2
256.03595	7.1
257.04358	1.3
283.02469	57.2
284.03247	54.6
285.03955	15.6
325.30420	0.9
351.47845	1.0
430.08914	9.3
431.09708	2.2
621.14581	100.0
622.14874	11.0
767.19824	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	809.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	10.9
69.47903	9.9
69.48328	19.5
70.10398	2.6
71.01270	9.5
85.02827	5.7
88.98683	3.7
89.02320	3.4
96.95849	6.7
97.06454	5.1
101.02328	5.8
116.92764	9.4
125.02337	15.3
137.02356	3.8
161.04448	3.4
169.01375	6.2
171.10193	20.2
193.08080	3.0
197.11798	8.1
201.11395	5.6
209.11786	100.0
209.13780	6.1
210.12120	6.6
211.13293	9.7
227.12898	28.5
235.08144	17.7
253.09210	29.2
264.16068	4.3
282.17105	6.3
291.19742	6.2
309.20673	19.4
327.21790	87.4
328.22067	8.1
445.20682	11.4
519.33362	5.0
545.29919	6.1
563.30634	11.0
646.21136	3.4
800.70074	3.6
809.41321	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	2.2
57.17069	1.4
59.01253	21.9
69.03323	2.8
71.01250	6.4
71.16231	1.2
71.16560	2.1
83.01265	2.7
85.02804	2.3
87.00761	1.3
89.02309	4.8
93.03326	1.3
97.02832	1.3
97.06470	3.2
101.02313	5.7
113.02335	2.7
116.92746	3.5
119.03429	1.9
121.06499	1.3
123.04438	3.1
125.02332	4.9
125.09611	3.6
135.08038	1.7
137.09612	3.3
142.48715	1.4
145.04907	1.8
161.04488	2.6
163.11200	3.8
167.10670	3.4
169.01360	1.9
177.12794	1.6
179.10719	1.5
179.14342	4.2
185.11732	4.0
191.14407	5.8
195.13832	12.5
205.12296	9.5
207.10152	2.3
209.11787	12.1
211.13377	3.6
223.13351	100.0
224.13719	3.4
235.08144	4.2
237.11252	2.1
245.19073	8.6
253.09265	13.2
263.20178	2.5
277.21646	1.6
289.18094	49.3
290.18488	3.5
307.19165	41.2
308.19330	2.6
351.63983	1.2
415.25049	2.2
459.22360	5.5
477.30432	1.7
495.30750	2.4
525.26892	2.1
597.17706	1.2
633.32843	3.7
651.33765	2.5
671.36938	1.4
731.40375	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.5421
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.9
57.68083	0.4
59.01268	2.2
65.99455	0.4
71.01259	1.2
71.03726	0.4
88.46494	0.5
96.95874	0.8
97.06481	0.6
98.20560	1.0
101.02291	0.6
116.46148	0.5
125.02370	1.8
125.09615	0.7
130.25256	0.5
169.01355	0.9
171.10185	19.9
172.10573	1.3
183.13820	1.0
185.11775	0.6
195.13835	0.8
223.13431	2.2
223.17006	0.4
229.49126	0.4
235.07968	0.6
253.09209	2.7
277.21735	41.9
278.22061	3.6
289.18057	0.8
293.21051	0.8
295.22791	100.0
296.23087	7.6
307.19135	0.9
681.84644	0.5
820.25549	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.5288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.9
59.01242	1.4
63.17924	0.5
71.01245	1.0
78.95775	10.2
83.05520	0.5
86.82834	0.5
93.06971	1.0
97.06468	2.0
100.48746	0.6
111.08032	0.5
121.10121	8.6
123.08101	0.9
125.02343	1.9
125.09615	6.0
141.12767	0.8
147.08090	0.6
151.11086	0.6
152.99507	1.8
168.04268	1.1
169.01376	0.6
185.11763	11.9
197.11748	3.5
209.11769	2.2
211.13286	2.2
223.13373	3.0
224.06898	3.5
224.13791	0.8
239.12990	0.6
242.07831	0.7
247.20667	0.9
253.09201	0.5
279.23294	37.7
280.23688	2.7
289.18045	0.9
291.19659	100.0
292.19995	7.7
293.21097	1.3
307.19226	1.0
367.16068	0.6
504.30994	29.2
505.31403	3.5
628.11749	0.6
634.54547	0.6
760.57001	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
61.36998	1.6
63.02263	3.6
63.12749	1.8
64.87119	1.5
65.00191	3.4
66.50500	1.7
67.15965	1.5
70.74729	3.4
70.75084	2.4
71.01254	3.6
79.41537	1.7
80.23038	1.9
83.01249	3.3
88.54685	1.5
98.53042	1.5
107.01300	8.1
107.01917	1.8
108.31075	1.6
109.02806	4.9
121.02805	4.7
125.02275	2.3
139.00252	1.7
145.11342	1.7
150.96516	1.9
151.00282	29.4
153.01811	1.9
163.00272	4.7
168.00580	1.8
169.01295	4.1
173.96608	1.7
174.86032	1.7
175.48819	1.6
178.99802	20.5
194.99355	1.7
243.03026	2.2
245.04478	2.9
245.35541	1.7
255.02965	4.8
273.04034	2.1
301.03531	100.0
302.03891	7.8
317.02966	7.1
333.02518	2.8
390.79883	2.0
477.06757	55.2
478.07034	6.4
493.05829	2.1
545.10999	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	809.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03144	5.3
59.01256	6.8
61.98697	7.0
64.58199	4.8
70.77624	4.5
71.01253	10.8
71.59880	7.1
71.60300	6.8
75.00731	6.8
78.95762	7.3
80.62158	5.1
87.18687	5.1
96.95882	29.1
100.68025	6.0
101.81987	5.4
111.08076	7.9
116.92736	22.7
125.02333	22.8
137.02361	5.9
169.01314	9.4
171.10216	5.0
196.69846	4.9
197.11839	27.9
201.11284	62.8
209.11771	100.0
210.12062	12.2
211.13354	14.7
213.05937	4.4
227.12790	25.0
235.08173	18.7
253.09315	51.2
291.19669	23.3
309.20737	89.5
310.21228	6.9
389.93289	4.8
418.72153	5.8
437.20197	8.2
445.20807	10.2
462.15851	5.4
490.48941	6.1
499.71472	5.9
509.22498	5.6
531.95471	5.5
545.29871	11.2
765.62042	6.2
809.39954	35.8
844.14099	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	809.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	2.0
59.27289	1.0
69.43777	9.3
71.07987	1.1
79.08770	1.1
93.03326	1.9
95.91653	1.2
96.95870	2.6
98.19776	2.2
121.02832	4.2
122.03606	6.4
125.02364	2.3
132.02007	1.8
136.01567	1.5
137.02351	5.4
146.03677	1.5
149.02327	17.1
149.05922	1.4
150.03128	42.3
150.04323	2.3
151.03822	1.7
160.01543	3.6
163.03876	1.9
163.76138	1.0
164.04700	3.2
165.01830	22.6
165.04092	2.6
165.05492	39.2
170.60904	1.3
175.03926	2.7
177.01814	1.4
177.05396	1.5
179.03424	5.8
179.07054	5.1
180.04178	15.0
190.06139	2.7
194.05746	2.1
195.06555	62.1
196.06819	2.9
197.24515	1.4
203.06918	1.8
207.06573	1.7
210.05251	2.0
222.05142	2.1
222.07028	1.3
225.05466	1.6
225.07596	16.2
227.07138	1.4
237.05476	1.6
238.06264	2.7
239.07002	1.9
240.07916	3.9
243.06538	1.7
244.07362	1.7
250.06383	1.5
253.04961	2.1
255.06378	1.4
255.10356	1.5
256.07144	1.8
259.06165	1.7
266.05807	1.4
267.06577	3.2
267.09656	1.1
268.04535	1.9
268.07397	13.6
279.06577	2.1
280.07312	6.0
281.08051	1.9
282.05508	1.6
283.06104	4.6
283.09723	9.7
284.06845	5.4
289.07196	1.5
293.08063	4.4
294.05270	2.4
295.05991	2.8
296.06842	6.3
297.07568	4.8
299.09213	5.6
307.05997	2.1
308.06943	8.7
308.10367	1.9
309.07693	8.2
310.08249	1.5
311.05771	2.3
311.09250	4.8
312.06415	13.1
312.09766	2.4
313.10678	1.8
322.08389	6.1
323.09219	18.6
324.06320	8.3
324.09937	12.0
325.10583	1.9
326.07904	3.8
326.11572	1.4
327.08749	34.8
327.12268	1.8
328.09146	3.1
337.10675	1.8
338.11496	7.9
339.08722	55.5
339.12357	7.8
340.08920	3.0
341.10281	3.6
342.11072	34.0
343.11600	5.9
353.10263	1.7
354.10977	14.3
355.11746	3.3
356.12531	1.6
357.13412	98.5
358.13959	6.5
369.13397	100.0
370.13705	6.7
373.08463	2.3
373.12918	28.8
373.17679	1.8
374.13254	1.7
403.13821	1.6
421.14926	10.0
565.20648	8.3
613.23077	3.6
713.26105	2.6
731.27161	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	809.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	2.4
60.00396	0.6
69.31617	6.1
71.01273	1.9
75.00756	0.9
85.02814	0.9
89.02360	0.6
93.03326	4.6
95.01264	1.0
96.95892	1.0
98.20643	0.7
108.02071	0.8
109.02850	2.7
113.02334	1.1
116.92746	1.9
117.06844	0.5
121.02848	6.9
122.03632	17.0
123.00818	1.0
123.04418	2.1
124.01494	1.0
125.02361	3.0
132.02118	0.7
133.02849	2.1
134.03658	2.5
135.04413	2.0
136.01564	10.4
137.02328	4.6
138.03096	1.2
145.02849	1.0
146.03642	2.0
147.04391	1.4
149.02353	32.6
149.05977	3.2
150.03134	100.0
151.00252	2.9
151.03917	21.2
152.01041	1.4
152.04607	1.7
161.02348	2.1
162.03108	1.6
163.03876	0.6
164.04691	7.2
165.01852	4.0
165.05487	92.4
166.02621	8.5
166.05798	3.0
167.03416	1.4
169.01353	1.2
175.03891	1.1
177.01823	1.2
177.05540	3.1
178.02724	0.9
179.03452	1.6
179.05644	0.9
179.07080	8.3
180.04213	8.3
181.04955	11.0
187.03987	0.7
192.04161	0.9
192.51947	0.6
194.05936	0.7
195.06567	53.9
196.06900	1.4
197.73544	0.7
202.06174	1.0
203.03394	0.6
205.04961	2.9
206.05792	0.7
207.06551	1.2
209.11687	1.4
219.06488	2.0
220.07300	1.9
225.07626	1.8
233.08032	0.6
248.80202	0.7
297.07852	0.6
303.08878	0.7
348.59543	0.6
357.09576	0.8
357.13489	1.2
369.13654	0.9
373.12988	5.9
387.14655	7.1
403.14066	1.5
417.15598	9.2
421.14673	0.8
471.98926	0.7
535.15125	0.8
550.18121	1.1
564.19775	1.0
565.20715	19.8
566.21179	2.2
595.21503	1.9
613.22729	3.9
619.22083	1.1
667.23322	0.9
713.25861	10.0
743.26874	3.2
744.26709	0.7
761.27155	1.3
809.29675	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	809.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	0.5
69.61096	1.2
69.61523	1.0
71.01260	0.4
75.84567	0.3
76.76019	0.3
83.04023	0.4
93.03346	4.1
98.19769	0.4
102.46767	0.3
105.03366	0.3
108.02047	0.5
109.02866	1.0
121.02850	5.0
122.03627	16.4
123.00764	0.7
123.04454	0.6
124.01569	1.0
125.02369	0.4
133.02835	1.7
134.03653	1.8
135.04410	1.2
136.01569	4.8
137.02351	3.5
145.02881	0.4
146.03618	0.8
149.02348	21.9
149.06003	1.2
150.03131	99.3
151.00273	1.3
151.03934	8.5
152.01051	0.5
152.04716	0.6
161.02328	0.6
162.03174	1.0
163.03935	0.5
164.04704	5.0
164.78404	0.3
165.01834	3.0
165.05486	100.0
166.02655	5.7
166.05792	3.7
167.03394	1.0
175.03809	0.4
177.01825	0.8
177.05482	1.2
179.03409	1.2
179.07060	5.5
180.04198	7.9
181.04971	7.8
184.03592	0.4
187.04028	0.5
190.06241	0.4
191.03568	0.4
193.05037	0.4
195.06558	67.9
196.06868	3.0
205.04985	1.5
219.06567	0.8
220.07367	0.8
225.07570	1.7
265.93268	0.3
299.50632	0.3
329.10147	0.4
357.09595	0.5
357.13446	0.5
372.12100	0.4
373.12759	1.4
387.14636	5.9
402.13419	0.5
403.13654	0.5
417.15533	7.4
418.15762	0.7
535.19525	0.6
565.20789	11.9
566.21338	2.1
595.22290	1.5
613.22522	2.8
619.21783	0.4
713.25946	1.0
743.27161	0.8
761.28467	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	1.3
60.63855	0.9
64.14471	1.0
67.01745	0.9
85.76028	0.8
93.03329	2.8
96.95889	1.1
107.59314	0.9
121.02854	4.9
122.02792	1.4
122.03623	10.6
123.00780	1.2
123.04377	1.8
125.02316	2.1
126.59290	1.0
132.02107	1.2
133.02859	1.1
135.04407	0.9
136.01566	1.8
137.02353	5.8
149.02339	13.2
150.03133	58.7
151.03999	1.1
160.01573	2.9
161.02333	1.8
164.04681	4.2
165.01845	29.0
165.05484	53.8
166.05820	1.7
175.03874	2.8
177.05516	3.5
178.02565	1.5
179.03442	7.7
179.07028	3.6
180.04205	24.2
181.04788	1.0
190.06223	1.9
193.04961	1.2
194.05731	2.1
195.06560	78.3
196.06865	3.0
199.32263	1.1
203.07121	1.4
209.08041	1.7
210.05280	3.8
220.07358	1.6
222.05182	2.5
223.06070	1.3
225.05406	1.5
225.07637	27.1
226.07986	1.5
233.61772	1.1
237.05469	1.1
237.14766	1.4
238.06310	2.1
239.06981	1.9
240.07936	2.3
243.06754	1.9
250.06355	1.2
251.07162	1.3
253.08752	1.2
255.10378	1.8
256.07291	1.7
267.06516	3.1
268.07391	12.0
278.05933	1.5
279.06570	2.8
280.07516	5.1
281.04901	1.0
281.07965	2.1
281.13867	2.2
283.06464	1.6
283.09711	8.8
284.06836	3.4
284.09854	1.0
285.07574	1.1
293.08075	1.6
294.05362	1.7
294.08755	1.1
295.06198	2.3
296.06772	6.2
297.07687	3.9
299.09250	4.0
307.06107	2.2
308.06873	7.6
309.07718	8.4
311.05634	2.2
311.09232	4.5
312.06387	9.4
312.09741	2.2
313.10568	1.1
321.07846	1.3
322.08392	5.4
323.09207	16.1
324.06290	7.2
324.09946	10.4
325.10721	1.5
326.08057	1.9
327.08710	32.4
327.12128	1.6
328.08994	2.7
337.10776	2.9
338.11746	5.4
339.08725	53.0
339.12341	5.9
340.09061	3.8
341.10220	4.0
342.11075	32.6
343.11963	4.5
353.10297	1.9
354.11063	14.9
355.11816	2.7
356.12357	2.0
357.13422	94.9
358.13773	6.5
368.79605	1.1
369.13403	100.0
370.13715	8.4
373.12912	7.3
421.14841	4.4
427.98102	1.1
535.20020	1.1
565.20764	14.8
566.21094	2.2
613.23187	5.6
701.24762	1.4
713.26001	1.6
731.26581	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03346	22.2
58.43536	21.7
59.01246	29.0
61.98678	20.2
71.01273	31.7
78.95776	55.8
89.02278	19.3
95.06481	19.6
97.89439	18.0
115.48028	17.8
125.02345	100.0
149.13257	19.6
152.99585	25.5
168.66759	18.1
169.01321	61.1
171.10132	40.5
209.11787	37.9
211.13318	80.2
230.00418	21.2
253.09343	34.5
291.19565	32.4
293.21313	24.9
301.03726	24.9
309.20670	36.7
591.96667	22.3
807.42505	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4752
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.8
58.00468	1.1
59.01254	18.7
61.98685	1.5
69.03327	1.1
71.01262	19.7
72.99163	1.4
73.02821	2.5
78.64909	0.6
78.95761	0.8
80.96405	0.9
81.03309	1.1
83.01245	2.0
85.02831	4.5
87.00755	6.7
88.28447	0.7
88.58054	0.8
89.02320	12.2
90.14287	0.7
95.01252	1.1
96.88399	0.7
97.02834	3.1
99.00765	0.9
101.02325	15.7
113.02346	8.3
119.03404	3.0
125.02333	8.1
125.09609	1.0
127.11205	2.0
133.04930	1.1
143.03407	3.4
161.04469	4.2
171.10187	100.0
172.10512	3.0
179.05498	3.1
189.41634	0.8
195.13840	2.4
199.06085	1.0
217.07062	1.2
221.06589	1.5
229.47766	1.1
235.08142	5.4
253.09369	3.6
255.23282	66.5
256.23611	5.4
277.21729	1.7
287.07675	3.0
293.21112	6.6
293.39999	0.8
295.22842	9.9
305.08817	2.6
323.09729	1.0
379.12463	11.9
397.13516	40.2
398.13794	3.4
415.14590	8.1
653.37238	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.6
68.99672	0.5
70.86475	1.1
70.86812	0.8
71.01256	0.7
93.03345	4.5
95.01224	0.5
96.95900	0.8
108.02057	1.8
121.02827	5.1
122.03634	15.7
123.00794	0.9
123.04383	1.7
124.01569	0.9
125.02294	0.6
133.02849	1.9
135.04433	0.9
136.01573	2.3
137.02362	1.3
138.03085	1.2
146.03647	1.0
149.02348	20.3
149.05937	0.8
150.03136	100.0
151.00270	1.2
151.03786	4.3
161.02367	0.6
162.03104	0.9
163.03801	0.5
164.04665	4.5
165.05489	95.9
166.02609	3.2
166.05815	3.8
177.05446	1.3
178.02663	0.6
179.07089	4.6
180.04216	6.5
181.04982	5.9
193.03339	0.5
193.05017	2.1
194.05412	1.0
195.06575	73.7
196.06886	2.6
205.04973	0.8
219.06677	0.6
220.07306	0.7
292.69885	0.5
373.13110	0.5
387.14578	2.1
417.15500	9.1
457.31717	0.7
565.20551	2.5
595.21783	0.6
612.21271	0.7
613.23187	2.7
723.50757	0.6
809.30511	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5009
Annotation	Unknow
Peak:m/z	Relative Intensity
67.57613	0.2
69.27350	1.4
69.27778	0.7
78.95789	1.4
79.95639	0.6
96.95928	0.2
98.20580	0.4
109.61713	0.2
119.04937	0.5
152.99527	0.6
158.77762	0.2
160.14763	0.2
170.00403	0.9
183.01132	28.2
184.01752	1.7
197.02698	0.5
211.04350	0.2
212.05110	0.2
216.00922	1.0
223.13228	0.2
225.05911	0.6
239.07385	0.6
311.16852	100.0
312.17169	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	807.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	14.9
61.69733	8.1
69.19184	8.5
71.01256	10.9
74.70252	7.9
87.04384	10.9
101.02316	10.5
113.02303	9.7
125.02370	23.6
126.65329	10.7
131.03375	17.1
169.01265	11.9
209.11757	100.0
227.12735	17.2
230.04388	10.0
253.09126	15.9
293.21188	67.0
413.58405	9.2
436.18561	11.2
445.21021	11.9
570.25244	9.8
807.42828	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.3
58.00481	0.2
59.01250	3.2
61.98702	0.2
69.03320	0.3
71.01257	3.1
72.99180	0.2
73.02837	0.3
75.00704	0.1
78.95774	0.5
83.01254	0.2
83.04919	0.2
85.02847	0.6
87.00753	0.5
89.02320	2.1
93.50074	0.1
95.01254	0.2
95.04896	0.2
97.02837	0.2
101.02328	2.4
111.08066	0.4
113.02322	1.2
113.09564	0.3
119.03439	0.7
121.10127	0.4
123.65923	0.1
131.03386	0.1
141.09012	0.1
143.03421	0.3
143.98831	0.1
152.99518	0.3
161.04492	1.5
161.13097	0.2
167.10678	0.4
171.10205	1.9
177.12791	0.3
179.05569	0.4
179.10698	0.2
179.14313	0.7
181.12225	0.3
185.11610	0.2
195.13847	8.8
196.14316	0.8
205.12262	0.7
205.15916	0.5
211.13367	0.7
223.13356	6.1
224.13654	0.3
225.14813	0.2
228.13689	0.9
229.40675	0.2
231.21130	0.5
232.21306	0.1
235.08212	0.8
239.12892	0.4
249.22160	0.3
253.09277	14.7
254.09637	0.6
256.13171	1.5
257.13568	0.1
257.19247	0.2
265.21744	0.5
275.20160	7.3
276.20517	0.6
277.21735	0.2
278.21936	0.1
291.19638	0.3
293.21228	100.0
294.21573	6.7
309.20682	0.2
425.58926	0.1
444.93213	0.1
461.22504	0.2
492.22293	0.4
529.30414	0.6
561.88782	0.1
569.42322	1.2
570.42914	0.2
693.24377	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5112
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.0
59.01239	1.2
59.82340	0.3
61.98685	0.3
70.15284	0.5
70.15681	0.7
71.01259	1.4
73.35509	0.3
78.95747	0.7
79.95612	0.8
80.95915	0.3
80.96392	5.8
83.04886	0.4
84.93693	0.3
85.02811	0.6
85.66287	0.3
86.53091	0.3
89.02325	0.5
93.06958	0.8
94.97968	1.3
95.04885	0.3
97.06474	1.1
101.02333	0.7
121.10125	7.6
123.08014	0.7
125.02352	0.5
125.09623	4.5
134.97449	0.5
141.12787	0.6
147.07999	0.5
148.99046	0.4
152.98506	0.4
164.98572	0.9
171.10170	0.7
185.11772	10.6
186.12146	0.6
197.11804	2.8
209.11833	1.3
211.13268	1.7
223.13376	0.5
225.00722	1.3
234.72960	0.3
235.08086	0.4
247.13425	0.5
247.20612	0.5
253.09271	2.1
273.18677	1.7
277.21735	13.2
278.22198	0.6
291.19662	100.0
292.20010	6.6
404.57608	0.3
449.17249	0.3
555.15295	0.3
563.78601	0.3
805.40118	4.6
805.52246	0.3
806.40875	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5107
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05280	0.2
57.03308	1.0
59.01246	2.0
60.60399	0.2
61.98682	0.5
69.03311	0.2
71.01256	0.7
71.04893	0.6
75.85406	0.2
78.95775	0.4
78.98486	0.2
80.96377	1.8
83.04893	0.7
85.06432	0.2
89.02312	0.3
93.03289	0.4
94.97972	0.5
95.04924	0.4
96.99229	0.2
97.06461	0.4
101.02339	0.3
103.55396	0.2
109.06481	0.3
111.08046	7.9
113.02358	0.2
113.09589	0.5
121.02838	0.2
122.42368	0.2
123.08113	0.2
125.02322	0.4
135.11729	0.2
137.09615	0.8
139.11191	0.4
141.09132	0.2
149.09612	0.6
151.11224	0.2
164.98540	0.3
165.12802	0.2
167.10707	2.1
177.12805	1.5
179.10716	1.6
179.14336	0.2
193.15906	0.3
195.12048	0.3
195.13855	6.3
196.14142	0.3
203.14421	0.3
223.13304	0.3
225.00684	0.5
235.16898	0.2
247.20673	2.3
253.09322	0.9
273.18555	1.2
277.21719	5.3
278.22003	0.5
291.19656	100.0
292.19998	7.8
380.58945	0.2
420.27365	0.2
443.00745	0.2
805.40552	1.7
806.41003	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.4595
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94424	2.4
59.01265	18.4
59.75040	2.7
65.82716	2.6
71.01248	22.1
71.59222	3.9
71.59612	3.6
72.99182	2.8
73.02821	4.4
83.04898	5.0
85.02820	10.0
87.00749	5.3
89.02313	10.3
95.04948	2.8
96.95898	43.4
97.02833	4.1
97.06457	4.3
98.95473	7.1
99.00745	3.8
101.02317	10.4
109.02836	4.1
111.12061	3.0
113.02317	9.2
116.92764	16.7
121.02839	3.2
123.04362	3.0
125.02342	17.7
126.97767	2.6
127.11097	2.7
137.02365	4.0
140.98412	2.8
143.54662	2.8
149.04413	3.0
153.43556	3.1
163.11130	5.1
165.12714	3.6
169.01332	5.5
169.12300	18.0
171.10194	26.8
197.11780	32.0
199.13332	11.1
201.11244	18.7
209.11786	100.0
210.12067	6.4
211.13333	12.8
227.12854	35.1
229.14420	8.6
235.08197	14.6
253.09259	27.5
291.19635	4.1
309.20657	10.1
327.21805	57.6
341.23331	32.8
389.23730	3.1
397.13617	13.4
428.71936	3.0
524.42584	2.8
769.36517	5.3
787.39154	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	805.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	3.9
59.01257	19.6
64.73719	1.4
66.13686	1.8
67.01763	1.5
71.01256	22.1
71.59235	2.8
72.99181	5.5
73.02808	1.6
75.00739	13.4
78.95762	1.4
79.54837	1.3
81.03322	1.9
83.01244	3.3
85.02814	17.2
86.03166	1.8
87.00755	68.4
89.02309	10.7
95.01262	3.0
96.95886	3.9
99.00739	4.9
101.02312	6.4
109.02858	8.3
111.00731	1.7
113.02335	14.1
113.94337	1.5
115.00267	2.7
119.03445	2.1
121.02878	2.0
123.00773	3.6
123.04385	5.3
125.02344	14.0
132.02905	2.5
135.04439	2.7
136.01555	2.5
137.02341	28.1
138.03120	1.8
149.02327	6.6
150.03111	5.2
151.00270	12.0
151.03963	10.0
152.01050	2.2
152.04710	2.7
153.01921	2.0
157.28271	1.4
159.04478	1.9
160.50435	1.5
161.02328	3.8
163.03894	4.3
164.01048	2.0
165.01846	100.0
165.05486	7.0
165.09116	6.2
166.02620	39.8
167.03410	7.8
169.01331	7.2
175.02478	1.5
175.03935	2.2
177.01813	9.0
177.05428	1.6
178.06581	1.4
179.03419	28.9
180.04198	53.2
181.04987	53.1
182.05266	3.0
184.03566	1.5
187.03967	3.6
189.01862	2.7
191.03392	2.7
192.04170	3.6
193.04916	3.1
194.05727	4.2
195.02879	3.2
195.06560	69.1
196.06940	4.5
198.40021	1.7
203.03435	7.7
205.05081	1.9
207.06572	6.8
209.08177	14.2
210.05258	12.2
218.05823	5.5
220.07283	2.1
225.07639	43.2
226.08008	2.3
233.08133	11.1
234.08525	2.1
251.09132	3.4
289.07120	1.9
313.06763	10.7
345.09711	1.7
371.13300	4.8
387.10944	8.9
402.13107	6.7
403.14145	2.0
417.10120	3.0
417.15552	36.0
418.16153	3.4
461.14832	3.8
477.17737	10.9
491.19324	19.2
505.17041	10.5
521.21564	1.6
565.16736	2.4
574.24951	1.4
580.19543	2.9
595.21912	12.0
611.10193	1.6
643.19843	2.1
669.25574	26.0
670.25714	6.8
717.27441	20.4
718.28076	5.8
754.31573	1.7
805.27197	8.7
805.40973	28.6
806.26758	2.5
806.39172	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	805.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78842	3.3
57.03323	15.3
59.01252	46.4
69.61703	28.7
70.94009	3.3
71.01263	47.6
72.99192	14.4
73.02809	6.7
74.90925	4.3
75.00753	38.1
76.07115	3.0
82.19502	4.2
83.01273	5.6
85.02821	52.2
87.00765	13.8
89.02320	18.1
95.01267	7.5
96.95883	36.7
97.02837	4.9
99.00749	16.4
101.02318	23.6
109.47366	3.2
111.00826	3.6
113.02338	44.4
113.03128	3.7
113.03472	5.6
115.00253	6.6
117.01865	4.9
121.02834	3.8
123.04428	3.3
123.70449	3.6
125.02352	35.3
129.01807	8.5
130.08611	4.5
137.02347	12.5
138.03104	8.7
145.02834	3.7
149.02344	13.3
150.03154	7.2
151.03932	6.9
153.01624	3.7
154.55392	3.4
161.02367	8.5
162.03145	4.1
165.01820	4.0
165.05495	6.7
167.03363	6.9
169.01370	18.0
175.02435	5.9
177.01816	8.4
177.05594	3.4
177.62425	3.6
181.05000	4.7
197.11806	4.6
205.03479	4.6
209.11798	14.1
245.45796	3.4
257.98056	3.6
303.08649	10.8
304.75461	3.6
323.57220	3.7
327.61960	3.6
341.14444	3.3
341.41830	4.0
604.18518	3.9
683.93896	3.8
761.38007	13.5
805.25488	5.5
805.39203	100.0
806.39508	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	805.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.9
58.00472	6.0
59.01252	100.0
71.01255	74.6
72.99193	7.7
73.02817	1.8
83.01277	3.6
85.02837	14.2
87.00754	8.5
89.02319	92.4
95.01259	7.3
96.95860	2.9
101.02325	37.7
101.83139	1.2
104.27675	1.1
109.02805	1.4
109.48557	1.2
113.02338	29.8
119.03401	35.4
121.02855	2.9
123.00821	2.0
125.02348	7.4
131.03398	4.3
137.02361	7.2
143.03423	5.9
149.02368	10.2
149.04457	4.3
151.00272	14.2
151.03900	3.3
161.02275	2.7
161.04460	5.0
163.03833	1.2
165.01843	4.0
165.05522	1.5
166.02638	34.0
167.03291	3.0
169.01312	2.5
174.73595	1.4
175.03912	7.2
176.01079	2.5
177.01855	50.5
178.02231	2.3
179.05557	13.6
180.04178	1.8
181.04985	36.6
191.01712	1.4
191.03374	3.5
192.04216	36.3
193.04681	2.3
195.02899	1.3
195.06558	3.1
205.05176	1.2
207.06567	29.6
208.06903	1.5
210.05272	2.6
224.06677	1.3
225.07571	7.4
229.26953	1.4
387.11118	4.6
402.13107	1.8
416.14734	3.9
417.15472	15.9
607.21906	12.3
608.22418	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	4.7
59.01254	25.0
67.01744	2.0
67.12424	1.9
71.01260	22.4
71.59743	2.1
71.60164	2.9
72.99184	3.7
75.00745	7.6
81.03365	1.8
83.01279	2.4
85.02390	1.9
85.02824	11.2
87.00759	100.0
88.01092	2.7
89.02316	14.7
93.03338	2.2
95.01289	3.9
96.95909	7.8
101.02306	7.2
108.02052	3.4
109.02834	10.3
113.02333	10.4
117.03273	2.6
119.03412	6.2
121.02836	5.1
122.03636	2.3
123.00771	5.3
123.04413	6.7
124.01546	2.3
125.02336	20.2
133.02806	2.4
135.04405	3.1
136.01535	3.3
137.02344	30.8
139.00226	2.6
139.04063	1.9
145.02863	3.3
147.04364	3.2
149.02353	12.1
149.06035	2.2
150.03107	8.9
151.00270	25.6
151.03883	10.6
152.01056	2.8
161.02359	5.7
161.04436	3.3
163.03925	4.5
164.00974	4.2
165.01852	100.0
165.05460	6.0
165.09151	7.1
166.02631	63.7
167.03339	10.3
169.01331	8.1
173.02368	2.0
175.02429	2.4
175.03893	5.6
177.01855	12.3
179.03409	35.8
180.04224	61.4
181.04997	86.9
182.05334	4.0
184.03694	2.6
189.01846	6.1
191.03476	4.6
192.04208	8.0
193.05009	6.1
194.05814	4.8
195.02782	2.7
195.06567	88.3
196.06880	3.5
203.03436	12.5
203.32172	2.1
205.05028	6.4
207.06506	9.4
209.08144	15.2
210.05252	10.3
218.05771	7.1
225.07651	44.5
233.08105	17.5
244.33168	2.0
251.09212	3.8
313.06750	11.2
355.08371	4.0
371.13721	3.9
387.10803	10.0
402.13239	11.2
417.15546	62.1
418.15891	8.3
461.14209	2.1
477.17514	10.4
491.19180	19.5
505.17206	21.9
580.19019	2.9
595.21387	10.8
643.20428	2.8
669.25629	28.5
670.25269	6.2
717.27759	16.6
718.27692	3.6
805.26788	14.9
806.28912	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	803.4432
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34312	4.4
59.01248	26.4
61.98703	34.9
67.27212	4.2
68.70387	5.7
69.03355	5.4
71.01257	50.8
71.58973	5.2
71.59385	8.6
72.99181	6.1
73.02825	4.9
74.88102	4.3
75.00755	20.2
78.95776	6.2
78.98491	7.1
79.95612	37.7
80.96395	79.4
83.04886	7.5
85.02834	27.5
87.00760	13.4
94.97974	19.2
96.95909	16.0
97.02830	8.4
99.00776	14.9
101.02340	6.1
109.06468	8.7
113.02353	20.8
115.50594	4.1
123.04420	5.1
125.02336	11.6
134.97496	6.6
148.99054	9.0
152.98567	5.9
154.36839	4.4
163.11168	8.1
164.98589	16.0
169.01332	5.8
171.10240	21.9
185.11858	5.0
191.42046	4.7
197.11758	19.0
199.13379	5.9
201.11444	5.2
207.10168	23.6
207.98225	4.6
209.11818	61.5
211.13345	45.2
225.00766	26.0
225.11256	25.0
227.12796	7.8
235.08286	5.5
243.12230	5.6
253.09305	11.5
258.52908	5.0
289.18268	8.9
291.19690	5.8
293.21304	5.6
307.19382	7.9
309.20612	23.3
311.22409	13.0
341.05618	5.3
397.13574	6.9
425.75522	5.5
595.87793	5.1
712.22864	6.3
737.47693	5.4
771.41559	41.4
803.38641	100.0
804.40314	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4953
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72116	0.4
56.90187	0.4
57.03318	1.4
57.72184	0.5
59.01254	6.0
61.98697	0.9
69.45188	1.0
69.45591	3.3
71.01255	3.9
71.04892	0.6
73.02820	0.9
78.95789	0.5
80.96392	1.0
83.01234	0.5
83.04905	0.7
85.02817	0.8
87.00777	0.7
89.02312	2.2
95.01219	0.6
95.04906	1.0
97.86595	0.4
101.02328	3.4
109.06476	0.7
111.08050	7.7
113.02329	2.0
113.09612	0.7
119.03334	0.7
121.10154	0.4
137.09653	0.8
149.09636	0.5
161.04482	2.0
167.10721	2.5
177.12766	1.5
179.05602	0.6
179.10689	2.1
179.14330	0.6
195.13849	12.2
195.36584	0.4
196.14346	0.9
203.14487	0.5
211.13353	1.1
223.13329	4.3
225.86026	0.5
228.13480	0.7
231.21657	0.5
235.08186	3.1
247.20682	2.0
253.09259	16.1
256.13220	1.0
273.18546	0.9
275.20160	4.4
282.15158	0.4
291.19669	100.0
292.20007	8.4
293.21225	81.1
294.21588	7.4
362.72534	0.5
418.00745	0.4
463.90161	0.6
492.22272	0.7
517.43231	0.5
527.28571	5.1
528.29486	0.7
529.30328	0.9
535.86017	0.4
544.13409	0.5
803.41443	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	0.3
61.98705	100.0
71.01271	0.4
71.57771	0.3
78.95796	0.4
80.96400	0.5
101.02343	0.2
124.72155	0.2
125.02316	0.4
129.67499	0.2
130.35822	0.2
152.99527	0.2
192.05464	0.2
209.11748	0.6
211.13335	0.3
212.13475	0.3
255.23268	0.3
277.21872	0.4
288.17947	0.2
293.21298	0.3
344.20718	0.2
760.47021	0.2
804.39984	0.6
805.39276	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
69.88824	15.6
69.89233	5.7
72.87872	3.3
78.94491	2.8
98.20549	4.7
102.08607	3.1
108.24800	3.0
113.68399	3.3
115.39523	3.0
125.02342	79.4
161.86226	2.8
169.01344	100.0
202.70819	2.9
259.11685	2.8
287.07938	3.8
321.02539	14.4
331.06717	13.1
439.08722	34.2
483.07651	33.6
483.13068	3.4
484.08008	4.0
502.40912	3.3
524.94476	3.8
702.49817	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	803.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.3
59.01260	0.9
61.98711	0.8
65.00208	0.3
69.03323	0.1
71.01257	0.5
71.58733	0.2
73.02888	0.2
78.95779	2.5
79.95617	3.3
81.03325	1.1
83.01250	0.2
85.02841	0.3
87.00731	0.2
94.97993	0.3
96.95894	100.0
96.96773	3.6
99.08040	0.3
109.02794	0.2
113.02357	0.2
123.08054	0.7
125.02334	2.2
125.05975	1.2
136.05197	0.2
137.02417	0.2
141.09076	0.2
147.08087	0.2
150.23006	0.1
151.00342	0.3
165.09132	6.4
165.35228	0.1
166.09471	0.2
167.03419	0.2
169.01332	0.2
171.10220	0.2
181.77223	0.1
182.61922	0.1
187.03955	0.5
188.04703	0.3
191.07074	0.3
209.08145	23.6
209.11639	0.6
210.08516	1.0
211.13333	0.7
215.03436	0.2
216.04164	0.3
231.02655	0.2
233.08162	1.0
239.07137	0.2
241.41013	0.1
257.08258	0.7
265.07675	0.2
283.06000	0.3
326.29922	0.2
358.63300	0.2
397.13727	0.2
415.46356	0.2
445.11310	0.4
489.10352	0.6
599.19116	0.4
634.69812	0.2
655.20483	1.4
656.20453	0.2
699.19177	1.2
700.19501	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.2
59.01251	0.7
59.06010	0.1
61.98701	0.4
71.01247	0.4
78.95779	2.5
79.95613	3.1
81.03351	0.3
83.67485	0.1
85.02840	0.3
87.00769	0.2
88.98615	0.1
94.97974	0.3
96.95895	100.0
96.96883	3.1
97.95839	0.3
98.02359	0.2
99.08018	0.1
101.02369	0.2
109.02782	0.1
113.02355	0.2
124.01568	0.2
125.02355	1.2
125.05906	0.2
128.90076	0.2
137.02220	0.1
142.54723	0.1
165.01837	0.2
165.09137	2.5
168.54358	0.1
169.01332	0.3
171.10204	0.1
194.57298	0.1
209.08151	7.7
209.11769	0.5
210.08502	0.4
211.13300	0.6
216.04361	0.1
233.08118	0.2
253.08824	0.2
257.08023	0.2
260.01895	0.2
265.07681	0.2
356.30603	0.2
489.10666	0.2
569.49518	0.2
572.08038	0.2
599.19043	0.2
617.21954	0.2
655.20319	0.4
699.18726	0.3
772.54150	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.8
59.01250	100.0
60.01585	1.1
69.74540	2.4
71.01254	10.9
72.99171	0.4
73.02826	2.7
83.01281	1.5
85.02825	4.8
88.78387	0.4
89.02331	1.5
95.01283	0.7
96.95908	0.8
99.00774	1.4
101.02316	5.9
109.91952	0.3
113.02327	4.2
116.68052	0.4
125.02379	0.7
159.02943	0.5
161.04445	4.1
169.01443	0.5
170.16766	0.4
268.03821	1.2
283.06125	2.5
315.18094	12.2
316.18515	0.6
357.19244	4.7
357.31134	0.4
379.74374	0.4
452.86349	0.4
651.30121	0.4
705.27716	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	803.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00477	0.6
59.01256	10.4
61.98696	1.2
64.03411	0.3
69.03326	1.4
70.12334	1.6
71.01254	9.0
72.99185	0.8
73.02821	1.4
75.00731	0.4
78.95773	0.4
81.03320	0.6
83.01252	1.4
83.04891	0.7
85.02827	2.5
87.00758	2.5
89.02319	7.3
89.02834	0.6
95.01275	0.7
96.95902	3.2
97.02834	1.2
99.00761	0.9
101.02328	6.9
111.00835	0.3
111.04403	0.6
113.02338	4.1
119.03412	2.4
125.02351	5.1
137.02383	0.5
139.03905	0.4
143.03386	1.1
146.44958	0.3
155.10614	0.4
161.04471	1.2
165.12811	0.6
167.03416	0.6
167.14302	0.7
169.01346	0.6
171.10184	1.4
179.05553	2.3
183.13835	7.0
193.12274	1.5
207.10248	0.3
209.11801	1.4
211.13347	100.0
212.13690	4.3
217.07155	0.8
221.06601	0.6
225.11345	0.5
227.12988	0.4
235.08220	2.8
253.09308	0.9
263.07730	0.6
278.55197	0.4
287.07806	1.0
305.08765	0.8
323.09790	0.9
328.59460	0.3
341.23334	0.8
379.12555	3.4
397.13507	19.6
398.13678	0.8
415.14511	4.1
448.34988	0.4
591.26727	2.2
609.27429	3.3
785.39764	1.1
803.43439	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	7.8
59.01250	32.4
61.98702	11.8
71.01250	36.4
71.59429	5.6
72.99190	10.5
73.02818	4.5
75.00752	36.2
80.02536	4.0
81.03370	3.5
83.04920	11.4
85.02812	32.9
87.00760	14.3
89.02315	9.9
95.01266	13.1
95.04900	4.4
96.95908	6.7
99.00735	27.1
101.02357	6.7
111.08030	6.5
113.02334	39.7
123.04389	3.3
123.91444	3.3
125.02309	9.3
136.05132	3.0
137.02275	4.1
163.11215	8.8
165.12785	6.3
169.12202	5.1
171.10194	11.7
175.02390	6.4
181.12285	3.8
183.13831	4.0
197.11789	46.1
209.11789	86.2
211.13290	12.8
223.13354	4.8
227.12906	16.0
249.06258	5.5
253.09219	7.5
291.19711	13.0
292.29068	3.1
309.20740	24.0
310.20575	3.2
441.47101	3.9
452.83395	3.9
559.28052	4.3
751.38556	7.0
769.26233	5.5
769.40137	100.0
770.40063	17.3
801.42853	84.0
802.42670	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	801.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	6.2
60.16506	3.5
61.98705	100.0
71.07142	6.9
78.95779	7.3
80.52013	3.7
101.02330	4.2
107.13600	3.8
125.02303	5.4
169.01405	4.1
201.11299	13.7
202.31976	3.5
205.33067	3.8
209.11736	34.9
210.12300	3.8
227.12766	4.2
228.35414	4.1
277.21704	32.7
278.21912	4.9
281.24652	5.3
289.18219	5.7
521.59955	3.6
801.40289	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	802.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.1
61.98703	100.0
69.12232	0.2
75.00783	0.2
76.72079	0.1
80.96401	0.5
81.39381	0.1
85.87318	0.1
123.70153	0.1
125.02353	0.3
132.61041	0.1
136.73782	0.1
169.01373	0.2
209.11819	0.3
211.13405	0.4
281.61713	0.1
314.85645	0.1
384.62729	0.1
788.80316	0.1
803.39636	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	5.9
58.00470	4.0
59.01254	61.9
61.79046	1.6
61.98684	2.2
65.03819	3.1
67.19707	1.4
69.03324	6.5
70.98840	2.3
70.99165	2.2
71.01255	57.6
72.99180	4.8
73.02818	8.3
75.00755	2.6
78.91773	1.8
81.03343	4.3
83.01271	5.9
83.04893	9.9
85.02831	15.4
85.06480	1.9
87.00761	16.0
89.02323	37.6
90.25325	1.6
91.05380	1.5
93.03333	1.9
95.01269	5.2
95.04897	3.4
96.95905	5.9
97.02836	8.0
97.06470	5.0
99.00749	2.1
100.55807	1.4
101.02328	36.6
109.02883	3.0
109.06470	2.1
111.00774	2.0
111.04418	2.3
111.08043	4.8
113.02336	18.7
116.72744	1.7
117.15981	1.4
119.03416	9.0
121.02858	1.6
123.08075	3.4
125.02350	20.0
125.09627	18.7
127.11182	1.5
131.03377	2.9
133.06459	1.6
135.04428	1.5
137.02367	4.3
137.09644	3.6
143.03395	4.4
149.02429	2.5
151.03893	1.7
160.07704	2.0
161.02290	1.9
161.04491	5.5
163.03882	1.5
163.11200	2.0
167.03513	2.6
169.01367	3.7
171.10199	44.1
172.10631	1.9
175.02451	4.1
177.01801	2.3
179.05518	13.4
183.13765	1.8
185.11775	2.5
187.09669	1.7
187.14890	2.4
189.16455	2.6
205.15895	4.7
207.13931	2.3
209.11784	16.4
211.13359	21.6
215.14270	11.8
221.06693	7.3
221.15468	2.9
231.13870	4.9
233.15443	60.3
234.15767	4.0
235.08205	6.2
249.14981	27.7
251.16412	2.4
263.07715	2.7
264.44919	1.8
289.07129	1.7
300.02554	1.9
301.03708	2.2
323.23376	1.7
329.23364	3.0
331.26367	3.2
336.79706	1.7
341.24997	7.3
359.25964	2.2
367.22678	2.7
375.25418	5.4
379.12454	3.3
385.23886	26.4
386.24109	2.5
393.26834	2.5
397.13464	29.9
403.24896	43.8
404.25241	4.4
415.14645	4.8
421.25937	23.0
422.26236	2.6
495.30170	1.5
569.24652	2.1
588.05420	1.6
647.28717	2.1
773.39465	2.4
783.38086	100.0
784.38275	18.6
801.39282	69.5
802.39349	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	8.1
58.00473	2.9
59.01254	76.3
60.01564	2.4
61.05809	2.1
61.98701	3.7
69.03328	6.8
70.79874	3.2
70.80234	4.5
71.01257	66.8
72.99176	7.1
73.02822	10.4
75.00739	4.7
78.95779	2.5
81.03323	4.6
83.01247	8.2
83.04910	10.6
85.02826	16.8
85.06474	2.3
87.00755	18.9
89.02324	40.9
93.03342	2.5
95.01263	5.1
96.95899	23.3
97.02819	9.1
97.06457	4.1
99.00753	5.4
100.40896	2.2
101.02338	42.5
109.02830	3.0
109.06459	3.9
111.00722	3.6
111.08028	6.5
111.28406	2.1
113.02341	22.2
119.03419	10.1
119.04910	2.8
119.44671	2.4
123.08060	2.0
125.02338	20.8
125.09618	21.3
127.11160	2.7
127.62981	2.0
129.01851	2.4
135.07988	2.5
137.02319	6.3
137.09680	3.4
143.03409	7.2
151.03970	3.3
151.11092	2.2
158.48492	2.0
161.04451	6.5
163.07619	3.2
169.01302	5.1
171.10197	55.1
175.02443	3.1
179.05530	13.7
183.13966	2.5
185.11749	2.6
187.09695	2.9
187.14908	2.5
189.12744	3.0
201.12764	2.9
205.15878	3.7
209.11763	21.2
211.13348	26.0
215.14279	5.2
221.06622	5.9
221.15402	3.7
231.13930	7.9
233.15439	59.9
235.08208	5.3
249.14938	36.4
251.16406	4.5
263.07663	3.8
273.16986	2.6
300.02615	2.8
301.03360	3.0
323.23581	2.7
331.26465	5.3
341.24796	3.7
357.24295	2.7
367.22873	6.0
375.25287	5.2
379.12384	4.3
385.23843	24.3
393.26089	2.9
397.13596	30.3
403.19531	2.5
403.24902	42.2
404.24792	3.5
415.14526	5.9
421.26065	30.0
597.18317	4.9
629.27814	3.3
773.39081	3.5
782.92395	2.3
783.38104	100.0
783.52759	4.7
784.38220	14.9
801.39105	88.2
802.39417	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	800.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.0
61.98705	100.0
69.91949	0.2
72.99190	0.2
80.64582	0.3
85.02827	0.5
89.02361	0.2
92.63624	0.2
94.02409	0.2
96.95889	0.6
113.02346	0.4
125.02380	0.9
137.02367	0.4
167.03477	0.2
169.01387	0.4
187.26488	0.2
209.11839	0.6
211.13327	0.4
237.11464	0.2
398.13181	0.3
766.98718	0.3
800.37354	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.8
71.01237	0.5
77.92589	0.4
84.02028	0.5
85.02834	0.5
93.36801	0.5
95.01272	0.6
95.21470	0.4
96.95859	0.7
98.19669	1.0
103.47801	0.4
108.02078	1.3
109.02833	2.4
115.05392	0.4
121.02868	2.7
122.03628	1.1
123.00734	2.2
123.04404	1.5
124.01553	1.0
125.02345	1.3
134.03712	0.6
136.01564	52.7
137.02376	8.2
139.00290	0.4
139.03871	1.5
143.04881	0.5
149.02356	1.5
149.06024	0.6
151.00299	10.5
151.03915	69.2
152.00977	1.4
152.04236	2.6
153.01767	0.7
154.02626	0.5
159.04469	1.4
160.05177	1.6
161.02335	1.0
161.06012	0.9
162.03145	0.9
163.03952	1.1
164.04626	0.6
165.01740	0.7
166.02635	38.1
167.03368	3.3
172.05141	0.5
173.02373	1.2
174.03084	0.5
175.03903	2.7
175.07520	1.0
176.02820	0.4
176.04749	1.1
177.01834	2.4
177.05460	1.5
179.03429	0.7
181.04988	52.8
182.05324	1.5
184.03572	0.6
187.03885	0.4
188.04749	0.4
189.05453	2.8
190.02728	0.8
190.06235	2.5
191.03429	2.8
191.07001	1.0
192.04213	1.1
193.04956	0.9
195.02919	0.7
203.03452	0.7
205.05051	3.1
205.08617	1.7
206.05792	3.2
207.06618	1.3
209.04486	0.5
217.05026	0.6
220.07367	1.7
221.08115	7.1
266.05881	0.7
279.06778	0.5
279.90442	0.4
282.05344	0.7
294.05435	1.3
297.07715	1.3
298.90775	0.4
299.09241	0.7
309.07687	2.6
324.10114	1.1
326.11548	0.6
327.08652	1.2
327.12354	0.7
329.10220	2.3
339.12354	0.9
341.13889	0.5
342.07312	0.9
342.11032	7.4
343.11707	1.2
357.09662	11.5
357.13464	33.4
358.09998	0.9
358.13782	2.5
369.13382	2.0
371.10846	0.7
371.15198	2.3
372.12109	12.8
373.12686	1.7
373.19897	0.5
387.14502	100.0
388.14859	7.3
401.15921	1.8
417.15387	2.4
481.21280	0.4
511.95407	0.4
514.78772	0.5
567.22369	8.5
568.22522	0.8
579.22314	1.6
597.23425	30.5
598.23859	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	799.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	12.5
60.85569	1.7
61.98705	33.2
66.49664	1.6
70.29900	1.6
71.01247	5.2
73.53909	1.5
83.04908	2.6
85.02797	3.1
88.74140	1.5
89.02334	3.4
101.02319	4.1
111.08045	3.3
113.02343	3.3
125.02345	5.7
134.89273	1.7
161.04546	1.9
169.12143	2.2
171.10181	2.3
179.05675	2.0
183.13791	6.4
185.11699	2.1
195.13780	4.4
197.11772	16.3
199.13368	3.3
203.52528	1.8
209.11789	38.9
210.12025	2.9
210.66942	1.7
211.13341	100.0
212.13672	4.9
223.13327	2.5
227.12802	6.1
235.08182	4.9
253.09290	20.0
275.20221	3.7
291.19641	19.6
293.21243	32.4
294.21542	4.9
309.20706	46.0
310.21204	3.7
447.22433	5.0
542.50775	1.6
545.29730	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	799.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	13.3
66.08112	2.3
70.00001	4.8
70.00404	12.6
78.95773	9.8
79.92919	2.3
80.96385	4.3
98.20435	3.8
160.14417	2.4
183.13765	5.5
211.13344	100.0
212.13643	5.0
253.09209	4.7
255.23383	3.1
277.18924	4.7
277.21722	61.8
278.22031	3.9
293.21268	3.0
339.06305	2.8
447.22330	7.4
555.17548	2.7
611.26147	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	799.4201
Annotation	Planktocyclin
Peak:m/z	Relative Intensity
71.01241	12.8
75.00739	20.2
78.95776	46.6
78.98459	6.2
79.20176	2.7
79.95596	10.3
80.96392	76.9
83.04906	4.9
85.02799	3.8
93.18403	2.9
94.97959	15.2
96.96831	10.1
98.20581	6.2
106.97958	5.1
116.92715	8.0
122.97464	4.7
127.11134	3.6
134.97426	3.4
148.98976	6.4
152.99472	8.3
157.94473	3.3
164.98520	12.2
171.10216	4.0
201.11250	28.0
209.11765	29.6
223.00027	3.4
225.00670	25.0
227.12749	5.0
241.01180	17.0
255.23235	22.9
277.21744	9.0
293.21323	3.5
308.64587	2.8
709.38477	40.3
710.38373	4.3
781.40625	21.6
782.41486	4.1
799.42010	100.0
800.42041	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	799.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29984	1.1
59.01233	1.8
61.98700	1.1
69.12679	1.1
71.01252	3.5
73.02828	1.4
75.00743	6.9
78.95779	72.1
78.98450	2.1
79.95607	5.1
80.96397	21.7
81.03322	1.5
83.04890	3.2
85.02823	1.7
87.00760	1.1
94.97961	4.8
96.40820	0.9
96.95871	1.3
96.96850	15.3
97.06477	1.2
97.17398	1.1
115.39408	1.0
116.92751	2.0
121.42138	1.2
125.02312	1.4
125.05932	1.1
125.09615	3.3
125.67412	1.1
127.11208	5.3
134.97453	2.0
148.99049	1.9
150.14143	1.0
152.99519	17.1
155.10681	1.7
163.11180	3.0
164.98500	4.6
165.09125	1.2
165.12769	1.4
171.10246	2.5
199.09711	1.7
201.11266	57.8
202.11591	2.7
209.11780	55.9
210.12131	3.5
211.13374	1.6
223.00095	3.7
225.00714	8.8
227.12796	4.6
229.33411	1.4
241.01157	41.5
242.01485	1.7
255.23285	41.5
256.23666	3.8
259.02109	3.6
297.03888	1.2
315.04800	2.5
361.08862	1.0
381.13068	1.7
391.21979	1.3
709.38434	9.3
710.37891	1.5
736.40265	1.2
755.39307	1.6
781.40839	9.8
782.41168	1.8
788.90680	1.2
799.42389	100.0
800.42853	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3755
Annotation	Win 66306
Peak:m/z	Relative Intensity
57.02679	1.6
57.03324	3.6
58.00438	1.8
59.01249	34.3
61.98702	2.2
65.03838	4.4
69.03334	3.0
69.47301	13.6
71.01254	32.7
72.18842	1.4
72.99177	3.3
73.02820	6.1
75.00741	1.8
78.74487	1.7
81.03336	3.2
83.01286	3.8
83.04909	1.9
85.02837	6.7
87.00757	6.1
89.02320	17.8
91.05422	2.5
93.03331	2.4
95.01231	2.1
95.04944	2.2
96.95907	2.6
97.02846	4.3
97.06455	2.5
99.00725	1.8
101.02328	14.8
106.22616	1.5
107.01288	1.7
109.06464	2.9
111.00714	1.8
113.02304	10.0
115.05445	3.8
119.03423	3.3
121.02853	1.8
123.08069	2.0
125.02343	7.2
125.09613	11.3
134.03645	7.5
135.04323	1.5
136.03336	1.2
137.02325	3.2
146.34186	1.4
146.71674	1.4
149.05841	1.6
160.01601	3.5
161.02258	2.0
161.04501	1.7
165.12759	1.6
171.10146	2.5
175.03978	3.7
179.05556	4.8
185.11807	2.6
187.09627	2.2
187.14874	8.1
193.05009	2.5
205.12163	2.1
207.10280	1.7
209.11780	15.2
211.13290	3.2
213.12772	5.7
221.06589	4.5
231.13849	20.1
233.11591	1.9
235.08154	2.2
247.13646	1.9
249.14786	2.4
283.37827	1.7
307.27933	1.4
339.23215	3.3
355.22638	1.6
357.24213	3.0
365.20859	2.3
373.23648	1.9
382.07986	1.5
383.22311	11.5
391.24966	2.3
397.13528	7.0
401.23389	14.6
419.24121	7.3
551.28668	10.8
603.84540	1.5
771.38531	2.6
781.36542	100.0
782.36481	15.5
795.48871	2.2
799.37659	23.6
800.38110	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	799.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.7
59.01244	1.8
65.00175	0.5
71.01258	0.8
71.59203	0.9
75.00743	0.6
81.03334	3.0
81.03751	0.4
83.01268	0.7
85.02814	1.0
85.06472	0.8
87.00731	0.5
103.93596	0.5
109.02888	0.5
109.06508	1.8
111.04408	3.8
113.02324	0.7
125.02328	4.3
133.06415	0.5
135.04401	1.8
136.05182	0.6
136.13239	0.5
147.07976	0.4
149.02415	1.2
151.00352	1.1
151.07558	29.0
152.01074	1.0
152.07896	1.5
159.63426	0.5
163.03920	13.2
165.05505	0.8
169.01335	0.9
177.05463	0.9
178.06282	11.1
179.06853	0.7
191.07022	1.3
193.08643	17.2
194.08975	1.2
195.06566	100.0
196.06863	4.6
197.93633	0.5
201.05507	1.2
207.06630	0.8
208.07437	0.7
209.08192	3.2
209.11862	0.5
219.06587	31.3
220.06964	1.5
228.07994	0.5
237.07640	9.0
249.07683	3.7
292.94186	0.5
297.09738	1.1
306.81906	0.4
339.10788	0.8
357.11905	46.9
358.12375	4.4
380.73724	0.5
505.44675	0.6
695.24841	0.7
799.39276	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	3.1
57.25771	0.5
59.01245	3.7
70.87859	0.5
70.91717	1.3
71.01255	1.8
72.18134	0.5
72.99197	0.7
75.00755	0.9
82.29325	0.5
85.02827	1.7
87.00774	0.8
89.02335	0.6
95.01261	0.6
99.00764	0.7
99.04397	0.7
101.02322	1.0
108.02057	1.4
109.02852	1.5
113.02352	0.7
116.92731	1.8
117.92767	0.6
121.02844	5.1
123.00748	0.9
124.01567	1.5
125.02341	4.4
133.02879	0.6
135.04433	1.9
137.02357	1.8
139.03920	0.8
142.05324	0.6
145.02867	1.1
145.57065	0.5
146.03665	0.7
147.04433	2.3
148.05223	1.1
149.02380	2.0
150.03174	4.5
151.03909	1.2
161.02403	1.3
163.02641	0.4
163.03882	2.8
164.04755	1.1
165.05496	1.1
166.02600	0.7
169.01317	1.1
175.03917	0.6
177.01872	0.9
179.03363	0.6
181.04996	1.7
195.06525	0.9
196.23370	0.5
201.05463	0.6
206.77805	0.5
209.05974	0.8
210.06836	0.9
211.07614	2.3
212.04681	0.7
213.05463	0.7
225.05502	1.4
227.07117	3.5
237.05679	0.7
240.04298	0.8
242.09509	1.6
242.88219	0.5
243.06531	0.8
253.05115	2.9
254.05766	2.9
255.06612	24.2
256.03745	4.2
256.07034	1.9
269.08282	2.8
271.06143	24.5
272.06482	1.6
285.03925	0.8
286.08493	25.0
287.08829	2.1
289.07010	0.7
297.84555	0.6
301.10822	100.0
302.11115	8.8
325.10825	0.6
333.56287	0.5
399.51614	0.6
445.15082	4.2
446.15134	0.7
463.16214	3.1
487.16107	2.0
505.17212	20.1
506.17621	1.6
533.20227	1.5
547.18243	1.0
556.25897	0.7
573.23798	1.2
797.31396	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.8
58.00454	0.9
59.01250	18.1
68.99669	1.0
69.36159	1.6
69.36578	4.9
71.01254	22.7
71.19975	0.6
72.99171	2.1
73.02793	2.1
75.00742	12.2
78.95324	0.9
78.95779	13.4
81.15881	0.7
83.01251	2.2
85.02340	1.2
85.02820	14.5
87.00747	3.0
89.02305	9.3
95.01255	4.5
96.95884	1.0
96.96836	1.2
98.20173	3.0
99.00760	13.6
101.02319	11.0
113.02319	10.0
119.03349	2.5
125.02292	1.3
139.00278	1.5
142.47147	0.6
152.99501	4.7
157.01294	1.8
161.04414	0.9
171.10146	1.7
211.13370	2.6
229.14363	1.7
254.79347	0.8
274.93518	0.7
329.23349	3.8
355.21030	0.7
387.08691	0.9
465.22382	1.9
621.98718	0.8
795.45416	100.0
796.45844	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	797.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	14.8
59.01259	3.4
59.09208	0.7
65.03849	0.7
65.32860	0.7
69.03323	1.4
71.01263	3.6
73.02828	0.8
75.00742	1.8
81.03329	1.7
83.01257	4.3
83.24477	0.7
85.02828	2.8
87.00750	0.8
88.98686	1.3
89.03832	0.8
93.03333	1.8
95.01266	1.6
96.95895	1.3
97.02840	1.6
98.10217	0.7
101.02339	0.8
107.01266	0.9
107.04900	1.6
109.02842	6.6
113.02354	2.0
117.03340	1.2
119.04941	1.2
121.02811	2.1
123.00776	1.4
123.04424	2.8
124.01561	1.2
125.02342	100.0
126.02679	2.5
131.04889	0.7
133.02859	4.8
135.04402	3.1
137.02348	21.3
139.03938	0.9
145.02890	5.2
149.02351	3.8
150.03143	2.6
151.03920	5.8
159.04442	4.7
161.02365	26.3
161.05997	2.0
162.02975	1.4
163.00301	1.5
163.03909	4.6
164.01045	2.7
165.01869	5.2
165.03996	1.0
165.05605	0.9
169.01347	25.0
170.01788	1.1
171.04398	0.9
171.10153	1.5
173.06013	1.1
175.02457	1.4
175.03905	10.6
177.01862	14.2
177.05400	0.8
178.02289	1.0
178.49451	0.8
179.03429	1.4
183.04454	1.8
185.06012	2.4
187.03915	6.7
189.01865	1.0
189.05373	0.7
191.03401	1.4
193.01251	0.9
195.06586	1.1
196.41376	0.7
199.03967	3.4
201.01886	1.2
201.05508	3.0
203.03464	1.8
203.07098	1.8
205.04965	0.9
209.06078	1.2
209.08072	0.8
209.11760	2.5
211.03958	1.7
213.05409	0.8
214.02711	0.8
216.04234	0.9
217.05049	3.0
219.02974	2.7
219.06528	0.8
225.05530	2.9
227.03485	2.8
227.07092	2.0
229.05028	3.7
230.02110	1.0
231.02960	0.9
237.05482	1.3
241.05049	1.7
243.02924	10.6
245.04501	4.4
253.05090	3.3
255.02971	8.0
256.03613	2.2
267.02972	2.1
267.06729	1.0
269.04517	2.5
270.05212	0.9
271.06155	12.5
272.06696	1.0
273.04074	6.9
275.22495	0.7
281.04645	3.2
283.02344	1.6
285.04059	2.3
287.05615	7.2
288.02930	0.9
289.07077	1.7
297.04019	1.1
299.05579	4.7
311.05478	1.0
315.05905	0.8
321.07733	1.5
359.11252	3.5
363.08755	2.8
389.06635	12.3
390.06528	1.2
407.07660	8.8
408.08286	1.0
425.08371	1.3
433.09436	4.6
465.15692	4.8
477.11890	2.5
509.14722	3.8
559.13098	1.1
583.16650	1.5
627.14935	9.0
628.15582	1.3
645.16028	6.1
646.16754	1.3
671.17554	1.9
797.21796	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34669	1.8
57.03323	5.1
59.01253	37.2
69.03336	2.0
69.78105	11.3
71.01256	36.2
72.99191	7.2
73.02826	7.1
75.00754	35.5
79.56635	1.8
80.26767	1.7
83.01267	6.4
85.02823	33.1
86.03152	3.1
86.89902	1.8
87.00750	11.8
89.02326	8.7
95.01267	4.0
99.00779	11.8
101.02331	9.1
102.90257	2.3
109.02850	2.2
113.02338	26.8
114.02696	2.2
115.00314	3.0
117.01823	2.5
123.04411	2.1
125.02322	23.5
137.02356	3.5
150.03096	3.0
157.01314	3.0
158.50948	1.8
163.00298	2.0
167.03323	3.3
169.01382	6.5
173.04494	4.5
175.02446	4.8
175.04051	2.9
177.01859	6.3
191.03426	2.7
204.04239	2.0
224.45294	2.0
229.01346	2.2
243.02852	2.2
301.03714	2.4
334.75790	2.1
371.41336	2.2
377.30661	2.1
465.10464	3.6
607.11041	3.4
751.30280	100.0
752.30634	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.4
59.01250	1.4
60.99178	18.6
70.16862	0.7
70.17274	1.7
71.01254	1.8
72.91490	0.4
72.99184	1.1
73.02847	0.4
85.02831	0.8
85.69092	0.4
87.00758	1.6
88.00274	1.5
88.98680	100.0
89.02314	3.0
89.99040	0.6
95.01215	0.5
96.95870	0.5
98.19853	0.4
101.02316	0.5
109.02855	0.4
111.54683	0.4
113.02311	0.4
115.82542	0.4
121.02924	0.7
122.03609	0.6
124.01685	0.4
125.02346	2.9
137.02356	0.9
149.00845	0.4
149.02345	0.6
150.03178	1.8
165.05484	1.4
169.01317	1.8
171.10255	0.8
174.01605	0.5
195.06567	0.9
201.11200	0.6
209.08160	0.8
209.11729	2.4
270.02286	0.4
280.86081	0.4
324.51105	0.4
344.90958	0.4
359.14981	1.2
430.38406	0.4
795.39917	0.7
818.39160	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17884	0.6
59.01250	4.0
71.59850	0.7
73.02801	0.8
75.00741	1.1
81.03334	0.9
81.91780	0.6
83.01299	0.8
85.02826	1.9
87.00730	0.7
89.02327	1.4
95.01270	1.2
96.95932	0.8
98.77673	0.6
101.02307	1.2
108.02097	0.6
109.02828	1.3
111.00713	0.7
113.02330	1.3
119.04884	1.1
121.02777	0.8
123.00760	3.0
123.04361	1.6
124.01579	0.7
124.28931	0.8
125.02337	18.5
136.59326	0.6
137.02342	3.6
145.02853	0.9
149.02278	1.1
150.03082	0.8
151.03903	1.2
163.03828	0.7
164.01091	1.0
165.01840	3.3
165.05515	1.1
169.01338	27.2
177.01874	1.3
179.03419	0.8
193.01399	1.0
201.11143	1.2
205.05022	1.5
209.11784	4.8
213.05518	1.6
225.05624	0.7
227.12805	0.9
240.04144	1.2
241.05016	4.8
249.12305	0.6
255.06590	0.8
268.03836	1.5
269.04550	55.4
270.04910	3.4
271.05991	0.9
273.07672	1.5
283.06140	7.2
284.06906	67.0
285.07242	4.0
299.09244	100.0
300.09583	6.3
443.13391	3.4
476.07870	0.7
485.14505	1.9
491.23218	0.9
503.08575	1.0
503.15686	14.7
504.16269	1.3
556.66040	0.8
625.26953	1.9
643.27673	7.0
795.27997	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	793.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	9.6
63.82529	5.1
63.99152	5.9
74.90075	5.0
78.95786	9.7
95.85126	5.0
96.95930	7.2
98.72552	5.3
105.07684	5.1
107.14558	6.5
110.67429	4.9
116.63658	5.6
125.02367	10.2
175.90012	5.5
182.38460	5.9
201.11246	47.8
209.11755	76.7
211.13383	8.2
213.72638	5.1
227.12877	22.5
235.08260	8.5
253.09302	42.5
293.21280	100.0
301.03702	5.9
309.20862	8.9
322.69858	6.8
371.57693	5.7
378.25388	5.9
445.20715	7.2
793.40906	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	795.199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	20.2
69.03328	2.6
69.29250	22.7
71.01248	15.8
85.02839	5.9
89.02309	8.2
95.01239	3.4
97.02865	2.8
98.19843	4.5
101.02338	7.4
102.95151	2.0
113.02325	3.5
124.01576	3.9
125.02338	100.0
146.03648	2.6
147.04326	2.7
151.00136	2.2
151.91962	2.6
168.00504	3.5
169.01352	80.2
174.03149	39.0
175.03873	3.5
177.01846	2.7
187.03893	9.3
188.04724	9.6
201.05565	3.7
202.02678	2.9
222.44469	2.3
229.08733	14.7
247.09741	9.7
257.08170	3.7
275.09326	4.0
283.05948	3.3
287.07968	3.2
313.05621	5.8
331.06760	15.4
409.15036	38.9
410.15366	3.9
419.13498	2.2
421.05780	3.8
437.14557	71.7
438.14774	8.8
463.12326	25.9
481.13477	20.3
588.71997	2.9
625.17993	6.5
657.43420	2.6
751.20837	4.6
795.19867	57.9
796.20020	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	793.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.5
59.01249	12.4
71.01254	22.9
73.02810	2.3
79.87032	1.2
85.02839	1.7
89.02316	5.3
91.71562	1.2
98.20647	2.9
99.00780	1.9
101.02329	7.5
101.09203	1.2
109.06471	4.0
113.02332	2.5
118.49066	1.3
123.04407	1.8
125.02348	1.4
125.09596	2.6
127.11121	2.3
145.04916	1.8
148.53398	1.3
149.04446	2.2
151.03908	4.1
155.10626	1.8
161.04437	1.7
163.11165	2.4
171.10167	26.3
181.08598	1.8
181.12257	3.0
199.07994	2.0
199.09698	24.0
199.13295	4.1
200.09933	1.5
201.11264	34.5
202.11523	2.0
207.10202	16.2
223.13327	3.8
225.11293	25.6
229.81924	1.8
235.06017	1.4
235.08188	5.9
243.12292	3.8
253.09296	13.7
277.21713	100.0
278.21915	8.6
291.19614	3.2
298.16690	2.1
396.31024	1.4
417.17178	1.9
435.18564	4.6
461.20181	5.6
479.20938	1.5
497.22427	2.1
517.34357	1.4
526.26324	1.4
659.01831	1.5
695.40057	4.8
696.40826	1.6
721.41284	7.7
739.42780	5.2
757.43799	8.6
804.60278	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
63.34103	2.9
63.62034	3.5
69.73129	3.3
78.95787	5.8
89.79170	2.9
90.40343	3.3
93.03338	6.6
96.95897	4.4
98.20004	19.9
98.20673	5.9
109.02865	4.7
121.02816	8.8
122.03619	14.5
125.02361	5.7
137.02321	17.9
140.86757	3.2
149.02353	37.3
149.06038	4.0
150.03137	100.0
151.00281	10.9
151.03734	3.2
152.04674	3.9
164.04660	8.9
165.05481	97.8
166.02615	26.7
177.05428	3.5
179.07088	4.6
180.04172	6.2
181.04999	29.5
195.06560	48.7
205.05069	6.4
220.07326	5.1
229.28503	4.6
267.06583	5.1
323.05640	3.6
329.22488	3.7
387.14490	9.2
417.15585	35.5
418.15640	5.1
431.17923	3.2
471.16699	4.2
535.16071	4.6
565.20746	54.2
566.21075	9.5
595.21991	8.7
597.23383	13.9
641.35370	7.5
745.29059	4.5
793.43988	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	793.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	8.5
71.01246	15.8
71.57894	2.1
73.02831	2.4
78.95783	1.9
83.04927	2.0
85.02835	1.7
87.00769	1.6
89.02348	4.0
95.19411	1.5
97.02773	1.5
99.00772	1.8
101.02338	3.5
105.22835	1.4
109.06507	1.7
113.02351	1.9
125.09606	3.0
131.01137	1.7
136.75864	1.7
146.54709	1.6
161.04451	1.9
171.10181	13.2
181.08612	2.1
181.12215	2.4
199.09676	16.4
199.13322	2.2
201.11292	14.9
207.10263	12.2
223.13312	9.1
225.11258	13.0
235.08171	10.0
235.92728	1.5
245.88820	1.7
253.09262	12.7
259.20676	1.9
277.21716	100.0
278.22079	5.1
291.19742	12.4
320.33807	1.5
368.61267	1.5
427.62192	2.1
443.19061	2.0
461.20132	2.1
564.42767	2.1
615.74219	1.7
695.39880	4.7
721.41431	4.5
739.42072	5.8
757.43567	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	792.5758
Annotation	Unknow
Peak:m/z	Relative Intensity
61.55942	0.8
66.30582	0.7
71.58076	0.9
71.58459	0.9
78.95773	11.2
96.96856	0.8
99.88059	0.7
125.02266	0.8
127.98979	0.8
152.99492	2.7
157.25612	0.8
168.04338	1.1
183.13834	36.5
184.14178	1.7
224.06873	3.5
255.23260	30.3
256.23648	2.1
279.23279	5.4
293.21133	0.8
297.15298	2.1
297.24353	100.0
298.24667	8.5
311.16882	1.0
312.17365	0.8
313.17068	0.8
398.12836	0.8
435.61469	0.8
480.30966	20.9
481.31491	2.6
516.76587	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16478	0.2
57.70514	0.2
59.01252	3.7
63.17989	0.2
70.93017	0.6
71.01250	0.4
73.02817	0.5
83.01260	0.4
101.02325	0.8
106.04140	0.4
123.04401	0.5
131.04935	1.1
132.05701	2.3
133.06488	100.0
134.06816	4.4
147.04405	0.2
148.05202	27.9
149.05525	1.2
161.04474	0.3
163.07556	30.3
164.07898	1.4
192.06787	0.2
203.05536	0.8
226.08385	0.2
312.36722	0.2
337.12936	1.2
367.13629	0.3
379.94211	0.2
547.81842	0.2
771.91296	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.7
71.01251	0.2
73.02821	3.6
75.00753	0.7
78.95778	2.1
91.36206	0.2
99.00750	1.8
99.92458	10.5
100.92470	0.4
114.93329	0.5
116.92744	100.0
116.97132	9.9
117.01823	5.2
117.05451	0.4
117.92754	3.7
132.16212	0.2
152.99474	1.1
230.53052	0.3
277.21713	0.5
303.69241	0.2
335.17563	0.9
356.75906	0.2
397.13708	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.6
61.98716	0.2
62.01690	0.2
71.01243	0.2
71.57999	0.4
73.02821	3.8
75.00757	0.6
78.95793	0.2
89.02305	0.3
99.00742	1.5
99.92466	9.8
100.92462	0.3
114.93306	0.6
116.92751	100.0
116.97132	6.0
117.01823	6.6
117.05397	0.2
117.92755	5.2
117.93569	0.4
125.02359	0.4
130.55029	0.2
158.95532	0.2
170.19598	0.2
171.10146	0.3
195.17674	0.2
197.11766	0.2
209.11768	0.3
238.26443	0.2
253.09288	0.2
277.21729	0.4
293.21313	0.3
335.17441	0.5
397.13248	0.3
415.14490	0.2
431.30322	0.2
444.63208	0.2
505.01810	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48125	3.2
58.18168	3.0
59.01253	16.2
61.98695	3.9
67.75626	3.3
71.01254	25.9
71.50327	6.2
76.18124	3.8
78.95771	33.6
83.04929	5.6
88.68938	3.3
89.02348	5.6
94.68722	3.1
96.95902	5.4
97.02876	5.7
101.02330	10.5
109.02903	3.5
109.06469	20.2
113.02374	3.7
115.23363	3.9
125.02359	11.5
127.11175	4.4
152.99478	11.3
161.04585	4.3
163.11212	14.9
165.12764	3.6
169.01402	5.1
171.10194	20.4
181.12260	3.8
184.93736	3.6
195.13956	5.4
198.39610	3.2
199.13025	3.2
207.10201	62.2
208.40906	3.2
209.11797	77.2
211.13290	11.1
225.11278	36.0
227.12920	10.2
235.08092	5.3
253.09239	33.7
275.20151	7.0
291.19666	100.0
292.20010	6.7
293.21280	59.9
294.21609	6.9
298.18292	3.6
311.22400	12.6
329.23459	6.7
371.75357	3.1
429.09854	3.3
434.68359	4.3
461.20233	12.3
705.33105	3.8
706.32312	4.5
737.41010	6.6
738.41620	5.1
791.47723	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	791.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	5.5
61.98702	3.9
65.96562	2.0
71.01266	10.3
71.58536	2.2
71.58881	2.3
78.95782	35.2
83.04903	3.5
85.02816	2.9
85.44946	2.0
89.02341	3.4
96.95868	2.3
99.89890	2.3
101.02332	2.6
109.06467	2.7
125.02352	6.5
152.99496	8.8
155.38599	2.2
163.11209	3.8
169.01366	3.2
171.10229	10.4
197.11792	2.4
207.10168	4.8
209.11763	100.0
210.12111	4.2
211.13376	6.4
214.84500	2.2
225.11307	4.7
225.55296	2.2
227.12839	29.7
235.08218	2.9
253.09251	13.8
285.34091	2.3
289.18280	3.7
291.19626	45.9
292.20035	6.4
293.21344	12.2
307.18903	3.3
311.22382	3.9
327.21759	3.2
329.23416	5.5
372.55124	2.2
445.19794	2.4
463.21222	3.9
705.33221	6.1
791.47357	5.7
792.46960	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95770	11.7
98.20616	20.3
109.03638	13.0
116.71053	11.3
152.99475	19.7
184.23056	11.8
209.11755	100.0
277.21805	69.5
278.22070	12.9
279.19666	15.0
703.25317	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	791.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	10.7
69.07023	8.5
71.03657	9.0
78.95774	100.0
79.06812	9.9
125.02269	16.9
137.02306	13.7
152.99454	50.8
171.10167	14.4
189.26190	10.1
211.13339	35.2
293.21094	33.5
311.22198	10.6
313.41669	9.4
324.52216	8.6
343.24734	13.2
369.92593	9.2
465.22406	10.6
465.66602	10.4
479.24078	13.7
526.45905	9.7
535.98944	8.8
791.46881	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01230	4.2
71.01261	7.8
72.49164	3.9
73.09059	3.9
89.02371	4.0
94.89511	4.7
111.08059	9.5
116.92732	7.3
157.46072	4.1
197.11745	19.5
209.09891	6.8
209.11789	100.0
210.12071	6.4
211.13327	7.7
223.39407	4.6
227.12805	28.2
235.08139	5.9
253.09256	20.7
273.52289	4.9
291.19586	19.2
309.20743	80.7
310.20914	6.1
339.59500	4.4
344.70392	4.0
501.32297	4.4
543.83704	5.6
739.29822	5.0
765.38702	5.2
791.39435	26.9
792.40210	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	791.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	11.8
58.42103	3.2
59.01254	60.6
69.39740	13.3
69.40166	21.3
71.01245	41.6
72.99172	7.5
75.00759	7.3
83.01252	7.0
85.02827	49.0
87.00748	4.4
89.02306	28.9
93.03334	6.7
95.01254	9.3
96.95879	11.5
97.02798	4.7
99.00724	5.1
101.02343	21.2
109.02827	5.3
111.00766	5.5
113.02317	15.0
117.03426	5.6
119.03386	10.4
119.04914	11.6
121.02890	7.1
123.00772	10.3
123.04383	6.8
124.01543	9.2
125.02348	44.9
129.01874	4.9
133.02835	6.3
134.03618	4.5
135.04414	5.9
137.02315	11.5
138.03076	3.7
139.00241	16.8
145.02847	9.0
147.04424	7.0
149.02351	7.7
150.03123	13.5
151.00273	37.0
153.01846	7.6
159.04338	4.6
161.02338	13.0
162.03151	93.9
163.03807	15.3
165.01810	5.4
165.05472	11.8
166.02628	68.6
167.03374	6.7
168.00432	4.7
169.01311	12.9
174.03146	5.8
175.03914	14.1
177.01857	19.8
177.05490	57.7
180.04237	3.8
181.05011	99.9
187.03899	5.2
189.01808	6.3
191.01849	11.3
191.03452	11.9
192.04135	12.8
193.05013	12.2
195.06601	11.4
203.03520	26.4
204.04033	7.6
205.05020	4.3
207.06509	13.5
218.05830	20.9
219.06517	10.5
221.04492	10.7
233.08179	23.7
234.05174	4.3
236.06789	31.0
243.02980	4.8
249.07730	7.5
251.06721	4.4
251.09239	68.1
271.06302	4.1
285.04147	4.0
288.20197	3.6
289.07156	6.5
301.03421	7.2
313.07333	4.6
314.24023	4.1
325.07303	4.7
331.54086	4.4
339.08618	7.6
355.08041	6.1
358.10507	11.2
373.13025	18.0
432.14069	46.3
433.15115	57.1
434.15259	7.0
437.07538	4.5
463.12735	6.1
593.20050	9.6
701.20984	4.2
734.45404	5.1
791.27618	100.0
792.28558	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	791.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	1.8
59.01252	17.8
61.65306	0.8
71.01247	3.3
71.59769	1.2
85.02830	3.5
93.81013	0.9
99.00782	1.0
109.29672	0.9
113.02353	4.6
125.02311	2.3
175.02333	1.2
179.14197	1.1
195.13896	1.1
197.15390	11.5
225.14928	16.1
226.15283	1.6
229.05107	5.2
243.15994	100.0
244.16306	6.1
257.04453	2.2
262.71771	0.9
285.04050	33.5
285.17087	47.4
286.04382	2.3
286.17316	2.3
461.07153	10.6
462.07101	1.0
490.03009	0.9
689.07751	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.8
59.01249	19.1
61.98697	6.0
71.01255	100.0
71.58259	3.7
73.02828	3.3
79.41113	3.3
79.95641	2.8
81.03361	2.8
83.04910	3.8
84.03739	2.8
85.02819	5.2
87.00741	10.9
88.03939	3.6
89.02322	7.2
96.95889	59.6
97.02833	6.9
97.06479	3.9
99.00774	4.0
101.02326	6.8
109.06467	6.7
111.08032	5.8
113.02334	8.5
116.92736	9.3
125.02309	6.2
125.09584	7.2
125.43269	2.6
161.04527	4.9
163.11186	9.3
169.01311	5.1
171.10184	97.1
172.10484	4.3
174.83179	3.3
185.11740	3.6
197.11792	27.1
199.09669	11.4
199.13348	7.5
201.11270	34.8
207.10175	17.5
209.11775	84.2
210.12154	6.2
211.13425	17.1
212.88602	3.5
225.11301	18.4
227.12830	14.9
235.08192	8.1
248.37814	3.2
253.09250	30.3
254.09651	3.6
289.18130	47.9
290.18280	5.8
291.19623	26.2
307.19165	10.9
309.20679	40.5
310.21063	4.2
327.21799	4.9
343.24817	16.5
461.20251	5.5
525.27252	4.2
724.45386	3.8
753.39941	3.3
789.42834	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	789.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	2.7
57.03321	5.0
59.01252	17.7
61.98705	4.8
69.03326	2.3
70.16205	6.2
70.16620	5.5
71.01251	100.0
73.02828	4.8
80.02565	2.7
81.03371	2.6
83.01275	3.6
83.04900	4.4
85.02811	6.8
87.00749	5.0
89.02308	11.2
95.01180	2.6
96.95901	18.9
97.02840	7.6
97.06470	3.9
99.00758	5.6
101.02320	13.3
109.06481	4.8
111.08047	8.0
113.02342	7.5
116.92748	8.7
123.04360	3.1
125.02320	6.2
125.09610	7.4
127.11158	3.2
152.55869	2.1
155.10669	2.9
161.04477	5.5
163.11223	7.6
165.12680	3.6
169.12227	3.8
171.10193	74.4
172.10719	2.6
181.12340	4.7
185.11771	2.7
191.10741	3.4
197.11775	37.4
198.12076	2.4
199.09648	8.3
199.13272	5.8
201.11269	55.5
207.10240	14.3
209.11771	84.6
210.12149	6.0
211.13409	12.4
214.07724	2.3
218.40076	2.2
225.11292	23.5
227.12901	12.3
235.08203	7.8
253.09306	36.1
263.20068	4.3
265.17825	2.2
289.18036	14.9
290.18369	3.0
291.19730	28.7
307.19232	13.3
309.20685	55.1
310.21057	5.0
327.21573	4.6
327.61356	2.8
343.24866	9.4
461.20230	3.9
598.11487	2.5
614.79803	2.4
622.57336	2.6
745.40326	4.0
771.42096	6.3
786.18146	2.5
789.43024	19.2
790.43286	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	789.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02871	0.3
59.01254	1.5
61.98716	0.4
68.21858	0.3
71.01252	2.2
71.59237	0.4
73.02814	0.4
78.95771	2.8
79.95607	2.5
82.95280	0.3
85.02806	0.4
87.00753	0.5
89.02343	0.9
96.95895	100.0
96.96887	3.6
97.02843	0.4
101.02316	0.8
112.41677	0.3
113.02357	0.4
116.92733	0.4
125.02353	0.8
134.37221	0.3
163.11205	0.4
163.74742	0.3
171.10179	2.3
185.11752	0.7
197.11780	0.5
201.11212	0.7
207.10339	0.4
209.11783	3.7
210.12178	0.4
211.13345	1.0
223.13341	0.6
225.11337	1.2
227.12819	0.6
229.14397	0.4
235.08231	0.6
237.34071	0.3
253.09317	1.3
258.99585	0.4
293.21219	1.3
300.02649	0.7
309.20868	0.3
327.21951	2.5
327.59354	0.3
354.10010	0.4
393.77112	0.3
397.13589	0.6
415.14468	0.6
435.08130	0.5
453.09262	4.1
535.34155	0.3
549.46143	0.3
640.46863	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	14.2
61.98699	12.8
67.87959	4.6
69.95256	29.4
71.01260	39.9
75.00728	5.5
77.36105	5.8
78.17728	5.6
78.95775	48.5
83.26768	6.3
88.98689	25.9
96.95894	21.3
97.06511	6.3
97.56918	6.9
106.20447	5.3
113.91096	5.9
125.02361	12.0
132.13828	5.5
152.99515	25.5
163.00467	5.3
171.10170	33.7
185.11781	5.9
197.11821	7.6
201.11334	5.8
207.10156	9.6
209.11781	100.0
211.13348	10.5
223.13383	6.2
225.11276	10.7
227.12822	16.2
253.09248	28.2
289.18094	20.4
291.19669	22.3
293.21173	7.4
307.19110	21.3
312.08426	5.4
327.21655	13.5
335.25018	6.4
337.54730	5.3
391.61743	5.2
461.19647	8.4
463.21204	6.6
579.76538	5.4
623.80090	6.1
673.33160	5.5
771.41321	9.0
775.81464	6.2
789.37787	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	789.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.4
59.01253	100.0
71.01257	17.4
71.57369	2.1
71.57748	2.0
72.99185	1.7
73.02824	10.4
78.95776	2.3
83.01236	3.3
85.02826	5.4
89.02306	3.5
96.95898	5.3
99.00790	2.2
101.02316	14.5
113.02319	8.1
114.07264	1.5
125.02366	8.8
149.02345	2.5
150.03107	6.2
153.01910	2.1
161.04462	10.8
165.05472	4.9
169.01303	2.4
179.07091	2.3
180.04172	1.6
193.04887	2.0
195.06619	4.5
239.48009	1.8
241.05150	2.1
319.04678	1.8
331.17685	8.8
349.53040	1.6
353.70087	1.7
371.20572	2.9
373.18668	7.2
507.20276	2.0
537.22003	2.2
802.45276	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	789.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.4
59.01253	67.4
60.01580	0.9
69.61600	1.4
69.62006	4.0
69.92186	0.6
71.01255	14.9
72.99174	2.0
73.02817	10.2
75.00760	1.2
81.03333	2.8
83.01266	4.8
85.02831	8.2
87.00767	1.4
89.02323	4.0
93.03353	1.6
93.83764	0.7
95.01258	1.3
97.02839	1.2
99.00729	1.3
99.08058	0.9
101.02322	13.0
102.02628	0.7
109.02825	1.2
113.02332	8.5
119.03402	3.4
119.04871	1.1
121.02836	2.1
122.03651	3.5
123.08017	0.8
125.02338	9.8
125.05978	3.8
128.73880	0.8
133.02859	0.8
133.06419	0.9
135.04359	0.8
136.01558	0.7
137.02266	1.7
143.03400	2.0
145.02841	1.2
147.08141	0.8
149.02357	6.6
149.04430	2.2
150.03145	23.6
151.00278	1.8
151.03658	1.1
152.01062	1.1
152.31999	0.8
161.04478	7.1
162.03127	1.6
164.04694	1.1
165.01820	1.7
165.05492	26.8
165.09119	17.5
166.05914	1.6
167.03474	0.8
169.01335	2.2
174.01543	0.8
175.03909	1.8
177.05516	1.8
179.03242	0.8
180.04182	2.7
189.05331	0.8
190.06329	1.5
191.01929	0.9
191.07074	2.5
195.06564	24.1
196.06891	2.0
205.08641	1.7
208.07393	1.3
209.08141	100.0
210.08507	4.2
213.31061	0.8
221.06544	1.7
251.09183	0.9
269.23267	0.7
285.04221	1.4
313.16855	1.0
331.17773	4.3
359.14938	9.2
366.49039	0.9
371.13382	12.5
372.13702	1.1
373.18796	3.6
389.16620	0.8
417.16367	1.2
417.21326	6.3
507.19379	0.9
537.21680	1.3
585.23749	4.0
653.38867	0.8
660.15381	0.9
682.26306	1.0
789.31659	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	0.8
59.01252	74.3
67.28738	0.7
70.28310	3.3
71.01253	15.3
73.02813	6.3
73.47192	0.7
81.03329	2.8
83.01244	3.5
84.00129	0.7
85.02831	3.6
85.99960	2.0
87.00727	1.5
89.02314	6.2
90.08186	0.8
93.03338	1.0
99.00758	1.4
101.02325	11.3
113.02347	6.8
119.03385	2.9
121.02854	3.2
122.03728	4.2
123.04008	0.8
123.08013	0.9
125.02311	7.2
125.05984	2.9
128.73642	0.7
135.04411	2.3
136.01524	4.7
137.02295	0.8
143.03398	1.5
149.02354	5.9
149.04427	1.5
150.03134	18.9
151.00276	2.5
151.03828	6.8
152.03690	0.8
159.06519	1.2
161.04491	6.6
164.04671	1.1
165.05492	16.6
165.09137	18.0
166.02646	3.4
166.05817	5.6
167.03264	2.5
167.06021	2.3
169.01305	1.3
175.03841	1.1
179.05519	2.2
181.04984	3.8
182.05354	1.2
190.06271	0.9
191.06993	0.8
195.06592	9.3
196.06956	4.3
197.07083	2.0
203.05510	1.2
209.08138	100.0
210.08397	4.4
221.06570	1.2
242.46661	0.9
251.09346	0.9
291.10950	1.5
313.16617	3.2
331.17664	6.1
343.11926	0.8
355.17419	2.3
356.12225	1.0
357.13290	1.1
358.13943	1.1
371.13452	11.3
373.18707	6.6
387.14584	4.3
388.14777	5.6
389.15131	4.2
390.14853	0.9
398.99673	0.8
535.19672	3.5
536.20319	5.9
537.20349	9.9
583.21698	0.9
584.22186	1.2
585.22925	5.0
644.25500	0.9
669.78180	0.9
687.63367	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.298
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46316	1.2
59.01245	4.9
65.72602	1.0
70.20694	1.1
82.66642	1.2
91.66575	1.2
93.03310	5.9
101.02277	1.1
109.02851	3.9
116.92773	5.5
121.02850	11.2
122.02836	1.3
122.03646	14.2
123.04381	1.5
124.01593	1.7
125.02305	3.1
132.02097	1.3
133.02844	4.2
134.03642	3.0
135.04445	5.9
136.01477	1.5
137.02368	3.2
137.75087	1.1
139.00301	1.3
145.02849	1.8
146.03650	1.8
147.04419	4.2
149.01228	2.4
149.02361	34.5
149.05963	4.3
150.03140	100.0
151.03589	4.3
161.02292	1.5
161.05865	1.5
163.03908	7.2
164.04672	7.7
165.05492	92.8
166.05794	3.6
167.03452	2.1
174.03065	1.8
175.03908	10.6
176.04623	2.7
177.05473	4.5
179.03439	1.2
179.07059	2.2
180.04221	16.0
181.04816	1.5
188.04689	2.9
189.05508	4.6
190.06308	13.9
191.07050	11.9
193.04953	7.6
194.05774	10.1
195.06570	57.7
196.06844	1.7
205.08669	12.5
207.06583	5.2
208.07375	8.2
261.20999	1.1
314.11722	1.2
327.12390	1.3
335.95120	1.1
344.12674	3.3
345.13358	4.2
357.13437	3.9
358.14383	2.4
359.15021	55.1
360.15506	5.8
389.15903	5.4
431.17029	2.0
479.16837	1.2
507.20370	3.3
537.21289	68.3
538.21838	7.4
564.29620	1.4
579.22430	2.3
585.23389	35.6
586.23737	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	789.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.5
58.00477	1.2
59.01253	33.8
63.38375	0.7
64.24992	0.7
71.01254	25.6
71.23488	1.6
72.01573	0.8
72.99179	2.4
73.02824	1.8
75.00759	1.9
78.95778	0.8
81.03319	0.9
83.01271	1.7
85.02849	6.1
87.00762	2.5
89.02324	36.2
93.03348	1.2
95.01288	3.2
95.04910	0.7
96.52386	0.7
96.95908	4.9
99.00758	1.2
101.02325	15.7
109.02851	4.4
111.00729	0.8
113.02337	15.2
119.03385	16.5
119.04815	1.2
121.02821	1.7
123.00771	5.1
123.04394	1.0
124.01556	2.6
125.02331	7.8
131.03403	2.8
133.02867	1.0
135.04407	1.6
137.02350	13.7
139.00336	1.0
139.03926	3.0
143.03395	4.9
145.02873	0.9
147.04428	1.1
149.02361	2.8
149.04453	1.7
150.03131	1.1
151.00282	38.3
151.03917	3.5
152.01033	3.2
152.04724	2.9
153.01805	0.9
154.02544	1.0
159.04451	0.8
161.02336	2.5
161.04465	4.9
163.03922	2.6
164.00996	0.7
165.01851	3.1
166.02640	92.2
167.03314	7.2
168.00395	1.0
169.01344	3.5
173.02374	1.3
175.00322	0.8
175.02623	0.7
175.03918	4.0
176.04770	1.0
177.01886	5.7
177.05478	1.3
179.03410	1.5
179.05557	13.3
179.07036	0.8
180.04166	0.8
181.04994	100.0
182.05365	3.1
184.03693	1.2
187.03966	1.0
187.78586	0.7
189.05490	0.9
190.02702	1.6
190.06296	1.6
191.01973	0.9
191.03450	4.6
192.04140	1.5
193.04993	2.5
194.05751	1.0
195.02899	1.0
195.06635	1.6
203.03410	1.6
204.04266	1.0
205.05022	5.0
205.08731	1.6
206.05759	3.0
207.06577	2.1
209.08125	2.4
209.11887	0.9
211.96834	0.9
217.04962	1.2
218.05774	1.2
219.06589	2.2
220.07361	1.7
221.04436	0.8
221.08154	2.6
229.04984	0.9
233.08167	1.4
281.04489	1.1
285.04044	1.7
301.07053	1.1
301.10394	0.8
302.29642	0.9
316.09738	0.9
324.06094	0.8
329.10608	1.1
339.08807	1.9
357.09671	1.1
359.11520	3.4
371.13718	2.8
372.12332	2.9
373.12531	0.8
387.10822	20.8
387.14767	9.0
388.10986	1.1
399.14490	7.2
402.13168	10.4
403.13828	2.2
411.16809	0.9
417.15552	97.9
418.15857	9.8
597.22815	0.8
627.24670	3.1
771.29041	1.2
789.29462	5.1
790.30554	0.9
814.68188	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02853	6.1
63.36034	3.9
66.83054	4.1
67.60397	3.8
71.58329	4.8
71.58713	5.0
74.02364	5.6
84.04417	4.7
125.02340	100.0
126.02687	5.6
131.03693	9.3
132.04413	4.9
157.07588	9.3
158.06041	11.7
169.01341	76.1
169.02745	5.3
175.08673	5.1
252.09093	4.5
261.08755	32.7
288.96561	4.2
313.05582	8.5
331.06711	25.4
439.08670	40.6
483.07849	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84081	0.3
57.03316	1.2
59.01249	2.8
61.98689	0.5
64.70213	0.4
65.00182	0.8
69.26917	4.3
71.01260	1.5
73.93861	0.3
75.00725	0.4
78.95775	0.5
81.03333	4.7
82.08532	0.3
83.01263	1.5
83.04874	0.3
85.02834	1.0
85.06474	1.2
87.00804	0.4
87.04391	0.6
96.95891	6.9
98.19736	0.7
101.02319	1.0
109.06473	3.3
111.04399	3.1
113.02295	1.0
114.27608	0.3
119.04901	0.7
120.71161	0.4
125.02338	9.8
127.07538	0.5
133.06512	0.6
135.04422	0.4
136.05182	1.0
137.02306	0.6
149.02356	0.7
151.00281	0.6
151.07561	31.2
152.07881	1.3
154.40915	0.4
159.04410	0.6
161.02429	0.4
167.03235	0.4
169.01323	0.8
171.10196	1.1
177.01765	0.6
177.05515	0.9
187.03951	1.7
188.04791	2.0
195.06567	100.0
196.06905	4.8
209.08243	0.5
209.11736	2.5
211.07527	0.5
212.04884	0.4
214.02689	0.6
215.03418	1.0
216.04253	2.3
219.06529	2.7
225.11279	0.6
227.03525	0.4
229.08614	0.7
231.02972	0.4
237.07710	0.8
239.07140	1.4
241.05029	0.6
253.09218	0.7
255.06651	1.1
257.08206	3.0
261.07849	0.6
273.07797	0.4
283.06226	2.5
285.07837	0.5
301.07114	0.8
327.21942	0.9
343.08310	0.4
343.21219	0.8
370.37921	0.4
372.58438	0.4
403.10480	0.7
445.11133	1.7
489.10428	2.9
544.65710	0.4
623.17786	0.6
641.18787	5.7
642.18842	0.6
685.17755	3.8
686.18726	0.5
715.58380	0.4
788.36237	0.6
823.97668	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03346	3.0
59.01241	9.3
63.44736	1.8
70.97054	3.9
70.97393	3.9
71.01258	25.6
71.01621	3.2
75.00737	3.0
78.59164	1.8
78.95780	6.4
85.02791	3.7
87.00756	4.5
89.02325	5.9
94.90187	1.8
95.04924	2.0
96.95910	6.0
97.02834	3.9
99.00766	4.8
100.10824	2.0
101.02314	5.6
109.06457	2.6
111.08070	2.2
113.02329	6.9
125.02306	4.4
136.07091	1.8
161.04468	3.5
163.11241	4.2
165.12772	3.4
169.12233	7.9
171.10167	17.5
177.51274	2.2
181.12250	3.4
185.11775	4.0
195.13831	2.4
197.11781	26.4
199.09712	2.8
199.13289	5.1
201.11224	5.9
207.10201	3.8
209.11771	100.0
210.12152	3.5
211.13348	6.7
213.11255	2.2
225.11246	5.6
227.12843	10.1
235.08112	5.2
253.09242	13.9
259.15439	4.8
263.20267	2.0
289.18088	4.7
290.19070	2.2
291.19754	15.0
307.19159	6.2
309.20682	34.4
310.20987	3.2
334.80380	2.1
341.23526	2.6
445.20035	2.4
752.40948	2.5
769.39911	8.1
787.41064	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	787.4482
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.7
59.01246	4.4
61.98703	1.2
68.10010	0.4
69.03329	1.3
69.87910	2.1
71.01254	3.8
72.99164	0.5
73.02837	0.6
74.24854	0.3
74.57302	0.3
75.00756	0.4
78.95802	0.5
79.95606	0.5
80.02551	1.0
81.03351	1.9
83.01261	0.4
83.04897	5.1
84.02030	2.1
85.02827	1.9
87.00763	2.5
89.02317	3.2
95.01294	0.5
95.04922	1.0
96.95890	16.5
97.02824	0.5
97.06468	5.5
98.20425	0.5
99.00771	0.7
101.02332	3.7
109.06482	0.5
111.08070	0.4
113.02322	2.5
119.03385	0.8
120.22761	0.3
125.02303	0.9
125.05946	0.9
125.09623	1.3
127.11202	0.4
135.08060	1.2
137.09625	0.6
145.04903	0.4
161.04530	1.9
163.11205	4.4
165.12779	2.6
171.10182	8.1
177.12863	0.6
179.05554	0.5
181.12256	0.6
185.11703	0.6
191.10754	0.8
193.12265	5.8
194.12679	0.5
197.11807	0.9
199.13309	0.4
201.11246	1.2
209.11772	100.0
210.12076	4.5
211.13289	1.9
215.13005	0.4
220.90851	0.4
225.11479	0.7
225.14917	9.4
226.15154	0.7
227.12823	10.8
235.08215	4.5
243.15991	4.4
253.09254	13.7
253.14519	0.8
253.49890	0.4
291.19586	0.7
305.17581	0.4
305.21484	0.3
309.20502	0.5
323.22171	0.8
325.20282	0.5
333.10272	0.4
341.23306	64.7
342.23611	4.6
445.20712	1.0
533.34729	1.8
548.57147	0.4
551.36047	0.5
577.32361	0.9
583.15582	0.5
718.20526	0.4
787.41418	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	787.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	0.8
59.01239	2.4
60.01585	1.0
62.02961	0.8
69.03312	1.2
71.01244	3.3
72.99167	1.2
75.00742	1.1
79.63497	0.8
85.02836	1.4
89.02348	0.8
95.01252	2.2
96.95896	4.1
98.20657	1.6
101.02302	2.1
103.39072	0.7
107.01267	4.5
111.00755	2.6
113.02347	1.5
119.03417	0.8
123.00761	14.9
125.02338	19.2
127.00249	1.1
136.98682	2.8
139.00232	4.9
140.01056	6.4
140.95810	0.8
141.01804	2.5
151.00267	8.7
153.01924	1.2
168.00571	10.4
169.01335	28.7
170.01640	0.7
177.03966	3.5
179.52661	0.8
211.02409	3.9
232.58844	0.8
271.04535	2.3
313.05731	1.5
323.57370	0.9
329.05411	1.0
346.04837	0.8
369.14423	0.8
389.86563	0.9
395.62210	0.8
397.11539	4.3
546.66858	0.9
635.30688	100.0
636.30951	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	787.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	20.9
59.01242	50.6
61.98698	26.5
69.42552	12.5
70.43853	14.3
71.01247	73.6
71.58595	20.6
72.99179	24.5
75.00740	37.1
78.95766	25.6
85.02819	41.1
87.00759	25.0
89.02316	21.2
99.00749	27.5
101.02315	18.2
106.43686	16.4
109.06456	16.7
111.08016	16.1
113.02312	52.9
125.02333	39.2
169.01361	20.4
171.10139	31.7
175.09085	15.8
181.12421	16.2
181.36884	13.8
183.13824	96.9
195.13878	29.3
197.11804	25.4
207.10181	41.3
209.11853	98.3
211.13390	21.7
223.13409	38.7
225.11275	42.5
227.12852	29.3
241.47739	15.5
253.09239	33.3
277.21692	22.1
281.46149	15.2
291.19547	21.0
295.22791	68.9
309.20734	27.6
327.21588	16.8
671.32709	16.3
753.72278	17.0
755.42041	85.8
756.41858	30.4
787.44049	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	787.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58894	0.8
57.03307	1.7
58.00453	1.3
59.01252	100.0
60.01587	1.2
68.58439	0.9
69.03313	1.9
69.55320	4.8
69.55754	3.0
71.01257	43.7
72.99186	1.5
73.02822	56.6
75.00730	1.2
79.95592	1.2
80.96383	4.6
81.03319	1.6
83.01260	18.2
85.02818	7.8
85.94043	0.9
87.00748	2.9
89.02319	12.5
95.01277	2.6
96.95882	1.2
97.02847	1.3
99.04428	1.0
101.02328	59.9
102.02639	0.9
108.02039	1.2
109.02811	2.1
112.01471	1.0
113.02329	18.9
113.66802	0.9
117.03354	1.3
119.03392	5.6
121.02851	2.5
122.03587	1.4
123.04425	2.2
125.02341	7.4
131.03397	5.5
133.02837	1.6
134.03589	1.7
135.04379	1.1
136.01553	11.9
137.02316	2.6
143.03418	6.0
145.02859	7.3
146.03648	2.2
147.04390	2.0
148.05225	1.7
149.02303	3.2
149.04485	6.3
150.03101	3.7
151.00252	3.6
151.03906	12.6
155.03433	1.3
161.02380	7.3
161.04469	13.3
162.03143	70.9
163.03558	3.7
164.04602	1.0
165.05460	1.9
166.02634	11.7
169.01309	1.6
175.03920	1.1
177.02129	1.7
177.05492	65.7
178.05885	2.6
179.03351	1.0
179.05545	1.6
179.07095	1.0
180.04192	1.9
181.05011	13.6
195.06491	4.7
203.05510	1.7
219.06462	1.7
221.06607	2.4
225.00697	1.2
339.10922	1.7
357.09802	3.0
357.13373	2.5
372.12350	1.9
387.14444	13.8
388.15149	1.7
394.05383	1.1
535.19666	3.4
547.19696	10.0
548.20349	1.3
787.35083	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	787.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	17.2
69.03320	1.2
70.73951	1.9
70.74352	1.6
71.01250	6.6
73.02811	7.1
83.01225	2.0
85.02854	1.0
89.02303	1.6
91.09937	0.8
93.03325	5.7
94.03632	0.8
95.01251	0.9
97.67389	0.9
101.02325	7.3
108.02038	2.4
109.02834	2.2
113.02319	2.1
119.03337	1.5
119.04881	1.4
121.02858	12.8
122.03621	17.3
123.00769	1.4
123.04424	1.9
124.01545	2.1
125.02350	2.1
132.01984	0.9
133.02802	2.2
134.03654	1.7
135.04428	8.9
136.01570	30.3
137.02390	6.5
138.03069	0.9
139.03877	1.9
147.04376	1.1
149.02354	33.1
149.04256	1.6
149.05989	1.8
150.03139	100.0
151.00307	5.9
151.03931	32.6
152.01019	2.2
152.04283	0.9
154.02573	1.2
159.04424	0.8
160.05209	2.1
161.04482	1.4
161.05992	1.4
163.03928	2.1
164.04706	6.4
165.05492	91.4
166.02632	19.2
166.05797	4.1
167.03401	4.0
169.01328	1.3
172.05051	1.1
174.03018	1.2
175.03915	5.0
177.01877	1.2
177.05501	2.3
179.07002	1.1
180.04233	6.4
181.04993	21.9
187.03951	0.9
189.05498	4.0
190.06322	7.3
195.06569	61.1
196.06894	3.0
205.05022	1.5
205.08595	1.4
221.08209	1.2
239.03589	1.1
241.08562	1.2
271.06345	1.1
277.99109	0.8
282.05295	1.9
284.06586	0.9
296.07080	0.8
325.07138	1.1
329.10181	4.1
339.08807	1.5
342.10892	2.3
345.96280	0.9
355.11798	1.2
356.12534	2.0
357.09756	6.8
357.13577	9.5
358.10141	1.0
369.13419	4.5
372.12030	4.5
373.12659	1.9
386.13779	2.4
387.14481	59.0
388.14880	4.7
505.18661	3.4
517.18842	1.1
535.19690	53.9
536.19952	10.0
553.20612	1.6
565.20593	1.4
583.21893	22.8
584.21881	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	787.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	1.1
59.01251	19.4
63.02268	1.0
71.01253	8.4
71.59821	1.5
72.99198	1.2
75.00754	2.7
83.01285	1.2
85.02828	9.0
87.00776	1.3
89.02325	1.0
90.88251	0.8
93.03326	2.2
95.01287	2.2
99.00755	2.4
103.00260	2.0
107.01287	1.1
109.02805	1.2
113.02341	13.8
116.41923	0.8
121.02813	1.5
129.01862	0.9
151.00290	1.3
159.04431	1.4
162.06763	2.0
163.00328	2.2
171.04442	0.9
175.02420	5.9
177.09099	3.2
182.03726	0.9
185.05980	2.2
187.03954	3.2
211.03900	2.3
213.05522	1.7
214.02718	0.9
221.08205	2.1
227.03453	3.9
229.05032	11.7
229.82857	0.8
230.05360	1.6
239.03435	1.4
240.03975	0.9
241.04965	1.5
255.02856	1.2
256.03781	1.1
257.04474	5.4
267.02841	1.1
285.04044	100.0
286.04379	7.9
307.94305	0.8
330.17514	1.0
391.16379	0.8
458.48569	1.0
461.07266	28.3
461.13922	1.3
462.07553	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	787.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.5
57.03323	0.7
58.00465	1.2
59.01250	70.2
60.01564	0.8
69.03313	1.3
71.01254	33.8
71.58311	1.1
72.99185	1.8
73.02819	32.2
73.78358	0.7
75.00764	1.9
83.01254	9.2
84.11128	0.8
85.02816	6.8
87.00762	2.2
89.02330	7.7
93.03354	4.1
95.01267	2.3
97.02827	1.3
101.02324	31.7
104.71200	0.8
108.02104	0.9
113.02318	13.8
117.31896	0.9
119.03416	5.2
121.02845	7.2
122.03624	14.9
123.00768	1.1
123.04374	1.4
125.02344	4.4
131.03395	2.3
133.02815	1.9
134.03673	1.3
135.04373	1.3
136.01547	4.1
137.02356	1.6
138.03079	0.8
139.03938	0.9
143.03387	3.6
146.03674	0.8
149.02350	30.0
149.04324	5.9
150.03128	100.0
151.03572	5.0
153.05453	1.3
155.03442	1.1
161.02394	1.1
161.04477	10.0
162.03117	5.9
163.03812	1.0
164.04700	5.2
165.05486	83.0
166.02605	1.9
166.05826	3.7
169.01379	1.3
177.05521	4.6
179.03342	1.2
180.04240	6.0
181.05008	1.3
195.06558	44.1
196.06900	2.8
203.05446	1.0
203.07076	1.5
209.06142	0.8
209.08035	1.4
215.03670	0.9
221.06578	2.7
223.05943	0.9
238.06337	1.9
268.07413	1.0
278.05713	1.0
283.09833	1.0
293.08450	1.2
294.05325	1.5
299.09595	1.1
308.10367	1.1
309.07690	3.2
312.06201	0.9
323.09183	1.1
324.09988	4.1
325.10724	1.2
326.11661	1.0
327.08777	2.4
339.08640	4.0
339.12360	11.9
341.13803	1.2
342.10950	2.2
354.11020	2.3
355.11658	1.4
357.13440	4.9
369.13379	15.5
370.13748	1.4
387.14383	5.0
411.14246	1.2
434.13135	1.3
449.16159	1.2
461.15707	1.1
479.20035	1.2
505.18979	2.1
517.18671	8.4
518.18683	1.3
535.19708	18.2
536.20123	2.2
561.19452	1.7
565.20892	0.9
573.19904	3.7
574.20068	1.3
583.21777	2.3
661.22778	2.0
679.23920	7.7
680.23755	1.5
697.25012	3.7
698.24042	0.9
727.26428	1.0
739.25824	8.0
745.26514	1.7
787.27808	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	786.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	100.0
62.98401	0.1
71.01269	0.1
71.07460	0.1
71.07799	0.2
78.95776	0.2
80.96412	0.3
94.98013	0.1
109.07932	0.1
119.61105	0.1
121.30886	0.1
125.78130	0.1
152.99533	0.2
165.25932	0.1
171.10213	0.1
209.11801	0.4
210.12201	0.2
253.09151	0.1
269.38440	0.1
277.21820	0.4
278.22208	0.4
279.22974	0.2
311.22217	0.1
347.94827	0.1
424.85562	0.1
474.22421	0.1
787.39966	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.1
Annotation	1,2,3,4-Tetragalloyl-alpha-D-glucose
Peak:m/z	Relative Intensity
64.73934	0.6
69.03313	0.7
69.57463	4.0
70.84177	0.5
71.01260	1.3
85.02849	0.6
95.01292	0.9
96.21500	0.6
97.02834	0.9
107.01266	3.9
113.02293	0.7
123.00762	3.9
124.01558	2.2
125.02341	100.0
126.02692	2.2
139.00275	1.8
140.01096	0.9
146.05820	0.6
151.00272	2.3
153.01845	0.7
166.99776	0.6
167.03371	0.9
168.00545	5.7
169.01347	82.0
170.01695	3.4
181.01514	0.6
193.01245	0.6
194.99268	1.1
211.02458	2.2
211.33803	0.5
241.03505	1.0
271.04581	1.8
272.79819	0.5
287.07736	12.6
288.08008	0.7
297.06186	0.7
313.05667	13.8
331.02762	1.2
331.06693	24.0
332.07007	1.1
439.08804	19.1
439.14850	1.1
440.09161	1.5
462.87585	0.6
465.06738	20.3
466.07010	2.4
483.07779	65.2
484.08096	7.0
588.65076	0.6
591.10052	1.1
635.08887	9.1
636.09308	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	787.1
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	2.1
59.96918	0.7
69.03320	1.0
71.01260	1.2
71.57140	1.4
73.04800	0.6
95.01250	0.8
97.02839	1.6
101.02348	0.8
102.35781	0.7
107.01260	3.7
123.00794	3.8
124.01597	2.3
125.02337	100.0
126.02708	2.6
137.02345	1.5
139.00281	1.0
140.01085	1.2
145.20549	0.7
151.00290	2.5
166.99791	0.8
167.03381	1.7
168.00568	6.4
169.01337	86.6
170.01701	3.5
177.01735	0.9
185.32622	0.6
193.01276	0.8
194.99229	1.0
211.02426	8.9
241.03468	0.9
271.04599	14.7
271.07538	0.7
276.97046	0.7
287.07687	10.8
288.08279	0.7
313.05624	13.5
314.05902	1.4
331.06705	25.0
332.06964	0.9
439.08746	20.0
440.09140	1.5
465.06784	12.4
466.06699	0.9
483.07791	91.5
484.08176	9.0
591.09723	7.7
617.07367	1.0
635.08893	25.3
636.09045	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	785.4693
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	16.2
59.63947	1.8
61.98697	2.6
71.01270	2.4
71.58244	1.9
71.58665	2.1
78.95775	3.9
113.02312	2.2
132.26921	1.6
139.04031	1.6
153.64006	1.7
169.12285	7.7
173.39850	1.7
197.11778	100.0
198.12111	6.9
209.11732	4.8
253.09326	6.3
269.25040	1.7
277.21753	46.2
277.24426	1.9
278.22162	3.7
279.23074	2.5
293.21323	1.9
362.42410	1.9
433.20706	9.7
490.43045	1.8
512.49603	2.1
545.80872	1.8
568.33569	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	785.4701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	21.5
61.98704	3.4
65.78310	1.2
71.01262	2.6
71.06898	3.6
72.99194	1.4
73.02828	1.5
76.12400	1.1
85.02835	1.6
89.02340	1.3
92.02722	1.1
101.02343	3.0
106.47731	1.3
109.12592	1.1
152.99428	1.4
161.04401	1.7
169.12231	6.1
197.11772	74.4
198.12157	2.5
209.11783	4.1
235.08179	4.7
253.09326	9.7
277.21741	100.0
278.22192	5.8
279.23233	3.7
433.20569	2.6
441.08469	1.3
513.30682	1.8
527.21387	1.2
661.30750	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81821	0.1
59.01257	0.2
59.90440	0.1
61.98705	100.0
62.98425	0.2
70.15799	0.2
70.16193	0.2
71.32488	0.1
73.86938	0.1
78.95797	0.3
80.96400	0.3
98.20433	0.2
125.02328	0.1
129.91734	0.1
144.47261	0.1
156.24478	0.1
203.77924	0.1
209.11719	0.6
210.12137	0.3
224.39462	0.1
277.21805	0.4
278.22296	0.2
279.22498	0.1
295.22784	0.1
311.22275	0.1
313.38986	0.1
393.19815	0.1
674.51001	0.1
700.97900	0.1
786.48969	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	0.4
57.03332	1.3
59.01253	6.3
61.98714	0.7
71.01257	6.4
71.07143	0.9
72.99184	2.1
73.02834	0.8
75.00746	7.6
78.95736	0.7
80.02566	0.6
83.01248	0.6
83.04905	1.2
84.02052	0.5
85.02825	8.1
87.00744	2.9
89.02332	1.7
95.01265	2.1
97.06494	0.4
99.00770	4.3
103.00249	1.0
108.15935	0.5
108.90055	0.6
109.39372	0.5
113.02342	7.4
115.00228	0.8
116.92751	1.0
117.01843	0.9
118.92543	0.5
121.02845	100.0
122.03173	4.5
125.02349	0.6
136.01549	0.8
163.11133	1.1
165.01865	2.2
165.12852	0.7
169.12318	1.0
171.10226	0.7
175.02394	1.2
181.06554	1.8
181.12334	0.5
191.03444	1.7
195.13811	3.1
197.11765	10.4
209.04497	65.4
209.11772	13.7
209.13760	0.7
210.04823	4.6
210.12111	0.9
211.13315	0.8
223.13344	3.7
225.05537	2.2
225.11325	0.6
227.12939	0.9
235.08026	0.7
249.06049	0.9
253.09227	1.4
275.20166	1.1
289.18130	2.4
291.19632	1.2
293.21243	8.5
309.20712	2.9
313.07089	5.5
357.06287	1.7
401.08765	9.9
402.09210	1.6
433.20541	1.0
543.28693	1.2
701.80902	0.6
735.40118	0.8
753.40619	25.6
754.19617	0.6
754.40894	5.8
785.43256	19.4
786.43427	4.3
809.90363	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
66.01006	0.3
71.01230	0.2
77.03848	0.2
78.95766	0.5
88.32048	0.2
91.01778	0.3
98.19837	0.7
98.20525	0.8
103.41468	0.2
108.02095	0.2
108.90073	1.0
120.02071	0.6
121.02840	100.0
122.03172	2.5
134.50400	0.2
136.01546	0.7
165.01830	2.5
180.05762	0.2
181.05005	0.4
181.06479	2.6
191.03441	2.4
209.04488	64.6
209.37689	0.2
210.04802	3.0
221.08452	0.3
225.05544	2.3
229.35301	0.2
312.54074	0.2
313.07166	4.6
314.07523	0.4
357.06024	1.9
358.06192	0.2
401.08749	10.7
402.08939	0.7
549.10107	0.4
574.95148	0.3
785.16949	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.4
55.15223	1.3
57.03306	3.1
58.00466	2.2
59.01252	37.1
61.98710	1.5
69.03313	3.6
69.54113	7.5
71.01255	36.2
72.99168	4.4
73.02805	5.1
75.00745	3.1
78.95762	1.9
81.03318	1.7
83.01262	4.3
83.04894	2.5
85.02809	8.5
85.87508	1.2
87.00770	9.4
89.02319	27.1
95.01267	3.2
95.04883	1.3
96.95888	22.3
96.96821	1.7
97.02827	4.0
97.06480	1.2
99.00745	3.7
101.02324	20.0
109.02802	1.9
109.06437	1.7
111.00747	1.5
111.08022	1.3
113.02328	13.7
119.03419	5.5
120.51098	1.1
125.02322	9.9
127.03093	1.3
127.77992	1.2
128.34537	1.0
135.08110	1.5
137.09596	2.2
143.03377	3.6
149.00301	1.1
151.22729	1.2
161.04440	3.9
169.12209	1.2
171.10143	1.8
179.05537	11.7
179.10719	1.9
187.54254	1.2
197.11717	3.6
209.11757	13.6
210.12039	1.4
211.13330	2.0
213.14896	2.6
221.06598	5.3
227.12793	2.6
231.17532	2.4
235.08156	3.0
239.16533	2.5
241.18076	1.4
253.09297	3.3
256.39691	1.1
261.18640	1.3
263.07687	4.0
275.16556	1.9
277.18423	1.4
289.18091	4.5
293.21176	2.0
305.08560	1.9
307.19193	3.4
309.20871	1.3
313.25235	1.5
315.26868	2.9
325.25256	7.6
333.27771	1.3
341.24695	3.3
343.26428	6.4
351.23331	2.6
359.25717	5.9
361.27368	2.9
362.64728	1.2
369.24319	9.6
387.25424	19.3
388.25659	2.5
397.13437	12.6
405.26468	42.3
406.26694	4.8
479.06180	1.5
479.30008	2.8
623.34137	1.8
757.40088	1.9
767.38196	3.1
785.39642	100.0
786.39905	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	785.397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	3.5
58.00470	2.2
59.01252	39.4
61.98683	1.9
69.03318	2.4
71.01255	36.6
71.57664	1.3
71.58148	2.2
72.99161	3.3
73.02800	5.3
83.01241	4.9
83.04886	2.7
85.02818	10.0
85.99967	1.6
87.00748	12.1
89.02316	29.3
95.01254	2.9
96.95879	3.5
97.02863	3.5
97.06445	1.9
99.00735	2.3
101.02322	19.6
109.02827	1.6
109.06470	3.3
111.08085	1.8
112.09630	1.3
113.02331	14.1
119.03386	5.6
125.02371	10.0
135.08064	2.7
137.09625	3.0
141.01889	1.3
143.03369	2.6
161.04449	3.4
169.12263	6.5
171.10138	3.5
179.05577	8.9
195.13858	1.5
195.17305	1.5
197.11740	11.1
209.11732	5.1
211.13322	3.0
213.14828	1.9
217.54024	1.4
221.06586	4.9
223.13225	1.6
225.11435	1.3
235.08189	2.7
239.16449	2.5
241.18037	2.1
247.13214	2.5
247.16887	1.4
253.09361	1.9
263.07770	2.9
265.17938	1.6
273.52258	1.5
275.16611	2.5
275.20053	2.0
293.21158	4.7
309.21182	1.4
315.26971	3.5
325.25296	7.3
333.27692	2.1
341.24493	2.9
343.26556	6.9
344.27261	1.3
351.23120	2.4
359.25885	8.9
361.27411	2.9
369.24255	11.1
387.25455	22.1
388.25839	2.5
397.13651	11.9
405.26425	48.3
406.26736	5.6
479.30133	2.0
623.34003	2.3
753.40863	8.3
757.39850	1.7
767.38110	2.0
785.39752	100.0
786.39941	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	781.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
60.83692	0.9
61.98706	1.3
62.62296	0.9
71.01240	2.3
78.95776	65.7
78.98439	1.7
79.02091	1.0
79.95603	2.7
80.02528	1.7
80.96391	16.0
81.03306	1.4
83.04915	4.6
84.02026	1.3
87.00764	1.2
94.49979	0.9
94.97955	3.9
95.04890	1.2
96.96838	13.7
101.35872	1.0
151.07333	1.1
152.98508	1.3
152.99516	14.3
153.44987	1.0
163.11162	5.3
164.98508	3.5
165.12738	3.4
191.10674	0.9
209.11769	58.1
210.12123	2.0
223.00056	4.5
225.00749	5.3
227.12839	5.7
241.01149	27.5
255.23279	33.8
256.23557	2.3
259.02234	1.8
277.21796	1.4
281.24841	1.7
297.03799	2.1
315.04779	1.2
363.12091	3.6
391.22415	3.1
525.17468	2.0
525.35199	1.2
553.27911	2.8
763.39355	1.2
781.41284	100.0
782.41595	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	781.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.7
59.01255	16.5
69.03336	1.1
71.01249	6.5
78.95780	27.0
78.98463	1.2
79.95615	2.4
80.95962	1.8
80.96392	16.4
81.03330	1.6
83.04893	3.5
85.02818	1.2
87.00740	1.8
89.02319	2.6
94.97954	3.4
96.96837	5.8
97.02842	6.7
99.00764	13.0
101.02325	3.9
109.06461	1.3
113.02338	1.6
125.02333	1.1
125.09644	2.6
125.57420	1.0
134.97444	1.1
135.08113	1.1
136.05267	1.4
142.02625	2.9
152.98465	1.0
152.99529	5.3
153.90224	0.9
161.09645	1.2
163.11188	8.6
164.40645	1.2
164.98557	2.8
165.12767	1.6
181.12262	19.8
189.09178	1.2
207.10213	48.6
207.12190	2.3
208.10582	2.1
209.11784	23.3
210.12070	1.7
223.00018	1.5
224.18748	1.2
225.00639	4.4
225.11279	100.0
226.11609	4.9
227.12794	3.8
235.08226	2.0
241.01198	13.0
243.12373	12.0
253.09311	2.6
255.23244	17.1
256.23422	1.4
277.21722	82.5
278.21948	5.4
291.96802	1.1
388.18683	1.2
443.19141	3.3
461.20325	41.9
462.20764	2.6
721.41736	23.1
722.41541	2.8
781.41187	51.6
782.41620	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	781.4396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.5
57.03322	0.6
59.01250	10.0
61.73270	0.4
71.01257	3.0
71.04896	0.6
73.02826	1.4
78.95358	0.7
78.95779	5.5
79.95604	0.8
80.96404	4.2
83.01254	0.8
83.04910	0.9
85.02805	1.1
87.00753	0.9
89.02307	1.3
94.97943	1.0
95.01261	0.8
96.95884	1.1
96.96819	1.0
97.02820	2.5
97.06437	0.8
98.19744	0.8
98.95490	0.5
99.00758	7.3
101.02318	2.1
109.06470	0.7
110.03577	0.7
113.02319	1.6
125.02377	1.0
125.09619	1.9
135.08061	0.8
142.02591	1.4
152.99533	0.9
161.04466	0.9
161.09680	0.7
163.11179	3.9
164.98514	0.8
179.37286	0.6
181.12257	7.2
207.10216	23.3
208.10612	0.8
209.11806	4.8
225.00743	1.5
225.11276	54.4
226.11650	2.3
235.08130	3.0
241.01105	3.3
243.12358	7.3
244.12619	0.6
253.09206	4.2
255.23300	3.6
277.21719	100.0
278.22018	7.4
391.22421	0.7
443.19299	3.7
461.20291	7.2
462.20569	0.5
513.30975	0.6
577.37915	0.9
660.33185	0.6
721.41724	18.2
722.41730	3.5
766.08875	0.5
781.41046	13.4
782.42212	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	783.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
66.26805	0.5
67.27422	0.5
69.45924	1.9
69.46349	3.3
81.14756	0.6
81.90184	0.6
82.93832	0.5
83.52749	0.5
84.41666	0.6
89.05237	0.5
111.00732	1.6
124.01523	1.1
127.00262	0.8
129.67183	0.6
136.98682	1.0
139.00281	2.3
140.01074	3.5
142.02386	0.6
144.47266	0.5
151.00298	0.7
151.03860	0.6
168.00571	4.4
183.02908	100.0
184.03305	3.5
253.31207	0.7
266.46835	0.5
300.02872	0.7
301.03571	0.5
304.90244	0.5
335.04062	18.0
336.04532	1.1
339.24252	0.6
345.57220	0.5
520.38739	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.1
58.01912	0.9
59.01256	8.9
61.98718	1.8
65.55595	1.0
69.03310	1.2
69.94719	7.1
71.01255	3.3
78.60624	1.2
78.95785	1.5
85.02813	1.7
87.00743	1.3
87.56433	1.1
89.02324	1.7
101.02316	1.5
113.02324	1.2
125.02323	1.8
161.04465	1.2
183.13818	5.0
193.12189	1.3
195.14000	5.9
209.11813	8.1
211.13347	100.0
212.13637	5.9
223.13286	2.9
228.56845	1.2
235.08191	2.9
253.09262	16.0
275.20099	4.9
277.21643	5.5
293.21240	64.1
294.21545	4.2
418.15381	1.2
418.55045	1.2
447.22351	6.2
448.22388	1.2
709.38019	1.2
783.45154	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	22.5
69.53899	9.9
69.54320	15.7
70.91525	2.9
81.47812	2.8
92.45290	4.0
94.02868	27.1
109.02818	8.4
110.82217	2.9
121.02859	22.1
122.03607	7.5
122.05991	17.3
124.03905	4.4
125.02350	5.1
135.04381	12.2
136.03883	3.9
137.02321	6.2
138.05499	10.4
155.24858	2.9
163.03871	5.6
165.05406	3.8
174.05544	4.9
180.06490	4.8
188.07149	4.9
195.06564	4.7
201.10266	12.2
202.33040	3.6
213.10245	7.3
215.11880	7.0
229.09846	12.0
237.10381	3.9
239.11832	15.7
249.10269	3.6
255.11369	4.5
257.13004	5.0
259.10956	3.7
263.08408	6.9
264.09024	9.4
265.09808	7.4
267.11310	9.4
273.12585	4.8
277.09799	6.2
279.11353	14.9
280.08801	3.4
280.11868	4.6
281.13205	4.4
283.10983	6.5
285.07675	80.3
286.08044	9.1
289.12204	3.6
291.07764	8.5
291.11380	11.8
292.08594	20.3
293.09183	9.3
301.11902	18.9
306.10065	9.5
307.10867	39.4
308.11407	9.2
311.10416	3.2
319.13004	54.3
327.13666	3.5
330.12604	4.7
350.08887	17.6
351.09897	48.8
352.10327	6.9
365.11322	11.6
386.15347	6.8
387.16043	5.0
404.16321	7.2
414.14685	10.8
428.16223	7.8
429.16956	11.9
430.17807	4.6
433.15704	4.8
444.19452	7.4
446.17133	11.8
447.17664	4.3
456.15149	4.2
462.19888	4.6
471.12869	4.5
473.15503	6.8
474.16629	13.4
488.18555	26.1
489.14087	12.1
505.18970	3.9
509.22061	7.3
510.22592	4.3
520.20898	67.9
521.21179	10.1
527.22839	6.6
541.24902	4.0
548.20422	15.5
551.22632	8.4
569.24170	32.6
570.24341	4.6
580.22949	45.7
581.23529	5.6
583.26068	6.2
585.24011	4.1
599.07739	3.7
601.26465	11.9
613.22980	32.3
617.26300	6.2
627.24506	9.3
629.26080	4.1
645.25610	100.0
646.25885	13.0
673.24786	5.6
677.28265	41.0
678.28937	4.9
705.27655	26.6
706.27350	6.5
733.78650	4.1
737.30524	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	781.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.5
59.01242	1.8
60.57217	0.4
61.98709	0.5
65.00185	1.0
71.01253	1.8
71.04914	0.5
72.99192	2.9
75.00751	16.7
81.03332	7.3
83.01249	1.4
85.02821	0.6
88.98672	1.0
96.02050	0.4
96.95859	0.9
97.02836	0.7
99.04437	0.4
99.08025	1.2
101.02360	0.6
101.05967	1.1
102.35160	0.5
107.01253	0.5
109.02840	1.1
113.02361	0.6
121.02843	0.6
123.04430	0.5
123.08047	3.8
125.02341	15.0
125.05976	5.6
135.04402	0.5
136.05228	1.3
137.02341	2.7
141.09067	0.7
146.03645	0.7
147.04413	0.4
147.08080	1.3
149.02354	1.0
151.00307	1.0
151.03926	0.9
152.01050	0.6
155.04875	0.4
159.04445	1.6
161.02394	0.6
165.01830	0.9
165.09135	37.8
166.09485	1.7
167.03462	1.4
169.01389	1.8
171.04485	1.8
173.02350	0.6
174.03143	1.4
175.03922	1.0
176.04382	0.5
177.01822	0.6
179.03401	0.5
182.03581	0.4
183.04402	0.5
187.03979	1.5
188.04738	1.7
189.05495	3.0
191.07085	1.3
197.02248	0.6
197.06058	0.5
198.03107	1.1
199.03995	3.9
202.02649	0.6
203.03513	1.1
209.08145	100.0
209.11723	6.6
210.08427	5.1
211.03986	1.0
215.03429	2.7
217.05032	4.2
221.08101	0.6
227.03452	12.6
227.12793	1.3
228.03940	0.9
229.01428	1.0
229.04999	0.9
233.08099	2.7
242.02107	0.5
243.02985	3.4
245.04512	1.1
251.09242	1.0
253.01384	1.7
253.05070	0.5
257.04486	0.7
269.04199	0.5
271.02554	2.4
277.05167	0.4
279.06613	0.4
281.04578	1.6
283.02420	1.3
289.07230	0.4
305.04498	0.6
307.02737	0.5
321.07816	0.5
323.05493	1.1
337.07150	0.7
343.04578	0.5
347.05518	2.4
365.06577	2.7
367.04541	1.1
373.03424	0.8
381.78143	0.4
391.04626	1.3
405.08334	0.9
409.05606	2.2
415.06830	1.1
553.10040	1.9
571.10950	6.0
572.11078	0.6
601.15741	0.7
615.17743	0.8
625.15588	8.7
625.24512	0.3
626.16077	1.3
646.85065	0.4
745.18134	0.6
763.19080	2.0
764.19568	0.7
781.20117	6.1
782.20245	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	779.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.7
59.01249	14.9
67.06492	0.7
67.58224	0.8
69.72369	1.4
69.72787	4.4
71.01218	0.9
80.50762	0.8
83.73876	0.8
87.00728	1.4
98.20434	1.7
112.98679	1.1
125.02333	3.2
128.21907	0.9
134.03636	1.6
135.04405	2.9
146.03668	1.3
147.04370	1.2
159.04428	3.0
161.04720	0.7
161.05994	5.0
162.03062	1.0
165.09138	3.2
171.04465	4.3
174.06789	1.1
175.07549	9.1
187.03696	0.8
187.07538	1.1
189.05499	17.9
189.09042	1.1
190.05927	1.1
194.43967	0.9
203.07010	3.9
204.07845	1.8
209.08160	13.9
217.08759	1.3
218.09343	2.7
230.09451	23.9
231.09918	1.8
241.12291	2.2
256.20309	0.8
259.13379	100.0
260.13687	7.0
263.14716	0.9
275.09280	4.8
276.09595	1.4
301.14392	1.2
303.12375	9.5
304.12839	1.1
363.14468	5.8
371.13477	3.1
407.09814	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	779.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	64.7
59.20881	1.9
62.19792	2.0
71.01254	3.5
71.59643	2.9
71.60063	3.6
73.82246	1.7
81.03338	5.3
83.25595	2.1
85.02842	2.8
93.03331	2.6
97.06464	4.9
99.00691	2.5
113.02356	4.2
119.29683	2.1
121.02843	13.8
122.03664	6.1
123.08029	3.1
125.02328	12.0
125.05992	2.9
135.04436	6.6
136.01576	8.5
137.02379	4.7
146.03633	2.6
149.02354	10.7
150.03127	32.5
151.03946	11.0
161.05965	20.0
162.03264	2.3
162.06755	9.4
164.04700	3.3
165.05499	29.4
165.09138	32.4
166.02701	4.4
166.09581	2.3
167.03384	2.3
169.01337	3.2
171.10153	5.6
179.03380	2.4
181.05025	5.2
189.05493	2.8
190.09911	19.3
195.06584	23.5
209.08147	100.0
209.11754	8.5
210.08504	4.9
210.12117	3.9
222.08929	14.4
224.41978	2.0
227.12831	3.2
231.13858	36.6
232.14272	3.9
233.08136	29.7
234.08524	2.6
251.09265	6.3
259.13403	85.3
260.13675	4.9
264.78085	2.2
268.70169	2.1
275.09277	7.0
303.12506	12.3
311.11478	2.4
321.13406	3.0
343.11667	3.0
349.41919	2.1
363.14456	25.7
364.14896	3.2
371.13513	44.2
372.13879	3.0
387.14468	8.1
397.13455	3.4
409.90912	2.3
516.16553	2.4
535.19977	3.9
555.18726	2.5
640.96051	2.2
735.35529	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	779.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51214	1.4
59.01245	8.5
67.53085	1.2
71.01086	2.3
73.02827	1.7
78.95770	1.4
85.02814	2.9
87.00733	1.7
96.95882	1.5
97.02832	2.0
109.36005	1.4
113.02339	5.7
118.78705	1.2
125.02321	3.9
133.02930	1.5
133.06491	3.4
147.04465	1.6
149.05965	4.3
173.58676	1.3
193.23154	1.6
207.06561	100.0
208.06926	3.7
209.15334	1.8
371.20364	1.4
467.10809	1.5
485.23859	19.9
486.24124	2.4
515.23016	1.4
527.24951	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	779.4588
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33221	0.9
59.01253	25.8
62.57847	0.9
69.03327	2.4
70.89358	2.3
71.01251	4.7
78.95768	7.0
80.96398	1.2
85.02844	1.0
87.00774	1.5
89.02335	3.4
96.96836	1.6
97.02831	1.4
99.43234	1.1
101.02358	3.7
101.51337	0.9
105.39950	0.9
113.02379	1.9
152.99464	1.7
161.04367	1.4
167.10718	2.8
179.05605	1.3
179.14281	2.7
181.12315	1.3
195.13803	8.8
205.12323	8.5
207.10165	2.7
211.75450	1.1
223.13347	97.3
224.13666	4.3
225.11256	5.3
235.08177	3.6
241.01138	3.0
253.09253	10.4
255.23288	4.1
277.21722	100.0
278.22095	8.5
281.24838	1.5
441.21225	3.7
459.22379	10.6
719.43933	1.9
779.39862	12.4
780.40735	2.0
780.99237	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.9
69.03319	0.7
69.38811	0.6
70.16031	3.3
75.52608	0.6
80.31625	0.6
87.50686	0.6
90.78760	0.5
91.89365	0.6
92.07245	0.6
97.02847	1.0
105.03320	0.6
107.01254	1.1
109.02863	0.9
119.35937	0.6
125.02341	52.9
137.02350	1.9
155.66428	0.6
161.02353	4.4
165.01854	1.3
167.03453	1.8
169.01344	100.0
170.01711	3.2
179.03534	1.0
182.88414	0.6
193.01320	2.7
219.06595	0.9
221.04471	0.7
269.04575	1.0
287.05627	1.6
305.06662	4.8
331.04416	1.1
457.07785	7.7
458.08151	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	5.0
69.78187	1.7
71.01261	2.3
71.07297	4.7
93.03330	3.7
108.02031	2.1
118.85073	1.6
121.02846	2.9
122.03606	6.3
123.04446	2.6
125.02296	2.9
147.04446	2.4
149.02316	7.8
150.03139	32.5
162.03175	3.3
164.04683	2.4
165.05495	28.9
175.03891	10.9
177.01898	2.3
177.05490	4.3
177.57021	2.0
180.04144	2.2
190.06250	2.8
193.04926	4.0
193.08638	1.7
195.06601	12.8
203.07146	2.3
218.05710	2.9
222.05109	5.0
237.05472	3.0
238.06599	1.8
241.04947	2.5
247.08478	2.0
250.06186	3.3
251.07018	2.7
253.05000	2.5
266.05743	9.2
269.34882	2.1
278.05811	10.6
279.06509	4.2
281.04721	3.4
281.08133	3.8
282.05194	4.3
292.07520	2.7
294.05374	3.2
295.06042	2.2
297.07861	4.8
306.05301	10.6
307.06198	9.5
307.09259	2.0
308.07306	2.0
309.04053	5.2
309.07761	6.4
310.04733	4.4
320.06839	3.7
321.07642	34.0
322.04776	3.6
322.08304	9.5
324.06433	4.9
325.07184	26.6
325.10733	3.3
326.07770	5.2
335.09210	3.2
336.09991	13.1
337.07269	30.6
337.10861	4.5
338.07535	3.9
339.08661	15.3
340.09439	24.9
341.09891	4.4
352.09567	8.1
353.10364	3.2
354.10962	7.2
355.11850	56.7
362.79651	2.0
367.11853	100.0
368.12149	6.8
503.16766	2.8
533.18292	4.7
551.19379	4.2
581.20245	7.9
699.24982	14.8
747.26532	3.0
777.27893	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	777.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07536	3.5
56.77727	3.4
57.03816	3.6
57.24086	3.6
70.10364	11.6
70.10777	8.2
71.01254	5.2
78.95757	5.0
84.95655	3.6
85.07916	3.7
85.99607	3.7
95.79902	4.1
96.95879	29.6
120.68943	3.7
120.74426	4.3
125.02386	5.1
201.11284	45.9
209.11792	85.1
210.11967	6.5
215.69560	4.1
220.17482	4.1
227.12836	14.5
235.08131	10.6
245.43980	4.1
253.09369	18.3
268.85455	4.4
277.21744	100.0
278.22092	14.6
311.65607	4.2
437.19846	8.0
445.20892	7.2
481.68021	5.0
513.30615	4.4
777.41852	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	775.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
65.95003	33.3
71.01244	77.8
72.48190	33.7
78.95776	100.0
98.20652	55.8
145.73727	31.1
152.99474	64.1
171.10126	48.9
173.64537	33.1
188.06876	35.5
208.05988	37.1
281.24918	48.9
295.26392	49.7
538.12817	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86324	0.1
59.01275	0.2
72.25924	0.2
72.85840	0.1
78.95776	8.9
79.95605	3.0
83.02349	0.3
84.07600	0.1
90.52820	0.1
96.95892	100.0
96.96805	13.2
97.95829	0.2
98.02362	1.1
98.20631	0.3
123.54739	0.2
150.06451	0.2
229.82408	0.2
716.51123	0.5
775.47253	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52128	14.5
61.98681	13.5
70.96845	44.6
77.73310	11.7
78.95782	37.0
82.66412	12.9
83.20855	13.5
83.71963	12.9
92.59174	15.3
96.95903	100.0
116.43324	17.3
152.99469	19.3
199.85809	18.1
211.13321	35.7
227.12843	29.1
253.09171	30.1
254.85738	21.6
267.66165	16.7
291.19604	20.8
293.21378	26.3
309.20618	21.7
319.24161	15.8
775.43152	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35614	16.8
54.52263	15.2
59.01257	20.5
61.98694	27.8
71.01249	29.9
71.59045	30.0
72.99183	28.2
75.00732	20.5
78.95765	71.8
88.98672	28.4
96.95889	31.9
113.02276	17.0
125.02319	18.0
137.21930	16.6
152.99489	33.7
180.05305	17.8
209.11681	59.7
211.13414	83.2
249.06027	62.8
249.14874	21.5
253.09509	25.1
263.97144	18.2
291.19611	34.4
293.21143	31.9
309.20639	29.0
445.19745	20.3
775.39069	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	775.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36571	3.2
63.08942	2.9
64.09637	3.8
70.77858	8.9
70.78212	4.2
71.01270	5.8
78.95794	4.8
80.06044	3.9
83.77163	3.8
83.79364	3.3
87.86572	3.1
116.08582	3.2
195.94460	3.6
209.11774	72.4
227.12836	20.8
236.27135	3.4
245.33711	3.7
253.09348	22.4
275.20294	5.0
293.21252	100.0
294.21664	8.3
702.12964	3.7
775.40784	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	7.7
59.59447	4.1
60.22895	4.2
61.98686	8.9
62.96326	4.9
69.83712	4.8
71.01256	6.0
71.58376	7.5
78.95786	41.0
96.96842	6.3
97.02812	7.1
124.69431	5.1
152.99471	15.5
163.11206	6.2
170.87462	5.0
171.10216	19.5
182.08957	6.3
199.09659	41.1
201.11192	11.2
207.10204	34.3
225.11288	33.7
249.47755	5.0
253.09358	17.1
277.21741	100.0
278.22040	10.3
279.23376	6.2
295.22675	6.4
331.02472	5.1
435.18686	15.2
443.19281	8.0
461.20306	13.4
695.40070	36.1
703.39886	6.0
721.41553	32.9
723.75555	6.3
775.49658	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.4
55.58141	1.3
57.03326	2.3
58.00471	4.0
59.01250	100.0
69.54549	9.4
69.54961	3.1
71.01255	64.7
72.99191	5.8
81.03324	2.0
83.01265	3.9
85.02823	11.1
85.37023	1.3
87.00760	7.2
89.02319	74.5
95.01270	3.9
98.19860	2.8
98.20514	2.6
101.02329	29.4
111.34158	1.4
113.02327	27.4
116.00201	1.3
117.03363	2.7
119.03390	28.0
119.04760	1.4
121.02827	1.9
123.00754	3.4
125.02321	7.7
131.03406	4.6
133.02844	4.1
136.01563	1.5
137.02361	4.8
139.00331	1.4
143.03426	5.1
145.02841	6.9
146.03639	2.3
147.04468	1.8
149.02290	2.0
149.04443	3.4
150.03133	5.6
151.00281	11.4
151.03931	3.6
161.02364	7.4
161.04492	4.9
162.03139	58.0
163.03822	1.9
165.01897	1.5
165.05496	6.7
165.09137	2.6
166.02640	23.9
167.03226	2.4
167.07019	1.3
169.01352	1.5
175.03984	2.5
177.01918	6.3
177.05484	39.2
178.05855	1.4
179.05556	11.8
179.07002	2.3
180.04185	3.2
181.05005	24.9
191.03458	2.3
192.04248	3.5
195.06529	8.5
205.05161	1.4
207.06567	2.8
209.08128	5.6
223.06099	2.0
305.51425	1.4
352.13589	1.3
357.12018	2.7
387.10870	4.2
387.15088	2.3
416.14661	2.3
417.15402	13.0
560.16052	1.4
577.20917	16.5
578.21002	2.1
662.25061	1.6
775.29504	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36458	0.9
57.02624	0.8
57.03323	1.1
59.01241	6.5
59.56781	0.8
59.80313	0.8
64.09850	0.9
71.01252	6.7
72.99191	1.6
73.39008	0.9
74.02327	0.8
75.00771	1.5
83.01260	1.9
85.02837	4.1
87.00781	1.4
89.02278	1.3
93.03343	1.9
95.01251	1.8
96.95897	1.9
98.20487	2.0
99.00755	1.6
101.02337	1.4
106.34678	0.8
109.02853	7.8
113.02347	3.9
116.92746	3.9
117.01838	1.1
121.02865	6.6
122.73322	0.9
123.00764	1.7
125.02338	7.8
126.77092	0.9
135.04449	1.0
137.02344	8.0
139.03867	1.4
145.02780	0.8
147.00708	0.9
148.01558	2.0
149.02385	4.4
150.03157	1.4
151.00311	2.1
151.03920	1.4
153.01837	2.5
161.02368	1.6
163.00230	2.1
163.03877	1.1
165.01817	2.5
167.03387	1.7
169.01340	2.8
171.10210	1.6
175.00334	2.1
175.02325	1.5
175.03798	0.9
176.87263	0.8
177.01830	1.8
178.99814	1.1
185.11804	0.8
187.03900	1.2
193.01341	2.9
195.06526	0.9
199.03908	0.9
209.11757	5.5
211.03941	1.0
211.13245	1.6
217.04837	1.0
225.05484	1.7
225.11282	1.4
227.03511	1.7
227.12888	1.4
229.62726	0.9
239.03497	1.6
251.03438	1.7
253.01395	1.9
253.05043	2.1
255.02983	2.4
266.02158	2.4
267.02902	3.2
268.03598	1.5
269.04559	2.2
279.03009	1.9
280.03787	1.0
281.04330	0.9
283.02557	1.0
285.03870	1.4
291.03006	1.8
295.02487	2.6
296.03430	4.1
297.00665	1.0
297.04025	3.9
300.02942	1.5
301.03510	4.2
309.04080	1.3
315.05420	1.2
327.05142	1.1
331.06134	1.3
347.05463	2.6
373.03314	2.1
375.05127	8.2
387.05191	1.9
389.06665	1.2
390.07495	1.2
403.04510	1.8
405.09842	6.4
415.04501	2.4
417.05823	1.1
419.07825	1.2
421.82779	1.1
431.07617	3.4
445.09790	1.8
446.06372	12.7
447.06549	1.3
449.08661	1.8
463.10355	11.6
464.10602	1.5
489.08087	2.1
581.11212	1.4
599.11969	100.0
600.12317	15.9
707.33997	1.1
775.15344	8.8
776.15436	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	773.4608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27995	1.8
71.38464	4.2
78.95781	38.3
96.96860	3.6
97.02850	2.3
98.06719	1.8
108.08586	2.0
111.08056	5.5
144.16035	1.8
152.99501	50.0
158.12997	2.1
169.12251	3.7
171.00581	3.9
188.91862	1.9
197.11771	30.3
211.13339	5.6
227.03168	2.8
247.20708	2.0
253.21724	28.2
263.20200	2.1
279.23349	2.6
291.19638	7.5
309.20670	16.7
445.19916	4.4
519.23706	4.4
537.24670	100.0
538.25085	9.4
667.30426	2.4
773.46259	45.1
774.46143	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	773.461
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04708	7.2
70.69209	6.6
78.95777	46.1
78.96160	6.8
98.38898	7.3
152.99457	46.7
153.47787	9.0
197.11771	31.0
201.33412	7.6
253.21738	21.2
291.19702	22.1
309.20706	14.0
314.67377	9.2
334.50385	8.0
537.24634	100.0
599.21863	8.5
773.46216	38.9
774.46545	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	775.152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	6.2
66.43973	0.8
66.83360	0.8
70.58298	0.7
70.81795	0.7
71.01260	9.3
71.07013	1.8
72.99195	1.9
73.10474	0.7
75.00751	0.9
77.00661	0.7
83.01257	1.1
85.02834	6.0
87.00742	1.7
89.02303	0.8
92.96101	0.7
93.03359	2.2
95.01279	1.7
96.95894	2.5
99.00748	1.9
101.02322	1.2
103.00262	1.4
108.02029	0.9
109.02843	8.1
111.00748	1.2
113.02341	5.5
121.02867	5.6
123.00754	1.9
123.04327	0.8
124.01565	0.7
125.02355	5.0
136.01476	0.9
136.94783	0.8
137.02348	10.0
139.03886	1.9
147.00758	1.0
148.01578	2.5
149.02339	3.1
150.03127	1.1
150.80844	0.8
151.00264	2.3
153.01817	1.3
159.55753	0.7
161.02415	0.8
163.00301	1.9
165.01865	2.3
167.03418	1.7
169.01340	1.9
175.00317	1.4
175.02455	1.9
177.01973	1.1
183.04448	1.1
185.11786	0.8
187.03926	1.4
193.01344	2.8
193.03139	0.8
209.11783	6.6
210.12030	1.7
211.04004	1.8
212.04663	1.1
223.04085	0.8
225.05493	0.9
227.03497	4.0
229.04810	0.8
237.05406	1.0
239.03407	2.4
240.04195	2.2
241.04927	1.3
243.02928	1.0
251.03397	2.1
252.04024	1.2
253.01389	2.6
253.05060	2.5
253.09221	0.9
255.03130	4.4
256.03830	1.0
257.04590	1.4
265.05054	1.0
266.02231	1.7
267.02948	3.8
268.03723	2.2
269.04492	1.8
279.02972	2.0
281.04541	1.2
283.05997	0.9
285.04080	1.4
295.02469	3.0
296.03241	2.0
297.03989	4.8
300.02814	2.3
301.03494	3.0
309.04041	1.7
310.04907	1.0
313.03452	2.1
315.05054	3.5
327.05145	1.0
327.21735	1.8
328.22339	1.4
339.05154	1.2
347.05392	1.1
359.05728	2.8
371.05740	1.2
374.04141	0.9
375.05127	4.7
376.05521	1.2
387.05164	2.5
389.06711	1.9
390.07455	2.1
391.08191	1.8
403.04410	1.6
405.09866	3.9
415.04358	1.3
416.05289	1.0
417.06186	2.2
418.06897	1.2
419.07736	2.1
430.06924	1.2
431.07840	3.3
433.05167	1.0
445.09442	2.2
446.06509	14.5
447.06912	1.2
448.08179	1.9
449.09097	1.6
460.07816	2.2
461.08887	1.7
463.10312	13.3
477.08517	1.9
489.08051	2.9
490.08942	1.0
554.86212	1.0
599.11993	100.0
600.12292	14.4
613.16840	1.2
775.14929	14.4
776.14240	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4617
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95792	33.6
82.82400	21.5
83.05786	28.0
152.99515	58.8
197.11859	69.6
216.13213	23.9
278.03500	23.1
338.28986	30.1
371.15799	27.7
395.41867	31.1
537.24841	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	773.433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.5
57.03313	1.4
58.00444	0.4
59.01245	3.9
69.03325	1.3
71.01247	4.6
71.04914	0.4
71.45617	0.6
73.02821	1.2
74.66035	0.3
80.02555	0.6
81.03323	0.8
81.87804	0.3
83.01254	0.7
83.04895	4.6
84.02038	0.8
84.87628	0.3
85.02822	5.0
87.00779	0.8
89.02328	3.2
95.01274	0.5
95.04911	1.2
96.95889	5.2
97.02831	1.4
97.06471	1.5
101.02328	4.0
109.06448	0.5
113.02322	2.8
116.92751	0.7
119.03374	1.0
125.02266	0.7
125.05972	0.4
125.09605	0.7
127.11176	1.0
135.08023	0.6
137.09619	1.3
143.03310	0.4
145.04906	0.7
155.10666	0.8
161.04448	1.7
163.11179	3.5
165.12782	2.8
169.05106	0.4
171.10179	12.7
172.10461	0.4
177.12762	0.5
179.05615	0.8
181.12260	0.6
183.13841	2.0
185.11798	0.7
187.03384	0.4
191.10721	0.9
193.12146	0.5
199.13229	0.4
201.11365	0.4
209.11769	100.0
210.12094	5.4
211.13329	9.2
212.13721	0.5
221.11768	1.5
227.12828	13.1
228.12971	0.5
229.14412	6.8
235.06062	0.6
235.08203	7.1
239.12807	0.8
247.20732	0.6
253.09262	17.5
254.09653	0.7
285.03857	0.5
288.24774	0.4
291.19690	2.7
309.20670	7.2
310.20932	0.4
327.21753	62.1
328.22089	5.1
445.20776	1.0
462.07922	0.5
519.33057	1.0
545.29626	1.2
563.30896	2.1
569.14319	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.7
59.01249	9.6
59.99595	1.4
61.98723	1.3
66.74059	1.1
68.86340	1.2
69.27516	13.6
71.01265	6.6
80.02551	1.8
81.13945	1.3
82.95296	2.4
83.04906	6.0
85.02825	2.0
89.02302	4.0
96.95895	4.2
97.02824	2.4
98.19830	3.2
99.00828	1.6
101.02332	4.9
103.00253	1.8
111.08062	6.0
113.02342	5.3
115.07298	1.4
116.92754	2.1
125.02334	2.0
125.09674	1.7
127.11153	2.9
155.10713	1.7
155.82310	1.4
161.04495	3.6
163.11203	5.0
165.12769	2.7
169.12227	3.1
171.10159	5.5
181.12263	2.5
197.11766	33.7
197.60126	1.3
198.12126	1.9
199.13362	3.5
201.11266	49.3
202.11562	2.7
209.11780	100.0
210.12054	7.2
211.13359	8.9
227.12869	14.3
231.04547	1.3
235.08139	5.1
238.27402	1.6
253.09279	28.5
263.20047	2.4
273.18796	2.0
291.19666	16.8
293.63800	1.5
298.23828	1.7
309.20715	57.1
310.21066	5.6
319.62518	1.6
327.21799	4.1
545.30255	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	2.0
64.04440	0.3
66.07697	0.3
69.64495	2.8
71.01254	9.9
75.00773	0.3
78.95779	3.3
79.95619	2.9
80.88306	0.3
81.28931	0.3
85.02809	0.4
89.02306	0.8
90.97034	0.4
96.95892	100.0
96.96883	3.2
97.95835	0.7
98.20685	0.4
98.95496	0.7
99.00731	0.9
101.02331	1.2
109.06453	0.4
113.02351	0.7
116.92759	1.1
117.92762	0.4
118.96542	0.7
125.02325	0.4
132.83464	0.4
157.67072	0.4
169.12309	0.5
171.10187	5.8
181.12280	0.5
195.13774	0.9
199.09650	1.1
199.13327	0.4
201.11156	1.9
207.10202	2.1
209.11758	1.5
211.13425	0.9
223.13411	0.7
225.11314	1.9
227.12860	0.4
253.09250	2.5
275.20261	0.6
277.21848	0.8
291.19736	0.6
293.21219	8.8
294.21609	0.7
311.22324	1.9
361.04346	0.5
397.13278	0.8
407.17358	0.8
435.08124	1.0
453.09061	1.7
521.34113	0.4
713.30084	2.0
773.42737	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03611	3.4
59.01241	11.4
59.74092	4.0
71.01247	7.1
71.45769	5.7
75.24498	3.6
76.85400	3.7
96.95889	25.1
98.54445	3.9
113.02361	4.5
125.02306	7.4
143.01410	3.6
165.01927	4.2
168.11668	3.7
169.01292	4.2
171.10168	5.5
183.13806	6.7
209.08177	4.4
209.11771	100.0
227.12883	31.8
235.08238	5.0
253.09309	12.3
327.21707	15.5
336.34995	4.4
445.20758	8.5
524.07532	5.1
539.09521	9.0
540.10535	4.4
554.12225	7.9
569.14581	54.0
570.14813	10.4
773.20795	5.9
773.36688	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	773.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	5.7
59.01249	10.2
60.68143	4.4
61.98703	8.8
63.45878	4.9
71.01260	21.5
71.58793	9.9
75.00737	6.5
77.17877	5.1
78.95782	62.6
85.02815	9.0
96.95882	34.8
99.00776	5.1
101.02326	7.4
109.06490	6.2
111.08069	5.1
118.56155	4.7
119.40081	5.2
125.02357	6.6
151.11273	5.1
152.99503	22.0
169.12193	25.5
171.10211	12.5
197.11847	9.4
207.10237	9.2
209.11795	73.5
210.12195	7.2
211.13434	8.3
213.11333	10.8
227.12886	15.6
235.08228	7.8
253.09225	16.5
253.11635	5.8
278.61823	6.3
291.19656	100.0
292.19891	7.5
293.21121	6.9
327.21814	8.7
385.97476	5.2
461.19632	7.9
527.28967	11.4
585.42053	5.6
773.42072	33.0
774.43146	6.1
786.22449	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	773.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72542	0.1
59.01262	0.3
61.98709	0.3
67.81424	0.2
70.96892	0.3
70.97271	0.4
71.01260	1.0
74.85204	0.1
78.95776	2.5
79.95614	2.9
89.02323	0.2
96.95894	100.0
96.96883	3.2
97.02850	0.2
97.95834	0.3
103.35478	0.1
109.06535	0.2
116.98633	0.2
118.96509	0.4
125.02357	0.2
146.96040	0.3
169.12263	0.2
171.10127	0.2
201.00758	0.2
209.11777	0.5
235.08159	0.2
253.09377	0.3
259.01315	0.2
277.21747	0.6
291.04044	0.2
291.19693	0.2
293.21338	0.3
314.15558	0.2
340.77313	0.2
361.04651	0.4
397.13745	0.3
407.17349	0.5
435.08182	1.1
453.09192	2.1
520.16217	0.2
555.38519	0.2
575.96216	0.2
593.27002	0.3
713.30945	1.7
714.31256	0.3
773.41296	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.5
71.01256	2.8
73.02805	0.2
78.95315	0.2
78.95778	3.8
79.95613	3.4
85.02838	0.3
87.00751	0.2
88.56678	0.2
89.02319	0.3
90.97011	0.2
94.97955	0.3
96.95895	100.0
96.96775	3.9
97.02827	0.2
97.95845	0.3
98.02338	0.4
98.19727	0.4
99.00787	0.2
101.02316	0.3
109.06483	0.4
113.02355	0.2
116.92738	0.3
118.96554	0.4
125.02335	0.2
128.71295	0.1
144.98056	0.2
152.99554	0.1
163.11244	0.2
171.10190	2.3
182.99669	0.2
195.12041	0.2
199.09724	0.4
201.11255	0.8
207.10222	0.6
209.11781	0.7
211.13336	0.4
225.11292	0.6
227.13008	0.2
229.41563	0.3
235.08226	0.4
253.09285	0.6
275.20245	0.2
277.21536	0.2
293.21155	1.3
311.22150	0.8
346.57843	0.2
361.04398	0.4
397.13434	0.3
407.17563	0.5
435.08292	1.1
449.34906	0.2
453.09396	1.8
593.26971	0.3
713.30255	1.6
714.30927	0.3
732.47302	0.2
773.43207	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35955	2.4
55.62061	2.0
57.03306	3.4
58.32493	2.3
59.01246	10.0
61.26957	3.0
61.98703	4.2
70.13008	2.2
71.01250	24.7
71.06342	5.1
78.95781	4.7
81.03315	3.7
83.04901	4.0
87.00768	4.1
89.02312	3.0
94.92381	10.7
94.97945	6.8
96.95907	5.5
101.02312	4.8
109.06462	6.1
113.02329	5.5
122.82436	2.2
133.38834	2.6
163.11188	7.5
165.12714	3.8
171.10187	13.7
183.13918	3.6
195.13844	4.3
197.11729	8.0
207.10109	10.4
209.11772	100.0
210.12157	4.2
211.13347	7.7
223.13306	4.1
225.11273	9.3
227.12910	12.7
227.14819	2.6
229.14503	2.9
235.08197	6.6
253.09271	23.2
275.20139	4.5
291.19653	9.1
293.21240	57.8
309.20676	8.9
325.23764	6.0
327.21759	8.2
461.20068	2.7
771.41956	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	771.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	3.3
58.00451	2.4
59.01255	20.2
69.03329	4.6
70.85516	5.6
71.00889	3.4
71.01252	41.3
73.02823	8.4
73.17584	2.2
80.02516	2.1
81.03320	2.6
83.04904	5.6
85.02821	7.5
87.00755	9.1
89.02343	11.1
95.01286	2.0
95.04907	3.9
96.95900	16.3
97.02818	14.1
97.06465	5.1
99.00726	4.3
101.02319	12.3
102.98531	2.3
109.06473	11.8
111.08044	4.0
113.02323	7.6
119.03424	2.8
121.06463	1.9
125.02386	2.2
125.09622	9.8
127.11157	8.3
127.11992	2.1
135.08023	2.8
137.09567	3.6
141.12723	2.2
143.03413	2.2
149.09607	2.1
151.11195	2.8
152.33363	1.8
153.09125	2.5
155.10674	3.0
156.28282	1.9
161.04448	4.7
161.09544	2.2
163.11211	17.4
165.12766	8.6
169.12250	2.2
171.10184	100.0
172.10580	4.1
179.05452	2.2
179.10600	2.6
179.14331	2.3
181.12271	8.0
183.10268	2.3
183.13794	2.8
185.11781	6.4
188.91724	2.0
189.09073	2.0
191.14412	2.2
193.12257	4.2
197.11714	17.5
199.13327	3.5
201.11249	47.2
202.11739	2.7
207.10193	40.3
209.11765	50.0
210.12192	3.5
211.13307	15.0
215.12804	7.9
225.11270	68.1
225.14616	2.8
226.11624	5.2
227.12782	11.5
235.08188	12.0
243.12334	3.9
245.19066	4.1
247.20653	5.8
253.09251	31.3
263.20041	2.3
273.18661	2.6
289.18134	8.0
291.19647	54.6
292.19922	4.4
293.21164	5.1
300.02713	4.2
307.19208	7.3
309.20703	99.3
310.21033	8.6
313.76172	1.8
327.21936	3.0
341.23386	9.1
387.17764	2.2
407.18954	2.2
443.19128	3.6
461.20322	11.2
462.02313	2.0
477.57837	2.0
479.21307	2.7
518.38422	1.9
585.99823	2.3
753.41132	5.0
771.41400	12.3
772.40350	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	771.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	14.8
57.79134	7.7
59.01242	37.7
61.98690	9.6
65.81441	7.3
69.53111	73.7
71.01251	100.0
72.99181	29.2
73.02850	9.6
75.00748	29.0
78.95777	49.1
85.02830	47.6
87.00763	22.3
88.98671	13.5
99.00756	29.7
109.06471	15.8
113.02321	42.7
125.02367	11.8
126.28447	9.0
152.99489	19.0
171.10182	67.1
174.30421	9.3
175.02499	10.0
197.11790	27.4
199.09665	14.9
201.11266	19.9
207.10201	31.2
209.11771	20.5
211.13275	19.6
223.13329	17.4
225.11292	26.6
253.09203	10.8
277.21753	62.6
278.22034	11.1
291.19827	12.7
293.21210	38.5
295.22693	13.4
309.20609	15.5
507.02399	9.3
681.38306	18.7
709.38110	31.2
735.39661	60.7
753.40924	31.8
771.42938	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.7
58.00458	2.9
59.01252	16.6
67.08624	2.2
69.03330	3.0
70.81338	6.6
71.01255	100.0
73.02805	6.5
78.95790	13.5
83.04910	3.0
85.02835	6.3
87.00741	3.4
89.02300	4.9
97.02839	3.2
99.00787	5.4
101.02301	5.6
109.06479	14.6
110.98403	3.2
111.08031	8.7
113.02341	5.5
123.08016	2.7
125.09635	5.3
127.11172	2.7
145.51414	2.2
152.99403	3.1
155.10634	2.6
161.04486	2.9
163.11205	13.7
169.12247	5.3
171.10178	35.6
181.12161	5.4
185.11807	2.4
189.09174	2.9
197.11780	46.8
198.12088	3.2
199.13359	7.7
201.11296	22.9
207.10202	42.9
209.11823	4.0
211.13298	8.6
225.11285	39.9
235.08223	3.0
243.12465	5.0
253.09317	18.9
277.21674	7.2
291.19696	18.8
293.21136	4.2
309.20709	48.7
311.22247	6.6
397.43536	2.3
397.48865	2.2
402.71021	2.3
443.18869	3.9
461.20251	7.6
627.83459	2.9
735.39435	3.4
739.41907	3.5
753.40753	8.7
771.42847	18.5
772.43347	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	771.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	5.6
58.00477	2.1
59.01252	51.4
69.03333	1.6
71.01258	39.3
72.61932	1.5
72.99178	5.5
73.02828	6.8
75.00765	2.8
83.01268	6.3
85.02829	22.6
87.00771	5.9
88.98689	4.3
89.02326	13.5
95.01265	4.8
97.02843	1.8
99.00761	4.1
101.02329	20.9
101.36800	1.4
111.00746	3.0
113.02329	21.3
118.96693	1.7
119.03422	5.1
124.01556	1.7
125.02327	12.7
129.01848	2.2
135.04410	1.9
136.30960	1.5
137.02348	2.5
137.67773	1.4
143.03395	2.9
149.02354	2.0
150.03156	1.9
151.00262	3.3
151.03920	3.5
152.01007	1.7
161.04561	1.5
165.05467	2.2
169.01358	3.4
177.01826	3.2
181.05019	2.4
206.77231	1.4
216.09889	1.5
229.91670	1.7
232.89146	1.4
234.22977	1.7
271.02686	1.7
290.12405	1.5
300.02618	2.2
301.03503	3.3
301.10999	1.6
361.29657	8.6
505.33859	6.0
523.34711	9.0
667.39160	100.0
668.39398	17.8
685.40063	46.9
686.40375	7.1
727.41266	20.9
728.41193	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	771.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	2.2
57.03320	4.9
58.00480	1.6
59.01255	61.8
69.03344	1.4
71.01260	42.0
72.99181	3.1
73.02827	11.4
75.00752	3.3
81.03354	1.7
83.01270	6.3
85.02828	26.4
87.00745	5.3
89.02328	16.5
90.02603	1.1
95.01262	6.4
96.95945	1.7
97.02825	2.6
97.95136	1.2
99.00760	5.5
101.02331	28.0
111.00780	3.9
112.01547	1.6
113.02340	23.0
119.03394	5.2
123.04362	1.5
124.01531	2.8
125.02356	10.9
126.02637	1.2
129.01833	1.2
137.02374	1.9
143.03448	3.1
148.42816	1.2
149.02286	2.0
150.03162	1.8
151.00233	1.6
161.04471	2.5
163.31886	1.3
165.05431	2.8
165.78889	1.2
166.02621	3.3
169.01424	2.9
175.03926	1.5
177.01874	2.5
181.04985	3.0
187.13330	1.5
195.06540	2.3
205.47366	1.2
207.76556	1.1
242.02718	1.2
301.03528	2.5
301.10828	1.6
361.29675	9.8
475.99203	1.3
505.34039	7.9
523.35083	12.5
524.35608	1.9
667.39130	100.0
668.39587	17.1
685.40210	43.5
686.40424	6.7
727.41223	22.5
728.41705	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	771.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.7
59.01251	36.7
60.46069	0.5
68.26311	0.7
69.03335	0.9
69.69038	3.6
71.01254	17.6
72.70642	0.4
72.99187	0.8
73.02817	18.1
81.03330	0.9
83.01250	7.7
84.02050	0.9
85.02815	3.0
87.00758	0.5
89.02313	5.9
95.01268	2.1
96.95907	0.8
97.02818	0.7
98.20536	0.7
99.00694	0.7
101.02321	20.7
108.02061	2.2
109.02857	2.7
113.02322	10.4
119.03368	3.1
121.02857	2.1
122.03661	1.1
123.00788	1.8
123.04423	1.3
124.01563	2.2
125.02347	2.8
131.03384	1.3
134.03682	0.5
136.01558	64.6
137.02377	8.5
138.03075	0.5
139.00252	0.9
139.03885	1.1
143.03433	3.1
146.03601	0.9
149.02354	0.8
149.04416	2.9
151.00284	13.4
151.03912	69.8
152.01054	1.1
152.04305	3.4
154.02629	0.7
155.03375	0.9
159.04373	1.0
160.05223	1.4
161.02341	1.4
161.04459	6.5
161.05815	0.9
162.03133	1.0
163.03929	2.6
164.04678	0.7
165.01846	0.7
166.02629	36.1
167.03362	2.6
173.02342	1.2
175.03874	2.4
175.07578	1.0
176.04585	0.6
177.01892	2.3
177.05487	1.6
179.03455	1.2
179.05536	1.3
179.07022	1.4
181.04984	47.4
182.05353	2.3
187.03981	0.6
188.04701	0.8
189.05539	1.8
190.02623	0.6
190.06247	0.9
191.03404	4.3
192.04120	0.9
193.04973	1.2
203.05524	0.8
205.04939	3.3
205.08679	0.6
206.05772	4.0
207.06535	1.2
209.08167	0.7
217.04755	0.7
218.05899	0.7
219.06602	1.1
220.07315	0.8
221.06627	0.9
221.08282	5.0
233.08189	1.3
282.05371	0.9
294.05334	1.0
297.07846	1.1
298.77985	0.5
299.09457	0.6
300.02371	0.6
309.07660	2.1
312.06403	0.6
324.09924	1.0
326.11432	0.8
327.08743	1.0
329.10300	3.2
339.08698	1.2
339.12225	0.6
341.12650	1.6
342.11063	3.9
354.10968	0.8
357.09741	16.5
357.13556	13.9
358.10031	1.2
358.13916	1.2
369.13449	10.0
370.13556	0.7
372.12128	11.2
373.12671	1.1
387.14484	100.0
388.14819	7.9
490.01080	0.5
572.77673	0.5
575.38129	0.6
681.25549	2.0
693.25452	1.8
711.26587	7.8
712.26849	0.8
729.27332	3.2
771.28717	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	771.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27791	1.9
59.01261	2.8
60.50259	1.5
60.50583	1.8
61.99004	2.1
63.91083	1.7
71.58933	2.2
98.42941	1.7
107.01271	3.4
109.02826	4.1
119.04894	1.7
125.02312	7.1
130.09201	1.8
137.02261	1.9
151.00250	9.9
153.01889	1.8
169.01338	8.1
215.03313	2.0
227.03493	3.2
243.03021	4.3
255.02922	4.3
271.02454	66.8
272.02832	4.6
299.01947	100.0
300.02667	38.2
301.03558	48.4
302.03915	2.8
461.17538	2.2
462.07910	13.6
463.08514	7.4
609.14569	41.7
610.14880	5.8
771.19922	59.4
772.19299	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	771.287
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62973	0.6
59.01244	2.4
62.58562	0.6
69.46160	5.0
71.01244	0.8
85.02810	1.2
87.77673	0.5
96.95876	1.0
98.19711	1.3
108.02035	1.5
109.02823	2.1
119.04937	0.7
121.02868	3.1
122.03583	1.4
123.00777	1.3
124.01534	0.7
125.02341	1.1
134.03693	0.7
136.01559	42.0
137.02357	5.9
139.03902	1.2
145.42096	0.6
147.04378	1.0
149.02341	1.4
151.00281	8.1
151.03914	57.4
152.01024	1.1
152.04372	2.1
158.03546	0.6
159.04420	0.8
160.05275	1.2
161.05965	0.7
163.03903	2.2
166.02623	29.1
167.03438	3.1
173.02356	1.4
174.03160	0.7
175.03944	2.1
175.07417	1.0
176.04678	0.9
177.01860	2.0
177.05487	2.1
179.03461	1.1
181.04985	44.0
182.05190	1.0
183.59152	0.8
188.04753	0.7
189.05446	3.0
190.06287	2.8
191.03358	3.3
193.04976	0.7
195.02913	0.6
203.03375	0.8
205.05025	2.9
205.08600	2.1
206.05792	4.1
207.06647	1.1
220.07336	1.4
221.08122	9.0
224.06262	0.7
233.08066	1.2
253.04417	0.7
279.06778	0.7
294.05255	0.9
297.07526	1.8
309.07693	2.3
311.09134	0.9
312.06381	1.1
324.10083	1.2
327.08792	1.2
329.10278	2.9
342.11020	7.0
343.11813	1.4
354.11047	0.9
357.09674	13.9
357.13483	33.0
358.09988	0.8
358.13776	2.8
369.13223	3.5
370.13806	0.7
371.14975	2.0
372.12061	14.5
373.12589	2.4
387.14484	100.0
388.14865	8.6
401.15961	1.4
537.21234	11.0
538.21802	1.3
549.21069	2.5
567.22351	40.2
568.22742	7.0
589.40869	0.8
764.69934	0.7
770.37201	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.2
57.03336	3.9
58.00474	1.0
59.01254	10.8
60.06804	0.7
61.98704	2.7
67.72134	0.8
69.03336	3.8
70.82715	0.9
71.01254	11.6
71.04890	1.1
71.59084	1.4
72.99184	1.0
73.02825	2.2
75.00755	1.0
81.03325	1.0
83.01252	1.8
83.04893	1.8
85.02821	11.2
85.06446	0.8
87.00764	2.3
89.02314	5.2
95.01282	1.2
95.04918	1.4
95.54302	0.8
96.95905	1.6
97.02841	2.9
97.06477	2.8
99.00788	1.0
101.02332	6.5
109.06469	1.8
111.08038	1.3
113.02332	5.1
119.03407	0.9
125.02338	2.6
125.09637	2.9
127.11194	2.2
137.09621	3.1
143.03404	1.0
145.04968	1.1
149.09631	0.9
155.10680	1.3
161.04485	3.4
161.09685	1.2
163.11221	1.3
165.12723	1.9
167.10690	3.3
171.10204	38.1
172.10561	1.2
177.12785	1.7
179.10692	2.7
179.14340	2.8
181.12279	1.3
183.13806	3.1
185.11778	1.5
193.12256	1.1
195.13867	9.9
197.11794	9.4
201.11298	3.3
205.08530	1.0
205.12276	9.4
207.10229	2.3
209.11803	12.5
211.13335	14.3
212.13666	1.1
213.11165	0.9
221.11803	3.5
223.13359	89.1
224.13699	5.0
225.11252	4.3
227.12874	2.9
229.14438	8.9
235.08189	11.6
239.12910	1.9
253.09270	27.6
253.11888	1.4
254.09470	1.2
265.14493	1.2
271.02542	1.3
286.09717	0.9
289.18088	4.4
291.19641	8.5
292.19943	1.0
300.02823	2.6
301.03406	1.0
307.19229	3.7
309.20691	16.1
310.21033	1.1
327.21768	100.0
328.22180	5.2
459.22470	10.2
460.22928	1.1
533.34460	1.9
545.29712	2.3
563.30542	4.4
769.40210	10.4
770.40955	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	769.437
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74055	1.9
57.03311	2.3
59.01247	20.5
61.98689	1.9
71.01256	28.3
72.31403	1.7
72.99178	7.8
73.01302	2.1
73.02827	2.6
75.00739	19.2
76.82922	2.1
78.95772	8.1
81.03367	2.7
83.04898	3.4
84.02059	2.4
85.02823	21.9
87.00750	8.3
89.02304	5.0
95.01265	6.6
97.02876	2.0
97.97006	1.8
99.00742	11.8
103.00257	3.0
113.02328	28.9
115.00273	2.6
125.09570	2.4
146.62602	1.9
147.40662	1.8
152.99496	2.9
163.11197	5.7
165.12764	3.6
171.10144	8.7
175.02365	4.8
191.10678	2.5
197.11771	6.2
205.08763	2.5
209.11774	100.0
210.12091	4.0
211.13364	2.3
223.09795	3.5
227.12798	11.4
229.52907	2.1
235.08231	3.4
249.06180	2.9
253.09288	7.1
277.21729	69.3
278.21927	4.8
291.19714	6.3
293.21207	2.7
309.20670	11.9
394.74454	2.2
402.01230	2.0
459.18900	2.9
477.20255	3.3
737.41174	96.2
738.41608	18.5
752.39600	2.4
769.43689	47.4
770.43774	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	769.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	4.0
59.01248	19.4
67.01772	1.6
68.66804	1.4
69.20296	1.5
69.36848	1.3
69.71722	10.9
71.01248	28.5
72.99174	7.5
73.02805	1.6
73.72850	1.6
74.43092	1.4
75.00750	26.0
75.70486	1.5
78.95777	3.3
80.96409	1.7
81.03301	2.0
83.01238	2.9
83.04888	6.5
84.02064	1.8
85.02825	26.4
86.68373	1.3
87.00732	9.4
89.02313	4.2
91.65202	1.6
95.01257	5.8
97.02790	1.8
99.00746	14.1
103.00234	3.3
113.02326	28.1
115.00282	3.0
117.01822	3.2
157.01222	1.6
163.11151	4.5
165.12840	2.4
167.95467	1.5
171.10173	6.5
175.02370	6.3
197.11649	2.4
207.10219	1.9
209.11763	55.0
210.12057	2.9
213.11079	2.0
223.09822	2.1
227.12805	4.7
245.29289	1.8
253.09328	2.4
277.21729	77.5
278.21960	4.7
291.19666	2.2
292.43704	1.9
293.21155	2.3
295.22720	3.0
296.22992	2.1
309.20633	2.8
358.02420	1.6
459.18597	2.4
527.28558	4.3
659.31757	1.7
719.39471	1.8
737.41205	100.0
738.41504	21.3
769.43665	62.2
770.44196	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	769.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.9
59.00990	0.8
59.01249	5.9
62.74689	0.9
69.29752	9.5
71.01254	6.5
78.95781	2.1
83.01257	1.0
83.04905	5.1
84.02018	1.2
85.02808	2.0
86.49856	0.8
87.00728	1.0
89.02316	3.1
95.04886	1.7
98.20509	1.6
101.02334	4.5
103.61937	0.8
108.12524	0.9
111.08055	5.5
113.02334	1.7
119.03439	0.9
125.02315	1.6
149.09634	0.9
157.82132	0.9
161.04417	1.2
163.11205	4.3
165.01837	1.4
165.12794	2.1
169.12341	1.1
171.10104	4.2
177.12726	1.3
179.10680	1.1
181.12276	1.5
191.10643	0.9
195.13809	3.4
197.11778	1.7
207.10217	1.0
209.11783	100.0
210.12096	5.9
222.39452	0.9
223.10028	0.9
225.11456	1.0
225.14828	1.5
227.12863	16.0
227.14888	1.6
235.08243	4.6
247.20622	1.1
253.09299	11.1
269.08182	1.2
273.18579	1.1
291.19675	83.3
292.19971	6.6
293.21036	1.2
309.20889	1.6
315.12570	1.4
323.22296	4.1
327.21597	1.0
331.08145	1.2
335.15808	1.0
341.23322	4.6
420.03094	0.9
445.21014	1.5
448.15350	1.0
527.28424	4.5
684.85797	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70613	1.2
54.21938	1.2
57.03314	2.2
59.01251	8.7
63.72138	1.3
69.03316	5.1
69.35981	12.0
71.01257	12.7
71.04891	2.0
72.99167	1.5
75.00738	4.2
76.04540	1.0
78.28455	1.0
78.95769	2.2
83.01216	1.6
83.04913	1.5
85.02370	1.3
85.02823	5.2
87.00758	1.6
89.02310	3.3
94.84741	1.1
95.01244	1.6
96.95908	1.8
97.06483	1.6
98.20593	2.0
99.00748	4.0
99.60126	1.1
101.02314	4.3
109.06483	2.0
111.04383	1.3
111.07361	1.1
111.08010	5.9
113.02326	8.1
119.03485	1.3
123.08056	2.3
125.02300	1.3
125.09611	2.3
127.85146	1.1
151.11179	2.8
153.12727	2.2
161.04404	1.6
161.09634	3.9
163.11197	3.0
169.12178	2.9
171.10196	8.7
179.10706	7.9
181.12323	2.4
183.13835	3.5
197.11766	82.6
198.12030	3.0
201.11191	1.7
208.25172	1.3
209.11792	17.2
211.13390	3.6
223.09764	2.9
223.13326	1.9
225.11285	5.3
227.12787	3.3
235.08189	1.6
241.10793	1.7
247.13452	1.6
253.09312	5.2
263.20258	2.2
289.18033	3.5
291.19659	2.8
301.03430	2.4
307.18939	1.5
309.20682	6.4
327.21661	2.1
349.25079	1.2
409.16125	1.1
459.18811	1.6
550.10431	1.4
552.43066	1.2
751.39655	2.4
769.40198	100.0
770.40515	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	769.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.4
57.03329	6.1
59.01250	29.2
60.48738	0.9
66.26481	1.1
71.01254	22.2
71.59655	1.0
71.60187	1.6
72.99174	6.9
73.02829	3.4
74.94843	1.1
75.00746	26.2
83.01264	3.2
85.02826	25.6
87.00750	8.0
89.02337	2.3
95.01247	5.4
96.74368	1.0
96.95908	1.8
97.02840	1.1
99.00758	6.9
101.02336	4.9
113.02333	23.7
115.00275	2.6
117.01831	1.3
124.01586	1.2
125.02358	6.5
129.01770	1.5
133.75975	1.1
135.04440	1.3
137.02357	2.6
142.00540	1.1
165.01811	1.2
165.05409	2.3
169.01395	2.7
175.02451	1.3
209.11725	1.7
210.33665	1.2
283.02548	1.8
289.07053	1.3
298.62827	1.1
313.07297	1.8
345.29990	1.8
399.47217	1.1
473.32538	1.2
507.35187	1.3
636.97705	1.2
706.20197	1.2
725.39661	100.0
726.39911	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	769.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01786	1.2
57.03329	5.6
59.01250	30.6
61.66092	0.9
68.49773	0.9
69.03333	1.7
70.00724	1.7
70.01135	5.0
71.01256	23.4
72.99166	5.6
73.02831	4.3
75.00751	23.8
77.77261	1.2
80.26415	1.1
83.01273	3.2
85.02825	26.8
87.00761	7.6
89.02328	2.9
95.01267	3.3
96.95927	2.9
97.02816	1.5
99.00763	6.7
101.02342	4.2
103.23425	0.9
109.02831	1.6
111.00773	2.4
113.02338	23.7
115.00243	2.5
117.01785	1.1
119.04976	1.7
121.02825	2.0
125.02337	11.2
129.01857	1.8
135.04437	1.0
137.02394	3.1
145.02823	1.6
151.03944	1.7
152.99228	1.0
157.01358	1.1
158.70082	1.0
159.04384	1.1
161.02449	1.4
161.04486	1.7
163.03970	1.8
165.01823	2.3
167.03365	1.2
169.01355	4.3
175.02451	2.4
175.03902	1.2
177.01958	2.2
191.01938	1.0
285.04306	1.3
345.30313	1.4
503.13730	1.0
683.38171	1.4
707.38715	1.4
725.39630	100.0
726.40094	14.7
769.38922	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	6.8
59.01251	47.5
67.01736	1.2
68.42264	1.0
68.99693	2.1
69.03320	1.0
69.05113	1.1
70.15312	2.9
70.15726	3.6
71.01248	27.2
72.99188	7.9
73.02810	2.1
75.00744	17.6
77.42147	1.1
83.01244	2.3
85.02343	2.0
85.02825	31.6
87.00771	8.3
89.02311	6.2
91.03844	1.7
95.01289	6.5
95.04856	1.9
96.95902	1.2
97.02796	1.6
99.00242	1.1
99.00765	11.9
99.04356	3.2
103.00225	3.0
109.02811	2.1
109.24066	1.2
111.00749	1.4
113.02332	35.1
115.00275	2.2
117.01789	2.3
123.04411	1.4
125.02339	14.1
126.81903	1.1
129.01831	2.1
137.02322	1.3
157.01308	1.3
165.12732	4.5
167.03445	1.7
169.01308	2.0
175.02426	2.6
189.12781	3.7
205.06984	1.7
207.04959	1.4
207.13818	6.8
209.11757	6.2
249.06140	15.7
251.12738	1.9
267.07233	19.5
269.13696	1.7
285.04068	2.2
289.07224	1.2
309.08295	2.2
457.20615	4.0
459.18375	1.3
501.19745	1.6
519.20490	2.9
593.24518	6.3
751.26605	4.8
769.27643	100.0
770.27917	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03303	4.2
59.01259	13.3
61.98695	2.0
69.03342	6.2
70.04432	4.1
70.04834	2.3
71.01251	16.7
71.04890	2.6
72.99128	2.7
73.02832	2.4
75.00743	5.7
78.95786	1.6
79.82423	1.1
83.04887	4.6
83.32804	1.1
83.64991	1.1
85.02818	8.7
87.00738	3.3
89.02312	4.8
95.01234	1.6
95.04884	3.3
96.95840	2.0
97.02804	3.6
97.06462	2.3
99.00743	5.0
101.02312	6.0
109.06459	3.7
111.08025	7.1
113.02337	9.5
114.96030	1.3
123.08009	2.5
125.02359	2.8
125.09618	5.0
151.11191	4.4
153.12799	1.7
161.04451	2.8
161.09625	4.2
163.11151	4.9
165.12799	2.3
166.88397	1.3
169.12231	3.9
171.10172	14.1
179.10709	8.6
181.12277	2.4
183.13824	1.5
185.11676	1.6
195.13828	3.1
197.11766	88.4
198.12108	4.4
199.13278	2.1
201.11234	5.0
207.10190	4.3
209.11761	46.2
210.12076	2.9
211.13361	3.5
223.09712	2.4
223.13362	3.0
225.11246	9.1
227.12874	7.8
235.08289	2.3
235.13232	2.1
237.14944	1.4
237.90858	1.3
241.10782	3.6
247.13310	2.7
253.09233	11.1
255.03015	2.2
263.20215	1.4
265.14377	2.4
271.02408	2.7
287.16516	1.6
289.18088	15.3
291.19580	5.2
300.02789	7.4
301.03119	1.4
305.17508	5.1
307.19080	4.1
309.20758	7.8
327.21597	1.7
477.19806	1.9
593.23981	1.7
607.34656	1.7
639.47455	1.4
655.05554	1.3
751.38831	2.6
769.40143	100.0
770.40369	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	769.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	5.3
59.01252	79.2
60.01629	1.6
63.26941	1.7
67.45059	1.9
69.03345	2.4
71.01256	56.5
71.60149	2.5
72.99191	4.1
73.02822	7.2
83.01271	6.8
85.02830	18.6
87.00749	4.6
87.04356	1.7
89.02317	23.3
95.01276	7.2
99.00774	2.7
101.02319	29.0
103.19045	1.8
109.02843	1.8
111.00794	2.3
111.22797	1.6
113.02334	23.9
119.03393	10.2
124.01526	2.5
125.02337	12.4
130.30008	2.0
137.02348	2.3
143.03372	3.8
152.99434	2.6
161.04482	3.3
166.02609	1.8
169.01479	3.2
187.13420	2.5
190.41193	1.8
197.11731	1.7
201.14824	2.3
209.08124	8.5
222.69382	1.5
223.04610	2.2
359.28091	5.1
425.71143	2.4
485.31564	2.2
503.32175	15.4
521.33398	14.6
665.37488	100.0
666.37994	15.3
683.38647	53.3
684.39209	7.1
725.39734	18.3
726.39532	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	769.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.5
59.01252	45.2
69.73456	3.0
71.01257	3.4
73.02817	1.3
81.03331	2.9
83.01265	1.0
85.02805	1.4
85.06463	0.9
87.00780	0.5
87.04369	0.6
89.02316	0.8
95.01254	0.5
97.02795	0.6
98.20010	1.0
98.20576	0.5
101.02335	0.8
109.06469	1.7
111.04409	2.9
113.02322	1.7
119.04928	0.6
121.02843	0.7
123.04441	0.6
125.02342	5.3
136.05217	0.6
137.02307	0.7
139.03963	0.6
148.05206	45.9
149.02356	0.8
149.05553	1.9
151.07558	26.9
152.07861	1.6
159.22144	0.4
161.04468	0.9
163.07559	49.8
164.07878	2.4
165.05455	1.2
175.00339	0.6
175.01813	0.4
177.05481	1.2
179.07100	1.0
180.28229	0.4
191.07072	1.1
195.06563	100.0
196.06862	3.8
201.05551	1.4
203.05510	2.3
207.06509	1.0
209.08191	3.2
219.06583	31.3
220.06892	1.8
237.07669	9.2
249.07693	3.7
297.09875	1.6
357.11917	39.8
358.12210	3.1
367.14066	0.5
402.64685	0.4
648.94672	0.6
665.37628	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	12.2
59.01243	3.1
68.99670	0.9
71.01268	1.0
71.57302	0.9
72.51449	0.7
81.03352	1.4
83.01265	3.3
89.02301	1.0
93.03335	3.1
95.04897	1.3
97.02838	1.5
107.04877	1.4
109.02838	12.6
119.04926	1.7
121.02864	8.9
123.04399	6.6
125.02338	85.8
126.02661	1.6
132.02086	1.0
133.02818	4.0
134.03656	1.6
135.00801	1.3
135.04465	4.7
137.02348	14.8
139.03917	2.3
145.02869	4.4
147.00693	0.9
149.02347	11.6
151.03896	9.1
159.04425	4.6
160.01570	2.3
161.02347	2.5
161.05977	3.8
162.03078	1.3
163.00262	3.5
163.03926	4.1
164.01077	2.2
164.73601	0.8
165.01804	3.4
165.05460	1.2
167.03380	1.8
169.01338	3.4
175.00233	1.5
175.03922	10.9
175.07530	0.9
177.01851	100.0
178.02173	4.1
179.03394	2.9
183.04335	1.7
185.05989	2.7
187.03925	7.7
188.04507	1.0
191.03441	1.9
193.05103	1.6
199.03859	2.4
201.01950	1.1
201.05437	2.0
203.07074	3.6
205.05022	3.4
213.05412	1.2
215.03331	1.6
217.04951	1.8
219.02917	2.5
227.03467	1.9
227.07176	1.3
229.04990	3.7
231.03004	1.1
243.02994	7.7
245.04402	1.2
245.08202	7.1
253.05038	1.8
255.02966	8.7
256.03674	4.7
257.04456	1.3
261.03943	2.5
267.03055	1.5
269.04520	2.3
271.06116	7.7
271.09756	4.0
273.04077	7.4
281.04541	2.7
283.02426	1.6
285.04022	1.9
287.05582	0.9
289.07190	33.9
290.07495	2.3
301.03372	1.8
303.04990	7.8
315.05045	1.7
321.07645	1.3
322.24890	1.0
339.08679	2.3
381.09915	2.9
389.06561	4.6
407.07724	58.5
408.07968	6.0
425.08701	6.0
441.08307	1.2
449.08725	2.5
465.11771	3.9
467.09503	6.1
487.21283	0.9
575.11908	1.8
583.12445	5.1
584.12939	1.3
593.13037	7.2
594.13312	1.4
601.13574	11.6
602.13782	2.7
643.14612	1.5
769.17456	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	768.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.2
59.01236	0.6
61.98705	100.0
62.98423	0.3
70.45473	0.6
71.01284	0.5
72.35770	0.2
75.00737	0.2
85.02833	0.5
89.02370	0.2
96.95895	0.5
113.02357	0.2
119.02757	0.2
121.02847	0.2
125.02351	0.8
137.02316	0.5
140.27698	0.2
149.02435	0.2
165.01833	0.2
169.01416	0.2
209.11906	0.2
233.08205	0.3
255.03091	0.2
309.95187	0.2
310.21161	0.3
452.24734	0.2
724.39166	0.3
725.39447	0.3
757.05688	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	5.3
65.00187	1.7
70.15902	5.8
81.03297	1.8
83.01253	3.2
83.33142	1.6
93.03341	1.8
98.20492	2.0
98.25751	1.9
116.55753	1.4
125.01436	3.2
125.02332	53.1
149.02354	4.3
151.00290	15.6
152.01118	3.8
153.01900	2.6
173.06078	2.8
177.05504	2.3
178.99826	9.5
179.03288	1.9
193.01340	3.8
201.05493	2.1
215.03099	1.5
215.07141	2.7
243.06544	2.0
259.06113	49.2
259.08807	3.0
260.06351	3.6
269.04575	41.6
270.04779	2.4
287.05612	30.5
288.05908	2.6
356.71667	1.7
422.93793	1.6
431.09854	2.3
449.10870	100.0
450.11243	10.0
477.66226	1.6
488.44260	1.5
705.22882	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	767.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	13.6
71.01246	1.9
72.73558	0.6
73.02820	1.0
78.95776	1.7
79.95626	0.6
80.96387	4.2
85.02789	0.8
89.02325	1.2
94.97924	1.1
101.02334	2.0
161.04469	1.0
183.13858	4.9
193.12244	1.5
203.25308	0.7
204.10921	0.7
211.13330	100.0
212.13667	5.3
225.00639	1.3
235.08139	1.6
253.09251	5.3
273.15491	0.7
277.21713	49.0
278.22116	4.0
309.86829	0.7
385.42297	0.6
447.22412	5.1
448.22726	1.0
767.41034	7.5
768.40558	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	1.7
57.03322	7.3
59.01251	36.8
59.24960	0.8
60.34814	0.9
62.99740	0.8
63.31529	0.8
69.03340	1.2
70.72083	1.8
70.72479	2.1
71.00843	1.1
71.01250	24.9
72.99188	6.1
73.02812	3.8
75.00750	30.0
83.01254	4.2
85.02824	32.9
85.03352	1.6
87.00759	9.6
88.98669	5.2
89.02316	4.2
93.82874	1.0
95.01261	4.0
96.95901	5.1
97.02853	1.6
99.00758	9.3
101.02335	6.4
108.02002	0.9
109.02847	1.4
111.00726	2.2
113.02332	27.5
115.00252	4.2
117.01808	2.2
119.04911	1.7
125.02342	5.6
129.01768	1.1
130.91522	0.9
134.03548	1.1
137.02338	1.3
149.02316	1.9
150.03076	1.1
150.35951	0.8
157.01329	1.4
157.12245	1.2
159.10191	1.4
161.02374	1.5
161.51897	0.9
163.03963	1.3
165.01930	1.0
167.03236	1.0
169.01329	2.8
175.02359	3.3
179.03120	0.9
193.05017	2.5
195.06560	1.3
209.11736	2.4
210.60513	1.0
257.13104	1.1
363.30533	1.1
476.93613	1.0
705.36646	1.6
723.38080	100.0
724.38409	17.6
767.30103	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.6
57.03319	3.5
59.01252	14.3
60.99176	2.8
62.07804	1.4
69.03329	4.5
71.01262	11.7
71.58649	3.2
73.02818	4.5
78.95773	2.4
80.02554	2.6
81.03305	3.8
83.01299	1.7
83.04903	9.5
85.02829	7.6
87.00755	3.0
88.98677	18.0
89.02296	7.3
93.03329	1.7
95.01244	2.6
95.04908	3.6
97.02843	11.0
97.06498	2.2
101.02339	9.7
104.17970	1.5
109.02814	2.1
109.06480	4.8
110.03619	2.3
113.02320	7.2
123.04426	3.2
123.07989	2.8
125.02309	4.7
125.09591	4.6
128.23975	1.7
137.09625	3.7
143.64632	1.7
149.36977	1.8
161.04471	3.8
163.11211	3.5
165.12788	6.6
167.10678	4.0
169.01407	2.1
169.38536	1.7
171.10132	8.3
175.11169	2.7
177.12767	10.6
179.14360	2.7
181.12289	3.8
184.72507	1.7
185.11710	6.3
191.14334	3.4
193.12262	2.9
195.13893	8.4
197.11710	6.1
203.10716	2.9
205.12253	7.7
207.10239	2.3
209.11751	11.0
211.13350	9.9
212.17358	1.7
221.11787	67.9
222.12115	2.9
223.13356	39.7
225.11200	2.7
227.12833	6.5
235.08194	6.7
237.11255	2.5
237.14955	5.6
239.12852	100.0
240.13249	4.8
245.19102	4.3
247.20633	5.6
250.15234	1.6
253.09274	25.1
269.08182	4.7
270.05359	2.1
285.07675	5.0
289.18076	15.5
291.19678	42.8
292.20053	3.6
293.21274	3.4
307.19174	10.8
309.20688	60.2
310.20966	4.2
315.12442	13.3
457.20782	4.2
461.68060	1.8
475.21887	14.5
502.57065	1.8
551.40222	1.9
598.54639	1.8
767.41815	10.8
782.56976	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	767.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	1.4
57.03313	5.2
59.01250	19.2
63.02279	1.9
65.00195	4.3
71.01256	20.6
72.99196	3.6
73.02814	2.6
75.00751	17.0
83.01251	7.5
85.02830	23.7
85.03318	0.9
87.00739	8.2
89.02305	4.6
93.03320	1.6
95.01275	3.8
96.95879	6.2
98.20596	2.0
99.00750	7.2
101.02335	6.8
103.00270	1.3
107.01260	5.1
109.02814	2.9
111.00765	2.4
113.02333	18.1
115.00208	1.6
121.02823	6.4
123.00791	1.4
123.04431	1.3
125.02348	13.6
129.01839	3.3
133.02858	10.6
135.04393	2.0
137.02361	3.4
139.03929	1.9
145.02896	1.6
149.00783	1.5
149.02373	4.2
150.03181	1.3
151.00278	19.5
159.10146	2.4
161.04431	1.7
163.00322	3.3
163.03937	2.1
164.01041	1.7
165.01881	1.4
165.05476	1.2
169.01352	5.8
175.00276	1.5
175.02460	2.1
175.03893	3.1
177.01852	2.5
178.99840	7.0
187.03952	2.4
195.06660	1.7
199.03946	2.7
209.11774	3.2
215.03468	1.6
217.04961	2.0
229.04977	1.4
243.03067	1.7
255.02853	1.5
257.04761	1.5
265.67847	1.2
273.04153	1.3
285.04053	85.9
286.04431	7.5
289.07092	5.8
301.03528	36.5
302.03806	3.7
391.05396	1.5
465.08014	2.7
481.22916	100.0
482.23138	6.6
591.11127	3.7
663.36774	1.4
723.37659	4.4
767.36420	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	767.262
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	8.9
59.01253	46.0
59.93269	1.4
61.97903	1.3
66.05778	1.5
67.01766	2.0
68.99687	3.0
69.03320	2.3
69.55160	13.4
71.01254	26.6
72.99185	9.8
73.02809	3.2
75.00754	23.8
81.68996	1.6
83.04918	2.4
85.02821	30.8
87.00754	11.6
89.02314	6.2
94.03282	1.5
95.01265	7.1
98.20549	2.2
99.00748	15.2
101.02316	1.9
103.00256	2.8
111.00787	1.7
113.02336	40.8
115.00242	4.4
117.01841	3.1
125.02296	2.2
129.01834	4.3
131.03381	2.7
134.03554	2.3
135.04401	1.7
139.00249	2.3
145.37494	1.8
150.03098	1.7
153.54977	1.5
161.09598	3.1
161.13277	2.5
163.11258	2.1
165.05396	2.0
166.40401	1.6
187.11165	5.4
189.09122	3.0
193.04988	2.1
195.06552	2.6
205.07191	2.4
205.12297	4.4
207.05052	2.3
207.10165	3.8
231.04922	1.9
249.06175	20.9
267.07184	28.0
309.08231	3.5
323.14484	2.2
455.19330	3.3
457.17148	3.5
499.18307	5.7
517.19183	4.6
555.64911	1.5
591.23279	8.2
749.24585	8.9
767.26190	100.0
768.26550	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	767.262
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	7.1
59.01252	47.7
67.01739	1.5
68.99682	2.5
69.03300	1.6
71.01256	30.2
72.99180	6.7
73.02808	1.7
75.00748	20.5
85.02822	29.0
86.03142	1.5
87.00755	9.5
89.02313	6.9
93.03299	1.7
95.01270	6.0
98.18356	1.1
99.00762	11.7
101.02313	3.1
103.00233	3.5
113.02328	32.6
117.01807	2.7
124.94799	1.3
125.02371	3.0
129.01822	2.2
149.02324	1.7
155.17596	1.3
161.09619	1.6
161.13275	1.8
163.11121	1.4
175.02409	1.8
179.05499	1.4
187.11201	4.2
189.09149	1.4
205.07076	2.9
205.12276	4.7
207.10170	2.5
223.13329	2.0
249.06128	15.2
267.07205	23.8
309.08282	4.0
457.16837	2.1
510.66949	1.4
517.19067	4.1
591.23077	6.6
673.59033	1.5
749.25159	5.3
767.26129	100.0
768.26404	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	0.9
59.00988	0.8
59.01256	10.2
71.01264	3.6
73.02816	0.7
75.00751	0.9
81.03331	1.2
83.01223	1.0
85.02817	1.9
89.02295	1.2
98.20518	2.0
101.02327	2.0
109.02792	0.9
111.04391	0.7
113.02291	2.2
121.02832	1.5
122.89804	0.6
124.01572	1.7
125.02343	8.4
133.02901	0.9
134.03610	0.8
135.04439	3.4
137.02373	1.2
146.03584	1.1
149.02341	5.1
151.07532	3.4
156.61559	0.8
157.17809	0.7
161.06006	0.9
163.03915	5.0
164.04738	4.7
169.01347	1.3
175.03708	0.9
179.02959	0.6
195.06573	11.3
196.06911	3.3
197.07121	1.3
198.46133	0.7
219.06580	2.9
220.07021	0.9
225.05577	0.8
237.07683	0.9
253.05052	2.2
254.05820	1.4
257.08273	0.8
259.13315	0.7
268.07401	1.0
269.08194	25.6
270.05331	10.1
270.08472	2.0
275.09253	1.8
276.09583	1.1
277.09814	0.8
285.07697	24.3
286.08063	2.1
300.10031	21.7
301.10406	1.8
315.12390	100.0
316.12677	6.9
321.19055	0.9
329.06613	0.7
357.11743	3.2
358.12216	1.6
359.12567	1.4
459.16699	8.3
460.16928	1.4
477.17685	4.2
501.17886	3.2
502.18207	1.1
519.18744	12.6
520.19171	2.2
561.19757	1.6
663.35895	1.8
678.16339	0.8
681.36804	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	2.8
59.01252	7.6
59.93877	0.7
65.00195	1.1
71.01260	4.3
72.99174	1.5
73.02803	1.6
75.00758	4.8
81.03322	4.9
83.01257	2.1
85.02843	4.4
85.06486	0.8
87.00731	1.3
88.98650	0.8
92.07645	0.8
95.01273	1.1
95.04886	0.9
96.95891	2.1
98.02146	0.6
99.00787	2.0
101.02312	1.0
106.14220	0.7
106.48230	0.8
109.02866	0.9
109.06479	3.0
111.04417	5.2
113.02341	3.8
121.76881	0.7
125.02349	14.9
127.07504	0.7
133.02820	0.7
133.06502	1.6
136.05206	1.6
137.02332	2.3
148.39648	0.7
149.02332	1.7
150.03159	1.5
151.00333	1.0
151.03937	1.2
151.07562	38.2
152.07887	1.3
159.04384	0.9
161.02434	1.0
167.03400	1.8
169.01337	3.0
171.04378	1.7
174.03149	1.0
175.03873	1.0
176.76547	0.7
179.03325	0.8
187.03874	1.4
188.04736	2.2
189.05492	2.6
195.06566	100.0
196.06883	5.3
198.03056	1.3
199.04018	3.5
203.03384	1.4
207.06599	0.9
209.11787	1.3
211.04071	1.2
215.03444	1.7
217.05025	4.0
219.06558	3.1
220.39783	0.7
220.42274	0.8
227.03448	13.4
229.01297	1.4
243.02931	3.6
245.04555	1.8
250.91620	0.8
253.01346	1.4
257.04407	1.5
263.03415	0.8
271.02499	1.9
281.04572	1.9
295.06485	0.8
299.05591	1.0
323.05527	1.3
347.05670	1.8
365.06726	2.3
367.04520	2.0
391.04736	2.2
409.05807	2.2
415.06616	1.7
434.35278	0.9
506.21286	0.8
553.09778	2.4
571.10748	5.5
587.14813	1.5
611.14001	8.7
612.14001	1.6
716.09125	0.8
719.40332	0.9
722.37238	1.2
723.38318	10.4
749.17737	1.9
767.18274	5.6
767.30664	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	1.3
63.96098	1.4
68.78049	0.8
71.01261	8.7
73.02811	1.4
78.98469	6.3
79.95614	13.4
80.96395	83.7
85.02818	3.7
87.00739	1.9
90.48312	0.8
91.42780	1.0
94.97964	19.1
97.02806	2.0
101.02322	3.2
106.97974	2.9
122.97440	2.5
125.02328	3.3
134.97482	5.4
136.98999	1.7
148.99045	4.2
152.98537	6.0
164.98547	12.6
178.07184	1.0
206.99660	2.1
209.11754	2.1
225.00716	23.7
229.38321	1.1
255.23250	1.6
309.22745	0.9
509.16956	2.8
614.71814	1.4
753.37500	1.0
765.41003	100.0
766.41437	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	765.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	7.6
60.74686	0.7
61.98697	2.0
68.46434	0.7
69.53784	0.6
71.01252	1.3
72.99189	1.0
88.98673	2.0
89.02300	1.4
91.36018	0.6
101.02334	1.4
116.92769	0.8
125.02364	1.0
161.04417	0.9
165.12718	0.6
183.13809	6.5
193.12283	1.6
211.13338	100.0
212.13663	4.8
235.08145	1.5
253.09325	2.7
343.18884	0.7
405.89459	0.7
429.21262	1.5
447.22397	10.0
448.22620	0.8
623.33966	3.4
636.46533	0.8
641.35522	2.6
684.03015	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	10.8
63.67702	7.6
63.96668	7.8
65.84801	9.5
71.01273	8.7
141.39635	11.2
151.00267	34.4
178.99776	15.8
183.83060	8.1
229.57141	12.6
301.03555	100.0
477.06699	65.8
679.20190	9.7
757.21661	9.6
767.26239	31.9
772.09381	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	765.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.3
56.95747	1.1
57.03326	7.7
59.01254	33.5
60.38860	1.2
65.67689	0.9
67.01782	1.3
69.03352	1.3
69.42319	9.1
71.01255	23.3
72.99181	7.9
73.02814	3.3
75.00352	1.9
75.00753	26.1
82.45146	1.1
83.01254	3.3
85.02824	32.6
87.00744	8.8
88.98663	1.7
89.02316	3.5
95.01263	3.6
96.95904	10.9
97.06475	1.1
99.00770	10.0
101.02335	6.3
108.02068	1.4
109.02815	1.7
110.11659	1.1
113.02337	27.6
115.00259	3.7
117.01820	1.3
125.02351	9.4
129.01820	1.1
137.02335	1.7
149.02321	1.4
149.04361	1.6
150.03160	2.3
151.03967	1.6
152.01093	1.4
157.01299	1.3
165.01817	1.1
165.05429	1.2
167.03474	1.2
169.01353	2.7
175.02362	2.8
177.01872	1.4
186.70476	1.0
239.94690	1.1
429.10428	2.1
445.67862	1.2
497.24008	1.2
644.99969	1.2
661.81879	1.1
721.36560	100.0
722.36823	17.2
765.35162	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	765.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80831	3.7
57.03316	9.1
57.67616	4.3
59.01255	58.6
59.14884	4.0
60.99176	12.3
61.98702	12.2
69.03336	5.4
71.01254	41.7
71.23497	9.1
72.99184	6.3
73.02830	6.2
75.00753	11.0
77.76108	3.5
81.03345	4.0
83.01250	9.9
85.02835	18.0
87.00752	12.4
88.98141	6.6
88.98673	56.3
89.02324	35.2
96.95917	7.6
97.02844	7.9
97.06490	8.6
98.21236	3.7
98.68597	4.2
101.02320	33.1
109.06490	4.3
113.02342	15.6
119.03400	9.4
121.02791	3.8
123.04424	3.9
125.02351	21.4
125.09602	11.0
137.09637	6.5
143.03430	6.0
161.04445	9.1
163.11186	8.0
169.01335	6.8
173.10104	3.9
179.05412	4.1
181.12280	5.1
185.11832	9.3
191.14348	6.4
204.66035	4.4
207.10194	7.3
209.11752	40.2
210.12111	4.7
211.13414	12.2
219.06557	7.8
225.11261	5.0
227.12828	8.9
235.08125	13.0
245.19057	19.7
253.09338	4.6
263.20135	8.8
289.18121	96.9
290.18521	8.0
307.19171	100.0
308.19522	6.4
313.63193	4.0
397.13388	51.1
415.14539	44.7
441.17108	4.5
526.35199	4.3
545.31848	4.9
607.25830	9.1
640.14923	5.1
646.65692	5.1
705.33563	6.1
721.36017	7.1
765.35559	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	765.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.5
60.99177	17.1
71.01242	0.4
78.95790	0.3
84.18844	0.2
87.00758	2.0
88.00277	3.1
88.01100	0.3
88.98676	100.0
89.02313	15.8
89.99015	0.9
111.78099	0.2
116.70985	0.2
144.73877	0.2
173.83586	0.2
208.61688	0.2
246.43202	0.3
277.21674	0.5
374.98431	0.3
397.13647	1.2
415.14484	0.6
466.37256	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.8
60.99181	19.4
61.98696	0.4
64.11232	0.4
70.97129	0.5
70.97447	0.8
71.01271	0.4
78.95739	0.4
82.73315	0.4
84.80274	0.4
85.02830	0.5
87.00758	1.9
88.00269	2.9
88.98683	100.0
89.02321	12.2
89.99009	1.0
109.17462	0.3
111.85613	0.4
118.44082	0.4
209.11783	0.4
223.13350	0.8
277.21793	0.6
397.13498	0.9
765.40839	1.0
770.25854	0.5
779.02838	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65679	1.0
59.01259	6.5
70.07665	6.0
73.02863	1.8
78.95789	2.2
85.02826	1.6
89.03800	1.2
96.95896	2.5
99.61507	1.1
103.72655	1.1
112.40262	1.3
113.02276	2.1
113.69938	1.1
117.03353	4.5
125.02322	2.6
134.03625	74.5
135.03928	3.1
149.05959	6.9
150.03136	1.3
160.01572	6.0
175.03947	10.2
178.02609	3.3
189.58011	1.3
193.04985	100.0
194.05377	3.8
205.83397	1.1
284.17535	1.2
485.24103	2.4
527.25018	1.4
545.25494	1.7
643.48969	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.297
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96465	1.2
59.01251	6.0
68.01160	1.3
71.01252	2.0
71.57669	2.0
78.95783	2.0
85.02824	1.9
96.95893	1.5
99.00729	1.5
109.55449	1.3
113.02313	1.5
117.03371	4.5
132.02087	1.9
134.03630	71.2
135.03966	2.1
137.02350	2.6
149.05989	5.1
160.01598	5.8
171.10136	2.8
175.03894	8.3
178.02609	2.4
178.50363	1.4
193.04988	100.0
194.05376	3.8
211.13263	2.6
217.29123	1.2
227.03352	1.5
229.14381	1.9
296.87424	1.3
312.74936	1.3
327.21750	20.5
485.23856	3.5
527.25073	1.6
721.30725	2.2
736.96277	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27494	1.8
59.01243	5.9
61.80122	1.7
68.25648	1.8
69.03325	3.1
83.54926	1.7
85.02832	3.3
87.55275	2.3
87.89116	2.1
96.95907	1.9
98.20566	4.5
104.98855	2.0
124.01546	2.5
125.02341	100.0
133.78490	1.8
157.36572	1.7
159.04408	2.6
168.00520	4.2
169.01347	76.9
186.03015	2.2
187.03946	31.7
188.04700	45.7
189.05090	2.4
202.02702	2.5
205.05112	2.3
211.07603	5.1
213.05507	3.0
214.02689	3.8
215.03491	10.1
216.04231	33.5
217.04468	3.6
225.50658	2.5
228.07918	4.1
229.08687	11.4
239.07132	12.6
255.06493	4.8
257.08163	73.8
258.08563	5.6
259.06119	2.9
273.07852	3.0
283.06174	9.3
287.07773	3.0
301.07242	15.3
312.00549	2.1
313.05759	2.9
327.04987	2.5
331.06696	4.5
345.05927	3.3
385.95517	2.0
445.11176	11.9
446.11401	2.5
489.10483	6.8
549.12238	2.0
553.13434	2.4
571.14575	26.5
615.13562	45.2
616.13568	5.8
659.12500	17.6
660.13263	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	763.413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50184	2.6
55.49958	2.9
57.47655	2.7
59.00990	3.6
59.01257	33.9
65.52924	2.6
67.31194	2.7
71.01258	37.4
73.02829	4.0
78.95790	8.4
81.03300	3.1
85.02823	4.2
85.33148	3.3
87.00774	7.5
87.83909	2.7
89.02308	23.1
97.02854	6.0
99.00751	3.2
101.02322	26.5
113.02329	14.2
119.02457	3.4
119.03378	7.0
125.02352	16.5
143.03442	5.3
152.99530	6.0
161.04425	4.6
179.05568	6.0
222.38725	3.0
230.21489	2.9
235.08218	14.9
250.54926	3.3
305.24878	74.8
306.24988	6.1
329.25604	3.1
397.13470	100.0
398.13800	4.4
415.14520	33.8
726.93390	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	761.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	9.8
61.98715	5.1
68.35455	2.4
71.01254	5.3
72.41679	2.7
75.18864	2.7
75.78489	3.1
83.04940	4.6
87.00753	5.2
88.98679	6.5
89.02319	3.1
98.19769	7.3
100.38499	2.9
101.02316	4.2
125.02330	6.8
171.10220	6.0
195.13853	6.8
205.12155	7.9
209.11772	100.0
209.13792	5.0
210.12209	3.8
223.13364	81.0
227.12845	12.8
235.08151	8.9
253.09335	7.6
459.22385	11.7
547.50378	2.9
633.32709	4.0
651.34094	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	761.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96114	2.2
69.03309	0.7
70.89026	0.9
71.01256	9.6
73.02809	2.7
78.95776	0.9
78.98462	9.4
79.95606	17.1
80.96393	100.0
81.03307	1.1
81.96336	0.9
85.02828	3.8
85.59309	0.7
87.00748	3.8
94.97957	23.8
96.95901	1.2
97.02842	2.6
98.19750	1.6
101.02331	3.9
106.97944	4.2
110.98498	0.7
114.58761	0.8
120.35988	0.9
122.97456	4.7
125.02341	4.2
127.03864	1.2
134.97469	7.2
136.99025	2.3
148.99054	9.4
152.98566	7.4
164.97279	1.1
164.98564	16.8
206.99641	3.4
223.13393	1.3
225.00691	24.9
226.01103	1.2
229.44267	0.8
244.19395	0.8
255.23297	1.9
281.24881	1.3
283.04761	0.9
398.91885	0.8
505.17456	3.1
761.41431	93.9
762.41809	21.4
770.14233	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	4.0
57.49462	2.0
65.00177	1.6
71.57649	4.1
77.65450	2.1
83.01259	3.0
84.98912	1.8
89.81602	1.7
91.24060	1.9
96.36581	1.7
107.01276	4.4
109.02838	2.2
123.00721	3.3
125.02345	28.1
136.44688	2.0
137.02347	5.1
139.03915	3.3
147.00807	2.4
151.00273	13.2
152.01076	2.1
153.01862	9.4
156.11519	1.9
161.02034	1.9
165.01797	6.7
167.03378	2.8
169.01357	5.1
175.00259	15.0
178.99748	11.1
181.01334	1.8
189.61720	1.9
191.03380	5.9
193.01349	100.0
194.01688	4.7
199.56528	1.9
215.03363	7.4
257.04535	3.2
273.56720	2.2
301.03561	21.0
319.04559	15.1
383.54929	1.7
536.41296	1.8
794.65472	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	761.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17747	1.9
54.37569	1.9
57.03374	2.0
57.08498	1.6
59.01254	34.4
67.25581	1.9
69.56260	2.1
70.27693	1.7
71.01253	3.1
71.59381	4.8
72.99184	3.6
85.02834	3.1
104.21117	2.1
104.90963	2.4
107.01295	4.3
113.02357	4.1
119.04926	6.6
121.02789	2.9
123.00780	6.1
124.57575	2.3
125.02354	29.3
137.02309	2.5
139.00244	2.5
147.04417	71.9
151.00249	5.1
165.01691	2.5
165.05493	64.5
168.00603	3.3
169.01337	37.0
177.01909	2.6
180.07841	9.4
185.86548	2.1
192.42654	2.1
207.06577	38.4
208.06947	2.4
313.05734	8.2
436.36548	2.1
509.16647	100.0
510.16830	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	761.136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	11.1
60.52208	1.1
70.72276	3.3
81.03314	1.8
83.01248	1.9
87.19411	1.1
93.03357	1.3
95.04879	2.0
105.03368	2.5
107.04874	1.6
109.02855	5.7
121.02859	3.4
123.00815	1.6
123.04403	1.3
125.02340	100.0
126.02652	3.7
131.04942	1.8
133.02808	2.6
137.02351	12.5
139.03903	5.5
147.00801	1.3
149.02357	6.8
151.03915	10.4
160.16127	0.9
161.02357	17.8
163.00299	5.1
163.03923	2.0
164.00986	3.0
165.01857	6.7
167.03394	4.4
169.01341	10.5
174.03262	1.2
175.00246	2.2
175.03928	15.2
176.01004	1.9
177.01863	73.2
177.05475	3.4
178.02184	3.0
179.03424	4.1
183.04501	2.0
187.04007	1.6
189.01814	1.5
191.03349	3.3
193.01367	3.1
193.04990	5.0
197.06027	1.4
199.03947	2.9
201.01889	1.3
201.05600	2.0
203.03468	1.1
211.04105	1.3
215.03447	2.4
217.04987	8.5
219.02925	5.8
219.06561	3.3
221.04424	3.0
225.05467	1.7
227.03484	3.6
229.01389	3.1
229.05019	1.6
233.04308	1.1
243.02951	20.1
243.99413	1.1
253.04814	1.3
255.02957	14.6
256.03726	2.5
257.04504	2.2
261.04184	5.5
269.04617	7.1
273.04047	2.6
282.01700	2.0
283.02460	6.6
285.03983	5.3
287.05579	8.6
297.04007	5.6
301.03531	5.5
303.05103	7.7
305.06641	22.4
313.03577	1.8
387.05014	1.5
405.06201	7.4
423.07214	56.9
424.07547	6.4
441.08112	4.4
453.07602	1.3
457.07550	2.3
465.08359	4.1
483.09064	4.7
502.25052	1.2
575.08380	2.1
591.11389	5.2
609.12292	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	761.158
Annotation	Quercetin 3-(2''-galoylrutinoside)
Peak:m/z	Relative Intensity
57.44226	1.3
59.01242	2.7
63.02246	1.6
65.00183	7.5
71.01248	3.4
71.57690	2.2
75.22088	1.4
78.76914	1.4
79.44879	1.3
83.01248	5.2
84.60621	1.5
87.44939	1.1
90.50868	1.3
93.03331	1.5
95.01259	3.4
107.01266	20.9
109.02865	1.8
111.00805	1.4
112.51928	1.4
121.02840	3.4
123.00756	7.8
123.04429	1.3
124.01524	1.4
125.02338	48.8
126.02608	2.1
133.02838	1.3
137.02321	2.6
139.00243	5.1
140.01031	2.1
144.11285	1.2
147.60214	1.3
149.02318	2.4
151.00272	66.9
153.01825	4.9
163.00288	3.5
164.01071	2.3
165.01877	2.0
166.99852	1.3
167.03415	6.7
168.00552	4.3
168.04221	2.5
169.01341	58.7
169.02792	3.2
170.01674	2.3
175.00298	6.2
175.03888	2.7
177.01808	5.5
177.31461	1.5
178.99780	9.0
183.06487	2.2
186.93420	1.3
191.03415	3.2
193.01343	4.5
203.03435	1.2
211.02477	6.4
212.36108	1.4
215.03423	1.3
224.26843	1.4
227.03510	3.4
241.03474	1.8
243.02924	4.8
255.02878	3.7
271.02399	38.0
271.04575	2.1
272.02957	2.7
273.04083	1.7
285.03906	6.3
299.01947	26.5
300.02747	31.6
301.03506	62.6
301.06949	3.0
302.03830	5.0
313.05676	31.1
342.04834	1.5
343.04428	2.4
397.42612	1.5
421.08109	1.9
447.09299	5.4
465.06860	10.1
493.06430	1.7
562.33948	1.4
573.32190	1.6
609.14575	1.7
614.09381	3.4
615.09918	56.2
616.10107	8.7
761.15668	100.0
762.16144	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13611	1.7
56.82876	1.7
59.01236	9.2
60.97117	1.5
61.98700	3.9
70.37022	1.8
71.01242	4.5
71.13982	3.9
78.95766	2.1
81.03354	1.7
89.02337	2.7
101.02294	2.8
111.08047	2.0
124.79315	1.7
125.02374	2.7
125.09583	2.0
169.12236	1.7
170.42863	1.6
171.10193	100.0
172.10532	3.6
197.11781	13.6
201.11276	2.2
209.11812	16.3
210.12129	4.7
227.12906	3.0
235.08188	6.3
253.09375	11.8
283.25571	1.7
291.19662	14.2
295.22794	9.2
309.20706	33.0
310.20987	3.8
311.22302	4.3
312.22748	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	759.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64620	12.4
56.42907	11.3
59.50287	13.3
68.66772	18.2
71.01249	20.5
74.37225	16.1
78.95761	35.9
96.59507	12.4
149.74216	14.3
152.99506	27.1
183.88951	14.3
209.11786	100.0
227.12898	23.2
277.21783	42.6
314.75183	14.3
338.21820	13.8
515.55426	16.7
759.41522	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	759.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78445	11.7
58.89511	11.6
59.01237	15.6
59.99394	12.9
71.01260	78.7
78.95774	43.1
91.05155	15.9
109.78852	14.4
111.42970	12.8
125.02360	14.5
128.11520	12.6
171.10193	43.8
176.07869	13.1
188.39886	17.1
209.11812	49.8
225.11324	18.3
227.12660	65.0
237.43695	13.1
277.21677	100.0
279.23340	69.6
454.23917	16.6
463.21860	20.9
554.59161	14.9
601.87799	16.8
667.01709	16.1
671.87439	16.4
692.86505	16.3
723.43890	24.6
741.43774	20.5
759.41650	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66639	11.9
59.01252	15.7
61.98693	21.5
70.16032	51.1
70.84802	12.3
78.95787	100.0
95.00974	10.9
99.86470	12.3
152.99490	41.7
165.29337	14.6
168.14297	13.3
211.13396	57.1
215.29478	11.5
293.21368	59.4
447.21594	15.7
759.43304	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	5.3
59.01251	22.5
61.98702	3.0
65.00182	3.3
69.77107	15.8
71.01250	19.9
72.99184	3.0
75.00754	4.9
81.03329	3.1
82.28687	2.4
83.04887	4.2
85.02818	15.6
87.00734	4.2
89.02326	5.1
96.95892	4.9
99.00768	6.0
101.02326	5.4
103.00249	3.4
109.02833	7.2
113.02341	21.9
123.00756	6.0
123.04367	4.2
125.02348	20.7
125.09590	5.3
137.02333	7.4
150.03154	4.2
151.00284	4.2
151.03937	3.8
152.01096	2.6
160.01567	2.7
163.00310	7.2
165.05486	3.1
165.09155	3.1
166.02756	3.9
167.03430	3.9
169.01321	7.6
171.10254	3.9
174.91685	2.6
175.02444	4.3
197.05949	2.5
199.03961	6.3
201.11305	15.1
209.08150	9.5
209.11771	100.0
210.12143	4.1
215.96681	2.6
217.74683	2.7
225.14977	16.1
227.12859	19.6
235.08255	5.5
239.03546	3.9
241.05173	2.9
253.05069	2.6
253.09221	10.1
255.02994	7.2
269.04507	9.1
285.04010	9.3
285.07526	2.9
295.02469	2.7
297.04028	36.0
298.04187	3.1
417.15527	4.6
429.05963	3.8
430.06873	4.7
445.20801	12.9
583.12494	42.4
584.12738	11.3
715.34351	5.2
759.35181	24.8
760.35187	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	759.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.3
59.01251	3.0
65.00190	0.9
71.01255	2.8
71.58745	0.8
71.59115	0.9
72.17612	0.8
81.03315	3.9
83.01256	1.9
85.02820	2.0
94.07007	0.8
95.01266	1.9
97.02827	2.1
99.00745	5.1
101.05988	2.7
109.02788	1.4
111.00750	4.4
113.02323	1.7
121.02807	0.8
123.00767	3.9
123.08055	1.8
125.02353	11.1
125.05952	3.4
135.04372	1.9
136.05193	1.3
137.02354	2.7
139.00264	10.9
139.03868	0.8
140.01068	5.6
141.01843	64.6
142.02139	2.5
151.00243	1.5
157.29021	0.9
165.01927	1.0
165.05466	1.3
165.09137	17.3
165.99023	1.0
166.09462	1.0
168.00583	5.9
169.01241	1.3
177.01930	4.1
179.07030	4.0
181.04912	2.3
183.02901	1.7
191.07137	1.6
193.04959	0.8
195.02853	1.0
195.06575	1.8
207.06541	1.6
209.08142	100.0
210.08464	6.6
211.08862	1.2
223.06084	1.2
224.06859	19.0
225.05458	2.2
225.07639	28.9
226.07941	2.2
230.93367	1.0
241.99838	1.0
247.90619	0.9
251.09190	1.3
285.06189	11.0
303.07251	23.9
304.07568	1.3
334.57306	0.8
352.43765	0.9
371.13449	9.5
372.13672	0.9
387.12955	48.8
388.13068	4.2
490.98944	0.9
563.07764	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35460	1.5
57.63599	1.4
59.01246	3.5
65.00217	1.4
69.39526	14.3
69.95895	1.3
82.23788	1.5
95.69059	1.4
96.52938	1.4
103.42027	1.4
107.01244	2.7
125.02318	1.5
135.00832	1.5
148.01471	1.8
151.00262	13.3
165.01813	1.6
169.01299	2.4
178.99771	5.7
209.69551	1.4
227.03403	3.7
243.02940	7.3
254.02147	2.3
255.02957	24.0
256.03314	2.7
271.02481	51.6
272.02911	4.1
300.02719	84.8
301.03482	43.9
302.03793	3.2
304.77554	1.5
463.08823	100.0
464.08963	9.5
526.10193	1.6
573.53265	1.9
588.45837	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	14.7
65.00220	1.0
66.60271	1.0
68.98755	0.8
69.62479	6.3
69.62907	1.1
70.88508	0.9
71.01247	1.5
83.01288	1.0
85.02812	1.5
87.00760	0.9
98.20518	1.7
107.01278	2.2
108.02065	1.8
109.02861	2.5
116.57481	0.9
119.04932	1.4
121.02826	3.8
125.02361	2.2
133.02847	0.9
135.04387	1.3
137.02286	1.7
148.01656	0.8
149.02364	1.3
150.03128	3.9
150.75670	1.0
151.00293	10.3
151.01410	1.6
157.60049	1.1
163.00291	3.4
163.03981	1.0
164.01044	1.0
164.04684	1.3
165.01813	1.1
165.05482	2.2
169.01321	2.6
175.03928	1.0
176.20331	0.9
177.05525	0.9
177.09117	3.8
178.99759	7.3
184.72510	0.9
195.06546	2.8
199.03949	0.9
211.03867	1.6
221.08075	1.3
226.02760	1.1
227.03331	1.8
240.04190	1.3
243.02956	6.4
245.04443	1.9
248.38281	0.8
254.02205	2.0
255.02985	18.4
255.06821	1.6
259.82983	0.8
270.08853	1.8
271.02478	32.6
271.09705	1.2
272.03006	3.7
273.04184	1.7
283.02359	1.8
300.02750	71.5
301.03491	68.7
301.10690	1.2
302.03827	6.0
329.13644	1.3
433.07733	100.0
434.08167	10.2
465.04526	1.6
477.18839	1.8
479.59534	1.1
525.20874	2.4
759.20929	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.2
59.01249	3.2
69.03323	1.2
71.01254	3.8
71.59939	1.8
71.60306	1.2
81.03324	1.4
85.02825	3.4
93.03354	1.5
97.02843	2.5
99.00746	6.4
101.02322	1.5
101.05953	1.3
107.21165	1.1
111.00788	3.4
113.02383	1.2
123.00771	5.9
123.08018	1.1
125.02341	5.1
125.05960	1.3
126.23697	1.0
137.02373	2.3
139.00258	8.2
140.01074	6.1
141.01842	100.0
142.02190	2.4
149.02344	1.2
151.00301	1.3
151.86153	1.0
153.01831	1.6
165.01840	2.1
165.09108	7.1
167.03374	2.2
168.00537	6.2
175.02426	1.1
177.01764	1.3
179.07092	4.7
181.01286	1.0
195.06561	1.8
199.06862	1.0
207.06569	2.5
209.08136	34.0
210.08504	3.5
223.06079	1.8
224.06859	19.9
225.07645	38.7
226.08058	1.3
285.06152	4.0
289.10785	1.0
303.07220	48.8
304.07648	2.5
314.15515	1.0
371.13455	3.7
387.12985	45.2
388.13275	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	759.142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	8.4
59.01248	27.4
65.00191	6.7
70.05696	10.7
70.06100	5.3
71.01257	11.1
72.99169	3.1
75.00758	5.3
78.75156	3.0
83.01246	6.4
85.02832	11.8
87.00742	6.3
89.02342	3.6
96.95921	8.2
100.77397	3.2
107.01284	10.1
109.02840	5.9
109.96062	3.1
113.02321	5.0
119.04910	8.7
124.01530	5.1
125.02338	46.6
126.46651	3.0
129.01735	3.3
135.04398	3.7
137.02324	12.0
137.57635	3.0
149.00897	2.8
149.02344	7.5
150.03017	4.3
151.00264	34.5
152.01003	8.9
153.01743	3.2
160.01523	3.0
161.02347	11.5
161.04559	3.2
163.00285	3.0
163.03947	7.4
165.01837	5.9
165.05508	3.5
167.03392	4.6
169.01421	14.7
175.03886	9.0
176.01085	4.9
177.01849	9.0
177.05475	3.9
178.99792	34.9
193.01308	8.1
199.74348	3.3
201.05588	4.8
201.21973	2.8
205.01389	5.9
209.08122	8.1
210.08452	4.2
225.05566	3.1
227.03470	5.6
241.04942	3.5
241.08698	4.4
243.02989	7.5
255.02986	4.4
267.06708	5.2
268.07278	4.3
269.04660	3.8
269.08182	4.2
287.05652	7.8
293.04520	3.5
301.03622	4.0
337.03433	3.1
351.05167	14.0
362.04449	8.1
363.05188	4.1
379.04590	27.3
380.05127	11.3
403.08011	11.1
407.03595	3.3
412.04193	3.3
420.08823	4.9
421.09149	9.7
423.07126	4.2
431.07864	12.0
448.07932	13.6
449.08783	86.2
449.15070	4.1
450.09186	9.7
457.13480	5.2
493.07697	35.5
494.07690	3.3
511.09280	6.0
553.09985	28.3
554.10339	4.1
588.58331	3.5
611.14093	100.0
612.14343	16.8
652.28448	3.2
655.12701	19.4
656.14093	5.2
715.14709	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75803	1.2
57.03317	6.5
65.00184	1.1
69.03324	1.4
69.50121	2.5
69.50523	8.9
81.03329	2.4
83.01250	2.9
93.03315	1.4
95.01279	2.5
97.02836	1.9
102.92250	1.2
105.03375	2.7
107.04871	1.3
109.02830	14.1
111.04353	1.7
119.01274	2.0
119.04918	1.5
121.02817	4.3
121.83768	1.1
123.00762	5.4
123.04424	1.1
124.01560	3.2
125.02345	95.4
126.02659	2.3
131.04912	1.5
132.02072	1.3
133.02852	2.0
135.00784	3.3
135.04445	2.7
137.02347	29.7
138.03122	2.8
139.03914	9.2
145.02834	1.9
147.00790	15.9
147.04388	2.3
148.01704	1.3
149.02362	14.2
151.00243	2.8
151.03900	5.1
157.06477	1.3
159.04477	2.7
161.02359	19.8
162.02756	1.3
163.00282	38.4
163.03917	4.1
164.01096	11.6
165.01852	17.6
166.02597	5.6
167.03455	9.6
169.01360	22.8
171.04463	1.9
173.02324	1.4
173.05986	1.8
174.03204	1.6
175.00308	34.1
175.03854	7.9
176.01071	9.0
177.01859	41.6
177.05467	2.6
178.02362	3.0
179.03403	6.2
183.04277	1.3
185.02386	1.5
185.06020	1.7
187.03946	6.0
189.01917	6.0
189.05444	2.5
190.02611	3.8
191.03442	24.2
192.03697	1.4
193.01324	4.8
197.05954	1.2
198.03056	1.9
199.03914	6.6
201.01828	6.4
201.05484	4.2
202.02592	1.7
202.99751	2.6
203.03435	4.0
204.00540	3.1
205.01350	5.3
205.04948	2.8
211.04015	5.5
212.04565	2.0
213.01918	1.7
213.05490	1.9
214.02574	2.4
215.03477	16.4
217.01489	6.5
217.04974	3.7
219.02974	7.3
219.06573	3.5
221.04515	3.6
222.86874	1.2
225.05556	1.4
227.03481	9.3
228.04128	2.4
229.01389	15.3
229.04999	4.8
230.01917	1.7
231.03008	3.1
231.06654	2.3
233.04530	11.0
239.03467	1.7
240.04187	1.3
241.04930	3.3
243.02977	13.0
245.04521	4.3
253.05159	1.7
255.02991	13.2
256.03882	2.8
257.04578	13.1
258.04846	1.2
259.02451	2.5
259.06067	2.8
261.04010	4.0
267.02844	2.7
269.04575	11.7
271.02460	3.1
272.03232	1.7
273.03952	4.2
279.03192	1.2
281.04437	1.3
283.02512	9.9
284.02841	2.4
285.04022	7.3
286.04654	1.5
287.02121	2.6
287.05569	10.5
288.02811	2.4
289.03403	2.1
295.02472	2.2
297.04099	2.8
299.01917	3.4
299.05615	3.4
300.02817	5.6
301.03525	100.0
302.00934	1.3
302.03867	7.5
303.05133	2.7
304.05576	1.6
305.06653	31.9
306.06866	2.9
313.03583	8.0
319.04681	8.4
323.05511	7.2
324.02548	2.1
325.03580	4.1
341.02725	2.2
343.04556	9.8
387.05573	1.6
391.04456	4.6
395.07773	1.8
403.04550	3.5
405.06204	5.6
423.07153	14.8
424.07303	1.7
427.06680	34.8
428.06845	3.8
431.03754	2.5
432.04852	1.3
433.06131	2.7
437.04816	2.0
439.06674	33.2
440.07056	5.1
445.05469	3.0
450.05676	3.0
451.06708	4.7
457.07770	2.2
463.06888	11.9
468.06870	11.9
469.07693	21.1
481.00613	1.5
481.07727	29.7
482.07953	3.7
485.08231	1.4
545.10791	1.3
553.08130	1.4
571.08746	15.6
589.09827	15.8
590.10522	2.4
607.10931	60.9
608.11523	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	759.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	10.4
59.01251	5.4
65.00220	1.9
69.03342	2.6
71.01263	5.4
73.02865	1.8
75.00751	2.6
81.03334	3.3
83.01258	5.3
85.02827	5.1
85.96392	1.6
87.00755	2.5
93.03318	4.0
95.01255	4.2
97.02861	2.4
98.20617	2.2
99.00723	2.9
103.00292	1.8
105.03374	2.2
107.01270	2.2
109.02836	11.3
113.02336	7.2
115.21130	1.5
119.01202	1.9
119.04937	5.0
121.02863	8.1
123.00748	7.8
123.04425	4.6
124.01576	4.0
125.02341	100.0
126.02666	3.6
133.02788	2.2
135.04404	3.5
137.02348	26.5
138.03114	1.9
139.03902	7.0
145.02858	2.7
147.00807	6.0
149.02316	10.0
151.00250	2.0
151.03883	5.3
159.04434	2.9
161.02397	15.1
163.00272	27.1
163.03906	3.9
164.01025	6.9
165.01840	13.2
165.05449	4.1
166.02640	4.1
167.03404	16.9
169.01341	37.2
171.23808	1.6
175.00291	23.4
175.03954	5.7
176.01025	6.0
177.01877	38.1
177.05400	2.1
178.02266	2.3
179.03415	7.6
181.05060	2.6
185.02260	2.1
187.03931	4.3
189.01839	4.1
189.05586	2.3
190.02592	2.0
191.01918	2.8
191.03435	20.2
193.01317	7.0
193.04993	2.7
199.03922	5.1
201.01859	4.8
201.05461	3.4
202.02475	2.1
203.03438	3.9
205.04910	2.0
209.04443	3.7
211.03964	3.4
213.05327	1.8
214.02586	2.1
215.03476	10.3
217.01366	4.8
217.04893	2.4
219.02974	5.7
219.06589	2.0
221.04413	3.1
225.05453	2.6
227.03465	6.6
228.04155	1.8
229.01443	12.2
229.05014	2.7
231.02997	3.1
233.04584	7.4
241.04979	3.9
243.03011	11.1
245.04465	3.8
249.05913	3.1
255.02966	8.5
256.03833	2.8
257.04507	7.6
259.06064	3.3
261.04059	5.2
267.03006	2.0
269.04535	7.8
271.02475	2.5
272.03293	2.9
273.04056	3.4
283.02432	8.2
285.04114	6.2
287.05624	5.7
299.02164	3.3
299.05438	2.0
300.02777	4.7
301.03546	68.8
302.03909	6.4
305.06674	22.4
306.06989	2.3
313.03638	5.3
319.04599	8.9
323.05524	2.6
325.03543	4.2
343.04517	6.5
371.09891	4.4
372.10059	3.3
373.10422	2.2
391.04501	3.4
403.04865	2.6
405.06094	4.7
423.07138	10.1
427.06586	26.8
428.07489	2.5
439.06686	20.3
439.18289	15.0
440.07272	3.6
450.05908	3.6
451.06802	4.8
457.07858	2.6
463.06528	7.6
464.07498	1.8
467.06000	2.4
468.06824	6.8
469.07779	13.4
481.07846	23.1
482.08038	3.3
519.15070	18.6
549.16315	14.4
571.08661	9.6
579.17285	3.6
589.09729	6.1
607.11023	40.5
608.11017	8.2
621.17798	2.3
639.19165	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	759.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68202	3.9
57.03315	10.7
59.01249	14.2
69.03330	4.5
69.46770	7.3
69.47185	31.7
70.28812	4.2
71.01228	6.7
72.99187	4.4
83.01244	6.7
85.02822	11.5
87.00759	6.2
93.03321	7.7
95.01263	9.6
99.00758	5.0
108.02046	5.3
109.02885	21.9
111.00743	27.1
113.02296	5.1
117.03362	4.3
119.04921	10.7
121.02853	5.9
123.00774	23.8
123.04440	11.1
124.55864	5.3
125.02336	100.0
133.02794	5.0
134.03670	5.4
135.00748	5.8
135.04419	6.6
137.02344	38.9
139.00288	30.4
139.03758	4.7
145.02867	8.6
147.00763	11.3
148.09521	4.3
149.02304	24.3
151.00267	8.6
151.03941	14.2
153.01843	15.2
159.04399	6.6
161.02371	20.5
161.06111	4.7
163.00273	43.0
163.03889	12.4
164.00925	8.7
165.01863	15.6
166.99788	27.7
167.03392	7.1
169.01326	32.2
173.05969	5.5
175.00288	27.5
175.03960	8.7
176.01056	4.8
177.01828	44.5
178.99756	10.4
179.03368	7.2
181.01416	6.1
185.00861	23.3
185.05933	4.5
187.03947	13.7
189.01778	7.8
190.02592	6.2
190.99692	10.5
191.03445	22.3
199.03998	7.4
201.01820	6.5
201.05521	8.7
202.02496	5.1
203.03380	7.5
203.07033	5.4
205.05043	6.5
214.02545	5.9
215.03406	10.3
217.01321	9.0
219.03073	5.8
225.05579	5.5
227.03465	12.1
228.04189	4.7
229.05147	7.1
231.02942	4.9
233.04648	5.6
243.02966	22.1
245.08191	5.7
250.23404	4.3
255.02936	16.5
257.04587	8.2
259.02338	7.5
269.04376	5.2
271.02350	12.7
271.06000	9.7
272.02951	5.8
273.03833	6.0
285.03943	6.3
287.05627	5.4
289.07196	36.4
299.01971	6.2
300.02634	16.3
301.03522	78.1
302.03986	9.9
303.05240	7.4
313.03409	5.9
317.02997	45.8
327.04971	6.9
341.03113	7.6
357.06122	4.6
405.06070	6.4
407.07715	12.3
423.07159	12.1
427.06537	9.2
439.06699	8.1
452.07510	5.6
453.08408	8.3
455.06107	23.7
463.06738	12.0
465.08212	12.7
468.06842	5.8
469.07483	6.5
481.07507	8.0
571.07935	10.5
589.09900	38.2
590.09540	7.7
591.11694	8.3
607.11121	34.1
607.20221	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	757.466
Annotation	Unknow
Peak:m/z	Relative Intensity
67.08656	2.0
67.45678	1.8
76.34127	1.7
78.95778	36.6
98.19668	2.8
152.99486	42.9
171.00568	6.3
195.13863	10.0
223.13312	5.3
227.03197	4.7
245.99672	2.1
253.21696	30.1
261.99976	1.7
274.33655	1.9
275.20105	4.1
293.21240	44.5
294.21561	3.1
351.25473	3.8
397.23126	2.0
429.20486	4.0
521.25183	100.0
522.25366	14.5
757.46466	41.6
758.46466	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	757.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00198	1.3
57.03283	0.9
59.01253	15.4
69.03365	1.0
71.01256	92.0
72.01589	1.8
73.02820	2.5
78.95775	5.8
83.04901	1.7
85.02833	1.9
87.00749	1.2
88.98672	2.3
89.02316	4.6
97.02827	1.9
98.04669	1.1
98.20553	2.2
99.00746	1.5
101.02304	6.9
104.97901	1.0
109.06488	8.2
113.02316	4.0
125.09628	4.3
127.11184	3.8
135.08064	1.2
135.38885	0.9
135.61292	0.8
137.09584	1.6
152.99545	3.1
155.10703	2.3
161.04457	3.5
163.11212	4.5
171.10184	100.0
172.09113	0.9
172.10510	5.0
181.08727	1.3
181.12256	2.8
199.09708	21.7
199.13358	3.3
201.09523	2.1
201.11264	24.6
202.11586	1.4
205.59932	1.3
207.10194	25.7
208.10582	2.0
209.11719	2.0
225.11281	20.9
229.28793	1.5
235.08147	1.6
243.12387	3.8
253.09285	13.7
254.09735	1.4
277.21729	76.6
278.22049	8.9
435.18652	3.6
437.19772	1.3
461.20276	7.2
549.24530	1.4
613.00928	1.2
721.41211	3.1
722.42072	1.6
739.42664	3.4
757.43646	17.6
758.43872	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	757.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00198	1.3
57.03283	0.9
59.01253	15.4
69.03365	1.0
71.01256	92.0
72.01589	1.8
73.02820	2.5
78.95775	5.8
83.04901	1.7
85.02833	1.9
87.00749	1.2
88.98672	2.3
89.02316	4.6
97.02827	1.9
98.04669	1.1
98.20553	2.2
99.00746	1.5
101.02304	6.9
104.97901	1.0
109.06488	8.2
113.02316	4.0
125.09628	4.3
127.11184	3.8
135.08064	1.2
135.38885	0.9
135.61292	0.8
137.09584	1.6
152.99545	3.1
155.10703	2.3
161.04457	3.5
163.11212	4.5
171.10184	100.0
172.09113	0.9
172.10510	5.0
181.08727	1.3
181.12256	2.8
199.09708	21.7
199.13358	3.3
201.09523	2.1
201.11264	24.6
202.11586	1.4
205.59932	1.3
207.10194	25.7
208.10582	2.0
209.11719	2.0
225.11281	20.9
229.28793	1.5
235.08147	1.6
243.12387	3.8
253.09285	13.7
254.09735	1.4
277.21729	76.6
278.22049	8.9
435.18652	3.6
437.19772	1.3
461.20276	7.2
549.24530	1.4
613.00928	1.2
721.41211	3.1
722.42072	1.6
739.42664	3.4
757.43646	17.6
758.43872	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	757.438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	9.3
60.99184	3.7
61.98680	1.5
69.03333	0.9
71.01256	96.9
72.01616	1.4
73.02830	1.6
78.12264	1.0
78.93011	0.9
78.95779	11.0
85.02845	2.1
87.00713	1.7
88.98680	13.4
89.02302	3.6
99.00755	1.9
101.02315	2.9
109.06481	2.2
113.02337	2.5
116.04211	1.0
125.09612	2.6
127.11188	1.4
137.09668	1.3
145.18677	1.0
152.99516	4.2
161.04555	1.4
163.11221	1.9
169.66132	1.0
171.10190	51.4
172.10516	2.7
181.12303	2.1
183.21477	1.0
197.11781	2.0
199.09631	5.3
201.11311	7.8
207.10213	9.6
225.11273	5.9
235.08249	4.9
253.09308	8.8
277.21732	100.0
278.22086	11.6
287.71255	1.1
311.22421	1.5
445.19601	2.0
447.21524	2.5
559.22083	1.2
721.41211	1.4
757.43463	12.7
758.43304	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00173	1.1
58.00495	0.7
59.01249	9.7
59.20589	0.7
69.70105	0.7
70.10992	3.9
71.01252	100.0
72.01597	1.1
73.02816	1.3
78.36025	0.7
78.95771	8.0
81.03367	0.7
83.04886	0.7
85.02825	1.3
89.02309	2.7
97.02811	1.0
101.02335	2.6
109.06469	3.1
113.02322	2.1
125.09625	2.2
127.11196	2.7
145.04942	0.8
152.99496	4.3
153.09114	0.9
160.61938	0.8
161.04501	1.9
163.11176	2.3
171.10179	66.2
172.10521	2.4
197.11861	1.7
199.09673	8.3
199.13292	2.5
201.11250	10.7
207.10184	8.0
211.13437	1.0
225.11217	8.6
235.08205	3.7
243.12427	1.4
246.74950	0.8
253.09247	8.4
277.21710	87.3
278.22098	7.2
311.22470	1.2
395.68991	0.7
445.19836	1.5
447.21625	1.8
461.20313	2.3
577.81433	0.9
721.42145	2.5
739.42133	1.3
739.95514	1.0
757.43518	10.4
758.43469	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	757.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	31.1
61.98701	3.3
64.18710	1.7
71.01260	7.8
76.85612	2.0
78.95777	22.5
85.02835	3.1
87.00758	4.2
89.02318	5.3
96.96859	3.0
97.02868	3.5
97.06451	2.4
99.00767	5.9
101.02322	6.0
125.02339	2.1
125.09584	5.0
127.07495	1.9
152.99509	12.0
153.76546	2.4
155.10782	2.4
163.11156	5.9
165.09085	2.3
169.01314	2.5
171.10188	2.9
181.12286	6.2
197.11719	3.0
199.09608	2.3
199.13409	5.6
201.11284	40.6
207.10184	9.3
209.11731	3.1
211.13289	3.3
225.11252	17.9
229.54134	2.6
235.08195	7.5
241.96461	2.3
253.09233	8.8
277.21725	94.2
278.22092	6.6
293.21283	3.9
295.22681	2.2
309.20642	2.8
447.21387	4.5
461.19705	2.9
525.04053	2.2
721.41956	4.2
739.42603	11.4
740.42175	3.1
757.43683	100.0
758.44122	24.4
777.36584	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	757.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	2.2
59.01251	37.7
61.98683	2.5
68.39790	1.8
71.01250	7.1
71.59151	2.4
72.64046	1.7
76.82681	1.8
78.95787	19.0
80.98458	1.6
85.02792	2.1
87.00755	2.0
89.02326	2.3
90.41156	1.6
97.02834	2.2
99.00745	4.8
101.02344	4.1
113.02346	3.1
125.02320	1.8
125.09586	4.0
127.11192	5.5
137.82286	1.8
138.87724	1.5
142.80608	1.7
143.56310	1.7
152.99477	9.5
153.98689	1.7
155.10670	2.8
163.11198	3.9
165.09166	1.8
171.10164	5.4
181.12213	5.5
197.11766	2.8
199.09804	1.9
199.13295	12.2
201.11255	80.0
202.11615	4.4
206.99583	1.6
207.10188	11.8
209.11859	3.4
211.13326	3.9
217.14413	3.2
225.11293	26.0
243.12325	8.9
253.09293	8.8
277.21774	42.9
278.22028	4.0
290.49319	1.8
293.21204	5.7
429.21481	2.2
447.21503	3.5
461.20007	8.2
497.22861	2.1
721.41687	4.7
739.42700	12.4
740.43481	2.5
757.43781	100.0
758.44104	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	757.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	12.7
71.01250	26.1
71.59246	9.0
72.01577	6.8
75.00753	100.0
77.81713	7.2
78.95784	87.7
80.96453	6.8
87.46970	7.4
89.02330	10.2
144.53339	7.8
152.99538	40.2
171.10147	12.8
201.11266	9.9
207.10376	10.4
208.10457	9.6
209.11868	18.4
225.11241	24.6
277.21832	17.0
291.19754	9.4
293.21295	25.9
293.24695	13.9
294.21613	10.9
295.22485	15.0
397.13641	10.3
401.33914	8.4
445.19803	8.4
447.21515	8.9
449.07983	7.6
474.03555	7.5
757.43304	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	5.2
58.61409	5.0
59.01249	32.6
61.98693	31.2
65.73557	4.8
66.94966	5.2
70.98794	4.5
71.01250	12.8
71.60144	7.2
72.02795	5.0
77.56783	5.3
78.46277	5.4
78.95776	12.5
83.04910	10.0
85.02818	6.9
93.85556	6.1
96.95895	59.6
98.95475	15.7
101.02312	9.3
113.02356	8.0
125.02326	37.6
133.77945	5.0
135.71785	5.2
143.61226	4.6
163.11113	7.2
169.01337	17.3
169.12221	7.8
171.10202	9.2
197.11731	22.4
209.11761	100.0
210.12073	41.4
211.13477	50.6
227.12804	12.1
228.13229	6.2
253.09286	16.3
266.05548	5.8
291.19705	8.4
309.20697	15.4
310.21017	16.1
311.21240	10.6
327.21722	17.2
366.38309	5.8
447.22141	7.4
539.37244	5.6
545.57349	5.9
547.49109	5.4
654.71954	6.6
757.39337	17.8
758.40826	5.8
771.26599	5.9
771.80469	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	757.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
62.84259	9.5
71.01260	13.7
71.39297	25.6
78.95783	100.0
96.90501	11.0
96.96851	17.2
98.06737	10.6
99.19600	9.7
134.49222	9.4
152.99513	56.0
207.10344	10.7
209.11803	26.8
225.11302	32.9
277.21735	26.0
291.19604	14.8
293.21167	29.8
293.24976	28.2
295.22745	13.4
430.56204	11.1
445.20029	15.8
708.34033	11.4
721.41522	19.5
757.40723	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	757.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00427	2.7
58.03022	3.1
59.01252	50.1
61.98717	4.9
66.59701	2.5
69.03337	3.0
71.01250	53.6
71.01611	4.0
71.58028	5.3
72.99197	4.6
73.02833	8.0
74.99303	3.1
80.91550	34.4
81.03339	3.5
82.95275	22.0
83.01274	4.7
85.02829	11.3
87.00761	10.9
89.02316	29.4
95.01261	4.3
97.02855	9.4
99.00790	2.8
101.00832	5.6
101.02331	28.4
102.98733	5.1
103.00227	3.0
113.00864	2.9
113.02327	18.3
113.09518	3.3
113.36463	2.4
119.03396	7.9
125.02315	18.4
131.03455	2.6
141.01617	8.4
143.03418	6.5
151.11244	8.3
153.01662	5.0
155.03212	2.8
161.04451	8.1
165.01628	3.7
167.03172	3.0
169.01344	2.6
169.12259	18.4
171.10155	21.2
179.05630	4.8
183.13855	5.5
197.11856	5.1
201.11281	7.5
207.10156	3.3
209.08214	6.6
209.11766	30.7
210.11990	2.4
211.13411	5.7
213.11182	4.5
225.11345	7.3
227.12817	7.4
235.08218	10.5
243.04765	11.9
245.19052	2.9
253.09285	16.6
275.06750	2.8
277.18716	2.9
277.21716	80.4
278.22092	5.5
287.07648	3.6
289.18115	6.1
293.21219	19.4
294.21414	4.2
295.22696	10.2
297.06073	3.7
305.08966	2.9
307.19290	6.2
309.20709	2.7
311.22217	6.9
345.06937	3.8
359.22006	37.1
385.50317	2.6
397.13495	100.0
398.13705	6.0
400.73813	2.5
415.14526	22.7
419.11462	26.2
420.11728	3.9
437.12665	48.7
438.12451	3.0
455.86163	2.7
458.82031	3.1
697.33057	27.8
698.33734	6.2
700.98700	3.3
757.42371	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	757.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28936	0.5
55.12001	0.6
57.03302	0.8
59.01256	2.8
60.45486	0.5
65.00188	1.8
70.91089	0.9
70.91409	0.8
71.01247	2.0
75.00771	0.5
81.03333	3.9
83.01255	1.3
84.13680	0.5
85.02802	1.7
87.83449	0.6
93.03337	0.9
97.02795	1.1
98.53138	0.6
99.00766	1.1
99.08013	1.0
101.02297	0.8
101.05933	0.7
107.01260	0.7
108.02100	0.5
109.02839	1.0
110.18013	0.5
111.00775	4.3
113.02351	0.9
118.10495	0.5
119.04867	0.6
121.02845	0.8
122.03661	0.6
123.04404	1.0
123.08073	4.4
124.01630	0.6
125.02336	6.7
125.05973	7.5
136.05212	0.8
136.98674	0.7
137.02374	1.1
138.03091	0.6
138.95467	0.5
139.00281	1.4
139.03868	0.6
149.02367	1.6
151.00346	0.7
151.07530	1.3
152.01048	1.8
165.09123	32.4
166.02696	0.8
166.09477	1.6
167.07091	0.9
177.05521	2.4
179.07054	2.1
179.10684	2.0
189.91165	0.6
191.07069	2.4
193.08665	0.9
195.06569	27.0
196.06911	1.4
205.08629	0.8
207.06636	1.0
208.07352	0.8
209.08142	100.0
210.08521	5.3
215.07098	1.3
221.08092	0.9
222.05222	0.6
223.06099	40.3
223.09503	8.3
224.06456	1.4
225.07623	2.1
233.08148	26.3
234.08427	1.8
236.06860	1.7
237.07733	4.7
251.09241	10.7
253.13387	0.7
255.71394	0.7
263.09241	3.0
265.07159	2.2
278.36520	0.5
299.18628	1.2
311.11603	1.0
327.76605	0.5
367.10303	1.1
371.13458	46.2
372.13855	3.4
385.11374	33.1
386.11832	4.0
469.57858	0.7
622.17786	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.256
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38400	0.7
56.75826	0.8
57.03326	1.0
59.01250	3.2
65.00210	1.6
69.63184	2.7
69.63610	3.6
71.01248	1.8
73.81514	0.8
74.85966	0.8
81.03335	4.7
83.01271	2.2
85.02828	1.4
87.00743	1.1
93.03351	0.9
97.02834	0.9
98.19794	1.7
98.20383	1.9
99.08034	1.1
101.02314	0.9
103.89512	1.0
111.00762	4.6
121.02844	1.0
123.08040	3.2
125.02350	7.6
125.05984	7.9
136.05234	1.0
139.00247	2.9
149.02377	1.0
151.07584	1.3
152.01031	1.4
161.04486	0.9
161.06001	1.0
165.07726	1.9
165.09129	32.4
166.09427	1.0
166.99995	1.0
174.80818	1.0
177.05504	3.7
179.07004	2.4
179.10664	2.4
182.89990	0.8
191.07104	1.5
193.08749	1.5
195.06569	31.4
196.06967	1.1
209.08136	100.0
210.08440	5.5
215.06992	1.1
221.08173	0.8
222.05200	0.7
223.06088	48.3
223.09489	10.6
224.06380	2.1
225.07716	2.7
233.08156	28.5
234.08585	2.0
236.06877	0.9
237.07593	6.8
240.71126	0.9
251.09261	10.5
263.09265	3.6
265.07248	1.9
269.93533	0.8
299.18805	1.4
341.19577	1.1
371.13464	44.9
372.13943	3.8
385.11371	35.2
386.12012	3.2
606.56763	0.8
664.60553	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70815	2.1
57.03362	2.2
59.01257	16.2
61.98681	3.0
71.01260	18.0
73.02825	3.9
80.91559	6.0
82.95284	7.8
83.04915	2.8
85.02825	9.5
87.00719	5.6
88.98682	4.7
89.02298	5.2
93.03345	3.9
93.97938	2.4
95.04933	3.3
97.06433	3.0
98.19827	5.2
101.02319	13.2
111.08046	5.6
113.02327	4.9
119.04928	18.7
120.11884	2.4
125.02351	5.4
125.09632	9.5
161.04510	2.6
163.11320	2.9
165.12761	4.2
169.01343	2.2
169.12303	5.3
171.10196	17.0
172.10550	3.4
181.12314	3.0
183.13846	46.7
184.14172	15.1
197.11755	21.3
198.12146	6.7
199.13339	6.2
201.11220	2.9
207.10281	4.8
209.11795	23.1
210.12076	9.6
211.13300	8.8
212.14233	6.4
225.11293	10.5
227.12827	13.8
229.35199	2.8
230.13298	3.3
230.15483	39.9
235.08147	7.1
253.09258	13.5
254.09784	2.9
277.21704	7.1
291.19641	6.2
292.19974	5.2
293.21240	17.3
294.21674	4.2
307.19025	2.8
309.20743	16.3
310.20895	10.3
311.22006	2.8
338.24799	6.6
356.25961	11.1
364.22754	4.1
382.23898	22.0
383.24481	2.8
397.13620	2.7
400.25098	13.0
418.25967	3.6
432.03690	2.4
464.22141	3.2
520.30756	24.7
521.31274	2.9
538.31488	16.0
755.42670	3.1
756.40973	100.0
757.40607	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	756.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34672	1.6
57.03316	2.5
59.01254	12.5
60.99170	2.8
61.98713	2.5
66.32024	1.7
71.01247	16.1
71.58440	1.7
72.99152	4.9
73.02808	2.8
75.00759	2.0
76.21941	2.0
78.95781	3.3
80.91564	3.1
83.01259	2.8
83.72015	1.6
85.02810	5.7
87.00743	5.4
88.98679	24.8
89.02313	9.4
93.03330	4.1
97.02823	3.0
97.06487	3.4
101.02322	7.4
104.35328	1.7
106.06515	1.8
106.73656	1.7
113.02313	8.8
113.44108	1.5
119.04920	28.6
125.02289	4.9
125.09608	15.6
152.99469	2.3
159.38988	1.7
161.04469	1.9
169.12219	3.0
171.10194	12.6
183.13766	4.1
197.11821	3.1
201.11276	2.1
207.10219	2.1
209.11766	10.9
210.12077	4.5
211.13263	5.3
212.14270	5.2
213.11418	2.9
225.11252	5.5
226.11681	2.0
227.12744	4.7
228.13348	2.1
230.15448	65.1
231.15718	3.8
235.08105	3.6
248.16336	2.4
253.09261	5.9
254.09497	2.5
256.13367	2.3
277.21686	8.1
291.19684	2.0
292.19968	3.1
293.21094	8.0
294.21411	3.2
309.20807	4.1
310.21112	3.5
311.22241	2.2
326.61588	1.6
338.24942	11.1
356.25989	15.6
357.26379	2.3
364.22751	5.6
382.23865	27.6
383.24088	2.1
397.13351	5.1
400.24905	14.5
401.25262	3.3
418.25854	8.4
455.03119	1.8
458.30231	1.7
502.29044	2.2
520.23767	2.9
520.30713	39.7
521.30920	7.1
524.00146	1.7
538.31738	19.8
539.31720	4.0
612.35242	2.1
756.39716	100.0
757.40466	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	755.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83726	0.9
59.01250	3.9
61.98699	1.5
64.68485	0.8
71.01260	5.5
78.95773	10.3
83.04900	3.7
85.02808	1.1
89.02330	2.6
96.96793	0.9
99.00764	1.1
101.02349	2.6
113.02305	1.7
144.41010	0.9
152.99504	4.5
161.04424	1.0
163.11189	3.0
165.12781	1.7
171.10162	1.3
184.35376	0.8
191.10637	0.9
197.11758	1.1
207.10292	0.9
209.11771	100.0
210.12093	5.2
225.11217	2.2
227.12845	11.7
235.08171	2.2
253.09218	10.1
259.15518	2.4
277.21713	55.9
278.22046	5.5
291.19620	1.7
293.21225	4.6
293.24759	2.0
295.22656	1.5
307.53809	0.9
325.21338	1.0
445.20325	1.7
450.89963	1.0
514.20984	1.0
594.45105	1.1
711.21069	0.9
737.40320	1.7
755.42188	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	755.4448
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47781	2.6
59.01252	28.2
61.45443	2.5
71.01247	31.4
71.07523	7.3
72.42683	2.6
72.99187	3.0
73.02818	8.0
77.06749	2.6
78.95772	9.8
83.01270	3.8
85.02819	9.7
87.00756	4.5
89.02321	22.1
99.00776	4.3
101.02330	22.1
106.67633	2.7
113.02324	10.9
119.03386	6.1
125.02321	9.8
161.04515	5.7
171.10167	5.9
179.05571	3.9
195.13786	3.9
197.11714	3.8
207.91420	3.0
209.11739	8.0
224.92851	2.9
235.08209	15.6
255.23079	3.5
277.21667	5.4
287.07663	4.4
291.19894	3.1
293.21243	17.9
293.24747	5.1
295.22797	7.6
297.27982	73.8
298.28348	7.7
305.08655	5.0
309.20935	4.3
311.22247	7.6
316.21228	3.0
348.81842	3.7
397.13528	100.0
398.13733	6.2
407.49020	4.6
415.14590	29.0
517.52893	3.4
616.06012	3.4
755.43634	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	755.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39563	2.5
59.01249	11.6
71.01255	86.0
71.57691	3.2
72.99187	7.0
73.02827	3.3
74.88309	2.8
78.95773	15.3
83.04873	3.9
85.02826	4.0
87.00785	3.1
87.20323	3.1
87.76952	2.8
89.02339	4.3
97.02833	3.6
98.20405	2.7
99.00748	6.7
101.02332	7.4
107.55095	2.7
109.06483	8.5
113.02306	3.9
125.09553	4.1
127.11204	2.8
143.03241	2.9
152.99504	6.5
161.04494	2.9
163.11191	12.5
171.10191	37.1
177.42723	2.8
181.12357	3.8
185.11864	3.9
195.13870	14.0
197.11812	3.0
199.13315	3.9
201.11282	15.1
207.10204	41.1
207.11986	5.0
208.10780	3.8
209.11711	7.1
223.13411	7.7
225.11304	35.2
227.12807	3.7
235.08392	3.0
253.09370	16.4
255.23293	3.5
275.20221	8.8
277.21609	9.0
293.21234	100.0
294.21588	7.6
295.22620	6.7
309.20715	3.8
405.18561	3.4
461.20096	9.6
547.22296	2.8
731.30432	3.5
737.41272	8.1
738.41003	4.3
755.42957	22.3
756.42798	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	755.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.2
58.00471	1.1
58.97928	0.6
59.01252	8.8
60.59924	0.7
61.98691	2.6
65.59514	0.7
69.03325	2.5
69.57668	4.4
69.58083	1.4
71.01251	9.0
72.99171	0.6
73.02820	2.3
78.95776	0.8
83.01233	0.9
83.04900	2.7
85.02824	3.0
87.00762	2.5
89.02316	5.4
95.01279	0.9
95.04887	0.9
97.02837	2.5
97.06464	1.7
97.10719	0.7
98.83546	0.7
99.00749	1.2
101.02315	6.8
103.27177	0.7
109.06470	1.7
110.03639	0.6
111.08038	6.2
113.02341	4.4
119.03387	1.5
123.08075	0.8
125.02332	1.5
125.09600	1.2
137.09581	1.5
139.40477	0.6
143.03366	1.0
145.05023	0.8
153.12778	0.8
161.04474	1.9
163.11192	2.8
164.11557	1.0
165.12761	10.4
167.10641	0.8
169.12268	3.3
171.10179	10.3
177.15810	0.7
181.12340	1.6
183.13835	100.0
184.14177	4.8
185.11809	1.6
191.10637	0.9
193.12163	0.7
195.13812	1.3
197.11772	22.2
198.12166	1.1
199.13350	2.8
201.11235	2.9
207.10173	4.2
209.11780	25.5
210.12117	8.4
211.13525	4.2
223.13426	0.8
225.11322	5.9
227.12839	12.3
227.14891	1.3
228.13214	1.3
235.08189	6.5
243.12317	0.7
247.20726	1.8
253.09290	11.6
263.20190	1.5
273.18640	1.2
275.20090	0.9
289.18036	1.5
290.18488	1.5
291.19653	13.6
292.19983	0.8
293.21274	8.9
295.22662	0.9
307.19186	2.3
308.19547	1.3
309.20700	21.4
310.21048	1.5
311.22449	0.7
327.21948	1.9
419.22903	1.0
445.20837	2.4
463.21982	5.6
521.69348	0.8
737.40961	2.5
755.42261	65.5
756.42743	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	755.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	3.6
59.46993	0.3
69.03317	0.5
70.10733	2.0
71.01257	3.8
71.04862	0.3
72.99190	0.4
73.02835	0.7
80.02562	0.8
81.03349	1.3
83.01224	0.5
83.04898	5.0
83.60713	0.3
84.02032	0.9
85.02815	0.8
87.00746	0.9
89.02317	2.2
95.01248	0.5
95.04921	0.7
97.02821	0.7
101.02302	3.6
102.83937	0.4
109.06454	0.9
111.08049	4.7
113.02351	1.8
113.56785	0.4
119.03362	0.9
125.05931	0.4
125.09594	0.6
143.03392	0.4
151.11095	0.4
153.12749	0.4
161.04459	1.6
163.11192	4.0
165.12752	2.9
169.12257	1.8
171.10187	1.6
179.05460	0.4
181.12305	1.1
191.10756	0.8
197.11774	23.3
198.12106	1.3
199.13344	1.5
207.10220	0.6
209.11778	100.0
210.12137	5.3
211.13338	3.8
219.35934	0.4
225.11182	0.5
227.12848	11.2
228.13159	1.0
235.08223	3.0
247.20604	0.6
253.09273	12.7
254.09544	0.6
263.20197	1.5
265.18033	0.5
273.18539	0.8
291.19687	12.3
292.20087	1.2
293.21252	1.1
309.20706	33.4
310.21078	2.8
311.53033	0.4
344.86206	0.4
445.20663	0.8
472.34735	0.4
528.29578	0.5
545.30377	0.4
547.71735	0.4
610.32953	0.4
755.41846	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.5
59.01250	4.0
65.82757	0.3
70.04859	1.7
70.76997	0.3
71.01254	3.2
71.04877	0.5
73.02811	0.7
80.02538	0.9
81.03329	0.9
82.25723	0.4
83.01255	0.4
83.04895	4.2
84.02056	0.6
85.02847	0.8
87.00751	0.8
89.02327	2.4
97.02831	1.2
98.20450	0.5
101.02322	2.9
109.06437	0.4
111.08041	4.2
113.02335	1.6
114.61389	0.3
119.03361	0.8
125.05944	0.4
135.08109	0.5
145.04973	0.4
153.12712	0.4
158.61931	0.4
161.04410	1.7
163.11186	3.6
165.12807	2.5
169.12245	1.2
171.10243	2.3
181.12267	1.3
183.13786	0.5
188.59090	0.4
191.10730	1.0
193.12241	0.5
197.11769	25.3
198.12123	0.9
199.13351	1.6
207.10158	0.4
209.11771	100.0
210.12103	5.0
211.13327	3.8
225.11234	0.9
227.12840	12.8
228.13145	1.0
235.08176	2.3
247.20772	0.9
253.09268	13.7
254.09778	0.5
263.20093	1.1
265.17972	0.8
273.18665	0.8
291.19650	15.8
292.19940	1.4
293.21341	2.2
309.20703	39.0
310.21100	2.8
445.20901	0.8
545.29987	0.4
558.42932	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28450	88.4
69.28876	89.9
71.01271	17.9
74.80968	14.5
75.92372	15.8
78.95778	58.3
110.98428	32.0
152.99583	21.8
175.36751	15.3
277.21664	20.7
291.20026	17.6
293.21146	100.0
295.22577	43.4
309.20700	15.5
309.87030	17.9
311.22339	31.9
415.54648	16.5
584.60297	16.9
615.18689	17.7
755.45160	46.8
756.44965	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	755.422
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	10.2
61.12269	1.9
61.98708	4.0
71.01251	10.8
71.38988	2.3
71.39307	3.7
75.00759	2.4
78.95785	24.3
82.88029	2.3
89.02325	3.3
89.28546	2.1
96.96868	2.3
101.02334	3.0
113.02354	2.7
152.99471	14.4
169.12260	100.0
170.12599	3.9
171.10185	33.5
207.10225	4.9
209.11739	6.4
211.13318	3.7
213.11327	4.2
225.11389	3.4
235.08199	7.7
253.09203	9.5
262.85880	2.2
277.21713	67.1
278.22147	3.1
293.21201	5.7
309.20618	2.8
405.21213	7.6
445.20139	3.4
599.62250	2.7
634.29028	2.4
691.38654	2.4
709.41772	12.2
710.41675	3.7
727.42883	10.6
737.40613	3.8
755.42365	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	755.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57105	0.9
57.03309	1.9
59.01248	1.2
69.03329	1.0
70.88954	1.7
70.89292	1.5
71.04868	0.9
78.95775	100.0
83.04895	1.5
85.06419	0.9
96.96841	7.7
105.59383	0.9
105.60194	1.1
109.06479	2.5
111.04358	1.3
111.08010	1.1
132.38472	0.9
152.99487	50.9
171.00719	1.0
179.14319	2.7
181.12233	1.4
191.45053	0.9
195.13812	9.6
221.15410	6.1
223.13322	3.8
239.16460	2.7
264.96973	1.1
273.18527	1.3
291.19644	12.7
292.20102	0.9
309.20673	20.3
310.20901	1.2
445.19955	41.0
446.20248	4.2
463.21048	13.4
755.41418	49.8
756.41614	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	755.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	2.1
59.01248	1.6
68.30738	0.5
69.03323	0.7
70.77374	1.8
71.04872	1.2
78.95778	100.0
83.04896	1.2
85.06451	1.3
87.04401	1.2
96.96848	10.6
97.06507	0.8
97.87446	0.7
105.60502	0.6
109.06486	1.6
111.04430	0.8
114.74117	0.6
134.98387	2.2
150.97917	1.2
152.99492	56.9
153.99879	0.9
161.16277	0.6
167.10712	1.3
167.86740	0.6
171.00537	1.2
175.84628	0.8
179.14325	2.1
195.13844	11.2
205.12256	1.9
221.15417	6.8
223.13403	3.6
235.17110	0.7
239.16440	2.4
247.20572	1.5
273.18622	1.1
291.19672	14.8
292.20035	1.3
309.20731	22.0
310.20972	1.7
389.17355	0.8
445.19949	45.6
446.20236	5.4
463.21057	10.5
464.21173	1.1
755.41339	49.9
756.41840	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	755.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	2.1
57.03324	6.4
59.01250	88.1
65.00215	3.6
69.03354	1.4
71.01250	18.7
71.57092	2.9
73.02816	7.4
83.01262	7.8
83.69201	1.3
85.02830	5.9
85.90630	1.5
89.02313	10.3
95.01254	3.7
100.05898	1.4
101.02337	15.3
107.01269	4.2
109.02831	3.3
113.02335	12.9
119.03368	3.9
123.04438	1.5
124.01584	1.9
125.02328	38.5
126.02762	1.7
137.02354	5.1
139.00314	1.3
139.03897	3.6
141.08212	1.2
147.00761	5.2
148.97784	1.3
151.00290	13.2
152.01001	2.9
153.01872	13.4
159.04572	1.5
161.04468	5.7
165.01807	8.8
167.03439	3.3
169.01334	3.8
175.00275	22.6
177.01997	1.3
178.99753	10.7
187.13361	9.8
189.70338	1.4
191.03436	8.2
193.01353	100.0
194.01709	4.5
205.04985	1.9
215.03514	7.2
231.34924	1.6
233.04570	2.1
257.04568	5.9
301.03503	17.2
319.04565	11.5
331.17578	32.1
332.18033	1.9
349.18591	21.8
391.19699	37.8
392.20132	3.4
435.13135	1.9
501.86758	1.7
511.82608	1.5
552.98999	1.6
586.59308	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26783	0.7
57.03328	13.9
75.42961	0.6
81.03323	1.2
83.01260	3.0
90.65374	0.7
93.03338	3.1
95.01286	1.0
95.04927	1.1
105.03348	2.3
107.04905	2.2
109.02849	7.2
117.03358	0.8
119.04933	2.1
121.02827	5.2
123.00772	2.1
123.04417	0.9
124.01534	1.5
125.02335	100.0
126.02711	2.2
131.04898	2.2
133.02843	3.5
137.02333	15.1
139.03955	4.4
145.02812	1.7
147.00735	1.0
147.04471	1.2
149.02371	6.2
149.05949	1.2
151.03935	11.2
159.04411	2.0
161.02342	19.1
162.02867	0.8
163.00278	5.2
163.03905	3.3
164.01024	3.5
165.01862	6.6
166.02542	1.3
167.03465	5.1
169.01395	0.8
173.05948	1.4
174.03215	0.8
175.00305	3.6
175.03920	18.6
176.01089	1.5
176.04248	0.9
177.01852	82.2
177.05426	2.7
178.02168	3.9
179.03423	3.0
187.03943	2.7
189.01836	2.1
191.03400	2.8
193.05038	3.4
198.03183	0.7
199.04008	5.3
201.01859	3.3
201.05557	2.1
203.03482	2.8
204.04247	0.9
211.03966	1.5
213.05505	2.2
215.03476	2.3
216.04103	1.2
216.60413	0.9
217.05017	8.7
218.05530	0.6
219.02969	4.7
219.06535	2.6
221.04440	1.5
225.05551	2.2
227.03470	3.2
228.04257	1.3
229.01405	3.0
229.05025	3.1
229.27658	1.1
241.05231	1.2
243.02957	16.3
243.06650	1.6
244.03455	1.2
245.04472	1.8
247.02367	0.8
253.05052	0.9
255.02953	13.0
256.03662	2.6
257.04419	1.5
261.04037	8.2
261.06711	1.0
269.04578	7.5
270.04816	1.0
271.02435	1.1
273.03998	3.8
282.01941	0.9
283.02460	6.4
285.04016	2.9
287.05618	12.7
288.02512	0.8
297.04013	3.9
298.04636	0.7
301.03488	6.6
302.04019	0.8
303.04987	7.7
305.06671	17.6
306.06982	1.2
313.03452	2.5
315.05005	1.4
327.05099	1.9
333.03339	0.7
337.07214	1.1
352.99527	0.7
379.08270	1.9
387.05139	1.8
405.06180	5.0
423.07211	64.8
424.07669	6.9
439.06683	2.4
441.08325	3.6
447.06671	0.9
451.10364	3.1
453.08154	1.2
465.08456	3.5
483.09314	4.0
569.10895	2.9
587.11523	4.6
591.11548	4.0
609.12677	4.6
610.12408	0.9
629.12689	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74722	0.4
57.03326	0.5
58.89218	0.3
59.01247	1.0
60.09226	0.3
61.98704	100.0
62.98403	0.3
71.01248	0.7
71.27840	0.8
73.02814	0.6
80.96393	1.0
83.04889	0.6
89.02328	0.4
95.79166	0.3
96.95911	1.4
99.60405	0.3
101.02351	0.5
105.18724	0.3
109.06546	0.3
113.02322	0.4
120.79104	0.3
124.01524	0.3
125.02310	1.6
137.02362	0.7
140.92969	0.3
164.14572	0.4
169.01337	0.8
171.10262	0.8
209.11790	4.1
210.12146	0.8
211.13306	0.4
215.12976	0.4
227.12910	0.8
253.09415	0.6
289.18033	0.6
290.18588	0.8
629.70679	0.4
754.35083	0.8
755.36212	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	16.0
76.67561	1.4
83.01269	3.5
89.03895	1.7
93.03364	2.9
94.23808	1.4
101.39909	1.4
105.03346	4.1
107.04942	2.6
109.02849	7.0
121.02862	5.2
125.02335	100.0
133.02831	1.8
137.02339	15.4
139.03902	4.4
145.02887	3.1
147.04340	1.7
149.02290	6.8
151.03911	11.0
161.02342	20.3
163.00310	5.7
163.03928	2.6
164.01064	1.6
165.01816	7.5
167.03395	4.7
175.00342	2.9
175.03928	20.0
177.01851	87.3
177.05490	3.7
178.02177	2.8
179.03444	3.9
187.03865	3.9
189.01891	3.3
191.03479	2.0
193.04988	4.0
199.03990	4.3
201.05547	3.4
203.03397	2.4
211.04025	2.7
217.04976	9.1
219.02968	4.5
219.06610	1.9
221.04459	1.5
227.03481	5.0
229.01402	3.1
229.05014	4.6
229.64000	1.7
243.02951	17.6
245.04607	2.0
253.05116	1.7
255.02989	11.7
256.03595	1.9
261.04019	10.0
269.04465	7.8
273.04065	5.3
283.02686	6.8
285.03986	1.9
285.07291	1.6
287.05603	12.5
297.04153	7.2
301.03510	6.6
303.05032	7.7
305.06674	21.7
306.06778	1.8
313.03537	2.9
315.05045	1.6
379.08228	2.0
387.05026	2.9
405.05957	7.9
423.07190	69.3
424.07507	5.3
437.13486	1.6
441.08340	4.3
442.08762	1.4
451.10300	3.2
453.08167	1.8
460.29993	1.6
465.08377	4.7
483.09329	3.7
501.54642	1.7
569.11011	3.2
580.83948	1.7
587.12439	4.0
591.11401	4.1
609.12164	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	753.5133
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71929	0.4
56.87505	0.3
57.03314	0.5
59.01251	2.2
59.32114	0.4
61.39041	0.4
61.98697	1.2
71.57970	0.6
72.99174	4.7
73.99498	0.5
75.00746	100.0
76.00275	0.6
76.01094	0.8
81.03330	2.1
81.69424	0.4
83.04893	6.2
88.79460	0.4
97.20389	0.3
98.02376	0.9
103.65849	0.4
107.06020	0.5
108.80014	0.4
109.02780	0.4
125.02352	3.5
125.07072	0.6
149.02359	0.4
151.00264	0.9
151.03983	0.4
167.03447	1.1
168.81778	0.4
169.01396	0.6
177.01953	0.9
177.53951	0.4
193.04994	0.5
203.85562	0.5
207.15018	0.5
223.14420	0.6
224.17766	1.3
225.16014	2.7
242.18559	0.5
285.04065	0.6
308.42130	0.4
313.05450	0.8
340.26013	0.5
357.04794	0.4
430.33459	0.4
436.37033	0.4
439.09055	0.5
450.34735	1.0
451.33005	0.9
559.39246	0.4
601.11926	1.5
673.46033	0.5
675.47906	4.0
676.48212	0.7
677.49750	4.9
678.50177	1.5
692.47754	0.6
693.49133	36.5
694.49377	5.1
753.50708	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4432
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	13.2
65.95193	0.6
71.01248	2.4
75.00767	0.6
78.95783	1.7
85.02860	0.7
88.32204	0.5
89.02336	1.7
98.19822	1.3
101.02316	1.8
113.02331	1.6
125.09617	0.6
132.76639	0.6
139.35725	0.7
153.12778	1.1
161.04509	0.8
169.12299	5.2
171.10115	1.0
179.10655	0.9
197.11777	100.0
198.12132	3.9
211.13341	1.4
235.08151	1.9
253.09232	5.5
277.21738	47.4
278.22314	3.6
291.19412	0.8
293.21268	1.4
415.19547	1.0
433.20792	5.5
475.90259	0.6
753.42633	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	753.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	6.7
61.98701	5.8
69.03298	0.8
69.52199	0.6
69.87130	2.7
69.87568	1.4
70.97350	0.6
71.01254	6.9
71.04875	1.4
73.02811	1.2
76.57820	0.7
80.02548	1.6
81.03326	2.2
83.01268	0.9
83.04889	5.2
84.02065	0.7
85.02831	2.1
87.00777	1.1
88.78125	0.6
89.02329	3.6
95.01258	1.0
95.04897	2.1
96.95869	3.2
97.02829	0.9
97.06429	1.2
98.20474	1.2
99.59417	0.6
101.02325	5.1
106.04098	0.7
109.06479	7.0
109.36743	0.6
111.04414	1.2
111.08052	1.4
113.02353	2.3
119.03399	0.9
121.06460	0.9
123.04440	0.7
123.08096	1.0
125.02316	1.8
125.09612	1.2
135.08032	1.6
137.09627	0.8
145.04951	0.8
145.06564	0.8
147.11833	0.8
149.09628	0.9
151.11053	0.8
161.04434	2.3
163.11237	5.6
165.12743	2.3
167.10652	1.0
171.10172	8.1
177.92325	0.7
181.12250	1.1
185.11688	1.4
191.10703	0.6
195.13841	1.8
197.11746	2.7
207.10190	6.9
209.11765	100.0
210.12105	5.0
211.13293	1.5
223.13388	1.2
225.11250	8.7
227.10724	1.3
227.12837	14.0
228.13196	0.8
235.08244	3.6
235.13383	1.2
237.14940	1.5
243.17499	0.9
245.19038	3.0
251.16425	1.0
253.09242	13.4
259.17084	0.7
271.17065	2.6
273.69952	0.7
285.03946	0.8
287.16446	1.8
289.18094	70.6
290.18433	4.9
291.19638	2.2
307.19205	6.0
309.20880	4.4
327.19647	3.0
345.20749	4.2
441.26456	0.9
456.46185	0.6
461.20465	2.2
481.29620	0.9
499.30692	2.6
500.30789	0.9
517.31653	1.2
525.27203	1.1
581.29401	1.5
599.31818	0.8
735.39606	6.4
736.39648	0.8
753.41162	4.6
754.41058	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.1
59.01257	7.0
61.98697	1.7
69.03308	0.7
70.87795	0.6
70.88107	1.0
71.01255	6.0
71.04903	0.8
72.99193	0.7
73.02812	1.0
75.00751	7.7
76.01085	0.9
77.01149	0.5
78.91734	0.7
78.95750	0.6
80.02537	1.6
80.08312	0.5
81.03329	2.0
83.01241	1.7
83.04901	5.6
84.02039	0.8
85.02827	2.9
87.00737	1.7
89.02312	3.7
95.04913	1.4
97.02828	1.0
97.06479	3.0
99.00757	1.1
101.02311	4.7
109.06472	2.1
111.08054	1.5
113.02343	3.5
119.03380	1.0
119.08528	0.6
121.06451	0.5
123.04397	1.2
123.08015	0.7
125.05991	1.0
125.09612	2.4
135.08031	1.2
137.09628	1.6
145.05013	0.9
149.09630	0.7
151.11127	0.8
151.37482	0.5
161.04457	1.2
161.09560	0.7
163.11201	8.5
165.12764	4.2
169.12257	0.6
171.01666	0.6
171.10178	2.8
179.10721	0.9
181.12224	1.9
183.13741	0.7
185.11835	3.3
191.10713	1.5
191.14378	3.1
197.11790	5.6
199.13284	0.9
207.10187	6.2
208.10481	0.6
209.11768	100.0
210.12105	6.0
211.13332	1.6
223.09671	0.9
223.13416	0.7
225.11299	6.0
226.11864	0.6
227.12840	13.0
228.13235	0.8
235.08205	2.8
237.11229	1.5
245.19061	6.7
253.09251	11.8
254.09540	0.6
263.20221	2.5
271.17102	0.7
289.18100	30.1
290.18347	2.6
291.19601	3.2
293.21204	2.9
307.19159	26.7
308.19409	2.3
309.20709	4.5
346.72134	0.5
376.46213	0.5
401.23318	0.7
445.20837	1.4
461.20508	1.0
499.30621	0.7
520.09973	0.6
543.28455	0.9
637.32104	1.2
735.39740	0.9
753.40631	12.3
754.41266	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	753.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	2.0
59.01254	16.3
69.03315	1.9
71.01244	11.2
73.02818	2.2
77.06977	1.7
78.73806	1.7
78.95769	15.1
79.18395	1.7
80.42896	1.7
81.03339	3.0
83.04904	2.5
85.02832	5.0
87.00764	3.0
89.02318	6.1
97.02814	9.7
98.19772	5.4
99.00776	3.9
101.02334	5.6
109.06466	29.2
111.08048	4.9
113.02345	7.9
113.52709	1.8
119.03410	2.3
120.91282	1.9
121.06501	2.6
125.02376	2.9
125.09604	3.3
135.08044	4.5
138.90213	1.7
142.02570	2.4
152.99498	6.7
161.04375	3.0
161.09656	2.4
163.11217	21.7
164.11604	2.0
165.12756	2.0
169.01332	2.2
169.12262	3.0
171.10176	4.2
181.12282	5.0
183.13722	1.8
189.09180	2.7
192.84138	1.8
197.11752	29.5
199.09624	1.8
202.86429	1.6
207.10202	100.0
208.10571	4.6
209.11697	8.5
211.13336	8.1
225.11269	39.6
225.14616	1.8
227.12871	2.1
229.54805	1.8
235.08180	6.0
253.09338	19.1
253.25739	1.8
277.21786	7.4
291.19681	27.7
291.51486	2.0
292.19708	1.9
293.21088	4.4
309.20721	62.0
310.20953	4.6
443.18948	8.5
461.20444	14.5
462.20544	2.0
622.46423	2.0
735.39545	4.7
753.40607	43.0
754.40729	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	753.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.1
57.03325	4.6
59.01254	24.5
61.98706	10.9
65.99144	0.7
69.03312	0.8
71.00896	1.0
71.01260	18.0
72.99186	4.9
73.02820	3.0
75.00748	22.7
77.65338	0.7
80.96384	1.0
81.03299	1.0
83.01247	3.1
83.04907	1.0
84.02035	0.7
85.02827	21.7
85.99992	0.7
87.00752	6.3
89.02313	2.4
95.01261	3.9
96.95874	3.0
97.02835	1.1
99.00762	7.1
99.84551	0.7
101.02306	4.7
109.06482	1.8
111.00749	1.0
113.02332	21.5
115.00240	2.2
117.01833	0.9
119.49096	0.6
125.02328	2.9
126.02798	0.7
129.01863	1.1
137.02348	1.0
140.29092	0.6
157.01295	1.1
163.11226	0.9
169.01381	1.6
171.10162	1.6
175.02403	1.8
185.11812	0.9
190.94350	0.7
207.10185	0.8
209.11784	15.5
210.11929	1.1
218.27577	0.7
223.13142	0.8
225.11324	1.1
227.12837	1.8
243.46497	0.7
253.09247	1.8
283.26379	0.8
289.18088	8.1
329.30615	0.9
491.35403	0.9
709.40155	100.0
710.40576	14.1
753.33563	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	1.4
57.03327	5.7
59.01250	28.8
61.98708	8.4
62.11211	0.7
69.51725	1.4
69.52139	4.1
71.01254	24.4
72.99168	4.2
73.02811	2.4
75.00749	26.4
78.95790	0.9
79.39789	0.7
80.96391	2.5
83.01244	2.9
83.04923	0.9
85.02824	26.1
87.00764	8.4
88.67176	0.6
89.02309	2.8
94.98009	1.0
95.01298	3.3
96.95895	5.1
97.02809	1.8
99.00756	8.7
101.02315	4.9
103.00216	1.1
111.00750	1.0
113.02334	23.3
115.00245	1.9
117.01853	1.6
125.02306	3.5
129.01837	1.3
134.97412	0.6
137.02345	1.4
163.65443	0.7
164.98578	0.7
169.01326	1.1
171.10182	2.2
175.02376	1.9
178.10965	0.7
209.11781	7.9
211.13303	1.0
225.00528	1.0
227.12846	1.6
283.26355	0.8
289.18005	1.1
307.19214	1.2
329.30710	0.8
572.56042	0.8
709.40131	100.0
710.40424	15.3
753.33380	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	753.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.6
59.01252	78.3
59.80254	0.5
60.01577	1.0
63.02251	1.8
65.00177	1.7
69.47801	5.2
71.01255	11.6
73.02808	2.4
78.95751	0.7
80.04786	0.7
81.03329	3.1
83.01257	2.5
85.02823	1.7
93.03313	0.6
95.01235	1.0
96.95889	0.8
98.19798	1.4
99.00758	1.6
99.08032	0.7
101.02321	2.8
107.01286	3.2
108.02047	1.3
109.02850	0.7
113.02337	2.2
121.02818	3.3
122.03662	4.6
123.00762	0.7
123.04398	1.0
123.08022	1.5
125.02346	8.6
125.05997	3.0
131.04916	1.7
133.02850	2.3
133.06464	1.6
133.93387	0.6
134.03636	1.5
136.01588	1.0
137.02348	1.2
143.03409	0.8
145.02904	0.8
146.03644	0.9
147.04446	1.4
147.08084	1.0
149.02351	7.9
149.05984	1.9
150.03139	22.9
151.00275	10.2
151.03568	0.8
152.01038	1.2
153.01833	1.2
161.02356	0.9
161.04482	0.9
163.03885	0.9
164.04655	1.7
165.05482	22.2
165.09126	18.5
166.05734	0.8
166.09532	0.8
167.03409	2.8
169.01331	4.0
177.01840	1.2
178.99779	8.9
179.03339	0.8
179.07101	1.1
180.04155	1.4
181.01292	0.8
191.07103	1.0
193.05002	0.7
195.06558	11.2
203.05545	11.5
209.08136	100.0
210.08490	5.3
229.04968	0.7
233.08116	1.1
250.14493	0.7
251.09259	1.2
313.05719	2.9
341.05099	8.3
343.11938	0.6
347.14813	1.5
361.16669	4.2
371.13422	10.3
372.14032	0.9
393.06332	1.6
415.17554	1.0
439.08539	0.9
461.12976	1.4
509.21780	6.7
521.21777	1.0
539.22968	1.4
557.23608	1.2
563.22607	1.4
591.07831	1.1
601.11743	3.7
652.31464	0.6
657.27576	3.0
687.27411	1.4
705.29651	2.3
735.29370	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86491	0.6
58.02846	1.0
59.01243	1.5
65.00169	0.7
70.20679	2.4
74.02339	2.9
96.12674	0.6
96.17314	0.7
96.17986	0.7
98.02335	1.2
107.01240	1.5
109.02821	1.3
109.59163	0.7
116.03400	1.0
116.04942	1.1
124.01559	1.7
125.02319	3.3
125.67963	0.7
127.78178	0.6
137.02324	2.6
147.04402	1.1
151.00272	5.9
163.00317	1.8
164.01161	1.5
169.01324	1.3
175.47992	0.6
177.01855	1.5
178.99799	5.0
203.03210	0.8
203.08250	3.0
214.02670	3.7
215.03368	1.1
227.03368	1.1
231.02849	0.7
242.02185	2.6
243.02968	1.9
245.09277	12.2
259.02499	3.7
270.01648	2.9
271.02463	24.5
272.02740	1.0
287.01984	15.2
288.02591	1.3
300.02646	1.3
301.03278	1.1
316.02206	71.0
317.02890	15.4
346.00836	0.8
453.28296	0.7
463.08804	100.0
464.09167	9.1
781.98151	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	14.9
59.01250	4.6
69.61899	5.2
71.01252	3.6
75.00745	1.9
81.03339	2.1
83.01271	3.6
85.02831	4.0
85.31636	0.8
89.03876	1.1
93.03360	1.8
95.01252	1.3
95.04930	1.0
96.95869	1.3
97.02848	2.0
98.19885	1.3
99.00750	1.2
109.02834	12.3
113.02322	2.3
117.03330	1.4
119.04893	1.9
121.02854	2.3
122.03663	1.3
123.04420	7.7
124.01579	1.0
125.02342	100.0
126.02673	1.7
131.04909	1.8
133.02808	5.0
134.03632	2.1
135.04430	4.4
137.02350	20.1
137.03320	1.6
139.03889	1.6
143.04860	1.1
145.02838	3.9
146.03625	1.0
147.04535	1.1
149.02332	4.3
150.03157	1.5
151.03906	8.3
151.11224	0.9
152.01123	0.8
154.52319	0.9
159.04376	5.8
160.01582	1.6
161.02353	22.4
161.05937	4.9
162.03197	1.3
163.00288	3.1
163.03900	5.0
164.01060	3.0
165.01865	6.3
167.03406	2.1
168.00624	1.1
169.01430	0.9
175.03928	11.6
175.07439	1.3
176.04379	1.1
177.01860	12.9
179.03444	4.4
183.04474	2.1
185.02350	1.0
185.06020	3.4
187.03954	7.2
188.04657	2.9
189.05440	1.1
191.01981	1.1
191.03529	1.2
193.05038	1.0
199.03966	3.9
201.05580	3.1
203.03477	1.0
203.07138	4.7
205.01366	1.7
205.05008	4.3
211.04012	2.0
213.05464	1.7
215.03354	1.3
216.04291	1.0
217.05011	3.2
219.02953	2.8
221.08150	2.1
226.41046	0.9
227.03369	3.4
227.07019	1.3
229.05009	4.5
241.04951	1.7
243.02959	6.3
243.06699	1.0
245.04550	4.2
245.08208	7.4
253.05032	3.4
255.02937	9.1
255.06723	0.9
256.03818	3.4
257.04590	2.4
266.29028	0.9
267.07095	1.1
268.07358	1.0
269.04480	2.3
271.06122	9.9
271.30261	1.0
273.04095	6.3
279.06580	0.9
281.04501	3.8
283.02457	1.4
284.03174	1.0
285.04108	3.4
287.05588	6.4
289.07187	32.7
290.07550	2.5
297.07462	1.5
299.05670	3.5
301.03693	1.3
324.57852	1.1
329.06662	1.3
339.08667	3.6
341.06711	1.0
363.08844	1.9
381.09698	2.3
389.06525	4.7
407.07718	61.2
408.08014	4.4
425.08777	7.3
433.09384	3.4
451.10471	12.7
465.11945	3.3
559.12744	2.6
560.12042	1.0
577.13477	9.0
578.13690	1.4
583.12860	4.2
601.13544	7.8
602.14050	1.3
627.14502	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.1
59.01248	7.0
67.50623	0.5
69.03332	3.1
70.02077	1.5
70.60257	0.4
71.01261	5.3
71.04871	0.6
72.99170	0.6
73.02848	1.2
78.95778	0.6
81.03330	0.6
83.01253	0.7
83.04903	1.3
85.02827	1.6
85.06469	0.5
86.05407	0.5
87.00768	0.7
89.02328	3.3
92.69071	0.5
93.03334	0.6
94.16060	0.5
95.04905	0.5
98.20589	0.4
99.00764	0.5
101.02313	5.0
109.06467	1.4
111.08037	5.9
113.02349	2.5
119.03360	1.2
125.09592	0.9
127.07576	0.6
133.57532	0.5
143.03421	0.8
145.04942	1.0
149.09663	0.5
151.11134	0.7
153.12746	0.5
161.04414	2.4
161.13210	0.7
167.10690	3.5
169.12308	2.3
177.12756	1.2
179.10703	2.0
179.14360	3.9
181.12299	0.8
183.13876	0.8
195.13837	11.5
197.11760	28.4
198.12140	1.4
199.13478	1.0
205.12273	9.6
209.11621	0.7
211.13335	3.6
221.11769	3.8
223.13342	100.0
224.13692	6.8
235.08194	6.9
239.12744	1.4
253.09245	15.2
263.20154	2.1
265.18262	0.6
273.18539	0.5
291.19675	10.3
292.20193	0.7
293.21194	3.3
309.20712	38.1
310.20999	3.6
459.22327	10.1
460.22507	1.7
515.33649	0.7
527.28552	0.7
751.40961	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.1
58.00444	0.4
59.01253	6.8
62.23900	0.3
69.03336	2.1
71.01251	5.0
71.04883	1.0
71.38890	0.3
73.02824	1.2
81.03306	0.5
83.01250	0.4
83.04901	0.9
85.02831	1.2
85.06483	0.4
87.00758	1.1
89.02307	3.3
93.03345	0.4
95.01257	0.4
95.04881	0.9
97.02833	0.8
97.06447	0.6
98.19786	1.0
99.07988	0.3
101.02324	4.0
109.06486	0.9
111.08042	8.4
112.08385	0.6
113.02345	1.8
119.03391	0.9
123.08047	0.3
125.02354	0.4
125.09615	0.5
127.07471	0.5
130.11604	0.3
135.15730	0.3
137.09619	0.4
141.09155	0.5
145.04988	0.7
149.09616	0.8
151.11176	0.6
153.09131	0.7
153.12737	0.8
161.04535	1.7
163.11124	0.4
167.10692	3.7
169.12257	3.3
171.10179	0.8
177.12750	0.6
179.05496	0.6
179.10774	1.7
179.14342	3.5
183.13828	0.7
186.67308	0.3
195.13863	11.0
196.14201	0.8
197.11774	41.1
198.12085	2.2
199.13382	2.3
205.12279	10.3
206.12651	0.6
209.11786	0.5
211.11430	0.6
211.13336	5.7
211.15169	0.6
223.13353	100.0
224.13684	6.3
227.12842	1.5
229.33769	0.4
235.08179	4.5
247.20523	0.8
249.14821	0.6
253.09271	15.3
254.09579	0.8
263.20129	1.8
265.18005	1.0
273.18567	1.1
291.19693	17.1
292.20010	1.3
293.21170	0.5
309.20721	49.5
310.21075	4.4
361.76358	0.4
433.20844	0.4
441.21365	0.5
459.22369	8.5
460.22769	0.8
515.33710	0.9
516.34064	0.4
527.28540	0.8
545.29590	1.6
546.29065	0.4
751.41394	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	32.8
61.98705	79.3
69.03281	3.8
71.01247	24.6
71.07717	7.9
72.99168	4.2
73.02827	3.5
75.00741	11.7
85.02831	15.7
87.00769	5.2
89.02325	12.8
95.11584	3.0
96.95880	6.3
99.00750	3.8
101.02308	15.3
113.02329	12.2
125.02325	13.2
137.93561	3.2
143.10609	5.0
169.01315	5.7
171.10089	3.3
195.13857	4.7
209.11742	30.4
211.13448	7.1
223.13361	6.0
225.11040	4.0
227.12837	6.2
235.08151	4.4
246.30679	3.2
253.09215	5.3
287.16650	5.1
293.21228	100.0
294.21570	7.3
353.16876	3.7
397.13516	31.9
415.14590	27.1
691.35229	3.8
707.38611	31.2
708.38641	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	751.376
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	3.7
59.01250	13.5
61.98710	6.4
62.49687	0.9
69.03310	0.9
69.44692	0.9
69.47382	8.5
71.01250	16.4
72.99183	5.6
73.02815	2.0
75.00745	17.9
80.02561	2.5
81.03330	3.2
83.01270	1.5
83.04898	8.2
84.02045	3.3
85.02817	18.7
86.83465	0.8
87.00740	7.0
88.98685	2.9
89.02318	3.5
95.01258	5.9
95.04903	1.4
96.95908	1.2
97.02842	1.0
99.00761	11.0
101.02322	1.8
101.42406	0.8
103.00286	2.5
105.12314	0.9
112.01614	1.2
113.01610	1.6
113.02335	18.9
115.00275	1.7
117.01833	2.6
121.02825	1.6
125.02354	4.1
125.09691	1.8
129.01828	1.7
131.24803	0.9
135.08090	1.3
137.02361	1.9
159.67221	0.9
163.11182	6.0
165.12767	3.5
169.01320	1.1
173.31636	1.0
175.02385	3.4
181.12285	1.0
191.10718	2.2
197.47328	1.0
209.11768	100.0
210.12096	6.1
211.13278	1.2
227.12856	7.2
249.06090	2.1
253.09355	1.4
410.93173	0.9
459.18607	1.5
466.18640	0.9
477.20114	2.1
509.22055	1.1
515.71753	1.1
687.32288	35.2
688.32599	6.4
719.34912	50.9
720.35138	6.9
751.37665	32.0
752.38037	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	751.376
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53826	2.7
57.03295	3.6
59.01255	28.6
61.98700	100.0
65.94264	3.0
67.17281	3.2
71.01250	23.2
72.99199	3.2
75.00730	13.7
85.02821	9.0
87.00752	6.1
89.02311	12.2
95.01266	3.5
96.95908	9.7
97.02818	3.5
99.00761	4.7
101.02322	11.6
113.02365	14.0
116.54449	3.0
119.03398	4.1
125.02344	15.9
169.01295	5.2
195.13892	7.0
209.11810	21.9
211.13268	4.0
223.13301	6.8
225.11201	4.9
227.12952	5.3
233.11478	3.3
235.08307	3.7
253.09174	5.2
287.16415	5.1
289.17828	3.6
293.21204	97.9
294.21390	8.2
305.17462	6.0
387.80826	2.9
397.13470	27.0
398.13907	3.7
415.14539	29.7
698.80896	4.3
707.38629	21.0
708.38818	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	751.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48666	1.6
57.03311	1.8
59.01251	17.0
61.98711	4.5
71.01254	14.0
72.99184	2.6
73.02813	2.1
75.00784	1.9
81.03316	2.9
83.01280	3.2
83.04906	6.6
85.02826	8.1
87.00751	3.1
87.30997	1.6
87.76484	1.8
88.98651	2.9
89.02335	5.5
95.01247	2.0
96.95907	4.2
98.20583	3.9
99.00748	2.0
101.02341	7.6
101.23978	1.9
113.02354	9.5
114.19452	1.7
119.03371	3.0
125.02342	10.7
135.08098	1.9
136.86929	1.6
137.02429	1.7
145.59174	2.0
151.03889	1.8
151.11221	2.2
153.12695	2.1
161.04539	3.7
163.11180	5.7
165.12766	3.3
167.03462	1.8
169.01375	2.2
169.12253	32.8
191.90157	1.8
197.11772	67.1
198.12132	3.0
209.11769	100.0
210.12161	6.8
214.33545	1.7
227.12827	9.0
230.08788	2.3
253.09265	4.8
267.07263	2.3
302.53644	1.8
647.35883	2.9
687.21405	1.4
687.32300	35.0
688.33228	5.1
719.35052	55.1
720.35577	9.5
751.24860	3.2
751.37750	48.2
752.37762	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	1.6
71.01247	0.9
72.99177	3.7
73.02824	0.3
73.32332	0.3
75.00747	100.0
76.01086	1.0
78.95777	0.7
89.02326	1.3
92.46314	0.3
95.01240	0.3
101.02333	1.0
108.84558	0.3
110.93280	0.4
113.02334	0.4
125.02351	0.5
146.63615	0.3
161.04561	0.3
172.27907	0.3
235.08154	0.5
277.21725	3.1
397.13461	5.8
398.14120	0.7
415.14453	1.8
466.46555	0.3
510.50055	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	2.1
61.98703	0.5
69.03331	0.4
71.01239	1.9
71.58416	0.3
72.99179	4.0
73.98414	0.3
75.00748	100.0
76.01096	1.1
78.95745	0.4
83.95805	0.4
85.02805	0.6
87.00755	0.5
89.02322	1.5
97.02840	0.6
101.01755	0.3
101.02331	1.9
108.04440	1.4
109.06489	0.7
113.02321	1.1
117.45004	0.3
119.03355	0.4
125.02332	0.8
125.09614	0.5
137.54883	0.3
143.03442	0.4
161.04431	0.4
163.11203	0.5
171.10170	2.2
181.53546	0.4
195.13919	0.6
197.11815	1.8
197.95209	0.3
205.12328	0.6
206.41246	0.4
206.83188	0.4
207.10229	1.1
209.11725	1.8
211.13405	0.6
223.13364	4.4
224.13701	1.2
225.11304	1.0
225.13618	0.3
227.12894	0.5
235.08220	1.1
253.09338	1.1
277.21677	3.7
289.18210	2.0
290.18427	1.1
291.19495	2.3
302.17630	0.8
309.20575	0.9
329.88089	0.3
397.13535	6.1
398.14072	0.4
415.14459	2.4
477.19336	0.4
751.38922	2.9
752.39221	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28379	2.0
57.03335	2.6
59.01248	22.9
60.64700	2.1
71.01260	2.9
71.34525	5.3
78.95760	4.2
80.19602	2.1
81.77969	2.2
82.02861	5.8
85.02821	3.9
94.02861	69.3
94.76222	2.2
95.04913	3.9
96.04429	6.9
96.95882	2.1
105.05732	3.6
108.04430	6.6
110.06025	4.8
120.04398	2.8
120.08083	63.3
121.05202	3.2
121.08456	2.3
122.06002	29.6
123.00773	2.7
125.02344	9.9
134.03601	4.0
137.02304	2.6
137.04834	2.7
138.05515	32.1
139.05797	2.3
144.04411	5.5
146.06020	2.1
149.02310	3.4
150.05537	2.3
151.00238	3.3
162.05505	5.3
162.29860	2.2
163.03941	2.7
164.07100	5.7
168.93996	2.4
169.01334	9.6
174.05608	5.6
193.01358	6.3
193.04968	4.4
195.06656	3.7
203.05798	10.1
203.07574	2.1
203.69388	2.8
203.71613	2.5
215.11855	6.3
223.08664	3.6
236.09517	8.7
237.10251	6.2
239.11823	4.4
249.10260	5.0
250.07330	2.6
250.11127	3.9
251.09241	3.7
251.11929	38.3
252.12468	5.3
257.12851	3.0
261.12350	3.3
263.08206	9.7
263.11874	9.0
264.08990	4.5
264.12399	2.9
265.09708	5.0
265.13406	6.8
266.10477	3.2
267.11273	4.5
267.94296	2.4
276.09052	7.7
277.09793	40.8
278.10651	12.3
279.11169	4.3
281.13962	3.8
283.10828	2.8
285.04062	19.0
289.22043	2.1
291.11383	63.5
292.12161	45.8
293.09671	2.9
293.12814	27.8
294.10229	4.8
294.13293	3.5
295.11020	5.4
303.13431	5.6
307.10901	2.2
313.05716	8.2
324.11481	4.3
325.11780	7.0
335.10416	20.2
336.10977	15.1
337.11969	7.7
344.13898	5.9
345.14328	3.0
346.15591	4.3
357.14301	2.5
358.15622	3.9
359.16309	3.6
372.17352	16.6
373.17856	5.7
374.18759	7.5
384.13330	6.2
385.14029	4.1
386.14990	6.2
386.19254	3.4
388.16446	4.3
398.14825	2.9
399.15964	5.6
400.16559	8.2
414.18271	37.5
415.18710	10.9
418.17889	16.6
432.19138	6.1
440.16486	3.9
441.16748	7.7
446.21027	6.1
458.17291	32.7
459.17847	24.7
460.17984	2.7
478.19919	3.8
490.19821	100.0
491.19949	14.8
511.23795	10.5
518.19629	12.1
550.21997	43.1
551.22382	7.5
553.24384	8.5
555.22491	14.9
571.17535	3.6
571.25360	14.8
571.33624	2.3
587.25085	23.6
588.25323	3.6
597.23608	29.6
598.24011	5.6
599.09894	11.8
615.24603	69.7
616.24927	13.1
629.26025	25.5
630.26605	4.2
647.27161	48.7
648.27515	8.8
657.24963	2.9
675.26642	13.6
707.29620	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	751.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	8.6
59.01250	26.8
71.01256	7.7
71.58298	2.1
72.80180	1.3
72.99181	1.0
73.02830	4.6
83.01262	2.3
83.04871	6.0
85.02810	3.6
87.00748	7.7
93.03322	2.2
95.04922	2.8
96.95866	1.4
97.02836	1.4
99.00771	2.6
101.02313	7.1
101.05950	1.3
111.04404	1.7
111.08051	1.5
113.02320	4.6
119.08560	1.8
121.02837	1.7
121.06450	5.8
122.03635	1.6
123.08040	20.7
123.88835	1.1
125.02325	4.8
134.03603	1.9
135.04494	1.7
135.07991	1.3
137.09641	2.4
138.06763	1.2
139.07520	2.3
143.08508	1.3
145.10080	2.6
149.02333	2.0
150.03093	3.9
151.00328	1.2
151.07581	2.8
153.09137	3.3
159.02948	1.7
161.04439	4.5
164.04625	1.3
165.05467	4.9
169.01344	1.3
169.10114	2.8
171.11707	22.0
177.01863	1.6
179.07149	1.4
189.12767	8.5
195.06601	2.7
196.05702	1.2
201.12801	7.0
207.13853	4.3
216.50928	1.1
219.13847	3.0
223.06070	4.8
237.14935	49.3
238.15164	3.4
263.12933	1.2
269.10327	7.3
278.39487	1.1
281.13943	100.0
282.14246	5.6
285.04160	2.7
301.03635	1.3
311.11575	1.3
321.94778	1.5
401.14545	9.4
441.31680	1.3
443.15552	64.4
444.15826	4.4
447.09274	2.4
555.21649	1.2
622.86139	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03322	1.1
57.03332	1.3
59.01258	6.3
65.00182	1.5
71.01249	2.9
71.60265	2.4
72.99195	1.6
75.00711	1.3
82.97718	1.2
83.01250	1.5
85.02816	3.1
87.00744	1.2
89.02306	2.2
96.95863	1.6
99.00787	1.3
101.02319	1.3
107.01276	2.1
113.02334	2.9
119.04900	1.0
120.77466	1.0
121.02840	1.2
125.02335	4.9
125.63775	1.2
129.01839	1.1
133.02858	12.0
134.03604	1.1
135.04399	1.1
137.02399	1.7
147.04451	1.0
149.02324	3.3
150.03130	1.9
151.00261	3.8
165.05513	2.1
169.01410	2.2
175.03947	3.6
177.01852	1.3
179.10362	1.2
189.01913	1.1
189.05536	1.2
199.03853	2.6
211.13359	2.7
213.53568	1.4
217.04968	2.1
243.02753	1.6
267.93967	1.1
285.04047	100.0
286.04410	8.5
443.11765	1.8
604.02423	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29586	1.5
55.01721	2.1
57.03313	5.0
59.01248	10.5
65.90965	1.9
68.13045	1.7
69.36671	8.7
69.37106	10.2
71.01256	17.4
72.94736	1.6
72.99174	6.1
75.00752	21.1
78.91410	1.9
85.02823	19.9
87.00729	6.8
89.02306	3.5
95.01249	5.0
99.00751	13.6
104.56516	1.8
113.02332	26.0
117.01804	2.7
125.02319	2.0
129.01805	2.2
169.01294	2.9
175.02350	4.9
195.13913	9.1
197.15356	2.5
205.12283	5.3
208.39838	2.2
213.45157	2.0
215.83397	2.4
223.13373	35.8
249.06218	3.9
257.66055	2.1
277.21848	2.0
293.21252	17.6
348.18005	2.2
473.20102	2.9
543.28326	3.6
583.12164	2.3
749.41138	100.0
750.41681	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	749.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.1
57.03316	2.7
59.01249	17.8
61.98698	1.3
67.01750	1.1
68.99691	2.3
69.03307	1.1
71.01251	22.4
72.99171	6.3
73.02813	2.4
75.00748	24.2
80.91528	1.9
81.03301	1.2
83.01283	1.2
83.94869	1.0
85.02821	22.5
87.00772	7.8
89.02316	3.4
95.01260	7.1
97.02788	1.2
99.00758	18.6
103.00240	3.1
109.02860	0.9
109.06486	2.9
111.00766	2.1
113.02328	29.0
114.02652	1.0
115.00251	2.5
117.01802	2.9
123.26714	0.8
125.09593	0.9
127.11214	1.3
129.01839	2.6
131.25658	0.8
139.00262	1.3
153.09184	1.1
157.01311	3.9
163.11154	1.7
171.10191	19.1
171.19556	1.0
175.02412	6.4
181.08545	1.5
193.03467	1.4
199.09746	5.3
201.11241	4.2
207.10278	6.3
225.11279	6.9
231.05107	1.5
249.06245	5.0
255.23274	100.0
256.23663	7.1
421.17245	1.3
457.16983	1.4
487.29056	3.1
505.30203	9.3
506.30511	2.6
659.40088	28.5
660.40204	5.4
687.39636	21.4
688.39905	4.3
689.40533	1.4
713.41235	29.7
714.41559	6.9
731.42438	21.4
732.42548	6.0
749.42999	4.1
750.43237	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4477
Annotation	decarboxy-demycosaminyl-nystatin
Peak:m/z	Relative Intensity
59.01246	11.6
71.01250	6.0
72.99191	1.5
73.02813	1.1
77.51475	0.6
78.40292	0.6
78.95773	3.9
85.02816	4.4
85.99954	1.2
87.00694	0.8
95.56557	0.8
96.95907	1.4
101.02325	4.4
103.03890	0.9
131.03412	2.3
132.44971	0.7
134.17989	0.8
147.89494	0.7
150.14491	0.8
152.99527	0.9
167.10083	0.7
173.88425	0.7
182.10115	0.7
209.11739	1.0
229.51888	0.9
352.24020	0.8
394.95309	0.8
423.13263	0.9
453.33707	1.6
471.34775	1.6
731.44104	3.8
732.43909	1.1
743.47369	0.8
749.44769	100.0
750.45056	21.4
750.57843	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01723	0.5
57.03319	0.9
59.01252	7.6
71.01251	5.5
71.58841	0.4
71.59229	0.4
72.99214	0.5
73.02827	1.2
75.00697	0.5
75.93179	0.4
80.02566	1.9
81.03335	2.1
82.90564	0.4
83.01269	0.7
83.04900	6.6
84.02052	2.1
85.02817	2.7
87.00739	0.6
89.02324	3.5
95.01257	0.9
95.04899	1.5
96.95882	0.7
99.00772	0.7
101.02319	3.4
109.02808	0.6
111.00737	0.4
113.02352	2.7
119.03392	1.6
119.04957	0.7
121.02894	0.6
125.02332	2.8
125.05984	0.7
129.01764	0.4
135.04440	0.6
135.08026	0.7
137.02365	0.6
149.02325	0.5
150.03117	1.7
161.04478	0.5
163.03923	0.5
163.11194	4.9
165.05475	1.5
165.12744	3.2
169.01321	1.2
181.12288	0.7
187.13358	0.8
191.10721	1.4
195.06557	0.9
199.13344	0.5
201.14862	0.8
209.11771	100.0
210.12102	6.9
227.12845	35.4
228.13232	2.7
229.09972	0.4
359.28189	2.1
427.86273	0.5
519.31647	0.6
520.32404	0.8
521.33307	29.4
522.33618	3.4
523.19629	0.4
695.39856	0.4
749.28107	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70836	2.2
57.90208	2.3
59.01238	10.6
60.18217	2.0
61.98706	18.8
70.00511	3.8
70.00925	7.9
71.01262	6.0
72.99173	3.4
73.73538	2.1
75.00753	10.2
78.91769	3.4
78.95771	5.2
79.62720	2.0
83.04881	5.8
85.02822	2.5
88.98669	5.5
96.95898	5.6
101.02346	5.0
125.02353	18.4
137.02399	4.6
163.11211	6.0
165.12764	3.4
167.03488	2.2
169.01309	14.3
171.10165	2.2
179.05661	3.3
183.13820	7.3
209.11781	100.0
210.12138	5.2
211.13358	99.5
212.13693	5.3
218.88260	2.3
227.12801	17.6
235.08092	6.3
253.09242	8.7
291.19635	5.8
381.07556	2.2
447.22183	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	749.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	23.9
70.41517	4.9
71.01257	2.4
78.95760	2.3
94.02834	3.1
94.06527	2.9
106.06438	2.2
107.40276	1.8
108.04380	2.9
113.02352	2.4
121.02868	2.3
122.06007	14.8
124.04000	4.1
125.02333	4.5
134.03543	2.2
136.03915	6.1
137.04666	2.7
138.05498	4.2
144.04436	2.2
147.05496	2.2
148.07574	2.0
149.02350	5.8
150.03162	2.0
150.05464	5.3
152.01074	2.2
161.04686	2.1
164.04703	4.3
165.05368	2.8
167.03404	3.7
168.06622	2.5
169.01256	2.7
174.05472	3.9
175.05040	4.3
179.07037	4.7
201.10297	14.9
203.05820	2.4
207.06485	3.3
208.03664	3.7
213.10260	8.4
215.11865	4.0
223.06087	8.2
227.11929	4.0
229.09770	20.7
229.13361	8.8
236.09518	2.0
239.11807	8.4
241.09618	3.4
245.12871	3.3
247.10776	2.7
255.11351	4.5
257.12946	6.3
273.12344	3.7
283.10870	8.5
289.11838	5.2
301.11942	17.2
302.12173	2.3
309.12433	2.7
319.12988	100.0
320.13403	6.1
325.11929	3.6
327.13528	2.4
343.12677	2.7
346.11975	3.1
372.13467	4.2
377.13571	3.0
386.14880	7.3
388.16571	2.7
396.53915	1.9
400.16873	2.0
402.65402	2.1
403.15051	2.5
404.16083	7.9
405.16650	3.9
414.14307	2.5
418.13919	2.5
419.14438	2.7
432.15866	3.1
446.17249	5.0
527.22913	18.9
528.23181	3.1
551.22925	6.8
569.24036	57.6
570.24066	6.9
572.22644	5.1
587.24792	5.4
601.26569	2.7
613.23077	62.3
614.23163	9.4
629.26239	10.2
645.25702	44.6
646.25891	7.0
673.25073	15.0
705.27966	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	749.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	8.3
59.01251	32.7
60.60172	1.2
65.82047	1.4
68.99678	2.8
71.01250	44.2
71.59674	1.6
72.99171	9.7
73.02823	1.8
75.00745	22.6
83.01251	3.5
84.90135	1.2
85.02823	46.5
86.03150	1.8
87.00757	15.3
89.02318	9.9
95.01263	10.7
99.00753	14.5
101.02315	4.5
103.00259	4.4
106.99968	1.7
107.04893	1.9
109.02822	2.9
111.00773	1.8
113.02329	54.7
115.00250	3.1
117.01831	4.0
121.02821	1.5
125.02311	7.3
129.01796	3.7
129.06772	1.6
135.04419	1.4
149.02353	2.0
149.04474	2.2
150.03073	2.9
156.69337	1.3
157.01326	1.9
157.24564	1.2
161.13257	18.8
165.01842	1.9
165.05525	2.2
169.01314	4.1
175.02382	4.6
187.11240	13.8
193.03462	1.6
195.06563	3.2
195.42819	1.3
205.07111	6.2
205.12314	18.4
249.06181	12.6
267.07220	72.8
268.07599	3.5
314.07990	1.5
329.09775	1.6
364.61981	1.3
481.17087	7.7
482.17639	1.8
487.81888	1.5
499.18710	1.7
505.87207	1.6
532.09631	1.6
573.21637	6.3
697.30060	1.8
731.24567	1.9
749.25110	100.0
750.25562	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	747.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21193	1.7
57.03324	7.0
58.00450	1.6
59.01253	29.6
71.01257	25.9
71.58414	2.6
72.03602	1.5
72.99168	4.6
73.02834	3.0
75.00743	22.2
78.95784	3.6
81.60229	1.6
83.01245	4.2
85.02822	23.1
87.00744	6.1
89.02325	4.8
93.65429	1.8
95.01283	3.9
96.95898	2.0
96.96874	2.5
99.00767	7.4
101.02327	6.3
109.02836	2.3
113.02345	21.7
122.06010	3.7
125.02378	2.9
134.06033	1.5
173.04536	2.1
175.02390	4.1
189.51778	2.0
216.63582	1.9
268.33661	1.9
285.12244	1.9
292.08337	3.3
293.09457	2.1
293.12717	1.6
307.10822	6.0
308.11304	2.5
320.71628	1.9
350.09061	2.9
351.09894	4.4
369.70059	2.0
488.18393	4.2
520.20880	12.0
521.21210	2.2
548.20288	3.2
580.22992	5.2
611.24933	5.7
703.35492	100.0
704.35681	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	747.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32839	0.6
57.32800	0.5
59.01249	100.0
60.01575	1.1
69.40776	5.8
106.04124	5.0
108.02090	1.1
111.89069	0.6
119.85474	0.5
125.02314	1.2
147.08054	26.5
148.08435	0.7
149.05997	2.8
186.04179	0.6
191.07069	12.5
192.07578	0.7
209.08092	4.8
217.34373	0.6
251.09180	5.2
346.18002	0.7
355.61884	0.6
426.29581	0.6
451.33124	2.7
527.03979	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.9
59.01255	17.7
71.01259	22.0
72.59493	1.3
72.99167	6.7
73.02786	2.2
75.00748	23.1
78.08214	1.1
82.68971	1.1
83.01254	2.2
84.02034	2.8
85.02339	2.1
85.02823	26.9
87.00756	11.0
89.02325	5.2
95.01257	8.2
98.20654	2.3
99.00752	11.4
103.00236	2.5
113.02335	25.6
115.00253	2.8
117.01834	2.8
129.01785	1.6
163.11151	4.3
175.02354	3.6
209.11774	35.0
210.12099	2.4
213.36942	1.2
227.12811	3.6
249.06071	3.3
255.23265	100.0
256.23709	8.0
257.44318	1.4
505.30069	6.1
697.41736	2.2
715.42773	99.1
716.43018	21.1
747.45355	57.7
748.45569	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	747.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40467	4.5
54.83751	4.1
59.01243	18.3
71.34685	8.5
72.48632	4.7
72.92931	5.2
106.06508	6.5
122.05991	47.4
134.06021	9.6
152.76956	4.2
155.89288	4.3
174.05522	10.0
180.06552	7.6
188.07129	5.6
213.10231	22.5
215.11761	7.1
217.11731	4.9
223.08694	5.2
239.11864	23.7
241.13371	14.9
251.11816	6.5
264.08893	18.6
265.09808	17.0
267.11362	5.4
276.08829	5.5
279.11380	16.4
283.10757	10.9
285.12454	56.0
291.07819	9.6
291.11328	8.0
292.08459	16.0
293.09329	11.2
293.12973	6.5
306.09900	8.4
307.10889	52.1
308.11530	17.1
350.09042	22.7
351.09860	36.4
356.14066	7.8
365.11398	11.6
370.15628	10.8
382.11899	6.8
386.15002	5.8
389.09253	5.0
398.14905	10.5
412.16660	10.9
413.17575	9.0
429.17310	6.4
430.17520	19.3
433.16599	5.5
444.19315	22.9
473.24023	5.7
474.16608	30.6
488.18219	37.0
489.18481	6.1
493.22916	8.6
520.20801	88.3
521.21265	14.8
535.23462	65.4
536.23572	10.6
548.20331	12.7
567.26135	52.1
568.26227	10.2
579.22626	30.6
579.71472	5.1
580.22949	47.4
611.25140	100.0
612.25342	19.9
627.28186	8.0
643.27588	64.0
644.27679	11.5
671.27081	14.8
703.29846	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	747.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.4
59.01254	26.3
63.86303	0.3
65.00203	0.8
69.03308	0.5
71.01255	2.7
73.02821	1.1
75.00762	0.6
80.18262	0.3
81.03333	3.7
83.01269	1.5
85.02825	1.8
89.02331	0.4
95.04896	0.4
97.02829	0.6
99.00775	0.5
99.08039	0.8
101.02343	2.0
101.05982	0.6
107.01299	0.4
108.01868	0.4
113.02337	1.3
121.02870	0.5
123.04403	0.4
123.08047	2.0
124.01621	0.4
125.02349	4.6
125.05983	3.8
135.04466	0.5
136.05180	0.6
137.02310	0.4
141.09084	0.7
143.58081	0.4
147.08000	0.4
147.38370	0.4
149.02394	1.2
151.00308	0.8
151.92099	0.4
152.01070	0.9
161.04529	0.9
165.01801	0.5
165.09128	30.5
166.09418	1.7
179.07018	0.7
191.07103	1.1
193.08669	1.2
205.08649	1.2
209.08145	100.0
210.08508	4.8
211.08755	0.6
214.21622	0.4
221.08255	0.8
223.09695	2.2
231.01266	0.4
233.08160	29.6
234.08536	1.5
251.09235	10.6
263.09225	3.5
275.09329	0.9
281.10123	0.4
289.16602	2.5
311.11377	1.1
314.88644	0.5
331.17593	0.8
353.12341	0.7
371.13467	49.6
372.13892	3.2
373.13876	0.8
491.10425	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51938	1.2
59.01250	13.7
69.65866	10.5
95.04902	2.1
98.19994	3.0
98.20534	2.2
107.03654	1.8
110.05931	1.3
110.72389	1.5
119.89751	1.7
121.05248	1.5
122.06001	30.0
134.06085	1.8
158.05994	2.5
172.72522	1.8
195.53152	1.5
248.09477	2.2
249.10225	2.4
261.10245	4.4
262.11038	5.2
263.11768	8.6
264.12784	3.0
275.08270	2.9
276.09082	17.9
277.09784	4.6
278.10602	1.8
289.09796	2.5
290.10599	5.6
291.11349	35.8
291.14587	1.9
292.12070	6.3
293.12881	2.0
321.12418	9.8
322.13089	4.4
323.14001	23.6
324.11023	1.9
324.14392	3.2
344.17532	1.5
354.12454	2.9
355.13336	2.1
356.13855	3.4
358.15631	2.1
370.15488	8.4
371.16473	1.8
372.17117	4.8
382.11792	2.1
383.12656	3.4
384.13007	2.6
384.17239	9.2
385.17838	3.7
386.18921	10.8
398.15079	15.2
399.16037	2.1
400.16522	2.2
412.16727	11.8
413.17340	26.9
414.18295	11.9
416.16006	8.3
417.16635	2.3
430.17685	11.2
431.17975	2.7
444.19272	30.9
445.20096	20.7
446.20114	2.2
457.15784	2.1
488.18240	4.7
489.19052	68.1
490.19345	10.3
504.20889	2.2
520.21112	8.8
521.21417	1.8
535.23486	14.8
549.21082	6.7
567.26086	23.3
568.26691	3.5
579.22296	4.2
611.25055	100.0
612.25482	17.7
627.28278	1.9
643.27618	10.6
644.28552	2.7
671.27069	11.2
672.27026	2.5
680.31396	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.3
57.03307	1.7
58.00463	4.1
59.01252	100.0
59.86229	0.8
60.01609	1.2
66.32092	1.0
69.24516	1.1
69.54638	1.9
69.55053	6.9
71.01255	66.5
72.01570	1.4
72.99168	5.2
73.02806	2.4
74.35371	0.9
75.00734	1.8
76.36523	1.0
83.01250	2.4
85.02824	14.8
87.00761	5.9
89.02319	79.9
90.02662	1.2
90.14997	1.1
95.01282	5.1
101.02325	38.2
106.34776	1.0
109.02841	1.8
113.02328	25.9
115.51939	1.0
119.03394	35.6
121.02832	4.4
123.04362	1.0
125.02341	3.2
131.03406	4.7
133.02765	1.2
143.03398	5.7
145.02846	6.7
146.03685	1.9
147.04427	1.7
149.02380	2.0
149.04454	3.4
150.03099	1.7
161.02373	5.8
161.04454	5.5
162.03146	46.1
163.03749	3.3
165.05489	1.3
169.01353	1.3
175.03928	5.3
176.04614	1.8
176.68600	1.1
177.01917	1.5
177.05496	34.5
179.05542	18.0
180.04204	4.1
180.05739	1.1
188.04729	0.9
189.05505	2.2
190.06259	4.7
191.07089	3.6
193.04955	2.7
194.05783	3.1
195.06514	4.1
205.08618	4.2
207.06523	1.6
208.07399	2.0
278.92853	1.0
357.12338	2.3
359.15060	13.6
403.58957	1.3
405.78394	1.0
407.95480	1.0
537.21625	7.3
549.21326	3.1
747.28247	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16291	1.2
57.73481	1.1
59.01249	17.4
61.98701	2.1
69.03327	2.2
71.01249	4.8
71.14281	2.2
71.14629	1.1
85.02803	1.3
89.02332	3.1
101.02321	3.5
113.02326	2.1
122.61806	1.0
125.02332	1.6
144.42697	1.0
161.04420	1.5
167.10680	3.4
171.10349	1.2
179.10722	1.3
179.14345	3.9
183.13800	8.6
193.12309	1.8
195.13815	8.5
205.12259	8.4
211.13336	100.0
212.13698	6.0
223.13348	89.3
223.15596	2.9
224.13670	6.0
235.08189	3.7
245.46536	1.0
253.09221	7.3
264.65805	1.1
357.53314	1.2
429.21454	1.9
441.21136	3.1
447.22299	8.5
459.22336	14.0
635.34088	3.0
653.35284	2.3
655.95667	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	3.5
57.09488	1.0
57.89115	0.9
58.85884	1.2
59.63451	0.9
65.00192	2.2
69.46230	2.1
69.46644	7.2
75.16116	1.0
83.01265	3.3
95.01247	1.1
99.48360	1.2
101.72544	1.1
104.85166	1.2
107.01263	2.5
109.02831	2.5
111.07587	1.0
121.57079	1.1
123.00755	1.5
125.02343	28.2
137.02339	3.9
139.03923	1.6
143.04869	1.1
146.03632	35.3
147.00800	2.2
147.03958	1.3
151.00275	11.0
152.01073	2.5
153.01830	11.0
161.05988	26.4
164.04741	3.2
165.01860	5.4
167.03383	3.0
169.01292	2.2
175.00276	20.7
178.99774	13.8
179.07057	60.6
180.07382	1.6
181.01369	1.6
191.03450	7.1
193.01352	100.0
194.01740	3.6
215.03447	8.5
229.05022	1.5
233.04546	1.3
257.04489	6.8
269.70102	1.1
301.03519	16.5
319.04541	13.4
443.65155	1.2
510.00778	1.2
694.17554	1.4
696.67682	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85962	0.9
57.03312	1.4
58.00480	5.0
59.01255	100.0
60.01573	1.5
65.03805	0.9
71.01260	72.7
71.52963	0.9
72.92912	1.1
72.99182	6.0
72.99524	1.0
73.02819	1.5
75.00723	1.0
79.31342	0.9
80.32975	0.9
83.01276	2.9
85.02825	13.4
87.00760	4.5
89.02324	82.0
95.01259	5.6
98.19678	2.0
101.02333	30.2
113.02345	28.4
113.02914	0.7
114.02683	1.0
117.03353	2.2
119.03397	34.4
121.02832	3.9
123.04420	1.3
124.01516	1.1
125.02346	2.9
131.03409	4.6
133.02892	1.4
134.03598	1.6
135.04407	1.9
136.01570	12.5
137.02350	4.2
143.03377	5.8
145.02840	7.1
146.03693	1.5
147.04462	1.7
149.02377	2.2
149.04459	2.2
150.03110	3.5
151.00304	3.1
151.03918	12.8
161.02382	6.9
161.04478	5.6
161.05911	1.5
162.03148	75.3
163.03572	3.3
165.05527	5.2
166.02632	10.8
167.03410	1.4
175.03897	1.7
177.01901	2.0
177.05499	62.5
178.05876	3.0
179.05540	14.7
180.04236	2.3
180.07765	2.4
181.04990	8.7
187.03938	1.1
188.04684	1.7
189.05486	1.2
193.04987	1.3
195.06566	8.3
195.10165	1.3
209.11806	2.7
215.03365	1.8
216.04169	1.1
219.06613	1.3
227.12836	1.2
227.30569	1.1
257.08173	1.5
295.68799	1.2
357.13144	2.2
372.12198	1.6
387.14566	12.5
411.64673	1.1
473.12802	1.4
494.84692	1.3
535.19843	3.5
547.19635	4.4
548.20007	1.2
589.52368	1.4
641.22284	5.2
642.22900	1.5
685.21747	1.2
745.25110	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	745.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53016	0.6
55.01754	1.5
57.03324	2.6
58.00463	4.9
59.01250	100.0
60.01579	1.3
69.46656	5.4
69.47091	1.2
71.01254	71.8
72.01611	1.1
72.99181	5.9
73.02820	2.0
75.00739	1.0
83.01257	3.0
85.02820	12.1
85.03293	1.2
87.00748	6.1
89.02316	89.8
90.02629	0.6
93.03307	0.9
95.01250	5.6
99.00759	1.2
101.02322	35.8
108.02046	1.4
113.02331	29.4
114.02622	1.1
117.03340	1.9
119.03384	35.5
121.02839	3.5
122.03589	2.0
125.02374	3.3
131.03416	5.0
133.02818	1.7
135.04390	0.9
136.01558	13.3
137.02299	3.0
142.06781	0.6
143.03403	6.7
145.02847	8.8
146.03571	2.5
147.04340	1.8
149.02335	2.9
149.04439	3.0
150.02124	0.9
150.03127	11.4
151.00308	4.1
151.03915	12.4
152.01028	1.0
160.05170	0.8
161.02364	6.8
161.04437	6.1
161.05859	1.6
162.03140	31.4
163.03630	1.5
165.01776	0.9
165.05478	14.0
166.02641	14.0
166.05608	0.8
167.03258	0.7
169.01347	0.6
171.10127	1.0
175.03802	0.8
177.01863	1.9
177.04056	1.3
177.05493	19.5
179.05539	15.6
180.04251	3.2
181.04980	14.0
190.06215	1.4
191.03358	0.9
192.04228	1.4
195.06569	17.0
199.32140	0.7
204.30522	0.7
207.06430	1.0
209.11749	2.7
211.93378	0.6
223.05925	0.8
227.12752	0.9
355.11865	0.8
357.08929	1.0
357.13000	1.6
372.11859	1.5
387.14471	12.0
388.14691	1.9
414.93600	0.8
547.19629	8.8
569.10376	2.1
583.21509	1.6
698.46954	0.7
725.19843	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65379	0.9
54.11299	0.8
57.03326	12.6
57.32303	0.7
59.01241	0.7
59.63081	0.7
62.76427	0.8
62.91459	0.7
65.03870	0.7
66.69920	0.8
67.01740	0.8
69.82942	0.7
70.03722	0.7
71.32222	1.5
83.01260	2.5
83.60781	0.8
93.03371	0.9
93.40357	0.9
95.01283	1.7
95.04947	1.0
97.02815	1.4
105.03378	2.5
107.04874	1.2
109.02853	6.5
109.12845	0.9
111.04401	1.0
121.02864	1.4
123.00758	1.5
123.04387	1.9
124.01521	1.1
125.02338	100.0
126.02668	3.1
131.05014	1.2
132.02057	1.1
133.02861	3.9
137.02344	13.5
139.03886	5.0
145.02832	1.1
147.04445	1.0
149.02345	2.2
151.03914	6.5
159.04456	1.5
161.02350	32.4
162.02902	1.4
163.00269	2.3
163.03900	1.9
164.01060	3.2
165.01846	7.2
167.03427	5.3
169.01340	24.3
171.04460	0.8
173.05998	1.1
175.02495	1.3
175.03931	12.8
177.01874	14.8
177.05508	4.0
179.03513	4.2
183.04366	0.9
187.03990	1.1
189.01852	1.0
190.02559	1.3
193.01329	2.2
193.04997	2.9
199.03900	3.8
201.01865	2.1
201.05484	2.6
203.03438	2.5
204.04158	1.1
211.03961	1.7
213.05554	1.3
215.03416	2.3
217.04991	7.1
219.02872	3.6
219.06543	3.2
221.04509	1.5
225.05528	2.1
227.03511	4.8
228.03983	1.0
229.01440	4.7
229.04990	1.5
241.05046	1.9
243.02950	11.4
243.06650	1.2
245.04526	5.0
247.02469	0.9
255.02931	8.1
256.03629	2.6
257.04575	2.2
261.04062	2.5
269.04526	12.1
270.04938	1.1
271.06168	1.0
273.04086	2.2
283.02548	3.7
285.03967	3.9
287.05634	20.6
288.05817	1.9
289.07233	2.4
297.03995	3.2
299.05743	1.5
305.06680	23.9
306.06931	2.3
319.04623	1.1
331.04507	1.8
337.07065	1.4
345.06229	0.8
355.08588	0.8
379.08163	1.3
387.05048	1.3
405.05966	5.7
407.07809	5.8
413.08698	1.4
423.07214	44.2
424.07513	6.4
425.08478	2.4
426.09644	0.8
431.07382	1.3
441.08032	2.9
449.08777	5.3
457.07928	3.6
467.09763	6.3
468.10129	1.2
575.12030	4.7
576.12390	1.1
593.13202	6.8
694.00470	0.9
745.14001	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	745.1409
Annotation	Catechin-(4alpha->8)-epigallocatechin-3-O-gallate
Peak:m/z	Relative Intensity
57.03314	6.8
61.22165	1.0
69.52822	2.6
69.53230	7.4
70.75591	1.0
73.95910	1.3
81.03300	1.2
83.01246	2.1
93.03347	1.5
97.02806	1.9
98.19786	1.3
107.01271	1.3
109.02839	9.5
111.00790	1.4
121.02837	4.8
123.04395	4.9
125.02333	77.9
126.02682	3.2
135.04424	2.3
137.02341	12.8
139.03940	1.4
145.02853	4.3
149.02368	7.2
151.03911	6.2
159.04446	3.4
161.02361	2.2
161.06004	3.6
163.00252	3.5
163.03923	1.7
164.01082	1.7
165.01785	3.2
167.03432	1.6
169.01318	13.8
170.56621	1.0
175.00298	1.1
175.03896	5.1
176.01082	2.1
177.01857	69.8
178.02191	2.6
179.03468	2.1
185.06010	1.8
187.03908	4.4
188.04712	1.5
191.03445	1.6
193.01399	1.7
199.03873	2.3
203.07095	4.5
205.04971	3.9
211.03920	1.3
217.04922	3.3
222.10899	1.2
227.03392	1.8
227.07138	1.3
228.04208	1.6
229.05072	2.7
243.02925	8.6
245.08173	9.3
253.05038	2.8
255.02986	10.1
256.03735	5.0
257.04419	3.0
259.05945	2.0
261.04083	3.4
269.04639	1.3
271.06091	11.3
272.06427	1.3
273.04034	2.4
281.04480	1.5
283.02563	2.8
285.03989	5.7
289.07193	53.8
290.07422	4.4
297.04074	1.4
301.03473	2.6
303.05057	12.3
311.38895	1.3
315.05191	3.0
339.08414	1.4
381.09665	1.6
389.06549	7.8
390.07162	1.2
407.07706	100.0
408.08029	13.1
425.08759	2.6
441.08218	12.6
442.08755	1.3
449.08743	5.3
467.09790	12.6
468.10089	1.7
527.64185	1.4
559.08716	5.1
575.12140	4.8
577.10291	2.8
593.13159	10.1
594.13318	1.4
619.10822	3.4
745.13892	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	744.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.3
61.98705	100.0
71.01266	1.2
71.58698	0.7
78.95782	0.9
87.25100	0.4
89.02306	0.7
101.02340	1.1
152.99504	0.4
178.43758	0.4
233.70515	0.4
279.23080	0.4
281.24930	0.7
282.25308	0.5
283.26498	1.5
284.26727	2.2
285.27200	0.8
397.13641	0.9
398.14023	1.6
399.14133	1.9
400.14322	1.2
407.52017	0.4
417.15485	0.5
501.52701	0.4
532.67499	0.4
536.58911	0.4
536.78918	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.9
59.01250	5.9
65.15521	0.5
69.03317	0.9
71.01254	5.3
73.02827	0.5
78.95773	1.1
81.03326	1.3
83.01269	1.4
84.96367	0.5
85.02845	0.8
89.02335	3.5
93.03341	1.2
95.01281	0.8
95.04926	1.0
97.02841	2.6
98.03136	0.7
101.02333	2.0
107.01286	0.6
108.02054	0.7
109.02843	7.5
111.00722	1.2
113.02328	1.4
119.03381	1.8
121.02822	1.6
122.03590	1.7
123.00764	1.5
123.04400	4.3
124.01616	0.6
125.02333	65.0
126.02674	1.9
133.02856	0.6
135.04402	1.4
137.02335	7.6
139.00270	1.5
139.03918	0.7
140.01112	0.5
145.02846	2.4
146.03589	0.6
147.04478	0.6
149.01187	0.9
149.02335	6.4
150.01929	1.0
150.03127	10.1
151.00247	0.9
151.03909	6.0
159.04433	1.5
161.02374	1.1
161.04526	0.9
161.05981	2.6
163.03969	0.8
164.01065	1.1
164.04689	0.8
165.01912	2.4
165.05493	8.2
166.99762	1.4
167.03421	1.3
168.00563	2.0
169.01334	100.0
170.01721	2.8
175.03935	1.1
175.07542	0.7
177.01831	1.0
179.03426	2.2
179.05566	0.8
180.04150	0.7
183.04448	1.0
185.05983	1.3
187.03947	1.6
188.04704	1.4
193.01369	5.3
195.06548	4.6
197.05769	0.5
202.06335	0.6
203.07066	5.8
205.01390	0.8
205.05046	3.1
221.08183	1.0
224.05745	0.8
227.07060	1.1
231.02766	0.7
245.04514	0.8
245.08147	9.5
253.05074	1.5
259.06042	1.1
271.06189	4.6
287.05640	0.8
289.07169	40.4
290.07541	1.8
303.05167	2.4
321.02496	2.0
331.04599	1.2
339.12411	0.9
355.04724	0.5
357.13458	0.8
369.13321	1.2
441.08240	71.6
442.08569	8.0
522.22089	0.6
531.18964	0.7
535.19647	2.4
593.09357	39.6
593.16962	1.4
594.09595	6.2
697.25183	1.5
745.27167	1.0
745.46906	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	3.2
61.98701	3.0
69.26789	21.1
71.01247	6.8
78.95781	100.0
88.99824	2.0
96.96844	10.5
152.99506	56.3
163.11183	2.4
171.10176	11.9
181.12259	3.4
195.13823	9.8
197.11679	4.3
199.13231	2.3
201.11237	3.4
207.10152	4.3
211.13321	8.4
225.11244	8.6
248.69058	2.2
253.09245	3.1
277.21677	8.5
281.24881	29.6
282.25122	3.0
293.21252	7.3
295.22806	31.5
296.23074	3.0
311.22296	18.2
364.57275	2.3
431.22028	21.7
447.21384	24.6
448.21216	3.1
449.22968	5.3
465.22464	8.3
743.45148	57.6
744.45410	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75536	19.5
78.95786	60.5
99.87604	16.9
152.99480	48.0
171.10107	33.8
197.25146	19.2
225.11383	29.6
259.44687	21.1
277.21674	25.5
281.24774	100.0
295.40030	18.1
324.50558	21.2
412.81281	20.7
560.44916	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	743.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	13.0
61.69670	1.5
71.01256	3.9
89.02312	2.5
99.10263	1.5
101.02309	1.8
113.02348	2.2
125.02306	4.4
131.33603	1.3
141.01715	2.7
161.04480	1.7
169.01352	2.1
171.10181	100.0
172.10547	4.4
195.13863	2.4
209.11783	7.1
210.12093	5.0
223.13477	1.3
235.08209	4.8
253.09254	10.3
274.24088	1.3
274.77090	1.5
275.20099	5.0
277.21777	3.1
293.21231	35.3
294.21588	3.5
295.22760	3.9
296.23117	4.2
297.23285	1.6
299.01370	1.6
323.09720	1.6
381.82578	1.7
407.19327	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	743.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27702	1.2
59.01236	2.6
61.98698	1.1
71.01261	1.3
73.61603	1.2
77.55731	1.2
78.95778	100.0
88.30398	1.3
91.34292	1.2
96.96842	8.9
98.20528	1.8
99.08031	2.3
108.37004	1.1
109.39673	1.2
113.09606	1.5
119.59889	1.1
129.09073	1.6
131.60812	1.1
134.98427	1.3
136.31700	1.2
148.51093	1.0
152.99495	53.6
171.10172	5.3
181.12199	2.5
195.13861	9.2
197.11736	5.0
199.13249	1.8
201.11275	1.5
211.13318	4.9
220.23682	1.1
225.11295	4.6
229.23502	1.5
253.09145	1.8
275.20261	1.6
277.21698	7.6
281.24817	11.8
293.21127	5.4
295.22766	27.4
296.23141	3.0
311.22269	16.7
431.22015	18.3
447.21527	24.7
448.21460	2.0
449.22992	6.3
465.22549	5.5
743.45056	48.0
744.46130	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	743.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.5
57.03330	0.7
59.01252	100.0
60.01579	1.0
69.92214	0.9
71.01252	9.9
71.86193	0.2
72.99200	0.3
73.02823	3.3
75.00745	0.4
83.01247	1.7
85.02825	5.0
87.00774	0.3
89.02312	1.2
93.83885	0.2
94.51864	0.2
95.01295	0.6
97.02837	0.5
99.00762	1.3
101.02328	7.7
102.02646	0.3
113.02335	4.7
113.03068	0.4
119.03395	0.3
121.02925	0.3
123.04432	0.3
124.12038	0.2
125.02354	2.0
128.36580	0.2
136.58426	0.2
137.02319	0.3
138.06793	0.9
143.03419	0.7
153.09109	1.9
159.02948	1.3
161.02428	0.3
161.04465	6.2
167.03467	1.0
169.01385	0.6
177.01976	0.2
207.06442	0.3
207.13782	0.3
225.07634	1.6
225.14917	3.7
269.10294	11.6
270.10782	0.8
285.03995	0.2
301.03391	0.2
311.11371	7.0
312.11884	0.4
355.10370	0.5
387.20230	2.9
388.20859	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.5
60.99181	16.6
61.26430	1.1
61.98707	2.2
63.27052	1.1
71.01286	1.4
75.00787	1.1
87.00796	2.2
88.00285	1.8
88.98682	100.0
89.02322	11.6
125.02346	1.8
145.57111	1.0
171.10201	5.7
201.11292	5.1
202.11665	2.6
209.11819	11.6
210.12044	5.8
211.12430	1.5
240.75258	1.1
253.09285	3.1
277.21707	6.3
278.22089	6.0
279.22330	1.7
293.21298	4.7
403.35928	1.2
450.11725	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	6.3
59.01255	35.0
61.50882	1.3
61.98690	1.3
62.32597	1.6
68.30083	1.3
69.37125	9.5
69.37538	4.2
70.06605	1.3
70.47456	1.4
71.01252	30.8
72.99189	7.8
73.02827	3.4
75.00755	28.8
83.01270	4.3
83.27885	1.4
85.02828	32.5
87.00751	6.5
89.02309	7.9
93.03319	3.1
95.01237	3.6
96.95893	3.6
97.02838	3.2
99.00764	8.1
101.02306	7.0
109.02840	8.9
110.54482	1.3
113.02340	30.8
115.00270	4.0
119.03450	1.9
119.04963	1.6
121.02856	11.2
122.03615	5.4
122.39528	1.6
123.04430	2.6
124.01569	1.6
125.02358	14.4
129.01842	2.4
134.03586	1.9
135.04388	3.1
137.02333	8.5
142.30273	1.5
147.04436	5.0
149.02333	2.7
149.05946	2.0
150.03105	4.4
150.06752	1.7
150.96146	1.6
151.03862	1.6
159.04408	1.5
160.01576	2.9
161.02411	3.3
161.05951	2.7
163.33220	1.6
165.05486	22.5
169.01308	3.7
171.10196	2.3
175.02574	2.7
175.03922	3.7
177.01842	2.7
179.07103	5.8
195.06554	2.8
199.09860	1.5
201.11308	2.6
205.05057	1.9
207.10176	2.7
209.08186	3.8
209.11745	9.4
225.11305	4.2
264.60046	1.8
271.05911	2.4
279.12378	1.7
289.07156	2.8
301.03583	3.8
315.12338	1.7
346.14224	4.9
355.27011	1.4
360.66364	1.5
361.16565	70.1
362.16925	6.3
461.39401	1.8
471.16956	2.0
495.36707	3.3
547.25659	3.1
581.14270	2.2
699.28699	100.0
700.29053	19.7
710.92401	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97002	1.5
57.03314	5.9
59.01249	4.9
68.91458	1.3
70.76576	2.6
70.76924	3.1
71.01258	6.0
72.99184	2.0
85.02824	47.5
85.03345	2.3
89.02303	1.3
96.96841	2.0
98.20476	1.2
111.00748	1.4
125.02356	11.1
129.01836	4.0
133.01303	3.6
135.04376	1.7
137.02324	2.3
147.02948	3.6
149.02451	1.4
161.02403	1.9
169.01317	1.7
177.01884	2.5
191.01872	13.7
201.66092	1.3
209.02975	100.0
260.59061	1.4
301.03314	1.6
371.06268	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	743.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47837	0.2
55.67607	0.2
57.03315	0.6
59.01249	0.8
65.00198	0.6
71.01245	0.3
71.57414	0.4
81.03334	3.3
83.01215	1.1
96.95881	0.2
105.59061	0.2
107.01242	0.5
120.55094	0.2
122.03641	1.6
123.04408	0.4
123.08028	1.5
125.02337	5.7
125.05970	2.9
128.49567	0.2
133.01324	0.5
137.02336	0.3
137.09566	0.2
148.01492	0.2
149.02338	0.7
151.00204	1.3
165.09116	21.5
166.09483	0.9
167.03468	0.3
172.20934	0.2
191.07043	0.8
205.08707	0.4
209.08127	100.0
210.08463	6.2
233.08214	0.4
233.57225	0.3
251.09210	0.8
268.71768	0.2
371.13458	10.4
372.13721	0.7
400.09970	0.2
422.17029	0.2
440.57776	0.3
488.10135	0.3
743.31555	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82890	0.6
59.01249	2.8
62.99551	0.7
64.03816	0.7
65.00243	0.7
69.64374	5.4
107.01272	1.2
117.84084	0.7
132.56827	0.8
133.02840	2.6
145.20691	0.7
151.00278	1.3
175.03925	1.5
227.03528	1.4
256.03769	1.9
284.03262	40.0
285.04025	78.5
286.04315	6.0
327.05209	0.9
447.09305	100.0
448.09772	9.2
465.07529	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	8.9
59.01250	4.9
67.87217	1.5
69.03331	2.8
71.01252	3.5
71.94576	1.3
80.69518	1.6
81.03368	1.7
83.01283	4.1
85.02827	2.4
91.55595	1.3
93.03327	3.0
95.01300	3.7
95.04887	2.0
97.02856	3.4
101.02328	1.8
107.01288	3.0
107.04899	1.8
108.59911	1.6
109.02846	23.3
111.00791	2.3
113.02294	1.7
114.05501	1.8
121.02849	4.8
122.03646	1.7
123.00811	4.8
123.04414	9.6
123.05176	1.6
124.01558	4.4
125.02339	94.4
126.02697	3.3
131.04984	1.6
133.02869	2.7
134.03639	2.3
135.00815	1.8
135.04407	5.6
137.02345	30.0
139.03972	2.7
145.02867	5.9
147.00777	16.0
147.04440	4.7
148.01529	1.8
149.02383	11.9
150.03108	3.0
151.03923	11.3
159.04416	4.4
161.02351	17.8
161.05981	3.7
163.00290	41.1
163.03946	4.4
164.01085	9.5
165.01839	18.7
166.02573	1.8
167.03424	6.2
168.91817	1.6
169.01360	42.5
173.02333	2.0
173.06029	1.9
174.03096	2.8
175.00296	40.8
175.03914	6.9
176.01059	7.2
177.01848	29.1
177.05370	1.8
179.03426	5.7
183.04422	3.7
185.06026	3.1
187.03902	9.6
188.04626	2.2
189.01869	4.8
190.02591	5.8
191.01781	2.0
191.03433	25.1
193.01419	4.9
199.03931	4.8
201.01865	5.4
201.05562	3.3
203.03429	5.1
203.07062	3.1
205.01404	4.3
205.04994	6.9
211.03934	4.8
212.04539	1.9
213.05531	3.9
214.02596	4.4
215.03441	13.2
217.01512	7.9
217.04993	2.6
219.02940	4.3
225.05424	1.8
227.03380	7.3
229.01363	1.7
229.05084	6.8
229.72830	1.9
231.03015	3.7
233.04451	7.9
239.03560	2.2
240.04245	1.5
241.05075	2.8
243.02982	13.7
244.03484	1.7
245.04521	2.2
245.08168	6.8
249.05641	1.6
253.05029	3.3
255.02977	15.4
255.06708	1.8
256.03741	5.2
257.04547	13.0
259.02405	2.5
261.04028	1.9
267.03207	2.4
269.04596	8.0
271.02530	4.3
271.06192	8.1
272.03152	2.4
273.04111	8.3
277.04874	1.6
279.03043	1.8
281.04410	3.0
283.02554	8.9
285.04153	7.7
287.02130	2.8
287.05426	2.6
289.04016	3.1
289.07187	34.4
290.07550	2.4
297.03970	3.0
299.02057	5.7
299.05338	2.6
300.02744	12.9
301.03531	100.0
302.03836	9.1
303.05130	6.7
306.00436	1.5
307.06122	2.5
309.04089	4.1
313.03659	12.8
314.04022	2.5
319.05994	2.1
323.05597	11.3
325.03497	2.4
327.05099	12.0
335.05539	2.0
365.06641	3.5
382.09195	3.3
389.06580	6.1
403.04388	2.6
405.06247	2.2
407.07755	25.0
408.07968	3.5
427.06577	2.4
434.06546	3.3
435.07123	7.4
439.06726	46.8
440.07169	5.4
441.08377	5.9
447.07211	17.2
448.07541	2.5
452.07529	12.4
453.08316	19.0
465.08258	43.2
466.08374	2.7
487.10522	2.3
497.16028	2.3
505.10052	4.2
527.16284	1.9
529.11578	2.0
547.12610	2.1
555.09406	19.1
559.09509	2.1
573.10419	16.9
574.11029	2.4
587.18958	10.1
591.11407	64.4
592.11774	7.4
604.08881	2.8
605.09161	2.9
617.09277	2.6
659.11420	1.5
670.52130	1.6
699.15851	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	741.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12262	0.9
59.01235	6.1
61.98702	5.5
70.16502	3.8
71.01254	5.8
73.02821	1.4
78.95784	1.0
81.03336	1.5
83.04906	3.6
85.02809	1.3
89.02320	3.1
97.87817	0.9
98.75845	1.0
101.02341	3.6
102.36333	1.0
113.02354	2.7
125.02377	1.1
125.09607	2.9
127.11176	2.1
128.45709	0.9
138.46823	1.2
143.03340	1.0
143.98160	0.9
161.04391	1.5
163.11198	2.0
165.12769	1.7
171.10214	2.8
201.11266	42.6
202.11589	2.1
209.11774	86.6
210.12152	5.3
227.12872	10.6
235.08107	5.7
253.09262	15.0
277.21716	100.0
278.22147	8.9
311.63425	1.1
399.14236	1.2
421.24222	1.1
437.20041	1.2
513.30865	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	5.6
70.28146	1.4
81.03321	2.4
83.01269	3.0
83.14587	1.3
89.73351	1.4
93.03358	1.8
95.01262	3.4
97.02839	3.2
98.19742	2.9
107.34285	1.3
108.02043	1.5
109.02837	17.1
111.00827	1.3
119.01315	2.4
119.04985	1.5
121.02827	4.4
123.00747	3.2
123.04416	8.3
125.02346	70.0
126.02625	1.8
133.02869	2.7
135.00755	2.9
135.04372	4.1
137.02347	25.5
138.02792	1.2
139.03900	1.8
145.02837	5.3
147.00764	13.8
149.02332	9.7
150.03154	3.3
151.03911	7.9
159.04448	3.5
161.02353	11.3
161.06004	1.9
163.00285	38.6
163.03929	3.4
164.01125	7.0
165.01846	16.6
169.01346	26.9
175.00290	42.1
175.03760	6.7
176.01016	6.4
177.01862	27.2
178.02391	1.9
179.03404	2.7
185.05937	1.7
187.03934	7.4
188.04660	2.1
189.01828	3.6
190.02650	3.2
191.03448	22.4
193.01375	4.4
199.03938	2.9
201.01852	4.3
201.05505	4.2
202.99692	1.6
203.03389	2.7
203.07082	6.1
205.01334	3.9
205.04987	5.8
211.03891	3.9
213.05359	2.2
214.02687	1.9
215.03432	14.5
217.01399	6.3
217.05048	2.0
218.02232	2.0
219.02950	2.8
219.06685	1.4
225.05437	2.1
227.03436	7.6
228.04106	1.7
229.05078	4.9
231.02953	2.6
233.04381	7.4
239.03455	2.8
241.05042	2.9
243.02913	10.5
245.04482	3.0
245.08221	6.9
251.03459	1.9
253.04990	2.5
255.02937	11.6
256.03735	4.8
257.04419	10.5
258.05087	1.8
259.02496	3.0
259.06262	1.6
263.03690	1.5
267.02884	1.6
269.04529	6.4
270.05231	2.0
271.02322	2.8
271.06168	7.1
272.03091	1.9
273.04037	5.5
281.04544	5.0
283.02417	5.9
285.04025	5.8
287.05591	3.7
288.02615	1.8
289.07138	28.9
290.07568	2.5
295.02545	3.0
297.03964	3.4
299.01917	4.6
299.05496	2.6
300.02881	10.1
301.03510	100.0
302.03888	8.3
303.05038	5.0
309.04028	4.5
313.03519	11.0
323.05557	6.6
325.03638	3.2
327.05145	14.3
335.05719	2.1
389.06680	6.1
403.04709	2.2
404.05081	3.0
407.07690	23.7
434.06168	2.3
435.07129	5.7
439.06668	35.2
440.07004	6.1
441.08224	5.0
447.07239	17.6
452.07355	9.8
453.08240	16.5
454.08530	2.4
465.08286	41.0
466.08505	4.8
487.10782	2.7
524.14984	1.5
547.12457	2.1
555.09393	14.3
556.09906	2.7
573.10449	12.0
591.11499	53.5
592.11914	8.3
605.09192	1.8
617.09412	2.0
743.12347	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	741.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.9
59.01239	2.8
59.45945	0.6
60.48519	0.6
62.09179	0.7
66.84254	0.6
69.87744	1.4
69.88158	2.4
71.04913	0.8
78.95779	100.0
83.04913	0.9
91.21233	0.6
96.96854	6.7
97.06464	0.9
113.09599	1.4
113.75787	0.7
115.86710	0.6
116.53842	0.6
134.98428	1.3
150.97899	0.7
152.99496	52.3
153.99925	1.1
171.10211	0.9
179.14325	1.1
181.12184	0.7
195.13841	14.0
196.14233	1.0
197.11800	2.2
211.13338	1.3
214.97922	0.7
221.15454	1.3
223.13402	1.1
227.12883	0.7
227.26904	0.6
251.00925	0.6
277.21716	7.7
291.19632	5.0
293.21265	2.4
295.22787	35.4
296.23090	3.6
309.20709	8.5
311.22241	1.7
345.09683	0.7
401.48557	0.6
429.20416	0.9
431.22037	22.2
432.22342	2.4
445.19980	17.2
446.19742	1.4
447.21539	3.0
449.23145	7.2
463.21097	3.6
477.01416	0.8
565.27264	0.7
712.36536	0.8
741.43512	38.7
742.43726	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	741.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	1.1
59.01254	2.4
61.98714	2.0
63.14030	0.7
71.05742	1.5
71.06082	1.1
76.74459	0.7
78.95777	100.0
80.96223	0.8
96.96840	10.9
111.08025	0.8
113.09586	1.7
125.09625	2.3
126.05491	0.7
129.00845	0.7
134.98413	1.5
139.11140	1.0
144.46480	0.7
150.97937	1.4
152.99490	53.4
169.12273	0.7
171.10152	5.2
181.12277	1.5
183.13841	1.4
187.09795	0.8
193.12321	1.0
195.13866	5.6
197.11739	4.7
209.11731	0.9
211.13347	3.3
223.13251	1.0
241.01138	1.1
253.04056	0.9
255.23401	0.8
275.20200	2.5
277.21750	5.3
279.23270	1.2
291.19659	2.2
293.18042	1.5
293.21213	13.7
294.21588	2.5
295.22775	16.3
296.23288	1.4
309.20673	3.7
311.22241	7.0
429.20471	9.9
430.20529	1.2
431.21985	9.0
445.19998	10.1
446.20111	2.2
447.21432	13.3
448.21649	1.0
449.22922	2.5
463.21167	4.3
465.22458	2.4
741.43463	36.7
742.43756	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	741.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	2.4
59.01251	9.9
64.79996	0.6
67.06129	0.7
69.03320	1.2
69.69470	5.4
71.01253	8.0
73.02805	1.7
78.95802	1.9
82.10386	0.6
83.01242	0.8
83.04918	1.1
85.02840	2.9
86.38519	0.7
87.00745	0.7
89.02339	3.1
95.01245	0.8
95.04916	1.8
96.49081	0.7
97.02843	1.1
97.06471	4.9
101.02330	4.8
101.99247	0.7
105.29207	0.7
111.08054	2.6
113.02354	2.9
119.03365	1.5
125.02347	1.8
145.05009	1.0
151.11197	15.5
153.12772	0.9
158.00174	0.7
161.04459	2.0
163.11226	1.1
165.12781	1.3
169.12273	100.0
170.12645	3.9
171.10158	2.7
181.93771	0.8
185.11797	0.8
195.10222	2.4
197.11766	13.7
209.11783	8.9
210.12163	1.8
211.13315	2.5
213.11282	13.8
214.11609	0.9
226.75917	0.7
227.12903	2.4
235.08226	3.0
253.09251	4.6
275.88480	0.8
291.19684	5.1
292.20117	0.9
293.21194	1.2
294.21387	1.4
295.22742	3.4
309.20786	6.8
311.22543	0.9
324.13260	0.7
326.31268	0.8
327.21759	1.0
346.52597	0.9
398.69998	0.8
401.16458	0.9
431.19418	3.7
449.20319	9.6
459.86084	0.8
734.88135	0.8
741.40686	91.0
742.41003	18.1
742.65161	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48781	1.6
53.57780	1.7
59.01252	2.9
69.80730	11.3
70.17473	1.6
71.01248	2.8
71.55976	1.9
85.02802	2.1
98.20506	2.0
101.02337	1.7
151.22723	1.9
163.11237	2.3
165.12737	2.1
209.11781	100.0
210.12128	5.2
227.12856	24.7
235.08115	2.2
253.09303	5.7
315.14371	1.8
445.20728	5.4
492.72913	1.9
741.34320	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	741.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	5.0
58.00491	1.7
59.01251	12.4
61.98709	2.7
70.10935	8.3
71.01260	11.4
73.02802	2.0
78.95785	3.2
80.54144	2.0
83.04911	3.4
85.02829	2.2
89.02318	3.2
97.06476	5.7
101.02316	6.0
104.91073	1.6
111.08075	5.0
113.02325	4.9
121.02863	3.5
125.02300	3.3
151.11209	16.4
161.04428	2.8
165.01892	2.2
165.12865	2.4
169.01297	2.4
169.10823	3.9
169.12268	64.3
170.12558	3.4
171.10190	3.9
174.47296	1.7
179.79779	1.9
185.11768	16.7
195.10101	2.3
195.13844	5.2
197.11754	23.0
198.12206	3.2
199.13371	3.3
209.11794	36.5
210.12061	3.9
211.13339	7.9
213.11255	12.1
227.12846	11.2
228.13087	2.9
253.09195	11.3
277.21802	6.3
279.19754	2.0
291.12457	2.1
291.19611	6.1
293.21201	9.4
294.21512	4.1
295.22784	28.5
296.23032	2.3
309.20810	10.5
384.58597	2.1
427.30142	1.9
431.19464	2.1
449.20163	5.4
460.03540	1.9
470.75681	2.4
626.28156	2.4
732.20520	1.9
741.40796	100.0
742.41095	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54413	2.0
55.10231	2.1
57.03325	4.5
57.68408	2.1
59.00992	2.3
59.01252	28.3
68.54821	2.4
69.12038	2.0
69.29874	2.5
69.50233	18.9
71.01249	18.6
72.99175	4.2
73.02800	8.9
75.00734	9.5
83.01263	6.7
85.02824	21.5
87.00753	58.8
89.02298	10.3
95.01252	5.8
99.00748	5.2
101.02315	12.8
109.02836	7.3
113.02299	10.4
119.04974	5.0
121.02798	2.9
122.54596	2.2
123.00734	4.1
124.01528	3.0
125.02338	28.0
126.02628	4.1
135.04407	4.4
136.01567	3.1
137.02339	13.7
138.03091	2.8
139.03935	3.6
141.05339	2.3
145.02759	3.0
149.02307	6.2
149.04332	2.5
150.03062	3.7
151.00278	22.8
151.03877	7.1
153.01846	5.2
153.05457	2.5
163.03879	2.9
165.01891	3.1
165.05492	3.9
166.01262	4.4
166.02623	71.1
167.03302	7.2
169.01303	9.9
175.03853	8.8
177.01860	16.6
177.05515	2.9
178.02258	6.8
179.03525	2.6
181.03415	5.1
181.04996	100.0
182.05319	2.8
187.03857	3.0
189.05368	3.1
191.01811	3.6
191.03340	8.2
191.17125	2.7
193.05029	2.6
203.03474	3.3
205.04942	7.3
206.05658	7.5
207.06566	3.5
217.04883	3.5
219.06512	3.2
220.07317	3.8
221.08086	8.0
233.07971	2.5
249.05994	3.4
267.07040	5.8
289.07196	2.8
303.05130	2.6
341.10184	2.3
382.45169	3.3
383.11801	2.6
387.10559	20.1
387.14722	2.9
399.14575	5.6
402.00793	2.8
402.13443	11.2
408.07709	3.8
409.08325	3.0
417.15506	36.5
418.15744	3.9
623.23578	3.1
635.23700	3.2
643.83643	2.7
653.24481	47.6
654.24799	6.8
741.25848	92.9
741.38086	5.1
742.26447	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	741.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81786	1.6
57.03326	6.9
58.12022	1.7
59.01249	70.7
64.14402	1.8
70.23787	7.9
71.01252	3.0
72.99182	2.6
87.00767	4.8
93.03372	3.9
93.96355	1.5
96.95866	6.4
101.02361	3.2
109.02865	2.9
113.02393	3.6
119.08569	4.7
121.02840	3.2
123.04427	1.7
123.95935	1.6
125.02325	21.6
133.02818	1.7
135.04420	1.8
137.02365	5.7
137.09612	12.4
139.00259	2.3
149.01099	10.6
149.02353	20.1
150.01851	7.2
150.03014	3.2
151.03896	2.5
152.01082	7.2
160.73526	1.7
161.02367	2.0
161.09659	3.0
163.02641	2.7
163.03883	6.4
164.03426	5.5
164.04706	12.7
167.03424	5.4
169.01288	10.1
169.04924	3.3
177.01869	4.3
179.07118	8.7
179.10670	6.6
181.08629	14.3
182.04568	4.9
193.01370	14.9
194.02026	2.0
197.11783	33.6
198.12170	2.1
206.04559	3.3
208.03732	41.9
209.04495	7.6
223.06088	100.0
223.09729	7.8
224.05562	20.0
232.13509	1.7
241.10846	20.5
289.07132	2.2
357.09845	6.0
371.96436	1.8
387.10898	3.3
408.08191	2.1
412.45905	2.3
499.14435	5.4
517.19867	18.3
518.15204	2.3
724.23840	2.3
741.26111	55.1
742.26624	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	741.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	2.8
70.87195	0.6
70.87533	0.3
77.03840	2.9
78.95774	0.9
88.34002	0.3
90.99721	0.2
93.74368	0.2
98.19952	0.4
98.20473	0.3
104.72941	0.3
121.02843	100.0
122.03162	2.5
141.01625	2.7
152.99565	0.4
165.01842	68.3
166.02182	2.1
178.90459	0.3
180.05721	0.7
181.06517	2.6
184.75594	0.2
191.03441	1.9
191.04944	0.4
209.11723	0.4
225.05452	1.8
313.07159	2.1
357.06122	10.3
358.06445	0.7
549.10236	0.3
575.12659	0.3
741.14832	3.8
742.15411	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19876	1.5
57.03325	3.7
59.01259	7.6
67.59931	1.3
69.03344	2.9
69.34968	1.4
69.42326	1.2
71.01259	7.3
71.59772	2.5
72.99190	1.9
75.00750	3.1
76.63726	1.5
81.03340	2.4
83.01267	4.2
85.02833	9.1
87.00773	8.5
89.02300	2.2
95.01250	4.7
97.02820	5.0
99.00776	1.9
101.02328	3.2
107.01308	1.9
108.02095	3.6
109.02834	4.8
113.02335	6.5
116.55692	1.5
121.02777	1.7
123.00774	14.1
124.01575	26.9
125.02348	50.8
126.02683	3.0
126.52821	1.4
133.02905	1.8
135.04407	4.8
137.02367	15.8
139.03958	2.4
143.04932	1.9
145.03024	1.7
149.02341	2.5
149.99495	35.8
150.03058	2.9
151.00308	8.7
151.03905	2.5
153.01843	6.5
159.04442	4.8
161.02345	3.4
163.00288	1.8
163.03850	2.4
165.01891	4.6
165.05386	2.0
166.02618	12.3
167.03435	3.4
167.99141	3.4
168.00571	61.5
169.01347	28.7
170.01630	1.9
171.04448	5.1
173.02437	2.5
174.03169	5.4
175.03970	5.7
177.01888	5.2
179.03429	3.4
181.04964	13.5
183.04527	2.3
187.03964	7.9
188.04723	8.5
189.05531	11.8
191.01872	2.6
191.03433	2.3
197.02431	2.0
198.03185	3.5
199.03954	16.3
201.01932	2.0
203.03407	6.4
205.05031	2.3
209.02959	4.1
214.02661	2.6
215.03532	11.0
216.04251	5.6
217.05052	13.9
219.03009	3.2
225.05562	2.3
226.02710	1.7
227.03470	48.6
228.03816	2.3
229.05103	2.0
231.02725	1.9
239.03403	2.0
243.03001	10.0
245.04570	10.9
249.06081	1.6
253.05035	2.5
255.03059	2.6
257.04803	2.3
261.04022	1.9
267.07281	2.0
269.00955	2.2
271.02524	9.5
272.02997	1.9
277.04987	2.2
278.05466	1.7
281.04575	3.5
283.02634	1.9
285.04019	1.9
289.07098	1.9
313.05780	6.2
331.06784	11.9
337.07169	2.4
365.06512	3.3
383.07892	1.6
387.10733	2.8
395.53189	1.6
402.13449	2.2
405.08472	1.9
409.05618	2.5
417.15445	4.2
447.11713	3.4
489.13010	1.7
541.10162	1.9
603.10071	15.6
604.10632	2.5
653.24011	7.7
657.57410	1.7
697.14374	5.1
741.13367	100.0
741.26239	17.0
742.13519	22.4
742.25598	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	740.4928
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31221	0.2
59.01252	4.1
60.01590	0.4
61.01664	0.2
61.98703	100.0
63.22452	0.2
73.23167	0.3
81.03338	1.4
82.03693	0.4
83.04901	3.7
84.05231	1.1
98.19740	0.4
108.89958	0.3
116.78451	0.2
184.53146	0.3
187.77805	0.2
224.17744	0.4
225.16020	1.6
226.16351	1.7
227.16724	0.7
279.57172	0.2
451.33771	0.3
452.33521	0.7
453.33820	1.0
454.34244	0.5
460.70886	0.3
677.50104	0.6
678.50018	3.6
678.59314	0.3
679.50244	15.7
680.50537	20.6
681.51398	0.8
740.49835	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52711	1.1
57.03298	1.1
59.01260	9.5
61.98705	2.2
65.31473	1.0
69.03323	1.1
70.96956	2.3
71.01251	9.7
72.99182	1.8
73.02825	2.8
78.95781	27.4
83.04893	1.5
85.02823	3.3
87.00734	2.5
89.02323	2.9
95.04931	1.3
96.96804	2.5
97.02797	1.4
99.00767	3.8
99.92490	1.2
100.99073	1.2
101.02316	5.1
109.06471	4.1
113.02325	3.8
125.02316	2.1
125.09615	3.3
143.03496	1.2
151.18649	1.3
152.98320	1.4
152.99496	16.2
161.04459	2.0
163.11185	5.7
167.10728	1.2
171.10194	45.2
172.10477	1.5
181.12338	2.7
189.09169	1.3
195.13808	1.5
197.11781	8.2
198.12152	1.3
199.09602	3.4
199.11729	1.1
199.13319	6.5
201.11261	14.1
207.10190	16.3
209.11775	5.8
211.13304	3.8
215.12825	3.6
225.11263	33.8
226.11609	1.5
227.12875	2.9
235.08151	6.2
243.12354	5.5
253.09273	12.4
264.24152	1.2
277.21725	100.0
278.22018	7.9
279.23260	3.0
289.18314	1.8
291.19592	1.3
293.21292	8.5
295.22781	5.1
308.63989	1.2
309.20651	2.6
429.20493	3.5
443.18930	4.3
445.20032	5.3
461.20151	6.0
463.21185	1.6
465.59976	1.2
466.53122	1.1
504.09033	1.1
533.07941	1.2
721.42010	5.1
739.42163	32.4
740.42902	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	739.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.6
58.27830	0.8
59.01254	8.4
69.03326	0.9
70.10812	2.3
70.11224	2.0
71.01257	9.1
71.04877	2.3
73.02816	2.2
74.46538	0.9
78.95794	8.0
83.01254	0.9
83.04905	1.1
85.02813	2.8
85.68122	0.8
87.00753	2.2
89.02295	3.6
95.04886	1.6
97.02817	3.7
97.06473	2.1
99.00760	11.2
101.02318	5.2
109.06453	2.7
110.03596	1.8
113.02314	3.6
119.03401	1.2
123.08042	1.5
125.02293	1.2
125.09644	5.6
127.11160	1.4
136.05261	1.3
142.02640	1.6
143.03395	1.5
145.10164	0.9
151.11208	1.0
152.99500	3.7
155.10703	0.9
161.04437	1.6
163.11214	7.6
164.11522	0.8
165.09074	0.9
171.10175	20.3
179.10678	1.1
181.12262	12.4
197.11787	2.5
199.09663	1.1
199.13344	12.3
201.11279	5.6
205.95441	0.8
207.10188	28.4
208.10547	1.1
209.11774	3.1
211.13362	1.2
223.13416	1.2
225.11281	56.4
226.11652	2.7
235.08182	4.7
243.12402	7.0
253.09221	8.6
269.21078	1.1
277.21716	100.0
278.22037	7.7
291.19821	1.1
293.21207	4.2
443.19080	2.6
445.19797	1.5
461.20248	9.8
479.21655	2.0
515.01740	0.9
657.51343	1.0
721.41791	7.3
739.42719	81.0
740.42932	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	739.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.9
59.01251	13.2
61.98701	2.5
70.19416	2.5
70.19806	3.3
71.01259	15.0
71.04890	3.5
73.02806	1.5
75.00718	1.1
78.95783	22.1
79.24971	1.2
83.01240	1.5
85.02840	4.7
87.00751	3.6
89.02310	4.4
95.04925	1.8
96.95895	2.3
96.96840	2.6
97.02848	5.8
97.06466	1.6
99.00766	14.5
101.02328	7.0
103.25558	1.3
109.06470	3.1
113.02328	4.1
121.02830	2.6
123.08057	1.9
123.11024	1.3
125.02327	2.7
125.09608	5.1
127.11192	2.2
134.35373	1.3
142.02591	2.3
152.99501	11.4
163.11220	8.1
168.48758	1.0
169.12315	2.4
171.10184	25.9
171.13617	1.1
179.05501	2.1
181.12265	14.7
183.13808	1.6
185.11771	2.5
195.13887	3.0
197.11810	4.6
199.13347	31.3
200.13585	1.5
201.11310	6.6
207.10214	39.1
208.10512	2.3
209.11771	11.3
211.13310	14.5
223.13313	1.6
225.11284	74.7
226.11606	3.9
227.12836	15.8
235.08168	4.3
243.12355	15.7
253.09229	11.9
275.20221	2.9
277.21722	75.5
278.22025	6.6
291.19531	5.9
293.21185	19.2
294.21304	1.6
295.22681	2.5
309.20700	1.3
311.22372	3.4
429.20273	5.3
443.18643	3.6
445.19907	5.0
447.21439	2.2
461.20303	12.6
463.21725	3.2
479.21094	2.6
721.41248	5.5
739.42657	100.0
740.42957	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	739.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11826	0.7
54.14534	0.6
57.03321	0.9
59.01249	7.3
59.60373	0.6
69.03330	0.9
69.57807	2.9
69.58238	2.4
71.01253	6.1
73.02819	1.3
76.52359	0.7
83.04922	0.8
85.02808	1.9
85.10162	0.7
87.00760	1.6
88.92429	0.7
89.02303	3.2
101.02360	4.1
106.37100	0.6
111.08025	1.9
113.02335	2.6
113.09576	0.7
119.03359	1.5
125.02335	1.5
161.04445	1.8
163.11095	0.9
165.12770	6.5
171.10118	1.4
179.14223	0.8
183.13829	100.0
184.14198	4.9
195.13826	4.8
197.11748	1.8
199.13379	1.5
207.10164	1.0
209.11760	11.0
210.12122	1.1
211.13275	6.3
223.13374	2.3
227.12811	7.0
228.13358	1.1
235.08208	4.1
253.09276	9.9
275.20163	3.1
291.19446	1.1
293.21216	36.7
294.21533	1.7
295.22647	1.5
301.10947	1.1
309.20575	1.8
419.22961	0.8
445.20764	3.0
463.21552	4.3
560.86682	0.7
739.42725	60.6
740.43243	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	739.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	4.4
59.71150	0.3
61.98706	3.4
71.01254	2.6
73.02827	1.0
80.02554	0.7
81.03308	0.8
82.15722	0.4
83.01245	0.5
83.04896	4.6
84.02036	1.0
85.02827	0.7
89.02314	1.6
95.01279	0.6
95.04932	0.6
101.02306	3.1
105.33161	0.4
105.42290	0.4
109.06410	0.5
111.08051	0.9
113.02323	2.0
119.03364	0.7
161.04440	0.9
163.11189	3.9
165.12758	2.5
171.10210	0.9
181.12306	0.6
191.10634	0.5
195.13821	5.0
196.14494	0.5
197.11734	1.1
205.12311	0.6
209.11768	100.0
210.12125	5.2
211.13316	5.2
223.13310	4.1
227.12843	10.9
228.13303	0.6
235.08228	2.8
253.09256	12.4
254.09819	0.5
256.13095	0.6
275.20187	5.1
291.19714	0.6
293.21219	59.4
294.21515	5.0
309.20703	1.5
445.20996	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	3.6
61.98704	0.6
70.34166	1.8
71.01247	3.3
73.02826	0.5
80.02570	1.0
81.03336	0.7
83.04887	3.6
84.02085	0.6
85.02819	1.1
87.00763	0.6
89.02333	1.9
95.04886	0.7
99.04337	0.5
101.02283	2.5
109.06388	0.6
113.02340	1.8
119.03436	0.5
125.05979	0.7
133.04845	0.5
155.04280	0.5
161.04494	2.1
163.11171	3.4
165.12735	1.9
171.10245	0.9
179.14339	0.6
195.13861	5.6
197.11797	0.7
209.11777	100.0
210.12083	5.3
211.13377	3.7
212.13841	0.5
223.13387	4.8
227.12866	13.7
235.08257	2.1
253.09282	16.8
254.09550	0.7
256.13358	0.8
262.06754	0.6
275.20172	6.8
293.21222	83.4
294.21585	6.1
306.26782	0.7
309.20718	0.7
364.20718	0.6
424.48962	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97461	0.7
57.03324	1.2
59.01241	2.1
59.02780	0.7
68.27628	0.5
70.77480	1.4
70.77811	1.3
71.04880	0.9
75.74868	0.5
78.95777	100.0
83.04872	0.7
96.96845	8.3
111.08047	1.0
134.98422	2.4
152.99492	56.6
153.99947	0.7
171.10182	1.1
179.14319	0.9
195.13843	10.3
197.11786	2.7
205.12299	0.8
211.13344	0.8
221.15417	2.4
223.13379	5.2
239.16444	0.9
241.78426	0.7
275.20071	3.0
277.21637	1.3
291.19684	7.9
293.21234	24.4
294.21680	1.3
295.22592	0.8
309.20694	11.1
309.89963	0.7
310.21060	1.0
429.20499	19.4
430.20602	1.3
431.22113	0.9
445.19928	30.5
446.20154	2.3
447.21387	5.4
463.20987	8.6
495.95865	0.7
610.97565	0.8
667.70074	0.6
739.41998	47.0
740.42291	8.1
744.66449	0.7
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
59.01243	3.3
59.65820	0.3
70.89651	1.0
71.01258	2.3
73.02834	0.6
80.02544	1.0
81.03333	1.1
83.04898	3.9
84.02023	0.7
85.02802	0.7
87.00751	0.7
89.02287	1.5
95.01285	0.4
95.04890	0.5
97.06451	0.3
98.19888	0.4
101.02315	2.1
105.76259	0.2
113.02313	0.9
119.03423	0.4
125.05941	0.6
126.57417	0.3
134.48790	0.3
135.08047	0.5
150.70004	0.3
161.04485	1.1
163.11195	2.6
165.12737	2.1
171.10172	0.5
181.12288	0.6
191.10677	0.8
195.13873	3.0
196.14574	0.4
199.13364	0.4
205.12347	0.3
209.11771	100.0
210.12115	4.6
211.13281	2.2
223.13354	2.2
224.13742	0.4
227.12834	9.7
228.13367	0.7
235.08217	2.7
253.09277	10.5
256.13162	0.5
275.20120	2.6
290.16388	0.3
293.21234	38.1
294.21585	2.9
375.16928	0.4
445.20609	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13173	1.4
57.03319	6.0
59.01252	22.8
62.80523	1.4
67.01755	1.9
68.99683	2.1
70.08053	1.6
71.01259	31.4
72.60694	1.4
72.99191	12.6
73.02824	3.6
75.00749	47.9
83.01256	2.6
85.02827	29.2
87.00758	12.6
88.42937	1.3
89.02322	3.4
91.73723	1.4
93.24639	1.4
95.01257	4.3
98.19876	6.3
98.20564	4.3
99.00759	21.6
101.02320	4.2
111.00748	5.7
113.02341	32.6
115.00267	5.4
117.01853	1.7
117.03330	1.7
121.02865	3.0
123.00759	2.6
124.01556	5.0
125.02377	15.4
129.01817	3.4
135.04434	4.8
137.02367	2.7
143.03459	2.3
148.01534	2.0
149.02379	8.1
150.03094	4.8
157.01349	6.0
163.03931	10.5
164.04688	9.1
171.02927	6.3
175.02420	8.6
198.87680	1.5
201.04015	1.9
209.11826	3.8
229.36145	2.1
253.05000	5.2
254.05663	3.7
269.08194	42.5
270.05396	15.5
285.07651	35.9
286.08401	11.7
300.10001	26.0
301.10764	23.2
310.01437	1.6
315.12390	58.6
316.12686	4.4
505.16916	10.3
549.61194	2.0
591.20715	5.9
677.21350	2.4
695.21869	100.0
696.22144	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	739.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24234	2.3
55.29787	1.9
59.01258	15.7
78.95769	9.4
94.39872	2.0
98.91483	2.1
107.01267	5.3
113.01279	2.0
125.02367	3.3
143.32069	2.0
151.00313	10.6
152.99484	3.5
178.99715	4.1
194.89822	2.2
195.13814	2.4
199.03943	4.0
208.38092	2.0
209.11758	6.3
211.03871	2.1
211.13286	4.9
226.02702	8.6
227.03427	6.2
243.02937	20.4
254.02132	9.5
255.02943	22.8
271.02484	100.0
271.05463	4.8
272.02930	7.7
279.23297	17.8
280.23526	3.5
292.47546	2.5
293.21140	6.3
299.02148	11.5
299.99417	4.3
300.02737	67.8
301.03519	33.4
309.20627	3.8
442.11099	3.1
457.12662	10.3
463.08673	2.7
533.24530	2.2
535.36420	2.4
550.60193	2.1
563.89874	2.5
738.51337	3.8
739.29761	94.5
739.42627	5.1
740.29865	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	739.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88263	2.1
57.03320	4.4
59.01252	30.3
60.60531	2.1
68.25008	2.0
68.58657	2.1
71.01266	28.4
72.99191	11.0
73.02827	4.1
75.00745	34.8
83.01254	3.4
85.02827	29.0
87.00734	14.7
87.26493	2.4
89.02372	2.6
92.86107	3.1
95.01270	6.3
96.95874	2.7
98.20548	5.4
99.00758	21.2
101.02325	4.9
111.00778	4.4
113.02327	29.0
115.00298	4.5
117.01830	3.5
121.02835	7.2
124.01571	5.3
125.02353	22.4
129.01846	4.0
135.04420	9.4
137.02371	3.9
139.00247	4.1
149.02350	14.6
150.03107	3.6
151.07600	2.8
157.01350	7.2
163.03893	12.4
164.04767	15.3
165.95044	2.5
175.02399	7.9
195.06531	6.9
222.77348	3.1
226.06586	2.9
229.63458	2.8
242.05653	3.7
253.04968	4.3
254.05869	4.7
269.08191	63.8
270.05316	18.1
270.08456	6.4
285.07693	59.6
286.08136	6.5
300.10043	36.8
301.10638	11.3
315.12415	100.0
316.12653	7.2
342.48138	3.0
379.08984	3.1
677.21039	5.4
695.21924	94.0
696.22211	14.4
739.37299	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	739.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41654	0.4
63.02271	0.6
65.00201	0.7
67.10338	0.5
69.23931	5.4
69.30922	0.4
82.03399	0.5
93.03328	0.7
107.01312	1.1
109.02850	0.5
117.03340	0.9
133.64613	0.5
151.00281	4.8
153.01849	0.5
155.04910	0.5
159.04404	0.6
163.00282	0.5
169.01291	0.7
169.06502	1.1
183.04420	2.1
185.05994	1.0
187.03931	0.7
189.05450	0.7
211.04010	2.6
213.05467	1.5
227.03445	18.9
228.03816	1.4
229.05032	2.5
239.03445	1.0
241.05046	0.7
243.02827	0.6
255.02965	61.6
256.03433	5.3
257.04428	2.6
270.15775	0.6
283.02469	72.4
284.03238	62.9
285.04004	41.6
286.04376	2.9
327.05035	1.6
430.09076	6.6
431.09845	1.3
464.71857	0.5
593.15106	100.0
594.15460	12.5
687.16815	0.6
739.07751	1.0
739.20953	18.9
740.21582	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	739.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.6
63.02276	0.5
65.00189	0.7
69.70582	2.7
75.16328	0.4
83.01263	0.9
93.03354	1.2
96.95860	0.5
100.30607	0.4
107.01261	1.8
109.02819	0.5
117.03345	0.8
125.02359	1.1
129.87962	0.4
130.03299	0.4
135.00792	0.6
137.02303	0.6
143.04904	0.7
151.00256	2.7
153.01918	0.5
154.04057	0.7
155.04936	0.6
159.04477	0.6
163.00296	1.1
165.01871	0.5
167.04915	0.7
169.01317	1.0
169.06560	2.3
171.04520	0.4
173.02367	0.6
174.03169	0.4
183.04480	2.7
185.02519	0.5
185.05981	2.2
187.03946	2.1
189.05504	1.3
195.04572	0.8
197.05957	0.4
199.03937	0.8
207.31863	0.4
211.03957	2.8
212.04523	0.4
213.05475	2.6
214.02615	1.1
215.03532	0.5
217.04810	0.4
227.03445	15.3
228.03868	1.0
229.05011	5.0
230.05524	0.5
239.03476	1.4
241.05005	1.1
243.02925	1.3
255.02975	53.3
256.03452	5.0
257.04507	4.3
267.02917	0.6
279.66376	0.4
283.02478	62.1
284.03229	38.4
284.06531	0.9
285.04031	100.0
286.04407	5.6
327.05124	1.6
369.02823	0.5
372.34760	0.4
430.09015	6.4
431.09756	9.3
432.09967	0.6
593.15118	87.8
594.15448	9.3
673.86499	0.5
739.20917	23.3
740.21429	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31287	1.8
57.03324	19.6
59.01256	11.5
69.03339	2.3
71.01258	7.3
73.02837	2.1
74.21622	1.9
75.00774	2.2
79.95606	2.7
81.03333	5.2
83.01276	12.5
85.02849	4.7
89.02350	3.2
93.03331	4.1
95.01231	1.8
95.04902	5.0
96.95908	7.3
97.02843	3.6
98.20639	3.9
101.02370	2.2
105.82547	1.8
107.04856	2.2
108.72276	1.7
109.02822	9.5
113.02335	3.3
121.02858	2.8
123.04362	3.3
124.01599	2.5
125.02347	100.0
126.02681	3.4
128.91978	1.8
134.03618	5.2
135.04475	2.4
137.02351	67.7
139.03880	3.2
147.60770	1.9
149.02330	4.0
151.03935	4.4
158.69507	1.9
161.02382	5.1
163.00252	4.6
163.03998	2.5
164.01054	6.9
165.01862	14.9
167.03426	7.1
169.01382	3.6
174.03128	1.9
175.03867	3.4
177.01845	4.0
179.03442	6.3
181.04906	3.4
185.06067	3.8
188.55397	2.0
189.05495	2.1
193.05157	3.0
195.04547	1.9
196.05046	2.5
197.06035	6.3
198.03230	2.1
199.04086	3.6
201.05472	3.1
209.06070	2.3
209.11809	3.6
211.03937	2.4
212.04611	2.9
213.05487	7.0
215.03427	3.4
217.04987	4.5
223.07590	2.2
225.05563	16.5
226.05910	2.1
227.03510	2.1
229.04991	3.8
229.46907	2.4
235.03981	4.3
237.05499	3.1
239.03493	4.4
241.05028	33.1
243.02936	5.2
244.03720	2.3
247.07614	2.8
249.05608	7.0
251.03403	3.9
251.07111	2.6
253.05070	22.8
257.04526	5.6
261.05527	4.7
263.03543	4.5
263.07156	4.5
265.05042	11.2
265.08740	2.9
269.04562	19.1
272.04611	2.0
273.05499	2.8
275.07184	4.9
277.05020	6.0
278.05777	3.7
279.03171	3.2
279.06604	8.6
280.03787	2.8
281.04590	26.6
289.04968	2.6
291.06601	7.4
292.07364	3.3
293.04541	7.7
293.07828	3.8
297.07623	2.2
299.05588	2.6
301.05087	2.4
301.11020	2.0
302.05829	5.9
303.06567	15.4
304.07001	1.8
305.04587	2.2
305.08240	5.2
315.06506	4.4
317.04816	3.0
317.08261	7.2
319.05951	6.1
321.07678	22.0
327.06775	2.4
331.06155	2.9
332.06943	2.1
333.07706	6.8
335.09180	4.1
345.07788	14.0
351.08905	2.3
357.07492	6.3
359.05646	3.7
361.07242	8.1
363.08716	8.7
365.06879	2.5
371.05545	4.4
375.08923	4.7
379.08200	8.3
389.06668	22.9
397.09869	3.2
401.06592	8.2
407.07742	16.0
419.07623	14.9
420.08136	2.3
425.08771	10.9
441.10501	2.8
459.10977	4.5
483.10791	3.7
501.12164	5.8
527.09680	11.2
545.10925	32.9
546.11243	5.0
563.12054	24.7
583.12598	3.5
696.58075	2.1
739.16675	9.5
739.31354	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96243	0.8
57.03321	12.0
59.01262	1.1
65.03844	0.7
69.39087	0.6
71.01257	1.0
73.02799	0.8
81.03316	1.2
83.01262	3.4
93.03313	3.2
95.01276	0.7
95.04907	1.0
97.02827	1.1
98.19807	2.3
105.03311	1.0
107.04879	1.2
109.02843	12.4
111.42094	0.6
113.83508	0.6
117.03342	1.8
119.04910	1.6
121.02827	5.6
123.00762	0.8
123.04418	5.9
125.02332	88.0
126.02675	1.9
131.04900	1.4
133.02837	2.7
135.04404	2.5
137.02344	16.0
139.03902	1.0
145.02831	5.4
146.03590	1.0
149.02347	8.8
151.03908	6.5
159.04440	4.2
161.02394	2.2
161.05978	3.7
163.00285	2.5
163.03911	3.1
164.01021	1.6
165.01846	4.6
167.03395	1.8
173.06015	0.7
175.00238	1.8
175.03915	8.1
177.01848	100.0
178.02206	4.3
179.03445	1.5
183.04506	1.0
185.05968	2.2
187.03943	6.8
188.04610	1.2
191.03470	1.1
193.04970	1.2
199.03961	2.8
201.05473	2.4
201.92419	0.8
202.06207	1.1
203.03340	1.3
203.07030	4.0
205.01312	1.2
205.05084	3.3
209.06049	0.8
211.03969	2.8
212.04488	0.7
213.05531	1.3
215.03448	1.8
217.05019	3.0
219.02942	2.7
223.03932	0.8
227.03456	1.5
227.07082	1.6
229.05060	3.5
231.03001	0.8
237.05478	0.8
239.03503	0.8
239.32237	0.8
243.02974	5.0
245.04355	0.7
245.08154	7.6
253.05019	2.0
253.08778	1.1
255.02986	8.1
256.03650	4.1
257.04504	2.5
259.05878	0.9
261.04117	3.4
267.02957	1.2
269.04614	1.8
271.06094	9.2
273.04004	6.3
281.04721	3.4
283.02536	3.8
285.04089	3.7
288.02634	0.8
289.07166	40.6
290.07516	2.9
297.04114	1.3
297.07599	1.2
300.02771	0.8
301.03424	3.2
303.05109	9.5
311.05554	0.9
315.05051	2.1
321.07693	1.6
339.08682	2.0
341.05139	0.9
363.08707	2.2
381.09821	1.9
389.06705	3.9
407.07706	71.1
408.08173	8.2
421.05197	0.8
425.08804	6.7
426.09171	0.8
435.10654	4.9
441.08264	1.0
447.09314	1.0
448.09842	0.8
449.08981	2.4
467.09790	8.7
468.10107	1.0
536.31775	0.8
553.11328	4.6
571.12408	11.9
572.13251	1.1
575.12091	1.5
593.12854	9.3
613.13647	1.2
676.00513	0.7
739.16626	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	738.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47807	0.2
59.01241	1.4
60.95004	0.2
61.67340	0.2
61.98701	100.0
67.72900	0.2
71.01247	1.1
72.01584	0.3
72.99217	0.2
78.95766	0.2
82.57769	0.2
83.01317	0.2
87.00765	0.2
89.02341	0.6
89.06760	0.2
98.20013	1.1
101.02332	0.6
113.02321	0.2
113.77182	0.2
114.02615	0.2
119.03379	0.2
125.02382	0.4
126.02662	0.2
134.01166	0.2
152.99557	0.2
156.43646	0.2
209.11810	0.4
211.13461	0.2
229.32664	0.2
234.98833	0.2
253.09279	0.4
277.21686	1.0
278.22089	1.3
279.22629	0.6
293.21347	0.3
397.13708	0.7
398.13968	0.7
399.14096	1.5
400.14554	0.7
407.41013	0.2
416.14957	0.5
417.15170	0.4
418.15399	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85153	0.1
59.01250	1.2
59.62583	0.1
61.98705	100.0
67.64712	0.1
71.01255	1.0
72.01600	0.1
73.02810	0.2
78.95742	0.1
85.02816	0.3
86.51105	0.1
87.00770	0.2
89.02328	0.8
97.02839	0.2
98.19753	0.3
101.02338	0.9
102.02634	0.2
113.02325	0.5
119.03428	0.2
125.02340	0.2
143.03433	0.1
152.35925	0.1
161.04449	0.3
163.11258	0.2
180.06059	0.1
199.13484	0.1
207.10226	0.3
209.11768	1.1
211.13474	0.6
212.13734	0.2
225.11327	0.4
227.12914	0.6
235.08218	0.3
253.09312	0.3
258.68567	0.1
264.29382	0.2
277.21680	1.0
278.22028	1.0
279.22247	0.7
280.22699	0.2
289.18039	0.3
290.18518	0.1
291.19632	0.3
293.21274	0.8
294.21881	0.1
334.00946	0.2
397.13428	0.6
398.13892	0.9
399.14029	1.2
400.14471	0.5
415.14740	0.2
416.15112	0.3
417.14999	0.4
418.15332	0.3
551.85681	0.1
615.00366	0.1
738.41248	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62240	0.7
57.03331	0.9
59.01252	7.5
61.98698	1.6
69.03329	5.3
71.01249	6.8
71.04887	1.6
73.02819	1.6
75.00738	1.8
78.95773	2.4
83.01264	0.9
83.04919	0.9
85.02818	2.5
87.00735	1.1
89.02312	3.1
89.84415	0.7
95.01254	1.2
97.06498	1.2
98.20562	1.7
99.00763	1.6
101.02333	3.4
109.06481	1.7
111.04330	0.8
113.02322	3.1
117.54452	0.8
123.08015	1.5
125.02309	0.9
125.09612	2.3
145.04955	0.7
151.11162	3.3
152.99506	1.6
153.12727	1.4
160.20982	0.8
161.04471	1.4
161.09674	3.7
169.12274	1.9
171.10167	1.0
179.10696	9.5
185.69003	0.6
197.11768	46.7
198.12035	2.1
207.10223	3.5
209.11760	3.5
223.09758	1.7
225.11270	1.0
227.12761	1.9
235.08170	0.8
241.10757	2.3
253.09143	5.1
253.68079	0.7
277.21716	64.0
278.22058	4.5
293.21243	3.5
400.17502	0.7
459.18762	1.3
477.19833	2.3
629.34973	0.9
712.34625	0.7
719.40277	1.4
737.41150	100.0
738.41486	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	737.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	7.5
61.98701	1.7
69.03316	3.6
71.01257	5.9
71.04901	1.7
73.02839	1.4
78.95772	1.0
85.02830	2.0
87.00734	1.0
89.02317	3.2
97.02818	1.4
99.00748	1.0
99.31027	0.7
101.02318	3.3
113.02340	2.6
123.08034	1.2
125.09561	1.4
144.43642	0.8
151.11185	2.5
152.99548	1.0
153.12799	0.9
161.04308	1.0
161.09671	5.4
169.12296	1.5
179.10703	9.2
189.56140	0.8
197.11777	46.8
198.12074	2.5
207.10226	1.9
209.11858	1.6
211.13350	1.2
223.09633	2.4
235.08170	2.1
241.10826	2.5
253.09262	3.7
266.31821	0.8
277.21722	62.4
278.22061	4.6
293.21249	2.6
459.18695	0.9
477.19574	1.7
511.29446	0.8
553.43225	0.7
706.79279	0.8
719.39838	1.2
737.41193	100.0
738.41382	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	737.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55932	1.4
57.03309	2.4
59.01254	27.7
61.98706	39.8
64.08480	1.4
65.93302	1.7
69.95802	1.6
71.01244	7.5
71.59399	1.6
71.59820	2.4
72.99187	2.0
73.02814	3.6
75.00730	2.9
78.91758	1.5
80.13838	1.4
81.03339	1.6
83.04897	3.8
84.02030	1.5
85.02827	5.5
87.00761	2.5
89.02347	3.3
93.03337	1.6
96.95907	3.4
101.02326	3.4
109.02808	1.8
113.02323	5.2
125.02362	5.9
137.02286	3.1
161.04494	2.8
163.11238	3.8
165.12749	2.4
169.01326	2.0
169.12286	3.8
171.10143	2.3
183.92542	1.5
209.11772	100.0
210.12143	5.2
211.13336	1.9
227.12885	10.9
235.08286	2.0
253.09312	7.4
369.57788	2.1
417.39417	1.9
445.20685	1.8
463.32278	1.9
581.26813	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.7
57.03316	1.7
58.00471	2.5
59.01254	45.4
69.03333	4.1
70.33746	6.3
71.01255	33.9
72.99180	2.6
73.02847	8.6
81.03312	2.5
83.01262	3.6
85.02813	8.1
87.00742	7.5
89.02324	29.5
95.01260	2.3
97.02824	8.8
99.00778	3.3
101.02325	28.2
109.06479	6.0
112.76682	1.5
113.02334	14.6
119.03407	10.8
123.04460	1.8
125.02348	12.1
136.60823	1.7
143.03403	4.4
144.86092	1.6
161.04538	7.1
163.11195	4.7
179.05479	5.6
181.12419	2.4
199.13327	2.0
207.10234	17.2
209.11777	29.8
211.13332	6.2
217.07253	1.5
221.06448	2.2
223.13330	1.7
225.11269	11.9
227.12790	5.7
235.08217	12.6
238.96242	1.6
253.09225	9.1
277.09268	1.8
279.23300	95.6
280.23618	7.4
287.07693	3.9
291.19684	24.4
292.19907	3.6
293.21231	17.9
294.21591	2.0
305.08658	3.1
307.19196	2.6
323.09756	3.0
397.13531	100.0
398.13855	6.9
415.14600	32.1
416.14777	3.8
461.20380	4.1
527.28296	1.8
737.40924	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70957	0.7
57.83324	0.6
59.01242	1.8
78.95763	4.9
107.53703	0.6
110.91728	0.6
110.98299	0.7
115.97722	0.6
121.02830	2.4
123.00780	0.8
124.01537	2.3
125.02345	7.1
135.04417	3.6
148.01543	1.1
149.02319	6.3
149.05969	0.7
149.75415	0.7
152.99460	2.1
163.03947	4.6
164.04686	5.8
165.38484	0.8
189.23824	0.8
195.13855	0.7
207.10100	1.3
225.05511	2.0
226.06432	0.8
227.03465	0.8
229.37268	0.7
253.05034	3.0
254.05815	2.6
268.07242	0.8
269.08185	27.8
270.05334	11.8
270.08533	2.0
277.21713	1.9
279.23288	1.0
285.07687	31.8
286.08057	2.2
293.21359	4.4
300.09991	15.6
301.09967	0.9
314.59732	0.7
315.12387	100.0
316.12665	7.9
455.17123	0.9
512.41418	0.7
691.25977	0.8
737.42157	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	737.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02304	4.5
58.96769	4.7
59.01245	11.4
61.98698	34.4
71.01259	10.5
73.02834	5.1
77.79556	4.4
80.96383	11.7
96.95898	9.6
125.02301	10.2
140.88550	5.2
169.01343	5.7
197.11748	15.3
207.66882	5.3
209.11783	100.0
211.13371	11.9
223.13359	33.1
227.12897	15.2
253.09155	15.2
291.19662	12.9
309.20715	21.2
459.22098	7.3
737.34662	14.9
740.56287	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	737.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66493	1.4
57.03322	8.6
59.01255	24.4
61.98706	1.8
66.92759	1.2
67.23585	1.5
69.03335	1.5
71.01257	23.2
71.37055	2.7
72.99189	9.1
73.02826	2.3
75.00752	24.9
80.96410	2.0
81.03358	2.7
83.01265	4.6
83.04882	7.6
84.02031	2.6
85.02827	28.3
87.00758	11.7
88.98681	1.6
89.02331	6.1
93.03317	1.5
95.01277	4.6
96.95894	11.4
99.00750	14.7
99.04379	1.7
101.02274	3.1
103.00270	3.3
109.02746	1.6
113.02336	28.3
113.03064	2.2
115.00223	1.9
117.01833	2.7
119.04965	1.6
121.02891	2.0
125.02366	8.4
125.09592	2.4
127.11191	2.0
129.01842	1.5
134.03651	4.0
135.04375	2.1
135.08128	1.5
137.02371	5.9
149.02437	1.4
149.04424	1.4
149.05984	1.9
150.03085	1.7
163.11192	2.9
165.01793	2.2
165.05524	2.0
165.12794	3.0
169.01376	3.7
171.10233	4.3
175.02493	3.6
177.86705	1.6
187.04094	1.5
191.10626	1.8
193.05011	3.9
195.06540	2.8
197.11824	1.9
201.11269	32.5
205.07101	1.5
209.11774	100.0
210.12146	4.2
211.13451	1.5
223.04465	1.8
227.12733	6.7
234.47353	1.2
249.06104	2.8
265.07278	1.6
267.07297	2.0
278.27225	1.3
279.49731	1.5
334.25400	1.6
477.19531	2.0
487.14899	3.1
661.30902	7.5
662.31427	2.2
687.32404	29.8
688.33148	5.1
693.33508	6.4
694.32593	1.7
705.33337	38.5
706.33698	8.3
719.34827	21.8
720.35754	2.6
737.36218	66.4
738.36725	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	737.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.4
58.95922	1.5
59.01253	7.8
60.87691	1.2
61.98710	10.5
63.96116	1.6
67.97787	1.3
69.48589	8.1
69.49010	2.7
71.01258	13.2
73.02811	3.2
78.95780	8.1
78.98476	8.5
79.95614	15.4
80.96394	84.7
81.03341	1.5
83.01259	1.6
83.04871	1.5
85.02831	5.2
87.00758	6.3
89.02327	2.8
94.97954	16.8
96.95897	100.0
96.96890	3.9
97.02817	1.8
99.00771	1.6
101.02322	5.2
106.97958	4.5
113.02358	2.3
122.97479	2.5
125.02339	7.6
125.09608	3.1
134.97437	6.4
147.42880	1.3
148.99013	6.1
152.98500	6.1
152.99559	1.6
164.25354	1.3
164.98569	15.2
171.10146	1.9
183.13855	8.3
197.11812	2.7
206.99609	4.7
209.11804	18.0
209.35057	1.4
211.13312	2.3
225.00691	23.2
227.12729	1.8
235.08069	1.4
244.17160	1.8
253.09306	3.2
270.18604	1.5
291.19681	8.3
293.21262	7.6
309.20752	3.3
397.13626	2.5
415.14603	3.5
453.00504	1.4
509.16895	1.8
650.79877	1.4
694.34515	2.5
737.30554	96.5
738.29779	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	737.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99343	0.9
55.01744	1.4
57.03310	2.9
59.01252	28.0
63.95068	0.8
69.03305	1.2
71.00951	0.9
71.01257	8.9
72.99178	11.7
73.02798	2.6
74.98110	0.9
75.00739	4.8
83.01229	2.1
83.04888	1.7
83.09830	0.9
85.02819	7.6
87.00743	3.8
89.02287	3.1
93.03326	2.0
95.01239	2.6
96.73941	0.9
96.95898	2.4
99.00761	6.9
101.02330	4.7
109.02799	1.9
109.19941	0.9
111.00716	1.3
113.02318	9.8
113.88644	1.0
119.04862	1.0
121.02795	1.8
125.02346	6.6
129.53377	0.9
130.34308	0.9
133.02834	2.4
134.03632	79.7
135.04308	2.7
136.01556	1.0
137.01585	0.9
137.02347	9.1
139.03848	4.1
147.04387	1.7
149.02324	2.0
149.05988	38.9
150.03079	2.3
150.06184	0.9
151.03932	1.5
159.04352	1.1
161.02324	1.2
163.03931	1.5
163.11165	1.1
165.01807	1.6
167.03331	2.1
169.01283	2.1
175.02408	1.1
175.03841	3.3
177.01810	1.3
178.02637	35.1
179.03210	2.1
187.03850	1.1
189.05440	1.5
191.03427	1.0
193.04993	83.2
194.05298	4.4
201.11157	2.2
205.04869	1.0
205.12202	2.1
207.10139	1.2
208.21495	1.0
209.11786	5.1
211.03955	1.1
215.03346	1.2
217.04904	1.5
223.05980	2.4
223.13371	8.7
224.13486	1.2
235.06044	1.0
243.02850	1.4
267.07043	1.2
267.12314	6.0
271.02322	2.9
355.10153	1.4
362.12411	1.0
368.95642	1.0
469.13303	3.3
487.14584	100.0
488.14938	10.2
571.17914	1.1
581.16821	1.2
687.31958	1.9
693.29907	3.9
705.33130	1.8
719.35175	1.7
737.26001	35.2
737.36053	3.8
738.26691	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	737.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41450	0.2
55.47506	0.3
57.03323	1.6
59.01251	2.2
67.01775	0.4
69.03327	1.1
71.37152	0.4
75.39961	0.3
80.02577	0.3
81.03339	1.1
83.01267	1.0
93.03351	0.4
95.01269	0.6
95.04889	0.9
97.02844	2.4
97.78504	0.3
105.03327	0.3
107.01276	1.0
109.02839	8.0
111.00745	0.5
121.02872	1.0
122.03652	0.4
123.00754	1.4
123.04420	3.7
124.01567	0.5
125.02338	59.7
126.02683	1.6
127.00305	0.4
135.04410	0.8
136.98697	0.3
137.02344	6.1
139.00275	0.9
139.03903	1.2
140.01047	1.1
145.01831	0.3
145.02821	1.9
146.03635	0.4
147.08136	0.6
149.02327	2.1
150.03102	0.4
150.43645	0.3
151.03915	3.9
159.04436	1.3
160.05095	0.4
161.02422	0.5
161.05971	1.5
162.03183	0.6
164.01031	0.8
165.01852	1.5
166.99767	1.1
167.03444	0.7
168.00493	1.6
169.01340	100.0
170.01689	2.7
175.03886	0.8
175.07555	0.4
175.47812	0.3
179.03436	2.1
183.04340	0.3
185.05960	0.5
187.03929	2.1
188.04698	1.1
193.01364	3.9
199.07555	0.3
201.05518	0.4
202.06282	0.9
202.35036	0.2
203.07059	4.5
205.01375	0.5
205.04994	2.9
219.06674	0.3
221.08217	1.1
227.07109	0.9
231.03067	0.6
243.06485	0.3
245.08183	7.2
246.08530	0.4
247.06139	0.5
253.05051	0.7
259.06100	1.0
271.06116	4.2
272.06735	0.4
275.05667	0.3
287.05685	0.6
289.07187	35.6
290.07489	2.0
303.05045	1.6
331.04605	1.7
397.09335	0.6
441.08258	39.1
442.08566	4.4
463.08542	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10805	2.3
57.03331	6.6
59.01256	18.4
63.02275	5.8
65.00214	8.9
68.70211	2.3
68.99670	3.0
69.71956	17.2
71.01240	17.3
72.99182	3.5
73.02829	5.4
75.00757	7.4
81.03345	3.7
83.01255	15.5
85.02826	15.4
87.00778	3.6
88.47507	2.0
89.02338	3.9
93.03357	4.4
96.95901	3.8
97.02846	2.4
99.00747	4.5
101.02355	4.8
107.01298	17.0
109.02838	5.6
109.98225	2.4
113.02330	13.2
115.00287	2.9
117.26899	2.4
119.04913	2.3
121.02867	3.6
123.00762	2.4
123.04425	5.4
124.01595	4.0
125.02349	33.3
126.02663	3.4
129.01932	2.4
133.02821	2.9
134.03661	10.1
135.00829	2.5
135.04425	4.6
137.02357	23.7
145.02861	3.8
149.02370	4.9
151.00282	48.1
152.01016	4.4
159.04446	3.6
160.38681	2.3
161.02338	5.1
163.00342	4.7
163.03883	3.0
164.01031	4.2
165.01837	10.0
165.05511	3.8
167.03461	10.1
169.01344	17.5
175.02516	3.0
175.03899	5.4
177.01884	6.6
178.99777	57.2
179.03401	4.0
180.00046	3.0
183.04506	4.7
192.00537	3.4
193.01295	13.2
193.05022	7.7
199.03969	3.9
201.05560	10.1
203.03412	3.8
205.01376	6.4
207.02960	7.4
211.03966	10.9
212.04726	3.6
213.01874	4.0
213.05574	2.5
213.11267	2.7
215.03479	7.1
219.02852	2.8
221.06023	2.6
227.03470	8.9
228.04218	8.1
229.01405	4.4
229.04990	11.1
231.03033	4.1
233.00877	2.9
237.05489	2.8
239.03528	8.8
241.05135	3.5
243.02948	7.3
249.06027	5.4
251.03490	5.4
255.02977	8.0
255.06670	3.1
256.03699	8.2
257.04578	5.4
265.05179	5.4
267.03021	6.1
267.07153	8.8
269.04642	4.8
281.04712	7.0
283.02563	5.1
283.06000	3.1
289.07248	8.0
293.04742	5.7
305.04700	3.5
307.06137	5.1
309.04153	3.2
309.08218	3.6
317.04520	2.9
321.04047	7.8
323.05560	6.5
333.03992	4.0
333.07779	3.5
335.05743	6.4
345.03882	4.3
347.05688	2.9
349.03494	3.6
350.04376	9.5
351.05228	12.5
361.03622	6.2
362.04565	3.8
363.05179	18.8
367.04739	9.3
375.05020	4.3
377.06677	7.6
379.04562	8.1
380.04987	3.3
381.06226	6.8
390.03757	7.6
391.04578	17.0
392.04849	3.1
401.03171	10.9
403.04755	3.7
407.04208	2.7
408.04910	5.8
409.05545	13.3
418.03403	4.6
419.04111	100.0
420.04523	15.5
431.04297	2.9
436.04590	4.4
437.04993	8.9
443.07147	2.4
443.12128	17.6
467.12103	4.9
513.09583	8.7
529.07806	4.5
531.09442	4.9
539.05872	3.4
557.07196	24.0
569.09338	14.3
571.11200	6.8
575.08356	70.5
576.08789	10.0
581.09387	14.9
599.10345	28.0
600.10712	3.2
612.10760	2.8
737.13666	35.8
737.36285	19.5
738.13519	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	736.4922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71263	5.6
59.41463	5.7
62.03975	5.6
78.95793	30.0
98.20600	8.9
99.62024	6.1
152.99490	20.9
156.75475	5.9
199.85957	5.7
206.88548	5.6
277.21744	79.3
279.23288	100.0
280.23676	12.2
309.21771	6.5
343.46246	5.9
358.31018	7.0
616.71832	7.4
736.49371	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26094	1.0
57.03324	10.2
59.01254	17.3
59.56261	1.1
67.01749	2.1
69.03328	2.3
69.67654	5.3
69.68058	2.1
71.01265	5.2
72.99169	1.3
73.02810	1.5
75.00748	4.0
77.95548	1.0
83.01259	3.8
85.02818	11.5
87.00748	3.4
89.02302	1.2
93.03354	2.1
95.01258	2.3
96.48332	1.1
96.95898	3.2
97.02837	2.6
98.20519	2.3
99.00780	1.8
101.02329	3.2
107.01276	2.3
107.04911	1.4
109.02845	4.3
111.00770	10.5
113.02311	5.0
119.04912	1.7
121.02856	2.3
123.00778	1.5
123.04383	1.1
124.01569	1.4
125.02343	100.0
126.02677	3.3
134.03603	2.4
135.04401	2.1
137.02345	16.4
145.02844	1.7
147.00743	2.5
147.04405	1.7
149.02370	3.3
151.03893	1.7
159.04359	1.7
161.02388	2.9
163.00299	5.6
163.03900	3.2
165.01834	9.4
167.03452	3.0
169.01347	72.1
170.01730	2.7
175.00241	3.0
175.03891	2.9
176.01067	1.2
177.01825	3.9
181.04976	1.4
187.03935	2.6
188.04691	1.9
189.01765	1.5
190.02565	1.1
191.03381	3.3
193.05005	3.6
196.05232	3.8
197.05956	1.3
199.03957	1.9
201.05508	3.9
202.06290	1.2
204.04099	1.8
209.05972	1.3
209.11812	2.1
215.03470	3.0
217.04993	1.8
224.04820	6.2
225.05534	1.9
225.09229	6.0
227.03429	1.9
227.06844	1.2
229.05064	3.7
230.05743	3.0
233.04308	1.3
239.07162	2.6
240.07892	1.8
241.05057	1.3
241.08481	1.5
243.02988	2.8
243.10225	5.0
245.04323	1.3
245.08096	1.9
247.07590	1.4
249.05646	3.1
250.06146	1.4
252.04233	2.1
253.05179	1.7
253.08682	14.1
254.09132	1.7
255.02884	2.4
255.06702	1.3
257.04297	2.0
263.07159	5.3
264.07474	1.3
265.08737	5.3
267.06729	2.6
269.04364	1.7
269.08112	1.7
271.09781	10.8
275.07245	1.7
277.05124	1.6
281.05157	1.2
281.08179	6.5
281.11292	1.7
285.04129	1.4
288.07858	2.0
289.07355	1.4
291.06659	12.2
291.09811	2.8
292.07440	7.1
293.04852	1.3
293.08148	10.9
294.08633	1.2
299.09277	5.4
301.03485	8.5
305.08252	2.2
305.11780	1.2
307.06012	1.4
309.08069	1.6
309.11444	3.4
311.09415	1.6
316.07349	2.9
317.08411	1.2
323.05594	1.4
331.09671	1.6
332.06805	1.8
332.10510	1.6
333.11298	22.1
334.08252	1.8
337.07126	6.7
343.08209	1.2
351.08447	1.2
351.12381	2.0
355.08374	1.3
357.11307	9.6
358.11685	1.8
375.12305	8.4
377.10419	9.1
378.10797	1.4
391.11835	3.7
401.10236	11.8
419.11343	21.6
420.11545	3.5
435.10907	3.7
437.12411	13.1
438.12885	1.9
439.06979	1.4
445.09082	2.4
463.10406	16.2
464.10382	1.9
465.08151	1.4
473.08865	1.5
481.11450	23.3
482.11618	3.5
487.15024	1.5
541.13831	4.9
589.13586	15.7
590.14185	2.9
591.11395	2.3
633.12372	31.1
634.13220	5.4
651.13892	2.9
693.14990	2.4
693.29773	2.0
737.35797	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	735.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72247	0.3
57.03321	1.0
58.00462	0.4
58.57554	0.3
59.01251	6.8
65.15827	0.3
69.03324	2.3
71.01258	4.2
71.04900	0.7
73.02821	0.9
77.36526	0.3
83.01250	0.5
83.04914	0.7
85.02830	1.1
85.06456	0.6
87.00768	0.3
89.02329	3.0
94.51444	0.3
95.04916	0.7
97.06413	0.3
101.02332	3.5
109.06479	0.7
111.08004	0.5
113.02328	2.2
119.03385	1.2
119.75914	0.3
125.02373	0.6
125.09608	0.5
141.09125	0.5
145.04984	0.7
149.09653	0.5
161.04466	1.9
167.10710	4.0
177.12784	0.7
179.05502	0.5
179.10696	0.8
179.14349	4.4
184.30424	0.3
187.11255	0.4
195.13846	16.6
196.14291	1.0
205.10339	0.6
205.12280	9.8
206.12628	0.6
209.11954	0.3
223.13358	100.0
224.13708	7.2
225.14937	0.7
228.13606	0.5
235.08182	3.3
253.09274	17.2
254.09615	0.6
256.13168	1.1
265.21756	0.6
275.20169	4.6
276.20474	0.4
293.21240	80.4
294.21570	6.6
362.10229	0.3
459.22446	7.7
460.22617	1.1
492.22092	0.4
499.34412	0.6
529.30188	0.9
735.42761	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99820	0.1
54.16228	0.1
57.77054	0.1
59.01254	0.4
61.98705	100.0
62.98405	0.1
69.23801	0.1
70.06668	0.1
71.01254	0.3
71.59766	0.2
74.53932	0.1
78.16180	0.1
78.95805	0.1
79.43209	0.1
82.13421	0.1
82.27773	0.1
85.02828	0.2
89.02319	0.2
96.95908	0.2
97.48517	0.1
99.00779	0.2
101.02341	0.2
113.02331	0.3
121.02883	0.3
125.02356	0.5
137.02374	0.2
169.01424	0.1
171.10301	0.2
177.01746	0.2
191.03426	0.2
192.03694	0.1
193.61943	0.1
202.99982	0.1
209.11719	0.7
225.11298	0.2
374.69055	0.1
498.21973	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	736.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	3.7
60.38351	0.3
61.98706	100.0
68.89360	0.3
69.03329	0.3
71.01261	3.1
71.58006	0.3
72.99181	0.4
73.02843	0.6
78.07486	0.3
78.95757	0.6
81.03367	0.3
85.02840	0.9
87.00755	0.9
89.02316	2.5
89.81755	0.3
95.04885	0.4
97.02835	0.6
101.02322	2.5
109.02851	0.3
109.06503	0.8
111.08022	0.3
113.02352	1.3
119.03428	0.7
125.02348	1.4
125.84660	0.3
131.03409	0.4
143.03430	0.4
161.04449	0.5
179.05579	0.5
207.10176	0.6
209.11803	2.2
209.99948	0.3
210.12099	0.4
211.13342	5.0
220.47298	0.3
225.11317	2.9
227.12903	0.7
235.08241	1.5
236.08644	0.3
253.09331	1.3
277.21735	3.1
278.22134	3.1
289.18097	3.4
291.19745	1.1
293.21170	2.4
309.20541	0.4
397.13492	5.3
398.13812	3.3
399.14017	0.4
415.14484	1.5
416.14960	1.2
461.20355	0.7
737.41724	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.6
57.03319	0.5
57.40923	0.4
59.01249	10.7
61.49734	0.5
62.32000	0.5
69.03301	0.5
70.89539	1.3
71.01248	3.3
72.99154	1.1
73.02821	1.3
77.11033	0.4
78.95763	0.7
81.22065	0.4
83.01265	0.6
85.02834	3.1
87.00766	1.2
87.13937	0.4
89.02324	0.6
95.01267	0.6
96.95856	0.4
97.02838	1.4
98.19991	0.5
99.00747	0.8
101.02306	1.4
105.06979	1.3
109.02847	0.7
111.00793	0.8
113.02332	6.6
119.04916	1.5
125.02349	2.0
131.04947	3.2
133.06493	3.0
137.02354	0.6
143.03438	1.0
147.04424	1.7
149.05988	4.6
150.02483	0.4
153.05438	0.4
185.04364	0.5
192.04156	0.9
207.06567	100.0
208.06909	4.1
209.15410	1.5
254.80728	0.5
371.20651	1.8
413.21753	1.0
485.23901	18.5
486.24194	2.0
527.24939	4.4
590.84485	0.5
751.40106	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24801	1.0
55.52748	1.1
58.86700	1.2
59.01252	3.5
61.76351	0.9
62.95610	1.0
64.65493	1.1
69.68412	3.0
69.68823	5.2
71.01254	24.4
88.03922	6.0
96.95888	3.1
114.01854	12.6
115.00256	36.2
121.02848	3.3
123.04479	1.8
125.02357	4.8
132.02921	17.5
134.03558	1.3
145.02824	1.6
147.04419	4.8
148.05247	5.0
159.04433	1.2
162.03198	1.4
169.01343	2.0
176.04718	2.6
191.07060	14.8
194.05780	1.8
221.05853	1.4
223.07564	2.4
237.05449	2.3
239.07109	3.3
244.09645	1.1
245.09398	1.7
249.05525	2.2
251.07066	7.4
263.07129	2.5
264.07968	1.2
265.04883	2.0
266.05688	2.4
266.08185	1.3
267.06616	34.1
268.07333	5.4
279.06650	23.5
280.07147	2.0
281.08109	3.5
282.08960	26.2
283.09659	6.1
283.92102	1.2
293.04681	1.5
293.08148	4.2
294.09042	15.1
295.09521	2.3
296.10440	1.2
297.07953	2.3
297.11316	31.6
298.11566	1.9
305.06961	2.0
306.07736	2.9
307.08768	1.4
309.07245	1.3
309.10965	5.0
310.07257	7.3
310.10522	1.6
320.09277	2.6
321.10086	2.9
322.07193	17.1
322.10831	1.9
323.08279	6.9
324.08841	2.6
325.09750	6.2
327.12357	5.4
334.10693	2.5
336.08737	4.3
337.09558	9.8
338.10895	7.4
340.11914	8.0
341.10196	19.9
350.10104	3.6
352.11807	13.9
353.10181	37.0
354.10730	2.7
365.12616	2.1
368.15277	1.9
371.11310	4.8
380.15054	1.4
394.12653	2.2
406.12973	4.9
409.11737	7.2
412.14026	14.4
424.13986	31.6
425.14282	4.5
442.15033	5.3
456.12909	1.8
486.14017	17.7
487.14340	2.1
575.18427	2.3
646.21973	2.1
648.19629	3.1
690.20374	100.0
691.20581	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	733.438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53501	1.3
53.78019	1.1
57.03305	3.5
59.01249	16.8
69.63905	6.5
69.64326	2.2
71.01254	23.9
72.99190	8.7
73.02806	1.8
74.23942	1.3
75.00746	25.1
75.01147	2.6
75.94173	1.1
76.25291	1.4
81.83584	1.2
83.01258	2.5
83.04883	1.8
84.02023	1.4
85.02827	23.9
87.00763	7.6
87.01191	1.4
89.02335	4.1
95.01251	6.7
99.00761	15.2
103.00247	2.8
113.02338	22.0
115.00246	2.0
117.01800	4.1
125.09642	2.1
127.11214	2.2
129.01877	2.2
163.11130	1.4
175.02379	3.7
179.63905	1.3
197.42508	1.4
198.38835	1.2
201.11258	20.7
203.44495	1.4
209.11786	19.7
210.12242	1.3
239.65768	1.3
249.06076	1.6
255.23286	100.0
256.23700	8.1
281.80115	1.3
293.59912	1.6
505.30109	3.5
689.41235	14.8
690.42072	1.5
715.42719	53.3
716.43103	15.0
733.43781	76.8
734.43994	16.9
762.31586	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24474	0.2
55.99464	0.2
59.01253	8.2
59.36161	0.2
59.91290	0.2
61.98690	1.0
69.03304	0.2
71.01254	3.8
73.02811	0.3
78.95771	1.1
83.01244	0.3
83.04903	0.5
85.02811	0.5
87.00723	0.4
89.02309	0.9
91.97603	0.2
97.02852	0.3
101.02334	1.5
109.06505	0.3
113.02325	0.7
122.60146	0.2
125.02319	0.6
134.30174	0.2
152.99495	0.7
157.02719	0.2
161.04454	0.7
163.11206	0.5
165.12732	0.3
167.10719	0.3
167.14301	0.6
169.01324	0.3
171.10144	0.5
183.13837	6.5
193.12285	1.7
199.09787	0.5
207.10176	1.5
209.11790	2.8
211.13342	100.0
212.13687	5.2
221.11717	0.3
225.11296	0.8
227.12900	0.9
227.88715	0.2
229.30507	0.3
235.08192	1.7
253.09262	3.5
285.27383	0.3
293.21069	0.4
295.22861	0.6
387.25375	0.5
429.21423	1.6
430.21243	0.3
447.22342	7.5
448.22708	0.7
537.81897	0.3
623.01563	0.3
623.34332	1.6
637.31781	0.3
641.35431	0.9
655.33386	0.5
667.47058	0.3
734.42578	1.1
740.37885	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53875	0.5
55.33924	0.5
57.03317	1.5
58.96861	0.5
59.01257	9.0
61.98679	0.9
64.08612	0.5
65.10853	0.8
69.03329	2.1
71.01248	3.7
73.02775	0.8
74.34011	0.6
78.95783	1.0
83.04874	0.8
84.94987	1.6
85.02817	1.0
87.00755	1.0
89.02316	3.4
93.03358	0.6
95.04904	0.8
101.02306	3.3
107.49416	0.8
111.08041	8.5
113.02322	2.1
119.03368	1.4
125.02330	1.1
137.09566	0.7
149.09587	1.1
152.99455	0.8
161.04482	0.8
167.10680	5.0
177.12793	1.9
179.10680	3.0
179.14378	2.6
195.13811	14.0
196.14157	0.7
205.12297	9.1
223.13348	86.9
224.13766	6.0
230.53810	0.9
235.08176	3.8
237.14998	0.9
246.47293	0.7
247.20638	2.3
253.09273	8.9
255.23312	0.8
273.18506	0.7
291.19666	100.0
292.19983	8.4
303.09006	0.7
325.83978	0.6
368.23434	0.7
370.70273	0.7
459.22293	6.2
479.32196	1.0
497.32776	1.4
509.27512	1.1
524.92401	0.6
527.28772	5.8
733.42206	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	4.5
59.01248	23.1
61.50940	2.1
65.78201	2.2
71.01247	21.3
71.04893	2.9
72.99184	10.6
73.02782	4.4
75.00751	24.4
76.54859	2.1
78.95778	3.6
83.04884	2.3
85.02824	23.9
87.00763	11.8
89.02309	3.7
95.01228	4.0
99.00755	27.8
103.00236	4.9
105.19508	2.7
106.26291	2.0
113.02352	23.1
115.00233	3.2
117.01791	3.0
118.94539	2.0
125.09595	5.5
163.11230	3.8
169.12086	2.7
171.10149	7.8
175.02298	2.9
179.04283	2.1
181.12218	6.3
199.09732	4.3
199.13310	7.2
201.11238	2.9
206.02763	2.1
207.10204	16.1
225.11324	17.2
243.12373	3.3
244.54231	2.4
255.23271	99.6
256.23581	6.1
281.24841	13.7
555.39258	3.3
687.39337	14.8
713.41113	34.8
714.42108	5.2
731.42230	100.0
732.42566	13.4
737.43384	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	732.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	0.8
61.98704	100.0
71.01250	0.4
71.58675	0.3
71.59076	0.4
80.96402	0.3
88.98687	0.6
92.46010	0.3
96.20353	0.3
96.95895	0.8
111.05801	0.3
116.92724	0.6
118.64852	0.3
125.02364	1.0
137.02382	0.8
148.82222	0.3
158.50351	0.3
165.01889	0.3
171.10222	1.6
201.04683	0.3
201.11263	0.7
209.11853	1.2
211.13416	0.7
221.04160	0.3
223.13385	0.7
227.12941	0.4
253.09225	0.4
341.23254	0.5
342.23743	0.4
365.21481	0.3
466.52203	0.3
641.22369	0.5
669.93604	0.4
733.29669	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.3
59.01253	5.8
67.01762	1.6
68.99720	1.2
71.01246	4.0
71.55596	1.2
71.55953	1.8
73.02814	1.2
75.00747	2.1
85.02836	2.0
87.00755	97.5
88.01083	1.3
89.02325	1.7
96.95885	2.4
98.20443	1.2
101.02312	1.3
109.02824	3.7
111.00755	1.2
113.02309	2.7
117.45473	1.1
119.04943	1.4
121.02829	3.6
123.00803	2.3
123.04350	1.9
125.02344	9.1
135.04396	2.0
136.01526	2.0
137.01387	2.0
137.02345	29.0
138.02948	1.3
149.02304	2.8
150.03123	3.0
151.00269	6.7
151.03882	6.1
152.01062	1.7
152.04669	2.1
153.01692	1.1
161.02325	2.3
163.03857	2.5
164.01073	3.1
165.01852	100.0
165.05461	4.7
166.02623	25.1
167.03362	3.8
169.01352	4.0
175.03882	1.7
177.01813	3.6
177.05408	1.1
178.02586	1.9
179.03430	24.8
179.07066	2.2
180.04204	53.1
181.05005	29.9
182.05238	1.7
184.03679	1.7
187.03899	2.2
189.05585	1.2
191.03438	2.3
191.07086	1.5
192.04230	1.7
193.04945	2.2
194.05782	6.6
195.02843	2.8
195.06573	66.4
196.06940	4.0
205.05025	5.6
207.06668	1.9
209.04880	1.3
209.08151	35.2
209.11700	2.5
210.05301	9.7
210.08470	1.8
211.06006	6.5
211.13376	1.2
219.06567	2.3
220.07399	2.8
225.07639	42.0
226.07959	2.2
243.02997	1.4
243.06604	1.3
266.17422	1.3
349.07101	1.1
350.08234	1.1
384.12186	1.2
387.10687	3.9
387.14633	3.0
391.08011	1.4
402.13104	2.6
403.13849	3.0
416.14618	2.2
417.10257	1.8
417.15567	27.8
418.15942	2.8
435.07199	1.9
504.16354	5.8
505.17072	9.9
506.17270	1.4
559.17908	2.5
565.17664	2.1
573.84863	1.2
595.21808	28.6
596.22040	5.8
643.23785	15.0
644.24261	2.2
683.23065	1.5
731.25543	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	731.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97985	1.0
53.74919	0.9
59.01253	9.8
68.05117	1.0
68.34325	1.0
69.03319	1.8
69.29603	9.1
69.30003	1.8
71.01251	1.3
73.02801	1.0
74.61692	0.9
87.00721	1.3
89.80537	1.0
95.01261	1.4
96.95915	2.2
98.20546	2.0
113.02348	2.7
118.08511	0.9
121.02778	1.3
123.00741	2.3
124.01546	4.6
125.02338	60.5
126.02731	1.5
139.00267	1.5
150.03101	1.3
151.03873	1.1
163.86523	0.9
166.99820	1.5
168.00580	8.9
169.01335	100.0
170.01662	4.2
177.01805	1.0
181.12251	3.5
207.06479	2.0
239.86731	1.0
255.06628	1.3
331.06702	5.8
343.06604	1.5
445.09796	12.2
463.10837	3.9
562.11029	1.1
627.22882	17.7
628.22815	2.4
671.21887	13.5
672.22546	1.4
711.82227	1.3
731.23999	11.2
732.24683	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08842	0.9
54.25919	1.1
60.99182	18.5
61.98717	1.7
67.76579	1.1
71.53838	1.1
87.00751	10.3
88.00256	1.1
88.98682	100.0
89.02325	19.8
98.19787	3.9
125.02312	1.7
150.93428	1.1
177.84482	1.1
302.90332	1.3
371.08295	1.2
438.13345	2.4
439.13678	1.3
448.26306	1.1
466.13159	1.4
467.13632	2.8
481.15103	18.0
482.15643	7.5
495.16785	2.1
497.18079	3.8
499.96106	1.1
514.15021	10.0
540.16669	5.3
555.18842	41.0
556.19135	6.4
572.15369	7.9
641.22632	1.4
659.23584	21.2
660.23676	4.6
731.25287	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20498	3.5
53.16498	4.7
57.33997	3.6
59.01250	100.0
69.33183	30.3
69.33603	9.6
71.01247	12.7
71.72466	4.0
73.02819	8.5
81.33736	4.6
85.02804	6.2
92.20930	3.8
98.20519	6.6
101.02314	7.0
135.36301	4.0
315.18219	10.1
522.48163	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	731.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58626	1.6
71.01254	2.5
71.46320	1.5
71.59632	2.0
72.24052	1.4
75.98675	1.6
106.81631	1.3
107.01292	2.8
109.02861	1.4
123.00776	2.7
124.01543	1.6
125.02340	100.0
126.02705	3.6
168.00554	4.5
169.01338	43.9
170.01643	1.4
211.02568	1.9
215.77377	1.5
271.04507	1.8
277.72769	1.4
287.07791	13.3
294.67361	1.6
313.05640	11.0
328.72391	1.6
331.06781	6.6
375.89227	1.7
439.08792	63.2
440.09033	6.7
463.87131	1.8
483.08148	2.8
643.14917	9.7
687.13617	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	729.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.2
58.00483	1.2
59.01248	9.1
61.98696	2.9
69.28087	2.4
69.28490	9.1
71.01244	4.9
73.02817	1.9
83.04902	2.2
85.02823	1.6
87.00755	1.6
88.98666	2.3
89.02319	3.5
93.03254	0.9
95.04916	0.9
98.19709	2.0
101.02315	4.6
111.08015	4.6
113.02328	2.1
119.03318	1.7
125.02368	2.7
125.09602	3.6
127.11171	4.1
135.08003	1.0
137.09633	1.7
161.02425	1.0
161.04472	1.7
163.11214	1.9
165.12784	1.1
169.12300	2.4
171.10161	3.4
178.76334	1.0
181.12198	1.3
185.06090	0.8
189.37543	1.0
195.06584	2.6
195.13838	2.2
197.11787	21.9
198.12218	1.2
199.09647	2.4
199.13339	1.1
201.11270	100.0
202.11592	3.2
205.12306	1.3
209.11780	42.7
210.12079	2.5
211.13347	3.8
223.13356	20.1
224.13635	1.2
227.12856	6.5
235.08223	3.1
253.09277	24.4
254.09418	1.6
263.20142	1.9
265.97797	1.0
291.19714	9.4
309.20706	39.4
310.21112	1.9
405.17783	1.1
438.34146	1.0
459.22220	1.4
493.31934	1.8
498.18594	0.9
562.52588	1.1
627.36035	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	8.2
69.03337	1.6
69.53242	2.2
71.01284	0.5
72.99183	1.3
78.95775	0.9
83.01257	0.6
95.01254	0.7
96.95887	2.1
97.02832	1.2
98.20524	0.6
104.97796	0.4
111.00734	0.6
113.02328	0.7
120.07296	0.3
121.02859	0.7
123.00771	2.5
124.01572	3.2
125.02334	62.6
126.02685	1.9
135.04436	0.5
137.02353	1.0
139.00241	0.7
149.02345	0.5
151.03905	0.4
161.02295	0.4
166.99770	0.8
167.03436	0.6
168.00536	8.5
169.01334	100.0
170.01668	3.7
177.01932	0.6
179.10704	2.4
181.01369	0.8
211.02489	0.5
220.08534	0.4
223.02426	0.6
235.02478	0.5
239.02007	0.4
250.91980	0.4
265.03470	0.5
283.04654	0.7
289.07214	0.4
313.05618	1.8
331.06696	4.5
343.06708	1.3
427.08881	0.9
433.47375	0.4
445.09833	15.6
446.10208	1.3
463.10873	6.5
470.06235	0.4
625.21368	15.5
626.21613	2.0
669.20428	8.8
670.20428	1.5
687.20538	0.4
728.27783	0.4
729.22382	9.8
730.22565	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07633	0.8
58.00471	1.1
59.01253	21.4
63.75035	0.8
71.01254	9.9
71.56068	0.9
71.56467	1.6
78.95795	1.6
83.01251	2.1
83.74582	0.8
85.02821	2.4
87.00723	0.9
89.02316	5.3
93.92735	0.8
94.70216	0.9
95.01271	2.4
101.02320	3.8
111.00802	2.5
113.02344	3.4
119.03374	3.3
121.02858	2.0
123.00769	26.9
124.01555	99.5
125.02307	3.0
138.03128	9.5
139.00279	2.3
139.03909	100.0
140.04268	3.5
143.03392	1.1
152.99495	1.0
153.01788	1.1
161.04436	1.3
169.01320	2.2
176.61005	0.8
179.05475	4.7
181.04956	1.9
203.05545	5.1
219.32817	0.9
265.13312	0.8
276.47507	0.9
283.08191	6.3
331.06668	2.2
341.10895	16.6
342.11502	0.9
343.10352	13.8
344.10864	1.0
344.85397	0.9
510.95255	0.9
615.45685	1.0
726.02466	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1468
Annotation	Procyanidin B5 3'-O-gallate
Peak:m/z	Relative Intensity
57.03326	14.2
59.01244	4.0
66.67257	1.2
69.03330	2.0
69.57178	9.7
71.01244	2.6
75.00751	2.1
81.03288	1.4
83.01251	4.6
85.02834	2.8
93.03308	1.4
95.01286	2.4
95.04891	1.7
97.02827	4.4
109.02843	17.8
121.02835	4.2
123.00773	1.7
123.04421	11.6
125.02340	99.4
126.02705	2.9
133.02853	4.1
135.04414	4.3
137.01404	1.6
137.02368	22.8
139.03912	1.9
145.02885	6.0
149.02356	5.1
151.00317	2.6
151.03893	11.9
159.04424	4.7
161.02368	18.9
161.05988	4.4
162.02908	1.3
163.00304	3.1
163.03894	3.9
164.01071	4.1
165.01837	4.1
166.99744	1.4
169.01352	27.3
170.01689	1.5
175.03922	11.9
175.07486	1.7
177.01854	9.3
179.03406	3.3
181.04973	1.5
183.04321	1.9
185.05975	3.4
187.03958	9.0
188.04697	1.5
191.76939	1.3
193.01364	3.5
198.15091	1.4
199.03854	2.5
201.05499	2.7
203.07040	6.6
205.05031	6.6
209.03026	1.5
212.04619	1.6
215.03650	1.2
217.05003	3.7
219.02829	1.8
225.05576	2.0
227.03482	3.5
227.07042	3.5
229.05077	3.8
241.70215	1.2
243.02950	11.3
244.03346	1.7
245.04495	6.6
245.08159	14.2
253.05005	4.5
255.03026	14.7
256.03705	6.6
257.04477	3.2
259.06116	1.4
267.02917	1.6
267.07104	1.4
269.04504	6.1
271.02478	6.3
271.06094	10.2
273.04007	2.9
281.04590	3.5
283.02457	3.8
285.03995	6.6
287.05484	7.9
289.07181	54.5
290.07468	4.3
297.03949	4.2
299.05679	2.5
300.02637	10.3
301.03662	7.8
303.04883	1.9
321.07639	2.1
321.15164	1.5
339.08624	2.4
363.08734	1.6
381.09985	2.0
389.06903	6.9
407.07736	100.0
408.08243	10.7
425.08920	4.7
433.09329	3.8
441.08182	9.3
451.10419	15.5
481.07910	1.5
505.09955	9.4
541.11981	1.8
559.09747	5.1
577.14148	5.9
603.11169	2.3
729.14404	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	729.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	21.1
66.44486	13.6
71.01257	34.1
71.60024	18.8
75.00741	18.1
85.02821	43.3
97.09689	17.2
107.01251	17.8
107.80209	13.5
109.02851	23.4
125.02374	31.8
127.38313	13.3
131.99437	14.5
134.03639	16.0
150.03116	18.4
151.00259	26.1
169.01253	17.8
178.99844	22.4
182.72063	13.9
193.04962	20.2
241.05150	16.6
257.40939	15.4
301.03461	100.0
316.24030	14.7
446.02777	14.2
463.07074	15.5
477.06827	29.9
730.23639	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	729.1458
Annotation	Procyanidin B5 3'-O-gallate
Peak:m/z	Relative Intensity
57.03326	12.7
69.03345	1.5
70.33743	2.9
80.39283	0.8
81.03326	2.4
83.01263	3.9
93.03335	1.5
95.04897	1.5
97.02838	3.6
107.04945	1.3
109.02836	15.9
117.03365	1.1
121.02826	2.8
123.00758	1.5
123.04414	10.3
124.01565	1.3
125.02338	100.0
126.02664	3.0
131.04887	1.1
133.02853	4.8
135.04430	3.2
137.02336	20.2
138.02841	1.0
139.03864	2.4
145.02856	4.6
146.03653	1.2
147.04379	1.2
149.02345	3.8
150.03069	1.4
150.45071	0.7
151.03903	11.1
159.04434	4.7
161.02347	24.0
161.05978	5.5
162.03059	2.3
163.00264	2.2
163.03899	3.3
164.01027	4.2
165.01883	5.2
166.99866	0.8
167.03377	2.1
169.01334	22.0
170.01654	1.1
173.05968	1.1
174.03195	0.8
175.03909	9.7
175.07587	0.9
177.01846	10.1
177.05437	0.8
179.03383	4.3
183.04428	1.3
185.06024	2.5
187.03964	6.3
188.04689	2.5
189.05518	1.1
191.03406	0.8
193.01424	2.1
199.03923	2.9
201.01866	1.1
201.05513	2.5
202.06236	1.2
203.03482	1.2
203.07068	8.6
204.07344	0.8
205.01376	1.1
205.05008	6.3
209.05968	1.3
211.04036	2.2
213.05443	1.3
215.03395	1.5
217.04958	4.0
219.03064	1.2
221.08025	0.8
225.05571	1.5
227.03447	2.9
227.07158	3.2
228.04185	1.5
229.04985	3.5
231.02916	1.3
241.05035	1.5
243.03018	8.4
245.04489	6.8
245.08179	12.1
247.06178	0.9
253.05023	3.9
255.02963	12.3
256.03751	4.6
256.06238	0.8
257.04431	2.7
259.06116	1.0
269.04587	4.3
271.06107	10.2
273.04095	1.4
279.06689	0.8
281.04510	4.4
283.02554	2.3
285.04013	6.2
287.05576	8.0
288.02689	0.9
289.07181	52.4
290.07672	3.6
297.03992	2.9
297.07657	1.0
299.05554	2.2
303.05084	2.1
321.07565	1.3
331.04681	1.1
339.08655	2.0
345.89194	0.8
349.75201	0.9
363.08694	1.3
381.09729	1.9
389.06601	6.7
397.09842	0.7
407.07690	74.6
408.08151	8.8
425.08737	6.4
433.09357	4.0
441.08234	10.1
442.09116	1.1
451.10416	15.4
452.10587	1.9
559.11157	2.6
577.13757	8.5
578.13794	1.1
603.11572	1.8
729.14795	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	728.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63988	0.3
56.17858	0.4
59.01258	0.8
60.71195	0.3
61.98705	100.0
78.42204	0.3
78.95774	0.5
93.80231	0.4
98.27776	0.4
98.34567	0.4
125.02399	0.5
161.90300	0.4
171.77507	0.4
205.12431	0.4
223.13416	2.6
224.13737	2.6
225.14050	0.9
280.22302	0.5
305.21005	0.4
438.03946	0.4
461.23373	0.4
472.41367	0.4
749.13849	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63988	0.3
56.17858	0.4
59.01258	0.8
60.71195	0.3
61.98705	100.0
78.42204	0.3
78.95774	0.5
93.80231	0.4
98.27776	0.4
98.34567	0.4
125.02399	0.5
161.90300	0.4
171.77507	0.4
205.12431	0.4
223.13416	2.6
224.13737	2.6
225.14050	0.9
280.22302	0.5
305.21005	0.4
438.03946	0.4
461.23373	0.4
472.41367	0.4
749.13849	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51342	0.4
59.01255	3.1
71.01257	3.1
73.02838	0.9
78.95772	1.6
80.02560	1.1
81.03333	0.8
83.01276	0.7
83.04893	2.3
84.02052	0.7
85.02805	0.7
87.00735	1.0
89.02324	1.5
89.21905	0.4
98.46836	0.3
101.02321	2.9
102.38639	0.3
111.22940	0.3
111.44053	0.4
113.02316	1.2
119.03407	0.5
133.05034	0.4
135.08023	0.3
152.99510	0.6
161.04456	1.0
163.11195	2.6
165.12744	1.2
171.10208	0.4
179.05417	0.4
181.12312	0.5
191.10788	0.5
209.11774	69.5
210.12112	3.5
227.12866	7.3
228.13065	0.6
235.08176	4.8
253.09286	8.2
281.24850	100.0
282.25208	9.5
431.22119	0.4
480.74081	0.4
727.44940	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4643
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	2.5
62.43314	0.4
70.77591	0.7
70.77950	1.2
71.01249	3.1
78.95777	1.6
79.15558	0.4
80.02525	0.5
81.03361	0.6
83.01273	0.5
83.04897	2.2
85.02837	1.2
87.00755	0.9
88.32532	0.4
89.02331	1.7
95.04892	0.5
101.02313	2.5
113.02346	1.2
119.03390	0.6
135.08170	0.4
145.05013	0.7
152.99490	0.8
161.04485	0.9
161.19096	0.4
163.11246	2.3
165.12743	1.3
191.10786	0.9
194.13020	0.4
209.11778	61.2
210.12177	4.1
227.12848	8.2
228.13162	0.7
235.08192	4.0
253.09273	7.9
281.24857	100.0
282.25220	9.3
286.85162	0.5
295.22827	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82432	0.9
59.01248	15.0
71.01256	1.3
71.57658	1.3
71.58077	1.2
72.58916	1.2
74.91111	1.0
78.95783	8.2
101.02345	1.4
125.09586	1.4
127.11152	1.9
143.84277	1.1
152.99492	5.0
171.10176	100.0
172.10490	4.1
209.11699	1.6
225.10913	1.2
235.08208	2.1
253.09291	6.4
255.23251	9.3
277.21704	45.2
278.22049	3.2
287.53033	1.1
308.74994	1.3
407.18964	1.3
456.93588	1.3
569.17877	1.2
637.37097	2.3
709.38519	1.9
727.41467	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	727.456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03033	1.9
59.01241	3.3
69.94426	13.4
78.95780	100.0
96.96836	7.3
111.33841	2.0
113.09629	4.2
151.41757	2.1
152.19823	2.3
152.99486	43.2
183.13802	9.3
194.64977	2.1
195.13812	14.5
214.53421	2.6
254.02708	2.1
277.21744	14.0
281.24893	20.2
295.22803	61.0
296.23129	5.0
431.22079	38.6
432.21976	3.5
449.23032	12.6
535.92554	2.6
693.66553	2.3
727.45764	42.8
728.45612	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	727.4552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04088	10.3
63.50637	10.6
71.58532	19.6
78.95773	100.0
95.03610	11.4
139.21304	10.6
152.99498	44.7
166.82246	10.6
279.23367	48.9
300.11075	12.3
311.22028	18.1
447.21576	19.7
727.45746	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	727.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07215	0.5
54.50875	0.5
59.01249	23.9
60.07805	0.5
68.49786	0.4
71.01241	3.7
73.02815	0.8
78.95757	0.8
80.02573	0.5
83.04912	1.3
85.02794	1.1
87.00764	1.1
89.02338	2.0
98.20527	1.6
101.02328	2.4
113.02350	1.8
119.03429	1.3
125.09600	1.1
127.11188	1.1
128.17703	0.5
136.59944	0.5
145.04942	0.7
152.99571	0.6
158.12573	0.5
161.04486	1.8
163.11061	0.6
165.12849	0.9
171.10191	88.7
172.10472	3.0
209.11781	21.9
209.13785	1.2
210.12086	1.9
227.12827	2.2
235.08176	5.1
253.09282	10.5
277.21716	100.0
278.22046	9.3
279.23282	0.8
280.23557	1.1
281.24850	31.7
282.25131	2.4
407.19165	0.6
445.92972	0.6
522.90680	0.6
699.46259	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09058	2.3
59.01253	46.1
65.82063	2.2
71.01237	6.1
71.58601	5.0
78.95758	3.3
82.95263	4.1
84.94991	9.7
85.02831	3.4
87.00765	2.7
89.02380	2.4
101.02366	2.3
103.29184	2.3
110.92072	2.2
111.80279	2.4
113.02332	2.6
117.29268	1.9
125.02306	7.1
127.11189	2.3
151.11182	4.7
152.99419	2.9
161.04376	3.3
169.01303	3.5
169.12267	30.2
171.10185	58.1
171.11638	4.4
183.72916	2.3
235.08122	4.4
253.09248	2.8
277.21719	75.4
278.22244	8.1
281.24738	3.2
482.15302	4.4
483.15579	3.2
515.14996	3.1
556.19208	11.2
557.19360	5.4
643.23273	5.2
675.22522	5.7
709.41174	6.8
727.42767	100.0
728.43439	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	1.1
58.97929	0.9
59.01252	42.0
71.01241	5.7
71.15275	1.0
72.99191	1.1
73.02842	1.0
78.95779	0.9
83.01237	1.0
89.02299	3.6
101.02317	4.3
113.02350	2.0
119.03392	1.6
125.02364	2.0
125.09640	1.9
127.11170	1.5
143.03456	1.0
151.11121	3.3
161.04428	1.5
169.12265	34.9
170.12553	1.6
171.10178	100.0
172.10501	3.3
188.38596	1.0
209.11816	1.7
213.11317	2.5
231.12311	3.6
253.09232	4.5
277.21698	31.7
278.22021	3.5
281.24881	1.2
336.81271	1.0
375.35547	1.1
378.55750	1.1
407.18948	2.6
449.20267	2.7
467.21304	3.2
709.41376	6.9
727.42749	97.8
728.43109	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	31.3
61.98708	9.0
64.31966	5.5
69.95699	19.9
69.96108	9.4
71.01254	24.0
78.95783	5.5
82.95290	7.2
86.62687	5.4
87.00748	5.9
88.98718	6.4
89.02314	13.9
96.95885	10.8
101.02335	10.3
113.02355	12.2
121.02844	5.2
125.02357	14.6
137.02325	6.2
161.04460	7.5
169.01282	9.5
199.13356	6.1
201.11240	48.4
209.11784	15.3
211.13316	16.0
227.12711	6.7
253.09344	16.5
289.18216	14.1
293.21219	100.0
294.21552	5.5
295.33875	6.3
326.33786	5.6
369.24521	5.1
397.13614	29.7
415.14563	46.9
518.66406	7.9
691.34967	7.9
727.33600	34.3
728.34442	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	727.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34752	1.5
57.03316	6.1
59.01255	21.8
64.17049	1.4
67.01730	1.7
69.03312	3.3
69.73743	9.7
71.01260	27.0
72.99181	7.3
73.02816	2.4
75.00751	17.7
77.47776	1.2
79.05494	1.4
81.03318	2.0
83.01254	2.1
85.02826	24.4
85.25040	1.7
85.25723	1.2
87.00748	10.7
87.32945	1.4
89.02309	6.8
91.05569	1.4
93.03368	2.1
95.01257	5.0
99.00755	13.4
101.02335	2.8
107.42296	1.2
109.02834	6.8
111.00755	2.1
111.08029	4.1
113.01608	2.5
113.02341	27.3
115.00265	2.2
117.01849	1.8
119.04917	2.0
121.02876	4.4
123.04402	3.1
125.02360	31.0
134.31622	1.3
137.02341	5.2
139.00200	1.6
142.09869	1.3
149.02295	2.2
149.04512	1.6
150.03194	2.0
151.03857	5.1
157.01410	1.5
161.02367	5.9
163.00322	3.3
164.01048	2.9
165.01814	2.4
165.12773	19.1
169.01340	13.0
175.02455	3.0
175.03914	3.7
177.01854	5.2
178.05638	1.7
183.13843	50.5
184.14211	3.7
187.03958	2.3
199.03874	1.9
205.05061	2.0
209.11740	1.6
215.03473	3.2
216.44307	1.3
217.04987	2.4
227.03516	1.5
227.12761	5.6
229.04970	1.8
241.04933	2.6
243.03116	2.2
245.04398	1.6
245.08127	3.8
249.06096	8.3
251.03531	1.5
255.03116	2.0
257.04584	4.0
260.67181	1.7
266.58234	1.6
267.07242	18.0
269.00928	2.5
269.04446	1.6
272.23203	1.3
283.02274	2.2
285.04114	25.6
286.04477	2.2
289.07172	11.8
303.05121	4.5
307.05994	1.6
309.03949	2.4
327.04987	2.5
373.03574	3.5
389.02740	2.1
390.03403	1.5
407.07617	5.1
415.19867	7.2
418.03241	5.9
419.03906	4.6
423.07245	7.5
435.06784	1.7
449.08676	10.7
450.09528	1.7
452.07486	2.4
459.18875	2.1
539.09808	3.7
551.23523	8.9
557.10699	4.0
575.11914	27.8
576.12421	6.4
623.10541	10.0
624.10944	3.7
667.39532	2.3
689.40479	1.6
709.25305	2.9
727.26593	100.0
728.26886	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	727.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.6
59.01251	20.0
69.03329	0.7
71.01250	3.3
72.99177	2.3
73.02809	1.2
75.00740	1.4
75.54668	0.5
78.95780	5.2
81.03325	0.6
83.01259	1.0
85.02820	2.0
86.96614	0.5
87.00743	0.5
89.02321	1.2
90.14191	0.5
93.48645	0.6
95.01248	0.5
96.95887	0.8
99.00743	1.1
101.02319	1.6
108.02052	30.3
111.00811	0.6
113.02335	2.3
117.51434	0.6
122.03624	1.6
123.04406	17.6
123.05297	1.1
125.02325	3.1
133.10109	0.8
135.11688	2.3
136.13788	0.6
137.02339	1.0
137.09525	0.8
139.03865	0.6
149.02281	0.8
151.30879	0.7
152.01054	57.6
152.99510	2.4
153.01476	2.2
161.04457	1.0
161.09621	0.8
164.04800	0.5
165.05473	0.6
167.03407	100.0
168.03702	2.8
169.01274	1.0
177.01848	0.6
177.05580	0.8
179.10706	14.0
180.10918	0.6
193.04956	0.8
223.06210	0.7
223.09711	4.3
224.09897	0.6
279.23373	0.6
281.13943	0.6
283.11951	0.9
299.05319	0.5
327.21695	0.9
328.22208	0.9
329.77286	0.5
399.12808	0.6
425.10794	0.5
443.11908	62.8
444.12277	6.0
447.21280	0.5
456.63187	0.7
461.12964	23.3
462.13232	2.2
559.20404	0.6
623.23676	3.3
624.24524	0.8
667.22357	8.8
668.23981	1.2
683.38354	0.7
727.24695	9.2
728.25018	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	727.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	8.4
59.01245	32.9
59.08603	4.0
59.94314	4.9
69.03320	8.2
70.25897	4.3
71.01263	22.8
71.50401	8.4
73.02806	8.1
74.42649	4.1
74.87799	4.1
81.03317	6.8
85.02818	58.4
87.00754	100.0
87.52826	4.8
93.03362	4.8
95.01257	25.9
97.02811	38.7
99.04437	5.1
103.03876	9.6
109.02871	10.6
111.00767	9.8
113.02323	19.0
115.00282	13.7
127.03902	14.0
137.02284	8.1
139.00282	16.5
145.04936	4.8
157.01309	14.2
175.02394	51.0
199.02441	31.7
217.03516	19.3
292.18143	4.9
303.07336	12.0
321.08206	8.0
387.09061	6.8
575.03430	4.9
709.19269	9.8
727.19098	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	727.194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.7
57.03327	6.3
59.01254	34.0
67.01772	3.0
69.03328	9.4
71.01254	18.4
71.33086	3.1
71.33422	2.7
72.99168	3.5
73.02825	15.1
81.03327	5.0
83.01264	6.1
83.04933	2.2
85.02827	69.3
87.00754	100.0
87.84874	1.8
93.03342	6.2
95.01247	19.7
97.02831	25.6
99.00785	5.1
99.04384	3.6
101.02315	2.3
103.03902	8.3
108.02021	2.4
109.02847	10.0
111.00761	10.0
113.02340	26.3
115.00248	11.9
125.02315	3.5
127.03887	13.9
129.01808	1.9
135.01152	1.7
137.02351	4.7
139.00296	13.9
141.05530	1.7
145.05026	8.4
149.02380	2.1
155.03427	2.3
157.01366	10.2
169.04955	3.2
171.02962	3.5
173.04532	4.0
175.02400	47.1
181.01355	2.7
199.02423	36.5
205.03549	2.0
209.03004	8.1
217.03525	22.0
220.41962	1.6
223.04567	5.7
241.03552	2.4
241.07147	2.0
253.03459	1.8
270.32993	1.7
285.06467	2.3
303.07211	16.5
321.08218	5.0
345.08243	7.6
359.43021	2.2
387.09250	11.1
388.09686	2.5
405.10486	5.5
521.11273	4.3
563.12592	2.9
565.59125	1.7
581.13452	2.2
623.14386	5.6
633.95410	2.5
667.17419	4.8
709.18469	8.2
727.19476	12.7
728.20276	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	727.1368
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	19.2
68.30627	5.5
85.02820	6.6
89.15049	5.5
98.20586	12.7
109.02936	8.0
111.00787	8.1
125.02326	64.9
134.87500	5.4
135.04440	5.9
137.02307	8.7
139.00301	13.9
142.61983	6.6
146.36794	6.4
149.02367	10.4
151.00261	9.6
151.03970	7.1
152.21246	6.4
157.06396	5.9
161.02338	12.9
163.00328	15.0
165.01834	5.6
166.99609	5.6
175.00317	15.7
177.01869	9.6
178.99776	9.6
187.04024	8.3
189.01915	6.7
243.03018	20.0
259.02460	7.0
271.02408	41.0
285.04010	8.9
287.02042	54.1
288.02396	9.3
289.07205	12.8
299.02155	15.8
315.01456	94.1
316.02164	46.4
317.03012	50.1
425.09442	7.4
461.07413	48.0
478.07669	24.3
479.07947	12.6
521.09052	56.7
522.09644	6.9
683.14740	100.0
684.14581	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	727.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.4
59.01248	3.1
63.02266	10.9
65.00198	5.2
69.24869	8.9
71.01262	2.5
75.00747	4.3
83.01262	6.1
86.89428	0.7
89.02306	0.7
96.95915	0.8
98.20496	1.6
101.02335	1.5
107.01271	17.2
123.00787	2.3
123.04424	1.0
125.02344	17.5
133.06525	0.8
137.02394	1.7
149.02345	1.3
150.03177	1.1
151.00272	30.4
152.00659	0.9
159.04417	2.4
161.05869	0.8
163.00316	0.9
165.01801	0.9
165.05443	0.9
169.01338	35.1
169.02792	1.7
170.01657	1.2
175.03911	1.6
177.01831	2.7
178.99779	100.0
180.00119	3.2
187.03914	4.9
189.05521	1.0
190.02605	0.9
192.13536	0.9
195.06723	1.1
203.03517	1.9
205.01584	1.0
205.05011	10.2
213.01686	1.2
215.03375	1.4
229.04962	1.0
231.02859	1.3
233.04509	29.6
241.01338	1.1
250.81410	0.9
257.04391	1.2
259.02451	7.1
261.04028	1.8
267.02676	0.8
279.06519	0.9
281.04633	1.7
285.03711	0.8
287.02087	6.5
313.05643	10.2
321.03693	1.3
323.05469	1.4
333.03882	1.5
339.04929	1.2
349.03311	1.7
351.05255	1.5
367.04520	4.2
377.02832	1.6
394.02283	0.8
395.04092	23.4
395.09378	1.4
396.04282	1.7
398.30072	0.8
413.05215	3.8
431.50961	0.9
504.42053	0.9
511.75394	0.8
547.10931	4.1
557.09436	3.0
573.09039	1.7
575.10907	1.8
601.08533	4.6
683.38489	2.4
691.09271	1.0
709.10437	21.3
710.10852	3.2
727.11456	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	727.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73231	1.2
57.03321	6.2
59.01250	2.8
69.03311	1.6
69.92059	6.9
71.01254	2.0
81.03318	1.7
83.01257	3.5
85.02844	1.2
93.03350	1.7
95.01263	1.7
97.02826	3.5
98.19849	1.9
108.02068	1.6
109.02845	16.4
121.02841	8.7
123.00788	2.5
123.04418	9.6
125.02341	91.3
126.02652	1.3
133.02885	1.5
135.04405	2.5
137.02348	16.5
138.35846	1.2
139.03934	2.4
145.02853	3.1
147.00778	3.9
147.04382	2.1
149.02345	10.0
150.03098	4.8
151.00214	1.5
151.03946	11.3
157.02739	1.3
159.04398	4.4
161.02356	13.0
161.06020	3.4
161.41664	1.3
162.03127	2.5
163.00288	24.2
163.03958	3.8
164.01106	7.9
165.01840	11.2
169.01343	34.2
169.06560	1.1
171.04448	3.0
173.02336	1.8
174.03030	2.1
175.03917	12.3
176.01024	6.1
177.01845	9.8
179.03404	4.3
182.57651	1.5
183.04460	1.9
184.24756	1.4
185.05963	3.6
187.03873	5.4
188.04602	2.0
190.02667	2.6
193.01376	3.4
197.05975	1.3
198.03099	1.9
199.03957	5.7
201.01831	4.1
201.05565	2.4
203.03456	2.3
203.07060	4.5
205.01384	3.6
205.05020	3.8
213.01886	1.6
213.05489	4.4
215.03467	4.1
217.01360	1.9
217.05112	7.4
227.03448	4.5
229.05115	3.5
239.03510	3.0
241.05038	7.6
242.02287	2.2
243.02937	8.2
243.06613	2.4
245.04546	2.2
245.08183	9.3
247.06020	1.4
253.05043	3.0
255.02931	5.8
255.06441	1.3
256.03488	2.1
257.04498	7.8
258.05212	1.5
264.04282	1.5
269.04510	5.8
271.03296	1.7
271.06100	8.9
281.04541	3.4
283.02469	4.1
283.05862	1.8
284.03262	2.5
285.04044	83.3
286.04404	7.1
287.02362	1.7
287.05670	6.4
289.07187	41.3
290.07434	2.5
297.04083	3.7
300.02652	2.0
301.03610	2.6
303.05045	14.9
307.06168	10.2
309.04059	4.1
313.03598	3.0
319.06183	1.7
327.05103	5.4
335.49115	1.2
387.05338	1.7
389.06635	3.1
407.07675	14.4
408.07886	1.6
411.07156	4.0
418.07117	1.4
423.07224	31.1
424.07385	2.2
431.07709	5.9
434.06207	3.2
435.07181	2.9
441.08054	3.0
447.07300	4.0
449.08777	33.7
450.08832	3.8
452.07526	7.5
453.08258	5.2
471.10864	2.1
513.11584	1.9
531.12518	1.9
539.09869	15.2
540.10254	2.1
557.10791	8.8
558.11108	2.5
575.11932	100.0
576.12354	13.7
601.09894	1.5
727.12372	2.5
727.24860	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.2
70.32205	1.8
70.32597	1.4
78.95778	100.0
83.04867	1.8
83.66436	0.7
96.96362	0.9
96.96856	9.6
105.66563	0.8
111.08018	0.9
134.98383	1.0
145.77026	0.9
152.99487	54.2
171.10167	2.2
194.37762	0.7
195.13745	1.7
197.11801	2.1
221.15303	1.7
223.13298	1.1
235.35060	0.8
277.21732	5.3
279.23297	46.3
280.23627	2.9
291.19745	4.8
292.19952	0.9
293.21176	1.3
295.22784	2.2
309.20715	11.0
310.20792	1.2
311.22095	1.9
333.44821	0.8
362.12308	0.8
413.20901	2.3
415.22549	19.8
416.22736	1.3
431.22321	1.3
433.23621	7.9
445.13904	1.6
445.19937	29.7
446.20074	2.2
447.11969	1.0
447.21332	3.0
463.20944	6.1
464.21408	1.1
725.43921	31.3
726.44012	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	725.4401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52597	1.6
57.81969	1.5
59.01246	1.8
59.55517	1.5
60.63942	1.6
61.98721	1.9
70.37977	1.7
75.93362	1.5
78.95777	100.0
84.94521	1.5
96.31680	1.7
96.96869	7.2
98.20541	5.1
112.96908	1.6
125.58073	1.4
152.99496	46.0
171.10170	11.1
189.89998	1.5
195.13890	12.7
207.10214	1.8
223.13329	2.3
229.58463	1.9
241.01215	5.6
255.23279	10.2
258.48074	2.0
260.20261	1.7
275.20050	2.2
277.21817	7.6
281.24860	4.3
281.38419	1.5
289.71176	1.6
293.21252	19.4
294.21597	3.5
295.22787	33.3
429.20404	20.2
430.20801	2.0
431.22037	25.2
447.21484	7.0
449.23013	6.0
630.08167	1.9
725.44519	33.4
726.43353	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	725.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.6
57.03326	1.8
59.01255	7.4
59.81944	0.5
61.98699	0.6
65.74920	0.5
69.03317	0.8
71.01249	6.6
71.35833	1.1
73.02816	0.9
83.01247	1.3
85.02828	1.3
87.00756	0.7
89.02338	3.9
93.65572	0.6
95.01250	0.9
95.04943	1.1
97.06470	3.4
101.02326	4.0
102.02502	0.6
113.02364	2.6
119.03445	1.1
125.02312	2.7
151.11195	14.9
152.11423	0.7
161.02341	0.6
161.04462	1.1
165.09131	0.5
167.58710	0.5
169.01318	1.0
169.12260	100.0
170.12590	4.7
177.25726	0.6
179.05453	0.6
195.10190	2.2
195.13876	4.1
209.08121	0.9
209.11746	1.1
213.11278	12.8
214.11542	0.8
223.13379	1.7
235.08255	1.6
253.09270	3.5
275.20163	1.8
279.19431	0.8
289.95529	0.5
293.21262	16.2
294.21597	1.8
320.75980	0.7
420.94739	0.5
431.19061	3.0
449.20282	8.5
450.21024	0.7
583.36145	0.6
661.62823	0.6
725.41180	84.2
726.41553	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.6
59.01259	7.5
61.98692	0.9
62.53350	0.7
62.53995	0.7
69.03315	1.0
70.57037	1.3
70.57410	1.3
71.01244	3.3
73.02825	1.0
73.27937	0.6
78.56695	0.6
78.95794	1.6
85.02837	0.7
87.00730	1.0
89.02299	1.6
97.02895	0.8
101.02328	3.0
111.08055	4.5
113.02324	1.3
113.29237	0.8
125.02319	2.5
146.16458	0.9
148.36690	0.8
153.12764	1.6
161.04425	1.3
169.12241	7.9
171.10150	1.4
181.12292	0.9
195.13843	1.2
197.11775	100.0
198.12108	5.1
199.13304	1.7
209.11800	3.1
211.13458	3.4
213.11255	1.1
223.13380	1.1
227.03477	0.8
235.08189	4.2
253.09267	10.5
263.20203	1.4
279.19659	1.9
279.23599	0.8
289.07269	0.9
291.19647	10.7
293.21255	2.0
294.21735	1.2
309.20709	26.5
310.21130	2.5
433.20895	1.7
725.41650	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	2.5
64.35999	1.6
71.01235	2.2
78.95777	100.0
81.81748	1.5
83.04910	3.4
96.95854	3.2
96.96828	8.4
150.40378	1.9
152.99492	44.0
155.10669	4.3
163.11127	2.6
171.10178	6.1
199.09593	2.3
209.11778	40.2
210.11969	2.0
211.13318	10.8
229.14351	8.2
329.23196	14.3
363.12076	6.7
381.13290	2.0
395.14783	6.5
411.91583	1.9
447.79645	2.0
465.22321	13.2
470.51962	2.1
483.23328	2.2
693.36151	30.7
694.36328	5.1
725.38757	31.3
726.39850	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	725.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59372	4.1
59.01259	17.4
63.42320	3.4
64.98898	3.0
65.92848	3.2
71.01251	10.8
78.95744	5.7
80.96370	8.8
81.95335	3.5
82.95975	4.6
85.02813	7.9
87.00756	4.5
95.30221	3.5
98.20551	8.9
101.02323	7.4
113.02344	6.4
125.02334	8.0
127.32533	3.8
156.00365	3.3
163.11201	4.3
171.10104	6.7
183.86546	3.2
207.10197	4.2
209.11774	100.0
210.12086	5.5
211.11465	6.5
211.13347	78.5
219.82310	3.6
225.11220	4.6
227.12875	25.1
230.40294	3.9
235.08182	6.6
240.09541	3.8
253.09367	8.8
386.87537	3.7
397.13382	6.1
445.20853	8.8
447.22241	6.1
639.33319	5.4
725.34393	34.9
726.35455	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	725.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62593	0.4
57.03311	0.8
59.01252	11.6
69.03329	2.0
71.01261	2.1
71.04888	0.7
71.50546	0.9
73.02802	0.4
78.95797	0.4
83.04861	0.5
89.02325	1.7
97.06461	0.5
101.02332	1.9
113.02340	0.5
118.88523	0.4
119.03397	0.7
125.02345	0.5
135.11653	0.6
145.04974	0.5
149.09634	0.5
161.04500	0.9
166.43536	0.5
167.10686	2.8
177.12811	1.0
179.10699	0.9
179.14319	3.2
195.13844	9.5
196.14236	0.4
197.11783	5.4
205.12291	9.6
206.12593	0.5
223.13356	100.0
224.13675	6.0
235.08228	2.9
253.09312	5.5
258.56369	0.4
260.75967	0.5
291.19684	0.7
309.20636	1.2
394.19427	0.4
407.64316	0.4
411.25131	0.8
429.26492	0.6
441.21289	1.9
459.22406	13.1
460.22623	1.1
647.34326	0.8
665.35327	1.3
700.76440	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13188	0.6
57.03306	0.9
59.01254	14.0
69.03320	2.7
71.01248	2.6
71.04891	0.6
73.02803	0.9
83.04899	0.9
85.06453	1.1
87.00743	0.9
89.02319	2.7
101.02302	3.7
108.24288	0.6
109.06478	1.3
111.08051	2.1
113.02374	1.0
118.58213	0.7
120.47088	0.6
125.09570	0.9
127.52322	0.7
134.50688	0.6
161.04465	1.6
167.10686	3.3
169.12224	2.3
174.81209	0.6
177.12798	0.9
179.10692	1.1
179.14301	4.2
195.13866	10.8
197.11771	36.4
198.12083	1.1
205.12276	10.4
206.12755	0.8
211.13306	1.8
223.13348	100.0
224.13669	6.1
235.08162	4.0
253.09293	8.4
254.09706	0.8
291.19708	3.8
309.20697	8.7
411.25366	1.3
429.26291	1.3
441.21414	1.9
459.22321	12.1
460.22617	1.9
647.34546	1.5
665.35248	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	725.352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06855	8.4
59.01258	100.0
61.65829	7.6
70.16318	16.6
70.16730	26.9
71.01250	21.8
75.57474	7.4
78.95770	19.2
85.02840	18.6
87.00731	7.4
95.99853	8.4
96.95889	18.6
101.02328	14.6
113.02361	17.6
123.13474	7.5
125.02334	24.1
137.02316	9.4
163.11194	10.4
169.01346	8.0
171.10135	10.0
183.13731	8.3
209.11769	69.4
211.13359	56.7
227.12927	16.6
249.06218	11.9
253.09317	10.2
325.09756	9.7
343.98737	8.9
394.35242	8.7
477.98419	8.7
515.14056	11.6
725.26093	78.4
726.27545	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	725.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	2.8
59.72833	0.6
63.41529	0.6
71.01238	2.9
71.22037	1.4
75.00730	2.3
77.28909	0.6
78.95764	2.3
83.98605	0.7
85.02826	2.1
87.00741	1.4
96.95913	0.7
99.00761	1.4
113.02305	4.1
143.65114	0.7
301.21719	100.0
302.22012	9.4
379.08737	4.4
490.25653	0.7
681.31250	17.3
682.32056	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.1
59.41393	0.9
64.88113	0.9
65.00203	1.3
83.01205	1.1
91.24223	1.0
106.27623	1.0
107.01239	2.5
117.42770	1.0
125.02259	1.1
129.71590	0.9
151.00249	3.3
152.01155	1.1
163.00314	2.0
169.01436	1.4
172.82768	1.0
178.99783	1.8
183.04407	1.5
187.03940	0.9
211.03865	1.8
227.03447	39.2
228.03839	3.7
229.04965	3.5
229.22867	1.1
255.02965	76.8
256.03497	11.8
257.04483	2.7
283.02304	2.7
284.03259	100.0
285.03925	27.2
286.04254	1.4
341.42029	1.0
418.97177	1.1
445.93799	1.2
593.14691	1.7
704.40448	1.0
725.19281	64.2
726.19592	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	725.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.4
57.03331	0.4
58.35676	0.2
59.01256	3.5
60.91585	0.3
70.32864	0.8
71.01250	3.3
73.02806	0.5
73.89197	0.3
75.00732	0.3
83.01273	0.5
85.02830	1.5
89.02318	1.1
91.95023	0.3
95.01279	0.4
98.20399	0.5
99.00753	0.8
101.02317	1.5
102.08703	0.3
113.02342	1.7
119.03369	0.3
119.04909	0.6
121.02848	1.6
123.00815	0.4
124.01558	1.5
125.02345	6.1
135.04401	2.6
137.02361	0.4
147.04424	0.4
148.01569	0.4
149.02344	5.5
149.05983	0.5
150.03091	0.4
151.03938	0.4
161.02350	0.5
161.04472	1.1
161.05894	0.7
163.03914	3.9
164.04716	4.3
169.01317	0.4
171.10164	0.5
175.03963	0.4
209.06140	0.4
225.05530	0.7
226.06438	0.3
227.07083	0.3
229.08719	0.5
234.41872	0.3
238.06363	0.6
242.05740	0.7
252.04147	0.4
253.05026	2.6
254.05763	1.3
255.03070	0.6
257.08139	0.5
258.06305	0.3
267.06769	0.5
268.07343	0.8
269.08176	22.4
270.05402	9.7
270.08493	2.0
271.05743	0.7
283.10251	0.3
285.07678	24.4
286.08081	1.5
300.10034	18.8
300.13492	0.7
301.10358	1.6
313.93945	0.3
315.12384	100.0
316.12701	8.6
316.16388	0.6
327.21744	2.4
342.87756	0.3
357.13226	0.3
415.14380	0.3
459.16602	4.1
460.16672	0.3
477.17700	11.3
478.18124	1.2
503.31549	0.5
519.18726	3.7
520.18890	0.7
521.33386	0.5
664.36664	0.4
665.37555	2.5
681.20636	0.4
683.38855	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	14.7
59.01254	35.9
71.01260	33.8
71.59849	6.6
72.99174	11.6
73.44919	5.0
73.52322	4.5
74.36808	4.5
75.00734	19.4
77.67287	4.3
83.01275	10.9
84.42952	4.6
85.02834	40.5
86.48033	4.6
87.00755	8.8
89.02325	6.4
95.01278	12.9
96.95881	6.5
97.02831	7.2
99.00774	13.2
101.02314	6.8
108.02056	92.9
109.02852	37.0
113.02363	26.3
115.00315	5.2
118.77484	4.3
119.04900	5.4
121.02850	8.2
123.04390	6.1
125.02341	49.8
126.63087	4.5
133.02876	7.0
136.01485	7.8
136.85887	4.6
137.02336	20.7
143.04924	5.1
145.02875	6.4
149.02415	5.0
150.03084	8.5
151.03909	11.8
152.01074	94.6
153.01825	22.2
159.04425	14.0
160.65231	4.5
161.02338	10.1
161.04547	6.0
161.05920	5.5
161.22545	4.4
163.00269	5.9
163.03943	9.4
165.01813	9.4
167.03407	10.7
169.01323	4.8
171.04457	15.7
174.03070	14.8
175.03920	13.8
177.01808	11.7
181.12314	6.2
183.04359	6.5
187.03949	20.7
188.04686	15.5
189.05501	30.1
191.03558	7.2
197.02423	5.7
198.03178	13.5
199.03885	26.2
203.03395	10.2
211.03925	7.8
213.01816	7.4
213.05591	5.4
214.02737	9.0
215.03438	27.6
217.04994	29.2
219.02916	9.2
227.03459	76.1
239.03398	8.6
243.02956	41.1
245.04518	7.6
249.05699	8.5
252.04189	4.7
253.01460	8.8
254.05698	5.6
255.06628	14.9
257.04483	5.4
267.07477	10.6
271.02551	20.1
271.06058	15.5
277.04831	5.4
281.04602	19.2
283.02551	10.9
284.03128	7.5
285.03809	9.3
286.04291	5.8
286.08264	9.1
289.07108	15.8
299.05542	10.1
301.10901	17.6
305.04520	9.4
315.07153	36.2
317.10226	6.5
319.06110	11.1
323.05728	7.7
347.05588	16.6
355.04703	5.2
365.06653	16.5
367.04709	9.5
373.03577	15.7
391.04578	21.1
409.05795	13.9
515.12140	9.2
525.10284	32.2
545.09283	12.1
551.08862	6.5
559.10571	10.0
569.09515	69.4
570.09839	11.5
587.10443	18.1
645.12280	11.4
663.13702	18.8
676.53467	6.6
681.15723	18.1
681.19849	19.0
681.30170	8.2
689.11230	8.1
707.12543	18.2
725.13892	100.0
725.25763	25.9
726.14044	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	723.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.4
57.03316	0.3
58.00450	0.3
59.01250	5.6
71.00888	0.4
71.01259	4.6
73.02811	0.9
78.95780	0.5
79.46979	0.3
80.02561	1.3
81.03323	0.8
83.01257	0.9
83.04899	3.8
84.02020	0.6
85.02824	1.2
87.00748	0.9
89.02315	2.5
95.01283	0.4
95.04880	0.7
101.02320	3.5
102.83462	0.3
109.06455	0.3
113.02328	2.0
119.03368	0.7
125.02339	0.3
125.05956	0.5
135.08069	0.8
145.04973	0.5
161.04482	1.3
163.11174	3.5
165.12781	2.2
171.58673	0.3
181.12257	0.5
191.10689	0.9
207.10141	0.6
209.11769	87.6
210.12114	5.6
227.12825	10.6
228.13155	0.6
235.08188	6.1
252.18358	0.3
253.09277	10.8
254.09641	0.4
257.86853	0.3
275.20285	0.4
277.21713	100.0
278.22049	8.9
288.85944	0.4
326.27405	0.3
381.16306	0.4
388.33707	0.3
457.33902	0.3
727.71484	0.3
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	Trungapeptin B
Peak:m/z	Relative Intensity
59.01250	7.5
71.01255	5.7
73.02813	2.1
78.95777	1.1
83.55209	0.6
85.02826	0.8
85.11929	0.5
87.00775	1.3
89.02331	3.4
101.02325	5.2
111.08063	1.4
112.01540	0.5
113.02341	2.1
115.33440	0.6
119.03374	1.1
133.04987	0.7
152.99521	0.8
161.04445	1.5
165.12767	9.3
183.13829	73.4
184.14169	3.2
192.60365	0.6
209.11749	7.3
227.12862	5.1
235.08179	3.7
253.09196	6.0
254.09671	0.6
277.21725	100.0
278.22104	8.9
445.20621	1.7
463.21832	2.8
464.21707	0.7
487.19421	1.8
537.00146	0.6
723.43219	51.6
724.43579	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	723.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	5.4
60.04416	0.4
66.92605	0.4
69.38971	2.1
69.39410	2.1
70.61348	0.5
71.01256	4.2
72.99211	0.5
73.02832	0.8
78.95798	1.1
83.01247	0.6
83.04867	0.4
85.02821	1.1
87.00756	1.0
89.02318	2.1
101.02324	2.9
111.08042	0.6
113.02348	2.0
119.03400	0.7
146.28839	0.5
152.99486	0.7
161.04510	1.6
165.12776	5.8
166.13004	0.7
179.05563	0.5
183.13835	100.0
184.14175	5.5
204.69098	0.5
209.11780	3.4
227.12857	6.5
235.08217	3.8
253.09340	5.7
277.21725	36.5
278.22104	3.4
334.59705	0.5
337.16394	0.5
398.23093	0.5
419.22891	1.2
445.20667	2.1
463.21875	5.5
526.34570	0.5
723.43243	50.8
724.43597	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	723.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64082	0.3
53.25121	0.3
59.01254	4.9
61.38916	0.3
69.41119	2.7
69.69706	0.3
71.01252	3.5
73.02814	1.3
77.07519	0.3
80.02544	1.1
81.03334	1.1
83.01264	0.5
83.04902	3.5
84.02058	0.6
85.02827	0.8
87.00767	0.6
89.02323	2.0
95.04912	0.8
97.02852	0.3
97.06400	0.3
99.00741	0.4
101.02316	2.8
113.02309	1.7
119.03400	0.8
124.24586	0.3
125.06038	0.4
133.04977	0.3
135.08066	0.8
145.04959	0.7
153.86768	0.3
161.04471	1.4
163.11182	2.8
165.12814	1.9
191.10760	0.9
209.11772	79.7
210.12128	4.8
227.12819	8.7
228.13222	0.6
235.08208	5.2
253.09267	8.7
254.09819	0.7
259.20499	0.4
272.81973	0.3
275.20181	0.7
277.21722	100.0
278.22089	10.5
333.66248	0.3
536.10657	0.4
638.01825	0.3
724.38031	0.3
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
55.01755	0.3
58.00459	0.2
59.01257	3.7
63.48165	0.2
69.60549	0.8
69.60982	0.7
71.01254	3.9
72.99190	0.3
73.02812	0.8
78.95807	0.4
80.02542	1.2
81.03335	1.4
83.01272	0.6
83.04898	4.2
84.02050	0.7
85.02834	0.7
85.99952	0.2
87.00758	0.5
89.02331	2.0
95.01273	0.4
95.04898	0.7
97.02877	0.2
101.02328	2.3
104.23425	0.2
113.02350	1.6
119.03395	0.4
120.18872	0.2
125.06003	0.3
135.08044	0.8
145.04979	0.3
147.11694	0.3
152.99556	0.3
161.04475	1.4
163.11214	3.1
165.12756	2.6
179.05524	0.5
181.12224	0.6
191.10693	1.0
199.13246	0.2
209.11774	100.0
210.12106	5.3
227.12848	10.2
227.15123	0.4
228.13145	0.6
235.08191	2.7
251.12859	0.2
253.09277	9.0
254.09660	0.5
277.21722	71.4
278.22083	6.4
445.20834	0.5
618.39038	0.2
723.42853	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71558	0.2
55.83881	0.2
59.01252	2.9
71.01250	2.3
73.02818	0.4
80.02541	1.1
80.37259	0.2
81.03347	1.1
83.04894	4.5
84.02034	0.6
85.02823	0.7
87.00744	0.5
89.02328	2.0
95.01272	0.2
95.04893	0.5
96.13757	0.2
101.02336	1.8
109.06438	0.3
113.02341	1.2
119.03416	0.3
125.05961	0.4
135.08044	0.5
161.04507	1.0
163.11208	3.7
165.12770	1.7
179.05522	0.3
181.12263	0.4
191.10728	0.7
209.11769	100.0
210.12099	5.7
211.13326	0.3
227.12839	10.5
228.13123	0.6
235.08224	1.2
253.09271	7.2
254.09653	0.3
277.21719	46.3
278.22095	4.4
293.21133	0.2
445.20813	0.8
469.14078	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	2.5
78.95777	37.2
80.02537	1.7
81.03337	1.2
83.04893	6.2
84.02068	1.3
96.96854	2.7
98.20551	1.9
107.06399	0.8
109.95332	0.7
112.98740	0.9
125.06014	1.1
127.32551	0.8
152.99490	49.5
153.99936	1.0
163.11174	4.7
165.12756	3.5
171.00539	3.8
191.10681	1.3
209.11768	100.0
210.12080	6.3
227.03191	4.4
227.12823	12.0
245.04161	1.2
253.21689	19.4
254.22058	1.6
277.21640	1.1
293.21167	1.5
363.12216	3.5
395.14743	2.8
429.20343	1.8
437.15741	3.1
455.16846	9.0
469.18372	1.5
487.19476	72.2
488.19662	7.7
656.27039	1.0
691.38470	7.0
723.40900	43.5
724.41260	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	723.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	4.5
60.33738	1.0
61.98704	1.1
70.22461	2.2
70.22852	1.9
78.95775	100.0
96.96839	9.9
117.51113	1.1
130.48721	0.9
134.98407	1.2
152.99490	55.1
167.10710	1.0
195.13843	8.2
209.11919	1.6
223.13348	5.8
224.81955	1.0
275.20172	4.4
277.21515	1.1
279.23352	1.9
293.21213	48.8
294.21518	3.0
423.25363	1.9
429.20456	43.0
430.20844	3.7
447.21445	13.8
512.35229	1.4
723.42493	35.5
724.42523	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	723.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	6.2
66.92178	0.4
69.03310	0.7
71.01259	4.2
71.14240	0.8
73.02836	0.9
78.95772	0.5
80.02541	0.8
81.03334	1.5
83.01287	0.5
83.04902	3.7
84.02026	0.4
85.02829	1.0
87.00751	0.8
88.33418	0.4
89.02313	4.0
95.04919	0.7
101.02317	3.5
109.06461	0.5
113.02313	2.5
117.75623	0.4
119.03391	1.2
125.02316	1.1
125.05940	0.6
125.09625	0.4
135.08060	0.8
145.04990	0.5
147.04688	0.4
161.04538	2.1
163.11232	3.3
165.12737	2.2
167.10762	0.5
167.14290	0.6
171.10201	0.7
179.05548	1.0
179.14392	0.4
181.12332	0.5
183.13844	7.3
184.14172	0.4
191.10652	0.6
193.12244	1.5
195.13823	4.2
198.51042	0.4
205.12248	0.5
209.08496	0.9
209.11774	76.6
210.12115	5.3
211.13338	100.0
212.13683	6.4
223.13295	2.7
227.12877	7.6
228.13382	0.7
235.08231	4.5
253.09271	17.7
254.09653	0.4
275.20123	4.0
276.20468	0.7
277.18600	0.8
277.21719	37.7
278.22040	3.9
293.21225	53.9
294.21530	4.6
445.20615	0.7
447.22479	3.6
448.22556	0.4
452.11862	0.4
479.25342	0.4
487.33755	0.5
529.95386	0.4
637.51221	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	6.4
59.01253	32.4
71.01250	25.7
71.36921	4.5
72.99181	7.0
73.02817	4.9
75.00764	15.7
83.01272	3.0
83.04902	6.1
85.02819	20.4
87.00724	5.2
89.02312	9.8
95.01241	4.2
95.70760	2.4
99.00773	6.5
101.02319	8.6
113.02312	19.6
115.00278	2.2
119.04901	6.8
121.02853	3.0
125.02340	24.3
125.09614	2.8
129.01846	2.4
134.03575	2.9
137.02348	2.9
145.02838	4.9
150.03085	2.8
163.03949	5.3
163.11160	2.2
165.05441	2.3
169.01338	11.0
169.12180	3.1
171.10127	5.8
175.00319	2.8
177.01849	5.3
179.03429	3.0
201.11256	26.1
209.11768	100.0
210.12164	5.2
227.12938	13.2
235.08047	3.2
244.54881	2.3
249.06055	4.1
253.09285	7.3
267.07251	4.0
289.07150	3.0
305.06863	2.6
315.12213	3.6
365.84344	2.4
445.20761	4.2
547.13782	2.5
679.34100	5.4
723.38403	32.2
724.38147	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	723.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37952	3.7
57.03327	7.0
59.01250	75.2
61.21434	3.9
61.98699	5.1
69.03300	5.7
69.47932	32.0
71.01253	70.7
72.99181	9.7
73.02831	8.7
75.00750	7.5
78.95778	100.0
80.96407	4.8
81.03316	6.1
83.01248	10.8
83.04900	11.5
85.02837	27.5
87.00760	17.2
89.02320	49.0
93.03291	5.5
95.01219	6.2
96.95892	8.2
96.96854	7.0
97.02834	9.6
97.06471	9.6
98.20512	9.1
98.23968	3.6
99.00755	6.1
101.02329	43.0
113.02338	32.2
116.92729	4.2
119.03365	21.9
121.02820	3.5
121.06396	3.8
123.04408	5.3
123.08009	5.0
125.02325	27.9
125.09621	22.3
137.09625	5.4
139.03822	4.7
141.12801	3.8
152.99490	42.1
161.04503	4.8
163.11209	10.1
165.12674	5.3
167.10692	6.3
169.01268	8.9
171.10210	14.3
179.05545	11.1
181.12134	4.0
185.11768	15.8
191.10730	5.4
191.14380	15.5
207.10234	9.0
209.11769	86.6
210.12143	7.9
211.13347	15.4
213.14871	7.8
221.06441	4.5
225.11157	13.4
226.11650	4.5
227.12904	18.7
229.14394	6.1
235.08215	8.9
245.19096	32.7
253.09259	4.7
263.20135	9.0
289.18069	93.9
290.18393	5.2
307.19144	57.3
327.21643	4.5
381.13016	5.3
397.13388	10.5
415.14548	14.8
463.20956	13.3
569.21844	4.2
667.78058	4.8
679.34497	6.9
691.34698	33.3
692.35083	4.4
723.37354	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	723.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	9.9
59.01252	26.0
59.36101	9.9
61.98699	30.1
64.59308	9.2
71.01264	20.4
71.59368	12.0
78.95775	68.1
78.96127	7.3
83.04892	9.7
101.02335	11.1
125.02367	17.8
137.09598	15.6
142.58313	9.1
152.99504	35.3
171.10164	29.2
193.08334	9.6
197.11800	41.6
207.10060	28.6
209.11777	100.0
210.12148	14.6
211.13335	39.7
253.09276	20.0
269.28421	10.7
289.18018	20.5
293.21313	22.9
309.20737	41.2
313.17798	32.5
391.20749	9.9
417.53552	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	723.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	17.3
59.01257	44.9
61.98707	23.2
65.45996	11.0
71.01257	38.6
72.99185	10.5
78.95769	25.1
80.96362	16.1
82.96002	15.6
85.02822	31.1
88.98695	12.6
89.02303	15.1
96.95920	18.3
101.02303	18.3
113.02290	10.7
125.02332	45.0
125.09650	16.2
153.59471	10.4
169.01195	12.8
171.10205	23.5
173.44975	12.1
201.11244	53.2
209.11812	68.2
211.13312	29.3
223.13315	100.0
227.12814	19.5
229.36235	12.2
253.09331	27.1
301.67731	14.2
372.64301	13.8
459.22421	30.4
637.33264	12.1
643.32941	19.3
723.32465	59.2
724.35645	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50344	1.6
52.66719	1.6
59.25180	1.6
66.31509	1.4
67.27582	1.6
70.21001	1.7
71.58077	2.1
78.95770	6.4
95.03770	1.6
107.01258	3.5
108.02058	2.0
151.00276	12.8
152.99467	2.2
156.33476	1.6
163.00200	2.8
169.01285	2.1
178.99748	6.1
199.03981	2.8
209.11774	19.4
211.13361	5.4
226.02635	6.4
227.03453	6.1
243.02959	24.1
253.09380	1.9
254.02162	5.8
255.02931	27.1
256.03375	3.2
271.02484	100.0
272.02957	12.9
277.21655	7.3
293.21280	5.1
299.01874	2.2
300.02737	87.3
301.03433	37.5
302.03702	2.7
343.04712	1.8
362.20093	2.0
463.08667	3.8
573.29547	2.1
723.30188	77.2
724.30695	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	723.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17442	1.5
57.03329	15.2
59.01252	12.3
69.03337	1.5
71.01257	11.3
72.99193	4.1
73.02836	2.9
75.00758	10.6
76.62543	1.4
81.03344	3.7
83.01274	6.3
83.04921	2.8
85.02827	9.5
86.97117	1.3
87.00751	3.2
89.02312	2.4
93.03363	3.8
95.01281	1.9
95.04922	1.3
97.02836	1.9
99.00761	3.8
101.02325	2.9
107.04929	1.4
108.02023	1.6
109.02847	13.5
113.02357	10.5
114.00471	1.4
117.03302	1.7
119.03440	1.2
119.04923	5.6
121.02853	4.0
122.03665	1.5
123.00777	2.1
123.04422	8.6
125.02347	100.0
126.02673	3.5
129.01898	2.1
129.34151	1.4
133.02872	7.6
135.04430	3.9
137.02342	19.9
139.03944	2.4
145.02873	5.4
147.04437	1.3
149.02373	4.7
151.03906	7.9
157.01201	1.4
159.04413	5.9
161.02364	24.2
161.04585	1.6
161.06044	4.5
162.02786	1.3
163.00339	4.0
163.03966	6.5
164.01122	3.0
165.01813	7.5
165.81801	1.5
167.03400	2.5
167.31396	1.2
169.01393	3.7
173.05931	1.8
175.03912	11.9
177.01874	11.4
179.03461	3.6
185.06033	2.0
187.03995	7.9
193.05046	1.7
199.04143	2.7
201.05611	3.5
203.06992	6.4
205.05048	5.3
211.03917	2.8
213.05515	2.8
217.05005	3.3
217.08754	1.3
219.02899	2.3
225.16064	2.9
225.37672	1.3
227.03566	3.5
227.07028	1.9
229.05035	4.1
231.02777	1.5
233.60010	1.7
241.05150	3.6
241.43474	1.2
243.02950	6.8
243.06708	1.7
245.04469	4.8
245.08142	8.3
249.06129	2.2
253.04980	2.0
253.08743	2.6
255.02966	8.8
256.03705	5.3
267.07104	2.8
268.03952	1.5
269.04565	38.3
270.05212	3.9
271.06091	9.6
272.06442	1.4
273.03976	2.1
281.04523	4.0
283.02567	2.1
284.03796	1.3
284.06870	20.2
285.04034	7.4
285.07529	5.1
287.05569	6.4
289.07184	37.4
297.04016	2.4
299.09241	32.6
300.09607	3.7
309.08188	1.8
381.10037	2.7
389.06552	4.8
407.07736	83.5
408.08081	8.5
425.08807	4.9
429.10852	1.9
433.09171	4.5
435.11023	6.7
437.18988	1.6
451.10455	10.6
451.33163	1.8
457.13742	1.8
553.11707	6.4
559.12323	3.1
571.12421	5.0
577.13843	6.9
578.14203	1.6
592.91821	1.7
597.13971	2.0
663.35999	2.7
677.49591	25.2
679.18762	17.3
685.39740	2.8
734.54681	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4896
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27338	0.7
59.01252	100.0
69.55392	6.3
78.95779	4.5
79.57663	0.8
86.95163	0.9
91.03889	2.1
93.84727	0.7
94.02332	0.7
101.46302	0.7
112.63081	0.7
122.64133	0.7
152.99458	2.4
158.43346	0.8
195.13805	1.9
221.15366	1.1
277.21741	2.2
291.19699	3.4
293.21252	1.1
295.22766	20.6
298.57211	1.0
309.20700	11.2
310.20972	1.4
333.81415	0.8
520.06555	0.8
587.43146	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	723.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	14.3
59.01231	1.7
64.02289	0.8
70.41530	1.4
70.41913	1.7
71.01261	0.8
78.95765	2.1
81.03336	1.1
83.01263	3.0
84.68384	0.7
85.02788	0.8
89.03850	1.1
93.03361	0.9
95.04904	1.0
95.13531	0.7
96.95877	0.8
97.02823	1.8
107.04903	1.9
109.02828	11.4
117.03349	1.4
119.04884	2.2
121.02837	2.4
123.04417	6.0
125.02339	100.0
126.02658	3.2
131.04868	1.4
133.02814	4.3
135.04414	2.7
137.01385	1.5
137.02345	17.0
139.03886	1.5
145.02846	6.4
147.04413	0.9
149.02351	4.0
151.03914	8.5
159.04410	4.4
161.02353	25.8
161.05956	5.1
162.02953	1.5
163.00247	2.4
163.03871	4.2
164.00995	3.8
165.01840	5.6
167.03381	1.9
174.03154	1.4
175.03925	9.9
177.00429	1.4
177.01855	11.7
177.05472	1.0
178.02348	0.8
179.03395	3.2
183.04504	1.5
185.02344	1.0
185.05974	2.7
187.03929	6.7
188.04744	1.5
191.03432	1.1
193.04933	1.7
199.03857	1.4
201.05478	2.8
202.06232	1.8
203.03557	1.2
203.07074	5.7
205.01355	1.1
205.05013	5.2
211.03952	2.8
213.05374	1.3
215.03366	1.0
217.04907	2.8
219.02971	1.9
225.05365	1.0
227.03439	2.7
227.07028	2.0
228.04160	0.8
229.04915	3.2
237.05290	0.8
241.05112	0.9
242.02353	0.9
243.02950	4.7
243.06572	1.4
245.04515	5.0
245.08174	8.4
253.04994	1.9
255.02997	9.2
255.06822	0.9
256.03772	4.5
256.23734	0.9
257.04410	2.4
269.04532	2.5
271.06116	9.2
273.04044	4.6
274.04605	1.0
281.04602	3.9
283.02411	2.6
285.04053	4.1
287.05594	9.0
289.07199	38.3
290.07520	3.0
297.03958	1.9
299.05591	4.5
339.08759	1.9
363.08719	1.4
381.09744	2.8
389.06573	4.1
407.07712	70.6
408.07986	8.2
425.08698	7.6
433.09235	3.2
435.10724	3.1
436.07785	0.7
446.77249	0.8
451.10300	15.0
452.10269	1.9
553.11609	3.0
559.12537	3.1
571.12573	7.4
572.12909	0.9
577.13513	11.4
578.13715	1.7
597.14203	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.2
55.88757	1.0
57.03316	2.4
58.00448	1.0
59.01246	15.7
61.98710	1.6
62.24276	1.1
69.03301	1.4
69.43645	6.0
69.44064	3.5
71.01256	16.5
71.04902	4.1
72.99185	2.8
73.02821	2.0
75.00748	5.2
78.50217	1.2
80.96399	2.6
81.03330	1.8
83.01309	1.7
83.04897	7.4
84.02037	1.1
85.02832	5.0
87.00751	3.1
89.02325	4.3
96.95876	2.0
97.02852	4.5
97.06470	3.9
98.19861	2.3
99.00761	18.9
101.01752	1.1
101.02306	5.8
109.06534	1.4
112.40725	1.4
113.02354	8.1
119.03427	1.3
125.02331	6.1
125.09611	8.0
127.11120	1.5
137.02370	1.6
142.02634	1.2
163.00319	1.5
163.03998	1.4
163.11223	12.8
165.12807	3.5
167.03514	1.2
169.01340	2.2
171.10254	2.5
177.01875	1.5
181.12276	18.8
191.10735	1.7
197.11740	1.4
199.13326	24.5
207.10211	34.1
209.11771	72.2
210.12154	3.8
225.11281	67.1
226.11604	1.9
227.12842	10.0
243.12332	14.9
253.09427	3.5
261.81125	1.2
422.67291	1.4
461.20313	10.5
462.20477	1.1
479.21527	3.8
521.08044	1.0
560.98016	1.1
653.32050	3.8
671.32385	5.0
689.33881	100.0
690.34155	15.3
721.36700	41.6
722.36658	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	721.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.1
59.01248	15.1
61.31020	1.1
69.03353	1.4
71.01260	9.9
71.04873	1.1
72.17759	1.1
73.02829	2.2
80.53307	1.0
81.03345	1.5
83.04895	1.3
85.02815	2.1
87.00749	2.2
89.02323	5.7
95.01262	2.0
95.04910	4.5
97.02847	5.1
97.06450	1.5
98.20554	2.7
101.02335	7.2
106.04159	1.1
109.06470	11.0
110.03648	2.7
111.04425	1.3
113.02341	3.5
119.03384	2.0
120.79552	1.1
121.06496	1.4
121.11315	1.1
121.84700	1.2
125.02360	2.5
125.09604	1.9
135.08055	2.5
152.99501	1.1
161.04459	2.8
161.09676	2.5
163.11226	13.3
179.05507	1.9
179.10710	2.1
180.66608	1.2
181.12379	2.4
189.09100	5.2
207.10208	44.5
208.10539	3.1
209.11722	8.8
211.13364	1.7
225.11278	100.0
226.11652	4.8
227.12849	2.1
229.25314	1.3
235.08215	6.3
253.09285	14.0
275.20242	3.7
277.21722	77.7
278.22110	5.8
293.21265	4.3
340.17450	1.2
349.25470	1.2
375.08594	1.2
443.19244	8.5
461.20264	17.6
654.65717	1.3
721.41431	16.0
722.42242	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	721.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33081	0.8
52.47189	0.7
55.01754	0.8
59.01252	15.0
65.39117	0.7
71.01258	8.8
73.02805	1.6
80.02555	0.8
81.03333	3.2
83.01265	0.9
83.04897	3.5
85.02814	2.9
87.00774	0.9
89.02307	7.1
95.01234	1.9
95.04905	2.7
97.02845	6.7
98.20534	2.7
99.00735	1.3
99.04391	1.0
100.52357	0.8
101.02332	6.7
107.04880	1.7
109.06477	34.2
110.03605	1.6
110.06826	0.7
111.00849	0.7
111.04401	1.1
113.02316	3.3
119.03420	1.0
121.06454	1.6
125.02357	1.5
125.09610	0.9
135.08057	3.2
138.98631	0.8
142.02631	1.6
144.36737	0.8
151.00327	0.9
161.04466	2.4
161.09612	2.3
163.11217	21.5
169.01433	1.1
179.05521	1.9
179.10724	1.8
181.12256	5.8
189.09123	5.2
197.11798	1.3
207.10216	100.0
208.10558	5.1
209.11766	10.3
211.13344	2.3
215.35982	0.8
216.64517	0.8
223.09756	0.8
225.11282	89.0
226.11673	4.2
235.08122	4.7
253.09288	17.7
254.09676	1.0
275.20145	3.7
277.21725	92.8
278.22104	8.1
281.14047	1.0
293.21375	1.0
335.00720	0.8
423.32431	0.9
441.33994	1.6
443.19318	7.9
461.20285	22.3
462.20724	2.6
467.31787	0.9
475.96786	0.8
509.74890	0.9
634.29272	1.0
721.41705	27.6
722.42249	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	721.366
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	2.3
59.01255	11.8
61.98700	4.5
65.45401	1.2
70.07006	5.2
71.01261	11.5
71.04891	3.4
72.85429	1.2
75.00742	3.3
80.02535	1.5
80.96383	2.8
83.01263	2.3
83.04900	3.9
85.02826	3.8
86.12187	1.4
87.00776	3.0
88.48906	1.2
89.02332	3.4
95.01251	2.7
95.04902	1.5
96.95921	2.3
97.02847	4.5
97.06470	2.9
99.00761	20.9
101.02338	5.8
110.12603	1.2
113.02338	5.5
119.04924	1.2
123.08069	2.4
125.02361	7.3
125.09608	8.1
134.20030	1.3
137.02364	3.8
150.05576	1.4
160.01675	1.2
161.02379	1.8
163.03943	1.5
163.11191	17.7
165.12823	1.7
166.02541	1.5
169.01384	2.3
171.10175	5.0
181.12280	19.7
197.11830	1.6
199.13336	12.4
207.10199	27.3
209.11766	53.1
210.12131	3.3
225.11284	39.3
227.12822	4.4
237.81421	1.5
238.82289	1.3
243.12357	25.6
253.09259	2.6
269.05673	1.2
306.05902	1.6
311.06610	2.4
323.06760	1.4
461.20145	3.5
479.21375	10.6
613.23151	2.9
661.37683	1.9
671.33136	4.5
689.33887	100.0
690.34302	14.7
721.35071	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	721.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	28.0
61.98698	21.6
68.68152	9.5
71.01249	28.6
78.95773	25.1
101.04866	9.0
118.74027	9.8
125.02312	19.3
150.94659	11.1
152.99532	15.4
162.94766	10.3
171.10159	13.1
207.10201	14.5
209.07845	16.4
209.11798	100.0
211.13376	46.8
217.88782	10.9
223.13362	12.8
249.52284	9.3
253.09109	14.4
275.20154	11.8
275.64490	9.6
277.21802	15.4
291.19733	16.9
293.21127	38.3
311.22098	16.0
721.37805	18.6
749.02576	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	721.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73117	2.1
54.06479	2.2
54.39195	2.2
57.03312	4.7
58.54230	2.2
59.01252	100.0
71.01247	19.6
73.02820	4.6
75.00744	3.0
83.01266	3.9
83.04909	3.6
85.02841	12.0
86.37328	3.2
89.02294	4.3
95.01299	5.0
96.95869	3.8
99.00756	5.7
101.02332	10.4
113.02328	7.5
119.04882	3.8
120.40314	2.3
125.02335	9.7
161.04369	4.6
163.03804	2.9
169.01358	10.2
202.11281	2.4
229.61014	2.7
263.15079	13.0
305.16150	6.8
435.07736	3.3
677.49567	6.4
678.50146	8.5
685.40106	5.5
729.10272	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	720.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01395	0.2
59.01249	0.6
61.98703	100.0
69.41209	0.4
69.41606	2.3
71.01255	0.4
79.25586	0.2
89.02319	0.3
96.95879	0.6
99.04388	0.3
125.02337	0.8
137.02301	0.3
150.56070	0.2
169.01367	0.5
191.83441	0.3
209.11732	1.5
211.13345	1.3
212.13751	0.3
579.12402	0.3
579.29388	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34433	0.9
59.01243	2.9
67.04352	1.0
70.19622	0.9
71.01258	2.3
71.13317	2.5
72.07333	0.9
72.99164	1.0
73.02851	1.0
78.95779	3.2
85.02816	1.6
88.03918	1.0
93.03364	1.0
96.95866	1.8
109.02828	1.7
121.02818	1.8
125.02318	3.9
136.28590	1.1
145.02899	1.1
147.04425	2.2
148.06747	0.9
151.61504	1.1
161.06042	1.0
163.03923	1.5
165.05482	5.8
179.06966	1.1
193.04948	1.9
214.06131	1.1
215.07008	1.2
227.07080	0.9
241.05093	0.9
243.06543	3.4
244.07352	1.5
255.06580	1.3
255.23184	1.4
256.07336	2.1
257.08127	2.6
267.06723	1.3
268.07437	2.6
269.08026	2.0
270.09042	1.3
270.95047	1.0
271.09650	2.3
276.05881	1.0
281.08273	1.3
283.09732	1.5
285.11179	1.7
289.07211	1.2
290.07950	2.3
297.11316	2.0
299.09241	1.2
300.06519	1.8
300.10135	1.5
301.10590	2.3
302.07858	1.1
314.07883	2.0
315.12363	2.9
318.07397	1.4
325.10843	2.1
327.12607	1.3
477.19409	1.7
478.40216	1.0
480.17477	1.2
481.18649	1.7
492.18094	1.6
495.20273	8.2
506.19241	1.0
507.20135	11.0
508.20789	1.9
509.21689	2.6
525.21417	7.5
526.21600	1.1
539.22766	3.2
569.25806	3.7
675.28003	3.2
677.36200	1.4
721.32269	100.0
722.32678	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	719.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72398	0.9
57.03333	1.9
59.01255	9.4
61.98711	14.5
69.03329	5.4
69.33645	9.2
69.34053	1.2
71.01255	8.4
71.04896	1.4
72.99177	1.9
73.02805	2.2
75.00747	2.0
80.02576	1.9
81.03333	2.5
82.96004	0.9
83.04905	6.7
84.02032	1.4
85.02836	3.8
87.00768	2.3
89.02339	6.1
90.35680	0.9
95.01268	1.2
95.04897	1.2
96.95890	3.4
97.02811	1.0
97.06461	2.1
99.00766	2.2
101.02319	3.8
111.04362	0.9
113.02327	5.3
123.08051	1.5
125.02312	2.4
125.09615	4.0
135.22604	1.0
151.11201	2.8
153.12732	2.0
161.04543	1.2
161.09621	4.3
163.11217	5.5
165.12723	2.9
177.01836	1.2
179.10698	9.0
191.10669	1.1
197.11784	75.9
198.12071	3.7
209.11795	76.2
210.12128	4.5
223.09697	1.7
227.12866	7.1
237.14928	1.4
241.10828	3.7
253.09322	3.9
273.16989	1.2
337.29800	1.0
387.46158	1.0
477.19608	3.2
632.58099	1.0
687.32343	100.0
688.32709	19.1
719.34967	17.6
720.35223	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	719.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18930	0.5
59.01251	5.2
60.78159	0.4
61.98700	5.4
62.08319	0.7
70.78328	1.0
71.01254	3.7
71.04934	0.6
72.99202	0.8
73.02831	1.0
75.00733	0.7
80.02541	0.9
81.03341	1.6
83.01250	2.6
83.04888	4.7
84.02058	1.1
85.02826	1.8
87.00770	0.7
88.98666	0.7
89.02309	2.3
95.01265	0.7
96.95874	1.1
97.02830	0.6
97.06525	0.6
99.00751	0.9
101.02322	3.9
113.02329	2.6
119.03413	1.0
123.04433	0.6
125.02328	1.9
125.09614	2.4
135.08037	1.2
145.04951	0.6
147.11726	0.6
161.04524	0.8
163.11186	5.7
165.05530	0.7
165.12769	3.1
169.01447	0.7
171.10165	3.1
181.12372	0.8
191.10751	2.7
195.06654	1.0
199.13208	0.5
209.11766	100.0
210.12083	5.6
211.13367	1.0
212.03958	0.5
213.14891	3.3
223.13402	0.9
226.11958	0.8
227.12848	10.5
228.13330	0.8
235.08206	3.1
241.14368	1.3
243.15968	0.9
253.09286	14.3
254.09576	0.7
266.45825	0.6
273.17065	86.7
274.17465	5.2
293.21268	2.7
321.62503	0.6
428.75180	0.6
445.20670	1.0
465.28531	2.1
497.86179	0.6
505.34421	0.8
509.26718	1.0
604.72211	0.7
687.32684	1.0
719.34436	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	717.4709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	1.8
59.01264	2.4
66.77318	1.4
78.95325	2.0
78.95779	33.9
81.47042	1.4
94.88873	1.8
99.08040	1.8
110.98426	24.3
113.09622	3.0
129.09100	4.7
134.91698	1.8
139.11197	2.9
145.00752	1.7
145.86769	1.8
152.99495	3.7
167.01065	8.4
169.12292	2.5
171.10202	7.2
181.12265	4.4
183.13869	2.5
197.11702	10.7
199.13318	4.6
211.13353	17.7
229.46449	1.8
234.39908	1.6
236.08539	1.7
238.03014	1.5
249.01231	1.6
255.23270	100.0
256.23630	8.2
293.21121	12.6
311.22269	98.9
312.22739	4.2
330.37033	1.5
405.24374	1.7
423.25342	9.8
717.47119	49.4
718.47272	6.8
729.78802	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67538	0.8
59.01252	9.7
63.11032	0.7
67.01748	0.9
69.03328	2.9
69.28916	2.7
69.29332	6.7
71.01246	2.7
85.02821	4.1
86.29431	0.8
87.52075	0.9
95.01256	1.3
97.02801	1.6
98.20557	1.9
104.20288	0.9
113.02350	1.0
121.02841	1.3
123.00755	2.0
124.01555	2.9
125.02340	100.0
126.02666	3.0
135.04379	1.0
144.93504	0.8
146.03712	0.8
149.02332	1.2
150.03165	1.4
153.01845	1.4
158.03706	0.9
159.04462	2.8
160.05225	1.6
165.05493	1.8
168.00545	3.2
169.01340	75.7
170.01723	2.4
172.93582	0.8
174.03111	1.9
175.03879	2.0
187.03937	36.5
188.04715	37.9
189.05142	2.8
190.02609	1.5
191.03409	1.4
195.74139	0.7
202.02641	3.2
203.03445	1.5
205.04962	1.5
211.04100	1.0
211.07574	4.2
213.02042	0.8
213.05516	3.8
214.02631	3.5
214.06288	1.0
215.03481	5.6
216.04214	35.7
217.04672	2.6
219.02979	2.5
220.03772	2.3
227.07222	1.1
228.07828	3.3
229.05064	1.0
229.08614	12.5
230.02222	1.2
230.09003	0.9
231.02982	1.6
232.03662	1.7
237.05536	1.9
239.07097	11.9
240.07417	1.5
241.05040	2.5
242.02151	1.1
255.06580	4.6
257.08176	72.8
258.08426	5.1
259.06161	1.5
265.05042	3.5
273.07736	2.7
283.06088	11.2
285.04211	1.5
287.07745	5.0
301.07159	17.7
302.07446	2.2
313.05649	5.2
327.05042	1.3
331.06705	5.1
343.08356	1.0
345.06122	4.2
429.07910	1.1
445.11411	12.1
446.11465	2.0
457.08722	1.2
489.10434	7.6
549.12518	2.0
553.13519	1.5
571.14642	26.0
572.14722	3.9
597.12518	1.5
611.36578	1.1
615.13562	43.3
616.13757	7.6
641.11835	1.3
659.12555	16.9
660.12585	2.2
675.15729	1.3
719.14490	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	717.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.4
57.03335	7.0
59.01254	36.9
63.49333	0.9
68.99694	1.3
69.03307	1.5
71.01257	28.8
72.99197	5.7
73.02807	4.5
75.00748	26.3
75.01109	0.7
81.03328	2.0
83.01261	2.9
84.02053	1.3
85.02831	31.0
86.03169	1.1
87.00760	8.7
89.02325	7.5
95.01263	3.1
96.95892	3.0
97.02843	1.9
99.00761	9.0
101.02314	5.9
103.00258	1.5
109.02831	2.0
111.00745	2.1
112.03923	1.0
113.02340	25.4
115.00270	3.8
117.01849	1.4
119.03374	2.2
119.04910	1.4
121.02885	1.2
123.00739	1.9
123.04406	7.9
123.70139	1.1
124.01542	1.0
125.02349	13.2
129.01855	1.6
131.03459	1.1
135.04370	1.6
137.02339	4.4
138.03123	1.2
139.00296	1.1
149.02356	2.0
150.03123	2.5
151.00266	1.4
151.03816	2.2
157.01404	1.1
161.02347	2.1
163.03935	1.5
165.01880	1.4
165.05472	2.9
166.02580	2.0
166.04982	2.2
167.03429	22.4
168.03856	1.1
169.01326	3.4
170.01628	1.2
172.98483	1.0
173.04501	1.8
175.02390	3.6
177.01839	3.2
179.03386	3.0
179.05687	1.1
181.04936	3.0
184.06104	1.8
185.06342	0.9
188.04649	1.2
191.03365	1.3
191.05521	1.2
194.05334	1.1
195.06430	1.1
207.06642	1.3
209.11688	1.7
223.06232	1.1
229.40549	1.1
257.08157	2.1
289.07111	1.0
455.57874	1.1
657.14270	1.1
673.30743	100.0
674.31116	17.5
717.32916	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	717.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	7.4
61.98703	25.3
66.08569	2.3
67.09220	2.8
71.01239	5.0
83.04883	5.1
89.02284	3.0
101.02328	2.9
118.74758	2.3
162.09477	2.3
163.11227	3.1
171.10168	3.9
180.40878	2.5
183.13792	6.9
209.11771	58.1
210.12180	4.5
211.13335	100.0
212.13615	5.0
227.12846	10.0
229.43283	3.7
235.08202	5.2
253.09259	8.4
293.35995	2.5
447.22403	4.3
451.54764	2.4
718.36475	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	717.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	22.8
69.81004	7.8
69.81430	3.1
71.01260	6.9
78.95805	1.9
83.01257	2.1
85.02831	4.3
88.03146	1.4
89.02300	1.6
92.04903	1.4
94.06490	2.1
95.04901	2.6
96.95901	2.5
97.02791	1.6
99.00776	1.6
101.02331	2.9
105.05715	2.9
106.06563	1.6
107.03671	6.3
107.95816	1.4
111.42178	1.3
113.02335	3.3
120.08082	45.1
121.05223	6.1
122.06017	82.6
123.06370	2.9
125.02325	5.8
131.03401	1.6
134.06021	3.1
136.07613	2.0
137.04716	1.7
144.04459	5.4
149.02229	2.0
152.07089	1.9
160.03888	2.6
161.04628	2.3
164.07068	3.2
173.75337	1.5
174.05515	6.6
192.00430	1.6
203.05838	7.7
215.11957	3.0
223.08670	3.0
236.09610	4.8
237.10297	5.6
241.13467	2.8
249.10303	4.4
249.14246	1.9
250.10963	4.4
251.11864	33.9
252.12305	3.0
253.09737	1.9
262.07681	1.5
262.10648	2.0
263.08231	4.9
263.11905	6.0
264.08856	5.1
264.12576	2.2
265.09930	3.4
265.13431	5.1
267.11481	2.6
268.08572	2.5
269.33380	1.7
276.09012	10.0
277.09839	29.5
278.10446	11.1
279.11362	4.5
281.12860	1.6
283.10782	3.5
291.11401	47.1
292.12143	36.1
293.09720	2.8
293.12912	28.0
294.10175	2.1
294.13260	3.2
295.10779	3.5
296.11862	1.6
324.11133	8.6
325.11893	4.8
326.12430	1.9
331.06589	1.7
335.10324	18.9
336.11063	13.3
337.11902	4.9
342.12234	3.2
343.50772	1.8
344.13965	6.0
346.19073	2.0
356.13852	3.7
358.15628	5.0
359.16055	2.0
360.16867	2.0
370.19455	1.7
372.17200	15.1
373.17838	4.8
374.18570	9.6
384.13547	3.8
386.14978	4.4
386.19104	2.5
398.15118	2.1
399.15869	3.6
400.16528	7.1
412.16458	2.5
414.18225	38.9
415.18765	11.2
418.17828	12.9
419.18091	2.4
441.17096	3.1
446.20605	4.3
458.17224	35.6
459.17969	27.0
460.18350	2.6
474.20410	1.6
478.19516	2.5
490.19821	100.0
491.20251	13.0
493.26114	2.4
495.23917	6.7
518.19373	9.0
519.20197	1.9
537.25092	40.6
538.25616	6.0
545.31873	1.7
550.21948	21.9
551.22388	3.1
581.24036	81.7
582.24438	16.9
597.27106	3.9
613.26685	56.3
614.26984	10.7
641.26038	10.6
673.28656	6.7
674.29932	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	717.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51698	2.7
59.01250	30.6
63.29530	2.2
64.59760	2.5
64.60089	2.8
71.01244	6.1
71.34785	5.0
72.99173	3.1
73.02853	2.3
74.83794	2.3
78.71805	2.7
78.95789	3.6
94.06445	3.7
95.04895	5.4
96.95922	4.8
101.02319	4.6
107.03633	4.3
113.02325	2.8
120.08066	25.6
121.05238	5.5
122.06011	100.0
123.06332	2.9
125.02334	3.9
134.06009	4.3
160.04010	3.9
161.04498	2.4
164.07033	3.8
174.05519	7.5
203.05676	2.7
223.08832	2.8
236.09564	6.0
237.10301	7.4
239.11691	3.6
241.13695	3.0
249.10274	6.3
250.07527	3.3
250.10918	3.6
251.11879	58.8
252.12361	8.7
263.08221	3.6
263.12067	4.8
264.08936	3.2
265.13559	4.4
276.08978	5.9
277.09814	15.6
278.10535	8.2
279.11292	6.9
282.10223	4.0
283.10873	3.8
291.11353	31.2
292.12128	25.7
293.12878	26.1
294.13477	3.6
295.10767	7.1
296.11517	3.2
304.09592	4.8
324.11194	9.2
325.11841	6.4
335.10309	11.8
336.11166	7.7
337.11804	4.9
343.13394	3.6
344.14142	4.8
357.14648	3.6
358.15656	4.8
359.15997	4.2
370.19302	4.7
372.17133	35.9
373.17914	12.3
374.18716	16.0
386.14883	5.4
399.16019	4.3
400.16595	6.8
414.18262	50.3
415.18683	11.6
418.17694	41.5
419.18201	6.1
441.16827	3.8
446.20996	5.2
458.17441	22.7
459.18027	17.6
478.19678	6.0
490.19800	59.2
491.20035	11.3
493.26135	3.5
495.24359	13.5
518.19556	3.0
537.25061	27.1
538.25433	5.6
550.21924	7.6
551.22626	4.0
569.27179	4.8
581.24054	73.9
582.24323	13.9
613.26538	81.0
614.26819	15.7
641.25391	3.6
673.28687	9.6
687.28040	5.9
717.29535	7.7
718.28400	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	717.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	2.0
59.01250	7.1
61.87169	1.1
67.01765	1.6
68.77055	0.9
69.42744	8.6
71.01252	4.8
71.56884	0.8
72.99190	1.0
75.00749	3.6
75.27667	0.8
78.95758	1.0
81.03314	1.2
85.02824	4.1
87.00755	2.6
89.02312	1.8
95.01254	1.1
97.02772	0.9
101.02324	1.1
107.04922	1.4
109.02862	6.5
113.02345	2.7
117.64475	0.8
119.04855	1.4
121.02818	1.0
123.00765	2.9
123.04414	1.1
124.01553	1.1
125.02335	8.2
136.01480	1.1
137.02345	26.7
138.03058	1.2
139.00296	1.0
139.03920	1.3
149.02306	1.7
150.03090	2.7
151.00275	23.2
151.01501	1.2
151.03923	4.3
152.01012	1.5
152.04723	2.0
161.02336	1.5
163.00255	1.0
163.03947	1.4
165.01846	95.5
166.02629	59.2
167.03291	4.1
169.01335	4.1
175.03940	3.2
177.01909	5.4
177.05521	1.6
179.03432	15.5
180.04204	52.9
181.04982	75.9
182.05342	2.5
184.03767	1.3
189.05211	1.0
190.06248	1.5
191.03374	2.1
193.04991	1.7
194.05817	3.1
195.06561	70.4
196.06937	3.8
205.04935	1.1
205.08556	1.4
207.06595	1.4
210.05278	11.1
213.79166	0.9
225.07634	68.7
226.07936	3.4
285.03821	1.3
387.10800	12.5
388.11148	2.2
389.16098	1.3
402.13177	7.5
417.15530	100.0
418.15942	10.5
461.14771	1.3
491.19446	4.8
492.19638	1.1
519.01007	0.9
595.21930	1.9
669.25073	1.4
673.31012	6.6
711.60950	1.0
717.28857	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	717.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21132	1.6
59.01251	100.0
60.01580	1.9
61.98686	1.9
65.18661	1.4
65.26914	1.7
78.95761	4.4
94.48729	1.7
99.94519	1.4
101.04869	1.5
111.78934	2.1
113.90440	1.6
125.02359	3.6
152.99503	2.3
209.11740	4.2
227.12814	2.2
277.21661	2.1
393.90469	1.7
416.92480	1.8
459.16537	2.1
467.13571	4.1
481.11597	3.3
495.17264	1.9
496.13974	16.3
497.14328	9.9
498.15216	2.8
510.15704	4.5
511.16019	9.9
512.16425	5.2
513.17645	3.2
544.06738	1.8
544.15881	5.9
545.16595	1.9
567.18634	9.5
571.18323	12.2
572.19409	2.0
572.28876	2.1
583.17981	2.5
589.19562	3.1
597.19189	2.7
598.20703	4.1
599.21429	28.6
600.21796	6.3
602.16742	4.0
630.19617	3.2
631.20911	2.2
657.22064	16.6
658.22736	3.9
717.24194	62.0
718.24170	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	717.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.2
59.01255	3.3
67.01749	0.8
69.03329	0.6
69.36780	2.9
69.37213	2.1
71.01237	3.0
74.41993	0.5
75.00741	0.8
81.03343	0.5
83.01257	0.7
85.02827	2.0
85.91364	0.5
87.00751	1.8
88.03995	0.5
93.03329	0.6
95.01266	0.8
95.04876	0.8
96.95879	1.0
98.20574	1.0
99.00771	0.7
101.02303	0.7
103.35197	0.5
108.02007	0.6
109.02857	3.6
111.00787	0.9
113.02329	1.1
118.94157	0.5
119.04899	0.8
121.02872	1.2
123.00797	3.6
123.04414	0.8
124.01592	0.8
125.02346	6.0
131.01378	0.5
134.03685	0.6
135.04456	0.6
137.02348	15.4
138.03076	0.8
139.00229	1.0
139.03854	1.4
149.02411	1.6
149.04485	0.5
150.03127	1.8
151.00281	24.1
151.01506	1.2
151.03883	2.9
152.01067	2.5
152.04706	2.0
153.01791	1.1
159.04413	1.0
161.02338	1.3
162.03101	0.7
163.03920	1.3
164.01077	1.0
165.01857	20.6
165.05505	1.7
166.02632	66.3
167.03340	4.8
169.01375	2.7
175.02516	0.9
175.03973	1.9
177.01846	5.3
178.02518	0.8
179.03416	5.5
180.04231	11.1
181.04990	77.4
182.05348	3.5
184.03665	0.8
190.02560	0.8
190.06331	1.5
191.03363	1.2
192.04213	1.2
193.01279	0.6
193.05035	1.6
194.05736	1.1
195.02879	0.8
195.06563	11.9
196.06969	0.9
203.03467	0.6
205.05008	1.9
205.08722	1.1
207.06607	1.6
210.05275	1.8
219.06525	0.7
225.07643	9.7
226.08058	0.6
233.08041	0.6
255.06648	0.6
320.73962	0.6
329.10486	0.6
341.10367	0.7
359.11371	1.8
371.14966	0.8
387.05829	0.8
387.10815	16.1
387.15546	0.9
388.11362	1.7
402.13080	6.4
403.13702	0.8
417.15552	100.0
418.15933	11.1
491.19516	2.8
595.21747	6.4
596.22144	0.8
639.19824	0.6
669.25879	2.7
670.25708	0.7
673.30334	0.8
717.35767	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	4.8
62.50993	1.5
62.54125	1.6
65.00184	3.3
70.40048	3.4
70.40413	3.5
83.01275	3.5
107.01288	3.1
109.02831	4.5
111.70358	1.6
113.23753	1.6
125.02343	31.2
130.04134	14.4
131.04919	74.0
132.05266	4.9
137.02328	7.3
146.03615	9.5
149.05978	89.4
150.06331	3.4
151.00270	8.9
152.01089	2.1
153.01862	9.6
164.04716	5.3
165.01865	4.1
167.03419	3.1
169.01303	2.7
175.00293	16.8
178.99770	12.0
179.07085	16.1
181.01340	1.9
185.06201	2.1
191.03464	8.1
193.01344	100.0
194.01614	4.8
215.03456	5.9
257.04602	3.3
301.03503	14.6
302.03802	2.0
319.04611	13.0
320.04913	2.0
342.43719	1.8
638.23602	1.9
695.92596	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	716.371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63855	0.2
59.01241	0.9
61.98705	100.0
62.98418	0.2
68.75890	0.2
71.01276	1.0
78.95792	0.3
82.95300	1.0
89.02332	0.7
93.81429	0.2
95.42482	0.2
96.10162	0.2
98.20552	0.5
99.00775	0.2
101.02343	0.5
111.04433	0.2
113.02314	0.2
125.02374	0.5
151.07579	0.2
161.04402	0.2
195.06622	0.6
196.06976	0.3
209.11864	0.3
255.23305	1.3
256.23633	1.3
257.23822	0.4
258.24161	0.2
341.72568	0.2
363.24579	0.2
374.44247	0.2
386.96872	0.2
397.13525	0.5
398.13934	0.7
399.13925	1.3
400.14511	0.7
417.15176	0.2
423.30643	0.2
482.73502	0.2
716.41724	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00167	0.9
55.01746	0.8
57.03308	3.1
58.00447	0.9
58.08393	0.8
59.01255	11.2
61.62157	0.7
65.17204	0.7
67.01746	1.0
68.51601	0.8
70.89342	1.2
70.89665	1.0
71.01260	15.5
72.99188	6.3
73.02822	1.1
74.65253	0.8
75.00747	19.2
76.87128	0.8
77.47196	0.8
81.03317	1.0
83.01239	1.6
83.04899	2.7
84.02016	1.0
85.02828	20.0
87.00758	6.9
89.02310	3.4
95.01250	4.1
96.95889	9.7
99.00763	10.6
103.00238	3.3
111.00778	1.0
113.02335	23.0
115.00253	2.5
117.01830	2.8
120.46451	0.9
129.01848	1.5
157.01326	1.8
162.75032	0.9
163.11189	2.5
165.12741	1.5
175.02368	4.5
205.06989	1.1
209.11768	30.6
210.12112	1.9
215.08371	0.9
227.12865	3.6
249.06102	2.9
255.23277	69.7
256.23685	5.0
267.36188	0.8
278.67368	0.8
342.62555	0.8
459.18439	1.0
461.15918	0.8
505.29959	5.0
506.30591	0.9
697.41357	1.4
715.42743	100.0
716.43121	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	715.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	4.6
61.98702	4.3
67.99844	1.6
71.01247	2.7
71.59705	2.2
75.00748	2.0
76.59906	1.8
78.95789	2.8
79.68774	1.5
82.01706	1.3
84.03590	1.3
84.40919	1.6
89.02338	2.0
101.02328	2.2
115.14733	1.7
125.02357	1.7
125.09641	3.8
137.59195	1.9
138.55324	1.5
161.04422	2.1
171.10185	4.0
201.11288	8.4
202.11501	4.2
203.11815	2.4
209.11780	100.0
210.12074	6.6
227.12975	8.0
235.08183	3.4
253.09210	8.3
293.21127	2.6
445.21066	1.8
715.37915	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	715.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	5.2
61.98698	3.3
71.01247	2.0
71.59198	2.5
73.94006	1.6
74.26122	1.4
83.04940	2.1
89.02346	1.9
101.02336	2.8
111.92570	1.5
125.02342	2.3
125.09548	1.9
164.43271	1.6
169.01331	1.5
171.10217	3.2
201.11266	6.6
202.11667	2.7
203.11685	1.3
209.11774	100.0
210.12105	3.8
211.13506	1.7
225.11369	1.8
227.12811	6.0
235.08252	4.6
250.59258	1.5
253.06894	1.4
253.09134	6.9
293.21194	1.4
339.74698	1.6
342.20337	1.4
613.54883	1.8
715.39111	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	715.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04388	0.7
59.01250	36.5
65.00187	1.3
67.80743	0.6
69.41351	5.8
72.99176	3.6
74.82541	0.8
101.54941	0.7
107.01269	2.3
108.02024	1.1
109.02811	1.0
115.05972	0.7
119.04902	4.2
121.02837	1.6
125.60743	0.6
135.00761	0.7
147.04419	76.5
148.01566	1.2
148.04744	3.1
151.00273	11.4
163.00284	2.7
165.05484	68.3
166.05806	2.5
178.99818	3.9
207.06560	32.7
208.06842	1.6
211.03966	1.0
219.03000	1.3
226.02702	1.5
227.03485	2.2
243.02946	8.5
245.04399	0.8
254.02065	1.3
255.02979	21.4
256.03177	1.1
271.02463	47.3
272.03015	3.4
273.04013	1.1
283.02560	1.2
299.01852	1.4
300.02747	100.0
301.03470	48.8
302.03882	3.2
320.27237	0.6
343.04486	1.2
360.11185	0.7
463.08810	93.7
464.09009	9.7
579.81128	0.8
622.47491	0.7
622.66785	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51692	2.6
59.01248	24.2
71.01263	3.2
71.13201	6.7
78.95769	3.6
96.95905	5.9
120.08147	2.8
121.05193	4.4
122.05997	24.4
134.05994	10.9
160.06342	10.4
161.04686	3.3
168.36333	3.1
174.05534	3.2
198.12624	2.4
213.10320	35.9
213.97292	2.5
215.11769	5.0
226.11180	4.2
239.11850	19.3
241.13425	22.6
255.23329	2.7
283.10883	9.0
285.12439	100.0
286.12756	6.9
293.12823	3.6
325.11862	6.9
330.15607	3.4
343.13242	5.7
354.16168	4.6
356.14102	5.4
370.15836	14.2
371.16110	7.6
371.56982	3.0
372.17184	5.0
398.15036	7.6
412.16647	10.9
413.17532	5.6
493.22162	15.3
535.23553	87.4
536.24005	14.3
538.22302	5.8
579.22418	68.6
580.22876	12.4
595.25513	8.0
611.25012	35.2
612.25037	7.9
639.24634	7.6
671.26935	5.7
716.87988	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	713.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99240	2.3
57.03323	4.6
58.94701	2.5
59.01249	16.5
62.42375	2.4
69.79734	6.0
69.80148	13.3
71.01258	19.4
72.99175	7.5
75.00751	25.1
78.09719	2.7
78.95794	4.5
79.01522	2.6
80.91556	4.8
81.03345	2.7
85.02827	21.6
87.00752	8.3
89.02299	4.0
95.01253	4.8
97.02875	5.4
99.00748	17.7
101.66868	2.7
113.02345	21.1
124.97990	2.3
163.11229	3.7
165.09169	15.4
175.02379	3.8
175.04042	3.1
181.12241	10.7
205.02203	2.8
207.10185	27.5
209.08189	30.1
225.11278	25.9
233.08211	7.4
249.06085	4.0
255.23286	85.6
256.23587	9.2
263.09415	2.9
278.63501	3.1
505.30212	5.1
631.34760	6.4
669.41522	3.9
713.41187	100.0
714.41803	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	713.4399
Annotation	Unknow
Peak:m/z	Relative Intensity
64.28852	4.3
64.57243	4.8
70.33427	21.5
78.95779	16.2
110.97069	4.2
110.98431	12.3
111.08015	7.2
127.13873	5.1
167.01120	16.2
185.65523	5.3
191.99669	4.6
197.11798	26.1
211.13493	4.6
253.21692	30.6
255.23051	5.6
263.20227	6.4
289.18018	8.9
291.19678	5.8
309.20822	16.5
406.49060	5.0
477.22589	100.0
478.22833	8.8
713.43652	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	713.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47692	0.6
59.01249	18.0
66.80766	0.6
69.03320	2.2
70.35712	1.8
71.01257	3.1
73.02818	0.7
82.67693	0.6
85.02820	1.1
87.00741	1.2
89.02316	2.3
89.60175	0.6
101.02360	3.4
101.91422	0.6
103.04762	0.6
113.02308	1.4
124.30798	0.6
125.02335	0.8
125.09617	1.5
132.02759	0.7
138.11252	0.7
161.04433	1.9
167.10670	2.6
179.10747	1.2
179.14320	2.7
183.13849	6.9
191.10654	0.6
193.12273	1.7
195.13824	7.7
201.11249	1.9
205.12254	6.8
211.03038	0.8
211.13339	100.0
212.13719	5.5
223.13348	73.3
223.15642	1.5
224.13657	3.9
235.08208	4.2
253.09274	7.0
255.96245	0.7
277.21710	1.2
293.21194	1.8
397.13510	1.8
417.26093	0.7
441.21231	1.5
447.22333	6.6
459.22314	8.6
460.22687	1.0
515.46613	0.7
635.35004	1.2
636.34436	0.8
653.35077	1.6
713.34332	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.4603
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95401	1.1
57.77229	1.0
59.01228	1.2
69.92940	5.7
78.95776	100.0
96.96835	10.7
98.20499	1.4
113.09633	1.5
119.40653	1.3
134.98425	1.5
141.80975	1.2
152.99495	58.1
153.99879	1.4
186.77280	1.1
195.13811	5.7
277.21732	8.9
278.21823	1.5
279.23282	46.4
280.23520	6.1
295.22772	33.8
296.23090	2.3
320.07645	1.1
415.22543	15.4
416.22696	2.8
431.21954	32.0
432.22314	3.2
433.23361	4.3
449.22885	8.2
456.98889	1.2
459.62845	1.3
616.46582	1.3
685.61499	1.5
711.46039	20.2
712.46246	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	711.4607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	8.0
60.22446	7.8
64.54848	7.4
78.95777	100.0
90.50016	6.8
94.32154	6.8
96.96790	7.9
98.20566	16.7
123.75520	6.9
140.88554	7.2
152.99471	43.5
229.39706	9.9
265.81290	8.7
277.21860	9.4
279.23270	20.7
281.24802	27.8
295.22986	15.8
431.21838	13.2
449.23004	11.2
711.45294	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	713.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	23.6
66.26263	7.0
71.01251	19.7
71.58608	13.1
78.95780	11.9
88.98676	25.2
89.02316	15.6
101.02342	15.0
115.59009	7.3
125.02334	16.7
169.01413	8.3
185.32503	8.0
209.08009	12.9
235.07951	10.7
279.23260	53.9
285.93341	7.1
301.09805	8.8
397.13522	100.0
415.14551	40.0
487.04227	7.3
713.35516	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.4603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07552	0.9
69.93025	6.2
78.95777	100.0
88.71920	1.0
89.38997	1.2
93.16038	1.0
96.96848	7.6
113.09595	1.5
134.98424	1.8
152.99490	70.5
171.10208	3.0
195.13852	8.8
211.22385	1.1
260.03140	1.2
267.52835	1.2
277.21692	11.3
278.21936	1.4
279.23288	62.0
280.23581	8.0
293.21228	1.3
295.19440	2.2
295.22794	41.4
296.23166	2.8
300.74762	1.1
307.43063	1.1
382.27173	1.2
415.22531	18.7
416.22986	2.3
431.21979	27.7
432.22369	4.4
433.23611	7.0
449.23044	7.6
453.86749	1.2
711.46051	26.6
712.46643	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	711.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89954	1.7
55.67647	2.3
56.43799	1.9
59.01253	5.3
71.01306	6.1
72.38814	2.0
78.95784	16.9
93.78509	1.9
96.95888	5.1
98.20029	2.1
101.02312	6.7
113.02317	2.7
115.30502	2.1
119.03437	5.5
120.07807	1.8
152.99532	6.1
169.01433	2.6
171.10207	2.4
211.13383	2.5
301.21722	100.0
302.21884	9.4
327.21841	3.8
368.69943	2.2
667.33850	3.2
673.19983	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	1.2
59.01255	27.4
69.03306	1.5
69.41354	5.9
71.01241	3.4
71.04869	0.6
73.02808	0.8
78.95763	0.8
85.02791	1.0
89.02304	2.6
96.95872	0.7
101.02304	2.2
113.02270	1.4
119.03402	0.7
125.02372	3.4
141.65251	0.8
145.05003	1.1
161.04417	1.4
167.10666	1.4
169.01323	1.2
179.10687	1.0
179.14349	3.0
195.13837	6.9
197.11751	1.6
202.25798	0.8
205.12289	8.3
209.11780	100.0
210.12100	5.7
223.13362	86.6
224.13719	3.8
235.08260	6.5
253.09229	9.8
289.07248	0.7
441.20847	3.1
445.21054	2.5
459.22339	8.6
512.68835	0.7
516.97711	0.7
651.34436	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.308
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51291	0.6
55.01746	1.3
57.03325	4.5
57.24998	0.6
58.00466	0.7
59.01254	18.9
60.33759	0.6
61.18977	0.6
62.68453	0.6
68.99681	0.7
69.03326	1.2
69.96291	0.6
70.92303	0.7
70.92652	1.5
71.01254	28.5
71.21585	0.6
72.99178	5.4
73.02818	1.9
75.00745	26.6
83.01231	3.1
84.02058	0.9
85.02823	29.9
87.00756	6.9
89.02312	6.8
95.01244	3.9
97.02814	1.4
99.00755	7.7
101.02316	5.8
111.00760	1.5
112.01514	0.8
113.02331	25.4
115.00241	2.1
117.01812	1.6
119.03362	2.3
125.02311	2.0
129.01828	1.1
131.03380	2.0
135.04408	0.7
137.02260	1.1
149.04486	0.7
152.00996	0.8
157.01340	0.7
173.04445	2.7
175.02390	1.1
255.02773	0.9
300.02844	1.3
301.03409	0.9
313.06714	0.8
373.92984	0.7
451.53098	0.7
465.64685	0.7
500.78592	0.7
517.83582	0.6
693.29291	1.0
711.30804	100.0
712.31274	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	711.251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27520	1.0
55.01748	1.5
57.03325	6.3
59.01252	100.0
60.99170	1.1
70.56967	3.3
71.01256	7.4
71.04890	1.3
72.99210	1.9
73.02839	2.2
75.00738	3.0
77.38614	0.9
79.05415	1.0
83.01250	1.7
83.04906	2.1
83.86732	0.9
84.02033	0.9
85.02815	4.2
86.21336	0.8
87.00737	3.0
88.64182	0.8
88.90450	0.9
89.02319	1.6
91.44496	0.9
93.08868	0.8
95.01267	1.1
95.18819	1.1
96.95892	2.2
99.00756	2.7
99.04390	1.5
101.02305	5.9
113.02328	4.6
115.26054	0.9
115.78297	1.0
119.08529	5.3
121.06463	1.7
124.26438	0.8
125.02303	3.2
133.10104	2.0
135.08025	4.1
135.11702	2.2
137.02351	1.3
137.09616	23.4
149.02374	0.9
161.04456	2.1
161.09625	7.7
163.07552	2.3
179.10695	11.3
181.08627	37.2
182.08900	1.6
197.11778	42.8
198.12117	1.0
207.06544	1.2
223.06194	1.0
223.09715	16.6
241.08324	1.8
241.10780	34.4
242.11189	1.6
269.10306	2.8
326.71799	1.1
383.13422	1.8
401.14371	3.3
443.09656	1.7
443.15536	16.2
444.15851	1.2
625.25037	1.8
649.25018	4.1
667.26031	83.6
668.26306	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	711.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	5.2
59.01251	93.8
71.01244	2.2
71.04867	0.9
71.23782	1.0
72.99194	1.1
75.00760	1.1
78.95772	2.2
83.01264	1.3
83.04924	1.3
85.02817	2.2
87.00774	1.4
89.02299	1.1
99.00755	1.7
99.04385	3.1
101.02307	1.6
113.02313	2.5
119.08564	2.9
121.02795	1.1
125.02331	5.0
133.02841	1.7
134.03632	43.6
135.04346	3.3
135.08046	2.2
135.11734	1.4
137.02324	9.5
137.08682	1.8
137.09628	18.0
139.03899	3.3
149.05989	15.5
151.00322	1.2
161.04474	1.8
161.09596	5.6
163.07495	1.9
166.02658	3.2
169.01338	2.9
178.02638	30.0
179.03325	4.3
179.10687	8.5
181.04976	3.5
181.08623	19.6
182.08788	1.3
193.04999	100.0
194.05299	5.2
197.11768	36.6
198.12134	1.8
223.09622	9.4
241.10786	26.6
242.11115	1.4
248.97363	1.0
302.11447	1.1
330.10229	1.1
387.10583	1.4
417.15558	2.7
469.13455	5.9
487.14676	15.8
488.14954	1.3
517.19434	8.2
559.22583	1.2
657.30591	1.1
693.24615	2.3
711.25085	88.4
712.25433	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	711.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.7
58.25040	0.5
59.01257	3.5
64.72791	0.5
70.00284	3.4
71.01257	6.4
73.02827	1.6
75.00753	1.8
77.03823	0.7
78.50050	0.5
82.68530	0.6
85.02832	4.7
87.00739	1.1
91.05454	0.8
98.19886	0.9
99.00758	2.0
99.56630	0.5
101.02322	2.0
108.02058	0.9
109.02830	2.3
113.02312	3.6
121.02844	27.0
122.03138	0.8
125.02377	1.5
133.02859	16.3
135.04436	8.2
137.02341	7.7
138.03136	1.5
147.04407	1.8
149.02341	9.6
151.00218	1.2
152.04625	0.8
153.05457	1.9
161.02336	1.9
161.04507	1.0
163.03787	0.7
164.04684	3.1
167.03398	1.1
179.07077	5.4
184.03632	1.0
185.49107	0.7
225.05415	1.1
244.05263	0.6
253.05115	5.1
255.06580	0.8
271.06131	27.0
272.06476	2.1
279.23953	0.6
285.04034	2.7
286.08478	26.4
287.08795	2.5
301.10818	100.0
302.11145	7.2
316.02301	1.1
317.02859	1.4
445.14899	3.7
463.09445	1.6
463.16006	8.8
464.16434	1.4
505.16818	3.2
607.21143	0.6
608.31873	0.7
663.67682	0.7
711.35022	3.3
718.70300	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63962	0.6
54.51818	0.5
57.03308	0.8
59.01262	4.1
64.92990	0.6
71.01260	3.4
71.58796	0.8
72.99182	1.1
73.02825	0.6
75.00752	2.8
85.02409	0.5
85.02819	3.2
87.00760	0.9
89.02332	0.9
93.03355	0.8
95.44926	0.6
99.00749	1.1
101.02335	1.0
108.02060	0.9
109.02826	1.8
113.02328	2.2
121.02850	4.3
123.00757	1.1
123.04388	1.3
124.01618	1.0
125.02336	4.9
133.02820	0.6
135.04399	1.2
137.02354	1.0
145.02739	0.5
145.39783	0.5
147.04417	1.9
148.05212	0.7
149.02356	2.2
150.03145	3.8
151.03932	0.7
161.02414	0.5
163.03955	1.8
164.04747	0.9
169.01317	1.5
187.07639	1.0
209.06126	0.9
210.06787	0.8
211.07570	1.7
213.05537	1.2
225.05521	1.4
227.03392	0.8
227.07089	3.5
239.96457	0.5
240.04204	0.8
242.09366	1.2
243.03156	0.6
243.06560	1.0
253.05008	1.6
254.05920	3.3
255.06619	24.0
256.03943	3.1
256.06958	2.5
257.04483	2.5
267.07034	0.7
269.08154	2.0
271.06116	25.0
272.06461	2.8
286.08484	24.8
287.09085	2.8
301.10815	100.0
302.11145	7.5
308.07632	0.6
445.14981	2.1
463.16168	18.0
464.16473	2.6
505.16965	2.7
573.13086	0.8
667.21356	0.6
667.31726	3.8
668.32037	0.9
672.45306	0.8
711.34985	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.7
58.25040	0.5
59.01257	3.5
64.72791	0.5
70.00284	3.4
71.01257	6.4
73.02827	1.6
75.00753	1.8
77.03823	0.7
78.50050	0.5
82.68530	0.6
85.02832	4.7
87.00739	1.1
91.05454	0.8
98.19886	0.9
99.00758	2.0
99.56630	0.5
101.02322	2.0
108.02058	0.9
109.02830	2.3
113.02312	3.6
121.02844	27.0
122.03138	0.8
125.02377	1.5
133.02859	16.3
135.04436	8.2
137.02341	7.7
138.03136	1.5
147.04407	1.8
149.02341	9.6
151.00218	1.2
152.04625	0.8
153.05457	1.9
161.02336	1.9
161.04507	1.0
163.03787	0.7
164.04684	3.1
167.03398	1.1
179.07077	5.4
184.03632	1.0
185.49107	0.7
225.05415	1.1
244.05263	0.6
253.05115	5.1
255.06580	0.8
271.06131	27.0
272.06476	2.1
279.23953	0.6
285.04034	2.7
286.08478	26.4
287.08795	2.5
301.10818	100.0
302.11145	7.2
316.02301	1.1
317.02859	1.4
445.14899	3.7
463.09445	1.6
463.16006	8.8
464.16434	1.4
505.16818	3.2
607.21143	0.6
608.31873	0.7
663.67682	0.7
711.35022	3.3
718.70300	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.214
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57562	0.6
59.01249	100.0
60.01601	0.7
71.01248	8.9
71.37585	1.6
73.02824	3.0
80.44684	0.6
83.01262	1.2
85.02819	4.3
101.02313	8.1
113.02301	3.8
125.02341	1.7
134.05115	0.7
137.02332	0.8
151.00316	1.5
157.66510	0.6
161.04474	4.4
200.06564	0.7
269.10281	12.6
270.10696	1.2
271.02579	0.9
300.02847	1.8
301.03665	2.2
311.11389	2.1
463.08704	1.0
505.09906	1.9
539.88940	1.1
664.47003	0.7
668.36664	0.8
708.06940	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	3.5
64.55497	1.5
65.00196	3.3
69.44454	15.1
71.01271	4.9
72.99176	1.5
80.82516	1.5
83.01261	2.5
85.02836	4.8
96.95905	1.8
107.01268	6.3
108.02065	9.1
109.02853	4.6
113.02328	2.2
121.02825	4.6
125.02342	8.7
134.03661	2.4
135.04453	1.9
137.02301	2.0
142.83858	1.6
149.02367	2.4
151.00282	24.0
152.01076	20.2
153.01735	2.6
163.00269	2.6
163.03885	1.8
164.01025	1.5
169.01372	4.3
175.03979	1.5
177.01863	2.6
178.99791	12.7
187.03969	1.8
211.04002	2.0
227.03429	1.8
243.03038	7.6
254.02167	2.8
255.02953	24.2
271.02484	48.8
272.02948	4.5
273.04141	2.6
297.56329	1.8
299.01913	2.9
300.02753	100.0
301.03528	86.8
302.04013	6.1
429.10184	3.2
447.11676	4.2
463.08862	11.8
472.33884	1.5
505.09946	66.2
506.10062	7.8
539.77063	1.9
667.15527	14.5
667.26617	2.5
668.15082	2.6
711.25079	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	711.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	4.1
62.99450	1.2
69.44439	10.1
69.44848	1.9
71.01263	3.3
72.99207	1.7
73.02850	1.7
75.00735	2.3
76.70052	1.3
85.02838	6.2
87.00775	1.7
89.02328	2.4
89.92632	1.3
101.02330	1.7
105.62435	1.2
107.01300	2.1
108.02113	1.4
109.02859	4.7
111.00771	2.0
113.02338	2.0
116.92736	1.8
121.02835	1.5
125.02351	9.1
137.02322	1.5
149.02432	1.3
151.00275	7.2
151.03902	1.4
161.02409	2.2
163.00319	2.5
165.02026	1.5
167.79118	1.2
169.01405	2.1
177.01804	1.4
178.99768	1.4
199.03995	3.7
201.81935	1.4
205.40594	1.3
215.03555	2.8
227.03435	2.8
243.02963	5.4
254.02080	1.5
255.03009	3.6
271.02505	53.5
271.05490	3.0
272.02982	4.6
285.04138	2.5
289.07373	2.1
299.01984	100.0
300.02612	19.1
301.03580	36.5
302.03790	3.6
313.03369	1.5
343.04895	1.7
463.08777	10.1
504.09174	19.7
505.09982	20.8
506.10052	2.1
570.85803	1.6
667.15179	64.6
668.15552	10.2
693.63373	1.5
711.30975	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	711.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.14147	0.4
65.00211	1.2
70.21719	0.4
70.25991	0.7
70.26373	1.0
71.18257	0.4
77.27509	0.3
83.01261	0.8
84.58106	0.4
85.02818	0.7
107.01273	3.1
109.02835	1.9
110.04604	0.4
114.80271	0.4
121.02840	0.5
125.02379	0.7
133.02872	0.8
135.04396	0.4
143.04909	0.5
151.00278	7.8
163.00302	0.8
165.01807	0.5
166.25027	0.4
169.01376	1.0
171.04459	1.6
175.00311	1.0
175.03947	1.1
178.99763	1.4
187.03926	0.7
191.01915	0.5
194.86180	0.4
199.03947	4.9
201.01889	1.2
203.03374	0.5
212.04820	0.4
213.01820	0.5
215.03384	2.1
216.04227	0.4
226.02699	1.5
227.03497	3.8
229.04935	0.5
242.02202	0.4
243.02953	6.7
254.02162	0.5
255.02931	3.4
271.02472	69.7
272.02872	4.8
283.02536	0.5
285.03854	0.6
297.03992	0.5
299.01956	100.0
300.02579	17.5
301.03503	33.6
302.03891	2.5
313.03687	0.7
343.04559	1.7
458.41248	0.4
462.08011	20.3
463.08707	14.9
464.08981	1.3
501.79147	0.4
505.09897	14.2
506.10318	2.4
547.11041	1.0
557.89258	0.5
600.07434	0.5
625.14246	2.2
667.15155	72.9
668.15479	12.4
711.30634	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.7
59.01251	4.0
63.02266	2.6
63.63512	1.3
65.00208	4.3
71.01263	3.4
71.23459	2.4
71.23798	1.6
71.50621	1.3
83.01269	2.0
85.02832	6.8
89.02295	1.6
93.03314	1.5
98.19927	1.4
99.00783	1.5
103.52155	1.5
107.01254	7.5
108.02065	15.5
109.02849	6.3
109.71632	1.4
113.02344	2.0
116.39174	1.3
119.53952	1.3
120.54471	1.5
121.02840	6.3
125.02346	6.5
134.03658	1.6
135.00777	1.7
135.04472	1.7
137.02332	3.0
151.00288	29.8
152.01070	23.6
161.02367	2.8
163.00291	3.5
163.03954	1.9
164.01010	1.5
169.01355	5.8
178.99802	13.3
227.03505	2.2
243.03053	9.2
254.02226	3.2
255.02963	27.0
256.03372	2.3
271.02484	47.8
271.05490	2.5
272.03015	4.6
273.03928	1.5
285.04111	1.9
299.01855	3.1
300.02765	100.0
301.03531	99.7
301.06314	1.4
302.03857	6.6
411.14551	1.7
429.10379	2.2
447.11337	6.0
463.08801	19.6
505.09906	91.4
506.10608	9.5
667.15094	15.4
668.15576	2.1
691.82373	1.6
711.25201	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.3
61.98705	68.2
71.01237	0.8
71.58758	1.5
78.95786	2.1
81.03341	3.5
83.01265	1.3
112.08533	0.8
123.08083	2.7
125.02367	6.1
125.05999	2.7
138.70409	0.9
149.02295	1.0
152.01044	1.3
165.09131	29.0
166.09419	1.2
169.01323	0.9
191.06982	1.0
209.08144	100.0
210.08438	4.7
223.09657	1.6
233.08173	22.3
234.08473	1.1
251.09290	5.0
293.21210	1.4
327.04575	0.9
363.54071	0.9
376.65469	0.9
647.34296	16.6
648.34760	4.0
703.78131	0.9
711.40936	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.481
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	0.8
64.76145	0.2
70.31546	1.1
78.95775	8.5
100.16052	0.2
110.98413	5.0
152.99503	0.4
167.01051	2.2
171.13928	0.3
277.21704	0.8
279.23276	100.0
280.23624	8.5
281.24841	0.6
293.21310	0.4
368.41248	0.3
429.24039	0.9
430.24637	0.3
447.25208	4.5
448.25623	0.6
709.48187	4.4
710.48132	1.5
712.39044	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06733	0.6
70.31046	2.6
70.31403	1.2
78.95786	7.8
102.57970	0.8
103.39878	0.6
110.98425	6.3
148.57947	0.7
167.01079	1.6
210.87653	0.7
211.35075	0.6
230.89818	0.7
267.47791	0.6
277.21741	0.9
279.23285	100.0
280.23584	9.5
306.56833	0.7
429.24246	0.9
447.25220	4.9
486.39529	0.8
537.80389	0.9
709.47760	4.1
710.48401	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.7
57.03327	1.1
58.00464	0.5
59.01252	7.8
69.03323	0.8
70.67091	0.4
71.01251	6.0
73.02814	1.3
78.95798	1.3
83.01233	0.6
83.04895	1.1
85.02825	1.4
87.00751	1.0
89.02338	3.8
95.01253	0.7
95.04860	0.5
97.06478	3.3
101.02322	3.9
102.76740	0.4
113.02358	2.4
116.92777	0.6
119.03409	1.2
125.02328	0.6
125.09677	0.5
151.11192	15.0
152.99492	1.1
161.04494	0.5
169.12259	100.0
170.12604	5.7
195.10283	2.2
209.11745	1.2
211.13390	0.6
213.09219	0.7
213.11276	14.7
214.11751	0.6
218.91049	0.5
235.08179	1.4
253.09247	2.4
277.21725	25.2
278.22101	2.9
279.22931	0.5
281.25024	0.9
431.19064	3.1
449.20273	8.7
709.41711	73.0
710.42072	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	709.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63428	0.9
55.01750	1.8
55.20459	1.1
57.03327	6.1
59.01254	36.1
61.98686	2.4
71.01255	21.5
72.99174	5.3
73.02827	4.3
75.00751	28.2
78.95779	2.0
83.01258	4.5
85.02829	28.1
87.00748	9.1
88.98701	1.0
89.02331	2.7
95.01244	5.5
96.10499	1.1
96.95898	1.3
98.19678	2.3
99.00765	9.6
100.71798	1.1
101.02334	7.1
111.00745	1.8
112.01556	1.8
113.02332	26.2
115.00240	2.3
117.01860	1.8
125.02299	2.6
127.57503	1.2
129.01781	1.2
157.01288	1.4
161.68692	1.1
169.01355	1.1
171.10175	1.4
175.02419	2.3
201.11160	1.2
206.29372	1.1
209.11801	4.4
211.13307	1.6
227.12833	1.3
229.79794	1.2
253.09082	1.5
260.63879	1.2
277.50269	1.0
283.26660	1.3
291.19467	1.5
309.20700	1.2
329.30750	1.0
649.38776	1.5
691.39252	1.4
709.40240	100.0
710.40631	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	709.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45925	0.7
57.03316	2.6
57.13373	0.8
59.01252	6.3
61.69815	0.7
61.98708	8.7
65.08492	0.8
66.98528	0.8
70.05822	0.8
71.01265	6.3
73.02824	1.8
78.90423	0.7
78.95756	2.4
82.54363	0.8
83.04890	1.7
85.02800	1.5
87.00774	1.5
89.02303	3.1
95.04887	2.7
97.06467	9.2
101.02341	5.7
113.02303	3.2
119.03395	1.3
133.10129	1.2
145.04909	1.1
149.09648	0.8
151.11198	19.5
152.99471	2.0
161.04482	1.1
169.12268	58.3
170.12656	1.7
195.10216	4.2
209.11774	1.5
213.11247	14.3
214.11774	1.3
227.12862	1.2
235.08194	2.2
253.09308	4.7
277.21729	70.3
278.22214	6.0
431.19330	4.3
449.20273	5.8
473.16644	1.1
474.71365	0.9
555.11462	0.9
709.41663	100.0
710.42084	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	709.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51817	0.4
57.02632	0.4
59.01246	4.5
61.97205	0.3
61.98703	0.9
69.03336	0.8
71.01259	3.7
73.02812	0.9
83.01261	0.7
85.02822	1.0
89.02297	2.3
96.95910	0.5
98.20557	0.9
101.02317	2.4
101.21443	0.4
113.02336	1.4
123.08007	0.5
125.02360	0.9
141.09093	0.4
153.09126	0.7
153.12746	1.5
161.04471	1.7
167.10725	0.5
169.12253	6.0
171.10216	0.4
179.05522	0.5
179.10698	0.6
179.14229	0.6
195.13846	5.2
196.14500	0.4
197.11768	100.0
198.12071	4.5
205.12296	0.6
209.11723	1.0
211.13246	0.7
223.13350	3.8
224.13960	0.5
235.08194	3.2
253.09264	14.0
256.13147	0.7
263.20190	0.9
275.20160	4.5
277.21762	0.7
293.21240	60.3
294.21558	4.9
298.18307	0.4
433.20685	3.4
529.30194	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81363	2.7
59.01253	23.0
60.52315	2.5
63.59731	3.0
67.62657	3.0
70.72382	7.6
70.72719	3.3
71.01250	9.4
73.02803	3.3
78.95778	7.6
85.02808	4.1
89.02293	4.2
89.56140	3.0
96.31625	2.8
96.95910	3.1
101.02299	5.1
109.06490	7.0
113.02323	3.1
121.75232	2.9
171.10162	10.4
183.13823	13.2
183.73796	3.0
199.09691	42.3
207.10289	14.5
209.11790	6.8
211.13336	100.0
212.13582	6.5
225.11266	13.1
235.08107	4.0
253.09224	10.9
266.35068	3.5
273.35104	2.9
291.19601	3.0
316.33136	2.8
321.73431	3.0
375.21817	4.1
401.23428	3.8
435.18549	7.3
447.22360	5.5
611.30768	5.9
629.31805	4.9
655.33282	9.2
671.80127	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	709.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	4.7
59.01251	18.1
61.98690	3.6
64.67298	2.7
71.01258	14.4
72.99180	5.1
73.02835	3.9
75.00742	4.4
78.95770	4.7
83.04881	2.9
85.02841	8.5
88.98681	5.3
89.02348	10.3
96.95914	7.8
97.02844	4.1
101.02332	6.7
113.02363	11.0
125.02343	12.1
163.11092	3.3
169.01292	5.9
171.10197	20.4
173.60513	3.1
181.12340	3.4
183.13791	3.4
209.11775	100.0
210.12247	4.3
211.98708	3.0
227.12859	31.3
229.46544	4.6
235.08125	3.0
245.50444	3.1
253.09254	10.1
311.22342	6.6
355.73386	3.2
396.75259	2.9
445.20880	6.0
463.21057	3.8
663.87396	3.5
709.32977	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	709.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	100.0
61.98699	14.7
69.85675	43.8
71.01267	26.5
78.16468	8.0
78.95784	21.2
89.02303	8.7
98.19775	11.2
101.02329	11.9
125.02315	9.6
140.96103	9.4
171.10258	15.6
183.13872	56.6
197.11777	57.9
199.09732	36.4
201.11131	8.7
207.10220	24.1
209.11713	42.4
211.13345	91.5
222.58936	7.6
227.12752	11.8
253.09395	16.9
293.21182	36.2
360.02017	10.1
390.87012	9.6
701.80499	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	709.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23738	8.3
55.78231	7.0
59.01250	100.0
61.98688	12.9
71.01263	15.4
71.58508	8.6
78.95783	38.3
89.02309	12.9
96.96850	10.5
101.02325	11.8
106.91463	7.0
152.92503	7.6
152.99509	18.7
171.10181	16.8
183.13757	18.7
197.11774	96.7
198.12070	8.2
199.09740	32.1
201.11211	10.9
207.10222	16.1
209.11739	21.7
211.13362	44.5
212.13736	8.5
225.11305	17.3
253.09253	23.8
293.21228	50.7
461.19995	9.9
480.24484	8.9
642.84796	8.4
688.58069	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	709.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83426	1.9
59.01256	23.4
65.81299	1.7
71.01262	7.3
71.58636	3.2
71.59059	2.3
73.02826	3.1
78.95779	16.8
83.04884	1.6
85.02785	2.1
88.41885	1.8
89.02325	4.2
96.95896	3.0
97.02837	2.2
100.03549	2.0
101.02328	7.3
109.06466	4.8
113.02300	2.5
113.52015	1.7
124.26537	2.0
125.09608	2.2
151.58537	2.0
152.99487	8.3
155.10683	4.0
161.04503	2.6
163.11198	4.6
168.29956	1.9
169.01569	1.7
171.10208	9.3
181.08727	5.6
183.13882	16.1
193.12318	3.0
197.11812	5.8
199.09689	42.7
207.10194	13.9
209.08168	2.0
209.11752	12.7
210.12068	2.0
211.13336	100.0
212.13577	5.4
225.11275	14.8
235.08206	7.9
249.23071	2.0
253.09248	14.7
254.55797	1.9
293.21234	4.4
373.23590	3.9
375.21600	4.2
401.23245	2.4
435.18808	5.8
436.70755	2.1
443.19269	2.1
447.22195	6.4
461.20575	3.6
536.69739	2.7
593.30310	4.1
611.31012	5.3
629.31311	3.0
637.32361	8.0
655.33466	8.1
677.35620	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	709.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94530	0.9
54.45136	0.8
55.01750	1.5
57.03323	3.4
57.93663	0.8
58.00472	1.9
59.01251	20.0
59.80095	0.8
67.84734	0.9
68.99699	1.0
69.03313	1.4
69.74282	5.1
71.01257	25.9
72.99184	6.7
73.02812	1.8
75.00749	23.9
83.01252	4.0
85.02826	23.9
85.03352	1.2
87.00761	6.1
89.02325	10.8
91.80991	0.8
94.82272	0.8
95.01250	1.6
97.02857	1.7
98.20528	1.3
99.00760	7.8
101.02330	6.5
102.02567	0.9
102.82779	1.0
113.02336	20.4
115.00261	2.5
117.01817	1.8
119.03418	1.2
125.02356	4.0
129.01782	1.8
131.03406	2.1
134.00282	0.8
167.03365	1.1
169.01361	3.2
173.04474	3.0
175.02438	3.0
177.01935	1.0
179.03499	1.0
191.01927	1.3
193.03523	1.6
233.90300	0.9
235.04564	1.3
285.04059	1.7
310.08823	1.0
400.16211	0.9
509.55615	1.0
691.28247	1.1
709.29260	100.0
710.29669	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	709.293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23765	0.9
55.01750	1.0
57.03326	5.1
58.00471	1.5
59.01251	23.6
59.34941	1.1
63.42310	0.9
67.13797	0.9
68.99713	1.1
69.03329	2.2
69.74233	3.9
69.74641	1.8
71.01254	27.0
72.99184	5.6
73.02814	3.1
75.00749	29.0
76.16634	1.0
83.01248	3.9
85.02827	28.1
85.14228	0.9
87.00770	7.4
89.02315	10.2
95.01264	3.7
97.02826	2.4
99.00742	7.1
101.02322	6.9
109.02813	2.1
111.00783	1.7
113.02332	22.7
113.03067	2.0
115.00249	2.1
117.01819	1.6
119.03387	2.4
119.81164	1.0
125.02335	8.1
129.01791	1.0
131.03355	2.8
167.03334	2.1
169.01332	4.6
173.04449	2.9
175.02344	2.1
177.01910	1.2
193.03426	1.6
235.04539	2.0
243.02864	1.5
375.76254	1.0
500.52325	1.1
619.77551	1.1
709.29254	100.0
710.29486	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	709.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48439	1.6
57.03322	2.8
58.92749	1.4
59.01245	7.2
68.29609	1.6
69.03364	1.7
71.01250	6.8
71.57321	3.5
72.99172	2.7
73.02817	2.0
83.98838	1.4
85.02802	3.6
87.00762	2.4
89.02293	2.5
93.03342	3.0
97.02869	1.5
97.90477	1.5
99.00747	2.5
101.02290	3.0
108.02044	50.3
109.02860	9.9
109.90376	1.6
111.00704	1.6
113.02319	3.2
122.03616	5.0
123.04391	3.2
123.08065	3.1
124.05144	3.0
125.02352	4.3
134.03638	2.3
135.04410	2.3
137.05995	3.5
139.07542	8.0
149.02345	1.8
151.03940	3.2
152.01054	99.3
153.01721	5.5
153.73413	1.5
161.04474	2.0
162.06790	5.9
163.03876	4.6
167.03406	8.8
169.01434	2.5
171.11739	1.7
177.01852	2.3
179.03334	1.9
187.11160	3.1
205.12202	3.7
219.57802	1.4
221.08139	6.8
238.15250	1.4
247.06001	2.2
281.13919	15.3
282.14304	9.8
283.14606	3.5
288.68964	1.7
289.57288	2.0
297.06027	2.0
315.06946	1.5
356.41644	1.7
429.10196	12.4
443.11917	5.7
447.11465	19.6
448.11795	2.3
691.26349	5.0
709.23450	100.0
710.23926	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	707.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47567	1.3
59.01252	3.7
71.01264	2.5
74.14496	1.7
78.95773	7.8
80.81075	1.4
81.86349	1.4
89.02328	1.9
93.44966	1.6
101.02330	1.9
113.02332	2.4
140.42749	1.6
140.43958	1.5
152.99522	7.6
153.56616	1.6
183.13879	5.7
206.17999	1.8
211.13344	100.0
212.13710	5.0
225.11316	3.6
235.08078	2.3
253.09288	6.9
277.21725	62.5
278.22070	6.2
279.23349	2.0
312.55597	1.5
318.12637	1.6
447.22437	2.6
453.15189	4.3
471.16702	3.2
655.27704	1.7
668.48883	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36610	0.7
59.01252	4.1
60.99173	2.6
69.00338	0.8
69.28421	3.9
69.28855	4.9
71.01251	1.7
74.00037	0.7
78.95774	3.7
88.98682	16.8
89.02307	1.8
101.02322	1.6
119.03338	0.8
135.14673	0.8
151.17061	0.9
152.99474	3.7
181.12357	1.1
183.13860	5.0
193.12267	1.7
195.06546	1.5
207.10199	2.1
211.13339	100.0
212.13699	5.1
225.11314	2.3
233.65141	0.9
235.08170	1.6
235.25192	0.8
253.09286	6.5
253.21581	1.0
277.21725	59.5
278.22031	4.8
313.18079	1.0
447.22351	1.9
453.15402	1.5
546.93195	0.9
593.13538	1.1
617.33191	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	8.0
59.01257	26.0
61.29353	1.6
68.99677	1.7
69.35819	16.6
71.01264	26.5
72.01570	1.6
72.99185	13.3
73.02833	3.1
75.00750	31.4
78.95816	2.0
83.01270	4.2
85.02832	21.2
87.00743	9.3
89.02354	5.0
95.01271	5.1
96.95882	3.8
97.02856	2.3
99.00767	14.4
101.02333	5.4
108.02105	1.9
109.02827	2.5
113.02340	22.6
115.00276	5.2
117.01808	2.8
119.04903	9.4
123.04421	1.9
125.02348	19.6
129.01837	3.9
135.04411	1.9
137.02354	5.0
145.02840	2.3
149.02325	3.1
151.03902	2.1
152.01022	1.6
152.99493	1.5
153.01788	3.1
157.01270	2.6
161.02380	2.8
163.03932	2.8
165.05551	2.3
166.02634	1.6
167.03470	3.1
169.01346	8.7
171.04411	2.2
175.02446	3.7
177.01781	2.4
179.03384	1.7
183.04495	2.4
187.03926	2.8
195.06566	1.6
199.03949	6.2
211.03946	6.7
227.03496	12.2
254.02182	5.7
255.02992	100.0
256.03510	10.1
257.04465	1.8
267.07275	4.1
269.04590	5.2
270.05356	65.9
271.06113	15.6
284.06924	2.5
285.07700	55.8
286.08130	5.1
388.13403	1.8
475.12457	7.2
489.13876	2.6
605.15674	1.8
633.14496	1.8
665.17432	49.6
665.29535	5.7
666.17090	7.4
709.32355	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	707.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88018	0.5
54.04069	0.5
54.81736	0.6
55.01739	1.0
57.03313	1.8
58.00466	1.9
59.01254	22.6
60.53479	0.5
60.99190	0.7
61.98706	0.7
69.03331	2.1
70.88787	1.8
71.01254	20.9
72.99184	2.5
73.02823	3.3
73.38651	0.5
75.00737	1.2
76.98996	0.5
78.95782	1.4
81.03310	0.8
83.01249	1.7
83.04907	1.2
85.02834	3.8
87.00755	3.7
88.98687	4.2
89.02321	16.1
95.01263	1.6
96.95870	0.7
97.02839	2.1
97.06459	0.6
99.00764	1.3
99.04424	0.6
101.02325	13.0
109.02862	0.8
109.06441	1.3
111.08050	11.6
112.05814	0.5
112.08403	0.5
113.02325	7.4
119.03413	5.4
121.02865	0.8
123.00801	0.9
123.04356	0.6
125.02345	7.5
125.09565	0.7
127.07532	0.7
131.03401	1.0
137.02423	0.6
139.03914	0.8
143.03389	1.9
149.94785	0.6
151.07544	0.6
152.99533	0.7
153.12723	0.9
159.02965	0.5
161.02339	0.7
161.04480	2.9
163.11189	0.8
165.12785	1.5
169.01288	1.8
169.12251	4.3
171.10179	4.3
172.23654	0.6
179.05589	3.9
181.12291	1.6
183.13838	7.8
184.14258	0.6
193.12312	0.8
197.11771	52.2
198.12141	2.2
199.09779	0.5
199.13367	3.6
200.82706	0.6
201.11331	1.1
205.05003	0.9
207.10201	1.7
209.11713	2.9
211.13393	8.5
221.06650	1.4
225.11249	1.2
227.12843	2.9
235.08185	4.9
253.09251	2.2
263.20224	3.5
265.18152	1.3
273.18619	0.8
289.07071	0.7
291.16299	0.9
291.19632	14.5
292.19946	1.0
309.20706	100.0
310.21075	9.6
334.14359	0.6
357.15485	1.2
397.13495	14.4
398.13940	1.9
415.14560	31.8
416.14816	3.3
439.85565	0.6
463.22296	0.8
617.31476	0.7
629.38147	0.7
653.79993	0.5
663.32440	0.6
707.35126	2.2
708.36328	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.9
57.03327	2.9
59.01250	30.0
61.98697	12.2
65.03822	2.0
71.01255	27.3
72.99178	2.9
73.02814	4.7
78.95790	5.6
80.96415	2.2
83.01254	3.2
83.04922	2.1
83.92765	1.5
85.02820	7.3
87.00750	6.2
89.02328	28.6
95.01305	1.7
95.04903	1.8
95.60783	1.4
96.95891	3.2
97.02829	5.5
101.02323	23.1
111.08057	11.7
113.02337	10.7
119.03388	9.4
125.02357	10.0
143.03349	3.0
152.99478	2.2
161.04463	4.1
167.10678	1.8
169.01353	1.9
171.10130	2.7
179.05530	3.7
179.10712	3.0
185.11671	2.1
195.13817	6.0
200.14734	1.7
205.04927	2.1
209.11745	5.1
211.13303	1.9
235.08249	7.1
247.20699	1.9
252.43437	1.6
253.09143	2.1
263.07623	1.8
291.19659	100.0
292.20041	7.5
309.20837	2.4
397.13333	14.9
415.14636	12.0
707.37939	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	707.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.4
59.01253	22.3
59.54594	1.3
61.98691	1.5
69.03328	2.1
70.63586	1.4
71.01251	19.9
71.55186	1.4
71.58311	1.4
72.99167	3.1
73.02814	1.6
73.72277	1.2
78.95771	5.8
79.06549	1.2
83.01264	2.2
85.02818	4.6
87.00748	5.5
89.02315	14.2
95.01261	2.0
97.02787	3.3
101.02312	13.1
108.69234	1.4
111.08017	10.5
113.02344	5.6
119.03393	6.2
122.41648	1.4
125.02331	5.9
138.18298	1.3
143.03418	2.1
152.99510	1.8
161.04433	3.0
169.12245	3.9
171.10132	2.5
179.05511	3.0
183.13663	1.6
191.05402	1.7
197.11765	54.3
199.13283	1.7
211.13293	8.5
235.08231	3.9
244.34544	1.6
263.20221	2.3
273.18692	1.8
291.19708	16.5
292.19864	2.0
305.08493	2.2
309.20697	100.0
310.21048	6.4
397.13574	17.5
415.14566	29.5
430.85880	1.5
707.35474	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	4.1
58.00464	2.1
59.01252	38.2
61.98701	8.1
63.27616	1.2
67.01773	1.7
68.94453	1.6
69.03315	1.5
71.00891	2.5
71.01259	32.9
72.99187	2.9
73.02817	4.6
75.00738	3.2
78.20964	1.3
78.95781	18.2
83.01250	2.6
83.04867	1.6
85.02825	9.7
87.00761	6.0
89.02324	27.2
92.21698	1.6
95.01262	1.8
96.95898	1.6
97.02841	4.5
98.20537	5.0
99.00740	1.7
101.02327	23.6
108.27897	1.2
111.08045	11.6
113.02331	8.3
119.03385	8.7
125.02346	9.9
130.78319	1.3
143.03401	3.2
152.99461	8.7
161.04437	5.2
169.01341	3.5
171.10152	2.9
177.12846	2.5
179.05525	5.0
179.10684	1.5
195.13860	7.8
197.11668	2.6
199.13324	1.5
201.11264	2.7
209.11769	7.9
211.13371	4.8
221.06638	1.4
223.13319	3.5
225.11273	2.0
227.12801	2.0
234.15144	1.6
235.08212	6.2
247.20714	1.5
253.09331	2.4
263.07727	1.5
272.09415	1.7
291.19659	100.0
292.20026	8.7
309.20749	3.4
364.88986	1.5
397.13358	12.2
415.14600	12.8
417.71658	1.4
445.19916	1.6
540.76105	1.4
612.03821	1.4
707.38141	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	707.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73124	0.7
52.64611	0.6
55.01755	1.1
57.03322	1.5
58.00463	1.3
58.22765	0.7
59.01255	30.8
69.03337	1.8
70.02531	3.1
71.01254	24.5
72.99174	1.6
73.02823	3.3
75.00745	1.1
83.01257	2.0
85.02824	5.8
87.00745	4.9
89.02318	21.0
91.03843	0.9
95.01259	1.7
95.38892	0.8
97.02817	3.1
98.19927	1.1
99.00711	1.5
101.02322	15.8
109.06473	1.0
111.08046	18.2
112.08382	1.2
113.02331	8.6
119.03393	6.5
123.08050	0.7
125.02356	6.6
127.07571	0.8
131.03389	1.5
143.03407	3.2
149.04515	1.3
153.12762	1.0
161.04474	3.2
169.12248	7.1
179.05537	5.4
179.10767	1.0
181.12279	1.0
185.04453	0.8
193.12256	0.9
197.11772	75.7
198.12038	3.3
199.13338	4.0
209.11742	2.3
211.13338	7.6
212.13675	1.1
221.06610	2.0
227.12845	2.2
235.08270	6.0
247.20782	1.0
253.09254	1.7
263.07761	1.3
263.20258	3.5
265.18161	2.4
273.18573	1.0
278.04883	0.7
287.07925	0.9
291.19635	16.1
292.20148	1.3
305.08786	1.0
309.20718	100.0
310.21097	8.6
397.13538	25.4
398.13977	1.2
415.14557	34.1
416.15051	2.5
460.38028	0.7
568.76654	0.9
675.90436	0.8
707.34406	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	707.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14893	0.4
55.01743	0.9
55.58392	0.5
57.03333	4.4
59.01251	4.1
60.49488	0.4
65.03838	1.1
69.03308	0.5
71.01247	2.1
72.99167	0.6
81.03314	0.8
83.04885	5.0
85.02818	1.1
87.00753	4.4
93.03321	0.8
95.01271	0.8
95.04896	1.7
96.95897	4.6
97.02856	0.6
97.06498	0.7
101.02325	0.8
107.04913	0.8
108.02047	0.6
109.02818	1.1
109.06448	1.1
111.04424	2.5
111.08032	1.5
113.02332	1.2
113.05984	0.6
119.04909	2.2
119.08572	1.2
121.06477	3.4
123.00798	0.5
123.08050	13.6
124.05225	1.0
124.08372	0.7
125.02367	3.8
125.05960	1.5
134.03647	1.1
135.04384	0.6
135.08061	0.7
137.06006	0.7
137.09596	1.9
139.07533	1.9
145.10135	2.2
149.02258	0.6
151.07561	1.7
153.09091	1.6
163.03868	1.2
167.51541	0.5
168.00557	1.0
169.01375	3.1
169.08710	1.3
169.10164	1.8
171.11708	14.9
172.12035	0.9
175.11180	0.8
177.01839	0.6
180.07600	0.5
185.09552	0.7
189.12755	5.6
201.12807	4.9
207.13872	3.3
211.02417	5.2
219.11688	0.4
219.13878	2.1
237.14928	24.0
238.15242	1.2
271.04617	7.6
272.04935	0.6
281.13940	100.0
282.14288	7.1
305.13928	1.9
306.74680	0.5
323.14948	1.8
331.06662	2.0
370.04517	0.7
377.16013	0.8
555.16980	7.3
556.17456	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.3
57.03325	0.7
59.01253	100.0
60.01579	0.7
69.27085	0.4
69.83425	2.1
71.01259	10.6
72.99200	0.6
73.02808	3.1
75.00784	0.7
83.01277	1.6
85.02819	5.4
87.00780	0.5
89.02325	3.1
95.01277	0.6
97.02827	0.8
99.00745	2.1
101.02326	10.1
113.02335	4.3
119.03400	0.7
120.14812	0.4
125.02397	0.9
129.01860	0.7
138.06787	0.5
145.08575	0.4
150.85069	0.4
153.01886	0.4
153.09140	2.1
159.02922	0.8
161.04474	3.5
179.05647	0.9
205.12347	0.9
223.13441	0.7
235.11836	15.9
236.12271	0.5
243.46873	0.4
245.49008	0.4
277.12949	7.8
321.11719	0.7
321.15680	1.3
322.59921	0.5
331.93015	0.5
385.18750	1.2
431.73285	0.4
657.22937	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32756	0.9
59.01239	5.5
61.98707	8.3
63.02267	1.9
65.00198	1.6
78.95771	4.3
83.01260	2.0
102.85237	1.2
107.01242	3.0
109.65795	1.2
121.02859	1.6
125.02322	2.6
133.02861	5.5
134.03622	1.5
137.72655	1.1
137.87521	1.2
151.00282	5.3
152.99518	5.2
158.37680	1.0
169.01346	1.6
175.03989	2.5
182.09778	1.1
183.13646	1.2
185.06059	1.0
198.43091	1.0
199.03938	3.0
209.08186	2.4
209.11771	1.9
209.79619	1.1
211.03963	1.5
211.13277	4.8
227.03423	5.7
235.16093	1.4
243.02847	1.1
255.02989	8.7
256.03635	4.7
277.21762	5.1
278.22101	1.2
284.03278	56.0
285.04053	100.0
286.04425	5.9
471.16061	2.8
707.30585	69.5
708.31128	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	707.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77493	0.4
54.05650	0.3
57.03318	1.4
59.01255	18.9
61.88524	0.4
61.98706	0.5
69.03310	0.5
69.43896	2.2
69.44321	1.4
71.01262	3.9
71.43801	0.4
72.99184	6.5
73.02790	0.9
75.00749	1.1
83.01267	0.6
83.04867	0.4
85.02826	2.0
87.00762	1.8
89.02345	1.3
93.03366	0.9
94.64091	0.4
96.95884	1.0
98.20332	1.8
99.00773	2.3
101.02328	1.7
106.80479	0.4
113.02319	2.4
119.04922	100.0
120.05232	3.4
122.58714	0.4
123.04388	0.4
125.02367	2.1
133.06509	0.7
137.02328	0.6
145.02873	1.5
161.02409	0.5
161.04413	0.5
161.05980	1.0
163.03928	58.8
163.11217	0.6
164.04280	2.2
165.01897	0.7
169.01381	0.8
171.10219	0.5
175.02460	0.4
187.11319	0.6
193.04916	0.4
201.11299	0.7
205.04987	1.2
205.12225	0.7
207.10132	0.8
209.11732	1.6
223.13362	5.9
249.05930	0.4
267.07272	1.5
267.12350	3.5
289.07260	0.4
315.00012	0.4
325.09323	0.9
439.12503	2.3
457.13525	59.6
458.13748	4.7
647.22571	0.7
689.33704	0.7
707.25378	25.2
708.25745	3.9
712.50641	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38502	0.7
57.03323	1.1
57.08380	0.8
59.00986	1.2
59.01260	14.9
69.27166	7.8
70.61193	0.8
71.01243	3.9
72.99186	5.8
73.02811	1.7
75.00757	1.2
83.01240	1.2
85.02837	3.1
87.00769	2.3
89.02335	1.4
93.03366	1.0
96.95906	1.7
99.00754	3.1
101.02319	1.5
113.02341	1.6
117.03323	1.1
119.04921	100.0
120.05244	3.1
122.06066	1.2
125.02322	3.3
133.06430	1.4
145.02893	1.6
161.02356	1.3
161.06003	1.1
161.09595	0.8
163.03925	62.9
164.04211	1.9
164.07033	1.1
169.01321	1.2
201.11261	1.1
205.04968	1.2
205.12192	1.0
207.10197	1.5
209.03021	0.8
209.11725	2.5
223.08716	0.9
223.13330	5.0
225.11237	1.1
261.08768	2.1
267.12317	2.9
281.09048	0.8
282.05325	1.0
439.12314	2.1
457.13519	66.6
458.13754	6.2
479.27484	1.0
663.31738	1.5
689.34314	1.2
707.25409	26.7
708.25739	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	707.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99966	0.8
57.03311	0.9
59.01254	15.3
71.01254	4.3
71.60154	1.2
72.99178	5.6
73.02823	1.3
73.24660	0.7
85.02827	2.3
87.00757	1.2
93.03332	1.0
96.95853	1.8
98.95450	1.2
99.00742	3.2
101.02301	1.3
113.02321	2.6
119.04920	100.0
120.05242	4.2
121.02817	1.0
125.02351	2.8
135.04454	0.9
136.07555	1.0
145.02869	2.7
149.02406	0.9
162.74792	0.9
163.03920	58.5
164.04297	1.7
164.07133	1.0
171.10219	1.1
175.04025	0.9
201.11372	1.8
205.04956	1.1
209.11740	2.0
223.13420	4.1
242.67093	0.8
243.07639	0.9
261.08936	1.7
263.70282	0.9
267.12332	2.8
273.12372	1.3
343.50034	0.9
395.65836	0.9
439.12393	2.5
457.13495	62.1
458.13721	5.4
625.60986	1.0
689.34308	1.2
707.25323	22.2
707.37024	1.4
708.25702	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	707.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12968	1.6
53.04929	2.2
53.68147	2.1
55.17651	1.8
55.25854	2.1
56.91132	1.8
57.03322	6.4
59.01253	56.2
62.63283	1.7
71.01252	13.4
71.58972	3.2
72.99181	15.5
73.02798	3.7
73.82664	2.0
75.00739	7.0
77.09741	2.0
84.49199	1.8
85.02831	12.1
87.00739	6.0
89.02290	5.1
93.03322	7.6
99.00745	7.8
101.02343	4.8
109.02840	2.9
111.00748	2.4
113.02335	19.2
117.03331	2.3
119.04916	77.9
120.05242	2.8
121.02877	2.2
124.01423	1.8
125.02341	9.5
134.03529	1.9
137.02330	2.4
145.02882	12.9
159.08058	3.2
163.03912	56.2
164.04204	3.4
165.01952	2.4
166.78336	2.2
171.08066	4.9
177.01804	2.3
183.08124	2.3
183.08702	2.5
183.10181	16.4
187.11121	2.4
197.09593	3.4
203.07036	6.4
209.08075	8.7
209.11797	2.0
211.11156	2.7
213.12843	3.4
223.13298	3.3
225.12874	4.0
227.09146	6.6
249.06047	6.0
249.23679	2.1
267.07190	22.9
281.19147	3.8
283.17020	21.7
289.07236	5.2
296.19269	2.1
309.08340	9.9
374.18323	2.3
393.11792	2.8
413.10925	31.5
414.10800	2.5
437.10956	6.4
455.11789	6.0
457.13519	29.9
497.16449	2.2
517.87909	2.1
663.26624	9.7
707.25574	100.0
708.25916	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	705.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	7.0
71.01260	3.4
83.04894	3.3
85.02837	1.6
87.00783	2.1
89.02316	2.1
94.95429	1.5
98.19755	3.1
101.02375	1.9
102.42645	1.5
102.72697	1.4
113.02310	2.1
125.02349	2.1
136.17395	1.6
137.02412	1.5
163.11224	2.5
169.12282	2.1
171.10263	2.2
209.11784	100.0
210.12077	4.6
227.12851	15.1
235.08275	2.4
253.09190	7.5
259.15405	3.7
307.19211	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	705.4498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.3
78.95780	10.4
89.50735	0.6
96.63840	0.5
100.21196	0.5
104.49944	0.6
110.98421	7.4
130.11485	0.5
167.01054	3.1
168.81602	0.6
277.21716	100.0
278.22055	8.4
427.22617	0.8
445.23654	3.7
446.23981	0.8
530.81097	0.6
705.45044	4.6
706.45563	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.3
59.01247	10.5
60.87346	1.2
70.71221	3.7
71.01250	5.4
85.02822	2.3
87.00742	1.7
89.02299	3.4
91.84933	1.1
96.95901	4.1
101.02315	3.2
107.01251	3.5
111.00763	2.7
113.02329	2.5
119.03332	1.5
123.00795	2.8
124.01534	1.6
125.02328	33.2
134.03648	1.5
136.98643	1.2
139.00262	3.5
140.01035	3.7
151.00290	2.7
157.25293	1.3
159.18965	1.3
165.01793	1.7
167.03400	2.0
168.00557	17.8
169.01328	44.0
170.01788	2.5
179.10670	3.2
193.01456	1.2
193.04974	1.5
209.17073	1.4
211.02412	82.0
212.02707	3.1
223.09666	3.5
237.15022	2.1
246.93785	1.2
271.04581	100.0
272.04926	4.9
281.14029	7.4
331.06726	25.5
332.06961	1.6
348.94107	1.2
409.62567	1.2
509.24683	1.4
511.18115	3.2
555.17126	93.4
556.17462	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	705.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16743	0.7
52.30690	0.8
57.00003	0.6
57.03318	1.0
59.01251	8.6
61.98700	5.5
69.03344	0.8
71.01257	6.4
73.02807	2.2
80.02560	2.1
81.03326	1.3
83.01230	1.3
83.04894	7.0
84.02036	1.6
85.02828	2.1
87.00748	1.8
89.02316	5.4
95.04869	1.2
97.06470	1.3
99.00738	0.9
99.55890	0.7
101.02318	5.6
109.06570	0.8
111.08022	1.8
113.02316	3.1
119.03371	1.2
125.02387	1.1
130.33995	0.7
133.04965	0.9
135.08032	1.1
140.52892	0.8
145.04982	1.6
161.04474	2.2
163.11166	4.9
165.12779	12.5
180.90172	0.7
181.12178	0.7
183.13832	100.0
184.14134	5.2
185.13918	0.7
191.10750	1.4
209.11774	92.3
210.10405	0.9
210.12050	5.4
211.13342	1.4
225.54712	0.8
227.12854	18.4
228.13074	1.0
233.30948	0.7
235.08168	4.3
238.21400	0.8
253.09264	8.8
445.20840	3.3
463.21857	6.4
524.28821	0.9
655.33142	2.2
673.34375	80.1
674.34729	17.8
705.36890	3.5
706.38281	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.5
57.03312	4.0
58.00438	2.2
59.01254	52.7
61.98701	2.4
69.03321	3.0
69.41917	5.6
69.42320	2.5
70.30520	0.9
71.01255	46.8
72.76668	1.2
72.99185	3.7
73.02828	6.7
75.00744	1.9
78.95761	1.7
81.03313	4.5
83.01248	6.8
83.04896	3.2
84.17261	0.9
85.02828	9.4
85.53029	0.9
87.00758	10.3
89.02318	39.8
95.01242	3.1
95.04891	2.3
96.95894	3.4
97.02826	8.1
97.06483	7.1
99.00735	4.5
101.02322	34.8
105.98751	1.0
106.04124	1.2
109.02822	1.8
109.06473	2.8
111.04394	1.4
113.02325	16.3
115.03862	1.4
119.03401	12.9
121.02850	1.3
121.06462	2.0
122.03555	0.8
123.00750	1.0
123.04427	4.0
123.08061	2.1
125.02338	13.9
125.05993	0.9
125.09614	7.3
131.03400	2.1
131.50890	0.9
135.08072	1.5
137.09654	4.6
139.03815	1.3
141.01820	2.4
141.12738	1.4
143.03397	5.7
149.04401	2.3
149.09688	1.1
151.11143	2.7
160.08891	1.2
161.04475	6.6
161.09528	1.0
163.11188	9.3
165.09033	1.2
165.12740	3.1
167.03412	1.5
167.10707	1.3
167.14153	0.9
169.01276	1.3
171.10168	2.9
177.01772	0.9
177.12851	1.2
179.05566	8.2
179.10672	1.8
181.12259	6.6
183.13821	2.8
184.94632	0.9
185.04436	0.9
185.11755	9.0
191.10684	1.9
191.14349	6.9
197.11745	1.3
199.13255	2.6
201.11035	1.2
207.10243	5.9
209.11778	36.9
209.13785	1.9
210.12025	2.1
211.13377	9.4
212.13495	1.1
217.15831	1.6
219.90567	1.0
221.06595	2.3
225.11324	9.8
227.12836	7.6
235.08229	10.0
237.11232	7.9
243.12141	1.6
245.19054	18.4
245.21545	1.1
246.19237	1.3
251.12811	1.1
253.09215	3.1
263.07971	1.8
263.20099	7.2
271.17130	1.4
281.21127	2.6
289.18091	76.3
290.18503	4.9
305.08725	1.8
307.19153	100.0
308.19495	7.5
323.09692	1.3
325.20148	1.7
331.39151	0.9
397.13507	38.7
398.13800	4.1
415.14548	38.2
415.19116	0.7
416.15002	2.2
511.19052	1.2
607.26398	5.3
673.34290	8.0
674.34534	1.3
687.32556	1.7
705.33936	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	705.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	5.3
61.98715	25.3
69.29086	35.4
71.01247	12.7
78.95781	3.8
80.96371	2.9
83.04903	4.7
86.68857	3.1
90.23621	2.9
90.75648	2.9
98.19759	6.2
102.74076	2.9
102.78226	2.9
125.02345	3.4
129.97212	3.5
145.54465	2.8
171.10107	5.4
187.62598	3.9
195.06537	4.1
209.11763	100.0
211.13190	5.1
223.13364	50.9
224.13745	3.8
227.12891	21.6
235.08202	4.2
253.09297	10.1
445.20987	6.4
459.22235	6.7
651.33826	5.0
705.32092	21.6
706.31207	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	705.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56035	3.0
59.01245	13.0
69.03320	2.8
69.46793	12.6
69.47227	13.4
71.01254	19.9
72.99191	5.3
74.02323	6.2
75.00727	9.1
83.01255	5.9
85.02824	14.7
87.00748	5.3
89.02304	5.0
95.65272	3.0
96.95857	9.5
98.20589	6.5
99.00734	7.1
100.01524	6.2
101.02276	3.7
108.02032	5.3
109.02868	4.3
111.00771	17.0
113.02334	8.5
113.99461	10.3
115.00224	3.5
123.00732	3.4
123.04415	2.7
123.93158	2.8
125.02357	14.3
128.01036	8.6
137.02309	4.3
139.00287	4.1
141.01865	2.8
147.04416	5.3
151.03891	4.9
152.00987	5.0
154.99844	3.4
156.00560	100.0
157.01268	3.4
165.05453	5.5
167.68167	3.2
167.94188	2.7
169.01318	6.8
174.00180	4.0
174.01620	53.1
175.02309	4.4
177.01884	5.3
191.01971	3.3
193.03436	4.8
220.37669	3.1
245.09279	11.7
294.76279	3.4
327.09680	5.1
329.11124	3.6
491.16797	3.3
643.26111	75.7
644.26337	5.1
705.25513	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	705.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65759	1.4
53.54188	1.3
56.93764	1.3
57.03331	2.7
57.23310	1.3
59.01263	8.6
60.81473	1.3
69.61121	2.6
69.61525	9.6
71.01261	11.4
72.99180	3.9
73.02833	1.5
75.00758	8.3
83.01257	3.7
85.02830	8.6
87.00756	6.4
89.02316	4.9
91.81176	1.3
97.02751	1.5
99.00744	9.4
100.01535	8.6
101.02323	2.0
111.00764	17.5
113.02336	8.6
113.99482	12.1
115.00259	2.7
125.02331	4.9
128.01057	10.1
132.30540	1.5
152.01057	1.6
153.01807	2.1
156.00560	100.0
157.01157	2.7
173.04472	1.8
174.01631	54.1
175.02383	4.9
193.03406	2.2
235.04706	1.9
317.26971	1.6
328.69006	1.7
347.41916	1.4
529.22827	3.7
615.26434	1.5
643.26099	75.3
644.26550	10.9
645.23895	5.5
687.25482	4.0
705.26251	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	703.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	43.6
66.05768	0.5
69.67552	3.1
72.99174	4.4
75.94355	0.5
85.02800	0.7
104.66452	0.4
119.04931	6.4
125.02314	2.4
147.04427	100.0
148.04747	4.8
165.05490	89.2
166.05818	3.3
169.01363	2.2
207.06584	53.6
208.06931	2.8
341.06573	1.1
383.84915	0.6
451.10406	0.6
500.22607	0.5
570.93512	0.5
618.95776	0.6
703.18701	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46554	23.2
71.58648	51.3
78.95776	100.0
80.43347	31.3
130.41765	25.9
152.99432	29.5
155.80066	28.0
162.52216	26.8
212.71741	29.0
224.94095	27.0
255.23260	74.5
256.23688	27.6
284.06183	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	705.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01431	4.0
51.94513	4.9
56.68588	5.2
57.03323	5.8
63.86773	4.6
64.20839	4.7
65.00204	5.8
69.48974	42.5
84.24573	3.8
85.33053	4.2
88.37331	4.6
89.82481	4.9
109.02837	5.2
125.02341	25.8
140.00656	4.9
151.00304	14.5
153.01840	12.8
165.01852	9.0
169.01375	8.1
175.00279	15.4
178.99785	18.9
191.03496	6.7
193.01360	100.0
193.02991	8.1
215.03333	4.9
242.85364	5.0
257.04321	5.3
294.17279	5.0
301.03519	20.1
319.04572	12.9
703.61011	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	7.9
59.73457	1.0
62.09434	0.9
70.34265	2.2
70.34651	3.4
77.63214	1.0
78.95777	8.0
94.06519	2.7
96.95901	2.4
97.53459	1.0
99.75282	0.9
103.08636	0.9
105.05737	2.1
107.03667	3.5
118.06518	1.5
120.04535	1.0
120.08086	63.1
121.04413	1.5
121.05230	8.0
121.08445	2.4
122.06011	51.6
123.06356	0.9
134.06029	2.1
136.07555	2.3
137.04745	2.0
146.06026	2.4
146.09692	2.5
152.07063	2.4
152.99513	4.0
164.07098	6.0
171.21924	1.0
194.31602	0.9
215.11842	1.4
223.12329	1.2
225.14090	1.9
237.10277	8.1
238.10994	1.7
239.11920	2.2
243.15065	2.1
249.10338	1.0
250.11168	2.4
251.11887	13.5
252.09198	1.1
252.12567	2.5
253.13429	2.7
255.23325	7.4
256.23587	1.2
265.13464	19.6
266.14160	10.3
267.11383	10.1
267.14984	13.8
268.12186	2.7
280.12146	1.7
281.12994	6.7
287.14059	8.1
293.13190	1.0
298.13220	4.9
300.11078	2.4
302.90237	1.0
309.12720	1.3
328.41495	1.1
344.13892	2.1
346.15591	1.5
346.19305	1.4
358.15640	4.1
359.16486	1.5
360.17136	3.3
372.17374	1.9
373.17801	5.2
374.18646	3.5
388.20319	32.0
389.20724	5.5
391.22476	2.9
409.23654	1.7
414.18216	1.3
420.19403	1.3
432.19263	100.0
433.19675	18.4
434.20255	1.1
465.18826	1.3
492.21436	10.1
493.21637	1.4
499.65338	1.3
541.26538	1.1
555.26123	84.5
556.26392	16.1
615.28143	7.4
703.45593	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	703.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60624	36.9
71.14033	80.9
78.95775	73.3
83.04862	39.8
83.06540	32.5
106.83302	31.4
127.34097	39.5
152.99524	46.3
201.11287	90.8
202.11533	39.2
209.11646	50.8
255.23253	93.9
256.23654	100.0
257.24057	41.4
281.24884	51.6
283.25867	51.2
331.60529	37.6
473.23615	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23604	1.1
57.03307	2.4
57.86185	1.2
59.01249	6.8
69.03324	4.1
71.01265	6.2
71.60441	1.7
73.02828	1.6
75.00741	1.8
80.63042	1.1
81.03327	2.1
83.01245	2.9
84.44768	1.1
85.02835	10.2
87.00764	1.3
89.02295	1.5
95.01266	9.7
96.95883	2.0
97.02838	3.5
99.00773	1.6
101.02336	2.0
107.01261	2.5
108.02041	2.1
109.02818	3.9
113.02319	3.0
119.04904	2.0
121.02854	3.1
122.03638	1.8
123.00781	21.7
123.04357	2.9
124.01570	33.9
125.02347	49.1
125.03249	2.9
126.02673	1.7
129.01807	2.0
133.02850	3.0
134.03596	5.2
135.04395	5.0
137.02344	7.8
145.02859	1.4
149.02345	5.3
149.99500	45.2
150.03136	10.7
151.00206	4.0
151.03864	2.0
152.01015	1.4
153.01825	2.6
159.04411	1.6
160.01617	7.3
160.02667	1.1
161.02295	3.3
163.03920	1.5
165.05498	9.1
166.99806	11.6
168.00565	72.7
169.01358	14.5
175.03922	12.1
177.01805	2.1
179.03421	3.0
180.04166	1.6
191.01877	3.7
193.05005	4.4
209.03038	1.4
267.07291	1.4
506.10297	3.6
562.17401	1.5
703.18665	100.0
704.18951	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	701.4763
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16185	3.7
59.01258	31.1
71.58492	5.1
73.95418	4.9
78.95792	52.5
110.98385	19.7
116.97169	8.7
126.99953	4.9
131.34016	4.3
141.01599	9.0
145.57759	3.6
152.99516	15.4
154.96730	4.5
164.93991	9.1
166.90915	4.8
174.93307	9.2
195.13800	12.8
197.63274	4.5
208.93088	22.3
255.23271	90.2
256.23663	5.5
277.21707	13.5
287.71002	4.2
295.22797	100.0
296.23312	7.8
319.21060	4.4
423.24997	10.2
701.47052	26.4
702.47809	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	701.4761
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77839	6.2
59.41383	5.4
60.89725	5.6
71.48498	8.3
71.48818	9.3
73.03382	5.3
78.95780	27.6
84.86085	5.8
110.98429	13.0
138.94193	6.0
165.34894	8.0
167.00929	8.9
195.13834	18.7
204.30176	6.1
255.23282	79.0
256.23471	7.9
266.69189	6.5
277.21759	15.3
295.22784	100.0
296.22971	14.5
375.61096	5.7
423.25409	9.3
459.67169	6.2
701.47577	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4402
Annotation	Unknow
Peak:m/z	Relative Intensity
70.10243	100.0
78.95774	75.3
91.35416	25.5
95.77302	20.9
104.99311	22.3
135.46016	23.7
152.99461	59.6
255.23184	48.8
359.60776	23.6
391.22357	30.3
409.23416	27.7
679.45850	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.44
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88791	34.2
57.39466	38.0
71.07671	65.0
78.95796	100.0
95.02030	38.9
228.43396	40.0
322.55450	49.7
644.26630	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41973	0.5
56.26654	0.5
56.89381	0.4
59.01250	2.1
71.01250	3.0
71.16724	1.3
73.02806	0.8
73.51859	0.5
73.52273	0.6
78.95773	0.8
83.04887	2.4
85.02826	1.0
87.00762	0.8
89.02309	1.4
95.01352	0.7
95.04897	0.7
99.16223	0.5
101.02321	2.5
110.98351	0.6
113.02330	1.4
115.02046	0.5
119.03368	0.7
121.76028	0.5
122.52718	0.5
124.97323	0.6
129.08078	0.5
136.16595	0.5
145.04988	0.8
151.99123	0.6
153.93112	0.5
154.01637	0.5
161.04474	1.5
163.11168	2.0
165.12837	1.2
181.12186	0.6
209.11763	60.8
210.12056	2.9
227.12871	6.0
235.08176	6.6
253.09271	7.0
255.23268	100.0
256.23624	6.6
277.21643	0.9
295.22781	4.7
312.14224	0.7
354.28229	0.6
420.83627	0.6
701.47729	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05508	0.3
50.82075	0.3
59.01251	7.4
61.98712	0.4
69.03310	0.6
71.01236	1.7
71.07671	0.8
76.56361	0.3
78.95781	2.0
83.04887	0.6
87.00735	0.5
89.02316	0.8
93.84631	0.3
93.86156	0.4
101.02370	1.6
103.37483	0.3
113.02325	0.7
125.02380	0.4
125.08324	0.3
126.58024	0.4
152.99562	0.5
161.04436	0.6
167.14255	0.6
171.10141	3.2
172.10565	1.3
183.13847	5.7
193.12292	1.8
209.11783	1.0
210.12177	0.4
211.13339	100.0
212.13666	5.3
235.08208	1.5
247.06009	0.4
253.09268	3.7
282.05173	0.3
310.21021	0.5
311.22159	0.4
429.21393	0.9
447.22342	6.2
623.34381	0.8
641.35889	0.4
701.39862	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	12.2
61.98701	12.5
64.89969	2.2
69.03322	2.4
71.01260	5.3
71.14297	5.8
78.95787	5.8
83.04900	6.3
85.02827	4.7
89.02323	5.9
97.06456	2.3
97.50499	2.3
101.02338	5.9
113.02374	3.1
120.10889	1.9
125.02348	5.8
152.99539	3.7
163.11180	3.3
163.77483	2.3
167.07094	3.2
167.10721	2.1
169.12260	8.3
171.10167	11.9
172.10553	2.2
179.10681	2.2
179.14249	5.0
195.13779	9.8
197.11777	9.1
205.12288	8.6
209.11772	100.0
210.12167	6.4
211.13351	3.5
215.60992	2.3
221.18130	1.8
223.13344	86.9
224.13672	5.6
227.12787	18.4
228.65680	2.1
235.08330	3.4
239.16522	2.3
253.09351	12.4
255.23204	4.8
256.78989	2.1
293.44128	2.1
301.08066	1.8
459.22281	11.3
545.26044	29.6
546.26245	5.6
547.40186	2.5
669.31152	10.4
701.34631	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	701.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37570	1.3
59.01252	100.0
61.77644	1.3
64.62013	1.5
66.78323	1.6
67.62518	1.2
71.22433	3.1
71.22813	2.2
74.22845	1.2
75.68959	1.3
78.25383	1.5
78.95811	3.2
84.83513	1.6
91.39545	1.6
95.15861	1.6
121.02827	2.3
152.99521	1.6
156.93341	1.4
164.34767	1.4
210.12053	1.4
255.23199	7.5
279.23438	1.5
279.33142	1.5
295.22821	7.8
387.33829	1.5
436.11163	2.3
438.13281	5.2
451.13834	1.5
452.14859	1.8
481.15143	44.2
482.15390	8.3
495.16898	13.0
496.17227	2.7
497.18231	5.0
503.12845	1.5
525.14209	2.1
540.16797	10.2
554.17926	2.1
555.18884	72.1
556.19165	14.1
567.18463	2.3
569.20691	3.1
572.15570	21.9
573.15826	4.2
586.17310	6.6
641.22595	30.1
642.22742	5.4
701.24677	50.7
701.44086	2.0
702.25024	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	29.3
61.98684	40.9
64.77876	14.1
66.60284	15.2
67.87501	17.3
71.58014	20.2
85.44019	17.2
87.00708	18.9
95.58954	20.4
106.23019	16.8
111.00714	17.7
124.12929	16.6
147.66542	16.1
171.10190	100.0
201.48756	15.7
211.13364	29.3
223.13345	95.6
293.21097	27.9
311.22256	55.1
430.16183	16.9
435.95819	17.5
533.57361	16.3
701.34137	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69389	17.6
59.01273	20.2
61.98696	24.8
68.75655	18.5
78.95770	31.2
90.03847	19.0
91.02843	21.6
126.41187	22.3
137.16611	20.9
170.91089	22.2
171.10223	100.0
223.13377	74.8
246.80513	19.7
255.23280	22.5
311.22314	61.6
429.51373	22.4
701.33093	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	701.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63873	0.4
55.55075	0.4
59.01251	100.0
69.24806	0.4
70.64997	1.1
70.65352	0.6
80.05267	0.4
98.20532	0.5
100.25854	0.4
102.51342	0.5
150.32613	0.4
255.23251	1.0
295.22910	0.7
423.11188	0.6
437.12595	0.8
438.13388	4.1
439.13766	1.0
451.13904	1.0
452.14673	2.3
453.15430	0.7
466.13162	0.6
467.13193	0.5
470.12219	0.6
480.14212	0.9
481.15179	29.1
482.15543	6.7
495.16809	11.9
496.17221	2.4
497.18372	5.3
498.18823	1.0
514.14771	2.1
515.14954	0.8
523.16370	0.9
525.14081	0.9
539.15668	2.2
540.16467	8.3
541.16406	1.5
548.34076	0.5
553.17310	0.5
554.17999	2.5
555.18848	53.8
556.19092	12.4
567.17969	0.8
569.20581	0.5
572.15479	12.9
573.15967	3.0
586.17017	5.8
587.17389	1.3
609.20032	1.5
627.20898	1.5
628.21472	0.5
641.22552	23.2
642.22821	5.4
701.24670	46.1
702.24854	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	701.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69001	1.1
59.01253	22.1
67.59097	1.3
71.01257	6.5
73.02817	2.6
75.00749	1.6
78.95782	11.1
85.02823	6.0
85.86804	1.2
87.00758	1.5
89.02322	2.0
96.95885	6.8
96.96844	1.9
97.02831	1.9
99.00763	3.8
101.02322	3.4
106.06483	1.9
111.61463	1.3
112.81809	1.3
113.02364	4.4
120.08080	3.2
121.05261	2.3
122.06010	14.7
125.02387	3.6
134.06026	2.5
138.16835	1.4
152.99503	5.8
160.06328	4.3
161.04500	1.5
164.04713	1.7
171.25642	1.2
213.10286	34.7
225.10249	3.0
226.11122	3.5
239.11894	6.7
241.13420	22.0
242.13719	1.5
255.23276	9.9
267.15060	4.5
285.12463	100.0
286.12732	7.5
334.48074	1.4
335.46295	1.4
358.15610	3.0
372.17120	1.5
386.18854	2.1
387.19055	1.7
391.22568	3.6
430.17914	2.6
449.13107	3.2
469.39093	1.9
491.14151	1.7
509.25336	3.4
553.24554	60.3
554.25043	9.6
613.26715	6.6
701.33655	4.2
701.44366	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	701.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.8
59.01251	6.3
61.98701	1.4
63.61055	0.9
65.24750	0.9
71.01242	4.6
71.24941	0.8
71.59782	0.9
71.60246	1.1
72.99196	1.0
75.00719	2.3
78.95778	1.4
85.02834	4.3
87.00754	87.3
88.01066	1.2
89.02320	2.1
93.03336	4.1
95.01260	1.1
95.04881	1.0
96.95875	3.2
97.02849	1.0
99.00748	1.5
101.02354	2.2
105.15145	0.9
108.01970	1.1
109.02836	2.5
111.00779	1.5
113.02338	2.9
116.45828	0.9
119.04958	1.4
121.02856	5.6
122.03631	13.2
123.00737	2.0
123.04428	2.8
125.02325	12.2
133.02823	3.0
134.03622	1.1
135.04398	3.0
135.08012	0.9
136.01555	2.6
137.02345	6.4
146.03624	3.6
149.02342	19.8
149.05974	1.8
150.03136	94.0
151.00333	6.1
151.03912	7.5
161.02351	4.6
161.04485	1.0
163.03886	2.1
164.04716	5.5
165.01843	3.8
165.05489	100.0
166.02631	14.6
166.05794	2.9
167.03293	2.1
169.01329	3.2
175.02437	1.0
175.03912	1.1
177.01825	2.2
179.03520	1.5
179.07069	30.1
180.04225	9.0
180.07448	1.5
181.04996	20.3
191.03523	1.2
193.01355	1.4
195.06563	63.8
196.06932	2.5
205.05019	2.3
209.08174	1.8
209.11768	1.6
219.06537	5.2
225.07632	1.7
249.19057	0.8
267.06973	1.2
277.93903	0.9
301.03470	1.5
387.10681	3.8
387.14615	2.5
402.13098	2.1
403.13651	1.0
417.15475	18.9
418.16211	1.6
481.15097	2.6
504.16183	2.9
505.17282	3.8
539.28644	1.5
559.18121	2.7
565.21210	2.4
613.22778	9.7
614.22858	1.3
665.37640	4.4
701.24323	10.7
701.34698	1.9
702.24738	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.3
58.00477	0.8
59.01257	6.3
61.98714	0.8
69.03330	1.1
71.01252	5.4
71.07304	1.5
73.02816	1.1
76.45199	0.6
78.95789	1.7
83.01301	0.7
85.02825	1.0
87.00716	0.7
89.02318	5.3
97.06461	5.1
101.02328	4.7
111.08053	4.7
113.02329	2.0
116.76427	0.6
119.03385	1.4
123.08060	2.2
125.02322	1.0
125.05910	0.6
125.09617	28.4
126.09987	1.1
127.11173	1.7
143.10678	0.9
152.99571	0.8
153.09113	0.8
161.04468	1.9
169.08676	0.8
169.12253	1.3
171.10184	100.0
172.10553	4.0
181.12166	0.7
187.09686	19.2
188.10060	0.9
195.13765	0.9
197.11777	22.7
198.12183	0.9
199.13295	1.2
211.13367	4.9
235.01973	0.7
235.08214	4.0
253.09250	13.8
255.23360	1.3
263.20169	1.5
291.19675	11.8
291.44882	0.6
293.21344	3.2
309.20724	30.5
310.20850	1.8
405.17935	1.4
407.19159	1.8
423.18851	5.1
699.39465	23.3
700.39160	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	699.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66602	0.8
57.03331	1.5
59.01250	7.4
61.98701	0.9
70.10700	4.6
71.01240	3.9
73.02834	1.2
78.95769	1.4
83.01296	1.1
85.02809	1.2
89.02316	3.8
97.06454	4.1
101.02341	4.5
111.08067	4.4
113.02337	2.6
123.08068	2.8
125.02329	1.3
125.09621	31.8
127.11139	1.8
145.04916	1.3
161.04434	1.8
169.12273	1.9
171.10184	100.0
172.10555	5.4
187.08058	1.7
187.09680	22.9
195.13838	1.4
197.11783	25.2
199.13344	1.8
211.13338	4.1
227.12807	1.7
235.08186	3.9
236.22356	0.9
253.09282	13.2
263.20062	1.3
291.19650	12.8
292.20093	0.9
293.21136	3.5
309.20694	32.8
310.20996	2.9
389.98199	0.9
405.17517	1.9
407.19385	1.3
423.18835	5.0
428.42691	1.0
699.39490	30.1
700.39752	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.2
59.01258	5.3
66.03282	0.9
71.01252	3.9
71.24044	1.1
71.24377	1.7
77.39035	0.9
83.01255	1.3
85.02821	3.0
87.00755	100.0
88.01093	1.9
89.02329	1.9
92.31098	1.0
93.03342	3.5
95.05006	0.9
101.02333	1.3
107.01236	1.0
107.04934	1.3
109.02841	3.2
113.02348	1.4
117.25175	1.0
119.04906	1.4
121.02836	6.2
122.03640	13.0
123.00761	1.9
123.04440	2.8
125.02353	7.8
132.41930	1.0
133.02806	2.1
134.03644	1.0
135.04399	2.0
136.01564	1.4
137.02347	14.7
138.02927	2.0
139.03917	1.8
146.03624	3.0
149.02364	25.8
149.06076	1.5
150.03139	90.1
151.00246	7.3
151.03943	8.0
152.01028	1.5
152.04724	2.3
153.01807	1.8
161.02341	2.3
161.06047	1.5
163.03931	1.8
164.04695	8.6
165.01830	2.8
165.05489	82.5
166.02621	21.4
166.05830	3.4
167.03391	3.2
169.01370	2.7
175.03973	2.1
177.01930	2.0
177.05408	1.2
178.02600	1.5
179.03416	1.9
179.07059	28.4
180.04210	5.0
180.07408	1.9
181.05005	29.8
184.03677	2.5
187.03908	2.8
191.03372	1.7
193.04967	2.5
195.06567	36.7
196.06931	2.0
205.04976	6.8
206.05756	1.0
207.06517	1.4
211.08818	1.1
219.06578	3.9
220.07356	5.1
253.05099	1.1
271.06195	1.7
285.03961	2.1
289.07257	1.5
329.10184	1.4
336.23215	1.0
372.12061	1.2
387.10510	3.0
387.15167	5.2
395.09454	1.0
402.13123	4.2
403.14090	2.4
416.14624	1.3
417.10257	1.8
417.15573	24.5
418.15781	2.0
504.16367	4.3
505.16846	4.0
550.18658	1.8
559.18213	2.0
565.20813	30.4
566.21216	4.3
613.23004	15.3
614.23297	2.0
701.24323	14.4
701.34790	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	699.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.4
57.03314	0.4
58.00468	0.6
59.01252	3.4
61.98698	0.8
69.03326	0.5
71.01261	3.1
71.04871	0.3
71.58236	0.3
71.58708	0.4
73.02814	0.6
78.56825	0.3
78.95772	1.1
85.02822	0.9
87.00743	1.0
89.02308	1.8
94.76166	0.4
97.02834	1.2
97.06433	0.4
99.00793	0.5
101.02331	3.0
111.08053	3.7
112.24055	0.4
113.02342	1.8
119.03419	0.7
125.09626	1.9
127.11192	2.2
134.73500	0.3
153.09132	0.9
153.12766	0.4
161.04482	0.9
165.12788	0.8
169.12244	2.0
171.10187	100.0
172.10532	3.2
179.05515	0.7
181.12256	0.4
183.13773	0.5
185.90625	0.3
187.09619	0.5
192.71034	0.4
197.11772	19.4
198.12177	0.8
199.13329	1.4
209.11835	0.8
211.13330	3.6
223.13200	0.4
227.12804	1.0
235.08231	4.3
247.20650	0.6
249.15036	0.4
253.09268	10.9
254.09509	0.5
255.23305	0.8
263.20239	1.0
265.18176	0.8
273.18652	0.7
291.19675	14.4
292.19965	1.3
293.21353	1.0
309.20715	28.6
310.21048	2.3
407.19244	1.0
463.30554	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.8
57.03327	6.1
58.00492	1.0
59.01249	14.6
68.99673	0.7
69.03319	1.6
69.59241	3.6
71.01252	24.1
72.01601	0.6
72.99190	5.4
73.02814	4.4
75.00745	23.9
81.03333	0.5
82.10007	0.5
83.01252	3.3
84.02027	0.6
85.02823	30.1
86.03160	1.0
87.00743	7.7
87.04362	0.5
89.02322	3.6
93.03323	2.5
95.01250	4.0
96.95891	1.7
97.02824	1.2
98.20446	0.8
99.00751	7.8
101.02306	6.9
108.02087	0.7
109.02808	2.0
111.00734	1.9
112.01504	1.0
113.02332	24.6
114.02649	0.7
115.00249	2.6
117.01810	1.8
119.03362	0.9
119.04892	1.7
121.02895	0.8
123.00739	0.8
123.04381	1.1
124.01505	0.7
125.02333	8.1
129.01814	1.4
131.03438	0.6
134.03600	0.8
137.02310	1.8
145.02795	0.7
149.02319	0.7
150.03171	0.6
151.03867	0.8
157.01344	0.9
157.12285	1.1
161.02313	1.4
161.04482	0.8
161.06001	0.7
163.03880	1.5
165.01840	0.9
167.03384	1.0
169.01364	3.0
172.58272	0.5
175.02351	2.2
175.03796	0.9
177.01813	0.7
187.13336	1.1
197.09525	1.0
218.23343	0.6
249.05917	0.8
255.06657	0.6
267.06860	0.7
269.14014	0.5
301.03491	0.7
301.10779	0.9
361.29443	2.3
477.19113	1.2
484.63431	0.5
489.19064	1.7
519.20685	0.8
523.34894	1.0
566.40656	0.6
681.37659	0.7
699.37970	100.0
700.26355	1.3
700.38391	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76205	0.7
56.65366	0.8
56.95192	0.7
59.01254	19.8
63.96724	0.7
65.67863	0.7
66.59152	0.6
71.01248	3.4
71.05957	0.9
71.06322	1.5
75.00767	0.9
85.02835	1.4
87.00768	1.1
89.02303	2.6
101.02312	3.1
109.87485	0.7
113.02325	1.6
119.03426	0.7
125.02341	0.8
161.04488	0.8
165.09059	1.3
167.10577	0.9
171.10173	5.0
181.79405	0.8
183.13844	6.0
193.12248	1.5
197.11758	0.8
209.08264	4.0
209.11777	97.7
210.12054	4.0
211.13347	100.0
212.13702	5.6
224.56995	0.8
235.08153	6.1
253.09309	5.8
291.19592	1.5
429.21243	1.9
445.20737	2.2
447.22375	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	699.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.3
57.03318	2.7
59.01252	100.0
60.01572	1.1
69.03300	0.9
71.01260	15.1
71.59705	1.4
72.99173	2.3
73.02818	4.3
75.00749	8.2
83.01260	2.5
85.02827	15.0
87.00742	2.9
89.02325	3.0
93.03353	1.1
95.01246	2.0
96.31015	0.8
96.95918	1.2
97.02844	1.0
99.00771	4.5
101.02332	11.1
113.02345	11.5
114.02706	1.2
115.00218	1.0
119.03401	1.0
123.00760	0.9
123.04380	0.8
125.02332	4.6
137.02393	1.9
137.16422	0.7
143.03409	0.9
159.02869	1.6
161.04454	2.9
169.01410	0.9
217.76965	0.8
263.14963	14.7
264.15240	0.9
305.15970	4.7
529.11047	0.9
529.78406	0.8
698.37085	2.2
699.26318	1.6
699.38031	23.6
700.38202	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	699.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51387	0.7
54.03388	0.5
55.01752	1.6
57.03323	4.6
58.00480	0.6
59.01253	36.0
59.62064	0.5
60.01584	0.6
61.98685	0.6
67.01752	1.0
68.99691	1.1
69.03333	1.1
69.48964	3.7
69.49388	1.4
71.01255	27.1
72.46999	0.5
72.99172	4.7
73.02820	4.6
73.09769	0.5
75.00748	31.5
78.95763	0.7
83.01268	4.1
85.02827	32.5
86.03172	1.0
87.00760	8.1
89.02326	6.5
90.05933	0.6
95.01257	4.2
96.95878	0.8
97.02829	1.7
98.20586	1.0
99.00768	9.5
101.02322	7.8
103.00246	1.1
107.11703	0.6
108.02076	0.7
109.02853	1.1
111.00754	1.2
111.24519	0.6
113.02336	29.9
114.02606	0.7
115.00260	3.3
116.92715	0.8
117.01826	1.7
119.03373	2.5
123.00761	0.6
125.02376	3.6
129.01793	0.7
131.03427	1.1
135.04408	1.0
137.02303	1.3
151.00279	0.7
151.03923	1.2
157.01343	1.1
161.02275	0.7
165.09070	0.6
169.01302	1.8
173.04460	2.2
175.02463	4.6
177.01849	1.5
191.05551	0.7
209.08261	1.0
215.05553	0.7
224.41730	0.6
245.19145	0.6
289.07248	0.7
393.41873	0.7
503.82239	0.6
604.21246	0.6
643.88477	0.7
655.30554	3.6
699.28674	100.0
700.29077	18.9
700.41266	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	7.3
57.73567	1.2
58.00477	1.5
59.01255	42.6
59.15098	1.2
61.98714	2.6
66.91210	1.2
69.03344	1.4
71.01255	29.2
71.56403	1.7
72.99196	8.1
73.02818	4.8
74.07634	1.2
75.00752	35.3
79.65601	1.3
83.01263	3.7
85.02827	32.0
87.00742	10.0
88.98675	1.6
89.02321	8.8
89.80210	1.3
95.01284	4.0
96.95910	3.1
97.02843	1.7
99.00751	11.8
101.02321	7.6
109.02818	2.0
111.00742	2.1
113.02335	33.6
115.00231	3.0
117.01871	2.2
119.04972	2.1
121.02849	2.0
121.07257	1.2
125.02361	14.3
135.04367	2.2
137.02348	4.4
139.00253	1.7
141.09125	1.4
147.04431	1.3
149.02374	2.0
150.06795	2.0
151.00389	1.5
151.03900	1.5
152.99463	1.6
157.01329	1.9
157.07903	1.2
161.02341	3.2
161.47623	1.1
165.01808	1.8
169.01317	4.0
175.02382	3.4
177.01729	1.9
179.05605	1.6
187.03113	1.4
192.48956	1.3
209.08150	2.2
209.11772	2.6
494.35791	1.5
495.36655	3.1
655.29773	100.0
656.30048	19.3
699.27661	9.4
700.29694	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07918	1.4
55.01746	1.8
57.03312	4.7
59.01254	66.8
60.98618	1.2
69.03291	1.5
69.50233	1.2
69.50552	12.3
71.01260	34.3
72.99184	8.1
73.02814	3.0
74.60766	1.3
75.00751	15.4
83.01235	2.0
85.02338	2.7
85.02827	33.9
87.00748	8.2
89.02329	13.8
89.68139	1.2
95.01273	7.4
96.95895	2.7
99.00756	9.6
99.04377	7.0
101.02295	7.2
103.00260	2.3
109.02782	2.0
113.01622	2.0
113.02338	24.7
115.00250	3.8
117.01797	2.0
119.03365	1.7
125.02331	6.1
129.01811	4.1
129.02748	1.4
131.03340	1.7
131.07034	6.3
137.02460	1.5
149.02332	2.1
150.03072	1.5
163.03909	1.8
165.05382	2.0
165.12679	1.5
167.72934	1.3
169.01334	3.6
173.08083	2.6
175.02391	1.8
189.12776	2.8
190.25587	1.5
191.01959	8.7
191.03377	1.6
193.01308	2.3
207.13887	5.5
209.02913	1.5
209.11786	11.4
231.04874	1.7
238.43990	1.5
249.06129	14.5
251.12822	2.1
262.44382	1.4
267.07156	12.3
269.13959	6.0
309.08334	5.8
343.17636	1.7
501.19916	2.8
507.15201	3.9
519.20850	39.5
519.28735	1.9
575.40253	1.7
681.26465	2.8
699.27209	100.0
700.27686	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	699.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	12.6
59.01249	10.3
61.82308	1.3
61.98701	1.0
65.94389	1.0
66.74211	0.9
71.01254	7.1
72.99192	1.8
73.02816	1.6
75.00738	3.4
78.95778	3.1
81.03335	2.8
83.01267	5.1
84.15119	1.1
85.02850	7.2
85.23171	1.1
87.00766	2.4
88.98667	2.1
89.02335	2.8
91.83665	1.2
93.03326	1.7
95.01263	1.8
95.04930	2.0
96.95875	2.3
97.02811	1.7
99.00783	2.6
101.02340	2.8
108.02036	7.6
109.02882	10.2
110.59888	1.0
111.00767	2.4
111.04449	1.1
113.02322	6.0
116.54853	1.2
117.03326	1.5
119.04917	1.5
121.02847	2.4
123.00842	1.9
123.04408	3.8
124.01572	1.5
125.02345	70.3
126.02641	1.5
129.01826	1.8
133.02888	2.0
135.04404	3.5
137.02350	32.3
139.03889	1.9
143.04950	2.9
145.02863	11.5
146.03630	1.8
147.04395	1.4
149.02344	4.2
150.03072	2.1
151.03918	3.0
152.01073	9.0
152.99451	1.3
153.01495	2.4
159.04434	11.6
161.02379	2.8
161.04742	1.2
161.05995	6.5
163.00233	1.3
163.03941	1.3
164.01041	2.3
165.00652	1.0
165.01826	5.7
165.05394	1.7
167.03464	6.2
167.04649	1.2
169.01357	5.2
171.00525	2.4
171.04430	4.0
174.01628	2.8
174.03110	2.4
175.02571	1.5
175.03888	5.4
177.01813	3.0
179.03392	3.1
181.05061	1.8
183.04422	4.6
185.05965	3.8
187.03851	6.3
188.04680	3.4
189.05482	3.5
195.06572	1.5
198.03194	2.6
199.03954	20.6
200.04382	1.7
201.01724	1.8
201.05548	3.8
203.03401	2.6
203.07088	4.6
205.04988	2.2
209.06041	1.8
209.11823	2.8
211.03963	2.9
214.02719	1.6
215.03479	14.2
216.04124	2.1
216.20764	1.0
217.04951	7.2
225.05527	2.0
227.03464	100.0
227.07123	4.6
228.03905	5.3
229.05011	3.7
230.02126	2.6
239.03444	5.4
240.03899	1.7
241.04942	1.6
243.02943	2.6
245.04564	7.7
245.08154	3.3
253.05083	14.8
254.05579	1.9
255.06525	1.7
257.04626	5.4
267.06955	1.5
269.04544	1.5
269.07742	1.1
271.02576	6.2
271.06119	39.9
272.06491	2.7
279.06525	1.4
281.04565	1.9
289.04004	1.5
289.07196	23.2
293.04590	1.1
297.07541	1.5
299.05588	1.4
301.03455	2.2
311.09341	2.1
321.07684	2.0
323.05530	1.2
331.08548	5.0
337.07220	1.5
339.08838	1.5
341.06757	1.4
347.05463	2.2
355.08194	1.8
365.06668	9.4
366.07062	1.7
383.07727	28.8
384.07883	2.2
409.05743	5.3
427.06754	21.6
428.07077	1.9
443.44263	1.2
447.11255	1.4
448.11490	1.9
449.11945	1.7
453.54852	1.2
495.16379	1.5
549.10596	1.6
551.13861	2.7
698.23962	3.2
698.36560	5.0
699.24872	4.1
699.37036	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	697.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01595	0.9
60.30221	0.2
69.41800	0.6
69.42221	1.6
71.01247	0.3
82.95300	0.3
85.02818	0.3
101.02316	0.3
107.75528	0.2
112.56056	0.2
116.92809	0.2
119.04932	0.5
121.02845	2.6
125.02377	0.6
134.03738	0.3
151.07594	0.3
165.01924	0.4
169.01324	0.3
171.10185	2.8
182.09593	0.2
191.03462	0.9
209.04396	1.1
209.11761	0.3
213.73262	0.2
216.44308	0.2
289.18268	1.2
330.51224	0.2
350.98563	0.2
593.13287	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.4
57.03318	0.6
58.00470	1.0
59.01244	4.7
59.14933	0.3
65.02465	0.3
71.01250	4.5
71.59294	0.3
72.99187	0.6
73.02821	1.0
81.03362	0.3
83.01260	0.7
83.04866	0.3
85.02354	0.3
85.02831	1.3
87.00735	0.9
89.02321	3.3
99.00776	0.4
101.02313	4.2
113.02332	2.5
116.67449	0.3
119.03384	1.0
125.02329	0.4
125.09603	3.7
127.11197	5.1
133.04994	0.4
137.09616	1.0
139.11174	0.6
143.03365	0.5
145.04979	0.5
147.93448	0.3
155.10681	1.5
157.12274	0.5
161.04439	2.0
165.09093	2.4
171.10138	2.2
179.05583	0.4
183.10185	0.9
199.09717	1.7
201.11252	100.0
202.11604	4.4
209.11736	0.5
233.22501	0.4
235.08171	6.7
253.09258	16.6
254.09761	0.5
255.57803	0.4
277.21710	71.5
278.22049	5.1
311.22232	0.4
419.19592	0.6
437.20337	1.0
443.31512	2.5
461.32657	1.6
608.75281	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3647
Annotation	Hexamollamide
Peak:m/z	Relative Intensity
57.03286	0.7
59.01255	3.1
69.03317	0.9
71.54458	1.2
73.65230	0.6
78.95781	2.8
81.03325	5.6
81.40431	0.6
83.01263	1.4
96.96857	0.7
97.02792	0.8
99.08026	1.2
123.08010	1.8
124.01557	0.7
125.02380	4.2
125.05952	4.9
136.05220	0.8
140.10071	0.7
146.86018	0.6
147.08104	0.7
149.02412	0.8
151.00272	1.0
152.99452	1.8
165.09126	28.5
166.09488	1.2
171.10179	1.3
183.13828	2.3
184.17093	0.6
191.07008	1.3
209.08138	100.0
210.08459	4.0
215.07043	0.8
223.09860	1.1
233.08142	18.1
234.08453	1.2
251.09229	4.5
263.09213	1.1
358.32947	0.7
518.78650	0.7
695.36493	6.9
696.36932	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01603	1.0
63.53402	0.4
69.20933	0.4
70.11525	2.3
77.99498	0.4
78.95781	13.1
106.14229	0.5
149.00034	0.5
205.15941	1.1
238.46921	0.5
285.12595	0.6
447.13531	0.6
572.88135	0.5
653.29999	0.7
695.31146	44.4
696.31476	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	695.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	4.1
58.00466	5.2
59.01254	93.3
60.01594	5.4
65.71532	2.1
69.03331	2.6
69.45150	21.2
71.01258	69.7
72.99184	7.4
73.02816	2.8
75.00782	2.2
81.03344	3.8
81.36288	2.6
83.01289	5.5
85.02824	19.5
86.03150	3.2
87.00757	8.7
89.02325	96.0
89.06835	2.7
90.02651	2.9
91.02763	3.1
95.01274	6.3
95.04939	6.2
97.02824	4.6
101.02329	33.0
101.05972	4.9
102.02651	3.6
103.69428	2.2
109.02821	3.0
113.02339	36.5
119.03384	29.0
120.03677	2.3
121.02879	2.9
121.03867	2.1
123.04451	3.7
125.02351	21.5
125.05986	6.4
127.07545	49.4
127.30329	2.3
128.07907	4.0
131.03412	5.0
135.04471	3.1
137.02379	3.0
143.03415	10.7
149.02390	2.5
149.04430	4.0
161.04398	11.3
165.09123	5.2
167.03458	16.9
169.01416	4.4
179.05545	42.3
179.10687	8.8
180.05867	5.6
181.06076	3.9
193.01393	4.6
207.10249	3.9
209.08119	11.3
221.08122	5.7
235.09755	2.6
251.09233	84.0
252.09633	5.0
255.02899	2.6
275.09384	10.8
281.10315	9.2
293.10345	2.9
305.10678	3.0
307.13983	66.2
308.14417	12.2
309.14551	8.9
327.54727	2.5
335.12271	3.5
352.33749	2.5
413.14520	100.0
414.15027	11.4
435.80325	2.5
443.15527	12.3
533.18683	19.5
672.36108	3.2
695.24384	3.5
696.21484	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	695.35
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	2.2
57.03333	5.2
58.00459	0.8
58.38482	0.7
58.38777	0.6
59.01255	15.6
62.37009	0.7
63.55667	0.6
64.52931	0.6
67.01752	0.7
68.99677	0.8
69.03314	0.7
70.70234	0.6
71.01258	24.1
71.60217	0.7
71.60600	1.0
72.99184	5.9
73.02825	4.4
74.03894	0.6
75.00754	25.2
79.06805	0.6
83.01253	3.6
84.02072	1.0
85.02831	32.6
87.00758	8.5
89.02323	4.5
94.02881	1.0
95.01279	3.7
96.04452	0.6
96.95898	1.0
97.02837	1.1
99.00771	8.3
101.02324	6.6
103.00261	1.2
107.65291	0.7
108.02007	1.3
108.04425	0.7
109.02835	0.7
111.00764	1.8
112.01490	0.9
113.02341	25.6
115.00272	2.6
117.01862	1.4
119.03365	1.3
119.04897	1.5
121.02877	1.3
122.06026	1.0
123.04410	1.0
125.02365	3.4
129.01845	2.0
131.03394	0.8
134.03635	0.8
135.04416	1.8
137.02342	2.8
138.05519	0.8
139.03944	0.8
141.01772	0.8
145.08612	1.4
149.00810	2.2
150.03104	1.4
150.05417	0.7
151.00266	1.9
151.03847	0.7
152.01028	0.8
157.01350	1.5
163.03954	1.1
164.00986	0.8
165.01842	1.2
166.02647	6.3
167.03334	0.9
169.01363	2.1
175.02402	2.6
175.03864	1.5
177.01913	1.1
179.03432	0.9
181.05003	7.2
188.07109	0.7
191.03496	1.1
203.05769	1.3
205.04987	1.0
220.55354	0.7
227.16628	1.2
229.09773	1.2
237.10153	1.1
240.61855	0.8
243.11362	0.8
245.09200	0.8
257.09174	0.8
259.10849	1.4
264.09079	1.3
267.07303	0.8
271.10690	1.2
275.10312	1.7
277.09869	0.9
279.11203	1.0
285.03955	1.4
290.12589	0.9
291.11530	0.7
292.08594	0.8
301.11191	0.7
307.10846	2.2
308.11404	0.8
319.13156	3.0
334.11823	3.3
350.09085	1.1
351.09964	2.1
352.10254	0.7
387.10593	1.0
402.13046	1.1
417.15662	6.7
418.16373	1.0
430.17892	1.9
446.17279	2.5
448.18707	1.1
458.17181	0.7
491.16724	0.8
492.17938	0.7
506.18939	0.9
522.18219	1.2
538.21857	3.8
579.25555	0.7
587.25232	1.7
605.22296	1.0
620.88721	0.7
631.24255	2.2
635.23175	3.1
645.25177	1.3
662.25562	2.0
663.26306	3.0
695.35034	100.0
696.35254	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	695.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	3.5
59.01254	53.9
66.59198	1.8
69.41106	2.4
70.17361	3.9
70.17771	6.5
71.01253	18.5
72.02388	2.3
72.99173	3.8
73.02809	9.3
75.00747	4.9
83.01255	3.4
85.02819	10.4
85.97227	1.8
87.00742	3.1
89.02303	7.1
93.03330	2.4
93.47179	2.1
94.02872	32.6
94.06508	2.8
96.95914	3.6
98.19917	3.2
99.00745	2.9
101.02323	10.1
106.06455	3.2
108.04435	5.0
109.02835	2.9
110.06017	6.0
113.02331	12.0
121.02843	2.2
122.06001	17.9
124.03928	6.2
125.02307	10.2
134.06035	4.7
135.04402	2.3
136.03893	7.4
137.40086	2.0
138.05530	11.3
144.04427	2.0
147.05496	2.3
149.00844	2.0
149.04497	2.5
150.05504	5.5
161.04570	4.8
162.05557	2.3
168.00592	2.6
168.06509	2.4
169.01302	6.3
174.05533	6.6
175.04994	2.9
188.06993	3.2
201.10274	14.2
203.05725	4.3
203.11813	2.8
213.10245	7.9
215.11824	5.4
223.08630	2.9
225.10120	2.2
227.11832	2.7
229.09811	13.7
229.13396	9.8
237.10338	3.8
239.11934	16.1
241.09848	3.5
243.11183	2.2
245.12918	2.7
251.11839	5.8
255.11292	7.9
257.13019	4.9
259.11023	2.9
263.08292	2.7
263.11716	3.3
264.08957	7.6
265.09885	6.4
267.07214	2.1
267.11362	6.5
273.12393	5.9
277.09814	3.3
278.10425	2.5
279.08646	2.1
279.11368	15.2
280.12057	3.2
281.12683	2.6
283.10754	6.0
289.12076	3.4
291.07968	4.6
291.11380	13.5
292.08603	15.0
292.11612	3.2
293.09189	7.5
301.11926	30.8
306.10065	6.5
307.10843	32.6
308.11533	12.2
309.12192	2.9
319.12997	79.2
320.13382	5.6
321.12418	2.7
327.13538	5.8
335.10663	2.9
340.14557	2.9
343.13010	5.5
350.09018	13.5
351.09906	38.7
352.10406	4.5
358.11771	2.3
360.13446	2.8
365.11456	3.3
372.13486	5.7
379.18436	2.2
383.12653	2.8
386.15106	10.0
387.15701	3.7
388.16595	3.8
400.16760	3.6
403.14630	2.4
404.15900	10.9
405.16794	4.2
412.16785	2.6
414.14584	5.2
416.16357	2.3
429.16782	4.9
430.17862	4.8
432.15305	5.7
433.16296	2.9
437.15649	5.6
446.16916	6.1
447.17709	5.1
448.18335	2.4
474.16647	3.7
491.16605	6.4
492.17535	8.0
506.19250	23.7
509.21622	3.1
523.19647	2.5
527.23090	14.8
538.22015	51.8
539.22070	5.2
545.24030	19.3
546.24445	2.4
551.22571	4.3
557.24750	3.1
569.23932	11.4
570.24640	3.4
571.21826	10.0
587.24969	47.5
588.25763	6.9
590.23749	4.6
603.24707	12.6
613.23059	8.6
619.27435	3.3
631.24146	56.4
632.24579	10.4
635.27240	4.7
645.25653	13.4
646.25562	3.5
651.28900	2.4
663.26715	100.0
664.26996	13.6
677.27167	3.0
695.28687	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	695.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29749	0.6
53.44746	0.7
55.01745	0.8
57.03312	2.3
58.85282	0.7
59.01257	21.6
60.74697	0.7
64.51937	0.7
64.86617	0.7
68.99689	0.7
69.03333	1.5
69.46531	6.7
71.01257	12.4
72.46832	0.6
72.99171	3.0
73.02811	2.5
75.00754	9.6
83.01273	2.0
84.02036	1.3
85.02823	12.2
87.00758	4.1
89.02318	2.5
93.03365	1.7
95.01263	2.9
96.95885	0.7
97.02823	1.7
97.72279	0.7
98.19825	1.6
99.00771	3.9
101.02324	3.5
103.00243	1.4
107.04923	0.9
108.02061	1.3
109.02869	4.8
110.21142	0.7
111.00743	2.6
113.02344	10.1
119.04871	0.8
121.02868	1.5
123.00806	4.5
124.01523	1.8
125.02347	5.0
129.01831	0.9
133.02817	0.7
133.53346	0.7
135.04376	2.0
136.01559	0.8
137.02362	14.6
138.03111	2.6
139.00281	2.2
139.03903	3.2
145.02847	1.3
147.04385	0.9
149.00842	2.0
149.02348	2.3
150.03043	1.2
151.00282	28.2
151.03877	4.2
152.01115	3.5
152.04710	2.1
153.01859	1.1
154.02666	0.8
159.04430	1.7
160.05231	0.8
161.02347	1.4
161.04491	0.7
162.03169	1.0
163.03900	2.5
164.04704	1.6
165.01860	2.7
166.02641	80.0
167.03371	5.6
173.02370	2.4
175.02440	1.2
175.03914	7.2
176.00992	0.8
177.01845	5.0
177.05473	2.5
178.02605	0.9
179.03453	1.8
180.04210	0.7
181.04996	93.5
182.05342	3.7
184.03732	1.2
187.03969	3.6
188.04730	0.7
190.02638	2.7
190.06288	2.9
191.03433	7.3
192.04234	2.0
193.04979	2.4
195.02985	0.9
203.03442	2.6
203.07120	0.8
204.04214	1.2
205.03284	1.3
205.05028	12.3
205.08618	1.7
206.05812	5.6
207.06577	2.4
217.04991	2.1
219.06607	3.2
220.07375	5.7
221.04677	1.2
221.08115	6.7
222.19565	0.8
233.08177	1.8
235.06131	0.9
235.09924	0.8
243.59535	0.8
267.07153	1.1
271.06070	0.8
309.04086	1.0
313.03281	1.1
339.08740	0.8
341.10281	1.0
357.09888	1.8
359.11285	2.2
369.09824	2.1
371.11362	1.0
372.12231	2.2
384.12079	1.3
387.10480	17.9
387.14780	5.9
388.11230	2.2
398.13724	1.2
399.14597	9.6
400.15179	1.2
402.13263	11.3
403.13968	1.7
404.47485	0.8
405.39563	0.7
417.15564	100.0
418.15903	9.4
459.16501	0.8
491.19095	1.5
519.17151	1.0
591.16278	0.7
605.22278	9.0
606.22375	1.3
617.22430	5.0
618.23383	0.9
623.24158	1.3
635.23450	27.2
636.23975	5.2
653.24475	13.0
654.25751	1.1
665.24609	2.1
677.24353	2.0
695.25049	4.9
695.35278	30.5
696.24628	1.5
696.35590	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	695.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42353	0.5
59.01247	7.6
61.09503	0.5
69.03341	0.8
69.32622	5.4
71.01254	5.5
71.04887	0.8
72.99193	1.4
75.00779	0.6
75.08607	0.5
76.49182	0.5
81.03329	5.5
83.01260	3.0
84.99806	0.5
85.02831	1.9
87.00742	1.0
89.02324	5.6
90.32988	0.5
95.01248	1.5
95.04896	5.9
96.84660	0.5
96.95876	0.5
97.02836	4.1
99.04376	1.6
99.08092	1.4
101.02334	3.0
101.05959	2.6
108.02054	0.6
112.22152	0.5
113.02326	3.2
119.03407	2.8
121.02844	1.0
122.03698	0.5
123.00771	0.7
123.04425	3.5
123.08076	2.3
125.02348	20.7
125.05965	5.9
126.02657	0.9
127.07552	3.8
135.04500	1.2
137.02312	3.0
137.09634	0.8
139.03915	1.0
141.09108	1.1
144.16095	0.6
149.02348	2.1
151.03908	0.6
155.03415	1.4
161.02388	0.6
163.03897	1.2
164.08327	0.9
165.09111	6.1
166.02594	1.9
167.03409	17.8
167.07056	1.8
169.01329	1.0
177.01892	0.7
179.05611	2.5
179.10684	8.1
180.11043	0.6
180.95903	0.6
181.08591	1.3
183.10167	1.8
189.09138	1.0
191.03450	2.3
197.04477	1.1
203.07199	0.7
205.08658	1.3
207.10231	3.5
209.08153	10.5
215.82689	0.6
219.10159	0.8
221.08167	5.6
222.08896	0.9
223.09712	2.5
229.08629	0.7
233.08154	4.0
235.09727	0.9
245.08217	0.6
247.09792	2.7
251.09238	84.8
252.09599	6.3
263.09271	1.9
267.07242	0.7
275.09232	12.7
276.09555	1.1
281.10330	10.0
283.02682	0.8
293.10434	3.3
305.10272	1.6
307.14011	4.2
327.48703	0.7
371.13629	1.1
413.14517	100.0
414.14896	11.2
443.15549	11.5
444.15884	0.8
515.17572	2.1
533.18689	19.6
534.18903	2.8
695.24243	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	695.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.6
56.26382	1.2
57.03337	7.4
59.01253	27.3
62.84112	1.2
68.99691	1.3
69.03340	1.7
69.79429	4.9
69.79841	3.0
71.00896	2.4
71.01259	34.2
72.99192	17.0
73.02803	5.4
75.00754	52.0
82.69761	1.2
83.01270	4.3
85.02825	38.6
87.00759	13.4
87.43531	1.2
87.82270	1.2
89.02312	3.2
95.01264	4.1
97.02809	2.5
98.20470	1.4
99.00758	23.1
101.02332	2.8
103.00230	2.4
107.04910	4.1
109.02808	1.8
111.00758	4.8
113.02335	38.1
115.00250	5.1
117.01834	4.4
121.02829	3.3
122.16127	1.4
124.01511	3.5
125.02335	18.8
126.02631	1.2
129.01845	3.0
135.04404	5.7
139.00252	2.6
143.03371	2.4
146.48781	1.2
148.01567	1.9
149.01112	1.8
149.02353	12.4
149.05927	1.7
150.03149	7.0
157.01318	8.0
159.04234	1.4
161.02405	1.8
161.04443	1.5
163.03928	9.9
164.04716	7.7
171.02873	6.0
173.04500	1.4
175.02397	8.7
178.48238	1.5
209.11752	2.0
223.13278	2.0
253.05051	5.5
254.05841	3.7
255.03058	1.5
269.08185	48.1
270.05316	16.7
270.08469	3.7
271.05756	2.1
285.07675	45.8
286.08356	10.0
300.10065	29.1
301.10794	26.5
302.11029	1.8
315.12405	72.1
316.12744	6.0
445.13425	4.0
463.15924	1.7
505.17209	8.0
575.11932	2.2
591.20801	7.9
677.21057	5.0
695.21954	100.0
695.33771	4.6
696.22174	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	695.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	3.5
69.03342	1.7
69.48877	3.6
69.49284	2.2
71.01273	3.0
73.02824	2.1
75.00750	1.6
77.45043	0.9
78.95786	1.1
79.01762	0.8
82.36487	0.7
83.01274	1.0
85.02828	1.2
89.02319	1.0
93.03336	1.4
95.01283	1.5
97.02790	0.9
99.00769	2.1
101.02329	2.5
105.91811	0.9
107.01270	34.3
108.02100	3.9
109.02839	1.9
113.02332	2.4
123.00792	5.6
124.01578	1.1
125.02339	73.6
126.02736	1.6
141.01849	1.0
148.05200	17.7
149.05826	1.1
151.00296	1.9
152.01067	7.6
161.04489	1.0
163.07567	10.5
165.01616	0.8
168.00587	1.7
169.01344	100.0
170.01700	2.4
176.56088	0.8
185.06114	0.9
193.05019	0.9
196.71295	0.9
207.06625	0.7
209.40520	0.7
241.08722	1.6
429.10312	1.5
447.11172	1.0
487.11002	1.2
494.30115	0.9
503.37659	0.9
571.61084	0.8
609.18488	3.6
610.18738	0.8
639.73590	0.9
651.19312	62.7
652.19482	11.8
695.25500	8.4
695.36090	1.7
696.26172	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63602	0.6
55.01756	1.0
57.03323	3.8
59.01254	20.8
67.01772	1.5
68.84548	0.7
68.99689	0.9
69.03315	1.4
71.01260	24.6
71.04908	0.9
72.99185	11.5
73.02824	4.4
75.00755	38.2
83.01265	3.1
83.79687	0.7
85.02830	25.9
85.03355	1.3
87.00758	12.9
89.02322	2.9
95.01286	5.7
97.02810	1.6
99.00767	18.4
101.02338	4.3
103.00280	1.6
108.02078	0.9
109.02836	0.8
111.00758	2.6
113.02339	30.6
115.00262	5.2
116.72954	0.7
117.01811	2.9
119.04945	1.1
121.02854	4.7
123.00751	2.8
123.04430	0.9
124.01582	4.7
125.02348	20.1
126.02652	1.1
129.01830	2.8
134.03651	0.7
135.04427	7.8
137.02359	1.3
139.00262	2.6
143.03453	1.2
145.02835	1.3
147.04422	0.8
148.01550	2.5
149.02356	11.2
149.06041	1.1
150.03114	3.8
151.03885	0.8
157.01350	9.4
161.02312	0.9
161.04512	1.5
161.05954	1.9
163.03926	11.8
164.03418	1.0
164.04701	10.0
169.01300	1.5
171.02934	1.8
171.10199	1.0
173.04472	0.9
175.02409	6.6
195.06583	1.2
209.05989	0.9
214.06302	0.8
217.03593	1.0
225.05542	2.0
226.06290	1.3
229.08775	1.3
238.06406	1.5
242.05885	1.1
252.04285	0.8
253.05057	5.3
254.05711	4.3
255.03046	1.7
255.06584	1.2
268.07465	1.4
269.08200	58.2
270.05392	21.2
270.08478	2.7
271.05759	2.2
285.07712	57.2
286.08301	7.0
300.10031	33.6
301.10760	13.2
302.11343	1.3
315.12408	100.0
316.12738	7.6
319.06790	1.1
361.07828	1.1
379.08533	4.0
438.43683	0.7
447.23059	0.8
573.20032	1.7
591.21185	3.4
635.20276	1.4
653.21222	0.9
677.20917	4.5
695.22052	89.9
695.34271	6.9
696.22406	14.4
697.67926	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.4
62.90114	0.8
63.02307	1.1
67.00823	0.7
69.27099	9.4
81.03345	1.1
83.01270	1.3
85.02848	1.7
89.02319	0.9
93.03366	1.9
95.04908	1.4
97.02799	1.5
107.01290	1.1
108.56822	0.7
109.02805	2.3
113.02347	1.2
117.03333	1.8
123.04463	2.0
125.02322	7.7
127.32569	0.8
132.56837	0.7
137.02342	1.8
140.07120	1.0
144.04417	1.5
146.06033	1.7
151.00307	3.4
151.03934	1.1
159.04413	1.1
165.01878	1.0
167.03458	4.5
167.04704	0.9
169.01384	1.8
171.04465	0.8
178.99821	0.9
179.03413	1.0
183.04413	4.2
185.06030	1.2
187.03969	2.0
190.05078	2.2
203.07198	1.2
204.47353	0.8
209.08134	2.2
211.03947	3.5
221.08258	1.0
223.09564	1.0
227.03470	15.8
228.03754	1.1
229.05081	1.2
243.06537	0.9
245.08357	0.8
251.09277	15.2
255.02983	67.0
256.03430	5.2
267.11432	1.9
269.04483	1.5
275.09396	2.7
281.10193	2.2
283.02481	98.6
284.03137	26.1
285.04050	100.0
286.04440	7.9
289.07214	5.1
297.04028	3.0
299.05298	1.0
327.05197	4.2
329.11612	1.5
331.13043	0.9
380.56671	1.0
413.14514	15.3
443.15460	2.3
446.08514	17.7
447.03244	1.5
447.09265	19.7
448.09784	1.7
489.10406	50.9
490.10806	6.4
531.11542	6.1
533.18811	3.6
591.24634	1.2
633.25787	2.2
651.15680	49.2
652.16229	8.2
695.25409	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.326
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39959	3.3
59.01241	19.4
61.98701	7.7
71.01254	9.0
71.16511	3.2
78.95782	7.1
85.65881	3.5
89.02326	5.3
92.58989	3.0
101.02311	6.0
108.11496	3.5
113.02292	6.9
118.53975	3.6
125.02305	4.5
126.35278	3.1
152.99516	4.9
171.10147	17.7
209.11771	45.4
211.13335	100.0
212.13693	7.4
227.12857	11.9
235.08066	4.3
253.09119	6.4
295.22852	15.6
431.20651	3.2
447.22003	9.7
651.39185	6.2
693.33826	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	693.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	2.0
57.03314	2.9
58.00479	3.6
59.01253	93.8
66.79336	1.7
71.01258	59.0
71.23403	1.9
72.99187	3.6
85.02821	9.2
87.00745	4.8
87.78690	1.7
89.02319	96.9
95.01257	4.4
101.02327	32.1
113.02328	28.4
119.03408	42.2
127.07548	45.7
131.03452	5.3
140.68098	1.7
143.03403	14.4
149.04427	4.2
150.97110	2.1
161.04456	16.2
179.05542	59.0
244.21500	2.0
307.13977	100.0
308.14240	6.8
341.06702	2.0
708.58698	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	694.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
68.68874	1.3
71.07982	1.4
71.08297	2.9
71.72063	1.6
81.03348	2.8
89.45243	1.5
101.05222	1.6
114.15011	1.3
123.08039	2.0
125.02364	2.8
125.05952	3.5
138.62639	1.5
144.54218	1.4
152.55093	1.3
165.09122	26.3
186.12651	1.6
191.04024	1.7
193.08714	2.2
209.08142	79.8
210.08478	4.1
211.56517	1.5
221.44501	1.4
233.08145	21.3
234.08423	1.8
237.02364	1.5
251.09177	5.3
263.09180	2.5
631.34827	28.2
632.35193	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	693.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52960	2.1
59.01244	7.2
71.01250	5.6
71.43690	2.5
75.00766	3.1
81.78710	2.3
85.02846	9.1
87.00790	2.7
108.04472	4.6
113.02330	4.0
122.06021	13.5
125.02323	9.8
134.06007	19.7
136.07568	5.6
138.05481	4.1
139.06302	3.3
140.07083	18.9
146.06009	2.6
149.04706	4.5
150.05528	4.6
152.07098	4.6
152.99574	2.7
161.04787	4.9
162.05528	18.9
163.06296	2.9
164.03435	6.8
164.05841	2.3
164.07054	13.4
166.05031	6.3
169.01405	3.9
174.05544	3.7
176.06961	2.4
187.08826	2.5
190.05087	2.3
204.06563	7.0
211.08711	3.8
212.05836	7.6
225.06656	4.8
236.09326	2.9
237.10301	7.0
238.07518	6.7
239.08315	11.9
240.08763	6.4
240.67186	2.7
241.09856	4.7
243.11389	6.3
251.08191	5.4
251.11913	2.8
252.08856	3.9
252.10301	3.0
252.12715	6.3
253.06255	17.0
253.09775	19.9
253.13226	2.9
255.11316	11.1
257.09283	3.2
261.12494	7.8
265.06058	3.7
266.06995	6.6
267.07776	18.0
267.11398	13.5
268.08502	12.6
268.12079	9.2
269.12775	2.9
271.10809	5.3
273.12454	13.6
279.07834	7.4
279.11404	2.6
280.08521	28.4
281.09290	37.8
282.10031	2.8
295.10886	100.0
296.11563	40.1
297.12476	19.8
299.10315	6.2
301.11969	8.0
303.13489	46.6
304.13745	3.6
313.12128	2.8
321.14551	3.7
327.13583	23.0
328.10376	3.1
339.09827	29.5
340.10376	11.2
341.11426	6.8
357.91949	2.5
371.12524	31.7
372.12994	3.2
373.13956	9.6
390.14520	5.0
404.16257	6.5
406.13425	2.8
479.17178	5.5
511.19998	12.7
557.23969	7.2
599.25079	18.1
601.22980	28.1
602.23376	6.2
617.26434	5.7
631.67328	2.7
633.25427	17.7
634.25226	3.6
643.24084	59.3
644.24646	11.0
661.25134	39.9
662.25397	8.8
665.23962	2.5
675.26685	41.9
676.27277	10.0
693.27045	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	691.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
69.57052	3.4
69.57455	10.9
78.95773	40.3
83.04909	5.3
84.02067	2.1
95.04923	1.7
96.96824	3.1
98.19795	3.2
107.31613	1.6
122.48034	1.6
125.05977	2.2
152.99490	55.5
163.11179	4.3
165.12819	2.4
171.00566	3.7
191.10542	1.9
209.11769	91.7
210.12149	4.5
227.03288	5.1
227.12833	17.2
245.04274	2.8
253.21753	21.5
254.22015	1.9
277.21786	3.8
363.12103	8.6
437.15823	6.8
455.16882	100.0
456.17160	7.2
464.31348	1.5
532.22784	1.8
538.70471	1.7
691.38153	47.5
692.38300	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	693.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90238	0.5
55.01743	0.5
57.03326	1.9
59.01253	24.6
62.59570	0.4
63.80355	0.4
69.03333	1.6
71.01270	1.2
71.59772	0.9
72.99185	3.5
73.02818	0.6
81.03323	1.4
83.01270	1.6
85.02839	2.0
87.00753	0.6
93.03331	1.0
95.04935	1.0
96.95862	0.8
97.02853	2.4
107.01271	1.4
109.02854	6.8
111.00768	0.8
113.02319	0.7
119.04928	3.7
121.02806	1.1
123.00772	1.5
123.04425	4.1
124.01518	0.8
125.02346	58.5
126.02670	1.4
135.04398	1.1
137.02348	7.3
139.00282	1.0
139.03922	1.4
140.01073	1.1
145.02863	2.3
147.04428	58.7
148.04762	2.1
149.02371	2.8
150.03137	0.9
151.03931	4.6
159.04465	1.4
161.02428	0.7
161.05983	1.9
164.01048	0.9
164.04732	1.1
165.01794	1.8
165.05496	51.2
166.05800	1.8
166.99722	1.4
167.03377	0.6
168.00583	1.3
169.01344	100.0
170.01682	2.8
175.03917	1.2
176.72510	0.5
177.01837	0.8
179.03447	1.9
185.05934	0.8
187.03929	2.1
188.04683	1.6
193.01334	5.0
193.04965	1.4
202.06204	0.7
203.07066	5.4
205.05040	3.0
207.06580	26.4
208.06975	1.6
221.08157	1.0
223.06058	2.4
227.07149	1.8
243.02852	0.5
245.08167	7.8
253.05023	1.4
259.05969	0.7
262.27460	0.7
271.06125	3.6
285.04160	0.7
289.07205	35.1
290.07706	2.4
303.05051	1.4
309.87393	0.6
331.04434	1.6
359.25983	0.5
425.89240	0.6
441.08282	34.2
442.08633	3.3
655.04395	0.6
656.98480	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	2.1
60.58429	0.7
70.33565	3.3
78.95778	100.0
80.02570	1.4
80.05445	0.7
81.03350	1.4
83.04901	5.3
84.02048	0.7
85.69337	0.7
90.56223	0.8
91.65928	0.9
95.04921	2.0
96.95902	1.5
96.96845	11.5
109.06444	0.7
113.09629	1.3
134.98497	1.2
135.08009	0.8
140.87228	0.7
150.97935	1.0
152.99493	61.5
163.11238	4.9
165.12729	1.4
171.00569	1.1
191.10803	1.0
195.13823	7.7
209.11771	64.6
210.12126	4.7
211.13336	1.9
227.12857	7.0
236.99370	0.8
269.53494	0.8
277.21735	6.4
278.11346	2.9
293.21304	4.6
295.22797	27.6
296.23218	2.5
315.19455	1.7
363.12155	18.4
364.12527	2.5
375.21844	1.5
381.13229	4.0
395.14728	14.2
396.15048	1.6
413.15738	3.3
431.22003	13.8
432.22839	1.2
447.21231	0.9
449.23123	3.3
461.84995	0.9
659.35638	40.8
660.35870	8.7
691.38281	19.9
692.38776	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.0
60.04824	0.7
62.71468	0.7
62.96273	0.7
70.32912	1.3
70.33296	1.5
75.13612	0.8
78.95774	33.2
80.02531	1.5
81.03325	1.5
83.04897	7.7
85.54078	0.7
95.04898	1.1
96.96838	3.4
125.05931	1.0
130.60815	0.8
135.08124	1.0
152.99486	53.0
163.11166	5.5
165.12766	3.0
171.00558	4.7
171.10037	0.9
191.10751	2.1
209.11772	83.5
210.12105	3.5
227.03177	3.2
227.12837	13.8
245.04237	2.3
253.21715	22.3
254.22107	1.1
275.44208	0.8
363.12122	7.6
437.15747	7.6
455.16864	100.0
456.17181	6.5
691.38232	55.5
692.38531	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	691.355
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64040	0.5
59.01251	2.6
60.47450	0.5
71.01247	2.8
71.54605	1.0
73.02814	0.6
75.00745	0.7
80.02574	0.6
81.03331	1.1
83.01253	0.8
83.04889	3.6
84.02014	0.7
85.02819	1.6
85.46237	0.5
87.00761	0.6
89.02309	1.8
95.04900	1.0
99.00783	0.6
101.02315	2.3
113.02322	1.9
125.02324	1.1
125.06002	0.6
125.09618	0.8
127.11151	1.1
133.45871	0.5
147.04398	2.5
161.04434	1.1
163.11223	3.2
165.12714	1.1
166.37973	0.5
171.10147	1.3
191.10712	0.6
201.11258	24.3
202.11732	0.8
209.11769	100.0
210.12140	5.6
227.12830	13.6
228.13124	0.9
235.08202	2.6
253.09265	9.0
280.78632	0.5
294.36298	0.6
393.23035	0.7
397.11334	0.8
419.18784	0.6
437.20602	1.1
445.20883	1.5
587.17834	1.7
647.19812	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14183	0.6
57.03327	0.9
59.01246	1.0
61.98707	0.8
62.69313	0.6
62.96289	0.9
65.59553	0.7
69.69410	4.2
69.69830	1.3
78.95778	100.0
82.24012	0.6
83.04897	1.2
88.98670	4.9
96.96842	8.3
98.19881	1.3
127.49915	0.7
134.98418	1.4
150.97816	0.7
152.99495	53.3
153.99789	0.9
163.11201	1.6
169.12254	0.9
170.89429	0.8
171.00620	1.2
171.10167	1.5
179.14433	0.9
183.13849	1.1
191.05124	0.8
193.12357	0.8
195.13834	9.2
197.11707	0.7
199.13216	1.0
209.11769	21.3
211.13344	18.8
212.13698	1.4
227.12830	3.7
277.21741	7.2
286.90387	0.9
293.21188	1.7
295.22781	28.5
295.25980	1.6
296.23203	3.2
311.22260	6.3
347.12717	2.6
363.12180	4.4
365.13779	1.0
379.15244	2.6
395.14752	4.0
397.16452	1.1
431.22025	19.8
432.22366	1.7
447.21475	8.3
448.22272	0.9
449.23184	6.5
458.48581	0.8
465.22751	1.9
536.81677	0.8
547.48157	0.8
628.21643	1.1
659.35632	33.4
660.36011	5.5
691.38074	19.8
692.38763	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	691.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.5
57.03305	0.8
57.24414	0.3
58.00462	0.9
59.01253	19.6
68.99669	0.4
69.03315	1.2
69.49960	1.1
69.50364	1.7
71.01254	13.8
72.99184	1.0
73.02827	2.2
78.95763	0.5
83.01270	1.4
85.02830	3.1
87.00755	3.0
89.02321	12.1
95.01270	1.1
97.02847	1.9
99.00750	1.1
101.02324	10.0
103.03952	0.4
111.04303	0.4
113.02336	5.4
119.03369	3.2
125.02316	2.9
131.03432	0.7
139.03857	0.4
143.03409	2.0
161.04449	2.2
167.12296	0.3
179.05539	2.6
179.14369	1.0
195.13823	9.0
196.14368	1.1
199.06116	0.4
211.13332	0.8
221.06599	1.0
223.13353	5.8
228.13647	0.7
235.08212	3.0
253.09265	1.3
256.13171	1.1
263.07660	0.4
275.20187	4.7
276.20285	0.5
287.07730	0.6
293.21234	100.0
294.21600	8.6
305.08777	0.8
323.09735	0.7
397.13525	19.7
398.13919	1.7
415.14560	22.0
416.14932	1.8
446.57257	0.4
519.59619	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.4
58.00455	0.9
59.01251	17.2
69.03303	0.6
69.46351	4.6
71.01250	14.5
72.99187	1.1
73.02805	2.3
75.00712	0.6
78.95770	4.4
83.01243	1.5
83.04927	0.7
84.77958	0.7
85.02805	3.1
87.00741	3.4
89.02315	12.9
95.01254	1.1
96.95865	0.9
97.02843	1.9
98.20499	0.9
101.02318	10.2
113.02332	4.1
119.03379	4.7
125.02309	3.4
131.03456	0.7
143.03418	1.7
152.99492	2.6
161.04454	2.6
167.03542	0.6
179.05533	2.9
195.13838	9.2
196.14227	0.6
201.11343	0.8
202.65640	0.6
205.12129	0.6
209.11728	0.7
211.13281	1.0
223.13321	6.2
235.08188	3.4
253.09343	1.2
256.13260	1.0
263.07703	0.8
265.21912	0.7
275.20187	4.0
277.09201	0.5
293.21222	100.0
294.21536	8.4
305.08795	0.6
323.09918	0.8
328.96164	0.5
397.13477	20.2
398.13873	1.1
415.09000	1.2
415.14532	24.8
416.14996	2.2
600.82300	0.6
624.18359	0.7
654.26892	0.8
673.33783	0.9
691.35315	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56001	0.7
57.03326	1.9
57.28350	0.7
59.01254	8.8
69.03337	1.0
71.01250	10.1
72.99178	0.9
73.02827	1.8
78.95782	1.4
79.66965	0.6
80.02561	1.0
81.03329	1.5
83.01228	0.8
83.04900	5.6
85.02824	3.2
87.00745	1.8
89.02320	5.1
95.04897	2.3
97.02850	0.8
97.06494	5.0
97.54476	0.7
101.02333	5.1
113.02333	3.0
123.00787	1.0
125.02341	2.8
125.09622	1.2
133.10120	0.7
149.09645	0.9
151.03893	0.8
151.11217	15.7
152.11572	0.8
161.04463	2.4
163.11223	4.2
165.12778	2.5
169.01428	0.8
169.12277	87.0
170.12614	4.6
171.10167	2.2
181.79550	0.7
195.10178	2.3
197.11858	1.2
199.13412	1.1
209.11792	67.2
210.12189	4.7
211.13364	4.4
213.11278	12.4
222.83783	0.9
223.16965	1.2
225.11369	0.8
227.12874	6.7
228.13362	0.8
235.08214	2.2
248.71394	0.8
253.09283	6.3
284.03000	1.0
293.21393	3.8
397.13647	1.4
415.14536	1.0
431.19144	2.5
449.20212	7.0
497.27795	1.0
641.31677	3.2
659.32843	100.0
660.33234	17.3
691.35327	6.5
692.35291	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66547	0.4
53.74275	0.4
59.01253	4.3
61.98693	0.4
63.06667	0.4
69.54298	4.1
71.01254	3.1
73.02813	0.9
75.00748	0.7
77.09569	0.4
80.02553	1.3
81.03323	0.8
83.04894	3.5
84.02057	0.6
84.49520	0.5
85.02794	1.0
89.02329	1.5
93.67496	0.4
95.04916	0.6
97.10556	0.5
97.54427	0.5
98.20434	1.0
101.02317	1.6
111.77537	0.5
113.02318	1.6
115.21461	0.5
116.15736	0.5
119.03425	0.6
124.14117	0.4
125.02346	1.1
125.09673	1.4
127.11188	0.9
135.08025	0.5
155.10759	0.6
161.04478	0.8
163.03825	0.5
163.11223	3.2
165.12724	2.1
169.01346	1.1
171.10196	2.1
191.10747	0.5
201.11267	21.4
202.11722	0.8
209.11775	100.0
210.12093	6.6
225.11336	0.9
227.12859	13.8
228.13123	0.9
235.08157	2.0
253.09273	7.4
260.68719	0.6
285.03766	0.6
334.49716	0.5
375.21741	0.8
437.20261	0.8
445.21021	1.6
458.70959	0.5
555.42175	0.6
593.42609	0.6
691.32104	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15104	2.8
59.01253	9.4
61.98709	4.0
70.38197	2.9
70.64959	10.9
71.01263	6.7
78.95778	51.3
89.02316	5.0
96.96838	6.1
97.90268	2.8
104.79775	3.0
125.02332	4.4
152.99510	19.9
171.10156	6.8
201.11162	4.5
207.10254	5.2
209.11765	100.0
210.12149	8.1
227.12859	12.9
235.08257	12.2
249.11125	5.2
253.09314	7.2
293.21234	7.1
299.06076	3.7
378.34714	3.2
399.87994	3.4
445.20847	7.4
456.27667	7.4
483.09033	3.2
496.79715	3.1
673.33508	4.6
674.35004	4.0
691.33154	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	8.2
60.05344	0.7
69.53373	2.9
69.53810	3.3
71.01261	7.7
75.00769	0.9
77.03395	0.7
78.95798	2.4
83.01260	1.0
83.04910	1.4
85.02833	1.8
87.00753	1.8
89.02309	2.9
91.22397	0.7
101.02330	5.3
111.08011	0.9
111.52692	0.7
113.02351	2.8
119.03423	1.3
119.92714	0.7
125.02393	0.9
133.05011	0.7
143.03424	0.7
145.04898	0.9
152.99478	1.2
161.04457	2.3
165.12770	9.4
171.10199	3.7
179.05522	1.1
183.13832	98.5
184.14172	4.7
193.12328	2.3
197.11705	1.1
199.09709	0.9
201.11229	1.5
207.10175	1.8
209.11763	11.1
211.13339	100.0
212.13704	5.7
215.12782	3.9
225.11320	1.6
227.12849	6.8
230.67444	0.9
235.08139	3.7
253.09291	5.8
274.28333	0.7
419.22437	1.6
445.20648	2.1
447.22122	2.9
463.21890	4.6
657.34906	81.4
658.35132	14.0
689.37390	5.5
690.37238	1.3
711.96033	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.31
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89490	2.4
59.01243	6.3
61.98701	3.5
70.12051	11.3
70.66522	2.3
71.01268	5.1
72.03545	3.1
78.95775	15.1
96.86192	2.6
147.16765	2.3
152.99458	4.9
171.10185	3.3
202.99892	2.6
207.10234	2.5
209.11769	100.0
210.12096	7.2
225.11349	4.2
227.12804	9.5
253.09276	4.6
445.20746	4.5
691.31525	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	689.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.3
56.35754	0.5
57.03316	2.5
58.00479	1.0
59.01255	26.6
61.98684	0.9
69.03314	1.1
69.27615	5.4
69.28023	1.5
71.01251	23.6
72.99158	1.6
73.02821	3.1
75.00743	0.9
78.95786	1.2
81.03329	0.8
83.01245	2.2
83.04913	1.5
83.95825	0.6
85.02828	4.6
87.00745	4.2
89.02320	15.8
95.01273	0.9
95.04913	1.8
96.50414	0.6
97.02850	2.9
98.20583	1.4
99.00764	1.6
101.02328	16.6
109.06477	1.8
111.04409	0.9
111.08044	10.0
113.02320	6.8
119.03395	5.6
125.02351	5.4
127.03977	0.6
129.82603	0.6
131.03394	1.0
137.09644	1.2
143.03415	2.6
149.02368	0.9
161.04446	3.2
163.11238	1.8
167.10693	2.2
171.10219	5.1
177.12709	1.6
179.05505	3.4
179.10718	2.6
181.12317	1.0
183.13803	1.1
195.13821	4.7
197.11813	1.1
201.11296	1.9
207.10208	2.8
209.11769	11.9
210.12105	1.1
211.13373	4.0
221.06767	0.9
225.11264	3.9
227.12863	3.2
235.08197	6.3
242.95630	0.7
247.20627	2.4
253.09148	3.0
273.18576	1.1
287.07751	0.7
291.19672	100.0
292.20047	8.4
305.09000	1.3
339.29147	0.7
359.10941	0.8
379.12222	0.8
397.13513	41.2
398.13788	3.0
415.14587	23.4
416.15125	1.9
464.96002	0.7
611.38232	1.1
671.32477	1.6
689.33368	4.2
690.33417	0.8
715.45471	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48724	0.8
56.25813	0.9
56.49977	0.9
56.95819	0.9
57.03298	0.9
58.00460	1.0
59.01252	5.9
71.01257	32.7
71.58466	1.5
73.02827	2.9
78.95778	36.0
81.03341	3.3
83.04898	6.5
84.02042	2.0
85.02837	2.0
87.00759	1.6
89.02314	1.9
96.96856	4.6
97.02823	2.4
99.00752	2.3
100.21695	1.0
101.02328	3.9
109.06488	6.2
113.02306	2.6
125.02349	1.1
125.09595	2.6
127.11171	0.9
135.08012	1.5
143.03391	1.3
152.99504	21.8
155.10652	1.5
161.04482	1.4
161.09715	1.0
163.11205	9.1
165.12718	2.3
168.12741	0.9
171.10188	29.0
181.12276	3.6
185.11731	1.3
189.09157	1.3
191.10759	1.7
195.13980	1.2
197.11832	1.1
199.13295	1.4
201.11281	15.2
207.10225	11.9
209.11771	100.0
210.12093	3.7
211.13326	2.4
215.12842	2.1
223.13313	1.7
225.11272	24.1
227.12865	10.7
235.08185	2.6
243.12343	1.8
251.12926	1.5
253.09256	9.6
263.12787	1.2
293.21295	4.5
295.10541	1.4
363.12125	6.7
381.13156	1.6
395.14780	4.3
399.21600	1.5
417.22937	1.7
425.14993	1.0
429.20474	3.7
445.20206	1.8
461.20169	4.2
633.78082	1.1
635.31134	1.4
653.31360	2.1
657.33942	14.4
658.34045	1.7
671.33118	1.8
689.35004	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	689.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.4
59.01249	5.0
69.03329	2.2
69.40714	4.6
71.01271	0.7
72.99139	0.5
73.40443	0.5
86.02480	0.6
95.01286	0.8
96.95882	1.1
97.02826	1.5
99.00716	0.5
121.02937	0.5
123.00770	1.9
124.01530	3.3
125.02335	62.6
126.02664	2.2
137.02322	0.7
139.11206	1.5
147.68256	0.5
149.02380	0.6
151.03862	0.5
166.99730	1.2
167.03369	0.8
168.00528	5.9
169.01334	100.0
170.01677	2.9
181.12227	1.2
183.10178	2.7
199.13257	0.9
225.11261	1.1
243.12335	3.5
313.05698	1.1
313.49026	0.5
331.06671	4.0
445.09882	5.2
463.10934	3.5
484.84012	0.6
519.20703	3.6
629.20740	2.2
671.21893	1.3
689.22937	39.2
690.23419	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	689.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02062	1.2
59.01248	6.2
61.98695	4.8
71.00884	2.6
71.01257	27.4
71.59081	2.0
78.95779	59.3
83.04909	6.7
85.02837	4.0
87.00730	2.9
89.02341	3.4
95.04932	1.5
96.96846	5.4
101.02335	4.9
109.06445	3.4
113.02318	2.3
119.15083	1.5
125.09587	2.4
135.08093	1.7
137.68079	1.7
152.98299	2.6
152.99495	32.9
163.11220	7.0
165.12769	2.9
171.10188	26.3
172.10471	2.1
181.12271	3.6
183.13841	2.0
185.11894	1.7
195.13779	2.6
197.11760	1.7
201.11256	15.5
207.10175	10.2
209.11774	100.0
210.12064	5.6
211.13336	6.4
223.13133	1.7
225.11282	17.9
226.11662	1.4
227.12823	13.4
235.08101	2.7
253.09291	8.2
291.19495	1.3
293.21341	9.5
363.12186	10.5
381.13214	3.2
385.78873	1.4
395.14807	7.1
429.20325	9.2
446.46875	1.6
447.21603	3.7
461.20261	2.1
480.69052	1.8
620.30872	1.8
657.34039	19.2
658.34540	3.7
671.33728	1.6
689.36584	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	687.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19347	12.6
57.18585	12.6
59.12786	12.4
63.26224	10.8
69.17435	12.0
78.95782	45.2
98.19774	29.2
100.85040	13.3
105.16663	14.0
152.99506	39.6
166.89157	12.7
195.07524	12.6
195.13768	12.1
203.28632	12.9
205.12151	14.2
219.75688	13.0
223.13393	79.7
253.21677	31.9
255.23337	17.0
359.12656	22.7
451.17380	100.0
630.59564	13.1
687.38428	26.8
691.86597	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	689.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	8.9
71.01253	4.0
72.99154	1.1
73.02785	0.5
74.39812	0.7
75.00736	1.3
77.12263	0.5
80.21619	0.7
83.01235	1.0
85.02834	3.3
85.53925	0.6
87.00764	1.1
89.02317	1.1
90.97901	0.7
93.62771	0.6
95.01253	1.4
96.95884	0.8
99.00751	0.7
101.02329	1.9
103.99039	0.5
105.91464	0.7
108.02046	0.7
109.02827	1.2
113.02312	2.0
119.04902	1.0
121.02872	0.7
123.00761	5.9
124.01558	17.0
125.02361	7.7
126.02629	0.7
135.04414	1.2
137.02350	1.7
138.03075	0.6
139.03915	5.6
145.02910	0.7
146.03645	0.9
150.03154	0.7
151.03947	0.7
153.01822	0.9
158.03581	0.9
159.04454	5.4
160.05162	0.8
161.02332	1.5
163.03889	1.1
164.04663	2.5
165.01881	1.1
167.03418	1.2
169.01302	4.3
174.03203	1.4
175.03868	2.0
177.01816	2.0
179.03462	1.2
187.03943	29.1
188.04724	18.4
189.05302	1.6
191.01938	1.1
191.03453	7.0
198.34683	0.6
199.04024	0.7
201.01907	1.2
202.02617	1.2
203.03378	2.4
204.04178	1.0
205.01422	1.0
205.05038	7.0
211.07567	2.4
212.04718	0.8
213.05559	1.9
214.02612	4.1
215.03447	12.7
216.04233	17.3
217.04703	2.3
218.02240	0.8
219.02925	2.3
220.03616	0.9
227.07088	2.6
228.07796	2.2
229.04964	1.3
229.08676	6.8
231.02972	5.0
231.06589	3.2
232.03748	2.1
233.04456	1.2
237.05554	1.5
239.07147	3.5
241.04991	4.5
242.02208	1.1
245.04482	0.8
253.05034	0.7
255.06615	5.5
256.07370	1.6
257.08179	33.5
258.08426	2.2
259.05954	0.8
265.05042	3.1
267.02805	1.1
271.09723	0.8
273.07761	3.2
283.06137	4.9
285.04080	1.4
299.05536	0.8
301.03912	0.9
301.07126	3.8
302.07520	0.7
327.04987	0.8
361.09113	0.9
403.10092	0.7
417.11923	1.8
445.11411	6.7
446.11658	0.6
479.98315	0.6
516.12396	1.0
557.16309	3.6
558.17554	0.7
575.35620	0.6
579.34436	0.6
585.16113	100.0
586.16431	13.8
628.39160	0.6
629.15167	19.7
629.25702	0.9
630.15186	3.7
642.03973	0.6
647.15955	1.2
689.17139	1.1
689.29694	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	687.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61238	1.3
57.03306	2.2
58.78422	1.6
59.01250	22.5
61.98691	1.9
69.03334	3.3
69.34821	15.2
71.01257	13.1
72.99194	1.8
73.02802	3.8
78.95787	1.7
80.02538	2.4
80.05613	1.4
83.01286	2.7
83.04899	5.2
85.02820	5.4
87.00723	2.4
89.02323	7.3
96.95869	2.0
97.06461	1.6
99.00741	2.1
101.02332	7.4
109.06528	2.2
113.02306	5.2
123.04383	2.0
125.02331	5.3
125.09628	3.5
127.03884	3.1
127.11207	1.6
137.02371	2.6
139.87383	1.8
141.01602	2.8
161.04417	2.6
163.11179	4.8
165.12712	2.1
167.10670	1.8
169.01410	2.3
171.10208	10.7
179.05565	2.2
179.10710	2.6
179.14334	2.3
183.13870	4.8
195.13879	8.3
197.11769	3.3
201.11263	45.1
202.11659	3.2
202.68378	1.5
205.12335	8.2
207.10211	3.1
209.11766	100.0
210.12094	4.1
211.13490	1.7
223.09697	5.4
223.13345	99.0
224.13684	4.8
225.11208	4.8
227.12868	16.7
235.08180	5.5
253.09308	14.7
437.20071	2.2
445.20636	3.7
459.22574	12.1
591.64038	1.8
627.40045	2.3
669.31110	2.2
687.31177	17.1
688.32440	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	687.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52068	0.9
54.29877	1.1
55.01759	1.1
57.03307	2.1
59.01254	13.5
68.99702	1.1
69.03324	4.9
71.01260	12.4
71.04884	1.9
72.99181	3.2
73.02805	1.6
75.00738	2.6
81.03336	2.2
83.01285	2.4
83.04899	5.5
85.02827	5.1
87.00748	3.2
89.02323	7.3
95.01256	2.0
95.04929	2.4
96.95882	2.8
97.02809	1.4
97.06476	1.2
99.00743	4.3
101.02336	7.0
109.02861	2.4
109.06470	2.0
110.03642	1.0
111.17560	0.9
113.02367	6.0
119.03387	1.2
119.04913	1.9
121.02818	1.4
123.04401	1.4
123.08077	1.7
125.02361	7.8
125.09603	3.6
135.07990	1.7
137.02322	1.4
151.00269	2.7
151.07523	1.9
151.11185	2.7
153.12714	1.9
161.02336	2.0
161.04474	1.6
161.09628	3.6
163.00417	1.1
163.11179	5.8
164.11545	1.0
165.12758	3.3
167.07166	1.1
169.01270	2.8
171.10178	5.8
175.02417	2.2
177.01828	3.7
179.10721	7.7
180.03838	1.1
181.12299	2.2
197.11777	67.8
198.12119	3.8
199.13231	1.7
205.08601	1.5
207.10170	3.5
209.11784	63.6
210.12077	4.2
212.14780	1.0
223.09775	4.6
225.11301	6.3
225.14848	1.1
227.12846	7.2
235.08214	2.7
241.10782	5.8
243.02995	1.7
243.12389	1.6
253.09219	4.4
255.02885	3.1
271.02420	4.1
299.02167	5.2
300.02744	15.7
301.03244	3.6
339.05023	1.2
357.15567	1.1
364.07327	1.0
459.18109	1.3
477.19830	4.6
511.16071	4.5
611.07214	1.2
627.37946	1.1
669.30591	2.0
687.32208	100.0
688.32648	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65189	0.4
54.80521	0.4
55.01759	0.7
57.03311	2.7
59.01250	9.7
61.98698	0.8
67.01754	0.5
68.99697	0.7
69.03316	0.9
69.35383	5.1
71.01255	14.5
72.99181	4.0
73.02819	1.2
75.00745	10.9
83.00495	0.5
83.01266	1.1
83.04901	1.8
85.02821	13.3
87.00752	5.4
89.02309	2.5
95.01258	3.4
97.02866	0.6
97.06504	1.1
99.00758	8.9
101.02315	0.9
101.89462	0.5
103.00245	1.1
111.00788	1.0
111.08020	1.2
113.02334	12.6
115.00255	1.9
117.01826	1.0
120.20510	0.5
122.97909	0.5
123.94107	0.5
125.02313	1.3
127.03911	1.0
129.01839	0.7
152.99538	0.5
157.01289	0.9
163.11198	0.6
165.12761	14.5
166.13104	0.9
171.10190	2.1
175.02406	2.8
176.08772	0.5
178.64151	0.5
183.13826	100.0
184.14143	5.1
193.03372	0.6
197.11819	0.6
201.11232	0.7
205.06960	0.8
207.10210	1.4
209.11768	7.5
211.13335	1.8
223.09735	0.8
225.11250	0.8
227.12846	7.4
249.06152	1.4
301.16336	0.8
403.20923	0.5
415.19553	2.3
459.18784	1.4
477.19952	2.7
505.37924	0.6
509.58505	0.6
511.29062	7.5
512.29065	1.1
581.33508	1.1
625.32452	7.5
626.32574	0.9
636.92072	0.6
643.32697	1.4
651.39594	1.3
669.31506	5.3
687.32294	97.6
688.32648	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	687.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	4.0
71.01280	2.4
71.40117	1.5
77.04787	0.6
80.85242	0.6
85.02843	1.1
91.40324	0.6
93.03342	4.1
95.01276	1.2
95.04926	0.9
101.02328	0.8
107.04929	0.6
108.02058	1.4
109.02855	3.5
113.02388	1.1
119.04986	0.7
121.02856	8.3
122.03635	16.3
123.00775	0.8
123.04440	1.8
124.01555	0.9
125.02373	2.5
130.47289	0.6
132.02081	0.7
133.02882	1.4
135.04425	0.9
136.01555	1.4
137.02351	10.0
138.01865	3.0
138.02968	0.7
147.04448	0.6
149.02354	38.8
150.03140	92.7
151.00298	2.6
151.03864	4.7
152.01009	1.1
152.04684	1.5
153.01752	0.7
153.05513	0.7
159.04500	0.8
161.08104	0.9
162.03094	1.0
163.03928	1.1
164.04694	5.9
165.05493	100.0
166.02632	8.3
166.05827	3.6
167.03369	2.4
169.01331	0.7
175.03896	1.2
177.01834	1.7
179.03401	2.2
180.04227	5.1
181.03403	1.1
181.04984	14.1
187.03949	1.0
191.03491	0.9
193.04970	1.7
195.06570	57.7
196.06914	2.9
196.92023	0.7
203.06487	0.5
205.04988	2.4
207.06561	1.1
209.11639	0.8
219.06482	0.7
220.07361	1.8
235.09863	0.6
315.08887	1.5
329.10236	1.9
341.10217	0.6
359.11563	0.7
371.11240	1.6
386.13690	1.5
387.10553	0.9
403.13550	1.3
417.15533	12.9
418.15799	1.8
421.11646	1.3
445.11081	1.2
461.14398	2.7
476.16562	1.1
477.17740	2.9
489.10373	0.9
491.19241	16.8
492.19385	1.6
535.16315	2.6
549.11310	0.9
550.17902	2.3
565.20776	41.9
566.21204	7.1
613.22375	0.9
639.24481	17.9
640.24725	4.1
645.35590	0.7
687.26636	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	4.7
62.97378	0.5
67.01764	0.5
69.03336	0.9
69.26730	5.1
72.99182	0.4
75.52819	0.4
81.03343	0.6
85.02805	0.5
95.01267	0.8
97.02850	1.1
113.02300	0.5
123.00778	1.5
124.01540	2.5
125.02337	53.2
126.02702	1.3
135.04378	0.5
137.09698	0.6
139.00276	0.6
166.99721	0.8
167.03481	0.7
168.00536	5.6
169.01338	100.0
170.01695	3.6
179.10638	0.6
181.01463	0.5
181.08600	1.0
193.01437	0.5
197.11813	1.8
235.87502	0.5
241.10745	1.5
283.04492	0.6
313.05573	0.9
331.06598	4.0
342.57959	0.5
445.09866	7.6
461.00879	0.5
463.10913	6.5
464.11395	0.6
517.19141	3.5
569.88824	0.6
627.19012	1.0
687.21411	37.0
688.21680	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	687.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81126	0.5
55.59233	0.5
56.08882	0.5
59.01250	3.9
59.67860	0.6
62.18076	0.5
62.47095	0.6
64.97730	0.5
70.89046	0.5
70.89410	1.5
71.01251	2.9
71.65736	0.6
72.39830	0.5
72.99160	0.5
73.02839	1.2
83.01298	0.8
85.02843	1.9
85.31313	0.5
87.00762	1.0
88.73382	0.5
89.02334	2.0
89.07145	0.5
93.03349	3.8
93.82661	0.6
95.01289	0.8
96.95866	0.6
100.41658	0.5
101.02319	1.3
108.02064	0.8
109.02859	2.0
110.22388	0.6
111.00845	0.5
113.02345	1.4
119.03391	0.7
121.02842	5.6
122.03632	11.3
123.00797	1.1
123.04396	0.8
125.02325	3.1
133.02855	1.7
135.04437	1.5
136.01564	11.1
137.02356	5.9
149.02353	20.3
149.03563	1.0
150.03139	92.5
151.00307	4.4
151.03929	15.3
151.07516	1.7
152.01045	0.9
152.04646	0.6
161.02338	0.8
163.03996	1.0
163.57092	0.5
164.04716	3.8
165.01817	2.3
165.05487	100.0
166.02634	14.3
166.05788	4.6
167.03296	1.9
169.01334	1.8
175.03938	0.9
176.01237	0.5
177.01857	1.5
179.03426	1.5
180.04239	6.2
181.04988	18.5
188.61427	0.6
191.03450	0.9
195.06569	68.5
196.06935	2.8
197.11824	0.9
204.76244	0.5
205.04977	1.1
205.08551	1.0
209.08130	0.6
209.11777	1.5
223.09680	0.9
225.07544	0.7
225.11186	0.7
231.09129	0.6
315.12210	1.0
329.10483	0.6
330.31818	0.6
357.09875	2.6
357.15289	1.1
372.11978	1.4
373.12949	0.7
387.14526	27.4
388.14825	3.1
417.15561	11.2
418.15915	1.1
461.14264	2.5
476.16861	0.9
477.17206	0.8
491.19241	8.5
492.19189	1.5
519.79352	0.7
565.20331	1.4
587.37640	0.6
613.22845	0.6
635.68671	0.5
639.24280	1.3
687.19086	0.8
687.30615	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85848	0.2
51.95467	0.3
57.03321	0.3
59.01252	6.5
67.01778	0.5
67.03933	0.3
69.03341	1.7
71.57494	0.5
72.99183	0.7
73.02854	0.4
79.01789	0.3
81.03345	0.3
83.01265	0.3
87.00716	0.4
91.53769	0.3
95.01259	1.0
97.02837	1.8
109.02806	0.4
111.00774	0.4
111.38116	0.3
121.02791	0.4
123.00789	2.3
123.04428	0.8
124.01573	2.9
125.02338	59.5
126.02654	2.0
137.02333	0.4
137.09601	0.8
139.00249	0.7
139.03867	0.5
149.02338	0.5
152.01027	0.7
161.09673	0.4
166.99751	0.8
167.03426	1.7
168.00551	6.1
169.01338	100.0
170.01659	3.4
179.10692	0.6
181.01262	0.6
181.08627	1.1
182.09093	0.3
193.01346	0.4
197.11755	2.1
211.02524	0.4
223.02393	0.4
223.09674	0.4
235.02451	0.4
241.10783	0.9
278.25031	0.3
283.04718	0.5
313.05713	0.7
331.06674	5.1
332.06833	0.4
343.06717	0.8
400.64166	0.3
427.08585	0.6
437.94943	0.3
445.09955	5.9
446.09839	0.4
463.10928	6.1
464.11093	0.5
517.19373	2.9
519.93091	0.3
555.17346	0.4
627.19214	1.2
643.23254	0.4
669.20471	1.0
687.21399	32.3
688.21655	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	685.402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18169	1.0
55.01755	2.4
57.03328	2.0
57.04761	0.8
58.00468	1.4
59.01257	34.2
65.82966	0.8
69.42492	0.9
69.42805	8.1
71.01258	30.0
72.06187	0.9
72.99182	2.5
73.02456	0.9
73.02808	5.1
75.00746	2.4
83.01260	4.7
84.05263	0.7
85.02825	11.0
87.00758	3.7
89.01815	1.4
89.02327	16.6
90.61987	0.9
95.01276	3.1
99.00763	3.1
101.02330	18.6
107.01284	1.1
109.02822	1.8
111.00775	2.6
113.02345	12.2
115.00290	1.2
119.03414	4.7
119.04875	1.6
121.02843	1.1
125.02346	6.2
129.01807	1.4
135.04411	1.6
137.02321	1.3
143.03413	2.0
149.02364	1.4
149.04420	1.0
150.03134	2.9
150.04312	0.9
151.00276	2.4
151.03909	0.9
154.98553	0.9
159.02904	1.3
161.04568	1.2
163.03928	1.3
165.05487	2.5
165.09079	0.9
169.01363	4.1
178.99783	1.2
187.13356	1.3
195.06526	1.4
201.15005	1.1
209.08122	4.0
300.02744	1.6
301.87128	1.0
353.02844	1.4
359.27768	1.3
361.29498	5.2
477.08353	11.6
478.08676	1.8
523.14252	5.1
523.34827	12.4
524.35620	1.1
685.40112	100.0
686.20935	3.1
686.40497	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	685.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.6
57.03312	2.7
58.00468	1.8
59.01251	34.0
60.01600	0.6
71.01253	29.3
71.44309	0.7
72.01558	0.9
72.99168	2.3
73.02817	5.8
81.03337	0.9
83.01247	5.3
85.02823	12.1
86.03129	0.7
87.00740	1.6
89.02311	14.8
95.01256	3.7
96.95860	0.8
97.02828	0.8
99.00757	3.3
101.02323	20.1
102.02638	0.7
107.01227	0.6
109.02840	1.1
111.00756	2.8
113.02319	11.2
114.38521	0.6
116.67174	0.6
119.03406	5.4
119.04873	1.2
124.01566	0.7
125.02335	3.6
129.01779	0.8
129.22006	0.6
137.02356	0.9
143.03383	1.2
149.04417	1.1
151.00262	2.2
159.02846	1.0
161.04439	1.6
165.05527	0.7
165.09071	1.1
169.01311	2.6
175.02440	1.0
178.99767	0.9
187.13162	0.8
209.08121	1.8
243.02895	0.7
247.52699	0.7
273.21964	0.7
281.04794	0.7
300.02676	0.8
301.03543	0.8
359.28006	1.4
361.29636	6.5
477.08328	8.8
478.08234	1.1
505.33694	1.8
523.14160	4.2
523.34894	15.1
523.42969	0.9
524.34894	1.6
599.12170	0.7
685.40076	100.0
686.22266	0.9
686.40466	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61028	1.5
57.03320	4.9
59.01250	64.4
71.01248	3.7
72.99137	1.3
74.75385	1.8
78.99496	1.3
83.04864	1.8
85.02844	2.6
87.00759	1.3
89.02312	1.5
98.19761	3.8
99.00775	1.5
99.04400	2.9
108.02055	28.4
113.02317	5.3
115.57053	1.3
119.08575	3.3
122.03630	2.3
123.00777	1.8
123.04401	16.3
125.02367	1.8
137.09616	9.4
150.38771	1.3
152.01059	66.0
153.01733	3.2
161.04420	2.6
161.09573	3.7
163.07515	1.9
167.03412	100.0
167.59399	1.7
168.03705	3.9
169.01387	1.5
179.03442	1.7
179.10706	7.3
181.08592	12.2
197.11772	29.8
199.48666	1.3
223.09737	5.5
230.72917	1.8
241.10770	22.8
336.62097	1.7
417.14923	1.5
443.07092	1.7
443.12076	19.6
444.12152	2.5
461.13040	20.5
517.18951	8.4
641.24072	4.4
685.23444	99.2
686.23523	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	685.214
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18482	1.2
57.03325	15.5
59.01252	39.4
65.03855	1.1
69.29984	4.9
69.30409	7.7
71.01267	10.3
71.04887	3.5
72.99180	1.7
73.59325	1.0
74.51604	1.1
75.00732	4.2
81.03323	2.3
83.01250	4.2
85.02837	10.9
87.00758	3.3
87.04390	2.4
89.02333	2.2
93.03345	1.2
93.35172	1.3
95.01244	1.3
97.02821	1.5
98.20553	2.5
99.00780	2.6
99.04397	12.8
101.02318	2.0
109.02833	1.8
112.03941	2.4
113.02338	5.8
115.03886	5.5
117.05486	5.8
119.04905	1.3
121.02813	1.9
123.04424	1.3
124.01548	1.7
124.03946	2.2
125.02341	76.3
126.02682	2.1
136.84044	1.2
137.02357	12.4
145.02826	1.3
148.52150	1.1
149.02333	2.4
151.03912	2.2
159.04430	1.7
161.02376	5.3
161.08107	48.6
162.08391	1.5
163.03848	1.3
165.01826	4.7
166.05009	3.8
167.03467	1.2
169.01341	2.6
175.03888	1.8
177.01871	1.8
179.03520	1.5
185.06079	1.6
187.03885	2.3
188.04721	2.9
190.02774	1.5
196.05243	7.2
199.03973	1.5
201.05606	1.7
212.04750	1.6
215.03410	1.8
216.04137	1.9
223.07549	1.3
224.04692	7.7
225.05470	2.5
225.09163	4.7
230.05855	1.6
235.07744	1.5
237.05463	1.2
239.07057	2.0
239.09236	3.2
240.07793	2.6
247.07600	3.2
249.05698	5.0
250.06252	2.0
251.07050	1.6
252.04318	3.2
252.07967	1.2
253.04822	1.5
253.08664	10.7
255.02963	1.7
257.08194	2.6
263.07101	8.8
264.07584	2.1
265.06128	1.4
265.08643	8.6
266.09222	1.5
267.06970	3.2
268.07419	2.7
269.04697	1.8
271.09750	3.7
274.06384	2.2
275.07080	4.0
278.05774	1.9
281.08109	5.8
281.11423	1.8
287.07135	2.3
288.07843	5.0
290.06006	1.7
291.06696	21.2
291.10150	3.9
292.07401	19.3
293.08151	23.9
294.08527	1.8
299.09250	1.4
303.06683	1.2
305.08234	2.3
306.05463	1.7
306.09045	1.8
309.11322	4.0
315.06543	3.7
315.09973	1.9
316.07443	5.3
317.07986	1.7
320.06842	2.8
321.07373	3.2
331.09766	2.1
332.06760	1.9
333.07935	1.9
333.11328	42.3
333.15332	2.2
334.08432	3.7
334.11761	3.8
335.09018	1.6
336.06381	1.5
337.07236	5.5
338.92261	1.3
339.09976	1.8
341.08078	2.0
347.12851	2.8
350.07956	12.0
357.11362	43.1
358.11609	4.1
359.05243	1.7
360.06259	2.5
360.10519	1.3
373.10724	2.5
375.12366	37.1
376.12616	4.1
377.10489	5.5
391.11868	16.9
392.12180	1.9
397.09164	5.2
401.10352	14.8
402.10474	1.4
419.11371	100.0
420.11667	13.9
434.13052	3.5
435.13342	3.8
437.12415	11.8
450.48309	1.3
459.41544	1.4
463.10312	23.6
464.10672	3.5
481.11450	4.1
505.10904	1.8
518.19159	2.0
523.12366	17.2
524.12610	3.0
541.13605	3.1
684.38855	5.2
685.07806	1.3
685.25281	9.3
685.38806	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	685.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36167	4.8
50.57543	5.1
57.03307	8.2
59.01239	19.8
67.62775	4.5
69.03326	13.0
70.87281	15.4
71.01250	28.5
73.02814	16.2
73.79885	5.2
76.22885	5.6
83.01241	15.2
85.02824	93.6
87.00750	100.0
95.01266	21.5
97.02816	28.7
103.03882	11.7
105.73690	4.7
109.02847	6.8
111.00778	33.7
113.02344	56.2
115.00241	18.4
127.03917	11.8
139.00270	43.0
147.70801	5.1
157.01350	26.6
173.04457	7.8
173.31714	5.1
175.02403	66.2
177.89044	5.1
185.55907	5.0
194.69615	4.7
199.02257	7.1
199.26917	4.9
217.03522	44.5
223.15535	5.3
259.04602	5.4
285.06131	7.7
303.07175	30.7
321.08209	14.4
345.08215	22.1
363.09363	10.3
452.03735	5.2
521.11646	34.6
581.13324	18.9
667.17548	17.4
685.18494	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	685.183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	6.9
57.03315	8.8
57.44054	2.1
59.01250	25.9
60.44411	2.2
67.01765	4.4
69.03326	10.9
71.01260	23.7
72.99200	4.3
73.02813	16.0
81.03360	3.1
83.01250	12.4
85.02825	81.3
87.00751	100.0
95.01263	28.3
95.06222	2.4
97.02843	25.8
98.19843	5.6
99.00737	3.0
103.03870	7.6
111.00755	19.4
113.02330	46.3
115.00289	15.6
121.02798	3.0
125.02386	2.6
127.03920	8.8
129.01797	6.7
139.00276	25.5
155.03439	6.0
157.01350	24.3
161.04317	2.2
163.05978	2.6
169.42686	2.3
173.04465	6.0
175.02393	44.0
199.02380	5.5
200.57466	2.3
201.91716	2.5
217.03487	35.9
259.04456	2.7
285.06091	3.6
303.07339	14.0
321.08246	7.0
345.08078	15.8
363.09354	3.8
521.11584	24.7
522.11755	3.7
539.12085	2.5
581.13641	9.5
625.16071	3.1
667.17310	17.6
685.18274	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	4.6
59.01256	53.4
67.33122	1.8
68.99667	2.4
70.91155	6.6
71.01258	47.3
72.94382	2.0
72.99171	10.7
73.02827	5.7
75.00748	27.6
81.03314	2.1
83.01231	2.7
85.02824	34.9
86.03149	2.7
87.00748	14.2
89.02314	13.1
93.03361	2.3
95.01273	6.6
96.95903	4.2
97.49618	1.8
98.82224	1.9
99.00771	13.2
101.02330	8.7
102.02620	2.3
103.00198	1.9
107.04889	2.4
107.90054	1.9
109.02862	4.6
110.02377	4.0
111.00782	2.9
112.03942	17.3
112.43757	2.1
113.02338	38.5
115.00312	3.0
117.01748	3.8
119.03390	2.3
119.04913	15.8
120.05251	4.7
121.02863	3.6
122.06030	2.3
123.00744	2.5
124.01550	3.6
124.03941	12.8
125.02349	17.7
129.01793	3.6
135.04411	3.5
136.26837	1.9
137.02408	4.9
138.85672	2.2
140.07082	3.8
149.05994	2.2
150.03117	2.2
151.00253	6.3
151.03876	2.7
161.02347	4.4
161.04495	2.6
163.03957	11.9
164.04329	2.7
166.05014	29.6
167.03371	3.1
168.00621	3.0
168.56238	2.0
169.01337	11.1
175.02397	6.6
175.03841	2.5
183.10213	2.0
184.06075	23.6
187.11212	3.6
193.03352	3.1
193.05020	2.9
205.12302	2.9
249.06110	17.7
267.07217	28.1
268.69638	2.2
301.03540	8.2
385.05472	5.4
413.10999	3.1
434.12982	51.9
435.12930	3.2
458.13974	2.6
481.24612	2.4
509.10822	14.0
517.19519	11.0
534.79083	2.0
666.24194	2.7
683.37921	4.9
684.25195	100.0
684.38818	9.2
685.25775	14.9
685.38715	2.0
710.41681	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	683.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52891	0.5
57.03323	4.7
59.01254	5.2
69.03335	0.8
69.41842	5.2
70.33099	0.6
71.01254	6.1
73.02795	0.7
78.95769	0.6
82.79802	0.6
83.04904	1.1
83.49414	0.5
85.02785	1.3
87.00732	0.8
89.02325	5.5
95.04906	1.0
97.06470	14.2
98.20553	1.1
101.02322	3.8
113.02324	2.3
119.03390	1.0
123.08052	7.2
125.09615	100.0
126.09940	4.5
131.03398	0.5
143.10686	1.8
152.99632	0.6
161.04489	0.8
169.08623	2.9
179.05469	0.8
187.09685	80.9
187.75244	0.6
188.10063	3.6
211.09618	0.8
239.72115	0.6
253.09195	1.9
261.13492	1.7
277.21719	16.3
278.22095	1.5
405.17682	6.9
406.17538	0.8
423.18738	19.9
424.18823	1.4
521.35272	1.1
641.11615	0.6
683.40088	71.6
684.40369	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	683.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88055	0.8
57.03326	5.8
59.01255	5.8
59.01521	0.9
64.03030	0.7
64.73731	0.7
68.06094	1.0
69.03309	1.4
69.95176	1.8
69.95586	3.4
71.01254	4.0
73.02800	1.7
78.95784	1.4
80.02537	0.9
83.04906	1.6
85.02792	1.9
87.00729	2.2
89.02293	2.2
95.04895	2.0
97.06471	17.6
98.19886	1.6
101.02339	5.1
105.58899	0.9
113.02293	2.3
123.08069	10.3
125.02320	0.9
125.09615	100.0
125.41559	0.8
126.09918	3.6
145.04959	1.6
154.61154	0.9
161.04434	1.8
169.08614	2.2
171.10246	1.3
187.09688	44.8
188.10100	1.2
235.08270	5.2
253.09256	3.7
277.21713	53.7
278.22031	5.7
309.69345	0.9
405.17648	7.6
423.13477	1.3
423.18649	9.9
486.84109	0.9
521.34515	1.4
683.40112	97.8
684.40387	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	683.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52970	0.2
59.01249	3.3
61.98716	0.3
69.23833	2.4
71.01250	2.6
71.20660	0.2
72.99168	0.3
73.02850	0.3
76.47117	0.2
80.91549	0.2
83.01238	0.5
85.02832	1.1
87.00760	0.6
89.02314	1.7
98.20564	0.5
99.00768	0.3
101.02332	2.5
113.02328	1.3
119.03424	0.6
125.02369	0.2
125.09602	1.1
127.11175	2.0
128.22437	0.2
143.03421	0.3
145.04985	0.4
152.99481	0.3
153.09093	0.4
161.04462	1.2
171.10190	100.0
172.10521	5.0
179.05489	0.3
179.14377	0.4
195.13864	3.1
196.14296	0.3
205.12297	0.3
205.15854	0.4
211.13480	0.2
223.13348	2.4
235.08176	3.4
236.08473	0.3
253.09288	10.3
254.09619	0.5
256.13153	0.5
275.20190	4.4
276.20416	0.4
277.21686	0.7
293.21234	39.1
294.21564	3.4
387.25467	0.7
405.26419	0.5
407.19199	1.0
623.34216	2.0
680.56665	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09220	0.8
52.53622	0.6
55.01752	2.4
57.03332	3.5
58.00459	2.5
59.01251	50.2
60.01579	1.3
62.21600	0.6
71.01256	48.1
72.99179	5.6
73.02814	5.8
75.00735	3.5
79.35832	0.6
83.01248	5.2
84.02020	0.7
85.02824	16.1
87.00747	3.3
89.02315	27.9
93.03323	0.8
95.01277	4.7
96.95870	2.0
97.02827	1.1
99.00754	3.1
101.02322	27.6
102.02715	1.0
109.02839	1.3
111.00751	1.8
113.02332	17.6
117.03381	0.6
119.03392	12.9
119.04881	2.3
121.02830	1.4
123.00760	2.0
124.01543	3.5
125.02329	8.1
126.02637	0.7
129.01768	0.7
131.03365	1.3
134.03659	1.4
135.04433	1.4
137.02361	1.8
143.03389	1.9
145.02827	1.2
149.02371	1.0
149.04451	1.6
149.99500	5.2
150.03093	0.9
151.00082	0.7
152.01024	1.0
157.12256	0.9
159.02847	1.3
161.04440	2.7
163.03908	1.6
165.01808	0.7
168.00545	9.1
169.01331	3.3
177.01843	1.0
179.03398	0.7
179.05534	3.1
187.13347	2.1
193.04880	1.3
201.14915	1.2
205.05006	0.8
225.05618	0.7
237.07603	1.1
255.06754	0.7
267.07239	0.8
289.07156	1.5
317.07867	0.7
327.05099	1.3
331.06830	1.6
345.05310	1.0
359.28085	4.9
363.20114	1.5
433.28400	0.8
503.32343	3.0
507.28177	1.8
514.53387	0.7
521.33258	23.9
522.33740	2.2
573.12524	1.1
628.87476	0.8
654.21851	0.7
683.18671	6.6
683.38580	100.0
684.19409	2.6
684.38763	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34661	0.6
55.01750	2.5
57.03326	4.5
59.01250	12.1
68.99693	1.3
69.26764	7.3
71.01255	23.1
72.99174	5.6
73.02827	3.8
75.00746	21.8
80.97195	0.6
83.01258	2.3
85.02827	28.4
85.03349	1.4
85.99936	0.8
87.00758	7.8
88.98673	1.9
89.02330	3.3
95.01266	3.9
95.97997	0.6
97.02816	1.1
98.20529	1.6
99.00758	7.5
101.02325	5.6
103.00237	1.0
111.00748	1.6
112.01517	0.9
113.02335	22.6
115.00242	1.9
117.01847	1.7
125.02314	1.9
129.01794	1.4
132.80763	0.7
137.02269	1.0
149.00789	0.9
159.02937	0.8
161.04462	0.8
175.02388	2.0
179.57549	0.6
209.11766	1.6
345.30194	1.0
392.36639	0.6
566.75342	0.7
639.33551	0.8
659.48822	0.9
683.38586	100.0
684.27234	0.9
684.38904	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	683.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68023	0.8
55.01743	3.3
57.03315	3.4
58.00459	3.0
59.01249	52.5
65.14779	0.9
65.71686	0.9
69.25574	10.1
70.56356	0.9
71.01251	44.9
71.04882	1.0
72.99184	3.6
73.02820	6.0
75.00751	2.6
83.01247	3.3
85.02824	12.6
87.00750	2.9
89.02314	26.2
92.30697	0.8
95.01246	4.7
96.95895	14.9
99.00758	3.0
101.02323	25.2
111.00764	1.3
113.02329	13.7
119.03384	10.7
119.04847	1.1
121.10120	0.9
124.01547	1.6
125.02330	4.2
131.03355	1.4
137.02406	1.0
143.03366	1.8
149.99403	1.2
151.03885	1.1
157.12213	0.9
159.02921	1.1
161.04420	2.4
163.03955	1.2
165.05467	1.1
167.53183	1.0
168.00568	4.2
168.59378	0.8
169.01335	1.4
177.01935	1.3
179.05582	2.7
181.04999	1.2
187.13286	2.5
190.13121	0.8
192.61412	0.8
201.14888	1.1
359.27991	3.2
387.14038	1.6
434.54352	0.9
503.32391	5.1
521.33228	20.5
522.33691	1.2
566.65326	1.1
683.20367	3.2
683.38574	100.0
684.22192	1.1
684.25958	1.0
684.39026	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	683.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75202	0.4
55.01752	1.2
57.03329	4.7
57.57776	0.5
59.01252	11.5
60.96356	0.4
62.20396	0.4
69.03315	0.6
69.39777	2.6
69.40208	2.4
71.01256	21.0
71.01662	1.0
72.99191	4.5
73.02822	3.2
75.00748	21.3
81.03283	0.4
83.01261	2.6
84.02054	1.1
85.02824	23.8
86.91344	0.5
87.00751	6.6
89.02314	1.9
95.01263	3.5
96.72678	0.4
97.02821	0.7
99.00756	6.7
101.02317	6.0
103.00262	0.5
103.94561	0.5
111.00729	1.5
113.02335	21.3
115.00257	1.4
117.01810	1.4
125.02351	2.9
129.01846	1.1
131.03419	0.5
137.02313	1.1
157.01387	0.6
161.02328	0.6
169.01407	1.0
175.02367	1.6
175.03780	0.5
209.11659	0.6
209.19025	0.8
304.48318	0.5
345.30264	0.8
376.94046	0.5
403.84558	0.6
428.77866	0.5
507.35413	0.8
665.37585	0.7
683.38580	100.0
684.38843	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	683.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	2.9
59.01254	53.5
70.15752	2.4
70.16171	4.5
71.01260	18.1
73.02818	3.7
78.95782	1.7
81.03356	1.3
83.01260	3.3
83.04910	1.3
85.02813	4.5
87.00755	6.6
89.02318	7.6
96.28319	1.1
98.77876	1.1
101.02336	12.2
109.06423	2.0
111.04393	1.3
111.07997	2.0
113.02296	5.7
119.03338	1.5
125.02325	2.9
137.02335	1.3
143.03419	2.2
145.04973	3.9
156.10873	1.2
161.04475	4.2
171.10188	64.6
172.10510	2.1
179.05563	2.1
195.13821	2.6
203.14362	2.1
209.11887	1.5
211.13326	2.0
213.14799	1.6
223.13351	2.7
231.17381	2.0
235.08238	11.8
237.14903	3.5
239.16533	1.5
253.09206	8.3
275.16602	2.9
275.20132	4.7
277.18256	1.5
277.21704	1.4
293.21246	32.0
294.21518	3.3
315.26669	2.5
325.25250	5.1
341.24811	3.3
343.26355	4.8
345.76288	1.2
347.05316	1.4
351.23248	2.5
359.25961	7.9
361.27887	1.7
369.24399	11.0
370.24350	1.3
387.25443	39.2
388.25598	4.1
405.26428	26.2
406.26697	4.2
459.33466	1.2
479.30237	1.9
595.35095	2.5
623.34375	100.0
624.34650	17.8
711.06049	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12531	0.5
57.17314	0.6
59.01253	21.8
65.53668	0.6
69.03307	1.0
71.01260	9.4
72.22141	0.6
72.99165	0.8
73.02817	1.8
78.95777	0.9
85.02813	2.9
87.00758	2.2
89.02309	4.1
93.07423	0.6
95.04928	0.7
98.20564	1.6
101.02318	6.4
109.06464	0.7
111.08048	0.9
113.02337	2.9
119.03408	1.2
125.02319	1.2
127.11167	1.7
135.08041	0.7
145.04980	1.8
152.99536	0.8
153.09076	0.6
161.04456	2.2
171.10184	100.0
172.10515	3.6
179.05525	0.8
195.06587	0.8
195.13837	2.9
197.11865	0.8
209.11938	0.7
211.13371	1.2
223.13330	2.2
235.08243	6.3
253.09258	12.9
256.13098	0.9
275.16861	1.2
275.20160	6.2
293.21234	42.6
294.21564	2.8
325.25491	2.3
341.24960	2.1
343.26508	2.4
359.25827	4.1
369.24503	3.2
387.25415	16.6
388.25818	1.8
405.26437	12.2
406.26917	1.7
407.19394	1.2
595.35150	1.7
623.34357	36.7
624.34766	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	683.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00142	1.2
53.12357	1.3
59.01252	46.8
68.68501	1.4
71.01252	37.1
71.56335	2.8
72.99203	1.6
85.02818	6.0
87.00730	2.0
89.02318	49.6
95.01257	2.2
101.02332	18.5
107.25030	1.4
113.02316	16.4
119.03356	13.5
125.02363	3.8
126.66445	1.4
131.03384	2.0
143.03384	4.1
161.04471	4.5
169.01338	3.3
169.20596	1.5
176.94171	1.4
177.01834	1.6
179.05524	19.9
339.11401	1.6
341.10886	100.0
342.11179	3.9
347.15674	1.5
379.52753	1.5
401.73083	1.6
410.33582	1.5
427.77985	1.5
478.76883	1.5
585.38757	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26648	0.4
59.01253	100.0
60.01595	1.1
69.54034	2.2
71.01239	0.6
81.03347	1.8
85.02839	0.6
89.02328	0.5
98.19737	0.3
109.06464	1.1
111.04409	1.2
112.73516	0.3
113.02367	0.6
121.02844	9.2
125.02340	2.3
127.07532	0.3
134.06906	0.3
136.05188	1.1
151.07553	10.2
152.07887	0.6
162.05414	0.7
162.06776	14.3
177.09131	26.0
178.09502	1.6
179.07076	1.7
187.53931	0.3
195.06569	53.8
196.06889	2.6
213.39972	0.3
221.08144	11.7
222.08495	0.6
239.09267	2.1
261.03760	0.4
281.10318	4.6
357.11917	5.2
361.75345	0.4
369.13342	0.4
412.81937	0.4
434.30151	0.4
683.26276	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.7
69.46188	2.6
69.46614	2.2
71.01249	0.6
71.04868	0.7
83.04885	0.9
84.02044	2.1
85.61447	0.5
95.04921	1.0
97.06451	0.7
99.08035	4.0
125.09641	2.9
127.07502	0.6
127.11154	2.7
129.09088	0.7
130.10185	0.6
130.38759	0.6
137.09613	1.1
139.11203	7.3
153.12764	1.0
155.10738	1.1
157.12274	1.2
163.11201	2.6
165.08917	1.1
165.12770	19.2
166.13118	1.1
167.10416	1.0
167.14294	1.2
171.10196	13.7
172.10594	0.6
181.12271	0.7
183.13881	3.2
191.06769	1.0
193.08392	20.3
193.12122	1.9
200.12260	0.6
203.10533	1.4
205.12070	2.8
207.10065	1.0
209.07895	1.6
211.13347	22.5
212.13637	1.3
215.10507	1.2
219.09959	2.5
221.11552	9.5
229.14423	13.4
230.14828	0.6
231.10022	9.1
232.10362	0.7
233.11560	97.6
234.11876	4.3
237.11069	0.8
247.09494	1.0
249.11128	15.5
250.11394	0.8
251.12878	23.6
252.12921	1.0
272.56653	0.7
290.76660	0.6
311.22336	0.9
329.23328	92.4
330.23691	7.2
333.19717	0.8
342.45554	0.6
351.21524	100.0
352.21863	9.2
366.83627	0.6
395.20633	2.0
501.81256	0.6
572.46698	0.8
681.45325	10.2
682.45557	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14988	0.3
55.01749	1.0
57.03305	1.5
58.00475	1.9
59.01254	38.3
60.01563	0.4
68.99683	0.4
69.03328	2.4
71.01257	35.8
72.99191	3.0
73.02438	0.5
73.02821	6.6
75.00726	0.9
77.37053	0.3
78.95789	0.4
81.03316	1.3
83.01254	4.1
85.02345	0.5
85.02827	8.3
87.00227	0.4
87.00756	9.9
89.02318	31.5
90.02637	0.4
91.03877	1.0
95.01251	2.4
95.04932	0.3
97.02827	5.9
99.00764	2.5
99.04342	0.3
101.02328	30.9
102.02675	0.7
103.03890	0.5
109.02841	0.7
111.04401	1.4
113.02336	15.2
115.03883	0.7
118.15823	0.3
119.02567	0.6
119.03384	9.6
120.03699	0.3
121.02869	0.5
123.00745	0.4
123.04383	0.6
125.02337	14.5
127.03912	0.6
131.03395	1.9
133.04932	0.9
139.03897	1.3
141.01785	0.4
143.03413	6.7
149.04434	0.9
152.99446	0.6
161.04477	6.7
167.03403	0.9
169.04958	0.5
171.10191	0.6
179.05537	6.5
185.04520	0.7
185.11742	0.8
199.06053	0.6
203.05521	0.5
217.07198	1.2
221.06592	3.0
229.53026	0.5
235.08188	14.8
236.08531	0.7
237.81631	0.3
245.06624	0.7
253.09242	4.0
263.07669	1.5
277.09286	1.4
277.21835	1.3
283.26416	100.0
284.26761	7.3
287.07788	3.1
297.27969	0.7
305.08762	4.8
323.09796	1.9
379.12506	0.7
397.13495	86.1
398.13770	4.9
403.30002	0.4
415.14563	33.5
416.15048	1.9
445.23596	0.6
678.24213	0.4
681.38806	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.5
57.03323	1.2
57.08471	0.3
58.00478	2.0
59.01254	46.2
60.01610	0.4
67.01765	0.4
69.03323	2.3
69.29798	3.4
70.09451	0.3
71.01255	39.6
72.01601	0.5
72.99194	2.7
73.02822	6.2
75.00750	1.2
81.03332	1.6
83.01260	5.2
85.02831	7.9
87.00759	9.3
89.02319	33.3
90.04895	0.4
91.03887	0.9
92.44513	0.4
95.01277	2.6
97.02835	6.9
99.00772	2.2
99.04409	0.7
101.02326	29.1
109.02852	0.8
111.00780	0.4
111.04394	1.3
113.02335	16.1
115.03891	0.7
118.07189	0.3
119.03389	10.3
121.02895	1.1
124.01580	0.8
124.31297	0.4
125.02341	12.4
126.02701	0.5
131.03406	2.0
133.04973	1.0
139.04010	0.8
141.01874	0.6
143.03397	5.9
149.04465	1.1
161.04475	7.5
167.03406	0.8
179.05533	6.6
180.05725	0.4
185.04462	0.6
185.11754	4.2
199.06120	0.8
217.07138	1.0
221.06628	2.0
235.08199	14.4
236.08633	0.6
245.06664	0.8
253.09276	4.2
263.07800	1.7
277.09213	0.6
277.21774	2.5
283.26422	100.0
284.26776	8.8
287.07724	3.8
295.22614	0.5
297.27979	0.6
305.08780	4.3
323.09750	2.1
361.11523	0.8
379.12262	0.9
397.13507	82.1
398.13895	5.6
415.14584	32.8
415.18997	0.5
416.14972	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	681.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.9
56.63181	0.4
57.03090	0.4
57.03325	5.4
58.00463	0.6
59.01255	12.6
67.01746	0.4
68.99665	0.8
69.03299	0.7
71.01257	23.3
72.99183	4.3
73.02821	3.8
74.03195	0.5
75.00749	22.8
83.01265	3.3
85.02827	31.1
85.99972	0.5
86.03159	0.6
87.00755	7.8
89.02312	3.0
95.01272	3.9
96.95887	0.8
97.02835	1.0
98.19760	0.8
98.20448	1.4
98.66118	0.4
99.00172	0.6
99.00761	6.9
101.02324	6.5
103.00239	0.7
111.00742	1.4
112.01569	0.8
113.02335	22.4
114.02641	0.6
115.00264	2.3
116.01006	0.5
117.01804	1.5
125.02321	1.3
129.01839	1.0
131.03365	0.5
137.02333	0.7
141.01881	0.4
149.13255	0.4
157.01323	1.1
157.12225	1.5
159.03056	0.4
161.04445	0.7
175.02411	1.5
425.36459	0.4
502.11346	0.5
505.33554	1.0
663.36084	1.0
681.36981	100.0
682.37323	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	681.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55600	0.8
55.01753	1.8
57.01174	0.8
57.03329	4.3
57.83113	0.8
59.00984	1.4
59.01252	13.7
63.32452	0.9
64.93084	0.8
68.99673	0.8
69.70264	4.8
69.70694	1.4
71.01256	23.8
72.99191	5.5
73.02827	4.0
73.94681	0.9
75.00755	20.9
83.01261	4.0
84.02045	0.8
85.02827	27.9
87.00755	6.9
89.02319	4.1
95.01273	4.1
96.95899	1.3
97.02799	1.1
97.98421	0.9
99.00767	6.9
101.02318	6.5
108.02106	0.7
111.00777	1.4
113.02333	24.1
115.00243	1.6
117.01789	1.4
119.03442	0.9
125.02353	3.6
129.01849	1.9
130.87123	0.8
138.82806	0.8
151.03700	0.8
156.11652	0.8
157.01295	2.1
169.01387	1.1
171.82564	0.8
175.02412	1.4
177.01817	1.0
191.01926	1.4
206.06351	0.8
209.02861	1.2
278.52209	1.2
477.15680	1.5
505.33688	1.1
521.83398	1.0
681.37067	100.0
682.37280	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	681.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	3.9
58.00476	1.8
59.01252	45.6
63.40038	1.4
68.99706	1.8
69.03352	1.7
69.71767	7.0
71.01257	36.7
71.21928	1.4
72.99194	7.2
73.02835	3.1
75.00745	17.3
81.03333	1.5
83.01274	2.6
85.02828	29.5
85.03346	1.5
87.00758	12.4
89.02323	13.9
93.03316	1.8
95.01267	7.4
98.19846	2.0
99.00755	10.8
99.04411	12.2
101.02312	7.2
103.00237	3.2
107.04934	1.5
107.08531	3.0
108.02099	1.5
109.02830	1.8
109.06454	1.5
113.02335	39.4
115.00305	3.6
119.03355	3.1
119.04890	3.2
121.02879	2.9
121.06476	3.6
125.02364	7.9
129.01804	2.4
133.03012	1.5
137.02359	2.1
139.00323	1.5
149.02342	2.1
151.03893	1.5
157.01457	2.5
159.65289	1.5
163.03923	2.4
169.01384	2.0
175.02362	2.6
181.04933	1.3
189.12772	9.3
202.41902	1.7
207.13861	7.3
233.11823	1.5
249.06165	15.6
251.12982	5.5
255.06538	3.4
267.07199	51.4
268.07584	1.9
271.06213	3.1
291.11258	2.0
301.10818	4.9
325.16632	1.5
407.08862	1.6
457.20679	2.7
466.27145	1.7
501.19794	47.9
502.20056	4.8
519.20947	2.6
554.37164	1.3
681.26306	100.0
682.27045	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	681.349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.8
57.52990	0.4
59.01258	2.4
61.98703	0.6
64.58134	0.4
65.00206	0.7
71.01246	1.0
71.46514	0.4
71.46861	0.7
81.03329	5.1
82.03680	0.4
83.01234	1.2
89.02285	0.4
99.08030	1.7
101.05974	0.8
107.01263	0.5
123.08045	2.3
125.02344	5.3
125.05978	4.3
134.17804	0.4
136.05212	1.0
139.09198	0.4
141.09114	0.5
147.08032	0.6
149.02277	0.6
151.00258	0.7
152.00996	0.8
158.19197	0.4
163.07507	0.6
165.01924	0.5
165.09128	28.1
166.09438	1.3
169.09468	0.4
191.07057	0.6
193.08664	0.5
198.11554	0.4
207.10100	0.5
209.08142	100.0
210.08476	6.3
215.07121	0.7
223.09715	1.0
233.08159	14.9
233.15480	0.4
234.08470	0.9
251.09198	3.8
252.09801	0.4
263.09308	0.9
275.09323	0.6
338.80841	0.4
615.76678	0.4
681.35107	4.2
682.35522	0.8
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
57.03325	3.9
57.11172	1.6
58.00468	2.1
59.00991	2.8
59.01258	37.0
59.30065	1.5
62.27656	1.6
62.39560	1.6
71.01255	26.9
72.99185	9.0
73.02820	2.8
75.00756	11.5
83.01270	3.3
85.02830	16.7
87.00742	6.8
89.02315	12.5
93.03369	2.0
94.02896	2.6
95.01263	4.2
99.00757	7.7
99.02941	1.7
99.04382	7.0
101.02342	6.7
101.31760	2.0
103.00250	3.5
105.18845	1.7
109.02876	2.0
113.02337	19.7
117.01867	2.3
121.02898	1.9
125.02351	4.1
129.01820	3.9
137.02467	1.9
138.05602	2.2
142.12233	1.6
149.00874	4.0
149.04430	1.9
151.00305	3.6
155.09735	1.8
169.01395	2.2
175.02518	1.9
175.03944	3.5
179.73256	2.0
187.03719	1.7
201.01903	3.4
207.13857	10.1
227.03328	2.2
249.06096	9.7
251.12849	9.4
255.02936	3.8
267.07166	5.8
269.07407	1.7
271.02478	8.3
271.05975	3.0
283.09802	2.4
300.02823	16.2
301.03616	10.7
307.10641	2.1
308.11349	2.9
325.16672	2.9
430.17407	2.4
433.14935	5.2
448.18701	3.5
483.18750	3.3
492.17691	13.0
501.19806	54.0
502.20026	7.1
524.20605	18.5
524.28564	2.5
525.20764	2.1
637.14264	12.5
681.26099	100.0
682.26233	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	681.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	0.1
57.03320	0.1
59.01253	2.0
69.03313	0.1
71.01259	1.7
71.60137	0.2
73.02808	0.5
75.00726	0.2
83.01236	0.2
85.02818	1.0
89.02311	0.5
93.03349	0.1
95.01280	0.2
96.95851	0.1
99.00763	0.2
101.02338	0.9
102.83440	0.1
109.02834	0.3
113.02342	0.9
119.04935	0.2
121.02832	1.2
123.00777	0.6
123.04395	0.5
124.01563	1.7
125.02333	6.5
126.02654	0.3
135.04414	2.7
136.05209	0.4
137.02342	0.3
143.03470	0.1
146.03625	0.2
147.04401	0.2
148.01588	0.9
149.02350	5.0
149.06036	0.7
150.03047	0.3
151.03877	0.2
152.00987	0.1
159.02859	0.1
161.02385	0.3
161.04465	0.9
161.05995	0.6
163.03918	4.6
164.04695	4.5
165.05093	0.1
167.03426	0.1
169.01418	0.2
177.05481	0.3
185.05994	0.1
187.03854	0.1
197.06052	0.3
209.05991	0.2
211.04167	0.1
213.05652	0.2
214.06288	0.3
224.04738	0.3
225.05461	0.7
226.06267	0.4
229.08693	0.6
237.05519	0.2
238.06308	0.4
239.07137	0.3
241.04973	0.3
242.05930	0.6
252.04286	0.4
253.05025	2.6
254.05820	1.6
255.02943	0.6
255.06226	0.3
257.08115	0.6
267.06696	0.4
268.03955	0.2
268.07361	0.9
269.08179	28.9
270.05316	9.0
270.08472	2.2
271.05719	0.8
283.06070	0.3
283.09579	0.2
284.06937	0.2
285.07675	26.2
286.08038	2.2
300.10022	22.2
301.10336	1.7
315.12378	100.0
316.12698	8.5
329.09207	0.1
459.16614	4.5
460.16953	0.6
477.17657	6.8
478.11801	0.1
478.17551	0.7
519.18738	2.7
519.31232	0.2
520.19348	0.4
577.19183	0.2
681.25000	0.2
681.36920	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95682	0.8
61.86681	0.9
61.98705	100.0
65.69202	0.8
76.05767	1.0
78.82329	0.9
81.03351	3.5
83.01294	1.1
85.06495	1.2
87.04345	1.3
90.27365	1.0
103.60349	0.9
109.06484	2.0
111.04440	2.9
125.02341	4.3
149.02321	1.5
151.07552	30.4
175.00327	1.2
191.07088	1.2
195.06566	84.9
196.06909	3.1
209.08058	2.2
219.06573	18.4
220.06946	1.4
237.07687	7.8
249.07675	2.0
261.22208	0.9
275.77045	1.1
617.33337	24.2
618.33716	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	681.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	2.1
59.01252	43.3
60.16872	0.8
68.05659	0.7
69.50869	6.5
71.01258	4.1
72.99174	13.7
77.65829	0.7
85.02835	2.2
89.02293	1.4
99.00763	1.5
101.02322	1.4
108.02028	1.8
109.02816	0.9
113.02345	2.6
117.03355	1.0
119.04918	100.0
120.05262	3.4
121.02829	1.5
124.02867	0.8
125.02311	1.1
135.07977	0.9
137.09618	4.1
145.02859	2.8
152.01074	2.5
153.21262	0.8
162.03088	1.5
163.03915	61.5
164.04214	2.7
167.03471	5.3
167.76170	0.8
179.10698	2.4
181.08649	3.7
197.11757	12.5
201.37602	1.0
205.05103	1.1
223.09642	1.1
241.10796	9.3
247.61211	0.8
431.11929	2.3
439.12421	7.7
440.12869	0.9
457.13492	22.7
458.13901	2.2
619.23749	1.1
621.22089	1.4
663.22974	1.2
681.24054	57.2
681.36609	4.3
682.24261	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	679.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.1
57.03336	1.8
57.51483	0.9
58.00461	0.9
59.01254	36.4
69.03327	2.1
71.01254	33.7
71.08013	1.3
71.08341	1.4
71.63644	0.8
72.99174	3.3
73.02831	5.5
75.00730	1.3
81.03336	1.3
83.01273	4.5
85.02813	7.5
87.00755	8.1
89.02321	27.1
95.01279	2.0
97.02828	6.6
98.20396	0.8
99.00784	1.7
101.02324	26.9
113.02347	11.3
115.03891	0.8
115.88943	0.8
119.03391	10.5
125.02343	11.8
131.03391	1.4
133.05003	0.9
139.03842	1.0
143.03384	5.0
149.04532	1.5
161.04488	6.5
179.05537	4.6
217.07184	1.5
221.06660	2.1
225.17241	0.9
235.08202	13.1
253.09248	3.1
263.07809	1.1
277.09189	1.1
281.24854	100.0
282.25168	8.3
287.07758	3.5
305.08810	3.7
323.09918	1.1
394.37891	0.9
397.13492	67.2
398.13812	5.6
415.14587	27.3
416.14853	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.1
57.03319	1.2
58.00475	2.0
59.01253	35.9
62.00595	0.4
67.13953	0.5
68.99696	0.6
69.03315	1.8
71.01256	33.9
72.01571	0.4
72.99184	3.5
73.02826	5.8
75.00753	0.7
81.03320	1.3
83.01266	3.3
85.02349	0.6
85.02824	7.7
87.00754	8.5
89.02322	28.0
90.02626	0.7
95.01266	2.1
97.02834	6.0
99.00756	1.8
101.02328	26.9
102.02627	0.8
103.00245	0.5
109.02832	1.0
111.00789	0.6
111.04362	0.8
111.39841	0.4
113.02335	14.0
115.03896	0.5
119.03400	10.8
121.02837	0.7
123.04409	0.5
125.02347	11.9
131.03368	1.3
133.04985	0.7
139.03932	0.8
142.39761	0.4
143.03404	6.0
147.48004	0.4
149.04454	0.9
161.04471	6.6
167.03433	0.6
171.02966	0.4
179.05533	5.3
185.04370	0.8
186.44089	0.5
199.06049	0.6
217.07115	1.0
221.06570	2.2
229.72292	0.5
235.08202	14.4
236.08600	0.7
245.06645	1.0
253.09383	3.7
263.07724	1.4
277.09100	0.9
281.24869	100.0
282.25220	9.3
287.07675	2.8
295.26392	0.8
305.08719	4.1
323.09863	1.6
329.92224	0.5
361.11270	0.6
376.17014	0.5
379.12363	1.2
397.13516	71.5
398.13858	5.6
415.14603	28.5
415.18857	0.4
416.15164	1.9
420.02487	0.4
495.04529	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.3
57.03313	1.7
58.00471	2.1
59.01255	39.3
68.99664	0.5
69.03332	2.6
69.03633	0.5
71.01258	38.8
72.01607	0.7
72.99181	3.9
73.02450	0.5
73.02826	6.2
75.00751	0.7
78.95810	0.4
81.03337	1.3
83.01260	4.8
85.02831	8.9
87.00758	10.2
89.02322	32.3
91.03900	0.6
95.01259	2.9
95.04919	0.5
97.02831	6.0
99.00727	2.1
101.02328	33.2
102.02670	0.8
111.00793	0.6
111.04375	1.1
113.02336	14.0
114.02695	0.7
115.03903	0.5
119.03399	10.4
121.02837	0.7
124.01588	0.8
125.01434	0.8
125.02348	13.8
126.02721	0.5
131.03432	1.0
133.04953	1.1
139.03911	1.3
139.74893	0.5
140.93448	0.5
141.01814	0.6
143.03406	6.6
149.04469	1.2
152.99475	0.6
161.04475	6.5
165.26729	0.5
167.03391	0.5
170.90083	0.5
171.02895	0.6
171.90797	0.5
179.05539	5.5
185.04385	0.7
199.06123	0.6
209.08177	0.6
211.30669	0.4
217.07140	1.2
221.06589	2.2
235.08202	14.1
245.06688	0.8
253.09283	3.8
263.07687	1.9
265.85413	0.4
277.09317	0.9
281.24863	100.0
282.25201	9.1
287.07739	3.5
305.08704	3.4
323.09836	2.3
361.11371	0.6
379.12360	1.0
397.13507	74.2
398.13824	6.1
415.14578	31.4
416.14975	2.1
554.44678	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.2
57.02530	0.9
57.03318	4.1
57.54757	0.8
58.00463	1.2
59.01252	47.5
60.01585	1.1
68.99689	2.1
69.03336	1.7
70.50245	0.8
71.01257	39.8
72.99191	7.2
73.02822	3.6
75.00310	1.0
75.00747	20.4
81.03332	1.4
81.26029	0.8
83.01258	2.4
83.04914	1.7
85.02824	34.1
86.03170	1.1
87.00761	10.2
89.02326	14.6
91.03899	0.9
91.40895	0.8
93.03322	1.2
95.01268	7.1
98.81395	0.8
99.00748	13.8
99.04394	2.6
99.58892	0.8
101.02331	6.4
103.00281	1.9
108.02080	1.3
109.02838	0.9
111.00718	1.8
111.04391	1.0
113.02335	43.5
115.00248	2.3
117.01801	2.3
119.03421	1.3
124.05187	0.8
129.01834	2.0
131.03397	1.8
135.04478	1.3
152.01051	1.9
157.01341	1.3
161.09669	1.1
161.13281	9.8
175.02469	2.2
187.11194	4.7
191.88397	0.9
193.04868	1.1
205.07097	1.1
205.12260	9.1
207.05011	1.6
229.73413	1.2
231.04994	1.6
247.42986	0.9
249.06113	21.2
249.08556	1.5
249.11230	3.1
250.06429	1.0
267.07202	62.9
268.07623	3.0
279.21564	1.0
299.05707	1.4
323.14865	1.0
335.12711	1.5
343.08984	1.0
437.18045	1.6
455.19260	17.0
456.19745	1.9
481.17365	1.6
499.18204	56.5
500.18488	7.5
517.19403	11.4
518.19440	2.1
661.23486	1.2
679.24530	100.0
680.24854	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	679.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.8
57.03308	1.5
58.00462	1.2
59.01252	34.0
60.07158	0.7
69.03320	3.0
71.01254	36.2
71.21967	1.4
72.26390	0.8
72.99171	3.7
73.02826	5.0
75.00729	0.9
78.95767	2.5
81.03310	2.4
83.01258	5.5
84.78667	0.7
85.02831	6.4
87.00752	8.0
89.02312	26.5
92.63489	0.7
95.01257	2.8
97.02820	5.2
99.00754	2.4
101.02316	26.7
102.02657	0.8
111.04372	1.2
113.02323	13.6
119.03376	8.7
125.02346	12.5
129.97295	0.7
131.03381	0.9
136.49269	0.8
139.03966	0.9
143.03400	6.4
144.94827	0.6
146.32156	0.7
149.04425	0.9
152.99501	1.2
161.04463	6.9
167.03423	1.4
177.10300	0.7
179.05545	5.6
217.07162	0.8
221.06592	2.5
235.08189	12.1
245.06882	0.9
253.09218	4.9
263.07813	1.4
277.09402	0.9
281.24847	100.0
282.25192	6.7
287.07751	1.7
305.08719	2.4
323.09915	1.1
379.12332	1.4
397.13498	69.7
398.13776	5.0
415.14563	26.7
416.15005	1.4
563.04590	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.4
57.03319	3.3
57.85619	1.2
58.00481	1.1
59.01252	52.6
62.12737	1.2
67.01752	1.0
68.99685	2.2
71.01257	40.2
71.18481	3.1
72.99185	9.0
73.02809	1.3
75.00750	19.3
80.28542	1.1
83.01273	2.2
85.02824	33.5
85.22527	1.0
87.00748	10.6
89.02317	15.5
91.03876	2.6
93.03352	1.5
95.01270	7.7
95.31086	1.1
97.02831	1.2
99.00750	11.8
99.04364	1.6
101.02329	4.9
103.00209	2.7
113.02332	41.9
115.00233	2.4
117.01800	2.6
119.03402	3.0
129.01816	2.4
139.41573	1.1
161.13258	9.9
166.23553	1.0
175.02385	3.6
187.11174	4.6
187.12639	1.0
205.07141	1.7
205.12282	10.5
207.05043	3.3
228.46550	1.2
231.05115	1.6
249.06171	21.9
249.11404	2.1
267.07214	66.1
268.07504	3.4
273.12399	2.1
302.44223	1.2
323.14807	2.3
335.12482	7.6
344.09622	1.2
455.19220	16.8
456.19263	1.4
481.17719	1.5
499.18240	40.2
500.18576	4.1
679.24554	100.0
680.24866	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	677.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	55.3
71.57776	0.9
71.58215	1.3
78.95772	2.0
81.03330	8.4
83.04901	16.8
85.25995	0.9
94.78133	1.0
96.95908	6.7
97.77535	1.0
101.80995	1.0
125.02298	1.0
159.19705	0.9
197.11766	0.9
199.74753	0.9
209.11784	1.6
225.16005	3.6
231.09995	1.7
249.11070	8.4
250.11438	1.1
327.21658	3.2
329.23178	2.3
351.21545	1.0
359.42804	1.0
390.31067	1.8
391.29715	7.4
490.39755	1.4
533.40540	2.6
571.63684	0.9
599.45746	1.6
617.46454	100.0
618.46844	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	677.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40223	0.2
57.03333	1.6
58.00473	0.2
58.02842	0.4
59.01250	4.0
69.03311	0.2
71.01250	4.3
71.59024	0.2
72.99170	0.5
73.02827	0.9
75.00747	0.6
80.04929	0.4
81.03333	8.8
83.01250	0.5
83.04895	22.3
84.05230	0.6
85.02825	2.0
85.47170	0.2
87.00743	0.7
89.02319	1.1
95.01219	0.3
95.04932	0.2
96.95879	0.4
98.10361	0.2
99.00733	0.7
100.07528	0.4
101.01681	0.2
101.02311	1.9
103.61941	0.2
105.03336	0.5
107.06025	0.4
108.04430	0.5
109.02863	0.3
110.06060	0.2
113.02334	2.1
114.09144	0.2
119.03379	0.7
119.04916	0.5
125.02335	7.7
125.03240	0.4
125.07095	1.8
126.05501	0.5
137.02313	0.7
143.08134	0.8
145.02814	0.3
147.04362	0.2
147.55974	0.2
149.02350	0.3
150.03189	0.3
151.03906	0.3
159.02911	0.3
161.02370	3.0
161.04434	1.4
163.03964	0.6
165.01794	0.3
165.05540	0.2
166.12439	0.2
169.01384	0.3
177.01819	0.2
177.05383	0.2
179.05530	0.3
186.71162	0.2
187.11232	0.5
193.05043	0.3
199.18073	0.2
201.05515	0.3
205.12259	0.6
207.15013	2.0
209.15341	0.3
210.05276	0.2
224.17632	3.8
225.07635	0.4
225.16040	15.4
226.16370	0.7
242.18637	1.0
249.11298	1.1
250.15517	0.2
263.15009	0.3
267.07202	0.4
268.16608	0.2
269.04553	0.4
287.05548	0.4
290.22299	0.5
291.20673	0.2
309.22009	1.0
324.26566	0.7
333.23053	1.1
341.29153	1.5
350.24490	0.2
351.24008	0.3
367.27011	1.0
371.20688	0.6
385.28195	0.4
429.17676	0.9
433.31879	1.6
450.34497	2.0
451.32895	7.3
452.33069	0.6
468.35931	0.2
476.32745	0.2
477.79501	0.2
531.20752	0.3
550.43787	0.9
559.39984	0.4
565.44202	0.4
593.44006	0.7
623.96545	0.2
633.27753	1.4
634.27325	0.4
659.48804	1.5
677.49658	100.0
678.49957	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	677.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.8
57.03316	1.2
58.00456	2.0
59.01252	38.2
66.00061	0.4
66.03280	0.4
69.03333	2.3
71.01255	38.5
71.58975	0.8
72.99181	3.0
73.02814	5.3
75.00745	0.7
77.63368	0.4
78.95770	1.3
81.03332	2.2
83.01261	4.0
85.02820	8.2
87.00755	7.6
89.02319	29.5
91.03867	0.7
95.01259	2.5
97.02827	5.3
99.00748	1.8
99.04436	0.5
101.02324	28.7
101.48236	0.4
101.79829	0.4
109.02814	0.8
111.00790	0.5
111.04409	1.2
113.02331	15.1
115.03862	0.5
119.02573	0.7
119.03395	9.6
121.02859	0.7
123.08072	0.5
125.02336	13.2
125.06020	0.6
131.03383	1.6
133.04970	0.7
137.02312	0.6
139.03909	1.3
143.03418	6.3
149.04428	1.0
152.99393	0.5
161.04472	6.5
165.09134	3.5
167.03375	0.6
179.05565	5.6
179.07004	0.8
185.04398	0.5
203.05614	0.4
209.08134	7.6
210.08417	0.7
217.07156	1.1
221.06590	1.6
225.07599	2.0
233.08220	0.9
235.08208	13.2
245.06638	0.7
251.09320	0.8
253.09270	3.6
261.22235	0.5
263.07635	1.1
277.09177	0.8
279.23288	100.0
280.23636	7.9
287.07840	2.6
305.08762	3.4
323.09766	1.5
361.11179	0.5
379.12527	1.3
397.13489	64.8
398.13800	4.5
415.14584	30.5
415.18872	0.4
416.14951	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	677.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60658	0.4
55.01746	1.3
56.31392	0.4
57.03317	1.0
58.00457	1.7
58.55986	0.4
59.01254	36.2
59.96251	0.4
61.70008	0.4
61.98723	0.9
69.03333	2.4
71.01257	33.3
71.58488	0.5
72.99178	2.9
73.02821	5.4
75.00747	0.7
78.75928	0.5
78.95787	3.1
81.03327	1.6
83.01258	5.1
83.04864	0.7
85.02832	7.7
85.99949	0.6
87.00755	7.5
87.04424	0.5
89.02321	29.9
91.03880	0.8
93.03320	0.7
95.01274	2.6
96.96859	0.5
97.02826	5.8
99.00761	2.9
99.04389	0.6
101.02327	27.1
103.00228	0.6
111.04423	0.8
113.02336	13.2
115.03861	0.8
119.02562	0.8
119.03397	9.8
121.02822	0.6
125.02352	11.4
131.03403	1.9
133.04980	1.4
136.14160	0.4
139.03931	0.9
143.03419	6.3
149.04469	1.0
152.99541	3.2
161.04477	7.1
167.03383	0.7
169.05019	0.5
171.02905	0.5
171.96432	0.4
179.05545	5.4
185.04535	0.9
209.08215	0.6
209.26421	0.4
211.13419	0.4
217.07117	1.2
219.05078	0.5
221.06622	2.7
235.08194	12.8
235.10419	0.9
241.01036	0.5
245.06610	0.8
253.09294	3.8
258.93265	0.5
263.07736	1.5
277.09366	1.0
277.21695	0.7
279.23294	100.0
280.23630	8.2
287.07712	2.3
293.21118	0.6
293.24902	0.6
305.08749	3.2
323.09888	1.6
379.12396	1.0
397.13513	66.5
398.13937	4.7
415.14594	28.4
416.14798	2.1
585.96527	0.5
595.28821	3.3
650.15704	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13011	1.9
59.01256	3.7
61.98701	3.0
71.58759	3.7
78.95778	100.0
79.71651	1.9
96.96833	7.3
105.79479	2.0
152.98320	3.4
152.99503	54.2
183.73755	2.0
195.13872	12.5
201.11269	11.6
209.11784	21.6
210.12123	2.2
211.13338	11.2
277.21625	9.3
295.22784	32.1
296.23062	3.4
329.30850	2.1
363.12042	4.1
381.13092	5.1
385.64706	2.2
408.95392	2.3
431.22052	16.6
435.22333	1.9
449.23294	5.2
482.96115	2.2
633.34113	4.6
659.35504	25.7
660.35754	3.1
677.36536	36.4
678.36700	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	677.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02853	4.8
59.01250	2.5
69.33012	0.9
70.02845	5.8
71.01247	1.6
72.00793	1.7
72.04417	1.4
74.02344	27.2
75.32783	0.9
85.02822	2.6
96.95894	0.9
98.02346	7.1
98.19763	2.2
116.03435	10.1
116.04946	9.9
119.04893	0.9
125.02318	3.0
137.02371	1.1
142.06522	2.3
151.00204	1.3
159.09172	2.3
165.01837	1.1
180.04199	1.3
201.10313	2.6
203.08200	32.5
204.08525	1.3
211.07726	1.2
245.09277	100.0
246.09631	5.4
249.06255	1.2
267.06842	1.0
306.51480	1.1
327.08716	1.6
387.13031	2.3
445.60352	1.1
677.22455	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.6
59.01254	8.6
61.39639	0.6
69.03317	1.9
69.11592	0.6
70.72594	1.6
70.72960	1.3
70.92215	0.6
71.01260	6.4
73.02809	4.1
83.01243	1.4
85.02818	1.7
89.02302	1.8
92.54555	0.7
95.01298	0.7
99.00758	8.2
99.04398	2.8
101.02322	2.2
113.02354	1.5
123.08028	2.6
125.02331	3.6
131.03387	0.8
133.06458	1.1
135.08058	2.6
143.22406	0.7
149.09605	1.0
151.07523	0.8
151.11101	0.7
153.09114	0.9
167.03487	1.0
169.01393	1.7
175.11208	1.5
191.14308	4.6
203.14308	1.1
218.00989	0.7
219.05191	0.7
221.63483	0.7
231.17462	1.0
233.15685	0.8
235.13316	0.9
245.15332	0.8
255.17574	2.0
273.18759	1.7
295.11838	1.2
301.18069	1.3
303.19809	0.8
347.18497	1.3
365.19760	11.2
366.19879	1.6
383.20743	17.4
384.20956	1.6
395.34003	0.6
447.82855	0.7
451.03915	0.7
463.56500	0.7
545.25934	10.7
546.26733	1.4
618.94141	0.7
676.70648	0.8
677.30237	100.0
678.30634	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	677.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02862	5.0
59.01241	1.6
70.02856	6.3
70.47432	0.7
71.01250	0.9
71.57821	1.0
72.00787	1.6
72.04440	1.2
74.02347	38.5
75.02686	0.7
81.15816	0.7
85.02832	0.8
90.97068	0.7
96.95914	1.1
98.02351	8.4
116.03431	9.1
116.04926	13.0
119.97322	0.7
121.02777	0.7
125.02320	7.3
130.06471	1.6
132.44530	0.8
137.02377	1.2
142.06548	3.0
159.09218	2.8
169.01295	1.6
183.09166	0.9
186.05504	1.0
201.10202	3.2
203.08194	39.3
204.08553	1.7
225.12080	0.8
245.09273	100.0
246.09605	6.9
280.70441	0.7
300.27475	0.8
540.35022	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55458	0.8
56.39216	0.9
59.01249	8.3
59.57955	0.8
61.97170	0.9
61.98679	0.9
70.19218	3.8
71.01255	5.8
73.02818	1.7
78.95778	67.0
85.02795	1.4
87.00760	0.9
89.02331	4.9
96.96835	10.7
97.02807	1.2
101.02317	4.7
111.79676	0.8
113.02323	3.0
119.03410	1.3
125.02328	2.9
152.99490	85.6
161.04448	1.2
171.00517	2.0
171.89848	0.9
178.95952	1.8
179.05563	1.0
208.38054	0.9
211.13330	1.7
223.00124	7.8
225.34952	1.0
231.98131	0.9
235.08173	1.1
241.01151	21.4
241.08551	2.3
253.09412	1.1
259.02393	1.6
279.23288	78.5
280.23712	5.3
280.99088	2.3
315.04941	9.7
333.05981	1.5
355.02939	5.3
397.13574	11.1
415.14468	4.4
426.57507	1.0
501.22968	1.0
561.23120	1.0
595.28876	100.0
596.29065	13.4
617.26233	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.4
59.01249	7.4
71.01260	4.3
73.02801	1.3
75.00742	3.2
77.34412	0.9
85.02820	3.0
87.00697	1.1
89.02317	1.5
95.23920	0.9
96.95893	2.9
98.20493	2.2
98.95476	1.8
99.00751	1.4
101.02314	2.0
109.02872	1.1
113.02328	3.0
123.04389	1.1
125.02302	5.6
134.03682	1.2
137.02335	1.5
145.02884	1.4
149.06013	1.1
165.01822	1.1
169.01305	2.9
179.03387	1.3
188.04704	1.8
193.05000	1.7
195.04379	2.0
211.03944	2.0
216.04185	1.5
229.20381	1.2
239.03456	17.2
240.03940	1.1
253.05005	1.2
254.05817	14.7
257.08185	6.1
267.03012	6.6
271.06180	2.7
282.05334	60.7
283.05838	4.5
289.06927	1.2
297.07663	100.0
298.08011	8.2
301.07080	2.1
310.24243	1.2
328.46545	1.0
405.08221	4.0
515.11957	2.1
525.20441	2.1
591.17151	2.1
633.18176	6.2
677.33972	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	677.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.5
57.03322	0.8
59.01244	2.1
69.03334	0.7
69.71308	1.7
69.71733	1.0
71.01258	2.2
72.99184	33.2
73.02812	0.4
75.00739	0.7
80.48276	0.4
85.02817	2.9
87.00730	0.4
89.02328	0.7
90.49950	0.3
93.03352	1.1
95.01262	0.5
96.95917	0.4
98.19945	1.0
98.20525	0.6
99.00756	0.8
101.02348	0.6
111.00808	0.6
113.02326	5.8
117.03345	1.6
119.04919	100.0
120.05246	3.5
121.02846	1.4
123.04430	0.5
125.02299	0.9
129.25902	0.3
131.03432	0.8
132.05779	0.5
133.06497	1.0
134.03636	0.6
137.02383	0.5
145.02866	4.5
147.04320	0.4
149.02351	0.6
159.04474	0.4
162.03166	2.5
163.03922	75.2
164.04311	3.0
177.01791	0.4
177.05550	0.8
203.03499	0.4
205.05072	0.7
219.06592	0.7
223.06105	3.4
237.07657	7.8
258.91699	0.4
277.07196	3.3
282.05304	0.4
284.19809	0.4
307.08258	1.6
325.09320	1.3
337.09375	0.4
358.80032	0.4
367.10526	0.5
381.08405	0.4
414.56110	0.4
439.12436	28.9
440.12683	2.6
609.61084	0.5
633.27606	0.7
677.21014	7.2
677.33893	2.9
678.21655	1.0
688.09833	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	5.5
59.01256	33.3
64.40661	0.9
68.46563	0.8
71.01265	5.4
71.60490	0.8
71.60920	1.6
72.99193	3.0
75.00764	3.2
75.01346	0.8
81.03342	1.0
83.01252	2.4
85.02834	6.9
87.56806	0.9
89.02330	1.0
99.00759	1.6
101.02331	1.2
108.02082	1.2
109.02841	4.2
111.00780	3.8
113.02336	3.3
119.03407	1.0
121.02835	1.6
122.06007	1.0
123.04411	2.7
124.03973	1.1
125.02345	42.6
126.02681	1.0
134.03658	3.6
135.04385	1.1
137.02327	5.2
145.02873	10.7
146.03548	1.1
149.02341	3.4
149.06017	1.3
151.00279	1.0
151.03917	1.4
152.00998	0.9
159.04492	7.0
161.02423	1.7
161.06041	2.6
165.01842	3.3
167.03398	1.8
169.01337	2.5
174.03185	1.6
175.04016	1.2
178.02678	1.2
179.03464	1.2
183.04381	2.1
185.06065	4.3
187.03918	9.5
188.04729	28.4
190.02634	2.6
193.05046	3.2
195.06738	1.1
201.05507	1.3
202.02695	1.3
203.03503	1.6
203.07097	4.6
209.06004	1.6
209.11714	2.4
211.04001	1.3
211.07549	1.9
213.05542	2.7
215.03450	5.7
216.04234	13.0
217.01450	1.2
219.02957	2.5
220.03799	3.1
225.05594	1.5
225.07640	1.0
227.03419	1.2
227.07098	4.3
229.05107	2.0
229.08687	21.5
230.02205	1.8
230.08957	1.0
231.03078	1.7
235.04201	1.1
239.07118	9.7
241.04910	1.7
245.08281	1.5
253.05064	12.4
255.06625	2.9
257.08194	100.0
258.08472	5.7
271.06140	30.3
272.06424	2.1
283.06094	2.6
289.07159	7.4
295.10147	1.0
301.07175	20.0
302.07468	1.7
337.10602	1.2
345.06165	10.9
403.13290	1.0
405.08295	43.2
406.08679	4.2
423.10745	2.5
467.09958	4.0
469.13684	1.9
515.20929	2.6
527.12000	2.0
555.12762	2.8
556.13440	1.2
573.13965	4.5
617.12683	1.5
675.75781	0.9
677.21948	1.2
677.33813	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	675.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97342	1.3
57.03308	1.9
59.01245	8.4
59.82941	1.2
60.99150	1.3
61.98699	1.6
71.01268	9.5
71.58914	1.5
78.95789	1.6
83.01238	1.6
83.04900	3.6
85.02830	5.7
87.00734	2.4
88.98689	3.7
89.02325	5.0
95.24615	1.2
96.95896	3.5
101.02309	6.4
101.65147	1.2
109.06424	1.2
113.02328	5.7
121.02853	1.9
123.02497	1.3
125.02341	4.2
125.09607	2.7
127.11158	2.6
137.02284	1.3
138.73941	1.3
161.04446	3.1
163.11186	3.6
165.01849	1.4
165.12720	4.4
169.01349	1.8
169.12268	1.4
171.10225	6.8
183.13820	13.5
185.11829	3.2
193.12364	2.3
197.11758	3.9
199.13286	3.1
201.09523	2.7
201.11255	29.1
209.10228	1.5
209.11766	71.9
210.12126	9.2
211.13350	100.0
212.13678	5.7
225.11369	3.1
227.12833	13.4
228.13170	1.7
235.08151	4.8
253.09293	12.6
299.02005	2.8
437.20636	1.9
447.22461	7.0
460.46225	1.8
463.21890	4.2
510.45599	1.5
513.26880	1.8
631.34198	2.2
639.33527	1.2
657.33820	1.8
675.35779	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	675.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46385	0.3
52.21943	0.3
57.03331	2.7
59.01247	3.8
65.47256	0.2
65.78409	0.2
67.11906	0.2
69.03321	0.8
69.30314	2.9
71.01263	0.6
71.04887	3.2
72.99176	0.3
73.02821	0.4
78.95770	2.9
81.03341	0.6
83.04897	2.3
84.02036	0.3
85.06473	1.4
87.04389	0.9
89.02307	1.7
91.03882	11.7
95.04872	0.6
96.96855	0.4
97.06469	1.2
98.19800	0.4
109.06486	2.7
111.04424	1.8
111.08044	1.1
112.05205	0.3
127.07542	0.8
149.09642	0.4
152.99529	1.6
161.13293	0.3
167.10620	1.3
169.12263	0.4
171.10252	0.4
177.12778	0.8
179.10674	0.8
179.14340	2.6
181.12271	0.9
189.16295	0.3
193.15981	0.3
195.13835	13.9
196.14116	0.8
205.12242	1.1
211.13345	0.5
217.15918	0.8
221.15417	9.7
222.15799	0.8
223.13341	6.3
224.13756	0.3
229.19585	0.5
233.15408	1.1
235.17024	1.0
239.16481	3.2
247.20621	1.7
251.16487	0.9
273.18497	1.8
277.21674	0.3
281.21133	0.7
291.19666	32.6
292.20035	2.5
295.22833	0.3
309.20709	100.0
310.21060	8.1
326.81815	0.3
383.24530	0.4
456.63205	0.3
491.87491	0.3
557.86298	0.3
601.41125	2.6
602.41132	0.6
645.37006	0.3
671.95581	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37537	0.3
55.01769	1.9
56.34837	0.3
57.03317	1.3
58.00473	1.9
59.01251	50.5
60.01586	0.3
61.98694	0.5
63.59945	0.3
68.99687	0.4
69.03326	2.5
71.01254	41.1
72.99190	2.5
73.02818	6.5
75.00758	1.0
78.95787	1.4
81.03327	1.7
83.01254	5.1
85.02823	8.6
85.99948	0.5
87.00750	11.1
89.02317	35.7
90.02704	0.5
91.03876	0.5
93.03309	0.4
95.01260	3.2
97.02829	7.1
99.00759	2.2
99.04398	0.8
101.02322	35.3
102.02670	0.6
103.00264	0.4
103.03870	0.6
109.02841	0.7
111.00781	0.6
111.04412	1.3
113.02334	16.4
114.02668	0.4
115.03909	0.9
119.03394	10.8
119.04252	0.6
121.02810	0.8
121.42558	0.3
123.04428	0.5
124.01563	0.6
125.02333	14.9
127.03877	0.6
127.07544	0.5
129.01790	0.4
131.03407	1.7
133.04962	1.2
139.03938	1.7
141.01823	0.8
143.03409	6.5
149.04414	1.4
152.99487	0.9
157.04955	0.4
161.04466	8.8
167.03412	0.7
169.04932	0.5
179.05519	6.7
179.06956	0.5
185.04477	0.9
199.06091	0.7
203.05498	0.7
217.07198	1.5
221.06628	3.1
229.28046	0.4
235.08194	15.7
236.08534	0.8
245.06676	0.9
253.09232	4.2
259.20593	0.7
263.07721	2.0
275.20129	0.7
277.09265	1.1
277.21710	100.0
278.22076	8.4
287.07773	3.2
291.23230	0.5
305.08798	3.3
323.09695	1.6
361.11465	0.6
379.12326	1.1
380.13287	0.3
397.13489	71.1
398.13852	5.7
415.14560	33.2
416.14951	2.4
593.26880	0.4
645.70148	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	675.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.7
57.03313	2.0
58.00453	2.4
59.01252	57.1
60.01591	0.6
68.99691	0.7
69.03315	1.5
71.01253	43.0
71.35682	1.1
72.01578	1.2
72.99176	3.6
73.02818	8.2
75.97298	0.6
81.03335	1.8
83.01260	4.4
83.35384	0.6
85.02824	9.7
87.00755	10.8
89.02319	41.7
91.03912	0.9
93.03362	0.7
95.01278	3.3
97.02837	8.1
99.00754	2.7
101.02325	39.4
102.02694	0.9
111.00816	0.6
111.04391	1.4
113.02330	18.6
115.03921	0.7
119.03389	12.0
125.02349	15.0
131.03433	1.5
139.03903	1.5
141.01765	0.9
143.03403	6.7
149.04451	1.0
161.04478	8.8
167.03445	0.8
179.05542	7.8
185.04439	1.3
199.06148	0.8
203.05463	0.8
217.07083	1.1
221.06639	3.0
222.42957	0.6
235.08167	15.7
245.06718	1.2
253.09245	3.9
259.20331	0.7
263.07700	2.0
269.97107	0.6
277.21725	100.0
278.22064	8.9
287.07867	3.5
305.08838	3.9
323.09784	2.8
345.93640	0.7
379.12515	1.0
383.89218	0.6
397.13495	79.1
398.13702	4.6
415.14569	37.4
415.18967	0.8
416.14978	2.0
433.55032	0.7
517.87146	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3522
Annotation	Dianthin C
Peak:m/z	Relative Intensity
51.69851	0.4
52.05094	0.4
54.15593	0.5
57.03338	0.5
59.01250	4.5
61.98698	0.7
71.01286	2.7
72.82105	0.4
78.95774	100.0
81.03384	0.4
85.02819	0.9
87.00756	1.2
89.02316	2.9
96.96847	5.8
97.02809	0.9
99.00742	0.6
101.02309	2.8
105.51636	0.5
113.02325	1.2
113.09587	2.7
119.03365	1.1
124.69627	0.4
125.02338	1.3
125.09641	0.6
134.98418	0.9
150.97919	0.5
152.99486	30.6
153.99867	0.6
161.04443	1.1
163.11205	0.5
165.12767	0.4
171.00609	0.4
171.10147	0.8
179.05365	0.6
181.12183	1.2
195.13869	2.8
199.13345	1.4
201.11208	2.2
207.10205	1.8
209.11800	3.5
223.00002	0.5
225.11290	3.1
226.11664	0.5
227.12773	0.8
231.62602	0.4
235.08199	1.3
241.01108	1.3
243.12328	1.3
277.18927	0.8
277.21725	11.8
278.22064	0.9
293.21243	9.9
294.21494	0.7
295.22803	7.4
296.22964	1.0
311.22418	0.8
314.80975	0.4
316.80643	0.4
361.10599	0.4
363.12070	2.0
379.11771	2.6
381.13196	1.3
397.13464	6.3
415.14447	2.9
429.20313	3.2
430.20303	0.5
431.22189	2.3
447.21417	2.1
449.22885	1.0
487.36575	0.5
593.27356	4.8
594.27826	1.3
631.32599	1.0
657.34045	5.5
658.34326	1.2
675.35046	20.2
676.35492	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	675.3513
Annotation	Dianthin C
Peak:m/z	Relative Intensity
50.89240	0.6
52.56874	0.6
53.33005	0.6
57.03318	0.7
59.01248	1.1
59.05355	0.7
61.98682	1.2
66.03300	0.7
71.00810	0.6
71.01235	0.9
71.21687	1.4
74.58992	0.6
78.95776	100.0
80.02509	0.6
83.04897	1.1
96.96840	6.9
99.00739	0.8
113.09595	2.8
116.49640	0.6
125.09665	0.8
127.11171	1.0
129.36090	0.6
134.98431	1.4
141.47409	0.6
146.46121	0.6
152.99495	40.4
155.10596	0.6
163.11264	0.9
171.10172	2.5
176.35641	0.6
181.12280	1.5
195.13838	2.6
197.11659	0.9
199.13275	1.9
201.11278	9.1
207.10179	2.3
209.11774	13.2
210.12137	1.0
225.11240	4.4
227.12939	3.0
243.12286	1.5
277.21667	3.8
293.21194	9.9
294.21301	0.8
295.22791	5.7
305.50244	0.7
311.22369	1.0
315.05176	0.9
337.10645	1.2
363.12158	8.2
379.11649	4.3
381.13138	6.8
397.12640	1.3
399.14368	1.0
429.20477	3.3
431.21854	2.5
447.21597	1.8
449.22943	1.3
465.22662	1.1
593.27106	4.6
631.32513	1.5
657.34052	8.3
658.34039	1.5
675.35089	26.3
676.35193	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	675.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60648	0.5
57.03308	0.7
59.01239	1.7
60.06409	0.5
61.44849	0.5
62.31065	0.6
67.01739	0.9
69.03332	1.3
71.01257	3.3
72.99168	0.5
74.71043	0.5
77.15459	0.6
79.01762	1.2
81.03339	0.5
83.01257	1.0
85.02814	2.1
85.68041	0.6
87.00748	0.6
93.03322	0.8
95.01255	1.7
96.99161	0.6
97.02823	1.9
101.02305	1.6
103.45847	0.5
105.46709	0.5
107.01273	12.4
109.02827	1.9
111.00768	2.7
113.02303	1.8
113.70817	0.5
121.02847	3.8
122.03658	3.9
123.00768	15.1
123.04417	0.9
124.01543	1.8
125.02343	58.1
126.02671	1.7
127.00249	1.4
132.50287	0.5
133.02863	0.6
135.04407	0.8
136.98659	2.1
137.02328	2.1
139.00278	4.2
139.03862	1.5
140.01045	3.9
141.01819	2.4
143.26372	0.5
147.04408	1.7
149.02385	1.4
149.06012	0.6
151.00296	9.9
151.03947	0.7
153.01839	1.2
161.02328	1.0
161.05911	0.8
165.05487	5.5
166.99651	0.5
167.03368	0.6
168.00577	4.9
169.01338	68.9
170.01720	3.1
177.01825	0.9
177.04147	0.7
179.03333	0.7
179.07016	2.3
181.04886	0.7
183.02928	5.3
191.92334	0.5
194.70367	0.6
211.02437	1.3
223.09639	0.6
241.03531	1.3
253.03468	1.1
297.06155	0.8
313.05652	16.7
314.05899	1.4
327.07257	1.6
346.14212	1.2
347.14923	3.4
361.16489	7.0
675.22906	100.0
676.23187	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4169
Annotation	CHEBI:67338
Peak:m/z	Relative Intensity
50.45201	1.3
54.98719	1.4
57.03333	4.5
57.88316	1.5
58.00475	4.1
59.01251	33.1
61.98706	5.3
71.01259	31.3
71.59438	2.8
72.99193	2.8
73.02845	4.5
78.95782	30.7
83.01274	2.2
83.04920	5.2
85.02824	8.2
87.00758	3.4
87.93914	1.3
89.02322	17.4
89.02824	1.8
95.01305	2.1
96.96844	3.2
101.02330	16.8
109.06512	4.1
110.45825	1.6
111.04416	3.3
113.02325	7.5
115.88867	1.5
119.03432	8.5
121.06468	3.3
123.08089	5.5
125.02350	20.7
126.03145	6.0
127.07589	2.2
139.07581	3.5
141.12807	4.2
149.05995	3.4
149.09669	5.9
152.04704	2.8
152.99493	13.9
161.04591	2.1
163.11157	6.9
165.12817	2.4
167.07130	3.7
171.10210	8.3
171.13890	6.5
172.10570	1.4
179.05594	4.0
181.12396	2.4
183.13910	6.0
193.08664	1.6
197.11845	2.9
199.13321	9.4
201.11334	6.2
207.10252	9.2
208.71330	1.6
209.11784	64.2
210.12221	5.1
211.13362	27.8
212.13890	1.9
215.13060	1.8
215.98972	1.7
225.11276	12.5
227.12831	30.2
227.15079	1.5
228.13417	1.9
235.08377	2.5
253.09264	7.4
267.15878	1.7
293.21292	3.5
299.26071	4.0
363.12479	1.7
379.11395	1.8
397.13364	1.8
439.34030	2.7
447.21649	1.8
451.34644	4.1
461.20065	1.9
463.21875	5.2
467.33786	10.0
469.35614	2.5
493.35474	4.8
637.32123	2.2
655.33276	5.3
656.33582	2.0
673.42249	100.0
674.33295	2.2
674.42645	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	673.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78372	0.3
52.68280	0.2
53.65406	0.2
59.01251	2.5
71.01257	1.8
71.45493	0.5
73.02818	0.3
80.02537	0.9
81.03323	1.0
83.01263	0.3
83.04895	4.9
84.02038	1.0
85.02824	0.7
87.00786	0.3
89.02306	1.3
89.27077	0.3
95.04903	1.0
97.06494	0.3
101.02326	1.8
109.62511	0.3
113.02343	0.9
119.03432	0.3
125.05942	0.3
125.09621	0.5
135.08037	0.8
161.04526	0.6
163.11208	3.6
164.11612	0.3
165.12723	2.3
171.10184	3.0
181.12250	0.6
191.10696	0.8
207.10132	0.3
209.11771	100.0
210.12108	6.2
221.11780	0.6
227.12845	12.5
228.13184	1.1
235.08165	1.6
239.12833	0.3
247.13388	1.6
253.09259	5.9
254.09700	0.4
265.14386	0.8
379.60953	0.3
401.23450	0.5
407.24493	0.3
445.20990	0.7
464.41830	0.3
611.30725	0.4
624.27618	0.3
637.32513	0.8
655.33472	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	0.2
59.01255	1.8
69.83009	1.5
71.01268	1.3
73.02824	0.5
80.02560	1.1
81.03336	0.9
83.04908	4.4
84.02042	0.8
85.02837	0.4
87.00755	0.3
89.02313	1.2
93.03310	0.4
95.04910	0.7
97.06452	0.3
98.20577	0.2
101.02332	1.6
101.57876	0.2
113.02321	0.7
125.05959	0.5
125.09624	0.5
135.08054	0.4
145.04874	0.3
149.09613	0.2
158.19942	0.2
161.04486	0.7
163.11215	3.5
164.11528	0.3
165.12778	2.6
171.10179	2.4
179.05440	0.2
181.12286	0.5
185.11758	0.3
191.10704	0.8
195.24619	0.2
209.11777	100.0
210.12114	5.5
221.11807	0.4
227.12845	12.7
228.13155	0.7
235.08211	1.5
247.13446	1.6
253.09250	5.3
254.09787	0.3
258.97525	0.2
265.14462	0.4
375.21964	0.3
401.23315	0.3
418.41046	0.3
419.24332	0.5
429.08978	0.3
445.20761	0.5
471.38425	0.3
611.30450	0.4
637.32440	0.8
655.33337	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94333	1.3
58.00446	2.1
59.01260	11.5
61.98704	3.3
63.40248	1.5
63.50238	1.4
69.03339	1.5
70.96321	4.3
71.01257	40.7
72.99206	1.8
73.02824	4.2
78.95786	14.8
80.02564	1.4
81.03343	2.3
83.01260	2.1
83.04906	8.5
84.02103	1.5
85.02836	4.3
87.00767	2.4
89.02329	4.5
95.04919	2.8
96.96877	1.4
97.02847	4.1
99.00782	2.3
101.02334	11.8
109.06458	8.3
113.02306	5.7
113.09704	1.7
123.50739	1.3
125.02315	2.3
125.09613	3.5
127.11224	1.4
135.08052	1.9
152.99483	7.3
153.12718	1.7
155.10657	2.2
161.04439	3.5
163.11195	10.3
164.11589	1.7
165.12766	4.9
171.10204	14.1
181.12355	7.7
181.13666	1.5
183.13821	6.3
185.11739	4.0
189.09062	1.4
193.12303	1.9
199.13327	23.6
201.11224	11.4
207.10226	26.9
208.10539	2.1
209.11781	100.0
210.12175	8.1
211.13348	79.1
211.15425	2.6
212.13649	5.6
215.12982	2.1
225.11299	25.1
225.13351	2.8
227.12846	71.3
228.13121	4.0
235.08208	7.8
235.13635	1.6
243.12390	3.4
247.13235	2.6
253.09288	17.4
293.21295	2.7
295.22672	2.0
383.22263	2.2
391.24661	3.7
397.13489	1.5
401.23193	8.0
414.08160	1.5
419.24316	5.9
437.25110	2.2
445.20514	2.2
461.20068	6.1
463.21964	8.8
479.21442	1.7
637.32202	5.4
655.33258	9.8
656.33661	2.5
665.15405	1.9
673.34064	24.9
674.34576	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	673.288
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52802	0.8
59.01250	16.9
71.01273	1.5
74.80776	1.2
77.65704	0.9
78.95792	1.1
94.06499	1.7
95.04901	2.6
96.95902	1.7
105.05724	2.0
106.06491	1.8
107.03642	7.7
111.11994	1.1
120.08085	45.1
121.05205	5.9
121.08453	1.5
122.06016	81.2
123.06328	2.9
125.02337	1.9
133.59842	1.0
134.06004	4.7
136.07629	2.8
137.04710	1.5
141.01649	1.1
144.04445	4.7
146.06059	1.3
148.07588	1.0
150.05621	1.1
152.07082	7.3
160.03934	2.4
160.07637	1.0
162.05490	2.5
164.07111	2.4
173.04720	1.9
174.05527	4.9
188.03481	1.7
203.05853	5.8
204.06650	1.1
209.11754	1.9
213.10231	1.9
215.11844	2.9
222.07928	1.3
223.08719	3.9
223.12306	2.0
225.10405	1.4
225.13931	2.4
227.12874	2.2
236.09435	5.7
237.10283	5.7
238.10979	2.3
239.08240	2.0
239.11909	3.5
241.13486	3.2
244.19818	1.0
247.12434	1.1
248.09441	1.8
249.10277	4.0
249.13899	2.1
250.07373	1.8
250.11142	3.6
250.99014	0.9
251.08238	1.7
251.11867	33.5
252.12383	2.0
253.09790	2.2
253.13242	1.0
257.13101	1.1
261.10471	1.7
262.07736	1.1
262.11108	1.8
263.08279	6.7
263.11670	6.1
264.09076	5.0
264.12390	1.6
265.09811	4.9
265.13449	3.4
266.10522	2.3
267.11420	2.9
268.08508	1.5
275.08270	1.8
276.08981	8.1
277.09808	27.4
278.06787	0.9
278.07718	1.3
278.10526	9.9
279.08261	1.7
279.11386	4.7
280.08609	1.7
280.12018	2.3
281.09216	1.0
281.13007	1.5
282.10010	1.5
283.10867	3.4
285.12363	3.0
287.14056	2.2
291.11392	42.0
292.12143	37.2
293.09418	3.9
293.12885	30.4
294.10251	2.0
294.13510	2.0
295.10825	4.9
295.14114	1.2
296.11661	3.0
300.34436	1.1
306.09946	2.0
307.10889	2.2
309.12573	1.8
310.09531	2.6
311.10519	1.2
312.11572	0.9
316.14731	1.1
319.10928	2.1
323.10217	1.9
324.11197	7.8
325.11877	8.0
325.15433	2.2
326.12427	2.0
330.12186	1.1
335.10352	19.8
335.14127	1.9
336.11111	10.3
337.08224	1.5
337.11853	5.4
342.12415	1.4
343.13287	1.3
344.14020	4.6
345.14697	2.3
356.13895	1.8
357.15170	2.2
358.15665	8.3
359.16367	3.6
370.11615	2.1
370.19394	1.9
371.16602	1.7
372.17123	21.1
373.17905	6.5
374.18945	10.3
384.13477	4.4
385.13974	2.0
386.14954	3.7
386.18954	2.7
387.19635	1.5
397.06491	1.2
398.14993	1.9
399.15781	5.6
400.16684	10.1
405.16769	1.8
412.16650	2.5
413.17157	1.3
414.18234	40.4
415.18814	11.4
416.19443	1.4
418.17761	14.7
419.18082	2.4
432.19339	1.7
440.16269	3.2
441.16785	3.0
444.15533	2.0
446.21088	4.9
458.17212	48.2
459.17859	27.8
460.18420	4.3
474.20667	2.3
478.19702	2.0
490.19852	100.0
491.20187	16.8
493.26114	3.9
495.23904	6.7
504.17557	2.6
518.19421	14.1
519.20099	3.9
537.25079	43.8
538.25348	6.0
540.23798	1.7
550.21936	22.4
551.22424	4.9
555.26495	1.2
565.24469	4.1
581.24054	76.7
582.24371	15.4
597.27319	4.9
609.23633	2.9
613.26685	44.5
614.27191	8.5
641.26141	15.1
642.26453	2.8
673.28711	8.6
674.29211	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02190	12.5
59.01249	15.8
63.53854	12.5
66.28687	13.4
71.01250	17.1
71.13519	24.6
78.95776	100.0
96.95918	20.8
110.31813	13.8
111.44608	17.0
121.02871	38.1
137.32416	15.8
141.09190	13.8
152.99486	58.9
171.10254	31.0
209.04462	18.6
209.11766	35.5
223.13568	16.9
227.12820	18.8
550.21033	15.3
564.45923	14.8
673.34155	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54639	0.7
57.03336	1.0
59.01252	100.0
71.01259	6.7
71.57278	1.6
73.02825	4.2
81.32974	0.7
83.01258	2.0
83.42577	0.8
85.02840	3.8
99.00793	1.4
101.02325	7.3
108.02047	1.4
109.02822	3.8
113.02348	3.3
135.00789	1.5
137.02380	0.7
152.01083	1.0
153.01848	3.7
159.02948	0.8
161.04489	2.8
180.43748	0.9
215.75047	0.7
249.13426	17.2
278.10599	0.7
291.14478	5.0
327.06818	0.8
333.34454	1.0
333.95306	0.8
429.10364	1.1
447.11646	1.5
600.41174	0.9
627.22632	1.7
671.22003	6.1
672.21997	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2675
Annotation	Kamalachalcone A
Peak:m/z	Relative Intensity
54.61288	5.7
61.13943	5.5
70.28000	5.8
78.95762	11.2
102.27230	5.4
130.29750	6.3
134.80502	5.8
152.99483	11.5
203.32628	6.8
255.23344	7.1
509.46576	6.9
614.02014	7.1
638.81396	6.1
671.26691	100.0
672.26898	20.6
682.43945	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	671.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56326	0.8
59.01249	2.2
63.25894	0.7
69.03324	2.1
71.01270	0.9
72.16480	0.9
83.01236	0.8
97.02835	1.4
98.19763	2.9
99.00732	1.4
101.02325	1.1
104.19398	0.9
108.01997	0.8
112.74440	0.8
113.02343	1.3
123.00768	2.6
124.01552	3.7
125.02336	69.8
126.02663	2.2
137.02321	1.5
144.48329	0.9
148.90800	0.9
151.00285	1.0
151.03879	1.3
165.05591	1.0
166.99782	1.1
168.00545	6.1
169.01337	100.0
170.01717	3.0
175.72920	0.8
177.01833	1.0
181.12263	3.0
225.11313	1.8
230.83762	1.1
255.76038	0.8
279.12244	1.4
282.05222	1.1
285.03958	2.8
297.07587	2.6
298.07950	1.0
331.06650	3.1
430.48410	0.9
445.09839	6.8
463.10880	6.5
471.48419	1.0
501.19681	2.0
671.21906	26.1
672.21997	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	671.1981
Annotation	(+)-Pinoresinol 4-O-(6''-O-galloyl)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.98160	0.7
55.01752	1.1
55.56081	0.7
59.01249	1.7
67.01763	1.1
69.03309	1.7
71.01241	3.4
73.02814	1.6
79.01781	1.4
81.03310	0.8
83.01258	20.1
85.02821	1.5
87.00746	1.4
92.73024	0.7
95.01270	2.1
97.02828	1.6
98.20663	1.8
99.00729	1.0
101.02310	1.4
107.01276	14.1
109.02828	1.5
111.00751	1.9
113.02355	1.4
121.02846	3.7
122.03635	4.9
123.00768	14.6
123.04385	3.5
124.01552	2.2
125.02338	69.5
126.02692	1.9
127.00289	1.3
136.98691	1.7
137.02348	1.7
137.05948	3.8
139.00264	5.1
139.03923	1.6
140.01070	4.0
141.01810	2.1
147.04407	2.6
149.02278	1.2
150.03088	1.5
151.00262	9.6
153.01782	1.0
153.90446	0.9
161.05975	2.2
165.01822	1.0
165.05469	1.6
166.02643	0.8
168.00574	6.0
169.01340	82.3
170.01654	2.8
179.03352	0.9
183.02879	5.8
195.06601	0.9
204.04243	1.0
211.02403	2.4
221.08095	2.7
229.48758	0.9
241.03477	1.3
305.42169	0.8
308.63226	0.9
313.05661	23.7
314.05768	1.3
327.07101	3.1
342.11191	1.7
343.11871	10.2
344.12277	1.2
357.13391	10.5
358.13748	1.0
413.19745	1.0
464.12643	0.9
527.53656	0.9
671.19763	100.0
672.20007	15.5
677.47968	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	3.3
63.02273	1.3
65.00208	2.6
71.01255	3.8
72.99194	1.8
82.19764	1.0
83.01269	2.1
85.02843	2.8
87.00748	2.4
91.01764	1.3
93.03333	2.3
96.95873	1.2
97.44682	0.8
107.01278	5.8
108.02062	1.1
109.02861	5.7
113.02344	2.2
121.02840	7.5
125.02345	4.3
133.02910	1.7
134.03629	7.4
135.04460	1.1
137.02312	1.0
138.87665	1.0
139.03912	1.4
147.04449	1.6
149.00896	1.5
149.02345	3.3
149.05980	2.4
151.00270	25.9
152.00531	1.3
161.02310	2.2
163.00256	2.4
165.01768	1.2
168.00563	0.8
169.01361	3.5
175.03914	1.8
177.01865	9.6
178.99786	9.5
185.05913	1.6
189.01958	1.3
189.05476	2.7
201.05391	1.1
202.02660	1.2
205.01416	1.6
211.04004	1.4
213.01904	1.2
215.03580	1.1
216.04344	1.1
217.05086	5.8
227.03534	1.0
229.04968	1.8
233.08151	1.5
239.03459	1.1
243.02974	1.7
244.03712	1.2
255.02954	4.1
259.06076	7.4
271.02524	2.0
277.07123	3.7
300.02856	3.2
301.03534	100.0
302.03870	8.8
327.05099	20.1
328.05356	1.9
328.74277	1.0
345.06131	1.9
357.03592	1.1
373.05655	8.2
421.05457	1.3
435.07626	1.2
451.10388	4.4
477.07101	21.2
478.07803	1.4
495.09341	37.0
496.09854	4.5
671.12048	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	671.126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.7
58.81422	0.5
59.01247	5.6
59.16968	0.5
59.87158	0.5
62.80990	0.5
63.02264	3.2
63.90067	0.5
65.00188	5.3
70.91078	0.7
70.91371	0.7
71.01260	7.5
72.99157	1.5
73.02811	1.3
75.00745	2.4
83.01251	3.9
83.04882	0.6
85.02831	7.1
87.00747	1.4
89.02311	1.1
93.03342	2.5
95.01246	1.8
96.95905	1.1
98.18113	0.5
99.00785	1.3
101.02316	1.4
103.85902	0.5
107.01271	10.4
109.02840	15.9
111.00757	0.7
113.02335	7.6
119.04907	0.6
121.02856	10.7
123.00761	1.1
123.04417	0.8
125.02352	5.7
129.01834	1.1
134.03600	0.7
135.04399	1.5
137.02336	1.9
139.03951	1.0
145.02971	0.6
148.01596	0.6
149.02321	2.3
151.00284	38.1
151.03835	1.2
152.00662	0.9
153.01872	0.9
159.00768	0.8
159.04401	0.6
161.02347	2.2
163.00314	3.6
163.03899	1.3
164.01013	1.0
165.01933	0.8
167.03445	1.2
167.04819	0.6
169.01352	6.8
172.18271	0.5
175.02399	2.4
175.03877	0.9
177.01910	1.0
178.99794	18.0
179.99959	0.6
183.04430	1.1
184.38385	0.5
185.05820	0.6
187.03897	1.2
189.05550	0.8
191.03494	1.1
193.01373	1.0
193.03403	1.5
199.04012	0.9
201.05618	1.0
202.99820	4.0
205.05042	0.6
211.03883	1.4
215.03345	0.7
216.00552	1.1
217.01314	0.9
225.05441	0.8
227.03406	2.5
229.05060	1.6
235.02368	2.7
239.03458	1.0
241.05090	0.7
243.02869	1.1
245.04533	3.0
253.05112	0.8
255.03000	3.7
256.03610	0.9
257.04556	1.4
267.03085	0.7
267.07132	0.7
269.04596	0.8
271.02481	4.1
273.03976	3.2
279.02966	1.4
281.04599	1.2
283.02493	1.4
284.03156	1.0
285.04016	1.7
289.07004	0.7
295.02475	0.6
297.03979	2.9
299.01913	3.9
300.02719	3.6
301.03531	100.0
302.03864	7.0
307.02536	2.0
313.03531	8.8
314.03918	0.8
325.03458	1.3
327.05078	1.4
353.03058	7.3
385.05637	25.4
386.05978	2.0
421.05502	1.0
433.09109	0.7
463.06607	2.0
477.08072	48.8
478.08377	5.6
491.26413	1.0
495.09354	37.9
496.09903	3.8
561.08221	0.8
653.11261	0.9
671.12494	2.4
671.21704	1.6
671.33649	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48853	0.4
57.03327	0.7
59.01252	5.0
63.02269	2.9
65.00194	5.2
69.51214	1.0
69.51621	2.9
71.01252	5.6
72.99173	1.6
73.02827	0.6
75.00742	1.7
75.16946	0.4
83.01256	4.3
85.02819	7.5
87.00767	1.1
89.02317	1.4
91.01768	0.8
93.03355	2.5
95.01282	1.5
96.95898	0.9
97.80926	0.4
98.20586	0.5
99.00737	1.3
101.02336	1.2
103.00255	1.3
107.01270	12.4
108.02076	0.7
109.02832	13.6
111.00785	0.6
113.02327	6.5
115.00257	0.7
119.04921	0.5
121.02850	9.2
123.00740	0.9
125.02330	4.3
129.01849	0.7
133.02802	0.7
134.03638	0.5
135.00774	0.7
135.04390	1.0
137.02411	1.1
139.00249	0.7
139.03905	1.4
143.67697	0.5
147.02724	0.4
149.02362	2.3
151.00278	41.1
152.00638	1.4
158.29578	0.4
159.04401	0.8
161.02377	1.4
163.00272	3.6
163.03874	0.8
164.01009	0.7
165.01741	0.5
169.01346	6.4
175.00244	0.5
175.02383	2.5
175.03825	0.9
177.01823	0.8
178.99783	17.4
179.03270	0.6
180.00189	0.6
183.04468	1.0
185.05943	0.5
187.03900	1.0
189.01981	0.8
191.01881	1.2
191.03421	0.4
192.00595	0.7
193.01390	1.7
193.03467	2.2
199.03967	1.1
201.05508	0.8
202.99811	2.6
203.03412	0.8
205.05005	0.5
211.04008	1.6
213.05397	0.8
215.03448	0.9
216.00540	1.0
225.05611	0.5
227.03441	1.8
228.03993	0.6
229.04999	2.0
229.82449	0.5
235.02480	1.9
239.03445	1.0
240.04288	0.5
243.02966	1.9
245.04517	2.0
253.05064	1.1
255.02974	5.6
256.03702	1.1
257.04593	1.2
267.03082	0.7
267.07138	0.5
268.03735	0.6
271.02512	4.0
273.03979	2.4
279.02969	1.1
281.04556	1.3
283.02481	1.5
284.03259	1.0
285.04010	2.0
289.07373	0.5
297.04123	2.1
298.04507	0.8
299.02014	3.4
299.05115	0.7
300.02731	3.6
301.03531	100.0
302.03839	7.3
307.02545	1.6
313.03503	7.2
315.05295	0.6
325.03482	1.3
327.05139	1.4
335.01825	0.5
341.02979	0.7
353.02966	6.8
354.03040	0.6
385.05655	21.5
386.06216	2.2
421.05945	0.6
433.09512	0.6
435.10498	0.7
451.10049	0.9
460.94452	0.4
463.06561	0.9
477.08035	45.2
478.08362	4.9
495.09332	27.8
496.09787	3.3
653.10620	1.1
671.11066	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	671.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27367	0.6
57.03329	1.1
59.01254	6.0
61.51431	0.6
63.02277	1.9
65.00195	5.8
69.45920	4.3
69.46324	1.2
71.01263	6.3
72.99183	2.2
73.02819	1.3
75.00735	2.1
83.01284	3.7
85.02827	6.3
85.59035	0.7
87.00763	1.0
89.02275	1.4
93.03353	1.8
95.01281	1.4
96.95908	1.6
99.00771	1.4
99.04402	1.1
101.02321	1.1
103.00225	1.2
107.01281	11.1
108.02076	1.1
109.02846	18.5
110.03201	0.9
113.02331	8.8
115.00230	0.9
119.04808	1.1
121.02856	10.1
123.00791	1.5
124.01550	0.7
125.02357	9.0
133.04930	1.0
134.03633	1.0
135.04443	0.9
136.01570	1.0
137.02356	1.9
139.00354	0.8
145.02910	0.8
149.02350	2.3
151.00284	42.3
151.03897	0.9
152.00687	1.8
153.01895	0.7
159.00819	1.1
159.04388	0.8
161.02386	2.0
163.00331	3.1
163.03923	1.0
164.01019	0.7
165.01877	1.3
167.03426	1.0
169.01366	8.5
171.04433	0.7
175.02420	2.4
176.01044	0.9
177.01828	2.7
178.99796	17.7
180.00096	1.0
183.04443	1.1
187.03935	1.1
191.01877	0.9
191.03436	1.4
191.68407	0.6
193.01286	0.8
193.03494	1.3
201.05533	1.5
202.99788	4.7
205.05009	0.8
211.03969	2.4
212.04765	0.6
213.25748	0.7
216.00516	1.6
227.03508	1.2
229.05058	1.6
235.02393	3.3
239.03481	1.8
241.05054	0.7
243.02946	1.6
245.04514	2.5
246.74791	0.7
253.05199	1.0
255.02945	4.7
257.04489	1.6
267.07147	1.0
269.04449	1.5
271.02429	3.3
273.04044	3.1
281.04535	1.4
283.02490	2.0
284.03180	1.4
285.03989	2.4
286.04501	0.9
289.07086	0.7
297.03973	3.7
299.02206	3.1
300.02634	3.9
301.03543	100.0
302.03918	7.2
307.02490	2.4
313.03415	8.7
325.03546	1.9
327.05042	1.4
335.01810	1.0
353.03000	10.2
354.03430	0.9
385.05673	31.5
386.06018	2.5
451.10550	0.9
463.06665	1.6
477.08118	50.7
478.08463	4.7
495.09363	43.1
495.14825	1.0
496.09793	4.6
544.83032	0.8
653.11462	1.0
671.11542	2.1
671.21667	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	669.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01015	0.3
55.01754	0.3
57.03317	0.7
58.00462	0.4
59.01248	4.7
67.30608	0.3
67.39271	0.3
69.03320	1.7
69.49306	2.6
71.01255	3.6
73.02836	0.7
76.38860	0.3
80.02538	0.9
81.03327	1.1
83.04898	4.4
84.02025	0.8
85.02809	0.8
87.00756	0.5
89.02319	2.1
95.04888	0.8
101.02335	3.6
109.06470	0.8
113.02325	2.0
119.03406	0.8
120.72928	0.3
125.05970	0.5
125.09641	0.3
135.08083	0.6
149.09613	0.3
155.32413	0.3
161.04497	0.8
163.11195	3.5
165.12767	2.6
167.10660	2.1
171.10201	2.7
177.12796	0.3
179.05650	0.3
179.10698	1.1
179.14304	2.6
181.12219	0.3
191.10707	0.6
195.13847	7.4
195.51839	0.3
204.65633	0.3
205.12299	6.9
209.11772	100.0
210.12125	5.9
223.13350	71.5
224.13710	4.3
227.12833	14.8
228.13225	0.8
235.08195	2.7
253.09274	10.3
254.09787	0.5
261.14862	2.0
266.65536	0.3
415.24954	0.7
441.21393	0.8
445.20963	0.8
459.22391	4.2
460.22949	0.4
633.32990	0.5
651.33887	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97967	0.9
57.03309	1.1
59.01247	10.4
69.03319	2.5
70.55016	1.0
71.01246	7.4
71.04912	1.2
73.02824	1.4
82.20837	0.9
83.04897	1.2
85.02818	1.9
89.02313	5.0
97.06448	1.4
101.02339	6.3
111.08019	1.4
113.02320	3.3
113.85370	1.0
142.92757	0.9
161.04453	1.5
163.11188	1.5
165.12759	10.6
167.10704	3.6
179.10732	1.7
179.14323	4.3
183.13829	100.0
184.14188	4.2
195.13857	13.7
199.13206	1.0
205.12273	11.1
209.11766	8.0
211.13318	1.5
218.96274	1.1
223.13347	84.9
224.13660	3.6
227.12862	8.5
235.08191	2.6
253.09206	6.1
419.22849	1.2
441.21579	1.2
445.20969	3.2
459.22366	5.8
463.21942	5.4
651.31683	1.6
669.34906	82.2
670.35291	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	669.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.1
60.43175	0.3
69.03322	1.9
71.01244	0.7
72.99169	0.9
78.95776	0.4
79.01756	0.4
81.03357	0.7
85.02854	0.6
91.23814	0.4
95.01271	1.1
95.78392	0.4
96.30056	0.4
96.95859	0.9
97.02839	1.7
106.20742	0.4
113.02337	0.5
123.00770	2.2
124.01551	4.4
125.02338	65.1
126.02670	1.5
135.04445	0.6
137.02318	0.6
139.00255	0.9
139.03926	0.5
152.99513	0.4
163.03792	0.4
166.99846	1.0
167.03426	0.5
168.00554	6.6
169.01340	100.0
170.01695	3.4
174.70201	0.4
179.03445	0.7
179.10701	1.5
185.09183	0.4
188.11302	0.4
193.01312	0.6
211.02321	0.5
223.09663	0.7
229.44464	0.4
230.44762	0.4
262.26059	0.4
265.03497	0.7
283.04581	1.1
307.08252	0.5
313.05603	2.2
331.06674	6.3
332.06577	0.6
343.06683	1.0
374.61371	0.4
427.08698	1.4
445.09857	21.5
446.10394	1.8
463.10907	9.5
464.11746	0.9
499.18515	0.7
540.68109	0.4
625.21289	7.8
626.21606	0.9
668.39325	0.6
669.20361	15.5
669.31183	0.5
669.94958	0.4
670.20569	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	669.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	6.8
59.01257	4.6
62.40231	2.8
63.02265	13.1
65.00194	10.8
65.84638	3.1
71.01953	3.2
71.57239	5.1
83.01268	13.0
87.00757	4.7
87.65920	2.8
95.89679	2.8
107.01266	21.2
107.74559	3.1
109.02832	5.0
111.00675	3.3
120.35121	3.4
123.00789	4.5
123.04443	3.5
123.08056	9.4
125.02341	35.4
135.00690	2.9
137.02347	5.4
139.00253	5.9
139.62506	2.9
150.15311	2.9
151.00266	49.4
152.00986	3.1
153.01837	10.2
154.17982	3.4
163.00288	3.9
165.01895	4.6
166.99765	6.0
167.03407	4.5
169.01355	31.1
171.11749	8.1
172.12025	3.6
175.00266	3.5
177.01851	9.3
178.99785	100.0
180.00101	4.4
181.01361	11.5
183.04332	3.6
185.02364	3.6
187.03847	5.8
189.12837	3.2
193.01393	14.5
194.99272	12.8
199.03841	4.0
203.03409	4.1
209.00894	3.7
211.03911	3.8
215.03581	6.0
227.03447	7.9
229.01292	3.9
237.14966	10.9
238.15218	5.9
243.02968	5.7
245.04498	3.9
255.03082	6.6
259.02496	6.4
271.02533	5.1
281.13904	40.3
282.14362	31.4
283.02472	9.2
283.14395	6.6
287.02182	3.4
299.01974	11.7
317.03271	5.1
391.04391	3.6
435.76813	3.3
451.03128	5.0
463.02853	5.3
481.04422	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	669.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40014	0.9
54.42562	0.9
57.03314	2.0
59.01251	10.5
65.00183	2.4
67.01779	1.0
71.01261	8.3
71.59097	1.7
72.99166	2.1
73.19417	0.9
74.18645	0.8
83.01254	2.2
85.02829	6.8
87.00745	2.2
89.02322	2.3
96.95915	1.2
99.00748	2.0
101.02326	1.6
107.01263	5.6
108.02054	3.5
109.02855	4.9
113.02334	4.2
115.44167	1.0
119.03396	1.1
121.02814	4.0
123.00788	1.5
125.02333	4.6
129.01773	1.0
135.00752	1.5
135.04431	2.3
137.02322	1.9
145.02826	1.5
148.01587	2.2
149.02368	2.0
150.03168	1.3
151.00273	13.8
152.01001	0.9
152.99510	1.1
153.01888	0.9
161.02310	1.5
162.00844	0.9
163.00284	3.0
163.03857	1.8
164.01015	1.2
165.01910	1.2
165.05484	1.0
165.09178	1.1
167.03467	1.0
169.01353	4.5
175.02367	1.8
175.03787	1.6
176.01012	1.3
176.59865	0.9
177.01875	1.5
178.99780	7.0
181.05017	2.4
183.04338	1.2
190.02623	1.2
191.03452	3.1
195.06540	1.0
199.03876	1.4
203.03403	1.6
209.08089	3.2
211.03937	3.0
211.13275	1.2
215.74504	1.1
216.04167	1.0
226.02609	2.6
227.03502	4.6
229.05031	1.8
233.08022	1.1
237.05536	1.0
239.03329	0.9
243.02969	14.7
244.03470	1.4
245.04393	1.2
254.02112	3.1
255.02962	34.0
256.03311	2.1
257.04443	1.0
271.02478	64.4
272.02890	5.8
273.07477	1.0
283.02475	2.6
285.03949	3.4
299.01898	3.3
300.02744	100.0
301.03513	45.4
301.07028	3.3
302.03986	2.2
314.04440	1.4
315.05057	5.2
316.09427	2.2
331.11661	1.1
353.08786	2.7
369.06168	6.9
399.07245	1.1
447.16400	1.5
463.08804	47.6
464.08932	3.9
477.10208	5.2
493.11655	7.1
493.29861	1.1
494.11771	1.7
526.21497	1.0
537.32513	1.1
543.35651	1.1
609.26953	1.0
625.30786	1.5
669.14539	40.8
669.31488	4.8
670.15192	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	667.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30990	0.3
59.01253	4.0
71.01255	2.0
73.02825	0.5
83.01248	0.4
87.00752	0.4
89.02333	1.8
101.02323	2.2
105.52272	0.3
113.02332	1.2
114.76913	0.4
125.09564	0.6
127.11200	2.1
146.06671	0.3
153.09091	0.6
161.04451	0.9
171.10184	94.5
172.10516	3.8
197.13095	0.4
235.08215	2.0
253.09265	6.1
254.09657	0.4
275.20114	0.4
277.21716	100.0
278.22061	8.6
293.21112	0.7
334.40506	0.4
407.19156	0.5
428.29932	0.3
430.32062	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64992	0.2
53.03287	0.2
57.03316	0.3
59.01259	2.1
62.42889	0.2
71.01265	1.3
73.02847	0.4
73.94293	0.2
78.19078	0.2
85.02842	0.5
87.00754	0.2
89.02332	1.0
101.02316	1.4
111.34064	0.2
113.02335	0.6
119.03400	0.4
123.08047	0.2
125.09603	1.1
127.11171	2.2
138.65697	0.2
153.09073	0.5
161.04457	0.6
171.10185	100.0
172.10518	3.8
235.08168	1.2
253.09279	5.3
275.07758	0.2
277.21719	46.9
278.22113	3.9
314.37537	0.2
395.41309	0.2
407.19257	0.6
486.72708	0.2
569.55725	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.7
57.03326	3.9
58.00460	1.3
59.01255	27.7
63.80703	0.7
69.03332	0.9
69.26671	8.0
71.01257	41.3
72.01605	0.8
72.99200	4.1
73.02821	9.7
75.00742	3.3
76.48095	0.7
78.95790	1.0
83.01255	6.1
85.02828	21.3
85.99948	0.9
86.03158	1.0
87.00758	3.5
89.02320	13.8
91.01800	0.8
95.01265	5.4
96.95892	2.8
97.02818	1.2
99.00757	5.0
101.02328	29.2
109.02854	0.8
109.48664	0.6
111.00773	5.3
113.02331	18.3
119.03365	4.5
121.02812	1.1
122.03616	0.7
123.00800	0.9
124.01517	1.1
125.02336	8.3
129.01857	1.3
131.03412	1.2
135.04419	0.7
137.02364	2.1
141.01843	0.8
143.03409	1.9
145.02863	0.7
149.02364	1.2
149.13295	0.7
150.03105	0.6
151.03951	1.1
152.01103	0.8
157.12273	1.5
159.02904	2.2
161.02377	1.3
161.04480	4.5
163.03943	1.2
164.04652	0.8
165.05473	1.0
169.01366	3.1
175.03947	0.9
179.05495	1.5
195.06508	0.8
209.11633	0.8
224.19969	0.7
277.05170	0.7
299.05524	0.8
329.06738	1.9
343.28531	1.5
463.23328	0.8
487.33093	1.4
494.92004	0.8
504.32315	0.8
505.33771	30.6
506.34207	4.3
515.19470	1.0
535.31848	0.7
616.67346	0.8
623.25922	1.1
667.39233	100.0
668.39587	17.1
668.51105	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36349	0.7
51.31804	0.8
52.01828	0.8
55.01738	2.4
56.28295	0.8
57.03308	4.9
57.53900	0.8
57.99243	1.0
59.01253	13.4
62.52483	0.9
68.28117	0.9
69.03327	0.8
71.00890	1.6
71.01254	22.1
72.99178	4.9
73.02812	3.3
75.00747	20.9
83.01251	3.4
85.02821	27.5
87.00746	7.3
89.02324	2.8
95.01266	4.0
98.19807	3.1
99.00755	7.6
99.87235	0.8
101.02341	7.0
103.00219	1.3
111.00723	1.2
113.02333	23.0
115.00237	2.8
117.01804	1.6
125.02328	3.6
129.01810	1.3
137.02327	2.2
148.08971	0.9
149.04517	1.5
157.29144	1.0
169.01376	1.1
175.02428	1.8
177.85568	0.9
209.08112	0.9
223.13420	2.0
225.11299	2.8
323.22772	1.0
329.99042	1.1
336.79697	1.1
667.39111	100.0
668.29401	1.5
668.39606	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	667.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70111	0.4
55.01745	1.9
57.03320	5.0
58.00454	0.9
59.01253	10.5
68.99691	0.8
69.03326	1.2
70.70891	0.9
70.71233	0.7
71.01254	21.3
72.99183	4.9
73.02824	3.5
75.00748	25.3
75.25848	0.4
83.01257	3.2
84.02041	0.6
85.02826	27.0
85.99980	0.7
87.00751	7.6
87.97845	0.5
88.05267	0.4
89.02309	2.8
95.01264	4.0
97.02833	1.2
98.20535	0.7
99.00755	8.7
101.02327	5.6
102.32005	0.5
111.00739	1.0
112.01537	1.4
113.02337	22.2
115.00234	3.2
116.01015	0.6
117.01847	0.9
121.02839	0.6
125.02309	1.9
129.01830	1.2
137.02325	0.6
157.01376	0.7
161.04448	0.6
175.02391	1.8
195.06531	0.7
207.10143	0.8
223.13306	1.5
225.11340	0.7
283.26376	0.9
329.30649	0.6
461.20108	0.6
491.35992	1.2
616.56860	0.6
616.79810	0.5
649.38586	0.7
667.39105	100.0
668.39502	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	667.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93036	0.6
53.33750	0.6
55.01763	1.0
57.03301	0.7
58.00458	2.4
59.01252	41.7
62.50134	0.7
66.97376	0.6
69.03323	2.1
71.01254	41.5
72.01602	0.6
72.99182	3.7
73.02821	6.5
74.68087	0.7
75.00715	1.0
78.95750	1.2
81.03335	2.0
83.01265	4.7
85.02818	9.4
87.00752	9.9
89.02318	34.1
91.03872	1.2
95.01260	2.7
95.04944	0.7
97.02833	6.5
99.00757	2.7
101.02322	34.5
102.02637	1.1
103.03880	0.6
109.02815	0.7
111.04394	1.2
113.02334	15.5
113.31277	0.6
115.03873	0.9
119.03384	12.4
121.02856	0.8
124.01487	0.8
125.02332	14.9
131.03410	1.9
133.04970	1.3
139.03914	1.3
141.01836	1.0
143.03403	6.3
149.04486	1.1
160.73293	0.7
161.04445	6.5
167.03410	0.8
171.10172	6.1
179.05521	6.3
179.86742	0.7
219.04996	0.9
221.06636	2.5
223.13326	2.5
229.74651	0.6
235.08214	16.8
243.68103	0.6
253.09325	4.0
263.07742	2.3
269.24854	100.0
270.25241	9.0
277.09183	1.1
277.21725	3.4
283.26431	1.1
287.07855	3.1
293.21231	1.8
304.09729	0.7
305.08737	3.8
323.09744	1.1
361.11383	1.0
379.12634	1.3
397.13489	85.5
398.13943	6.5
415.14566	34.2
416.14841	2.2
576.32495	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46789	0.5
52.96418	0.5
53.66998	0.4
55.01740	1.6
57.03313	0.9
58.00472	2.6
59.01253	37.0
61.98695	1.1
67.32795	0.6
69.03331	2.5
70.08317	2.8
71.01255	34.8
72.01585	0.5
72.99196	3.6
73.02818	5.4
75.00735	1.5
78.95762	0.8
81.03326	1.5
83.01263	4.0
85.02824	8.4
85.99982	0.6
86.40170	0.6
87.00758	9.1
89.02316	31.3
91.24292	0.5
95.01270	2.7
97.02831	5.5
98.19867	0.6
99.00753	1.8
101.02325	32.4
109.02840	0.8
111.00755	0.6
111.04403	1.4
113.02335	14.4
119.03392	10.6
121.02866	0.7
124.01569	0.9
125.02344	14.4
129.01820	0.8
131.03377	1.5
133.04947	1.1
139.03909	1.6
141.01822	0.7
143.03404	6.2
148.98305	0.6
149.04507	1.2
152.99481	0.9
161.04477	7.3
167.03383	1.1
169.04979	0.6
171.10190	15.1
179.05513	7.6
180.18419	0.5
185.04478	0.6
199.06091	0.8
203.05595	0.7
217.07051	1.5
221.06523	2.7
223.13422	1.4
235.08191	14.4
236.08589	0.7
245.06535	0.9
253.09279	4.3
255.23376	0.5
263.07593	1.0
269.24850	100.0
270.25250	8.2
277.09332	1.3
277.18896	1.1
277.21707	12.7
278.22021	0.6
279.74808	0.6
283.26437	0.7
287.07758	3.3
293.21323	1.1
305.08746	3.7
323.09894	1.4
361.11285	0.6
379.12698	1.4
381.72470	0.6
397.13507	77.5
398.13828	5.7
402.93088	0.7
415.14584	28.1
416.14975	2.0
552.72675	0.6
667.25714	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74896	2.4
56.83890	2.2
57.03318	7.7
59.01252	100.0
60.53455	2.5
62.72854	2.6
63.52785	2.4
69.34943	26.1
71.01263	11.9
71.72356	2.1
72.35203	2.3
73.02802	4.3
75.00748	4.8
78.02894	2.1
78.95784	3.8
80.77336	2.1
81.19501	2.4
83.01244	2.6
85.02830	6.8
87.00739	4.8
89.02341	4.9
96.95903	3.2
97.02779	2.5
98.19846	5.9
99.00787	3.5
99.04380	3.7
101.02322	8.1
113.02333	5.7
119.08517	6.3
123.00757	3.9
123.04433	3.5
125.02383	4.4
130.33434	2.5
133.10150	3.2
135.08049	3.2
137.02362	5.8
137.09621	18.0
142.77405	2.3
150.08034	2.2
152.99493	2.7
161.04462	3.2
161.09648	9.0
164.04633	3.0
167.03397	2.9
169.01242	3.1
179.10722	15.5
181.08612	30.8
185.86864	2.8
197.11777	50.7
223.09692	22.2
241.10812	36.2
263.08835	2.8
269.10385	6.5
340.49988	2.7
383.13550	3.6
401.14426	14.5
428.64114	2.6
438.52902	2.7
443.72702	2.5
569.03064	3.1
607.24249	3.8
625.25189	13.4
649.24591	2.9
667.26123	74.1
667.37720	7.3
668.26563	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	667.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03286	0.3
59.01249	4.7
61.20950	0.3
71.01254	3.1
71.57581	0.3
73.02824	1.0
74.27348	0.3
77.12137	0.2
78.95776	0.7
83.01257	0.7
85.02805	1.0
87.00764	0.3
89.02312	2.3
95.01257	0.3
101.02330	6.1
113.02343	3.0
119.03394	4.0
121.02823	0.8
125.02332	0.7
131.03386	0.3
143.03391	0.7
152.99471	0.5
161.04449	2.0
179.05533	0.4
209.04628	0.3
301.21716	100.0
302.22067	10.0
315.23074	0.7
474.83865	0.3
505.27936	1.6
533.91571	0.3
593.13190	0.3
667.33093	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	667.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74896	2.4
56.83890	2.2
57.03318	7.7
59.01252	100.0
60.53455	2.5
62.72854	2.6
63.52785	2.4
69.34943	26.1
71.01263	11.9
71.72356	2.1
72.35203	2.3
73.02802	4.3
75.00748	4.8
78.02894	2.1
78.95784	3.8
80.77336	2.1
81.19501	2.4
83.01244	2.6
85.02830	6.8
87.00739	4.8
89.02341	4.9
96.95903	3.2
97.02779	2.5
98.19846	5.9
99.00787	3.5
99.04380	3.7
101.02322	8.1
113.02333	5.7
119.08517	6.3
123.00757	3.9
123.04433	3.5
125.02383	4.4
130.33434	2.5
133.10150	3.2
135.08049	3.2
137.02362	5.8
137.09621	18.0
142.77405	2.3
150.08034	2.2
152.99493	2.7
161.04462	3.2
161.09648	9.0
164.04633	3.0
167.03397	2.9
169.01242	3.1
179.10722	15.5
181.08612	30.8
185.86864	2.8
197.11777	50.7
223.09692	22.2
241.10812	36.2
263.08835	2.8
269.10385	6.5
340.49988	2.7
383.13550	3.6
401.14426	14.5
428.64114	2.6
438.52902	2.7
443.72702	2.5
569.03064	3.1
607.24249	3.8
625.25189	13.4
649.24591	2.9
667.26123	74.1
667.37720	7.3
668.26563	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	667.1507
Annotation	Euphorbianin
Peak:m/z	Relative Intensity
55.58356	0.5
55.70274	0.5
57.03314	0.7
59.01262	0.6
63.02293	0.6
65.00206	0.9
69.03332	0.6
71.59492	0.8
83.01269	0.7
85.02835	0.6
89.49557	0.4
94.41375	0.5
98.61665	0.5
107.01276	2.3
109.02862	1.8
109.42813	0.5
121.02869	0.6
123.04431	0.5
125.02338	6.1
133.02829	1.0
137.02243	0.6
149.02379	0.5
151.00287	6.6
151.03902	0.9
161.02402	0.8
163.00304	0.7
165.01755	0.9
167.03391	0.7
169.01358	4.6
171.04405	0.9
175.00200	0.6
175.03914	0.9
177.01813	1.0
178.99792	1.8
183.11375	0.5
187.03937	0.8
193.01440	0.6
199.03973	3.8
201.01880	1.4
215.03400	1.4
226.02646	1.2
227.03442	2.9
228.03830	0.6
228.63603	0.6
229.05011	0.6
242.02284	0.5
243.02945	4.7
255.03024	2.3
271.02478	59.1
272.02847	4.6
297.03867	0.8
299.01965	100.0
300.02545	14.4
301.03519	36.7
302.03885	2.2
313.03342	1.0
342.03769	0.6
343.04486	1.5
462.08017	28.5
463.08771	15.4
464.09494	1.5
505.09897	18.6
505.17407	0.9
506.10251	2.1
547.10596	1.1
625.14001	1.5
667.15137	58.8
668.15631	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	667.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
70.07793	3.7
70.08088	1.0
76.22433	0.7
78.95814	1.2
93.69331	0.7
98.19913	0.8
107.35231	0.7
111.30395	0.6
167.81047	0.8
233.64815	0.6
240.97462	0.8
326.00729	0.7
464.65823	0.7
584.53137	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.7
56.61531	0.6
57.03328	1.3
59.01242	3.7
69.03333	0.9
69.49153	5.3
71.01254	3.7
72.99191	1.6
73.02805	1.2
75.00755	1.4
81.03322	0.8
85.02818	4.4
87.00768	1.0
89.02319	1.3
95.01275	1.5
97.02798	1.0
99.00767	1.7
101.02323	1.0
108.02055	65.1
109.02870	11.8
113.02332	2.6
119.04944	1.3
121.02830	1.3
123.00729	1.0
123.04445	0.8
125.02332	3.2
133.02788	0.7
134.03665	1.3
135.04428	1.7
136.93063	0.7
137.02348	1.3
147.04475	0.8
149.02356	1.8
151.03876	1.3
152.01065	100.0
153.01584	4.6
162.03062	0.6
163.03926	5.4
165.01875	0.7
165.05559	0.9
166.02655	0.8
167.03380	1.2
169.01364	1.7
177.05533	0.7
179.03522	1.0
207.02989	1.1
223.06189	3.7
237.07718	6.8
243.38228	0.6
269.04504	1.4
270.04898	0.9
297.06042	0.8
299.09183	1.5
300.09619	1.8
301.09970	1.2
320.97821	0.7
429.10364	26.7
430.10715	2.6
667.18805	62.8
667.30084	2.2
668.19067	10.8
699.76587	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	2.2
57.03313	3.6
59.01254	13.1
61.98701	1.3
71.01252	22.4
71.58956	1.0
72.99173	5.0
73.02821	3.3
75.00751	22.2
75.01186	1.2
83.01260	2.4
83.04898	0.8
84.02045	1.3
85.02823	28.5
87.00747	7.3
89.02316	2.3
89.04287	0.7
95.01254	2.9
96.95885	1.9
97.02833	1.6
99.00758	7.2
101.02329	6.1
103.00282	0.8
109.02838	0.9
111.00765	1.3
113.02332	22.3
115.00254	1.7
117.01840	2.2
125.02319	2.9
129.01848	1.4
133.02814	0.9
154.99579	0.9
157.01280	1.5
161.02322	1.7
169.01349	0.9
175.02391	2.4
177.01906	1.1
183.06544	2.8
209.08089	1.3
209.11662	0.9
211.13391	0.9
389.24585	1.0
461.21594	1.3
489.34198	1.1
557.12695	1.0
579.23895	1.5
665.37537	100.0
666.37946	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	665.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82953	8.9
70.14494	33.8
78.95771	39.7
81.49141	8.7
83.04871	10.8
89.79681	10.1
94.94634	9.2
96.17590	8.9
110.98418	10.1
169.10585	9.5
203.22906	9.1
209.11746	100.0
227.12796	30.7
255.23294	51.0
418.43768	11.0
430.38962	11.2
665.40564	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	3.3
57.03317	3.9
58.82411	1.9
59.01258	25.1
61.98697	3.2
65.79266	2.1
68.99693	2.2
71.01261	23.9
71.58605	4.2
72.99181	5.5
73.02818	4.4
75.00746	22.7
85.02825	25.9
87.00750	9.3
89.02343	2.7
92.03223	2.0
95.01263	2.6
96.95903	2.5
99.00771	11.3
101.02335	7.6
105.07798	2.1
113.02330	22.6
115.00262	2.5
116.92712	2.1
125.02348	6.9
147.12238	2.0
149.59311	2.1
175.00200	2.4
198.62085	2.4
219.09845	2.2
254.91856	2.4
328.17657	2.4
378.86954	2.4
388.13745	2.5
665.37579	100.0
666.37646	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	665.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87462	1.4
55.01757	1.7
57.03317	5.3
57.16499	1.2
59.01255	12.2
61.98709	2.4
71.01254	24.6
71.58719	2.0
72.99187	4.2
73.02830	2.8
75.00745	21.0
78.17821	1.4
83.01268	2.9
85.02829	27.3
87.00757	5.5
89.02319	3.2
95.01234	3.1
96.95908	3.6
99.00751	6.1
101.02327	7.5
106.91045	1.3
113.02330	24.1
113.47200	1.3
115.00227	2.4
116.92744	1.7
117.01817	2.0
125.02322	4.3
125.69827	1.4
147.88507	1.4
161.02415	1.6
171.10194	1.7
175.02399	3.2
185.50529	1.5
267.62186	1.5
289.07016	1.8
489.34369	1.8
647.36304	2.6
665.37567	100.0
666.38025	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	665.355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.8
59.01250	4.3
62.70919	0.3
69.03326	2.4
70.12725	0.9
71.01253	2.8
71.04889	0.5
73.02845	0.4
78.95776	0.3
83.01290	0.3
83.04904	0.5
85.02828	0.8
87.00765	0.4
89.02322	1.6
93.03331	0.4
95.04915	0.6
98.19961	0.3
101.02328	2.5
109.06474	0.5
113.02329	1.0
119.03458	0.3
125.02374	0.5
135.11682	0.5
145.04933	0.4
149.09581	0.7
161.04466	1.0
161.13234	0.4
167.10710	3.0
168.10939	0.3
177.12775	0.5
179.05557	0.4
179.10721	1.1
179.14340	3.4
195.06596	0.4
195.13863	10.1
196.14153	0.8
205.12280	11.1
206.12636	0.7
223.13354	100.0
224.13678	6.3
235.08205	2.4
253.09291	5.2
275.82153	0.3
331.48044	0.3
349.25647	0.3
385.23685	0.4
411.25229	0.7
429.26538	0.9
441.21182	1.1
459.22421	8.6
460.22797	0.8
461.34586	0.4
647.34937	0.6
665.35425	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.8
59.01250	4.3
62.70919	0.3
69.03326	2.4
70.12725	0.9
71.01253	2.8
71.04889	0.5
73.02845	0.4
78.95776	0.3
83.01290	0.3
83.04904	0.5
85.02828	0.8
87.00765	0.4
89.02322	1.6
93.03331	0.4
95.04915	0.6
98.19961	0.3
101.02328	2.5
109.06474	0.5
113.02329	1.0
119.03458	0.3
125.02374	0.5
135.11682	0.5
145.04933	0.4
149.09581	0.7
161.04466	1.0
161.13234	0.4
167.10710	3.0
168.10939	0.3
177.12775	0.5
179.05557	0.4
179.10721	1.1
179.14340	3.4
195.06596	0.4
195.13863	10.1
196.14153	0.8
205.12280	11.1
206.12636	0.7
223.13354	100.0
224.13678	6.3
235.08205	2.4
253.09291	5.2
275.82153	0.3
331.48044	0.3
349.25647	0.3
385.23685	0.4
411.25229	0.7
429.26538	0.9
441.21182	1.1
459.22421	8.6
460.22797	0.8
461.34586	0.4
647.34937	0.6
665.35425	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	3.7
59.01261	19.3
60.19571	2.9
66.46497	3.5
71.01257	9.7
71.59761	5.6
72.99196	5.3
74.61686	3.1
75.00726	7.3
78.58128	3.2
82.02849	3.6
85.02834	10.9
87.00752	3.3
89.02308	4.6
94.02863	60.8
96.04446	4.7
105.69880	3.1
110.06018	11.7
113.02307	7.1
117.96284	3.1
119.04916	3.8
120.08091	27.7
121.08369	3.8
121.21562	3.4
122.06006	20.5
125.02356	12.1
134.06023	4.3
138.05495	24.6
149.99449	4.0
152.07242	3.9
169.01308	5.9
174.05507	7.4
177.01859	3.7
192.55351	3.2
209.08069	3.8
215.11790	6.4
235.04437	4.5
236.09511	8.3
237.10323	11.2
239.08185	3.5
250.07610	4.1
250.11012	4.8
251.11891	59.4
256.66653	4.0
263.08197	3.1
263.11835	8.2
264.08975	9.8
265.13440	9.2
266.10782	5.6
276.09149	6.1
276.11966	3.3
277.09753	20.2
278.10641	4.3
279.11304	7.5
282.10144	4.0
283.10818	5.0
291.11288	23.2
292.12057	27.8
293.12891	24.2
301.03491	6.9
318.84915	4.0
324.11081	10.2
335.10181	5.0
336.11148	7.3
337.11868	6.8
342.12479	4.0
346.15744	5.5
347.99680	4.0
360.17093	12.8
362.18704	4.9
372.17239	16.2
373.17630	6.2
374.18848	8.4
390.18314	23.9
402.18277	4.0
406.17749	7.5
414.18207	11.9
418.17807	22.3
432.19388	18.6
436.18738	27.5
459.18121	4.8
476.18127	14.0
477.18732	8.2
478.19675	4.8
487.23239	5.0
490.20056	4.7
508.21002	47.3
509.21460	12.2
529.24414	13.8
547.25531	4.8
571.24896	4.8
573.23151	24.0
574.24432	4.6
587.25439	7.2
605.26129	100.0
606.26477	23.8
615.24615	24.9
633.25604	30.1
647.27380	38.0
648.27698	7.1
665.28912	50.3
666.28809	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	665.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47025	1.7
57.93840	1.8
59.01251	23.7
67.83780	1.9
69.03684	1.9
71.01261	19.8
71.56336	1.7
72.99213	1.9
75.92679	1.9
76.24971	1.8
78.95777	4.2
79.79541	1.7
87.00754	2.8
89.02320	20.3
101.02317	13.6
113.02335	8.7
119.03391	10.2
135.69099	1.7
143.03313	2.8
176.19424	1.7
179.05574	3.8
202.90584	2.0
202.92445	2.4
323.02817	3.5
323.13455	100.0
324.13782	6.5
383.11862	4.3
463.09167	1.9
624.09686	2.0
665.21240	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	665.283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	7.5
69.07886	1.8
70.17028	8.0
70.17387	2.8
71.01265	1.8
71.16597	1.8
72.91664	1.8
80.06818	1.6
82.02856	4.1
85.02828	5.1
87.00764	2.3
90.55830	1.8
92.08866	1.8
94.02863	66.3
94.98503	1.7
95.04926	1.9
96.04417	5.1
96.95908	2.1
100.06007	2.0
108.04440	3.1
110.05987	12.8
110.86525	1.9
113.02334	3.2
120.08081	52.8
121.08479	2.5
122.06009	22.5
125.02369	2.6
136.03987	2.0
136.40973	1.8
137.04724	1.7
138.05496	29.7
141.90591	2.0
144.04428	5.2
150.05527	3.2
152.07085	3.2
162.05501	4.3
174.05522	7.7
194.14610	1.9
203.05811	7.5
213.10284	1.7
215.11844	4.5
223.08727	3.3
225.10214	1.8
225.13982	2.2
227.11830	2.3
236.09520	5.9
237.10307	8.1
239.08241	2.2
239.11803	4.2
239.77403	2.0
247.94142	1.8
249.10321	5.2
249.14063	2.1
250.11053	3.2
251.11845	34.1
252.12512	4.6
253.09836	2.9
255.03011	3.6
257.12927	2.2
259.11011	2.3
262.07489	2.2
263.08316	8.5
263.11923	7.1
264.09061	9.1
264.12561	2.0
265.09784	2.0
265.13474	13.2
268.08575	2.4
269.09402	2.2
276.09033	7.6
277.09802	39.1
278.10519	13.7
279.11267	5.2
281.09314	3.0
282.10071	2.3
283.10898	4.5
284.03302	2.8
284.11841	2.7
285.04028	5.2
291.11356	41.9
291.14603	2.6
292.12161	46.4
293.12936	41.2
294.13333	3.0
296.11618	3.8
303.13412	3.8
311.10172	2.4
312.11136	2.3
313.11707	3.1
319.10861	2.4
324.11359	9.4
324.14520	2.6
325.11841	5.2
325.15652	3.1
335.10370	11.5
336.11115	13.8
337.11768	12.1
343.13193	6.1
344.13858	2.8
346.15768	4.3
360.17322	9.0
372.17288	7.6
374.14813	3.3
374.18918	4.9
386.14929	4.3
388.16504	5.6
390.18271	6.4
402.18234	4.4
406.17706	3.8
414.18369	10.8
418.17615	10.8
432.19354	10.9
433.19751	4.7
436.18878	3.7
447.17825	2.7
450.20056	2.6
458.17282	4.7
459.17929	6.7
476.18192	34.1
477.18964	13.1
478.19641	4.7
487.24033	3.3
490.19821	5.3
508.20853	100.0
509.21234	14.6
511.23538	5.5
529.24518	13.6
530.25153	2.6
555.22571	3.9
571.25775	7.4
573.23676	46.6
574.23834	9.8
587.25433	5.1
589.26947	2.9
597.23718	3.9
603.23907	3.3
605.26196	98.7
606.26465	14.3
615.24634	35.6
616.25153	5.6
621.15033	3.3
629.25854	3.3
633.25604	66.0
634.26459	9.6
647.27277	35.8
648.27258	7.3
665.28516	42.5
666.28400	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	665.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85647	0.9
57.03335	1.5
59.01254	19.5
67.33453	1.0
71.01246	4.7
71.57900	0.9
71.58330	1.0
73.02813	2.1
83.01291	1.2
85.02835	3.1
89.02282	1.6
96.95901	1.1
99.00786	1.0
101.02321	2.3
109.02844	2.9
111.00722	1.1
113.02312	1.4
119.04896	2.3
120.65279	1.0
121.02840	3.8
122.03650	1.1
123.00778	3.3
123.04452	1.5
125.02332	10.6
134.03629	1.4
135.04442	1.1
136.01563	52.2
137.02345	10.5
139.03902	2.3
143.04793	0.9
145.02853	2.3
147.04361	1.3
149.02318	2.4
151.00301	12.6
151.03915	65.0
152.01048	1.2
152.04301	2.4
153.05519	1.1
159.04436	2.1
160.05223	2.7
161.02370	1.5
161.04474	1.2
161.05974	1.3
162.03171	1.2
162.59900	0.9
163.03893	2.9
165.01822	1.5
166.02632	45.4
167.03432	6.0
169.01295	1.7
173.02380	1.1
175.03908	6.2
175.07558	1.2
176.04700	1.9
177.01871	6.2
177.05501	2.0
181.04985	47.5
182.05350	2.8
187.03893	1.2
188.04677	1.2
189.05484	3.4
190.06287	5.6
191.03387	5.7
191.07071	1.3
192.04140	1.5
193.05009	1.6
203.03247	1.0
205.04976	3.9
205.08643	2.1
206.05753	3.6
207.06499	1.0
217.05028	2.0
218.05864	0.9
219.06577	1.9
221.04372	1.3
221.08153	6.2
233.08353	1.0
287.05493	0.9
289.07156	1.8
309.07947	1.2
329.10226	2.2
342.10968	2.5
354.11197	1.5
357.09741	13.9
357.13556	8.4
358.10059	1.3
369.13400	9.5
372.12018	12.3
373.12546	2.6
387.14481	100.0
388.14859	10.6
461.17905	1.2
575.21240	6.3
576.20874	1.8
587.21344	6.6
588.22211	1.1
593.22473	1.6
605.22339	23.1
606.22729	5.0
623.23389	13.9
624.24023	2.7
633.25519	1.4
635.23767	1.3
647.24115	1.3
665.24506	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	665.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	3.9
56.21891	1.5
57.03330	8.1
59.01255	50.3
67.01762	2.1
68.99671	2.0
69.03326	2.3
71.01255	38.1
71.59702	2.5
72.99186	9.2
73.02825	5.9
75.00753	30.4
83.01270	5.7
85.02832	32.3
87.00751	13.1
89.02335	7.3
93.03338	2.9
94.02834	2.2
95.01273	6.6
95.16871	1.5
96.95903	4.0
97.02876	2.4
97.09174	1.8
99.00766	14.0
101.02336	8.2
103.00259	3.7
109.02853	3.6
111.00809	2.2
113.02329	45.4
115.00256	3.8
117.01854	2.8
121.02848	3.4
123.00851	2.0
124.01600	2.7
125.02341	13.0
129.01823	4.1
131.03409	2.2
135.04393	2.6
137.02339	3.3
147.02905	2.5
149.02354	3.6
149.04404	1.9
151.00313	7.3
151.03879	2.0
157.01347	2.8
159.02835	2.2
161.04536	1.7
161.09628	2.4
161.13229	2.0
163.00328	3.5
163.11250	2.5
165.01801	2.6
165.03958	10.2
165.09181	2.5
166.02600	2.4
168.00531	4.0
169.01328	6.1
175.02437	4.9
177.01819	1.7
179.03516	2.6
181.04973	2.9
182.96524	1.8
187.11266	2.6
189.09015	3.1
202.99049	1.6
205.12251	5.4
207.04962	2.1
209.08078	3.0
223.13277	3.7
243.02950	2.5
249.06140	11.3
255.02985	3.0
267.07211	47.3
267.12112	2.2
268.07532	2.0
271.02533	4.9
285.04095	2.6
300.02750	2.3
301.03525	48.7
307.45059	1.9
313.03629	3.3
343.04559	10.1
373.05756	15.7
411.59595	1.8
413.15100	2.4
455.18774	2.0
477.06482	4.9
482.75082	1.9
489.26981	2.2
490.11304	12.6
499.18137	5.3
517.19293	100.0
518.19611	10.7
603.23071	2.6
621.24377	3.3
633.25763	2.2
647.21692	3.0
665.21912	36.6
666.23474	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	665.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	7.5
59.01253	16.5
70.96445	1.2
70.96765	1.6
71.01254	15.4
72.99179	5.1
73.02831	3.7
75.00744	23.6
75.01138	1.8
79.03145	0.9
83.01250	2.2
85.02824	13.8
87.00755	4.9
89.02338	5.7
91.69069	1.0
95.01261	2.2
96.95885	2.1
97.02794	1.2
99.00763	10.7
101.02322	5.7
109.02840	1.5
111.66111	0.9
113.02345	16.9
114.03886	1.0
114.32818	1.0
115.00250	2.3
117.01871	1.6
119.03403	2.4
119.04935	1.6
125.02336	9.6
137.02354	1.3
139.76535	1.0
143.03395	1.2
145.02907	1.2
157.01363	1.9
161.02324	1.4
161.04483	2.1
163.03894	1.2
163.31923	0.9
165.05496	1.1
167.03427	2.6
175.02385	3.4
177.01811	1.7
179.05479	1.7
197.06009	3.7
198.06793	9.2
200.07408	1.0
211.06700	1.0
217.05052	1.1
225.05522	20.3
225.07170	0.7
226.06308	24.4
227.06659	1.9
241.08667	100.0
242.09000	5.9
249.51024	1.1
341.14078	2.4
358.36862	1.1
379.08948	1.6
385.12778	1.2
403.14566	1.1
445.14749	1.1
445.59222	1.0
477.29318	1.0
503.18854	1.2
517.17169	1.7
521.20160	4.0
579.17322	1.0
621.18225	56.6
622.18738	9.1
635.26715	1.1
640.64130	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56948	0.2
71.06076	0.4
78.95789	0.5
123.04340	0.2
152.99516	0.3
167.03442	0.4
169.06491	0.2
180.05711	0.2
181.06496	2.5
183.04440	0.9
197.06032	1.7
198.06778	1.9
199.07352	0.2
209.05992	0.4
210.06857	0.2
225.05518	46.3
226.06212	10.2
227.06641	0.6
241.08659	100.0
242.08992	7.6
277.21729	0.8
283.09619	0.2
385.12970	0.9
663.35309	6.3
664.35699	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3753
Annotation	Caloxanthin sulfate
Peak:m/z	Relative Intensity
51.87724	0.9
57.03310	3.4
59.01247	4.8
61.89344	0.9
69.85562	4.2
69.85976	1.7
71.01246	8.1
72.99182	2.4
75.00744	18.8
85.02827	20.6
87.00748	3.6
95.01244	2.1
96.38207	0.9
96.95885	3.8
99.00765	3.7
106.13454	1.2
109.78754	1.0
113.02336	14.5
116.92690	0.8
117.01851	1.0
131.38214	0.9
144.18007	0.9
157.01318	1.5
163.61230	1.0
175.02313	1.2
175.55881	1.4
201.78362	1.0
469.33078	2.6
487.34396	3.3
663.37506	100.0
664.37726	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	665.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94785	0.6
55.01760	0.8
59.01254	5.9
62.06853	0.6
63.02267	0.9
65.00197	1.1
71.58692	1.3
71.59058	0.8
72.99179	1.6
75.00741	4.6
83.01260	1.6
85.02825	3.8
87.00745	1.3
89.02329	1.6
96.95911	0.7
99.00750	0.9
101.02285	0.9
107.01286	1.9
113.02341	4.5
125.02349	3.8
125.03210	0.6
129.01799	0.8
132.02042	1.6
135.00789	0.8
137.02386	0.8
149.02432	0.7
151.00266	3.0
161.02335	1.3
163.00293	1.5
164.00996	0.9
165.03992	3.5
169.01370	2.6
178.99734	1.3
179.03406	1.1
183.04526	1.0
204.30771	0.8
209.08156	1.6
211.03914	1.6
213.05547	0.9
227.03465	44.4
228.03766	3.4
229.05069	1.3
239.03552	0.8
249.06177	1.1
255.02982	75.8
256.03528	8.5
257.04480	2.9
267.07263	2.9
283.02286	1.1
283.28824	0.8
284.03268	100.0
285.03952	18.7
286.04269	1.4
477.10492	0.7
489.10413	1.4
517.19238	6.5
621.14606	66.6
622.14984	9.3
642.26855	0.8
665.23505	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	663.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.4
58.67295	0.3
59.01254	0.6
61.75328	0.3
61.97569	0.3
62.16998	0.3
65.00201	0.8
70.59145	1.2
75.42281	0.3
78.95786	0.5
81.03336	4.5
83.01253	0.5
86.46437	0.3
93.03322	0.4
99.07983	1.6
101.05991	0.7
123.08057	2.5
125.02325	4.3
125.05968	4.7
136.05197	0.5
137.02283	0.4
137.18022	0.4
141.09077	1.1
147.08031	0.6
149.02361	0.9
151.00267	0.7
152.01039	0.9
165.09126	28.1
165.50838	0.3
166.09445	1.3
169.01320	0.5
190.14613	0.3
191.07082	0.9
193.08669	0.4
195.06584	0.5
196.95316	0.4
205.08583	0.8
209.08138	100.0
210.08458	4.4
215.07108	0.5
221.08130	0.6
223.09657	1.6
233.08165	21.8
234.08542	1.2
238.40453	0.4
251.09227	5.6
252.09651	0.4
263.09219	1.2
275.09286	0.5
275.76846	0.3
323.66367	0.3
332.05243	1.2
351.10886	0.3
369.13278	0.9
446.76642	0.4
645.31122	0.4
663.33929	5.1
664.34351	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14776	0.2
57.03322	0.8
59.01254	0.5
59.25318	0.2
63.29570	0.2
65.00188	1.0
67.01790	0.2
70.19435	0.9
71.01284	0.3
78.95772	0.2
80.02542	0.2
81.03333	5.8
83.01270	0.8
93.03329	0.2
95.01282	0.2
95.04935	0.2
97.02822	0.4
99.08032	1.3
101.05984	0.8
107.01281	0.4
110.96135	0.2
118.49875	0.2
121.02863	0.4
122.03590	0.2
123.08044	2.8
124.01571	0.5
125.02346	5.3
125.05974	5.2
126.02673	0.2
135.04453	0.3
136.05188	0.9
137.05974	0.2
141.09106	0.6
147.07008	0.2
147.08052	0.8
149.02342	1.0
149.06017	0.3
151.00276	0.8
152.01044	0.6
165.09125	31.8
166.09435	1.3
167.07097	0.3
175.00262	0.5
177.09116	0.3
179.07043	0.3
191.07045	1.3
193.08646	0.7
205.08641	0.8
208.07413	0.4
209.08136	100.0
210.08470	5.2
215.07028	0.8
221.08148	0.8
223.09734	1.8
233.08151	22.1
234.08470	1.4
251.09232	7.6
252.09631	0.4
263.09241	1.5
275.09329	0.4
645.32788	0.2
663.33923	5.1
664.33899	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.5
59.01256	1.0
65.00202	1.0
69.03311	0.2
69.17306	0.2
69.94079	0.8
69.94490	0.5
71.01271	0.3
71.66293	0.2
78.95791	0.5
81.03332	6.9
83.01272	0.8
93.03359	0.3
95.04908	0.3
99.08028	1.9
101.05984	0.7
107.01295	0.6
107.04886	0.3
109.02860	0.3
121.02870	0.5
123.08048	3.2
124.01515	0.3
125.02341	5.6
125.05983	5.4
125.06657	0.1
127.07551	0.2
136.05190	0.8
141.09125	1.0
147.08072	0.6
149.02321	1.0
149.05951	0.3
150.06775	0.3
151.00279	0.9
152.01079	1.0
154.33218	0.2
165.09129	35.3
166.09451	1.7
167.07150	0.4
175.00308	0.6
177.09125	0.2
191.07060	1.2
193.05098	0.2
193.08615	0.5
205.08652	0.8
208.07314	0.3
209.08139	100.0
210.08470	5.8
215.07062	0.6
221.08101	0.8
222.08868	0.2
223.09743	1.7
233.08160	20.4
234.08430	1.4
251.09242	6.0
252.09758	0.3
263.09167	1.0
270.39120	0.2
275.09207	0.6
291.19553	0.2
312.65793	0.2
313.17813	0.7
341.29333	0.2
359.32889	0.2
390.22446	0.2
663.33728	4.7
664.34265	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	11.9
65.56063	1.4
69.29278	16.5
69.85632	1.4
71.01235	1.4
93.03352	2.5
94.02876	3.6
107.67361	1.3
108.04427	2.0
110.05997	3.6
120.08041	3.5
122.06004	11.2
124.03945	4.7
136.03906	4.5
137.02351	2.7
138.05489	5.5
147.05505	3.3
150.05501	4.7
160.03929	3.0
161.04669	2.2
174.05472	4.8
175.05022	4.7
201.10252	15.2
203.05815	2.9
203.11781	2.4
213.10265	7.9
215.11794	2.8
227.11809	4.7
229.09804	22.2
229.13396	6.6
239.11890	7.1
241.09880	2.4
245.12830	2.3
247.10840	4.1
255.11328	4.5
257.12903	5.3
267.11658	2.7
273.12415	6.3
275.13861	1.6
283.10861	3.4
285.12576	1.9
289.11923	4.6
301.11874	25.5
302.12305	1.9
309.12292	2.4
313.83191	1.6
319.12973	100.0
320.13245	11.0
327.13480	2.6
330.12411	1.8
343.12933	4.6
346.15933	2.4
372.13303	3.2
378.18335	1.9
386.15079	4.7
387.15833	3.7
388.16513	3.1
404.16068	10.7
405.16769	4.4
413.10834	1.9
414.14282	2.0
418.13736	2.0
419.14795	2.7
428.16083	2.8
432.15704	5.1
437.15903	5.0
446.17645	7.5
447.17670	5.1
491.16751	1.8
519.25574	1.8
527.22931	6.1
539.22729	2.8
545.24121	19.7
546.24664	2.1
551.23047	4.5
557.24097	2.2
569.23993	12.6
587.25085	58.5
588.25299	11.1
590.23907	3.5
601.22736	1.9
613.22925	5.9
631.23999	70.2
632.24493	12.0
645.25629	3.7
663.26703	48.3
664.27203	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	663.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24468	1.0
59.01244	6.1
70.49739	1.1
71.01254	3.6
71.58142	1.5
72.35780	1.2
72.99180	21.2
73.02830	1.2
75.00761	1.1
85.02828	2.7
89.02364	1.2
93.03320	3.0
96.95907	2.9
99.00742	1.3
101.02329	1.1
103.97697	1.0
109.32949	1.1
113.02314	5.5
115.36440	1.2
117.03327	1.4
119.04920	100.0
120.05221	2.3
125.02326	5.0
131.03471	1.3
135.04263	1.1
136.03989	1.4
136.43805	1.1
137.02376	3.3
145.02841	3.3
162.03136	2.3
163.03925	62.2
164.04225	2.3
167.03366	2.0
169.01346	2.4
177.01875	1.4
179.10678	4.8
237.99007	1.1
246.95152	1.2
277.07138	2.6
307.08163	1.7
413.10919	1.4
431.12390	1.4
439.12457	17.1
440.12793	1.3
457.13461	22.8
458.13693	2.3
521.32745	1.2
540.23187	1.4
569.95306	1.2
619.24152	4.8
620.23975	1.8
631.25360	1.6
663.22235	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	663.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24468	1.0
59.01244	6.1
70.49739	1.1
71.01254	3.6
71.58142	1.5
72.35780	1.2
72.99180	21.2
73.02830	1.2
75.00761	1.1
85.02828	2.7
89.02364	1.2
93.03320	3.0
96.95907	2.9
99.00742	1.3
101.02329	1.1
103.97697	1.0
109.32949	1.1
113.02314	5.5
115.36440	1.2
117.03327	1.4
119.04920	100.0
120.05221	2.3
125.02326	5.0
131.03471	1.3
135.04263	1.1
136.03989	1.4
136.43805	1.1
137.02376	3.3
145.02841	3.3
162.03136	2.3
163.03925	62.2
164.04225	2.3
167.03366	2.0
169.01346	2.4
177.01875	1.4
179.10678	4.8
237.99007	1.1
246.95152	1.2
277.07138	2.6
307.08163	1.7
413.10919	1.4
431.12390	1.4
439.12457	17.1
440.12793	1.3
457.13461	22.8
458.13693	2.3
521.32745	1.2
540.23187	1.4
569.95306	1.2
619.24152	4.8
620.23975	1.8
631.25360	1.6
663.22235	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	663.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16025	1.8
56.09129	1.8
57.03321	2.7
57.18198	2.1
59.01247	4.5
60.40279	1.8
69.03338	4.0
71.01252	11.2
73.02811	17.9
85.02339	2.8
85.02824	29.8
87.00755	100.0
92.40762	1.7
95.01254	6.0
97.02830	22.8
103.03891	9.2
113.02328	7.3
113.94127	1.9
115.00255	12.0
119.51591	1.6
127.95694	2.0
157.01328	8.9
175.02396	49.4
217.03502	15.9
303.07181	25.0
304.07684	2.7
321.08331	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.7
59.01258	6.1
69.03322	0.7
69.77285	3.5
71.01247	4.7
72.99181	21.7
73.02829	1.4
75.00742	1.8
85.02819	5.6
87.00759	1.0
89.02327	1.1
89.03890	0.8
95.01234	1.2
96.95860	1.3
98.19831	0.9
99.00764	2.3
101.02311	2.1
113.02318	5.8
117.03332	3.4
119.04913	100.0
120.05238	2.7
120.06094	0.9
121.02849	5.7
125.02268	4.1
125.31805	0.9
132.02016	1.2
133.02785	1.3
133.06436	0.8
134.02634	1.8
134.03624	28.4
135.04369	3.7
137.02296	2.6
139.03864	1.6
145.02847	4.8
147.04399	0.9
149.02356	23.4
149.05960	8.3
150.03059	3.7
152.01109	1.4
160.01607	4.3
161.02293	2.4
161.06015	1.9
162.03192	0.8
163.03912	57.2
164.04689	13.3
165.01779	1.8
165.05428	1.6
169.01283	1.7
175.00259	4.3
175.03896	4.9
176.00931	1.1
177.05475	1.4
178.02626	8.2
179.03394	2.4
179.07031	2.4
187.03909	0.8
190.02618	8.6
191.03400	2.3
193.01308	3.2
193.03305	1.8
193.04982	22.8
194.01830	1.3
194.05328	1.2
205.04979	8.0
208.03693	6.5
209.04482	5.6
219.06453	1.0
223.06064	20.3
223.07959	0.8
224.06354	0.8
267.07220	0.8
273.12366	1.5
277.07315	1.1
296.57288	1.0
439.12540	9.7
457.13495	59.7
458.13803	6.5
469.13391	3.5
487.14566	22.4
488.14743	2.3
488.91226	0.9
603.17511	1.6
663.19043	10.9
663.28644	1.7
664.19458	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	663.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92336	1.2
59.01250	3.9
71.01251	2.4
71.58099	1.1
71.58533	1.0
72.99168	1.2
75.00743	2.1
89.25990	0.9
93.03335	33.8
96.95885	2.7
99.00764	1.3
102.44035	1.1
102.53671	1.0
125.02307	2.8
125.39655	1.1
137.02344	100.0
138.02673	4.2
138.05460	1.1
148.05176	3.6
150.03075	1.8
163.03969	1.3
163.07536	2.9
165.05466	5.6
165.41159	1.2
168.59193	1.2
172.38828	1.0
183.23225	1.1
195.06514	3.3
208.31155	1.0
385.13022	3.6
481.15994	1.8
508.20786	1.2
533.18286	1.8
591.21973	1.6
603.22290	2.7
618.27136	1.1
619.28937	2.2
639.52747	1.3
678.95355	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.6
57.38495	0.4
59.01236	0.9
59.44381	0.3
61.98698	0.6
65.00180	0.9
67.01711	0.3
69.53752	0.3
71.01239	0.8
73.99483	0.4
78.95782	1.7
81.03333	6.0
82.95274	0.9
83.01263	0.6
97.02850	0.5
98.20545	1.0
99.08038	1.4
101.05960	0.5
107.01240	0.7
109.02859	0.6
123.04396	0.4
123.08037	2.8
125.02345	5.2
125.05991	5.4
136.05197	0.9
139.03842	0.4
141.09090	0.8
147.08026	1.0
149.02319	0.8
151.00269	0.7
152.00977	0.7
152.99542	1.1
165.09123	30.6
166.09474	1.8
169.01431	0.6
177.09042	0.5
191.07074	1.1
193.08643	0.8
205.08601	0.7
209.08136	100.0
210.08452	5.8
215.07059	0.7
221.08124	0.6
223.09752	1.5
229.43848	0.4
233.08148	19.5
234.08519	1.3
235.09689	0.5
251.09215	7.6
252.09602	0.5
263.09274	1.2
275.09262	0.8
306.14264	0.3
350.56790	0.4
643.32648	0.5
661.32043	3.0
662.33087	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.9
59.01253	14.6
61.98695	3.6
63.24271	1.2
63.81300	1.2
71.01264	11.7
72.99200	1.9
73.02805	2.5
75.00758	3.0
75.63380	1.1
78.95786	2.4
83.04905	2.8
85.02825	5.7
87.00780	2.7
87.63145	1.4
89.02315	7.4
93.03379	2.3
95.11945	1.1
96.95880	9.9
99.00739	1.6
100.28230	1.1
101.02329	6.5
113.02332	5.8
123.00744	2.1
123.04382	1.5
125.02363	9.1
127.03906	6.0
135.04263	1.3
137.02350	4.8
139.07483	1.8
147.04416	1.3
151.07523	1.3
153.12794	1.6
161.04448	2.2
167.03279	1.3
169.01256	1.9
171.10156	2.3
177.01872	2.3
177.76134	1.4
183.13820	11.4
189.01810	2.2
195.06644	1.6
195.13834	30.9
196.14182	1.6
201.11311	1.4
209.11775	4.9
211.13348	40.5
212.13693	3.0
213.14926	10.9
215.12851	2.5
217.01442	2.1
253.09225	4.0
285.03629	1.7
315.27054	3.0
359.25925	3.9
374.73700	1.4
377.26981	4.0
389.26791	1.6
407.28119	4.7
425.29111	24.1
425.34592	2.1
426.29617	2.3
617.28302	5.6
617.38562	2.9
643.33893	1.7
661.38129	100.0
662.38635	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.4
59.01247	0.8
65.00191	1.0
71.01252	0.6
78.95780	4.4
81.03331	6.0
83.01265	1.0
94.61380	0.3
95.01308	0.3
95.04874	0.4
97.02831	0.9
99.08022	1.6
101.05949	1.1
107.01271	0.3
121.02818	0.4
123.08044	3.0
124.01593	0.4
125.02336	4.6
125.05987	6.1
127.07515	0.3
136.05159	0.7
141.09137	0.9
147.08061	1.2
149.02347	1.1
150.06662	0.4
151.00285	0.9
152.00964	0.8
152.99480	2.8
165.09129	35.2
166.09460	1.5
171.00558	1.4
175.00305	0.7
179.07080	0.4
191.07091	1.1
193.08655	1.0
197.11693	0.4
200.05040	0.3
205.08661	1.1
209.08145	100.0
210.08496	4.9
215.07153	0.7
221.08112	0.6
223.09740	2.1
233.08168	22.9
234.08482	1.2
251.09233	10.2
252.09531	0.6
263.09247	2.3
275.09161	0.4
295.22775	0.3
356.56793	0.3
433.23660	0.6
563.24915	0.5
643.31537	0.7
661.32336	6.9
662.32971	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06657	2.1
59.01260	13.7
66.26476	1.9
66.33901	1.9
70.27507	4.4
70.27909	5.0
71.01240	9.5
71.01587	2.3
72.99175	3.1
75.00742	8.5
78.95784	2.4
82.83197	2.1
85.02824	7.9
85.67893	1.9
87.00755	3.1
91.10987	1.9
96.11684	2.1
96.95869	14.5
97.02755	2.1
98.20577	2.0
99.00759	3.4
107.03647	5.0
110.06002	7.7
113.02316	10.6
119.04859	2.9
120.07992	2.5
121.05224	2.4
122.06005	41.5
125.02322	4.5
134.06021	4.6
137.02347	2.9
173.66464	2.0
221.44124	2.1
248.09540	5.0
249.10339	6.5
251.11725	2.8
261.10352	5.9
262.11087	8.2
263.08752	2.7
263.11865	14.5
264.12640	6.3
265.13373	6.3
269.08310	2.4
275.08157	3.9
276.09012	27.3
277.09662	8.9
278.10590	5.7
290.10565	5.9
291.11386	68.0
291.14642	3.6
292.11938	13.1
293.12924	6.0
295.10736	2.3
321.12454	5.2
322.13254	3.5
323.13953	56.8
324.11078	3.5
324.14359	6.7
356.14047	4.4
358.15536	6.0
360.17276	4.3
372.17197	7.0
384.17282	5.3
385.17978	2.5
386.14615	5.0
386.19278	10.5
390.18143	3.1
398.14899	8.4
400.16678	7.2
401.17429	3.8
404.15933	6.5
412.16602	8.0
413.17337	16.3
414.18005	6.0
416.15964	8.5
418.17569	5.8
430.17926	13.9
431.18622	6.6
432.19012	10.2
433.19907	3.6
434.16611	11.8
444.19449	12.2
445.20148	6.2
448.18933	3.4
462.20419	25.0
463.21051	8.4
477.18942	3.4
489.19016	8.9
506.19330	12.1
507.20074	100.0
508.20215	17.2
535.23700	7.8
538.21942	12.7
553.24323	14.1
554.24750	2.7
567.26031	7.8
585.27142	35.0
586.27472	4.5
597.23346	4.1
599.25092	4.3
611.25165	15.6
612.24542	3.3
617.28015	22.4
618.28870	3.6
629.26141	98.2
630.26526	17.1
661.28442	8.8
661.36127	4.4
662.29016	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	661.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00741	2.2
59.01251	17.8
66.68884	2.0
68.32384	2.2
71.01254	7.8
75.00748	5.2
78.95742	3.4
85.02826	5.9
94.06580	2.4
96.95863	6.0
98.20535	7.0
99.00736	4.1
101.02329	3.5
106.06515	4.5
110.06007	6.8
113.02320	5.2
121.05235	3.5
122.06011	44.5
125.02326	3.3
134.06033	12.8
144.04431	3.6
146.05933	2.7
160.06354	5.7
161.04698	2.2
169.01244	2.6
174.05473	9.0
180.06569	6.2
186.05501	4.7
187.06264	2.8
188.07100	5.2
193.22836	2.4
201.10187	3.7
203.05740	2.7
203.11722	2.5
208.89650	2.5
213.10326	29.0
215.11818	2.6
223.08548	2.9
224.09502	3.7
226.11072	3.2
236.09300	2.5
237.10220	4.2
239.11859	27.4
240.12329	3.4
241.13467	19.7
249.10329	3.1
251.08275	3.9
251.11830	9.6
263.08179	4.1
263.11786	3.8
264.08984	11.6
265.09830	13.2
266.10464	3.0
267.11285	6.7
275.11670	2.6
277.09937	4.2
278.07333	2.7
278.10416	3.7
279.08191	3.7
279.11377	17.0
280.11890	2.8
281.09488	3.2
283.10938	3.8
285.12457	72.0
286.12704	3.5
291.07828	4.1
291.11346	11.1
292.08569	14.2
293.09262	11.8
293.12961	8.5
295.13477	4.1
301.12088	6.0
306.10123	6.0
307.10883	49.9
308.11618	20.8
309.12329	2.9
311.10434	5.1
323.10345	3.3
335.10202	3.0
340.10550	6.9
343.12906	4.9
350.09061	14.6
351.09814	36.8
352.10272	6.0
354.15903	3.2
356.13864	8.7
365.11334	4.6
368.17664	2.7
369.14679	3.4
370.15610	10.6
371.15964	4.2
372.17194	5.8
383.12585	3.7
384.13428	3.2
397.13791	3.1
398.15210	17.8
399.15454	3.9
403.15204	6.2
412.16568	12.8
413.17377	13.6
418.17722	4.2
428.16144	3.1
430.17596	12.0
447.18033	5.3
448.18634	9.7
456.15436	3.7
457.15976	3.8
474.16769	5.6
485.25095	2.7
488.17795	3.8
491.17099	4.8
492.17743	16.3
506.19315	37.4
507.19531	5.6
511.23602	8.2
520.20392	4.4
524.20441	6.6
535.23523	22.3
538.21942	57.8
539.22009	9.0
553.24640	61.9
554.24701	12.2
556.23572	3.3
567.25848	3.2
579.22247	5.2
585.26984	6.9
597.23572	57.1
598.23627	8.5
611.24976	6.9
617.28375	5.6
628.92633	3.0
629.26263	100.0
630.26343	19.1
643.26111	2.3
661.27905	30.2
662.29120	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	661.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50315	1.3
57.03314	7.4
59.01250	34.0
63.19921	1.3
69.03342	1.9
71.01254	27.3
72.99172	6.7
73.02825	7.4
75.00744	29.1
78.95794	2.5
80.75964	1.2
83.01254	4.3
84.02053	1.5
85.02825	32.4
87.00744	9.6
89.02313	7.6
95.01259	6.2
96.95886	6.4
97.02866	1.7
99.00758	12.3
101.02332	7.7
112.01601	1.8
113.02330	35.6
114.02633	1.1
115.00280	2.5
119.03416	2.1
123.04359	1.3
125.02337	21.1
131.03378	2.4
134.03632	3.9
137.02338	9.9
145.02837	5.2
149.02361	4.5
150.03123	4.3
151.00290	1.3
151.03783	1.3
157.01337	1.5
159.04425	1.5
161.02376	1.4
161.04404	1.4
161.57201	1.2
165.01837	4.5
165.05516	3.5
169.01237	1.5
173.04456	4.8
175.02426	5.1
175.03894	2.1
187.03983	2.0
191.05585	1.5
193.05045	5.2
195.06563	2.3
227.07077	1.9
229.54333	1.5
253.04977	3.2
271.06058	9.8
289.07233	2.1
401.77515	1.3
421.12686	1.8
441.85199	1.2
511.15793	2.2
617.28162	100.0
618.28461	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	661.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.7
57.03324	6.8
59.01251	39.5
60.34252	0.9
65.95295	0.8
68.99695	0.9
69.03332	1.9
70.15807	0.7
70.53022	2.7
71.01250	24.3
72.01657	0.8
72.99180	5.5
73.02816	3.5
75.00745	29.5
83.01260	3.1
85.02817	36.2
87.00751	9.7
89.02324	2.9
95.01248	4.4
96.95894	2.1
97.02827	2.0
99.00753	12.0
101.02319	5.7
103.00239	1.5
111.00753	1.6
113.02324	29.7
115.00269	2.4
117.01820	2.4
117.53004	0.8
120.08089	1.7
122.05972	1.1
125.02341	3.3
129.01802	2.1
135.04385	2.4
137.02322	2.4
157.01341	1.0
161.04404	1.6
161.27542	0.8
175.02425	5.1
207.06534	1.5
240.89223	0.9
301.22031	0.8
377.06961	5.3
378.31836	0.8
399.23914	1.5
406.90198	0.8
433.19409	1.5
434.19547	1.8
513.27142	1.6
557.26428	2.5
600.40924	1.1
617.28088	100.0
618.28424	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	2.5
57.03320	6.7
59.01254	37.7
61.98706	1.9
66.96265	1.8
67.01759	1.5
69.03319	1.9
69.81324	1.3
71.01260	39.3
71.60805	1.8
72.99184	6.9
73.02830	10.9
75.00751	33.9
83.01258	4.5
83.04903	7.4
85.02828	36.2
87.00767	11.0
89.02319	7.9
95.01291	3.7
96.95885	9.4
97.02834	2.9
97.83761	1.4
99.00756	9.3
101.02325	12.1
109.02801	2.4
109.11220	1.5
111.00763	2.6
113.02336	31.8
113.58418	1.7
115.00262	1.8
116.92727	1.6
117.01819	2.3
119.03403	1.7
122.03674	1.9
125.02335	11.4
127.03901	16.9
131.03375	4.0
137.02362	4.9
139.07584	7.4
149.02370	2.4
149.04503	1.9
157.01283	2.4
161.02402	1.6
165.01823	2.7
165.05496	6.9
169.01334	1.5
171.10164	1.7
173.04500	7.4
175.02390	4.4
177.01836	2.4
189.01874	3.2
191.05511	2.9
197.11789	12.7
201.11263	4.9
209.03061	1.8
209.11794	11.2
210.12421	2.2
215.12668	2.2
216.64540	1.7
253.09470	1.9
289.07257	1.7
437.33185	1.8
455.34100	2.2
533.33179	4.0
593.72937	1.7
617.28278	100.0
617.38928	10.0
618.28674	12.6
661.23578	1.9
661.36841	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	661.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.4
57.03318	5.0
59.01254	33.2
67.39433	0.9
69.03310	1.6
71.01255	26.0
72.99172	6.2
73.02831	4.3
73.38344	0.8
75.00746	27.1
78.68394	0.9
83.01258	3.4
85.02823	26.8
87.00754	8.5
89.02322	2.8
95.01272	4.5
96.95829	1.4
97.02821	1.1
98.19839	2.4
99.00767	10.7
101.02326	4.9
103.00255	1.2
113.02328	31.7
114.02645	0.8
115.00253	2.6
117.01797	1.2
120.08060	1.2
122.06015	1.5
125.02324	2.8
129.01805	1.6
135.04387	1.4
137.02357	1.3
157.01328	1.6
161.04489	1.5
175.02417	6.3
175.03697	1.1
182.77391	0.9
307.99539	1.0
330.73511	0.9
377.07208	4.5
434.20190	1.3
443.11377	0.9
557.26233	1.6
617.28149	100.0
618.28455	13.2
651.03967	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	11.2
59.01253	43.8
59.14714	1.5
61.98715	1.7
69.30106	4.2
69.30511	13.0
69.96886	1.6
71.01251	32.1
72.99173	9.6
73.02822	6.8
73.07999	1.4
75.00755	34.3
83.01262	6.7
85.02829	44.2
85.03348	2.1
87.00759	9.8
89.02309	6.0
93.03338	6.9
95.01283	5.2
96.95895	7.2
97.02852	3.7
98.20383	6.6
99.00774	12.9
101.02326	7.3
103.19879	1.5
109.02851	5.4
111.00779	2.6
113.02333	38.5
114.02663	2.1
115.00275	4.1
117.01845	1.8
119.04869	2.6
122.05923	1.7
123.04431	4.4
125.02332	16.4
127.03852	1.5
129.01845	3.6
135.04384	2.0
137.02344	17.6
145.02809	2.3
157.01413	1.5
159.06024	1.8
161.02365	3.8
161.04532	1.6
163.03778	1.9
165.01805	2.6
165.05449	1.7
167.03284	1.6
169.01320	3.6
175.02335	4.8
177.01888	2.6
177.74066	1.7
209.02951	1.8
209.11717	3.7
212.74374	1.7
255.02844	1.6
285.03882	2.2
288.52609	2.0
325.72754	1.8
341.06482	1.9
356.33139	1.9
377.07358	4.0
399.24182	1.8
441.07584	1.8
513.27338	2.3
557.26624	1.8
617.28210	100.0
618.28668	15.6
661.34338	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	661.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	20.1
59.01256	14.7
61.11684	0.8
65.11572	0.8
67.01762	0.9
68.99699	0.9
69.03331	2.2
71.01257	11.0
71.60760	1.6
72.99195	2.4
73.02820	2.9
75.00752	7.6
76.99367	0.8
81.03336	3.1
82.70258	0.8
83.01270	9.5
85.02827	10.6
87.00768	2.2
89.02325	2.5
93.03339	4.1
95.01285	1.6
95.04924	2.1
96.95897	3.8
97.02840	2.2
99.00772	3.9
101.02341	3.3
101.99934	0.9
108.02048	1.9
109.02828	9.8
111.00777	3.3
113.02331	10.3
115.00281	1.1
115.05402	1.0
117.01818	1.4
117.03359	2.4
119.04921	1.6
121.02867	6.1
122.03649	2.9
123.00816	0.9
123.04404	4.0
125.02348	100.0
126.02671	2.7
129.01901	1.0
131.04967	0.9
132.02095	1.3
133.02869	2.2
134.03636	12.5
135.04456	4.6
136.98912	1.1
137.02357	50.9
138.02728	1.4
139.00298	0.9
139.03963	1.4
145.02864	28.9
146.03581	2.7
149.02371	17.8
149.06007	5.0
150.03157	22.9
151.03856	3.3
157.06490	1.3
159.04443	11.6
160.01590	7.7
161.02374	6.8
161.06007	8.5
162.03091	2.0
163.00298	1.1
163.03923	2.5
164.01083	4.0
164.04671	2.1
165.01866	17.1
165.05501	21.8
166.05873	1.3
167.03397	2.4
169.01338	2.7
173.02324	1.2
174.03221	1.2
175.02469	1.6
175.03888	10.3
177.01805	2.1
178.02605	4.3
179.03416	2.5
180.04170	2.3
181.05017	2.0
183.04456	2.9
184.05127	1.4
185.02554	1.0
185.06065	5.5
187.03912	7.1
188.04828	1.3
189.01810	1.1
192.39352	1.0
193.05017	23.0
195.06578	12.8
196.06935	1.4
201.05551	4.4
202.06242	1.6
203.03362	1.2
203.07062	5.8
205.05006	1.1
209.06075	2.6
209.11845	1.2
211.03941	2.1
212.04732	1.9
213.05508	2.2
217.01419	2.1
225.05586	1.8
227.03534	1.4
227.07106	4.1
229.04965	2.9
230.02115	2.3
241.05038	9.2
242.05730	1.3
243.06602	1.1
245.08138	3.5
253.05034	11.9
254.05618	1.4
255.06657	2.1
256.03647	1.1
256.07385	1.1
267.06549	1.1
271.06131	50.0
272.06519	3.6
284.06897	1.4
289.07190	12.7
305.07083	1.3
314.07980	1.6
315.08746	2.6
341.06589	1.9
341.10306	3.5
342.47226	1.1
379.11862	1.9
389.12463	3.8
419.11154	1.4
420.12192	5.0
421.13052	8.7
455.23135	1.3
463.14078	0.9
465.11728	1.5
475.13846	1.3
499.19714	1.7
511.16125	15.9
569.18060	1.4
617.20245	3.7
617.28693	20.5
618.28625	2.3
661.18262	1.7
661.27637	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.349
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07014	0.4
59.01251	100.0
60.01582	1.1
61.98708	1.6
65.63713	0.4
68.64388	0.4
70.72091	0.4
73.17241	0.5
76.27741	0.5
78.95785	8.6
82.44075	0.5
85.62334	0.4
92.66359	0.4
96.96870	0.5
110.50983	0.4
110.77111	0.4
117.48163	0.4
141.01601	72.7
142.01949	1.2
152.99538	3.8
171.00577	0.5
195.70291	0.5
199.13297	0.5
212.13377	0.5
221.76241	0.5
244.49002	0.4
279.23297	3.0
295.22733	1.4
296.23105	1.3
336.18152	0.5
363.12180	0.9
385.57211	0.5
396.39328	0.5
431.22104	0.6
432.22311	1.3
504.30658	3.6
520.15479	0.6
660.35504	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01587	1.2
60.76090	0.4
61.98703	0.7
64.56770	0.4
69.38002	3.8
78.95781	6.5
78.96213	0.5
85.28130	0.4
92.78083	0.5
96.96859	0.5
97.02794	0.4
141.01601	72.1
142.01964	0.9
146.17734	0.4
152.99466	4.3
153.99942	0.4
164.77354	0.4
167.66690	0.4
207.85616	0.4
211.13367	0.9
227.12628	0.5
233.80176	0.4
279.23318	3.8
290.74750	0.4
295.22787	0.7
362.52097	0.5
363.12143	0.6
432.22351	0.5
504.30991	2.2
660.36188	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	659.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94815	1.5
53.23673	1.4
57.03326	3.1
59.01254	10.3
71.01249	16.7
72.99192	3.7
75.00748	15.1
78.95805	2.0
80.78846	1.4
84.08537	1.4
85.02829	20.6
87.00768	8.5
89.02312	3.4
95.01258	3.6
99.00761	8.6
101.10336	1.6
103.00207	1.6
113.02332	26.9
114.02628	1.6
117.01800	3.0
130.55359	1.5
145.31287	1.5
171.10190	40.2
175.02380	5.7
229.31836	2.1
249.06117	4.5
252.10335	1.7
255.23277	77.2
256.23593	6.3
302.64746	1.5
403.16318	2.7
418.10184	1.6
421.16904	2.7
487.29312	2.8
505.30005	9.4
558.74023	1.8
564.04761	1.6
576.64880	1.8
659.40106	100.0
660.40399	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	659.432
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
69.85313	0.7
71.59472	1.1
78.95779	7.1
96.96860	1.1
111.76851	0.6
146.51274	0.6
152.99513	3.0
171.10147	0.9
225.11131	0.7
257.14655	0.7
279.23264	4.3
280.23706	0.8
379.11853	1.0
415.22601	1.1
641.35620	0.9
659.35730	1.1
682.14795	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	6.2
70.07280	1.7
70.07693	3.6
74.30066	0.8
74.91177	0.8
78.95776	27.5
93.03346	0.9
98.07403	0.8
117.03325	3.5
119.04921	79.6
120.05254	3.3
121.46999	0.9
132.05649	1.4
135.51381	0.9
145.02843	5.5
149.02269	1.0
152.99490	8.6
163.03923	87.0
163.11368	1.0
164.04245	3.4
171.10179	1.1
181.12320	1.0
211.13326	1.9
225.11243	3.7
253.73587	0.9
277.78223	1.0
279.23309	7.7
293.21359	1.1
344.00012	0.9
361.10800	1.6
363.13281	0.9
379.11636	2.9
415.22256	1.8
435.32486	1.3
449.34406	1.1
495.34756	26.5
496.35086	3.4
659.39569	100.0
660.39996	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49699	0.8
52.59533	0.8
52.68636	0.7
55.01750	1.5
57.03317	5.7
59.01255	11.9
61.98704	1.1
68.99692	1.2
69.03304	1.2
70.31647	0.8
71.01260	24.6
71.57378	1.1
71.57819	1.0
72.99185	5.4
73.02802	2.7
73.32336	0.8
75.00748	23.2
78.95802	1.5
80.04935	1.6
83.01247	3.6
83.04919	1.1
85.02826	30.6
87.00746	8.4
89.02307	4.5
93.03345	1.0
95.01254	4.2
96.95882	1.2
99.00768	6.1
101.02348	5.4
109.02832	1.5
111.00757	2.1
113.02331	23.5
115.00234	1.9
117.01840	1.4
118.93665	0.9
125.02376	5.2
126.96670	0.9
129.01845	1.0
132.09306	0.9
134.18353	0.9
139.11295	0.9
150.03165	0.9
152.99413	1.1
169.01297	1.0
175.02394	2.7
207.58345	0.9
281.09216	1.0
289.07104	1.8
301.07141	1.7
327.09131	1.1
378.02393	0.9
597.23035	1.5
659.32849	100.0
660.33325	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	659.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05910	1.2
57.03317	2.5
59.01251	11.0
61.98707	1.6
63.75189	1.1
71.01262	8.9
71.60374	2.0
72.99183	2.8
73.02821	2.4
81.03315	2.2
83.01248	2.4
83.04892	6.8
85.02822	5.0
87.00769	2.8
89.02313	3.7
95.01201	1.4
95.04945	1.7
96.95889	2.9
97.06445	5.7
98.95477	1.7
101.02325	9.5
107.04913	4.6
113.02297	3.1
119.03364	2.0
125.02310	4.8
134.03603	2.5
135.04401	9.0
137.02365	3.7
151.11189	16.0
152.11491	1.6
161.04456	3.0
163.11186	5.1
165.05461	2.5
165.12788	2.7
169.01221	1.5
169.12265	100.0
170.12579	6.9
171.10185	1.4
183.13861	1.9
189.98384	1.4
191.10760	1.8
195.10255	2.6
197.11722	2.9
199.13358	1.6
209.11775	85.8
210.12114	10.4
211.13487	14.2
212.13663	6.7
213.11322	17.6
213.13718	2.3
214.11627	1.4
225.11229	1.5
227.12852	11.5
228.13182	1.7
235.08215	2.8
240.03928	1.3
253.09256	6.6
255.02975	12.1
256.03687	3.5
283.02393	10.8
284.03149	8.8
285.04031	3.2
285.12476	3.6
304.11960	1.2
431.19250	5.2
449.20190	13.0
551.23187	2.8
557.93134	1.4
611.15387	1.8
627.23645	1.5
641.32312	2.9
659.32922	96.4
660.33191	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	659.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.6
57.03319	5.0
59.01252	11.4
62.13573	0.5
67.01756	0.7
68.99697	1.0
69.03309	0.7
71.01256	24.1
71.28294	0.7
71.28640	0.7
72.99191	5.0
73.02822	2.8
75.00748	26.2
77.54570	0.5
83.01237	3.2
83.40155	0.5
84.02047	0.5
85.02821	28.8
87.00756	6.5
89.02320	3.4
95.01288	3.0
96.95898	1.0
97.02786	0.7
98.19630	0.6
98.20216	1.0
99.00753	7.3
101.02345	5.1
103.00242	0.9
109.02840	0.7
111.00742	1.3
112.01497	0.8
113.02331	25.1
115.00250	2.7
117.01817	1.4
119.03357	0.6
125.02334	1.4
129.01865	0.9
131.03358	0.7
157.01318	1.0
173.04463	0.7
175.02403	2.3
258.09833	0.5
340.31082	0.6
436.60742	0.6
483.29651	1.0
488.75732	0.6
641.32452	1.0
659.32843	100.0
660.33203	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.5
57.03332	5.5
57.71738	1.0
59.01248	14.1
65.00170	1.5
71.01252	25.1
71.57575	1.9
71.57953	1.8
72.99178	4.5
73.02810	4.2
75.00746	28.8
78.95804	2.5
80.06690	1.1
83.01255	4.9
85.02346	1.9
85.02826	28.3
87.00740	9.2
89.02328	3.9
95.01254	3.5
96.95889	27.2
99.00763	7.4
101.02335	6.5
109.02871	1.1
111.00755	1.5
113.02321	24.3
113.66727	1.0
115.00269	2.0
124.11532	1.2
124.14246	1.1
125.02355	6.8
130.58731	1.3
132.27632	1.1
151.00284	4.8
153.01805	1.9
161.04277	1.2
169.01311	3.1
175.02374	3.4
177.01804	1.3
178.99754	5.1
205.01363	2.6
214.02676	2.7
217.05061	1.3
298.04834	1.5
313.07193	1.8
411.03812	4.0
428.00745	1.8
515.13495	4.0
516.13776	1.6
533.14728	12.9
534.14911	4.2
555.16351	1.4
615.26721	1.9
641.16345	1.9
641.32141	1.7
659.32837	100.0
660.33142	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	659.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.5
59.01249	4.9
71.01256	3.9
71.57798	0.3
72.99181	0.6
73.02818	0.6
75.00710	0.3
78.95767	0.4
83.01241	0.6
85.00550	0.2
85.02823	1.5
86.02695	0.2
87.00729	0.5
89.02316	3.0
95.01266	0.6
96.95894	0.3
97.02808	0.3
99.00792	0.5
101.02321	7.4
101.27474	0.2
113.02326	3.7
119.03389	6.7
125.02321	1.5
131.03378	0.6
134.03577	0.3
137.02271	0.2
143.03398	0.9
161.04468	3.8
169.01292	0.7
179.05595	0.4
181.38341	0.2
193.05022	0.3
221.06616	2.6
241.95557	0.2
272.90652	0.2
323.09766	0.8
335.22256	100.0
336.22607	10.5
349.24020	0.9
357.13281	0.2
377.23395	1.2
381.47144	0.2
407.24585	0.3
419.24356	0.2
497.27756	0.7
539.28662	1.3
615.26410	0.5
659.32953	2.1
660.33038	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09816	1.0
52.96312	1.0
53.26814	1.1
55.01746	1.5
57.03319	2.6
59.01251	54.3
64.64337	1.2
69.03295	1.4
69.33049	5.2
69.33475	7.1
71.01253	39.1
73.02814	34.6
83.01266	3.8
85.02806	6.5
87.00762	1.8
88.39001	1.1
89.02314	21.3
91.44645	1.0
95.01240	2.1
97.02840	2.0
98.20498	2.3
99.00758	91.5
100.01087	1.8
101.02330	15.3
107.01301	1.3
109.02834	6.2
113.02324	14.4
125.02357	11.2
130.09322	1.1
131.03403	6.7
133.06509	5.9
137.05988	1.4
139.07545	3.8
143.03419	1.7
149.04459	13.1
149.06027	2.2
151.07558	1.5
155.03395	2.7
161.04453	5.7
163.07576	2.0
169.01358	5.6
191.05556	17.1
203.05637	6.0
204.11475	1.5
205.12212	2.4
217.12233	3.0
231.75293	1.0
233.06555	1.4
235.13335	1.6
269.04404	1.2
289.07166	1.6
313.12848	3.6
318.04086	1.5
322.12158	1.3
331.14194	1.9
373.15024	3.5
397.18869	1.6
439.19830	2.9
463.18222	5.2
474.29916	1.2
504.18439	14.7
505.19131	15.8
506.19699	2.3
529.22949	3.3
571.23883	10.0
573.22546	1.7
615.22894	100.0
616.23328	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	658.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30901	0.5
58.77499	0.5
59.01251	100.0
60.01618	0.6
70.80200	1.7
78.95788	8.9
91.67914	0.5
93.37815	0.5
121.21667	0.6
137.32463	0.6
141.01598	70.1
142.01935	1.1
152.99498	5.1
185.11839	0.6
211.13379	1.0
227.12836	1.0
269.48749	0.7
277.21799	2.4
295.22876	1.2
312.53540	0.6
363.12317	0.9
445.20123	0.6
449.40924	0.7
502.29083	3.3
518.53546	0.7
658.34467	0.9
659.43140	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	659.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.7
57.03326	15.1
59.01251	10.5
63.02256	0.6
67.62675	0.5
71.01259	14.2
71.60021	1.0
72.99182	2.8
73.02809	1.0
75.00748	11.4
76.01091	0.5
78.95768	0.8
81.03346	3.0
83.01263	3.6
83.04873	0.5
85.02827	15.5
86.03162	0.7
87.00771	4.7
89.02332	2.7
93.03310	0.7
95.01259	2.1
96.95870	1.6
97.02825	1.0
97.37774	0.5
99.00760	3.6
99.28882	0.5
101.02322	2.3
101.05968	1.4
108.02068	0.6
109.02859	2.7
111.00748	0.8
113.02336	13.4
114.02694	0.6
115.82603	0.6
117.03317	0.8
119.91761	0.6
120.11211	0.5
121.02858	1.2
123.04421	1.4
123.08067	1.4
125.02341	100.0
125.05950	2.8
126.02708	2.7
131.03441	0.5
133.02849	2.3
134.53535	0.6
137.02330	3.2
139.03891	0.7
141.09102	0.7
141.13470	0.5
149.02377	1.7
149.04443	0.6
150.08017	0.5
151.00208	0.6
151.03922	1.4
152.01054	0.6
153.01784	0.7
159.04353	0.8
160.01549	0.8
161.02353	22.5
161.06046	0.6
162.03011	1.2
163.00357	0.6
163.03914	1.1
164.01091	1.8
165.01863	2.5
165.05501	1.0
165.09132	16.9
165.10466	1.1
166.09491	0.7
169.01404	0.7
173.06055	0.5
175.02417	1.6
175.03876	1.2
177.01854	1.1
179.03467	0.8
183.04437	0.6
187.04013	0.6
189.02014	0.6
191.07117	1.3
193.08691	1.0
199.03954	1.1
203.07018	1.0
205.08751	0.6
209.08145	47.3
209.11836	1.5
210.08464	3.3
211.13345	0.7
214.02763	1.1
215.07005	1.3
221.08139	1.0
223.09677	1.0
225.05667	0.6
233.08153	10.3
233.10295	0.7
234.08522	0.7
235.28575	0.5
242.02333	1.0
243.03177	1.6
243.06531	0.9
245.04523	0.8
251.09227	4.1
263.09348	1.4
265.08707	1.3
269.01028	3.0
269.04510	1.0
283.09943	1.3
287.05655	10.3
289.07236	3.5
290.07520	0.6
293.04697	0.8
301.07428	1.5
307.98001	0.6
309.07693	5.3
311.11255	0.6
315.08868	1.2
327.08755	45.6
328.08975	4.4
353.10583	2.1
356.09177	1.9
357.10040	1.7
371.13672	15.6
372.13824	1.9
479.13379	7.1
480.14359	0.8
497.07019	0.6
497.14496	0.8
533.16730	2.6
560.82629	0.6
615.26501	3.5
629.20337	1.2
658.29303	2.1
659.33398	29.1
660.33527	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	658.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01598	0.6
66.87171	0.6
71.57617	0.6
71.58047	0.7
78.95792	5.5
79.65454	0.6
120.14330	0.6
141.01599	75.2
142.01941	1.8
152.99493	3.6
171.00519	0.6
182.28241	0.6
277.21716	3.7
354.61078	0.7
363.11945	0.6
502.29327	1.9
572.03748	0.6
658.34308	1.0
659.35480	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32710	0.7
57.03310	1.1
59.01255	6.3
69.03318	0.8
71.01252	7.0
78.95782	1.2
81.03251	0.8
83.04915	0.8
85.02831	1.3
86.01411	0.6
87.00800	1.2
89.02333	4.6
97.02855	0.9
97.06484	0.8
98.19707	1.1
101.02325	5.0
111.08060	1.4
113.02343	2.4
119.03385	1.7
125.02281	1.7
128.21205	0.8
133.72693	0.8
137.02379	0.8
152.21066	0.7
161.04503	2.1
163.11177	0.9
165.12759	9.3
183.13838	100.0
184.14160	6.2
193.12292	2.2
209.11777	11.3
210.12065	1.5
211.13345	98.4
212.13672	6.0
227.12842	7.8
235.08247	3.9
253.09253	9.3
289.07239	0.8
301.03625	1.0
312.10547	0.7
354.95200	0.9
368.82291	0.8
388.80899	0.7
445.20773	2.3
447.22131	2.1
463.22000	6.1
510.26505	0.7
518.27386	0.8
657.34906	66.6
658.35254	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.4
57.03325	1.0
59.01254	8.4
59.60984	0.4
69.03342	0.5
70.17145	0.4
70.74390	0.5
71.00902	0.4
71.01260	6.1
71.59734	0.6
71.60141	0.7
72.99188	1.3
73.02824	1.3
74.00356	0.5
75.00746	2.2
78.95806	0.7
80.02530	0.6
81.03316	1.1
81.20547	0.4
83.01257	1.5
83.04911	3.3
84.02036	0.6
85.02821	4.7
87.00759	1.5
89.02312	2.5
93.03357	0.6
95.01250	1.3
95.04931	0.7
96.14100	0.5
96.95901	0.8
97.06445	0.6
97.37018	0.5
99.00765	1.3
101.02333	3.2
105.76347	0.4
107.01315	0.6
109.02852	1.1
113.02338	4.9
114.58568	0.5
119.04739	0.5
120.24649	0.4
121.02794	0.6
123.00742	0.7
125.02353	3.7
127.03777	0.7
129.01869	0.7
133.02776	0.5
137.02324	1.3
148.05161	0.7
161.02376	0.8
161.04507	1.3
163.03961	0.5
163.07582	0.8
163.11192	2.3
165.12755	1.5
167.03464	0.6
167.10550	0.5
169.01350	2.5
171.10164	2.7
179.05547	1.0
183.13857	6.1
185.11845	0.5
191.01814	0.7
191.10719	0.6
193.12306	1.7
194.25687	0.4
209.11781	71.0
210.12137	5.0
211.13348	100.0
212.13692	5.8
227.12846	9.7
228.13231	0.8
235.06151	0.6
235.08136	3.1
240.70667	0.5
243.03030	0.6
243.05373	1.1
249.06223	1.3
249.14943	2.5
253.09286	8.9
255.02853	0.6
267.07120	3.0
285.03784	0.9
289.07013	0.8
299.10284	1.9
303.02606	0.5
309.08267	2.0
314.07919	0.6
335.06192	2.1
337.31989	0.5
387.09445	0.5
403.24930	0.9
447.22339	3.3
448.22491	0.6
495.12967	2.2
560.13971	1.5
563.23352	1.2
621.33118	0.8
639.33087	1.1
657.18750	2.3
657.29858	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	657.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43358	0.3
51.76162	0.3
55.01751	0.5
59.01257	4.0
60.15822	0.3
67.35014	0.3
69.03337	0.8
70.71593	1.0
70.71947	0.4
71.01257	3.9
73.02808	0.9
80.02127	0.4
80.02543	0.8
81.03353	1.0
83.01256	1.0
83.04895	4.9
84.02055	0.7
85.02856	0.8
87.00733	0.8
89.02330	2.3
95.01270	0.4
95.04922	0.8
96.99184	0.4
99.05838	0.3
101.02329	3.2
109.06511	0.4
109.22997	0.3
111.10712	0.3
113.02335	1.8
119.03426	0.4
122.38326	0.3
125.02344	0.4
125.05961	0.7
133.04964	0.4
135.08029	0.6
137.09587	0.4
139.49986	0.3
143.03415	0.4
145.04935	0.6
161.04459	1.0
163.11203	3.8
165.12775	2.7
169.03499	0.4
171.10217	1.9
181.12338	0.4
183.13832	7.5
191.10696	0.8
193.12274	1.6
209.11777	97.4
209.97482	0.3
210.12117	7.0
211.13339	100.0
212.13680	6.0
227.12851	12.6
228.13156	0.9
235.08205	3.0
249.14859	1.6
253.09271	8.7
254.09726	0.6
316.09442	0.4
339.05536	0.3
383.04544	0.4
385.23615	0.4
392.46945	0.4
403.24847	1.1
421.25919	0.4
445.20834	0.7
447.22568	2.3
447.27921	0.4
621.32843	0.7
657.34119	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89771	0.3
57.03328	0.3
58.23342	0.3
59.01253	2.7
70.84381	0.3
70.89861	0.4
70.90194	0.6
71.01252	2.8
73.02811	0.7
80.02534	0.7
80.51125	0.3
81.03322	1.1
83.01272	0.5
83.04897	4.9
84.02041	0.8
84.89856	0.3
85.02840	0.7
87.00764	0.5
89.02299	2.3
95.04918	0.5
101.02329	3.3
109.06527	0.3
113.02341	1.3
119.03413	0.6
123.04430	0.3
123.61301	0.3
125.02412	0.4
125.05970	0.5
135.08081	0.5
145.04922	0.4
161.04459	1.3
163.11221	3.2
165.12791	2.7
167.10637	0.4
167.14264	0.4
171.10213	2.0
179.05576	0.4
181.12291	0.9
183.12355	0.5
183.13838	5.2
191.10693	1.2
193.12299	1.6
199.13303	0.5
209.11780	100.0
210.12129	6.4
211.13344	84.2
212.13722	4.5
227.12860	14.4
228.13161	0.5
235.08176	3.0
249.14893	1.4
253.09282	9.1
254.09549	0.3
340.06488	0.3
376.55569	0.4
403.24875	1.0
421.25809	0.3
445.20724	0.9
447.22235	1.9
463.21616	0.4
621.32556	0.7
639.34082	0.7
657.34900	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	1.1
71.01253	1.2
71.57378	0.7
71.57803	1.3
83.01268	0.7
85.02822	2.2
89.26984	0.7
95.01240	1.0
108.02051	42.9
109.02859	15.1
123.00707	0.9
151.03889	1.5
152.01064	36.2
153.01845	17.8
163.03912	0.8
165.01723	0.8
209.02940	0.8
309.81165	0.7
315.07211	100.0
316.07574	6.3
554.03931	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.5
56.58991	0.6
57.03318	6.0
58.00461	0.8
59.01252	21.7
60.49097	0.6
61.98709	0.9
62.21956	0.6
68.99673	1.0
69.03317	1.2
69.62059	1.7
69.62469	3.0
71.01256	27.3
72.99182	5.4
75.00749	28.9
78.95773	1.9
83.01239	3.0
83.04913	1.1
84.02036	0.6
85.02824	32.5
87.00751	10.2
89.02316	7.5
92.10522	0.6
95.01273	3.8
96.95901	0.7
97.02818	1.4
98.20388	1.5
99.00763	9.7
101.02326	7.7
103.00259	1.2
109.02880	0.8
111.00768	0.9
112.01515	0.6
113.02333	33.7
114.02617	0.7
115.00233	2.7
117.01830	2.1
119.03389	1.4
121.02868	0.8
125.02333	2.9
129.01816	1.3
131.03395	1.2
137.02309	1.4
152.99417	1.0
157.01270	0.9
165.09032	0.8
171.10194	0.8
173.04417	2.1
175.02417	2.7
183.13779	0.7
203.34714	0.6
209.11760	12.8
210.12180	4.3
211.13452	5.4
227.12787	1.0
249.06123	0.7
253.09195	0.9
255.02910	1.3
267.07300	3.4
283.02536	1.2
285.03745	1.1
309.08246	1.0
319.22797	0.9
328.57730	0.6
335.06339	1.0
401.85941	0.6
437.28903	0.8
456.12558	1.9
465.03506	0.7
613.25031	0.8
657.27588	100.0
658.27997	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	657.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31323	0.4
55.00353	0.4
57.03315	0.4
59.01249	1.8
61.76617	0.3
63.02252	0.8
65.00192	2.7
71.01260	2.9
71.46497	0.5
72.79456	0.5
72.99181	0.7
75.00748	2.4
83.01242	1.6
85.02829	1.8
87.00747	0.5
87.02534	0.4
89.03848	0.4
93.03344	1.3
99.00757	0.7
103.00243	0.6
107.01283	4.9
109.02836	5.4
110.03107	0.4
113.02332	1.9
117.01802	0.4
121.02858	6.0
125.02325	1.9
129.58719	0.4
133.02856	2.0
134.03656	0.4
135.00778	0.6
135.04428	11.2
137.02325	0.9
139.03891	1.3
145.02917	0.5
149.01273	0.5
149.02333	2.5
151.00276	20.1
151.03972	0.6
152.00644	0.5
159.04411	0.9
161.02344	1.2
163.00285	2.0
163.03938	0.7
165.01845	0.5
165.05513	0.9
169.01357	3.5
175.02393	1.3
175.03828	0.5
177.01857	8.1
178.02206	0.5
178.99785	11.7
179.03401	0.9
182.74211	0.5
185.06006	0.5
187.03908	0.9
189.01897	0.7
190.02666	0.6
190.99687	0.5
193.01334	1.1
201.05489	0.9
205.01466	1.9
211.04019	1.1
227.03471	1.0
229.05048	1.5
240.04262	0.5
242.02202	0.6
243.06779	0.4
245.04526	1.4
255.02985	3.3
256.03644	1.1
257.04584	0.6
270.01675	0.6
271.02667	0.9
271.06058	0.6
273.04007	1.8
283.02426	1.9
299.05710	0.7
301.03537	100.0
302.03900	7.3
311.02072	0.7
317.03159	0.5
327.05109	21.1
328.05286	2.0
343.12302	0.4
477.06763	39.6
478.07123	4.6
481.07761	1.8
503.08316	3.3
624.34003	0.4
657.10968	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.9
60.88212	0.7
63.02245	0.8
65.00208	2.2
67.01758	0.6
68.08578	0.5
71.01252	3.0
72.99182	1.0
75.00755	4.9
83.01265	1.6
85.02835	2.1
89.03843	0.9
93.03346	1.4
99.40170	0.6
107.01256	4.7
108.02074	1.5
109.02840	48.1
110.03179	1.1
113.02329	1.7
117.03367	0.7
120.95695	0.7
121.02840	6.0
125.02350	2.6
125.18656	0.5
133.02861	2.5
134.03612	1.6
135.04422	22.9
135.14888	0.6
137.02341	1.1
139.03893	1.3
145.02856	1.2
149.02359	4.0
151.00281	16.9
159.04398	1.0
161.02362	2.4
163.00298	1.8
163.03970	0.8
164.01114	0.9
169.01364	2.6
174.03133	0.7
175.00262	1.1
175.02437	1.0
175.03879	1.1
177.01875	12.3
178.02295	1.0
178.99792	9.1
179.03358	0.8
185.06126	0.7
187.03911	1.3
189.01863	6.3
193.01234	0.8
201.05486	0.7
205.01343	3.5
209.05940	1.1
211.03903	0.9
211.07614	0.8
212.04691	1.0
213.01704	0.7
213.05531	1.1
215.03378	0.9
217.01408	0.7
227.03435	1.2
227.07132	1.7
237.05473	1.9
239.03471	1.2
240.04231	1.5
242.02177	0.7
243.02873	0.7
243.06573	0.7
245.04610	1.2
253.05042	4.5
255.02939	2.6
255.06563	3.0
256.03748	1.4
265.05048	0.7
269.04355	0.7
270.01645	1.3
271.02798	1.4
271.06079	4.3
273.04129	1.1
281.04602	7.5
282.05246	1.2
283.02548	1.2
284.03323	0.7
285.04095	1.1
297.04056	0.9
299.05634	3.9
300.02832	1.1
301.03537	78.2
302.03940	5.8
309.04034	4.8
310.04590	0.9
327.05093	100.0
328.05521	9.1
341.03098	1.2
360.04852	0.8
437.08777	6.3
463.06689	1.4
477.06912	5.6
481.07767	73.4
482.08072	8.3
495.07681	0.8
503.08289	9.4
568.81104	0.7
657.10846	8.9
657.37146	2.1
658.11694	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22800	0.2
57.03345	0.2
59.01252	1.9
68.86175	0.2
71.01257	1.7
71.55275	0.3
73.02786	0.2
80.02544	0.4
81.03334	0.6
83.01280	0.2
83.04893	1.8
84.02059	0.4
85.02830	0.7
87.00743	0.6
89.02322	1.0
95.04903	0.4
97.02843	0.3
99.00788	0.2
101.02303	1.4
109.06483	0.4
113.02330	0.7
125.02328	0.4
135.08058	0.3
145.04958	0.3
161.04488	0.8
163.11217	1.7
165.12744	1.1
181.12238	0.5
191.10677	0.5
193.27969	0.2
207.10196	1.3
209.11772	100.0
210.12115	5.4
210.13585	0.1
211.13354	1.7
225.11339	0.8
227.12831	4.6
228.13124	0.2
235.08200	3.3
253.09259	4.6
254.09502	0.3
401.23245	0.5
445.20792	0.8
610.19934	0.2
637.32050	0.6
655.33789	0.6
678.07813	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.1
59.92793	0.2
70.69505	0.2
70.72453	0.5
70.72816	0.2
71.01253	1.5
73.02812	0.4
80.02547	0.6
81.03337	0.6
83.01276	0.3
83.04898	2.3
84.02078	0.4
85.02818	0.6
87.00775	0.2
89.02326	1.3
93.03333	0.2
95.01273	0.2
95.04904	0.5
97.02831	0.2
97.06459	0.2
101.02327	1.4
102.11249	0.2
106.13389	0.2
106.40926	0.2
109.06493	0.5
112.60442	0.2
113.02312	0.7
116.23819	0.2
119.03380	0.3
125.02364	0.3
125.05968	0.3
135.08040	0.6
143.03404	0.3
143.23952	0.2
147.11742	0.3
161.04488	0.5
163.11221	2.3
165.12758	1.2
181.12268	0.5
189.66396	0.2
191.10678	0.7
207.10207	0.9
209.11778	100.0
210.12119	4.9
211.13351	1.6
222.76025	0.2
223.13387	0.2
225.11238	0.9
227.12843	7.0
228.13310	0.4
235.08237	0.9
236.64392	0.2
253.09256	4.0
292.52478	0.2
327.15961	0.2
351.67001	0.2
355.23044	0.2
383.22623	0.2
391.24939	0.2
401.23318	0.6
445.20740	0.6
461.20483	0.3
637.31940	0.9
655.33215	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81426	0.1
53.52371	0.1
55.01755	0.2
57.03317	0.3
58.00475	0.2
59.01252	2.8
61.98676	0.2
69.03329	0.3
69.73937	0.9
71.00889	0.2
71.01255	2.5
72.99168	0.3
73.02808	0.5
75.00750	0.2
78.95777	0.2
80.02548	1.0
81.03342	1.0
83.01259	0.4
83.04902	5.0
84.02059	0.3
85.02815	0.9
87.00756	0.6
89.02325	1.6
93.03326	0.2
95.01257	0.3
95.04903	0.7
96.95904	1.3
97.02831	0.4
97.06507	0.3
99.00763	0.3
101.02333	1.8
106.04138	0.2
107.04948	0.2
109.02891	0.1
109.06484	1.0
110.70463	0.1
112.08228	0.1
113.02331	1.0
119.03414	0.3
121.02878	0.2
121.06513	0.1
123.04414	0.2
123.08059	0.3
125.02321	0.6
125.05955	0.4
125.09618	0.8
127.11079	0.1
131.03444	0.2
135.08093	0.8
137.02341	0.2
143.03391	0.2
145.04916	0.3
145.10081	0.2
147.11688	0.3
149.05954	0.2
149.09683	0.2
150.06816	0.7
155.50975	0.1
155.92262	0.1
161.04512	0.8
163.07578	0.3
163.11217	3.8
164.08221	0.1
165.01892	0.2
165.12778	2.2
166.13158	0.2
171.10207	2.2
179.05521	0.2
179.10667	0.5
181.12344	0.8
183.13893	0.2
185.11745	0.9
189.12868	0.1
191.10689	0.8
203.14464	0.3
207.10240	1.6
209.11784	100.0
210.12120	5.0
211.13342	2.6
213.28645	0.1
221.11885	0.2
221.15503	0.3
223.13332	0.2
225.11237	0.7
227.12856	5.3
227.15147	0.3
228.13188	0.3
231.13817	0.3
233.11748	0.3
235.08195	1.6
244.05193	0.1
247.13412	1.3
249.15013	0.8
251.12985	0.2
253.09280	4.1
254.09814	0.2
262.55862	0.2
265.14478	0.6
289.17834	0.1
305.31119	0.1
306.25275	0.1
309.84851	0.1
311.60910	0.1
339.23309	0.5
355.22913	0.2
357.24561	0.2
365.21481	0.1
373.23892	0.4
383.22369	1.3
391.25031	0.3
401.23288	2.6
402.23526	0.4
419.24304	1.7
420.24686	0.2
445.20764	0.8
446.21078	0.2
461.20026	0.2
463.14169	0.2
475.13962	0.3
477.21167	0.1
478.22485	0.1
492.34518	0.4
493.28754	0.2
493.35339	1.5
561.67188	0.1
615.35138	0.1
619.31238	0.4
630.82135	0.1
637.32312	5.6
638.32245	0.7
655.32977	1.5
655.41754	0.1
656.32776	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.0
55.95292	0.7
56.95690	0.6
57.03325	0.9
59.01254	12.5
61.98686	0.9
69.03331	1.4
71.01256	8.2
71.35075	1.3
72.99190	1.5
73.02827	2.3
78.95763	0.6
81.03325	1.5
83.01254	1.4
83.04908	2.5
83.67015	0.7
85.02812	3.5
87.00766	2.2
89.02320	4.5
95.04848	1.5
97.02828	5.6
97.06486	2.0
99.00765	1.8
101.02326	7.5
106.85882	0.7
107.04951	1.1
109.06475	14.0
109.29140	0.6
113.02325	3.3
119.03358	1.9
121.02863	0.8
121.06483	0.7
123.08072	0.8
125.02367	0.9
125.09615	1.8
135.08069	2.1
136.05200	1.7
142.02589	1.8
143.03380	0.9
145.04996	1.9
151.07558	1.0
161.04449	1.9
161.09570	1.6
163.11179	9.0
165.12769	2.7
171.10193	3.0
177.43645	0.7
179.05554	0.7
181.12285	2.6
183.13844	22.1
184.14084	0.6
185.11804	5.0
189.09145	1.1
191.10663	0.7
193.12321	1.6
199.13364	0.7
203.14275	1.2
205.12265	1.7
207.10216	50.3
208.10524	1.9
209.11780	33.5
210.12207	2.3
211.13350	100.0
212.13670	5.4
213.14842	0.9
221.15366	1.9
223.13322	1.6
225.11304	20.6
226.11600	1.1
227.12746	4.2
233.11864	1.2
235.08229	6.9
237.14751	0.8
247.13380	2.2
249.14948	1.9
251.12842	2.1
253.09270	9.7
265.14456	1.8
275.16464	0.9
281.13901	0.8
321.22134	1.3
321.54675	0.8
329.24777	1.7
339.23154	3.7
355.22922	1.3
357.24548	1.6
373.23700	4.5
375.25415	1.0
383.22305	7.1
384.22470	0.9
391.24887	4.5
401.23361	15.3
402.23636	1.7
419.24481	8.0
420.24600	1.0
440.72226	1.0
441.74475	0.7
443.19040	2.1
447.22372	2.6
461.20370	5.6
501.23706	0.7
609.32294	3.2
611.31525	0.8
619.31256	2.2
627.33954	1.0
637.32312	30.5
638.32916	4.4
655.33356	43.9
656.33594	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	655.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62753	2.2
53.13810	2.4
53.40295	2.2
58.30096	2.0
59.00945	4.8
59.01251	100.0
61.98705	4.2
68.00490	2.5
69.28256	26.6
71.01250	5.0
78.95776	3.3
92.07095	2.3
97.02845	2.8
98.19759	4.7
107.69342	2.9
109.06494	5.2
113.02428	2.6
141.01608	58.1
152.99455	4.1
159.26315	3.0
163.11264	3.1
175.28691	2.4
185.11806	2.4
188.53714	2.3
192.94336	2.3
199.63393	2.3
207.10222	10.3
209.11807	11.0
211.13370	20.2
225.11270	7.8
229.49844	2.4
275.06189	9.5
277.21710	4.3
391.19775	3.8
401.23264	3.6
535.27606	8.8
605.80890	2.7
637.32703	4.1
655.33179	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	655.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
61.73042	1.6
61.98706	4.3
71.01249	3.2
71.58051	3.9
78.95782	5.9
91.21400	2.0
97.02829	4.1
109.06446	4.7
141.01605	50.7
147.85364	2.1
152.99503	3.1
197.11775	2.3
207.10228	9.5
209.11874	9.7
211.13393	13.2
220.35216	2.0
225.11244	5.9
235.05338	1.8
275.06189	4.5
277.21774	6.0
383.22238	2.1
385.41376	2.0
535.27576	2.9
616.12982	2.5
637.32513	4.6
655.33185	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	655.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92753	0.6
57.03296	0.8
59.01246	6.6
60.41756	0.6
61.98694	1.0
62.69738	0.5
71.01244	3.4
72.99190	0.8
73.02824	0.9
74.42478	0.6
75.00757	0.7
78.95778	76.0
80.02554	1.4
80.75182	0.6
81.03362	1.5
83.01241	0.8
83.04901	5.9
84.02029	1.1
85.02826	3.5
87.00755	0.9
89.02306	1.7
92.27550	0.6
95.04903	1.0
96.95898	1.8
96.96839	6.3
97.02852	1.0
101.02342	1.4
109.06461	1.2
109.14835	0.7
113.02316	1.9
123.00774	0.9
123.04425	1.0
125.02348	3.0
125.05991	1.4
125.09609	1.1
134.98413	1.0
137.02367	1.4
145.52075	0.6
147.04390	0.8
149.04414	1.5
150.06837	0.9
150.97960	0.7
151.00282	0.8
152.99496	44.0
161.02403	0.6
161.04480	1.1
163.11191	5.9
165.12767	3.1
167.03354	0.6
169.01323	1.8
171.10202	1.5
181.12286	1.7
191.10690	1.5
203.06776	0.6
207.10182	1.4
209.11774	100.0
210.12099	4.6
211.13361	2.1
221.81927	0.6
225.11249	1.1
227.12837	10.3
229.40627	0.7
247.13408	1.3
253.09273	1.5
363.12167	15.1
364.12506	1.3
369.13626	0.8
381.13245	5.6
383.22220	1.1
395.14771	13.1
396.15060	0.8
401.23383	2.9
413.15894	2.4
419.24420	1.2
591.25745	23.0
591.34863	1.2
592.25897	3.4
623.28357	23.6
624.28857	4.0
637.32092	3.8
655.31128	13.7
656.31793	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	655.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	2.5
59.01251	51.5
66.66915	1.7
69.53236	9.7
69.53642	4.4
71.01275	3.0
72.99178	2.9
93.02760	3.5
93.03339	64.3
96.95880	6.2
98.19823	3.5
99.00758	2.4
101.02332	2.2
113.02324	2.9
119.08515	2.4
125.02315	7.4
131.33493	1.7
137.02342	100.0
137.09618	6.3
149.96629	1.9
161.09695	2.1
163.07581	1.9
179.10660	4.2
181.08630	8.7
184.81525	1.9
197.04384	3.1
197.11742	21.0
221.52353	2.1
223.09714	5.1
241.10820	17.2
242.11212	2.6
255.03273	2.0
275.70657	2.1
285.04160	3.7
413.10919	16.9
431.11884	21.0
593.15302	4.0
637.20996	3.0
655.22418	77.7
656.23016	12.1
659.91522	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	655.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	2.5
59.01251	51.5
66.66915	1.7
69.53236	9.7
69.53642	4.4
71.01275	3.0
72.99178	2.9
93.02760	3.5
93.03339	64.3
96.95880	6.2
98.19823	3.5
99.00758	2.4
101.02332	2.2
113.02324	2.9
119.08515	2.4
125.02315	7.4
131.33493	1.7
137.02342	100.0
137.09618	6.3
149.96629	1.9
161.09695	2.1
163.07581	1.9
179.10660	4.2
181.08630	8.7
184.81525	1.9
197.04384	3.1
197.11742	21.0
221.52353	2.1
223.09714	5.1
241.10820	17.2
242.11212	2.6
255.03273	2.0
275.70657	2.1
285.04160	3.7
413.10919	16.9
431.11884	21.0
593.15302	4.0
637.20996	3.0
655.22418	77.7
656.23016	12.1
659.91522	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	655.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	43.8
60.30788	3.0
63.50344	3.1
64.60246	2.9
68.21436	2.8
70.89352	5.0
70.89699	6.3
72.99187	5.6
93.03349	5.6
96.95881	5.7
119.04932	5.6
137.02368	4.7
147.04422	100.0
148.04790	5.6
161.52620	3.8
165.05493	80.0
166.05821	3.2
193.94087	3.0
207.06567	39.3
395.85504	2.7
431.11401	3.7
466.93961	3.6
655.22577	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	655.1152
Annotation	Gossypetin 3-glucuronide-8-glucoside
Peak:m/z	Relative Intensity
52.77998	0.3
57.03301	0.4
59.01256	2.3
63.02274	1.9
63.02530	0.3
64.89800	0.3
65.00195	3.5
71.01254	3.9
71.57631	0.5
74.83807	0.3
75.00739	0.6
83.01255	2.9
84.43246	0.3
85.02844	1.5
87.00753	0.3
89.02288	0.4
89.71104	0.3
95.01250	0.6
99.00755	0.9
103.00229	0.5
107.01269	7.8
109.02837	5.3
113.02368	1.8
119.04913	0.3
124.01438	0.3
125.02340	2.2
135.19041	0.3
137.02341	17.2
138.02715	0.6
147.04390	0.3
151.00275	34.1
152.00652	1.4
155.03464	0.7
161.02344	0.4
163.00262	1.2
163.58238	0.3
164.01067	1.3
165.01830	1.3
167.03421	0.5
169.01346	4.5
170.01439	0.4
175.02419	0.7
178.99783	27.3
180.00099	1.1
190.99788	0.7
191.03467	0.7
192.00601	2.1
193.01295	1.4
202.14526	0.4
203.03537	0.4
227.03380	1.0
243.02960	0.9
245.04518	0.4
261.04059	0.4
271.02524	3.0
275.94943	0.4
287.01926	0.9
289.03537	0.9
299.01959	1.1
308.73401	0.4
316.02222	5.6
317.02997	100.0
318.03320	6.8
475.05280	0.7
479.08295	18.0
480.08414	2.5
493.06253	22.8
494.06464	2.5
535.07129	0.5
655.11615	10.3
655.23682	0.9
656.11737	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1154
Annotation	Gossypetin 3-glucuronide-8-glucoside
Peak:m/z	Relative Intensity
59.01237	1.8
65.00205	2.6
69.80350	5.6
69.99946	0.9
71.01254	2.5
72.99188	1.6
75.09029	0.9
85.02859	2.2
87.00745	1.1
89.02296	0.9
95.01274	1.6
98.20515	2.0
101.02327	1.3
107.01278	2.3
109.02849	3.0
111.00788	2.9
113.02340	2.1
121.02861	2.1
123.00756	2.1
125.02316	3.3
131.03435	1.1
135.04480	1.4
137.02361	5.9
139.00249	7.0
149.02364	1.4
151.00285	12.3
161.02299	1.1
163.00296	2.3
164.01076	2.6
165.01868	1.7
165.99005	3.8
166.99739	6.6
175.00320	3.5
175.02432	1.5
175.03918	1.6
178.99802	4.4
180.00572	1.1
192.00542	1.4
193.01585	1.8
193.03467	6.0
194.99304	2.3
199.03926	1.9
203.03355	1.3
227.03427	2.3
231.03160	1.1
242.02116	1.3
243.02963	2.8
245.04491	1.6
255.02881	2.3
270.01630	1.6
271.02444	6.7
272.02914	1.5
273.04117	2.2
287.01901	2.9
299.01987	7.0
301.03690	1.2
304.30054	1.1
313.05972	1.0
315.01392	1.5
316.02219	9.5
317.03003	100.0
318.03375	6.5
341.05167	2.1
359.03693	1.4
376.97241	1.1
435.09497	2.1
461.07278	12.0
478.07169	1.2
479.08286	70.2
480.08685	6.6
655.11438	8.4
656.11774	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.0
69.58971	6.0
71.01245	2.8
71.77372	0.7
72.99200	1.1
75.00743	1.8
85.02814	2.8
87.00732	0.7
89.02296	0.8
93.03316	2.2
95.01212	1.0
101.02396	0.9
103.00189	1.0
111.00674	1.0
113.02341	2.1
115.00230	0.9
116.92725	2.3
119.04898	2.0
121.02856	6.4
125.02335	2.2
139.03899	1.0
149.02348	0.8
151.00305	2.3
163.03888	1.9
169.01404	1.4
174.03212	0.9
175.00342	0.8
175.04051	1.0
177.01845	2.8
185.02299	1.8
197.02403	0.9
202.99727	3.6
213.01872	1.3
214.02632	3.3
225.01891	6.0
226.89209	0.8
229.01500	0.8
240.03955	0.8
241.05008	2.9
242.02182	3.0
243.02983	10.4
245.17368	0.8
257.04391	0.9
267.72284	0.8
269.00906	100.0
270.01352	8.9
282.01718	3.8
285.04025	5.6
297.00525	1.2
298.01218	0.8
301.03668	1.1
309.04221	1.1
317.04279	0.8
319.05829	0.9
329.02963	12.2
345.04086	2.3
347.05563	1.7
353.02997	2.3
357.02505	19.3
358.03049	1.0
363.05066	3.3
373.03406	5.6
374.04300	1.7
375.04984	5.4
391.04672	7.0
401.03378	1.0
419.04068	84.4
420.04428	10.6
427.06387	0.8
435.07349	2.1
479.06137	50.8
480.06375	6.9
493.11557	0.8
551.31500	0.8
655.09406	5.1
655.20648	1.6
656.09052	0.9
684.71100	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.3
58.00446	2.3
59.01249	39.4
61.47956	2.0
67.90707	2.4
71.01254	24.3
72.99183	32.5
73.02821	9.1
73.12191	2.5
75.00751	4.9
83.22986	2.3
85.02834	27.6
86.29084	2.4
87.00725	2.7
89.02312	7.4
90.35763	2.2
93.03338	5.4
95.01258	4.4
96.28074	2.1
99.00803	3.5
101.02324	9.9
103.00259	11.6
113.02332	40.5
129.01833	6.3
131.03398	9.6
133.01329	3.1
137.02354	6.7
163.02400	2.9
175.02414	7.1
182.59050	2.5
187.03886	3.0
193.03477	100.0
194.03894	3.7
260.33011	2.5
285.04065	39.6
301.03384	4.5
419.04263	5.2
461.07263	9.4
655.22205	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	655.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51360	0.4
57.03315	1.1
59.01266	2.9
65.00186	0.5
69.41814	3.4
69.42225	0.9
71.01260	3.2
75.00753	1.3
85.02831	1.8
89.02325	0.6
93.03329	1.4
95.01248	0.5
99.00765	0.7
101.02347	0.5
107.01242	1.2
109.02875	1.0
113.02315	1.6
114.02773	0.6
115.03898	0.5
116.92735	0.7
117.78283	0.5
119.04921	1.2
121.02855	5.7
122.51771	0.5
125.02323	1.8
129.01791	0.6
132.11897	0.5
137.02386	0.7
137.27196	0.5
149.02277	0.5
151.00267	2.3
151.03909	0.6
159.00816	0.5
161.02507	0.6
163.03909	0.8
169.01305	1.0
174.03139	0.8
175.02356	0.6
175.03885	0.9
177.01855	2.5
185.02432	2.3
188.57622	0.5
197.02379	0.7
199.03970	1.0
202.99843	3.2
213.01907	1.0
214.02652	2.2
219.03050	0.5
225.01872	4.9
227.03595	0.8
241.01447	0.8
241.05026	3.3
242.02135	2.1
243.02991	11.1
267.03049	0.7
269.00922	100.0
270.01318	6.9
271.02579	0.6
282.01712	1.5
283.02499	1.5
285.04041	5.3
286.04205	0.6
297.00494	2.2
313.03690	0.6
319.06174	1.3
329.03030	13.9
330.03412	0.9
345.03912	0.9
347.05533	2.1
353.02924	0.7
357.02515	20.8
358.02921	1.4
363.05057	1.7
373.03503	1.9
374.04095	0.6
375.05023	4.3
391.04532	4.5
393.63080	0.5
401.02975	0.7
419.04108	69.5
420.04449	7.7
435.07187	1.9
457.13861	0.5
479.06189	20.7
480.06448	3.6
553.30731	0.5
595.07581	1.2
620.34393	0.5
655.09442	5.7
655.20502	0.8
655.34302	0.6
656.09784	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09933	3.0
57.03339	4.1
65.00197	3.7
69.23911	39.0
69.24261	5.4
71.45902	3.3
81.70179	2.8
83.01266	7.5
96.41000	2.9
99.00746	17.2
109.02847	12.4
111.00759	8.8
120.95801	3.6
123.00787	8.2
125.02341	38.4
137.02367	8.6
139.00290	33.1
139.03873	3.8
139.47395	3.1
141.01840	24.8
151.00272	13.4
152.01064	3.6
153.01833	27.8
161.02252	3.3
163.03911	6.1
165.01826	14.4
166.99760	17.7
167.03439	11.6
169.01321	4.7
175.00308	6.1
175.03833	4.3
177.01834	14.4
178.99777	11.5
181.01331	10.2
189.01862	8.8
190.99812	8.8
191.03412	9.8
192.82130	3.3
193.01364	100.0
194.99245	21.8
203.03423	4.1
209.00870	12.4
215.03430	3.3
217.01315	10.4
231.02962	4.2
245.04417	4.1
273.04056	7.9
299.01889	4.2
301.03540	4.5
317.02997	38.0
335.04071	64.9
336.04318	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.4
57.03319	1.5
58.00467	1.9
59.01254	39.1
69.03323	1.9
71.01257	35.4
72.01603	0.8
72.99174	3.4
73.02812	6.5
75.00751	1.2
78.95782	3.0
80.52821	0.6
81.03319	2.3
83.01249	6.0
85.02819	8.6
87.00752	9.3
89.02316	34.5
95.01240	1.4
97.02827	6.5
98.19815	1.7
99.00760	2.3
101.02323	32.1
109.02831	0.9
111.04400	1.1
113.02328	16.5
114.62465	0.8
116.75562	0.7
119.03376	10.1
125.02338	13.9
131.03404	1.6
133.04951	1.1
139.03969	0.9
143.03397	7.5
149.04456	1.2
152.99471	1.8
161.04477	8.9
167.03477	0.9
169.05008	0.9
179.05524	6.1
212.81207	0.7
217.07321	1.2
221.06625	2.5
235.08191	14.8
241.01088	0.9
245.06578	1.1
253.09351	3.5
255.23273	100.0
256.23575	8.3
263.07791	2.2
277.09314	1.2
279.23267	1.3
287.07703	4.4
305.08652	3.9
323.09619	2.2
354.54068	0.7
361.11423	0.8
397.13507	82.3
398.13818	5.9
415.09045	1.7
415.14566	30.4
416.14786	2.4
595.29022	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	653.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61511	0.4
55.01750	0.8
57.03304	1.0
58.00474	2.0
59.01252	37.0
68.99665	0.7
69.03342	2.4
71.01255	35.8
72.01566	0.6
72.99183	3.1
73.02816	5.7
75.00724	0.6
78.95778	6.8
81.03329	1.5
83.01266	3.9
85.02829	7.4
87.00751	8.1
89.02319	31.5
90.02667	0.5
91.03870	1.0
95.01256	2.8
96.96831	0.7
97.02832	6.3
99.00748	2.3
101.02325	30.4
102.02662	1.0
103.03891	0.4
106.01981	0.4
109.02808	0.7
111.04404	1.1
112.81899	0.4
113.02329	14.4
113.70602	0.4
115.03898	0.8
119.02565	0.8
119.03387	11.7
121.02807	1.0
123.04382	0.7
125.02336	12.6
127.03900	0.5
131.03424	1.8
133.04967	1.1
134.99388	0.4
135.83498	0.3
139.03906	1.4
141.01849	0.7
143.03409	7.1
149.04443	1.1
152.99516	5.1
157.05049	0.5
161.04475	7.9
163.20854	0.4
167.03416	0.8
169.04926	0.4
173.64288	0.4
179.05533	5.7
185.04449	0.7
199.06078	0.7
203.05534	0.5
217.07104	1.2
219.05026	0.4
221.06557	2.6
223.13379	2.2
229.82494	0.5
234.81778	0.4
235.08197	14.0
241.01073	0.8
245.06622	0.8
247.08582	0.4
253.09264	2.7
255.23270	100.0
256.23611	7.9
263.07730	1.0
269.24802	1.1
277.09161	1.0
287.07648	3.9
293.21149	2.0
305.08771	3.5
311.16745	0.9
323.09750	1.2
359.12640	1.3
363.63074	0.5
379.12341	0.9
397.13501	72.8
397.61710	0.5
398.13840	5.7
412.31750	0.4
415.14563	31.5
416.14951	1.9
429.20441	1.3
447.21219	0.6
571.28772	3.1
572.29700	0.6
598.12042	0.4
653.34808	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	1.9
60.63486	1.2
61.61141	1.4
71.93129	1.1
78.95786	35.8
80.47926	1.3
81.03336	3.1
96.96857	4.4
101.10834	1.3
109.06485	3.5
111.04441	2.0
119.83996	1.3
125.02364	4.6
151.07562	35.1
152.99493	19.4
171.10167	5.2
181.12419	1.4
195.06567	100.0
196.06885	6.2
219.06580	23.7
225.11319	2.9
237.07668	7.9
249.07707	2.4
255.23274	26.3
256.23566	2.8
391.22607	6.8
409.23630	3.7
563.33582	3.8
591.33374	1.6
617.33319	27.0
618.33710	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	653.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93627	0.8
57.03312	4.4
59.01250	15.7
61.98678	1.7
71.01255	17.5
71.27023	2.5
72.99199	4.9
73.02826	1.7
75.00742	18.1
81.03336	1.9
83.01264	2.0
83.04884	1.3
85.02825	22.5
87.00764	6.3
89.02313	3.6
95.01286	5.4
95.04928	1.0
95.58144	1.0
97.06482	1.3
99.00751	8.8
101.02312	3.1
103.00268	1.9
104.70102	0.9
109.06471	1.8
111.08054	1.7
113.02330	22.9
115.00288	1.9
117.01836	2.4
117.81310	1.0
121.06551	1.0
123.00702	1.1
124.02226	1.0
125.02331	3.3
125.09610	2.9
127.03902	1.2
129.01837	1.3
129.27559	1.0
163.07550	2.1
163.11176	1.2
171.10181	17.3
175.02388	3.2
177.52600	1.1
193.03349	1.2
207.10170	2.0
209.11781	5.6
210.11917	1.1
211.13379	4.1
215.14296	1.8
221.15421	1.2
225.11125	1.3
233.15540	5.6
235.13388	1.4
247.13455	1.2
249.06090	2.5
249.14929	5.8
279.87274	1.1
341.25061	1.3
375.25302	1.2
385.23831	2.9
403.24841	4.6
417.22754	2.3
421.25897	2.8
491.33746	3.9
564.12933	1.2
609.32501	2.6
635.30292	7.5
653.31720	100.0
654.32074	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	653.301
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98276	0.3
60.45594	0.3
62.53004	0.3
62.96284	0.5
69.93852	0.8
69.94270	0.8
78.95776	100.0
88.11459	0.3
96.96841	1.9
97.74253	0.3
106.00336	0.3
128.93362	0.3
149.00003	4.4
152.99489	3.8
171.10193	1.2
179.01093	0.5
184.76590	0.3
205.15958	1.7
255.23280	5.9
256.23639	0.5
273.33911	0.3
285.12613	3.9
307.09152	0.4
355.16797	2.3
385.17871	1.4
391.22568	0.9
409.23776	0.7
417.12546	0.5
447.13354	5.5
563.33630	0.4
653.30072	40.1
654.30414	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76834	1.6
57.03312	4.4
58.00453	1.8
59.01253	42.2
67.01750	1.5
69.03327	2.8
70.75540	1.6
70.75903	4.0
71.01254	31.9
72.99192	9.4
73.02803	3.1
75.00757	18.6
83.01266	3.5
85.02829	25.1
87.00747	7.5
88.93538	1.3
89.02319	12.4
95.01243	4.4
95.51237	1.5
96.95924	2.9
97.02848	1.7
98.19940	1.5
99.00779	9.7
99.04358	1.3
101.02333	9.7
103.00266	3.4
109.02847	2.1
113.02332	27.0
115.00199	2.3
117.01840	2.6
119.03407	2.0
119.04852	2.0
120.08084	2.2
120.96892	1.4
121.02836	2.2
125.02312	8.4
129.01837	2.3
133.10030	1.5
134.03641	2.1
134.99068	1.5
135.04390	3.1
135.11694	7.9
149.02383	2.0
149.06039	1.4
150.03117	2.6
151.00273	1.8
153.01837	1.7
157.01299	1.9
161.09641	2.1
164.98157	1.7
165.05446	2.8
169.01318	4.1
175.02370	3.4
177.01826	2.1
179.03433	1.8
179.10693	24.9
193.05147	2.0
209.11584	2.2
223.09691	6.6
231.04990	3.3
245.09399	1.4
249.06114	23.4
267.07227	10.3
297.13458	2.7
429.17780	16.3
455.15457	2.4
473.16638	67.3
474.16760	7.3
653.22986	100.0
654.23175	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	653.23
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.4
57.03326	2.8
58.00461	1.9
59.01254	31.1
60.01590	0.6
61.98709	0.9
67.01770	1.2
68.99696	0.8
69.03319	1.0
69.44420	4.2
71.01256	27.6
72.99179	6.4
73.02819	2.0
75.00748	15.7
81.03315	0.6
83.01249	2.0
83.01727	0.4
85.02827	18.9
87.00749	5.6
89.02321	10.6
91.03874	0.7
93.03334	1.1
95.01269	5.1
97.02824	0.8
98.19775	1.1
99.00769	8.9
99.04400	0.7
101.02321	6.0
103.00267	1.6
107.73606	0.5
109.02824	0.8
111.00795	0.7
111.04447	0.7
113.02336	22.5
114.02665	0.8
115.00255	2.6
117.01838	2.1
119.03381	2.0
124.05244	0.8
125.02349	1.6
125.63534	0.5
129.01825	2.2
133.10080	0.7
135.11707	5.9
141.89272	0.5
144.66109	0.5
157.01346	0.9
161.09610	1.7
169.01294	0.7
175.02420	2.1
179.10704	23.2
180.11058	1.0
189.04001	0.6
197.85968	0.5
205.07159	0.5
207.05118	0.6
223.09689	3.9
231.05023	2.3
249.06149	19.5
250.06691	0.8
267.07233	9.7
268.07553	1.0
276.18991	0.5
297.13464	1.4
411.16446	1.7
429.17599	14.5
430.17853	1.8
455.15466	1.8
473.16623	41.6
474.17029	4.5
491.17422	1.1
653.22968	100.0
654.23352	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	653.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.7
57.03314	4.4
59.01255	10.0
63.33054	1.1
68.99668	1.1
69.03300	1.4
71.00904	1.9
71.01262	26.6
71.47562	2.1
72.99191	10.0
73.02808	3.0
75.00754	38.0
81.38132	1.1
83.01260	3.0
85.02834	29.3
87.00743	10.5
88.98663	3.0
89.02295	4.1
89.02811	1.3
95.01250	4.5
97.02808	2.1
99.00765	21.8
101.02296	2.9
111.00768	3.2
113.02338	34.7
115.00239	4.1
117.01808	2.4
121.02854	2.1
124.01552	2.8
125.02345	8.7
129.01791	2.0
131.03433	1.1
135.04465	5.3
137.02315	1.6
139.00235	2.1
143.03397	3.9
149.02371	8.8
150.03098	4.1
157.01404	5.4
161.04469	1.3
163.03882	6.7
164.04706	5.8
171.02896	4.5
175.02443	6.6
203.05609	1.1
211.05898	1.2
217.03394	2.3
225.05510	1.3
241.98973	1.2
253.05075	2.6
254.05708	1.8
267.06799	1.4
269.08221	40.0
270.05301	13.2
270.08389	3.0
271.05984	1.2
277.05603	4.0
285.07690	37.9
286.08282	7.7
300.10089	28.7
301.10770	27.2
315.12408	75.0
316.12747	4.8
337.07675	4.1
463.16171	6.6
477.17389	1.2
635.19855	3.2
653.20837	100.0
654.21234	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	653.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.8
59.01251	11.3
64.84830	1.3
69.30714	10.2
69.31133	3.6
70.84695	1.5
71.01247	4.0
74.10482	1.3
75.00735	3.1
83.01218	1.9
85.02811	3.0
87.00694	1.4
93.03323	1.3
98.19756	2.3
107.01286	1.8
109.02844	1.3
113.02299	3.3
114.91014	1.7
123.70272	1.3
125.02343	11.1
137.02328	1.7
151.00221	5.1
151.03827	1.6
163.00198	1.7
163.03897	1.5
168.99950	1.1
169.01331	4.9
178.99716	4.4
195.98706	1.5
199.03915	2.0
203.03320	2.3
212.80942	1.4
214.02670	1.3
215.03423	2.4
227.03264	1.2
230.02216	6.0
231.02863	1.9
241.01385	3.4
242.02116	9.2
243.02939	7.6
244.36557	1.5
257.00870	1.6
258.01730	10.1
259.02423	8.1
270.01642	9.6
271.02368	5.6
273.03998	8.7
274.01328	1.7
275.00137	1.4
285.03958	2.8
286.01172	9.1
287.01974	9.9
287.05139	2.1
289.07141	1.3
298.00906	2.4
299.01828	4.0
301.03564	12.1
302.04291	1.4
314.00787	2.3
315.01416	25.7
317.02969	4.4
317.06482	1.8
329.02985	47.3
330.03769	33.6
331.04129	3.1
343.04398	1.6
344.05313	28.2
345.06116	100.0
346.06314	9.0
410.80023	1.3
501.19275	1.9
653.17108	72.5
653.26563	9.5
654.17462	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	653.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
62.93848	9.3
63.13083	9.0
64.48174	10.1
71.01263	15.8
71.57671	15.3
71.58051	13.9
87.00752	13.5
89.02345	16.1
135.04419	67.9
148.46658	11.1
149.00819	95.1
149.04451	26.0
179.03485	100.0
223.09709	11.4
248.43474	10.6
251.42053	11.7
252.97156	11.3
311.04056	13.0
311.09872	50.1
375.63062	12.0
480.98419	13.0
679.54272	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	651.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52934	3.6
62.42146	3.2
67.48238	3.3
78.95783	100.0
96.96866	7.4
98.20578	7.0
100.05685	3.5
150.57692	3.4
152.99487	55.3
163.11177	3.3
209.11772	31.0
217.07245	3.6
236.06128	3.3
255.23270	85.3
324.90735	4.2
363.12085	4.9
365.89069	3.5
391.22604	12.2
409.23660	8.7
583.56335	4.0
619.36353	23.2
620.36383	4.1
640.96625	4.2
651.38556	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	653.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	8.1
59.01249	4.1
63.02258	11.0
65.00195	13.5
70.73196	8.1
81.03332	2.4
82.95844	1.9
83.01262	9.5
93.03342	2.0
94.54345	2.1
105.12531	2.1
105.25395	2.0
107.01272	22.9
109.02839	8.4
109.03524	1.8
111.00781	2.9
123.00801	2.7
123.04399	4.7
125.02333	46.5
133.02943	2.7
136.55376	1.9
137.02332	8.9
139.00285	3.4
149.02251	2.2
151.00264	61.0
151.03894	4.4
152.00854	3.3
153.01839	8.1
159.04404	4.7
161.02339	2.5
163.00264	4.0
165.01790	12.8
167.03384	11.1
167.12471	2.0
169.01335	29.1
175.00212	2.4
175.03899	4.8
177.01848	16.6
178.99774	100.0
180.00101	3.7
181.01309	5.7
183.02907	2.8
187.03984	3.4
193.01361	11.9
199.03928	6.0
201.05412	3.3
203.03348	5.8
211.04053	2.5
213.01738	2.1
215.03452	7.4
217.04892	4.0
219.04465	2.5
227.03450	7.8
229.05074	4.3
231.02950	4.4
233.04404	4.8
241.05057	2.8
243.02933	21.0
244.03384	3.1
245.04524	3.4
246.75847	2.2
255.02905	4.2
257.04593	5.6
259.02512	8.9
260.03223	5.7
261.04022	8.5
267.02975	3.2
269.04630	2.9
271.02380	5.8
273.04105	5.8
283.02408	5.4
285.04169	4.2
287.01935	4.2
295.02579	3.7
299.01987	5.9
299.05420	2.9
301.03381	5.5
303.05090	3.1
309.04062	2.8
311.01953	3.8
313.03531	3.1
315.01419	5.6
317.03036	24.6
327.04956	3.6
329.02930	5.5
351.05240	2.4
393.06012	3.6
395.04028	3.5
409.05688	3.8
411.07059	3.2
419.04031	4.8
421.05707	2.6
437.04773	3.3
447.03412	7.7
465.04703	22.0
487.06839	2.8
509.03647	10.4
529.07721	5.6
555.05597	4.2
573.06476	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	651.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35918	1.8
59.01244	2.3
68.85951	2.1
71.01253	2.4
71.56615	2.3
71.57047	2.4
71.63500	2.5
77.67538	2.0
83.42197	2.4
95.01270	6.9
107.01337	5.1
111.00768	10.9
123.00764	24.0
124.01553	1.9
125.02333	100.0
126.02673	5.0
126.43660	2.0
139.00281	16.7
140.01047	7.3
141.01842	33.9
149.20380	2.0
151.00262	3.5
152.78011	2.0
165.99034	3.4
166.99779	36.0
168.00539	10.0
169.01331	94.6
170.01593	3.5
177.01836	2.4
184.00037	7.2
185.00809	7.8
194.99281	5.9
211.02409	11.7
271.04581	15.6
271.19571	2.3
285.86658	2.4
287.07663	3.4
303.07135	9.5
313.05594	9.1
329.05249	13.2
331.06668	53.0
332.06967	4.2
347.06229	5.6
437.07120	7.5
439.08798	27.6
440.09039	4.7
455.08237	36.3
456.08386	3.2
465.06744	17.2
481.06070	10.5
483.07706	25.7
484.07846	3.3
499.07248	50.8
500.07593	7.1
500.80295	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	649.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.5
59.01257	0.5
62.56939	0.2
65.00206	0.8
66.73690	0.2
67.88813	0.2
70.71241	0.6
78.92758	0.2
81.03333	5.3
82.42155	0.3
83.01270	0.8
85.06465	1.7
87.04390	0.9
95.04902	0.2
97.02837	0.4
98.91625	0.2
107.01289	0.5
109.06476	3.0
111.04404	4.1
113.05986	0.3
121.02889	0.4
124.01574	0.4
124.35108	0.2
125.02341	4.9
127.07524	1.0
133.06490	0.7
136.05164	1.2
137.02354	0.3
139.03862	0.3
146.41707	0.2
149.02359	0.9
151.00296	0.6
151.07558	34.1
152.01030	0.5
152.07858	1.6
153.05411	0.4
161.06012	0.3
165.05540	0.5
177.05490	1.1
179.03549	0.2
179.07045	0.7
179.55022	0.2
191.07053	0.8
194.05783	0.4
195.06564	100.0
196.06923	4.4
201.05476	0.9
207.06581	0.6
209.08145	1.5
219.06575	21.1
220.06938	1.3
221.08119	0.3
231.06560	0.2
237.05252	0.4
237.07640	6.5
238.08153	0.3
249.07567	0.9
260.87314	0.3
261.07779	0.3
293.48914	0.2
298.31955	0.2
312.08856	0.2
339.10815	0.2
355.46655	0.2
373.64789	0.3
458.02838	0.2
649.32312	4.8
650.32385	0.8
675.69275	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43685	0.2
57.03328	0.6
59.01262	0.8
60.04071	0.2
60.04370	0.2
60.09447	0.2
64.06474	0.2
65.00187	1.1
71.01287	0.2
81.03329	4.8
83.01254	1.1
85.06461	1.4
87.04402	0.8
92.48442	0.2
93.03349	0.3
95.04919	0.4
97.02834	0.4
107.01271	0.4
107.04941	0.2
109.02831	0.4
109.06476	3.0
111.04400	4.6
121.02913	0.4
123.04423	0.4
125.02327	6.1
127.07558	0.8
133.06497	0.8
136.05220	1.1
137.02357	0.3
139.03905	0.3
149.02408	1.1
151.00302	1.0
151.07555	31.5
151.89240	0.3
152.01059	0.5
152.07883	1.6
153.05463	0.3
161.02310	0.3
163.07539	0.3
165.01709	0.3
165.05458	0.3
165.09070	0.3
175.00298	0.4
177.05495	0.9
179.07080	0.6
191.07146	0.7
194.05705	0.4
195.06557	100.0
196.06886	5.0
201.05482	0.9
203.07004	0.2
207.06635	0.6
208.07152	0.3
209.08115	1.5
219.06573	21.0
220.06918	0.9
221.24840	0.2
237.07640	5.5
237.09967	0.5
238.07932	0.4
249.07538	1.1
261.07489	0.3
277.21634	0.3
289.07187	0.5
395.07077	0.3
605.66254	0.3
625.44763	0.2
649.32343	3.6
650.32550	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46161	0.4
57.03327	0.6
57.61053	0.4
59.01250	0.7
61.11507	0.4
65.00195	0.9
70.33727	1.6
71.42252	0.4
78.95780	0.9
81.03329	5.9
83.01256	0.7
85.06470	1.9
87.04387	0.6
96.38917	0.4
107.01246	0.5
109.06480	2.6
111.04407	5.3
121.02924	0.4
125.02351	4.8
127.07549	1.2
133.06502	1.3
136.05205	1.1
137.02332	0.5
149.02359	0.9
151.07558	34.3
152.01045	1.0
152.07919	1.2
152.99492	0.6
153.05467	0.4
177.05524	0.8
179.06963	0.5
183.92746	0.4
191.07036	0.8
195.06564	100.0
196.06889	5.2
201.05516	0.9
207.06540	0.6
209.08176	1.4
219.06587	17.6
220.06856	1.1
237.07628	6.3
249.07713	1.2
270.34158	0.4
314.02298	0.4
582.65564	0.5
649.32037	3.7
650.32574	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27943	0.8
51.35262	0.8
52.47649	0.9
57.03317	5.5
57.77321	0.9
65.00195	2.2
71.01256	1.9
81.03331	3.2
83.01251	5.0
91.78898	0.9
92.84501	1.1
95.04926	0.9
96.95909	1.0
107.01293	4.5
109.02849	3.7
111.00766	1.2
115.00288	1.3
121.02769	1.2
123.00746	2.1
123.03529	1.6
123.04407	24.6
124.01591	1.7
125.02338	40.4
137.02324	4.8
139.00252	1.7
139.03908	3.8
147.00777	3.7
149.02301	1.3
151.00282	12.2
151.03983	1.0
152.01064	3.1
153.01825	8.1
160.55769	1.0
163.03838	1.5
165.01834	5.3
167.03403	76.2
168.03720	2.2
169.01289	7.5
175.00270	16.7
176.01010	1.4
177.01935	1.0
178.99808	11.7
181.04956	2.3
187.03917	1.7
191.01711	2.1
191.03416	30.4
191.05125	1.9
192.03763	1.8
193.01347	100.0
194.01695	4.1
209.04510	6.2
215.03467	5.9
221.04524	1.6
221.33900	1.0
225.66365	1.0
233.04587	1.6
257.04507	5.4
269.06650	1.2
283.02258	1.2
298.11859	1.2
301.03516	16.8
302.03809	1.7
313.05688	1.3
319.04578	12.6
329.08737	32.1
330.09076	2.8
425.14377	1.4
445.67273	1.1
483.07681	2.6
483.47318	1.1
496.52243	1.0
649.19006	5.5
650.20172	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3801
Annotation	Caryocaroside II-5
Peak:m/z	Relative Intensity
51.12657	0.4
55.01749	1.1
57.03323	4.6
59.01253	1.8
67.01754	0.8
67.67413	0.3
68.99688	0.8
70.89870	0.8
71.01250	4.4
71.04910	0.4
72.99172	2.2
75.00746	28.3
77.18694	0.3
78.95782	0.9
83.01257	0.9
85.02825	23.2
86.03152	0.4
87.00755	2.1
89.02325	0.4
95.01261	2.5
96.95918	0.4
99.00755	2.5
102.07163	0.3
105.51003	0.4
111.00760	0.7
112.01552	1.7
113.02331	12.6
113.71912	0.3
115.00232	0.6
116.01044	0.7
117.01811	0.8
129.01833	0.8
157.01352	1.4
175.02411	0.9
185.17412	0.4
267.34250	0.4
267.58969	0.4
453.33740	1.0
469.33322	0.8
471.34659	2.5
525.35840	1.3
553.35718	0.6
555.23529	0.4
571.36383	1.3
587.36035	0.4
610.01477	0.4
629.37036	0.5
647.37988	100.0
648.38373	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	647.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.4
59.01259	0.6
63.56602	0.2
65.00185	0.8
69.03342	0.2
69.33022	0.3
69.33437	1.4
71.01258	0.3
71.04894	0.3
80.17240	0.1
81.03333	5.8
81.07019	0.1
82.50464	0.1
83.01249	1.0
93.03348	0.3
93.33274	0.2
95.04906	0.2
97.02833	0.2
99.08035	1.3
101.05992	0.9
105.06986	0.2
107.01243	0.4
107.04868	0.2
109.02888	0.2
121.02834	0.3
123.00758	0.3
123.04427	0.2
123.08050	2.9
124.01505	0.3
125.02353	4.8
125.05975	5.7
126.02686	0.2
126.06446	0.2
127.07555	0.3
135.04399	0.2
136.05214	0.9
137.05960	0.2
139.03889	0.2
141.09097	1.0
147.08142	0.8
149.02361	0.9
150.06808	0.2
151.00279	1.0
152.01067	1.0
155.53696	0.1
165.09126	33.4
166.02695	0.2
166.09465	1.6
167.03261	0.3
167.07086	0.2
175.00249	0.4
177.09146	0.2
179.06984	0.4
179.10588	0.2
181.08621	0.3
191.07097	1.3
193.05048	0.2
193.08606	0.6
205.08664	0.8
207.06552	0.2
208.07375	0.3
209.08134	100.0
210.08456	5.0
215.07066	0.9
221.08125	0.5
222.08826	0.3
223.09741	1.7
233.08156	21.5
234.08453	1.6
251.09219	6.4
252.09818	0.3
263.09122	1.0
275.09219	0.3
293.21735	0.2
391.54456	0.2
647.34320	4.8
648.34546	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01786	0.4
56.31297	0.2
57.03358	1.0
58.00496	0.6
59.01252	5.1
66.03841	0.2
70.79424	0.5
70.79789	0.5
71.01256	5.0
72.99207	0.6
73.02876	1.2
75.00796	0.6
80.02604	1.0
81.03342	1.2
83.01270	0.6
83.04900	3.9
84.01666	0.2
84.02116	0.9
85.02833	2.1
85.03985	0.4
87.00798	1.2
89.02318	3.0
93.03360	0.3
95.01302	0.6
95.04904	0.7
96.95931	0.6
97.02851	0.7
97.06480	0.6
99.00793	0.6
101.02319	3.2
109.02834	0.4
109.06528	0.3
111.00785	0.3
111.99637	0.3
113.02335	2.7
113.69778	0.3
115.03978	0.3
119.03438	0.8
121.02890	0.3
122.06005	0.3
123.08067	0.3
125.02356	2.6
125.05978	0.6
125.09612	3.5
125.10371	0.3
127.11182	5.0
128.03418	0.5
128.11571	0.3
129.12788	0.2
133.02899	0.3
133.04988	0.2
135.08012	0.6
137.02385	0.6
137.09686	0.9
138.05516	0.3
139.11234	0.5
145.04924	0.6
147.04437	0.5
148.16167	0.3
148.78636	0.2
149.02419	0.3
149.09656	0.3
150.03056	0.3
151.03946	0.4
151.07596	0.3
155.10698	2.4
157.06142	0.5
157.12419	0.2
161.02437	0.3
161.04491	1.8
163.11191	3.0
165.01901	0.4
165.09108	1.7
165.12769	2.1
167.03481	0.3
169.01295	2.2
171.10197	3.2
177.01843	0.6
177.09192	0.3
179.03342	0.3
179.05640	0.6
181.12288	0.7
183.10243	0.9
185.11798	0.4
187.09766	0.3
190.02632	0.3
191.10701	0.8
195.06531	0.3
199.09647	1.8
201.11269	100.0
202.11613	5.1
209.11777	95.7
210.12126	4.5
221.11723	0.4
223.13274	0.4
227.12851	11.6
228.13165	0.8
229.09769	0.5
235.08200	4.1
239.12651	0.7
253.09262	17.5
254.09583	0.8
285.12408	0.4
286.10358	0.4
313.52274	0.3
319.13031	2.0
341.06573	0.3
360.16766	0.4
363.92709	0.3
375.21658	1.8
376.21667	0.3
393.22928	1.9
405.17200	0.4
411.23764	0.6
419.19254	0.5
437.20374	2.1
445.20502	0.9
479.67490	0.3
487.74759	0.3
495.12479	0.7
504.98700	0.3
529.24078	0.8
553.24170	0.3
571.25488	2.1
587.17188	0.5
597.23016	0.3
611.30176	0.4
615.24396	1.6
616.24713	0.5
647.28210	2.4
648.28595	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67556	0.3
57.03359	0.2
68.14069	0.2
70.06302	0.3
71.01246	0.3
71.59547	0.4
77.83640	0.3
79.95609	3.0
85.02818	0.6
96.95892	100.0
99.00798	0.3
113.02304	0.3
120.12278	0.2
124.28542	0.2
125.02312	0.4
141.26492	0.2
151.00345	0.3
191.01877	0.3
255.02983	0.4
271.02576	0.9
300.02698	1.3
301.03366	0.8
505.09854	1.7
506.09940	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63910	0.3
56.31770	0.4
57.03327	0.4
59.01249	0.6
65.00198	0.7
67.52244	0.3
69.49779	1.9
69.50207	1.2
71.01234	0.7
81.03334	5.1
83.01290	0.9
85.06462	1.0
87.04387	0.9
89.73981	0.4
96.95896	0.8
97.02830	0.5
98.20667	0.4
107.01273	0.5
109.02856	0.8
109.06466	3.4
111.04408	5.2
122.49435	0.4
125.02332	5.4
127.07536	0.7
133.06499	0.8
136.05223	0.6
137.02338	0.4
149.02367	1.6
151.00282	0.8
151.07559	36.7
151.72531	0.3
152.07872	1.3
152.99522	0.3
153.05411	0.5
164.82367	0.3
165.01857	0.3
165.05519	0.6
175.00261	0.4
177.05501	1.4
179.07066	0.5
191.06999	0.7
195.06563	100.0
196.06897	4.8
201.05486	1.2
207.06477	0.9
209.08104	2.1
219.06583	21.9
220.06952	1.3
221.08098	0.5
237.07660	10.4
238.08055	0.6
244.91119	0.4
249.07751	1.9
339.10803	0.4
377.20074	0.5
485.25665	0.6
609.89630	0.4
647.30756	5.8
648.31085	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	646.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82244	0.2
55.59272	0.2
57.03309	0.4
59.01248	1.2
61.98705	100.0
71.01259	1.6
71.02083	0.3
71.02422	0.3
73.02816	0.3
75.00734	0.4
82.87426	0.2
83.01265	0.3
83.04918	0.8
85.02843	0.7
87.00740	0.3
89.02343	0.4
91.14059	0.2
93.03336	0.2
96.95926	0.3
97.02880	0.2
99.00775	0.2
101.02341	0.5
113.02336	0.6
118.01356	3.1
123.07722	0.2
123.22297	0.2
125.02365	0.7
127.03902	1.0
137.02374	0.2
139.07613	0.4
156.12453	0.2
163.11247	0.3
165.05515	0.2
181.12320	0.3
197.11824	1.0
198.12157	0.3
199.13359	7.2
200.13713	1.0
201.11250	0.5
209.11780	6.9
210.12122	1.5
211.13562	0.3
227.12875	0.9
227.58220	0.2
228.13319	0.2
253.09213	1.0
310.95822	0.2
601.28809	0.6
601.39832	0.6
602.29083	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.6
59.01226	0.8
65.00194	1.1
68.85464	0.5
71.01257	0.7
71.58607	0.8
75.32834	0.6
78.95753	1.0
81.03334	6.5
83.01265	0.7
88.36774	0.5
99.08069	1.2
101.05976	0.7
107.01253	0.6
123.08035	2.5
125.02322	4.8
125.05977	5.1
137.02303	0.9
141.09129	1.0
149.02383	1.3
151.00290	1.0
152.01060	0.7
152.99484	0.9
165.09135	35.3
166.09460	1.4
176.95744	0.5
179.07066	0.7
191.07077	1.4
193.08673	0.8
199.20714	0.5
209.08139	100.0
210.08447	4.8
215.07133	1.2
223.09721	1.3
233.08162	24.5
234.08430	0.9
235.09860	0.6
251.09258	10.1
252.09647	0.7
263.09222	2.0
427.15042	0.6
444.48059	0.6
645.32874	7.6
646.33417	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26754	0.9
59.01251	100.0
62.13882	0.9
69.59209	3.8
69.59646	3.3
72.26743	0.9
78.95769	3.4
110.18320	0.9
148.05197	16.8
163.07549	18.1
164.07829	1.3
167.80643	1.2
214.68719	1.2
237.04472	0.9
277.21826	2.4
442.91248	1.2
591.46143	1.0
645.37152	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37280	1.2
55.01762	2.2
57.03321	3.1
59.01250	14.2
61.98716	1.5
68.47911	1.4
71.01254	20.7
71.04924	1.4
71.59888	1.4
71.60318	2.3
72.99174	1.6
73.02821	7.5
75.00740	1.9
83.01265	3.5
83.04904	33.2
84.05242	1.5
85.02826	13.6
87.00760	3.4
89.02328	4.5
95.01273	2.4
96.95893	6.6
99.00765	3.5
99.04422	2.6
99.07996	1.6
101.02326	14.6
109.02859	2.0
109.06523	1.7
111.00765	1.5
113.02354	7.8
121.02804	1.8
121.06454	3.6
122.03639	4.0
123.00851	1.7
123.04398	1.3
125.02362	6.7
127.03910	100.0
128.04239	3.9
137.02350	4.0
137.05986	6.7
139.03891	3.4
139.07555	37.2
140.07927	1.9
161.04475	3.5
163.33275	1.4
165.05492	19.0
169.12331	1.6
171.10202	2.3
197.11801	3.4
199.09677	2.7
201.11400	2.1
209.11772	5.1
227.12903	1.4
237.15115	1.6
421.33252	2.6
423.39047	1.4
439.34290	4.7
469.42163	1.5
517.26324	1.3
517.33734	21.5
518.34045	3.2
535.35162	4.4
583.12390	3.6
583.38501	3.2
601.29926	3.4
601.39539	69.3
602.39795	10.4
627.37457	3.7
645.38922	22.8
646.39026	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	645.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.3
57.03321	4.7
57.92621	0.7
59.01248	25.0
61.98701	54.2
63.21584	0.7
66.56237	0.8
67.57868	0.7
68.90557	0.7
69.03329	1.3
69.38759	0.7
71.01248	22.1
72.01612	1.0
72.99187	4.2
73.02830	2.7
75.00742	27.7
77.51907	0.7
83.01255	2.8
83.04901	1.5
84.02036	1.3
85.02822	29.5
87.00748	7.8
89.02338	2.4
95.01280	2.6
96.95883	2.6
97.02837	1.5
98.95403	1.0
99.00759	8.7
101.02309	6.3
109.02860	1.0
111.00755	1.8
113.02329	27.5
115.00265	1.3
117.01804	2.3
118.01376	1.7
125.02332	4.2
127.03898	1.3
129.01776	1.0
137.02316	1.5
157.01445	0.9
159.02869	1.0
161.04485	2.0
163.11214	1.2
171.10165	1.4
175.02391	3.6
197.11789	1.9
198.12093	1.0
199.09683	2.5
199.13348	2.0
209.11787	6.9
210.12201	1.1
227.12991	1.1
228.95094	1.1
253.09348	1.2
262.13998	0.9
383.24249	1.8
467.18539	1.0
497.27426	1.8
552.41046	0.9
573.15540	1.1
601.28619	100.0
602.28986	15.0
645.24426	0.8
645.38678	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47886	1.4
57.03318	4.9
59.01250	30.6
71.01256	25.5
71.24335	1.4
71.57605	2.6
72.99177	6.7
73.02823	3.3
75.00745	29.4
78.95781	3.0
83.01261	3.1
85.02823	39.4
87.00741	9.0
89.02340	1.9
95.01276	3.3
99.00758	13.1
101.02338	5.8
113.02332	39.3
115.00280	2.8
117.01837	3.0
129.01839	2.5
157.01357	1.8
175.02420	7.9
203.55498	1.8
211.13422	1.5
214.03535	1.5
229.14215	1.7
342.51584	1.7
377.06995	3.8
420.55066	1.9
453.59384	1.8
497.27911	2.0
601.28674	100.0
602.28821	12.8
645.34448	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	645.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	5.1
59.01252	30.6
71.01250	19.6
72.99149	4.3
73.02809	2.8
75.00743	29.4
83.01254	3.8
85.02817	26.2
87.00741	5.5
89.02314	3.1
95.01278	2.9
96.84068	2.1
96.95888	3.2
99.00760	10.3
101.02326	6.3
102.14904	2.3
113.02329	22.9
125.02307	3.9
199.13354	3.0
255.52324	2.5
289.25323	2.9
306.52325	2.1
383.24457	2.4
452.27689	2.4
601.28619	100.0
602.28888	19.9
661.88251	2.4
667.99512	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	645.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.6
57.03327	1.6
57.19609	0.7
59.01250	39.0
59.38940	0.7
59.87414	0.7
69.03321	1.2
69.47388	7.7
69.47705	0.7
71.01250	22.3
72.99193	1.8
73.02818	15.4
83.01279	2.3
85.02816	5.9
87.00751	1.9
89.02309	12.1
95.01252	1.6
97.02818	1.5
97.22275	0.8
98.20633	0.9
99.00755	35.7
101.02325	11.5
103.14326	0.9
111.04391	3.7
113.02332	9.2
119.03434	2.0
121.06523	0.9
125.02358	1.9
125.09600	0.8
127.39062	0.9
131.03375	1.6
131.55949	0.8
134.82550	0.7
137.09595	1.0
143.03380	1.5
149.04453	2.2
161.04454	2.2
165.09166	0.9
177.13083	1.0
178.78632	0.8
180.76019	0.8
187.11192	1.2
191.05516	3.9
195.42029	0.7
203.05560	1.1
203.14368	6.7
205.12247	0.9
271.33148	0.8
383.20581	1.2
394.41245	1.0
407.96472	0.9
429.48431	0.9
515.24786	2.0
557.26672	1.0
559.23840	2.2
601.24976	100.0
602.25299	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	645.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.4
59.01256	9.6
71.01246	6.8
71.59893	1.7
72.99184	24.0
73.02831	1.5
75.00758	2.2
83.01294	1.8
83.04878	1.1
85.02838	6.2
85.03285	0.9
87.00750	1.6
89.02294	2.4
95.01254	1.8
96.95911	3.5
97.06509	1.0
99.00751	2.0
101.02312	2.8
105.37179	0.9
106.04122	10.1
109.02872	1.2
113.02309	6.8
113.03753	0.9
117.03356	1.5
119.04919	100.0
119.99208	1.0
120.05245	2.5
121.02809	2.6
123.04391	1.4
125.02346	4.7
125.09611	1.1
135.04379	1.3
135.93140	1.0
137.02345	3.0
138.03111	2.1
145.02864	3.1
148.84460	0.9
149.02330	1.2
150.03128	2.3
151.03876	1.2
161.02354	1.1
161.09628	32.7
162.03165	1.2
162.09959	1.3
163.03920	71.3
164.04361	2.2
165.01820	2.8
165.05463	1.4
167.07060	1.2
169.01350	2.5
171.10149	1.1
175.03911	1.4
195.06586	1.4
197.11797	3.7
198.12100	1.3
199.09741	5.2
199.13368	3.4
201.11232	2.2
205.08635	54.5
206.08963	1.9
209.11777	13.5
210.12158	1.6
223.06029	1.2
227.12775	2.6
253.09187	1.9
257.98462	1.2
277.07141	2.5
283.06305	1.2
301.23877	1.1
439.12445	13.7
457.13550	42.8
458.13828	4.4
596.66565	1.1
645.21246	18.7
646.22437	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	645.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61633	0.9
56.09861	0.9
57.22558	0.9
58.02847	8.5
59.01245	5.6
59.72877	1.0
61.75005	1.0
70.02863	6.0
71.57536	1.5
72.00777	2.7
74.02348	36.5
85.02805	1.4
96.95882	1.3
98.02368	7.2
108.00689	1.0
108.76566	1.0
116.03443	8.9
116.04944	16.4
125.02370	2.1
130.06500	1.6
138.01999	1.0
142.06508	3.5
159.09186	2.2
167.03333	1.2
169.01331	2.1
186.05618	1.0
201.10281	3.4
203.08189	35.7
204.08575	2.0
234.02576	1.1
238.38875	1.1
245.09276	100.0
246.09581	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	645.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79931	0.3
59.01252	1.7
63.99272	0.4
69.03334	1.1
71.01261	1.2
71.57581	0.6
72.99186	1.1
73.02828	0.9
74.38992	0.4
78.95771	0.8
81.03349	0.5
83.01260	0.5
85.02845	0.9
95.01257	0.9
96.95898	1.2
97.02827	2.0
99.00700	0.4
101.02339	0.9
109.02829	0.7
111.00748	0.5
113.02322	0.9
119.04897	0.4
121.02876	0.6
123.00776	1.2
124.01553	3.5
125.02338	60.2
126.02676	1.4
134.03612	0.5
137.02347	0.9
137.09587	0.9
139.00293	0.4
149.02325	0.8
151.03931	0.9
155.10689	9.1
156.10846	0.6
163.03929	0.6
166.99762	0.9
167.03423	0.9
168.00562	6.7
169.01337	100.0
170.01662	3.9
175.03793	0.6
177.01794	0.6
181.01396	0.6
193.04958	0.9
199.09686	3.6
207.06630	1.2
242.87743	0.4
265.03500	0.6
313.05634	1.1
331.06741	4.0
343.06516	0.8
354.49744	0.4
427.08817	0.5
445.09790	7.3
446.10107	0.6
463.10822	4.7
464.11255	0.5
475.12482	0.4
475.17914	2.0
481.17825	0.5
513.15857	0.5
645.20337	34.5
646.20563	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	645.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96676	0.2
57.03311	0.7
59.01251	2.7
65.03850	0.5
70.36641	0.5
70.37031	0.5
71.01258	2.2
72.99169	0.5
73.02822	0.6
75.00740	1.8
78.95776	1.1
83.01270	0.4
83.04897	0.7
85.02815	2.8
87.00750	0.6
89.02319	0.7
93.03339	49.4
94.03641	1.4
95.01293	0.4
96.95901	0.9
97.99300	0.2
99.00765	0.5
101.02326	0.8
101.05965	0.5
109.02810	0.3
111.00794	0.4
111.91543	0.2
113.02339	2.0
117.01839	0.3
119.04922	0.7
123.00826	0.3
123.04353	0.3
124.01525	0.2
125.02337	2.4
135.04398	0.3
137.02348	100.0
138.02678	3.5
149.02345	0.4
150.03226	0.3
151.00258	0.4
151.04013	0.3
152.01151	0.2
152.99490	0.5
161.02316	0.5
163.03929	0.5
165.01849	0.6
168.00507	0.3
169.01367	1.5
177.01764	0.2
180.04257	0.3
193.05003	0.2
195.06519	0.4
211.13367	0.5
229.14447	0.3
241.01065	0.3
289.06970	0.3
301.03540	0.3
329.23444	0.9
463.14502	1.7
601.18335	0.8
645.15643	0.4
645.28961	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	643.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44420	1.3
57.22770	1.4
59.01265	1.8
61.98710	2.2
66.10425	1.6
68.74911	1.4
68.75294	1.5
69.63497	3.7
69.63907	7.7
78.95776	100.0
96.96840	10.6
101.14663	1.5
110.47793	1.5
125.50587	1.4
134.98477	1.8
152.99487	67.0
183.13840	5.4
193.12346	2.5
195.13882	8.2
211.13333	62.1
212.13631	3.6
259.93063	1.6
277.21643	10.2
295.22787	37.5
347.12674	26.0
365.13559	8.6
369.58862	1.4
431.22003	26.3
432.22598	2.2
449.23193	9.3
643.36115	25.6
644.36383	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	645.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21173	1.0
59.01267	1.3
59.11005	1.0
66.17388	1.0
71.01258	1.2
71.58510	1.2
71.58867	1.7
72.22462	1.1
73.52779	1.1
85.02818	1.5
89.66909	1.0
92.72434	1.0
95.52091	1.0
107.01277	3.6
121.21403	1.0
123.00775	3.1
124.01579	2.0
125.02345	100.0
126.02683	2.6
138.82750	1.0
151.00258	2.6
168.00591	3.4
169.01346	45.5
170.01720	2.0
278.53842	1.1
287.07693	12.6
302.74124	1.1
313.05707	8.8
331.06650	7.9
413.48822	1.1
439.08801	75.1
440.09164	6.5
465.06729	1.5
483.07916	6.0
601.14276	9.5
645.13202	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	643.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.4
57.03329	0.7
59.01252	4.3
64.77953	0.3
69.03339	0.9
70.71402	1.1
71.01254	3.8
73.02824	0.8
78.72723	0.3
80.02546	0.8
81.03336	0.8
83.01290	1.1
83.04896	3.6
83.05299	0.3
84.02059	0.6
85.02814	1.8
87.00787	1.0
89.02313	2.5
95.01268	0.4
96.95925	0.5
101.02318	3.5
113.02328	2.1
119.03429	0.6
123.08034	0.3
124.16357	0.3
125.02340	0.8
125.05994	0.6
127.03937	1.3
135.08124	0.4
139.07552	0.6
153.09122	0.6
153.12743	1.1
154.46626	0.4
161.04485	1.2
163.11234	2.7
163.12418	0.4
165.05495	0.7
165.12799	1.8
169.12263	5.2
171.10225	1.8
179.05460	0.3
179.10733	0.9
181.12279	0.5
191.10649	1.0
195.13750	0.4
197.11766	100.0
198.12128	5.5
199.13390	0.4
201.11272	5.2
209.11771	87.0
210.12099	4.9
211.13336	0.5
223.13350	5.6
224.13696	0.5
227.12839	12.1
228.13184	0.8
235.08156	4.2
235.13353	1.4
253.09241	8.2
254.09697	0.5
389.23474	0.9
407.24234	0.4
415.19760	0.5
433.20721	3.6
445.20679	0.8
459.22266	0.8
599.37793	0.9
607.31299	0.6
625.32251	0.8
643.17310	0.4
643.34503	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.7
59.01252	6.3
61.98705	1.2
69.03355	1.4
69.51095	3.1
71.01252	5.5
71.01606	0.4
72.23772	0.4
73.02836	1.3
75.00766	1.1
80.02554	1.0
81.03343	0.8
83.01276	1.1
83.04904	4.4
84.02029	0.5
85.02828	2.7
87.00756	1.0
87.64415	0.4
89.02323	3.1
95.01283	0.9
95.04920	0.9
96.95886	2.9
98.19868	0.7
99.00771	0.5
101.02310	4.5
113.02334	2.8
119.03437	0.8
121.02863	0.6
125.02360	1.5
125.05997	0.5
125.09620	1.6
127.03914	0.5
127.11225	1.0
135.08020	0.9
143.03345	0.6
145.05031	0.6
153.09149	0.5
153.12776	1.2
155.10661	0.5
161.04483	2.5
163.11224	3.3
165.09230	0.5
165.12788	2.2
167.03381	0.5
167.10664	0.5
169.12234	6.3
171.10208	1.6
174.36752	0.5
179.05591	0.5
179.10667	1.0
179.14325	0.8
181.12265	0.8
191.10750	0.9
195.13795	2.2
197.11768	100.0
198.12115	4.7
199.09662	0.5
199.13348	1.3
201.11258	28.2
202.11650	0.9
205.12233	2.0
209.11774	88.3
210.12108	5.0
211.13353	3.4
223.13336	17.2
224.13702	1.6
227.12856	13.8
227.15106	0.5
228.13222	0.8
235.08211	4.9
235.13306	1.4
245.63620	0.4
248.04573	0.4
253.09268	14.8
254.09723	0.7
281.09256	0.4
295.11115	0.7
371.21976	0.7
389.23169	1.8
407.24374	1.6
433.20795	3.0
445.20679	0.5
459.22470	2.2
463.21912	0.5
599.27100	1.2
599.36993	0.4
607.31189	0.9
611.24377	0.6
625.32104	0.9
643.16583	0.6
643.33405	1.2
644.33771	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.2
59.01254	15.1
69.03342	1.2
70.92129	1.1
71.01260	9.7
73.02812	1.0
75.00756	0.8
77.03839	0.5
77.24474	0.5
77.28461	0.5
78.29233	0.5
78.95802	0.9
80.08550	0.5
81.03364	0.5
83.01266	4.1
85.02828	3.1
87.00748	0.9
88.98695	0.6
89.02332	5.7
93.03313	1.3
95.01251	1.7
95.04891	0.6
97.02832	4.2
99.00826	0.7
99.77378	0.6
101.02326	4.9
108.02077	1.8
109.02850	12.0
111.00744	0.7
113.02349	3.9
117.03305	0.7
119.03390	1.3
121.02858	4.8
122.03627	9.4
123.04434	7.5
124.01588	3.1
125.02338	4.8
131.04926	0.8
133.06424	0.6
135.04420	2.4
136.01535	1.4
137.02354	30.7
138.03021	1.8
139.03947	2.7
145.02794	1.5
146.03667	1.4
148.05237	0.7
149.02359	3.3
150.03110	2.1
151.03946	3.5
153.01825	1.0
154.02644	2.3
159.04414	2.2
161.02356	2.4
161.04793	0.6
161.06003	4.6
162.03145	1.7
163.00261	1.3
163.03935	2.4
164.01042	5.8
165.01855	44.6
165.05508	1.5
166.02295	1.8
169.01329	1.4
175.03931	2.2
175.07559	0.9
176.04608	0.7
177.01820	0.6
177.05504	2.1
179.03409	5.5
180.04149	1.0
185.06020	0.9
187.03951	2.9
188.04623	1.7
190.27426	0.6
201.05530	1.6
202.06271	1.0
203.03407	0.7
203.07094	7.7
204.04214	0.7
204.07579	0.6
205.05026	11.9
206.05501	0.6
209.11816	1.6
230.05542	0.7
231.02975	1.1
243.06616	0.7
244.07336	2.2
247.06084	2.7
288.06268	3.1
419.22238	4.3
420.22824	0.7
463.21310	0.9
479.23184	1.3
481.21994	0.7
491.22971	2.2
519.22174	1.3
533.23914	0.8
599.28387	1.8
643.27612	100.0
644.27972	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	643.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46296	0.6
54.36653	0.5
55.01729	0.6
57.03313	1.1
59.01253	10.7
68.99689	0.7
69.03326	0.9
69.81602	3.7
71.01250	7.4
72.99161	0.9
73.02804	0.9
75.00759	0.7
78.95768	0.8
83.01254	5.3
85.02827	3.0
87.00757	0.8
89.02328	4.6
93.03332	2.2
95.01260	2.1
95.04911	0.7
97.02848	4.9
98.19580	0.7
98.19802	0.6
101.02328	4.9
108.02042	1.6
109.02841	8.7
111.00794	0.6
112.28659	0.7
113.02322	2.1
114.84863	0.6
117.03381	0.6
118.41805	0.6
119.03372	1.7
121.02846	5.7
122.03638	9.0
123.04428	4.9
124.01569	3.4
125.02335	3.9
135.04362	2.0
136.01552	1.2
137.02354	31.0
138.03081	2.6
139.03868	2.0
146.03580	1.1
149.02376	4.3
150.03108	2.2
151.03952	3.6
154.02611	2.3
154.61098	0.6
159.04443	2.2
160.05145	1.0
161.02330	2.0
161.05975	4.2
162.03136	1.8
163.00209	1.2
163.03906	2.3
164.01074	5.8
165.01857	40.0
165.05527	1.5
166.02260	1.4
169.01350	1.1
172.16147	0.6
173.06042	0.7
175.03871	1.7
177.01854	0.9
177.05504	1.6
179.03400	4.5
181.76353	0.6
187.03954	2.6
188.04695	1.5
201.05469	1.8
202.06308	1.2
203.03322	0.8
203.07065	6.5
204.04105	0.8
205.04967	9.5
214.35519	0.7
231.02873	1.1
236.35098	0.7
244.07397	1.3
247.06133	1.6
288.06421	2.4
311.16458	0.8
395.22040	0.7
419.22293	4.9
420.23169	0.8
463.21323	1.1
479.22983	0.8
491.23004	1.8
492.23425	0.9
533.23682	0.9
599.28699	2.1
643.27600	100.0
644.27954	18.9
644.38733	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	1.3
59.01255	11.8
69.03325	1.2
69.40756	1.6
69.41181	3.9
71.01261	8.2
72.99163	0.8
73.02819	0.9
75.00741	0.9
78.95773	2.5
80.13017	0.5
83.01254	4.2
83.04868	0.7
84.26134	0.6
85.02824	4.4
89.02332	5.7
93.03323	2.5
95.01247	2.0
95.04898	0.7
96.95879	0.8
97.02844	4.0
98.19842	1.2
101.02316	5.1
108.02098	1.5
109.02840	9.7
111.00831	0.7
113.02319	2.5
119.03381	1.3
119.04903	0.6
121.02860	4.7
122.03638	6.5
123.00762	1.4
123.04426	5.8
124.01569	3.0
125.02361	5.8
135.04381	1.2
136.01556	0.9
137.02351	26.3
138.03012	2.2
139.03903	3.1
145.02876	0.8
146.03641	2.1
147.68024	0.7
149.01158	0.6
149.02327	3.4
150.03081	2.7
151.03853	3.0
152.00975	0.8
152.99474	0.7
153.01823	0.8
154.02615	1.7
158.03593	0.6
159.04430	2.2
159.13341	0.6
161.02327	1.6
161.04790	0.8
161.05992	4.9
162.03152	1.5
163.00267	0.9
163.03929	2.2
164.01073	5.3
164.04765	0.7
165.01857	35.2
165.05505	1.3
166.02438	1.0
168.00679	0.7
169.01314	2.1
173.06029	1.1
175.02495	0.7
175.03928	1.6
177.01834	1.3
177.05482	2.5
179.03458	3.7
187.03951	2.7
188.04675	1.0
191.03516	1.1
193.05026	0.6
197.11728	0.7
201.05533	1.7
202.06261	1.1
203.07068	6.6
205.05003	9.3
207.06662	1.2
209.11795	1.6
210.12064	1.0
223.06093	1.7
229.04967	0.8
231.02914	1.7
244.07291	1.0
247.06091	1.2
288.06445	2.6
289.07025	0.9
395.22397	1.1
419.22260	2.9
463.20618	0.9
479.23044	1.3
491.23080	3.4
519.22040	0.9
599.28229	2.5
643.27594	100.0
644.27856	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65557	2.9
54.09042	2.8
57.03311	3.9
59.01251	33.7
68.03088	2.5
71.01254	38.3
71.57635	5.2
72.99161	4.9
73.02797	9.2
74.76877	3.5
75.00745	40.4
78.95752	5.6
80.41777	3.0
83.01251	8.3
85.02815	33.6
87.00758	9.4
89.02309	5.9
96.95882	15.9
96.96867	4.2
99.00746	11.9
101.02311	9.1
109.02863	2.8
113.02332	42.5
139.03883	12.1
173.04402	6.1
175.02397	6.1
197.11659	3.9
206.11737	3.0
308.92496	3.0
325.77148	3.8
356.03955	3.1
439.15402	3.4
481.23212	3.5
526.46826	3.2
599.27075	100.0
600.26886	16.3
643.33612	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	643.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17693	0.6
57.03314	2.8
59.01250	16.2
65.77761	0.6
68.27268	0.7
69.03314	1.2
70.82182	0.6
71.01256	10.0
71.60798	1.2
72.99184	2.6
73.02801	1.1
75.00750	0.9
78.95760	0.8
81.03335	1.2
81.50386	0.6
83.01258	6.2
84.54675	0.7
84.92382	0.7
85.02812	5.4
87.00762	1.5
89.02332	6.0
93.03335	2.7
95.01263	2.6
95.04908	1.2
96.95866	0.9
97.02842	4.3
97.86062	0.6
99.00790	1.2
99.04414	0.9
100.91785	0.7
101.02337	5.8
105.01868	0.7
107.04885	0.8
108.02055	2.2
109.02840	10.6
113.02363	4.7
119.03389	1.8
121.02835	5.6
122.03629	6.7
123.00744	1.3
123.04426	8.7
124.01547	4.2
125.02366	10.6
133.02797	1.0
133.15897	0.7
135.04417	2.6
136.01570	1.2
136.05132	0.6
137.02356	31.2
138.03052	2.2
139.03914	2.1
145.02875	1.6
146.03687	1.7
147.04419	0.8
149.02388	6.0
149.05986	0.9
150.03108	2.5
151.03934	4.7
151.07503	1.9
153.01802	0.9
154.02612	2.7
159.04408	2.2
161.02359	4.4
161.04652	0.9
161.06000	5.5
162.03133	2.4
163.00247	1.3
163.03877	3.2
164.01094	5.6
165.01862	39.8
165.05440	1.4
165.09160	1.4
166.02179	1.4
167.03320	0.8
169.01324	4.7
173.06090	0.7
174.03099	0.7
175.00215	0.7
175.03940	2.1
176.01071	1.1
177.01881	5.7
177.05486	2.9
179.03458	4.5
187.03943	2.8
188.04764	1.2
189.01843	1.8
191.03375	1.5
192.04195	0.8
195.06512	0.7
197.11646	1.3
201.05542	2.3
202.06328	1.5
203.03503	1.1
203.07071	7.2
204.04150	1.3
205.05019	10.7
209.08151	5.0
209.11688	1.5
216.00558	0.7
217.01340	1.6
219.02711	0.8
227.12785	1.3
229.05116	1.0
231.03017	1.9
233.08240	0.9
239.26920	0.7
244.07338	1.4
245.08287	0.8
247.05971	1.6
267.07193	0.8
269.04492	0.8
269.44119	0.6
271.06049	0.9
275.09174	0.9
288.06345	2.4
289.07181	1.6
313.07343	0.7
335.22153	1.7
337.22797	1.2
339.05194	0.9
341.06961	3.1
395.22131	0.9
419.22327	5.1
463.21176	0.8
479.22717	1.6
491.22906	3.7
492.23444	1.1
539.17010	0.7
599.28302	2.2
643.27606	100.0
644.17279	0.8
644.27930	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	643.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07154	2.8
52.42157	3.0
52.55602	2.6
57.03318	6.4
59.01248	12.0
69.03329	5.6
70.25182	11.8
71.01264	24.3
73.02817	8.1
78.95782	5.7
83.01277	4.5
85.02335	5.8
85.02825	66.0
87.00755	100.0
89.02325	3.8
95.01259	9.3
96.95898	4.6
97.02827	26.8
103.03918	14.2
110.69159	2.8
111.00736	3.4
113.02328	48.5
115.00255	10.2
152.64430	2.9
157.01331	10.4
173.04391	5.4
175.02391	56.9
191.31747	2.8
194.61989	3.0
199.78195	2.9
217.03502	26.0
220.05913	2.5
303.07227	21.0
307.67914	3.3
321.08310	7.2
349.89203	3.6
354.94061	3.1
431.20682	3.2
479.10364	6.3
539.12463	12.1
625.16400	4.4
635.19696	3.5
643.16986	16.3
672.37146	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	643.24
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	4.9
61.03567	0.7
61.98700	4.7
67.01774	1.4
71.01248	2.0
71.57585	0.9
78.95769	1.1
85.02811	1.2
93.03374	1.3
93.16879	0.7
96.95895	12.4
96.96822	1.2
101.02332	2.4
107.04926	0.9
109.02842	3.9
113.02338	1.8
119.03400	1.4
121.02832	1.2
123.00791	1.4
125.02353	1.8
135.04445	0.9
136.01552	1.7
137.02342	26.8
138.02998	0.9
139.03915	0.9
141.01587	1.6
145.97298	0.7
149.02390	0.8
150.03174	2.0
151.00278	6.9
151.03961	3.9
152.01050	1.2
152.04727	2.1
159.04398	0.8
161.04443	0.9
163.03912	0.9
163.98694	0.8
164.01097	3.5
165.01851	100.0
165.05507	3.5
166.02618	16.9
167.03331	1.7
175.03908	1.7
175.83914	0.8
176.14241	0.8
177.01871	1.5
177.05525	0.8
179.03419	19.4
180.04201	52.7
181.04973	20.2
182.05316	1.4
187.03952	2.2
192.04131	1.3
193.05000	1.9
194.05786	2.5
195.02892	2.6
195.06563	71.2
195.32666	0.7
196.06885	5.0
205.05035	5.5
210.05309	9.9
219.06703	0.9
220.07375	3.8
225.07631	49.6
226.08012	2.7
235.09837	0.8
282.05405	3.2
297.07776	1.9
319.22772	17.6
319.26315	1.5
320.23212	1.6
359.11411	2.5
372.11661	1.2
387.10236	1.9
387.11627	1.2
387.14667	7.2
402.12994	1.3
403.14050	1.1
407.08798	0.9
416.15039	1.3
417.15591	24.5
418.15955	2.7
565.20422	3.5
577.21130	0.9
580.19116	1.7
595.21844	36.3
596.22382	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	643.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86378	0.3
55.01747	2.0
57.03325	7.5
58.00472	0.6
58.39398	0.4
59.01250	7.5
60.56642	0.3
61.07823	0.3
62.69445	0.4
67.01746	1.0
68.99687	1.7
69.03324	7.4
70.71043	0.6
70.71376	0.6
71.01255	17.7
72.99188	1.7
73.02818	12.6
75.00762	0.3
81.03347	1.9
83.01261	4.7
83.04929	0.8
84.02032	0.8
85.02825	59.3
86.03162	1.0
87.00751	100.0
88.01087	1.6
89.02298	0.5
93.03308	0.5
95.01261	9.1
97.02830	27.6
98.03159	0.7
99.00751	1.9
99.04432	0.8
99.23905	0.3
101.02324	2.0
103.03888	11.8
108.02056	0.7
109.02821	2.0
111.00751	2.1
113.02329	43.7
114.02671	1.2
115.00262	11.3
115.03890	2.3
116.00601	0.5
125.02345	0.7
127.03880	1.4
129.01822	2.6
131.03403	1.2
139.00276	2.0
145.04991	1.0
157.01323	10.4
158.01770	0.5
173.04497	3.7
175.02399	75.2
176.02769	2.1
191.05519	0.6
197.39513	0.4
199.02338	0.4
207.26022	0.4
217.03485	25.1
218.03806	0.9
235.04773	0.6
303.07211	31.3
304.07510	2.3
321.08240	11.0
322.08582	1.0
334.82721	0.3
347.18192	0.4
381.10284	1.5
479.10434	10.1
480.10736	1.1
495.13602	1.0
497.11246	1.4
539.12512	18.9
540.12659	2.1
625.16113	10.1
626.16077	0.8
643.17267	30.8
644.17676	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	643.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.5
69.49866	1.3
71.01237	0.4
73.02802	0.2
77.85210	0.2
78.95777	2.2
79.95605	3.0
95.01265	0.2
96.95892	100.0
96.96886	3.1
97.92999	0.2
97.95824	0.3
113.92493	0.4
114.93323	1.0
116.30869	0.2
118.96505	0.2
125.02336	1.2
178.99872	0.2
189.30803	0.2
195.04469	0.5
202.41161	0.2
206.15921	0.1
211.04053	0.2
239.03476	1.8
254.05818	1.3
259.01398	0.5
267.03055	0.7
282.05341	7.1
283.05688	0.4
297.07675	11.9
298.08014	0.8
307.06223	0.3
339.08801	0.3
616.85822	0.2
626.84601	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50047	9.2
59.01248	30.0
61.05523	8.0
68.99676	9.7
71.01255	25.4
71.59523	8.4
71.59921	13.9
75.00758	16.1
75.81428	8.8
76.28632	8.7
78.24969	8.7
81.03331	19.0
83.01271	25.4
85.02812	21.9
87.00764	10.8
93.03353	16.9
95.01245	15.6
95.04901	12.0
97.02783	19.0
99.00726	12.0
107.01266	10.9
107.04914	14.4
109.02820	19.8
111.00738	16.7
111.03159	9.3
113.02315	12.2
117.03328	15.8
119.04910	14.4
121.02855	23.1
121.06447	9.4
123.00777	14.0
123.04426	42.0
125.02313	76.4
133.02924	13.6
135.04445	38.6
137.02344	28.9
139.03906	18.4
144.09174	8.6
147.04434	9.0
149.02390	34.4
150.03154	14.9
151.00269	16.6
151.03911	29.7
153.01828	37.3
161.02319	12.7
163.00281	14.8
163.03932	19.8
165.01813	25.4
165.05489	15.9
166.02596	9.5
167.03394	38.7
177.01884	41.6
179.03394	45.9
181.01239	9.8
191.03438	30.4
193.01390	41.4
195.02913	21.0
195.06563	10.1
201.01881	9.1
201.11221	12.3
205.01360	17.2
207.02954	39.1
209.04462	70.5
209.11763	10.5
215.03523	11.9
219.03001	53.3
221.00789	20.3
223.02448	23.7
225.04016	15.2
235.02483	52.1
237.04057	15.6
239.05479	21.0
243.06813	9.9
247.02347	11.9
249.04013	23.5
253.03477	12.0
263.19531	10.6
265.03506	28.9
267.05228	15.9
273.04150	11.0
285.08038	13.1
285.23325	10.5
295.04535	10.6
303.07318	13.6
311.05542	18.3
313.07309	14.0
341.06369	13.9
342.47342	10.7
343.07327	12.0
353.06567	38.7
355.07266	13.1
361.02151	10.1
371.07584	11.4
383.07266	42.5
385.05664	19.1
387.07266	14.5
399.07434	11.9
403.06262	15.2
415.06747	21.2
433.07809	10.3
445.08154	12.4
449.12894	24.1
473.10828	13.0
476.09906	11.2
477.10358	11.9
481.09760	19.7
487.10995	63.8
489.10577	19.6
493.09979	18.8
505.09875	65.2
506.10690	42.8
523.11053	21.7
593.15167	100.0
602.87732	10.0
609.14355	32.9
625.13727	15.9
626.14612	19.6
643.14941	94.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	11.5
59.01249	8.1
59.98395	5.0
71.01245	8.8
71.58757	6.0
75.00746	4.5
78.95779	4.8
81.43134	2.9
87.00722	5.2
89.02328	7.0
93.03333	6.9
97.02845	3.2
99.04459	3.1
107.04842	3.2
109.02876	3.2
117.06944	3.1
119.08574	3.7
121.10129	13.1
123.04408	4.8
125.02335	36.3
125.09618	5.7
130.43050	2.7
137.02353	7.5
137.09604	9.0
139.11142	3.8
143.10677	5.5
144.89185	2.9
147.08020	4.9
149.09676	6.2
151.03935	7.7
159.10217	7.2
165.01842	5.0
167.10635	3.5
171.10182	8.3
175.03841	3.7
183.13829	3.7
185.11787	8.9
193.08389	18.1
197.11975	4.0
207.10016	29.2
209.07935	4.6
209.11746	4.4
211.13379	38.7
212.13676	3.2
219.10088	4.9
229.19649	5.2
245.19102	11.8
256.03940	3.2
271.13147	4.0
277.21924	4.9
285.14700	9.6
289.07291	8.2
291.19635	25.1
295.16803	5.9
297.18353	23.9
311.16263	9.1
313.17828	100.0
314.18170	9.5
329.17349	59.9
330.17758	6.8
331.18716	9.6
373.16074	3.8
407.07587	5.1
435.34753	7.5
442.29715	3.7
457.29147	6.4
461.26831	4.3
536.13031	3.1
641.42303	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	641.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	3.1
59.01255	2.1
61.68594	1.0
67.17366	1.0
68.04854	1.0
69.03299	1.0
71.04886	2.2
71.37724	2.1
76.67880	0.8
78.95781	2.5
80.02518	1.0
82.49245	0.8
83.04893	2.2
85.06453	1.5
87.04377	1.5
93.03324	1.8
95.04949	1.3
97.02825	1.1
97.06479	1.2
102.79150	0.9
107.34146	0.9
109.06454	3.0
111.04357	1.9
123.04378	1.5
125.02315	1.9
167.03378	2.8
167.10690	1.2
177.12726	6.8
179.14352	2.4
195.13857	9.6
205.12292	2.0
211.13353	11.6
212.13594	1.1
215.10281	1.1
221.15477	8.9
223.13333	5.7
233.15208	1.1
239.16458	1.7
245.11574	69.4
246.11954	3.7
263.11053	1.0
273.07648	3.2
273.14813	1.6
273.18311	1.1
275.12579	1.0
283.10980	2.9
291.19669	20.4
292.20041	1.4
309.20728	100.0
310.21030	8.1
331.18909	9.5
469.24551	4.1
471.26181	2.0
485.74152	1.0
555.31873	1.5
558.41516	1.3
609.23389	2.0
641.25366	1.0
641.36841	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	641.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.2
58.00477	0.9
59.01258	4.5
69.03323	3.8
71.01255	2.5
71.04903	1.0
71.58682	1.5
76.30891	0.8
83.04917	1.4
93.03323	2.0
101.02310	1.6
107.08521	1.2
109.06454	1.0
119.08564	11.9
121.10142	1.5
125.02304	1.1
125.09621	4.2
127.11202	1.8
135.08099	1.1
137.09621	15.6
139.11206	4.7
151.11136	1.4
153.09152	0.9
155.10632	1.8
161.33397	0.8
165.09094	1.0
167.10664	3.0
171.10181	44.1
172.10483	2.7
177.08966	1.2
179.10425	2.4
183.10182	2.4
183.13831	4.3
185.11760	10.0
193.08333	5.4
193.12289	2.0
193.33769	0.9
195.10196	0.8
197.11723	2.3
201.11261	2.4
207.09964	78.7
208.10268	3.3
209.08002	1.3
209.11694	1.3
211.13345	70.0
212.13733	4.8
213.11275	2.7
220.03088	1.0
223.09439	2.1
225.11272	1.3
227.17987	2.2
229.19659	1.6
233.11583	2.2
235.08098	1.3
240.23982	0.8
245.19104	5.3
253.09268	2.6
253.71568	1.0
257.44232	1.2
273.18622	4.8
291.19638	12.3
293.72348	0.9
295.16815	3.5
309.20706	100.0
310.21051	7.8
313.17850	75.9
314.18213	6.7
331.18112	1.2
387.25458	1.0
447.22446	1.6
623.37726	1.6
641.39935	10.8
642.40216	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	641.404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	1.1
58.00455	1.0
59.01245	2.7
61.98682	0.9
67.99220	0.9
69.03334	1.1
71.01259	3.1
71.58404	0.9
73.02820	1.3
74.44121	0.9
83.04871	1.0
89.02284	0.9
95.65816	1.1
111.08050	15.2
112.08407	0.9
113.02295	1.1
127.07541	1.4
135.08096	1.5
137.09599	1.1
145.89751	0.9
147.11658	1.4
150.06755	2.6
151.11171	2.2
153.12680	1.2
163.07573	2.9
165.12723	2.2
167.10707	1.2
169.12268	4.6
171.10170	1.9
179.10637	2.7
181.12251	1.1
183.13847	6.8
193.12241	2.3
197.11771	46.2
198.12071	2.8
199.13382	2.1
200.54965	0.9
207.09941	1.6
209.11681	1.6
210.12004	1.0
211.13336	100.0
212.13649	7.6
215.10463	1.3
219.09979	31.9
220.10370	1.5
227.12706	1.2
233.11540	14.6
235.07979	1.3
251.11411	1.1
253.09285	5.1
263.20145	3.2
265.18094	1.8
287.16235	1.6
291.19675	10.0
292.20001	1.1
309.20700	71.4
310.21024	5.4
313.17871	3.2
331.18863	18.5
332.19119	1.8
375.17780	2.2
387.25208	1.1
445.24472	2.0
447.22189	4.2
478.36755	3.1
479.37280	7.0
543.31506	1.3
623.33990	1.5
641.40051	8.8
642.39893	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	641.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.1
59.01250	2.2
62.40377	0.4
68.82048	0.3
69.03339	1.2
70.77464	0.7
70.77819	0.6
71.01260	1.6
73.02814	0.4
73.37823	0.3
83.04931	0.5
85.02822	0.6
87.00726	0.6
89.02317	0.8
93.03338	0.5
95.04871	0.5
97.06441	0.4
101.02324	1.3
111.08035	0.8
113.02361	0.6
119.08555	3.4
120.29047	0.3
121.10122	0.4
125.09630	1.3
127.11163	0.9
135.08124	0.5
137.09631	6.6
139.11192	1.2
150.06770	1.0
153.09164	0.4
155.10684	1.3
161.04443	0.7
163.17537	0.4
165.12767	0.4
167.10698	1.0
167.14394	0.4
171.10188	16.6
172.10490	0.8
179.10539	1.1
183.10240	0.7
183.13820	6.5
185.11760	3.8
191.06883	0.6
193.08398	3.2
193.12323	1.9
196.93161	0.4
197.11740	0.9
201.11273	1.2
207.09959	19.0
208.10251	0.6
209.11757	0.6
211.13341	100.0
212.11954	0.3
212.13698	7.3
213.11292	1.0
219.09935	1.5
219.11972	0.4
223.09467	0.5
227.18054	0.5
235.08194	1.5
245.19020	1.5
247.20357	0.4
253.09233	4.6
273.18597	1.5
291.19647	5.2
295.16830	1.4
297.41925	0.4
309.20712	25.2
310.21127	2.7
313.17844	20.3
314.18283	1.8
331.18408	0.5
365.18201	0.8
387.25516	0.6
405.26569	0.7
421.48013	0.4
429.21176	0.5
447.22284	3.9
464.35077	0.4
479.37408	1.6
485.27155	0.5
503.28195	0.6
623.34747	1.0
641.40485	4.0
642.41217	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89992	0.4
59.01257	2.1
67.01750	0.4
69.03335	3.4
69.26698	3.0
69.27126	1.3
71.01247	1.6
83.04881	0.5
85.02830	1.4
89.02317	1.3
95.04934	0.3
97.02833	21.5
97.06461	1.8
98.19754	0.7
101.02328	1.8
107.06724	0.4
107.09800	0.4
109.06477	0.4
111.08037	1.2
113.02319	1.0
119.03365	0.4
119.08562	1.1
121.06444	0.4
125.09650	0.9
127.11170	0.4
135.08087	0.5
137.09624	5.6
139.11166	0.6
143.03442	0.4
150.06799	0.8
151.07536	1.3
152.08208	0.4
161.04372	0.5
163.07555	0.7
165.12764	0.8
167.10645	0.8
167.14340	0.7
171.10210	7.5
172.10406	0.4
177.12805	0.7
179.10559	0.9
181.12187	0.5
183.13850	5.8
184.07433	0.5
185.11769	0.9
192.82127	0.4
193.08415	4.8
193.12233	2.1
195.13799	0.4
199.13438	1.1
205.08672	0.7
207.09978	7.7
209.08179	0.5
209.15445	0.6
211.13345	100.0
212.13684	6.9
215.10481	1.0
221.11801	1.3
223.13354	0.7
233.11594	4.5
235.08218	1.8
239.12880	0.9
240.13602	0.5
253.09273	4.3
261.10989	1.8
263.16449	0.9
273.18500	0.6
287.16269	2.8
291.19614	3.7
292.19843	0.5
294.10852	0.6
304.63913	0.4
309.20718	32.2
310.21088	3.2
313.14233	1.4
313.17889	7.4
314.18121	0.6
331.15237	5.1
331.18933	7.5
332.15561	0.8
332.19269	0.9
357.26282	0.4
375.17917	1.2
387.25702	0.4
405.26453	1.1
429.21323	0.6
447.22385	3.8
460.04538	0.3
478.36255	1.1
479.37411	2.4
480.37637	0.5
497.33539	0.5
641.40698	5.7
642.41400	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	3.0
59.01246	3.4
60.28316	0.9
60.95703	1.0
62.67746	1.0
63.85022	1.0
69.03328	4.5
71.01262	1.6
71.04926	0.8
83.04900	2.0
85.02855	1.0
93.03349	3.2
98.19749	2.9
99.85410	1.0
101.02364	1.7
119.08549	11.5
121.10110	2.4
123.08047	1.3
125.09608	4.3
127.11189	1.8
135.08078	1.5
137.09613	17.1
139.11221	5.1
141.12798	1.0
147.08086	1.9
148.08853	1.5
149.09624	1.0
151.11168	1.2
155.10692	2.5
157.12263	1.1
158.74080	1.0
167.10632	3.5
167.72456	0.9
171.10185	47.1
172.10489	1.4
179.10429	2.6
183.10248	2.2
183.13837	5.8
185.11754	11.4
193.08414	7.8
193.12186	1.7
197.11699	2.7
201.11209	3.9
207.09967	81.2
208.10309	3.8
209.07956	1.6
211.13342	83.4
212.13701	4.5
213.11263	3.7
223.09454	3.7
225.11078	1.0
227.17972	2.7
229.19679	1.9
230.28992	1.2
233.11472	1.4
243.17578	1.2
245.19104	6.8
247.13194	1.3
253.09253	3.0
273.18515	4.9
291.19608	13.7
292.19989	1.4
295.16788	4.7
309.20706	100.0
310.21121	8.8
311.16196	1.2
313.17850	83.2
314.18106	7.5
327.15543	1.2
447.22208	2.6
623.37726	3.3
641.40521	9.1
642.39685	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.7
66.50436	0.2
68.08363	0.2
69.03311	0.4
69.38925	0.2
69.87154	0.5
69.87567	0.5
71.01246	1.5
73.02782	0.2
83.04897	0.2
85.02835	0.4
87.00764	0.4
89.02312	0.8
98.29162	0.2
99.00735	0.2
101.02318	1.3
113.02320	0.6
119.03374	0.4
136.16389	0.2
145.05011	0.2
152.97069	0.2
161.04469	0.6
165.12791	0.3
167.10722	0.3
167.14317	0.5
179.05473	0.2
183.13832	7.0
184.14098	0.5
193.12312	1.9
211.13341	100.0
212.13695	6.8
213.73619	0.2
221.67188	0.2
231.49576	0.2
235.08240	1.6
253.09277	4.6
254.09741	0.3
387.25403	0.6
405.26370	0.5
429.21109	0.4
447.22357	4.2
448.22812	0.3
597.32965	0.2
623.34552	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	0.2
56.03599	0.2
59.01250	1.6
61.39538	0.2
69.03322	0.3
70.90144	0.4
71.01256	1.3
71.01593	0.2
72.99181	0.2
73.02789	0.2
83.51656	0.2
85.02821	0.4
87.00733	0.3
89.02322	0.8
101.02323	1.5
113.02326	0.6
119.03360	0.4
125.02288	0.2
155.10681	0.3
161.04477	0.6
165.12779	0.3
167.10652	0.3
167.14217	0.3
167.78444	0.2
179.05470	0.2
183.13832	6.4
184.14149	0.2
193.12285	1.6
211.13335	100.0
212.13680	6.4
235.08218	1.3
253.09259	4.1
304.72534	0.2
354.76706	0.2
360.86575	0.2
387.25388	0.5
405.26358	0.5
429.21335	0.5
447.22314	3.7
447.28122	0.4
448.22617	0.4
623.34332	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41925	0.2
57.03304	0.2
59.01254	1.7
69.03315	0.4
71.01252	1.2
72.99167	0.2
73.02836	0.3
83.04908	0.3
85.02839	0.5
87.00791	0.3
89.02310	1.1
101.02333	1.3
101.04195	0.2
111.08038	0.4
113.02316	0.8
119.03378	0.4
125.02304	0.2
125.09730	0.2
131.59749	0.2
137.09613	0.4
143.03419	0.2
150.06783	0.8
155.10699	0.2
157.65898	0.2
161.04486	0.6
162.21626	0.2
163.07561	0.8
165.12680	0.2
167.10745	0.3
167.14302	0.7
179.05545	0.3
179.10721	0.3
181.12169	0.3
183.13838	6.3
184.14178	0.3
193.08417	0.5
193.12256	1.6
197.11771	0.5
199.13332	0.5
209.11812	0.3
211.13342	100.0
212.13670	5.8
212.15608	0.4
219.09995	0.6
223.13342	0.4
235.08260	1.6
245.11630	0.2
253.09261	4.1
254.09607	0.2
287.55432	0.2
309.20731	1.1
386.95798	0.2
387.25415	0.6
405.26389	0.7
429.21411	0.5
447.22424	3.5
464.35150	0.3
478.36496	1.3
479.37302	2.6
520.71729	0.2
557.71753	0.2
594.64044	0.2
623.34369	0.8
641.42999	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	21.9
57.20967	0.3
58.03655	0.5
59.01250	6.2
61.98692	0.5
65.00160	0.3
70.23167	1.6
71.01249	2.2
73.00475	0.3
73.02811	2.0
78.95772	0.5
81.03326	1.1
83.01254	1.0
85.02789	0.4
89.02307	0.4
96.95872	0.5
99.04396	22.1
99.17448	0.3
101.02326	7.3
113.02337	0.5
119.03397	0.7
123.04446	1.7
125.02333	21.4
126.02657	0.6
134.03607	0.6
140.15076	0.3
141.05490	0.4
143.03397	1.3
151.00313	0.6
158.99712	0.3
160.23270	0.4
161.04436	0.9
163.30450	0.4
166.02631	0.4
169.01241	0.4
181.05141	0.4
181.83232	0.3
193.05038	0.3
203.05598	0.6
215.03169	0.5
231.67345	0.4
280.52170	0.3
305.08856	4.0
306.09149	0.4
317.21249	5.7
318.21793	0.4
320.17883	0.3
335.22266	100.0
336.22620	11.7
349.23911	3.9
350.24142	0.3
377.23325	1.2
474.34631	0.4
497.27405	1.0
539.28931	0.4
597.33026	0.9
641.31824	8.6
642.31250	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88265	0.5
57.03328	23.3
59.01250	7.2
62.47516	0.5
69.48180	5.0
71.01248	3.6
72.99191	0.6
73.02825	2.6
73.17257	0.5
75.00747	0.7
78.95784	2.9
81.03350	0.8
83.01251	1.7
85.02818	1.4
96.95869	1.5
97.02807	0.7
99.00729	0.8
99.04399	21.9
101.02323	7.8
112.51197	0.6
113.02306	1.6
118.69113	0.6
119.04906	1.7
123.04430	1.5
124.60171	0.5
125.02339	26.5
126.02684	0.8
137.02303	0.8
143.03358	0.9
152.99466	1.7
161.04466	0.6
162.97951	0.6
163.03896	1.2
167.76854	0.5
169.01353	0.7
193.04967	0.7
201.11237	0.9
209.11720	2.5
271.02451	0.7
299.02145	1.2
305.08804	3.7
335.22272	100.0
336.22598	10.3
349.23819	3.2
377.23499	1.0
494.61108	0.6
552.72284	0.7
597.32855	0.7
603.57404	0.6
609.27014	0.8
623.28345	0.6
641.32080	7.5
642.32288	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	8.5
59.01252	25.3
59.94271	1.8
65.00172	2.0
68.99690	4.4
69.35619	11.6
69.36045	8.3
71.01254	32.5
72.99178	10.8
73.02838	2.7
75.00751	26.3
76.50910	1.9
79.48190	1.9
81.03318	2.8
83.01265	8.5
85.02821	30.0
85.27231	1.9
87.00735	9.4
89.02319	6.0
93.03349	7.3
95.01271	8.5
96.95898	1.7
99.00740	12.5
101.02317	5.0
103.00258	3.7
107.01277	3.5
108.02049	4.1
109.02821	4.7
111.00777	5.4
113.02322	31.0
115.00227	3.7
117.03288	3.6
119.04935	3.8
121.02836	7.8
122.03628	9.0
123.00820	2.9
123.04421	6.3
124.01559	4.3
125.02350	46.6
129.01770	3.6
133.02803	5.4
134.03621	5.3
135.04388	8.2
136.05194	10.9
137.02310	6.4
139.00288	4.5
143.74586	2.1
145.02852	4.2
149.00534	1.9
149.02347	14.7
149.05922	3.6
150.03140	63.9
151.00273	11.4
151.03918	18.0
153.01884	2.3
157.01338	2.0
161.02342	2.6
163.00256	4.2
164.01053	2.5
164.04686	3.5
165.01880	2.3
165.05495	51.7
166.99692	2.7
169.01326	7.7
171.04483	1.8
175.02388	4.7
175.03867	2.4
178.99747	7.6
179.03392	1.9
180.04190	4.6
181.04921	6.3
181.12282	2.2
187.03906	3.5
191.03452	3.1
195.06595	33.2
196.06789	2.3
199.03954	2.5
204.78711	2.1
215.03479	3.8
216.04207	3.3
217.05095	2.2
225.11275	2.9
227.03442	2.7
231.05168	2.3
243.02972	4.8
249.06146	28.0
255.02980	3.6
267.07233	17.2
271.02441	20.9
272.03192	3.9
283.02405	2.4
285.04166	4.4
287.01932	4.7
299.01974	24.5
300.02469	4.3
301.03568	12.1
311.05429	2.8
311.08963	2.7
313.10614	2.3
316.02295	15.5
317.02917	13.1
318.03598	2.3
328.09122	2.7
343.11682	12.8
381.53360	2.4
391.13724	3.6
421.09134	4.0
444.12732	16.9
445.12964	4.5
465.08438	12.6
479.12601	3.3
623.19696	7.8
641.20898	100.0
642.12598	2.7
642.21411	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	641.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62114	2.0
56.83225	2.2
57.03332	8.3
57.80292	1.9
59.01255	24.1
63.02277	2.6
63.70242	1.8
65.00203	5.0
69.43832	12.6
69.44244	3.3
71.01273	4.4
72.99182	1.9
73.59760	1.7
83.01259	6.6
85.02850	5.0
98.19791	3.1
99.00780	2.0
101.02351	1.6
107.01287	6.8
109.02834	4.3
111.44069	1.8
113.02325	3.6
114.46854	1.9
121.02847	3.9
123.00742	3.0
123.04271	2.0
125.02345	48.1
135.04411	5.7
137.02328	7.9
139.03918	3.1
147.00789	4.5
150.03069	1.8
151.00279	15.5
152.01027	3.5
153.01823	12.6
165.01825	8.1
167.03458	4.5
169.01315	4.3
175.00330	19.0
175.01891	1.9
175.02406	1.6
176.00877	2.6
177.01819	2.6
178.99768	16.7
179.03348	3.4
180.00208	3.2
185.02557	1.7
187.03728	1.8
191.03406	11.6
193.01358	100.0
194.01678	9.5
195.01741	3.1
212.96126	1.8
215.03409	8.4
225.05426	1.9
235.11867	5.7
257.04599	5.3
285.04004	5.1
301.03568	24.1
302.03949	7.4
303.04016	5.8
311.05701	4.4
319.04602	11.4
330.46783	1.7
393.44427	1.8
461.07336	2.6
465.08780	3.7
477.06342	2.1
501.05777	2.0
641.21106	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	641.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	8.5
59.01252	25.3
59.94271	1.8
65.00172	2.0
68.99690	4.4
69.35619	11.6
69.36045	8.3
71.01254	32.5
72.99178	10.8
73.02838	2.7
75.00751	26.3
76.50910	1.9
79.48190	1.9
81.03318	2.8
83.01265	8.5
85.02821	30.0
85.27231	1.9
87.00735	9.4
89.02319	6.0
93.03349	7.3
95.01271	8.5
96.95898	1.7
99.00740	12.5
101.02317	5.0
103.00258	3.7
107.01277	3.5
108.02049	4.1
109.02821	4.7
111.00777	5.4
113.02322	31.0
115.00227	3.7
117.03288	3.6
119.04935	3.8
121.02836	7.8
122.03628	9.0
123.00820	2.9
123.04421	6.3
124.01559	4.3
125.02350	46.6
129.01770	3.6
133.02803	5.4
134.03621	5.3
135.04388	8.2
136.05194	10.9
137.02310	6.4
139.00288	4.5
143.74586	2.1
145.02852	4.2
149.00534	1.9
149.02347	14.7
149.05922	3.6
150.03140	63.9
151.00273	11.4
151.03918	18.0
153.01884	2.3
157.01338	2.0
161.02342	2.6
163.00256	4.2
164.01053	2.5
164.04686	3.5
165.01880	2.3
165.05495	51.7
166.99692	2.7
169.01326	7.7
171.04483	1.8
175.02388	4.7
175.03867	2.4
178.99747	7.6
179.03392	1.9
180.04190	4.6
181.04921	6.3
181.12282	2.2
187.03906	3.5
191.03452	3.1
195.06595	33.2
196.06789	2.3
199.03954	2.5
204.78711	2.1
215.03479	3.8
216.04207	3.3
217.05095	2.2
225.11275	2.9
227.03442	2.7
231.05168	2.3
243.02972	4.8
249.06146	28.0
255.02980	3.6
267.07233	17.2
271.02441	20.9
272.03192	3.9
283.02405	2.4
285.04166	4.4
287.01932	4.7
299.01974	24.5
300.02469	4.3
301.03568	12.1
311.05429	2.8
311.08963	2.7
313.10614	2.3
316.02295	15.5
317.02917	13.1
318.03598	2.3
328.09122	2.7
343.11682	12.8
381.53360	2.4
391.13724	3.6
421.09134	4.0
444.12732	16.9
445.12964	4.5
465.08438	12.6
479.12601	3.3
623.19696	7.8
641.20898	100.0
642.12598	2.7
642.21411	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	641.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.8
59.01254	6.3
61.61184	0.7
61.70286	1.0
65.00192	0.8
69.26155	9.2
71.01250	6.0
72.99208	0.9
75.00745	1.8
75.38856	0.9
85.02823	7.5
87.00784	1.2
89.02329	1.0
91.01798	0.9
93.03340	3.3
95.01258	2.3
99.00736	2.7
103.00237	1.1
107.01264	1.5
109.02847	6.0
113.02338	12.4
115.00242	1.1
117.01858	1.6
117.03376	0.9
119.04936	1.1
121.02861	1.5
122.03686	1.5
123.04407	2.1
125.02364	1.8
129.01819	0.9
131.59402	0.8
133.02867	2.6
134.03618	0.8
135.04411	10.1
137.02298	1.1
145.02850	1.7
147.04433	0.8
151.00284	3.0
159.04486	1.0
161.02333	1.3
163.00241	1.6
163.07552	8.9
167.03452	1.0
169.01241	1.1
169.06514	1.0
171.04373	0.9
175.02409	5.4
177.01903	6.3
178.99770	1.3
185.05936	1.3
187.03981	1.4
189.01866	1.1
190.02550	1.1
191.03397	1.0
195.04419	0.9
195.08090	1.4
196.05246	1.1
197.06038	2.0
198.03145	1.9
199.03844	1.2
211.07616	2.8
213.05522	2.8
223.07512	0.8
224.04749	3.2
226.02644	0.9
227.03391	1.4
229.05017	2.8
237.05420	1.2
239.03476	1.0
239.07115	3.7
240.04150	0.9
241.04990	1.1
243.03052	0.9
255.06569	1.5
257.04489	2.6
265.05060	0.9
267.03043	1.2
267.06583	1.1
271.02478	1.4
283.06091	5.7
285.04044	58.5
286.04337	3.6
299.02005	1.4
301.03448	4.1
311.05600	100.0
312.05923	8.6
316.02167	2.6
317.02780	1.4
332.01688	1.1
355.04529	1.0
427.40399	0.9
456.32611	0.8
461.07266	21.3
462.07297	2.6
465.08206	9.2
466.08633	1.2
477.06375	1.4
479.08109	1.7
487.08884	10.9
641.11328	6.9
641.20593	2.1
661.94836	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	1.0
59.01251	3.8
61.02543	0.4
63.02246	1.4
65.00188	3.1
67.01752	0.5
68.99683	0.5
71.01259	5.7
71.59598	0.8
72.99170	1.9
73.02805	0.7
75.00748	3.0
81.02580	0.4
83.01258	2.8
85.02826	4.7
87.00753	1.3
89.02311	1.0
89.07858	0.4
90.69503	0.4
91.01753	0.6
93.03331	2.6
95.01243	1.4
99.00758	1.9
100.23132	0.5
103.00273	0.6
105.68515	0.4
107.01279	5.6
108.02031	0.6
109.02847	4.6
111.00746	0.7
113.02332	4.2
117.01842	0.5
119.04916	8.4
120.05212	0.6
121.02835	7.0
122.03631	0.7
123.04382	0.7
125.02346	3.3
129.01799	0.4
133.02841	1.7
135.00790	0.6
135.04431	1.2
136.05194	1.7
137.02336	0.9
139.03893	1.4
142.21107	0.6
143.04906	0.6
145.02852	1.5
149.02306	3.4
150.03136	4.4
151.00276	20.6
151.03879	1.3
152.00662	0.8
153.01846	0.7
157.06569	1.0
159.04401	0.9
161.02336	1.0
161.06007	1.5
163.00291	2.3
163.03917	1.0
164.01027	0.5
165.01826	0.5
165.05457	2.5
167.03372	0.6
169.01297	2.4
170.03697	0.5
173.05994	0.5
173.09773	0.4
174.03276	0.5
175.00287	0.8
175.02376	1.2
175.03874	1.0
177.01863	7.3
178.99800	9.8
180.00137	0.6
181.04916	0.6
183.04457	1.1
185.06020	1.8
187.03935	6.0
189.01883	1.3
190.02614	0.5
191.03496	0.6
193.01514	0.5
195.06525	2.9
201.05437	1.2
203.03383	0.4
203.07063	1.1
205.01430	2.5
211.03957	1.8
218.74306	0.5
227.03471	1.6
227.07016	1.0
228.04112	0.9
229.05011	8.5
230.41844	0.6
239.03329	0.5
240.04321	0.5
243.02971	0.9
245.04489	1.4
247.06104	4.5
249.06128	4.0
255.02870	4.8
255.06691	0.6
256.03552	0.6
257.04520	1.3
267.07214	1.7
271.02502	1.5
271.06116	2.6
273.04160	1.0
283.02545	1.4
283.06091	0.6
283.09827	0.6
285.04041	1.0
299.01767	0.7
300.02759	1.9
301.03531	100.0
302.03906	5.9
311.02408	0.6
311.05692	1.3
315.05057	1.2
316.02048	1.1
317.03110	0.9
327.05078	16.8
328.05527	0.8
343.04517	4.0
343.11761	4.2
344.04865	0.5
421.09494	3.1
444.12552	1.2
447.07123	1.1
465.08249	14.0
466.08511	1.1
477.06744	26.3
478.07156	2.8
479.08276	1.5
503.08197	1.7
623.20416	0.8
641.11267	4.0
641.20996	12.1
641.31061	0.9
642.21368	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21921	0.6
59.01259	4.2
65.00199	1.4
67.01759	0.7
69.03310	0.6
71.01249	3.5
71.46606	0.7
72.99194	1.0
73.02823	0.8
75.00735	2.4
80.17569	0.7
83.01268	1.0
85.02820	4.5
87.00757	1.4
89.02300	0.9
93.03335	5.8
95.01279	0.8
99.00716	1.1
101.02323	0.8
107.01274	3.2
108.19222	0.6
109.02847	5.4
113.02335	3.9
119.04922	8.1
121.02848	3.9
123.00789	1.0
124.01573	1.0
125.02334	5.7
133.02864	1.5
137.02274	1.0
139.03911	1.7
145.02856	1.4
147.04396	1.5
149.02359	2.2
149.04272	0.7
149.99503	1.0
151.00278	9.9
159.04512	0.9
161.02322	1.1
161.05931	0.8
163.00284	1.8
164.01001	0.7
165.05466	1.9
166.02644	1.1
168.00517	0.9
169.01314	2.9
174.03128	0.7
175.00314	1.3
175.02409	1.1
175.03928	1.2
177.01814	4.9
178.99805	4.5
181.04961	0.9
183.04393	1.0
185.05989	2.0
187.03900	2.8
189.01859	2.0
199.03798	0.9
203.03378	0.7
203.07069	0.9
213.01793	0.8
213.05394	1.2
215.03363	0.7
227.03418	1.4
229.04932	2.3
243.02908	1.7
245.04584	0.9
247.05898	0.9
253.05008	1.0
255.02942	2.5
257.04547	0.7
267.02902	1.5
269.04593	0.9
271.02429	2.0
271.06070	3.0
281.04440	1.6
283.02536	1.5
285.03809	1.3
297.04077	1.5
299.05643	1.1
300.02780	3.6
301.03534	43.9
302.03922	2.8
313.11850	1.0
315.01611	0.7
316.02057	0.6
327.05103	7.4
347.79025	0.7
349.07159	4.7
353.03165	0.7
360.06555	0.8
361.06949	1.1
377.06680	9.9
378.07153	1.1
389.07782	0.7
406.06738	1.5
421.09286	43.1
422.09744	6.0
447.07230	2.9
465.08246	100.0
466.08643	12.9
477.06708	2.4
494.43420	0.7
582.91223	0.8
597.27228	1.4
641.10870	8.8
641.29755	5.1
642.12207	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	641.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	3.2
59.01252	8.1
61.98692	2.9
71.01245	5.0
71.59992	1.2
73.02833	1.2
75.00737	2.4
81.03313	1.9
83.01279	2.7
85.02815	3.7
87.00769	1.5
89.02334	1.9
96.95877	1.6
97.02849	1.2
99.92465	11.6
101.02325	2.0
107.01283	1.7
113.02348	2.0
116.92747	100.0
117.92763	5.5
119.04926	1.1
120.70560	1.0
123.00771	3.1
124.01571	2.5
125.02345	24.6
126.02612	1.1
137.02350	1.9
140.01042	1.5
149.02397	1.7
151.00220	2.0
165.09135	14.8
168.00516	3.0
169.01355	23.8
171.10172	1.5
187.07620	1.5
188.58632	1.1
209.08136	37.2
209.11720	4.2
210.12120	1.5
211.02365	2.0
211.13411	1.4
233.08179	3.8
258.08856	1.1
263.06506	1.1
289.07285	2.0
313.05710	10.0
478.27316	1.2
479.22491	1.6
523.14569	77.1
524.07129	1.5
524.14856	10.8
587.04456	1.6
640.35071	1.4
641.27881	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	1.9
57.03315	4.1
59.01252	25.6
65.03822	4.7
69.26996	12.9
69.27414	6.8
71.01250	29.1
72.99172	3.6
73.02824	4.6
78.95786	19.0
81.03323	2.8
83.01244	4.7
83.04893	10.1
85.02820	7.8
85.06458	3.8
87.00735	9.4
89.02310	9.2
91.03866	2.2
93.03371	2.7
95.01252	2.8
95.04952	2.8
96.95883	2.3
96.96836	4.1
97.06477	5.6
99.00731	1.9
101.02322	16.4
109.06483	5.0
111.08034	8.8
113.02325	8.7
119.03360	3.1
123.04382	3.0
123.08041	3.5
125.02303	2.7
125.09605	17.1
127.11177	1.6
137.09560	4.6
143.03416	1.9
145.04929	2.8
151.11273	1.8
152.99518	10.4
161.04480	5.4
167.03400	16.1
171.10179	100.0
172.10529	6.4
179.05455	2.2
183.13860	3.1
185.11757	2.4
187.14738	2.5
205.15944	6.3
209.11786	22.3
211.13332	29.8
215.14368	10.0
221.15465	4.5
231.13857	7.9
232.14235	2.3
233.15413	40.9
233.75069	1.9
234.15958	2.4
235.08168	13.0
249.14917	48.1
250.15318	4.8
251.16463	2.7
253.09189	8.5
299.05496	1.7
304.39673	1.9
331.26370	3.0
341.24872	5.9
357.24533	2.2
359.25977	3.1
367.22769	5.5
375.25317	6.9
379.15573	2.6
385.23779	30.9
386.24084	4.6
393.26569	2.8
403.24887	62.8
404.25131	5.7
407.19324	2.7
421.25903	21.8
485.23816	4.9
495.30093	1.9
575.26672	4.7
607.29211	4.3
611.34613	2.7
621.32776	93.7
622.32898	17.7
639.33899	58.7
640.34436	15.6
651.83063	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	639.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96540	2.2
59.01237	3.9
60.02247	2.3
61.98688	5.2
71.06841	3.0
71.07160	3.2
76.95264	2.1
78.95771	7.0
89.46574	1.8
93.03328	6.9
94.19130	2.0
117.03348	26.5
119.01293	4.2
119.04923	24.1
121.02844	11.2
125.89804	2.0
128.08795	1.9
145.02864	100.0
146.03242	3.6
147.00824	3.6
149.02393	11.7
150.03113	3.7
152.99498	2.2
153.01851	3.5
163.03937	21.7
164.04652	5.6
165.01791	2.8
175.00293	18.6
176.01065	19.4
177.01648	3.2
177.05478	6.5
190.02647	41.6
190.72160	1.9
191.03427	41.4
196.03845	2.4
199.11092	2.0
201.42015	2.1
205.04991	67.8
223.06056	2.7
241.21053	1.9
269.21307	2.8
308.57571	2.6
361.23123	2.2
433.25806	13.5
460.24603	3.2
461.25238	2.7
478.25906	3.0
493.27588	12.7
518.93304	2.5
639.31689	93.8
640.32166	19.6
664.93085	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	639.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55380	0.6
59.01234	1.9
69.65760	1.7
69.66177	2.5
71.01267	2.2
72.99194	0.6
75.00744	1.4
78.95784	1.3
85.02836	2.0
89.02326	0.9
95.01296	0.8
96.95822	0.7
98.19884	1.0
99.00784	1.2
107.50883	0.7
113.02322	1.6
150.06757	0.9
151.52994	0.6
163.07639	0.9
166.48602	0.5
172.93115	0.5
211.58667	0.6
273.07059	0.7
273.98734	0.6
301.21722	100.0
302.22064	10.8
337.07748	3.8
476.35297	1.0
477.36026	2.6
558.37915	0.6
604.71179	0.7
639.30066	7.1
640.30438	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	639.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.1
57.03336	4.6
58.00478	0.8
59.01254	32.2
67.01752	1.1
69.03332	1.1
69.42624	2.0
69.43047	4.2
71.01256	23.8
72.99178	5.1
73.02821	4.6
75.00749	31.5
78.95743	0.8
83.01276	3.1
85.02825	28.8
86.03140	0.8
87.00753	9.6
87.04396	26.4
88.98669	0.7
89.02325	4.0
93.81854	0.6
95.01270	2.8
95.04922	0.6
96.95897	2.5
97.02827	0.9
98.19875	1.7
98.20563	1.1
99.00768	8.9
99.04380	0.9
101.02330	5.8
103.00211	1.1
108.72639	0.6
109.61510	0.5
111.00792	1.0
113.02334	30.3
114.02647	0.8
115.00285	3.1
116.92734	1.9
117.01810	2.1
119.03384	0.7
125.02357	5.0
129.01871	1.3
131.03384	0.8
137.02327	1.4
139.03900	0.8
143.03343	1.0
145.71951	0.6
149.02287	0.7
150.03175	0.7
151.98856	0.6
157.01360	1.4
160.01508	0.7
161.04430	1.1
165.01877	1.0
165.05511	0.6
167.03485	0.6
169.01355	1.3
173.04549	0.7
175.02386	4.1
175.03827	1.1
195.06628	1.4
209.11743	1.7
210.12209	1.1
226.05252	0.6
301.03491	0.7
307.08853	0.7
377.21942	1.1
459.27475	2.3
491.24976	1.7
493.92276	0.6
554.90546	0.7
595.26031	100.0
596.26501	15.0
639.24005	1.1
639.35187	7.8
640.35284	0.8
651.98383	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.23
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.7
59.01247	2.9
63.74214	0.2
63.88966	0.2
69.77777	0.6
69.78189	1.2
71.01260	3.1
72.99183	0.5
73.02821	0.9
75.00753	1.3
83.01250	0.7
85.02828	2.6
87.00787	0.5
89.02328	0.8
92.61700	0.2
93.03329	0.4
95.01242	0.6
96.95910	0.8
99.00767	1.0
101.02322	1.5
103.00231	0.3
108.02060	0.4
109.02834	1.0
113.02326	2.6
116.92764	0.3
117.03355	0.4
119.04934	0.7
119.22121	0.3
121.02850	1.8
123.00780	0.6
123.04435	0.5
124.01556	1.6
125.02348	7.9
126.02668	0.4
134.03667	0.3
135.04410	2.1
137.02368	1.3
139.00270	0.3
143.23636	0.3
145.02838	1.2
148.01561	0.5
149.02364	4.3
149.05995	0.6
150.03107	0.3
151.00322	0.3
151.03894	0.5
155.10674	0.5
158.45821	0.2
161.02388	0.7
161.04456	1.7
161.05821	0.4
163.03922	4.6
164.04727	4.2
165.01830	1.2
165.05437	0.3
167.03479	0.3
169.01337	0.7
175.02435	0.6
177.01868	0.5
179.03363	0.3
187.03966	0.3
189.01854	0.3
199.09613	0.3
202.99734	0.5
204.31401	0.3
225.05432	0.5
226.06300	0.3
229.08705	0.4
235.13440	0.4
238.06284	0.4
239.07036	0.4
242.05786	0.5
252.04163	0.5
253.05031	1.8
254.05887	1.5
255.03017	0.4
255.06273	0.3
257.08197	0.3
267.06808	0.4
268.07379	0.7
269.00851	0.7
269.08203	23.9
270.05334	6.8
270.08499	1.7
271.05972	1.2
281.04636	0.5
283.09665	0.4
285.07700	21.9
286.08102	1.8
289.07239	2.6
300.10028	18.6
300.40176	0.3
301.03320	0.3
301.10419	1.8
302.31644	0.3
315.12393	100.0
316.12708	9.1
330.38004	0.3
337.03735	0.4
341.06583	0.5
347.05618	1.8
353.03030	1.2
375.04944	1.4
403.04556	5.8
403.53879	0.3
404.04651	0.6
435.11035	0.9
463.06686	6.2
464.07224	1.1
466.31470	0.3
477.17676	11.8
478.18054	1.1
493.13757	0.8
565.20746	0.3
592.85126	0.3
595.32953	0.3
639.33093	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45916	0.1
50.90662	0.1
57.03315	0.4
59.01254	1.1
64.08080	0.1
65.00212	0.4
65.09934	0.1
69.03329	0.1
71.01247	0.6
71.59427	0.2
72.99176	0.2
75.00758	0.4
75.89709	0.1
81.03330	2.9
83.01264	0.7
85.02825	0.4
85.06470	0.6
87.00737	0.1
87.04391	0.5
95.01283	0.2
96.95891	0.1
97.02895	0.1
99.00780	0.2
101.02312	0.2
107.01276	0.3
107.04904	0.3
109.02889	0.1
109.06468	1.6
109.15323	0.1
111.04401	2.7
112.04733	0.1
113.02356	0.3
114.83282	0.1
115.60207	0.1
119.04941	0.2
120.93324	0.1
121.02895	0.2
124.01542	0.2
125.02341	5.0
126.02685	0.2
127.07542	0.5
133.06490	1.0
134.03650	0.1
134.95615	0.1
135.04442	0.2
136.05186	0.6
137.02368	0.2
149.02348	0.5
151.00299	0.7
151.07558	20.3
152.00993	0.1
152.07910	0.9
153.05499	0.3
163.03925	0.3
165.01808	0.1
167.03497	0.2
168.00587	0.2
169.01343	2.3
177.05452	1.2
191.07028	0.3
193.04935	0.1
195.06563	100.0
196.06908	5.4
219.06602	0.4
229.31030	0.1
237.07529	0.6
270.22504	0.1
321.12762	0.1
331.06674	0.1
357.11920	7.9
358.11993	0.7
445.09933	0.4
463.11389	0.2
463.25690	0.3
535.27203	0.3
639.17944	0.2
639.29224	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	4.1
59.01251	23.8
65.00210	6.4
65.74199	2.4
66.48192	2.6
69.03342	3.0
69.85648	8.1
69.86062	9.1
71.01250	30.4
72.99184	9.2
73.02835	3.0
75.00752	28.6
83.01262	5.1
83.04910	3.1
85.02830	30.5
87.00751	11.6
88.97330	3.0
89.02327	8.0
93.03328	21.3
95.01286	8.7
99.00771	14.7
103.00248	5.8
107.01290	11.6
108.36014	2.6
109.02873	3.0
111.00775	4.6
111.04383	7.5
113.02325	28.9
117.01849	4.5
117.03347	6.4
119.04914	44.7
120.05311	4.0
121.02847	21.2
122.03651	6.0
123.00745	4.8
123.04405	8.5
125.02361	10.1
133.02831	4.3
134.03627	44.2
135.04393	6.8
136.01590	3.0
137.02354	14.6
139.00317	4.0
139.03908	2.7
145.02853	9.1
149.02325	16.3
149.05989	11.2
150.03120	43.4
151.00282	47.3
151.03886	18.1
155.03394	10.6
160.01598	7.4
161.02336	4.9
161.06026	8.3
163.03906	39.9
164.04759	3.4
165.05484	31.0
167.03455	3.4
169.01360	12.9
175.03932	10.4
177.01805	4.5
178.02708	9.4
178.99774	21.5
179.03334	3.4
181.04984	11.7
193.04984	29.5
195.06570	6.3
214.43768	2.9
239.07066	3.3
248.68829	3.0
249.06114	38.6
249.08461	3.1
267.07077	7.9
301.03497	86.3
302.04083	4.6
313.05435	3.3
319.08289	23.8
327.08832	14.1
327.12384	3.4
341.10367	6.6
381.11804	6.6
417.32446	3.0
425.10394	4.0
439.12894	3.8
442.11356	7.5
443.12103	10.9
463.08789	44.8
464.09039	9.4
477.10687	8.0
591.17206	3.2
607.16827	3.1
639.19519	100.0
640.19934	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	639.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	10.4
57.39642	3.5
59.01250	80.6
65.00204	5.9
70.86224	11.5
71.01263	8.0
73.02827	10.1
83.01260	10.3
85.02811	5.2
101.02320	10.5
123.00745	5.7
123.04403	7.1
125.02341	100.0
137.02380	4.6
137.98778	3.5
149.02361	4.5
150.03224	4.4
151.00291	14.1
151.03877	6.7
152.01082	4.4
153.01826	12.9
161.04486	7.2
169.01385	5.8
174.03026	4.0
175.03946	15.1
177.01834	28.9
178.99794	8.9
181.01247	4.1
199.03928	8.1
199.72737	4.7
203.31683	4.3
217.04980	10.4
243.02939	4.3
249.13397	12.5
285.03995	63.6
286.04312	5.0
291.14340	5.1
292.06223	4.7
303.05130	53.1
358.67789	3.7
385.02432	5.1
549.45410	4.4
639.15375	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	639.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.0
55.70521	1.2
56.63185	1.3
57.03323	4.4
57.38159	1.2
57.85934	1.6
58.99649	1.2
59.01251	19.2
61.24443	1.2
63.00821	1.2
63.02267	2.5
65.00201	5.4
67.01763	1.4
68.99699	3.4
69.03349	1.7
70.27360	5.3
70.27715	1.9
71.01252	27.0
72.99177	8.5
73.02837	3.8
73.49518	1.2
75.00751	21.8
81.03333	2.6
83.01258	5.3
83.04908	2.3
85.02827	23.9
85.03297	2.1
87.00764	7.8
89.02322	6.8
91.03918	1.5
93.03340	27.1
95.01274	6.9
96.91621	1.5
99.00756	14.3
99.01221	1.3
99.77589	1.4
103.00271	3.5
107.01275	14.8
109.02858	2.8
111.00736	2.9
111.04424	4.3
113.02328	23.4
115.00294	3.0
117.01828	2.2
117.03356	4.8
119.04920	48.3
120.05277	2.4
121.02847	16.9
122.03646	4.5
123.04427	5.6
124.01525	1.5
125.02354	8.7
129.01842	2.9
132.02066	1.6
133.02866	3.8
133.14658	1.4
134.03641	45.4
135.04427	5.1
137.02341	14.9
139.00403	1.7
145.02890	8.8
147.04433	1.9
148.05211	2.0
149.02359	12.9
149.06000	8.3
150.03140	44.4
150.04323	2.4
151.00281	51.4
151.03944	11.2
152.00568	2.0
155.03441	10.0
157.01414	1.7
159.04419	1.5
160.01570	7.6
161.02361	4.3
161.06006	3.2
163.00320	1.4
163.03920	44.7
164.04655	2.9
165.05504	30.1
166.02705	2.0
166.05814	1.6
167.03410	1.7
169.01346	10.7
173.04477	1.9
175.02409	4.5
175.03976	9.5
178.02657	5.0
178.99779	21.8
179.03441	2.2
179.07047	2.1
180.00197	2.0
180.04312	2.2
181.05013	11.5
193.04988	27.2
194.05489	1.6
195.06512	7.8
205.05026	1.6
223.07770	1.4
231.05096	2.4
237.09244	1.6
239.07167	2.4
245.04457	2.4
249.06148	33.2
249.08553	2.4
250.06432	2.9
253.07092	2.1
255.03098	3.0
267.07239	7.8
271.02615	2.4
273.04135	3.2
282.09021	3.1
300.02725	3.3
301.03552	91.0
302.03925	5.6
309.07733	1.6
313.05655	4.1
319.08194	35.2
319.11658	2.3
320.08548	3.0
327.08817	10.0
341.10416	4.7
345.11090	1.3
377.91403	1.5
381.11911	4.4
390.99893	1.5
425.10992	3.6
435.16656	2.4
442.11108	9.2
443.12045	11.6
457.13647	2.9
463.08847	53.7
464.08994	6.9
477.11359	9.7
591.16852	1.8
607.17596	1.8
621.18219	4.0
639.19543	100.0
640.20074	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	639.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	11.1
59.01249	80.1
64.79137	3.9
65.00181	4.2
67.14008	3.2
69.30861	37.8
71.01254	9.7
73.02818	5.5
76.32954	3.9
83.01263	11.1
85.02840	5.3
98.20494	7.0
101.02331	10.5
103.45860	3.4
108.02103	3.1
109.02824	5.7
113.02304	4.8
118.37941	3.4
123.04426	4.9
125.02328	100.0
149.02321	6.4
151.00272	8.3
151.03889	8.2
152.01059	7.9
153.01836	13.8
167.03395	6.2
169.01419	3.4
175.03932	15.2
177.01868	26.1
178.62103	3.3
178.99785	12.2
181.01389	5.6
183.87321	3.1
193.05014	4.4
199.03928	8.6
217.05008	13.5
241.05011	9.5
249.13397	14.1
259.05984	3.7
275.05719	6.7
279.05371	3.7
285.04004	69.1
286.04517	6.4
291.14392	4.3
303.05087	47.5
527.42999	3.8
639.14893	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1357
Annotation	Quercetin 3-(6''-ferulylglucoside)
Peak:m/z	Relative Intensity
55.01761	0.6
56.36951	0.5
57.03325	1.5
59.01249	12.4
63.02278	1.0
65.00205	1.6
71.01262	7.6
71.59129	1.1
72.56618	0.5
72.99170	1.2
74.02336	3.9
82.40206	0.5
83.01279	2.1
85.02825	4.4
87.00758	1.8
87.12532	0.5
89.02303	3.3
93.03350	1.3
95.01237	1.3
96.95908	1.1
99.00787	1.5
99.04397	2.3
101.02329	3.7
107.01256	4.5
108.02070	1.6
109.02856	2.3
111.00751	0.9
113.02356	3.1
116.92732	2.5
119.03357	0.9
119.04906	1.2
121.02852	2.8
123.00787	0.6
125.02335	5.4
133.02841	1.2
134.03629	1.1
134.98470	0.5
135.00780	1.0
135.04419	1.6
137.02318	0.9
148.01620	2.3
149.02359	1.1
150.03146	1.5
151.00278	13.0
151.03900	2.5
152.01064	0.7
153.01848	1.0
159.04417	0.7
159.26741	0.6
160.01579	1.6
161.02333	4.1
162.03046	0.6
163.00330	3.0
163.03922	1.3
164.01048	1.6
165.01880	1.1
165.05548	0.9
167.03262	0.7
169.01331	4.5
171.04329	0.6
175.03922	2.3
177.01857	0.6
177.05327	0.7
178.99797	6.6
179.03415	0.8
187.03967	0.6
192.00581	0.7
199.03998	1.8
203.03427	1.4
211.03926	1.7
213.02065	0.6
215.03381	1.3
218.05753	0.9
219.06500	0.7
226.02655	1.9
227.03432	4.4
228.03874	0.7
233.08156	0.9
235.13290	2.0
239.43094	0.6
243.02962	14.5
244.03508	1.1
245.04498	2.1
246.04932	0.5
247.93755	0.6
253.14337	1.0
254.02203	2.5
255.02959	30.1
256.03448	2.8
267.07404	1.0
271.02466	64.0
272.02994	5.8
273.03983	1.3
283.02460	1.3
289.07010	0.8
299.02026	3.2
300.02725	100.0
301.03458	53.7
302.03909	3.4
314.04315	1.4
315.05234	5.3
316.05481	0.7
323.07663	2.1
353.03009	0.6
417.15594	1.3
459.27225	1.7
462.26987	2.0
463.08820	50.5
463.27283	2.0
464.09088	5.3
477.10416	2.6
483.09332	0.6
520.68317	0.7
638.30536	1.8
639.13452	48.9
639.33923	12.5
640.13892	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	639.1202
Annotation	Quercetin 3-glucosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
52.16160	1.5
52.56835	1.4
55.68763	1.4
59.01265	2.3
65.00195	2.9
68.69491	1.8
69.33944	4.4
69.34360	12.1
71.01231	3.2
80.02352	1.7
83.01278	1.9
85.02843	1.7
98.19730	3.7
107.01292	4.8
121.02824	3.3
125.02329	4.5
137.02362	2.0
149.02351	1.9
149.36748	1.8
151.00281	19.2
154.36105	1.8
161.85390	1.8
169.01346	3.6
170.77794	1.5
175.00342	3.6
178.99869	7.9
179.01341	1.6
242.75604	1.8
271.02493	3.0
300.02740	7.6
301.03510	100.0
302.03845	5.4
343.04492	2.9
363.08423	1.9
451.06888	2.7
463.08810	64.6
464.09070	4.0
601.97192	2.2
639.11938	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	639.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55149	0.4
57.03320	1.5
59.01256	2.9
63.02277	2.2
65.00206	3.8
69.57351	2.9
69.76609	0.3
71.01250	6.4
72.99196	0.6
75.00739	1.2
83.01254	3.2
84.87070	0.4
85.02831	3.3
85.04404	0.3
87.00748	0.8
89.02335	0.6
93.03355	1.0
95.01251	1.3
98.87159	0.4
99.00762	1.2
103.00253	1.4
107.01276	9.9
108.49869	0.4
109.02843	1.3
111.00742	0.4
113.02328	5.5
117.01874	0.7
119.04926	0.6
121.02847	7.9
124.01501	0.7
125.02345	4.4
137.02377	0.4
139.03883	0.8
147.00789	0.5
149.02370	1.3
150.03119	0.5
151.00288	38.2
152.00703	1.2
153.01837	0.9
155.03578	0.4
161.02382	0.6
163.00299	1.4
163.03951	1.1
164.01003	1.0
165.01869	1.2
165.05524	0.6
167.03458	0.6
169.01331	2.2
175.00264	2.1
175.02422	3.0
178.99796	19.3
180.00122	0.7
181.04912	0.5
187.03992	0.6
189.86040	0.4
191.03413	1.4
192.00584	0.5
193.01379	13.5
194.01662	0.6
205.04845	0.4
211.03906	0.4
215.03552	0.7
227.03519	1.0
227.89043	0.4
229.05048	0.6
245.04517	1.0
254.02278	0.4
255.02934	1.6
257.04568	1.6
271.02472	1.3
273.03973	2.3
283.02518	0.5
300.02783	8.7
301.03534	100.0
302.03867	6.8
312.31854	0.5
319.04623	1.4
349.04706	0.4
382.42548	0.4
463.08826	14.4
464.08984	1.5
477.06726	19.2
478.06992	1.7
639.11572	9.1
640.12445	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01737	0.7
57.03316	2.0
59.01251	11.6
68.99671	0.7
69.54093	4.1
69.54504	1.5
71.01252	12.2
72.99181	2.8
75.00749	6.4
76.76951	0.6
83.01247	1.4
84.68976	0.6
85.02827	13.1
87.00746	2.7
89.02320	2.6
92.65611	0.6
93.03359	0.9
95.01277	2.4
96.95904	0.9
97.02808	0.7
98.20576	1.1
99.00766	4.9
99.04401	0.9
101.02340	2.0
101.29651	0.6
102.16851	0.6
103.00252	3.0
104.59020	0.6
109.02866	1.1
113.02332	15.0
114.30511	0.6
115.00251	1.4
117.01836	0.9
119.04883	0.9
121.02826	0.8
123.04356	1.2
125.02324	4.2
129.01840	1.2
137.02330	1.3
139.00214	1.0
147.04294	0.6
149.02269	0.7
151.00264	1.2
154.48471	0.6
161.02338	1.2
165.05524	1.2
166.02583	0.7
169.01332	2.4
169.02788	0.7
174.03101	1.6
175.00311	0.8
175.01045	0.8
175.02385	5.1
175.03784	0.8
177.01910	1.7
179.05432	0.6
181.05008	0.7
187.03944	1.4
189.05396	0.7
190.02625	0.7
191.03488	0.9
193.03462	0.6
202.99785	2.0
205.01340	0.7
205.05017	1.0
214.02669	4.1
215.03381	1.1
216.04323	0.9
223.75935	0.6
225.01878	2.7
226.02629	0.7
227.03452	0.9
229.01491	0.9
235.13387	2.2
241.05019	3.2
242.02141	2.6
243.02919	2.7
245.04601	0.7
253.04930	0.9
255.03134	0.7
255.06560	2.1
257.08191	1.3
269.00906	17.8
269.03842	1.3
270.01437	2.3
271.06012	2.1
282.01697	2.4
283.02588	0.8
284.02969	0.7
285.03961	2.0
286.08557	1.2
297.04019	1.3
301.04684	0.9
301.10785	2.3
303.06638	1.5
309.04031	1.1
314.05865	0.8
317.04532	0.9
319.06131	2.5
329.04517	2.4
330.05344	3.3
331.06161	4.0
337.03491	2.6
345.04031	1.8
347.05588	21.5
348.05966	1.7
358.04739	0.9
359.05548	8.9
360.06091	0.9
374.04465	1.2
375.05084	21.4
375.09744	1.1
376.05258	2.6
377.06638	2.5
391.08255	1.0
401.06537	2.5
403.04565	100.0
404.04855	10.9
419.07465	2.8
459.27512	2.4
463.06711	33.3
464.06924	3.3
535.18188	6.5
579.08276	1.5
579.16638	1.4
639.09698	2.5
639.19757	4.9
639.35040	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	637.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88938	0.5
55.89229	0.5
64.77878	0.6
70.15112	2.7
78.95775	100.0
83.04869	1.1
91.02247	0.8
96.96838	8.7
98.46945	0.6
110.78634	0.6
119.19392	0.6
127.11191	1.1
134.98381	1.2
150.97932	0.8
152.99489	55.3
153.99826	1.2
163.11205	1.2
201.11259	12.7
202.11545	1.1
209.11760	21.3
209.13754	1.1
227.12956	3.4
245.14050	0.7
255.23264	77.4
256.23636	6.3
337.10117	0.9
363.12119	5.7
381.13187	5.4
391.22562	14.4
392.22964	1.3
399.14407	0.7
409.23639	6.7
593.34564	3.4
619.36127	24.7
620.36523	4.5
637.37158	32.3
638.37598	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	639.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.6
59.01252	10.2
60.34882	0.6
69.25796	6.6
71.01257	10.6
72.99175	2.0
73.02820	1.1
75.00751	4.9
83.01268	0.8
85.02827	10.5
86.03106	0.7
87.00738	2.0
89.02312	1.9
93.03320	0.8
95.01247	3.4
96.95893	0.7
99.00759	3.9
99.04362	1.0
101.02329	1.6
103.00248	2.3
109.94624	0.6
111.97726	0.5
113.02329	15.4
114.02619	0.7
115.00233	1.5
117.01838	1.0
121.02836	0.9
123.00809	0.7
125.02321	3.5
129.01801	1.0
133.02873	0.6
137.02336	1.9
145.02849	0.7
150.03128	0.7
151.00375	0.7
156.39583	0.5
161.02338	0.7
163.03978	0.8
169.01344	1.8
170.90492	0.6
173.02359	0.6
174.03120	1.5
175.02443	5.0
175.03812	0.9
177.01863	1.8
183.13902	0.6
185.02441	0.8
187.03944	0.9
193.03391	1.2
199.03992	0.9
202.99829	0.9
205.01367	0.8
206.84880	0.5
213.02092	0.6
214.02681	4.1
215.03188	0.7
225.01825	2.1
226.02718	0.7
227.03470	0.9
229.01381	0.6
235.13374	1.8
241.05035	2.1
242.02165	2.1
243.02933	1.7
253.05028	0.7
255.06673	0.6
257.08185	0.7
267.02988	0.6
269.00906	16.3
269.04047	1.1
270.01550	1.6
271.05960	1.5
281.04520	0.8
282.01608	1.5
283.02423	1.1
285.03754	2.7
286.08450	1.2
293.04492	0.8
297.04254	1.0
301.03220	0.7
301.10889	1.6
302.24860	0.6
303.06659	1.4
315.06506	0.6
317.04459	0.7
319.06061	1.8
329.04419	1.9
330.05295	2.7
331.06213	3.2
337.03433	1.9
347.05585	20.6
348.05917	2.7
352.62772	0.6
357.03976	1.0
358.04745	1.9
359.05591	8.2
360.05847	0.8
374.04300	0.9
375.05066	21.1
376.05426	2.2
377.06546	2.6
391.08258	1.0
401.06650	2.5
403.04568	100.0
404.04929	11.8
419.07849	3.1
459.27542	1.5
463.06714	28.2
464.06750	2.9
535.18140	2.3
579.07727	2.0
579.16229	0.9
639.09674	2.0
639.19952	3.1
639.32764	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	637.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.2
57.03316	1.9
58.00446	0.6
59.01250	13.0
61.98685	0.7
65.03835	3.1
67.70384	0.5
69.03327	2.2
69.38300	1.8
69.38724	3.6
71.01253	14.2
71.04893	0.7
72.99184	1.7
73.02824	3.1
74.61862	0.5
78.95766	0.8
79.74801	0.6
81.03323	1.6
83.01247	2.3
83.04884	2.1
85.02821	5.3
87.00761	4.9
89.02316	5.4
91.05399	2.0
93.03334	1.2
95.01262	1.6
95.04884	1.7
97.02823	1.2
97.06461	3.7
98.20567	1.1
99.00762	1.6
101.02326	9.8
105.07001	0.8
107.04906	1.0
109.06460	1.6
111.08059	1.3
111.48856	0.5
113.02334	5.0
115.05391	3.1
117.07017	1.1
119.03385	1.3
119.04908	0.7
119.08606	0.9
121.02863	0.7
121.06434	0.8
123.04395	0.5
123.08006	1.1
125.02324	2.4
125.09607	12.5
129.01823	0.7
133.10144	1.1
135.08054	2.1
145.04968	2.2
146.07362	0.5
161.04482	2.1
163.11198	1.4
171.10185	6.7
175.11186	0.8
177.12775	0.7
185.09767	1.1
185.11745	5.7
185.13237	1.3
187.09666	2.5
187.14861	5.9
191.10693	1.4
195.11751	1.2
197.11877	0.7
203.14340	1.4
207.10173	1.0
209.11772	28.2
210.12096	2.4
211.11433	0.6
213.12791	8.0
215.10722	1.0
217.12230	0.7
223.13268	0.7
227.14441	0.7
231.13866	16.4
232.14134	0.9
233.11760	2.4
235.08182	4.7
235.13295	2.5
236.73317	0.6
247.13351	2.5
249.03268	0.6
249.14838	2.3
253.09286	2.6
257.11621	0.8
257.55798	0.7
261.14938	0.9
273.14761	0.6
285.14911	1.0
289.14615	0.7
313.18091	0.7
329.17047	0.6
329.24817	1.7
331.19089	1.5
339.23318	2.8
355.22873	1.1
357.24240	1.9
365.21136	2.0
373.23709	3.2
375.21313	0.7
383.22260	16.7
384.22736	1.2
391.24841	1.6
401.23303	19.3
401.28549	1.0
402.23627	2.1
419.24344	5.2
457.26202	0.8
529.29718	0.6
609.32672	1.6
619.31213	100.0
620.31561	16.4
637.32373	19.3
638.32196	3.9
649.34869	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30866	1.9
56.06230	1.7
58.02852	16.8
59.01247	3.6
69.44032	15.3
70.02853	4.0
70.92146	1.7
71.01235	1.9
72.00784	2.2
72.99171	1.6
85.02828	2.7
100.56297	1.6
113.02345	3.2
123.04413	2.2
125.02339	3.6
135.04376	2.1
135.57585	1.6
143.01855	1.6
143.88295	1.9
147.04399	17.4
150.03134	2.1
164.07083	45.8
165.04080	1.6
165.05464	4.7
165.07454	3.0
169.01320	1.8
180.04259	1.9
188.11165	1.9
193.38916	1.6
196.71339	1.5
206.08165	100.0
207.08476	4.4
250.07259	1.7
257.96149	1.6
301.03537	4.7
313.14325	1.7
636.17053	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	636.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25184	0.5
59.01252	100.0
60.01588	0.9
62.80754	0.4
65.46340	0.5
71.57793	0.5
71.58190	0.5
73.09785	0.5
78.95783	1.8
90.10164	0.6
109.65884	0.4
141.01599	73.8
142.01900	1.1
231.86057	0.5
255.23291	3.5
480.30713	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	637.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27983	0.7
53.76939	0.7
59.01251	100.0
60.01600	1.0
63.89277	0.8
71.01234	1.0
71.57701	1.4
72.85656	0.7
78.95771	1.5
96.95881	0.7
99.28421	0.7
113.02329	0.9
123.00787	2.3
123.04473	0.8
125.02322	3.3
139.00316	1.2
151.00215	1.0
163.03911	8.4
167.03459	1.5
168.00642	0.9
169.01326	3.1
170.01698	1.1
178.06294	9.2
179.06639	1.1
193.08640	17.0
231.30188	0.6
389.93076	0.7
636.30884	3.4
637.31287	14.0
638.32190	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65552	1.7
52.52470	1.7
52.54689	1.9
53.54947	1.9
55.04573	1.8
58.43486	2.3
59.01252	100.0
71.57670	3.7
78.95766	15.2
81.49072	1.8
96.95906	2.0
121.02821	5.0
152.99501	7.4
161.88170	1.9
169.01309	3.8
171.10184	5.2
259.80624	2.2
307.09735	2.7
443.03464	2.1
471.05884	3.5
491.59973	2.4
497.29123	48.6
498.29480	8.8
515.30060	4.9
575.32263	2.9
635.30988	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	635.357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73958	0.9
59.01233	1.2
59.93044	0.8
63.15539	0.8
78.95778	93.0
82.40020	0.8
83.04886	1.1
87.55012	0.9
91.35610	0.9
96.96848	8.7
120.77847	0.8
127.11174	1.9
150.97908	2.3
152.99490	100.0
153.99825	1.2
160.71632	0.9
171.00563	3.4
171.10127	1.3
201.11282	14.8
209.11768	20.2
210.12027	1.1
227.12834	2.1
231.66756	1.0
349.07962	1.0
355.11642	3.5
363.12057	9.6
381.13187	34.9
382.13480	1.9
399.14215	43.3
400.14581	2.3
419.38666	0.9
617.34436	5.3
635.35535	13.1
636.36414	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	635.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	4.4
61.35328	0.7
67.01740	1.0
69.03327	0.7
71.01263	4.2
71.44688	1.0
72.99181	1.3
73.02798	1.3
78.95771	2.6
79.01749	1.2
83.01256	0.8
85.02804	1.3
85.80330	0.6
95.01241	2.0
99.00694	0.7
101.02335	1.3
107.01289	3.7
111.00764	4.1
113.02325	1.3
123.00039	0.8
123.00788	10.7
124.01521	2.7
125.02348	21.2
127.00285	1.3
136.98697	2.4
139.00273	6.2
140.01085	7.2
141.01782	2.0
151.00314	6.9
152.99518	0.8
153.01865	0.7
167.03343	1.0
168.00577	15.5
169.01347	27.3
170.01617	0.7
177.03967	1.2
181.01361	0.9
211.02435	13.5
260.38290	0.6
271.04636	6.1
313.05566	0.9
329.04901	0.7
345.69370	0.6
399.12881	1.9
437.79623	0.7
483.07574	1.6
533.27850	0.7
618.79370	0.8
635.30609	100.0
636.31024	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	635.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97506	1.3
57.03312	1.3
59.01237	4.7
69.43796	10.3
69.97102	1.2
71.01247	3.3
75.00747	1.7
75.72285	1.5
80.00633	1.4
85.02836	4.6
87.00751	1.4
89.02314	2.2
93.07338	1.4
94.06541	1.6
96.95863	8.2
101.34616	1.4
108.04428	2.1
110.05988	1.6
113.44431	1.5
116.79305	1.3
122.06005	4.6
124.07555	1.9
125.02340	3.5
134.06018	7.3
136.07584	3.1
139.06236	1.6
140.07077	9.6
146.06023	10.1
149.04707	2.5
150.05507	1.4
151.03928	1.4
156.57915	1.5
162.05511	4.8
164.03398	3.2
164.07108	6.7
164.75362	1.2
167.05688	1.9
168.00586	1.5
169.01320	1.9
179.05721	2.4
212.10757	5.8
213.10164	2.1
215.11777	1.8
222.57718	1.3
226.07417	5.9
226.12358	13.2
227.08218	33.1
227.11705	2.6
228.08780	1.8
239.08279	3.8
240.08910	6.4
241.09799	36.7
242.10477	10.0
243.11279	4.2
253.09816	3.7
254.10510	4.6
255.11380	24.0
256.11594	2.3
259.10931	2.5
261.12512	1.4
267.07239	2.0
269.12933	42.1
270.10193	2.3
270.13422	5.8
271.10867	3.4
271.14462	5.8
273.12408	2.9
285.12418	5.3
286.09543	2.3
301.11984	7.8
303.13513	16.1
313.11890	15.4
314.12595	10.4
315.13406	13.2
316.13846	1.5
331.06720	2.2
366.14398	2.8
380.16248	4.8
381.16934	2.3
394.17648	4.9
408.15625	4.4
452.18243	2.2
453.18961	22.5
454.19818	6.1
575.25092	36.2
576.25232	5.5
589.26892	1.8
591.26514	2.0
599.25183	3.2
617.26123	100.0
618.26379	16.2
635.27362	21.5
636.27429	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	635.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82590	0.9
50.97706	0.9
55.01753	1.2
57.03319	4.2
58.00486	1.1
58.74767	0.9
59.01252	30.3
62.02948	0.9
62.49536	0.9
65.41576	1.1
70.29521	4.1
71.01255	23.0
72.99174	5.3
73.02822	6.6
75.00746	29.7
75.74690	0.9
83.01251	3.2
85.02828	24.6
87.00754	8.7
89.02313	5.3
95.01267	3.7
96.95863	2.5
97.02830	1.7
99.00764	8.3
101.02341	8.5
113.02331	26.8
115.00233	3.2
117.01908	1.1
125.02311	3.2
131.03394	2.9
153.51169	0.9
153.56261	1.0
173.04442	4.4
175.02411	3.9
312.52899	1.1
330.04547	1.1
483.12766	1.3
532.59326	1.1
591.26605	100.0
592.26923	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	635.255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64429	0.9
55.01763	2.1
57.03328	6.1
59.01257	29.1
59.77883	0.9
69.03334	1.0
69.26029	3.7
69.26453	6.8
71.01257	22.8
72.99194	5.4
73.02816	3.6
75.00747	26.9
83.01261	3.1
85.02823	28.5
87.00750	7.2
89.02320	2.2
95.01260	3.8
96.95889	10.2
97.02824	1.6
99.00759	9.6
99.30287	0.8
101.02338	6.0
109.02843	1.7
111.00766	1.6
113.02334	32.3
115.00234	1.9
117.01822	1.0
119.04900	1.1
123.04387	1.7
125.02347	8.4
134.06038	1.2
135.04375	1.3
137.02365	2.2
142.96648	0.9
148.07472	0.9
149.02379	1.2
151.03925	1.4
161.04483	2.1
165.05511	1.2
169.01303	6.8
175.02406	4.2
175.03844	1.2
177.01849	1.7
180.04260	1.0
193.05016	1.0
231.93507	1.0
241.09746	2.5
255.11232	1.9
269.12976	2.2
289.07196	3.2
313.11935	1.5
316.83447	1.0
373.22052	1.1
441.08502	1.0
575.25403	0.9
591.26581	100.0
592.26947	11.5
617.25916	6.2
618.26208	1.6
635.27295	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	100.0
58.03669	1.9
59.01247	2.9
61.57076	0.6
70.55161	1.1
70.55543	1.0
70.85510	0.6
71.01261	1.2
75.00748	1.3
81.03328	8.1
82.27270	0.5
85.02848	1.7
85.96027	0.5
87.00758	0.7
88.90166	0.5
96.95888	0.7
99.00775	0.6
99.04397	22.1
101.02327	21.5
102.02703	0.9
109.02847	3.6
113.02358	0.9
123.00777	0.7
123.04414	0.7
124.01544	0.5
125.02311	2.7
133.93472	0.5
137.02339	6.1
149.02344	1.0
150.03186	0.9
151.00282	4.2
151.03961	1.9
164.04762	0.6
166.02625	15.7
167.03337	1.1
175.04053	0.6
177.01901	1.0
179.03470	1.5
181.04984	20.8
182.05406	1.1
187.04034	0.6
188.49438	0.6
190.02702	0.6
192.04152	0.9
193.05078	0.5
205.05067	1.1
215.19870	0.5
220.07272	0.5
235.09814	0.8
307.75754	0.5
387.10971	1.3
388.10486	0.6
402.13284	1.0
407.29169	0.5
417.15530	12.9
418.15829	1.5
461.14597	0.8
473.18530	1.5
491.19217	7.2
492.19678	1.2
503.15543	0.9
519.19055	1.4
533.20209	9.4
533.27740	0.7
534.20605	1.3
543.19623	1.7
558.21039	0.8
573.23492	15.3
574.23938	2.6
591.26959	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	2.2
60.99178	15.9
62.14684	0.7
71.01228	1.7
78.95808	0.8
88.98679	100.0
89.99021	0.9
93.03373	0.8
96.95902	1.5
98.20588	1.6
101.02338	0.8
113.02343	0.9
123.00760	1.1
125.02330	3.2
158.45818	0.7
169.01306	3.9
178.99799	0.9
182.81178	0.7
193.01442	0.9
239.03435	2.4
250.94177	1.3
254.05843	1.4
267.06790	1.8
271.04639	0.9
282.05319	6.6
297.07663	13.3
298.08075	1.3
404.30914	0.7
439.08609	0.9
460.11041	0.6
468.94916	0.7
483.07678	2.0
483.18729	4.1
635.35382	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
63.11884	0.5
69.03316	0.9
71.01255	0.8
71.31090	1.0
76.09967	0.5
95.01261	0.8
95.84034	0.5
97.02834	0.9
107.01276	3.3
119.74181	0.4
120.86267	0.4
120.87299	0.5
123.00753	2.0
124.01553	1.5
125.02335	100.0
126.02692	2.4
138.03055	0.4
139.00256	0.6
140.01056	0.7
151.00282	2.0
167.03427	0.5
168.00566	5.3
169.01337	85.1
170.01680	3.0
194.99297	2.5
208.31703	0.5
211.02460	1.2
224.61099	0.5
253.03448	0.6
271.04541	2.3
287.07724	12.0
288.07990	1.0
313.05661	11.3
320.78937	0.5
331.06693	26.4
332.07101	1.4
439.08798	45.1
440.09140	4.3
465.06662	8.3
466.07480	0.9
483.07782	44.6
484.08273	4.7
596.57782	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85393	0.2
59.01256	1.0
63.02256	1.0
65.00189	0.9
67.01748	0.3
68.99706	0.4
69.03325	0.6
70.40073	0.7
70.40450	0.5
71.01259	1.5
81.03346	0.3
83.01247	1.3
84.54745	0.2
85.02840	0.3
89.02289	0.3
95.01263	0.5
97.02814	0.6
101.02288	0.4
107.01272	4.7
109.02843	1.7
111.00735	0.7
113.02300	0.6
123.00756	3.5
124.01566	1.2
125.02335	31.4
126.02662	0.8
127.00267	0.4
136.98701	0.4
137.02319	2.1
139.00241	1.1
139.03925	0.4
140.01065	1.1
141.01889	0.4
149.02277	0.3
151.00278	7.3
151.01494	0.4
152.00981	0.3
153.01729	0.6
159.04399	0.3
161.02429	0.3
163.00291	0.4
165.01903	1.5
167.03438	0.8
168.00552	5.5
169.01334	47.9
170.01689	1.6
171.04378	0.3
175.03883	0.7
176.71713	0.3
178.99771	7.3
180.00197	0.5
183.02905	0.8
187.03888	0.6
191.03348	0.3
193.01331	1.0
199.03957	0.6
203.03412	0.6
205.01428	0.3
211.02419	22.3
212.02740	0.9
213.01920	0.3
215.03415	0.4
215.69154	0.3
227.03433	1.0
229.01167	0.3
230.02138	0.4
231.02950	1.1
233.04469	0.3
241.03450	2.5
243.02925	0.9
253.03458	0.4
255.02943	0.6
259.02414	0.7
260.03204	0.7
261.03912	0.7
271.04599	32.4
272.04974	2.2
273.04034	0.6
283.02448	0.4
287.02112	0.4
299.01926	0.9
311.01956	0.6
313.05634	9.1
314.05951	0.9
315.01385	1.1
317.03000	12.0
318.03360	1.0
327.01492	0.5
329.02991	0.4
331.06686	4.3
351.04794	0.4
393.06058	0.5
419.04074	0.6
423.03314	0.4
439.08813	0.5
441.05103	0.4
455.06223	0.3
483.07776	100.0
484.08136	9.9
484.13452	0.2
491.02203	0.3
509.03705	1.5
518.48395	0.3
591.10193	0.3
635.08148	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46482	2.1
57.03319	4.5
59.01249	32.6
69.59113	15.6
71.01251	28.0
72.99165	5.5
73.02821	4.6
74.54931	2.0
75.00745	27.4
83.01252	3.0
85.02821	34.6
85.03294	3.6
85.30504	1.9
87.00747	8.2
89.02327	3.7
95.01262	2.7
96.95896	22.1
98.20527	3.9
98.95495	2.5
99.00749	8.2
101.02324	5.6
109.28497	1.9
113.02316	35.3
115.00243	2.7
116.92805	2.1
119.04945	2.5
125.02352	7.4
161.02362	2.9
169.01338	3.8
175.02400	3.2
177.01828	2.3
202.89708	1.9
210.75343	2.0
218.60013	1.8
220.64883	2.1
257.13086	2.1
315.13370	2.1
420.16306	2.1
441.46652	2.9
520.15369	2.5
589.25006	100.0
590.25507	14.1
615.24957	2.3
633.27856	21.6
634.27356	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	633.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26287	0.1
57.03325	0.4
58.90586	0.2
59.01256	0.5
59.12002	0.2
63.66509	0.1
65.00167	0.7
67.26260	0.1
71.01258	0.3
81.03334	4.7
83.01260	0.9
85.06466	1.5
87.04395	0.8
93.03391	0.3
95.01273	0.3
95.04933	0.2
97.02814	0.3
98.19781	0.4
107.01260	0.3
107.04926	0.2
109.06464	2.6
111.04409	4.4
112.04682	0.2
121.02884	0.3
123.04389	0.2
124.01585	0.2
125.02332	4.4
127.07557	0.6
133.06465	0.8
135.04446	0.2
136.05202	0.9
140.60007	0.2
149.02402	1.0
151.00349	0.7
151.07556	30.8
152.01096	0.5
152.07909	1.1
153.05493	0.3
161.06010	0.3
163.07544	0.4
165.05501	0.4
167.03337	0.2
173.40028	0.2
175.00270	0.4
177.05475	0.9
179.06995	0.8
191.07007	0.7
192.24706	0.1
193.05104	0.2
193.08766	0.2
194.05789	0.4
195.06563	100.0
196.06894	5.1
201.05525	0.9
207.06644	0.8
208.07336	0.2
209.08160	1.7
219.06575	21.2
220.06905	1.3
221.08055	0.2
236.91455	0.2
237.07658	7.0
238.08012	0.4
239.80919	0.1
248.45439	0.1
249.07655	1.5
251.03517	0.2
261.07657	0.4
292.18198	0.2
633.32770	4.0
634.32751	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15993	1.1
51.55022	1.1
53.00228	1.2
55.01748	1.5
57.03316	3.8
59.01247	24.7
69.03311	1.6
71.01250	26.4
72.99188	5.4
73.02828	7.0
75.00745	29.7
83.01245	3.4
85.02823	25.7
87.00755	7.0
87.01192	1.1
89.02309	4.9
95.01244	2.5
96.95901	1.9
97.02845	2.6
99.00758	9.0
101.02334	5.0
103.00242	1.6
109.02834	2.5
111.00719	1.5
111.67666	1.0
113.02325	25.9
115.00224	1.6
117.01839	2.2
119.03409	1.1
119.04900	4.9
122.03677	1.4
125.02329	2.7
125.11110	1.1
126.34901	1.0
129.01854	1.1
131.03380	4.6
134.03635	10.3
134.33408	1.2
138.66599	1.2
149.05972	1.5
158.38287	1.1
163.03870	5.4
167.03412	1.5
171.24889	1.2
173.04474	7.4
175.02411	3.2
175.03883	2.2
178.02583	3.2
193.03387	1.6
193.05002	16.9
589.24963	100.0
590.25354	12.7
633.27454	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84902	0.5
57.03325	1.1
59.01253	4.1
63.84509	0.5
69.51731	4.1
71.01238	3.1
72.99182	19.3
73.02819	1.1
75.00743	1.9
83.01250	0.8
85.02828	3.7
87.00755	0.6
89.02337	1.6
89.03850	0.9
93.03334	1.3
95.01265	0.8
96.95905	5.0
99.00769	2.2
101.02335	1.4
109.02856	1.0
113.02313	5.0
117.03338	2.9
118.04794	0.5
119.04916	100.0
120.05240	2.7
121.02836	1.7
123.00762	1.0
123.04396	1.0
125.02341	4.6
132.02086	2.9
133.02864	1.4
134.03630	33.5
135.04343	2.2
137.02344	3.0
139.03888	1.3
145.02831	3.3
149.02299	0.6
149.05988	4.7
149.99409	0.7
153.01842	1.2
160.01570	11.3
160.02837	0.9
161.02370	5.3
162.03108	1.4
163.03920	68.3
164.04245	3.1
165.01820	1.2
167.03337	0.7
169.01334	3.0
175.03923	12.2
176.04291	0.8
177.01843	0.8
177.05478	1.1
178.02635	6.8
178.99814	0.9
179.03368	3.3
180.04134	0.6
190.02222	0.5
193.01408	2.7
193.04997	26.6
194.05437	0.7
195.06499	0.6
205.05179	0.5
219.06630	0.8
225.07568	0.8
267.07361	1.1
277.06921	0.8
301.03757	0.9
303.13452	0.8
307.08313	1.0
319.04535	1.3
325.09265	0.8
337.09341	0.6
439.06592	0.8
439.12451	12.4
440.12781	1.0
457.13525	65.7
458.13937	7.2
481.11679	0.6
589.25140	1.1
633.18280	10.3
633.27863	2.8
634.18561	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.0
57.03330	5.5
59.01254	26.3
62.68371	0.7
68.85736	0.7
71.01257	22.7
71.31355	0.7
72.99183	4.1
73.02828	4.2
75.00749	27.3
77.05135	0.6
83.01263	3.3
85.02825	29.4
87.00741	6.2
88.35177	0.7
89.02339	3.5
95.01274	3.0
98.19781	2.0
99.00755	9.7
99.27424	0.7
101.02335	4.6
111.00756	0.9
113.02335	33.2
114.02669	1.0
115.00269	2.9
117.01789	1.4
125.02311	1.2
129.01888	1.1
133.47023	0.7
157.01326	1.3
161.04509	1.2
175.02371	3.1
209.15390	3.2
371.20636	2.4
589.25024	100.0
590.25391	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	633.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	12.5
59.01234	4.6
63.02265	3.7
64.18158	2.6
65.00201	4.6
69.31041	6.7
69.31447	22.5
69.35412	2.6
70.27187	2.3
71.01237	4.8
71.88338	2.5
75.00777	2.8
83.01254	7.4
85.02796	4.3
87.00738	3.0
95.01259	5.3
107.01273	16.9
109.02842	10.4
111.00731	4.0
113.02343	4.2
119.04905	2.7
121.02831	4.3
123.00777	17.4
123.04498	3.3
124.01548	6.1
125.02338	95.4
126.02711	3.2
133.02792	3.8
137.02335	22.2
139.03902	14.9
142.20398	2.6
147.04443	3.1
149.02353	10.0
149.06036	2.6
151.00288	31.5
151.03871	3.5
152.01015	8.6
153.01833	13.8
155.03415	3.2
155.78177	2.5
159.04492	4.0
163.00282	12.0
163.03889	4.1
164.01135	3.6
165.01859	32.2
166.99741	3.2
167.03404	32.7
168.00595	4.0
169.01331	55.0
169.02750	3.1
173.02353	3.6
175.00288	10.7
175.03993	2.8
176.01085	7.3
177.01860	14.6
178.99777	37.5
187.03894	7.4
189.01918	4.1
190.02629	6.2
191.03404	31.5
192.00668	3.7
193.01361	100.0
194.01691	4.8
203.03357	4.8
205.05037	12.1
211.04056	6.5
213.02057	2.6
213.05527	3.2
214.02718	2.8
215.03539	7.0
227.03473	7.7
231.03001	5.9
232.03795	9.0
233.04472	28.9
234.01637	4.3
235.02420	6.6
239.03490	4.4
243.02771	3.1
255.02948	8.7
256.03662	7.5
257.04523	18.1
271.04535	14.9
274.04788	7.6
275.05612	37.3
283.02463	83.0
284.02829	7.3
300.02740	14.7
301.03482	61.3
313.05630	23.3
327.07266	4.6
331.06812	5.0
353.08670	7.9
355.06696	11.2
370.32706	3.4
395.09543	3.5
397.07834	3.4
419.09830	10.6
437.10956	21.5
438.10696	2.9
451.08881	6.3
463.03177	2.5
463.08804	58.4
464.09430	5.8
479.08307	8.7
481.09686	20.7
493.06351	3.4
505.09991	17.7
507.07748	43.8
508.08145	5.2
571.10895	13.8
585.16486	5.2
589.11975	11.4
590.12433	4.0
615.09857	78.7
616.10248	10.0
633.10754	61.0
634.11285	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	633.11
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81098	0.9
57.03329	7.5
59.01255	13.9
63.02267	4.5
65.00193	5.2
68.99683	1.0
69.03326	2.4
71.01258	13.7
72.99191	4.8
73.02822	4.2
75.00750	10.0
81.03323	1.5
83.01259	8.3
85.02830	10.8
87.00755	3.4
89.02314	2.8
93.03377	1.2
95.01270	5.7
96.95892	13.3
97.02822	1.8
98.02398	1.9
98.19763	2.5
99.00745	3.0
100.03809	1.1
101.02338	5.6
103.00230	1.4
104.38705	1.0
107.01279	15.2
108.02099	0.9
109.02861	5.5
111.00755	2.5
113.02341	11.6
119.04941	5.4
119.05637	1.0
121.02866	2.6
123.00774	5.2
123.04420	1.4
124.01557	5.9
125.02342	66.7
126.02706	1.8
127.00204	1.0
128.11494	1.0
131.03403	1.5
134.03662	5.0
135.04440	1.6
137.02348	11.8
139.00259	1.3
139.03935	12.2
140.01018	1.9
143.84265	1.0
145.02820	2.0
147.00761	4.3
148.01569	1.3
149.02324	5.1
149.05991	2.4
150.99127	1.9
151.00291	32.4
151.03818	1.3
152.01097	7.3
153.01826	7.9
155.03456	1.1
157.01382	1.0
159.04405	2.0
161.02344	2.3
162.03125	1.3
163.00269	6.4
163.03917	4.3
164.01033	7.1
165.01840	11.9
165.05510	1.1
167.03413	8.6
168.00540	4.2
169.01344	53.5
170.01735	1.7
175.00298	20.2
175.01855	1.6
175.02408	1.2
175.03825	2.7
176.00974	2.8
177.01852	5.8
178.02649	2.4
178.99786	51.0
179.03302	1.5
181.01262	1.0
184.85095	0.9
185.02350	2.8
187.03889	3.9
189.01865	2.9
190.02617	4.1
191.01711	2.1
191.03433	35.4
192.00575	21.2
193.01372	100.0
193.03333	6.9
193.04900	9.7
194.01730	3.5
194.03810	2.0
195.06586	1.7
199.03900	1.3
201.05492	1.6
203.03441	1.7
205.05020	3.7
211.02318	1.6
213.01897	3.2
214.02678	2.0
215.03468	16.7
216.03789	1.5
217.05002	1.2
227.03452	2.5
228.04327	1.4
229.05052	2.9
229.29420	1.3
231.03014	2.1
232.03770	3.2
233.04523	12.2
234.01666	2.2
235.04550	2.3
236.04863	1.8
239.03493	1.8
245.04454	1.5
255.02939	2.8
256.03717	11.8
257.04538	27.7
258.04849	2.0
259.02383	2.3
272.03217	2.1
273.03940	1.4
274.04782	1.5
275.05685	7.9
282.01703	3.6
283.02454	3.8
300.02771	15.9
301.03540	65.5
302.03873	4.5
313.05655	26.2
314.05902	1.4
319.04706	2.5
321.86603	1.1
325.03238	1.1
353.08829	5.0
355.06726	48.6
356.06995	2.8
377.08807	1.6
379.07224	1.1
380.09268	1.4
381.08975	1.0
395.09842	3.1
406.59256	1.1
408.60220	1.1
419.09879	15.5
420.10464	1.4
421.07446	1.8
445.07526	2.5
457.20731	2.7
463.08835	15.6
481.09915	7.6
492.91537	1.1
505.09885	3.9
507.07806	56.9
508.08273	4.8
529.09930	2.9
547.11224	2.5
571.10773	10.5
572.11621	1.8
573.09021	1.3
574.09229	1.3
588.23633	5.0
589.11847	1.5
589.24738	15.0
597.08502	4.1
615.09930	31.4
616.10272	3.3
633.10950	67.4
633.28052	4.1
634.11353	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	633.11
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00978	3.3
57.03310	5.5
59.01249	4.3
65.00191	11.9
69.08801	3.5
71.01277	6.6
71.58455	3.8
73.04507	3.3
75.14667	3.1
83.01280	9.1
89.86197	3.7
95.49000	3.0
98.19765	8.8
107.01286	28.5
109.02832	10.8
112.58177	3.3
113.76583	3.3
119.01218	4.2
123.00781	10.6
123.04488	3.6
124.46191	3.5
125.02347	100.0
131.01271	4.0
135.00749	4.1
137.02368	9.8
138.90138	3.7
139.00296	3.5
139.03883	4.7
140.01093	4.1
147.00769	9.9
149.02402	4.8
151.00278	84.5
151.03839	6.6
153.01854	26.8
163.00276	35.8
164.00772	3.6
165.01826	12.8
167.03494	4.3
168.00542	5.5
169.01334	81.1
175.00322	42.6
176.00945	4.5
177.01851	11.0
178.99808	12.5
187.93257	3.1
191.01926	3.8
191.03462	12.5
193.01355	84.1
197.23792	3.7
211.02364	12.7
215.03349	4.6
233.04500	5.2
257.04657	8.0
271.04544	6.8
282.01767	4.9
283.02603	21.5
300.02838	7.8
301.03543	15.4
313.05661	80.0
314.05930	5.6
319.04630	9.2
324.28946	3.4
439.08908	14.1
465.06726	45.8
466.07187	4.5
467.08661	5.2
477.06882	16.4
493.06201	47.9
494.06616	5.2
495.07318	5.1
597.09064	27.2
605.11420	12.9
615.09741	47.4
633.10394	40.0
633.19391	4.9
634.11005	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	631.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	0.7
60.97989	0.8
69.31384	7.1
72.41376	0.6
75.32278	0.7
78.95762	2.8
81.03320	5.1
83.01271	0.8
99.08031	1.9
101.05958	1.2
107.01311	0.8
123.08019	3.0
125.02338	4.7
125.05968	5.7
136.05168	1.0
139.03914	0.8
149.02341	0.9
152.99490	1.1
165.09122	37.2
166.09444	1.2
171.18671	0.7
179.07043	1.2
191.07094	1.5
193.08673	0.8
199.84404	0.7
205.08604	1.1
209.08130	100.0
210.08453	5.2
215.07092	1.0
221.08064	1.2
223.09674	2.4
233.08139	23.1
234.08478	1.3
251.09209	9.6
255.23129	0.9
263.09244	3.3
279.23325	1.0
279.87250	0.7
631.34985	6.1
632.35205	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4002
Annotation	Methylene-bismehranine
Peak:m/z	Relative Intensity
70.19891	1.0
71.57235	1.0
71.57817	1.5
75.89526	0.9
78.95776	4.3
79.50671	1.1
117.03345	28.0
121.02837	6.8
123.04443	1.4
131.04901	3.7
132.05711	30.9
133.02893	1.5
133.06047	2.2
134.03615	2.2
141.76666	1.0
145.02855	64.9
146.03209	2.2
152.99477	2.2
162.03185	1.7
175.03934	4.2
258.65091	1.1
279.23398	1.6
565.94873	1.2
631.40021	100.0
632.40454	23.7
654.67126	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.5
57.03323	5.6
58.00456	1.0
59.01255	16.0
68.99683	1.1
69.03340	1.4
71.01254	23.1
71.60252	1.6
72.99188	6.0
73.02818	3.0
73.99560	0.9
75.00747	23.1
83.01262	3.9
85.02827	33.1
87.00761	8.8
88.03915	1.1
89.02317	8.5
93.03346	1.4
95.01267	4.1
96.95903	6.2
97.02827	1.5
99.00764	9.1
101.02351	7.4
109.02760	0.9
111.00787	1.0
112.01566	1.2
113.02336	26.6
115.00278	1.6
117.01789	2.3
119.03425	1.7
121.02851	1.1
125.02343	5.6
125.03144	1.0
131.03415	1.0
132.02960	1.0
137.02359	2.5
139.03912	1.7
149.02385	1.1
150.03186	1.7
151.00183	1.2
157.01268	1.9
161.02377	1.7
165.01834	2.3
165.05492	2.3
166.02609	1.4
167.03212	1.1
169.01286	2.3
169.51633	1.0
173.04514	1.1
175.02382	2.8
177.01828	1.1
179.03438	1.4
180.04239	1.5
181.04936	3.1
182.05292	1.3
186.24298	1.0
187.71767	0.9
191.01924	1.3
195.06607	1.7
209.11765	1.8
233.08093	1.1
251.09351	1.1
253.09624	1.5
255.03104	2.0
267.07291	1.1
284.03253	1.5
285.04132	2.2
289.07217	1.4
363.03574	1.1
421.17657	1.0
455.26294	1.1
593.13104	2.2
631.29846	100.0
632.30225	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	631.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38255	0.7
58.32204	0.7
59.01253	1.2
65.00200	1.5
71.01244	0.9
71.58527	0.9
78.95774	1.9
81.03326	5.7
85.06461	1.7
87.01286	0.6
87.04386	0.7
96.17168	0.6
104.06783	0.7
104.18592	0.6
105.65237	0.6
109.06477	2.3
110.60539	0.7
111.04404	5.3
125.02354	5.7
127.07531	0.9
136.05165	1.7
137.26711	0.8
147.52655	0.8
151.00299	1.4
151.07556	36.7
152.07852	1.4
152.99400	1.0
164.71188	0.7
165.05469	1.2
177.05478	1.2
179.07045	0.7
191.06998	1.2
195.06557	100.0
196.06937	5.2
207.06595	1.0
209.08060	2.2
219.06578	23.1
220.06868	1.3
237.07660	8.3
249.07651	1.9
311.22192	0.8
631.30975	6.8
632.32104	1.1
637.20575	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77956	1.0
57.03324	4.9
59.01249	19.0
69.03314	0.9
69.24500	5.9
69.24931	4.7
71.01252	29.5
72.99181	6.9
73.02824	2.4
75.00748	27.9
77.44738	0.8
83.01262	2.9
85.02823	29.2
87.00756	8.0
89.02317	8.1
94.06465	0.9
94.22233	0.8
95.01266	2.7
96.95886	2.1
97.02792	1.6
99.00749	8.3
101.02305	5.2
111.04411	1.0
113.02332	26.2
115.00242	4.0
117.01798	2.2
119.03389	2.1
121.02862	5.6
125.02323	3.6
135.02924	5.1
137.02339	1.3
137.80457	0.9
149.02351	2.4
150.03120	5.2
151.03934	1.4
152.01071	1.9
157.01312	1.3
161.02385	4.5
165.01840	1.7
165.05475	6.1
173.04456	1.6
175.02327	2.9
176.04688	2.5
179.03418	9.4
180.04112	1.3
191.07123	0.9
194.05763	6.1
195.06511	6.4
204.12552	0.8
209.08122	14.3
213.20970	0.8
219.06535	1.8
231.65312	0.8
237.07703	2.8
247.06100	3.8
250.25264	0.8
267.07162	3.0
289.07028	1.2
293.44608	0.9
350.16855	0.9
373.13010	3.8
373.28946	0.9
405.51462	1.1
441.13812	2.5
451.12320	1.2
455.19070	1.1
567.57489	1.0
587.18817	2.0
631.29742	100.0
632.30139	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	631.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66661	1.5
57.03316	2.6
57.31766	1.6
59.01257	9.5
69.33019	19.7
71.01250	7.5
72.99166	3.0
75.00743	3.2
83.01273	2.5
85.02818	5.1
87.00755	2.7
89.02327	3.4
92.49539	1.5
94.06489	3.1
95.04899	3.8
96.95879	5.2
97.24043	1.7
98.19708	3.6
99.00778	2.2
101.02319	4.5
107.03645	4.2
109.02802	3.0
110.06025	9.6
113.02311	3.5
120.08083	53.3
121.05253	4.0
121.08434	2.2
122.06014	99.0
123.00806	2.6
123.06340	3.1
125.02312	13.1
134.06003	4.7
135.08040	7.2
136.07587	3.5
137.02324	5.2
137.04704	1.8
144.04434	6.9
151.03935	2.0
157.95477	1.6
159.04431	1.5
160.03961	2.3
161.04665	2.3
162.05511	3.2
164.07036	5.0
167.03387	2.8
169.01346	4.1
170.01683	1.9
171.10208	3.6
172.03957	2.2
174.05482	9.7
179.03458	4.9
185.11739	4.1
187.06279	1.8
188.03508	3.4
194.05789	3.9
201.11214	3.2
203.05769	8.8
209.08089	4.8
209.11748	4.8
211.13290	3.0
215.11888	2.6
223.08682	5.4
223.12251	2.9
229.14346	5.6
236.09483	7.1
237.10301	9.7
238.11026	3.6
239.11838	3.3
241.13461	2.7
249.10283	3.6
249.13969	4.6
250.11116	4.9
251.11858	39.7
252.12448	6.0
253.09633	3.1
253.13336	2.0
263.08322	7.2
263.11694	8.0
264.09033	8.7
265.10101	2.0
265.13440	9.5
266.10583	4.2
267.11340	2.6
268.08603	2.4
275.08148	2.2
276.08984	7.4
277.09821	42.7
277.12643	3.6
278.10648	16.3
279.11362	8.9
281.09329	3.1
281.12833	1.9
282.10010	2.7
283.10849	5.1
287.14105	5.0
291.11389	46.9
292.12155	58.9
293.09479	3.8
293.12881	46.7
294.10318	2.3
294.13455	7.2
295.10913	3.7
295.14249	2.7
296.11597	3.3
301.11850	4.2
311.10382	3.6
313.11847	3.2
319.10858	2.2
324.11148	9.7
325.11942	3.6
335.10422	12.0
336.11127	15.0
337.11859	11.6
338.12418	2.5
343.13065	3.6
344.14117	3.8
360.17197	5.4
372.17188	14.7
373.17896	5.0
374.18906	4.2
386.15030	2.8
388.16556	2.3
390.18341	4.5
399.16379	2.4
400.16568	5.2
402.18234	5.1
406.17972	1.8
414.18201	19.2
415.18826	7.7
418.17670	8.5
419.17856	2.6
432.19330	21.1
433.19888	2.8
436.18710	7.0
447.17871	2.3
458.17172	5.9
459.17896	7.9
460.17969	2.0
464.18118	1.8
476.18289	48.7
477.18939	22.8
477.30261	4.3
478.19565	5.0
490.19788	7.4
495.23608	2.3
508.20862	100.0
509.21350	19.8
513.25189	4.0
525.25214	4.6
537.25153	18.4
538.26123	2.7
555.26025	25.1
556.26398	3.6
569.23383	2.1
581.24042	13.9
586.77014	2.1
599.25128	95.3
600.25360	17.6
613.26642	6.0
631.19916	3.8
631.27838	61.8
632.28510	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	631.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37489	2.5
54.40003	2.3
57.03318	3.8
59.01245	22.3
61.98687	2.7
71.01250	14.4
71.58961	3.6
72.99174	3.5
73.02845	5.8
75.00745	3.4
83.01258	3.4
85.02811	15.4
85.18986	2.8
87.00753	5.6
87.05498	3.1
89.02319	4.9
96.04427	4.3
96.95883	4.1
99.00766	4.6
101.02319	4.9
107.03622	4.2
107.40757	2.7
108.04420	3.2
109.02795	3.4
110.05991	7.8
113.02334	11.4
120.08079	47.1
121.05202	4.0
122.06010	84.5
123.00764	2.7
125.02345	20.6
134.06020	4.6
135.08026	8.1
136.07573	3.1
137.02301	8.8
139.00293	3.2
144.04459	5.8
150.03142	3.1
161.02402	3.2
165.05524	3.1
166.02660	2.6
167.03279	2.9
168.00581	5.4
169.01352	9.6
174.05499	7.1
177.01872	3.6
177.05435	3.6
179.03394	18.0
185.11755	18.0
194.05751	18.7
195.06477	3.1
201.11266	10.3
203.05888	7.7
209.08168	23.9
209.11757	15.7
211.02274	3.4
211.13301	9.4
217.05159	2.7
223.08632	3.7
227.12979	3.9
229.14413	27.0
236.09462	7.7
237.10268	7.0
249.13870	3.5
250.11093	5.2
251.11911	44.4
252.12456	5.0
253.09229	6.4
255.02805	3.0
263.08212	7.8
263.11868	8.9
264.09036	11.4
265.09787	5.5
265.13416	8.5
268.08545	3.4
276.09073	6.3
277.09799	33.4
278.10443	14.7
279.11337	6.9
283.10831	5.1
289.07199	4.0
291.11395	38.1
292.12106	48.6
293.12973	38.6
301.11923	3.6
311.10507	3.2
313.11707	3.5
319.10687	3.2
324.11142	7.5
332.36926	3.9
333.54227	3.1
335.10324	12.8
336.11075	16.0
337.11896	9.7
358.15424	4.4
360.17392	5.0
372.17072	17.0
373.17715	5.1
374.18521	3.4
390.18301	5.7
402.18253	5.1
414.18332	17.3
415.19189	6.6
418.17758	9.2
432.19333	17.4
433.19739	4.1
436.18698	6.5
458.16995	8.4
459.17944	9.6
476.18387	39.6
477.18875	20.6
477.30399	3.4
478.19641	8.5
490.19766	11.7
508.20877	100.0
509.21387	17.1
525.25287	3.5
534.13647	8.6
537.25250	17.6
555.26184	23.8
556.26556	5.1
569.24109	6.5
581.23779	20.7
582.24152	3.8
587.25275	3.1
599.25134	96.4
600.25415	24.6
613.26776	11.0
631.28076	41.6
632.27032	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	631.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15930	4.8
57.03355	4.0
59.01232	23.3
61.98701	5.9
66.51922	4.9
69.95621	3.9
71.01261	15.0
71.59539	8.4
72.99167	4.3
79.60851	5.2
85.02803	5.5
87.00774	6.9
87.20711	5.4
89.02321	5.6
94.06493	10.9
95.01259	6.2
96.95947	9.1
101.02316	10.0
108.16903	4.3
109.02827	8.3
110.05997	13.3
121.02848	5.6
122.06007	22.3
123.00784	9.9
125.02354	22.3
125.09597	5.6
133.66179	4.6
134.05997	7.2
136.07576	10.8
137.02333	24.5
142.47835	5.0
148.01610	4.8
149.02293	6.2
151.04010	4.8
161.07053	11.0
165.01848	10.9
169.01456	5.8
174.05519	19.9
183.13795	4.8
185.11757	80.6
186.12109	6.9
201.11292	42.6
203.05824	8.0
209.08449	5.3
209.11777	74.7
211.13350	56.8
235.08203	7.6
237.10269	10.4
239.03496	6.3
239.11778	4.8
241.13470	20.3
243.15083	18.4
253.09312	20.2
267.03015	10.0
282.09955	8.5
283.10651	5.5
287.13931	29.8
297.07635	6.0
301.03391	6.3
311.10233	5.5
313.11752	6.6
371.19604	6.1
372.17136	11.3
386.14771	5.0
400.16617	14.2
400.54276	4.6
414.18274	21.0
415.19177	10.8
495.23868	5.0
513.25214	16.1
537.24915	13.8
555.26147	35.3
556.26984	6.4
599.25031	33.5
600.25562	6.8
613.16919	13.7
631.27771	100.0
632.28699	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	631.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.9
57.03317	8.2
59.01249	41.4
68.99710	2.5
69.03344	3.1
69.29246	5.5
69.29659	14.0
70.32449	1.8
71.01253	47.6
72.99185	25.7
73.02820	16.0
75.00751	41.1
76.64384	1.8
83.01256	8.3
85.02828	50.6
87.00753	15.1
89.02301	12.2
95.01279	5.4
95.40246	1.5
96.95889	19.0
97.02845	9.0
99.00768	12.8
99.55112	1.5
101.02311	13.2
103.00277	8.8
108.02110	1.6
109.02821	3.0
113.02330	51.2
115.00253	3.3
117.01804	4.5
117.49905	1.7
125.02347	11.3
129.01794	4.2
131.03430	8.3
133.01286	2.8
137.02336	3.8
151.03947	2.5
155.03448	2.6
157.01439	2.0
165.01863	1.9
165.05411	2.1
169.01311	2.9
173.04477	4.5
175.02449	12.6
177.01868	2.7
181.04987	2.8
193.03471	100.0
194.03748	2.3
195.06580	2.0
203.05579	2.6
207.06541	2.7
209.95833	1.5
235.02312	3.3
235.04553	44.2
379.08813	29.2
380.09409	2.2
383.12927	2.1
397.09818	20.3
398.09985	2.2
498.11411	1.7
587.23450	77.8
588.23718	11.3
647.10046	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	631.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38274	3.1
57.03318	4.3
59.01244	21.4
71.01253	6.3
71.58145	3.6
85.45102	2.8
96.95876	8.6
109.02800	3.7
110.06018	13.3
120.08079	12.4
122.06012	19.8
124.07551	5.3
136.07596	12.4
161.04733	4.2
162.07849	4.9
174.05569	21.0
185.11800	3.2
192.55223	3.0
200.09482	4.3
201.11357	4.4
203.05739	4.2
215.11850	50.7
226.10980	7.6
227.11623	4.0
236.09492	4.6
241.13446	42.7
242.13710	3.1
243.15001	14.4
269.15302	3.0
283.10800	10.3
287.14017	100.0
288.14221	8.3
295.14569	10.0
301.11893	10.7
330.12454	8.6
343.13089	8.2
345.14883	6.9
346.15448	4.3
346.19260	7.5
356.17712	10.2
357.14694	4.4
358.15585	8.6
359.16321	5.9
370.19229	6.8
372.17041	37.6
373.17804	7.0
374.18768	19.4
375.19144	4.0
386.14780	5.7
400.16769	22.6
405.16974	11.9
414.18198	19.0
415.19205	7.5
487.27231	7.4
493.26074	4.2
495.23999	14.5
511.27267	5.0
513.25000	28.0
525.24884	11.0
535.41351	3.6
537.25037	43.0
538.25299	8.3
540.23657	4.6
555.26080	70.3
556.26129	14.5
558.24860	10.8
559.27454	7.6
559.77399	4.7
576.24481	4.0
581.23468	16.2
599.25146	79.6
599.33557	2.9
600.25269	16.5
613.26825	9.2
631.27606	59.5
632.28186	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	631.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
67.66009	2.2
68.89635	2.3
71.01263	5.0
71.37705	4.0
71.38046	4.2
72.99207	3.3
78.85789	2.1
90.38186	2.3
97.05044	2.3
99.57659	2.6
101.02275	2.9
113.02318	3.8
123.00814	3.5
125.02357	13.7
147.08069	18.6
150.03156	6.9
163.76888	2.8
165.05405	4.8
169.01350	14.0
191.07062	8.4
209.08151	3.9
251.09225	2.6
313.05609	5.9
316.01993	4.8
479.12326	19.7
545.75970	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	631.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	25.4
63.53830	3.6
71.57483	5.2
71.57870	3.8
73.98666	3.5
76.47694	3.3
92.36520	3.8
95.01243	3.2
101.80235	3.2
122.03614	18.0
125.02306	11.0
135.09825	3.5
137.02335	6.5
154.02554	4.6
163.07562	100.0
164.07910	3.6
169.01324	10.1
193.01332	8.4
207.06544	11.6
224.80685	3.2
231.53067	3.8
267.08743	13.7
352.80682	3.3
357.76633	3.5
479.11975	7.2
537.12042	3.9
540.51178	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	629.4188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.6
59.01242	1.7
71.57755	0.9
72.65805	0.6
74.68213	0.7
78.95784	3.8
95.04897	1.7
96.18582	0.6
113.09635	1.1
152.99486	2.1
170.00320	0.8
183.01137	6.9
184.01700	0.8
195.13834	13.1
197.02733	1.6
199.13359	1.2
277.21732	11.9
278.22079	1.0
289.00281	0.7
295.22769	100.0
296.23108	10.0
311.16852	31.0
312.17358	2.0
333.18423	1.9
335.11746	0.9
355.06693	0.7
367.98352	0.7
375.04761	0.8
502.98444	0.8
529.32159	1.1
629.41138	9.2
630.41071	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	631.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.4
70.15954	0.7
70.16362	0.5
71.01241	0.5
72.99174	0.3
75.00742	0.3
79.95611	2.9
85.02820	0.8
87.00750	0.3
96.95889	100.0
97.95834	0.3
113.02312	0.8
114.93322	0.3
125.02300	0.4
130.17944	0.2
131.87042	0.2
169.01407	0.4
184.27768	0.2
195.06497	0.3
200.53360	0.2
255.02931	0.4
284.03265	0.6
285.04053	0.7
341.61041	0.2
489.10568	0.5
587.23907	0.6
631.26166	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05101	1.4
54.38598	1.4
55.03665	1.5
59.01250	22.9
71.01263	3.2
71.57484	2.4
71.57872	2.4
73.02806	1.6
78.95769	1.6
85.02830	2.3
97.06500	1.3
99.48415	1.9
110.06013	5.8
120.08104	4.1
121.02859	14.1
121.05250	2.8
122.06015	27.8
125.02328	6.4
134.06018	8.5
141.01581	5.8
144.04417	2.1
152.72168	1.7
160.06355	10.9
165.82977	1.4
166.02649	2.3
167.37796	1.5
174.05536	8.3
181.04948	2.4
197.07291	1.5
203.05835	2.9
213.10266	42.0
214.10521	1.9
215.11873	3.0
225.10274	3.3
226.11003	4.5
239.11874	18.2
241.08749	1.5
241.13443	22.5
242.13794	2.3
251.11777	2.9
277.09595	1.7
283.10825	4.0
284.03430	1.6
285.12460	100.0
286.12814	7.4
293.12961	8.1
299.09384	7.6
301.11893	2.9
311.10440	1.7
314.12573	2.1
328.10803	4.1
328.14392	1.9
329.15445	1.8
330.16068	1.7
340.10840	2.1
343.12967	7.5
344.17667	3.7
354.12146	1.9
354.16141	5.2
356.14087	10.4
357.14722	2.4
368.17795	2.6
370.15616	17.3
370.56390	1.6
371.15796	3.6
372.17191	6.5
381.09467	8.6
384.13376	4.5
397.14459	3.6
398.15149	13.1
403.15326	8.7
412.16656	10.3
413.17191	8.9
419.16022	2.3
457.16568	2.0
471.60718	1.7
485.25491	2.4
491.24753	2.4
493.22375	6.7
511.23392	13.8
512.23993	2.7
523.23193	5.0
535.23456	27.9
536.23914	3.1
543.13654	1.9
553.24542	62.3
554.24823	12.2
556.23181	3.9
579.22168	9.3
597.14050	3.5
597.23499	66.4
598.23938	13.0
611.25055	2.3
629.25830	23.4
630.26611	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	3.0
61.06472	0.4
67.01748	1.1
68.99695	0.6
69.03331	1.2
69.51844	2.0
69.52251	1.4
71.01253	5.1
72.99173	1.1
73.02816	0.6
77.32740	0.5
79.01771	1.3
81.03340	1.1
83.01268	1.3
85.02831	2.2
86.50194	0.5
87.00780	1.1
89.02332	1.1
95.01255	2.4
96.95899	3.3
97.02838	2.1
98.19807	0.8
98.20472	1.1
101.02334	2.7
102.43826	0.4
107.01277	10.5
107.01958	0.8
109.02859	0.9
109.06499	0.5
111.00789	2.5
113.02310	2.5
121.02876	0.8
122.05963	0.4
123.00777	15.2
123.04426	0.4
124.01609	3.0
125.02345	57.8
125.09606	0.6
126.02698	1.4
127.00306	0.8
127.11142	0.8
135.04431	1.1
136.98734	1.8
137.02347	1.8
138.17038	0.5
139.00273	4.6
139.03918	2.4
140.01077	3.9
141.01828	2.0
149.02383	2.6
150.03130	2.6
151.00278	9.0
151.03911	0.9
153.01813	0.7
154.99771	0.5
161.02345	0.7
163.03915	1.9
164.04710	0.9
165.01843	0.6
166.99828	0.7
168.00566	4.6
169.01343	63.4
170.01688	2.0
171.10222	1.8
179.03429	0.5
181.01439	0.8
183.02901	8.0
193.01367	0.9
201.11269	8.3
209.11778	9.1
211.02449	1.5
221.11751	0.9
223.13425	1.0
241.03587	0.8
253.09245	1.6
254.05914	0.6
255.06581	0.6
269.08206	5.4
270.05426	3.2
270.08203	0.8
276.09073	1.1
285.07690	6.7
286.08426	3.0
287.09271	1.1
289.07227	1.2
291.11472	4.2
292.11670	0.6
297.06079	1.3
300.10010	3.4
301.07150	0.7
301.10754	1.9
313.05658	21.7
315.12341	4.4
327.07227	5.2
335.10190	1.6
373.12714	0.5
375.21619	1.1
437.13223	0.5
467.13361	1.0
475.17499	1.1
572.76190	0.6
597.23926	2.9
611.30731	0.9
629.18762	100.0
630.19104	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	629.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18911	0.8
57.03320	4.0
59.01250	17.3
61.98691	0.9
67.01707	0.9
69.53358	5.5
69.53767	1.4
71.01251	15.9
72.99173	4.1
73.02817	2.4
75.00744	26.2
79.00544	0.7
83.01253	2.3
83.04887	2.0
85.02824	19.3
87.00758	5.6
89.02339	2.4
95.01283	2.4
99.00756	9.8
101.02324	1.7
103.00256	1.5
108.01969	0.8
113.02331	17.1
115.00247	2.2
121.02843	100.0
122.03178	4.4
125.02326	3.3
129.01830	2.1
135.04404	1.3
137.61006	0.8
139.00290	1.0
157.01315	2.1
165.09064	1.1
169.01282	1.7
175.02361	2.8
175.03807	1.2
191.03363	1.1
209.08138	4.4
261.37796	0.8
428.34286	0.9
445.13339	2.4
463.14658	7.6
464.15002	1.4
558.51135	1.0
585.18231	41.4
586.18573	7.1
629.28302	15.5
630.28619	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	629.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	20.3
61.98714	3.7
71.01257	5.6
71.59699	2.6
73.02832	1.8
73.49990	1.8
75.00759	3.5
85.02819	4.2
86.11695	1.6
87.00769	2.3
89.02322	2.5
95.01247	2.6
96.95881	2.8
99.00770	3.1
101.02333	3.5
106.06497	2.5
109.02823	2.6
110.06001	6.0
113.02327	5.8
115.71970	1.9
120.08123	2.1
121.02863	6.4
121.05266	3.8
122.06013	26.0
122.40487	1.7
123.00788	6.4
123.04422	2.8
124.01530	1.8
125.01557	1.8
125.02303	10.0
133.02835	1.6
134.06009	7.7
135.04436	2.1
136.01569	2.8
136.05180	3.8
137.02356	3.3
138.03078	2.5
144.04384	2.2
149.02344	5.5
150.03110	3.5
151.07538	13.3
160.06325	10.8
161.02345	3.1
161.04694	3.0
162.05511	1.8
163.00314	2.7
164.00963	3.3
167.10854	1.9
171.10243	2.1
174.03110	2.0
174.05545	9.4
175.03958	4.7
177.01868	2.0
184.90599	1.6
185.11758	1.9
199.03952	2.2
200.04640	2.5
201.11346	3.9
203.05641	4.1
209.11789	8.5
211.03903	1.6
211.08684	3.6
211.13356	3.7
213.05446	2.4
213.10291	38.3
214.10570	2.8
215.03354	2.5
225.10243	1.8
226.11081	5.0
227.03499	5.6
227.11356	1.7
239.03645	2.1
239.11896	19.8
240.04404	2.2
241.13417	21.1
243.02980	4.6
251.12018	2.9
253.05011	3.9
253.09503	2.6
255.02931	4.5
256.03671	5.7
257.04456	4.4
267.11404	1.9
269.04544	6.2
270.05341	3.4
271.05994	3.9
277.09619	1.9
283.10849	4.0
285.12454	100.0
286.12616	8.4
293.04498	2.6
293.13043	9.3
295.05725	2.3
297.03983	2.6
301.12042	4.3
303.06677	2.3
309.03922	2.1
315.08820	3.2
330.16129	2.2
331.06104	3.4
340.10712	1.9
343.12970	5.3
344.17645	3.1
345.18582	2.7
349.07135	2.3
354.16183	3.7
355.13235	3.2
356.13895	11.0
359.05460	2.6
365.06656	2.5
368.17734	2.4
369.14502	3.6
370.15717	18.7
371.16110	4.9
372.17059	5.4
375.04910	2.6
376.05331	2.4
377.06665	2.7
378.07443	3.6
382.11554	2.1
384.13483	3.9
389.06500	3.0
390.07611	3.1
391.07886	3.1
393.09592	2.7
397.14047	2.6
398.15112	15.6
403.15317	6.2
404.05188	2.1
404.80154	1.9
405.09680	2.5
412.16721	13.6
413.17307	9.0
485.25677	3.2
493.22174	6.7
511.23367	11.6
512.23743	2.3
513.08490	4.0
523.23541	6.9
528.10547	9.7
535.23364	26.5
536.23969	2.4
538.08868	2.6
543.13129	6.9
553.11609	4.0
553.24561	67.8
554.24396	6.2
556.10034	2.5
556.23370	4.1
558.15265	5.8
567.22424	2.3
571.12750	3.0
573.17358	8.3
579.22656	10.9
583.15723	3.0
585.25873	3.0
586.14996	4.3
596.13232	5.1
597.13739	3.7
597.23511	70.9
598.23462	5.6
601.17218	38.2
602.17340	7.0
611.15564	69.5
611.24310	3.1
612.16034	8.0
629.16559	88.4
629.26447	22.4
629.38928	9.4
630.16931	18.6
630.26294	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	629.1664
Annotation	SC 30532
Peak:m/z	Relative Intensity
57.03333	2.7
59.01020	1.4
59.01263	14.2
60.35012	1.6
61.98705	2.4
71.01270	7.4
71.44160	1.4
71.59383	2.5
75.00751	3.2
77.39873	1.3
78.95795	2.6
80.54928	1.4
82.95309	2.2
83.01256	2.6
85.02834	6.1
87.00761	3.6
89.02329	4.5
95.01242	1.6
96.95901	4.6
99.00792	1.8
100.05521	1.5
101.02335	2.6
106.06562	1.9
109.02818	4.3
113.02319	3.9
121.02850	3.6
122.06036	5.5
123.00761	5.6
124.01575	4.6
125.02325	7.4
133.02867	1.8
134.06070	2.9
135.04430	2.6
135.07112	1.6
135.08107	2.8
136.01579	6.1
136.05157	3.1
137.02345	4.9
145.02795	1.8
148.01552	2.1
149.02344	4.3
150.03093	1.6
151.03918	2.6
151.07562	10.8
153.05496	1.6
161.02361	4.9
161.04608	1.9
163.00343	3.6
164.01085	3.4
165.01807	2.3
165.05487	2.6
169.01424	2.0
171.10226	2.3
175.03903	3.3
177.01918	2.1
185.11636	1.6
187.03951	2.2
189.01814	3.3
201.11218	7.9
203.03476	2.1
209.11748	7.7
211.04004	3.4
213.05446	1.9
213.10262	8.9
216.04076	1.7
227.03447	5.1
229.05035	2.0
239.03453	2.3
239.11858	3.9
240.04240	1.8
241.04979	2.4
241.13287	3.6
242.13722	1.7
243.02959	3.7
255.02975	6.4
256.03812	6.3
257.04581	3.8
267.02963	3.2
269.04532	4.9
270.05316	2.7
271.05997	2.3
281.04480	3.9
283.02795	2.2
283.05917	3.2
284.03387	1.9
285.12427	21.1
293.13126	2.6
295.06097	2.0
297.04044	2.4
343.12677	2.1
348.06497	1.8
351.04999	2.4
359.05447	2.8
361.07031	2.0
370.15726	2.7
375.04913	2.7
376.05835	2.0
377.06619	2.2
378.07852	2.3
388.05368	1.9
390.07620	1.8
391.08282	3.2
392.08963	3.0
393.09851	2.2
398.14948	2.3
412.16446	3.2
413.17462	2.4
447.10745	2.3
449.08652	4.9
451.08401	1.6
467.30667	1.8
510.09616	2.9
513.08496	3.0
527.13184	1.8
528.10480	8.0
535.23724	4.8
543.13037	8.3
544.12952	1.7
553.11816	3.7
553.24298	11.0
558.15466	6.7
568.13684	2.6
573.17645	7.0
583.16321	5.8
585.25989	6.1
586.14587	3.4
587.13599	1.9
596.13678	2.0
597.23383	13.6
598.23810	3.0
601.17200	45.5
602.17487	6.7
611.15601	54.0
611.25458	2.7
612.15973	9.3
614.13788	2.1
629.16711	100.0
629.27161	7.1
629.39105	7.2
630.16962	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	627.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.3
59.01246	8.0
61.98690	1.5
66.22319	1.2
67.88383	1.3
71.01252	5.4
71.59552	2.0
72.99184	1.2
73.02850	1.4
75.00746	1.3
78.95780	60.7
85.02837	2.1
89.02316	1.9
96.95872	1.3
96.96841	10.2
99.08037	1.9
101.02315	2.6
102.64727	1.3
102.65462	1.3
109.02872	1.1
110.90955	1.2
112.14422	1.4
113.02345	2.2
113.09614	1.9
117.19355	1.1
123.54285	1.2
124.34398	1.4
125.02325	5.3
129.09065	3.6
136.05203	4.0
137.02357	1.9
151.07555	21.2
152.99498	61.3
167.14297	1.4
169.12199	2.1
181.12277	3.1
183.13808	1.9
197.11780	10.4
199.13348	3.8
209.11713	1.6
211.13376	13.5
223.00111	7.6
241.01157	25.9
253.09232	1.6
259.02341	1.5
293.21204	6.0
311.22256	29.3
312.22659	1.9
315.04822	8.8
333.06021	2.1
599.15436	3.0
627.15356	10.4
627.27887	100.0
627.37207	8.2
628.17804	1.6
628.28271	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	629.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	6.1
60.18822	3.0
63.52554	3.1
71.01269	7.0
71.59679	4.3
75.00749	4.1
85.02805	9.3
87.00758	3.9
94.99291	3.0
95.01266	4.9
95.98076	3.5
107.01273	4.5
108.02071	21.5
108.14228	3.2
109.02819	15.8
117.68993	3.1
121.29297	3.1
123.00751	14.7
125.02332	35.6
127.31345	3.1
137.02306	4.0
139.00319	7.3
149.00848	4.2
151.00253	9.7
152.01065	42.2
153.01854	6.6
167.03447	3.8
168.00528	5.7
169.01350	56.1
181.12671	3.7
193.98457	6.8
307.06418	3.4
313.05811	20.6
315.07211	22.0
374.74176	3.3
390.63187	3.6
423.09308	36.4
449.07175	7.1
467.08313	100.0
468.08664	8.2
629.13495	59.0
630.13904	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	627.2099
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
69.46882	5.6
73.02837	1.5
78.95776	1.4
84.00887	0.6
98.19714	0.7
115.05418	0.6
152.99532	0.7
177.97954	0.7
242.51202	0.6
248.38896	0.7
279.23471	0.6
326.06027	0.7
437.12289	1.8
438.13312	2.6
451.14032	2.0
452.14871	5.9
453.15070	1.0
481.14966	9.2
482.15271	1.8
484.13785	1.0
493.15689	1.3
494.15741	1.3
495.16699	19.0
496.17133	5.9
507.20706	0.6
508.18030	3.2
509.18124	2.0
512.12921	1.0
521.15576	0.6
522.14990	0.8
523.19257	1.2
524.19208	0.8
525.15308	0.6
526.15125	1.1
535.16241	2.4
536.16632	3.0
537.17621	0.7
539.15704	0.9
540.17004	4.1
541.16882	0.8
551.19391	49.6
552.19641	10.3
553.16998	1.0
554.15735	0.7
555.18542	2.2
566.17499	0.8
568.16681	1.3
568.61499	0.7
572.15643	3.5
586.16956	1.8
587.17413	0.8
595.18304	10.0
596.18372	2.5
627.20953	100.0
628.21228	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63001	1.6
52.63597	1.5
56.93938	1.4
57.03337	8.2
58.97593	1.5
59.01247	13.3
69.82159	7.1
71.01253	4.1
78.95783	6.6
85.02833	2.8
99.04404	6.9
101.02311	5.1
108.02073	1.9
109.02816	4.7
113.02319	3.1
123.00787	4.3
125.02354	6.3
137.02350	11.9
139.03868	2.7
149.02425	2.1
151.00275	25.4
151.03905	2.8
152.00966	2.4
152.04646	2.2
152.99545	6.3
153.01831	2.0
159.04512	2.3
163.03926	2.5
164.04709	2.0
166.02637	77.3
167.03368	3.9
167.32153	1.5
173.02351	1.9
175.03908	3.5
177.01907	3.8
177.05493	3.0
177.78062	1.7
179.03413	1.5
181.04991	85.2
182.05350	3.5
187.04013	2.6
191.03418	4.1
192.04163	1.7
203.03409	1.7
205.05031	5.8
206.05875	3.0
220.07310	4.6
221.08168	7.7
290.38980	1.7
311.09412	1.6
311.22235	2.2
312.06271	2.2
327.08743	1.7
339.08676	3.8
357.09747	3.2
372.12051	6.5
373.12885	1.9
387.10620	13.0
387.14523	50.4
388.14966	5.0
399.14459	4.2
401.16098	2.4
402.12958	7.6
403.13638	2.1
417.15546	100.0
418.15829	10.9
431.17029	2.0
597.23889	2.9
627.26495	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	625.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	8.4
70.01389	2.8
70.01797	5.7
70.99636	1.1
71.01257	4.7
76.22709	1.4
85.02830	1.4
86.67455	1.5
89.02319	5.4
90.73252	1.2
93.03357	1.2
95.04905	3.1
98.25157	1.6
101.02328	3.3
113.02365	2.2
119.03403	4.0
121.10128	18.7
171.10188	51.8
172.10414	1.3
177.16335	1.5
185.11754	1.7
229.90303	1.5
231.21162	4.9
275.20154	76.9
276.20389	7.2
293.21228	100.0
294.21445	9.2
331.19186	2.4
331.48370	1.3
410.32806	3.5
459.24121	2.0
462.37027	1.9
463.37790	3.4
485.26016	1.7
503.26514	7.9
590.39154	25.5
593.14502	1.6
607.36768	26.2
608.37189	4.9
625.38672	5.2
626.37219	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	627.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	6.6
57.64456	2.5
59.01248	13.1
59.25719	2.6
63.01495	2.5
71.01258	9.0
72.99159	3.4
75.00768	2.6
83.01278	5.3
85.02850	7.4
87.00764	3.1
89.02279	3.3
89.14419	3.0
96.82513	2.6
98.19674	4.3
101.02348	8.7
107.01301	4.0
109.02834	9.3
113.02369	4.4
115.00177	2.8
124.01495	3.6
125.02345	35.5
137.02332	8.2
139.03935	5.2
150.03139	3.6
151.00276	12.7
152.01030	5.3
153.01837	11.2
161.05907	2.9
165.01868	10.4
165.05495	4.8
167.03441	3.5
169.01352	3.7
175.00304	18.7
178.99760	12.7
188.99525	2.4
191.03485	8.8
193.01361	100.0
194.01723	3.1
213.05606	2.7
215.03470	5.9
257.04605	8.6
301.03571	17.7
319.04663	12.8
419.20694	3.0
450.14395	3.3
603.38025	3.3
627.27582	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	625.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	26.5
59.01249	5.3
61.98687	0.3
68.99689	0.3
71.01249	2.5
71.21720	0.6
73.02820	3.1
81.03336	1.2
83.01259	1.0
89.02293	0.3
96.53309	0.3
99.04398	20.7
100.04707	0.6
101.02327	7.6
113.05948	0.4
123.04398	1.8
125.02338	18.9
126.02672	0.4
141.05559	0.3
143.03395	1.1
161.04459	0.6
197.11760	1.3
203.05479	0.6
209.11818	1.8
209.15190	0.3
305.08810	3.3
306.09415	0.3
319.22772	100.0
320.23099	10.3
333.24359	2.5
345.10565	0.3
361.23700	0.5
375.54099	0.3
403.24933	0.4
469.27704	0.3
481.28064	0.6
523.28906	0.4
581.33191	0.5
625.32281	6.3
626.32477	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3231
Annotation	Leucasperoside B
Peak:m/z	Relative Intensity
59.01252	3.5
66.87720	0.3
69.93178	0.7
69.93584	1.3
71.01253	3.7
72.99180	0.5
73.02810	0.7
78.95765	0.9
83.01263	0.6
85.02802	1.1
87.00734	0.4
89.02322	2.8
95.01263	0.6
101.02325	7.7
113.02327	4.4
119.03384	5.4
125.02314	0.6
131.03386	0.6
136.07527	0.3
143.03401	0.9
156.14630	0.3
161.04512	2.8
161.05925	0.4
179.05518	0.5
180.47630	0.3
221.06671	2.5
236.01163	0.3
285.12564	0.4
301.21722	100.0
302.22073	10.0
315.23306	1.0
323.09851	0.9
343.22778	0.5
373.23416	0.3
378.74088	0.4
505.28165	0.9
625.32373	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82867	0.7
57.03310	1.5
59.00986	1.4
59.01257	17.4
59.39259	0.8
60.33868	0.8
63.59198	0.9
69.79318	0.8
71.01254	12.2
71.59815	1.5
72.99177	1.6
73.02837	2.2
75.00742	1.5
80.02535	0.9
81.03317	2.1
83.01267	2.2
83.04884	4.7
83.91329	0.8
85.02821	4.0
86.30576	0.9
87.00751	3.1
89.02319	13.7
89.83597	0.8
95.01274	1.8
95.04926	1.4
97.02828	1.9
99.00750	1.5
101.02314	13.7
109.02843	1.7
111.91412	0.9
112.90086	0.9
113.02332	8.0
119.03388	3.8
121.02861	1.3
123.00697	1.0
125.02341	7.2
135.04398	1.5
137.02339	2.4
143.03407	3.0
151.00275	1.6
159.75092	0.8
161.04454	2.6
163.03799	0.9
163.11191	4.5
165.12807	2.7
168.00592	1.0
169.01285	1.2
179.05545	3.9
181.04988	0.9
191.10788	1.3
197.04440	0.8
209.11777	100.0
210.12099	5.7
211.29660	0.9
221.06642	0.8
227.12842	18.3
228.13293	1.0
235.08176	5.7
252.09419	1.0
271.02377	1.3
301.03625	1.3
305.08835	1.0
316.02194	1.9
317.03107	1.4
397.13492	27.4
398.13852	2.0
415.14624	16.0
416.15170	2.3
463.08994	4.9
527.22375	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78413	0.3
55.01762	0.6
57.03307	0.9
58.00466	0.8
59.01249	18.8
69.03333	1.2
69.29165	1.4
69.29597	3.0
71.01252	14.7
72.01608	0.5
72.99170	1.2
73.02815	2.3
75.00747	0.6
83.01257	1.7
85.02814	3.9
87.00750	2.8
88.98676	0.5
89.01747	0.6
89.02313	11.9
89.08724	0.4
95.01255	1.1
97.02822	1.2
99.00769	0.9
99.04433	0.4
101.02326	10.0
111.07992	0.5
113.02309	5.1
115.03861	0.5
119.03387	3.2
123.97952	0.4
125.02328	3.4
127.51230	0.4
131.03378	0.6
143.03400	1.2
149.04428	0.6
161.04453	2.0
165.12770	7.4
179.05524	1.8
183.13824	58.8
184.14207	3.1
185.04420	0.6
209.11783	1.2
221.06567	1.3
227.12837	11.3
228.13106	0.6
235.08194	1.4
241.68127	0.5
265.31631	0.4
367.09116	0.5
397.13486	8.4
398.14322	0.7
415.14523	6.2
447.29083	0.5
592.58716	0.6
607.25879	1.0
625.27094	100.0
626.27441	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	625.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25558	0.4
54.49063	0.4
55.01758	1.0
57.03333	1.9
58.00478	0.6
59.01252	23.7
61.64671	0.4
61.83247	0.5
63.59374	0.5
67.88596	0.5
69.03335	1.1
71.01254	19.3
71.60268	0.7
72.99192	2.1
73.02811	2.7
75.00744	2.5
81.03375	1.1
83.01285	2.3
85.02830	6.4
87.00764	4.4
89.02320	14.0
95.01272	1.6
97.02847	1.8
99.00779	2.0
101.02322	12.9
109.99997	0.7
111.00790	0.6
111.08057	1.3
113.02335	7.5
119.03397	3.7
119.04939	1.3
121.02856	1.1
123.00814	0.6
125.02337	7.0
129.01796	0.5
133.02786	1.2
137.02386	0.8
139.00305	0.7
139.03923	0.9
143.03416	1.1
149.02310	0.6
150.03172	1.0
151.00314	1.3
151.03889	0.6
152.01042	0.8
161.02322	0.6
161.04442	2.1
161.42390	0.5
163.03883	0.7
165.05499	0.9
165.12766	11.7
165.99004	0.6
166.99808	0.5
167.03290	0.6
169.01372	3.3
175.03954	0.8
177.01834	1.2
178.99791	1.0
179.05553	1.5
183.13837	90.2
184.14183	4.4
209.08286	0.7
209.11816	1.2
221.06668	1.5
227.12834	13.1
228.13217	1.6
235.08228	2.2
243.02933	0.9
253.09100	0.6
255.02992	1.0
267.07208	1.2
271.02481	2.9
271.05515	0.6
272.03137	0.7
287.01953	1.0
299.01959	2.2
300.02716	3.6
301.03552	2.4
316.02167	3.9
317.02908	2.6
331.06778	0.6
349.97977	0.6
375.27505	4.5
376.27905	0.6
397.13470	8.5
415.14624	4.2
445.20840	0.7
463.09061	2.4
463.21750	0.7
479.08374	1.6
484.32983	0.5
581.27856	0.8
584.31226	0.5
607.25757	1.5
625.10962	2.8
625.26953	100.0
626.12518	1.0
626.27258	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	625.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	2.9
59.01001	1.0
59.01245	8.5
61.98689	2.5
69.03316	2.0
70.88432	2.3
71.01237	4.5
73.02782	1.0
75.00725	2.0
78.95777	72.5
80.91123	1.0
85.02805	2.2
89.02316	1.8
96.95875	2.8
96.96844	14.3
101.02329	2.3
111.08038	8.7
113.02316	3.5
121.02840	2.9
125.02345	5.1
135.04431	1.1
137.02330	2.0
145.02792	1.5
148.50822	1.0
150.97885	1.1
151.03891	2.4
152.99492	74.5
153.99812	1.3
169.01297	2.2
169.12199	5.6
171.00551	2.3
171.10162	1.6
177.01945	1.2
183.13832	1.2
185.11792	1.0
191.03529	1.6
197.11771	46.5
198.12155	1.7
199.13228	2.3
201.11296	1.6
209.11729	10.5
211.13391	8.0
221.08089	1.2
223.00098	7.5
227.12906	1.9
235.50668	1.2
241.01146	25.1
241.85802	1.0
248.06900	1.1
257.04498	1.2
259.02109	1.3
263.20108	1.9
280.13162	1.2
291.19611	2.7
309.20740	17.9
310.21094	2.2
315.04871	11.7
363.11768	1.1
407.71512	1.1
414.15323	2.0
510.54532	1.2
593.26770	2.5
625.26184	100.0
626.26404	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	625.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03277	2.3
59.01257	14.0
68.71239	1.9
71.01247	6.8
71.58011	2.4
72.99160	4.3
75.00710	3.1
78.95313	2.5
78.95776	48.4
79.64365	2.1
85.02833	2.0
85.06464	3.2
89.02291	6.1
95.01265	3.2
96.95895	3.0
96.96863	10.3
101.02319	4.8
107.01280	3.9
109.06439	2.5
116.97214	2.1
117.42829	2.1
119.04931	13.6
123.00759	8.8
124.86689	2.3
125.02298	7.2
126.25296	2.1
137.02321	2.1
151.00284	5.9
152.98315	3.9
152.99493	54.3
153.99817	1.9
163.03920	9.6
168.00586	2.1
169.01280	9.6
172.41016	1.9
195.13820	11.7
221.15370	6.8
223.00011	4.8
223.13371	2.9
234.95454	2.0
241.01141	20.3
256.38239	2.4
291.19598	14.0
309.20691	28.8
310.21118	2.1
311.21844	2.7
315.04788	6.0
321.37479	2.5
439.12280	2.4
442.13959	2.6
457.13336	4.8
458.13403	2.4
473.27551	5.2
625.26611	100.0
626.26874	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	625.25
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47401	2.9
57.03311	7.2
59.01253	81.2
71.01244	18.8
71.58282	4.7
73.02822	7.3
75.00734	4.9
83.01257	4.6
85.02808	15.9
87.00731	5.8
89.72744	3.3
93.03338	77.3
99.04363	4.8
101.02318	10.4
101.68640	3.3
107.01222	3.1
113.02320	9.8
115.73248	3.5
119.08598	3.2
121.02821	5.5
125.02309	15.2
137.02335	97.2
137.09607	13.7
138.02599	5.1
163.03944	4.2
166.06320	3.7
169.01324	13.4
178.99719	4.2
179.10684	7.3
181.08586	19.3
183.57237	4.2
197.11789	36.9
198.12050	3.4
223.09764	4.7
241.10834	35.0
269.06699	4.3
361.16785	6.3
383.09787	24.3
388.79584	3.1
401.10733	30.2
402.11063	7.0
410.45193	3.2
487.18301	4.0
505.20834	13.3
544.27179	12.6
544.77527	5.3
625.21368	100.0
625.30743	13.4
626.21295	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	625.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01590	1.3
60.63557	0.3
71.01270	0.8
74.56680	0.4
98.19846	1.1
98.20525	1.2
101.02345	0.4
110.16576	0.3
125.02366	0.6
125.71030	0.3
161.97583	0.4
196.41595	0.3
229.86954	0.4
347.24805	0.4
491.19675	0.7
615.16333	0.4
625.16632	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2502
Annotation	Acanthosulfate
Peak:m/z	Relative Intensity
51.91365	0.9
53.13635	0.8
54.31513	0.9
57.03326	6.5
59.01251	94.6
71.01248	11.1
71.04894	1.7
72.99187	1.4
73.02821	6.4
75.00721	1.3
78.95779	1.1
83.01228	1.7
83.04887	1.8
85.02847	5.2
85.12904	1.0
86.81915	0.8
87.00753	3.0
89.02329	2.0
96.95899	1.0
97.02808	1.0
99.00751	2.3
99.04416	2.3
101.02326	8.4
113.02347	4.8
118.72775	0.9
119.08571	4.7
125.02348	1.6
133.10068	1.2
135.08055	2.4
135.11678	1.2
137.09628	19.4
138.09970	1.1
152.99448	1.3
153.09113	1.5
161.04485	5.9
161.09641	7.7
163.07541	3.7
169.01366	1.3
179.10683	12.0
181.08630	29.2
182.09004	1.6
197.11768	42.8
198.12129	1.7
205.08578	1.9
214.03325	0.9
223.09703	13.9
241.10760	32.4
242.11087	1.3
269.10376	4.9
383.13013	1.3
401.14502	21.7
402.14746	1.7
474.83435	1.0
583.90558	1.0
607.23712	3.7
625.24994	100.0
626.25372	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	625.141
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60004	0.4
65.00200	1.0
70.78162	0.8
70.78528	0.7
71.61189	0.4
74.16859	0.4
83.01274	0.7
94.58762	0.4
107.01284	2.5
109.02861	1.0
117.03357	0.4
121.02814	1.0
125.02329	1.6
133.02853	0.9
137.02327	0.7
147.00758	0.5
149.02306	0.5
151.00272	7.1
163.00275	0.9
163.04022	0.5
165.01773	0.5
169.01332	1.4
171.04362	0.7
175.00307	0.8
175.03922	1.2
178.99780	1.7
187.03897	0.7
199.03960	3.2
201.01874	0.8
203.03351	0.6
211.03928	0.5
213.01822	0.5
215.03445	2.4
226.02693	1.2
227.03412	3.0
229.01326	0.4
229.05000	0.4
243.02943	5.0
254.02278	0.8
255.02939	2.4
271.02469	55.6
272.02826	4.8
282.01630	0.6
299.01956	100.0
299.98965	0.8
300.02542	19.0
301.03516	43.2
302.03931	3.5
313.03284	1.0
342.03558	0.4
343.04630	1.6
349.41751	0.4
462.08032	25.5
463.08789	37.2
464.09265	3.9
505.09903	1.4
603.97144	0.4
625.14075	61.2
626.14410	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	625.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	6.2
63.83744	1.2
65.00194	2.9
69.33183	12.8
69.33601	2.9
71.01246	5.0
72.99181	2.3
74.95364	1.2
83.01241	2.2
85.02821	6.0
87.00771	1.7
87.98008	1.3
89.02318	2.4
93.03315	3.0
93.42539	1.4
95.01254	2.9
99.00762	1.6
101.02303	2.0
107.01270	3.4
109.02839	1.6
109.99986	3.8
111.00771	2.0
113.02340	3.0
117.03333	1.9
119.04929	1.7
121.02831	1.3
123.00803	2.4
124.01582	2.5
125.02370	7.4
125.32484	1.3
135.04411	1.5
136.98692	2.0
137.02333	2.4
137.99475	2.1
139.00287	5.0
149.02336	1.5
151.00314	9.3
151.03932	1.6
152.01038	2.8
159.04434	1.2
161.02367	2.2
163.00223	1.7
165.98987	4.8
166.99759	5.1
168.00560	2.9
169.01297	5.1
171.04288	1.5
173.06030	1.5
175.09633	3.0
178.99709	6.9
183.04434	2.0
185.05846	1.6
187.03955	2.5
193.01405	2.2
193.03412	1.7
193.98479	2.9
194.99333	2.0
199.03970	4.1
205.01367	2.5
211.03954	2.6
215.03476	2.1
217.01405	1.4
226.02834	1.9
227.03455	12.6
229.05005	3.0
239.03491	1.9
243.02979	20.0
244.03639	3.3
253.09311	1.5
254.02180	2.8
255.02966	42.4
256.03540	4.5
257.04498	5.7
271.02469	51.6
272.03195	16.7
273.04025	2.2
282.01740	1.9
283.02472	15.3
284.03128	1.9
285.04028	6.7
299.01962	4.0
300.02740	89.8
301.03473	42.5
302.03970	2.2
311.05527	2.0
317.02869	1.7
445.07980	2.3
449.09003	4.0
521.53455	1.5
607.12897	2.8
625.14081	100.0
626.14594	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	625.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.4
57.03328	6.1
59.01253	67.7
71.01255	8.0
71.57636	1.6
72.99172	3.7
73.02809	5.6
75.00716	2.0
83.01280	1.6
83.04898	1.6
83.45831	1.4
85.02820	5.3
86.75553	1.1
87.00758	3.5
89.02308	2.4
93.03340	64.9
94.03625	1.4
96.00069	1.3
97.02818	1.7
99.00742	2.7
99.04404	2.5
101.02326	6.3
112.39525	1.4
113.02329	4.4
121.06468	1.2
125.02312	4.8
131.03384	1.5
137.02347	100.0
137.09618	11.8
138.02663	1.6
153.01877	1.3
161.09630	4.2
166.06235	2.4
169.01311	4.8
178.99731	1.2
179.10658	6.0
181.08646	15.5
197.11778	36.1
198.12138	1.3
217.05151	1.6
223.09665	7.2
241.10782	26.3
242.11189	2.9
242.37248	1.2
269.06512	3.6
303.05392	2.1
383.09906	22.3
401.10864	27.7
402.11133	1.4
411.96960	1.2
487.18274	3.8
505.20831	1.9
523.22113	2.0
544.26941	6.5
544.77362	4.9
581.24414	2.1
598.76929	1.2
607.20514	2.7
625.21350	87.8
625.30212	9.3
626.21924	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	625.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	25.0
62.21285	0.6
63.02259	0.7
65.00198	1.2
66.35126	0.6
71.01286	1.0
71.57314	1.0
81.03354	1.3
81.52211	0.6
82.38894	0.6
83.01266	1.6
104.26667	0.6
107.01279	2.8
109.02830	1.2
119.04993	0.7
121.02934	0.6
123.04408	12.3
124.01599	3.6
125.02338	11.6
136.01628	0.8
137.02356	3.9
141.24364	0.8
147.08066	4.4
151.00296	9.6
152.01016	1.1
163.00319	1.7
163.03922	1.3
164.01073	2.1
166.02629	0.9
167.03416	29.9
168.03748	1.1
169.01353	18.6
178.99788	8.8
181.05077	1.4
185.02461	0.7
191.03442	8.3
191.07063	2.0
193.01358	1.1
199.03882	0.7
203.03421	1.2
204.04112	1.1
209.04482	2.2
214.02658	7.9
215.03287	1.5
227.03407	1.0
232.03627	0.9
242.02171	7.5
243.02968	6.9
251.09221	0.9
255.02982	3.5
256.03180	0.6
259.02478	8.7
270.01663	8.0
271.02478	57.8
272.02844	5.4
274.53891	0.7
286.30026	0.7
287.01984	28.9
288.02634	4.1
299.02026	1.1
300.02719	15.5
301.03485	3.4
315.01593	1.4
316.02231	100.0
317.02811	18.6
318.03271	0.8
321.02533	5.1
329.08731	8.7
330.09091	0.9
350.34219	0.6
473.03494	2.5
548.86359	0.7
625.14087	71.7
626.14435	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	625.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	1.0
65.00182	1.4
69.03316	0.5
71.57462	0.8
74.27515	0.5
75.00746	0.5
75.81390	0.5
83.01247	1.1
97.02814	0.8
97.97069	0.5
107.01276	2.9
109.02824	1.6
124.01548	1.6
125.02340	25.3
126.02618	0.9
131.42477	0.5
134.52025	0.5
137.02345	6.2
146.87714	0.5
148.39066	0.7
150.03119	0.6
151.00278	13.5
152.00970	1.2
162.38345	0.6
163.00253	1.3
163.86107	0.6
164.01059	1.0
165.01852	0.6
165.05455	0.5
169.01337	66.6
170.01695	3.1
178.99786	11.0
187.03922	0.5
192.00616	1.1
193.01408	1.1
195.06483	1.4
199.04094	0.7
208.03575	0.5
209.11789	0.8
214.02696	3.6
223.06105	0.7
227.03441	1.0
242.02132	4.2
243.02939	2.6
255.02864	1.3
259.02466	4.0
270.01678	5.1
271.02460	27.2
272.02884	1.8
287.01981	14.4
288.02692	1.7
299.02051	0.6
300.02725	4.4
301.03506	2.2
315.01584	1.4
316.02225	82.8
317.02960	37.1
318.03293	2.8
321.02509	26.1
322.02982	2.7
397.13336	0.6
421.18750	2.1
463.08804	100.0
464.09146	11.8
473.03586	9.1
474.04324	0.7
479.08151	4.0
611.25897	0.6
625.14075	6.1
626.14636	1.1
650.86609	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	4.6
62.90034	1.8
64.48221	1.6
65.00163	2.6
71.01212	1.8
71.56837	2.6
71.57233	2.4
74.02332	4.1
83.01263	3.6
85.02771	1.9
85.91071	1.8
95.01272	2.4
101.02329	1.7
105.33798	2.1
107.01221	5.1
109.02811	7.1
109.99960	7.1
111.00784	2.9
123.00766	3.8
124.01505	5.0
125.02335	42.3
136.98753	2.2
137.02322	6.2
137.99518	3.2
139.00269	12.7
139.03830	3.0
145.02892	2.2
149.02336	2.4
151.00253	12.9
151.03888	2.1
152.01045	6.5
153.01837	3.6
155.04939	2.0
159.04401	2.1
160.18599	2.0
161.02286	2.3
163.00291	5.3
164.01068	3.2
165.01807	2.6
165.05507	2.0
165.98969	13.4
166.99730	4.5
169.01332	97.8
170.01721	2.5
171.04376	3.1
175.03920	3.7
178.99777	13.6
181.04900	2.1
189.01848	3.2
191.03435	2.0
193.98409	2.2
194.99254	2.0
195.06483	3.8
198.03096	2.3
199.03876	7.8
201.01872	2.5
203.03392	4.3
203.08195	5.0
211.03925	2.3
214.02560	2.5
215.03395	4.1
216.04227	1.9
223.63911	2.0
226.02693	2.3
227.03424	7.5
231.02853	4.0
242.02150	4.3
243.02908	13.3
244.03635	3.2
245.09331	8.8
255.02928	10.0
259.02374	5.4
270.01660	7.8
270.99765	3.9
271.02472	51.2
272.03058	8.6
273.04108	3.9
287.01959	21.7
288.02481	10.3
299.01941	47.0
300.02469	7.1
301.03513	5.0
315.01370	4.4
316.02228	72.4
317.02957	37.5
320.98776	2.2
321.02512	44.6
322.02740	4.4
361.12558	2.6
391.14203	3.0
421.18643	25.9
422.18921	2.0
473.03540	12.8
474.03836	2.8
559.34460	2.3
607.12659	3.0
625.14001	100.0
626.14764	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.12
Annotation	Quercetin 3-(6''-caffeylgalactoside)
Peak:m/z	Relative Intensity
59.01251	5.1
65.00195	2.9
66.54147	0.8
70.64028	1.1
71.01263	4.9
78.50969	1.1
79.99094	0.9
83.01236	2.1
85.02824	2.0
87.00726	1.1
88.98672	1.5
98.20576	2.1
101.02319	1.7
107.01256	4.6
109.02824	2.0
113.02351	2.4
119.04908	1.4
121.02867	4.6
125.02307	3.2
133.02835	3.2
135.00781	1.1
135.04372	2.6
137.02306	2.1
143.05078	1.1
148.01587	1.9
149.02299	1.4
150.03122	2.1
151.00266	18.4
161.02370	7.9
163.00313	2.4
163.03899	1.8
164.00955	1.5
165.05363	1.3
169.01357	1.7
178.99800	6.7
179.03337	1.2
190.42741	1.0
199.03957	1.5
211.03862	1.0
226.02583	1.2
227.03426	3.3
243.02972	12.2
254.02278	1.6
255.02982	26.6
271.02478	61.3
272.02859	5.6
273.03979	1.6
283.02496	2.4
287.02014	2.8
299.02014	2.2
300.02747	100.0
301.03488	56.2
302.03918	4.9
316.02182	7.4
317.02823	1.3
323.07712	2.2
405.10083	1.1
405.98914	1.1
463.08820	83.5
464.08987	9.7
479.08243	4.0
521.32996	3.4
625.11902	44.7
625.22125	1.6
625.30280	3.0
626.12122	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	623.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	2.3
57.03319	4.1
58.00443	1.4
59.01252	21.8
69.03318	2.7
69.93008	3.9
69.93422	1.4
71.01256	23.2
71.04897	1.0
72.99167	1.8
73.02832	5.6
81.03323	1.4
83.01255	3.7
83.04899	4.2
85.02834	6.2
85.99988	1.7
87.00749	10.3
89.02320	11.9
89.02846	1.6
95.01257	3.2
95.04885	1.6
97.02831	2.2
97.06483	1.2
99.00742	1.8
101.02322	16.6
109.06489	2.8
111.08049	3.0
113.02325	10.2
119.03382	2.9
125.02344	3.3
135.08047	3.2
137.09593	2.3
145.04938	4.4
161.04439	4.4
163.11159	1.3
177.68486	0.9
179.05539	1.5
187.05920	1.2
203.14478	1.8
213.14844	2.0
231.17465	2.7
235.08191	15.3
236.08333	1.2
237.14993	1.4
239.16475	3.3
247.16939	1.1
251.16376	1.2
265.18240	1.9
275.16525	2.5
315.26880	4.6
325.25299	6.7
326.25653	1.3
341.20987	1.1
341.24637	5.0
343.26459	8.5
344.26846	1.3
351.23358	2.6
359.25824	14.7
361.27301	2.0
369.24323	18.3
370.24817	2.3
377.26910	1.2
387.25394	72.6
388.25729	9.3
405.26431	57.0
406.26846	7.7
461.28830	1.6
479.29959	3.7
595.34869	2.9
623.34332	100.0
624.34662	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	623.3436
Annotation	Caribenolide I
Peak:m/z	Relative Intensity
55.01754	1.4
57.03326	3.2
58.00465	1.5
59.00948	1.4
59.01253	25.1
63.90316	0.8
69.03326	3.0
69.29793	7.8
69.30209	1.4
71.01257	28.8
71.04888	1.2
72.67240	0.8
72.99184	2.4
73.02826	8.0
77.53959	0.9
81.03296	2.1
83.01255	5.1
83.04887	2.0
85.02824	10.6
85.99996	1.0
87.00745	10.4
89.02319	13.5
91.03891	1.3
95.01269	2.5
95.04879	1.9
97.02839	3.0
97.06478	2.0
99.00764	2.6
101.02327	19.4
107.04890	1.5
109.06461	4.2
110.14709	1.0
111.04367	0.9
111.08044	3.2
113.02328	11.4
119.03374	2.6
119.04938	0.9
119.28928	0.9
123.08021	1.0
125.02328	3.2
133.04956	1.2
135.08041	2.0
137.09636	2.2
139.03961	1.1
143.03375	2.0
145.04958	5.1
149.16881	0.9
157.12236	0.9
161.04434	6.1
161.09602	1.0
179.05481	2.5
179.14400	1.1
203.14473	2.3
205.15895	1.3
211.13312	1.5
213.14882	2.7
221.15462	1.4
231.17538	2.1
233.19273	1.0
235.08215	17.8
235.17232	1.0
237.14983	1.8
237.18611	1.7
239.16476	4.1
241.18053	2.4
247.16971	1.1
261.18582	1.1
265.18164	1.3
267.19730	1.0
275.16476	2.5
277.18021	1.1
303.16840	1.1
315.26898	4.7
317.28488	1.5
325.25375	10.5
333.28107	1.2
341.24832	5.4
343.26340	10.6
344.26605	0.9
351.23190	5.0
359.25931	14.2
360.26157	1.5
361.27441	3.1
369.24384	20.3
370.24832	2.3
377.26886	2.0
387.25415	73.8
388.25589	9.4
405.26447	59.2
406.26807	7.1
461.28714	1.0
479.30124	3.0
595.34839	2.9
605.33679	1.8
623.34375	100.0
624.34705	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	623.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03049	1.2
57.03327	22.1
59.01250	6.1
59.96390	0.6
69.43152	5.7
71.01245	2.7
72.99185	0.5
73.02836	3.2
77.87611	0.6
78.95782	3.3
82.63055	0.5
92.01949	0.7
96.95894	0.7
96.96850	1.4
98.19771	1.1
99.04398	20.7
101.02328	8.8
110.88318	0.5
113.02333	0.7
113.44335	0.5
123.04417	1.9
125.02345	17.8
126.02746	1.0
143.03377	0.9
152.99403	1.2
161.04443	1.0
161.16356	0.6
169.01285	0.9
192.07478	0.5
255.10321	0.9
305.08789	5.1
317.21204	100.0
318.21564	9.3
330.05890	1.5
331.22699	4.2
332.23056	1.0
359.22330	1.3
579.31610	0.7
581.26062	0.8
582.84021	0.6
623.30676	5.5
624.31433	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	11.0
58.00453	3.1
59.01253	97.9
68.80851	1.5
69.03334	2.4
71.01254	23.1
71.04912	1.5
71.60558	2.7
72.99173	5.9
73.02832	12.0
75.00742	8.3
83.01252	3.2
85.02827	17.3
87.00756	4.9
89.02309	7.0
90.14861	1.5
90.97908	1.8
93.03338	2.7
94.21820	1.6
94.87821	1.6
95.01292	2.8
96.95920	1.9
99.00768	5.7
101.02329	10.3
108.02050	4.0
109.02811	5.0
111.08015	2.8
112.68856	1.6
113.02346	16.6
116.92738	6.8
117.92751	3.5
118.92548	2.6
119.03423	1.8
121.02847	1.9
123.04393	2.1
123.08022	5.6
125.02342	6.4
127.11088	2.7
135.04454	1.8
137.02324	2.7
137.09618	6.0
139.11194	2.0
149.02377	2.2
149.09610	13.5
151.00293	4.1
151.03838	1.4
152.01099	3.6
153.01852	3.3
155.10625	2.5
161.04451	4.0
163.03906	3.0
167.03178	2.9
167.10718	11.7
169.01355	2.9
174.30898	1.6
177.01738	2.6
181.04991	6.0
182.05260	2.2
185.11722	2.3
187.13309	2.7
195.13840	2.9
215.56763	1.9
217.14316	2.0
231.15987	100.0
232.16331	4.5
245.55565	1.7
249.06046	2.0
267.07205	2.7
268.07227	1.7
281.87256	1.7
285.03900	2.5
305.16010	5.7
317.15988	3.2
335.17181	1.7
347.17120	3.1
361.16632	2.5
419.16345	3.6
446.72070	1.9
519.14941	2.1
519.31958	8.0
537.32593	2.1
593.17517	2.3
623.18182	1.9
623.29047	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	623.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35978	0.4
57.03343	0.7
59.01247	5.8
69.87529	1.4
69.87942	1.7
83.01276	0.7
86.15868	0.5
101.02341	0.7
107.01295	1.1
109.02853	1.0
113.02304	0.9
124.01581	1.1
125.02347	1.0
134.03601	0.6
137.02344	4.7
139.00237	1.1
145.02869	2.6
146.03566	0.5
147.04443	2.3
151.00255	2.8
151.03902	4.5
152.01054	0.6
152.04767	0.7
153.01895	1.3
161.02383	1.0
161.05965	1.4
162.03088	0.6
163.03906	5.8
164.04709	0.7
165.01840	1.2
166.06268	0.8
167.03386	0.9
173.02354	1.3
173.05937	0.8
174.03162	4.4
175.03912	17.0
176.04643	4.2
177.01897	0.6
177.05516	1.8
178.02759	0.8
179.03450	1.6
179.07019	1.2
180.04205	11.3
181.04922	1.1
183.04459	0.9
188.04712	3.3
189.05493	6.7
190.06274	22.8
191.03313	0.7
191.07063	14.9
192.04182	0.9
192.07393	1.0
193.04976	9.6
194.05769	8.5
198.05299	0.5
199.03931	3.0
201.01805	0.7
203.07057	3.5
205.08629	16.6
206.05827	0.8
206.08965	1.4
207.06546	9.0
208.07359	11.6
209.07840	0.7
215.03416	1.4
222.09000	1.7
223.06070	0.7
223.09669	1.3
227.03493	3.1
228.04016	0.8
241.99631	0.5
242.02258	1.5
243.02960	12.1
244.03593	1.4
255.02989	8.9
256.03406	1.7
257.04330	1.5
270.01727	2.0
271.02475	20.9
272.02899	2.7
275.96350	0.6
284.03400	1.5
285.03961	3.6
286.04193	1.5
286.92551	0.5
287.05252	0.6
299.01968	19.4
300.02701	16.2
301.03207	1.0
313.03442	0.8
314.04330	16.9
315.05103	35.2
316.05344	3.1
337.10526	0.5
359.11377	1.2
374.13779	2.1
389.16068	100.0
390.16373	9.6
419.17349	1.3
437.02295	0.6
476.06656	0.6
602.66895	0.6
623.16083	29.8
624.16235	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	623.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	1.7
59.01254	12.4
63.91723	1.1
71.01254	9.1
71.59869	1.4
72.99197	1.9
73.02816	3.2
75.00758	2.3
81.03348	1.4
83.01263	1.6
84.02069	1.4
85.02836	8.6
87.00752	2.4
87.15833	1.2
88.98673	8.6
89.02325	4.4
91.03650	1.1
93.03342	1.8
95.01225	1.5
95.15098	1.6
97.02899	1.6
99.00770	2.0
101.02330	3.8
109.02840	3.1
113.02345	5.4
119.03441	1.6
119.04956	2.6
121.02858	2.4
123.00806	3.3
123.04454	1.8
125.02337	7.6
136.01558	47.3
137.02426	6.7
138.03247	1.3
147.04434	1.3
149.02408	1.7
149.05957	2.1
151.00287	15.5
151.03915	61.1
152.00975	1.5
152.04402	2.5
153.01823	2.1
162.03221	2.4
163.03923	4.2
165.09088	1.3
166.02631	35.0
167.03337	4.6
169.01347	1.6
175.03944	4.0
176.04793	1.9
177.01849	3.1
179.03476	1.7
181.04987	47.1
181.06541	2.8
182.05333	2.2
183.91583	1.3
189.05539	3.7
190.06265	3.9
191.03471	5.5
193.04926	1.8
197.04651	1.3
205.05020	2.6
206.05800	4.8
219.06726	2.6
221.08089	7.7
231.70622	1.3
233.08197	2.6
235.39601	1.2
251.09186	13.6
252.09254	1.5
275.09335	3.3
276.90991	1.5
329.10327	2.6
339.08850	2.0
342.10904	2.0
354.11258	3.1
357.09766	14.2
357.13562	10.3
369.13467	10.7
372.12070	10.4
387.14499	100.0
388.14847	8.8
391.32352	1.4
413.14496	19.0
414.14685	1.8
461.18054	1.3
505.11334	1.3
519.31824	3.8
533.18896	5.0
593.22302	8.2
605.22345	5.1
623.21948	18.6
624.24146	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	623.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95571	1.6
57.03320	3.7
59.01250	100.0
68.85302	1.7
68.99660	2.5
69.17680	2.0
69.30286	17.8
71.01257	39.4
72.10875	1.8
72.99177	8.7
73.02824	8.1
75.00745	30.8
83.01266	3.3
83.60559	2.1
84.02101	1.7
85.02821	39.2
87.00745	12.1
88.16179	1.9
89.02323	10.2
95.01259	8.4
99.00753	13.4
101.02303	8.5
103.00241	3.4
108.01991	2.3
111.00768	3.1
113.02328	29.7
113.09436	1.7
114.02604	1.9
115.00250	3.9
117.01833	3.1
125.02348	5.2
129.01848	3.4
137.02313	3.4
139.00282	2.5
149.02368	1.9
150.03087	3.0
151.00246	2.9
161.04425	2.6
169.01419	2.3
175.02388	3.9
183.04466	2.2
189.13046	1.6
193.03412	2.3
199.04025	3.1
205.07111	1.9
207.13821	5.1
211.03923	2.4
225.11244	4.0
225.14886	4.0
227.03387	4.1
227.12766	2.0
249.06105	33.1
255.02980	49.2
256.03519	4.7
267.07245	17.3
270.05313	26.3
271.05878	7.2
277.05588	3.4
285.07690	34.9
286.07849	5.1
309.08255	5.9
333.95844	1.9
378.68063	2.1
448.10226	2.9
457.20584	4.1
475.21915	37.4
476.22293	3.4
498.91718	2.1
519.20697	30.9
519.31909	7.9
520.20959	4.3
524.98090	1.9
537.21228	3.1
579.22943	42.6
580.23505	3.2
605.14862	2.2
623.15936	15.3
623.28137	5.8
624.18262	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	623.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13561	0.7
57.03326	1.3
59.01258	8.0
61.93586	0.7
63.06295	0.7
65.00197	0.9
66.64342	0.6
69.30355	2.3
69.30776	5.3
70.74239	0.7
71.01263	3.1
72.99208	1.5
73.02820	0.8
75.00758	2.4
83.01263	0.9
85.02837	4.2
87.00764	1.6
88.98685	3.5
89.02324	1.8
98.20506	1.4
98.95467	0.8
99.00782	0.9
99.84291	0.7
101.02336	1.7
104.00063	0.7
107.01261	0.8
108.02052	1.6
109.02882	0.8
113.02373	2.6
119.04935	0.9
125.02331	2.1
126.43304	0.8
129.01807	0.7
135.04401	0.8
137.02417	0.9
143.04898	0.8
147.04430	0.8
148.01634	0.9
151.00323	4.7
151.03952	2.2
152.01080	2.1
153.01761	1.1
163.00327	0.9
163.03944	1.2
165.01837	1.3
167.03467	0.7
175.03940	2.3
176.04633	0.8
180.04228	1.5
182.12614	0.7
183.04477	1.1
188.04716	0.9
189.05489	1.2
190.06313	3.4
191.07095	2.0
193.03499	1.0
193.05051	1.3
194.05762	1.4
199.03969	3.3
205.08621	2.9
207.06679	0.8
208.07404	1.4
215.03485	2.1
227.03470	5.6
228.04201	0.8
242.02174	3.1
243.02954	22.0
244.03525	1.9
255.02951	16.8
256.03491	1.5
257.04593	3.5
259.06094	1.2
270.01822	3.6
270.04538	0.8
271.02481	42.2
272.02997	5.8
285.04025	5.6
286.04730	2.0
287.05618	2.5
299.01965	42.7
300.02719	35.7
301.03214	3.8
313.03534	1.2
314.04321	29.8
315.05112	100.0
316.05405	7.6
357.06198	1.1
379.09094	0.8
389.16080	17.3
390.16571	1.2
447.11371	0.8
579.23065	1.3
623.16162	68.1
623.25256	2.8
624.16516	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	623.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.8
59.01247	3.4
66.70483	0.8
69.36950	5.2
69.37376	3.0
76.32470	0.7
77.94860	0.8
103.87761	0.9
107.01279	1.0
119.45605	0.8
137.02385	0.9
147.04437	1.4
148.01788	0.8
150.84200	0.8
151.00301	4.4
151.03886	2.0
153.01807	1.0
155.32954	0.9
163.03905	3.4
164.04561	0.8
169.46306	0.9
171.04329	0.9
174.03134	1.0
175.03952	4.9
176.04704	1.5
179.06984	0.9
180.04143	2.6
183.04356	1.6
188.04758	1.6
189.05478	3.3
190.06291	9.4
191.07037	4.6
193.04965	3.4
194.05713	3.0
199.03915	5.2
205.08612	7.7
207.06538	2.8
208.07355	4.3
215.03339	2.3
227.03464	5.1
228.04073	0.9
242.02132	2.6
243.02960	24.1
244.03488	3.4
253.50859	0.9
255.02968	15.7
257.04489	3.6
270.01721	2.4
271.02466	41.9
272.02997	6.4
285.04044	6.4
286.04620	1.8
287.05698	2.0
299.01947	42.5
300.02710	44.9
301.03098	4.2
314.04327	35.3
315.05087	100.0
316.05515	7.3
389.03021	1.0
389.11026	1.7
389.16049	34.6
390.16321	2.4
623.16119	58.8
624.16479	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	623.1411
Annotation	CHEMBL233903
Peak:m/z	Relative Intensity
51.88398	1.2
57.03310	3.6
57.03644	1.4
59.01252	26.6
69.03307	1.4
69.37866	11.4
69.38278	2.2
71.01256	17.2
72.99191	4.2
73.02831	3.5
75.00748	8.8
81.03346	1.3
83.01254	6.1
83.04904	1.6
85.02825	16.7
86.18193	1.3
87.00757	3.7
88.98689	4.2
89.02318	7.0
95.01263	3.1
96.95901	4.6
97.02832	1.7
98.19761	2.3
99.00765	4.0
101.02325	4.3
107.01275	3.7
108.02125	1.6
109.02840	3.2
113.02324	12.4
117.01802	1.6
117.03350	4.4
118.17180	1.3
119.03403	1.4
119.04916	6.0
124.01504	2.0
125.02304	8.7
133.02853	1.4
135.04372	3.2
137.02327	2.4
139.00319	1.3
141.03319	1.4
145.02866	15.3
149.02406	2.4
150.03111	3.1
151.00302	8.3
151.03830	1.4
152.01048	1.6
159.04482	1.5
160.01608	2.8
161.02318	3.2
161.06052	1.3
163.00293	1.9
163.03960	3.1
164.01056	1.9
165.05432	2.2
169.01350	4.1
175.02423	2.4
175.03908	3.0
176.46843	1.6
177.01831	2.8
179.03397	2.1
183.04515	3.1
187.03989	3.2
193.05095	2.2
195.06601	2.6
199.03879	7.9
203.03423	1.5
211.03929	2.2
215.03448	2.7
227.03426	22.6
228.04021	2.2
229.05038	2.8
242.02209	3.8
243.02937	25.0
244.03592	3.5
255.02963	41.9
256.03638	5.6
257.04541	5.1
270.01871	2.3
271.02502	44.7
271.05493	2.3
272.03040	6.4
275.33624	1.6
283.02570	2.3
284.03271	25.2
285.04004	40.9
286.04599	4.6
287.05685	1.7
298.99252	0.9
299.02008	55.7
299.05652	3.9
300.02716	41.1
301.03271	5.6
307.08252	7.6
314.04276	36.1
315.05084	100.0
316.05524	6.2
323.07657	7.5
435.57767	1.4
447.08655	1.6
447.25818	2.3
459.56509	1.7
477.10394	2.7
503.32904	2.2
519.20630	2.0
579.26489	3.5
579.34772	1.7
623.14117	99.3
623.28442	8.7
624.14264	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	623.1256
Annotation	Luteolin 7-glucoside-3'-glucuronide
Peak:m/z	Relative Intensity
55.67570	0.3
57.03318	1.1
59.01252	4.5
65.00175	0.5
67.01760	0.4
67.99802	0.3
68.99706	0.4
70.78779	0.5
70.79088	0.3
71.01257	7.9
72.99181	1.4
73.02811	0.9
75.00738	2.2
83.01284	0.8
85.02342	0.7
85.02827	9.7
87.00743	1.4
89.02292	0.7
93.03318	1.3
95.01276	3.1
96.95868	0.3
99.00767	2.8
101.02325	0.3
103.00270	2.6
107.01256	1.1
109.02840	0.7
111.00738	0.3
113.02335	16.6
114.02647	0.3
115.00225	0.7
115.23695	0.3
117.01808	1.4
117.03339	0.4
119.22595	0.3
129.01794	0.5
135.00742	0.5
137.02335	0.6
139.00237	0.8
143.04942	0.5
151.00273	1.9
154.04124	0.8
159.04378	0.4
161.02411	0.5
163.00278	0.9
165.01942	0.4
167.04854	0.4
169.01350	0.6
169.06548	1.1
171.04512	0.4
175.02397	4.3
185.06004	1.3
187.03897	1.1
189.05443	0.6
211.03903	0.9
213.05499	1.0
214.02597	0.6
215.03365	0.9
227.03474	2.1
229.04959	1.6
239.03494	0.7
243.02928	0.4
255.02974	2.6
256.03366	0.4
257.02194	0.3
257.04654	1.1
269.04535	0.7
271.06088	0.4
281.04446	0.7
284.03210	2.8
285.04047	100.0
286.04416	8.2
297.04092	0.8
299.05499	0.3
309.04172	0.4
327.05112	4.2
359.10861	0.4
373.12894	0.5
404.14539	0.3
419.17194	1.6
442.67346	0.4
447.09326	14.2
448.09766	2.0
448.15469	0.3
461.07077	3.3
462.07611	0.4
528.48718	0.3
558.90460	0.3
601.31012	0.3
623.12213	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	623.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61037	0.3
57.03299	0.4
59.01256	2.1
63.02266	2.2
65.00201	3.5
66.52943	0.3
69.45152	3.1
71.01257	0.9
79.54630	0.4
83.01265	2.5
85.02816	3.1
91.01781	0.5
93.03333	1.0
95.01244	0.5
100.92146	0.3
101.02335	0.5
107.01274	7.4
107.70523	0.4
109.02843	3.8
111.00792	0.6
111.26863	0.4
113.02338	4.0
115.00240	0.6
119.01283	0.4
121.02857	6.9
125.02387	0.5
135.04393	0.3
139.03914	0.9
145.39453	0.3
149.02357	0.5
151.00278	29.4
152.00571	1.1
157.01344	0.7
159.04436	1.0
163.00273	4.9
163.03882	0.4
164.01088	0.6
167.04907	0.4
169.01364	1.9
169.69914	0.4
175.03981	0.6
178.98190	0.6
178.99788	12.8
180.00035	0.4
183.04474	0.6
185.05981	0.5
187.03850	0.5
190.99890	0.5
193.01329	0.8
199.03998	0.6
201.05519	1.3
203.03452	0.4
211.03915	1.6
215.03476	0.5
227.03459	1.7
229.05008	1.8
239.03481	0.9
243.02908	0.9
245.04529	3.4
255.02946	4.9
256.03503	1.0
257.04483	0.7
271.02472	2.5
273.04080	2.4
273.22714	0.4
283.02533	2.1
299.02094	0.6
300.02740	3.1
301.03531	100.0
302.03903	8.4
311.69803	0.4
321.08322	1.3
415.06851	1.3
459.05591	0.7
504.87335	0.4
553.61664	0.4
623.02582	0.5
623.12500	7.1
624.12482	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12466	0.7
57.41370	0.6
59.01250	3.2
60.57842	0.6
61.56828	0.6
63.02256	2.2
65.00192	3.8
69.48499	5.7
71.01262	1.4
72.99181	0.8
73.02783	0.7
83.01275	3.4
84.63272	0.7
85.02815	4.3
89.02319	0.7
90.04078	0.6
93.03325	0.8
95.01247	1.2
97.98284	0.6
101.02309	0.7
107.01267	7.3
109.02853	4.2
111.00774	1.0
112.10992	0.6
112.50045	0.6
113.02336	4.9
115.84235	0.6
117.20206	0.6
119.01243	1.0
121.02847	7.3
125.02357	0.7
140.63028	0.6
148.01614	0.7
149.02390	1.6
151.00276	29.0
157.01297	0.7
159.04364	1.0
161.02377	0.8
163.00307	4.8
163.03934	0.9
169.01341	2.0
178.99788	13.7
183.04349	0.8
201.05556	1.4
211.03986	1.3
227.03448	2.1
229.05078	1.3
239.03360	0.8
240.83159	0.7
243.02934	0.8
245.04468	3.3
255.02933	6.2
271.02463	2.1
273.04089	2.6
283.02435	2.4
300.02701	3.7
301.03525	100.0
302.03961	7.1
321.08209	1.4
415.06665	1.0
516.11182	0.7
585.94873	0.7
623.12604	7.4
624.12909	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03294	1.4
59.01250	96.1
70.00777	5.1
71.01255	10.5
72.99188	2.0
73.02826	5.2
75.00767	1.0
78.95786	1.4
83.01250	1.8
83.38364	1.0
85.02798	6.1
89.02299	5.1
96.95902	6.2
98.19855	1.4
99.00772	2.3
101.02305	8.0
102.64986	1.1
113.02356	6.0
119.03337	1.4
125.02348	2.6
143.03409	1.2
151.48605	1.1
161.04535	1.9
169.01317	1.4
221.11961	1.2
232.72305	1.2
246.81799	1.2
277.21744	2.7
421.25565	2.1
439.26874	3.4
457.28040	5.8
475.29092	2.5
535.31201	1.5
573.34314	1.4
577.32245	100.0
578.32513	13.2
603.07056	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97521	1.4
54.10117	1.5
55.01760	1.8
55.84423	1.5
57.03317	1.5
57.66335	1.8
59.01250	100.0
64.97066	1.4
69.35586	12.8
69.35998	4.0
71.01254	14.6
73.02808	5.4
75.00755	2.0
78.95772	1.7
83.01260	4.5
85.02811	6.0
89.02322	3.1
95.01234	2.0
96.95886	2.9
97.63078	1.5
99.00760	3.2
101.02335	8.5
113.02329	3.7
119.03376	2.2
125.02346	3.8
137.02350	4.9
161.04503	1.4
169.68091	1.6
170.76703	1.4
195.06551	3.4
197.15082	1.7
203.28432	1.6
218.29398	1.7
223.13306	9.4
277.21832	1.9
397.13550	4.6
415.15070	3.2
439.26804	6.0
457.28336	7.5
475.29074	2.5
529.42236	1.7
535.31268	2.1
577.32251	84.9
578.32568	12.9
584.09247	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	621.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.7
57.21895	0.4
57.26544	0.4
59.01241	1.1
65.00199	0.7
65.53638	0.3
69.88319	0.9
69.88744	1.5
71.01259	0.4
78.95793	0.6
81.03337	4.8
81.76987	0.4
83.01266	2.7
83.53803	0.4
95.04902	1.3
98.20272	1.0
107.67036	0.3
112.13033	0.3
121.02848	0.6
123.04410	31.6
124.04731	1.2
125.02350	4.9
131.01210	0.5
135.04422	0.4
135.83978	0.4
137.02354	0.6
138.55011	0.5
149.02362	1.2
151.00288	1.7
151.03926	0.7
163.03896	0.8
166.02559	0.5
167.03413	100.0
168.03758	3.2
175.00272	0.7
179.03334	0.4
181.05003	1.4
191.03418	18.0
192.03842	0.7
209.04497	5.8
217.00240	0.4
221.04521	1.1
233.04459	0.5
236.15437	0.4
282.85336	0.4
374.98962	0.7
479.22705	0.4
621.29376	3.0
622.28802	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62930	0.6
55.01752	1.1
57.03316	2.3
58.00465	1.1
59.01255	37.4
69.03313	4.2
69.47494	2.1
69.47906	2.9
71.01258	25.0
71.01842	0.7
71.04877	1.2
72.99181	2.4
73.02819	4.4
75.00755	2.9
78.20113	0.6
79.32626	0.6
81.03300	0.9
81.59216	0.6
83.01250	3.1
83.04901	0.9
85.02828	8.3
85.04275	0.6
87.00743	5.4
89.02322	26.3
95.01269	2.4
95.04894	0.7
96.95881	4.7
97.02859	2.9
98.95482	1.0
99.00756	1.8
101.02326	20.6
107.01264	0.7
109.06489	1.1
111.04382	1.1
113.02329	10.5
115.03898	0.6
119.03393	8.1
119.04874	1.3
121.02766	0.9
123.04430	0.8
124.01555	0.7
125.02356	8.2
131.03432	1.1
133.04955	0.9
137.02319	1.2
139.03914	0.6
143.03456	4.0
149.02409	0.6
149.04439	0.9
150.03105	1.4
151.03926	0.8
161.04469	5.1
163.03986	0.9
165.05498	1.8
167.10667	3.9
169.01360	1.3
179.05556	4.8
179.10617	0.7
179.14349	3.5
195.06522	1.7
195.13844	13.1
205.12292	11.1
206.12643	0.8
217.07106	1.0
221.06624	1.8
223.13354	100.0
224.13702	6.2
235.08199	7.2
253.09346	1.5
263.07718	1.1
287.07690	1.9
305.08792	2.0
306.62027	0.6
323.09698	0.7
379.12460	0.8
397.13507	56.6
398.13867	4.3
398.98148	0.6
415.14569	32.5
416.15060	2.5
489.19598	0.8
530.31750	0.7
537.21338	1.4
577.32178	6.7
578.32776	1.3
595.83667	0.6
621.27881	6.0
625.07794	0.6
639.50403	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.2
59.01245	1.0
64.88624	0.2
71.01245	0.4
75.00738	0.4
79.95614	3.0
83.01260	0.3
85.02840	0.2
87.00762	0.2
89.02278	0.2
96.95893	100.0
97.95833	0.3
99.00783	0.3
101.02384	0.2
112.76158	0.2
113.02319	0.5
125.02335	1.3
127.71103	0.2
165.09071	0.3
169.01347	1.4
195.06453	0.3
209.08118	1.6
211.02469	0.2
313.05557	0.6
523.14569	4.4
524.14972	0.2
530.30072	0.2
561.09003	0.9
593.08344	0.2
621.10889	0.4
621.33221	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	9.3
71.01252	4.7
72.99191	1.4
74.78958	0.8
75.00746	3.7
83.01289	1.1
84.02028	0.9
85.02827	4.0
89.02348	1.2
89.81416	0.8
93.03374	1.0
95.01283	1.0
98.20535	2.7
98.93249	1.1
99.00742	2.2
101.02320	2.0
108.16812	0.8
109.02812	2.3
111.60185	0.8
113.02323	5.0
123.00778	2.9
125.02332	3.1
136.01563	1.0
137.02341	12.0
149.02380	2.2
151.00272	26.7
151.03922	2.6
152.01009	1.9
152.04663	2.9
157.01334	1.2
163.03856	1.1
165.01816	1.6
166.02626	68.1
167.03323	4.7
169.01407	1.1
175.03830	1.2
177.01852	3.5
179.03564	1.3
181.04987	81.9
182.05313	3.4
191.03357	1.1
192.04185	2.1
193.04907	2.1
205.05028	1.2
207.06575	2.1
225.05536	4.1
226.06230	3.1
241.08659	14.1
242.09103	2.3
316.40756	1.2
359.11270	2.2
387.10834	17.7
388.11063	2.8
402.13297	7.6
417.15530	100.0
418.15918	11.8
573.85889	1.0
621.18176	6.3
621.27277	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.1
59.97679	0.9
70.07127	5.4
71.01246	3.1
72.99190	1.2
78.95780	3.0
79.74727	1.0
83.01238	1.9
87.00729	1.3
95.01267	1.7
98.20124	2.4
101.02324	2.0
107.01255	4.1
111.00749	3.7
123.00770	14.1
124.01537	2.3
125.02341	22.8
127.00248	1.7
136.98709	3.6
139.00266	5.9
140.01038	7.9
141.01825	3.2
149.42667	0.9
151.00293	8.2
151.03865	1.3
152.99469	1.8
161.04332	1.1
168.00566	15.1
168.99968	2.1
169.01337	26.5
170.56413	0.9
171.10231	1.9
172.67744	1.0
174.30786	1.0
177.03922	2.2
211.02461	5.7
215.11613	1.2
271.04535	1.6
276.90384	1.0
304.66968	1.0
525.65533	1.2
525.72754	1.2
581.33447	1.0
619.31232	100.0
620.31708	16.5
648.45886	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12155	4.5
58.71392	4.6
70.77678	7.9
70.78025	9.3
75.81293	4.5
78.95782	56.3
99.37534	4.5
152.99510	26.6
209.11777	11.2
255.23260	39.4
258.91321	6.7
366.72263	5.2
391.22574	13.9
409.23978	5.1
415.15964	5.8
416.16553	15.2
459.18213	100.0
460.18518	13.4
473.19736	16.4
483.90018	5.1
518.19592	38.6
519.19995	10.1
532.21252	11.0
533.22003	92.8
534.22412	6.4
555.04376	6.0
587.23193	6.4
619.25702	60.2
619.35956	17.7
620.26074	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	619.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.4
64.13187	0.8
67.01776	0.9
69.03320	0.7
69.23380	5.0
69.23811	3.7
71.01255	3.8
72.99171	0.9
78.95796	3.5
79.01736	1.4
81.03345	0.8
83.01266	1.6
85.02841	0.8
86.69868	0.7
89.02346	0.9
95.01276	1.6
96.95978	0.8
97.02836	1.0
98.20479	1.8
101.02332	0.9
105.19958	0.8
107.01269	4.1
111.00773	4.5
113.02335	1.3
123.00768	14.7
123.04379	5.4
124.01588	1.6
125.02337	17.6
127.00262	1.5
136.98697	3.0
139.00278	6.2
139.44823	0.7
140.01067	6.3
141.01817	3.3
149.94292	0.7
151.00272	9.0
152.99466	1.7
153.01830	0.7
167.03410	14.9
168.00571	13.1
169.01343	22.5
170.01738	0.9
171.10197	1.0
177.03972	0.9
179.03314	0.8
191.03421	2.7
211.02480	6.1
239.29774	0.9
248.15262	0.7
305.08136	0.8
313.05746	1.1
335.46344	0.8
544.14978	0.9
619.31232	100.0
620.31555	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	619.2558
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
54.90191	1.0
55.16278	0.9
56.21306	1.0
69.91335	0.9
78.95789	5.6
83.84335	1.0
84.98502	1.1
91.93829	1.1
98.19644	1.9
117.32731	1.0
148.44434	1.0
151.98102	1.0
152.99525	2.9
180.72224	1.1
227.12863	1.6
255.23306	4.4
401.14087	3.1
415.15805	4.3
416.16443	14.7
417.16907	1.4
429.17645	1.7
430.17932	3.1
431.18423	1.4
434.17651	1.5
459.18243	98.2
460.18570	16.3
473.19910	13.7
474.20435	6.0
483.91846	1.2
501.20145	1.8
503.17188	3.1
518.19543	47.8
519.19781	8.0
532.21051	11.7
533.21924	100.0
534.22168	15.6
543.20074	1.2
587.22736	5.3
588.23511	1.6
619.25610	69.3
619.35364	2.6
620.25806	13.6
621.59351	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75385	1.9
57.03332	1.9
59.01241	13.4
64.85748	1.7
71.01255	7.3
73.02816	2.2
75.00758	3.5
81.03334	9.1
83.01257	4.0
85.02831	7.7
86.84877	2.1
87.00737	2.1
89.02336	3.5
95.01257	3.0
95.04897	8.9
96.30225	1.6
96.95889	10.1
97.02836	6.5
99.04336	2.4
101.02299	3.9
101.05974	5.1
101.29594	1.9
109.02824	4.9
113.02319	6.3
119.03327	2.3
122.97655	1.9
123.04398	3.9
123.08024	2.1
125.02336	32.5
125.05972	10.6
127.88570	1.8
134.18086	1.8
137.02315	4.4
145.02753	2.0
149.02368	4.0
152.99396	1.9
161.02307	2.9
163.03888	2.3
164.08340	2.3
165.09116	6.7
166.02719	2.4
167.03424	20.7
167.07066	2.6
169.01350	6.5
177.01817	2.7
179.10684	13.0
183.10173	2.5
187.05663	1.8
195.06476	2.3
205.04959	3.0
207.10129	4.1
209.08116	14.4
221.08174	9.9
222.09007	1.9
223.09674	2.1
233.08124	7.0
247.09666	4.0
248.06740	1.9
251.09215	100.0
252.09657	5.2
263.09171	3.2
275.09229	23.7
281.10272	6.9
289.07446	2.6
293.10464	3.3
305.10452	3.8
411.07303	2.0
413.14496	79.4
414.14807	7.5
443.15518	14.2
610.58514	2.4
619.26111	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	619.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
66.07082	0.5
66.69572	0.5
71.01254	0.9
79.01768	1.6
85.72967	0.5
89.02362	0.6
93.03323	7.8
95.01265	0.9
96.95910	0.8
107.01261	1.1
108.02047	1.2
109.02852	0.9
117.03354	0.7
119.04906	2.8
123.00778	0.9
125.02356	2.9
135.04404	1.8
136.01550	1.0
137.02312	1.1
143.04910	11.9
144.05257	0.7
145.02884	2.7
145.06499	1.1
147.04402	1.0
149.02370	1.2
150.03110	2.5
151.00241	0.8
151.03882	0.9
152.01093	1.4
153.01820	0.7
159.04413	0.9
161.02330	0.6
161.05934	1.5
163.03923	2.3
169.01302	2.6
175.03914	2.4
177.01828	1.4
177.05469	1.8
178.02608	1.7
179.03426	2.6
187.03918	1.1
189.01814	0.7
189.05519	0.8
191.03397	1.8
203.03441	1.5
205.01300	0.8
211.03903	0.6
215.03491	0.8
217.05025	1.8
229.04984	2.6
229.07030	0.6
233.04562	1.0
253.08894	0.5
263.07172	0.7
277.08768	0.8
279.06686	0.8
279.10239	1.1
293.08170	0.9
307.06070	1.3
308.06757	2.9
309.07758	3.0
313.05563	0.8
315.07062	1.1
319.06027	0.7
321.07651	4.1
322.08417	10.5
323.05750	1.0
323.09229	11.5
324.09805	0.9
333.07587	1.5
335.09219	1.4
337.07077	3.8
349.07101	3.9
350.07614	0.7
351.08658	9.3
352.08939	1.6
361.07141	1.7
363.08746	2.9
379.08203	52.8
380.08636	5.7
381.09793	1.6
391.08188	5.6
392.08408	0.8
409.09259	25.8
410.09668	2.8
421.09174	3.7
423.09720	1.5
439.10095	1.2
451.10278	1.0
467.08264	7.9
468.08261	1.0
481.11606	0.7
499.12439	16.7
500.12912	1.7
529.13556	3.9
601.15247	0.7
619.16656	100.0
620.17035	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	617.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02822	0.3
55.01773	0.3
57.03310	0.7
59.01251	5.2
61.98705	0.6
69.30804	3.5
71.01250	3.5
73.02842	0.8
75.00745	0.7
78.95772	0.6
80.02586	0.7
81.03347	0.9
82.95267	0.3
83.01266	0.9
83.04897	4.5
84.02065	0.5
85.02829	1.7
87.00774	0.8
89.02313	2.1
90.80284	0.3
95.01260	0.3
95.04919	0.7
96.95905	0.6
97.02850	0.3
97.06502	0.3
98.20578	0.7
99.00782	0.5
100.70671	0.3
101.02321	2.9
109.02828	0.8
113.02345	1.9
116.90096	0.3
119.03367	0.4
123.00820	0.9
125.02363	1.8
125.09652	0.8
127.11162	2.0
135.08090	0.4
137.02353	1.0
138.03140	1.1
144.10527	0.3
149.02350	0.4
153.01823	0.3
153.05429	0.4
153.09108	0.4
161.02344	0.4
161.04485	1.0
163.11194	3.0
164.39697	0.3
165.12787	1.6
169.01389	0.6
171.10187	100.0
172.10530	3.9
177.01807	0.4
179.05544	0.5
181.12357	0.7
191.10667	0.6
197.11668	0.4
199.13329	0.6
209.11775	87.9
210.12097	5.1
227.12846	13.0
227.15164	0.6
228.13159	0.7
235.08194	3.1
239.03278	0.6
253.09282	7.4
254.09607	0.4
255.02979	0.4
267.02960	0.5
303.12357	0.3
315.08838	0.4
363.21655	0.5
386.08191	0.3
407.19012	0.9
445.09018	0.3
445.20679	0.6
463.10486	0.6
463.21231	0.4
617.28918	0.5
630.57751	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	3.7
61.98696	0.6
67.01765	0.5
69.03311	0.7
71.01254	13.9
71.59553	0.7
72.99170	2.6
73.02805	0.9
75.00763	0.5
81.03306	0.6
83.04874	0.5
85.02835	2.1
87.00758	0.6
89.02319	0.8
90.81441	0.5
92.99274	2.7
93.44141	0.5
95.01256	0.9
96.95885	1.6
99.00796	0.6
100.00276	1.7
101.02338	1.0
104.53394	0.5
104.74294	0.5
108.92939	0.5
109.02795	0.5
111.00780	0.9
113.02326	2.2
118.01352	100.0
119.01687	1.0
119.04951	0.8
123.04390	0.7
125.02333	3.9
125.05999	0.6
134.38275	0.5
135.04445	1.0
137.02330	1.7
143.13394	0.5
152.17140	0.6
161.02325	0.5
165.01584	0.6
165.09105	2.6
166.88118	0.5
168.00589	0.9
169.01283	0.9
171.10211	3.1
172.10526	1.3
179.03392	2.5
195.94974	0.5
203.07114	0.9
207.06538	0.8
209.08171	4.7
209.09906	0.5
209.10262	0.4
209.11685	3.0
210.12128	2.1
211.13539	0.6
233.08159	0.6
237.03603	1.1
247.06248	0.5
251.05568	1.4
252.05727	0.5
253.09273	0.6
255.09743	0.5
298.05902	0.7
323.07730	1.0
339.23312	0.8
383.22052	2.4
395.10065	0.7
401.23267	1.6
409.10858	0.6
467.61261	0.6
478.08417	0.6
522.13721	1.9
575.27020	0.9
619.20404	3.6
619.31281	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	617.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.2
57.03329	3.9
59.01249	35.0
61.98705	1.0
67.01767	0.9
68.99688	0.9
69.03313	0.9
70.44803	1.2
70.45196	1.0
71.01253	23.6
72.99182	5.0
73.02825	2.9
75.00742	28.3
78.95775	0.6
83.01270	3.6
85.02820	31.2
86.03140	0.4
87.00754	7.6
89.02310	3.7
94.00928	0.5
95.01260	5.1
96.95878	1.4
97.02816	1.2
99.00752	12.3
99.59550	0.5
101.02307	3.8
103.00238	1.9
111.00762	1.9
111.04398	0.5
112.01565	0.6
113.02325	31.8
114.02665	0.8
115.00243	2.5
117.01814	1.8
122.05969	0.6
125.02316	1.2
129.01770	1.7
137.02231	0.7
139.00281	0.6
141.01883	0.7
143.03363	0.6
157.01349	1.5
161.04437	1.7
169.01366	0.8
175.02426	5.5
186.20538	0.5
191.05571	0.7
194.66809	0.5
201.03917	0.7
222.37807	0.5
230.86172	0.5
282.74588	0.5
377.07312	3.9
395.07956	0.6
434.19852	1.0
465.17685	0.7
468.28653	0.6
513.26855	1.4
557.26263	2.3
575.27142	1.3
599.26831	0.8
617.28107	100.0
618.28491	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	617.262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98583	2.1
57.03325	2.0
59.01263	14.4
66.80215	1.7
67.36491	1.6
71.01265	9.7
73.02831	2.1
74.88856	1.8
75.00755	7.1
80.04989	2.4
85.02836	10.9
87.00762	3.9
89.02329	3.0
94.06519	3.0
95.04926	2.6
96.95898	48.5
100.48756	1.8
101.02344	3.6
105.05698	2.7
106.06524	2.1
107.03664	5.6
109.02809	2.2
109.05211	2.1
110.06010	8.3
113.02347	11.0
118.06530	3.0
119.04957	2.9
120.08092	85.4
121.05247	9.2
122.06014	65.9
125.02358	9.9
136.07568	2.8
136.95840	1.9
137.02330	4.4
137.04736	2.7
144.04584	2.0
146.06017	6.0
146.09645	3.7
150.03140	4.0
151.00264	2.4
151.03645	2.5
152.07036	2.2
161.04489	2.2
163.00319	1.8
164.07085	5.2
165.01833	4.2
165.05582	2.0
169.01318	2.8
171.10220	8.1
180.04298	3.1
195.06590	5.3
209.11812	6.3
223.12231	2.2
225.10129	2.1
225.13812	2.2
226.86629	1.8
227.03096	1.9
234.15993	1.8
237.10239	12.0
238.10965	4.2
239.11861	3.7
241.09901	2.9
241.13298	2.4
243.15089	3.3
250.11166	2.5
251.07243	2.6
251.11896	21.2
252.12601	9.6
253.13431	2.8
255.11424	5.9
265.13516	17.7
266.14227	9.2
267.11499	5.5
267.15033	23.6
268.15482	2.2
269.04822	2.3
269.12839	3.7
281.12997	3.1
285.12451	2.3
287.14108	12.0
298.13248	9.5
300.11252	2.7
311.13992	2.0
323.05484	3.2
353.10376	12.6
360.17352	3.3
376.20291	7.4
388.20352	13.3
406.21390	5.1
420.19232	10.2
421.19742	2.9
432.19357	19.3
433.19525	4.7
438.19940	2.8
450.20328	100.0
451.20987	22.5
517.18549	2.4
543.26093	8.8
555.26202	26.6
556.26398	5.6
569.22900	5.2
573.27216	97.5
574.27570	19.1
599.25079	5.8
617.27979	22.9
618.27332	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	617.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53068	1.5
53.05311	1.3
57.03320	1.5
57.86012	1.7
59.01261	11.0
62.03404	1.5
69.44779	3.0
69.45187	12.5
71.01246	6.5
75.00747	4.2
78.95779	3.5
82.65308	1.7
85.02812	5.2
85.34094	1.4
89.02326	2.5
94.06486	2.4
96.95887	100.0
96.96873	3.7
98.19767	2.0
98.20332	5.7
107.03674	2.1
109.02790	1.8
110.05997	4.2
113.02351	3.4
118.06518	1.9
120.08079	39.0
121.05223	6.6
121.08417	2.0
122.06007	36.8
125.02335	6.6
136.07581	1.9
137.02327	5.7
146.06033	2.7
152.07086	2.6
164.07103	4.4
165.01860	15.6
166.02182	7.2
167.02275	2.3
171.10242	2.5
179.03380	3.5
180.04120	6.1
181.04553	3.3
182.04659	3.3
191.06790	1.7
195.06581	10.4
196.06905	5.9
197.07103	3.1
207.06789	1.8
209.11882	2.0
225.07556	3.7
226.07834	3.6
237.10291	5.4
243.15068	3.0
251.11945	10.0
252.12637	2.5
253.13417	2.0
255.11263	2.4
265.13470	9.1
266.14203	6.9
267.11801	2.8
267.15018	11.7
269.12927	1.9
281.12863	2.4
285.12442	3.8
287.13992	8.8
298.13065	4.0
309.12350	1.8
312.94821	1.8
337.94711	1.5
359.15167	3.2
360.16183	2.9
361.15829	3.5
373.18497	1.7
376.20230	4.9
388.20334	6.3
389.20926	1.7
406.21371	3.7
420.19244	2.8
432.19366	11.1
433.19400	3.4
450.20306	57.8
451.20908	13.8
543.26013	2.2
555.26025	14.1
569.23108	9.0
573.27209	54.2
574.27588	8.9
599.24402	3.0
617.27979	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	617.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	9.4
58.00465	3.4
59.01252	46.5
59.89185	2.2
60.21482	2.2
65.56498	2.2
69.67999	15.1
71.01258	26.1
72.99173	2.7
75.00713	5.9
78.95779	3.9
81.03322	4.5
83.01252	9.3
85.02834	13.2
87.00759	5.1
88.06692	2.5
89.02312	17.9
93.03323	4.0
95.01229	3.1
96.95887	60.1
96.96830	3.2
97.02825	4.5
97.78364	2.1
101.02298	11.5
109.02822	5.8
113.02296	11.8
121.02798	3.4
125.02348	45.3
137.02345	55.5
139.03889	3.8
150.03108	3.3
151.03912	3.4
159.04378	3.7
165.01848	31.4
167.03404	14.5
169.01324	7.5
177.01901	3.8
177.53493	2.2
187.03990	2.7
188.04689	23.2
195.06566	2.3
201.05508	9.6
202.06288	8.0
213.05524	3.4
216.04141	5.3
225.05748	2.7
227.03505	4.5
229.05019	3.1
241.04901	3.6
241.08636	3.3
243.10251	9.4
261.11273	5.1
265.08801	2.3
267.07217	3.4
269.08249	11.3
271.09766	5.6
289.07285	5.4
289.10693	3.9
333.11285	3.1
345.10791	4.0
423.16510	27.4
433.14813	2.3
449.14670	7.0
451.10309	4.0
451.16092	57.9
452.16394	9.3
473.14392	5.1
479.15594	24.4
491.15631	5.9
531.18689	6.9
555.18658	11.3
571.17883	2.8
573.19666	4.4
589.19385	4.8
599.17743	28.5
600.18323	5.2
617.18732	100.0
617.27374	5.6
618.19006	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	616.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19116	0.1
66.36156	0.2
67.94167	0.2
70.90506	0.2
70.90846	0.4
78.95776	4.2
79.95609	2.1
81.02946	0.2
95.12191	0.2
96.95890	100.0
96.96778	5.3
97.95828	0.2
116.92767	0.3
124.21497	0.2
136.77440	0.2
159.10214	0.2
361.08142	0.2
369.47476	0.2
479.48032	0.2
534.54474	0.2
597.97998	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1148
Annotation	Taxillusin
Peak:m/z	Relative Intensity
51.25747	0.8
56.85065	0.7
57.03320	8.4
59.01260	1.6
59.34380	0.9
65.00187	3.7
71.01247	3.9
73.02820	1.0
81.03349	0.9
83.01260	4.2
85.02827	1.8
89.22980	1.1
95.01256	1.7
97.02808	1.1
98.20582	1.5
101.02303	1.6
107.01274	9.7
109.02834	2.3
111.00748	2.7
118.50924	0.9
121.02863	1.6
123.00759	6.3
123.04413	2.5
124.01562	2.4
125.02337	100.0
126.02673	2.6
135.00743	1.3
137.02312	2.4
139.00259	2.1
139.03902	1.5
140.01064	1.4
141.01839	1.1
147.04431	1.6
149.02357	6.8
150.03128	1.0
151.00275	22.4
151.03896	2.0
152.01003	2.0
153.01842	15.4
161.02379	0.9
163.00276	13.8
165.01839	1.0
166.99658	1.1
167.03447	1.7
168.00526	6.0
169.01337	45.8
170.01588	0.9
171.04395	1.2
174.03156	2.2
175.00256	0.9
175.03885	12.4
176.01062	3.2
177.01859	13.0
178.99762	5.7
181.01323	2.1
189.05458	3.4
191.03371	1.5
195.02826	1.5
199.03978	6.0
201.01878	1.2
205.01334	1.3
211.02362	7.0
213.05473	1.4
216.04198	1.2
217.05052	6.9
227.03465	1.2
227.55194	0.8
241.05228	4.8
243.02780	1.5
257.04520	1.2
259.06042	2.6
267.02884	1.2
271.04709	4.6
275.05676	7.3
284.03256	9.8
285.04059	32.8
293.66629	0.9
299.05533	1.5
303.05063	14.0
304.05115	1.4
312.05054	1.4
313.05640	48.5
314.05853	3.6
339.43991	1.0
352.90768	1.0
367.08069	0.9
439.08795	8.0
465.06622	6.1
466.07285	5.7
467.08008	3.6
477.07193	4.5
493.06049	7.0
494.06674	2.2
495.07864	1.6
571.12067	1.0
574.94189	0.9
589.12024	19.2
590.12476	2.0
599.10461	47.6
600.10748	6.5
617.11389	60.6
618.11914	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	617.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.7
57.03321	9.1
58.00465	1.2
59.01253	41.9
61.56429	1.1
67.01756	2.1
68.99712	1.6
69.03326	4.2
71.01255	30.8
71.60117	1.5
72.99174	6.6
73.02803	4.2
75.00748	28.4
81.03325	1.4
81.43015	1.2
83.01260	5.2
83.04897	2.5
85.02824	33.1
87.00753	8.3
88.21275	1.1
89.02319	8.2
95.01268	5.8
95.04890	1.4
96.95892	16.8
96.96840	1.8
97.02827	3.9
99.00760	12.5
101.02334	7.7
103.00232	1.9
107.01253	1.6
108.02062	10.3
109.02845	16.7
111.00765	1.5
113.02331	33.7
115.00249	2.0
115.11747	1.0
117.03410	1.9
119.03413	2.8
119.04853	1.5
120.08086	2.6
121.02845	4.4
122.06001	1.9
123.00762	6.2
123.04412	16.9
124.01537	1.5
125.02340	67.9
125.13588	1.1
126.02650	2.3
129.01825	2.4
131.03467	1.8
133.02850	5.1
135.04445	1.5
137.02357	7.9
138.03139	2.1
139.00323	1.4
139.03891	2.1
141.01814	1.2
144.13899	1.0
145.02856	13.7
146.03693	1.1
147.04422	3.5
148.01569	2.0
149.02344	3.9
150.03134	2.1
151.03946	7.3
153.05490	1.1
157.01299	1.6
159.04373	3.4
160.01579	3.3
161.02370	3.3
161.04500	1.4
161.05899	1.3
162.02988	1.2
163.03923	2.5
163.11229	1.4
164.01068	1.7
165.01863	2.0
166.99774	3.8
167.60164	1.0
169.01338	82.0
170.01680	2.7
171.10181	39.6
173.04509	1.6
174.05644	1.1
175.02351	3.6
175.03931	3.8
176.01060	1.6
177.01852	44.3
178.02191	2.2
187.03876	3.7
189.01868	37.1
189.48090	1.2
190.02597	11.5
191.03349	8.2
193.01353	4.9
201.01852	4.1
202.06276	1.2
203.03441	5.2
203.07047	2.4
205.04991	1.7
209.11751	34.5
210.12183	1.4
215.03456	1.4
216.00620	6.2
217.01369	32.1
218.01959	3.9
219.02957	13.7
224.04834	1.3
225.05482	2.4
227.03403	1.5
227.12845	5.8
229.05125	1.3
231.02914	9.2
235.08113	1.8
241.05003	1.8
245.08342	2.2
253.05057	3.0
253.09343	4.1
257.04425	1.6
259.06104	3.3
271.03287	1.3
271.06113	7.8
281.04565	3.6
285.04025	1.5
289.07217	15.5
297.04153	2.3
297.07809	2.1
301.07166	9.2
313.07199	5.6
315.08670	1.5
322.04639	2.8
323.05621	19.7
324.06003	1.6
327.08939	1.5
337.07086	6.9
341.06635	61.9
342.06931	4.9
345.09659	2.7
345.22806	2.1
355.08340	6.6
447.10934	13.7
448.11179	1.5
449.12637	1.9
450.20590	1.7
454.81131	1.2
463.10712	7.0
464.10431	1.4
465.11887	93.3
466.12173	11.5
467.09497	1.5
507.09335	3.1
557.26331	1.7
573.28180	2.8
599.27350	1.3
601.38086	1.4
617.12402	4.0
617.28174	100.0
618.28430	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	616.292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.31341	0.3
71.38100	0.4
71.58820	0.2
78.95775	6.8
79.95612	2.2
96.95890	100.0
96.96786	7.1
103.59037	0.2
149.55258	0.3
152.99483	1.1
171.10170	0.9
254.39629	0.3
279.23282	0.5
445.20264	0.4
563.21259	0.4
569.28619	0.3
586.94244	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21393	0.9
57.03331	2.8
59.00950	1.2
59.01254	25.7
67.01775	1.1
67.52406	1.2
71.01252	11.4
71.46832	1.7
72.99192	2.5
73.02832	2.1
75.00748	11.7
80.04942	1.4
81.03346	1.0
83.01267	2.6
85.02817	12.8
87.00764	3.3
88.03929	2.6
89.02328	4.0
95.01265	1.8
96.95899	3.4
97.02807	1.1
99.00756	4.1
101.02339	3.5
106.06515	1.5
109.85396	1.0
113.02335	12.2
115.00263	2.5
120.04463	1.4
120.08080	2.9
121.02865	2.3
121.05237	1.9
122.06021	16.5
123.04453	1.2
125.02342	9.4
132.02956	1.1
134.06030	2.5
137.02347	4.9
139.00316	1.1
139.03906	1.2
151.03944	1.2
153.01746	1.5
160.06358	8.6
161.02332	1.8
163.04018	1.1
165.01892	1.2
165.05586	1.3
169.01321	1.9
171.10208	3.8
175.02419	2.1
191.01920	1.9
207.10207	2.2
209.02892	1.2
209.11763	1.9
213.10272	32.6
213.12326	1.7
214.10583	2.1
225.10551	2.0
226.11043	2.9
239.11885	7.5
241.13484	19.1
242.13832	1.2
267.11478	1.3
267.14954	6.3
280.94556	1.1
285.12460	100.0
286.12766	9.1
289.07217	2.9
311.13870	1.5
329.15189	1.4
330.16153	1.1
358.15570	2.5
372.17288	1.7
386.18701	3.5
387.19458	2.1
431.18716	1.4
509.25385	1.2
527.26593	2.3
541.24799	2.0
553.24512	11.6
554.24945	2.6
571.24957	66.5
572.25507	16.0
615.25616	3.2
616.33374	4.1
631.04852	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.6
59.01255	2.8
61.98725	0.4
65.40965	0.4
67.01753	1.0
69.60059	3.1
71.01260	1.9
72.99170	0.6
75.00769	1.3
83.01273	0.4
85.02839	2.0
87.00770	0.5
88.96555	0.4
89.02328	0.7
96.95900	1.0
99.00758	0.9
101.02342	0.5
107.04952	0.5
109.02808	2.3
113.02347	1.9
119.04900	0.5
121.02820	1.9
122.03630	0.6
122.06033	0.9
123.00787	0.5
125.02386	2.4
134.06046	0.7
136.01587	1.0
137.02354	16.9
138.02919	0.4
147.00859	0.4
147.04404	0.7
149.02351	1.2
150.03134	1.9
151.03914	1.3
152.99568	0.5
163.03960	1.6
164.01070	1.6
164.04721	0.5
165.01855	100.0
165.05475	2.1
166.02132	3.3
169.01370	1.1
174.03136	0.6
175.03929	2.8
176.04593	0.5
177.01924	0.6
179.03432	14.4
180.04213	60.4
181.04649	2.3
188.04684	0.7
189.05498	1.2
190.06287	3.6
191.07034	1.8
192.04126	0.6
193.05019	1.9
194.05788	4.4
195.02969	2.8
195.06572	86.5
196.06885	4.0
203.06978	0.5
205.08588	2.7
207.06566	1.1
208.05630	0.5
208.07292	2.3
209.08112	0.5
209.11757	0.5
210.05299	12.7
211.05722	0.7
225.07652	75.2
226.07977	4.4
255.76736	0.4
271.06158	0.5
285.04053	0.4
339.93915	0.5
344.12634	0.6
345.13306	0.8
359.15015	15.1
360.15384	1.9
375.14584	0.6
389.16046	0.6
567.22229	3.8
568.22827	0.7
615.24689	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	615.245
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78011	0.6
59.01262	3.0
67.01772	0.8
69.48890	5.2
71.01246	2.3
72.99186	0.7
77.15613	0.6
78.25737	0.7
81.51080	0.6
85.02834	1.9
87.00777	0.9
90.40893	0.6
93.03342	1.1
96.95902	1.3
98.20387	2.2
107.01360	0.6
108.02077	1.4
109.02843	3.0
109.99895	0.7
111.34671	0.7
113.02283	0.8
119.01283	0.8
121.02826	4.9
122.03621	1.4
123.04436	1.0
125.02314	2.6
135.04427	2.5
136.01550	2.2
137.02354	18.3
147.00771	1.1
147.04411	1.9
149.05992	1.1
150.03131	1.7
151.03917	1.3
152.01080	1.1
161.02422	1.6
163.03897	3.7
164.01067	2.2
164.04755	1.1
165.01848	100.0
165.05522	1.7
166.02194	4.2
169.01389	1.4
171.10219	0.6
174.03127	1.6
175.03906	6.1
176.04691	2.1
177.01782	0.8
177.05482	2.0
179.03418	22.8
179.06981	1.2
180.04201	53.0
181.04652	3.4
188.04713	1.4
189.05460	2.3
190.06284	6.7
191.03448	0.9
191.07063	5.8
192.04158	0.9
192.87556	0.6
193.04968	4.3
194.05769	11.3
195.02887	2.6
195.06561	70.9
196.06865	3.3
203.07133	1.3
205.08658	6.7
207.06554	5.7
208.07304	5.6
209.08121	1.4
210.05309	9.5
211.05836	0.6
222.08974	1.0
225.07646	45.8
226.08015	2.9
325.24875	0.6
344.12732	1.5
345.13351	3.3
359.15024	40.5
360.15302	2.3
389.16068	1.8
428.10562	0.7
530.18994	0.7
537.21112	1.6
552.20074	1.5
567.22327	43.7
568.22516	6.1
615.16644	2.2
615.25641	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	615.1728
Annotation	Heme
Peak:m/z	Relative Intensity
57.03307	1.0
57.14075	0.6
59.01258	4.4
61.98694	1.3
67.01760	2.0
68.99675	1.0
69.03332	1.7
71.01256	6.0
72.99171	1.9
73.02817	1.2
75.00764	1.5
76.12159	0.6
79.01770	1.6
83.01262	1.5
85.02824	5.2
87.00770	1.3
89.02320	1.6
91.00271	0.7
93.03371	0.8
95.01258	1.7
96.95875	2.8
99.00768	1.5
101.02327	2.0
107.01274	12.0
108.02076	0.8
109.02843	2.7
111.00773	3.3
112.12111	0.5
113.02341	4.1
121.02847	6.2
123.00764	11.7
123.04422	1.2
124.01533	2.4
125.02343	54.6
126.02696	1.6
127.00252	0.9
129.01846	1.0
133.02847	6.4
135.04422	3.0
136.98718	1.4
137.02338	5.0
138.03149	0.7
139.00266	3.7
139.03918	2.9
140.01093	3.4
141.01819	2.4
149.02373	4.7
149.04448	0.8
150.03093	2.6
151.00296	6.5
151.03867	2.4
153.01837	0.7
161.02351	0.9
163.03880	0.8
164.04735	1.2
165.01830	2.1
165.05525	1.8
167.03461	0.8
168.00531	5.5
169.01341	64.6
170.01695	1.6
174.01704	0.8
179.03423	1.0
179.07088	1.6
183.02901	8.0
183.04358	0.9
195.06509	0.9
197.04396	0.6
211.02444	1.0
241.03494	0.9
253.04994	0.9
271.06110	7.9
272.06857	3.1
273.07663	1.7
286.08585	4.3
287.09232	3.3
301.10791	1.9
312.04727	0.8
313.05670	26.5
314.06015	2.2
327.07236	9.6
439.08612	1.1
615.17188	100.0
615.25775	5.5
616.17529	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	615.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30970	2.5
57.03319	5.6
59.01248	96.6
70.83643	4.5
70.83987	3.1
83.01268	3.0
93.44212	2.2
98.20596	2.1
106.04105	4.7
109.02809	4.0
125.02323	28.7
129.22932	2.1
137.02338	4.5
139.02777	1.8
139.03871	4.4
147.00801	2.6
147.08061	25.3
149.05974	2.2
151.00307	13.1
153.01851	11.7
163.00246	2.0
165.01839	6.3
165.31593	2.0
167.03404	4.9
169.01305	2.6
175.00258	16.4
178.99751	12.1
187.03981	2.3
191.03456	10.0
191.07018	12.3
193.01347	100.0
194.01620	5.3
209.08055	4.5
215.03423	4.6
251.09125	3.1
257.04486	2.6
301.03543	15.8
319.04486	12.5
358.82056	2.2
448.81976	2.3
594.49847	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	615.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98833	0.6
52.34604	0.7
54.49747	0.6
59.01264	0.7
69.03307	1.4
70.25179	3.2
71.01247	1.8
74.52666	0.7
76.22860	0.6
79.02218	0.6
97.02818	1.4
99.00794	0.7
107.01307	1.1
113.02373	0.7
114.35268	0.7
123.00737	3.6
124.01582	3.1
125.02332	67.5
126.02674	2.1
137.02367	0.8
139.00266	0.9
140.01082	0.7
141.01744	0.8
151.00291	1.1
168.00549	6.9
169.01331	100.0
170.01677	4.6
180.95515	0.6
193.01326	0.8
198.37180	0.7
211.02364	1.2
271.04559	0.9
283.56253	0.7
297.06265	1.4
313.05664	6.6
331.06842	3.5
445.09781	6.9
446.10153	1.2
463.10855	12.2
464.11026	1.7
468.52573	0.7
476.54471	0.7
483.07709	9.9
484.07736	1.5
615.11987	37.7
616.12305	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	615.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	7.3
59.01249	100.0
63.45750	1.8
65.00195	2.2
83.01258	3.9
95.01245	2.8
106.04147	3.4
107.01276	3.9
108.02006	3.3
109.02825	3.7
119.08963	2.0
123.00755	4.1
124.01539	4.4
125.02332	78.0
137.02332	10.1
139.03851	2.7
147.08052	19.3
149.06041	2.4
150.94681	2.2
151.00266	11.7
152.01076	2.5
153.01837	12.1
165.01836	5.6
167.03429	4.3
168.00542	4.1
169.01344	58.8
175.00294	19.3
178.99805	11.0
191.03404	8.9
191.07085	12.3
193.01372	95.3
194.01707	4.7
209.08138	2.1
215.03395	7.1
233.04500	3.1
251.09300	4.9
257.04517	6.7
268.37152	2.2
301.00388	2.9
301.03482	14.3
313.05682	3.5
319.04544	12.5
335.37531	2.7
336.22040	2.3
351.88849	2.0
445.09875	4.7
463.10962	9.3
483.07425	7.0
615.12140	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	615.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.4
65.00197	1.1
65.59575	0.3
70.15026	1.3
83.01241	0.9
90.19145	0.4
107.01280	2.6
108.02006	0.9
109.02842	2.0
120.07159	0.5
121.02834	1.6
123.00742	0.6
125.02320	1.2
134.03629	0.6
135.00795	0.5
137.02351	0.6
148.01524	0.8
151.00259	10.4
152.01013	0.8
163.00259	2.1
164.00963	0.4
169.01337	2.1
175.00294	0.5
177.71204	0.4
178.02501	0.7
178.99770	4.3
184.00093	0.4
187.03897	0.4
190.99904	0.4
193.01245	0.5
193.04932	1.7
199.03938	0.4
211.04027	0.6
216.04228	0.7
219.64310	0.4
226.02614	2.1
227.03412	2.7
243.02950	7.6
244.03448	0.7
245.04491	0.6
254.02214	2.3
255.02965	13.7
256.03329	1.1
271.02466	45.0
272.02933	4.4
273.04034	0.7
283.02234	0.5
290.98709	0.4
299.01993	1.0
300.02731	70.3
301.03476	37.5
302.03848	2.3
313.05725	0.6
453.04919	0.6
463.08789	100.0
464.09094	9.2
480.53537	0.5
615.10077	1.6
615.19324	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03334	2.3
69.86784	1.4
71.57375	1.4
71.57834	2.2
75.80074	1.3
91.30225	1.3
97.02866	1.8
99.00770	1.7
107.01267	7.0
109.02775	2.0
123.00779	3.5
124.01506	3.0
125.02334	72.1
137.02335	2.5
165.73518	1.5
168.00548	5.4
169.01337	100.0
170.01691	2.2
177.01811	2.1
211.02173	1.6
283.04761	2.7
316.52710	1.7
318.60867	1.9
331.06686	2.9
343.06784	1.6
351.28342	1.4
394.57144	1.7
439.30707	1.4
445.09842	14.0
463.10974	13.1
464.11249	1.8
594.13031	1.6
615.12079	30.7
615.21686	1.8
616.12469	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	615.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67086	0.6
63.02247	0.9
65.00195	1.2
69.30611	5.3
72.22559	0.5
83.01263	0.5
93.72549	0.5
107.01247	2.5
108.02048	1.0
109.02847	0.7
121.02823	1.6
125.02338	0.9
149.05959	0.7
151.00284	11.9
152.01044	0.5
163.00238	1.8
164.01030	0.9
169.01343	1.3
178.99773	4.6
201.56102	0.5
209.08165	1.0
211.03893	0.5
226.02689	0.6
227.03470	1.9
229.04922	0.6
243.02974	6.6
244.03569	0.6
245.04611	0.7
254.02187	1.5
255.02962	20.0
256.03217	1.6
271.02469	37.8
272.02887	3.3
273.04056	0.8
283.02399	0.8
299.02014	1.0
300.02744	78.5
301.03488	49.5
302.03925	3.0
371.13449	1.1
458.29297	0.5
463.08826	100.0
463.60068	0.5
464.09106	11.6
615.09821	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.0991
Annotation	Quercetin 4'-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
51.30025	0.9
59.01249	6.8
59.27376	0.9
59.99608	0.9
65.00208	1.6
67.49305	0.9
71.01262	6.1
71.34776	1.7
73.02815	2.1
83.01254	2.0
85.02813	1.4
89.02306	2.6
99.00760	3.2
107.01260	6.1
109.02817	1.9
111.00670	1.2
113.02325	2.2
121.02851	3.0
122.03600	1.3
122.90591	1.0
123.00804	4.8
123.04411	1.4
124.05186	1.1
125.02339	23.6
125.03234	1.5
137.05901	1.1
139.00249	2.0
139.07526	4.9
140.01010	1.2
149.02319	1.2
149.04449	1.8
151.00273	16.4
161.32675	1.0
163.00327	3.0
165.01846	1.0
168.00537	1.1
168.07855	1.2
169.01331	22.9
178.99756	7.0
179.16266	1.1
185.00832	1.0
187.03871	1.1
187.11317	1.6
193.01384	3.7
203.05466	2.1
205.12183	3.2
205.36984	1.1
227.03384	2.2
230.99478	1.1
243.02974	9.5
254.02174	2.4
255.02933	23.6
271.02454	45.1
271.55264	1.3
272.02969	5.3
279.12354	4.7
283.02521	1.7
295.13995	1.0
299.01962	2.0
300.02728	100.0
301.03476	43.5
302.03772	2.0
313.05710	5.3
463.08826	56.3
464.09293	4.6
615.09869	71.9
616.10150	9.6
620.22803	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36411	0.9
59.01244	5.4
65.00188	3.0
69.40552	1.0
71.01250	2.6
71.57430	2.1
78.95786	2.0
83.01252	3.2
85.02828	1.3
86.89588	0.9
92.69907	1.0
93.03351	1.4
95.01273	1.9
96.95864	2.8
97.02807	1.4
101.02301	2.3
106.83308	1.0
107.01259	6.6
108.02055	1.6
109.02801	2.9
111.00758	2.0
113.02307	2.9
121.02856	2.7
122.03644	1.3
123.00779	6.6
123.04373	1.8
124.01598	1.7
125.02338	31.2
128.96780	1.0
133.00967	0.9
134.03606	3.0
136.98705	1.1
137.02339	5.6
139.00275	3.2
140.01071	2.9
148.01515	1.2
149.02335	2.8
150.03133	5.1
151.00275	21.1
151.03897	2.0
163.00204	2.0
163.03909	1.2
164.01067	2.0
165.01842	15.0
165.05484	4.9
166.99831	1.0
168.00533	3.1
169.01334	36.2
175.03857	1.8
177.01884	1.3
178.99780	13.9
179.03384	6.0
180.04216	9.4
190.06343	1.0
193.04961	5.7
194.05655	1.1
195.06528	13.8
199.03931	1.1
203.03397	1.0
210.05133	1.3
215.03555	1.2
225.07617	9.8
226.02644	2.0
227.03406	3.6
229.05112	1.0
243.02950	9.2
244.03142	1.2
254.02179	2.3
255.02988	26.8
271.02463	56.0
272.03033	4.8
278.98309	1.0
293.04395	2.9
299.01923	1.2
300.02728	90.4
301.03461	40.4
302.03738	2.0
311.05566	1.7
313.05682	19.2
314.06116	1.5
325.03165	1.2
359.15045	4.9
435.09613	1.1
445.07626	1.4
463.08887	38.6
464.08884	3.0
567.22217	5.8
615.09827	100.0
615.26025	5.2
616.10107	15.4
616.25232	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.7
59.01241	1.6
71.35458	0.5
71.35810	1.0
79.48564	0.4
95.04901	6.5
113.09636	2.3
177.12817	0.6
179.14334	1.3
195.13835	14.5
196.14207	0.8
217.12106	0.8
237.14691	0.7
246.12338	1.3
247.09489	0.5
249.10941	1.1
249.22177	1.3
251.23837	0.5
277.21710	14.5
278.11356	5.6
278.21936	0.8
279.12024	0.6
295.22778	100.0
296.23108	8.5
299.19824	0.9
315.19363	1.2
317.20959	45.3
318.21292	4.1
331.19360	0.5
356.35376	0.5
361.19907	5.3
362.20355	0.9
426.51135	0.5
613.44165	13.5
614.44354	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	613.4449
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50750	0.5
57.03335	0.7
59.01239	1.3
68.19352	0.5
68.93815	0.6
69.03324	0.9
70.60417	1.8
75.86994	0.5
78.95753	0.9
89.66114	0.5
95.04903	0.9
96.93884	0.5
123.08033	0.6
125.09599	1.6
127.11148	0.8
143.16055	0.7
151.11166	0.8
167.41949	0.6
170.12811	0.6
171.10182	36.5
172.10596	1.1
193.08408	0.8
195.13747	0.7
209.07893	2.5
249.22208	2.4
259.20599	0.9
277.21719	42.8
278.11371	0.9
278.22046	3.4
295.22781	100.0
296.23123	6.7
299.19891	0.7
301.46252	0.8
315.19370	0.7
317.20959	37.8
318.21402	2.8
361.19995	7.3
362.20325	1.0
382.73035	0.7
613.44366	46.2
614.44800	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	615.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	6.9
61.80090	0.7
63.02270	1.3
64.08251	0.8
65.00196	7.3
69.03343	1.1
71.01256	5.7
71.37951	1.6
73.02795	2.1
80.32307	0.7
83.01249	4.1
85.02834	1.0
89.02315	1.7
93.03331	2.3
95.01270	1.5
96.95866	1.1
99.00755	7.2
101.02322	2.7
107.01266	19.4
109.02841	3.3
111.00737	1.3
113.02331	2.1
115.64402	0.9
116.77323	0.8
121.02853	5.5
123.00754	4.1
125.02333	30.7
127.56983	0.8
137.02325	1.7
139.03912	0.9
140.01067	0.9
147.92598	0.8
149.02377	1.8
149.04497	1.2
151.00275	55.2
152.00577	1.9
153.01875	0.7
161.04570	0.8
163.00305	1.0
168.00502	1.6
169.01335	46.6
170.01663	1.7
174.06847	0.8
175.00281	2.8
177.01799	0.8
178.99762	9.2
191.05489	1.6
193.01314	2.1
201.05472	0.9
211.02373	4.9
211.04118	0.8
227.03487	1.4
241.03456	1.3
255.03008	2.1
257.04535	1.4
271.04596	2.7
273.04037	0.9
300.02756	6.0
301.03519	68.0
302.03845	5.7
313.05627	25.5
314.06104	1.5
463.09183	0.9
465.06796	12.0
466.07239	1.1
493.06281	2.2
504.18488	1.4
540.44080	0.8
571.23621	1.1
606.90717	0.8
615.09882	100.0
615.22363	6.6
616.10254	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	613.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.1
61.98684	0.7
65.00176	0.6
67.93112	0.4
71.01256	1.3
71.59129	0.6
78.95763	0.5
81.03327	5.7
83.01231	0.7
87.00770	0.5
88.98686	0.5
95.04896	0.5
96.95901	0.9
99.08036	1.4
107.01247	0.5
109.02834	1.0
113.02293	0.8
121.02848	0.6
123.08039	2.9
125.02325	5.4
125.05972	4.1
136.05209	0.6
137.02335	0.6
141.09123	0.8
142.54311	0.5
149.02321	1.0
151.00275	1.0
152.01025	0.8
165.01892	0.5
165.09122	31.9
166.09459	1.4
167.03348	0.6
167.23221	0.5
171.10211	5.9
177.94112	0.5
179.07120	0.8
191.06961	1.1
193.08669	0.5
195.13768	0.9
197.11774	3.9
205.08679	0.7
207.10229	0.7
208.07277	0.7
209.08139	100.0
210.08441	5.8
215.07069	0.9
221.08052	0.8
223.09795	1.3
223.13315	5.5
233.08159	21.6
234.08556	1.6
240.63013	0.6
251.09203	6.9
253.09230	1.2
255.02884	0.9
263.09192	0.9
275.09119	0.6
327.08719	1.0
524.72113	0.5
581.26025	10.7
582.26660	1.5
613.16614	2.5
613.28918	1.2
614.17780	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	2.4
61.98700	0.9
70.72663	2.6
71.01255	1.3
71.02818	0.8
72.13657	0.8
76.37730	0.8
89.02325	1.0
93.03332	3.3
96.95879	1.0
98.20038	0.9
108.61179	0.8
109.02839	1.0
121.02832	4.9
122.03623	15.4
123.00760	1.7
124.01557	1.6
125.02312	1.1
133.02887	1.2
135.04399	1.2
136.01558	2.4
137.02344	5.3
139.03922	0.9
149.02348	18.3
150.03128	86.4
151.00275	3.8
151.03676	4.0
162.03145	1.0
164.04677	2.8
165.01849	20.8
165.05475	100.0
166.02641	10.0
166.05754	4.3
167.03297	0.8
175.03853	1.4
177.01877	1.3
177.05460	1.5
179.03413	3.1
180.04195	15.9
181.04985	11.6
193.04987	1.5
195.06554	77.6
196.06891	3.2
205.04965	2.0
210.05223	2.8
220.07320	0.9
221.08150	1.0
225.07605	12.8
285.12381	0.9
337.00162	1.0
357.13315	1.1
363.11935	1.1
387.10721	1.7
387.14771	8.3
402.13223	1.5
403.13751	1.3
417.15619	13.1
418.16208	1.1
478.74902	1.0
565.20740	4.1
613.22870	1.1
614.23590	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10920	0.4
55.01749	1.6
57.03326	5.7
58.00469	0.6
59.01254	16.8
61.98705	1.3
67.01756	0.9
68.99700	1.2
69.03321	1.0
69.28432	5.0
71.01259	26.4
72.99178	5.7
73.02822	2.3
75.00748	27.0
78.95747	0.5
83.01266	2.7
83.04888	0.5
84.02040	0.7
84.92278	0.4
85.02827	32.2
86.03168	1.0
87.00756	8.4
87.93941	0.4
88.98690	0.8
89.02323	7.7
93.03340	0.6
95.01270	3.8
96.95919	0.8
97.02838	0.9
99.00158	0.8
99.00764	9.3
101.02333	6.5
103.00235	1.0
109.02837	1.5
111.00762	1.6
112.01532	0.7
113.02337	28.2
114.02657	0.5
115.00279	2.4
116.01052	0.6
117.01842	1.5
119.03410	2.3
121.02841	1.1
123.00786	1.4
125.02362	4.5
129.01845	1.9
131.03381	0.9
135.04448	0.5
137.02364	1.2
137.09590	0.5
138.03090	0.8
147.28819	0.5
149.02405	0.7
150.03098	0.7
151.03915	0.8
153.01839	1.0
153.05521	1.2
157.01314	1.7
159.04440	0.7
161.02405	0.4
163.03807	0.5
165.01823	1.2
165.05461	0.6
166.19493	0.4
166.74928	0.5
168.04201	2.4
169.01315	1.2
173.04482	0.9
175.02396	3.6
175.03912	1.4
176.01102	0.9
177.01894	1.9
177.22162	0.4
178.02737	0.6
180.04189	0.5
185.11757	0.6
189.01894	0.5
191.01917	0.7
191.03459	1.1
192.04251	1.5
193.01437	0.8
193.05045	0.9
195.06511	0.9
205.03470	1.3
205.08638	0.6
207.06584	1.3
208.03703	1.3
209.11711	0.8
217.01443	0.5
223.06131	4.2
249.06029	0.5
267.07254	1.0
272.08997	0.6
359.15149	0.7
456.12335	0.7
516.05023	0.5
569.23291	0.7
613.28760	100.0
614.29047	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	613.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.2
57.03329	2.6
59.01248	7.7
61.98706	2.4
64.17496	1.2
66.84305	1.3
67.01766	1.2
69.67076	1.0
71.01265	6.3
71.04852	1.6
71.60909	2.5
72.15270	1.1
72.99180	2.8
73.02836	2.4
75.00745	2.4
83.01247	1.6
85.02833	13.8
87.00737	2.7
89.02309	2.0
93.03339	4.2
95.01244	1.9
99.00780	1.5
101.02322	1.9
108.02024	1.6
109.02852	6.9
111.00786	2.3
113.02330	4.8
119.04830	1.4
121.02853	10.2
122.03635	14.8
123.00873	1.7
123.04388	1.7
124.01567	2.2
125.02347	6.1
129.01807	3.4
133.02910	1.4
134.03621	2.1
135.04414	4.4
135.08075	1.8
136.01588	7.1
137.02356	20.2
138.03154	1.9
139.00287	1.7
139.03893	1.7
149.02354	31.5
149.05974	1.5
150.03142	93.8
151.00285	8.1
151.03961	11.7
152.01056	2.5
152.04694	2.4
153.01840	1.4
154.74788	1.4
159.04385	2.9
161.02376	2.4
162.03093	1.3
163.03804	2.2
164.01167	1.3
164.04688	7.0
165.01869	43.9
165.05495	100.0
166.02654	20.2
166.05792	4.4
167.03355	4.3
169.01244	2.0
175.02493	1.3
175.03894	5.2
177.01822	3.2
177.05516	3.6
179.03423	11.7
179.07045	2.0
180.04205	31.4
181.05000	30.3
187.03883	3.7
189.05510	2.5
190.06294	3.0
191.01862	2.6
193.03423	1.6
193.05008	3.0
194.05560	1.7
195.06567	81.7
196.06880	4.8
205.03398	2.9
205.05014	5.8
209.11765	1.4
210.05293	4.7
217.12173	1.3
219.06570	1.5
220.07298	4.6
221.08025	1.9
225.07625	24.3
226.08095	1.3
235.09764	1.8
271.06119	1.8
329.10239	4.4
357.09546	1.6
357.13446	5.3
359.11456	2.5
372.12051	2.2
387.11014	2.1
387.14670	21.8
388.14993	1.7
402.13141	2.0
403.13913	2.5
417.15558	27.7
418.15988	2.6
437.08752	4.3
503.09409	2.4
535.20068	5.9
547.20020	2.6
550.18689	1.7
565.20764	65.2
566.21130	9.0
613.22235	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	613.208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	2.2
71.01263	2.1
71.58979	3.3
73.54967	1.6
75.00782	1.6
86.25334	1.7
98.30505	2.0
108.02051	9.5
109.02856	11.2
121.02834	5.1
123.00797	7.5
123.04449	2.4
125.02357	2.1
135.04419	4.4
137.02344	2.3
138.03128	3.8
145.02840	2.0
147.00769	4.7
148.01553	2.3
149.02382	3.0
150.03156	2.4
153.19218	1.8
162.03166	4.7
163.03947	10.2
171.10214	2.9
177.05539	6.8
185.11809	5.9
197.06007	2.5
199.03860	2.4
209.11789	6.4
225.05495	9.3
227.03406	2.8
239.03433	2.1
241.05046	2.5
253.08807	3.1
255.02988	7.5
265.05157	3.5
267.03177	5.5
267.06616	84.0
268.04187	1.6
268.07040	6.6
269.04556	3.7
270.05212	2.1
279.06561	2.4
281.08289	5.4
282.05508	3.6
282.09027	3.1
283.06119	1.9
284.06787	2.3
285.07816	5.7
293.08017	2.2
297.07782	3.9
314.08054	5.4
343.05963	1.9
344.07288	1.8
359.09390	2.3
371.09448	3.1
385.11075	2.7
387.08865	4.2
399.08835	2.3
415.08151	15.0
417.13458	3.8
429.09415	3.5
430.10550	14.5
445.12976	40.6
446.13373	7.5
457.13034	2.9
459.15076	10.8
460.15311	100.0
461.15710	13.4
462.13052	1.9
463.56604	2.0
474.17102	2.2
475.13846	16.0
476.13965	3.1
489.15613	4.8
518.41125	2.5
551.13159	2.1
567.18182	2.1
580.17035	2.3
581.17761	11.5
582.18280	1.9
595.19641	4.0
598.18420	10.6
613.20862	74.5
614.21179	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	613.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52877	1.4
57.03337	1.8
59.01251	28.1
60.01580	3.1
67.33618	1.6
69.03315	1.5
70.35752	5.5
71.01254	17.1
72.99181	2.6
73.02809	2.7
75.00757	6.6
81.03326	5.3
83.01269	7.8
85.02798	7.2
89.02317	14.0
93.03326	2.0
95.01254	3.2
95.04901	2.8
95.09319	1.9
97.02837	3.1
98.20498	1.7
99.04412	11.1
100.04700	2.0
101.02322	7.9
103.08811	1.5
106.92950	1.6
108.61833	1.5
109.02843	11.2
111.00812	2.8
111.04421	2.3
113.02331	7.3
119.03406	3.9
119.04935	2.2
121.02847	6.0
123.00809	2.1
123.04389	13.9
125.02329	18.0
135.04404	13.9
137.02341	6.4
137.05989	4.9
139.03918	7.2
141.01833	29.0
147.04401	2.2
149.02408	1.8
149.04454	3.6
151.03914	3.3
153.05298	1.9
155.03403	1.6
163.03839	3.9
165.01851	5.0
165.05487	4.1
167.03412	28.0
169.01329	2.6
177.05513	2.1
179.03391	9.0
180.04158	2.8
181.04968	2.4
191.03395	2.2
193.04993	3.2
196.69241	1.5
197.04526	7.3
205.05040	2.2
207.13870	9.3
208.14159	8.0
209.04501	39.8
209.14503	2.8
210.04916	2.6
218.93697	1.9
221.04575	8.0
233.04660	2.1
235.06039	1.9
239.05516	15.0
251.05594	23.5
251.12857	24.2
252.13184	21.6
253.13429	8.0
263.05646	5.1
269.06705	2.3
281.06656	6.5
303.07172	16.3
331.08148	5.4
361.09378	3.8
373.09277	100.0
374.09689	8.2
385.09311	4.1
401.55255	1.7
403.10321	63.2
404.10632	7.2
415.10168	3.6
431.19199	8.1
432.19595	18.5
433.11386	20.6
433.19730	14.5
445.10889	2.3
465.12653	4.7
475.12491	8.2
493.13461	16.7
505.13467	3.1
555.49933	2.2
612.25092	9.7
613.16705	3.5
613.25049	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	613.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46810	0.5
59.01236	1.8
61.98700	1.1
69.44689	5.3
71.01241	1.7
85.02827	0.8
95.01229	0.8
96.95901	1.7
101.02312	1.3
108.02043	1.0
109.02832	4.1
121.02826	3.3
123.00755	2.6
123.04395	1.9
124.01573	0.9
125.02327	1.7
135.04402	0.9
136.05135	0.7
137.02341	1.3
138.03116	1.7
145.02866	0.8
147.04427	0.6
148.01608	0.7
149.02333	1.3
150.03145	0.6
151.07529	2.6
152.99440	0.9
159.04507	0.6
160.78030	0.5
161.02310	1.9
162.03099	0.8
163.00224	1.0
164.01018	1.2
167.04974	0.7
169.01328	0.6
171.10196	2.1
174.03101	0.8
175.03851	0.6
177.01826	0.8
178.02763	0.6
178.70422	0.6
183.04434	1.4
187.03880	1.3
197.06073	1.1
197.11752	2.1
198.03255	0.8
199.03825	1.5
207.54202	0.6
211.03903	2.4
212.04680	0.7
213.01678	0.7
213.05487	1.4
215.03439	1.2
223.13426	1.7
225.05467	0.9
226.02768	1.1
227.03383	2.0
239.03410	2.2
240.04333	1.1
241.04958	2.0
242.02197	0.8
243.31998	0.6
249.05554	0.6
251.03630	0.7
253.04979	1.2
255.02933	5.2
256.03568	2.8
257.04553	2.7
265.05066	0.9
267.03006	4.2
268.03711	2.5
269.04556	5.3
270.05246	2.5
271.05820	1.4
272.06879	1.4
277.05017	1.0
279.03079	0.6
280.03790	0.9
281.04593	1.6
282.05283	2.1
283.02783	0.7
283.06229	2.1
284.06839	1.2
285.07794	0.6
292.03751	0.7
293.04782	0.9
297.04080	2.0
297.07724	2.6
298.08005	0.8
299.09357	0.9
307.05972	1.1
309.04218	1.3
312.06192	1.3
315.08899	0.7
319.06039	1.2
322.04944	0.7
324.06708	0.7
327.05322	1.0
327.08780	9.4
331.06152	0.8
359.05548	1.1
371.05298	0.8
373.07382	1.2
375.04599	0.7
377.06561	0.9
388.05692	1.1
389.06769	1.6
393.09866	0.6
400.05466	0.7
401.06439	1.5
402.07220	1.5
403.08197	0.9
419.11258	1.1
432.12411	1.0
433.33511	0.7
445.09201	1.0
451.08325	0.9
451.34540	1.0
459.10382	0.9
460.11734	0.9
469.09027	0.8
475.14105	0.8
489.15793	0.7
491.13083	1.0
497.08405	0.8
503.14087	1.0
507.07065	0.8
509.08795	0.9
512.11017	0.9
522.09589	2.3
523.10773	0.7
525.07953	3.6
526.08960	0.7
527.13373	1.4
537.12158	0.9
539.12933	0.9
540.10608	6.7
541.10785	1.1
554.12549	0.7
555.12946	6.2
556.13153	1.2
568.10333	0.8
570.15356	5.1
580.13470	0.8
581.14215	0.8
583.12445	2.5
585.17621	10.7
586.17688	1.8
595.16040	0.8
598.14691	6.2
613.17163	100.0
613.39020	14.3
614.17426	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	613.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93065	1.9
59.01257	3.8
61.98703	1.8
71.01265	3.1
71.51359	2.2
79.16091	1.5
85.02831	2.3
86.17378	1.7
95.01285	2.1
96.95911	2.6
101.02380	3.9
103.55702	1.8
108.02088	3.7
109.02824	9.2
121.02843	8.5
123.00775	11.0
123.04418	2.0
123.61446	1.8
125.02361	4.9
133.02733	1.9
135.04353	2.5
136.01543	2.2
137.02328	3.8
138.03114	9.6
149.02344	2.5
151.07520	4.0
153.05481	4.8
161.02420	2.1
161.04381	1.9
163.00288	4.3
164.01086	5.1
169.01335	2.3
171.04350	2.2
171.10159	5.3
179.03452	3.5
183.04443	3.4
185.02466	1.9
195.04761	1.8
195.06529	2.0
197.06042	5.0
197.11769	5.0
198.03206	1.9
199.03999	5.3
209.06120	3.0
211.03978	6.5
213.01848	2.0
213.05516	4.8
223.13332	7.0
225.05472	8.5
226.02678	2.1
227.03461	7.4
237.05450	2.5
239.03572	5.6
239.07230	2.3
240.04132	2.9
241.04988	14.5
251.03502	2.3
253.05026	10.8
254.02110	2.5
255.02983	40.7
256.03494	6.0
257.04602	4.5
265.05057	6.4
267.02979	4.4
267.06628	3.0
268.03818	10.6
269.04562	46.8
270.05286	18.4
271.05722	2.4
272.06818	3.6
277.05121	2.6
281.04596	10.6
283.06119	13.2
284.06924	10.1
285.07654	6.9
294.05356	3.0
297.04001	17.6
297.07413	2.7
299.09332	13.6
305.04465	3.3
312.06332	7.3
327.08743	100.0
328.09198	9.5
329.07855	2.4
331.05927	3.5
345.07678	2.8
357.07733	4.5
359.05731	3.1
373.06992	5.4
373.11252	2.3
385.07281	2.7
387.04971	3.4
388.05798	2.3
397.00052	2.2
401.06586	13.9
402.07355	24.0
403.08243	4.4
416.09131	7.4
417.09802	15.4
419.11481	2.9
430.06976	2.9
431.11328	13.8
432.12173	27.7
445.09390	7.0
459.10876	66.4
460.11493	43.5
461.12292	4.8
473.12726	2.7
491.13498	6.2
503.13379	4.9
529.21588	1.8
540.11676	2.5
570.15540	5.2
581.14496	3.5
585.17633	22.0
586.17963	3.4
595.16248	5.4
598.15063	4.0
613.17230	73.8
613.39185	11.1
614.17572	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	613.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	3.6
60.01326	1.1
61.98697	1.2
65.08286	0.9
71.01250	3.2
71.15913	1.7
71.16248	1.2
77.18182	0.9
78.61984	1.0
83.04354	1.0
85.02831	1.4
88.98666	1.5
95.01278	1.7
96.95901	3.8
101.02345	1.6
108.02094	1.1
109.02844	4.9
113.02344	1.6
121.02850	3.1
123.00781	4.2
124.01556	2.0
125.02350	4.7
126.95877	1.0
133.02832	1.5
136.01582	1.6
137.02295	2.9
138.03099	2.3
139.03889	1.4
145.06525	1.4
149.02347	1.4
150.03172	2.4
151.00302	1.0
151.07599	2.3
151.76280	1.0
161.02371	2.4
163.00256	2.8
164.01045	2.1
166.02586	1.2
171.04433	1.9
171.10204	13.3
173.05994	1.5
175.03979	1.8
178.02660	1.4
179.03403	1.7
185.02368	2.9
187.03975	2.6
188.04723	1.3
189.05560	1.8
195.06528	1.0
197.11786	2.0
199.03979	3.1
200.04811	2.4
201.05507	3.0
205.12202	1.1
209.06052	1.2
209.11801	2.7
211.03958	3.1
211.13367	2.1
213.05449	2.1
215.03326	1.2
223.13335	10.0
225.05592	2.1
227.03453	3.6
234.17726	1.0
235.04257	1.1
239.03383	2.3
240.04294	2.2
241.05136	2.3
243.02995	1.3
251.03453	2.1
252.04117	1.6
253.05002	2.1
253.09358	1.5
254.05872	1.8
255.02974	6.2
256.03635	2.9
257.04556	4.6
263.03525	1.1
265.04968	2.5
267.02826	5.1
268.03809	3.5
269.04605	3.7
270.05450	1.8
271.05963	1.6
272.06921	2.6
279.02936	1.3
281.04691	1.9
282.05383	4.0
283.05890	1.8
284.06812	1.5
293.04651	2.2
294.05411	1.3
297.04282	1.3
297.07645	4.5
299.05670	1.5
307.06015	2.1
308.03378	1.4
309.04001	7.6
310.04504	1.7
323.05630	1.7
324.06226	3.9
327.65335	1.1
339.08835	4.9
343.06094	1.8
357.07745	2.7
359.05435	2.0
361.07034	1.5
371.05664	1.3
372.06342	1.5
373.07211	2.1
376.06128	1.4
385.07327	1.8
387.04895	1.4
389.06326	1.5
390.07547	1.5
401.06528	3.7
402.07327	11.1
403.08160	2.1
408.64563	1.2
416.09055	1.4
417.09647	7.1
419.11240	3.2
430.06833	1.2
431.11545	2.5
432.12054	9.3
445.09656	2.3
459.10889	1.6
459.21982	1.5
460.11945	7.1
522.10010	1.7
524.11401	1.2
525.08197	3.0
539.13403	2.4
540.10358	6.2
553.14966	1.7
555.13257	3.8
565.11432	2.0
570.15332	5.8
571.15887	2.2
580.14081	2.1
585.17731	48.5
586.18280	7.2
595.16150	9.1
598.14252	3.0
613.17224	100.0
613.39233	4.3
614.17627	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	613.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	9.3
61.98697	4.3
64.94922	2.3
65.03839	5.0
66.75501	2.4
67.01750	3.9
70.89972	6.1
70.90321	2.7
71.01260	3.3
79.87016	2.8
85.02827	6.9
86.19643	2.6
89.02307	2.8
95.01272	3.0
96.95908	3.3
99.00728	3.4
101.02359	3.2
109.02835	54.7
113.02336	4.4
114.26103	2.9
121.02840	21.7
123.00793	7.4
124.01588	4.0
125.02356	9.4
136.01582	3.6
137.02367	7.1
138.03122	3.0
144.68210	2.4
148.01616	2.7
149.02335	4.2
150.03186	3.9
163.00244	2.9
171.10159	17.6
173.02275	3.5
177.01857	3.3
179.03358	2.5
185.11771	5.9
187.04044	3.9
197.11771	6.9
199.03998	3.2
202.02487	2.8
209.08305	2.9
209.11816	8.7
211.04021	5.8
213.05679	3.0
222.92552	3.0
223.13339	17.7
224.04964	3.1
225.05412	3.0
227.03458	4.0
239.03430	3.8
240.04169	2.8
241.05086	9.0
241.10104	2.6
253.04985	6.0
253.09204	3.0
255.02979	17.2
256.03674	5.7
257.04514	3.5
265.05133	5.7
267.03082	8.3
267.06601	4.6
268.03702	4.7
269.04550	15.9
270.05344	13.0
271.05899	3.0
272.07062	4.3
280.03717	4.1
281.04559	7.3
282.05301	5.2
283.06232	7.1
284.06885	5.2
285.07755	7.4
293.04514	3.5
294.05307	3.2
296.03262	3.3
297.04276	4.2
297.07861	3.7
299.09274	8.1
311.05893	3.1
312.06369	3.7
327.08774	55.8
327.91928	2.7
328.09311	4.9
333.07556	2.9
350.88254	2.7
357.07541	3.3
359.05542	6.0
373.07083	4.3
374.07895	3.3
385.07294	4.8
386.08215	3.1
387.04941	4.0
388.06213	3.1
401.06699	14.1
402.07474	23.6
403.08493	3.1
415.04431	4.9
417.10052	16.0
419.11505	5.3
430.06964	6.7
431.11530	5.0
432.12585	17.6
445.08893	12.9
446.10117	3.2
447.10605	4.5
458.06528	4.4
459.11008	30.4
460.11572	35.2
461.12009	5.3
473.09094	11.2
475.13992	12.2
476.10928	3.1
491.13025	14.9
503.13495	42.0
504.14069	7.2
512.88556	2.7
529.83844	3.5
537.12335	3.0
570.15558	6.2
585.17468	21.0
595.16272	4.5
613.17285	100.0
613.28149	6.3
613.39459	4.5
614.17310	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45670	0.8
57.34814	0.7
59.01247	1.8
64.76748	0.7
69.51036	6.2
71.01263	1.0
81.11140	0.8
82.95297	2.0
96.95899	1.4
101.02316	1.0
109.02827	2.4
121.02822	2.7
123.00742	2.0
125.02318	1.4
136.05132	0.7
137.02327	1.3
148.01529	2.1
149.02385	0.9
150.03130	1.4
153.05315	0.9
163.00285	1.7
165.09134	1.1
171.10172	6.1
197.11746	5.0
199.03827	0.9
209.08086	4.4
209.11823	1.8
211.03946	1.9
223.13362	5.5
226.02661	1.0
227.03474	3.9
233.08153	1.4
237.05423	0.9
239.03374	1.4
241.04924	1.0
248.04640	0.8
249.05490	1.1
251.03603	0.7
253.09177	0.9
254.02211	5.0
255.02966	19.9
256.03458	2.8
263.03452	1.1
264.04037	1.3
265.05099	3.7
267.02887	2.3
268.03714	2.7
269.04544	2.8
270.05319	11.1
271.05936	2.3
276.04211	1.4
277.05167	0.8
280.07437	1.0
285.07687	22.3
286.08258	1.4
289.04947	1.3
290.05746	0.9
291.03027	1.5
292.03690	2.1
294.21515	1.1
295.09766	4.3
297.04126	0.9
297.07559	1.7
303.03015	2.0
304.03699	2.2
305.04346	1.6
306.05408	0.9
314.04150	1.0
315.02948	1.0
317.04498	1.4
319.02466	1.4
320.03366	1.9
323.05466	0.9
327.08829	1.2
327.12347	9.2
331.02377	1.5
332.03094	1.6
333.03940	2.2
345.03979	1.2
347.01749	1.1
348.02676	4.9
349.03656	1.0
359.05502	1.1
361.03448	0.8
363.05017	1.8
373.03299	1.8
375.05020	0.9
376.02219	2.7
380.07013	0.8
391.04462	6.0
392.05444	1.5
406.06906	1.1
407.07159	0.8
409.06985	2.2
419.05527	0.9
420.05902	1.2
421.08859	1.5
436.05457	1.0
448.05707	1.0
453.06168	1.0
459.07208	0.8
460.07382	1.8
464.04935	1.3
465.05850	1.0
468.08475	2.7
480.04590	0.8
492.04874	4.1
506.06226	0.8
507.06973	1.5
523.06763	1.0
524.07007	1.1
537.99756	1.1
540.06689	2.0
551.06689	1.9
555.09167	2.6
567.09607	1.0
568.07153	1.1
570.11462	1.7
580.09753	1.2
581.14368	1.0
583.08667	6.5
585.13879	3.4
598.11017	23.0
599.11432	3.8
613.13416	100.0
614.13892	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.284
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51728	0.9
57.03310	1.7
59.01254	5.8
61.98706	1.0
71.01263	1.8
71.58995	0.9
71.59377	1.1
78.95779	66.9
85.02805	1.1
87.00727	0.9
89.02325	1.0
92.49458	0.8
95.19864	0.8
96.95871	1.8
96.96844	12.5
97.00562	1.1
109.02846	1.0
113.09601	2.9
120.64271	0.9
122.89878	1.1
125.02368	1.7
125.09610	1.0
130.87833	1.0
136.05151	1.1
150.97981	1.5
151.07578	1.6
152.99498	83.4
153.99849	1.3
163.00221	1.2
171.00546	2.0
177.12891	1.0
179.14345	2.0
181.12300	1.4
195.13832	21.4
196.14183	1.0
216.87605	0.8
223.00130	8.8
240.98759	1.8
241.01178	26.8
242.01611	0.9
259.02237	1.6
277.18918	1.5
277.21744	19.7
295.22791	75.0
296.23172	6.3
315.04855	13.2
333.05966	1.1
337.32944	0.9
357.20648	3.2
375.21759	2.8
376.22348	1.3
457.09540	1.1
458.09891	2.5
583.14587	1.0
593.29626	2.2
596.13287	1.5
611.15930	10.6
611.28357	100.0
612.16138	2.6
612.28748	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	611.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78956	1.6
52.30038	1.7
58.00477	1.8
59.01255	55.5
62.81089	1.4
70.24671	1.4
71.01257	27.9
71.30293	4.6
72.97858	2.0
85.02816	7.2
89.02321	23.8
89.02843	2.7
95.01263	3.0
99.04395	27.6
101.02325	13.9
111.04395	1.7
113.02308	6.9
115.03779	1.6
119.03374	7.5
138.20172	1.7
147.86412	1.6
161.80997	1.9
189.12843	3.8
207.13855	41.5
233.11839	1.9
250.67343	1.8
251.12878	100.0
252.13138	7.0
269.13998	2.3
284.24344	2.1
431.19220	76.8
432.19431	9.3
449.20151	2.8
611.25543	72.3
612.25903	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	611.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89878	1.0
59.01239	2.7
61.83752	1.0
69.26944	11.0
72.36353	1.0
75.00752	1.1
78.95777	63.0
86.46503	1.0
92.58926	0.8
93.42757	0.8
96.95908	2.0
96.96841	13.3
106.40819	0.8
113.09616	2.7
150.97929	1.6
152.99490	76.5
153.99812	1.4
171.00543	1.8
174.01570	1.1
185.05933	1.2
195.13834	18.7
196.13991	0.9
216.22246	0.9
222.09871	0.9
223.00107	7.4
241.01166	25.8
242.01431	1.0
256.01208	0.9
259.02292	1.3
262.41443	1.2
276.61224	0.9
277.21683	17.5
278.22043	2.3
295.22784	65.7
296.23111	6.5
303.22186	1.0
315.04868	10.7
333.05908	2.3
611.28333	100.0
612.28564	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	611.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00252	0.8
59.01245	4.1
61.98708	1.4
68.99686	14.1
71.01231	1.3
78.95786	1.0
83.22092	1.0
89.12519	1.0
91.42845	0.9
93.03375	1.2
95.01266	2.6
104.61583	0.9
105.03357	1.4
108.02082	1.4
109.02830	3.1
110.88082	0.8
121.02838	2.5
123.00750	11.0
125.02359	10.8
128.89027	0.8
137.02390	4.3
137.99480	1.1
138.03120	24.7
138.15344	0.8
139.03897	3.1
147.00743	1.1
149.02327	3.0
151.00276	1.1
153.01814	8.3
153.05478	36.2
154.05779	1.1
160.01584	2.6
162.03125	1.5
163.00294	3.7
163.03903	2.1
165.01840	10.5
168.04192	39.0
169.01335	1.7
169.04510	1.9
175.00275	9.5
176.01071	17.5
177.01842	14.3
177.05470	2.5
178.02605	9.8
179.03363	0.9
179.06982	1.2
180.04193	2.3
190.06265	1.1
191.03421	18.4
192.04199	24.3
192.07845	1.0
193.01350	24.1
193.04953	10.1
194.01987	1.8
195.06499	1.5
197.04559	1.5
205.05022	1.1
207.06558	31.9
208.03720	36.0
208.06805	1.6
209.04311	4.9
220.07373	1.6
223.06068	100.0
224.06522	5.7
238.04758	3.4
240.07864	1.2
256.07520	1.0
268.07321	2.8
269.04288	1.0
280.07211	1.3
282.05527	1.3
283.09744	2.6
296.07001	1.8
297.04068	3.0
297.07523	1.0
299.02127	1.5
299.09210	1.7
308.06995	2.1
309.07590	2.1
311.09146	1.1
312.06372	4.0
313.05972	1.6
322.08307	1.3
323.09280	4.8
324.06390	2.2
324.09985	2.5
327.08752	9.7
338.11426	1.6
339.08752	16.8
339.12503	2.2
342.11084	10.9
343.11505	1.6
354.11133	4.5
356.12726	1.6
357.13422	21.6
358.13730	2.1
369.09183	1.6
369.13455	19.5
370.13913	2.6
413.74979	1.1
468.30386	0.9
611.11902	1.7
611.21375	24.1
612.21564	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	611.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	22.8
60.86334	1.4
68.99690	14.6
71.01250	4.6
72.99158	2.0
73.02831	1.6
75.00741	4.8
78.95777	2.6
85.02808	7.3
87.00748	1.8
93.03329	2.5
95.01260	3.6
99.00779	2.6
101.02283	1.7
105.03361	1.8
108.02061	1.9
109.02814	4.5
109.82749	1.4
113.02379	3.4
121.02795	1.7
123.00776	11.9
125.02348	10.7
128.55338	1.7
134.03671	2.2
136.01570	20.0
137.02351	10.2
138.03134	21.7
139.03911	4.6
147.00739	2.1
149.02332	6.1
151.00243	4.6
151.03937	20.3
153.01843	11.1
153.05473	35.6
160.01598	2.5
162.03093	3.0
163.00313	3.2
163.03958	3.4
165.01851	11.1
166.02634	9.2
168.04202	53.1
169.01303	2.3
175.00262	10.3
175.03874	2.3
176.01054	25.9
177.01854	19.1
177.05434	2.2
178.02632	13.8
179.03348	2.7
180.04170	5.6
181.05008	10.4
191.03423	28.2
192.04201	37.1
193.01352	23.7
193.04984	18.8
194.02129	2.2
195.06595	2.8
197.04514	2.0
205.04900	2.6
207.06555	48.8
208.03716	39.3
208.06844	2.3
209.04437	5.8
223.06062	100.0
224.06517	6.3
225.07587	1.9
229.73833	1.7
238.04762	4.5
267.06705	1.8
357.09732	3.6
372.11966	2.6
387.14474	17.3
581.20941	3.0
611.21649	38.7
612.22205	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	611.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	63.8
71.58380	50.6
78.53429	31.9
78.95777	100.0
152.99422	49.4
156.89815	34.2
171.10121	56.8
221.01967	29.9
241.08751	36.2
277.21872	33.9
295.22842	40.8
538.38464	31.1
611.38348	69.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	4.7
70.76048	4.7
75.39556	1.7
81.97640	1.8
97.02820	2.7
109.02827	8.0
123.00735	4.7
124.01542	1.9
125.02329	49.5
135.04492	3.1
137.02338	18.4
139.03958	10.5
164.01082	3.8
165.01823	12.7
167.03427	12.8
174.35640	1.8
177.05528	3.4
179.03433	14.4
198.42253	2.1
203.92439	2.1
216.47910	2.2
219.06606	11.4
221.04517	2.7
261.07587	3.4
305.06647	100.0
306.06995	8.0
497.98926	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	611.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03336	4.6
71.57266	7.2
73.92799	4.0
81.03336	16.1
83.01268	12.2
84.63072	4.5
93.03333	6.4
95.04897	11.5
97.02801	6.4
99.04398	6.7
109.02830	5.1
111.04472	4.6
121.02819	5.1
123.04420	31.2
125.02340	43.6
137.02365	13.6
138.03038	4.4
139.03879	5.0
151.03912	5.8
167.03430	59.4
179.03421	11.0
197.04520	11.3
209.04503	100.0
239.05592	78.9
251.05670	5.7
269.06711	30.2
311.07782	8.4
329.08841	18.1
341.08826	5.7
371.07712	40.3
401.08768	20.1
431.09937	6.0
491.11932	9.0
492.12949	5.3
611.15576	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	611.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	3.0
59.01265	2.6
68.99693	1.8
69.03308	1.4
69.06369	1.2
71.01252	3.0
73.02813	1.9
74.14429	1.1
81.03329	12.6
83.01260	11.4
85.02817	4.1
93.03328	4.1
95.01272	4.4
95.04908	7.5
97.02829	10.4
97.71202	1.1
99.04381	7.0
107.04935	3.9
109.02826	4.4
111.00778	2.3
111.04398	3.1
111.63087	1.1
113.02312	2.5
116.83832	1.3
117.03354	4.0
117.58205	1.3
119.04905	2.7
121.02834	5.4
123.00773	2.6
123.04414	29.0
125.02344	34.1
126.02688	2.0
135.04407	3.7
137.02348	13.7
137.05969	3.1
138.03020	1.6
139.03905	5.3
147.04399	3.0
149.00896	1.7
149.02277	1.8
151.03874	5.0
153.01733	1.4
153.05449	3.5
161.02394	1.9
163.03923	3.1
165.01901	1.9
165.05484	4.1
167.03418	45.5
168.03716	1.8
177.01901	1.6
177.05499	1.6
178.02649	1.7
179.03453	11.5
191.03343	2.8
193.05023	2.0
197.04483	13.5
207.02904	1.2
209.04503	100.0
210.04845	4.2
221.04466	3.4
225.07285	1.3
239.05579	75.4
240.05882	2.6
251.05533	5.4
269.06677	29.3
270.07050	2.6
277.03479	2.3
281.06580	3.7
299.07394	1.3
311.07739	10.1
323.07599	2.5
329.08923	17.9
341.08670	6.9
359.09790	6.0
371.07733	36.1
372.07938	3.1
383.07556	2.2
401.08783	27.0
402.09027	3.4
431.09766	8.4
432.10278	1.7
449.12808	5.3
473.10730	5.6
491.12006	14.2
492.12283	2.2
503.12012	2.2
611.15295	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	4.9
59.36003	0.9
63.04699	0.9
69.03336	1.0
71.37859	2.3
78.19066	0.8
78.95745	2.3
95.04890	4.1
109.06459	1.6
121.10118	28.6
122.10448	1.5
123.07960	1.0
125.09576	1.4
127.11176	1.1
133.05693	1.0
149.09579	1.4
171.10175	76.5
172.10562	2.9
177.16454	1.1
183.13728	1.0
183.45032	0.9
185.11803	1.9
203.63191	0.9
207.09947	3.8
209.07912	1.3
223.13300	2.9
231.21140	3.6
261.31415	0.9
275.20151	91.9
276.20465	5.9
278.11362	11.2
293.21216	100.0
294.21619	9.2
297.18369	1.7
315.19400	57.6
316.19754	3.9
329.17310	2.2
359.18307	12.1
450.60336	0.9
487.28992	2.1
609.41278	89.1
610.41669	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	609.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	3.8
57.03323	7.5
59.01251	100.0
60.99184	3.4
65.00194	1.9
71.01254	40.1
71.01614	3.3
72.99200	4.8
73.02822	9.8
75.00753	7.7
83.01271	5.2
85.02829	29.0
86.99651	2.0
87.00744	8.4
88.98699	12.3
89.02320	19.4
95.01264	7.8
96.95908	3.1
97.02866	1.8
98.20190	11.2
99.00764	8.9
101.02342	14.7
107.01282	2.5
107.41148	1.9
113.02335	33.6
114.02622	2.1
119.03386	3.6
119.04983	2.1
121.02863	3.5
125.02363	9.0
129.01860	2.7
129.90065	2.1
139.44511	1.8
142.32198	1.9
143.03403	5.5
145.02855	4.9
148.01617	2.0
149.04424	3.2
151.00252	9.3
161.04454	5.1
163.03893	3.9
165.12811	3.8
169.01421	2.7
170.80504	1.8
178.99832	4.7
179.03416	2.6
183.13850	7.7
192.00562	4.4
194.05681	2.3
199.03903	2.6
207.02968	2.0
209.08165	3.6
211.13313	18.8
227.03436	3.2
229.86504	2.0
243.02867	11.1
249.06445	1.9
255.02980	24.1
267.07306	3.7
271.02490	42.0
272.03000	8.0
283.02570	2.4
300.02747	80.9
300.06137	4.0
301.03418	34.9
302.03955	4.3
361.29568	7.3
397.13513	9.5
415.14426	4.3
461.67575	2.0
463.08838	51.9
464.09232	7.7
477.19592	13.4
505.17798	3.5
505.33850	87.6
506.33942	10.2
523.34857	24.4
565.15741	3.4
565.24896	7.3
565.35840	5.9
609.12756	35.5
609.22742	5.4
610.13245	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	609.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	8.0
57.98278	3.5
59.01252	100.0
60.65546	3.3
60.99191	8.0
69.03301	4.2
69.49342	22.4
71.01260	47.0
72.99164	5.7
73.02829	10.0
75.00748	11.7
78.95778	21.0
80.60539	3.3
83.01250	9.2
85.02830	40.6
86.51947	2.9
87.00761	22.3
87.04366	7.9
88.98688	42.1
89.02326	20.8
95.01264	5.9
97.02844	5.0
99.00780	7.3
100.81302	3.6
101.02317	24.5
104.43328	3.4
108.02062	12.0
109.02838	5.1
113.02350	22.0
119.03387	3.4
119.04900	3.4
121.02845	3.6
125.02337	17.7
133.02869	3.7
134.03552	4.1
137.02289	8.2
143.03429	5.2
151.00311	4.1
151.03983	4.6
152.01088	8.2
152.99498	7.7
161.04488	6.9
165.05522	3.5
169.01361	5.2
177.01747	3.8
179.05450	5.6
195.06609	3.4
203.03462	5.9
209.11787	15.6
211.13354	66.2
218.05859	3.6
227.03484	4.5
233.08165	4.2
271.02328	4.2
285.04092	3.5
300.02725	10.7
359.28067	5.2
361.29639	10.2
363.12045	3.9
397.13666	28.8
415.14420	13.4
473.16953	3.9
477.67203	3.3
505.33868	84.5
506.34122	11.3
521.20294	3.8
523.34808	21.0
609.12726	9.6
609.29651	10.8
610.25220	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	609.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58713	0.9
58.13837	0.9
60.99163	2.7
69.64457	7.5
75.48642	0.9
78.95775	7.8
87.00743	0.9
87.46349	1.0
88.00270	2.5
88.98678	12.6
89.02278	1.4
96.96834	1.6
104.63138	1.1
105.03336	1.1
117.03349	25.7
119.04914	23.3
119.82028	1.0
121.02862	2.7
132.02063	8.7
133.02864	13.9
134.03642	11.2
135.04385	3.6
137.02333	1.0
139.03842	1.3
145.02858	100.0
146.03192	3.8
152.99438	5.3
160.01572	43.6
161.02361	48.7
161.03709	2.4
162.02754	3.2
163.03943	14.5
175.03932	71.7
176.04218	2.6
177.05542	2.3
193.04982	3.3
241.01228	1.9
269.21252	2.9
287.22198	2.9
293.21606	1.0
293.24911	1.7
365.20261	1.0
392.52200	0.9
413.23227	2.3
431.24152	2.8
433.26007	10.1
445.25858	2.0
447.27219	1.0
463.26993	13.4
609.30627	75.9
610.30951	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	609.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33279	1.1
56.29733	0.9
57.03321	1.1
59.01252	6.5
61.98705	14.4
71.01252	4.1
78.95779	61.7
81.03321	1.4
85.02820	3.2
95.63500	1.0
96.95866	1.2
96.96837	12.0
101.02313	1.3
109.02892	1.0
113.02331	2.7
125.02323	4.4
125.05964	1.4
137.02286	2.4
149.02272	1.1
150.03137	2.7
151.00327	0.9
152.99495	81.2
153.99770	1.3
157.08617	1.3
165.01823	1.5
165.09122	6.9
171.00580	2.4
183.13864	2.1
195.13867	8.9
196.14316	1.9
207.10033	1.2
209.08139	24.4
209.11781	1.8
211.13332	4.6
223.00066	6.6
223.09688	1.6
223.13364	7.7
233.08208	4.7
241.01147	26.8
251.09264	2.1
259.02148	1.9
275.20139	3.5
293.21234	46.2
294.21515	3.6
300.02670	1.3
301.03296	1.3
302.79739	1.1
315.04883	12.9
333.05804	2.1
336.12738	1.1
394.30658	1.1
397.13324	1.2
413.14355	2.1
447.21121	1.2
536.29358	1.8
551.91583	1.1
596.16498	1.2
609.26788	100.0
610.27136	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	609.2685
Annotation	Scortechinone P
Peak:m/z	Relative Intensity
59.01260	4.9
59.81807	0.7
61.98700	4.4
69.03318	0.9
69.50806	3.7
69.51212	2.2
71.01241	3.6
78.95779	70.9
85.02828	2.0
89.02303	1.6
96.96842	14.9
99.00796	1.1
101.02334	1.6
105.20959	0.8
111.89219	0.8
113.02311	2.3
125.02319	1.8
137.02335	0.9
149.02327	1.3
150.03140	1.3
150.97974	1.3
152.65140	0.7
152.99495	90.2
153.99902	1.2
164.04762	0.9
165.01773	1.2
165.09131	1.1
169.01355	0.7
171.00517	2.4
176.07262	0.8
177.12682	0.8
179.14268	1.3
189.65443	0.7
195.06522	1.1
195.13835	11.6
196.14427	1.0
205.04817	0.8
205.12315	1.1
209.08136	1.3
211.13385	5.6
215.69696	0.8
223.00105	10.6
223.06122	1.2
223.13367	7.8
228.13509	1.6
241.01155	27.9
259.02213	3.2
264.00537	0.8
275.20132	3.8
293.21228	49.5
294.21573	4.5
315.04886	13.2
333.05963	2.0
373.23581	1.0
397.13312	1.1
609.26703	100.0
610.27112	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	609.2684
Annotation	Scortechinone P
Peak:m/z	Relative Intensity
54.84177	0.7
57.03327	5.9
59.01250	5.2
61.98715	1.3
63.65694	0.7
64.42268	0.6
69.00179	0.9
71.01258	2.0
72.63985	0.7
78.91784	0.9
78.95778	74.2
79.95591	0.8
80.96394	2.4
85.02825	0.8
87.00755	0.8
89.02308	1.0
93.03347	0.8
96.95895	1.4
96.96846	13.6
97.06469	0.9
109.06493	0.9
113.02332	0.8
113.09613	24.2
125.02273	1.2
139.11163	2.7
152.99501	100.0
153.99866	1.4
158.94173	0.8
164.98511	1.0
167.10692	3.1
171.00557	3.5
171.10242	0.9
177.12830	1.1
179.10739	3.0
195.13879	3.1
211.13368	1.0
223.00066	7.4
241.01172	27.6
242.01523	1.3
249.22278	2.5
259.02222	1.7
275.20056	1.0
293.21240	75.6
294.21558	6.4
310.34589	0.7
315.04892	18.5
333.05933	2.3
373.23950	1.1
391.24719	1.5
406.99405	0.8
523.18738	3.2
609.26740	93.1
610.27130	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	609.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49970	1.0
57.03332	1.4
59.01256	7.3
61.98706	27.7
62.75960	1.0
69.03314	1.1
71.01245	4.9
71.18161	2.5
75.00764	1.1
78.95779	69.3
83.01247	1.9
85.02803	2.8
87.00719	1.2
89.02295	1.6
96.95918	1.4
96.96845	12.8
100.96589	1.1
101.02341	2.0
113.02331	2.9
121.02840	1.6
123.08069	1.1
125.02389	5.1
125.05881	1.6
137.02347	2.4
149.02261	2.0
150.03119	2.4
152.99496	81.4
153.99878	1.5
161.02414	1.0
165.01805	3.0
165.05453	2.3
165.09142	6.2
166.09285	1.1
171.00491	2.9
183.13803	1.4
195.06461	1.5
195.13866	10.3
197.31482	1.1
205.12195	1.3
209.08134	16.0
209.11690	1.5
210.08463	1.4
211.13438	5.2
223.00038	9.2
223.13301	7.4
224.13889	1.2
233.08139	4.8
241.01175	27.2
251.09300	2.3
255.48801	1.2
259.02261	2.2
275.20029	3.5
285.04156	1.3
288.06543	1.5
293.21237	48.1
294.21497	3.0
300.02686	1.5
301.03329	1.5
315.04834	13.6
327.40012	1.1
332.03845	1.2
397.13358	2.0
413.14148	1.4
536.29651	1.4
547.18420	1.5
609.26819	100.0
609.36542	3.3
610.27222	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	609.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31686	1.4
59.01242	4.1
61.60048	1.3
71.01292	1.6
71.04898	2.7
71.57642	2.5
71.58020	1.8
78.95775	63.8
81.79642	1.4
82.22661	1.5
96.95903	1.5
96.96837	11.3
101.46014	1.5
152.72247	1.3
152.99483	100.0
171.00565	1.8
205.12082	1.7
223.00076	10.4
223.16943	2.9
235.16968	11.2
241.01164	26.9
275.20135	6.6
293.21194	15.0
294.21579	2.1
312.58780	1.6
315.04852	13.5
333.05972	2.1
480.04504	1.6
544.22913	1.7
609.26721	74.3
610.26843	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57055	2.9
54.01154	2.8
59.01246	16.0
65.00169	3.1
68.62415	2.8
71.57897	6.0
90.47886	2.6
93.03335	5.3
95.01240	5.3
96.95866	3.5
107.01250	5.1
107.38686	3.1
109.02798	6.0
109.99957	5.2
111.00761	3.0
120.19184	3.3
121.02824	11.6
122.03617	6.2
125.02335	16.1
134.03619	3.6
135.00731	3.4
135.04428	3.8
137.02306	11.8
139.00246	5.4
140.16327	2.6
147.04356	4.7
149.02350	4.2
150.03094	5.3
151.00340	15.9
152.01024	3.2
153.01859	4.0
165.05507	21.5
165.98976	6.6
166.99780	5.8
169.01331	6.3
177.01857	5.3
178.99759	13.6
179.07094	5.2
187.03841	3.5
195.06480	4.8
195.75031	3.0
209.00711	2.8
227.03436	9.3
238.93794	2.6
243.02913	16.5
255.02994	39.3
257.04419	3.9
271.02481	56.0
272.03027	11.5
283.02441	13.5
284.03012	3.0
285.04031	5.8
300.02716	84.9
301.03436	36.8
305.06461	3.4
339.06641	2.8
346.14221	5.6
361.12164	6.8
361.16531	69.5
362.16760	6.5
457.13025	3.6
609.14514	100.0
610.14636	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	609.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	7.0
60.99176	7.6
70.69508	1.0
70.97516	2.2
70.97849	1.2
71.01250	7.9
72.99174	3.2
73.02827	1.7
73.95380	0.9
74.72932	0.8
75.00748	1.9
83.01263	2.3
85.02835	3.7
87.00744	2.1
87.60027	0.9
88.98676	48.0
89.02315	3.9
96.95876	1.6
97.02833	1.5
99.00755	2.5
101.02322	4.1
107.01263	31.0
111.00792	1.1
113.02321	4.4
118.26177	0.9
123.00802	5.9
124.01540	1.0
125.02338	70.7
126.02689	1.2
136.98734	1.2
137.02382	1.1
139.00238	1.5
141.61623	0.9
148.05191	13.4
148.31010	1.0
149.05940	1.6
151.00223	2.9
161.04466	1.9
163.03853	1.1
163.07558	10.8
169.01334	100.0
170.01649	2.5
183.02850	1.0
211.13300	5.7
223.38809	0.9
300.02640	1.0
301.03690	1.3
357.13019	1.0
397.13382	3.3
447.22171	2.3
609.18237	72.2
610.18585	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	609.146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.9
57.03315	2.0
59.00973	0.7
59.01238	4.2
60.01798	0.7
69.03316	2.7
69.44069	6.6
71.01254	5.8
72.61707	0.7
72.99179	1.8
73.02824	1.1
75.00753	1.9
81.03310	1.3
83.01273	1.3
85.02811	5.9
87.00743	1.6
89.02351	1.2
93.03329	1.0
95.01273	2.0
97.02832	2.4
98.20563	1.3
99.00768	3.5
101.02336	2.2
107.01271	19.4
108.02070	0.9
109.02846	3.0
111.00787	0.9
112.07947	0.8
113.02341	3.4
119.04918	83.3
120.05261	1.8
123.00806	3.9
124.01580	0.9
125.02340	96.5
126.02651	3.5
133.01350	0.9
133.02907	1.2
133.06558	1.2
135.04399	2.3
137.02357	1.8
145.02841	1.2
149.02335	0.9
151.00272	1.7
152.01022	2.2
161.02332	1.4
161.05943	1.4
163.03922	51.0
164.04224	1.8
165.01785	1.4
165.05429	0.7
167.03363	0.9
168.00513	1.7
169.01338	100.0
170.01677	2.7
175.03804	1.0
177.01807	1.8
179.03339	0.8
188.67053	0.7
189.09122	1.1
191.01834	1.2
200.70216	0.9
205.04967	1.1
209.02913	2.0
223.09706	1.7
228.79359	0.8
283.04758	0.9
284.03186	1.3
285.04007	3.6
324.51108	0.9
328.78809	1.0
405.15167	0.9
417.87018	0.9
445.09903	1.6
447.09610	2.8
457.13474	51.4
458.13791	5.9
565.15845	1.2
609.14575	79.4
609.26233	4.3
610.14709	12.8
617.61505	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28499	0.9
51.82915	1.0
57.03308	1.6
59.01244	4.4
65.00202	2.2
71.01243	1.7
71.10899	2.7
72.15261	1.0
74.02335	1.0
80.73071	1.0
83.01266	1.5
92.16888	0.8
96.32307	1.0
96.95905	1.2
101.02293	1.4
107.01270	3.3
108.02039	2.7
109.02835	1.7
113.02322	1.1
115.97838	0.8
119.04926	4.9
123.00797	1.3
123.04437	1.4
125.02327	10.9
135.00740	1.3
148.01501	1.1
151.00261	8.6
151.03865	1.5
152.39458	1.0
153.01854	2.7
163.03931	3.8
165.01820	1.7
167.03400	1.4
168.00571	1.0
169.01308	7.9
177.01831	2.4
178.99815	9.9
193.01364	1.2
198.33591	1.0
199.03993	1.9
200.04507	1.0
201.05553	1.2
215.03397	1.2
218.12024	1.0
226.02708	1.2
227.03429	9.4
229.05116	1.2
241.05318	1.3
243.02998	10.6
244.03731	1.2
245.09183	1.5
254.02209	2.6
255.02992	37.4
256.03296	2.4
271.02484	51.5
272.02890	4.1
283.02493	1.2
284.03326	16.6
285.03995	8.7
299.01950	2.5
300.02750	100.0
301.03262	14.3
303.05084	1.2
305.06665	1.3
364.50467	1.1
461.14465	2.1
463.08511	1.5
609.14624	58.8
610.14819	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	609.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.2
59.01252	4.3
67.01774	1.0
70.34692	2.5
70.35098	1.8
71.01246	5.2
72.99182	1.2
74.94557	0.7
75.00738	2.3
79.01762	1.1
83.01243	2.0
85.02829	5.2
87.00716	1.5
89.66084	0.8
92.59235	0.8
93.03353	2.5
95.01261	1.5
97.02832	2.0
98.20452	0.9
99.00771	1.8
101.02347	1.4
107.01273	8.5
108.02026	1.3
109.02833	3.7
111.00757	1.7
113.02309	2.4
117.03358	4.7
119.04921	16.5
121.02828	2.0
123.00735	2.7
124.01533	2.3
125.01437	1.8
125.02347	33.5
126.02676	1.2
133.02867	4.1
135.00790	1.0
135.04411	3.4
137.02324	4.2
139.03914	1.1
145.02861	1.1
149.02347	3.4
151.00273	3.9
151.03891	2.6
152.01096	0.9
159.04411	1.1
161.02316	2.6
163.00224	2.5
163.03929	10.8
164.01016	2.1
165.01826	3.9
166.02473	0.9
167.03433	1.8
169.01347	43.0
170.01735	1.1
171.04451	1.3
173.02328	1.1
175.00198	0.9
175.03941	3.1
177.01810	4.9
179.03406	3.6
180.00505	1.3
189.01833	1.7
191.03372	2.7
193.01337	1.1
193.04977	1.1
195.02924	1.6
197.06052	1.3
201.01921	2.1
203.03342	1.7
205.01411	1.3
205.04868	1.4
207.02888	4.4
207.05025	2.2
209.02859	1.2
210.45477	0.9
213.05566	1.0
217.01338	1.1
217.04756	1.0
219.02876	3.1
220.03659	1.7
221.04405	1.6
225.05617	1.7
231.02873	1.7
233.04558	1.1
235.02522	1.2
239.07127	1.4
241.04988	2.4
249.04037	3.3
253.05005	4.0
255.02954	1.8
255.06612	2.8
261.04089	1.4
263.02072	0.8
267.06912	1.4
269.04514	3.1
270.05258	1.3
277.03671	0.9
279.05020	1.9
281.04623	6.1
282.05154	1.9
283.02734	1.2
283.06070	3.4
284.03275	1.1
285.04089	6.1
289.04453	0.9
295.06052	2.3
297.04010	4.5
298.04825	22.8
299.05499	5.2
301.03378	1.0
301.80576	0.9
309.04074	1.5
310.04532	1.2
311.05563	4.8
312.06342	3.8
313.03455	9.0
313.07092	4.9
323.05527	0.9
325.07059	1.1
326.04266	7.3
327.04721	10.4
330.03830	3.2
339.05042	7.5
340.05423	1.0
341.06561	4.3
351.04935	2.0
353.06628	2.8
356.05331	1.1
369.06070	23.3
370.06598	1.7
371.07709	1.1
381.06079	4.0
383.07907	1.3
399.07162	15.3
400.07797	1.0
411.07272	1.4
429.08087	3.0
441.08365	1.7
446.08536	10.4
447.09045	3.9
457.13626	2.4
459.09293	2.5
471.09677	2.4
477.10379	1.0
489.10394	72.6
490.10812	9.3
519.11438	10.0
565.15857	5.1
566.16309	1.0
591.13501	2.6
609.14581	100.0
609.26172	3.0
610.14905	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	609.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82720	1.6
55.22890	1.4
59.01256	9.6
61.71283	2.0
63.02272	1.7
66.43551	1.4
70.26674	6.0
71.01257	10.5
72.99185	2.6
75.00744	3.0
83.01270	1.8
85.02802	8.0
87.00763	3.6
89.02322	6.0
99.00820	1.5
101.02337	4.7
107.01279	5.0
113.02319	3.8
118.31918	1.6
119.03458	3.0
119.04941	9.9
123.00745	3.0
125.02343	25.0
135.02849	1.7
135.04369	1.8
137.02322	2.4
151.00287	3.2
161.04663	1.7
163.03937	7.5
165.01816	2.4
168.03780	2.1
169.01324	22.0
179.05463	2.1
183.04440	2.3
227.03490	5.0
255.00269	2.2
255.02995	45.0
256.03381	3.8
266.94000	1.5
283.02487	100.0
284.03104	18.3
285.04047	80.3
286.04355	5.8
297.04279	1.9
298.04825	2.6
301.03296	2.1
313.05862	1.7
327.05096	3.5
446.08578	16.4
447.09293	54.0
447.15500	3.1
448.09598	6.0
457.13562	4.6
489.10413	5.0
549.25568	14.0
609.14612	53.3
609.27319	5.9
610.14929	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	609.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52036	0.6
56.08944	0.6
65.00187	1.3
65.66616	0.6
68.86591	0.7
69.77040	4.1
79.83318	0.6
83.01255	1.5
85.02831	0.7
93.03322	0.7
106.06183	0.7
107.01258	2.7
108.02061	1.4
109.02839	1.9
113.02388	1.4
113.09377	0.7
121.02812	1.2
124.64497	0.6
148.01547	1.0
151.00279	12.6
152.01057	0.7
163.00255	2.4
164.01047	1.1
169.01292	0.9
178.99791	6.8
183.04350	0.9
183.34079	0.8
199.03902	1.1
211.04024	1.2
216.04277	0.9
226.02634	1.2
227.03471	3.9
243.02950	10.7
244.03500	1.1
245.04460	1.0
254.02132	2.4
255.02965	26.1
256.03342	2.7
271.02487	58.9
272.02914	4.8
273.04141	0.9
283.02536	1.5
299.01767	1.6
300.02759	89.9
301.03464	41.5
302.03879	3.0
343.04544	0.9
609.14636	100.0
610.14960	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	609.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.5
60.09819	0.2
63.02267	0.5
65.00196	1.4
71.01272	0.3
74.02353	0.3
83.01269	0.8
91.01773	0.5
95.01251	0.4
107.01273	2.3
108.02064	1.0
109.02842	1.1
121.02853	1.4
124.01567	0.6
125.02374	1.3
128.78885	0.2
135.00764	0.8
139.04007	0.3
148.01573	1.3
149.02342	0.4
149.99535	0.3
151.00273	10.0
151.03908	0.2
153.01834	0.5
163.00287	1.7
163.03906	0.4
164.01060	0.6
167.03368	0.3
169.01331	1.8
175.03973	0.3
177.22736	0.2
178.99786	5.9
183.04475	0.7
187.03964	0.6
190.02655	0.3
190.99803	0.4
192.00543	0.4
195.06464	0.3
199.03961	0.6
203.03456	0.4
211.03940	1.1
215.03516	0.4
226.02655	1.1
227.03462	2.9
229.04976	0.6
243.02963	11.0
244.03381	1.1
245.04547	0.7
245.09297	0.5
254.02135	2.0
255.02979	28.4
256.03375	1.5
271.02484	55.8
272.02945	5.5
273.03925	0.9
283.02481	0.7
285.03922	0.3
299.02029	1.7
300.02740	93.3
301.03442	33.0
302.03885	1.9
303.04984	0.4
343.04590	1.0
442.38870	0.2
609.14594	100.0
610.14911	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	609.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00152	1.1
69.44560	4.1
69.44981	6.1
71.01251	3.3
71.22215	1.0
75.70733	1.3
79.01789	1.4
82.74100	1.2
83.01242	2.3
86.64085	1.2
90.77679	1.1
97.02804	1.6
107.01240	6.5
109.02811	5.6
119.04905	23.5
121.02859	2.2
125.01437	2.3
125.02325	37.4
126.02681	1.6
133.02843	16.4
135.04416	3.1
137.02330	2.8
147.04480	1.5
149.02306	2.9
149.06009	1.2
151.00218	1.6
151.03905	1.5
153.01845	1.7
161.02339	2.5
161.05986	2.2
163.03938	16.3
164.37041	1.3
167.03419	1.5
169.01335	31.8
170.01758	1.7
175.03951	6.2
177.01878	8.8
177.05481	1.3
179.03481	2.1
189.01959	1.6
190.02635	1.4
191.03389	2.4
193.01393	2.1
201.01814	2.1
203.03387	2.1
205.05069	1.8
213.05547	2.0
226.06248	1.3
227.03511	1.2
229.05014	1.2
233.04561	2.3
239.07126	1.4
241.04980	1.5
255.17586	1.2
257.04486	1.6
271.02380	2.0
283.06033	1.9
293.04425	1.5
294.50571	1.3
295.06042	2.1
297.04044	4.8
298.04794	15.1
299.02213	2.8
299.05548	6.7
301.03568	2.5
303.05185	1.3
305.06812	2.6
309.04025	2.4
310.04947	2.8
311.05597	11.9
312.06354	13.2
313.07108	14.2
323.05685	3.9
325.06995	3.1
327.05078	11.8
330.31281	1.2
339.05109	21.5
340.05316	1.6
341.06622	11.8
344.05267	2.5
351.05109	2.9
353.06516	4.6
357.06180	3.6
369.06116	68.3
370.06537	6.9
371.07776	1.8
372.04303	1.4
381.06262	9.3
382.06104	1.6
383.07672	1.5
399.07190	44.7
400.07550	6.8
411.07422	5.6
423.07196	2.9
429.08240	10.1
441.08331	3.5
453.08292	2.1
457.13327	11.1
459.09396	1.3
465.08032	1.4
471.09250	2.3
489.10342	54.3
490.10776	5.2
501.10849	1.2
519.11377	16.2
520.11438	2.1
587.87347	1.4
591.13684	3.0
609.14581	100.0
610.14838	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	609.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60614	1.5
58.02851	7.8
60.43303	1.4
70.02850	8.5
70.39797	7.1
74.02345	41.3
77.68839	1.7
90.13568	1.3
96.44988	1.8
98.02339	8.7
105.91941	1.6
107.01269	2.9
116.03436	13.1
116.04940	14.9
119.04914	10.1
125.02350	22.3
130.09804	1.6
137.02417	1.8
142.06548	3.8
142.88843	1.4
147.00703	2.0
147.34535	1.6
151.00270	4.5
153.01881	3.8
159.09218	4.3
163.03912	8.8
165.01883	2.6
169.01308	12.5
175.00282	4.3
178.99760	8.8
191.03452	2.7
193.01346	19.8
201.10339	3.9
203.08221	44.8
204.08636	2.3
215.03435	1.9
245.09277	100.0
246.09561	6.5
257.04599	2.1
266.95239	1.6
301.03641	3.5
399.13690	1.6
457.13574	4.1
465.04916	2.4
609.14594	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	609.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60593	0.7
59.01255	5.2
63.02272	1.3
65.00189	3.6
71.01257	2.5
73.02814	1.7
83.01283	2.1
93.03326	3.5
95.01272	1.2
99.00738	1.3
101.02329	2.4
107.01270	3.1
108.02074	1.0
109.02835	2.4
109.99994	2.0
111.00774	2.2
112.88150	0.8
117.03327	1.5
123.00748	2.1
124.01569	1.7
125.02332	7.5
133.02802	1.0
136.98674	1.5
137.02368	3.4
137.99414	1.2
139.00298	3.7
145.02855	1.5
149.02310	1.6
150.03098	3.1
151.00266	10.3
151.03876	1.6
152.01064	4.4
153.01854	2.6
159.04367	1.3
160.20702	0.8
162.03116	1.6
162.47778	0.8
163.00262	3.4
163.03941	1.0
165.05489	1.8
165.98990	4.5
166.99741	3.1
168.00624	1.0
169.01378	6.4
171.04517	1.6
175.03931	1.0
177.01909	1.2
177.05478	1.6
178.99774	7.6
180.00038	1.3
183.04471	2.7
185.06032	1.2
187.03964	3.2
193.05026	0.9
193.98369	1.0
195.06502	1.1
199.03908	1.9
201.05537	1.8
209.00850	1.6
209.08058	1.3
211.03940	2.7
215.03445	2.1
226.02563	2.1
227.03426	8.9
228.04041	1.5
229.04912	2.3
239.03548	1.5
242.08946	1.2
243.02946	13.3
244.03568	2.5
245.04514	2.0
254.02182	3.1
255.02969	34.8
256.03375	4.2
257.04523	3.7
271.02448	40.1
272.03098	9.9
273.03842	2.1
282.01785	1.5
283.02530	10.2
284.02988	2.4
285.03973	6.0
285.07114	1.5
299.01929	3.0
300.02740	66.5
301.03491	50.1
302.03729	4.7
303.05313	1.0
304.06470	1.1
357.13315	1.6
415.42645	0.9
433.55737	1.0
457.17166	1.3
591.13312	1.6
609.14581	100.0
610.14801	15.9
623.17419	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.0
63.02254	0.7
65.00201	2.2
69.35151	3.3
71.01241	1.6
83.01263	1.7
85.02823	0.7
87.00742	0.7
89.02324	1.0
93.03342	0.6
95.01237	0.3
98.19899	0.7
101.02343	1.1
107.01274	3.9
108.02068	1.5
109.02843	2.1
113.02319	0.7
117.03453	0.4
119.04948	0.4
121.02841	3.1
123.00749	0.4
124.01523	0.3
125.01368	0.3
125.02331	1.2
133.02866	0.5
135.00768	1.0
135.04395	0.8
145.02872	2.5
147.86659	0.3
148.01587	1.6
149.02379	0.7
151.00281	14.7
151.01506	0.7
152.00626	0.6
159.04401	0.5
161.02411	0.9
162.00549	0.4
163.00302	3.0
164.01022	1.0
169.01399	0.8
173.64349	0.4
175.04047	0.5
178.99777	7.4
179.03435	0.5
181.05006	0.6
183.04434	0.9
183.13821	0.4
187.03960	0.8
190.99741	0.7
192.00584	0.6
193.01163	0.4
199.03951	1.5
201.05501	0.5
203.03482	0.9
205.05075	0.4
211.03970	1.6
211.13336	2.5
213.01936	0.5
215.03456	1.0
216.04160	1.3
226.02693	1.3
227.03488	4.9
228.03961	0.6
229.01489	0.4
229.05061	1.3
239.03336	0.5
243.02956	12.4
244.03368	1.3
245.04530	1.3
254.02223	2.0
255.02977	33.2
256.03387	2.5
257.04492	0.5
271.02484	64.6
272.02954	6.9
273.03970	1.1
283.02499	1.6
284.03223	1.2
285.04001	3.0
299.02039	2.0
300.02747	100.0
301.03470	51.6
302.03842	3.5
307.08090	0.5
323.07654	0.5
343.04382	0.7
396.01599	0.4
397.13559	1.2
415.14645	0.4
447.16553	0.3
447.22556	0.8
463.08829	66.8
464.09174	7.5
477.19809	0.7
609.12463	53.6
610.12823	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	609.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.9
57.03322	7.1
58.03666	0.6
59.01243	7.0
63.02264	1.2
65.00221	1.3
69.34134	6.7
71.01257	7.8
73.02833	2.2
78.57645	0.6
78.95797	0.9
83.01266	1.7
85.02844	2.8
87.00796	1.1
89.02345	2.2
95.01302	1.0
97.02858	0.7
99.00800	2.0
99.04392	1.4
101.02325	5.2
107.01263	3.2
108.02112	1.2
109.02847	1.8
111.95392	0.7
113.02332	2.4
117.03361	0.9
119.03381	1.1
119.04902	0.8
121.02864	3.7
125.02322	2.3
133.06497	1.9
135.00761	1.3
145.02884	2.2
148.01582	1.3
151.00282	14.9
161.04463	1.4
163.00285	3.7
164.01051	1.1
169.01352	1.9
171.04462	0.7
178.99785	7.2
187.04126	0.6
199.03917	1.8
211.03938	1.6
211.13301	4.0
215.03426	2.1
226.02678	1.7
227.03409	3.8
229.05029	1.0
243.02933	11.4
244.03358	1.2
245.04587	1.2
254.02174	2.4
255.02953	28.4
256.03268	2.3
271.02466	60.6
272.02933	6.9
273.04007	1.1
283.02478	2.0
299.01953	1.7
300.02740	100.0
301.03470	54.8
302.03879	2.4
360.15063	1.0
397.13306	2.2
415.14554	1.3
463.08807	70.5
463.80920	0.7
464.09073	7.3
465.19485	0.8
483.18582	1.1
505.33801	1.9
526.64777	0.7
528.27368	1.7
528.77679	0.9
535.09747	0.6
565.22223	0.8
609.12366	40.4
609.28339	2.4
609.79993	1.4
610.12799	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	609.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	12.8
59.01248	1.7
59.07854	1.5
65.39729	1.4
69.41560	1.2
70.70612	3.4
81.03335	2.3
83.01252	3.7
92.35933	1.7
93.03350	3.0
95.01279	2.6
97.02856	2.4
107.04937	2.0
109.02839	11.1
111.04415	3.0
121.02825	7.3
123.00758	3.3
123.04401	2.3
124.01528	2.0
125.02335	100.0
126.02669	1.6
133.02798	3.1
137.02345	23.2
138.03180	1.7
139.03900	13.5
149.02296	8.2
151.03896	5.9
159.04288	1.5
161.02380	3.0
163.03889	3.3
164.00993	2.7
165.01848	14.0
167.03423	12.9
175.03912	7.9
177.01848	78.7
177.05322	3.4
178.02393	2.8
179.03377	8.7
187.03958	5.9
191.03458	2.3
193.04953	1.7
199.03937	2.0
201.05476	2.7
203.03510	1.5
204.04041	1.6
215.03442	3.9
217.05035	2.2
219.06502	7.2
221.04507	4.5
223.85072	1.4
229.05078	3.6
237.07916	1.3
243.02814	7.3
255.02957	17.5
256.03625	4.4
257.04523	3.6
261.03967	2.3
261.07642	2.4
267.07050	2.0
269.04434	2.0
273.04041	6.1
281.75241	1.6
283.02451	8.7
285.04013	3.0
297.04022	5.2
303.05063	6.9
305.06650	70.8
306.07040	4.5
315.05148	2.2
355.08096	2.9
402.16464	1.6
404.12387	1.5
423.07217	84.0
424.07516	8.2
441.08316	16.5
442.08453	2.4
465.08197	2.5
483.09494	4.1
543.51929	1.6
609.12311	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1247
Annotation	Prodelphinidin B5
Peak:m/z	Relative Intensity
53.70771	0.8
57.03319	10.6
62.96188	0.9
69.03332	0.9
70.08961	3.2
70.09386	1.7
81.03344	1.7
83.01262	2.3
93.03329	2.7
95.01215	1.5
97.02819	2.4
105.03367	1.2
109.02840	12.5
111.04372	1.5
121.02814	4.3
123.00774	3.5
123.04430	1.3
124.01540	2.4
125.02335	100.0
126.02644	3.6
133.02843	1.7
135.04445	1.2
137.02347	22.8
138.02953	0.8
139.03938	10.8
149.01337	1.0
149.02335	7.5
151.03911	3.4
159.04449	1.3
161.02390	3.0
163.03882	2.3
164.01022	4.3
165.01845	12.6
167.03400	11.9
168.03789	1.1
173.02379	0.9
175.03880	6.1
177.01855	70.0
177.05431	2.5
178.02222	3.9
179.03416	9.1
187.03934	2.8
191.03409	1.8
199.03986	1.8
201.05508	1.1
203.03419	3.4
204.04147	1.4
205.01320	2.2
205.04976	1.4
211.04012	1.1
215.03441	2.0
217.05089	2.0
219.02945	1.0
219.06595	6.5
221.04503	4.1
228.04146	1.2
229.05063	3.9
243.03058	4.7
253.05157	1.4
255.02988	12.3
256.03625	3.2
257.04523	2.8
259.06021	1.2
261.03970	2.0
261.07599	1.9
269.04471	1.9
273.04031	7.1
283.02502	7.7
285.04016	3.1
287.05646	1.1
297.03976	5.0
298.04443	1.5
299.02158	1.8
301.03537	1.4
303.05081	5.4
304.05435	1.3
305.06668	60.9
306.07037	4.1
315.05014	1.6
355.08270	1.3
423.07214	54.1
424.07321	5.9
441.08298	14.1
463.08490	1.6
467.90613	1.1
483.09384	5.6
609.13354	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	609.1247
Annotation	Prodelphinidin B5
Peak:m/z	Relative Intensity
57.03326	8.4
69.33595	6.6
69.34023	7.6
75.88755	1.4
81.03314	3.1
83.01274	2.9
86.02070	1.5
93.03370	3.1
97.02838	2.1
98.20613	2.6
99.33201	1.5
107.04935	1.8
109.02833	12.9
111.04452	2.7
121.02857	6.5
121.19357	1.3
123.00791	3.3
123.04434	2.5
124.01585	2.2
125.02333	100.0
126.02697	2.2
127.83084	1.3
133.02872	3.3
135.04353	1.6
137.02350	24.7
138.03175	1.7
139.03897	13.1
145.93488	1.3
149.02318	8.8
151.03960	6.6
161.02190	1.3
163.03929	2.8
164.01074	2.7
164.07063	2.4
165.01831	12.2
167.03400	12.9
175.03947	6.0
177.01851	76.7
177.05464	3.2
178.02318	3.5
179.03404	8.1
187.03925	4.3
191.03391	1.8
199.04086	2.0
201.05516	1.7
203.03328	2.2
204.04146	2.3
205.01398	1.8
205.05132	1.6
211.03949	3.0
215.03494	3.8
217.04990	2.3
218.99016	1.4
219.02977	1.5
219.06560	7.2
221.04457	7.2
227.03485	2.7
229.04999	4.4
243.02946	7.0
255.02966	22.6
256.03671	5.9
257.04605	3.8
261.03995	2.5
261.07703	2.5
269.04514	2.8
273.04080	4.8
282.17233	1.8
283.02448	12.0
285.04077	3.7
286.04285	1.7
288.02692	1.7
292.96472	1.5
297.04010	8.4
303.05090	5.5
305.06662	63.8
306.07034	3.9
355.08389	1.9
397.09247	2.2
423.07211	80.1
424.07437	9.2
425.06644	1.6
441.08261	14.4
442.08423	2.4
483.09259	2.6
609.12482	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29539	1.2
57.03325	11.6
70.24147	5.6
81.03345	2.1
93.03326	2.8
96.53997	1.5
97.02808	1.8
102.15972	1.3
109.02826	10.6
111.04421	1.9
121.02847	4.4
123.00762	4.0
124.01511	1.6
125.02332	100.0
126.02663	3.6
133.02791	2.2
137.02348	23.0
139.03891	11.0
149.02377	7.7
151.03847	3.8
163.03938	3.1
164.01086	4.3
165.01874	13.7
167.03395	13.9
171.44044	1.6
175.03937	6.4
177.01851	72.8
177.05336	2.3
178.02229	5.5
179.03461	8.6
187.04021	3.0
187.21375	1.5
199.03969	3.1
203.03339	2.4
211.04015	2.5
215.03432	3.5
217.04961	4.1
219.06546	7.4
221.04510	7.1
227.03606	2.4
229.04991	4.3
243.03043	8.5
255.02957	17.4
256.03717	3.6
257.04572	2.5
261.04068	2.6
261.07578	3.8
269.04529	2.6
273.04077	3.6
283.02493	11.0
285.04111	4.6
285.07236	1.5
297.04022	6.6
303.05127	5.4
305.06659	57.7
306.07050	3.6
311.77087	1.9
315.05142	2.2
355.08179	2.6
423.07193	65.8
424.07645	8.1
441.08127	14.8
483.09360	3.8
609.12311	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60578	2.9
53.64314	2.9
57.03317	4.8
58.02842	8.9
68.90940	2.7
70.02837	5.1
70.88895	9.8
72.00810	3.4
74.02343	36.8
76.34041	2.8
83.01279	3.0
94.28124	3.1
98.02353	9.4
102.94447	3.1
116.03429	12.6
116.04943	10.8
119.04886	5.0
125.02341	34.2
132.31979	3.1
137.02347	9.5
139.03912	4.5
142.06538	4.2
151.00276	13.2
153.01849	11.2
163.03874	4.0
165.01820	7.3
167.03409	5.4
169.01340	4.4
175.00307	15.8
175.01578	2.9
177.69167	3.2
178.99763	12.3
190.43922	3.1
191.03351	7.5
193.01347	83.5
201.10304	4.6
203.08217	41.5
215.03456	5.7
233.15726	3.1
234.75714	2.9
245.09286	100.0
246.09578	9.4
257.04495	5.2
289.07214	15.1
301.03458	10.0
319.04532	11.4
327.05005	4.4
399.06763	4.7
451.21725	3.5
489.10651	7.8
609.14929	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	609.1242
Annotation	Kaempferol 3-(6''-caffeoylglucoside)
Peak:m/z	Relative Intensity
54.44806	2.0
57.03320	8.1
66.14123	1.9
66.93701	1.7
69.51288	6.8
69.51709	9.6
79.26051	1.5
82.28190	1.7
83.01284	2.9
97.02854	2.8
107.01266	5.8
109.02821	11.2
119.04921	19.1
121.02862	3.5
123.00776	2.5
124.01601	2.9
125.02332	100.0
126.02664	4.3
133.02777	2.4
137.02325	19.7
138.03084	1.9
139.03897	8.1
144.64929	1.8
149.02351	7.2
151.03992	2.7
162.75063	1.8
163.03917	16.8
164.01068	2.2
165.01859	13.0
167.03401	7.9
169.01361	27.2
175.03926	5.4
177.01854	63.9
177.05499	2.4
178.02213	3.6
179.03400	6.8
187.03928	4.4
197.40462	2.2
199.03931	2.7
203.03340	2.7
215.03470	2.8
219.06563	5.1
229.04965	2.9
243.02798	2.7
255.02875	9.6
256.03607	3.2
261.04117	2.1
271.02377	5.0
273.04068	8.0
280.03833	1.9
283.02432	5.3
285.04056	2.8
299.01913	6.3
299.05103	2.2
301.03506	7.4
303.05103	6.7
305.06635	53.5
306.07007	3.7
315.05093	2.9
392.25000	2.7
423.07153	50.3
424.07559	6.8
441.08246	12.8
442.08548	3.2
457.13342	15.8
458.14282	2.9
483.09177	3.3
609.14392	33.3
610.14063	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	608.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	1.3
60.99176	16.4
62.01152	0.7
78.95778	13.5
87.00746	0.7
88.00265	2.4
88.98678	100.0
89.02317	8.2
89.99017	0.9
96.96844	2.7
98.20567	1.2
101.17576	0.7
101.33153	0.7
124.99992	0.9
134.04622	1.3
152.99457	1.3
168.07343	0.7
254.95886	0.7
278.86966	0.8
279.23276	3.8
291.94052	0.7
346.05518	7.1
460.95193	0.8
506.41367	0.9
527.28625	1.5
596.18335	0.8
633.47076	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	0.5
60.99181	18.0
66.18106	0.5
78.95773	4.9
79.66811	0.6
87.00755	1.1
88.00285	2.7
88.98679	100.0
89.02320	12.4
89.99028	0.8
98.20586	0.8
152.99477	1.6
167.03372	1.0
171.54677	0.6
197.11800	1.0
279.23242	4.0
504.30466	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.4
57.03316	5.1
58.00434	2.6
59.01254	100.0
60.52959	1.9
71.01257	41.4
71.59041	3.4
72.99185	5.0
73.02830	8.7
73.20052	1.7
75.00746	8.1
79.29174	1.9
83.01246	6.3
85.02827	26.8
87.00761	6.8
87.90394	1.8
89.02330	9.1
95.01264	5.0
96.73981	2.0
98.48072	1.8
99.00771	5.4
101.02339	19.4
109.02839	2.2
111.00806	2.1
113.02342	28.0
115.00272	1.7
119.03378	2.6
119.04970	1.7
121.02856	2.8
121.10107	2.2
124.01579	2.5
125.02313	9.5
137.02324	3.5
145.02921	1.8
151.00305	1.8
152.01154	1.7
157.12236	4.3
161.02397	2.2
161.04466	6.4
163.03824	2.4
165.05505	2.9
169.01334	3.0
175.02373	2.7
177.01892	2.8
183.13817	2.1
189.60861	1.8
192.72296	1.9
195.06584	3.1
200.56544	1.7
201.14897	2.0
221.25073	1.7
245.99156	1.7
301.03543	2.8
315.01599	2.4
327.18210	2.3
345.19040	2.0
359.28036	2.6
413.08661	2.3
427.10022	2.8
431.09683	7.4
485.30615	2.8
503.24838	4.2
503.32275	76.6
504.32950	10.2
521.33282	21.9
563.23517	6.6
607.27142	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	607.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	3.8
59.01252	100.0
61.18305	2.2
67.95428	2.4
69.28178	30.1
71.01261	45.3
71.81100	2.4
72.99180	6.3
73.02822	8.5
75.00730	4.8
75.20138	2.6
83.01276	4.8
83.13390	2.6
85.02821	19.4
87.00746	6.9
89.02327	10.3
93.98325	2.2
95.28928	2.3
97.50906	2.2
98.20173	12.0
99.00755	5.6
101.02313	17.4
109.18510	2.7
111.00758	2.8
113.02333	24.0
119.03404	4.6
121.02807	4.9
125.02338	8.3
137.02333	4.1
143.03378	4.6
161.04428	6.0
172.28436	2.5
185.47252	2.6
187.13383	3.7
195.06546	3.4
232.73315	2.5
280.08463	2.7
287.01935	4.3
312.32495	2.8
431.09689	3.4
503.32309	85.5
504.32758	15.3
521.33301	19.9
577.05621	3.0
608.27136	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	607.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67739	5.6
59.01250	17.7
71.57549	10.9
72.99181	6.2
78.95770	6.0
85.02825	10.3
86.89878	5.8
91.38612	6.8
119.04908	10.0
121.02847	10.1
125.02335	18.6
139.00319	9.4
148.31290	6.7
150.03120	11.0
153.05252	6.2
159.04358	9.6
160.05168	28.9
161.06033	6.7
163.03909	19.8
167.03366	7.2
175.04068	6.6
175.07574	26.6
177.01799	9.6
177.05501	14.1
178.06276	6.2
239.99693	5.7
302.55344	6.9
303.04910	8.5
329.13925	100.0
330.13901	8.7
453.09589	6.5
607.26318	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	607.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35972	0.3
50.79482	0.4
53.69574	0.3
57.03313	0.9
59.01250	3.1
63.02269	0.6
63.34973	0.3
65.00195	0.3
67.01747	0.5
68.99664	0.5
69.51653	0.6
69.51984	2.9
71.01258	1.3
72.99188	0.5
73.02802	0.6
75.00742	1.0
77.97327	0.3
83.01250	1.0
85.02832	8.2
87.00743	1.0
87.10206	0.4
89.02325	1.1
89.70390	0.3
93.03326	1.8
93.09991	0.3
95.01263	1.4
98.20609	0.6
98.50909	0.3
101.02293	0.7
103.03851	0.5
107.01267	1.4
109.02824	1.2
111.00755	0.7
113.02338	12.3
115.00282	0.8
117.03367	0.5
118.02934	0.3
123.04399	0.3
125.02309	0.6
135.00723	0.8
137.02324	0.9
139.00276	0.7
143.03410	0.4
143.04915	1.2
151.00287	1.8
153.01833	0.6
154.04173	0.3
157.01299	1.5
157.06477	0.9
159.04419	1.3
163.00291	2.0
163.05850	0.3
164.01053	0.4
165.01920	0.6
167.04956	0.7
169.01399	0.4
169.06503	1.0
171.04431	0.8
175.03967	0.3
178.99771	0.5
183.04378	0.5
185.06064	3.0
187.03891	3.5
187.64421	0.3
189.05472	1.3
192.00467	0.4
193.01326	0.9
193.05006	0.7
195.04436	0.7
197.06053	0.7
197.65627	0.3
199.03925	0.9
201.05574	0.6
209.11877	2.0
211.03960	1.7
213.05498	1.8
214.02647	0.4
215.03409	0.6
223.04071	0.5
227.03461	3.4
229.05043	12.2
230.05424	0.9
239.03464	1.1
240.04214	1.0
241.04962	1.6
255.02975	3.4
256.03705	1.0
257.04556	6.3
258.05020	0.5
267.02927	0.7
284.03299	4.9
285.04050	100.0
286.04398	8.4
316.02243	0.5
329.13678	0.5
374.22147	0.3
397.13327	0.6
399.07254	4.2
400.07663	0.5
413.08826	1.3
415.14484	0.5
431.09772	1.9
443.06186	1.2
559.49377	0.3
607.12964	1.5
607.26038	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	2.7
57.03328	15.6
59.01251	33.8
63.02264	6.9
65.00197	8.4
67.01765	5.1
69.03324	10.7
69.54408	3.8
69.54803	19.3
71.01264	30.3
72.99184	21.6
73.02802	7.4
75.00762	14.7
81.03355	3.1
81.85809	2.5
83.01253	10.5
85.02827	31.8
87.00756	7.6
89.02322	8.9
91.05453	2.6
92.39583	2.7
93.03333	8.7
95.01277	11.1
96.95869	3.9
97.02834	3.8
99.00735	6.3
99.04344	3.2
101.02325	9.3
103.00245	10.4
105.03336	3.2
107.01267	21.9
109.02830	21.7
111.00788	3.5
111.04390	4.1
113.02338	35.5
115.00213	3.0
119.04901	3.4
121.02819	10.2
123.00755	4.0
123.04415	5.5
124.01558	2.4
125.02342	100.0
126.02705	3.0
129.01817	2.8
129.82666	2.8
131.03445	3.6
133.02847	3.9
135.00783	4.4
135.04411	2.8
136.05162	4.4
137.01375	4.0
137.02348	43.8
138.03091	3.1
139.03888	4.9
141.70195	3.1
147.00751	10.5
147.04366	4.4
148.01604	2.8
149.02342	10.6
150.99139	4.7
151.00285	74.5
151.03931	5.8
152.00978	5.5
153.01860	3.6
159.04370	3.4
161.02292	7.2
163.00287	22.7
163.03938	6.2
163.07516	3.4
164.01077	15.1
165.01857	21.7
166.02618	3.1
167.03410	16.1
168.99973	3.2
169.01343	52.4
170.01805	3.1
175.00278	20.0
175.02487	6.3
175.03851	5.9
176.00970	5.2
177.01868	46.7
178.02443	3.2
178.99791	84.9
179.03323	7.1
181.08600	6.4
181.78607	2.7
187.03905	3.2
189.01872	5.3
189.05481	12.3
190.02654	5.7
191.03455	20.5
193.01341	94.3
193.03424	43.1
193.05016	5.7
194.01738	3.4
199.03944	2.6
201.01860	3.9
203.03416	4.7
204.04483	2.6
205.01385	80.7
206.01923	6.0
211.03946	3.2
215.03442	11.3
215.07031	3.6
217.01451	4.9
217.05060	3.5
219.02979	5.7
219.06566	4.0
221.04329	3.1
229.04857	3.9
231.06717	3.2
233.04413	3.9
239.03479	3.2
243.02969	8.6
245.04434	4.7
255.02942	8.6
257.04596	6.9
259.02228	4.0
261.03964	3.5
261.07648	3.3
271.02396	3.5
283.02466	6.2
285.04047	6.3
287.02026	5.8
289.03568	3.7
297.04053	5.2
299.05521	3.8
300.02740	4.3
301.03543	47.8
303.05081	6.4
305.06656	28.4
306.07254	4.4
315.01361	3.8
316.02097	13.3
319.04663	4.1
323.05569	5.3
341.06860	5.8
343.04749	13.5
351.08661	3.4
367.07935	3.1
369.10049	15.4
385.09442	6.8
387.10849	57.6
388.11041	4.4
395.07733	4.5
403.04529	4.3
413.08780	65.7
414.09253	5.4
423.07181	9.9
431.09702	10.4
463.06717	8.3
468.06790	8.7
469.07632	8.4
481.07935	16.0
492.05627	13.8
563.14349	4.4
571.08990	5.9
589.11707	10.2
590.12299	3.2
607.11462	10.1
607.26459	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	607.11
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88477	1.5
57.00064	1.7
57.03334	8.5
59.01254	3.5
61.45243	1.6
69.03342	2.6
69.50893	1.5
69.51191	15.4
71.01249	2.2
71.44281	1.7
77.63625	1.7
82.06429	1.6
83.01255	3.6
93.03352	3.5
95.01256	4.5
95.60958	1.5
97.02816	3.5
109.02831	18.9
111.03368	1.6
111.04381	1.8
121.02842	5.5
123.00771	7.1
124.01588	4.0
125.02338	89.9
133.02841	2.8
135.00801	2.3
135.04405	2.7
137.02347	33.3
138.03079	3.7
139.03902	11.9
145.02795	2.3
147.00797	16.5
147.04387	1.8
148.01642	2.1
149.02371	9.0
149.04523	2.8
151.00261	3.6
151.03905	3.5
154.38484	1.7
159.04445	1.8
161.02379	3.4
163.00275	34.5
163.03934	2.0
164.01094	10.1
165.01833	22.9
166.02583	3.7
167.03438	16.0
168.00516	1.8
169.01308	21.7
170.01952	1.8
173.02240	2.1
175.00293	36.7
175.03922	5.2
176.01105	8.0
177.01857	54.5
179.03406	8.9
187.03891	5.1
189.01855	3.5
190.02655	4.4
191.03445	19.5
199.03961	3.8
201.02022	2.1
201.05505	2.1
203.03458	4.8
204.00549	2.0
205.01349	3.1
211.03966	3.5
213.05507	4.0
214.02731	2.1
215.03526	9.8
217.01395	4.4
217.05011	2.6
218.09212	1.7
219.02950	4.1
219.06538	4.4
221.04462	3.2
227.03494	5.1
228.04242	2.0
229.05006	4.4
231.03073	2.3
233.04579	9.4
239.03638	2.5
241.05043	2.6
243.02968	12.0
255.02988	14.7
255.10249	4.0
257.04526	8.8
258.05270	2.0
259.02106	2.1
259.06143	2.8
261.04019	2.8
267.02884	2.3
269.04547	3.6
272.02942	2.2
273.04050	5.1
279.03223	1.8
283.02454	10.8
284.03085	1.8
285.04083	6.5
289.03531	2.9
295.02469	2.4
297.04074	4.1
299.05576	3.1
300.02759	6.4
301.03519	100.0
302.03961	8.3
303.05121	6.9
305.06653	47.4
306.07056	4.2
313.03543	6.3
314.03735	2.1
319.04568	2.2
323.05545	6.4
341.02997	2.6
342.03418	2.8
343.04599	15.5
403.04520	4.9
423.07263	14.0
425.08145	1.9
427.06689	5.3
439.06479	19.0
440.06766	2.9
451.06873	4.1
463.06830	11.8
464.07083	2.5
468.06876	17.1
469.07672	20.6
481.07736	38.3
481.13568	1.4
482.08209	5.0
517.19232	2.1
571.08746	14.3
572.09003	2.3
589.09778	3.7
607.10773	17.8
608.11127	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	606.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65369	5.2
59.01245	18.2
63.78204	5.7
71.01254	9.7
71.59897	10.4
73.02811	14.7
74.58266	5.2
101.02323	9.2
109.02856	25.0
113.02369	9.1
119.01275	7.6
121.02868	14.5
121.06841	4.9
125.02303	12.4
133.02872	7.4
134.02390	11.6
135.00722	5.7
135.04381	7.0
137.02347	17.3
141.11255	5.0
147.00749	15.9
148.01611	24.9
149.02344	15.0
151.00294	11.3
158.02376	5.8
161.02339	5.9
162.01852	14.7
163.00250	20.8
163.02646	7.0
163.03958	6.1
164.03427	16.9
165.01851	5.5
175.00322	9.6
177.01859	100.0
186.01859	16.2
187.02512	5.2
190.01424	12.2
191.01994	8.9
193.59639	6.7
201.05460	5.1
202.99771	19.5
204.02968	84.3
208.02603	9.2
227.03502	7.0
230.00925	46.2
255.02988	6.4
271.02402	14.8
286.03558	9.0
294.04041	8.5
299.02130	12.6
313.03610	11.0
319.12915	6.7
320.46344	6.1
322.03589	11.8
340.04459	38.6
357.04865	26.1
358.05615	18.4
384.09253	6.6
385.07870	5.9
397.07602	8.2
426.10413	90.4
427.10681	17.7
452.08371	81.4
453.08752	11.2
506.49124	5.7
521.09442	6.8
544.10724	17.1
562.12000	57.5
563.12372	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	607.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25118	0.1
57.03329	0.3
59.01254	1.6
67.20726	0.1
71.01252	1.0
71.60009	0.2
72.99180	0.2
73.02825	0.2
75.00735	0.5
78.95778	0.3
79.95618	2.4
83.01268	0.3
85.02826	0.9
87.00755	0.3
89.02330	0.5
93.03291	0.2
95.01218	0.2
96.95892	100.0
97.95856	0.4
99.00755	0.2
101.02328	0.5
108.02113	0.1
109.43778	0.2
111.00780	0.1
113.02353	0.8
115.00368	0.2
119.04904	0.3
121.02849	0.4
124.01553	0.1
125.02351	1.4
135.04364	0.2
138.70192	0.1
149.02357	1.2
151.07536	0.5
163.03905	0.2
164.04727	0.9
165.05453	0.3
167.50925	0.1
169.01353	0.7
175.03899	0.2
177.02019	0.1
177.67821	0.1
179.03397	0.1
179.07068	0.2
187.03825	0.2
190.02718	0.1
195.06535	1.5
197.43774	0.1
205.04990	0.2
209.11842	0.3
211.02357	0.2
223.06104	1.7
225.07675	0.2
300.02692	0.1
313.05627	0.4
378.36548	0.1
409.03369	0.1
431.08560	0.3
503.32019	0.8
509.12997	4.1
510.13208	0.4
521.33295	0.2
547.07678	0.4
607.09821	0.2
607.29156	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.7
59.01245	0.7
69.41182	0.9
69.41587	4.3
93.03352	0.7
93.06957	0.7
95.35034	0.5
97.06471	0.7
121.10120	10.3
123.07936	0.5
125.09634	4.4
139.11183	0.6
147.08141	1.3
153.61987	0.5
171.10202	0.6
185.11769	7.2
197.11758	1.5
207.10010	4.0
209.07933	1.1
209.11867	0.5
211.13295	1.2
211.67947	0.5
217.15874	0.8
223.13403	0.8
227.17964	1.0
243.17531	0.8
245.19064	7.6
247.13179	0.8
255.47067	0.6
291.19678	27.6
292.19962	2.2
295.16754	0.8
311.16229	1.3
313.17865	100.0
314.18210	7.5
333.01556	0.6
414.27972	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.60007	7.9
61.98703	19.3
64.15919	7.5
64.16364	8.3
64.39693	9.8
70.34695	43.2
71.00912	10.9
71.01247	57.9
78.95779	39.6
85.02831	36.1
87.00751	11.0
89.02319	42.5
96.95895	14.7
98.19866	12.8
101.02329	26.5
109.06470	13.6
111.08084	13.6
113.02347	16.3
119.03397	14.2
121.65170	8.7
125.02328	36.1
151.07590	28.1
152.64592	8.7
152.99400	13.2
168.00519	10.4
169.01352	14.5
193.04967	13.9
195.06573	69.9
197.11789	40.8
201.11177	12.3
209.11661	11.6
211.13274	16.0
219.06444	19.5
253.09323	35.2
291.19644	13.1
309.20660	55.8
331.36386	10.9
409.01489	10.5
507.11899	12.6
508.12143	74.6
605.18512	20.5
605.27307	11.4
606.19202	13.3
606.39258	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	605.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43230	2.6
55.01757	4.6
57.03320	9.1
57.54137	2.8
59.00951	6.1
59.01251	100.0
61.76894	2.7
68.75613	2.6
69.03319	2.6
69.32205	8.1
69.32618	22.0
71.01252	37.1
72.99159	3.3
73.02818	8.0
75.00751	5.8
83.01266	7.6
83.02380	5.1
85.02821	25.1
87.00770	8.4
89.02335	13.4
93.13963	2.8
95.01267	4.9
99.00759	5.9
101.02332	17.3
109.02824	3.8
113.02348	28.4
121.02847	5.6
122.22126	2.6
123.00732	3.9
125.02357	14.5
126.41782	2.7
131.03404	3.1
135.04439	2.7
137.02397	3.3
138.03180	7.0
148.05118	3.3
149.02332	6.6
153.05487	4.0
159.02905	3.0
161.04466	7.1
165.01816	3.1
169.01344	10.6
175.02477	4.2
179.07043	2.9
222.56409	2.5
264.94110	3.1
288.23798	3.6
303.08743	3.4
319.13019	7.5
344.18591	4.4
357.25848	2.9
362.19479	3.3
400.00916	2.7
483.29559	3.7
501.30728	81.1
502.31042	8.0
519.31689	19.3
520.31689	4.5
605.26611	5.6
606.26978	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	605.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84480	3.4
57.03325	16.5
59.01250	100.0
60.38019	4.0
61.98685	4.0
65.31376	3.6
71.01255	59.1
72.99167	9.8
73.02829	11.3
75.00744	19.9
83.01273	6.3
85.02827	38.0
87.00774	9.3
88.03947	5.4
89.02327	20.6
93.03355	6.6
95.01257	10.4
96.95868	6.0
97.06489	3.5
99.00762	8.9
101.02337	22.7
105.64851	3.7
107.04887	4.0
109.02800	4.8
110.34484	4.5
113.02338	36.7
118.64129	3.8
119.03369	6.9
119.04910	5.0
121.02880	11.5
123.00752	6.5
123.04381	4.5
125.02324	35.2
126.02644	4.5
134.03667	4.1
135.04446	10.1
137.02377	12.2
149.02321	4.7
151.03908	7.7
161.02332	5.0
161.04482	8.1
163.03949	4.7
165.01778	6.3
169.01392	14.2
177.01859	4.9
179.03340	4.9
205.01483	4.9
249.06378	5.2
253.09312	4.0
285.03986	3.9
289.07193	7.4
301.11777	5.7
309.20670	4.2
311.05087	3.9
319.12921	11.0
327.21619	7.1
357.26782	5.0
501.23746	7.3
501.30734	69.8
502.31155	9.2
519.31842	20.5
520.31830	5.0
605.27625	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	605.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09057	0.3
57.03323	0.9
59.01237	0.9
69.03337	0.4
69.87251	1.9
78.95774	1.4
81.03335	4.9
83.01250	2.6
85.32814	0.3
87.28772	0.4
93.03333	0.4
95.04910	0.8
96.95943	0.4
97.02851	0.3
109.02801	0.5
111.72496	0.3
113.07426	0.4
114.29491	0.3
119.87231	0.3
123.04410	32.5
123.14791	0.3
124.04762	1.1
125.02325	4.7
137.02347	0.5
139.03949	0.5
140.86169	0.3
149.02333	1.1
151.00281	1.1
151.03917	0.7
152.99457	0.4
163.03888	0.8
166.02602	0.4
167.03413	100.0
168.03751	4.3
173.02379	0.4
175.00273	1.2
179.03464	0.5
181.04933	2.1
191.03432	18.6
191.30995	0.3
192.03688	1.0
207.61479	0.4
209.04459	5.8
210.04956	0.4
221.04556	0.8
227.62959	0.4
266.12250	0.4
485.41577	0.3
526.26251	0.3
605.29370	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
61.98686	8.8
69.02714	7.7
69.32865	15.8
69.33279	59.6
71.01247	52.9
72.99183	17.3
75.00759	8.4
78.95776	39.9
80.51437	7.6
85.02827	24.8
87.00760	10.4
89.02314	28.8
96.95919	10.5
101.02338	30.4
111.00715	7.9
113.02299	14.8
117.96995	8.1
123.00675	8.9
125.02344	28.2
137.02415	11.7
149.02342	8.2
151.07553	14.9
152.99457	9.0
161.04547	11.4
169.01317	16.2
169.12257	8.7
176.96246	8.3
193.04909	9.3
195.06560	29.2
197.11815	35.9
207.10158	11.5
253.09236	25.6
259.93295	7.4
274.96701	8.4
309.20731	42.1
426.32077	16.5
439.59015	8.7
508.12308	58.7
509.12448	9.2
606.38312	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	605.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73722	0.9
68.10772	1.0
90.99629	0.9
95.61781	1.0
122.52531	0.9
302.51343	1.2
420.12878	1.0
430.17917	1.1
457.20630	1.4
459.18262	3.4
471.18341	1.3
473.19922	5.1
475.21533	1.1
485.23901	1.5
486.20535	3.9
499.17352	2.3
501.22543	3.4
502.20563	1.3
511.21313	3.2
513.19214	3.6
514.20105	9.2
518.19379	3.0
529.22430	100.0
530.22827	19.6
533.21600	2.7
605.22998	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31112	0.3
62.60474	0.4
98.20632	0.7
99.72935	0.4
106.06507	0.4
113.95458	0.4
278.67770	0.4
394.11377	0.4
415.15329	0.6
416.16534	0.5
429.16974	1.1
430.18137	1.1
443.19055	0.8
455.18927	0.5
457.20792	2.1
458.20963	0.8
459.17844	3.2
470.20990	1.1
471.18219	1.3
472.18881	1.1
473.19708	5.2
474.20239	0.7
485.18539	2.1
485.24353	1.0
486.20862	4.6
487.21432	0.9
496.18954	1.2
497.19431	0.4
499.17630	2.3
500.17789	0.7
501.23849	3.0
502.20288	0.8
511.21359	3.2
512.21942	0.7
513.19293	2.5
514.20135	7.6
515.20123	0.9
517.18530	0.9
518.19702	1.1
527.20709	0.5
528.21625	0.7
529.22443	100.0
530.22797	19.3
532.21283	1.7
533.21515	2.3
561.25232	0.7
573.21423	1.0
605.24445	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	100.0
58.03653	1.2
58.97512	0.6
59.01260	4.9
65.27111	0.7
71.01275	1.6
71.57861	0.6
71.58355	1.2
72.31534	0.7
73.88464	0.6
81.03346	3.5
83.01288	1.3
85.02808	0.8
99.04395	31.4
99.34118	0.7
101.02322	23.0
113.02364	0.9
125.02335	5.4
128.92726	0.7
144.06569	1.4
149.20570	0.7
151.04002	0.9
169.01344	1.1
177.05573	0.7
184.88251	0.8
203.92572	0.9
227.07732	0.6
237.42651	0.6
255.03081	1.3
267.03070	1.9
283.02603	3.0
283.06244	3.9
285.07938	0.9
294.05341	0.9
296.06927	1.1
300.10013	1.0
308.07159	1.2
309.07751	1.5
311.05762	8.3
311.09375	1.9
312.06442	1.1
323.09357	2.4
324.10083	1.9
326.07938	15.0
327.08704	2.4
327.12408	1.1
338.11743	1.4
339.08801	2.1
339.12604	2.7
341.10284	25.3
342.10846	4.2
354.11139	0.9
355.11890	1.5
356.12637	17.0
356.85220	0.8
357.13321	8.0
369.13379	7.7
431.17120	1.1
443.17361	1.0
455.17194	2.1
473.18158	19.3
474.18784	2.7
495.20557	2.6
513.21271	29.4
514.21771	4.8
522.27460	0.8
543.22516	1.7
596.60297	0.9
605.23340	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	605.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	100.0
58.03656	1.7
59.01247	10.7
61.98703	2.0
71.01250	2.8
71.15976	2.3
71.16325	2.1
78.95747	1.6
81.03338	6.5
85.02822	2.4
96.96873	1.2
99.00737	1.4
99.04395	29.0
100.04720	1.4
101.02325	24.1
121.02850	7.4
125.02342	6.8
136.01540	5.7
137.02344	2.6
151.00285	3.9
151.03914	9.3
161.02383	1.1
166.02611	19.8
167.03421	1.8
181.04964	25.0
187.17749	1.2
193.04993	1.5
205.08647	1.7
254.05750	2.5
269.07999	1.5
282.05362	1.8
283.05606	3.1
297.07700	3.6
298.08005	3.6
299.08112	3.7
328.13135	1.3
387.14450	17.0
461.18088	8.6
503.19373	7.7
543.22418	15.5
544.22607	2.1
561.32550	2.2
598.55438	1.7
605.22656	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	41.7
59.45377	10.3
63.20456	9.7
69.70605	64.3
73.02813	15.0
75.37263	13.0
78.95767	13.6
83.01259	50.3
85.11930	10.1
93.57902	13.7
98.19805	14.7
106.13419	12.1
122.03636	14.8
137.02338	30.9
205.04919	10.0
209.08183	11.1
289.07321	13.0
357.13531	100.0
506.64865	16.1
543.49139	13.3
625.79022	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	605.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25518	11.8
59.01246	72.2
69.43867	100.0
71.01250	45.9
72.99170	11.8
73.02830	28.8
83.01219	12.4
85.02835	12.1
85.94788	12.5
93.68262	11.4
95.35935	11.6
96.95871	15.0
98.20541	26.3
101.02317	40.9
108.63030	12.2
113.02280	12.1
119.04900	34.1
125.02312	40.1
136.01537	53.7
137.02332	18.0
151.03891	62.0
151.12619	11.8
163.03925	16.3
165.05450	16.9
167.03418	14.2
169.01459	17.7
175.03920	16.0
225.23943	13.1
230.22462	11.6
269.04507	14.1
278.66782	13.1
297.27930	16.1
317.03098	88.2
339.12375	13.2
340.49438	12.3
357.13480	62.9
561.15802	16.7
576.13330	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	605.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33931	7.7
59.01223	9.3
65.80222	8.2
69.26671	95.5
82.26711	8.1
91.76070	9.9
98.20531	22.8
100.67466	8.9
125.02344	9.7
139.92593	8.1
164.39372	8.8
297.07526	16.7
309.07565	27.2
312.10025	17.0
324.10043	12.6
327.12363	100.0
339.12326	63.7
485.18298	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.7
57.03329	0.9
58.00460	2.8
59.01249	46.1
60.38361	0.7
68.99692	0.7
69.03349	0.7
71.01254	46.6
71.13642	1.1
72.01592	0.6
72.99185	3.1
73.02803	2.2
75.07182	0.6
78.95786	6.0
83.01263	5.1
85.02821	7.7
86.87740	0.6
87.00749	14.5
89.02316	50.2
95.01246	2.6
97.02829	0.9
99.00747	1.5
101.02316	23.7
110.98344	0.9
111.00776	0.9
113.02332	22.8
117.01806	0.6
119.03387	15.8
125.02303	1.3
131.03392	2.7
141.01797	1.4
143.03387	6.8
149.04475	1.7
152.99492	2.9
159.02907	0.7
161.04449	8.9
167.01131	0.9
171.10201	2.0
178.94170	0.8
179.05536	16.3
212.80034	0.7
217.17671	0.7
279.23282	100.0
280.23663	7.3
293.24890	5.7
295.22571	1.0
303.23111	0.9
309.32236	0.7
321.24484	3.1
323.05939	0.9
323.09747	11.8
341.10883	34.0
342.11221	1.8
395.64667	0.6
431.21948	0.8
435.01315	0.8
543.20105	1.7
603.33179	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	604.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99857	1.6
55.01733	2.0
57.03323	3.8
59.01227	3.1
69.03321	6.2
70.02853	3.7
71.01250	7.7
71.56313	2.8
71.56678	2.9
72.99157	2.4
78.95772	4.8
78.96209	2.0
85.02824	51.3
87.04403	6.9
96.00776	2.3
96.04430	100.0
96.96855	5.5
97.02833	8.4
98.02339	2.3
99.00727	5.8
111.00729	1.7
112.03933	3.5
115.03882	4.6
126.05466	1.8
128.03419	8.3
129.01802	9.9
140.03436	2.0
141.01875	4.3
142.01372	18.4
158.04491	36.4
172.02386	2.5
200.05579	3.4
202.03461	19.0
218.06763	2.1
219.05000	5.1
262.05688	40.1
278.12250	2.0
604.17395	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	605.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33270	0.4
57.03345	0.5
59.01246	1.0
68.99679	0.9
69.03316	0.8
69.39467	3.7
71.01253	2.4
79.01740	0.5
83.01270	0.5
85.02814	0.9
89.02292	0.4
95.01274	2.2
97.02852	0.4
98.20522	0.6
99.00731	0.5
101.02312	1.8
107.01274	4.5
111.00763	2.8
113.02311	1.4
123.00768	12.3
124.01554	15.5
125.02341	25.9
126.02669	1.3
127.00233	0.6
136.98695	1.5
137.02333	1.2
138.03136	1.2
139.00258	3.9
139.03914	5.6
140.01059	2.9
141.01797	1.5
149.02295	1.0
151.00275	7.8
151.03873	0.7
153.01791	1.0
154.98286	0.4
160.13857	0.5
161.02263	0.6
167.03328	0.8
168.00552	6.9
169.01340	36.3
170.01680	1.3
177.01955	0.6
178.99763	1.2
179.03395	0.9
183.02919	6.2
211.02371	1.1
215.03397	0.4
216.00459	0.6
217.01387	0.9
223.02542	0.6
224.60222	0.4
225.03958	1.2
244.00093	0.8
245.00900	1.4
273.00372	7.9
285.06097	1.4
297.06131	1.7
301.03549	0.5
313.05612	8.1
314.05835	0.6
327.07138	3.0
453.10358	100.0
454.10690	10.1
469.80923	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00982	9.5
59.01254	82.6
61.98698	29.6
71.01245	27.8
71.04863	7.3
71.41104	6.8
71.58760	8.9
71.59137	8.1
78.93641	7.2
78.95766	10.4
85.02834	15.4
89.02311	23.4
96.95887	42.3
101.02312	20.6
113.02291	10.3
125.02335	19.1
128.47751	8.2
137.02217	9.4
139.44673	7.5
158.87102	7.6
163.11201	13.2
169.01305	25.7
169.12236	53.8
171.10201	54.9
181.80289	7.0
189.26884	7.1
191.14394	9.0
199.07434	8.7
209.11812	18.0
211.13272	11.5
213.11206	10.1
225.11255	15.2
245.19110	12.2
253.09239	39.2
289.18069	100.0
290.18457	8.0
307.19141	71.7
317.51804	6.6
438.96832	7.2
449.08508	10.7
493.17264	8.3
603.30341	56.3
604.30853	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	603.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77266	2.5
57.49348	2.3
58.56183	2.5
59.01245	41.9
61.98699	4.9
62.55267	2.7
68.95188	2.9
69.88065	14.6
71.01257	14.2
77.41998	2.9
78.91759	4.4
85.02845	6.5
89.02328	8.1
96.95906	5.5
97.06455	6.6
101.02341	9.3
113.02380	4.7
119.03281	3.4
125.02374	4.1
125.09616	7.0
141.12733	3.5
161.04527	3.8
163.11205	7.9
171.10191	8.9
185.11771	8.2
191.14381	8.4
196.11067	2.8
207.10173	3.0
209.11749	23.5
210.12297	3.1
211.13326	5.1
212.13716	3.5
237.11224	3.6
245.19061	16.0
253.09251	37.7
289.18082	100.0
290.18503	7.3
307.19147	91.5
308.19479	7.3
344.03735	3.2
603.30463	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	603.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34520	2.1
57.03338	2.8
58.00492	1.8
59.01252	52.4
61.98695	2.2
65.97103	2.2
69.03339	2.6
69.47620	9.0
69.48048	9.5
71.01259	14.1
74.40174	2.0
75.18974	1.9
81.03330	3.5
81.64436	2.0
82.97194	2.0
83.14335	2.1
85.02842	4.7
87.00753	4.1
88.56592	1.9
89.02337	9.8
96.95908	12.2
97.06466	5.2
98.19796	2.9
101.02330	10.1
111.64254	2.2
113.02323	5.9
113.60648	2.0
122.40614	2.0
123.08131	2.3
125.09612	5.7
134.15770	2.5
137.09630	5.1
161.04434	5.0
161.22322	2.3
163.11203	8.4
165.01863	2.5
165.09131	2.1
165.12703	2.3
171.10162	3.6
179.05508	2.3
185.11748	9.0
191.10760	2.2
191.14380	9.0
207.10168	5.1
209.11760	39.8
211.13345	2.5
225.11180	4.7
237.11208	3.3
245.19102	20.2
253.09314	38.0
263.20187	3.5
289.18088	100.0
290.18503	8.5
307.19165	84.8
308.19522	6.3
328.06055	2.4
431.76865	2.7
448.86920	2.8
543.28094	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	603.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	1.9
57.03315	2.9
59.01252	84.3
64.35966	1.5
66.22795	1.3
71.01256	15.3
71.49387	1.7
71.49722	1.9
72.20564	1.3
73.02836	8.3
78.95779	2.2
83.01254	4.9
85.02816	13.6
87.00731	1.8
89.02296	1.3
95.01250	2.3
96.95897	2.5
98.21114	1.3
99.00744	2.3
101.02325	12.4
111.00732	2.7
113.02320	8.8
116.92799	1.6
125.02359	2.6
139.11188	2.4
141.12723	2.8
151.03874	1.3
152.99715	1.2
159.02916	1.3
161.04410	2.1
167.03491	1.4
171.13773	2.8
311.25885	5.4
441.18927	2.2
455.30002	5.8
473.31241	11.8
517.30255	2.4
559.31226	100.0
560.31464	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	603.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	3.2
59.01255	87.8
61.18120	3.3
69.31582	24.4
69.32004	8.2
70.09058	3.3
71.01258	27.3
71.04894	3.9
73.02824	6.1
78.95782	4.3
79.35674	3.0
83.01242	5.5
85.02819	12.3
87.91325	3.3
89.02345	5.7
96.95895	7.6
99.00786	3.1
101.02347	15.1
102.40189	3.4
113.02327	8.5
116.06868	3.3
125.02345	4.3
152.01083	5.2
152.99518	3.1
178.99791	7.0
197.11737	3.0
247.73814	3.4
311.26050	5.1
455.30219	4.3
473.31360	5.8
513.44910	3.3
559.31256	100.0
560.31732	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	603.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22520	1.8
59.01253	3.5
60.99181	3.0
61.34478	1.6
69.29606	3.0
69.30011	15.1
75.99569	1.7
78.95776	14.4
85.22068	1.6
87.00758	5.4
88.00279	9.9
88.98678	21.9
89.02320	100.0
98.20558	3.7
101.79074	1.7
152.99455	8.3
171.10236	9.7
209.08197	1.8
212.36162	1.7
255.23082	1.8
273.40637	1.7
277.21716	2.6
295.22723	4.4
307.09500	3.6
324.97842	2.4
431.22498	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	603.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61940	1.8
59.01255	3.6
60.99191	4.5
61.15215	1.8
65.36263	1.7
70.64533	4.3
72.14589	1.9
72.26508	1.7
78.95782	30.8
87.00739	4.1
88.00276	11.8
88.98678	28.5
89.02319	100.0
96.95899	2.8
98.19028	1.9
117.70519	2.0
129.86343	1.9
152.99475	21.5
171.10181	27.7
195.13853	2.2
230.78542	2.4
277.21661	3.5
295.22714	14.3
307.09491	7.0
324.97659	3.0
431.22269	9.6
484.51468	2.0
579.65161	2.2
603.32922	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	603.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	70.0
67.02793	1.5
69.03314	1.5
71.01256	5.3
72.99191	3.9
73.02825	2.5
75.00752	2.9
85.02811	7.4
87.00762	2.0
88.90990	1.4
89.02308	3.3
95.01310	1.5
98.20178	11.6
98.20729	1.2
99.08039	11.5
101.02358	1.8
103.00275	1.8
113.02329	5.7
119.04935	21.1
125.02327	4.7
125.05894	1.7
127.07536	18.6
135.04424	2.2
137.02318	3.3
141.91708	1.3
145.02843	5.0
145.08611	100.0
146.08978	3.6
163.03925	13.7
165.05426	1.8
165.09135	8.4
169.01410	7.3
177.01817	1.9
187.09700	48.2
187.86449	1.5
188.10020	3.1
204.06151	1.4
209.03023	2.1
209.08144	37.6
210.08650	2.4
232.08440	1.4
283.49939	1.4
334.12109	1.5
341.06723	1.4
344.24905	1.4
371.13470	2.6
426.93005	1.9
439.12283	1.8
443.79459	1.5
457.13443	13.9
585.23792	2.3
603.25122	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	603.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.6
57.03308	3.2
59.01251	90.2
71.01252	26.8
73.02806	10.0
74.93208	1.8
83.01260	3.7
85.02821	12.5
89.02312	5.6
95.01244	2.9
97.47523	1.6
98.19747	3.5
99.00760	2.2
101.02316	13.7
111.00768	2.4
113.02335	10.7
119.03315	2.8
121.42443	1.8
125.02337	2.1
134.93922	2.0
161.04463	2.9
171.13644	2.7
203.31184	1.7
217.05428	1.6
222.39671	1.7
229.72522	2.7
411.06290	1.9
455.29922	4.6
473.31137	8.4
517.30133	3.1
559.31207	100.0
560.31628	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	603.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	5.4
57.14861	1.7
59.01253	91.0
60.01582	2.0
68.99694	2.2
69.51820	11.6
70.82364	1.5
71.01254	45.8
72.99182	6.8
73.02808	6.8
75.00748	21.8
83.01262	4.1
83.04900	1.9
85.02820	41.9
87.00746	12.4
88.03941	1.9
89.02312	14.4
93.03335	2.9
95.01266	10.4
98.19761	2.2
99.00755	12.1
101.02317	8.4
103.00262	6.8
109.02840	3.4
113.02332	46.1
114.02658	2.1
115.00228	3.4
117.01830	2.5
119.03399	5.4
125.02357	9.3
129.01817	2.9
131.03381	2.2
135.04410	2.4
137.02345	7.2
142.85283	1.6
147.27148	1.9
151.00270	3.0
153.01709	1.4
153.48335	1.6
161.02342	2.4
161.04443	3.0
161.13251	5.5
163.00334	2.0
163.03938	2.0
169.01337	6.3
174.86052	2.0
175.02385	4.6
175.03831	2.9
177.01958	2.3
178.99664	2.1
179.05571	2.7
191.01834	2.2
193.03459	2.3
205.12288	13.4
207.05013	2.9
209.08142	1.8
249.06129	28.8
255.02937	2.1
267.07208	100.0
268.07416	4.8
271.02328	6.2
271.06137	1.7
290.20959	2.3
300.02603	8.0
301.03552	8.7
455.19244	61.2
456.19437	6.2
499.18246	23.4
517.19110	5.0
543.28375	2.6
559.20313	31.1
560.20636	4.7
561.28778	2.6
603.17371	6.2
603.24951	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	603.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	5.0
58.00455	2.2
59.01254	69.8
61.98708	2.2
69.33604	11.9
69.34031	6.2
71.01253	33.6
72.99171	9.4
73.02818	2.9
75.00746	21.7
77.43362	1.6
83.01276	2.9
85.02824	33.9
87.00757	12.6
89.02312	12.7
93.03336	4.5
95.01266	9.5
96.95898	2.8
99.00742	13.6
101.02331	3.8
103.00250	5.2
107.79011	1.8
109.02847	4.8
113.02332	41.2
115.00278	2.9
117.01831	4.4
119.04929	2.7
121.02840	2.0
122.03628	2.1
125.02332	11.3
129.01804	2.5
135.04416	2.8
137.02359	8.9
139.00232	3.2
140.89174	1.8
144.48253	2.0
149.02342	4.4
150.03122	12.0
151.00313	2.7
153.01906	2.5
161.02448	2.2
161.13310	5.0
165.01816	4.9
165.04318	1.9
165.05489	12.7
166.02591	3.2
166.06134	3.2
169.01404	5.5
169.79573	1.6
175.02403	3.2
177.01843	3.0
179.03470	2.1
179.84776	1.9
180.04245	4.2
181.05022	2.1
187.11154	1.8
195.06599	8.4
198.32719	2.1
205.07169	2.7
205.12262	13.9
209.08138	2.1
225.07555	3.5
249.06152	24.8
267.07214	100.0
268.07626	6.2
289.07196	3.0
309.08228	3.8
347.11694	2.1
455.19199	43.3
456.19522	4.4
499.18326	15.0
511.71732	2.2
517.19263	4.7
559.20343	37.2
560.20813	5.1
603.27301	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	4.1
57.16580	0.9
59.01255	7.1
59.63807	1.1
63.94342	0.9
68.02040	1.0
69.03304	1.7
70.14517	0.9
71.01254	55.1
71.21033	2.1
72.99168	3.8
73.02823	9.4
76.11028	1.0
82.58787	1.0
83.01260	5.7
85.02822	40.3
87.00743	10.7
89.02309	4.1
95.01280	7.5
97.02805	3.1
99.00756	4.0
100.01527	1.1
101.02326	11.1
111.00732	4.5
113.02328	53.0
114.02750	1.1
129.01833	3.4
129.36868	1.1
131.03391	10.7
139.00261	1.3
143.03401	1.2
161.73801	1.1
173.04478	17.7
189.03987	1.6
191.05531	2.8
201.03976	2.8
205.06999	2.6
215.05537	3.5
233.06607	3.0
245.06662	2.5
261.92270	1.1
263.07755	6.6
317.08719	2.7
329.08832	2.0
331.70621	1.0
335.92242	1.0
377.10849	3.4
471.13406	3.5
525.14386	1.8
543.15741	15.1
544.16058	1.3
571.14948	2.2
603.17786	100.0
604.18182	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	603.172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.8
59.01254	3.8
60.05224	0.5
61.88006	0.5
71.01253	2.0
72.99181	10.8
73.02824	0.8
75.00740	1.0
78.95764	0.5
85.02829	1.9
87.00757	0.7
89.02304	1.1
93.03334	1.1
93.23263	0.5
95.01250	0.8
96.95892	1.1
98.95465	0.8
99.00783	1.1
100.16929	0.5
101.02316	0.8
109.02824	1.0
113.02335	2.6
117.03357	7.3
119.04921	100.0
120.05233	3.7
123.04492	0.7
125.02319	4.0
126.90414	1.0
133.02873	1.1
145.02852	20.3
146.03223	0.8
161.02367	1.6
161.05998	0.8
162.03166	0.8
163.03925	64.3
164.04239	2.7
165.05507	0.6
169.01349	6.1
177.01852	2.8
189.01840	1.3
189.94940	0.5
195.06680	0.9
217.01381	1.6
229.77032	0.7
267.07202	0.8
276.90094	1.1
323.05560	1.2
331.86020	0.5
337.09338	0.6
341.06583	2.2
401.08679	0.5
426.93405	1.6
439.12439	6.7
440.12927	0.6
451.10336	2.4
455.18643	0.6
457.13525	53.8
458.13901	5.3
559.20276	0.7
603.17169	4.2
603.25793	1.0
604.17548	0.8
607.66046	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47218	0.7
56.32069	0.6
57.03321	31.6
57.80793	0.8
58.03646	1.3
59.01248	10.5
64.53476	0.7
66.05518	0.8
70.97587	1.3
70.97923	1.4
71.01253	4.7
73.02834	1.4
78.95779	1.3
81.03334	2.9
83.01260	0.9
85.02815	1.0
85.63423	0.9
89.02313	1.0
95.01221	0.9
96.95879	3.3
99.00747	0.9
99.04391	38.5
100.04765	0.9
101.02328	7.5
113.02332	1.8
125.02332	30.4
126.02627	1.2
137.02318	1.0
161.04443	1.6
173.91283	0.8
179.78094	1.0
195.04425	2.4
211.03952	2.1
223.04080	0.9
239.03435	22.0
240.03720	0.8
254.05800	13.7
267.02899	5.0
281.04599	2.0
282.05319	66.5
283.05640	5.3
296.06638	0.8
297.07663	100.0
298.07971	8.1
307.63950	0.9
309.03918	1.3
324.06458	1.2
339.08688	3.2
354.10992	2.3
471.16565	3.3
511.19537	2.8
561.29047	2.0
603.30096	1.1
611.21295	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92800	0.8
56.40210	0.6
57.03313	0.9
57.09414	0.6
59.01254	7.8
69.03326	1.4
70.71866	0.7
70.72214	2.3
71.01244	4.5
72.99184	1.4
73.02840	1.1
75.00742	2.8
81.03310	1.3
83.01258	1.1
83.02404	1.6
85.02820	4.5
87.00760	1.5
89.02300	1.3
93.03333	10.7
94.03634	1.7
94.24699	0.8
95.01283	1.3
95.04903	2.7
95.88227	0.7
97.02856	1.8
99.00729	0.9
101.02310	1.1
105.03345	4.7
107.01250	0.8
108.01982	0.7
109.02828	6.3
111.00742	1.2
111.04396	0.7
111.53276	0.8
113.02335	4.8
117.03331	1.3
119.04920	2.3
121.02878	1.0
123.00769	1.6
124.01545	1.1
125.02339	56.3
126.02666	1.2
129.01834	0.7
133.02869	3.5
137.02336	11.5
138.02670	4.0
139.02847	1.5
139.03934	2.8
145.02815	2.6
151.00270	1.6
151.03859	1.0
159.04465	0.9
161.02354	50.7
161.05907	1.6
162.02705	1.3
163.00267	0.8
163.03984	0.8
165.01880	0.7
166.02417	0.7
166.99820	0.9
167.03374	2.2
169.01338	100.0
170.01675	3.7
177.01860	22.6
179.03433	1.5
189.01871	10.0
189.03442	1.2
190.02466	0.8
191.03503	1.0
193.01408	4.4
199.07390	1.2
201.05461	0.8
203.03532	1.4
205.87883	0.7
216.00644	1.1
217.01358	17.0
218.01910	1.0
219.03004	1.0
224.47258	0.7
227.07159	2.1
229.05009	10.7
230.05339	0.7
231.02974	1.4
233.04553	1.2
241.04991	1.9
243.02957	1.5
243.06636	2.4
247.02585	0.7
249.06126	1.2
251.73154	0.8
255.02979	2.8
255.06229	0.8
256.03802	1.7
267.07217	3.0
269.04486	4.4
271.02585	4.8
271.06122	41.1
272.06461	3.1
283.06253	3.4
300.02728	7.4
301.03574	4.9
309.08328	1.3
311.05545	8.5
321.04044	4.3
321.07297	0.8
339.05048	2.6
357.06055	7.7
415.08179	2.5
433.09253	16.0
434.09406	1.5
451.10352	22.5
452.10654	3.5
455.19351	1.6
463.08627	0.8
477.08148	3.4
499.17947	1.1
559.20557	2.8
603.17224	3.1
603.24847	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.0
57.03327	5.8
59.01254	32.2
61.98692	1.3
69.03338	0.9
71.00891	1.6
71.01256	21.8
71.59518	1.1
71.59885	1.2
72.99197	4.2
73.02813	3.2
75.00745	30.8
81.03327	0.9
83.01263	4.5
85.02828	30.9
86.03162	1.4
87.00763	6.7
89.02324	4.3
95.01264	4.1
96.95888	6.3
97.02829	1.1
99.00764	9.8
101.02322	6.9
108.02023	1.1
109.02825	1.2
112.01551	0.8
113.02337	27.6
115.00246	1.4
117.01821	0.9
121.02851	1.4
123.00767	2.4
124.01508	1.0
125.02336	2.9
137.02313	1.9
138.03127	2.9
139.03975	1.3
149.02361	4.8
151.07558	1.6
153.05489	2.8
157.01329	1.8
161.04411	2.2
161.97749	0.8
171.10197	23.7
172.10545	2.0
173.04449	1.0
175.02394	2.4
177.01764	1.5
183.13939	1.4
195.06586	8.6
196.06995	0.9
209.11783	2.1
210.12068	1.5
211.06097	4.0
211.13350	19.4
212.13583	1.0
227.03566	0.8
253.09303	2.1
267.03232	1.2
285.03964	1.2
303.08786	1.1
383.24567	1.4
404.64087	0.8
444.17426	1.0
497.27612	1.5
511.77768	0.9
601.28625	100.0
602.28790	12.9
618.92700	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.1
57.03325	2.3
58.00467	3.5
59.01255	59.9
60.84269	0.7
69.03329	1.2
71.01257	54.1
71.58869	1.1
72.99165	4.3
73.02827	3.4
78.95785	1.9
83.01258	7.0
85.02831	9.0
87.00757	19.3
89.02322	62.2
90.02686	1.0
95.01293	4.1
95.60949	0.7
97.02843	1.1
99.00758	2.1
101.02328	28.9
111.00751	1.3
113.02335	28.7
119.03394	22.0
119.29534	0.8
125.02374	2.1
129.01802	1.0
131.03404	3.1
137.22258	0.8
143.03423	8.8
149.04457	1.9
155.57005	0.7
159.02863	0.9
161.04462	7.6
171.10237	1.5
172.96521	0.8
179.05533	19.4
211.13290	1.0
259.20651	0.9
277.21735	100.0
278.22043	8.4
291.23282	8.6
301.21793	0.9
319.22769	3.2
323.09821	11.1
323.78140	0.9
340.87479	0.8
341.10904	38.9
342.11270	2.8
495.53098	0.8
507.73758	0.8
601.31421	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.1
57.03332	1.6
59.01255	15.6
64.44131	0.9
69.03333	1.8
69.39399	3.9
69.39823	5.2
71.01264	9.3
72.99177	1.4
73.02818	2.8
75.00751	1.6
81.03338	1.1
83.01251	1.8
85.02827	7.1
87.00729	1.1
87.04297	0.7
89.02322	3.6
89.03865	1.6
91.01775	1.5
95.01274	2.6
95.04871	1.1
97.02808	2.4
99.00738	1.0
101.02334	2.6
108.02044	1.2
109.02846	28.6
112.24564	0.9
113.02344	4.9
119.03392	1.6
119.04908	1.9
121.02839	1.8
121.30250	0.9
123.00771	3.1
123.04430	12.6
125.02342	58.9
126.02687	1.6
129.75798	0.8
130.15155	0.9
133.02858	10.8
135.04387	1.9
137.02391	2.0
145.02859	12.7
147.04414	3.3
149.02365	1.4
150.03117	1.6
151.03891	6.9
159.04460	1.6
161.02370	7.7
163.03909	2.7
165.01834	1.4
166.99776	2.8
167.03334	1.0
168.05800	1.1
169.01349	100.0
170.01672	3.9
176.01114	1.6
177.01862	87.7
178.02185	3.3
179.03398	1.0
187.03935	3.5
189.01869	54.6
190.02652	9.6
191.03424	11.0
193.01337	6.7
201.01880	6.8
203.03452	6.9
216.00558	6.2
217.01373	35.6
218.01868	3.2
219.02950	11.1
220.75761	1.0
231.02971	11.6
232.03514	1.0
245.04515	1.3
249.06140	1.4
253.05014	0.9
255.03041	5.6
271.05920	1.3
275.05798	1.2
281.04538	1.9
282.01797	1.7
285.03790	1.9
287.05661	2.6
289.07208	1.3
297.04007	2.5
297.07248	1.0
299.05569	3.2
308.03247	1.1
323.05606	46.4
324.05872	4.2
327.05038	1.5
338.05988	1.0
339.05057	1.0
341.06671	68.2
342.06964	6.6
353.10974	2.4
383.03595	0.9
397.57767	0.9
433.09351	10.9
434.09479	1.9
435.10727	1.7
437.02969	0.9
449.08536	1.2
451.10352	62.4
452.10526	8.8
493.07687	6.9
494.07587	1.4
559.21967	1.7
603.11334	22.4
603.22992	1.8
604.11719	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66434	2.0
57.03320	2.8
59.01250	20.2
61.98699	2.5
65.57368	1.8
69.03362	1.7
70.83131	5.5
71.01253	11.9
72.99191	2.6
75.00760	11.3
81.03352	2.3
83.01257	2.9
85.02837	12.3
87.00750	2.6
89.02319	2.2
95.01272	12.7
96.95899	25.6
99.00762	3.8
101.02340	3.4
109.02840	4.9
113.02335	8.2
121.02869	6.0
123.00771	84.6
124.01538	7.5
125.02362	6.9
135.41284	1.8
137.02364	5.7
138.03131	92.2
139.03889	7.7
148.01573	4.7
149.02338	5.2
151.07605	2.4
153.05486	64.1
161.02316	9.5
162.02843	1.6
164.01065	2.0
165.09178	3.9
171.10184	60.8
172.10602	2.4
183.13879	4.7
195.06621	4.6
197.05975	1.9
202.73111	2.0
209.08090	4.7
209.11769	3.6
210.08435	5.7
211.13358	51.9
212.13857	2.7
213.05859	2.1
224.04907	2.5
225.05659	2.3
227.03485	2.3
232.77715	1.8
233.08197	5.6
237.05632	3.9
239.03552	3.0
241.05104	2.7
243.03024	2.6
249.05429	2.5
251.03488	21.8
252.03963	1.9
253.05016	3.2
253.09245	3.6
255.02975	5.9
263.03348	1.9
265.05023	9.9
266.05814	24.1
267.03003	18.1
267.06137	3.3
268.03568	2.8
269.04587	5.2
279.02991	4.0
281.04593	5.6
282.05423	2.4
285.04028	4.4
293.04562	20.9
294.05331	96.1
295.02460	4.5
295.05856	10.7
297.07639	3.5
307.02563	7.2
308.03140	2.0
309.04138	2.2
310.04935	4.1
311.01968	9.4
322.04813	3.2
323.05817	2.9
325.07285	4.0
337.07172	5.3
371.05698	2.5
373.07068	2.8
399.05222	3.9
401.06769	2.0
417.06085	2.5
421.05591	5.4
429.09723	5.6
432.07968	2.4
447.10849	100.0
448.11166	16.4
461.12537	3.6
601.17029	22.3
601.28363	25.8
602.17944	3.4
602.28375	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	601.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03355	1.8
59.01252	11.2
61.98698	1.7
71.01270	4.0
71.60465	2.2
72.30013	1.3
75.00759	4.2
83.01229	1.8
85.02840	6.4
87.00787	2.1
89.02318	2.4
94.12635	1.4
95.01263	12.9
96.95904	7.4
101.02364	2.6
108.02099	1.6
109.02851	6.1
113.02342	4.7
121.02837	6.5
123.00777	91.0
123.04367	2.2
124.01617	8.1
125.02353	6.6
133.02875	3.0
137.02287	3.3
138.03130	100.0
139.03972	8.5
145.66109	1.5
148.01633	3.8
149.02362	2.7
152.01094	1.6
153.05492	65.6
154.05779	2.7
161.02367	21.8
164.01111	2.9
165.01851	2.4
165.09148	2.8
166.09497	2.0
167.03494	1.8
169.01404	1.5
171.10185	26.8
183.04425	2.0
185.02316	3.5
192.49500	1.3
195.04514	2.3
197.05991	3.5
207.04419	2.5
209.06360	1.8
209.08165	10.1
209.11812	2.3
210.08495	5.5
211.13347	21.4
213.05545	1.7
223.04189	1.9
224.04654	1.9
225.05466	2.4
227.03375	2.6
233.08128	1.8
237.05505	2.9
239.03510	3.6
241.05052	2.2
249.05585	2.0
251.03452	15.8
252.04143	3.2
253.04990	3.9
253.09302	1.9
255.02971	7.2
265.05051	20.3
266.05823	18.2
267.02985	5.7
267.06488	3.2
268.03622	1.8
269.04550	4.6
270.05334	5.0
271.05945	1.8
279.03046	1.9
280.03827	4.6
281.04510	5.4
282.05374	2.1
283.05957	2.3
285.04013	4.3
285.07413	2.5
292.03973	2.2
293.04556	72.6
294.05328	64.3
295.02753	2.4
295.05853	6.4
297.07697	2.2
299.02090	2.3
305.17676	2.0
307.02493	3.4
307.06116	1.8
308.03186	3.6
310.04800	3.1
315.08865	4.7
322.04999	2.0
323.05716	3.6
325.07230	3.1
337.07199	3.3
371.05487	2.9
372.06577	2.3
373.07117	2.0
400.05753	3.2
401.06561	1.7
409.09192	1.5
412.79175	1.8
415.08365	5.1
417.06219	5.5
429.09894	1.7
432.08594	4.3
447.10904	85.6
448.11185	14.4
461.12491	6.8
601.16992	28.2
601.28564	10.7
602.17200	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	601.1203
Annotation	(2S)-5,7,3',4'-Tetrahydroxyflavanone 7-(6-galloylglucoside)
Peak:m/z	Relative Intensity
57.03325	7.7
58.60772	1.0
59.01270	2.2
63.79330	1.1
65.00186	3.7
69.81883	2.7
69.82298	4.6
71.01244	3.2
81.03324	3.0
83.01250	5.3
85.02856	1.3
88.59584	1.0
93.03336	3.4
95.01276	1.7
97.02845	1.6
107.01270	9.4
109.02856	3.2
111.00777	1.8
123.00771	8.0
123.04401	2.0
124.01569	4.1
125.02340	100.0
126.02691	3.0
131.04857	1.4
133.02826	1.9
135.04449	1.2
137.02321	1.6
139.00258	3.4
140.01100	2.2
141.01833	2.1
149.02353	3.9
151.00273	16.8
151.04068	1.1
152.01068	4.8
153.01854	10.0
157.06540	1.4
158.03685	1.1
159.04434	1.3
163.00275	2.7
165.01851	1.8
168.00603	5.5
169.01334	57.0
170.01746	1.9
172.05267	1.5
173.05978	7.6
175.00279	1.1
175.03947	1.8
176.01045	5.1
177.01852	1.8
177.05507	4.8
178.99817	2.7
181.01353	1.4
201.05573	3.3
211.02432	8.9
213.05577	1.2
213.40254	1.3
215.07080	5.7
225.05591	1.7
241.05022	3.6
243.06599	4.2
259.06104	37.6
259.08795	2.2
260.06488	2.6
268.03879	5.3
269.04547	23.1
270.04865	2.5
271.04663	4.6
283.06061	4.6
287.05618	17.7
306.21155	1.2
311.05502	1.8
313.05646	42.4
314.05850	1.3
439.08682	12.5
466.07449	9.8
467.08032	2.4
470.50720	1.4
538.19556	1.1
573.12457	28.4
574.13049	4.0
583.10938	69.2
584.11230	9.7
601.12018	49.9
601.21747	2.9
602.12274	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	599.3201
Annotation	lysophosphatidylmyoinositol
Peak:m/z	Relative Intensity
57.90676	2.0
69.41316	16.4
78.95774	77.4
79.58142	1.8
96.96842	14.7
112.63521	1.9
152.99492	69.7
154.86580	2.1
171.10217	2.4
172.55859	2.2
241.01134	31.8
283.26431	72.3
284.26767	5.3
315.04971	11.4
419.25729	6.1
439.99927	2.0
599.31989	100.0
600.32257	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	599.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
70.00465	8.5
70.00871	7.3
78.95777	76.2
96.96851	13.4
97.89368	2.4
146.12555	3.0
152.99496	71.9
188.23860	3.3
241.01202	34.2
283.26385	70.5
284.26770	6.7
315.04846	13.3
419.25595	7.6
599.32031	100.0
600.32153	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	599.3438
Annotation	Nocardamine
Peak:m/z	Relative Intensity
55.01758	6.6
57.03321	5.6
58.00462	3.1
59.01249	65.6
69.03331	2.9
71.01251	100.0
71.13832	1.7
72.01588	1.2
72.99174	5.4
73.02816	38.8
73.12225	0.7
74.49476	0.6
75.00728	1.4
81.03336	1.6
83.01253	14.0
85.02819	32.1
85.99973	0.9
86.03149	0.8
87.00751	4.7
89.02315	66.5
95.01262	5.9
96.90032	0.7
97.02842	4.6
99.00755	35.5
99.04407	0.9
101.02320	67.0
102.02677	1.1
111.00777	3.3
113.02326	27.9
115.03895	2.9
119.03400	9.2
125.02322	9.2
129.01807	0.8
130.91486	0.6
131.03403	13.9
143.03358	4.8
146.57051	0.7
149.04451	36.9
159.02890	4.8
161.04451	18.6
179.05508	1.4
191.05542	13.2
203.08607	0.6
215.05501	0.8
221.06497	0.8
233.06659	7.5
238.02315	0.7
251.07678	1.5
275.07785	0.7
293.08777	3.6
305.24750	1.5
376.28247	0.8
467.30118	64.7
468.30518	7.8
530.84076	1.0
599.34357	77.1
600.34760	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1202
Annotation	(2S)-5,7,3',4'-Tetrahydroxyflavanone 7-(6-galloylglucoside)
Peak:m/z	Relative Intensity
51.60461	1.3
54.39727	1.1
57.03323	7.5
59.01257	12.4
61.98706	17.1
63.85065	1.2
65.00197	6.9
71.01257	10.1
73.02814	1.4
75.00741	2.2
78.95738	2.2
83.01260	4.3
83.59201	1.3
85.02839	7.2
87.00761	1.5
89.02332	3.1
93.03302	1.8
95.01250	1.5
96.95896	3.5
101.02306	4.5
107.01273	16.8
108.02074	1.2
109.02834	3.6
113.02323	6.7
120.02134	1.2
120.62989	1.1
121.02824	1.1
123.00787	6.8
123.04409	2.2
124.01575	1.4
125.02344	100.0
126.02619	3.5
132.75638	1.2
133.02824	3.9
134.03693	1.5
135.04427	32.4
137.02310	4.8
138.03091	1.4
139.00320	1.5
139.03870	2.1
140.01001	1.4
141.01859	1.3
145.02861	1.8
146.03622	5.7
149.00830	1.2
149.02307	5.6
150.03151	7.8
151.00288	44.1
161.02406	8.5
161.05936	2.8
164.04703	5.1
165.01840	5.6
165.05478	8.2
167.03395	2.3
168.00531	4.0
169.01355	70.6
170.01736	1.9
175.00272	1.9
175.03954	1.4
177.01852	2.3
178.51167	1.5
179.07040	9.3
180.04134	1.6
181.04991	2.1
195.06570	6.9
211.02451	8.9
229.81758	1.4
241.03476	3.3
267.07190	2.1
271.04535	5.2
285.04047	1.7
286.04639	1.4
287.05576	6.5
289.07349	1.6
305.99356	1.5
313.05640	56.4
314.05850	3.6
351.55136	1.4
373.12833	3.1
439.08829	63.8
440.09171	7.7
465.06488	5.4
471.26575	1.5
491.08020	4.0
513.26959	7.2
529.38794	1.3
557.16486	2.0
601.11981	75.0
601.21930	2.7
602.12268	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	599.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	2.9
57.03326	6.8
59.01255	38.3
61.98708	3.9
65.00206	2.1
65.94530	1.3
71.01260	37.4
72.99188	5.3
73.02824	9.1
75.00752	4.8
75.80565	1.4
76.10141	1.3
79.67179	1.8
81.03329	1.5
83.01278	6.3
83.04914	2.8
85.02827	48.3
87.00776	4.8
87.04395	100.0
88.04706	2.2
88.72485	1.3
89.00204	1.6
89.02335	11.1
93.03377	2.0
95.01285	2.5
96.95904	6.5
97.02859	3.5
98.20161	8.0
99.00755	4.4
101.02337	25.8
109.02858	5.9
111.00718	2.1
113.02331	17.0
113.08706	1.4
119.03403	3.8
120.82265	1.3
121.02861	4.2
123.00799	1.9
125.02340	12.8
129.01831	2.9
135.04443	2.5
136.01569	1.5
136.05148	1.7
136.98877	1.5
137.02353	2.5
143.03424	2.7
143.32167	1.5
147.02908	4.6
149.02357	3.4
150.03168	3.1
151.03938	1.6
159.02950	1.7
160.01479	1.7
161.02348	2.0
161.04446	12.9
165.01875	2.0
165.05473	3.0
169.01358	4.5
171.10210	12.6
175.03824	1.6
179.05559	2.9
191.01923	13.5
195.06630	3.3
209.02921	2.5
209.11783	12.7
232.82182	1.5
271.02420	1.7
273.04044	9.8
305.08884	2.1
307.17456	2.4
342.94406	1.4
377.21783	5.0
377.33035	1.6
386.21277	1.5
388.06433	1.6
408.04752	3.3
423.07251	30.5
424.07437	5.0
451.21857	22.2
539.27063	41.2
540.27570	6.3
541.36053	1.8
599.26428	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	599.251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28460	0.8
57.02880	0.8
59.01247	3.1
59.58941	1.0
71.01261	2.5
71.58531	1.4
78.95747	1.1
83.37733	0.9
96.95919	1.1
98.20139	1.1
109.02759	0.9
109.15090	0.8
113.02357	1.3
121.02838	3.4
125.02367	1.5
135.04393	1.0
136.05215	1.1
137.02321	2.3
137.58244	0.8
145.02826	1.8
147.04387	2.3
150.03070	1.7
151.03857	1.4
163.03845	4.4
165.01846	1.8
165.05351	1.1
166.02553	1.6
173.02303	1.7
174.03159	2.3
175.03912	16.4
176.04614	2.8
177.05464	3.2
179.03442	1.2
180.04179	10.7
181.04967	1.7
188.04707	3.1
189.05531	6.6
190.06291	21.8
191.07057	15.5
192.07454	1.0
193.05014	10.9
194.05771	7.6
203.07068	3.6
205.08641	17.9
206.08955	1.0
207.06561	13.5
208.07320	9.5
209.08020	2.1
223.09647	1.6
261.49826	0.9
261.71594	0.8
274.02509	1.0
314.37589	0.8
328.09213	0.9
328.13168	0.9
344.12695	3.5
345.13248	2.9
359.14984	100.0
360.15320	10.6
373.16660	1.9
375.14392	1.4
389.16068	15.6
390.16208	1.1
537.21259	2.7
569.24670	1.1
599.24780	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	599.271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36779	0.7
57.03343	1.1
59.01250	3.6
61.98695	1.6
71.01260	2.0
71.59219	1.1
81.03333	5.1
83.01260	1.2
85.06453	1.5
89.02331	0.8
93.03350	0.9
95.01260	1.3
96.95905	1.3
97.02789	0.8
99.18096	0.7
99.35079	0.6
101.02314	1.2
109.02867	3.7
109.06477	2.8
111.04409	4.5
113.02386	0.7
121.02852	3.0
123.00797	1.7
124.01614	0.8
125.02363	7.1
127.07615	0.8
135.00751	0.9
137.02310	1.5
138.03139	0.9
149.02338	2.4
150.03140	0.7
151.00220	0.9
151.07558	36.7
152.07916	1.4
161.02376	1.0
161.05981	0.8
163.00343	0.8
165.09087	0.7
169.01407	1.0
171.10208	3.8
174.31168	0.7
177.05437	0.9
195.06563	100.0
196.06912	4.9
207.06589	0.8
209.08064	1.9
209.11774	3.5
211.04056	0.8
219.06577	22.3
220.06912	1.3
227.03412	2.0
237.07634	6.5
239.03571	1.2
241.01401	0.9
241.05055	1.4
242.02129	1.4
243.02835	1.9
249.07698	1.3
255.02898	6.7
256.03662	3.2
257.04538	2.0
265.05042	0.8
267.02853	1.8
268.03757	1.2
269.04587	1.1
270.01666	1.7
270.05087	1.0
271.02570	2.1
271.06036	2.5
273.07565	1.1
283.02390	4.4
284.03082	2.0
285.03986	2.0
295.02457	1.2
296.03070	1.0
313.03467	5.3
314.04153	2.3
315.05017	0.9
325.07248	0.9
359.05682	1.0
387.05136	0.8
388.05661	1.9
403.07785	0.9
481.78351	0.7
489.15662	1.5
509.08807	1.2
511.06796	2.7
525.11884	0.9
526.09119	5.6
527.09326	1.5
541.11182	2.4
556.13806	5.3
557.14136	1.8
567.24292	10.2
568.24457	1.3
571.16174	14.0
572.16205	4.3
581.14728	1.7
584.13416	3.1
599.15540	30.2
600.15808	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	599.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54497	1.7
59.01229	4.3
65.03825	9.6
67.01727	6.1
70.36277	9.0
72.99135	3.3
87.81173	2.1
95.01207	2.4
105.73711	1.9
108.01994	5.3
109.02839	100.0
121.02851	50.7
123.00787	12.2
123.04343	2.6
124.01492	4.6
135.04356	2.9
136.01492	2.9
137.02269	2.6
138.03140	16.0
149.02284	2.1
150.03140	1.9
151.03729	2.6
153.05344	7.7
159.04230	2.9
161.02257	3.1
163.00301	2.0
171.10220	10.8
183.04265	4.2
195.04298	2.3
196.05087	2.2
199.03743	2.8
200.00923	2.0
201.05354	2.0
209.11586	7.6
211.03772	4.4
213.05342	2.6
225.05435	3.5
226.02419	3.0
227.03314	4.8
228.03847	2.1
237.05367	3.8
239.03479	11.8
240.04074	3.9
241.04825	5.1
251.03484	2.1
253.04788	6.2
254.01909	12.8
254.05148	3.0
255.02724	9.0
255.06355	7.6
256.03473	9.0
257.04541	10.6
263.03351	5.2
264.04065	2.7
265.04816	7.0
267.02966	26.4
267.05826	3.4
268.03391	8.0
269.04529	12.5
270.04999	8.0
271.05875	7.5
272.06607	8.2
277.04916	4.4
278.05356	2.3
279.06232	2.2
280.03662	2.4
281.04553	17.6
282.05295	13.8
283.05887	7.1
284.06616	5.4
285.03738	5.9
285.07196	5.3
286.08347	4.4
287.09286	22.6
288.09219	3.4
289.04666	2.7
290.05597	2.6
291.06354	4.2
293.04242	3.1
294.05154	2.7
295.05811	6.4
296.03635	2.2
296.06818	17.2
297.07632	35.6
298.07816	4.3
301.10614	4.7
305.04376	3.3
307.05872	3.3
308.06921	2.9
309.07248	2.7
311.09241	67.2
312.09479	3.1
313.10855	2.9
315.06342	3.5
327.06195	2.4
329.07626	2.3
331.09412	2.2
343.05518	2.9
345.07339	2.5
357.07401	3.4
369.07315	5.3
373.07104	2.7
375.11987	3.2
397.06772	2.6
399.08420	7.9
401.06049	3.2
415.07568	8.1
417.05511	2.7
428.08545	2.9
430.10513	4.7
432.08292	2.5
433.12952	2.5
442.10022	3.2
443.11642	11.8
445.12952	55.4
446.12808	8.0
446.37772	2.2
447.10446	4.0
448.10986	2.3
457.12622	3.1
459.10635	10.3
460.11151	2.3
461.12027	8.1
462.12650	5.8
474.13202	22.7
475.13632	5.0
476.14172	3.3
477.15747	14.2
489.15585	62.9
490.16357	9.8
511.06064	3.3
520.81073	2.2
526.08606	4.5
541.11188	3.3
556.13959	2.9
569.10400	3.6
571.15430	5.9
584.12262	5.9
599.15546	76.3
600.15814	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	599.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55979	1.3
52.16007	1.4
53.08714	1.4
53.73989	1.4
59.01223	2.2
60.17584	1.3
65.03801	1.7
67.01723	2.4
90.42268	1.3
95.01242	2.3
96.49393	1.5
108.01994	2.5
109.02847	21.4
111.32751	1.4
119.22375	1.4
121.02850	10.2
123.00679	6.3
124.01494	3.1
125.02274	2.0
136.01483	2.8
137.02292	2.8
138.03041	2.9
151.00264	1.8
153.05391	2.1
161.02347	3.2
163.00154	2.8
163.03870	3.3
171.10048	6.3
188.65355	1.6
199.03795	2.2
209.11687	3.4
211.03847	3.7
224.04590	1.6
225.05305	1.7
227.03314	3.2
229.77148	1.5
239.03339	5.1
240.04015	2.2
241.04813	6.1
251.03343	2.2
253.04863	3.1
254.01888	2.7
255.02736	12.7
255.05695	2.8
256.03519	2.0
257.04300	4.2
265.04819	4.2
267.03186	7.1
267.06583	9.9
268.03494	4.0
268.07047	2.6
269.04279	4.5
270.05008	5.4
271.02176	1.8
271.05829	2.4
272.06717	2.8
279.06329	1.9
280.03519	1.9
280.06595	2.0
281.04269	4.6
282.05280	3.2
283.05859	6.6
284.06488	2.4
285.03818	4.7
285.07437	4.0
287.09006	5.6
293.04675	2.0
293.07962	5.8
296.06616	2.9
297.07599	10.4
307.05817	1.9
311.09247	7.6
313.10757	2.8
341.77457	1.8
359.05243	2.0
371.09006	3.7
372.09833	2.1
373.06757	4.7
385.06903	3.5
389.10172	2.4
399.08563	2.9
400.09470	2.9
401.06647	7.9
405.09244	2.2
415.12411	10.1
416.08868	14.1
431.11572	11.4
445.13046	16.8
446.13770	62.2
447.14554	7.5
461.11914	2.2
467.07681	1.6
474.12717	4.4
475.13544	1.9
483.06430	2.0
484.06989	1.8
489.15540	10.6
490.15448	1.9
498.08966	2.4
508.07285	2.6
511.06665	6.9
523.09967	2.4
526.09100	11.0
527.08215	2.4
540.10126	1.8
541.11499	7.4
556.13861	10.4
567.15942	2.3
571.16144	12.6
572.16095	2.3
581.17572	3.1
584.12982	10.8
599.15405	100.0
600.15692	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	599.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03298	4.7
59.01251	100.0
61.86108	4.1
82.57722	4.0
98.19808	13.5
118.99879	4.7
125.02338	37.4
127.17965	4.5
132.34996	4.3
147.08044	21.8
153.01926	5.1
175.03915	8.0
177.01869	7.6
191.07079	11.8
209.08382	4.0
213.15117	4.4
214.37123	4.0
217.05026	5.3
251.09171	4.5
285.04028	19.0
303.05130	19.2
315.08667	4.5
316.08939	5.8
375.70285	5.1
404.58649	4.6
420.65948	4.6
508.14859	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	599.1562
Annotation	Neosappanone A
Peak:m/z	Relative Intensity
59.01239	1.4
60.66004	0.5
62.96664	0.6
69.74754	0.6
69.87061	3.6
70.10445	0.6
81.09508	0.7
95.01245	1.3
109.02841	1.7
121.02848	1.2
123.00771	2.7
123.04433	0.6
124.01559	1.4
125.02305	0.9
136.01578	0.7
137.02339	1.4
138.03130	0.8
145.02863	0.7
147.04391	0.7
149.02316	1.3
149.99530	0.7
151.00279	0.7
161.02299	0.7
162.80731	0.6
164.01016	1.2
171.10144	2.1
175.04031	1.1
178.02631	0.7
187.03899	1.6
209.11804	1.1
211.04010	0.9
215.03508	0.9
226.02795	0.8
227.03307	1.1
236.92703	0.6
239.03397	1.2
240.04156	0.8
241.71646	0.6
242.02267	0.6
243.02895	1.2
253.05029	0.7
255.02975	3.2
256.03793	0.9
257.04437	1.4
265.04987	0.7
267.03064	0.8
267.06610	0.9
268.03683	1.7
269.04456	1.8
279.03189	1.0
281.04480	1.0
283.06271	1.3
292.03482	0.7
295.02371	1.7
296.03055	0.8
310.05078	0.8
319.06271	0.8
323.05652	0.7
325.07111	0.7
331.05853	0.7
343.05890	0.7
346.04483	0.8
347.05496	1.4
348.06522	0.8
359.05496	2.4
360.06357	0.7
361.07330	0.7
362.03952	0.6
371.09418	0.8
375.04980	0.9
376.05624	1.1
377.06375	0.7
381.07721	0.8
389.10422	1.1
390.07312	1.5
415.12115	1.2
416.09140	1.3
431.10934	0.8
437.05746	0.9
439.07947	1.4
446.13928	4.3
455.07700	1.1
465.05972	0.8
467.07550	1.7
483.06345	1.2
493.05008	1.0
494.06354	2.0
495.06854	0.9
498.09561	0.9
508.08026	1.8
509.08719	1.7
510.09064	1.9
511.06610	8.2
513.11847	1.6
523.10791	0.9
525.12274	1.2
526.09003	12.8
527.09094	2.1
537.08850	0.8
539.06207	0.8
540.11176	0.8
541.11487	7.2
542.11981	1.0
551.10120	1.1
554.08527	3.3
556.13727	7.7
569.10529	4.8
570.11792	0.9
571.16016	10.7
572.16290	0.9
581.14777	0.9
584.13275	11.5
585.13446	1.8
599.15552	100.0
600.15900	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	599.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	2.7
58.98225	1.4
59.01249	25.8
63.02275	10.4
65.00191	4.5
71.01246	3.0
73.84102	1.5
76.17122	1.4
78.95765	3.4
82.19918	1.3
83.01250	8.3
96.95876	2.8
107.01265	14.9
125.02314	18.8
149.02322	2.5
150.03128	6.1
151.00272	35.8
152.00708	1.6
152.99336	1.9
161.02351	2.3
165.05469	6.7
166.02586	2.6
168.40689	1.3
169.01315	13.2
177.01892	3.1
178.99777	100.0
180.00151	2.2
181.05000	4.3
195.06587	5.0
202.06288	6.2
211.05965	2.0
243.10179	6.0
256.03680	4.5
271.09744	7.3
297.07599	3.1
318.15915	1.6
325.07187	2.9
335.22406	3.9
358.46671	1.5
425.48932	1.8
429.08142	4.0
433.09207	7.7
451.10800	1.7
477.08368	3.2
523.07190	1.7
537.10217	4.2
555.11505	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	599.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98693	0.7
65.00189	1.0
71.11322	1.3
83.01258	1.0
89.65241	0.5
94.30754	0.5
107.01276	2.1
108.02070	1.1
109.02839	2.2
113.64527	0.5
121.02830	2.2
135.00824	0.6
150.03143	0.6
151.00275	12.2
162.03113	1.2
163.00270	3.1
163.03833	0.6
169.01337	1.1
173.05930	0.6
177.05470	1.8
178.02576	0.7
178.99789	5.8
192.00470	0.6
193.05005	0.9
211.03920	1.4
226.02722	0.9
227.03453	1.7
229.04974	1.2
233.50674	0.5
243.02991	5.6
245.04491	1.4
254.02124	1.6
255.02986	13.9
256.03406	1.4
271.02463	30.1
272.02832	3.0
273.04037	1.5
283.02469	1.1
285.03949	0.6
299.02142	1.3
300.02740	64.8
301.03479	50.7
302.03775	3.5
447.09302	100.0
448.09641	10.9
455.26221	0.6
629.36237	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	2.0
63.02257	2.1
64.58064	0.3
64.99884	0.5
65.00191	4.4
68.99673	0.4
69.32260	1.4
69.32687	2.0
69.93856	0.4
70.92988	0.4
71.01250	1.5
73.02810	0.3
79.01764	0.4
83.01268	3.6
85.02831	0.4
89.02311	0.9
93.03326	1.4
95.01271	0.8
96.95867	0.7
99.00751	1.8
100.20206	0.3
101.02324	0.4
107.01273	8.5
108.02099	0.4
109.02842	4.6
111.00765	0.4
113.02323	0.4
114.94743	0.3
119.01279	0.4
121.02846	8.9
122.03201	0.3
123.00757	1.4
124.01524	0.4
125.02338	5.7
131.03416	0.5
135.00775	0.5
136.98676	0.3
137.02399	0.8
139.03909	1.0
140.01018	0.6
143.04927	0.3
147.04408	0.4
148.01547	0.5
149.02382	1.8
149.04431	1.2
150.03098	0.9
151.00278	33.7
152.00662	0.9
159.04425	0.9
161.02338	1.1
161.05893	0.4
163.00322	3.6
163.03925	0.5
165.01813	0.6
165.05455	1.6
168.00610	0.9
169.01335	8.8
170.01682	0.4
171.04449	0.4
173.05951	0.5
175.03931	0.7
177.01926	0.4
178.02641	0.4
178.99783	15.1
179.03337	0.5
183.04428	0.5
185.06013	0.4
187.03928	1.0
191.05518	0.6
192.04300	0.5
193.01346	1.1
193.04951	0.7
195.06465	0.8
199.03839	0.7
201.05487	1.3
201.12767	1.0
203.03502	0.4
203.05540	0.4
205.05020	0.4
207.06474	0.5
211.03944	2.0
212.04585	0.4
214.02501	0.4
215.03464	0.5
227.03471	2.8
229.05058	2.0
239.03442	0.7
243.02902	0.6
245.04558	2.7
245.11839	1.8
247.93475	0.3
255.02983	5.8
256.03589	1.1
257.04562	0.7
263.12976	0.8
266.02161	0.8
271.02469	1.2
272.02798	0.4
273.04041	2.6
283.02423	1.4
284.03256	2.9
285.03946	2.2
297.05960	0.5
300.02710	1.6
301.03519	100.0
302.03854	7.0
313.05597	2.7
338.33453	0.3
357.13541	1.5
373.13046	0.5
390.28290	0.3
396.14456	0.6
403.21484	0.3
447.09317	2.2
473.19778	0.3
529.65698	0.4
581.22247	0.9
599.10474	13.0
600.10571	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.387
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05474	0.5
59.01243	1.7
69.57647	3.1
71.01237	0.9
72.99168	0.4
73.02824	0.5
75.00746	1.5
80.04934	0.5
81.03329	16.3
83.04897	48.5
84.05228	1.2
87.60772	0.4
100.07554	6.6
101.02354	0.5
111.77513	0.5
125.02350	2.4
126.05503	1.5
127.03844	0.6
127.72415	0.4
155.04425	0.5
169.01363	1.2
170.01668	0.6
171.01819	0.6
175.03963	0.5
199.18077	8.5
224.17606	0.6
225.16014	10.6
225.18076	0.7
226.14485	0.6
226.16579	0.9
243.17101	25.9
244.17398	1.6
269.15103	1.6
309.21814	1.1
353.20798	7.3
425.35156	0.7
451.32785	2.2
469.33963	16.7
470.34201	2.4
495.31815	0.7
579.37537	2.4
580.37866	0.8
597.38696	100.0
598.38965	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	597.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34606	0.6
59.01250	1.0
63.18426	0.8
69.62077	4.3
71.01209	0.6
72.75525	0.7
78.95766	0.9
80.06676	0.6
85.02813	2.2
88.98646	0.9
96.95853	1.6
125.02296	3.0
132.02055	1.4
137.02307	0.6
151.00282	0.8
160.01527	3.3
161.06023	0.7
163.53183	0.8
165.05510	1.9
169.01270	3.5
175.03905	3.0
177.05467	1.3
179.07037	2.6
190.06236	1.8
192.04372	0.8
203.07072	1.8
212.08420	1.4
221.08069	0.9
222.05125	3.1
228.07870	0.9
228.51930	0.7
237.05463	2.2
238.06303	2.4
239.06981	1.1
240.07880	3.2
243.06615	2.1
244.07327	1.3
249.05559	0.8
250.06314	1.0
252.08014	0.7
253.08678	1.5
255.06444	1.3
255.10155	1.8
256.07355	1.8
266.06018	1.3
267.06598	3.0
268.03812	2.2
268.07355	12.0
268.10089	0.7
269.07846	1.0
278.05508	0.9
279.06500	2.5
280.07410	4.8
281.08069	1.6
283.06134	4.5
283.09753	11.1
284.06824	4.2
284.10010	1.1
291.06320	1.0
293.08093	1.8
294.05383	1.6
294.08786	1.3
295.06186	2.2
295.09357	0.9
296.06857	7.2
297.07617	3.4
299.06152	0.8
299.09146	4.5
307.06033	0.9
308.06903	8.2
308.10245	1.3
309.07626	8.8
310.08536	1.3
311.05927	1.1
311.09256	4.7
312.06439	11.6
312.09839	1.1
313.05789	2.9
313.10675	0.7
321.07425	3.1
322.08356	5.6
323.09216	16.1
324.06326	5.9
324.09946	10.4
326.07904	1.8
327.08746	35.8
327.12012	1.3
328.08948	2.8
337.10788	3.0
338.11533	4.4
339.08734	50.9
339.12384	8.5
340.09106	4.6
340.12640	1.3
341.10233	3.0
341.14011	1.1
342.11069	37.4
343.11447	3.6
353.10306	1.7
354.11005	13.4
355.11365	1.5
356.12659	2.5
357.13409	100.0
358.13797	9.2
363.87689	0.8
369.13397	98.9
370.13678	13.1
492.30334	0.8
567.22247	4.0
576.63306	0.8
597.12451	2.4
597.23529	2.6
598.24329	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.9
57.03316	1.8
59.01248	2.6
61.51970	0.9
61.98716	0.9
68.99673	1.7
69.03313	0.8
71.01248	3.1
72.56188	0.8
73.02835	1.6
75.00745	1.6
81.03334	7.9
83.01266	6.9
83.04884	1.0
85.02818	4.3
87.00765	0.9
93.03350	5.3
95.01260	2.8
95.04917	4.7
97.02847	5.8
99.04403	1.9
101.02324	1.0
107.04897	2.3
108.02049	1.0
108.32912	0.8
109.02838	3.3
111.00763	1.5
111.04411	2.5
113.02340	2.4
119.04913	9.2
121.02827	3.1
121.06429	1.0
122.03638	1.2
123.00631	0.9
123.04411	18.0
125.02337	13.7
127.93399	0.7
131.04861	0.9
135.04424	5.4
137.02367	6.8
137.05966	7.8
138.03130	1.2
139.03920	10.3
141.05437	1.2
141.94075	0.9
145.02917	0.9
147.04410	4.7
149.02345	2.4
149.05986	2.0
151.03885	3.7
153.01883	2.0
153.05484	1.1
159.04463	0.8
161.02315	0.9
161.06024	2.4
163.03877	4.3
165.01881	2.0
165.05484	8.3
166.02580	1.1
167.03427	29.8
168.03799	1.9
175.03906	1.2
177.05464	3.0
179.03450	7.8
179.07042	2.5
180.04324	2.0
181.04970	2.5
189.05504	7.0
191.03436	2.6
191.07086	0.9
193.04985	3.2
195.06601	1.0
197.04520	4.9
205.04962	1.4
207.02966	1.5
207.06535	1.8
209.04512	29.2
219.02940	1.5
221.04443	3.2
223.06104	1.6
229.08623	1.4
229.92709	0.9
233.04578	1.7
239.05566	10.2
240.05930	0.8
247.06169	1.2
251.05540	4.0
263.05664	1.5
269.06680	1.3
273.07706	3.6
281.06638	1.0
285.07840	2.2
315.08774	17.8
327.08716	7.4
339.73718	0.8
341.06641	1.0
345.09781	6.7
354.14044	0.9
355.08005	1.4
357.09805	100.0
358.10156	10.2
369.09875	3.9
370.10211	0.9
371.10846	1.0
378.13223	1.3
387.10858	83.3
388.11206	8.6
393.15649	2.4
399.10718	4.7
417.11874	22.7
418.12247	2.5
429.11954	3.0
441.11945	1.1
459.12955	10.7
471.13101	1.2
477.14017	19.8
478.14636	1.5
489.14133	6.4
507.14966	2.9
579.16711	1.1
597.18164	8.4
598.18695	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1769
Annotation	Hexaspermone A
Peak:m/z	Relative Intensity
50.07461	1.8
56.69248	1.7
59.01243	5.6
60.82473	1.8
61.98683	2.8
65.03828	2.9
69.41510	10.5
69.41937	7.9
71.01260	3.6
78.01225	1.9
81.03368	2.5
83.28477	1.8
84.11295	2.4
88.98671	14.9
89.02292	3.0
95.01266	3.6
108.02065	3.7
109.02839	25.7
121.02850	34.8
123.00749	12.2
124.01543	3.3
125.02317	6.3
137.02339	4.0
138.03143	9.2
149.02365	2.1
153.05473	2.4
165.09126	7.1
171.04497	3.1
182.03589	3.3
183.04436	4.3
187.03873	2.4
197.05994	4.1
199.03903	2.6
209.08147	24.5
211.04021	7.3
224.04752	2.2
225.05502	5.6
226.02649	4.4
227.03497	11.2
233.08110	4.9
239.03502	5.0
241.05022	3.2
253.05077	6.2
254.02194	24.9
255.02966	55.4
256.03619	6.4
257.04575	2.3
267.03073	7.1
268.03876	5.5
269.04501	15.5
270.05273	26.5
271.06039	6.2
280.03879	3.1
281.04565	25.9
282.05377	6.5
284.06888	17.3
285.07617	34.1
286.08453	2.9
295.06192	6.0
296.06903	11.5
297.07501	11.6
298.08194	2.9
301.10880	7.1
311.09265	49.8
311.12805	2.7
312.09631	3.7
318.05377	3.6
329.07687	3.0
357.07822	4.2
359.05402	3.2
374.04379	8.1
385.07376	2.8
389.06744	5.6
396.05942	2.7
403.08438	2.7
404.09015	14.3
413.06775	9.2
414.07431	4.0
428.09146	3.8
429.09717	3.7
430.06857	5.2
443.11853	17.2
444.11942	5.4
445.09235	10.9
446.09763	2.7
457.09381	3.3
458.10162	2.8
460.11969	5.6
473.12558	4.1
475.13931	20.2
476.14868	2.3
487.14096	8.9
488.14767	3.4
508.65002	2.4
551.13403	2.5
567.12793	7.4
579.16803	9.8
580.17175	3.8
582.15485	24.6
583.15234	2.9
597.17792	100.0
598.18121	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	597.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.5
65.03830	1.2
71.58845	1.7
85.61966	1.1
95.01250	1.6
109.02838	5.4
117.61382	1.1
121.02853	15.7
123.00767	4.9
124.01581	1.7
133.02876	1.2
137.02298	2.1
138.03117	1.8
163.03893	1.2
180.34964	1.0
187.03925	1.5
209.08052	1.0
211.13216	1.1
225.05521	1.9
226.02713	2.1
227.03481	3.1
239.03571	2.0
251.03458	1.5
253.05099	2.1
254.02409	1.2
255.02937	6.8
267.02927	4.8
268.03659	3.0
269.04578	5.3
270.05295	3.8
280.03802	1.1
281.04611	5.0
282.05368	3.8
283.05975	1.6
284.06918	3.4
285.07675	3.5
293.04672	1.0
295.06021	1.1
297.07666	4.4
301.11002	1.2
311.09451	4.9
373.07208	1.3
374.04126	1.6
385.07236	1.2
387.05063	1.8
389.06790	1.3
404.09235	1.1
413.06650	3.6
414.07327	2.8
415.04691	4.5
428.09467	1.9
430.07004	1.6
443.11609	7.2
444.12289	4.8
445.09274	5.3
457.51862	1.1
460.12143	1.0
472.11743	1.7
475.14148	7.5
487.13962	2.3
524.11365	1.2
534.09924	1.4
535.10883	1.3
537.08301	4.3
549.11664	2.2
552.10669	8.4
565.15283	1.7
567.12964	8.6
568.13873	1.3
582.15436	17.6
583.15460	2.5
597.17737	100.0
598.18085	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	597.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	1.9
61.39150	1.1
69.03432	1.2
75.40343	1.1
85.81090	1.1
95.01259	1.7
98.20573	2.1
108.02059	1.4
109.02837	7.4
121.02833	5.1
123.00774	13.9
123.04343	1.6
124.01532	1.7
125.02332	2.0
137.02406	1.2
138.03123	14.7
151.03909	1.5
153.05495	8.3
157.76297	1.1
161.02354	1.2
183.04462	1.7
197.06018	1.7
211.03937	3.0
225.05418	2.1
227.03592	2.1
229.73293	1.3
230.35728	1.3
237.46054	1.3
238.70805	1.1
239.03511	1.9
251.03380	1.4
253.05013	4.7
254.02144	1.6
255.02991	15.3
261.05472	1.3
263.03583	1.4
264.04288	1.5
265.05042	2.9
266.02237	1.3
267.02850	3.5
268.03729	1.8
269.04587	1.5
270.05219	7.0
277.04980	3.6
281.04575	15.4
282.05121	3.5
283.05957	1.6
285.07596	2.7
289.05017	2.3
291.06482	1.4
296.06931	2.9
297.07672	2.3
311.09241	10.9
315.06451	1.4
329.08264	2.2
341.07925	1.3
342.05307	1.6
343.06046	3.2
357.07651	5.4
358.04303	1.5
367.06091	2.3
371.05707	2.1
372.01746	1.4
372.06003	1.3
385.07050	5.4
387.08780	2.1
395.05530	1.7
396.06268	1.4
397.07138	2.6
400.05695	2.9
401.06506	3.2
412.05695	1.3
413.06619	36.6
414.07309	10.0
415.08151	2.0
416.09296	2.0
428.09033	16.2
429.09674	4.0
430.10507	3.0
431.11295	5.1
443.11386	100.0
444.11880	17.9
475.13959	3.1
487.14108	2.0
520.07904	3.4
521.08392	2.5
535.10394	3.8
537.08307	1.8
550.12640	4.9
551.13495	2.2
565.15051	17.8
566.15430	4.5
567.13086	5.3
582.15387	9.9
583.15948	2.1
597.17645	56.4
598.17792	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
60.93708	1.0
63.47432	0.9
66.98841	0.8
70.35148	3.8
71.11169	0.9
78.95776	80.8
96.96837	16.0
98.19829	1.0
150.97906	1.2
152.99495	100.0
171.00581	2.9
188.18759	1.0
223.00058	8.9
241.01160	34.3
279.23285	71.7
280.23691	6.6
293.88901	0.9
315.04883	21.0
316.05295	1.4
333.06027	1.2
351.45728	0.9
415.22525	2.3
563.27911	1.0
595.28864	86.3
596.29095	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	597.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	2.2
61.98676	1.1
69.36663	1.1
69.78368	3.3
69.78780	2.9
71.01246	1.3
95.01316	1.5
108.02057	2.1
109.02851	7.1
109.03488	1.1
121.02852	8.0
123.00793	6.7
124.01564	2.2
125.02348	1.1
131.05873	1.0
137.02344	3.3
138.03131	2.3
145.02913	1.0
147.00902	1.1
153.05450	1.3
153.66496	1.1
162.03133	1.2
169.12318	1.6
225.05685	1.3
227.03468	1.3
239.03496	3.0
241.05060	2.1
248.04881	1.1
251.03691	1.8
253.05194	1.9
255.03008	4.8
265.04971	1.4
267.02957	7.3
268.03784	3.3
269.04535	5.0
270.05228	2.3
277.05026	1.9
281.04581	2.6
282.05408	4.2
283.06143	3.0
284.06943	3.8
285.07886	1.6
289.05005	1.4
297.07645	6.1
298.08432	1.7
299.09351	3.7
301.05035	1.8
315.06607	1.4
319.06049	1.6
341.07922	2.4
343.06412	1.2
354.05530	1.2
357.07690	4.0
367.06168	2.0
369.07639	2.2
370.08661	1.5
371.05692	3.3
372.06436	2.1
373.07346	2.1
385.07318	1.9
386.08185	2.9
387.08981	2.0
397.07294	1.6
399.12543	3.0
401.06479	1.7
403.08414	1.9
410.26178	1.2
413.06415	6.8
414.07462	17.9
415.08115	1.9
419.11380	2.8
420.11694	1.8
429.10049	6.6
431.11313	1.8
443.11728	8.7
444.12173	41.7
444.18332	2.1
445.08441	2.5
445.13428	1.7
460.11765	1.5
475.13956	5.6
487.14127	2.7
493.09561	2.0
520.07642	1.4
535.10278	1.5
537.08099	1.4
552.10992	1.9
565.14972	2.3
567.13330	6.6
579.16675	4.1
582.15344	16.8
583.15375	2.6
597.17749	100.0
598.18152	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	595.2888
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
51.82494	0.6
62.96291	0.7
64.32464	0.7
70.15756	3.3
78.73446	0.6
78.95776	68.7
82.53655	0.6
93.30977	0.6
96.96847	12.0
99.60208	0.6
130.75227	0.8
150.97852	0.7
152.99490	100.0
153.99849	1.8
171.00577	1.9
223.00093	11.8
241.01146	28.8
242.01443	1.0
259.02332	1.5
279.23279	66.2
280.23618	6.4
290.26547	0.7
300.10184	0.6
315.04861	18.7
327.69156	0.7
333.05759	1.0
553.78699	0.8
595.28870	71.7
596.29297	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	595.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95776	78.7
88.79624	0.8
96.96843	17.5
98.19807	1.9
117.85217	0.8
128.53354	0.9
150.97942	1.2
152.99490	67.9
171.00598	1.5
190.53380	0.9
198.53256	1.0
209.11794	9.6
210.12209	0.9
223.00084	2.4
227.12993	0.9
241.01143	35.9
241.45190	0.9
279.23300	74.8
280.23672	8.1
295.22836	1.2
311.22375	2.6
313.81683	0.9
315.04831	14.5
315.60825	1.2
415.22665	6.9
533.03784	1.0
569.77087	1.1
595.28888	100.0
596.29242	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	595.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30429	1.1
59.01251	75.1
59.64614	1.3
61.98712	1.5
66.79238	1.1
67.67512	1.2
71.01260	2.7
71.58141	1.4
73.02825	4.1
78.95778	1.7
83.01263	1.6
101.02366	2.5
113.02287	2.0
119.21681	1.3
127.54269	1.5
169.44417	1.2
241.15947	8.6
253.15794	1.3
257.19034	6.1
259.20291	1.2
269.19189	2.8
303.19788	2.1
309.18756	3.2
327.19626	9.7
331.19131	100.0
332.19427	13.3
355.19174	3.8
358.76840	1.6
373.20224	4.3
452.48819	1.5
533.06366	1.5
535.25183	2.3
540.08832	1.6
595.12415	2.4
612.06049	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03032	0.5
56.48899	0.5
56.93519	0.6
68.11010	0.7
70.33705	2.6
75.76686	0.5
78.95777	75.0
85.96026	0.6
96.96844	12.9
150.97910	2.0
152.99492	100.0
153.99843	1.3
171.00571	2.1
190.40959	0.6
209.11771	1.6
223.00058	9.4
241.01147	26.3
242.01495	0.9
259.02252	1.9
261.22260	0.7
279.23285	58.8
280.23590	6.6
315.04865	17.3
316.05524	0.9
333.06033	1.7
549.95526	0.7
595.28906	71.8
596.29169	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.7
55.91972	0.5
57.03323	5.7
57.43885	0.5
58.00456	0.5
59.01254	34.9
61.98694	0.8
67.01785	0.8
68.99672	0.7
69.03323	1.0
69.43024	3.6
69.43433	1.1
71.01257	26.4
72.99190	6.3
73.02814	3.1
75.00749	35.1
75.26898	0.5
83.01257	4.2
84.02029	0.7
85.02827	36.6
85.99985	0.6
86.03131	0.6
87.00761	10.1
87.04393	33.3
88.04740	0.7
89.02316	3.1
95.01271	3.7
96.95901	0.9
97.02814	1.7
97.20300	0.5
99.00758	11.5
99.46326	0.5
101.02323	5.0
103.00245	1.0
111.00749	2.5
112.01518	1.0
113.02337	31.6
114.02679	0.9
115.00280	2.7
117.01822	1.9
125.02348	3.3
129.01845	2.7
131.03413	0.5
136.76883	0.5
137.02325	0.8
144.18819	0.6
157.01329	1.8
161.04442	0.7
169.01352	1.1
173.04565	0.7
175.02422	4.9
177.01852	1.0
179.03401	0.6
191.01933	0.6
205.03485	1.8
209.02937	0.5
223.04602	2.8
319.63074	0.5
377.21545	0.7
491.24924	1.7
535.24060	1.1
553.24969	1.5
577.25092	0.6
595.26038	100.0
596.26361	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	595.1667
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
71.01230	2.9
71.32397	3.3
79.01784	2.3
81.03338	2.8
83.01252	4.8
83.11500	1.5
84.13638	1.7
90.10703	1.7
93.03330	7.8
95.01258	2.7
97.02823	7.2
107.01247	6.8
107.04896	2.6
109.02823	4.7
111.04402	1.8
117.03349	2.0
119.04915	50.5
120.05215	2.6
121.02850	4.6
123.00764	2.9
123.04390	1.7
124.83250	1.6
125.02325	9.7
135.04442	3.3
137.02327	6.9
139.03900	6.1
143.04921	8.1
145.02831	9.1
147.04413	4.0
149.02351	6.7
150.03108	2.4
151.00267	4.8
151.03912	3.4
161.02382	1.6
161.06007	2.1
163.00232	4.5
163.03928	4.2
165.01842	6.8
165.05469	2.2
167.03416	11.3
177.01825	6.5
178.02531	2.0
179.03386	4.6
181.93446	1.8
187.03920	8.7
189.05444	2.0
191.03445	4.2
192.00595	2.2
193.01361	14.3
197.04480	4.0
199.07562	5.1
205.01318	8.8
205.04973	2.5
207.02873	5.4
209.04500	4.8
219.03040	4.0
223.02419	2.2
227.07059	4.7
233.04424	1.8
235.02437	14.9
239.05339	2.7
243.06363	2.0
245.08148	1.9
265.03549	9.1
271.06116	6.0
283.06146	2.3
313.07166	19.9
314.07220	2.3
325.07245	10.4
343.08136	8.1
355.08237	100.0
356.08640	11.4
367.08359	5.2
385.09280	75.5
386.09653	8.5
397.09155	4.7
415.10284	23.3
416.10812	3.3
445.11224	1.7
457.11252	11.1
475.12338	40.6
476.12717	5.0
487.12314	6.8
487.92868	2.2
505.13477	11.0
577.15985	4.3
595.16681	73.7
596.17328	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	593.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73706	10.1
59.01249	100.0
64.93181	8.4
64.96797	8.0
71.01248	26.8
71.57974	11.2
71.69469	8.0
73.02798	8.2
78.95790	29.4
85.02826	19.0
88.98681	12.6
101.02319	15.9
105.25063	9.5
109.02847	10.3
125.02334	34.3
147.48972	9.5
150.03105	13.2
160.57669	9.1
163.44556	9.6
169.01331	29.3
246.37894	8.9
271.02570	12.5
271.95493	10.2
286.12500	9.3
441.17822	11.6
489.34442	16.9
507.35034	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	594.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40780	0.4
52.41764	0.4
57.03320	0.8
57.52473	0.5
59.01251	25.6
61.98692	1.8
62.96281	0.6
70.02867	0.7
70.03281	1.8
78.95774	30.8
96.04260	0.5
96.96836	0.7
97.06477	0.6
98.20099	1.0
113.09602	2.3
121.02827	0.8
122.98427	0.9
152.99475	6.3
165.01770	0.6
168.04225	5.2
176.90738	0.6
179.14342	1.4
181.12225	0.8
195.13829	19.9
196.14146	1.1
209.11729	0.7
224.06891	11.5
242.07932	3.7
277.21704	18.0
278.21988	1.5
293.21146	1.1
294.21555	1.5
295.22763	77.6
296.23090	6.9
315.63193	0.4
386.24152	0.5
429.03961	0.5
431.21561	0.6
449.23111	1.4
464.72202	0.6
520.30420	100.0
521.30682	11.8
534.31024	0.5
594.14044	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.5
59.01250	21.0
70.92436	0.3
71.21707	0.9
78.95779	11.2
84.45810	0.4
86.36600	0.4
97.43407	0.4
113.09594	2.6
121.13419	0.3
124.01508	0.4
152.99512	3.0
155.05463	0.4
168.04178	2.6
168.36945	0.4
177.12810	1.0
179.14354	1.2
181.12340	0.4
195.13835	19.3
196.14191	1.5
224.06842	1.8
242.07939	5.1
269.30032	0.4
277.21722	15.6
278.22089	1.4
295.22778	100.0
296.23077	10.1
309.24045	0.6
449.23276	1.2
520.30450	52.2
521.30798	7.0
563.08771	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1309
Annotation	Quercetin 3-alpha-L-arabinopyranosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
53.33590	0.4
55.03109	0.4
57.03316	0.4
59.01254	3.8
62.29249	0.4
65.00196	0.6
69.48770	3.6
71.01265	2.2
72.99186	0.6
73.02829	0.6
81.70744	0.4
83.01256	0.6
85.02831	1.2
87.00729	0.5
89.02307	1.2
91.01775	0.4
94.62599	0.4
98.20563	0.4
99.00780	0.5
99.94917	0.4
101.02319	1.0
107.01254	1.2
108.02066	1.9
113.02315	0.8
114.77229	0.4
116.70056	0.5
119.03399	0.5
121.02858	0.9
123.04411	0.4
124.01527	0.6
125.02355	1.2
135.00818	0.7
135.04402	0.6
148.01591	1.1
149.99438	0.4
151.00290	5.1
152.01021	0.6
153.01785	0.4
161.02336	0.5
163.00240	1.2
163.03815	0.6
168.00511	0.5
169.01334	0.7
175.02432	0.5
178.99757	3.3
199.03960	1.0
211.03918	0.7
215.03470	1.1
222.62437	0.4
226.02695	1.4
227.03467	2.6
243.02965	10.6
244.03337	0.8
254.02214	1.8
255.02977	24.7
256.03348	1.8
271.02487	50.7
272.02975	4.0
273.03894	0.6
299.01950	2.8
300.02747	100.0
301.03308	12.0
313.11066	0.5
343.11526	0.6
410.63391	0.4
445.07474	0.6
449.20435	0.6
475.08810	0.7
488.52161	0.4
595.13043	45.5
596.13507	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	593.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45368	6.5
57.03314	11.9
59.01254	100.0
60.07802	6.0
71.01250	23.6
72.72521	4.8
72.99182	6.2
78.34252	5.1
78.95768	17.8
83.01247	11.2
85.02825	10.4
87.00724	8.3
96.95969	5.6
97.89262	5.2
109.02793	7.5
113.02297	8.1
125.02339	54.3
137.02341	6.1
139.18817	5.9
151.00256	12.9
151.03935	7.0
169.01321	20.4
178.99719	12.9
186.78232	5.5
190.86925	6.2
207.79861	6.0
255.02847	5.8
289.07248	9.4
307.10641	6.5
310.15976	6.2
410.54642	6.4
441.08035	8.9
441.17346	21.0
442.17862	8.0
489.34467	34.6
507.35214	10.9
593.08997	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	593.273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91261	0.7
53.41714	0.7
69.29535	7.4
78.95775	62.7
96.96842	12.0
97.68266	0.7
98.20299	2.9
101.12845	0.7
103.27174	0.8
127.17165	0.7
152.99486	100.0
153.99817	0.9
163.53975	0.8
169.53455	0.8
171.00571	2.8
223.00081	9.8
241.01140	27.3
259.02118	1.2
277.21716	42.8
278.22037	3.5
315.04886	16.5
333.05844	1.5
352.81732	0.7
593.27283	74.8
594.27478	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	593.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01588	0.7
59.01249	1.6
59.21031	0.6
69.42312	0.7
69.42712	5.9
73.09256	0.8
75.00754	0.8
78.95775	69.7
96.95892	1.5
96.96836	12.4
98.19862	1.6
135.94305	0.6
150.98056	0.9
151.50572	0.7
152.99490	100.0
153.99844	1.0
171.00505	3.1
190.10582	0.6
223.00070	8.5
238.64236	0.7
241.01143	26.2
241.03603	1.4
242.01585	1.5
259.02209	2.4
277.21716	51.6
278.22052	4.0
295.22760	1.8
315.04871	17.7
333.05832	1.3
355.45084	0.6
355.49576	0.9
406.70105	0.6
473.00070	0.7
486.35043	0.7
593.27319	73.5
594.27692	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	593.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.9
55.26165	0.6
57.03326	5.4
58.00461	0.8
59.01251	21.1
69.03304	1.6
69.50800	1.7
69.51205	4.6
71.01254	24.5
72.99184	4.0
73.02816	5.0
75.00748	19.5
76.43997	0.6
79.01727	0.8
83.01277	4.9
85.02824	24.2
86.03179	1.1
87.00748	6.7
89.02316	6.1
92.76601	0.6
95.01263	5.7
96.95869	2.4
97.02837	1.9
98.19834	1.6
99.00761	9.3
101.02308	6.8
107.01256	2.7
109.02828	2.1
111.00761	6.2
113.02331	26.6
114.02702	0.8
115.00240	2.4
117.01779	0.9
119.03378	1.9
123.00750	3.8
124.01568	0.7
125.02336	10.1
129.01810	2.3
137.02361	1.1
139.00247	1.2
139.03864	0.9
140.01071	1.3
149.02315	0.8
151.00255	2.4
151.03889	0.8
152.00980	1.2
157.01308	1.0
161.04456	1.2
163.03934	0.9
168.00545	4.3
169.01326	12.1
175.02341	2.6
180.04198	0.8
195.06511	0.9
211.02463	10.5
225.07687	1.1
225.50885	0.6
271.04529	13.1
331.06613	1.5
335.06296	3.2
417.11569	0.7
441.17612	2.9
482.14264	3.1
483.14996	2.7
549.19653	4.2
593.18658	23.5
593.28082	100.0
593.96826	0.8
594.18933	5.7
594.28424	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	593.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33979	0.5
51.88142	0.6
57.03313	0.7
59.01246	2.5
61.98695	1.8
71.01263	7.2
72.99184	0.6
73.02837	1.4
73.75864	0.7
78.95763	2.1
78.98471	6.0
79.95611	36.8
80.96393	57.8
85.02838	3.1
87.00748	2.8
89.43127	0.6
94.97958	13.4
95.01266	1.0
96.95901	1.7
97.02811	1.2
98.20564	1.4
101.02326	2.0
106.97968	3.1
113.02331	1.4
122.97457	3.0
125.02321	4.2
126.49294	0.6
134.97478	4.0
136.85855	0.6
136.99054	1.4
137.02348	0.7
148.99066	4.6
152.98546	5.0
161.04491	1.7
164.98535	10.7
165.09087	0.6
195.13902	0.7
197.05721	0.6
206.99677	3.6
209.08235	2.9
225.00719	15.2
241.00102	2.3
293.21167	1.1
294.21680	0.8
299.04236	2.9
315.03745	0.9
341.05713	1.1
371.06570	3.1
375.21625	0.9
385.08179	1.8
399.09747	1.9
413.11121	1.1
441.14120	1.1
455.15924	2.2
492.22198	0.7
495.19098	2.1
523.18665	0.8
524.19196	1.3
593.26355	100.0
594.26715	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	593.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19278	0.8
54.41107	0.7
59.01244	1.4
61.09691	0.6
69.64706	5.2
71.01245	0.8
78.95778	83.0
83.04922	0.8
96.96841	17.2
98.19842	1.3
115.83357	0.7
125.02343	1.4
134.98466	0.8
150.97958	1.4
152.99492	69.8
158.58180	0.7
169.01379	0.7
204.48827	0.6
209.11765	2.6
219.21111	0.6
223.00133	2.3
241.01163	35.6
242.01549	0.7
277.21729	61.8
278.22083	5.4
299.16211	0.9
315.04892	13.3
316.05176	0.8
413.20987	7.0
414.21490	0.8
593.27319	100.0
594.27606	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	593.2637
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
51.94918	0.5
57.03333	1.1
58.02191	0.5
59.01253	3.7
61.98692	1.5
63.96108	0.8
69.03338	0.7
71.01254	7.4
73.02823	1.8
74.66143	0.5
78.95763	1.3
78.98470	4.0
79.95113	0.7
79.95611	34.8
80.96393	54.5
81.03319	0.8
83.01269	0.7
84.73701	0.5
85.02832	3.3
86.26656	0.5
87.00759	2.1
88.15304	0.5
88.98692	0.5
94.97966	12.4
94.98561	0.9
95.01229	0.6
96.95888	1.2
97.02834	1.5
98.19754	1.1
101.02326	2.0
102.51999	0.6
106.97953	3.1
113.02306	1.3
121.65762	0.6
122.97482	5.1
125.02345	5.0
127.03909	0.8
129.41502	0.5
134.97481	3.9
136.99014	1.7
137.02307	0.6
148.99057	4.7
152.98541	6.8
155.10576	0.5
164.98549	10.2
165.09120	0.8
182.99596	1.9
206.99631	3.4
209.08173	0.6
225.00703	17.5
226.00967	0.9
241.00198	1.2
243.01831	2.1
293.21078	0.8
299.04510	3.3
371.06439	1.4
385.07889	0.7
399.09644	1.9
413.11575	1.1
427.12732	0.9
441.14182	0.8
455.15869	1.9
481.17719	0.9
495.18964	2.0
523.18713	1.1
593.26355	100.0
594.26740	13.0
599.25665	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.3
59.01249	3.4
69.03316	0.5
70.35908	0.5
71.01236	1.7
71.58112	0.8
73.02804	0.6
75.00751	0.8
79.61531	0.5
79.70934	0.5
83.01234	1.0
85.02811	1.2
87.00759	0.5
89.02281	0.6
91.72960	0.5
93.03338	1.4
97.02810	1.3
109.02833	4.5
111.00776	0.6
113.02318	0.8
119.04932	0.7
121.02843	5.1
122.03644	0.7
123.00777	0.8
123.04391	1.6
124.01637	0.5
125.02337	23.9
126.02660	1.3
133.02834	0.4
135.04408	0.7
136.05115	0.5
137.02335	4.2
139.00276	0.8
139.03908	1.0
145.02821	2.7
147.04413	2.6
149.02362	0.9
151.00282	0.8
151.03896	2.3
152.01054	1.5
153.01846	0.9
154.45018	0.5
158.03648	0.8
159.04384	0.8
161.02397	1.0
161.05991	1.4
162.03154	1.0
163.03929	6.0
164.00993	0.5
165.01880	2.9
167.03439	2.0
169.01334	27.5
170.01598	1.1
173.02341	0.9
173.05945	0.6
174.03148	3.7
175.03917	19.6
176.04631	4.3
177.01875	0.9
177.05492	1.6
179.03424	2.4
180.04198	10.1
181.04723	0.6
187.03934	0.6
188.04689	4.6
189.05495	7.0
190.06285	23.9
191.03522	0.9
191.07062	15.7
192.04222	1.1
192.07422	1.1
193.01392	1.1
193.04993	12.0
194.05779	5.8
203.07059	3.9
205.05099	0.9
205.08641	19.2
206.08894	1.1
207.06543	5.1
208.07350	11.7
209.07767	0.6
211.03940	0.5
221.08138	1.0
222.09010	1.4
223.09720	1.9
227.06929	0.7
229.05161	0.7
241.05025	0.5
245.04556	0.7
245.08147	2.8
255.03033	1.9
271.06097	1.6
284.03320	1.4
285.04123	1.6
289.07150	12.2
290.07446	1.1
305.06662	1.6
314.11624	0.6
327.08957	0.7
341.10422	0.9
344.12610	3.8
356.09079	1.3
359.15005	100.0
360.15375	11.6
371.11420	1.7
389.16010	1.6
441.08258	14.4
442.08612	2.3
593.15723	2.2
593.27197	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	593.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08375	1.5
53.56128	1.4
55.01749	3.3
57.03307	3.8
59.01253	44.3
69.03321	2.9
71.01257	42.9
71.60028	4.1
72.12074	1.6
72.99181	7.7
73.02812	7.5
75.00751	26.3
83.01259	5.5
85.02824	37.2
87.00762	9.9
89.02319	15.2
95.01272	6.7
96.95876	6.8
97.02805	3.0
99.00771	8.8
101.02315	18.8
107.01283	6.2
108.02054	6.4
109.02869	8.3
111.00777	5.9
111.04399	1.9
113.02335	35.6
115.00234	3.1
119.03374	4.2
119.84757	1.7
121.02834	2.0
123.00780	12.9
124.01563	2.0
125.02344	27.4
129.13315	1.9
133.06442	2.2
134.03650	2.0
135.04361	2.4
137.02342	2.4
139.00252	3.9
140.01053	4.9
151.00237	6.4
152.01076	11.1
153.01831	4.6
153.06702	1.7
161.02475	2.4
163.03871	3.2
168.00529	12.5
169.01340	38.4
173.04468	2.1
175.02322	2.0
175.03801	1.8
194.00917	4.4
210.02235	1.7
211.02449	35.5
218.16269	1.7
271.04581	39.2
272.05032	2.6
281.94519	2.1
285.04059	2.1
301.03735	2.3
315.07315	4.0
330.03546	2.1
331.06650	4.3
339.07578	3.0
371.14960	5.0
385.09210	2.7
397.25531	1.7
417.10910	2.5
441.17618	9.4
482.14243	6.8
483.15195	4.3
549.20026	11.7
561.12177	2.3
564.97821	1.7
592.27594	1.9
593.18616	64.7
593.28119	100.0
594.18951	7.8
594.28290	5.8
617.01013	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	593.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91598	1.3
55.01741	1.0
57.03321	3.1
59.01257	19.0
69.55640	7.4
69.56042	2.8
69.80601	1.0
71.01265	14.5
71.72306	1.1
72.00771	1.0
72.99186	4.0
73.02814	2.8
73.93753	1.0
75.00755	11.9
83.01263	3.3
83.04889	1.0
85.02822	19.3
86.03185	1.9
87.00758	3.9
89.02332	4.6
95.01273	2.2
96.95912	3.9
96.96539	1.0
99.00771	5.0
100.01070	1.2
101.02340	5.0
109.02839	3.5
111.00748	1.5
113.02335	14.7
117.03345	1.2
119.04964	2.7
121.02847	4.2
122.03651	1.3
125.02367	5.2
125.68876	1.1
129.01820	1.5
131.03410	1.1
137.02333	2.6
145.02869	1.8
147.04482	2.7
151.00333	1.2
151.03906	1.7
152.01007	1.2
153.01833	3.0
161.04459	1.2
163.03951	8.0
164.04457	1.3
165.09158	6.0
169.01335	2.3
174.03206	2.5
175.02487	1.9
175.03903	17.4
176.04730	2.5
177.05528	2.0
179.03574	1.6
180.04228	8.0
188.04712	4.1
189.05518	7.0
190.06296	16.4
191.07077	13.1
193.05026	10.2
194.05786	4.9
203.07088	2.4
205.08661	16.3
207.06590	6.1
208.07353	11.2
209.08160	20.9
222.08899	1.2
223.09624	1.9
225.30357	1.1
227.03487	2.6
233.08180	4.1
250.88513	1.1
251.09210	1.3
255.03058	3.6
284.03317	4.3
285.04007	7.5
297.07886	1.1
343.21432	2.2
344.12717	3.4
359.15009	100.0
360.15472	6.6
371.13483	15.4
372.13943	1.5
389.16083	1.4
592.26880	13.5
593.15326	3.7
593.27625	43.7
594.28223	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	593.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07081	1.8
57.03324	5.4
59.00951	2.2
59.01254	37.9
71.01254	31.8
71.44398	2.1
72.99184	4.8
73.02813	2.6
75.00748	27.9
83.01263	4.5
85.02829	33.1
87.00763	6.6
89.02325	4.6
95.01267	5.9
99.00731	11.2
101.02338	4.8
104.05494	1.5
109.02833	9.5
113.02336	34.0
115.00245	2.9
117.01778	2.8
119.04939	5.3
125.02387	9.7
129.01822	1.5
134.03639	7.3
137.02333	6.3
147.04390	2.2
149.02426	2.3
150.03131	4.1
151.03917	2.9
153.01831	9.7
157.01408	1.7
161.02348	2.3
161.04512	3.1
163.03903	4.7
165.01816	1.8
165.05496	7.5
169.01318	2.2
175.02411	6.7
175.03770	2.0
178.02654	3.4
181.04948	2.7
193.04953	9.7
229.05167	2.6
284.03152	3.9
285.04016	6.7
289.07138	1.9
359.14963	4.5
377.07510	2.5
389.12473	2.5
457.13690	2.4
507.08704	1.7
549.21887	100.0
550.22113	12.6
593.14923	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	593.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83945	0.5
53.53998	0.5
61.62706	0.6
61.86534	0.5
64.64384	0.6
68.58897	0.5
69.47105	1.5
69.47519	2.9
71.01253	0.8
72.01603	0.5
79.01788	0.9
79.22083	0.5
93.03352	1.2
113.75819	0.5
117.03352	7.0
119.04919	1.4
127.39084	0.5
131.04893	0.8
133.06476	0.5
135.04414	3.1
136.70058	0.5
137.02390	0.7
145.02898	0.7
147.04453	0.7
149.02397	1.0
156.50317	0.5
159.04565	0.8
161.02330	2.4
162.06229	0.5
163.03864	1.5
171.04333	0.6
175.03902	1.9
177.01845	0.7
177.05501	1.6
187.03894	0.8
189.01851	0.9
191.03497	0.9
197.06053	0.8
199.61040	0.5
203.03438	1.3
215.03331	0.6
223.07523	0.5
233.04428	0.6
251.07060	1.1
267.06604	1.3
268.07361	0.9
279.06607	0.7
281.04495	0.5
282.05246	3.0
283.06085	2.8
295.06146	5.6
296.06866	2.5
297.07669	19.2
297.11063	1.0
298.08011	1.9
307.06097	2.3
309.07611	2.3
311.05655	3.3
321.07773	0.5
323.05612	4.2
324.06308	0.8
325.07153	7.8
326.07504	1.0
328.05835	2.7
335.05579	1.7
337.07217	3.1
351.05011	0.9
353.06656	39.8
354.06964	2.9
355.08194	1.1
365.06625	3.8
366.06891	0.7
377.06509	0.7
383.07715	20.5
384.08160	3.0
395.07779	2.2
413.08707	2.4
455.09979	1.0
473.10889	17.1
474.11230	2.3
503.11777	5.6
522.58423	0.5
575.14050	1.5
593.15106	100.0
594.15442	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	593.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	3.2
59.01250	17.7
61.15089	2.4
65.00197	3.1
70.34149	8.4
71.01243	10.5
72.08414	2.2
75.00751	4.3
80.21759	2.3
83.01266	3.2
85.02816	6.0
87.00730	3.3
89.02345	2.5
99.00730	3.2
101.02316	5.7
109.02824	5.0
113.02348	3.8
119.04906	7.4
121.02886	4.2
122.71199	1.9
123.04384	3.8
124.01439	1.9
125.02332	15.8
135.04366	2.9
135.13232	2.2
137.02339	8.4
145.02863	2.5
147.04431	2.2
151.00250	8.3
151.03807	3.4
153.01831	5.4
159.04456	2.2
160.05150	2.5
161.02277	2.9
161.05846	2.7
161.57805	2.3
163.00262	2.8
163.03940	10.6
165.01834	3.1
167.03467	3.4
169.01349	11.4
174.03123	3.4
175.03944	11.1
176.04646	5.9
177.01851	2.3
177.05460	2.3
179.03474	2.5
180.04243	10.9
185.05893	2.2
187.03925	5.3
188.04686	2.9
189.05473	7.2
190.06270	16.2
191.07104	15.6
193.04970	9.3
194.05685	4.8
197.06108	2.7
201.05521	2.5
203.07014	2.6
205.08647	16.2
207.06618	5.9
208.07341	12.2
209.08098	2.2
213.05276	2.2
227.03439	30.0
228.03883	4.7
229.04985	9.7
238.78603	2.4
244.85364	2.1
255.02972	63.3
256.03491	5.9
257.04523	7.6
267.03290	4.5
284.00027	2.6
284.03250	73.1
285.04016	100.0
286.04364	12.3
289.07043	5.0
344.12552	4.4
356.08978	3.6
359.11218	4.1
359.14972	95.2
360.15375	8.5
441.08179	7.6
474.02603	2.4
549.22223	3.3
593.15161	91.5
593.27582	8.3
594.15369	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	593.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.6
63.02277	0.7
64.91446	0.3
65.00190	0.7
68.14986	0.4
69.32999	3.7
75.00342	0.3
75.76113	0.3
83.01254	0.8
91.01770	0.4
93.03349	0.8
107.01247	1.9
108.02073	0.4
109.02811	0.7
117.03361	0.6
125.02325	0.7
132.02081	1.0
135.00746	1.3
140.21239	0.3
151.00267	3.5
153.01840	0.4
159.04355	0.6
163.00261	1.6
164.01004	0.6
167.03427	0.4
169.01331	0.8
171.04443	0.6
174.03119	0.4
178.99701	0.7
183.04462	1.2
185.05977	0.8
187.03984	2.0
187.05536	0.3
188.04613	0.4
189.05550	0.6
197.05986	0.5
199.03937	0.7
200.04776	0.4
201.05513	0.6
201.21783	0.4
211.03906	2.5
213.05501	1.4
227.03444	40.3
228.03806	3.5
229.04993	5.8
230.05255	0.4
239.03511	1.6
240.04163	0.4
241.04993	1.1
255.02972	74.4
256.03500	8.5
257.04495	3.7
267.02872	0.6
283.02444	0.9
284.03256	100.0
285.03970	39.2
286.04385	3.1
327.05157	1.7
341.10782	0.4
359.15009	0.6
456.12982	0.4
593.15100	89.6
594.15485	14.4
608.96045	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1453
Annotation	Cupressuflavone tetramethyl ether
Peak:m/z	Relative Intensity
60.77171	0.3
71.20796	0.5
71.21142	0.5
78.22869	0.3
78.95773	1.9
92.80582	0.3
104.76712	0.2
121.02825	1.0
123.04449	0.4
132.02068	3.7
133.02850	3.9
147.04422	0.4
152.99466	0.5
212.13550	0.5
266.02182	0.7
273.05493	0.4
280.00308	0.5
301.05127	0.8
316.03577	0.4
328.03711	1.1
329.04517	1.1
330.05331	0.6
343.06244	0.5
344.03210	1.1
344.06720	0.6
345.03818	1.1
345.07724	0.9
356.03201	1.3
357.77740	0.3
359.05618	0.8
360.06076	0.5
371.05609	2.9
372.02554	2.8
373.03513	4.5
373.07602	0.6
374.03891	0.5
385.07309	0.5
387.05075	6.7
388.05807	7.6
389.06265	0.6
402.07385	6.0
403.08200	18.9
404.08606	2.4
405.07632	0.4
413.06387	0.5
417.10037	1.6
433.07114	1.1
445.07007	0.5
447.08749	0.4
449.06653	0.7
460.05457	0.4
461.06482	1.7
476.09253	1.5
477.06177	1.2
488.05634	0.5
489.05988	1.0
491.11493	3.1
492.08524	1.1
493.09247	0.4
503.07654	2.2
504.08698	2.6
505.05933	1.3
507.10910	1.7
518.10138	2.2
519.10956	5.8
520.07678	2.5
533.12384	3.4
534.13763	1.5
535.10291	12.1
536.10706	1.8
545.08917	0.7
546.09277	0.5
548.07324	0.8
549.11823	0.9
550.12628	0.9
561.12476	0.5
562.09180	0.5
563.09680	3.0
577.11481	0.6
578.12183	3.3
593.14508	100.0
594.14838	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	593.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	0.6
59.01237	2.9
59.29338	0.6
63.02279	0.9
65.00190	0.8
71.58939	0.8
72.99162	0.8
73.02814	0.7
75.00736	2.0
78.95744	0.5
83.01258	0.7
85.02821	3.2
87.00767	0.7
93.03342	1.2
99.00754	1.1
101.02318	0.8
107.01276	3.2
113.02320	1.9
125.02303	0.8
129.55870	0.6
135.00778	2.1
143.04909	0.9
151.00279	3.1
153.01846	0.6
157.06413	0.7
159.04396	1.4
161.02405	0.5
163.00255	2.9
167.04979	0.9
169.01331	1.0
169.06470	1.5
171.04398	0.8
178.99699	0.5
183.04466	1.5
185.05975	2.7
187.03937	3.3
189.05478	1.2
195.04439	1.2
197.05849	0.7
199.03883	1.0
207.02864	0.6
211.03912	3.1
212.04637	0.7
213.05417	1.5
227.03439	36.9
228.03830	3.0
229.05011	12.1
230.05313	1.2
239.03465	1.7
240.04155	1.0
241.04962	1.8
255.02965	62.6
256.03418	5.8
257.04559	6.9
267.02982	0.9
283.02499	0.9
284.03256	59.4
285.04016	100.0
286.04358	7.2
327.05048	1.4
327.24268	0.5
379.41763	0.7
396.54379	0.5
512.26721	0.6
592.26978	0.7
593.15088	88.5
593.26923	4.1
594.15430	12.5
594.25769	0.7
594.28931	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	1.0
58.23723	0.5
59.01252	5.1
63.02277	0.7
65.00203	0.9
69.26795	5.1
71.00862	0.7
71.01254	3.7
72.99190	1.4
73.02819	0.8
75.00742	2.1
83.01257	1.3
85.02830	4.1
85.05219	0.5
89.02315	1.3
90.75462	0.5
93.03347	1.9
95.01278	0.6
98.19846	1.1
98.20501	0.9
99.00764	1.0
99.50118	0.5
101.02335	1.1
107.01276	3.3
108.84543	0.5
109.02845	1.3
113.02352	2.6
117.03360	4.0
119.04932	4.0
121.02853	0.7
123.00774	0.7
123.09109	0.5
125.02368	3.4
128.12489	0.4
132.02083	0.7
133.02806	0.6
133.93956	0.5
135.00807	1.4
135.04404	1.0
137.02332	1.3
138.44055	0.4
138.66457	0.5
143.04939	1.0
145.02856	12.4
151.00290	5.3
153.01884	0.9
156.05797	0.6
159.04419	1.1
161.02400	0.9
163.00272	3.3
163.03934	2.3
164.01065	1.2
165.01842	0.9
167.03439	0.7
167.04904	0.6
169.01385	2.8
169.02663	0.5
169.06491	0.7
171.04404	1.0
177.01912	0.8
179.03474	0.6
183.04486	1.2
185.02228	0.8
185.06036	3.1
187.03976	2.8
189.05486	1.5
190.99744	0.8
195.06367	0.5
196.07143	0.4
197.06012	1.1
199.03944	1.2
200.04611	0.6
201.05461	0.5
211.03906	3.3
212.04588	0.7
213.01926	0.6
213.05463	2.1
215.03651	0.7
223.03949	0.6
227.03458	39.3
228.03886	3.2
229.05013	9.6
239.03400	1.8
240.04413	0.9
241.05025	2.1
255.02975	66.5
256.03546	9.6
257.04520	7.2
267.03125	1.0
283.02707	0.8
284.03268	66.2
285.04037	100.0
286.04404	6.2
296.23798	0.6
307.08328	5.1
327.04941	0.6
327.65884	0.5
431.10898	0.6
447.09302	4.1
448.09747	0.6
509.12906	1.0
533.29547	0.6
549.29388	1.2
593.13019	64.3
593.26709	3.7
594.13385	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	593.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	0.6
59.01250	6.9
63.02266	1.2
65.00196	1.0
70.07493	0.8
70.07909	1.5
70.22293	0.4
70.88800	0.5
75.00720	0.5
77.63396	0.4
78.95780	1.1
83.01252	4.0
85.02818	0.7
85.90535	0.4
85.92010	0.4
91.01774	0.8
92.55370	0.4
93.03351	2.0
94.50490	0.4
96.95889	1.5
96.96812	0.6
98.19734	0.4
107.01244	3.6
108.02072	0.5
109.02853	1.2
113.02310	0.5
117.03345	3.7
119.04903	4.1
121.02831	0.9
123.00776	0.6
123.04414	1.5
125.02325	2.6
126.65910	0.4
132.02098	1.5
133.40883	0.4
135.00771	2.2
137.02341	0.6
143.04912	0.8
145.02855	13.5
145.06497	0.5
146.04805	0.5
151.00266	4.4
153.01851	1.6
154.04163	0.5
157.02846	0.5
158.03767	0.4
159.04419	1.4
163.00290	3.0
163.03897	2.7
164.01054	0.6
165.01910	0.5
167.03452	3.7
167.04803	0.6
168.04115	0.4
169.01357	3.5
169.06528	0.5
171.04375	1.0
178.99794	0.5
183.04460	1.6
185.06001	2.1
187.03894	3.3
189.05479	1.4
195.04431	0.8
196.05267	0.7
197.06009	1.6
199.03902	1.2
201.05492	0.6
211.03911	3.4
213.05479	2.0
217.05159	0.4
227.03456	43.1
228.03842	3.0
229.04990	10.2
230.05409	0.8
239.03268	2.1
240.04346	0.5
241.05083	1.9
255.02966	71.1
256.03604	9.6
257.04514	6.9
258.04935	0.7
267.02954	1.3
268.03525	0.6
276.87204	0.5
283.02347	0.9
283.06134	0.4
284.03262	72.7
285.04019	100.0
286.04443	6.9
289.07269	0.7
297.79666	0.5
307.08237	5.9
308.08597	0.5
310.34039	0.5
371.14902	3.9
441.07898	0.8
447.09396	3.3
477.24817	0.6
593.13019	76.4
594.13275	11.5
594.22223	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	14.0
60.23608	1.0
69.03305	1.2
71.15341	2.6
78.08009	1.1
78.09456	1.1
81.03337	1.8
83.01268	3.8
93.03342	3.9
95.04933	2.2
97.02833	4.8
107.04915	2.1
109.02838	18.9
121.02833	6.9
123.04431	13.0
125.02337	91.0
126.02673	3.2
133.02859	1.9
134.63083	1.3
135.04399	2.0
137.02348	20.1
139.03923	3.6
146.03674	1.6
149.02336	9.1
151.03935	15.5
159.04457	3.0
160.05197	2.2
161.02309	2.8
161.05957	3.5
162.03120	1.5
163.03870	3.2
164.01071	2.4
165.01863	4.4
167.03441	3.6
173.05992	1.3
175.03928	8.4
175.07648	1.6
177.01851	100.0
178.02267	4.1
179.03413	4.8
185.06082	1.2
187.03909	8.1
188.04663	2.6
191.03229	1.3
199.03972	2.0
203.03329	1.3
203.07028	8.5
205.01361	1.3
205.04977	8.1
211.03934	2.1
212.04691	1.3
217.04921	1.7
221.08244	1.2
225.05771	1.4
227.03499	1.9
229.05066	3.2
243.03029	2.9
245.08174	10.2
255.02945	11.0
256.03702	6.2
257.04465	2.2
261.04010	2.5
271.06113	1.8
273.03989	6.0
281.04486	3.7
281.73383	1.2
283.02539	2.6
285.04044	3.7
289.07187	64.1
290.07529	4.2
303.05038	6.7
305.06702	1.5
315.05176	3.1
339.08624	5.2
381.09830	3.2
407.07724	62.3
408.08316	7.3
425.08807	26.2
426.09158	1.5
441.08566	1.6
449.09085	1.2
467.10281	5.1
593.12958	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.13
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20671	1.5
57.03325	11.7
61.87739	1.5
69.10767	1.5
71.25423	3.0
71.25771	2.5
81.03305	2.2
83.01262	5.7
90.54032	1.3
93.03336	3.6
97.02842	4.5
98.20568	1.6
109.02827	17.3
121.02835	7.7
123.04372	8.9
124.01569	2.1
125.02338	100.0
126.02688	3.8
133.02829	3.1
135.04456	1.9
137.02332	21.7
139.03964	7.5
149.02332	10.4
150.03087	1.9
151.03912	10.5
159.04436	2.0
161.02330	6.7
161.05927	2.6
163.00308	1.9
163.03899	4.5
164.01048	3.4
165.01825	4.9
167.03378	5.7
175.03969	9.1
175.07538	1.9
177.01859	85.8
178.02214	2.0
179.03465	7.4
182.67453	1.7
187.03949	6.3
188.04730	1.7
189.05470	1.8
203.03423	1.9
203.07083	5.0
205.01302	2.4
205.04985	5.2
211.04187	1.8
213.05392	1.6
215.03423	1.9
217.05017	2.0
219.02953	1.9
219.06546	3.1
227.03476	2.2
229.04962	2.9
243.02892	4.6
245.08150	9.0
253.05057	1.9
255.02959	13.1
256.03650	5.9
257.04532	1.9
259.05685	1.6
261.03882	2.8
269.04666	3.1
273.04025	7.2
274.80984	1.5
281.04767	1.9
283.02362	4.4
285.04108	4.6
289.07184	48.4
290.07440	3.9
291.83234	1.6
295.99371	1.6
297.04007	4.0
299.05359	2.3
303.05057	6.2
305.06680	22.1
318.16776	1.6
339.08716	3.1
363.08768	1.6
381.09628	3.1
407.07721	46.7
408.07999	5.6
418.10291	1.6
421.06155	1.9
423.07086	16.3
424.07321	2.1
425.08871	16.5
426.08920	2.5
441.07980	3.4
467.09799	6.9
504.00339	1.6
593.12976	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	593.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	15.9
59.01241	2.0
67.02260	0.8
69.72724	5.8
71.01242	2.6
81.03333	2.4
83.01245	4.5
85.02825	1.1
93.03329	3.8
95.01223	1.4
95.04913	2.2
96.95872	5.3
97.02798	3.0
105.03323	1.4
107.04940	1.5
108.02075	0.9
109.02839	19.9
113.02318	1.3
121.02847	7.9
123.00719	1.2
123.04385	10.5
125.02333	100.0
126.02668	3.4
131.04901	1.2
133.02831	2.9
134.03584	5.4
135.04387	3.7
137.02339	23.8
139.03883	2.9
145.02840	1.1
146.03606	1.6
147.04402	1.0
149.02341	12.6
149.05983	1.2
150.03117	3.3
151.03925	12.2
153.01843	1.5
159.04419	2.6
160.05174	0.9
161.02353	2.2
161.05962	3.8
162.03078	1.3
162.53375	0.9
163.00259	2.1
163.03888	4.3
164.01114	4.5
165.01810	4.5
165.05432	2.3
167.03394	2.9
174.03015	0.9
175.03903	7.6
175.07556	1.0
176.01039	1.2
177.01849	97.4
178.02330	5.6
179.03380	5.4
185.06052	1.3
187.03908	7.0
188.04660	2.6
189.01964	1.3
189.05408	0.9
193.04996	7.8
195.06639	1.7
201.01869	0.9
201.05524	1.1
202.06233	1.6
203.07062	8.0
205.01393	1.3
205.05014	6.8
209.07808	0.9
211.03909	1.4
213.05429	1.5
214.80745	1.0
215.03328	2.1
217.04964	2.3
227.03362	1.6
227.06995	1.5
228.04199	1.1
229.04962	3.7
231.06793	1.0
243.02991	2.8
245.08176	10.1
253.05251	1.2
255.03027	6.5
256.03741	4.2
257.04431	2.2
261.03949	1.1
269.04437	1.0
271.06277	1.1
273.04028	7.9
281.04459	2.7
282.01590	1.5
283.02490	2.0
284.02893	1.5
285.03946	4.6
289.07181	44.9
290.07581	3.5
297.07660	2.1
303.05145	6.8
315.05148	4.1
339.08624	2.2
353.06656	1.4
359.23242	0.9
381.09607	2.1
407.07681	53.1
408.08011	4.0
425.08740	15.8
426.08954	1.6
441.07941	2.2
443.10168	1.0
467.09711	4.3
544.73309	0.9
549.21588	2.6
593.13196	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	593.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53156	0.2
52.40899	0.2
59.01255	0.4
61.36448	0.2
70.78528	0.7
77.03812	0.3
87.09509	0.2
91.01773	0.3
117.52283	0.2
120.02065	0.7
121.02846	100.0
122.03174	3.0
165.01828	5.4
180.05719	0.5
181.05031	0.4
181.06512	2.1
183.04842	0.2
186.84058	0.2
195.19028	0.2
197.06009	1.8
207.04550	0.9
207.08159	0.4
209.04497	55.4
210.04837	2.1
223.03972	0.2
225.05554	1.6
228.67581	0.2
236.84779	0.2
251.07095	0.3
257.09772	0.7
285.09183	0.2
301.08652	0.2
313.07190	1.5
355.50534	0.2
357.06125	1.1
373.10760	0.2
383.07504	1.0
417.09946	1.2
489.23819	0.2
505.11502	2.6
506.11639	0.4
515.87567	0.2
549.10419	5.9
550.11194	0.9
593.03503	0.3
593.13019	7.0
594.13110	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	13.8
61.43333	1.0
64.62732	1.0
65.47599	1.0
69.82093	6.1
73.74503	0.9
75.42281	1.0
77.16295	0.9
78.46035	0.9
81.03318	2.4
83.01257	5.4
83.69611	1.1
85.49730	1.2
86.69151	1.0
90.68333	0.9
93.03347	5.0
94.57368	0.9
95.04889	2.8
97.02840	3.7
105.03334	1.4
107.04863	1.8
109.02834	18.1
117.03271	1.5
121.02843	10.1
122.03624	1.5
123.00718	1.2
123.04408	12.7
124.01540	1.3
125.02334	98.6
126.02664	3.4
127.03840	1.0
131.04907	1.9
133.02821	3.3
134.03665	8.9
135.00740	1.2
135.04460	2.3
137.02344	24.4
138.02744	1.0
139.00246	1.6
139.03889	4.2
145.02829	1.5
147.04457	1.4
149.02324	15.1
149.05951	2.3
150.03169	7.2
151.03911	14.6
152.04218	1.2
159.04416	3.7
161.02351	4.8
161.06000	3.8
162.03085	1.3
163.00252	1.3
163.03903	3.6
164.01045	3.9
165.01819	4.6
165.05516	6.1
167.03404	2.6
174.03049	1.3
175.03929	12.2
177.01849	100.0
178.02379	8.7
179.03400	4.7
185.05890	1.0
187.03961	7.2
188.04646	3.1
189.05481	1.4
193.04987	14.8
195.06514	3.7
203.03403	1.9
203.07028	7.6
205.05017	7.7
211.03951	1.9
213.05516	2.1
215.03392	2.1
217.04961	1.9
219.02884	1.2
221.08177	1.0
227.03412	2.5
227.07156	1.1
228.04286	1.6
229.05011	3.6
230.05672	1.1
231.06706	1.3
242.89177	1.1
243.02977	4.4
245.08107	9.3
248.41612	1.0
255.02965	11.6
256.03638	4.5
257.04413	2.2
261.03970	2.0
269.04538	1.9
273.04108	7.4
281.04535	4.7
283.02429	3.9
285.04132	6.2
289.07181	45.4
290.07486	3.5
295.05963	2.3
297.04221	1.9
297.07675	5.9
297.78363	1.0
303.05130	6.9
305.06650	4.7
315.04886	1.7
325.07205	1.9
339.08600	2.6
341.10342	3.0
353.06622	7.0
381.09714	3.1
383.07657	4.9
407.07724	40.8
408.07907	3.7
423.07211	2.5
425.08701	14.0
426.09015	2.5
441.08356	1.6
467.09644	4.6
473.10724	2.9
593.14709	19.2
594.14789	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	592.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99428	0.3
59.01248	0.6
61.98705	100.0
97.24494	0.3
109.72092	0.2
121.02845	0.4
209.11794	0.4
229.79785	0.3
273.84131	0.3
390.79477	0.3
533.29999	0.3
593.26251	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	31.0
67.66431	1.1
78.89715	1.2
78.95777	20.8
96.96847	1.5
123.37896	1.1
125.02317	2.4
126.93755	1.2
149.57721	1.1
152.99529	5.7
168.04289	4.2
169.01257	1.9
179.14348	1.8
195.13841	13.4
196.14397	1.4
223.13324	11.4
224.06882	1.8
228.13614	1.1
242.08044	7.9
255.06662	2.5
256.13037	1.6
275.20157	5.2
293.21225	100.0
294.21561	9.4
307.22763	1.4
447.21542	2.3
518.28870	58.1
519.29108	7.1
548.35327	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	30.9
69.87226	6.7
69.87637	2.6
71.58541	1.4
76.73744	1.7
78.95776	40.9
78.96215	3.2
98.70588	1.6
124.50996	1.7
125.02325	2.0
152.99521	12.0
164.34998	1.7
168.04237	5.0
195.13812	12.6
223.13423	7.4
224.06898	12.4
224.13695	1.8
242.07990	3.0
266.89487	1.7
275.20218	3.2
293.21243	52.5
294.21500	5.7
447.21646	2.6
516.99652	1.6
518.28839	100.0
519.29248	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	593.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51383	0.7
56.39658	0.8
57.03312	2.6
58.22342	0.7
59.01241	1.7
61.06840	0.7
62.26445	0.7
68.20408	0.7
69.03300	1.6
70.15698	0.7
70.77427	1.5
70.77795	1.8
71.01256	1.3
75.00762	1.2
81.03326	1.3
83.01270	1.5
85.02814	1.7
95.01254	1.6
95.04896	1.4
97.02834	2.8
99.00716	1.3
101.65494	0.8
109.02835	8.4
111.00781	1.4
113.02343	0.9
121.02833	0.9
123.00745	1.5
123.04439	4.5
124.01559	1.2
125.02332	71.6
126.02686	1.8
137.02328	7.2
139.00273	0.8
139.03856	1.2
140.00958	0.8
145.02882	4.2
146.03676	1.6
149.02338	2.8
150.03113	0.9
151.00240	1.2
151.03940	5.2
153.82613	0.8
159.04445	1.9
161.06003	2.3
165.01848	2.4
165.34245	0.7
166.99719	1.7
168.00531	1.4
169.01335	100.0
170.01674	2.8
175.03975	1.1
175.07436	0.9
179.03409	3.2
179.07085	1.0
185.06104	1.3
187.03981	1.8
188.04660	2.0
189.83589	0.7
193.01425	5.2
196.75285	0.7
203.07108	4.7
205.04979	2.8
211.04073	0.8
212.04665	1.0
221.08125	1.4
245.08128	6.4
246.08397	0.9
253.05197	1.1
253.65800	0.9
259.06006	1.0
271.06134	9.7
289.07172	44.2
290.07550	3.2
303.05081	2.1
321.02487	1.1
331.04639	1.9
423.07086	3.2
424.06851	0.8
441.08255	54.8
442.08658	7.3
509.34680	0.8
549.21893	2.4
593.08746	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06083	0.4
53.56646	0.3
54.32513	0.4
57.03315	1.9
57.39066	0.3
59.01260	0.7
65.78923	0.4
69.03312	1.2
69.30906	2.8
69.31312	0.6
74.81111	0.3
79.01766	0.4
81.03316	1.8
83.01266	1.3
85.87564	0.4
90.99691	0.3
93.03349	0.4
95.01266	0.6
95.03677	0.3
95.04892	0.9
97.02827	3.0
107.01283	0.7
108.02065	0.4
109.02834	7.9
111.00775	0.6
121.02812	1.6
123.00790	1.3
123.04411	4.2
124.01538	0.9
125.02335	61.8
126.02654	1.9
135.04442	0.7
137.02330	7.7
139.00296	0.6
139.03896	1.3
140.01079	0.9
145.02878	2.6
146.03618	0.6
149.02348	2.3
150.03090	0.5
151.00291	0.4
151.03902	4.3
159.04422	1.4
160.05153	0.3
161.02342	0.7
161.06021	2.0
162.03117	0.6
164.01045	1.2
165.01872	1.9
166.99747	1.6
167.03383	0.5
168.00568	1.1
169.01335	100.0
170.01656	3.3
175.03880	1.0
179.03387	2.4
183.04344	0.6
185.05957	0.8
187.03894	1.8
187.30687	0.4
188.04689	1.5
193.01347	4.4
201.05397	0.5
202.06253	0.9
203.07092	5.0
205.01344	0.5
205.05008	2.8
206.05302	0.3
214.37166	0.3
221.08133	1.1
227.07153	0.9
229.05048	0.3
231.02837	0.5
245.08154	7.7
246.08601	0.6
253.05055	1.6
259.06061	0.7
271.06100	5.4
289.07169	40.2
290.07571	2.8
303.05011	2.2
321.02518	0.6
325.10944	0.3
331.04651	2.1
331.08099	0.3
441.08258	43.4
442.08588	4.9
493.06635	0.6
570.15643	0.3
593.09113	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	591.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88132	2.0
57.03316	8.8
57.70679	2.4
59.01254	100.0
61.19590	2.4
61.98685	5.4
70.73929	6.9
71.01263	32.7
72.99202	4.9
73.02826	7.4
75.00750	19.3
78.95779	19.1
82.14034	2.2
83.01283	4.8
85.02824	25.3
86.19143	2.4
87.00763	20.4
88.00293	4.7
88.03930	3.0
89.02339	8.6
95.01266	4.3
96.95918	3.7
97.02814	3.3
99.00771	8.5
101.02328	12.6
111.00726	3.0
113.02346	23.4
115.00275	3.3
119.03397	2.4
119.04935	2.8
125.02332	15.3
137.02350	4.7
151.03893	2.3
152.99507	11.0
159.04411	2.6
161.02431	3.7
161.04460	4.7
169.01405	2.7
171.10164	4.4
177.01874	3.2
180.62737	2.3
195.10750	2.5
209.11778	20.8
227.12788	4.6
301.03665	4.6
363.12015	5.5
487.32877	26.6
488.33035	3.9
505.33600	11.4
547.24048	23.3
548.24402	4.5
591.26886	8.5
592.26465	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	592.292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29759	0.3
57.99199	0.2
62.91730	0.2
69.32400	2.4
78.95775	5.5
79.95603	2.2
81.59605	0.2
96.95889	100.0
96.96783	6.1
97.95829	0.5
125.02323	0.3
135.68500	0.2
152.99492	0.3
186.98332	0.3
204.55945	0.3
209.04463	0.3
255.23351	0.4
441.51648	0.3
592.28851	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64571	0.2
58.97967	0.2
59.01242	0.5
61.98705	100.0
63.55243	0.2
71.01270	0.4
71.22810	0.3
71.23151	0.4
78.95782	0.3
80.96409	0.7
83.01287	0.2
98.73647	0.2
113.02317	0.2
125.02364	0.4
151.19209	0.2
172.97900	0.2
181.11174	0.2
192.08502	0.2
209.11800	0.5
279.35776	0.2
318.14667	0.2
592.25421	0.4
593.27222	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02313	0.8
53.18230	0.7
53.86489	0.7
55.01755	1.8
57.03319	5.1
59.01251	27.7
68.99672	1.3
71.01254	34.1
72.99187	5.9
73.02828	5.3
75.00746	28.3
78.50704	0.7
83.01244	2.9
84.02025	1.1
85.02825	33.0
87.00755	8.9
89.02323	8.0
93.03331	1.4
94.06029	0.7
95.01270	3.6
96.95895	1.0
97.02793	2.1
98.52853	0.7
99.00763	8.5
101.02325	9.4
103.00247	1.7
108.02065	0.8
109.02810	1.8
111.00793	1.2
113.02331	27.7
114.02639	0.8
115.00238	3.0
117.01857	1.4
119.03357	2.0
121.02828	2.1
123.04389	0.9
125.02328	3.7
126.25450	0.7
129.01778	1.0
131.03380	2.6
134.03587	1.6
137.02350	2.0
141.43663	0.7
151.00240	1.5
151.03856	1.4
157.01247	1.5
158.96706	0.7
161.02379	1.1
161.04433	1.8
166.02658	0.7
169.01344	1.0
173.04466	2.7
175.02397	3.8
178.99765	0.8
181.04951	0.8
191.05534	1.1
193.03433	1.1
193.05080	1.3
237.92955	0.7
249.06044	1.0
249.11115	1.2
285.04117	0.9
323.52042	0.8
387.14798	1.1
397.09033	1.2
406.95831	0.9
415.09778	1.5
429.17365	1.0
573.25494	1.7
591.26544	100.0
592.27020	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	591.2613
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
69.58150	3.3
69.58572	3.8
126.49168	1.0
127.34876	0.9
142.61099	1.0
153.29907	1.0
235.35173	0.9
250.74284	0.9
302.47269	0.9
342.76794	1.0
443.22345	3.6
444.19431	1.1
445.19907	2.2
456.22910	1.2
458.21075	1.3
459.21732	2.0
471.26031	2.2
472.23346	1.7
473.23264	2.4
482.21146	2.4
485.19913	2.4
487.24869	4.1
497.23645	5.3
498.24072	2.0
499.21262	4.3
500.22092	13.3
501.22638	2.3
515.24518	100.0
516.24878	20.4
559.23248	4.0
560.23297	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08669	0.3
55.01748	1.4
57.03326	4.4
58.00457	0.5
59.01252	27.2
68.99689	0.6
69.03322	1.1
69.13493	0.3
69.50650	1.0
69.51081	1.9
71.01257	25.4
72.01599	0.4
72.99184	5.1
73.02443	0.5
73.02821	5.7
74.47758	0.3
75.00748	26.9
76.01094	0.4
79.35374	0.3
81.03323	0.5
83.01256	3.5
84.02087	0.3
85.02824	28.5
86.03167	0.4
87.00756	7.6
89.02323	6.0
95.01260	3.7
97.02816	1.1
99.00755	8.7
101.02327	5.0
103.00226	0.9
107.04894	0.7
109.02816	0.5
111.00762	1.1
112.01539	0.5
113.02333	27.7
114.02682	0.7
115.00262	2.5
116.01089	0.4
117.01837	1.9
119.03391	1.3
119.04923	3.5
125.02363	1.9
129.01825	0.8
131.03391	2.0
135.04399	0.3
137.02348	0.5
145.02904	1.7
149.04401	0.5
151.00262	0.5
157.01317	1.2
161.04459	0.7
163.03915	3.8
170.95280	0.3
173.04482	3.7
175.02408	3.7
175.03796	0.5
177.01669	0.4
183.77486	0.3
191.05566	1.1
215.05693	0.6
224.78737	0.3
231.04866	0.3
244.27910	0.3
259.97351	0.3
301.03729	0.6
335.06522	0.4
390.61996	0.3
407.83209	0.3
445.13635	0.7
473.23950	0.4
531.24451	0.4
547.27142	0.3
573.25684	0.4
591.26569	100.0
592.17383	0.7
592.26923	13.5
593.79901	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39427	0.4
55.54596	0.4
56.41093	0.4
56.93902	0.4
57.03311	0.8
59.01253	2.3
61.98698	1.2
65.00183	1.3
71.01248	0.7
75.00762	2.0
78.95783	2.2
81.03333	7.3
83.01228	1.0
91.48889	0.4
97.02790	0.5
99.08009	2.3
100.04197	0.4
101.02344	0.4
101.05956	1.1
105.96572	0.5
107.01271	0.5
107.04906	0.4
109.02839	0.7
121.02835	0.5
122.31352	0.4
123.08041	3.8
124.01499	0.8
125.02350	5.9
125.05963	7.4
136.05202	1.3
139.03909	0.5
141.09084	0.9
143.88857	0.5
147.08037	0.6
149.02338	1.6
151.00298	1.1
152.01024	1.8
152.99503	1.1
165.09123	38.7
166.09467	2.5
169.01300	1.1
175.00327	0.8
179.06984	0.8
191.07080	1.7
193.08595	1.0
205.08626	1.2
207.10127	0.6
208.07433	0.5
209.08134	100.0
210.08443	5.0
211.13309	0.8
215.07079	0.5
221.08191	1.0
223.09737	4.7
233.08148	20.1
233.98994	0.4
234.08701	0.7
251.09218	9.3
252.09398	0.7
263.09210	1.9
293.21152	1.5
322.27139	0.4
383.11273	0.5
411.88522	0.5
518.28851	1.5
540.19556	0.6
591.20380	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	591.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	10.6
58.00473	4.2
59.01257	81.3
66.52405	3.7
71.01257	58.3
71.59875	7.5
72.99178	10.1
73.02817	5.3
74.36265	3.4
75.00761	22.7
83.01279	11.2
85.02828	31.4
87.00767	12.5
89.02316	39.3
95.01273	9.2
95.04934	5.1
96.10861	3.8
96.95913	5.6
99.00754	10.3
99.04391	9.3
101.02339	24.3
109.02880	9.8
111.00735	4.0
113.02319	44.2
113.46469	4.9
119.03424	18.7
119.04995	5.0
123.04359	7.1
125.02350	47.3
126.02670	4.8
131.03398	6.4
137.02356	13.8
147.00697	4.9
147.07497	3.7
149.02391	6.0
151.00366	5.5
151.03894	7.5
159.08081	5.1
161.02385	9.2
161.04544	8.5
161.09613	4.6
161.13310	21.6
163.00229	8.3
164.01039	5.1
165.01906	7.2
165.05441	4.7
169.01320	10.9
175.00244	8.4
177.01813	14.8
179.03484	5.5
179.05560	18.5
185.13251	5.0
187.11217	25.1
191.03438	4.9
205.12279	47.1
215.03415	4.6
229.12173	5.1
231.10275	4.2
243.02890	4.5
245.08188	5.3
249.11313	100.0
250.11717	5.5
285.04092	5.4
289.07254	14.7
291.12396	9.6
297.03857	5.2
301.03564	30.7
327.05038	7.2
351.14462	5.5
407.07483	6.2
411.16531	28.9
429.17673	82.5
430.18079	8.7
447.07104	4.9
453.07907	6.7
465.00821	4.6
465.08292	10.6
555.08954	5.1
591.12262	7.6
591.26001	58.4
592.26343	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	591.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	6.8
58.00466	3.2
59.01253	100.0
70.89365	2.1
71.01257	71.0
71.60477	3.9
72.99183	10.3
73.02821	4.0
75.00739	26.9
83.01275	7.9
85.02827	39.1
87.00758	10.0
89.02318	43.8
95.01273	6.0
99.00742	6.1
99.04410	9.0
101.02332	30.3
111.04385	4.5
113.02338	48.6
113.03138	1.8
114.02663	3.0
119.03421	16.6
125.02336	7.5
129.37201	2.2
131.03398	2.9
143.03377	4.2
161.02364	3.1
161.04482	5.5
161.13277	17.8
163.03871	2.5
166.45183	2.6
179.05588	14.7
187.11215	31.7
188.11613	4.1
205.12300	50.7
208.83495	2.2
229.12276	9.8
231.10193	3.1
247.13306	4.7
249.11313	97.9
250.11652	4.8
276.80777	2.9
291.12378	6.1
315.49957	2.1
342.37738	2.7
385.18610	3.8
397.09134	4.2
411.16721	20.4
415.09854	2.9
429.17673	83.6
430.18103	6.3
531.20941	2.5
590.25366	5.0
591.26172	74.9
592.26581	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	591.1144
Annotation	CHEBI:65854
Peak:m/z	Relative Intensity
50.31799	2.1
52.28285	1.8
53.83215	2.0
57.03309	7.7
58.89983	2.0
59.01254	2.8
69.56501	13.2
71.01259	2.3
73.65515	1.8
79.14908	1.9
83.01255	3.0
85.99339	2.0
95.01286	1.8
96.00804	1.6
97.02831	2.2
97.97711	1.6
103.26598	1.8
109.02824	14.7
119.01182	2.5
121.02858	14.4
122.03545	2.3
123.04435	9.5
125.02353	51.3
133.02846	2.4
135.00735	4.2
137.01395	2.7
137.02344	33.4
145.02846	2.4
147.00798	16.6
149.02396	10.8
150.03160	2.4
151.03889	8.5
159.04427	2.1
161.02348	12.7
161.05988	3.0
162.02844	1.7
163.00290	38.5
163.03876	2.8
164.00980	7.9
165.01842	14.1
167.03445	2.0
175.00301	35.3
175.03906	5.9
176.01001	8.4
177.01859	30.3
177.05426	2.0
179.03313	2.3
187.03973	9.7
188.04559	1.8
189.01836	4.3
190.02626	4.6
191.03427	26.7
199.03839	3.3
200.04504	2.1
201.05466	2.9
203.03426	3.2
203.07097	5.6
205.01297	2.6
205.04994	6.9
209.04480	10.7
211.03973	4.0
213.02013	3.4
213.05496	3.9
214.02632	2.5
215.03456	15.6
217.01332	4.2
217.04919	2.5
218.01997	1.9
227.03430	5.3
229.04985	3.9
231.02986	2.8
233.04483	7.4
239.03413	2.7
243.02937	6.3
245.08197	6.5
255.02977	17.4
256.03577	4.1
256.75674	2.1
257.04535	13.6
265.04840	2.4
269.04565	5.2
271.06067	2.1
273.03918	6.8
281.04544	4.6
283.02432	6.2
285.03986	6.8
287.05643	6.7
289.07153	36.8
290.07489	3.1
297.04041	4.6
299.05673	3.6
300.02765	7.2
301.03531	100.0
302.03766	11.0
313.03528	12.5
313.06708	2.6
323.05557	8.1
327.05093	20.1
403.04575	4.4
404.05307	2.4
407.03598	2.3
407.07889	21.2
408.08054	2.4
427.06580	5.2
435.07141	3.5
439.06790	27.5
440.06970	4.3
447.07178	11.1
452.07358	13.3
453.08264	14.6
465.08151	37.7
466.08316	5.3
487.10098	3.1
529.11169	3.0
555.09454	16.1
555.16870	3.0
556.09668	3.0
573.10126	4.3
591.11292	18.6
591.26361	2.3
592.11414	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26234	0.7
55.01756	2.2
57.03323	2.0
58.00476	4.8
59.01254	100.0
60.01606	0.9
70.02860	1.3
71.01255	60.8
72.01589	0.7
72.99180	5.9
73.02820	1.4
81.03336	0.9
83.01278	2.5
83.04912	2.1
85.02831	10.4
85.06480	2.0
87.00777	2.9
88.03946	2.2
88.30173	0.7
89.02319	72.0
90.02668	0.8
93.02721	0.9
95.01254	4.6
97.02869	0.7
98.02372	0.8
99.00827	0.8
101.02327	42.3
108.08089	4.3
109.06503	0.8
111.36389	0.7
113.02336	23.4
114.02686	0.7
115.07519	0.9
119.03397	36.7
125.02357	1.1
126.09154	6.3
131.03415	3.1
138.09142	2.1
143.03392	6.5
149.04472	3.1
154.08688	0.6
156.10234	2.6
161.04466	5.1
166.08696	1.6
168.97609	0.7
179.05539	12.5
184.09766	1.7
195.06575	1.2
197.54340	0.6
223.20708	0.8
225.22186	13.1
226.22482	0.9
229.86354	0.7
248.12227	0.7
253.21754	2.7
270.24463	1.2
271.22824	6.2
296.25861	3.6
312.25549	1.4
318.61966	0.7
324.25400	1.7
359.31046	0.8
380.31870	1.6
382.33496	0.8
392.10971	0.7
392.31934	4.9
410.32773	45.2
411.33041	5.2
428.33844	20.0
429.34058	1.6
590.39105	43.0
591.39423	7.4
599.88641	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.5
59.01252	9.7
60.01547	1.1
71.01254	30.4
73.02824	1.5
75.00732	3.9
80.97282	1.1
85.02814	4.4
87.00697	2.0
89.02280	1.9
93.03344	1.2
98.20582	2.0
99.00769	3.2
100.24347	1.1
101.02346	2.6
107.81287	1.3
113.02315	5.2
114.01823	5.1
114.99472	1.9
115.00256	36.1
117.01796	1.2
121.02850	1.2
125.02336	10.0
134.03604	1.4
137.02394	2.6
147.04320	1.8
149.02267	1.4
150.01851	1.4
151.00273	2.0
151.03877	1.4
160.01500	1.8
161.02377	2.8
163.00243	1.3
163.03824	2.8
165.01840	1.1
169.01331	3.2
175.02554	2.4
177.01826	2.9
190.04985	3.4
192.06589	2.4
204.06448	1.3
207.02859	1.6
211.02374	2.8
225.07678	1.3
227.03435	2.1
229.78883	1.3
233.06828	1.4
237.05696	1.9
238.06290	1.9
253.05055	1.8
255.02982	3.1
257.04465	1.3
267.03000	1.9
267.06384	1.1
271.04581	1.8
272.05258	1.8
276.08835	6.0
281.04465	4.1
281.07239	2.3
282.05118	1.3
283.05859	1.6
284.03198	3.6
285.04111	11.1
287.05435	1.6
291.06674	1.3
293.06949	2.4
294.07773	1.2
296.06738	7.3
296.09680	2.2
297.07272	4.9
298.08282	2.1
307.09229	1.5
309.07434	4.2
311.09174	14.3
312.10049	6.3
313.10748	7.4
317.01114	3.0
319.10513	5.2
321.06329	4.4
322.07071	4.3
323.09717	2.1
324.05087	3.4
324.08948	2.6
325.05905	2.4
325.10535	2.3
326.11618	15.1
327.12369	10.1
335.07809	2.4
336.08878	7.3
337.05829	1.7
337.09598	3.2
339.07443	5.6
339.11633	2.6
340.08316	9.8
340.12097	2.1
350.10373	1.5
351.10901	3.4
352.08148	12.3
352.11847	2.0
354.09738	9.2
354.13556	2.5
355.10580	12.6
356.10764	1.8
364.11661	1.4
367.10620	7.6
368.11060	1.3
369.12006	5.4
370.13022	10.8
371.11288	2.3
382.12970	9.3
383.11703	4.5
397.15222	2.0
398.15881	2.0
399.14563	1.7
401.15994	8.8
426.11884	3.8
438.11584	6.4
439.12201	3.6
441.14282	4.0
442.15158	9.1
444.16483	2.5
445.15015	4.8
447.09216	3.9
453.14096	1.9
454.14963	12.6
455.15424	1.7
456.27002	1.2
475.16098	29.4
476.16202	5.2
498.17456	2.7
516.18756	6.9
517.19177	1.5
528.18610	6.7
529.18341	1.8
546.19934	22.2
547.20203	3.0
589.25238	1.5
590.18573	100.0
591.18890	15.8
591.26630	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	589.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	91.2
60.26101	10.5
66.99089	10.9
71.01244	41.0
71.57899	19.3
78.95774	21.8
85.02818	14.5
89.02324	17.4
96.95905	13.0
101.02303	15.8
102.95823	11.0
131.33049	10.7
161.41402	10.5
341.26904	13.9
412.27136	12.7
438.87146	13.0
545.33136	100.0
589.32629	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	13.1
71.01258	2.3
71.58752	3.1
78.95813	1.7
89.02342	1.7
98.96509	1.6
102.61971	1.6
106.20054	1.8
113.02346	2.1
223.13364	8.9
230.21143	1.6
253.09299	13.4
293.24866	100.0
294.25113	9.2
426.58875	1.6
614.59625	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	590.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70378	5.9
57.03321	5.8
59.01256	50.5
60.84554	6.2
63.02273	7.3
65.00197	14.5
65.99726	9.0
71.01257	35.0
71.59948	9.2
72.99168	15.1
73.02831	13.8
74.02309	6.6
74.03178	6.7
75.00735	22.0
83.01257	13.5
85.02840	31.9
87.00755	6.2
89.02354	9.7
93.03324	18.3
99.00751	15.5
100.48085	6.2
101.02335	13.9
107.01259	24.4
107.26369	5.1
109.02848	12.6
111.00750	9.3
113.02345	22.0
121.02816	8.0
125.02316	26.8
132.02066	10.6
132.40649	6.3
133.02901	10.2
134.02324	15.3
137.02364	41.6
149.02364	10.9
149.04405	10.1
151.00276	60.2
161.02338	11.7
162.01833	25.2
163.00247	26.4
164.01018	9.3
164.03494	41.3
169.01303	11.2
171.02216	6.8
171.04425	7.7
173.05934	6.9
176.01105	8.7
176.03357	7.4
177.01840	76.0
178.02213	6.9
178.94160	6.9
178.99820	38.7
180.00140	18.2
186.01878	16.7
189.05479	8.2
190.01340	19.9
191.01965	7.0
193.01337	26.1
193.03357	8.7
194.01678	12.7
202.99931	6.2
203.02049	14.5
204.02982	75.0
213.05495	7.6
217.04939	8.8
219.06508	7.7
227.03444	9.4
229.04968	11.4
234.08424	8.0
255.02931	26.3
266.04230	7.5
268.03745	10.0
269.04538	15.5
270.04526	8.5
279.02994	19.6
283.02545	12.7
284.03137	8.3
285.04056	14.5
294.04218	6.6
296.03189	8.8
297.04123	29.9
300.02628	13.7
301.03458	19.5
305.03015	8.6
306.04095	35.3
317.02548	6.3
323.04300	44.0
324.05099	100.0
341.05612	37.7
342.06046	27.0
381.08231	14.8
384.15665	7.9
390.53967	7.8
395.07425	10.2
396.08005	28.4
413.08981	15.1
414.09204	56.5
415.09387	7.4
426.10245	52.8
452.08398	7.7
479.11560	7.6
504.11282	8.3
505.10275	7.9
519.11310	7.7
528.11218	21.2
529.11523	8.0
546.12585	85.7
547.12561	8.4
591.26300	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18813	0.4
59.01259	0.9
68.57158	0.4
68.57548	0.4
72.99184	1.9
75.00748	100.0
76.01060	0.7
78.95763	1.0
98.25116	0.4
102.59343	0.4
104.36165	0.4
108.11359	0.4
128.64651	0.4
131.82608	0.4
152.99519	1.0
165.11063	0.5
203.73058	0.4
277.21854	0.8
278.22052	0.6
279.23306	0.5
399.01620	0.4
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
59.01247	0.4
71.37901	0.6
72.99187	2.3
75.00749	100.0
76.01096	1.1
78.95773	0.4
81.96712	0.3
105.02057	0.3
153.86716	0.3
158.31837	0.3
160.99283	0.3
253.35988	0.3
277.21750	0.7
562.32513	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.7
59.01247	0.8
62.72342	0.3
65.00198	0.9
71.01256	0.4
74.96353	0.2
78.95797	0.3
81.03334	5.4
82.39728	0.3
83.01255	2.9
93.03355	0.7
95.01301	0.4
95.04910	0.9
97.02847	0.5
102.70233	0.2
107.01298	0.5
121.02840	0.6
123.04414	35.0
124.04749	1.1
125.02340	4.3
131.01297	0.4
135.04398	0.8
137.02336	0.9
139.03897	0.6
140.20616	0.3
141.70972	0.3
149.02321	1.2
151.00281	1.3
151.03918	0.7
161.35152	0.3
163.03920	1.2
166.02594	0.6
167.03413	100.0
168.03760	3.8
175.00331	1.3
179.03412	0.9
181.05034	2.4
191.03432	19.0
192.03748	1.1
193.04997	0.5
209.04512	8.5
210.04788	0.4
221.04565	2.2
233.04462	0.6
267.02606	0.3
360.53439	0.3
382.21307	0.3
589.29956	2.5
590.30627	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	3.5
57.03339	4.7
59.01251	100.0
65.73014	2.8
71.01250	33.5
71.57433	2.6
72.99167	4.6
73.02806	14.0
75.00743	5.1
83.01265	6.5
85.02823	18.9
87.00770	4.9
89.02321	29.9
96.95882	3.1
99.00779	16.7
101.02317	19.5
113.02336	20.3
118.34979	2.3
119.03387	9.3
121.02757	3.2
125.02322	16.2
131.03410	4.3
149.04422	5.8
150.03262	2.9
151.00331	2.5
161.04425	5.4
163.94223	2.7
167.03374	6.3
169.01270	6.8
191.05527	8.5
245.25484	3.2
371.20532	8.7
372.20825	3.1
413.21744	8.0
503.24893	27.4
504.25027	4.7
545.25995	77.8
546.26453	14.6
589.14935	6.4
589.25537	14.1
590.24603	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	589.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25508	3.3
52.05089	3.4
57.03318	5.8
59.01251	97.8
61.21228	3.9
69.92323	20.9
71.01245	36.2
73.02825	20.8
78.95738	4.4
83.01273	5.7
83.88117	3.4
85.02819	16.5
85.98599	3.7
87.00715	4.0
89.02307	15.9
96.84394	3.3
96.95887	13.7
99.00769	13.9
101.02339	25.9
106.49571	3.4
113.02325	12.9
125.02348	11.5
149.82715	3.6
156.66151	3.6
159.02884	3.8
161.04430	6.5
167.03448	3.7
169.01302	6.0
191.05420	3.8
196.57738	3.8
206.93523	4.4
209.15410	10.2
281.13364	4.4
296.37552	4.8
353.19681	10.8
371.20688	14.5
413.21747	4.5
477.79520	4.2
503.24866	31.6
545.26019	100.0
546.26373	13.3
589.24951	10.0
589.76843	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	589.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.7
57.03320	5.4
58.00472	0.7
59.01252	29.5
60.01580	0.4
61.39335	0.4
62.51594	0.3
63.02248	0.4
65.00195	0.7
67.01765	0.8
68.99684	1.2
69.03327	2.1
71.01257	33.5
71.59759	0.5
72.99183	7.3
73.02821	8.4
75.00749	36.2
81.03342	0.8
83.01258	6.4
83.04890	0.4
84.02056	0.5
85.02828	33.6
86.03158	0.6
87.00761	10.5
89.02320	4.4
90.08706	0.4
93.03338	0.7
95.01270	4.0
96.95889	0.6
97.02831	2.7
99.00762	14.0
101.02322	7.9
103.00240	1.4
106.78169	0.4
107.01270	1.3
109.02843	1.5
111.00748	1.4
112.01550	1.0
113.02336	33.8
114.02686	1.2
115.00262	5.2
116.01051	0.4
117.01837	2.4
118.08638	0.4
119.03418	0.3
121.32507	0.3
123.00772	0.6
123.04457	0.9
124.01540	0.4
125.02335	7.0
129.01817	1.2
131.03401	4.1
135.04445	0.6
137.02364	2.2
141.01811	0.4
143.03384	0.5
145.02824	0.4
147.04375	0.7
147.91408	0.3
149.02313	1.6
149.04445	0.6
151.00287	3.6
153.01782	0.4
157.01317	2.7
159.04474	0.5
161.02345	1.8
161.04462	0.9
163.00320	2.7
164.01091	2.7
165.01796	0.7
166.02716	0.4
167.03403	0.8
169.01366	2.3
170.21173	0.4
173.04486	8.1
173.05957	0.7
175.00256	0.9
175.02397	4.8
175.03894	0.9
177.01822	1.7
178.99794	3.6
179.03316	0.5
182.02133	0.6
187.07521	0.5
189.01866	0.6
189.05476	0.9
190.02725	0.4
191.03452	0.7
191.05531	2.2
191.07104	0.6
193.01340	5.6
193.03450	3.0
194.05864	0.4
197.04480	1.3
199.03978	0.6
201.01849	0.4
201.05504	0.6
203.05528	0.4
209.15471	0.8
211.04016	0.6
214.02672	0.5
215.03543	0.8
215.05537	1.0
215.07274	0.8
217.05049	1.4
219.06595	1.5
227.03423	0.8
229.01346	0.5
235.04456	1.3
241.05031	0.7
243.02937	1.3
245.04672	0.4
255.03062	0.4
257.04596	0.8
258.04761	0.4
260.06769	0.4
267.02780	0.5
267.07150	0.5
271.02502	1.4
273.04227	0.4
276.08752	0.5
281.04572	0.6
285.04034	1.3
287.02072	0.8
287.05643	1.2
298.08673	0.6
299.01968	1.1
300.02692	3.1
301.03516	4.3
311.09186	0.7
313.10483	0.5
315.01620	0.4
316.02161	3.1
324.05255	0.5
326.11554	0.9
339.07672	0.6
347.07874	0.5
348.75375	0.4
352.08508	0.7
354.09756	1.0
369.12189	0.6
382.13016	1.0
395.07687	2.8
401.16534	0.4
405.06345	0.5
413.08789	10.7
414.09073	1.4
426.12128	0.6
441.14417	0.6
442.15253	0.5
444.16956	0.5
460.16241	0.6
463.06815	0.7
475.15967	1.1
485.24112	0.5
492.05444	0.6
528.18518	0.5
529.22742	2.4
530.23224	0.4
546.20203	0.7
547.24170	2.4
548.24414	0.6
553.32043	0.4
571.08594	0.7
571.23651	0.8
589.25024	100.0
590.18365	5.4
590.25488	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	589.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26737	0.8
55.01734	2.0
57.03329	5.4
57.04435	0.9
59.01254	30.5
65.00189	1.0
66.30435	0.9
68.99697	2.1
69.03307	1.6
71.01252	30.0
71.11199	1.4
71.11517	1.0
72.99188	7.9
73.02817	7.6
74.92780	0.8
75.00748	30.5
83.01251	4.6
85.02824	28.5
87.00755	6.2
89.02327	4.4
95.01266	4.3
96.95895	1.0
97.02852	2.1
99.00767	11.6
101.02331	6.5
103.00259	2.0
107.01249	1.6
109.02850	1.5
111.00723	1.4
113.02334	30.8
115.00269	7.0
117.01786	1.6
122.08437	0.9
123.04395	1.5
125.02332	9.0
129.01854	1.4
131.03381	2.3
135.06250	1.0
137.02333	2.1
139.00186	1.1
147.00784	1.1
147.04381	1.5
149.02390	1.6
151.00279	3.7
157.01379	3.0
161.02312	2.0
163.00272	3.6
164.01045	3.8
169.01314	2.8
173.04434	5.4
175.00372	1.3
175.02406	4.1
177.01895	1.9
178.99821	4.3
189.01765	1.3
191.05629	0.9
193.01349	6.5
193.03284	2.1
197.04449	1.1
209.15428	1.5
217.05055	1.6
219.06592	2.2
227.03358	1.0
236.08670	1.0
238.25357	0.9
243.02950	2.0
255.02782	1.4
257.04459	1.3
281.04572	1.2
285.04105	1.5
286.04636	1.0
287.01898	1.5
287.05542	1.3
300.02698	4.0
301.03354	5.3
311.09241	1.7
313.03336	1.3
316.02283	5.1
324.05618	1.1
339.07642	2.0
354.09818	2.3
368.40671	0.9
382.12994	1.2
394.12830	0.9
395.07428	2.4
403.76816	0.9
413.08798	14.9
414.09106	2.3
460.16107	2.1
463.06805	1.5
529.23145	4.2
546.19330	1.1
547.23938	4.0
589.25024	100.0
590.16858	11.1
590.26697	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	589.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.7
57.03318	5.2
58.00444	0.5
59.01249	31.3
69.03287	0.6
70.06272	1.1
70.06687	2.0
71.01251	25.3
71.41862	0.5
71.79216	0.7
72.99177	5.4
73.02823	3.7
75.00745	28.4
76.01099	0.6
76.80914	0.8
83.01247	2.6
84.02016	0.6
85.02822	30.9
87.00746	8.0
89.02338	3.4
92.60947	0.5
95.01262	4.3
95.50317	0.6
97.02808	1.0
99.00753	10.6
101.02331	5.2
111.00774	0.8
112.01528	0.8
113.02326	32.8
114.02710	0.7
115.00269	3.3
117.01785	1.7
125.02325	1.5
129.01843	1.0
137.09612	0.9
157.01285	1.3
161.04469	1.3
175.02422	3.6
208.79089	0.6
209.15332	2.5
319.04773	0.6
371.20755	2.7
471.22244	0.7
485.23148	1.6
529.22626	1.0
544.16772	0.7
571.24353	0.9
589.24994	100.0
590.25354	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	589.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91334	0.9
57.03329	5.6
58.00483	1.4
59.01254	31.6
67.01772	1.2
68.99686	2.5
69.03339	1.6
71.01260	30.9
72.99173	8.3
73.02824	3.1
75.00746	24.0
81.03330	1.4
83.01257	3.6
83.04906	1.2
85.02827	36.7
87.00758	11.8
88.03905	2.6
89.02319	8.2
89.03852	1.1
93.03347	2.7
95.01263	7.9
96.95920	1.6
99.00761	16.5
101.02336	3.7
103.00236	4.7
109.02839	1.7
111.00769	2.1
113.02337	42.4
115.00265	3.9
117.01834	4.1
117.03344	11.7
119.03448	1.9
119.04927	25.9
120.05286	2.3
121.02849	2.6
125.02353	6.9
129.01836	3.7
131.03386	1.6
132.02008	2.0
132.02933	1.7
133.02861	4.3
134.03644	43.5
135.04352	3.0
137.02303	2.1
139.03958	1.3
145.02869	35.8
146.03233	1.6
147.04443	0.9
149.02432	1.2
149.04544	1.1
149.05969	5.7
150.03123	1.0
151.00246	1.7
157.01341	2.2
160.01596	10.3
161.02353	4.0
163.00259	1.3
163.03937	29.5
164.04454	1.4
165.01903	1.2
167.03339	1.1
169.01398	2.3
175.00381	1.1
175.02388	5.3
175.03938	13.0
177.01874	2.0
178.85414	0.9
178.99773	1.0
179.03427	1.9
193.03464	2.9
193.05003	28.4
194.05313	1.1
195.06670	1.1
207.04926	2.1
229.78142	1.3
249.06120	19.3
250.06401	1.1
267.07196	77.4
268.07568	3.3
268.58646	1.0
280.24271	0.9
301.03470	2.1
315.01627	1.1
351.10962	3.5
381.11945	3.5
395.09747	7.7
413.11020	53.3
413.36145	1.1
414.11523	4.6
425.10681	4.5
435.07019	1.3
443.11951	100.0
444.12195	9.6
589.15527	26.8
589.25250	10.4
590.15814	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	589.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30320	1.4
53.84612	1.4
57.03326	5.4
59.01254	30.5
67.01756	1.3
68.99696	2.1
69.03333	3.3
69.33418	14.8
71.01256	30.0
71.96416	1.4
72.99199	11.0
73.02818	4.1
75.00748	19.5
80.36267	1.3
83.01261	1.9
85.02816	30.8
87.00764	10.7
89.02338	9.9
93.03349	2.1
95.01278	7.1
96.95880	1.8
97.79379	1.4
98.19849	3.3
98.20540	3.9
99.00764	13.5
100.41611	1.6
101.02316	4.4
103.00258	5.5
111.00745	3.0
113.02334	40.1
114.02707	2.1
115.00232	3.7
117.01860	3.5
117.03352	13.6
119.04919	33.1
121.02831	2.6
123.04411	1.8
125.02337	4.8
129.01854	4.2
131.03456	3.0
132.02107	2.9
132.02992	2.4
133.02859	4.1
134.03641	41.0
135.04456	2.1
137.02318	2.2
145.02861	30.5
145.03925	2.7
149.02359	2.9
149.04607	1.6
149.05998	5.0
151.00296	2.2
151.03983	1.5
160.01587	14.3
161.02321	5.9
161.04517	1.3
163.03932	28.1
163.05199	2.6
168.41960	1.4
169.01299	3.5
171.10167	1.4
175.02391	4.1
175.03943	12.8
177.01859	1.9
178.99779	1.5
179.03429	2.1
187.03941	1.7
193.03479	3.1
193.04987	29.4
215.03337	1.2
249.06174	18.7
261.07770	1.9
267.07187	74.6
268.07443	1.7
287.01935	2.7
315.01535	2.4
351.10834	5.1
356.47083	1.5
375.36542	1.6
381.11774	2.7
383.13132	2.2
395.09830	8.0
413.11029	52.3
414.10898	6.1
425.10883	6.0
443.11938	100.0
444.12494	8.6
499.67578	1.7
589.15576	23.4
589.25336	8.7
590.16107	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	587.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	8.2
70.70329	1.4
71.01246	10.5
71.58611	2.5
71.58986	1.7
72.99191	3.6
75.00748	13.2
78.95779	3.3
82.01344	1.5
84.47638	1.4
85.02837	13.7
87.00750	5.1
89.02305	2.5
95.01262	3.2
99.00783	6.8
113.02339	16.9
116.69445	1.3
117.01842	2.4
120.55821	1.4
152.99527	3.5
175.02385	2.2
191.11185	1.3
243.01584	1.9
249.06139	30.3
255.23267	69.8
256.23657	4.5
267.07349	1.8
269.24771	2.2
289.05423	4.7
305.48944	1.6
313.36462	1.4
316.99863	1.4
331.05280	2.0
357.61862	1.5
367.54822	1.4
459.53046	1.4
487.28818	1.8
505.30185	100.0
506.30759	15.0
527.28284	6.9
563.07483	1.8
587.30396	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	587.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
61.98696	21.3
69.98168	17.7
78.95781	35.8
98.20541	44.2
125.02317	19.6
161.02399	16.7
171.10150	27.8
188.70226	19.4
191.97249	19.2
201.11180	57.3
202.58423	20.1
254.80914	17.6
467.20483	22.5
543.31848	48.3
561.68359	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43696	1.2
57.03326	5.9
59.01252	19.3
62.22522	1.7
63.02267	9.3
64.51457	1.3
65.00197	9.8
65.99728	2.8
70.42091	1.9
70.42441	4.7
71.01249	16.3
72.80515	1.3
72.99191	11.6
73.02818	7.8
75.00745	8.9
81.03367	1.7
83.01260	13.1
85.02828	18.3
87.00770	4.5
89.02313	5.3
93.03350	4.2
95.01275	4.9
96.95895	2.9
97.02861	1.7
99.00761	5.8
101.02322	6.1
103.00208	3.0
107.01266	21.2
108.02088	1.3
109.02876	2.9
113.02324	19.7
119.04919	2.5
121.02838	2.7
121.68477	1.4
125.02322	20.9
129.01828	2.7
131.03404	2.2
134.02356	1.8
137.02339	7.0
139.00323	1.7
147.04387	1.9
149.02365	8.1
149.04466	6.2
151.00264	56.8
152.00980	3.5
153.01855	1.7
159.04327	1.4
159.07993	1.8
161.02367	4.0
162.01880	3.5
163.00276	10.8
164.01056	13.9
164.03458	6.1
165.01836	2.6
169.01344	16.2
171.04553	1.8
173.05940	3.5
175.02478	2.9
175.03949	2.9
177.01854	16.4
178.99783	78.4
180.00140	3.8
181.95566	1.7
185.06006	2.5
186.01831	3.2
187.03859	2.3
187.07587	7.2
189.01843	3.5
189.05475	4.4
190.01326	3.3
190.02834	2.2
191.03456	2.9
191.07150	2.5
192.00627	1.9
193.01372	51.3
193.03448	15.2
198.03236	2.0
200.04622	1.7
201.05408	1.8
203.02066	2.9
204.02910	13.1
205.08690	2.0
211.03773	1.8
215.03476	2.0
215.07036	12.3
216.04126	1.8
217.01610	2.4
217.05045	13.5
219.03014	1.6
219.06546	11.6
226.02707	2.1
226.60658	1.8
227.03452	3.6
229.05055	2.6
231.06662	4.5
232.03729	1.7
233.08165	18.3
240.03999	1.7
241.05034	4.5
243.06633	4.4
253.05136	1.6
254.02145	2.0
255.02965	5.4
256.06027	1.9
257.04556	2.2
260.06906	3.5
269.04550	21.5
270.04718	2.1
271.02313	1.6
273.09888	1.4
279.02798	2.4
284.03012	3.5
285.03903	4.1
286.04385	1.8
296.03064	2.9
297.04083	5.9
300.02606	3.2
301.03485	6.2
306.04114	5.6
310.04276	3.0
314.51663	1.8
315.01300	2.3
316.02252	19.3
323.04330	5.5
324.05283	13.3
339.08725	2.3
341.05573	3.6
342.06311	4.5
349.06976	2.0
367.08347	2.4
381.08307	2.2
395.07672	44.9
395.12845	2.2
396.08127	7.7
413.08746	100.0
414.09079	14.4
426.10602	9.9
452.07895	2.3
466.19910	2.2
505.09595	3.5
510.45816	1.6
528.11554	2.7
546.12445	15.3
589.11646	1.9
589.25049	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	587.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26220	1.2
57.03328	1.6
59.01251	12.1
61.98710	2.5
65.00200	1.5
67.01772	1.6
69.40423	7.0
69.40852	5.0
69.76084	1.3
71.01273	9.6
72.99170	3.2
75.00742	5.9
83.01281	3.2
85.02808	9.1
87.00732	3.6
88.03866	1.6
89.02332	2.4
93.03351	3.3
95.01258	1.7
96.95878	1.6
98.19971	4.5
99.00753	3.7
101.02313	2.6
107.01276	3.7
109.02863	9.9
111.00778	1.5
113.02322	5.0
115.00245	1.7
119.01266	3.6
119.04919	6.6
119.28955	1.3
121.02836	19.1
122.03642	9.0
123.00817	3.2
123.04430	3.3
124.01572	2.1
125.02338	27.0
126.02673	4.6
127.02774	1.4
129.01833	1.4
132.02945	1.8
135.04410	4.4
136.01573	2.0
137.02344	25.9
139.00352	1.5
145.02776	1.7
146.03705	2.2
147.00780	8.9
147.04463	7.4
148.01590	6.4
149.00839	1.6
149.02357	6.9
149.04498	1.4
149.05914	1.8
150.03120	14.0
151.00288	7.3
151.03888	4.2
152.04636	1.5
153.01869	1.7
154.02611	1.7
161.02325	3.0
161.05948	2.6
162.03059	3.4
163.03935	12.1
164.01018	2.5
164.04655	6.1
165.01849	100.0
165.05492	41.1
166.02403	4.7
166.05821	1.5
167.03444	1.5
168.00539	1.3
169.01335	18.0
170.01642	4.3
171.01793	4.4
175.02426	2.6
175.03885	12.7
176.04758	1.8
177.01859	6.6
177.05527	1.6
179.03418	21.1
179.07063	15.8
180.04204	41.1
181.04660	1.9
191.03448	1.6
192.04250	4.0
194.05757	4.0
195.06572	60.6
196.06912	3.4
207.06451	2.0
210.05289	5.0
211.02441	1.6
225.07648	33.3
271.02295	2.1
271.05951	1.6
272.06470	2.9
273.07056	1.6
297.03925	1.5
301.03555	2.4
313.05627	4.9
314.05789	4.2
315.06119	6.0
315.12305	2.0
327.12100	1.4
329.10263	2.4
329.14008	3.2
343.11847	1.9
346.14172	5.5
347.14832	6.5
347.22339	1.4
353.94009	1.7
361.16580	53.1
362.16946	5.7
375.18286	1.5
415.17661	7.9
439.08444	1.6
440.09311	4.3
441.09222	9.3
493.18509	3.0
524.20416	1.7
539.22900	87.4
540.23297	9.7
551.22791	4.0
569.23718	2.9
569.69336	1.6
580.98969	1.4
587.13153	21.1
587.24054	12.9
588.13708	3.1
588.27258	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	587.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.2
57.03315	1.3
59.01252	7.1
61.98703	6.3
71.01253	6.8
71.60038	1.2
72.99173	1.2
75.00740	2.2
77.31570	0.9
81.03355	1.0
83.01269	0.9
85.02824	3.3
87.00732	1.1
87.77699	0.9
88.03928	1.0
93.03335	2.0
95.01251	1.8
97.02814	1.5
101.02351	1.4
103.37492	0.8
107.01270	7.2
107.04913	24.3
109.02869	6.9
111.00791	1.8
112.90018	0.8
113.02320	3.0
115.00293	1.2
119.04974	1.1
121.02829	13.1
122.03630	16.2
123.00759	7.8
123.04401	1.4
124.01575	2.7
125.02339	41.0
126.02660	1.4
133.02843	6.6
135.04401	1.5
137.02325	5.3
139.00281	2.6
140.00984	1.1
141.01770	1.0
149.00784	1.3
149.02333	1.4
150.03105	7.0
151.00298	7.2
151.03896	1.8
154.02594	2.1
155.78076	1.0
163.03973	1.1
165.05524	2.7
168.00555	3.7
169.01350	48.7
170.01619	1.8
177.01889	2.6
182.02133	3.4
189.01855	1.1
195.06487	2.3
209.05804	1.1
211.02512	1.2
211.07562	2.3
219.03070	1.1
226.06239	1.4
227.07120	5.0
229.08662	57.2
230.08992	5.1
231.03154	1.0
237.05457	1.1
253.03386	1.2
254.05804	2.7
255.06610	62.7
256.06949	5.3
272.06943	1.1
273.07690	18.2
274.07962	1.8
289.07169	2.4
313.05643	17.9
314.05994	1.6
315.08554	1.0
341.06680	1.4
391.18069	1.6
417.12048	3.4
435.13031	20.9
436.12961	2.3
539.22467	1.9
543.15033	30.3
544.15332	4.1
587.14044	100.0
588.14404	16.2
600.21527	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79731	0.8
57.03323	1.2
59.01246	5.6
61.98702	11.4
69.80901	2.3
69.81320	4.1
71.01250	4.2
73.02831	1.1
75.00742	2.6
81.03333	1.6
83.01228	1.2
85.02824	2.8
87.00773	1.2
93.03343	1.8
96.95884	0.9
99.00747	1.1
101.02348	1.2
107.01273	4.1
107.04907	40.1
108.05259	1.6
109.02842	5.7
111.00844	1.2
113.02309	2.8
119.04918	12.6
121.02840	20.4
122.02820	1.7
122.03635	24.7
123.00755	4.0
123.04386	2.8
124.01526	3.2
125.02344	32.5
133.02838	2.1
135.04425	1.4
137.02306	4.8
139.00304	1.6
140.01028	1.2
147.04422	6.3
149.02328	1.7
150.03098	3.2
151.00275	3.6
151.03928	4.4
154.02646	4.4
163.03923	17.3
165.01875	1.2
167.03403	5.8
168.00598	1.8
169.01337	33.2
170.01663	1.3
177.01849	1.0
179.03394	2.1
182.02113	3.8
202.49585	1.0
227.07079	3.3
229.08667	77.1
230.09065	5.5
241.08646	1.0
255.06596	9.7
256.06729	1.1
272.07050	1.1
273.07684	67.8
274.07962	5.0
289.07224	5.3
313.05634	15.5
424.96365	1.0
435.12949	100.0
436.13272	10.3
439.08487	6.6
471.64166	1.1
543.15112	16.3
544.15417	3.1
587.13983	60.1
588.14380	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	587.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	3.2
59.01257	3.8
61.98703	7.0
65.00172	1.0
69.03313	0.7
71.01263	4.2
72.99182	0.7
73.02803	1.3
75.00786	0.7
80.73300	0.7
81.03329	9.7
83.01257	6.1
85.02820	2.1
87.00744	1.0
89.02338	0.9
93.03334	3.3
95.01276	0.9
95.04909	0.8
97.02832	1.6
98.20176	5.5
99.00751	1.4
101.02305	1.7
107.01268	6.7
109.02828	1.5
113.02298	1.5
115.00256	2.0
119.04919	11.6
121.02924	0.9
122.03669	0.8
123.00763	4.5
123.03521	1.6
123.04411	24.6
124.01564	0.9
125.02341	61.6
126.02697	1.7
132.79248	0.8
135.04414	1.8
137.02362	1.6
139.00279	1.6
140.01112	1.1
141.01900	0.7
149.02388	3.5
150.03146	3.9
151.00272	5.4
151.03931	1.4
157.01384	0.8
161.02296	1.1
165.05495	4.3
167.03416	63.7
168.00580	3.5
168.03717	3.4
169.01341	51.5
170.01701	2.4
175.02411	2.1
177.01904	1.1
179.03453	3.7
180.04265	0.8
189.05559	2.1
191.03438	7.1
193.01384	1.3
195.06592	1.8
203.03423	0.8
211.02440	6.6
217.01286	0.7
229.72279	0.7
233.04604	1.1
241.03508	1.7
271.04550	5.8
273.07678	36.9
274.07986	3.9
297.07678	3.2
313.05652	23.5
314.06146	1.7
324.02725	1.0
341.06610	3.1
367.07986	1.0
391.17828	1.9
411.07318	1.1
432.45551	0.8
433.05716	0.9
435.11133	1.7
439.08752	7.7
440.08997	1.4
481.09851	1.2
543.96069	0.7
587.14063	100.0
588.14453	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	587.141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76738	0.8
57.16001	0.7
57.86905	0.7
59.01327	1.6
67.01834	1.5
69.03412	1.4
69.60580	5.3
71.01353	4.1
73.02898	0.8
79.01835	1.1
81.03448	6.8
83.01340	1.6
85.02937	2.3
93.03466	2.1
95.01398	2.8
97.02927	1.3
101.02443	1.2
105.03427	1.5
107.01410	12.4
109.02994	0.7
111.00895	2.2
113.02483	2.6
123.00778	15.2
123.03596	1.1
123.04413	21.2
124.01680	1.3
124.04861	0.8
125.01482	3.0
125.02344	58.2
126.02768	1.7
127.00348	0.9
135.04520	1.0
136.98866	1.3
137.02428	1.7
139.00256	4.9
140.01224	3.1
141.02010	2.3
149.02344	8.1
151.00290	10.3
153.01891	1.6
167.03577	1.1
168.00563	4.1
168.99306	2.3
169.01346	74.0
170.01820	2.9
185.06210	2.7
191.03616	0.8
200.75388	0.8
211.02617	2.3
211.07758	1.7
218.24379	0.7
223.02531	0.8
224.89697	0.7
227.07321	2.7
229.08690	19.3
230.09207	1.6
241.03700	0.7
255.06596	16.3
256.07202	0.9
273.07855	2.1
313.05655	28.4
314.06177	1.3
340.42096	0.7
341.16229	0.7
342.37076	0.8
343.30014	0.8
417.49814	0.8
543.15100	100.0
544.15326	15.4
569.13141	2.2
587.14038	58.2
588.14410	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	585.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	1.0
60.36109	0.8
71.57750	1.9
78.95777	70.2
82.82544	0.7
96.96839	14.2
102.64645	0.9
123.84682	0.9
152.99492	66.7
223.00041	2.4
237.76016	0.8
241.01164	32.4
269.24844	72.8
270.25284	7.7
315.04852	10.9
405.24078	7.2
499.24512	0.9
585.30444	100.0
586.30823	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04837	0.7
55.45937	0.8
57.40061	0.7
59.01251	3.9
61.14762	0.7
61.98705	2.3
65.00212	1.1
67.01729	1.1
69.03310	1.4
69.28603	4.9
69.29032	4.2
71.01266	2.3
72.19231	0.7
72.99191	1.2
75.00750	1.4
81.03358	1.2
83.01265	1.0
85.02824	2.4
93.03333	10.4
95.01272	2.2
96.95870	1.0
97.02842	2.5
101.02367	1.3
105.03316	0.7
108.02042	1.2
109.02836	16.9
113.02335	1.9
117.03346	2.8
119.04906	2.0
121.02872	3.2
122.01766	0.9
122.03615	3.0
123.00803	4.1
123.04419	11.0
124.01571	1.8
125.02341	59.0
126.02677	1.6
133.02849	5.2
135.04440	1.0
137.02341	2.3
139.03946	1.1
145.02867	16.4
146.03439	0.8
147.04424	1.9
147.41016	0.8
149.01099	1.2
149.02353	6.5
150.03152	17.8
151.03751	6.9
159.04434	2.0
161.02359	2.6
161.05998	1.0
163.03934	1.9
164.04697	1.0
165.05507	21.3
166.05835	9.9
166.99829	4.2
167.06110	1.6
169.01344	100.0
170.01717	4.4
171.13750	0.9
175.03894	1.9
176.01044	2.1
177.01862	50.6
178.02194	2.0
179.03427	1.0
180.04185	2.3
187.03954	3.2
189.01871	40.0
190.02664	10.9
190.06325	0.9
191.03442	9.3
193.01381	6.5
195.06584	10.9
196.06889	4.8
197.07144	1.0
201.01849	4.1
203.03477	6.1
216.00652	6.4
217.01372	32.9
218.01947	3.3
219.02928	13.2
229.05014	2.5
231.02959	11.8
232.03665	1.2
241.05031	4.1
243.06795	0.8
245.08231	1.6
267.06793	0.9
269.04602	1.6
271.06122	13.3
272.06323	0.9
275.05643	2.1
281.04465	2.4
282.05289	0.9
283.06116	6.5
285.03973	1.6
289.07227	5.7
297.07593	1.5
305.04471	1.2
311.05692	5.9
323.05585	22.9
324.05908	1.9
341.06644	66.7
342.06976	7.3
359.14838	1.3
360.15247	4.1
361.15720	1.1
417.09875	10.9
418.09930	1.6
433.09146	1.6
435.10840	83.1
436.11105	10.3
461.08450	1.4
464.92401	1.0
477.08099	4.4
587.11456	10.4
588.12262	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	585.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.1
59.01253	3.1
61.98700	2.1
69.43590	1.6
69.44010	1.2
71.01264	1.1
75.00774	0.5
79.43259	0.3
81.03345	0.3
83.01264	0.5
85.02838	1.5
87.00745	0.4
89.02315	0.3
93.03343	3.2
95.01276	0.5
95.04906	0.4
97.86132	0.3
98.19782	0.4
98.20361	1.1
101.02336	0.5
104.23536	0.3
105.03310	0.3
107.01293	0.8
108.02056	0.4
109.02859	1.1
113.02322	1.0
119.04928	0.4
119.78908	0.3
121.02856	5.2
122.03638	12.9
122.04543	0.6
123.00813	0.6
123.04444	0.6
124.01567	0.6
125.02336	13.4
126.02753	0.5
133.02856	1.4
134.03587	0.4
135.04445	0.8
136.01563	1.1
137.02321	1.3
143.65163	0.3
145.02785	0.5
147.04373	0.7
149.02351	17.2
149.05957	0.5
150.03134	83.7
151.03465	3.7
156.54265	0.3
161.02396	0.5
162.03287	0.4
163.03934	1.6
164.04723	3.1
165.05490	100.0
166.05835	4.1
167.03430	1.1
169.01338	13.2
170.01689	0.6
174.03152	0.9
175.03938	3.9
176.04681	1.0
177.01877	0.5
177.05487	0.4
180.04207	7.9
181.04822	0.7
188.04765	0.8
189.05580	1.2
190.06317	3.5
191.03502	0.4
191.07097	2.4
193.05002	2.1
194.05817	1.4
195.06566	70.9
196.06859	3.5
203.07053	0.4
205.08636	2.8
207.06549	1.2
208.07330	1.9
223.27164	0.3
226.48883	0.3
262.27710	0.3
265.10687	0.3
285.04013	0.4
289.10767	1.0
329.10367	0.4
344.12823	0.5
345.13544	0.6
359.15009	20.1
360.15399	2.3
371.15128	0.7
375.14484	0.4
415.13968	1.3
507.19781	0.4
531.32751	0.4
537.21301	3.2
538.21423	0.5
585.16022	1.1
585.24213	0.6
586.25500	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16739	0.9
59.01245	1.1
61.41714	0.9
61.98700	1.4
64.21842	0.9
64.32136	0.8
66.20870	0.9
66.39848	0.9
69.32430	9.6
88.57446	1.0
93.03323	4.8
95.01278	1.1
109.02862	3.2
121.02850	9.8
122.03645	15.4
123.04444	1.3
125.02362	1.6
132.02107	1.2
133.02870	3.5
134.03630	1.9
135.04410	3.6
136.01514	1.0
137.02299	1.2
138.03073	1.0
147.04456	2.9
149.02353	31.5
149.06000	2.7
150.03143	99.5
151.03554	2.8
161.02385	1.1
162.03340	1.1
163.03923	5.8
164.04718	6.7
165.05490	100.0
166.02631	1.1
166.05836	3.5
175.03867	7.6
176.04689	2.6
177.05486	1.7
179.03392	2.0
179.07089	1.4
180.04205	9.1
181.04855	1.2
189.05466	2.1
190.06270	7.7
191.07111	6.9
193.04932	4.6
194.05746	4.1
195.06566	54.6
195.79372	0.9
196.06865	2.8
203.07118	1.9
205.08699	6.9
207.06616	4.4
208.07280	8.4
222.08972	1.2
223.67542	1.1
344.12759	1.3
345.13373	4.5
357.13458	2.0
358.14157	2.4
359.15030	47.3
360.15381	4.4
375.14706	1.4
411.62955	1.0
454.07208	1.1
507.20200	4.1
537.21301	60.9
538.21588	10.0
585.23193	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	585.1253
Annotation	Prunin 6''-O-gallate
Peak:m/z	Relative Intensity
50.63188	0.8
57.03321	6.5
59.01248	4.0
60.85172	0.7
61.98702	2.7
63.02268	1.6
67.01770	1.0
69.03351	1.2
69.42471	7.0
71.01248	6.2
72.99178	0.7
73.02805	1.1
75.00766	0.8
76.22325	0.8
81.03302	1.5
83.01267	7.3
84.06943	0.7
85.02849	2.2
87.00779	0.9
88.98672	1.0
89.02316	1.0
93.03326	5.0
95.01276	1.0
97.02843	1.0
98.19778	1.5
98.20461	2.3
101.02325	2.3
107.01270	19.3
109.02890	1.2
111.00748	1.7
113.02334	2.6
117.03350	1.2
119.04921	22.7
120.05232	0.9
121.02885	1.3
123.00768	9.2
124.01579	1.5
125.02338	100.0
126.02672	2.5
137.02377	1.8
139.00301	2.2
139.03957	1.3
140.01051	2.4
141.01895	0.8
143.04936	1.1
145.02866	5.8
147.04465	0.8
149.02336	2.7
149.04460	2.2
150.03133	1.3
151.00278	45.4
152.00636	1.6
161.02428	0.9
161.06004	1.8
163.03992	0.9
164.01175	0.7
165.01833	6.5
165.05486	2.3
167.03424	1.7
168.00583	4.3
169.01341	80.7
170.01680	2.4
175.00287	2.2
177.01871	3.4
179.03404	1.1
185.06012	1.3
187.03958	2.5
193.01263	1.7
195.06633	1.5
211.02425	9.5
227.07108	1.7
229.04944	0.9
241.03572	2.5
241.55188	0.7
271.06311	23.3
295.06192	1.1
313.05664	68.9
314.06091	4.0
439.08807	68.3
440.09164	5.5
459.53275	0.8
465.06754	5.0
473.06937	0.8
473.13821	0.7
491.08170	4.9
507.20218	2.1
509.15573	0.9
552.43207	0.8
585.12482	96.6
585.23975	2.9
586.12848	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	585.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	3.5
59.01248	5.7
61.98709	3.3
65.33750	1.5
65.83678	1.7
71.01270	2.1
71.35179	3.3
72.99184	4.2
75.00759	2.2
75.43631	1.6
81.03328	2.1
83.01278	3.6
85.02819	2.1
87.00762	12.4
95.04854	2.5
99.04448	2.1
106.68052	1.6
112.98711	1.8
121.02892	2.1
123.04388	2.3
125.02338	24.5
133.88344	1.7
135.04367	2.1
137.02359	20.3
149.00859	13.5
149.01953	2.0
150.03107	2.9
151.03912	2.8
163.03888	2.6
164.01117	2.2
165.01852	22.3
167.03410	25.9
169.01372	4.8
169.06514	2.3
173.06003	4.4
179.03459	2.1
180.04176	2.3
181.04865	1.9
185.06094	2.1
187.07617	3.1
195.04832	1.7
195.06593	4.2
197.02434	1.8
197.06020	19.2
198.03224	1.9
199.03900	5.8
201.05511	3.2
213.05565	9.0
214.06288	3.4
215.07094	45.9
216.07414	3.9
217.05040	20.5
225.05600	23.3
225.07603	2.8
226.05923	3.3
227.03456	13.3
227.06985	2.8
228.04218	5.1
241.05075	17.8
243.06601	67.5
244.06912	4.4
253.05037	5.6
254.05827	2.4
255.06664	6.2
259.06143	4.9
265.05026	5.7
265.18112	1.7
271.06055	10.2
279.06583	2.0
281.08160	3.1
283.06189	6.8
285.03998	2.9
287.05588	19.4
288.06003	2.0
295.09662	2.3
303.06778	2.5
305.08096	4.2
315.05112	31.3
316.05515	2.7
323.09256	6.5
327.04980	5.4
337.10724	2.3
347.09244	6.1
349.07077	2.8
363.08820	2.6
365.10275	4.1
367.08176	5.8
373.07217	2.7
389.06836	2.1
391.08249	16.9
409.09241	46.9
410.09570	4.7
435.06964	9.9
453.08279	100.0
454.08572	15.1
537.21454	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	585.125
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53423	7.0
59.01253	44.3
61.98713	62.3
71.01265	24.1
71.60843	12.2
72.98116	7.5
85.02844	15.4
89.02304	11.3
90.22519	7.4
93.03312	12.0
101.02349	17.0
103.00303	8.2
109.02840	8.7
111.24165	6.6
119.04919	21.6
123.00800	12.4
125.02351	100.0
137.02344	40.1
139.00313	8.3
143.04968	15.6
145.02853	11.1
151.00307	25.0
165.01891	53.4
167.03494	9.3
169.01343	63.2
180.04195	9.0
183.19905	7.8
185.06026	12.4
195.06598	20.4
202.06473	10.3
209.08186	16.8
211.70172	8.4
216.04417	9.5
227.07124	16.4
243.10359	8.9
243.22032	8.1
245.08176	11.9
253.08659	13.7
271.06137	15.1
271.09711	30.5
313.05707	22.5
350.11249	8.7
368.78070	8.3
368.92258	7.9
393.12900	11.2
419.11719	9.6
437.12442	52.9
438.13113	10.9
463.10382	9.2
481.11591	28.1
482.12436	8.4
524.35181	18.0
541.13336	11.2
585.12115	86.8
585.25385	11.1
586.13489	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	583.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
70.87582	0.6
70.87923	0.8
77.62282	0.3
79.69261	0.3
81.81239	0.4
93.03333	3.0
96.95898	0.9
98.20285	0.4
109.02835	0.9
121.02840	5.5
122.03628	13.8
123.00802	0.8
123.04400	0.7
124.01562	0.8
125.02314	0.4
133.02863	1.6
134.03680	0.6
135.04468	1.0
136.01555	6.6
136.50627	0.4
137.02327	1.2
149.02350	18.3
150.03130	92.6
151.00276	1.6
151.03905	7.3
152.00980	0.5
152.04446	0.5
152.49806	0.4
162.03084	0.4
164.04686	3.0
165.05482	100.0
166.02654	4.6
166.05806	5.0
167.03467	0.8
172.05344	0.4
175.03865	0.8
177.01843	0.6
180.04216	5.1
181.04964	6.4
189.05475	0.7
190.06244	1.1
195.06554	55.2
196.06859	2.8
205.04865	0.4
206.05855	0.4
221.08073	0.6
282.05063	0.5
318.11267	0.5
324.09680	0.4
329.10229	0.5
342.11066	0.8
357.09531	2.0
357.13388	7.3
358.13730	0.8
365.14880	0.4
372.12082	0.8
373.12823	0.5
387.14459	9.5
388.14859	0.9
505.18622	0.7
535.19501	1.8
558.84558	0.4
583.22211	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32345	0.2
59.01254	100.0
60.01595	0.8
61.98707	0.5
69.35193	0.9
69.35614	1.3
71.01253	2.4
73.02824	2.8
75.00742	0.4
83.01273	0.9
85.02815	0.5
89.02348	0.8
90.26636	0.2
101.02330	2.8
104.47791	0.2
113.02346	1.2
119.03365	0.4
125.02378	0.9
129.83484	0.2
130.09743	0.2
143.03464	0.6
144.23822	0.3
149.04543	0.5
161.04535	0.7
168.34090	0.2
169.01395	0.9
195.06508	0.2
230.27867	0.2
395.51843	0.2
515.29803	0.3
583.10107	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.4
59.01254	12.9
59.63418	0.9
60.90940	0.8
61.98714	5.2
65.00208	1.2
69.31298	4.7
69.31728	4.6
71.01249	7.2
73.02834	1.7
75.00737	2.6
77.43246	0.9
81.42269	1.3
83.01277	1.9
85.02824	4.2
89.02325	2.0
95.01287	1.3
96.95870	0.9
99.00794	0.9
101.02324	3.7
107.01279	3.3
109.02824	3.8
111.38186	0.8
113.02325	2.7
114.55355	0.9
121.02902	1.3
125.02316	3.6
133.02846	4.0
142.60251	0.9
149.02361	1.1
151.00272	3.1
157.02884	1.1
161.04486	1.8
165.05627	1.0
171.04414	2.1
173.02367	1.3
175.03944	2.0
183.04448	1.1
187.03943	2.5
195.06520	2.0
199.03986	7.6
201.01846	2.5
209.08127	1.0
215.03452	2.7
225.33830	1.0
226.02573	1.3
227.03426	4.6
243.03000	5.3
255.02927	6.2
271.02484	56.9
272.02841	3.5
282.01697	1.0
283.02475	1.7
285.04089	9.9
289.14670	0.9
299.01959	100.0
300.02408	6.4
301.03519	1.0
313.74261	0.9
543.28015	2.3
585.13715	2.6
585.28754	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	583.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00698	0.8
57.03313	0.9
59.01260	7.3
61.98697	4.1
65.00178	2.7
66.79854	0.8
70.72594	3.0
71.01253	2.9
72.99162	1.3
75.00748	3.1
78.95765	1.1
83.01249	1.7
85.02828	6.6
87.00707	1.6
89.02330	1.2
93.03341	5.2
95.01273	1.4
95.04898	1.1
96.95888	2.4
97.95259	0.9
98.19871	1.0
99.00727	0.9
103.47256	0.8
107.01283	4.3
107.04887	1.2
108.02077	1.5
109.02813	2.0
111.00714	1.0
113.02322	3.2
117.25866	0.9
121.02847	14.1
122.03636	16.7
123.04401	2.4
124.01519	1.4
125.02329	2.9
132.02034	1.0
133.02837	3.2
134.03587	1.5
135.04428	9.0
136.01537	11.9
137.02312	3.7
139.03923	1.7
147.04428	1.3
149.02347	29.5
149.05904	1.1
150.03133	92.3
151.00276	11.5
151.03925	17.0
152.00993	1.7
152.04326	1.2
153.01910	1.1
153.05443	1.3
161.02295	1.0
161.05983	1.2
162.03166	1.8
163.03917	2.5
163.64661	1.0
164.04745	7.0
164.80325	0.9
165.05484	100.0
166.02625	7.8
166.05803	4.1
166.20490	0.9
167.03366	3.9
169.01299	2.3
175.03891	4.7
177.01826	1.1
180.04233	6.9
181.04982	11.8
189.05478	4.1
190.06334	6.0
191.01942	1.2
193.01295	1.1
195.06561	51.1
196.06888	3.1
205.04991	1.2
205.08591	2.1
210.08818	0.9
221.08173	1.3
239.03482	5.2
253.05190	1.2
257.04630	1.4
263.03476	1.2
281.04602	1.5
282.05078	1.4
305.04657	1.8
307.02692	1.0
314.08081	1.1
323.05597	2.5
329.10345	4.4
342.11115	1.5
347.05591	3.9
349.03586	2.2
356.12503	2.9
357.09845	1.9
357.13422	8.9
358.13708	1.3
372.12106	2.2
373.12686	2.6
387.14462	26.5
388.14893	3.4
390.04028	1.0
391.04556	20.9
392.04761	2.5
405.06100	1.8
416.05087	2.4
433.05667	3.1
459.03564	2.1
484.53433	0.9
505.18707	6.7
506.19113	1.4
517.18433	1.4
535.19678	37.2
536.20142	5.9
583.08789	37.8
583.22150	2.0
584.09076	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	583.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17958	0.5
53.21210	0.5
57.03334	1.7
59.01255	13.1
59.14971	0.5
61.98707	25.9
70.22395	0.6
71.01259	7.7
71.61050	0.8
71.75276	0.6
73.02837	1.1
75.00759	1.5
78.95869	0.8
83.01285	1.5
85.02824	6.6
86.03160	0.8
87.00768	1.3
89.02335	3.3
93.03359	5.3
95.01288	1.6
95.04924	1.4
99.00829	0.9
99.81827	0.5
101.02341	3.1
105.03342	0.6
107.01274	0.8
108.02049	1.0
109.02850	1.5
111.00814	0.8
111.58206	0.6
113.02362	2.7
116.92800	0.6
117.01884	0.8
119.03393	0.7
119.04948	1.1
121.02836	6.3
122.03632	14.3
123.04417	1.7
124.01553	1.4
125.02368	6.0
126.02672	0.7
132.97452	0.6
133.02843	1.8
135.04460	1.7
136.01591	1.8
137.02370	3.0
144.54959	0.6
145.02898	1.1
146.03670	0.9
149.02357	34.6
150.03142	92.4
151.03732	3.7
152.01042	1.2
159.02956	0.6
159.04424	0.8
161.02368	0.7
161.04492	1.4
161.05841	0.8
163.03954	1.0
164.04709	6.1
165.01819	3.1
165.05498	100.0
166.05792	4.1
168.00548	0.7
169.01334	3.4
175.03944	2.1
177.05516	2.5
179.03445	1.6
179.05630	0.7
179.07060	1.4
180.04211	7.8
181.04930	1.1
189.05357	0.8
190.06302	1.1
191.01935	1.1
195.06570	55.6
196.06859	3.1
204.32445	0.6
221.06078	0.8
225.07686	1.0
240.07922	0.8
249.05902	0.7
251.06673	0.7
257.04297	0.8
268.07501	1.9
280.07419	0.8
283.09811	1.9
284.06870	0.8
285.04068	0.6
289.07138	0.7
293.08173	0.8
295.06192	0.9
296.06885	1.3
297.11368	1.0
299.09253	1.9
307.09775	1.8
308.07022	1.1
308.10660	1.7
309.07660	1.5
309.11185	0.7
310.08365	1.2
311.09186	1.1
312.06247	1.2
322.08347	1.0
323.09195	3.6
323.12732	1.1
324.10086	1.9
325.10736	2.6
326.11435	3.8
327.08801	5.7
327.12161	1.2
338.11343	1.1
339.08713	8.3
339.12476	1.5
340.09146	1.5
341.13818	1.4
342.11115	7.4
353.10532	0.7
354.11118	2.8
356.12738	0.8
357.13507	20.0
358.13834	2.6
361.29761	3.5
369.13422	19.7
370.13708	2.7
415.15073	0.7
457.12756	1.1
461.16318	1.0
475.17639	0.8
487.17670	1.8
489.15344	1.1
505.18668	6.3
506.19022	0.9
517.18781	1.1
522.33881	1.1
523.34821	6.8
535.19739	37.8
536.20227	4.9
553.21204	0.7
574.77197	0.6
583.22485	2.3
589.17383	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59944	0.3
62.06058	0.3
69.45355	2.8
93.03331	3.8
105.03367	0.4
109.02832	0.8
121.02861	3.3
122.03621	12.2
123.00771	0.4
124.01555	0.3
125.02293	0.9
133.02861	1.5
135.04512	0.4
136.01579	1.4
137.02338	0.6
144.14250	0.4
149.02354	15.6
150.03130	83.1
151.03468	2.4
160.01559	0.7
164.04697	3.1
165.05487	100.0
166.05800	3.4
177.05498	0.6
179.07042	0.7
180.04225	5.9
190.06285	0.8
195.06563	67.8
196.06924	3.3
220.07356	0.5
222.05078	0.4
238.06418	0.4
240.07858	0.5
250.06351	0.5
255.10289	0.4
267.06555	0.6
268.07434	1.8
280.07333	1.1
281.08200	0.4
283.09778	1.5
284.06934	0.6
285.04077	2.0
286.15759	0.3
294.05615	0.5
294.08807	0.4
296.06842	0.8
299.09296	0.4
307.06329	0.6
308.06815	1.3
309.07739	0.8
310.08310	0.5
311.09280	0.5
312.06482	1.6
322.08417	0.6
323.09244	3.0
324.06372	1.2
324.10037	1.2
325.10742	0.5
327.08716	6.0
337.10706	0.5
338.11584	1.8
339.08713	8.3
339.12433	1.6
340.08710	0.7
342.11075	5.2
343.11630	0.7
353.10254	0.7
354.11139	3.5
355.11575	0.6
357.13416	21.5
358.13779	1.6
369.13434	21.5
370.13712	2.4
425.75522	0.4
490.42105	0.3
505.18787	1.1
509.66650	0.4
535.19635	0.9
583.10309	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.161
Annotation	Hexaspermone C
Peak:m/z	Relative Intensity
58.03572	0.9
59.01245	2.1
62.05441	1.1
64.95457	0.8
65.82626	1.0
70.91376	2.5
71.01254	1.1
78.23285	0.8
80.26237	0.9
95.01258	2.5
97.23836	0.8
97.46143	0.8
109.02853	1.9
121.02842	3.8
123.00773	5.9
124.01524	1.3
125.02350	2.7
149.02444	1.2
159.82571	0.9
161.02295	1.4
180.95494	0.9
211.03879	1.5
227.03534	1.3
227.14244	0.9
240.04193	0.9
251.03418	1.0
255.03047	2.4
267.02908	1.7
268.03754	1.0
270.05328	1.0
301.04987	1.4
315.06635	1.1
325.04953	1.2
327.06613	1.8
331.06259	1.1
343.06012	1.5
347.22290	1.9
355.05975	1.3
371.05499	1.5
372.06378	2.2
373.07227	1.6
395.09436	1.1
399.05038	1.3
400.05579	2.2
405.07553	1.3
407.09329	1.3
423.08844	4.6
429.10172	2.1
430.10556	1.9
431.07700	1.5
433.07083	1.1
439.08118	1.0
451.08197	2.8
461.06592	1.7
461.12540	1.3
467.07803	2.2
478.07318	1.9
479.07455	2.7
483.10617	1.2
493.09238	1.2
495.06882	2.0
506.06790	1.3
507.07120	2.9
510.09579	2.9
521.08942	2.7
522.09485	3.2
523.06506	7.6
525.11841	2.2
536.11328	1.4
537.11871	4.0
538.08844	9.6
539.09534	1.3
551.13672	1.7
553.11456	20.6
554.12024	2.7
568.13745	53.2
569.14105	8.3
583.16125	100.0
584.16418	20.1
604.50269	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49043	1.7
63.04238	2.0
65.03794	1.9
71.07939	5.5
71.08311	2.1
79.14681	1.8
81.10139	1.8
95.01280	6.3
99.70107	1.7
109.02854	14.0
119.01308	4.9
121.02852	11.0
123.00774	54.2
123.04365	2.4
138.03136	49.0
139.03529	2.3
153.01839	2.4
153.05479	24.8
165.09166	2.8
171.04443	2.4
195.06544	3.0
199.03879	3.0
209.08083	10.4
211.03969	4.9
213.01895	2.3
223.03973	3.8
227.03470	6.9
233.08051	4.1
236.12430	2.1
239.03519	4.7
254.02206	2.3
255.02946	18.7
267.02933	14.9
268.03607	3.8
269.04462	2.9
270.05185	9.3
282.05344	4.0
283.05704	2.3
285.07645	5.4
287.07150	4.0
287.54736	2.1
291.02972	5.8
297.07700	13.2
314.06058	2.6
315.06656	6.1
324.26700	2.1
327.06564	4.2
329.04602	2.4
330.05429	3.0
342.05243	2.8
343.06131	10.8
358.04913	2.6
359.05524	3.7
367.18149	2.6
371.05658	17.0
372.06293	7.4
386.08374	2.6
387.04874	4.9
399.05078	69.3
400.05676	25.9
401.06482	4.3
402.07907	2.6
413.06375	4.2
414.07416	36.7
415.08096	14.1
416.09372	3.1
417.09668	9.0
418.10593	2.5
429.09869	100.0
430.10446	38.4
431.11255	2.7
440.02567	2.1
444.08383	3.5
459.10754	6.5
461.12512	3.9
473.12671	6.2
476.09525	2.7
503.08365	2.3
504.08911	2.4
506.06464	13.7
507.06638	3.5
521.08685	20.6
522.09485	4.4
536.11230	21.4
537.11688	4.7
538.08643	4.2
551.13519	59.5
552.13782	13.0
553.11798	10.5
553.25964	2.4
554.11353	3.1
568.13672	42.4
569.13776	9.8
583.16095	91.6
584.16315	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	583.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.2
71.58453	1.1
71.58846	1.5
95.01254	2.0
107.01237	1.1
121.02766	1.1
123.00797	5.4
125.02332	1.7
136.01492	1.1
137.02295	1.1
149.02289	0.9
149.99438	2.4
151.00227	1.8
169.01347	2.3
187.03955	2.4
188.04710	1.1
195.06575	1.1
199.03955	1.1
201.05458	0.9
209.08189	1.1
211.03958	1.9
217.00298	1.0
219.16829	0.9
227.03423	2.2
239.03296	1.1
251.03360	2.0
254.02435	1.0
255.02994	1.6
267.02905	2.4
268.03717	1.8
269.04742	1.3
270.05426	1.2
282.05173	1.1
297.07843	1.7
297.11804	0.9
307.02579	1.2
309.04108	1.8
339.08716	1.4
365.23227	1.1
371.05402	2.3
372.06244	1.4
386.07748	1.3
387.08914	1.2
397.07239	1.0
407.09399	1.1
439.08307	1.2
451.07925	1.3
467.07669	2.4
479.07748	0.9
482.09961	1.7
493.43359	0.9
495.07217	3.5
507.07135	1.7
510.09537	4.0
520.07904	1.4
521.08618	2.4
522.09546	2.1
523.06549	4.6
525.11877	3.8
538.09058	16.8
539.09467	2.0
551.13513	1.6
552.08850	0.9
553.11340	13.9
553.19305	1.2
554.11981	2.5
568.13733	31.6
569.14288	5.1
583.16138	100.0
583.31274	2.5
584.16510	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	583.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	4.6
61.98697	2.2
64.68631	0.8
71.01241	1.4
75.00726	1.2
81.03349	0.8
82.75320	0.8
83.01249	1.0
85.02816	1.6
100.92599	0.9
101.02307	1.2
109.02837	19.3
118.43681	0.7
121.02826	1.1
123.00742	1.9
123.04400	0.7
125.02342	1.7
132.02072	2.0
133.02843	13.2
135.00691	0.8
137.02339	2.1
151.00273	1.0
151.07518	1.1
161.02299	1.9
163.00288	1.4
177.01793	1.6
183.04393	1.1
185.02440	0.9
195.06555	2.3
199.03929	1.2
206.78853	0.9
209.08072	1.3
209.11623	1.1
211.03897	1.9
213.05521	0.9
225.05409	1.1
227.03427	3.5
229.05061	0.8
229.75395	0.9
239.03456	3.0
240.04240	0.9
251.03542	5.8
253.01295	1.7
253.05052	2.1
255.02904	3.4
256.03690	1.5
263.03516	1.4
264.04211	1.5
267.02939	2.9
268.03735	2.0
269.04526	3.3
270.05154	1.7
271.06064	1.9
275.03375	1.8
277.05032	1.3
279.02893	1.1
281.04489	3.1
283.02573	0.8
284.03293	2.2
285.03903	4.3
289.05075	1.1
291.06558	1.1
293.04553	3.5
294.05161	1.3
295.02399	1.1
296.03409	1.1
297.04001	5.8
301.05286	1.3
303.06598	1.3
304.03690	1.0
305.04428	3.2
307.02515	2.7
317.04575	1.5
319.06134	2.4
321.04025	0.9
329.04407	2.2
330.05197	1.3
331.06046	3.3
343.06067	1.3
345.03879	1.2
345.07590	1.3
347.05518	8.6
357.03912	1.9
359.05453	1.6
360.06226	0.9
371.05499	3.6
373.07492	1.6
374.03830	1.1
375.05063	23.9
376.05588	3.3
377.96893	0.8
383.05051	1.0
387.05090	2.4
388.05435	1.8
389.06573	4.2
390.07422	5.5
391.08200	2.8
399.05170	9.3
401.06741	1.2
402.07339	1.4
405.09796	33.5
406.09900	3.9
414.07541	2.2
415.04556	1.7
416.05536	1.0
417.06186	8.1
429.04892	1.7
429.10452	11.0
430.06647	19.4
431.07367	3.0
432.08420	1.2
443.03937	5.0
444.03473	1.0
444.08408	3.0
447.10928	12.7
448.11063	1.2
458.06647	1.3
473.08685	21.7
474.09216	5.6
559.35291	0.9
565.10870	1.0
568.11353	1.5
583.12421	100.0
584.12775	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	583.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25502	0.9
59.01257	4.7
59.75177	0.8
61.98698	2.0
68.27278	0.8
95.01229	1.0
98.19827	2.2
108.02044	1.9
109.02137	1.8
109.02842	26.5
123.00768	2.0
124.01625	1.1
125.02322	1.5
132.02055	1.1
132.88184	0.9
133.02852	17.1
134.03174	0.9
149.02371	1.3
159.04504	1.1
161.02344	1.4
163.00308	1.4
177.01727	1.4
183.04439	1.3
185.02299	1.2
199.03976	1.4
200.54747	0.9
201.01840	1.0
209.08189	1.3
211.03914	3.1
223.04135	1.0
225.05400	1.4
227.03477	9.8
229.05054	0.9
235.04074	1.9
239.03496	4.5
239.05496	0.9
240.04123	1.6
251.03455	10.2
253.01378	1.3
253.05005	3.0
255.02933	2.2
256.03760	1.7
261.05487	1.1
263.03418	2.5
264.04190	1.9
265.05060	1.1
267.02930	3.5
268.03644	3.0
269.04556	3.8
270.05447	1.1
275.03592	1.4
280.03659	1.3
281.04510	4.2
282.05191	1.5
283.06076	3.0
284.03436	4.8
285.04044	4.6
293.04544	3.5
294.05191	1.1
295.02429	1.9
297.04013	4.7
298.04443	1.2
299.05557	5.9
301.04926	1.4
305.04587	1.1
307.02432	2.2
315.06711	1.6
321.04044	1.3
329.04501	1.8
331.06091	3.0
343.06088	1.8
345.03699	1.4
347.05530	3.2
355.06058	1.1
357.03839	1.7
357.07764	1.2
359.05713	5.7
371.05365	1.5
373.07138	2.1
375.05087	18.8
376.05637	3.0
383.05518	1.9
387.04968	2.5
388.05801	2.1
389.06619	2.7
390.07269	6.8
391.08304	5.7
399.05118	11.5
400.05453	2.1
401.06549	3.4
405.05112	1.4
405.09860	20.9
406.10162	3.0
413.06653	2.2
414.07343	5.4
415.04214	1.1
416.05142	1.4
417.06122	10.7
418.06531	1.3
429.10193	14.1
430.06668	16.8
431.07831	4.6
432.08313	1.8
443.04013	3.0
444.09036	5.4
445.08746	1.3
447.10992	10.4
448.11142	1.4
458.06378	2.5
459.07193	3.2
473.08743	33.2
474.09128	5.3
515.13037	1.2
525.07440	1.0
568.10028	2.1
583.12421	100.0
584.12720	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	583.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15474	2.4
57.03321	17.1
58.78181	2.1
59.01250	8.5
61.61917	2.1
65.00193	3.0
65.81901	2.1
70.61791	8.2
70.90237	2.2
72.98178	2.1
77.79311	2.1
78.95814	3.3
81.03376	3.0
83.01260	4.5
89.28710	2.5
93.03342	2.1
96.95909	5.1
107.01289	2.6
124.01541	5.7
124.70096	2.7
125.02349	75.6
132.02052	4.1
133.02867	3.0
148.49565	2.2
151.00186	5.3
152.01096	11.8
153.01851	4.9
178.99762	9.3
187.03929	2.5
238.02657	4.6
239.03448	12.5
240.04106	2.9
241.04968	6.8
282.05246	13.5
283.06305	2.9
295.16025	2.2
297.07718	7.6
306.05154	2.6
307.06259	5.3
321.07639	4.3
355.05798	4.5
368.67468	3.1
371.05649	5.0
373.07413	3.1
374.04218	12.3
375.05170	4.3
379.31198	2.8
388.09772	2.6
389.06531	4.4
429.09845	25.3
431.11380	12.6
437.10635	5.9
453.09610	4.0
454.10745	3.4
481.09094	4.0
496.11432	5.0
497.12439	8.9
499.10455	9.5
511.14081	3.8
539.13519	31.8
540.13354	2.8
555.13123	3.5
565.11371	100.0
566.11963	14.3
583.12378	54.3
584.13074	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	581.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	4.6
60.01574	0.5
60.31945	0.2
61.01676	0.7
61.98702	100.0
64.42316	0.2
69.24969	2.7
78.95779	5.0
78.96215	0.4
80.96204	1.0
85.51925	0.2
98.20564	0.5
117.88259	0.2
143.24107	0.2
152.99489	1.0
157.81744	0.3
168.04239	0.5
224.06868	1.4
225.07253	0.7
226.07375	0.5
227.07533	0.3
231.71463	0.3
244.08521	0.3
279.23300	6.1
280.23621	10.2
281.23941	7.3
282.24194	3.9
283.24213	0.2
504.31226	1.4
505.31354	2.0
506.31512	3.3
507.31805	9.5
508.32196	0.8
599.53021	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	3.4
60.01582	0.6
61.61472	0.4
61.98703	100.0
71.22047	1.0
78.95783	1.6
86.49079	0.4
110.27358	0.5
121.13418	0.4
152.99530	1.0
154.50102	0.4
199.26027	0.4
242.08015	0.5
279.23279	7.6
279.26038	0.6
280.23630	10.3
280.26675	0.5
280.52786	0.4
281.23917	7.8
282.24216	4.5
504.31461	0.8
505.31198	0.7
506.31555	1.3
507.31830	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	18.8
61.67081	1.0
65.27701	0.9
67.77882	0.8
71.58582	1.6
73.21648	0.9
78.95778	20.6
112.64547	0.9
118.43534	0.9
143.26228	0.9
151.62801	0.8
152.99483	2.4
155.11879	1.0
168.04233	2.9
171.94147	1.1
172.97578	1.0
224.06876	7.0
225.07237	1.0
236.87585	1.0
242.07953	1.4
259.29453	0.9
283.26431	100.0
284.26761	8.4
286.60541	1.2
343.66266	1.1
354.07159	1.0
390.49402	1.1
508.34091	57.0
509.34280	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	581.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83988	8.0
59.01249	45.9
61.98706	13.3
61.99025	8.8
69.38889	78.7
71.01264	25.4
76.61536	9.3
81.03354	8.3
85.02829	11.8
89.02313	14.2
92.92336	9.2
96.95906	9.5
102.01105	9.1
113.02329	9.7
125.02350	20.8
125.05938	11.6
165.09117	25.9
192.47006	8.3
197.11690	14.6
209.08159	100.0
209.11626	9.8
219.74414	9.2
233.07965	12.4
246.47723	11.4
253.09236	22.4
309.20721	36.9
419.20844	21.3
453.43903	10.7
545.29877	35.3
581.13129	12.3
581.26947	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71247	8.1
59.01257	100.0
61.98697	20.7
69.97621	19.3
69.98033	24.7
71.01250	16.6
75.00751	19.4
85.02789	19.2
88.82642	7.0
89.02321	9.9
98.14100	8.3
101.02338	10.8
109.28946	7.5
125.02361	19.0
132.25052	10.4
151.04016	9.9
163.48730	8.6
165.09131	20.8
197.11790	10.8
209.08173	74.6
253.09288	16.0
287.28497	7.6
291.19568	9.4
309.20740	35.1
320.59219	8.8
581.27075	34.0
582.27625	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	581.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	11.3
59.01258	100.0
61.98703	63.4
67.80806	8.8
71.01262	26.0
71.56991	7.6
75.00758	28.3
83.01264	9.2
85.02832	13.6
89.02312	14.6
96.95905	13.5
99.04375	8.6
101.02313	13.2
113.02341	16.1
125.02339	17.4
125.05990	8.7
137.02322	16.7
149.02347	12.2
151.00320	13.6
165.01918	10.6
165.09120	23.3
173.30656	7.7
197.11818	13.4
200.04655	7.0
209.08176	86.3
209.11879	9.6
210.08519	12.5
233.08089	17.9
253.09201	26.2
275.51608	8.0
284.49332	8.6
309.20737	27.5
419.20483	14.0
581.11200	30.8
581.26831	35.8
582.11029	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	581.26
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68959	0.2
54.15948	0.2
57.03328	0.5
59.01242	0.9
61.98703	0.3
65.00208	0.7
67.01746	0.2
69.03339	0.2
69.45205	2.0
71.01248	0.5
71.04884	0.3
71.50729	0.2
72.90339	0.2
72.99181	0.3
81.03330	5.8
83.01274	0.9
83.04886	0.2
83.09110	0.2
95.01260	0.3
95.04887	0.5
97.02832	0.4
98.20606	0.4
99.08018	1.6
101.05971	1.0
103.33381	0.2
107.01255	0.5
109.02848	0.2
109.06458	0.2
121.02842	0.3
123.08052	3.3
124.01524	0.4
125.02351	5.7
125.05977	5.6
126.06315	0.3
127.07568	0.3
131.01286	0.2
131.64565	0.2
136.05200	0.7
137.05951	0.4
141.09097	1.0
147.08060	0.6
149.02330	1.2
151.00267	0.9
152.01019	0.7
165.09125	34.1
166.09552	1.5
167.03355	0.2
167.07106	0.3
175.00291	0.5
177.09094	0.4
179.07118	0.6
188.01788	0.2
191.07051	1.1
193.08635	0.9
205.08607	0.7
207.10089	0.3
209.08134	100.0
210.06540	0.4
210.08459	5.8
215.07091	0.7
221.08138	0.8
223.09718	1.9
233.08154	22.6
234.08545	1.2
245.08405	0.3
251.09227	8.6
252.09631	0.3
263.09189	1.4
275.09299	0.6
492.17770	0.2
563.24823	0.3
581.26038	4.9
582.26550	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84948	0.9
58.11694	0.9
59.01278	2.4
71.01273	2.2
75.00748	1.5
85.02833	2.7
93.03346	4.1
101.02340	1.2
109.02847	1.8
121.00774	1.0
124.01564	1.9
124.12302	1.0
125.02315	2.3
135.04420	1.1
137.02347	9.5
139.03929	3.1
140.01118	1.0
151.03954	1.8
169.01410	1.1
175.03976	2.2
182.39297	1.2
189.05505	1.2
205.04883	1.5
221.08191	4.0
229.76888	1.1
281.04504	2.1
298.04645	1.2
301.07281	2.3
313.07178	8.9
327.08755	7.6
328.09467	1.7
329.06595	4.2
329.10208	1.7
341.10251	1.4
343.08261	5.3
343.11746	1.3
344.08997	10.3
358.10580	23.7
359.11334	40.8
360.11804	3.6
373.12930	45.4
374.13354	5.2
389.12460	16.4
404.14810	18.2
405.15186	3.0
419.17142	100.0
420.17435	11.1
581.24231	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	3.0
57.03323	13.7
59.01254	45.9
60.01605	2.0
61.98709	13.2
67.70956	2.2
71.01255	30.0
71.59773	2.3
72.99181	12.3
73.02828	4.7
75.00748	66.2
83.01263	5.2
84.72230	1.6
85.02827	100.0
86.03156	3.9
87.00751	9.5
89.02311	4.0
95.01250	3.9
96.95914	4.6
99.00740	11.7
101.02333	12.9
103.00241	2.9
111.00796	2.4
113.02339	35.7
113.03079	3.4
115.00257	3.1
121.02815	2.7
125.02327	7.5
129.01833	6.5
133.02881	3.6
134.03610	5.1
135.04399	2.9
137.02354	2.8
138.74223	1.8
144.54071	2.0
147.02881	10.2
150.03157	3.2
151.00316	2.5
161.02374	3.1
161.04475	2.3
164.17560	1.9
165.05464	3.9
169.01309	3.4
175.02385	6.8
178.02710	3.5
178.60260	1.9
179.03403	2.4
189.05548	7.3
190.02647	2.7
191.01926	33.1
195.06589	2.3
204.04248	1.9
209.02930	20.4
209.11859	4.4
252.14468	1.8
286.03406	2.1
317.56061	1.9
370.05438	13.3
474.22318	1.8
537.25555	83.4
538.26025	10.9
581.31219	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	581.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.8
57.03323	11.1
58.54826	1.0
59.01256	11.5
61.98701	2.3
70.91079	2.5
70.91410	1.1
71.01263	5.8
72.99183	2.9
73.02819	1.3
75.00742	3.9
80.96442	1.0
82.84333	1.0
83.01250	2.3
84.02033	1.2
85.02827	63.2
86.03145	1.4
87.00759	1.4
89.02302	1.5
93.03337	4.1
101.02334	2.3
109.02831	1.1
111.00767	1.3
113.02298	2.1
119.04949	1.9
121.02821	6.3
122.03640	14.5
123.04407	1.6
125.02342	3.0
129.01807	4.5
133.02856	2.2
133.23544	1.2
134.03629	2.1
136.01559	2.9
137.02318	2.3
141.08177	1.1
147.02899	8.7
147.04431	2.1
149.02361	23.2
150.03142	100.0
151.03520	4.3
164.04662	4.2
165.05502	86.6
166.05841	3.9
175.03941	18.5
177.05464	1.7
180.04237	5.9
190.06303	3.4
191.01915	22.7
195.06573	38.6
196.06944	3.1
203.89923	1.2
209.03017	1.4
218.05850	6.1
219.06715	1.1
222.05273	6.1
237.05510	1.2
241.04950	1.8
242.05501	1.5
249.05397	1.2
250.06279	1.3
253.05153	1.4
265.04968	1.3
266.05762	4.3
268.07675	1.1
274.15976	1.3
278.05719	4.5
281.04819	2.3
281.08096	2.2
294.05368	1.4
295.09793	2.0
305.23077	1.0
306.05313	4.4
307.06018	5.7
308.06836	1.3
309.03992	3.8
309.07458	2.3
310.04810	3.7
320.06558	1.4
321.07629	13.4
322.04807	1.8
322.08304	4.0
323.09174	5.1
324.06317	7.0
324.09946	3.4
325.07159	13.4
326.07544	1.8
335.09241	1.7
336.09958	6.5
337.07141	9.9
337.10757	2.6
339.08755	9.3
340.09439	9.4
341.10074	2.0
352.09518	4.2
353.10156	2.1
354.11087	7.7
355.11871	23.5
356.12131	2.1
367.11856	37.4
368.12115	4.0
473.12372	1.6
488.14532	1.9
489.15683	1.6
503.17142	17.6
504.17599	2.0
515.16431	1.2
533.18219	16.1
534.18457	1.7
551.19366	11.5
552.19739	1.8
581.20221	15.6
581.28113	2.0
582.20697	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45597	0.7
59.01247	1.3
65.27361	0.6
71.01247	1.4
75.00757	1.1
80.44056	0.5
93.03326	3.7
96.95898	1.2
109.02891	0.6
121.02843	5.3
122.03622	15.4
122.14196	0.6
123.04381	0.5
124.01557	0.6
125.02361	0.5
130.73442	0.6
133.02844	1.6
135.04347	0.6
136.01520	1.3
136.86739	0.5
137.02296	0.9
143.03473	0.5
147.04353	1.5
149.02345	19.7
150.03127	99.3
151.03477	3.5
162.03056	1.1
164.04691	3.9
165.05484	100.0
166.05809	3.7
175.02498	0.9
175.03926	12.0
176.04613	1.7
177.01785	0.5
177.05521	1.7
180.04213	6.9
180.40273	0.5
188.04733	0.8
190.06244	4.6
195.06557	52.7
196.06895	3.0
218.05742	6.9
219.06456	1.2
222.05244	6.1
222.07019	1.0
223.05544	0.6
229.08556	0.7
229.73697	0.7
235.07503	0.6
236.04475	0.7
237.05548	1.1
238.06255	1.2
241.04944	1.1
249.05498	0.8
250.06403	0.8
253.04973	1.1
254.05777	1.3
257.04404	0.9
265.05042	1.7
266.05786	4.0
267.06296	0.6
277.05078	1.1
278.05829	6.8
279.06470	2.0
281.04581	2.0
281.08200	2.3
282.05429	1.2
291.06607	1.4
291.49741	0.6
292.07449	0.9
294.05350	1.6
294.79425	0.6
297.07751	1.5
306.05298	5.9
307.06262	5.4
309.04083	2.1
309.07739	1.9
310.04843	3.0
320.07013	1.6
321.07648	19.0
322.04776	2.0
322.08319	4.5
323.09155	1.0
324.06470	3.4
325.07159	13.8
326.07623	1.5
335.09174	1.7
336.09967	8.7
337.07162	13.5
337.10767	3.7
338.07471	2.0
339.08774	5.5
340.09479	9.2
341.10056	1.6
351.08633	0.8
352.09515	4.7
353.10049	0.7
354.11029	4.9
355.11856	30.2
356.12134	3.0
367.11835	39.8
368.12122	4.0
385.13028	1.2
435.13153	0.7
435.75864	0.6
503.17163	1.6
533.17993	1.0
551.19281	6.5
552.19196	0.7
581.20349	13.9
581.29529	0.7
582.20734	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	581.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	5.1
59.08081	0.7
64.84712	0.7
65.07565	0.8
71.01249	2.6
74.49333	0.8
78.95742	0.8
79.05330	0.7
81.03326	19.1
85.02829	1.0
87.00767	0.7
89.02354	0.8
93.03326	3.5
96.95854	1.9
98.19791	1.4
98.84302	0.7
101.02361	1.0
103.00220	1.0
105.03311	0.8
106.04092	1.3
107.01237	1.3
108.02042	1.0
109.02863	2.0
113.02312	1.4
117.03348	28.6
117.04185	1.6
118.03673	1.4
119.04919	16.6
121.02842	1.2
122.03602	2.2
123.04408	54.3
124.04768	1.0
125.02310	1.5
133.01303	1.1
137.02361	1.2
145.02853	100.0
146.03149	3.8
149.02347	9.4
150.03032	1.7
156.42163	0.8
163.02678	1.4
163.03918	13.0
165.05437	1.7
182.42764	1.0
185.05972	2.5
193.05048	1.3
195.06512	1.1
211.07567	1.0
227.07120	3.7
229.08643	26.0
229.75117	0.9
230.08942	1.4
255.06610	23.6
256.06979	1.2
273.07687	41.2
274.08044	2.7
297.73419	0.8
307.08191	11.8
308.08368	1.3
355.08060	1.0
385.12891	1.8
537.17474	1.7
580.34058	1.9
581.16620	82.1
582.08154	1.4
582.16968	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	581.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.1
63.00418	0.6
67.01773	0.9
68.99692	18.6
80.02555	0.6
80.48566	0.6
95.01291	1.3
96.95890	1.2
107.01337	0.5
108.02055	33.7
109.02876	5.2
111.00780	1.1
117.03329	1.4
119.04926	0.6
121.02884	1.6
122.03660	3.8
123.00769	13.3
123.04412	33.5
124.04769	0.9
125.02336	1.2
125.61543	0.6
132.02075	5.1
133.02853	2.2
134.03650	1.2
135.04434	0.9
136.01584	1.2
138.03133	39.6
139.03432	0.9
147.04407	2.2
148.01569	2.9
149.02336	1.4
150.03145	15.7
150.94562	0.6
153.05551	1.3
160.01570	2.7
161.02344	13.0
162.03139	32.5
163.03934	13.5
164.01031	0.6
165.05457	2.1
167.03392	1.4
175.03912	0.9
177.05496	46.0
178.02637	38.7
178.05885	2.1
178.88127	0.6
179.03346	5.1
179.07045	1.2
190.06316	0.9
193.05000	100.0
194.05473	6.2
195.06430	0.8
208.03746	0.7
216.26767	0.5
220.07353	1.7
226.04662	0.9
238.06244	0.6
261.11194	0.8
263.39700	0.6
267.06558	0.9
268.07306	3.6
269.07846	0.7
279.06662	0.7
280.07388	0.9
283.06723	0.7
283.09772	2.9
284.06818	1.2
295.06161	0.9
296.06909	1.6
297.07587	0.9
299.09183	1.1
308.06924	1.9
309.07578	2.0
311.09311	0.8
312.06335	2.6
322.08325	0.9
323.09229	3.0
324.06445	1.4
324.09933	2.0
327.08771	8.4
327.12418	1.0
338.11688	1.0
339.08725	12.5
339.12357	1.6
340.09192	1.4
341.10184	1.4
342.11069	8.4
343.11432	0.8
354.11053	4.4
355.12192	0.8
356.12708	1.9
357.13452	16.7
358.13815	1.4
362.10846	0.7
369.13443	13.9
370.13727	1.8
551.19849	1.0
581.20270	29.7
582.20557	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1457
Annotation	2,3-Dihydroochnaflavone 7,4',7'''-O-trimethyl ether
Peak:m/z	Relative Intensity
59.01242	4.3
61.98701	2.3
64.74785	2.3
68.60043	2.2
69.88921	11.5
96.95890	2.5
98.20511	2.5
109.02838	3.1
123.00751	3.4
123.04375	2.4
125.02322	4.9
137.02328	7.8
148.18402	2.2
165.01915	3.5
165.09087	5.9
209.08095	4.4
330.05197	2.3
341.04602	5.6
342.05234	3.1
356.03281	5.2
365.08005	3.0
369.03946	5.8
370.04706	6.2
371.05573	8.9
377.20535	2.3
383.05490	3.3
384.06506	11.9
385.07248	15.3
386.08014	5.9
399.08826	10.7
412.02350	6.3
421.07095	5.4
427.04465	8.0
437.06659	5.8
442.06931	8.6
443.07578	2.6
449.06348	3.5
452.09238	3.0
457.09177	12.8
465.05991	6.7
477.05881	4.2
480.08777	3.3
490.06619	2.7
493.05679	7.0
508.08145	8.9
521.05219	3.9
523.10608	6.2
536.07507	7.6
538.12714	10.3
539.12781	3.0
551.10046	12.4
553.14990	3.2
566.12140	52.8
567.12207	10.0
581.14563	100.0
581.27051	9.8
582.15002	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	580.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	22.6
63.57285	0.6
70.89445	1.4
78.41875	0.5
78.95775	20.2
79.20505	0.5
88.77643	0.5
94.20918	0.7
127.25121	0.6
152.99500	3.0
168.04260	3.1
170.55754	0.6
198.83771	0.6
224.06897	8.1
224.09013	0.5
242.07990	1.8
281.24847	100.0
282.25220	9.2
295.02188	0.6
344.35916	0.5
506.32495	57.2
507.32913	6.7
588.63263	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.42783	0.4
79.95594	2.5
82.46777	0.3
84.03873	0.3
96.77466	0.3
96.95889	100.0
101.02374	0.4
110.38744	0.3
111.00806	0.5
119.89832	0.3
125.02333	2.1
149.01007	0.3
169.01364	1.4
229.72726	0.4
238.68912	0.4
328.13284	0.3
331.06845	0.6
363.18787	0.4
436.08682	0.3
439.08878	1.2
443.43079	0.3
483.07687	0.8
549.77966	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52779	5.1
79.16028	0.6
79.95609	2.1
83.47037	0.6
96.95889	100.0
98.19897	1.3
125.02338	6.3
141.00603	0.6
158.94214	0.6
169.01337	6.7
211.02487	0.8
271.04605	2.1
287.07767	0.7
331.06799	3.3
439.08719	3.4
483.07797	6.0
484.07986	0.6
533.59607	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	3.1
59.01238	10.0
59.63846	2.1
63.02281	4.6
65.00197	10.4
68.99683	3.7
69.27341	6.1
69.27762	20.2
71.01237	4.2
77.15079	2.1
82.78752	2.3
83.01251	6.9
85.02829	6.0
93.03360	2.5
95.01255	6.6
96.99189	3.6
97.02818	4.5
101.02344	2.9
106.00499	5.8
107.01282	10.7
108.02092	2.4
109.02850	14.0
109.99969	4.6
111.00761	11.0
112.27196	2.1
121.02858	3.6
123.00746	10.6
124.01584	2.9
124.17932	1.9
124.98708	5.6
125.02315	6.9
133.02798	4.4
135.04469	2.2
136.98740	3.9
137.02351	5.5
137.99455	3.5
139.00284	10.7
143.04910	2.2
145.02794	3.2
147.04495	3.4
148.01558	3.3
149.02354	4.9
149.99516	5.8
151.00281	27.1
152.01019	7.1
153.01834	7.0
153.98947	7.7
154.99745	9.3
155.10640	3.5
159.04401	4.2
161.02318	5.1
163.00266	2.2
163.03935	3.8
164.00998	2.5
164.98174	5.1
165.98936	2.9
166.99767	5.4
168.00510	6.3
169.01326	8.7
171.04410	4.3
172.98976	2.1
173.02295	2.9
175.03806	5.1
177.01871	4.0
177.99019	6.5
178.99786	36.4
181.98528	5.6
187.03889	11.7
189.01834	3.7
189.05531	3.0
190.06265	4.1
191.01866	2.4
191.06908	2.1
192.00542	2.8
193.01360	3.9
193.67564	2.0
194.99275	4.5
195.30354	1.8
199.03893	5.0
201.01898	3.3
202.02505	4.2
202.23940	2.6
203.03430	8.2
209.00725	2.6
215.03433	9.1
217.01320	3.6
222.98795	3.6
227.03493	2.5
231.02921	6.7
232.03476	3.2
233.04443	3.5
243.02893	13.5
245.00830	4.1
255.02914	2.7
259.02420	10.1
261.04083	5.3
271.02490	17.4
272.02789	3.6
284.03351	3.7
285.03748	3.2
286.01163	4.0
287.01993	39.3
288.02573	9.1
289.03329	6.1
297.00558	4.2
303.01437	4.0
315.01474	100.0
316.01999	10.9
316.05368	1.9
317.02673	2.3
332.01721	21.9
333.02448	12.6
357.02496	2.4
389.16125	22.1
397.07532	5.3
401.07172	4.8
449.16476	4.4
453.92059	2.3
493.10071	4.0
514.86584	2.4
537.08752	35.3
538.08948	2.7
581.13684	3.1
581.27991	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	10.8
59.47427	1.9
63.68932	2.1
70.20012	9.4
71.41519	1.8
73.02829	2.3
75.24383	1.9
78.95782	2.7
89.02305	2.6
94.05099	1.9
103.47014	2.3
147.02966	2.2
172.89285	2.0
190.77214	2.0
196.63297	1.9
214.50917	2.1
253.09322	14.7
256.81360	2.2
283.26410	100.0
284.26736	10.0
388.87976	2.5
461.61191	2.1
485.83005	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	579.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	12.1
69.53892	9.8
71.01245	2.2
73.02843	1.2
73.79914	1.2
75.55243	1.3
89.02319	3.4
101.02351	3.8
131.85185	1.1
161.04489	1.7
212.21188	1.1
235.08109	1.4
253.09325	10.5
283.26422	100.0
284.26794	10.4
495.09921	1.2
509.31610	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	16.5
64.02980	0.2
69.29530	1.0
69.29952	1.3
78.95775	5.8
80.96394	0.5
91.68095	0.2
94.97967	0.2
99.60206	0.2
125.70444	0.2
152.99539	1.4
163.71420	0.2
168.04160	1.2
224.07111	1.0
242.07942	2.5
278.94281	0.2
281.24844	100.0
282.25211	8.3
282.27536	0.2
290.49292	0.2
368.89633	0.2
506.32501	21.2
507.32892	3.1
555.36096	0.2
580.28870	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3385
Annotation	2-palmitoyl-trehalose
Peak:m/z	Relative Intensity
53.02819	0.8
55.01773	1.2
57.03310	1.2
58.00465	3.0
59.01251	54.4
69.82951	5.5
71.01254	50.7
72.01572	1.1
72.99177	3.9
73.02824	2.6
75.00761	1.0
78.95782	3.1
83.01279	4.4
85.02829	7.8
87.00756	17.4
87.44324	0.8
89.02319	56.3
90.02676	0.9
95.01267	4.1
97.02840	1.6
99.00778	1.9
101.02316	22.6
102.70827	0.7
112.74220	0.8
113.02332	26.0
115.03905	1.0
119.03381	16.9
125.02351	1.7
129.01779	1.1
130.10062	0.8
131.03400	3.5
135.25334	0.9
140.62729	0.8
141.01765	1.4
143.03389	8.3
149.04430	1.6
151.05618	0.9
161.04463	8.6
179.05542	17.1
255.23273	100.0
256.23630	8.7
267.23129	1.1
269.24881	13.0
270.25113	1.2
279.23221	1.1
281.24866	14.6
297.24365	3.5
323.09845	11.5
327.88324	0.9
341.10886	33.4
342.11145	1.6
506.32721	7.1
529.69440	1.2
579.33997	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23508	2.2
57.03323	17.7
58.00460	3.5
59.01257	100.0
61.98678	2.8
69.71990	4.8
69.72393	13.2
71.01260	62.5
72.99185	7.9
73.02822	10.8
75.00758	20.5
78.95774	3.2
82.95261	2.5
83.01257	7.7
83.02367	6.7
84.02016	2.9
85.02828	34.1
87.00760	11.0
89.02322	44.1
95.01271	6.4
96.95908	5.1
97.06484	4.6
99.00774	9.8
101.02334	35.1
108.02032	4.1
109.02834	6.1
113.02336	33.6
115.00291	2.9
119.03398	22.1
119.04952	4.2
121.02842	4.6
123.00755	4.6
123.04460	5.7
124.01534	4.0
125.02356	57.0
125.09599	2.7
129.01859	4.4
131.03349	3.1
135.04411	10.6
137.02338	8.0
139.03925	3.3
143.03435	5.2
149.02303	4.2
151.03906	6.6
151.07513	3.1
152.01064	6.3
153.01823	3.4
161.02339	6.8
161.04466	9.5
163.03969	4.2
165.01878	4.7
167.03400	6.9
169.01343	16.4
173.06009	2.5
173.40155	2.8
175.02412	2.9
175.03889	3.4
177.01807	5.3
179.05568	16.9
191.01889	3.7
195.06578	12.2
221.08148	8.5
234.39061	2.7
243.02956	3.0
247.06041	3.0
267.06970	3.0
289.07092	4.3
329.23489	3.0
331.96432	2.4
357.26486	18.2
399.12744	5.0
445.80780	2.5
519.31787	52.7
520.31750	6.9
535.23706	3.0
537.32684	4.2
550.54382	2.5
579.27930	21.4
580.29645	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	579.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98152	14.8
59.01249	81.5
61.98708	100.0
70.85923	13.6
71.01241	28.3
71.59247	33.5
72.36231	15.9
72.61877	14.5
72.99189	17.0
73.54009	18.5
74.08263	13.7
78.95778	26.4
85.02816	25.5
96.95918	29.8
114.62591	13.9
125.02339	47.5
137.02336	20.2
150.96611	14.4
161.04480	18.4
164.70370	15.1
165.09109	22.1
204.90450	14.6
209.08060	44.8
209.11812	22.2
235.02560	14.8
265.83972	16.5
337.14026	15.0
343.87909	17.5
348.45468	15.7
404.47745	15.9
579.30188	23.1
601.22473	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	579.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	3.7
61.98691	1.2
63.96102	1.1
69.03338	0.8
71.01250	7.1
73.02814	0.8
78.95779	4.4
78.98460	7.8
79.95606	11.6
80.96391	75.0
81.03324	1.2
85.02825	2.8
87.00764	3.5
94.97962	16.3
96.95891	6.4
97.02843	1.9
97.62786	0.6
101.02332	2.7
106.97987	3.4
117.03307	0.8
122.97465	4.4
125.02337	3.5
125.05952	0.8
127.03857	0.7
134.97469	5.9
136.99037	1.9
146.97478	0.6
148.99042	6.6
152.98505	5.5
161.58556	0.7
164.98546	10.9
165.09117	1.9
196.81059	0.6
206.99655	1.3
209.08150	7.4
209.11830	0.9
224.06821	1.2
225.00726	15.4
225.02945	0.8
233.08043	1.6
243.91803	0.8
279.23312	2.2
281.24841	16.6
299.04358	3.2
506.32565	9.5
579.28442	100.0
580.28796	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	579.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33346	0.5
53.46959	0.6
55.01757	0.7
57.02548	0.5
57.03312	1.8
57.86823	0.5
59.01251	8.5
64.76296	0.5
65.00222	0.9
68.99683	0.9
69.61176	2.6
69.61598	1.5
71.01251	5.0
72.99190	1.0
73.02810	0.9
75.00748	2.3
78.95761	0.5
80.52159	0.6
81.03341	0.9
83.01255	1.1
85.02814	4.7
87.00752	100.0
88.01080	1.1
89.02303	1.8
93.03342	0.9
95.01283	1.5
96.95876	1.7
98.19791	0.8
99.00751	1.2
101.02318	2.8
101.19321	0.5
102.50863	0.5
107.01276	1.3
107.04810	0.5
108.02074	0.8
109.02848	7.7
111.00761	1.1
113.02322	3.3
114.52607	0.5
118.99811	0.6
119.04903	0.7
121.02857	1.2
123.00773	1.7
123.04415	1.7
124.01509	0.8
125.02347	6.1
135.04384	1.4
137.02353	16.3
138.02872	0.7
139.03911	0.7
149.02356	2.4
150.03105	1.8
151.00285	12.2
151.03918	7.5
152.01065	1.2
152.04721	0.8
153.01842	1.3
161.02309	1.3
163.03893	0.6
164.04689	0.9
165.01842	8.9
165.05417	0.8
166.02637	34.3
167.03404	3.3
168.00504	1.1
169.01289	2.7
173.02286	0.6
174.03131	0.6
175.04036	1.7
176.01042	1.3
177.01833	2.0
177.05542	0.6
178.02513	0.6
179.03441	3.9
179.07014	0.6
181.04991	56.4
182.05365	2.5
189.01935	0.9
189.05516	0.7
190.02707	0.9
191.01860	0.7
191.03435	2.1
192.04102	0.7
193.04967	0.7
203.07091	0.7
205.05035	1.0
205.08562	1.0
207.02928	0.8
207.06569	1.9
255.03175	0.5
290.56049	0.7
301.03622	1.0
331.08255	7.6
332.08563	1.0
338.07797	0.7
363.03424	0.6
371.07623	0.8
371.15112	1.1
386.10065	1.0
387.10745	2.6
402.13202	3.1
417.15558	25.3
418.15912	2.6
431.07678	0.7
431.13327	0.8
443.13071	1.1
461.14584	12.3
462.14471	1.1
476.16824	4.2
491.19238	46.9
492.19467	6.1
504.16492	0.7
505.17249	2.6
519.31567	4.6
535.14581	5.2
537.32941	1.2
579.20636	12.3
579.28345	1.2
580.21234	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14050	0.4
54.47799	0.4
54.67192	0.4
56.47692	0.5
59.01248	100.0
60.01573	0.7
71.01255	1.3
72.74948	0.5
72.99165	0.6
83.01195	0.5
89.02299	0.4
91.13283	0.4
96.95892	1.4
98.20576	1.1
98.95481	0.7
98.96901	0.5
101.02252	0.4
113.02321	0.6
114.93304	1.2
119.04922	0.6
121.02844	0.9
125.02349	0.8
125.40699	0.5
137.02374	1.1
158.42793	0.5
163.03931	0.7
165.05357	0.5
175.03972	2.0
190.06285	0.6
195.06480	0.8
222.05261	0.9
227.03525	2.0
251.07152	0.7
253.08849	0.5
255.02951	3.0
263.07352	1.5
269.08243	1.4
276.69949	0.5
279.06564	1.3
281.08224	3.1
283.09714	0.6
284.03223	3.4
285.04129	1.7
291.06778	0.9
293.08188	1.2
294.09042	1.6
296.10425	0.8
297.07758	7.2
297.11133	0.9
308.10599	1.3
309.07761	13.1
309.11377	2.5
310.08203	1.3
312.10043	8.8
313.10666	1.1
323.09134	3.3
324.09985	9.9
325.10565	1.1
327.12357	38.9
328.12601	4.0
339.12338	34.4
340.12604	4.0
357.13705	0.5
375.14459	0.9
579.13885	2.6
579.22162	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92762	0.9
59.01244	3.3
68.99688	21.7
70.86918	2.5
74.00814	0.9
78.95782	1.8
90.04957	1.0
96.95898	1.5
97.69106	1.0
108.02054	28.1
109.02844	4.6
121.02824	2.0
122.03636	4.1
123.00767	11.0
123.04406	35.9
125.02323	1.7
132.02048	4.8
133.02809	2.9
134.03624	1.2
136.01520	1.8
138.03125	25.2
146.20699	1.1
147.04407	1.6
148.01544	1.7
150.03114	15.7
151.03850	0.9
160.01605	1.9
161.02336	9.0
162.03137	28.9
163.03917	10.0
165.05492	2.1
167.03418	1.2
175.03928	7.2
177.05484	40.3
178.02631	37.2
178.04228	1.6
178.05833	1.4
179.03313	3.1
185.07573	0.9
190.06290	2.1
193.04994	100.0
194.05371	5.0
210.06584	1.4
218.05823	16.4
222.05228	4.9
233.78726	1.0
238.06351	1.9
241.05020	1.2
250.06599	1.1
253.05023	1.2
254.05804	1.5
266.05960	5.2
270.08997	1.4
277.05176	2.3
278.05832	5.6
279.06311	1.1
281.04703	1.2
281.08102	1.9
282.05289	2.0
294.05328	2.5
297.07678	1.8
306.05402	7.1
306.08423	1.2
307.06036	4.6
309.04391	1.5
309.07690	1.6
310.04755	2.9
317.10150	1.2
320.06848	4.0
321.07660	20.7
322.04901	1.7
322.08340	6.1
324.06473	2.7
325.07208	15.6
326.07410	1.2
335.09348	2.1
336.09903	8.5
337.07132	14.1
337.10706	2.4
339.08624	5.5
340.09494	14.7
351.08902	1.3
352.09576	3.4
354.11011	10.4
355.11838	25.1
356.12271	2.6
367.11816	32.1
368.12155	3.1
384.12268	1.4
487.13855	1.5
519.16571	2.2
531.15955	1.6
549.17566	2.1
579.18585	26.6
580.18970	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	579.172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84051	0.5
55.01782	0.5
57.03320	2.8
59.01248	8.7
70.92995	1.3
71.01247	12.2
72.99196	2.8
73.02816	1.3
75.00308	0.8
75.00745	15.7
78.95780	1.2
83.01265	1.1
85.02827	10.4
87.00754	3.9
89.02328	2.2
95.01257	2.2
96.95901	2.2
96.96837	0.6
97.02837	0.8
99.00749	6.0
101.02318	2.3
101.96491	0.5
103.00281	0.8
112.12360	0.5
112.82233	0.7
113.02325	15.1
115.00237	1.4
117.01791	1.0
118.99084	0.5
124.01512	0.5
125.02316	1.4
129.01793	1.3
137.02338	1.0
143.03384	0.6
151.03935	0.7
157.01305	2.5
161.04553	0.9
161.83110	0.6
167.03455	0.7
175.02403	3.6
178.99794	1.1
181.06496	1.8
183.04282	0.6
197.06026	1.8
198.06844	2.5
225.05527	39.8
226.06288	12.9
231.15903	1.3
241.08667	100.0
242.08957	7.2
277.05750	1.0
337.07709	2.6
385.13058	0.7
435.20114	0.8
517.16608	1.2
519.31659	1.4
551.67383	0.6
561.16138	1.9
562.16681	0.6
579.17163	42.4
580.17432	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29940	0.5
55.01763	0.9
56.38438	0.5
57.03315	1.4
58.00456	0.7
59.01250	5.3
69.71507	3.3
71.01254	13.5
72.99184	4.0
73.02814	1.2
73.48686	0.4
74.02326	0.5
75.00747	15.1
83.01273	1.1
85.02822	11.7
87.00736	3.4
89.02304	1.9
95.01274	2.2
97.02851	0.6
97.11406	0.5
98.19855	0.5
98.93644	0.5
99.00760	7.4
101.02345	2.2
109.02852	0.5
111.00762	0.8
113.02335	11.5
115.00262	1.9
117.01829	0.7
119.03390	0.9
125.02338	1.5
129.01834	0.7
143.03400	1.2
157.01326	2.6
161.04471	1.3
166.41148	0.5
174.17819	0.6
175.02385	2.5
181.06427	0.7
197.06046	2.7
198.06752	6.7
201.03972	0.8
217.03519	0.9
225.03249	0.7
225.05518	16.5
226.06288	19.8
227.06699	1.5
241.08662	100.0
242.09015	6.2
255.02870	0.5
277.05643	2.1
337.07684	2.6
402.74545	0.5
517.17603	0.6
519.31726	0.7
561.15472	0.6
579.17163	32.5
580.17542	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1355
Annotation	Kaempferol 3-apiosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
57.03312	1.5
59.01257	5.3
63.02284	1.2
65.00195	1.0
69.30344	1.2
69.30766	4.1
71.00844	0.6
71.01256	9.1
72.99184	3.2
73.02818	1.1
75.00752	6.5
83.01258	1.3
83.86886	0.5
85.02830	7.2
87.00751	5.4
89.02309	1.4
89.62083	0.4
93.03332	0.8
95.01259	1.7
96.95863	0.5
97.02837	0.9
99.00745	2.6
101.02328	1.8
103.00256	0.9
107.01279	1.9
109.02793	0.7
111.00801	0.6
113.02332	5.5
115.00276	0.9
119.04906	0.5
121.02854	0.9
123.00699	0.8
124.01516	0.8
125.02336	4.8
129.01857	1.3
131.03404	0.8
132.02058	1.4
135.00751	1.3
135.04446	0.6
137.02365	0.6
141.06927	0.4
147.04459	0.5
148.01590	0.5
151.00284	3.8
152.01010	0.7
159.02945	0.7
163.00281	2.0
163.03946	0.6
164.01001	0.7
165.01917	0.6
165.03943	0.9
165.09090	1.2
167.03394	0.7
167.04868	0.8
169.01379	4.1
171.04488	0.9
175.02403	1.5
177.05476	0.9
178.99774	1.6
179.03329	0.7
181.05092	0.7
183.04413	1.7
185.06013	0.6
187.03932	1.2
191.01846	0.9
191.07050	0.9
193.03464	1.7
194.05945	0.5
199.03918	1.1
201.05412	0.6
207.02975	0.6
209.08133	4.5
211.03934	3.2
213.05492	0.7
215.03441	0.6
227.03456	52.9
228.03806	3.5
229.05011	3.7
239.03490	1.4
255.02974	88.1
256.03442	10.8
257.04593	2.5
283.02448	1.5
284.03268	100.0
285.03949	27.1
286.04297	1.0
327.05048	0.9
345.13477	1.8
371.13300	1.3
375.14371	1.4
403.09872	0.6
429.08279	1.4
438.07779	1.1
447.09256	2.0
449.71390	0.5
535.13593	0.5
561.21954	3.9
561.95294	0.5
562.22260	0.5
579.13586	64.8
579.22552	3.9
580.13904	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	578.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	15.4
70.22329	1.3
71.01235	0.6
78.36112	0.3
78.95775	5.6
79.95609	0.7
80.96386	4.9
82.95967	0.3
83.73714	0.3
94.97959	1.3
103.14602	0.2
105.58938	0.3
108.41820	0.2
111.86501	0.2
121.22607	0.3
122.97480	0.5
134.97409	0.6
152.98418	0.4
152.99564	1.5
163.98779	0.3
164.98515	0.7
168.04195	1.5
181.04759	0.2
181.92683	0.2
181.94443	0.3
182.65965	0.3
184.71985	0.2
185.93480	0.3
186.08652	0.3
209.08090	0.3
217.32230	0.2
224.06900	1.0
225.00745	0.8
226.00963	0.3
242.07932	2.5
260.59094	0.3
261.22385	0.4
279.23282	100.0
280.23660	9.0
325.78119	0.3
493.61304	0.3
504.30957	18.8
505.31210	3.4
578.27216	7.8
579.27100	1.5
609.63531	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1296
Annotation	Kayaflavone
Peak:m/z	Relative Intensity
56.02355	0.5
61.98695	1.6
71.58104	0.8
78.95794	0.9
83.74115	0.7
98.02330	0.4
126.20220	0.5
132.02061	1.2
154.02278	0.6
183.04427	1.0
195.04451	3.6
211.03961	3.3
215.15417	0.5
223.03943	1.2
232.52411	0.5
238.02782	0.7
239.03465	23.2
240.03825	1.3
254.05821	15.3
255.06181	1.1
266.02390	1.1
267.02930	8.1
268.03293	0.6
281.04462	0.5
282.05322	72.8
283.05637	6.3
297.07657	43.5
298.08093	4.0
311.77521	0.5
316.03827	1.0
317.04315	1.1
331.06119	8.0
332.06458	0.9
335.05725	3.5
345.03888	2.7
373.03549	6.1
374.04147	1.9
388.05911	22.8
389.06296	3.7
399.56396	0.7
403.08176	11.2
404.08087	1.2
434.07437	0.7
474.50400	0.6
477.09918	0.9
487.08179	0.7
489.06400	0.7
519.10931	2.2
521.08746	2.1
546.08887	0.7
549.07990	0.8
564.10413	1.7
579.12933	100.0
579.88940	0.7
580.13269	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	577.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29598	0.8
59.01252	18.0
67.41951	0.8
71.01263	2.5
71.22038	1.9
78.95780	1.6
89.02315	3.2
101.02322	3.3
113.10363	0.8
149.28876	1.0
161.04431	1.9
171.10181	1.3
209.11795	2.4
225.11259	3.5
235.08240	1.7
245.27885	1.0
253.09294	11.7
255.23364	0.8
268.29611	0.9
268.56812	0.7
281.24857	100.0
282.25223	9.2
293.21271	3.4
295.22748	3.1
405.83569	1.0
437.56644	0.8
577.37836	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57727	0.5
59.01255	11.4
71.01269	2.8
71.54956	1.3
73.02819	1.2
80.56393	0.5
82.80042	0.5
85.02810	0.9
89.02336	2.0
99.38937	0.6
101.02335	2.5
106.27689	0.5
113.02319	1.8
119.03354	0.9
125.09669	0.6
161.04457	0.9
228.44563	0.6
235.08238	2.1
253.09286	13.1
281.24860	100.0
282.25238	10.2
284.71609	0.6
299.07352	0.6
316.00888	0.6
342.04703	0.5
403.19016	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	24.9
59.16833	0.2
60.01585	0.4
71.38995	0.6
78.95779	23.5
79.95687	0.3
80.96384	0.9
96.95869	0.5
96.96843	0.5
106.20015	0.3
122.98398	0.6
134.98482	0.3
152.99490	3.4
168.04243	3.6
209.08249	0.5
224.06889	9.9
225.07147	0.4
242.07893	2.3
257.77396	0.3
261.22250	0.3
265.14706	0.5
272.97089	0.3
279.23297	100.0
280.23611	9.9
504.30978	53.2
505.31293	7.8
562.39105	0.3
578.27466	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49136	0.6
54.68076	0.6
54.72863	0.8
59.01252	15.3
62.94108	0.7
70.09158	0.7
70.88431	1.9
71.01247	3.1
89.02317	2.2
89.12254	0.6
101.02314	3.1
113.02329	1.9
119.03391	1.3
161.04460	1.3
184.61273	0.8
190.77873	0.7
209.11798	1.7
211.13380	3.7
235.08244	1.5
253.09264	10.0
254.09622	0.9
281.24860	100.0
282.25211	10.3
293.21295	2.1
295.22845	0.8
299.04355	1.9
333.15924	0.8
483.71445	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63020	0.3
57.03321	0.7
58.54794	0.3
59.01252	5.9
59.75137	0.3
63.02280	0.4
63.41225	0.3
65.00198	1.0
71.01264	0.6
71.14073	0.3
78.95786	6.7
79.95634	0.5
79.97792	0.3
80.96394	3.1
81.03331	6.2
83.01270	1.1
94.97960	0.7
95.01271	0.4
97.02856	0.7
99.08036	1.4
101.05989	1.0
107.01261	0.6
119.53310	0.3
121.02856	0.3
123.08056	2.8
124.01481	0.4
125.02346	6.0
125.05991	6.3
127.07494	0.5
135.04445	0.4
136.05238	0.9
137.02451	0.3
137.05962	0.4
141.09113	1.0
147.08044	1.0
149.02319	1.0
150.06725	0.4
151.00256	0.8
152.01038	1.0
152.99519	0.7
164.98531	0.7
165.09131	36.6
166.09438	1.6
167.07036	0.5
168.04247	0.9
175.00322	0.5
179.07076	0.4
191.07059	1.0
193.08665	0.8
205.08641	1.1
209.08141	100.0
210.08479	5.1
215.07153	1.2
221.08258	0.5
223.09721	2.1
224.06822	1.9
225.00673	0.5
225.07155	0.5
233.08156	22.9
234.08542	1.8
236.79784	0.3
242.08018	0.6
251.09213	9.1
252.09557	0.6
263.09247	2.1
273.58359	0.3
275.09354	0.9
277.21725	12.6
278.22070	10.2
278.24994	0.6
279.22192	0.4
280.36749	0.3
361.76062	0.3
495.76062	0.3
502.29437	4.0
503.29767	8.4
504.30942	0.3
559.25854	0.4
577.17358	0.5
577.26666	11.0
578.27002	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81606	0.7
57.96901	0.7
58.87363	0.7
59.01243	1.7
63.96120	1.1
69.03316	0.7
69.40975	6.7
71.01253	8.0
73.02803	2.1
74.71176	0.6
77.78580	0.5
78.95761	1.6
78.98465	8.2
79.95609	12.2
80.96391	80.6
81.03336	0.7
83.01254	1.0
84.03342	0.7
85.02814	3.5
87.00743	2.2
94.97377	1.2
94.97964	19.9
96.95915	2.0
97.02837	1.5
101.02290	3.4
106.97990	4.6
106.98576	0.7
113.02350	0.9
122.97453	5.5
125.02328	3.2
127.03883	0.7
132.22295	0.7
134.97470	4.5
136.99019	1.5
137.27267	0.7
148.99045	6.1
152.98495	7.3
152.99496	0.8
164.98546	11.5
167.00093	0.8
182.99585	1.9
206.99608	3.2
225.00685	16.2
226.01112	0.8
243.01788	1.7
261.74371	0.7
277.21756	2.5
299.04260	4.1
577.26849	100.0
578.27161	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	577.269
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.5
59.01258	3.4
60.29192	0.4
61.98706	7.9
63.96107	1.9
69.03319	0.9
71.01259	8.2
72.99181	0.4
73.02838	2.2
73.23795	0.3
78.95776	0.5
78.98466	7.8
79.95607	12.5
80.96395	82.9
81.03336	1.0
83.01282	0.4
85.02827	3.4
87.00752	3.6
94.97968	17.9
96.95893	1.3
97.02837	2.1
99.00768	0.8
101.02322	2.4
106.97986	3.4
109.02847	0.5
113.02345	0.5
121.02855	1.3
121.64818	0.4
122.97491	3.6
125.02344	3.5
127.03867	0.9
132.54506	0.4
134.97475	6.5
136.99034	1.7
146.97495	0.5
148.99048	7.2
152.98544	6.6
164.98558	13.4
167.00121	0.6
193.05042	1.0
206.99628	2.6
209.11798	1.0
211.13509	0.5
225.00714	14.3
225.11290	0.5
277.21710	1.8
278.22012	0.4
279.23318	16.5
293.21411	0.7
299.04401	3.2
402.61594	0.4
504.31085	3.5
577.26892	100.0
578.27191	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	577.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63020	0.3
57.03321	0.7
58.54794	0.3
59.01252	5.9
59.75137	0.3
63.02280	0.4
63.41225	0.3
65.00198	1.0
71.01264	0.6
71.14073	0.3
78.95786	6.7
79.95634	0.5
79.97792	0.3
80.96394	3.1
81.03331	6.2
83.01270	1.1
94.97960	0.7
95.01271	0.4
97.02856	0.7
99.08036	1.4
101.05989	1.0
107.01261	0.6
119.53310	0.3
121.02856	0.3
123.08056	2.8
124.01481	0.4
125.02346	6.0
125.05991	6.3
127.07494	0.5
135.04445	0.4
136.05238	0.9
137.02451	0.3
137.05962	0.4
141.09113	1.0
147.08044	1.0
149.02319	1.0
150.06725	0.4
151.00256	0.8
152.01038	1.0
152.99519	0.7
164.98531	0.7
165.09131	36.6
166.09438	1.6
167.07036	0.5
168.04247	0.9
175.00322	0.5
179.07076	0.4
191.07059	1.0
193.08665	0.8
205.08641	1.1
209.08141	100.0
210.08479	5.1
215.07153	1.2
221.08258	0.5
223.09721	2.1
224.06822	1.9
225.00673	0.5
225.07155	0.5
233.08156	22.9
234.08542	1.8
236.79784	0.3
242.08018	0.6
251.09213	9.1
252.09557	0.6
263.09247	2.1
273.58359	0.3
275.09354	0.9
277.21725	12.6
278.22070	10.2
278.24994	0.6
279.22192	0.4
280.36749	0.3
361.76062	0.3
495.76062	0.3
502.29437	4.0
503.29767	8.4
504.30942	0.3
559.25854	0.4
577.17358	0.5
577.26666	11.0
578.27002	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.229
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00454	1.0
59.01252	46.7
60.01573	1.2
70.22580	3.6
71.01255	20.6
73.02823	19.9
75.00738	1.4
78.95771	2.1
83.01254	7.3
83.02384	2.2
85.02834	3.4
87.00737	1.7
89.02314	6.5
95.01279	1.4
98.20531	1.5
99.00722	1.2
101.02325	23.3
113.02337	11.7
119.03376	2.0
125.02346	2.8
131.03407	2.4
135.04413	16.1
143.03372	4.0
146.03607	1.2
149.04449	3.5
149.05695	0.9
155.03436	1.2
161.04483	5.7
161.05833	0.9
163.03926	100.0
164.04269	6.5
169.01346	1.0
178.06284	77.4
179.06818	6.6
193.08641	91.1
194.08990	5.2
201.96690	1.1
221.06328	1.3
221.08412	1.2
249.43744	1.2
308.08649	1.0
323.11447	1.8
341.12415	3.6
392.92099	1.0
533.27521	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77104	1.2
55.01758	10.3
57.03308	4.0
58.00454	2.6
59.01254	67.3
69.97650	6.8
71.01257	45.6
71.01659	2.1
72.99188	7.5
73.02814	4.0
73.61810	1.4
74.02364	1.5
75.00751	66.2
76.01015	1.2
79.95606	2.8
80.62701	1.3
83.01260	3.9
85.02826	19.0
87.00754	4.8
89.02322	39.7
93.03329	1.4
95.01257	3.8
96.95891	80.5
99.00751	3.1
99.04395	5.8
101.02328	24.1
109.02832	2.3
111.04396	2.1
113.02334	21.2
119.03401	16.1
125.02328	7.0
128.03467	1.5
129.01846	13.6
134.03566	1.5
134.55035	1.6
135.04465	1.4
137.02304	2.4
143.03421	3.5
147.02911	7.9
151.00227	2.4
152.01091	1.4
161.02354	1.4
161.04407	3.7
161.13281	13.9
163.03854	1.4
165.03964	100.0
166.04347	3.2
169.01329	3.0
177.01820	1.4
179.05583	7.9
187.11243	6.0
193.01408	1.7
193.03346	2.1
193.05009	2.4
205.12283	46.7
206.12621	2.6
224.04723	2.1
239.07059	8.9
243.09209	2.3
249.11314	47.9
250.11569	3.1
256.03644	1.4
267.07175	4.1
269.04492	3.9
289.06802	1.5
300.02637	1.4
308.25424	1.5
329.14105	2.7
360.13428	2.8
379.14124	1.6
391.09000	1.6
397.15131	11.0
401.12421	1.9
407.07654	5.0
429.17676	34.0
430.17950	4.9
517.30212	6.2
535.31378	3.6
559.20557	3.2
577.21344	78.2
577.28229	3.8
578.21649	14.6
581.29535	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88985	1.9
55.01749	3.3
57.03324	11.4
59.01253	93.4
63.77680	1.7
69.03309	1.8
70.77520	3.4
71.01252	39.9
72.99184	7.4
73.02818	9.8
75.00753	44.1
83.01263	5.2
85.02825	49.7
87.00743	14.2
89.02308	7.3
93.03339	3.9
95.01283	4.6
96.95892	4.8
97.02806	3.2
99.00774	17.1
101.02345	11.3
109.02791	1.7
111.00775	2.3
113.02329	48.9
115.00245	3.1
125.02334	7.3
137.02327	5.1
151.00217	4.3
161.04416	4.9
169.01289	3.3
175.02359	5.2
178.99754	10.6
179.24020	1.8
182.90286	1.7
241.05147	1.8
263.34851	1.7
283.06442	3.4
315.17953	2.3
331.05945	1.8
357.86319	1.9
377.06729	2.5
425.08823	2.7
429.21234	4.1
457.28177	3.3
517.30414	2.3
533.22394	100.0
534.22632	16.8
577.32776	32.8
578.32739	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	577.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01737	3.1
55.03923	1.5
57.03325	12.8
58.00437	1.6
59.01255	100.0
60.35468	1.5
61.98679	1.6
67.01752	2.2
67.24240	1.6
69.03312	2.2
70.23711	1.5
70.89372	3.1
70.89693	1.9
71.01259	55.2
72.99184	9.8
72.99500	2.1
73.02828	9.1
75.00748	53.9
81.03275	2.2
83.01255	10.1
85.02826	59.4
86.03145	2.2
87.00767	16.2
89.01831	2.4
89.02321	28.8
95.01225	4.6
96.95862	7.1
97.02747	2.5
99.00769	21.3
101.02317	18.3
109.02812	2.7
111.00687	3.4
113.02338	56.0
115.00233	3.5
117.01751	2.9
119.03345	5.5
121.02785	2.3
125.02356	17.6
129.01779	2.1
131.03345	2.8
133.02806	2.2
135.04356	2.5
137.02309	5.4
149.04381	2.3
149.05977	2.2
151.03824	1.6
157.01274	3.6
161.02322	2.1
161.04381	2.1
163.03877	2.1
165.01804	2.2
167.03328	2.5
168.16052	1.5
169.01245	4.0
175.02319	4.8
178.99644	2.6
179.05472	3.1
180.59306	1.6
202.71823	1.8
223.04294	1.6
243.02721	1.9
269.04382	1.9
289.06967	5.4
302.64752	1.6
379.07950	1.9
429.21014	2.6
517.29675	5.7
533.22406	96.4
534.22687	14.9
577.28064	63.8
578.28290	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	577.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07519	1.6
55.01762	3.2
57.03317	11.2
59.01256	57.7
63.85517	1.4
69.03304	2.3
71.01254	45.8
71.60265	2.3
72.99192	10.4
73.02837	8.8
75.00360	3.0
75.00750	45.6
83.01262	4.8
85.02824	53.4
87.00757	16.3
89.02299	5.4
91.43171	1.6
93.03329	1.9
95.01273	9.1
97.02802	2.7
99.00755	20.2
101.02306	11.6
103.00259	3.4
103.75816	1.7
111.00767	3.6
113.02337	59.9
115.00240	5.3
117.01830	3.2
119.03323	2.3
125.02329	6.8
129.01801	2.5
135.04364	2.6
137.02336	6.2
145.22841	1.5
151.00334	1.6
151.35391	1.5
157.01233	1.8
161.04454	2.9
169.01251	2.2
175.02441	8.4
178.99751	5.5
211.13397	1.9
219.32481	1.7
224.32515	1.6
286.16061	1.9
315.39258	1.7
327.21881	2.5
329.06610	4.5
355.24887	2.4
377.07135	3.5
429.21198	3.3
517.30243	3.9
533.22418	100.0
534.22778	16.5
577.28650	69.6
578.29138	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1358
Annotation	hypocrellin D
Peak:m/z	Relative Intensity
55.57879	0.9
57.03312	1.6
59.01260	13.0
59.99200	0.9
61.98692	2.2
64.06860	0.9
69.38221	2.0
69.38621	7.9
71.01250	6.4
72.99183	1.3
73.02814	2.0
75.00745	2.2
78.95778	3.8
83.01247	3.0
85.02832	5.8
87.00760	1.6
89.02312	2.0
95.01308	1.4
99.00786	1.2
101.02340	4.2
109.02865	1.1
111.00779	1.1
113.02322	3.7
119.04945	1.1
121.02856	1.1
125.02338	7.1
129.01788	1.0
135.04424	1.3
137.02296	1.8
151.03929	2.3
151.07578	1.3
160.05154	0.8
161.02405	1.0
161.04401	1.7
163.03929	5.2
163.42360	0.9
165.01813	1.2
165.09064	0.9
169.01324	1.5
177.01988	0.9
178.06279	3.3
189.05469	1.8
193.08571	2.0
195.06560	3.3
199.03986	1.1
201.05551	1.6
203.03438	2.0
204.04262	1.4
209.08176	1.2
215.03481	1.9
217.05060	5.0
219.06560	1.1
227.03506	2.2
229.04971	1.3
231.02945	1.0
243.02959	3.1
245.04486	5.1
257.00769	1.8
257.04623	1.2
259.02225	0.9
259.05905	1.8
269.04449	1.0
272.03137	1.3
273.03873	1.5
273.07687	1.1
285.03986	1.3
287.05710	10.3
288.06262	2.1
289.07144	10.7
315.04755	1.4
329.08267	1.0
343.09402	1.0
344.06714	1.3
346.08566	1.1
356.06958	1.1
359.09296	1.5
364.64618	1.0
370.04773	1.1
371.09280	1.4
373.07056	2.2
374.07880	1.2
375.08765	1.9
381.07669	1.8
382.08606	1.5
383.05594	1.2
383.11313	2.0
385.07175	2.1
388.09473	1.3
397.07266	1.9
399.08658	3.5
401.10333	1.2
409.06729	1.4
410.08081	1.6
411.08694	1.2
415.08093	1.6
416.09152	1.3
417.09787	2.4
427.08325	3.2
428.09549	1.4
429.10156	1.0
441.09821	1.5
443.11737	1.5
447.10953	2.6
450.77570	1.0
457.09531	1.1
459.10916	3.0
469.09351	2.2
470.09656	1.6
471.10815	2.2
482.10016	1.6
487.09943	5.8
488.10941	2.1
491.13437	7.2
513.11993	2.5
515.09662	1.5
517.30365	1.5
531.13074	8.5
532.13434	1.5
533.11670	1.1
541.10840	1.5
559.12512	25.5
560.12659	4.7
577.13562	100.0
578.13916	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	577.156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.8
59.01246	4.7
71.01247	4.6
71.44288	1.2
72.99181	28.6
73.02812	1.8
82.90522	0.6
83.01299	0.8
85.02827	2.7
86.37774	0.5
89.02315	1.1
93.03333	54.1
94.03680	1.4
96.95911	0.7
97.02840	0.7
97.30305	0.5
99.00746	1.1
101.02328	2.2
108.02003	0.5
109.02840	0.8
113.02341	4.3
117.03359	1.3
119.04913	100.0
120.05247	4.2
120.87774	0.5
121.02856	1.4
123.00864	0.6
123.04422	1.0
125.02338	5.1
131.03401	0.5
132.05756	0.6
134.03639	2.8
135.04427	1.1
137.02342	58.0
138.02661	1.7
145.02849	5.1
147.04390	1.3
149.02383	1.0
149.05960	0.9
151.00256	1.4
151.03909	1.4
160.05153	0.5
161.02388	1.1
161.04570	0.5
161.05959	0.6
162.03101	2.2
163.03914	68.9
164.04248	3.4
167.03481	0.6
169.01323	1.6
173.02370	1.1
175.03963	0.9
175.07605	0.6
177.01869	1.2
178.02573	1.1
178.99753	3.9
189.01837	1.1
190.02682	2.9
191.03450	5.0
192.03786	0.5
193.05006	5.6
201.05437	0.8
205.04901	0.7
219.02966	9.0
219.06523	0.6
221.08168	0.7
243.02847	1.0
260.39520	0.5
263.01852	2.8
264.02475	0.6
268.78311	0.6
269.04529	0.5
277.07144	2.1
283.06509	0.5
289.07184	0.6
293.04916	0.6
295.06100	0.7
298.08527	0.7
305.03125	2.4
307.08298	1.1
310.08511	0.7
325.10507	0.9
335.03998	0.8
337.10605	0.7
340.09756	1.0
343.11743	2.2
355.11816	3.0
365.05109	2.2
373.12955	0.9
393.05414	0.5
407.06827	2.7
439.12408	15.0
440.12662	1.9
457.13501	18.8
458.13879	2.2
498.88782	0.6
517.29993	1.0
577.08063	9.2
577.15796	16.2
578.08453	1.8
578.16528	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	577.1354
Annotation	Kaempferol 3-(2-(E)-p-coumarylrhamnoside)
Peak:m/z	Relative Intensity
53.86253	0.6
55.01763	1.6
57.03326	14.7
58.00467	0.8
59.01253	29.3
69.03332	2.9
69.98044	2.7
71.01260	16.7
72.99194	1.7
73.02811	5.2
75.00748	16.6
81.03343	2.6
83.01255	6.3
85.02828	5.5
87.00764	1.6
89.02324	12.9
89.03886	0.6
93.03328	1.5
95.01284	2.1
95.04910	1.9
96.13747	0.6
96.95902	2.1
97.02825	4.0
98.14848	0.6
99.00748	0.9
99.04403	1.0
101.02332	7.8
101.50898	0.7
107.04938	0.7
108.02077	1.2
109.02843	15.5
113.02333	7.6
113.77304	0.6
117.03436	0.8
119.03403	4.3
121.02827	3.6
122.03616	1.0
123.00816	1.0
123.04424	11.4
125.02350	100.0
126.02698	3.2
129.01823	2.5
129.70190	0.6
131.03387	0.7
131.04903	0.8
133.02869	3.3
135.04433	2.0
137.02354	19.8
139.03946	2.2
143.03429	1.3
143.04842	0.7
145.02789	0.7
145.72801	0.7
146.03647	1.2
147.02917	1.0
147.04471	0.7
149.02333	4.5
149.04419	1.0
151.03912	9.8
159.04454	2.1
160.05272	0.8
161.02373	23.7
161.04529	1.5
161.05919	3.0
161.13333	1.2
162.03137	3.1
163.00287	1.6
163.03961	2.9
164.01086	3.3
165.01942	4.1
165.03978	26.7
166.04173	0.7
166.15648	0.7
167.03381	0.9
173.05969	1.2
175.03940	9.2
175.07466	0.9
177.01910	5.0
177.05635	0.8
179.03433	3.3
179.05577	3.1
185.00838	1.6
187.03983	6.1
188.04720	2.1
189.01970	0.6
199.04010	0.8
201.05492	0.8
202.06221	1.9
203.03473	1.5
203.07077	8.2
205.01448	1.7
205.05028	5.9
205.12273	4.0
211.04015	1.0
215.03539	1.8
217.04990	1.4
221.08156	1.2
227.03424	1.2
227.07048	1.1
229.04947	3.4
231.02956	0.8
243.02972	1.6
243.06699	1.0
245.04642	3.4
245.08173	8.7
246.08473	1.0
247.06126	1.7
249.11273	2.3
253.04958	1.0
255.02959	5.9
256.03702	3.5
257.04385	0.9
269.04608	1.7
273.04080	4.2
281.04547	2.2
282.01889	0.9
282.05148	0.7
283.02402	0.9
285.04044	2.2
287.05649	6.3
288.02597	0.7
289.07199	54.0
290.07516	4.7
297.04224	0.9
299.05573	4.7
329.06650	1.1
339.08743	3.7
381.09897	1.8
407.07721	39.2
408.07959	3.2
425.08832	12.2
426.09299	1.6
429.17761	1.6
451.10449	7.8
452.11020	0.9
517.26477	6.3
535.27637	4.2
577.13385	3.7
577.21521	10.2
578.22144	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	15.1
57.75484	1.2
61.77006	1.3
69.42680	7.8
69.43084	3.9
76.04668	1.3
81.03307	2.1
83.01258	4.9
93.03356	1.9
95.04897	2.9
97.02813	4.0
107.04908	1.7
109.02841	19.9
121.02811	3.2
123.04401	15.2
125.02341	100.0
126.02659	2.1
133.02843	4.1
135.04425	2.3
137.02345	23.1
139.03865	4.3
145.02921	1.4
149.02333	5.1
151.03914	12.5
159.04419	5.2
161.02348	27.2
161.05916	3.9
162.03009	1.8
163.00307	1.4
163.03888	4.2
164.01091	2.1
165.01828	4.9
173.05942	2.0
175.03922	10.3
177.01894	5.5
179.03470	3.1
187.03914	8.1
188.04721	3.1
201.05493	1.4
203.03429	1.7
203.07111	7.0
205.01312	2.7
205.04994	8.7
215.03456	2.0
217.05103	2.1
221.08241	1.5
227.03412	1.8
228.04205	2.9
229.05080	2.4
239.03409	1.8
243.02992	1.6
245.04526	5.3
245.08119	11.1
255.02934	10.5
256.03662	4.1
271.06039	1.8
273.03952	4.2
281.04504	3.0
285.04147	2.5
287.05594	4.8
289.07199	64.6
290.07535	4.9
299.05573	5.6
313.33246	1.5
339.08582	4.1
361.70911	1.6
381.09772	2.9
407.07693	61.2
408.07965	8.2
425.08807	16.8
426.09164	2.6
451.10461	10.8
577.13379	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	577.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27652	1.6
57.03324	14.6
59.01249	3.9
71.01288	1.6
81.03326	3.5
83.01261	5.3
85.02831	2.4
89.03898	1.6
93.03359	1.7
96.89816	1.3
97.02840	4.1
108.02065	2.1
109.02835	21.9
118.17420	1.3
121.02834	2.8
122.34824	1.4
123.04417	16.5
125.02330	100.0
126.02650	3.6
133.02859	6.2
135.04454	3.5
137.02353	21.7
139.03888	4.1
147.04359	1.9
149.02330	4.3
151.03899	15.5
159.04443	5.0
161.02332	27.3
161.06021	4.6
162.03047	2.3
163.00299	3.6
163.03934	4.1
164.01060	4.0
165.01840	5.3
167.03412	2.6
169.01340	1.9
175.03940	10.2
177.01837	6.9
177.05602	1.5
178.02411	1.5
179.03423	4.9
187.03925	9.1
188.04623	4.0
189.05450	1.6
201.05510	3.3
202.06207	2.5
203.03467	1.9
203.07082	9.8
205.01402	2.4
205.05037	7.3
215.03467	2.0
217.04999	1.9
224.05385	1.6
229.04976	4.2
243.02850	2.1
245.04431	4.9
245.08165	11.7
247.06035	1.8
253.04924	1.7
255.02948	9.8
256.03674	3.8
257.04370	3.0
271.06128	2.3
273.04013	4.9
281.04562	3.8
283.02563	1.6
283.62796	1.9
285.04034	4.8
287.05508	7.4
289.07184	55.5
290.07538	2.9
299.05527	4.8
339.08725	2.5
401.10568	2.5
407.07684	56.7
408.08008	6.4
425.08765	14.3
426.09122	2.4
451.10291	9.7
577.13995	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	577.1354
Annotation	Procyanidin B6
Peak:m/z	Relative Intensity
57.03315	12.3
68.16151	3.4
69.42772	26.4
69.43195	6.7
97.02827	6.6
109.02823	23.6
121.02871	6.2
123.04411	16.4
125.02338	100.0
126.02704	5.5
130.27429	3.3
133.02936	4.3
133.05046	5.2
137.02354	18.0
139.03928	5.3
147.04419	3.7
149.02307	7.6
151.03909	16.2
152.04285	4.0
161.02344	26.5
163.03917	4.3
165.01920	6.6
170.81853	3.9
175.03922	10.7
177.01868	5.2
179.03398	5.9
187.03909	3.9
188.04691	5.7
203.07124	6.9
205.05049	7.1
229.05241	3.6
238.51180	3.5
243.03171	3.4
245.08133	14.8
253.48276	3.2
255.02943	7.2
273.04074	6.5
285.03979	3.9
287.05673	7.0
289.07208	76.3
299.05762	6.1
381.10245	3.7
407.07681	62.0
408.08112	10.6
425.08774	16.2
437.32568	3.6
568.85083	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	577.1351
Annotation	Kaempferol 3-(2-(E)-p-coumarylrhamnoside)
Peak:m/z	Relative Intensity
57.03328	9.2
69.03309	0.8
69.24583	6.6
81.03340	1.6
83.01252	4.4
84.79093	0.5
93.03346	1.6
95.04910	1.8
96.95901	3.0
97.02843	3.4
107.01285	0.9
107.04924	1.7
108.02055	1.1
109.02842	16.7
110.03210	0.7
118.82845	0.5
119.04953	0.7
121.02844	2.6
123.00788	0.5
123.04410	11.3
125.02338	75.3
126.02691	2.2
131.04933	1.5
133.02859	3.5
135.04416	1.6
137.02341	13.1
138.03098	0.7
139.03896	2.6
142.67702	0.5
143.04877	0.7
145.02870	1.8
147.04391	1.1
149.02385	4.0
149.05966	1.0
150.03104	1.5
151.00229	0.6
151.03909	11.1
159.04436	3.4
160.05205	0.9
161.02354	17.2
161.06018	3.7
162.03047	2.0
163.00226	1.1
163.03946	3.0
164.01089	3.3
165.01822	3.4
167.03372	1.3
169.01358	1.6
173.05986	0.7
174.03114	0.7
175.03923	12.9
175.07565	0.6
176.04274	0.7
177.01852	11.8
178.02388	1.1
178.99745	1.3
179.03392	2.5
183.04474	1.1
185.06006	1.2
187.03928	7.4
188.04666	2.5
189.05458	1.1
190.02638	0.6
191.03427	0.8
193.05014	0.9
199.03935	3.3
201.05531	1.5
203.03464	1.2
203.07114	5.5
204.03691	0.5
205.01476	0.7
205.05005	3.9
211.03972	2.7
212.04674	0.7
213.05540	2.2
214.02649	0.8
215.03413	1.9
217.05054	3.3
219.02879	1.7
221.08112	0.9
225.05327	0.6
227.03435	3.4
227.07059	1.5
228.04169	2.6
229.04997	3.2
230.05615	1.0
231.02885	0.7
231.06491	0.7
239.03381	0.7
241.05101	1.0
242.02223	0.6
243.02953	10.4
244.03459	0.8
245.04448	2.2
245.08119	7.2
246.04533	0.6
247.06120	1.0
253.05019	1.4
255.02972	19.0
256.03699	10.0
257.04462	3.1
267.03067	0.6
269.04605	3.2
273.04108	3.5
281.04639	3.6
282.01651	0.9
283.02621	3.8
284.02966	0.8
285.04044	5.7
287.05609	5.3
288.02814	0.8
289.07187	47.9
290.07410	3.5
297.04044	2.1
297.07339	1.0
299.05573	3.1
321.07648	1.1
329.06607	0.9
339.08688	3.6
363.08588	1.3
365.61057	0.6
381.05447	0.6
381.09702	3.6
389.06744	7.5
390.07202	0.8
407.07697	100.0
408.08020	13.1
409.09341	0.7
410.10150	0.7
425.08722	8.5
451.10376	7.1
452.10791	0.9
559.12329	1.0
577.13538	3.6
578.14081	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.4
57.03317	3.0
59.01255	12.2
63.02272	10.0
65.00195	5.2
67.01768	0.4
69.03325	0.7
69.46159	3.3
71.01258	6.0
72.99184	1.3
73.02821	1.1
75.00743	4.2
81.03320	0.5
83.01262	7.9
83.04926	0.6
85.02830	6.2
85.03296	0.7
87.00756	1.5
89.02321	1.9
93.03348	0.5
95.01291	1.3
95.04919	0.4
96.95889	1.6
97.02837	0.6
99.00768	1.9
99.04404	0.6
101.02277	2.2
107.01282	14.9
108.01631	0.4
109.02853	1.4
113.02341	4.4
114.02667	0.5
121.02817	0.6
123.04401	1.1
125.01427	0.8
125.02343	14.3
126.02679	0.7
129.01810	0.4
134.03662	0.8
135.04430	0.4
137.01410	0.5
137.02368	5.3
145.02844	0.5
149.02324	1.0
149.04378	0.4
149.06007	0.4
150.03078	0.5
151.00279	34.1
151.03920	1.5
152.00681	0.9
152.17361	0.4
153.01839	1.1
157.06471	0.7
159.04402	0.9
161.02377	0.5
161.04608	0.5
163.00319	1.0
163.03909	0.5
164.01019	1.0
165.01837	1.1
167.03412	1.9
169.01346	16.2
169.02791	0.9
170.01675	0.7
173.05984	2.5
177.01839	1.0
178.99791	100.0
180.00130	4.4
181.01286	1.0
183.04517	0.5
185.07239	4.2
187.03943	0.5
189.05470	1.5
193.05023	0.8
197.02353	0.8
197.06044	0.5
199.03952	0.6
201.05507	8.4
202.06018	0.7
205.05067	0.6
211.03923	1.3
212.04854	0.6
213.05542	4.8
214.02652	1.0
215.03452	3.6
216.04124	0.6
217.05054	0.7
223.04237	0.5
225.05530	1.2
226.02715	0.5
229.05008	8.2
230.05600	1.0
231.06644	1.9
239.03461	0.6
240.04259	0.5
241.05038	12.6
242.02104	1.0
242.05606	0.8
242.09329	1.4
243.02861	0.9
251.03453	0.5
253.05130	1.0
255.03008	0.6
257.04550	3.7
258.05231	0.5
259.06100	3.0
267.03018	1.9
269.04550	0.5
270.01630	0.5
271.06204	0.8
285.04132	1.7
289.07324	0.5
295.02515	5.0
307.02399	0.5
313.03580	1.3
313.07285	1.3
351.91495	0.4
371.15158	1.2
375.05344	0.7
379.08310	0.5
393.06635	0.8
395.07562	0.8
397.09335	3.0
398.09686	0.4
403.04730	0.9
415.14127	2.6
423.07214	0.5
439.06653	0.8
440.44574	0.4
451.06622	2.9
517.13580	0.6
517.30127	0.8
530.05139	0.4
533.22900	0.6
559.08746	1.0
576.27527	4.7
577.08960	1.9
577.28680	6.7
578.09888	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91360	0.4
52.90501	0.4
54.48766	0.4
57.03333	2.9
59.01247	2.6
63.02270	10.1
65.00196	5.2
67.52466	0.5
69.62472	3.6
71.01259	0.8
75.00756	0.7
81.03310	0.6
83.01256	6.2
85.02824	0.6
87.41929	0.4
89.02332	0.5
98.20549	0.9
101.02345	0.6
105.64268	0.5
107.01268	12.8
108.01612	0.6
109.02841	1.1
113.02329	0.7
125.02337	11.0
126.38277	0.4
137.02339	5.0
151.00276	35.1
151.03886	0.9
152.00574	1.1
153.01845	0.7
163.00272	0.6
164.01027	0.5
165.01830	1.3
167.03372	1.4
169.01337	10.2
173.06015	1.5
177.01891	0.9
178.99780	100.0
180.00111	4.1
181.01321	1.4
183.04459	0.6
185.05850	0.5
188.04726	0.9
189.05502	1.7
197.02289	1.1
198.03036	0.6
201.05492	6.9
202.05928	0.5
203.06927	0.5
211.03970	1.8
213.05475	4.5
214.02538	0.5
215.03395	2.7
215.07205	0.5
216.04242	0.7
225.05484	1.1
227.03397	0.9
229.05002	7.1
230.05559	1.1
231.06622	1.6
239.03539	0.9
241.05005	10.3
241.08720	0.7
242.05266	0.7
243.03062	0.9
253.04956	0.7
257.04547	4.0
259.06088	3.0
265.29953	0.5
267.02960	1.2
269.04788	0.6
271.05844	0.5
279.06488	0.6
281.04962	0.5
285.04028	0.9
295.02493	4.7
313.03564	1.2
319.05997	0.7
337.03632	0.5
338.02945	0.4
350.50375	0.5
375.05139	1.0
377.06769	0.5
397.09250	2.9
403.04260	0.6
421.05884	0.6
433.05624	0.6
438.53061	0.4
439.06866	1.3
451.06628	3.5
559.08838	2.0
560.10217	0.6
577.09747	4.0
577.32184	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71798	0.4
59.01252	2.0
60.01577	0.4
61.98704	100.0
69.95687	2.2
71.01254	2.8
73.02841	0.5
78.98477	1.5
79.95612	3.0
80.96391	20.9
85.02827	0.9
87.00753	0.8
89.02312	0.7
92.40885	0.4
94.29708	0.4
94.97958	4.8
96.95895	0.4
101.02325	1.0
102.94635	0.4
103.92571	0.5
106.97973	0.7
118.17539	0.4
122.97488	0.8
125.02372	0.6
128.94984	0.4
134.97417	0.9
148.99071	1.8
152.98604	1.3
164.98586	3.1
177.49881	0.4
209.11844	0.5
220.97598	0.4
225.00717	4.1
253.09236	0.4
255.09900	0.9
277.21698	3.2
278.22076	5.3
279.22369	3.0
280.22690	1.8
299.04474	1.1
300.70392	0.4
369.55374	0.4
391.02383	0.4
577.26862	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	20.5
63.33582	0.2
71.01263	0.3
71.58602	0.2
77.30593	0.3
78.95779	7.5
89.74818	0.3
91.52363	0.2
91.94481	0.3
98.19837	0.6
108.66251	0.2
152.99510	1.7
162.96115	0.3
164.24539	0.3
168.04204	1.8
177.18163	0.3
224.06897	0.8
242.07993	3.3
250.93552	0.3
259.20526	0.5
277.21722	100.0
278.22086	7.8
313.84140	0.3
376.52463	0.3
502.29425	23.8
503.29584	3.7
559.96979	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26852	0.5
59.01253	26.4
62.86021	0.6
65.00198	0.7
69.03339	0.7
70.01979	2.5
78.95777	23.8
79.95609	0.7
80.96399	2.7
81.03329	3.4
83.48116	0.5
91.78812	0.6
94.97977	0.8
99.08012	0.8
123.08028	2.1
125.02357	2.9
125.05980	2.4
149.02380	0.8
151.00366	0.8
152.01099	0.7
152.99519	3.8
165.09122	22.6
168.04195	4.7
191.07024	0.8
193.08548	0.8
209.08141	68.7
215.07298	0.6
222.09021	0.6
223.09642	1.6
224.04893	0.8
224.06908	11.3
233.08154	17.9
242.08032	3.4
251.09209	6.5
259.20633	0.9
263.09232	1.8
274.00528	0.7
275.20068	0.7
276.12659	0.6
277.21722	100.0
278.22055	8.2
286.25470	0.6
406.30359	0.7
502.29407	64.9
503.29764	9.5
577.26758	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	575.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.4
58.37672	0.5
59.01250	14.1
63.53122	0.4
71.01250	2.9
71.07459	0.8
73.02804	0.4
78.95770	0.8
79.59675	0.5
85.02821	0.9
87.00755	0.5
89.02322	2.5
101.02325	3.4
113.02318	1.0
119.03421	1.2
152.99496	0.4
161.04482	1.0
184.77434	0.4
209.63507	0.4
235.08170	1.8
253.09259	13.7
254.09657	0.5
279.23279	100.0
279.81418	0.5
280.23651	7.3
496.34085	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85956	0.3
59.01255	0.9
61.98703	100.0
70.35609	1.1
73.92419	0.4
76.37872	0.3
81.61004	0.3
92.45493	0.3
112.16598	0.3
181.26222	0.3
209.11722	0.4
211.74739	0.3
253.09254	0.3
254.09862	0.5
255.09740	0.6
255.84271	0.4
277.21744	2.8
278.22095	4.1
279.22330	2.9
280.22714	1.4
379.61581	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79965	2.0
59.01251	100.0
59.67095	2.2
61.98707	3.3
67.01756	2.4
69.95610	2.1
70.15206	9.0
78.95783	7.8
83.04896	4.9
95.01305	2.3
99.13515	2.1
131.90916	2.0
143.75441	2.2
152.99509	3.3
157.68034	2.2
180.28691	2.6
249.78825	2.1
262.86789	2.5
337.37878	2.5
497.29086	58.4
498.29443	13.1
515.30200	5.0
531.29822	6.0
557.30743	3.8
575.32269	10.6
576.32806	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	575.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21120	0.7
59.00948	0.9
59.01251	13.4
69.42428	0.7
71.01254	2.0
71.58028	1.0
71.58421	0.9
78.95775	8.2
89.02309	2.3
91.39756	0.7
96.95895	2.2
99.56731	0.7
101.02327	1.7
108.02069	1.5
113.02345	1.4
119.03430	0.9
149.97411	0.7
152.01062	0.9
152.99503	2.3
161.04453	1.4
171.10211	0.9
209.11761	1.0
217.30327	0.7
219.99782	0.9
235.08237	1.5
252.99696	2.1
253.09264	15.2
279.23285	100.0
280.23691	7.8
339.41357	0.8
515.23132	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17571	0.5
53.08611	0.6
55.01747	1.5
57.03326	5.2
57.27526	0.6
58.00462	1.3
59.01252	24.3
61.98687	1.1
68.99671	0.8
69.03302	1.3
71.01254	33.4
71.53586	1.2
72.01595	0.8
72.99187	6.1
73.02824	4.1
75.00750	28.5
78.95775	1.5
81.03304	0.7
83.01256	3.7
85.02824	31.1
87.00745	10.3
89.02316	9.6
93.03296	0.8
94.06810	0.7
95.01276	3.8
97.02812	2.1
97.84225	0.6
99.00758	9.4
101.02322	8.5
103.00265	1.1
109.02884	0.7
111.00761	1.4
113.02335	31.7
114.02637	0.8
115.00237	2.3
117.01817	2.5
119.03368	2.4
123.04427	0.7
125.02369	3.3
129.01863	1.5
131.03423	3.4
137.02361	1.1
143.03357	0.9
146.51993	0.7
149.02342	0.7
152.99529	0.7
157.01312	1.6
171.48816	0.6
173.04506	5.2
175.02397	5.0
179.05647	0.7
191.05540	1.0
193.03445	1.3
209.11768	1.4
211.13353	0.7
215.05540	0.7
224.39891	0.7
230.39088	0.6
232.03534	0.7
315.05084	3.9
316.05270	0.6
316.09583	0.6
318.40866	0.7
408.83160	0.7
557.26306	0.7
575.27087	100.0
576.27380	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	575.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09639	2.3
59.01257	31.6
61.98700	23.8
69.40083	23.5
71.01257	39.5
73.02815	14.8
75.00744	2.9
77.71798	2.5
78.95786	4.7
83.01273	3.6
85.02824	18.1
87.00726	3.3
87.26262	2.8
89.02315	13.6
95.01266	3.4
96.95885	5.6
97.02853	2.2
98.20538	4.9
99.00766	5.1
101.02322	27.0
106.91357	3.0
113.02350	15.8
119.03398	3.1
125.02361	4.8
149.04436	2.4
152.79285	2.1
159.02846	3.8
161.04486	14.0
198.53677	2.1
209.11768	5.7
211.13222	2.5
294.03583	2.9
332.80728	2.6
383.24487	17.8
384.24948	3.2
515.28601	100.0
516.28894	12.6
517.94714	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22093	0.6
55.01747	2.2
56.60380	0.7
57.03325	6.2
59.01252	23.7
59.47034	0.7
65.43581	0.7
69.03321	1.0
71.01259	26.7
71.53506	1.3
72.99184	4.3
73.02834	4.7
75.00748	28.3
83.01267	5.5
83.99326	0.8
85.02829	33.7
87.00755	8.8
89.02325	4.5
90.59512	0.7
95.01266	5.1
96.95906	0.8
97.02833	0.9
99.00766	9.5
101.02322	6.9
111.00765	6.1
113.02341	30.2
114.02634	0.9
115.00240	2.8
117.01822	1.5
125.02284	1.9
129.01825	2.7
131.03281	0.9
157.01303	1.7
159.02953	1.8
161.04454	2.0
175.02403	4.3
335.06183	4.2
362.87900	0.9
456.25253	1.0
505.52481	0.8
531.27710	0.8
537.27759	0.9
575.26978	100.0
576.27246	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.9
57.03319	4.3
58.00463	1.4
59.01253	20.4
60.01588	0.6
66.92468	0.7
68.99701	1.2
69.03321	1.5
71.01260	29.5
71.01662	1.4
72.99184	5.6
73.02827	3.7
75.00750	24.6
78.95781	1.0
83.01259	4.5
84.02026	1.0
85.02827	30.0
86.03161	0.7
87.00747	9.6
89.02330	7.9
95.01273	3.5
96.95895	0.6
97.02818	1.9
99.00769	8.2
101.02316	8.0
111.00745	1.5
113.02333	30.6
114.02658	0.8
115.00264	2.6
117.01817	2.7
119.03410	2.0
121.02838	0.7
125.02312	3.6
129.01828	0.8
131.03391	1.2
137.02403	1.3
151.00262	1.6
157.01337	1.2
161.02449	1.1
161.04553	0.7
169.01421	1.0
173.04454	2.5
175.02423	4.5
191.05623	0.7
205.04938	0.7
205.08627	2.1
209.11784	1.3
301.03482	3.6
315.05090	1.7
394.78662	0.7
399.10706	5.1
400.11218	1.7
413.16031	4.7
414.16223	0.8
557.26025	0.9
575.27039	100.0
576.27283	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	575.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.9
57.03328	4.6
59.01257	13.3
67.01761	0.7
68.99675	0.9
69.03341	1.0
69.41061	4.8
71.01260	23.3
72.01612	0.5
72.99187	4.8
73.02817	3.6
73.87257	0.5
75.00752	22.1
82.64680	0.5
83.01258	3.8
85.02830	28.8
87.00758	6.3
89.02328	4.0
95.01266	3.7
96.95925	0.8
97.02822	1.2
99.00761	8.0
100.39906	0.5
101.02327	5.6
103.00232	0.8
104.72781	0.6
108.02043	4.8
109.02841	1.6
111.00777	4.0
111.63848	0.5
113.02337	25.0
115.00269	1.6
116.01035	0.5
117.01795	1.5
119.03360	1.0
125.02320	2.0
129.01833	1.7
131.03442	0.6
135.61339	0.5
137.02359	0.9
152.01071	5.9
153.01799	0.6
157.01353	0.9
173.04587	0.5
175.02422	3.2
177.01921	0.7
179.51700	0.5
283.05731	0.5
335.06192	2.5
335.73114	0.5
355.63913	0.5
413.15961	1.2
575.16766	4.8
575.27087	100.0
576.18079	0.6
576.27393	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	575.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98617	0.8
55.01747	2.5
57.03328	10.5
58.00445	1.2
59.01250	23.0
68.99680	0.7
69.03330	1.4
69.70669	5.6
71.01255	29.6
72.99184	7.0
73.02811	5.4
75.00750	26.4
83.01254	5.8
84.02030	0.8
85.02823	33.6
86.03114	0.8
87.00757	9.8
89.02310	6.5
90.24203	0.7
92.42720	0.8
95.01266	4.2
96.95881	1.1
97.02808	1.1
98.20493	1.5
99.00756	11.3
101.02332	7.3
103.00250	1.5
109.02798	2.0
111.00765	2.5
113.02332	31.1
115.00244	3.3
117.01817	1.9
119.03356	2.6
119.04937	1.3
123.04440	0.9
125.02340	18.0
129.01833	1.6
137.02295	2.2
142.68335	0.7
157.01292	2.3
161.02405	0.9
161.04510	0.8
163.00281	0.9
163.03789	1.0
164.65114	0.7
165.01793	1.0
169.01308	1.5
173.04390	1.1
175.02464	4.4
177.01814	0.9
181.04962	1.7
218.16685	0.9
229.04932	0.8
243.06557	1.1
244.07236	1.5
260.21887	0.8
271.06082	1.1
272.06912	1.3
286.00989	0.9
287.09259	4.2
299.45227	0.7
335.06216	1.2
346.26688	0.9
399.23523	0.8
499.25754	0.9
508.18274	0.8
554.04535	0.9
556.56653	0.9
575.27032	100.0
576.27423	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	575.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	1.2
59.01250	6.9
59.34177	0.6
65.71479	0.6
67.01735	0.7
69.03332	0.7
69.49914	5.7
71.01255	4.0
72.99163	0.9
73.02822	1.1
75.00735	2.3
78.54889	0.7
80.02546	0.8
81.03333	6.8
83.01261	3.7
83.04946	0.6
85.02827	4.2
87.00753	1.2
89.02299	1.0
93.03339	1.3
95.01283	1.2
95.04907	9.2
97.02845	4.1
99.00766	0.8
99.04379	2.1
99.08022	2.8
101.02308	1.2
101.05955	2.6
107.01255	0.9
109.02912	0.9
113.02334	3.4
119.04954	1.1
121.02869	1.2
122.03604	2.2
123.04392	4.1
123.08050	2.3
125.01436	1.4
125.02344	24.7
125.05979	10.2
126.02613	0.9
129.01830	0.6
135.04366	0.8
135.08148	0.6
137.02325	1.5
139.03926	1.1
141.09109	1.9
145.02837	1.1
149.02353	2.0
151.00308	1.3
151.03867	0.6
161.04546	0.7
161.09610	0.7
163.03894	2.0
163.07521	1.3
164.04814	0.7
164.08403	1.7
165.01936	1.3
165.09134	5.0
166.02666	2.5
167.03423	19.6
167.07016	2.5
167.79761	0.8
177.09119	0.7
178.06288	0.7
179.03410	0.8
179.10727	10.6
181.08627	1.7
183.10197	2.4
189.09259	1.0
190.02625	0.7
191.03456	2.3
193.01262	0.6
205.08609	1.8
207.06609	1.3
207.10234	5.2
209.08144	7.5
219.09895	0.7
221.08168	7.5
222.08878	1.9
223.09712	2.5
229.08681	1.0
232.34387	0.7
233.08168	13.3
234.08586	1.0
235.09747	2.0
245.08104	0.9
247.09758	2.6
248.06909	2.1
249.07568	2.3
250.08386	1.3
251.09239	100.0
252.09531	6.3
263.09201	8.1
265.10535	0.7
275.09265	28.8
276.09586	2.2
281.05521	0.9
281.10367	3.4
287.09082	0.6
293.10309	4.5
305.10370	2.1
317.10422	0.7
335.11377	1.0
353.12509	2.8
358.71069	0.6
362.14334	0.7
395.13531	1.7
413.14532	80.5
414.14886	9.1
443.15680	4.4
444.16309	0.8
575.19885	1.4
575.27484	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	575.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	10.6
58.00478	2.2
58.62265	1.7
58.68268	1.9
58.68605	1.9
59.01252	100.0
67.01783	3.1
67.50057	2.0
68.99690	2.1
69.03332	2.0
69.28014	2.2
70.92687	6.4
71.01255	52.5
72.01592	1.9
72.99181	12.2
73.02837	7.4
75.00748	31.5
78.95781	15.5
79.67227	1.7
81.03349	2.3
83.01250	5.6
83.04891	2.5
85.02828	79.3
87.00755	18.2
89.02312	19.4
93.03374	2.2
95.01268	12.0
96.95894	19.6
96.96854	2.8
97.02850	3.6
99.00758	20.4
101.02340	11.5
103.00251	5.2
109.02850	4.0
111.00722	1.9
113.02333	54.1
115.00289	3.1
117.01813	3.9
119.03410	4.2
121.02867	4.4
123.04399	4.5
125.02335	20.8
129.01816	2.1
131.03444	3.0
137.02367	3.1
139.00314	2.4
149.02345	2.3
149.04460	3.6
151.03906	4.3
152.99469	15.8
157.01430	2.8
161.02315	2.8
161.04515	2.4
162.06767	15.4
163.11139	2.6
165.05495	2.4
169.01311	2.2
175.02435	4.0
175.07625	2.6
177.09081	2.4
182.87247	2.2
193.03445	7.4
199.03911	2.2
205.07059	4.4
209.11784	24.9
221.08170	11.0
223.00012	3.5
241.01134	5.5
249.06161	28.8
267.07224	89.1
268.07513	3.9
281.10391	2.3
285.04037	3.6
289.07434	3.0
291.07169	12.7
309.08237	32.0
335.06277	18.5
471.15067	72.9
472.15451	8.1
531.16840	3.3
575.13861	2.1
575.21289	19.4
576.21484	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1192
Annotation	Robinetinidol-(2beta->7,4beta->8)-catechin
Peak:m/z	Relative Intensity
52.02430	1.4
57.03331	10.9
59.01265	7.2
71.01263	4.4
72.99187	2.0
75.00758	3.6
79.44971	1.4
81.03338	4.2
83.01251	7.7
83.69463	1.6
85.02827	5.6
85.09560	1.3
89.02328	3.7
91.82323	1.3
93.03352	5.4
95.01269	3.0
95.04895	2.8
96.13479	1.4
96.95889	7.3
97.02847	5.5
101.02412	1.6
109.02846	26.9
111.00758	2.1
113.02319	4.9
119.01266	2.3
121.02860	12.7
122.03626	2.5
123.00734	2.2
123.04426	16.9
124.01579	3.1
125.02348	81.9
126.02666	2.9
133.02863	2.0
135.00806	3.5
135.04434	2.2
137.02338	25.5
139.03912	4.0
145.02831	3.4
147.00772	6.0
147.04416	5.1
148.01595	1.7
149.02344	14.7
150.03117	3.4
151.00276	3.4
151.03932	11.1
153.01828	1.7
158.03581	1.5
159.04425	5.6
160.01575	2.2
161.02356	19.3
161.05997	4.1
161.66830	2.0
162.02985	2.4
163.00269	36.4
163.03920	3.7
164.01079	9.9
165.01904	13.8
165.05415	3.2
167.03366	2.2
171.04439	5.4
173.02301	1.7
173.06009	2.8
174.03142	3.1
175.00299	1.7
175.03902	17.1
175.07500	2.5
176.01004	7.8
177.01826	18.0
178.99698	2.8
179.03394	2.3
183.04419	2.1
185.05980	2.5
187.03932	9.8
188.04694	3.4
189.01781	2.2
189.05542	3.2
191.03404	2.4
197.06039	3.1
199.04018	8.4
201.01897	5.6
201.05551	5.3
203.03474	5.3
203.07047	7.3
204.00641	1.5
205.01424	3.3
205.04980	6.7
211.04004	3.3
213.05531	6.8
215.03468	5.5
216.21454	1.6
217.05028	11.4
221.08029	2.0
225.05528	3.1
227.03493	6.1
227.07008	1.8
229.04977	5.1
239.07027	1.9
240.04060	2.4
241.05095	10.4
242.02176	3.2
243.03032	10.1
243.06586	2.1
245.04445	3.3
245.08125	10.8
253.05013	5.5
255.02988	11.2
256.03647	5.2
257.04520	12.1
259.02490	2.0
267.02917	2.4
267.07330	2.2
268.03693	2.0
269.04541	7.3
271.02524	2.9
272.03384	2.8
273.03937	2.0
281.04495	3.0
283.02533	5.0
283.06039	3.9
284.03214	2.8
285.04044	100.0
286.04364	7.4
287.02206	2.8
287.05576	8.6
288.05981	2.2
289.07181	54.3
290.07559	2.9
297.04077	7.3
299.02118	2.0
300.02740	3.2
301.03418	5.4
301.06888	1.8
307.06122	11.9
309.04160	6.2
313.03415	3.6
315.01596	2.5
319.06073	3.0
323.05539	1.7
327.05054	10.3
333.88791	1.5
344.04395	1.6
354.02582	2.3
387.05035	6.0
388.05884	3.6
403.38394	1.5
407.07706	18.0
408.08429	3.0
411.07248	8.2
423.07184	34.5
424.07712	4.9
435.07172	3.7
447.07031	7.4
449.08774	50.2
450.09088	6.6
452.07489	12.5
453.08081	5.7
471.10980	3.2
539.09882	17.2
540.10156	3.3
557.11359	3.4
575.11847	40.7
575.26575	4.9
576.11798	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	2.5
58.48728	0.8
59.01254	15.2
62.66272	0.9
68.24527	0.8
69.93572	1.8
69.94000	3.1
71.01254	10.9
71.01616	1.2
72.99174	1.9
73.02841	1.6
75.00739	6.7
75.01112	0.9
78.95780	12.1
79.95602	3.2
81.03336	1.2
83.01262	2.2
85.02818	9.7
86.51012	0.8
87.00749	2.8
88.03895	1.7
89.02316	3.5
95.01305	2.0
96.95893	100.0
96.96812	15.1
97.02800	1.2
98.02346	1.2
98.20417	0.9
99.00771	2.6
101.02324	3.3
109.02823	2.8
111.00778	1.1
113.02333	7.7
115.00227	0.9
119.04853	0.8
121.02811	0.8
123.04397	1.5
125.02343	14.5
126.90309	0.8
132.02948	1.5
137.02319	2.9
142.81921	0.8
151.00276	2.0
151.03862	1.2
152.99500	1.1
161.02370	1.0
161.04552	0.8
163.03848	0.9
165.01817	0.9
169.01338	10.3
175.02376	1.4
175.03807	1.0
177.01816	0.9
192.04280	1.0
203.07077	1.2
205.04967	1.5
207.06639	0.8
209.08144	0.9
209.11780	2.2
211.13371	1.4
217.05083	0.9
245.08087	2.1
271.06073	1.2
285.03952	1.0
289.07278	4.0
300.02591	1.8
301.03665	2.1
315.05115	3.8
315.12292	1.0
359.10376	0.8
387.14374	5.7
398.06955	1.0
399.10889	3.4
413.09161	5.2
413.16010	3.3
441.08176	1.0
515.28186	1.3
539.15399	2.6
575.13507	2.0
575.26819	24.3
576.27014	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.14
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.9
57.03328	3.3
59.01254	37.2
65.00199	2.0
65.43087	1.2
69.03327	3.7
70.72968	1.3
71.01257	40.2
71.60011	2.3
72.99175	7.0
73.02800	7.0
75.00753	17.8
76.44310	1.2
81.03326	2.6
83.01255	6.8
85.02827	18.1
87.00751	6.6
88.03917	3.2
89.02319	29.8
93.03362	1.6
95.01280	3.4
97.02857	5.2
99.00763	11.7
101.02311	8.7
103.00273	3.3
107.01279	3.5
108.02048	10.4
109.02847	11.0
111.00819	2.7
111.99866	1.2
113.02327	18.9
113.03050	1.5
113.39650	1.2
115.00280	1.9
115.03945	1.6
117.01783	1.9
119.03426	1.4
119.04910	1.9
121.02837	4.3
123.00786	1.8
123.04432	2.2
124.01575	2.8
125.02351	23.0
129.01808	2.4
131.03459	3.4
132.02905	2.1
135.00780	3.5
135.04451	3.1
137.02394	4.1
145.02907	1.7
149.02322	6.9
149.04491	3.9
151.00273	11.3
151.03905	2.1
152.01079	18.6
153.01884	9.4
158.56223	1.2
161.05873	1.4
164.01186	1.4
164.04704	7.4
165.01817	2.7
165.03981	10.5
165.05324	2.0
167.03496	2.0
169.01378	4.3
175.02435	3.4
175.03827	1.8
178.99792	4.1
183.36037	1.6
186.53075	1.3
191.05518	4.4
196.03738	6.9
199.03955	2.0
215.03548	1.5
219.10226	48.1
220.10478	3.8
227.03453	4.9
233.06592	11.6
243.02962	5.4
243.06656	2.1
247.80536	1.5
255.02971	4.9
257.04413	1.4
271.02472	18.0
271.05365	1.5
272.03000	1.9
286.06549	1.5
293.08786	28.3
299.01993	18.6
300.02710	41.6
301.03259	5.2
362.16748	2.0
363.17230	1.6
369.09705	2.8
397.09265	34.0
398.09567	4.1
429.10385	100.0
430.10703	11.3
447.11459	4.7
572.27985	2.8
573.14124	5.2
573.25568	32.7
574.26392	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44136	0.8
57.03318	5.2
59.01255	13.4
61.75637	0.9
63.02277	8.8
65.00199	10.7
66.97076	0.9
71.01260	9.1
71.59972	1.3
72.99186	2.8
75.00740	3.5
83.01262	11.5
85.02820	9.1
87.00750	2.1
89.02313	3.9
95.01283	2.5
99.00758	2.9
101.02341	1.4
103.00236	1.0
107.01274	25.3
109.02834	2.6
111.00757	1.4
113.02336	10.0
115.00253	1.2
117.75089	0.9
119.03366	1.0
119.04916	2.0
121.02875	1.2
123.00753	2.1
124.01537	1.8
125.02335	19.3
126.02690	1.1
137.02342	3.6
137.05878	1.0
141.01810	1.0
146.03601	1.3
147.04430	0.9
149.02339	2.0
150.03146	1.4
151.00281	75.6
152.00955	4.3
153.01888	4.5
153.51126	1.0
159.04407	0.9
161.02356	1.3
161.05989	1.5
163.00317	0.9
165.01909	1.3
165.05560	1.6
166.02585	1.1
167.03246	0.9
169.01334	17.9
173.05966	2.3
175.02451	2.1
175.03868	1.6
177.01862	2.2
178.99791	100.0
180.00183	4.2
181.01257	1.3
181.04889	1.9
187.04028	1.4
189.05482	1.7
190.02727	1.3
193.03435	1.6
194.78452	0.9
197.05951	1.1
199.07567	1.8
200.04663	2.7
209.08116	1.4
214.02594	1.0
215.07085	12.4
216.07771	1.1
217.08743	4.6
227.07156	2.2
232.03748	0.9
233.16838	1.0
242.02315	1.1
243.02972	2.0
243.06723	2.1
245.08234	1.2
249.05948	1.3
253.04999	2.6
255.02798	4.7
267.07025	1.2
268.07471	1.0
271.02579	9.6
271.05649	6.8
299.01950	1.8
300.02753	19.5
301.03168	3.1
311.02011	1.0
361.07184	1.7
361.16617	1.1
369.09888	1.1
379.08252	6.2
397.09277	81.8
398.09570	10.5
573.12299	20.3
573.25671	9.4
574.12775	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	573.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.7
56.96017	0.6
57.03330	5.2
59.01257	12.6
63.02271	10.1
65.00195	10.3
65.55893	0.6
65.87358	0.7
66.44628	0.6
69.03330	0.7
71.01253	10.3
71.60759	1.0
72.99190	2.5
73.02811	2.4
75.00759	3.7
81.03316	0.8
83.01265	13.1
83.04874	0.7
84.49551	0.7
85.02827	8.2
87.00753	2.6
89.02322	3.0
95.01274	2.2
96.95882	0.8
99.00763	3.1
101.02319	3.0
103.00255	1.7
107.01276	20.4
109.02845	2.6
113.02336	9.0
115.00250	1.1
117.01840	0.8
119.03345	0.9
119.04940	1.9
121.02841	1.0
122.48640	0.7
124.01594	1.7
125.02351	18.1
126.02656	1.0
129.01923	0.8
133.02837	1.0
137.02330	3.3
145.02914	1.0
146.03680	1.0
149.00807	0.8
151.00282	74.0
152.00911	3.0
153.01822	3.9
157.06451	0.7
159.04355	1.6
161.02379	1.1
163.00262	1.2
163.03860	1.0
164.00893	0.8
165.01883	1.4
166.70795	0.6
169.01338	18.4
170.01706	1.1
171.04562	0.8
173.05942	3.5
175.02438	2.0
175.03914	1.0
177.01880	3.3
178.99789	100.0
179.90497	0.7
180.00113	5.3
181.01408	1.1
187.03955	1.1
187.07596	1.3
188.04649	1.4
189.05432	1.1
190.02655	1.4
192.00546	0.9
193.01410	2.1
193.03490	2.2
197.05966	0.8
199.07588	2.8
200.04781	2.4
201.05540	1.0
202.06197	0.7
205.01613	0.8
215.07091	11.2
217.08638	4.9
225.05534	2.1
227.03465	0.9
227.07161	2.6
232.03603	1.4
243.02957	3.1
243.06599	1.2
253.05017	3.1
254.05655	1.0
255.02953	6.1
257.04492	0.7
269.04593	0.9
270.21555	0.8
271.02515	10.6
271.06082	6.4
272.02899	1.2
272.06366	0.9
285.04099	1.2
293.04483	0.8
299.02100	1.5
300.02771	18.5
301.03290	1.5
311.08914	1.0
313.87476	0.8
336.06424	1.4
351.08783	1.0
353.49139	0.7
361.07193	2.7
374.35846	0.7
379.08261	10.1
380.08481	1.1
397.09290	78.0
398.09576	8.9
573.12408	12.9
573.25385	7.2
574.12878	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	573.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.4
58.88594	0.9
59.01251	11.6
61.98706	1.5
63.02247	0.9
63.33680	0.8
66.74347	0.9
69.33603	8.1
71.01254	12.1
72.99191	2.1
78.05117	0.8
78.95782	1.9
83.01254	2.6
85.02829	8.1
87.00763	3.0
88.03922	2.7
89.02316	2.2
95.01275	1.8
96.95946	1.0
99.00758	3.1
101.02322	2.6
103.00233	1.5
107.01261	3.5
108.02053	2.0
109.02857	0.9
111.00743	0.9
113.02341	8.7
115.00227	1.9
122.03580	1.0
123.00809	1.0
124.01572	1.7
125.02369	5.3
132.02922	5.6
134.03661	1.7
137.02325	1.5
148.01546	1.5
150.03104	1.0
151.00291	8.1
152.01064	1.3
152.99467	0.9
163.00278	1.2
166.37926	1.0
169.01360	2.7
175.02393	3.0
175.03781	0.9
178.99835	2.0
190.07411	0.9
199.03928	1.0
203.03391	1.2
205.04942	0.9
215.03470	1.3
216.04283	0.9
226.02591	1.6
227.03448	3.4
243.02946	9.2
244.03638	1.9
254.02251	2.4
255.02975	15.3
256.03494	1.7
267.07043	1.0
271.02490	39.0
272.03030	4.8
283.02423	1.1
284.03259	2.0
299.01987	12.9
299.70898	1.1
300.02747	100.0
301.03094	8.4
314.04510	1.1
335.14392	1.1
368.09244	1.3
397.09286	44.4
398.09503	4.8
411.10794	5.4
475.19412	0.8
476.06076	2.7
555.23706	1.1
572.28735	1.9
573.25342	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2888
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
51.06039	0.5
62.96257	0.5
78.95778	69.7
96.96841	15.4
111.90191	0.4
111.90997	0.5
127.54877	0.4
150.97908	0.8
152.99492	63.2
153.99844	1.0
171.00574	0.8
171.82318	0.5
223.00081	1.4
229.73734	0.7
241.01155	31.7
242.01640	0.7
255.23274	72.5
256.23587	5.1
259.02286	0.9
265.05429	0.6
315.04883	10.2
391.22571	6.2
392.22946	0.5
454.33801	0.6
505.58676	0.5
571.28888	100.0
572.20740	1.0
572.29272	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	572.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11727	5.4
58.00470	7.4
59.01250	100.0
66.84972	5.9
71.01259	74.2
71.58376	5.9
71.58881	10.0
72.99162	11.2
74.18955	6.2
85.02822	10.6
89.02318	75.0
101.02341	58.9
113.02336	26.1
119.03403	30.3
131.03413	10.4
140.59830	7.2
156.17996	6.7
161.04442	13.2
179.05475	15.5
232.84114	6.0
350.27036	11.0
512.32288	76.4
513.32227	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	571.109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44236	3.5
58.02837	9.2
59.01248	34.4
71.57741	6.8
87.80477	4.0
96.95878	38.3
114.63052	3.9
119.04907	3.8
125.02351	17.7
137.02330	7.0
147.03275	8.5
147.04413	100.0
148.04782	6.5
164.07056	19.7
165.05479	87.9
165.06927	6.6
165.07434	4.1
166.05824	4.0
169.01337	13.0
178.60771	3.8
191.03337	4.1
191.05138	3.5
193.01320	29.0
206.08128	39.9
207.06555	47.3
207.08501	26.6
301.03488	4.4
321.02441	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	571.289
Annotation	Unknow
Peak:m/z	Relative Intensity
65.44960	0.7
72.82755	0.8
76.68441	0.7
78.95779	73.7
96.96262	1.2
96.96846	15.8
98.19803	1.3
134.98384	0.7
150.97905	1.4
152.99500	71.4
171.00613	0.6
203.27000	0.6
223.00146	1.7
224.96275	0.7
241.01173	35.2
242.01434	1.2
245.14803	0.6
252.93576	0.6
255.23285	82.5
256.23639	7.9
259.02206	0.6
315.04974	11.4
354.57260	0.7
391.22574	5.8
392.22864	1.0
406.60074	0.9
571.28882	100.0
572.20868	1.0
572.29285	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	570.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31462	0.6
59.01245	1.9
59.23404	0.6
61.98702	100.0
71.01265	1.0
75.22496	0.6
78.45989	0.7
121.02836	2.9
145.02850	1.1
163.03867	0.8
195.06506	0.6
255.03069	2.1
256.03412	2.3
257.03992	1.0
283.02402	1.8
284.03131	2.8
285.03839	1.6
286.04413	1.4
309.49081	0.7
342.00784	0.8
353.06607	0.9
383.85977	0.9
432.78683	0.7
457.09079	1.2
469.43039	0.7
483.07214	0.8
507.30112	1.2
545.11102	2.3
571.08618	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	570.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.9
61.98703	100.0
69.60971	2.7
69.61407	2.5
71.01273	0.8
85.02849	1.2
125.02381	0.8
137.74031	0.7
152.88068	0.7
177.47243	0.6
195.06671	1.6
196.06839	0.9
200.56969	0.7
234.46254	0.7
301.11093	0.7
540.10522	1.0
555.13043	1.1
556.13519	1.3
570.14972	2.0
571.16150	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	571.0851
Annotation	dimeric 9-hydroxyrubrofusarin-fuscofusarin
Peak:m/z	Relative Intensity
59.01255	3.1
66.47205	1.7
71.57835	3.1
75.02246	2.5
78.95760	4.2
84.32005	1.8
96.95867	2.1
104.91292	1.9
108.34196	1.9
121.02845	67.4
122.03144	2.3
125.02308	5.0
131.77507	2.3
161.02124	6.5
165.43590	1.8
169.01361	6.1
181.06531	5.3
187.00040	16.1
197.06064	9.1
202.83438	2.0
205.01108	10.1
223.03908	2.9
225.05583	6.2
251.03391	7.1
251.07147	2.7
265.04819	12.9
285.07590	2.4
286.76389	2.1
295.06039	9.4
309.03833	1.9
309.07373	3.9
313.07285	7.5
341.08044	3.0
353.06354	17.0
354.07077	2.6
369.07501	8.1
379.04300	17.4
380.04721	3.8
397.05585	2.7
423.07214	2.6
429.09607	3.9
457.09024	22.1
458.09277	3.2
483.06839	16.7
484.07840	3.3
545.10706	49.6
546.11066	8.8
571.08557	100.0
572.08679	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12150	2.7
59.01247	100.0
71.01254	49.7
71.57661	5.6
72.60648	3.5
73.02453	3.2
73.02809	24.1
78.95770	6.2
83.01241	9.8
85.02805	14.5
89.02300	18.9
91.86668	2.9
93.03349	3.9
95.01222	8.3
101.02317	23.2
113.02329	29.8
119.03429	5.7
121.02827	6.7
122.02377	4.7
122.03549	3.2
125.02319	7.9
128.07080	5.6
137.02316	4.0
139.00273	3.3
151.00250	8.6
161.04485	6.5
164.35918	3.3
165.05368	7.6
169.01317	7.5
178.99780	15.7
194.99213	8.3
291.20422	3.5
291.23743	3.2
304.19211	17.9
361.16528	15.6
457.16806	3.4
466.24451	34.6
467.24731	5.4
484.25662	10.5
485.25513	4.4
489.69144	3.6
526.26300	3.9
536.99036	3.2
549.55402	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	569.3
Annotation	LRRK2-IN-1
Peak:m/z	Relative Intensity
59.01250	1.0
63.96101	1.0
69.83476	0.7
70.62457	0.7
71.01254	7.3
73.02821	2.1
78.98463	7.2
79.95618	11.1
80.96394	70.0
81.60577	0.8
85.02821	2.7
85.32307	0.8
87.00751	3.0
94.97962	16.2
96.95901	1.3
97.02797	1.8
99.00694	1.1
101.02345	2.7
106.97976	3.0
122.97485	2.9
125.02354	2.8
127.03984	1.0
134.97484	5.3
136.99030	1.6
148.99052	6.1
152.98512	5.2
157.14320	0.8
162.48917	0.7
164.98550	13.5
206.99678	2.1
225.00694	16.3
269.25000	2.0
299.04443	3.6
451.75504	0.8
569.30017	100.0
570.30286	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	570.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	2.4
58.02854	26.6
59.01245	7.0
69.11825	1.9
70.02872	3.9
71.01256	2.6
71.09043	5.0
72.00790	2.8
75.00773	4.0
83.01301	1.9
85.02840	4.3
85.73308	2.0
89.02308	2.5
91.05409	2.2
94.47144	2.0
96.69588	1.7
109.02818	3.3
113.02389	2.7
113.67197	1.9
116.12269	2.1
121.71259	1.7
125.02323	8.1
132.02927	2.5
137.02383	2.4
141.07941	1.9
147.04442	13.7
151.00339	3.4
161.02390	1.8
163.03973	3.1
164.07083	47.5
164.08348	3.5
164.93430	1.8
169.01303	3.4
191.03461	3.3
193.01384	12.8
195.89250	1.8
206.08182	100.0
207.08501	5.3
287.73813	1.8
289.49753	2.0
299.30750	2.0
301.03448	2.8
351.83417	2.1
571.08771	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	569.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32510	1.1
59.01241	1.6
61.98707	13.3
63.46952	1.0
68.66518	0.9
71.07966	1.1
71.08311	2.2
72.38368	0.9
79.08542	1.0
95.83172	0.8
109.90643	1.0
113.13573	1.0
211.03709	1.2
255.03001	1.4
295.02295	1.1
369.07571	1.1
381.07742	1.2
397.07242	3.0
409.07169	3.0
425.06699	5.4
436.05670	1.5
437.06512	1.7
453.06061	8.5
454.06561	1.5
465.06137	2.7
468.08490	3.1
479.07986	1.1
480.08505	1.9
481.05649	3.5
483.10904	3.7
484.11139	1.1
496.07886	5.0
506.06439	3.3
507.07190	1.2
509.04950	10.7
510.05588	1.6
510.95032	1.1
511.10693	2.5
512.10522	1.3
521.08453	1.5
522.09265	1.9
524.07452	22.6
525.07880	4.3
539.09888	33.4
540.09784	5.6
550.45673	1.2
554.12152	43.7
555.12402	7.0
560.71198	1.1
569.14545	100.0
570.14966	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	569.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.0
61.78872	0.4
61.98711	2.2
65.00188	0.7
71.36620	0.7
76.78970	0.4
78.95782	0.5
85.79325	0.5
95.01277	0.9
96.95885	1.1
107.01276	1.5
123.00760	3.6
125.02287	0.8
133.02858	0.8
145.02824	1.5
149.99518	4.3
151.00259	1.2
159.04405	0.5
163.00281	0.9
164.01056	0.7
169.01337	0.7
173.02359	2.1
187.03966	1.4
202.06239	0.6
255.02936	0.8
259.78632	0.5
267.02792	0.6
281.04449	0.4
295.02417	1.5
310.04828	1.6
320.03259	0.6
325.08429	0.5
340.73157	0.6
345.04041	0.8
346.04712	0.8
353.08157	3.3
358.04803	2.6
359.05478	3.2
360.06390	1.0
365.08221	1.4
381.07785	5.6
393.07449	0.8
394.08322	0.8
397.07153	1.5
406.08179	0.5
409.07162	12.2
410.07562	1.7
422.07724	0.6
424.09695	4.7
425.06241	3.3
437.06625	5.4
438.06812	0.6
439.11969	1.1
440.08847	0.7
450.07553	0.9
452.09088	3.2
453.05850	4.4
462.07462	0.6
463.04761	1.0
464.05197	1.5
465.06174	8.8
466.06573	1.4
467.11447	0.7
468.08502	3.0
478.06790	1.2
479.07877	1.6
480.08566	8.2
481.05106	2.7
483.10925	0.7
491.04346	0.6
492.05005	2.3
493.05496	1.0
495.11218	4.0
496.07825	6.9
497.08136	0.8
506.06732	1.1
507.07089	0.8
508.07986	1.1
509.05298	1.5
511.10355	7.4
512.10785	1.4
521.08923	1.0
522.09894	1.0
524.07471	7.8
525.08124	0.7
539.09851	21.0
540.10046	3.1
554.12183	31.6
555.12579	5.1
569.14557	100.0
570.14862	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	569.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.3
61.98695	3.3
71.58808	1.3
72.98293	0.7
73.77263	0.8
80.65938	0.7
91.01765	0.9
95.01271	1.6
109.02900	0.8
123.00759	2.0
149.99554	1.3
188.04520	0.9
198.03256	1.1
227.03467	0.9
239.07593	1.1
248.57539	0.8
251.03426	1.0
255.02888	1.3
265.04926	0.9
293.58514	0.9
301.04871	1.6
309.04132	0.9
313.04980	1.0
317.04428	1.0
329.04422	2.0
330.05142	1.9
331.06046	0.8
337.08890	1.0
339.06659	1.1
353.08084	2.9
357.03934	2.6
358.04730	1.7
359.05588	2.4
363.06735	0.8
365.08069	2.0
372.06381	1.2
381.07910	3.8
386.04028	1.0
391.06006	1.7
393.07861	1.0
397.07208	1.3
408.06335	1.0
409.07169	4.9
410.07507	1.0
415.04382	2.0
421.07233	2.3
424.09637	1.4
425.06857	1.5
437.06622	4.3
441.06070	1.1
449.06348	0.9
453.06052	4.2
454.06699	1.3
465.06302	4.4
468.08514	2.2
481.05640	2.4
483.10870	2.1
492.04971	1.2
493.06131	2.8
496.07813	6.0
506.06058	1.0
509.05362	5.1
511.10541	3.1
523.10431	3.2
524.07446	19.0
525.07660	3.9
537.11401	1.1
539.09845	69.4
540.10303	10.0
554.12158	56.6
555.12610	9.4
569.14545	100.0
570.14941	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	569.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34346	0.6
59.01243	2.7
60.22495	0.6
61.98706	3.8
65.00189	1.5
69.87807	1.5
69.88213	3.5
71.01264	0.8
95.01258	1.6
98.19851	0.9
101.02324	0.8
107.01260	2.0
108.50809	0.7
115.27195	0.8
119.01266	1.8
123.00775	5.2
135.00854	0.7
136.72816	0.6
145.69649	0.7
149.99515	4.7
151.00273	2.3
159.04289	0.7
163.00279	1.2
164.01035	1.4
165.01826	0.8
169.01366	1.5
172.01627	0.8
187.03943	1.7
199.04114	0.7
211.04005	0.8
229.91672	0.7
239.03423	1.1
255.63161	0.7
259.31934	0.7
267.02982	1.4
295.02448	1.5
345.04123	1.4
347.05630	1.4
357.03989	0.9
358.04803	1.9
359.05630	3.0
360.06110	1.7
365.07736	0.8
369.07935	0.8
374.07764	0.8
381.07516	2.3
396.06430	0.9
397.07132	2.6
409.07330	1.5
421.06567	1.0
425.06705	8.2
426.07797	0.8
436.05917	0.9
437.06677	2.2
450.07730	1.1
451.08188	1.1
453.06067	8.8
454.05927	0.8
463.08359	0.7
465.06046	2.0
466.07132	0.8
468.08463	3.2
478.06812	1.9
481.05698	10.9
482.06403	2.0
483.10736	1.3
492.04578	0.8
493.05005	4.3
494.05984	0.9
496.07959	8.2
497.08347	1.0
506.06155	1.2
507.07285	1.8
508.08075	2.7
508.35956	1.8
509.05304	3.1
511.10260	7.6
512.10858	0.9
522.09442	0.9
523.10565	3.6
524.07477	24.5
525.07996	4.1
539.09851	22.7
540.10052	3.3
554.12140	60.4
555.12433	9.5
569.14520	100.0
570.14825	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	569.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	17.2
61.98705	35.6
62.78775	1.1
71.01244	6.1
71.58864	2.0
73.02831	1.4
74.82730	1.4
78.95782	2.1
80.94968	1.3
85.02833	3.3
89.02304	4.4
90.02715	1.2
95.01247	2.0
96.95916	1.4
101.02328	3.4
101.23560	1.1
109.06569	1.4
113.02293	2.5
121.02889	1.6
123.00774	3.3
125.02324	1.5
135.04453	1.6
137.02286	1.6
151.07550	4.1
152.99477	2.0
159.87109	1.2
161.04453	1.4
171.10211	3.6
195.06578	11.7
209.08344	2.2
209.11772	2.8
219.06558	2.2
227.03503	2.2
238.83775	1.2
251.03439	1.6
255.02884	2.3
256.03680	1.6
268.03925	1.4
269.04419	3.0
301.05081	1.2
323.07870	1.2
330.05176	1.4
331.05902	1.3
345.13773	1.8
345.30139	1.5
346.30368	2.8
353.08276	3.4
357.04056	2.0
358.04697	3.3
359.05722	1.7
365.07892	1.4
371.05621	1.7
372.06305	1.9
373.07355	1.5
381.07776	3.2
393.07571	2.3
400.05902	1.5
401.06586	1.2
409.07181	10.6
410.07516	1.6
415.04517	3.0
419.05164	1.7
421.07092	3.8
423.91138	1.2
424.09598	3.6
430.06702	2.2
436.05826	1.4
437.06339	5.8
445.09320	2.3
449.06342	2.3
453.06284	3.6
464.05487	1.4
465.05856	5.7
468.08539	5.4
480.08630	2.2
483.10724	3.3
493.05579	2.9
494.05728	1.7
496.07755	5.8
497.07782	1.5
507.07358	1.6
508.07712	3.2
508.35696	5.7
509.04865	1.5
509.35849	3.6
511.10275	3.3
521.09265	1.6
522.08936	1.6
522.76874	1.5
523.10223	6.3
524.07294	14.9
537.11841	3.9
539.09814	29.0
540.10065	5.1
554.12134	98.6
555.12567	19.0
569.14545	100.0
570.14838	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	569.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39087	0.7
59.01234	0.8
61.98703	1.1
65.00198	0.7
66.56469	0.6
70.38279	1.5
70.38668	1.2
76.05350	0.6
83.88256	0.6
95.01288	1.1
107.01261	1.4
116.92763	0.8
123.00786	4.6
136.01613	0.8
149.99495	2.7
151.00261	1.3
163.00273	1.5
164.01091	1.1
169.01349	1.5
173.02409	0.8
175.32147	0.7
187.03934	2.2
239.03398	1.1
295.02570	1.3
310.04889	1.0
317.04465	0.9
329.04697	1.4
331.06119	0.8
345.03677	0.8
353.08026	1.1
357.03894	1.1
358.04816	1.6
359.05392	1.2
372.06369	1.2
373.07343	0.9
381.07779	1.0
397.06924	1.5
407.05838	0.9
409.07159	4.1
419.29190	0.8
425.06790	4.2
436.05933	1.9
437.06598	1.8
440.09299	0.9
448.06433	1.4
452.08673	0.9
453.06119	5.6
454.06177	1.3
464.05301	1.9
465.06024	1.9
467.07422	0.9
468.08511	1.7
478.06573	1.0
479.07690	1.0
480.08466	1.4
481.05524	4.2
483.10950	0.8
492.04846	1.5
493.05093	1.0
496.08017	6.6
506.06467	1.0
507.07251	2.1
508.07651	1.0
509.04980	3.5
510.05347	1.2
511.10187	4.8
522.09778	2.3
524.07526	20.0
525.07635	2.7
539.09863	22.6
540.10150	3.4
554.12152	53.6
555.12378	7.7
569.14514	100.0
570.14850	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	569.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.8
59.01250	3.5
60.54274	0.5
61.98700	6.9
63.02255	1.7
65.00201	6.5
67.01764	0.8
68.40179	0.5
68.99686	1.1
69.03292	0.7
71.01252	5.3
72.99196	0.8
73.02798	1.1
75.36776	0.6
79.01782	0.8
83.01257	7.3
85.02791	0.9
87.00742	1.2
89.02311	0.7
95.01245	1.9
97.02827	2.1
99.00768	0.8
101.02301	2.3
101.03851	0.6
104.44635	0.5
107.01264	14.3
108.02100	1.0
111.00735	0.8
113.02316	1.4
115.16498	0.6
123.00779	10.2
123.04440	0.7
124.01527	1.5
125.02338	56.6
126.02676	1.8
133.02835	1.7
135.04398	0.7
136.01555	1.6
136.98735	0.6
137.02333	1.2
139.00246	1.9
140.01035	2.1
141.01811	0.9
141.06941	0.9
142.47137	0.5
145.06500	6.1
149.02338	1.0
151.00272	20.3
152.00533	0.7
153.01750	0.6
155.08559	0.6
164.01042	2.2
167.03433	0.7
167.08424	0.5
168.00580	4.1
169.01338	73.3
169.06453	4.0
170.01631	2.0
171.04439	8.8
171.10193	1.3
172.05171	2.5
175.00349	0.9
183.02887	0.7
183.08138	1.5
185.05942	1.5
187.07573	5.5
211.02434	7.7
211.07573	9.0
213.05536	8.3
227.07135	1.5
229.91656	0.5
241.03477	1.7
253.03474	0.6
255.06602	97.6
256.06915	6.3
271.04523	3.7
279.06647	4.0
297.07642	1.2
313.05655	70.2
314.05911	3.9
359.12973	0.5
397.37140	0.7
420.54910	0.6
459.01770	0.5
569.13037	100.0
570.13446	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	569.1092
Annotation	3'''-O-Methylfukugetin
Peak:m/z	Relative Intensity
50.22854	0.5
59.01253	5.9
60.25527	0.5
61.98703	4.8
65.00172	0.7
71.01234	1.6
71.22118	1.3
78.95742	1.6
83.01211	0.5
85.02811	1.2
89.02304	1.2
89.97659	0.5
95.01212	0.6
95.06661	0.5
108.02053	0.6
109.02831	4.8
113.02287	0.7
122.49732	0.6
123.00800	1.3
125.02287	1.3
133.02858	9.4
134.03587	0.6
137.02301	0.9
151.00261	0.8
151.07498	1.3
152.99422	0.9
161.02347	0.8
169.01236	0.9
171.10139	1.9
177.01845	0.6
183.04410	0.7
195.06509	3.7
196.06822	1.2
198.99594	0.5
199.03874	1.4
199.09697	0.6
201.01813	1.2
209.11818	0.5
211.03841	2.2
219.06557	0.7
226.02707	0.6
227.03326	1.4
233.05865	0.8
235.03835	0.7
237.05435	0.7
239.03413	1.2
240.04065	1.3
241.04765	0.8
243.02969	0.6
249.05557	0.7
251.03537	0.9
253.04887	0.8
255.65950	0.5
256.03632	0.9
261.05475	1.0
265.04797	0.7
267.02911	5.1
268.03757	5.6
269.04327	1.4
271.05933	0.9
273.05325	0.9
277.04962	1.5
284.03250	5.1
285.03964	8.6
286.04129	0.6
288.04041	0.7
289.04898	1.1
291.02924	0.5
293.04462	0.7
301.04984	1.5
302.05957	0.6
303.06552	1.1
305.04480	1.7
307.02496	0.8
317.04346	1.8
318.05197	0.9
319.05978	1.6
321.04056	0.9
329.04318	1.6
330.05234	0.8
331.05994	1.9
333.03925	2.1
341.04340	0.9
343.05701	1.1
345.03882	1.4
346.04639	1.5
347.05527	2.4
353.08334	0.6
357.03891	1.0
358.04791	0.8
359.05472	1.7
360.06253	1.3
361.03354	1.0
362.04044	0.8
369.07687	0.6
371.05807	0.7
372.06100	0.6
373.03488	1.2
374.04269	0.9
375.04932	1.3
381.07455	0.7
387.05032	3.0
388.05899	3.5
389.06436	1.4
399.13763	0.7
401.06995	0.7
403.04449	1.2
404.05460	0.6
415.04541	1.2
416.05276	2.1
417.05862	1.3
418.06912	1.5
419.07178	0.7
427.04492	0.8
429.01828	0.8
430.07101	1.1
431.08002	0.6
433.07559	0.7
437.06799	0.7
439.07999	1.8
440.08530	0.8
444.04837	3.8
445.05634	5.0
446.06168	0.7
449.06415	0.5
459.06979	1.2
465.05933	1.0
466.06531	0.7
467.07257	0.8
479.07648	0.7
483.07343	2.5
495.07251	2.6
496.08215	0.7
508.35339	0.9
511.06302	0.9
522.06152	0.7
523.07007	1.3
524.07056	2.1
525.08093	0.7
537.08478	0.8
539.06543	5.3
539.16974	0.6
554.09210	6.9
554.10455	6.7
555.08875	0.9
569.10742	100.0
570.11047	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	569.1093
Annotation	3'''-O-Methylfukugetin
Peak:m/z	Relative Intensity
52.51122	0.7
57.03318	0.7
59.01252	7.4
61.98705	51.0
65.00171	1.1
71.01263	3.5
71.60764	1.2
72.99162	0.7
73.02319	0.6
73.02787	1.3
75.00743	1.0
85.02795	2.6
87.00745	1.5
87.04417	1.7
89.02306	1.0
95.01269	1.3
96.95857	1.8
99.00832	0.7
101.02297	2.5
109.02847	5.2
113.02287	2.5
121.02825	0.8
123.00751	1.5
123.04376	0.9
125.02377	5.0
132.02882	1.0
133.02859	8.0
134.03633	0.8
135.00757	1.0
137.02365	1.5
142.17899	0.7
151.00249	1.4
161.02292	1.5
163.00146	1.1
169.01295	1.7
171.10152	1.0
179.06908	0.9
199.03954	0.8
201.01842	1.0
211.03896	2.4
223.09837	0.9
227.03471	8.6
227.07045	0.9
228.03711	0.8
229.04930	1.6
239.03445	1.8
240.04289	1.4
243.06635	0.8
253.04877	0.9
255.02963	11.5
256.03537	1.9
261.05469	0.9
267.02936	4.6
268.03665	5.3
269.04318	1.4
277.04977	1.7
281.04419	1.3
284.03253	17.5
285.04004	21.6
286.04364	0.8
289.04929	1.5
293.04684	1.0
301.04947	1.2
303.06461	1.0
305.04550	1.7
317.04370	2.3
318.05020	1.7
318.11215	0.8
319.05997	2.1
329.04483	2.3
331.06021	2.1
333.03864	2.3
345.03851	1.4
346.04507	1.2
347.05417	3.1
347.16043	0.8
348.05734	0.9
354.04092	0.7
359.05493	2.6
359.14731	0.7
360.06232	0.9
362.04114	1.9
363.05154	1.1
372.06207	0.9
373.03110	1.1
374.03922	1.1
375.05099	1.3
377.06332	1.2
387.04947	2.9
388.05789	2.9
389.06467	1.0
415.04355	1.6
416.05194	1.4
417.06009	1.4
418.06546	1.4
430.07254	1.6
431.07648	1.7
439.08356	2.1
444.04617	2.5
445.05627	5.4
447.09335	1.2
459.07056	1.2
483.07025	2.6
495.07169	2.2
508.35297	2.5
511.06772	1.2
523.06592	1.6
524.07581	1.2
537.08038	1.4
539.06146	5.1
554.08374	12.6
554.22595	0.9
555.08282	2.0
569.10681	100.0
570.11133	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	568.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	19.8
64.79468	0.5
69.74114	2.7
78.95313	1.0
78.95776	21.0
92.81071	0.5
96.95872	1.8
111.76871	0.5
119.31542	0.4
122.98403	0.5
134.74382	0.5
152.99500	3.3
155.03107	0.4
168.04202	2.4
192.32462	0.5
224.06915	7.6
242.07947	1.4
255.23325	1.6
269.24838	100.0
270.25186	8.3
338.15326	0.5
483.27112	1.1
494.32498	62.4
495.32870	7.3
582.15533	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88958	2.1
57.03336	3.8
59.01252	100.0
60.37379	2.4
61.52480	2.8
61.98706	20.1
71.01258	54.1
72.99173	3.4
73.02811	5.6
75.00751	3.1
78.95778	6.3
81.03371	2.9
83.01289	6.7
85.02816	18.2
87.00775	3.0
89.02328	44.0
95.01262	4.7
96.95899	6.1
101.02332	36.2
107.72149	2.4
112.62122	2.6
113.02335	23.6
117.44447	2.7
119.03408	21.7
125.02330	6.0
137.02374	2.9
143.03419	4.9
149.04367	3.1
151.07567	17.4
161.04466	17.0
165.01993	2.8
179.05542	10.5
195.06555	36.2
196.06960	4.9
200.08168	2.6
208.23717	2.4
209.08029	2.6
219.06581	9.6
229.79651	3.7
237.07649	4.1
267.02924	4.2
269.04495	2.7
285.04025	3.2
297.04111	3.7
314.13522	2.8
345.30087	35.7
346.30420	4.1
507.35406	91.1
508.35669	11.9
567.10034	9.2
567.23938	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	567.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	3.3
57.03331	1.6
59.01251	53.5
61.98700	12.9
71.01258	34.1
73.02821	11.4
75.00752	1.7
83.01242	6.7
85.02822	17.2
87.00745	2.0
89.02311	6.6
90.86645	1.5
95.01256	2.8
98.19746	2.9
99.00774	5.9
101.02318	26.9
102.45982	1.3
111.00777	2.7
113.02332	17.6
125.02351	4.9
143.03407	1.9
159.02905	3.0
161.04488	8.6
161.49046	1.8
179.03348	1.3
206.24554	1.5
230.05550	2.2
247.23402	1.9
345.30075	7.9
361.66125	1.4
430.13965	1.6
507.35364	100.0
508.35757	15.8
567.30200	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	567.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	2.3
55.11818	1.3
57.03318	3.9
58.00467	1.8
59.01254	79.3
60.01626	1.6
61.37457	1.3
61.98696	3.4
66.06847	1.5
66.59504	1.3
71.00887	2.9
71.01255	33.7
72.99168	3.2
73.02813	12.0
75.00752	6.4
76.48666	1.7
83.01262	5.3
85.02818	21.1
87.00737	3.8
88.98677	1.7
89.02327	8.9
95.01237	3.3
96.95884	1.8
99.00767	6.1
100.89272	1.4
101.02322	25.4
111.00791	2.7
113.02335	17.5
115.00190	1.5
119.03436	2.2
120.62717	1.6
125.02335	4.2
135.04381	1.6
137.02437	2.0
138.18912	1.3
159.03011	3.5
161.04471	11.1
163.03912	2.4
169.01306	3.4
179.05568	1.5
209.08102	2.8
245.15942	1.5
277.87076	1.8
301.03534	1.7
345.30051	7.0
369.37296	2.0
382.67963	1.6
405.19122	2.7
507.35364	100.0
508.35849	13.2
523.24603	6.7
552.24908	1.6
567.09631	1.8
567.22980	2.6
567.30194	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	567.3174
Annotation	Antibiotic FR 900261
Peak:m/z	Relative Intensity
53.65476	0.4
54.44613	0.5
57.03291	0.7
59.01253	4.6
61.98697	3.7
65.00192	2.3
67.01733	0.6
69.24269	0.6
71.01232	0.7
81.03330	1.9
83.01273	0.6
83.31295	0.6
89.02328	1.1
91.01768	2.8
91.03884	1.6
91.05400	1.0
91.94874	0.6
93.03333	8.6
95.04910	0.9
96.95875	1.4
101.02306	0.8
105.03341	1.3
107.04902	2.3
109.06478	0.7
111.04439	1.1
119.01277	5.3
119.04948	0.7
121.02069	0.9
121.02848	11.1
122.55341	0.6
123.04353	0.8
125.02325	3.2
130.95052	0.6
131.01285	0.6
133.02829	0.9
134.03632	4.9
135.04417	8.9
136.05232	0.6
137.02344	1.2
139.03920	0.7
147.00783	14.0
147.04393	1.0
148.01430	1.1
149.02347	16.0
149.06039	0.6
150.03146	2.6
151.07549	10.3
152.01076	2.9
153.01871	1.0
159.04427	0.7
162.03120	1.3
163.02695	0.7
163.03935	9.4
164.01093	1.2
164.04712	6.8
165.01845	6.9
165.05437	0.9
165.09125	1.0
166.02475	0.8
167.03426	0.9
169.04985	1.6
175.00279	8.6
176.00928	1.1
176.04758	0.6
177.01840	4.0
179.07048	1.1
180.04210	0.6
190.02643	12.1
191.03406	6.1
191.07101	1.5
192.03877	0.8
193.01369	6.1
194.02129	1.2
195.06566	39.2
196.06909	2.5
205.04999	23.3
206.05371	1.1
207.02974	2.5
208.03677	4.6
209.04498	2.1
209.08057	2.9
219.06555	2.0
223.06071	6.2
236.49200	0.5
237.07700	0.7
261.07651	0.6
269.21310	1.1
287.22336	6.4
291.16171	0.6
311.22107	0.8
321.72205	0.6
377.19778	0.6
391.21298	1.5
401.23306	1.6
445.22217	2.2
461.25269	1.7
463.23291	1.9
464.24033	0.8
465.24924	0.7
475.26837	3.5
478.25705	10.9
479.26199	2.8
493.28067	24.6
494.28348	3.5
537.27014	9.2
538.27576	1.6
552.29279	3.0
567.31732	100.0
568.13617	0.8
568.32117	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	567.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	2.7
57.03318	6.7
57.30966	1.4
58.00481	2.0
59.01252	72.2
61.98716	2.3
65.89523	1.5
66.63373	1.4
68.99686	1.5
69.03339	2.5
71.01256	44.1
71.56641	1.8
72.99184	6.4
73.02819	10.1
75.00748	37.4
83.01260	5.7
85.02828	46.9
86.05324	1.5
87.00742	9.5
89.02333	9.1
95.01270	6.3
99.00755	15.4
101.02324	23.0
109.02825	2.2
111.00762	4.3
113.02331	38.8
115.00272	4.2
117.01795	1.5
125.02343	7.6
135.04395	1.8
137.02361	3.0
161.02420	1.6
161.04483	7.7
169.01396	2.0
174.01524	1.5
175.02437	4.9
195.06589	1.6
207.39420	1.7
209.08151	2.0
209.94498	1.6
216.79236	1.7
237.11316	2.3
305.19733	5.9
345.30264	2.9
405.19299	4.6
419.22818	2.1
507.35315	45.8
508.35934	2.5
523.23938	100.0
524.24274	11.7
567.22003	2.5
567.31439	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	567.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.4
59.01254	1.4
61.98706	1.1
65.00180	0.9
67.01759	0.2
69.25140	1.2
69.25558	0.5
71.01271	0.7
77.54116	0.2
78.41367	0.2
81.03333	4.7
83.01257	1.0
85.02790	0.2
85.06464	1.4
87.04388	0.8
89.02334	0.4
90.52397	0.1
93.03319	0.2
93.88408	0.2
95.04903	0.3
97.02789	0.4
101.02298	0.3
107.01266	0.4
109.02908	0.2
109.06487	2.8
111.04398	4.3
113.02287	0.2
113.05956	0.4
116.32775	0.2
119.03444	0.2
121.02881	0.2
124.01577	0.3
125.02349	4.7
127.07515	0.9
133.06502	0.8
134.12917	0.2
135.38745	0.2
136.05211	1.2
137.02365	0.3
149.02359	1.0
151.00279	0.7
151.07558	33.4
151.22668	0.2
152.01070	0.7
152.07895	1.5
153.05504	0.5
161.05931	0.3
163.07524	0.3
165.05504	0.5
165.09061	0.2
175.00294	0.3
176.07220	0.2
177.05519	1.2
179.07069	0.6
186.48714	0.1
191.07182	0.8
194.05829	0.5
195.06563	100.0
196.05144	0.3
196.06905	5.1
201.05496	0.7
207.06548	0.6
208.07393	0.3
209.08134	2.1
212.70500	0.2
219.06580	21.2
220.06902	1.3
221.08109	0.2
237.07646	8.5
238.07903	0.4
249.07684	1.6
261.07556	0.4
339.16827	0.2
507.35233	0.3
549.22998	0.5
567.24432	4.7
568.24597	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09256	1.4
53.60030	1.5
56.62692	1.5
57.03316	8.6
59.01254	41.4
70.47179	1.6
71.01257	28.4
71.59824	1.8
72.99181	5.6
73.02818	5.3
73.04749	1.6
75.00753	38.8
83.01261	5.7
85.02346	2.8
85.02832	41.6
87.00756	11.1
89.02321	5.3
93.03355	1.9
95.01270	4.1
99.00758	13.1
101.02331	8.0
108.02052	3.1
109.02843	3.2
111.00694	1.8
113.02332	39.6
115.00260	4.2
117.01836	2.6
121.02807	1.7
124.89664	1.7
125.02307	3.8
129.01820	3.2
129.58669	1.7
137.02339	3.9
151.00262	2.4
152.01074	6.5
157.01335	2.0
161.04439	2.2
165.01753	1.8
167.01672	1.7
175.02402	5.1
240.05409	2.4
255.07680	2.1
268.09656	2.1
293.09460	1.8
296.21219	1.9
305.16086	2.2
310.44812	1.7
311.10428	11.1
319.02530	1.7
387.11932	2.6
405.15540	5.9
523.20325	100.0
524.20764	13.4
567.13611	5.5
567.23071	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	567.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	8.6
58.00482	1.5
59.01253	51.8
61.98702	5.5
69.03336	2.0
71.01259	35.8
71.59898	1.5
72.99184	7.6
73.02824	7.9
75.00750	39.4
83.01266	5.6
85.02829	41.5
87.00760	12.9
89.02328	5.4
89.13227	1.4
93.01701	1.3
95.01266	5.1
96.95883	3.2
97.02836	2.1
99.00771	13.0
101.02335	9.4
101.04974	1.4
109.02872	1.5
113.02338	41.1
115.00278	3.3
117.01862	1.6
119.04887	2.0
123.04436	2.3
125.02343	12.4
129.01776	2.2
134.03654	1.9
137.02365	2.4
149.04614	1.4
161.04463	2.7
163.03946	2.4
165.05573	1.6
166.02672	1.7
168.00545	1.4
169.01357	5.1
175.02429	6.0
175.03917	3.7
185.06232	1.4
190.06322	1.7
193.05017	2.0
229.09018	1.5
242.41908	1.5
267.07446	1.7
301.03506	2.2
305.19705	3.0
323.76495	1.6
337.09366	2.9
391.08145	2.2
419.22968	3.8
456.23080	1.5
506.34482	1.7
507.20218	2.5
519.20966	2.4
523.23981	100.0
524.24249	13.5
535.15210	1.6
549.21338	2.3
567.23431	5.6
567.30304	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	567.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	1.1
57.03310	1.9
59.01253	8.0
65.89904	1.0
69.28138	1.0
69.37443	6.4
69.37881	4.2
71.01250	7.4
72.99174	2.0
73.02824	1.8
75.00743	3.3
84.63404	1.2
85.02815	9.9
87.00755	2.2
89.02335	2.5
93.03334	15.0
95.01257	2.2
97.02792	1.5
99.00748	2.5
101.02317	2.8
103.72552	1.0
104.51349	1.1
108.02055	50.2
109.02867	9.0
111.00764	1.9
113.02313	4.3
119.04949	1.2
121.02865	5.9
123.00784	2.8
123.04406	2.2
124.01515	1.4
125.02328	3.8
129.01872	2.0
131.30223	1.0
134.03638	1.3
135.04388	1.8
137.02345	25.6
152.01064	100.0
153.01866	5.6
163.03906	5.0
165.01828	2.5
165.05548	1.5
166.02617	1.1
169.01314	2.6
177.01857	1.5
179.03404	1.4
193.04984	1.8
209.04556	2.0
226.02673	1.5
246.25763	1.2
268.09839	2.2
278.06879	1.7
293.09399	4.3
301.07156	3.4
311.10349	10.2
429.10367	20.6
430.11243	1.4
447.11435	15.5
448.11896	1.6
473.15628	1.8
523.21545	1.4
535.16028	1.7
567.13556	67.0
567.22430	3.2
568.13556	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94062	1.5
51.52162	1.6
57.03313	2.0
59.01253	23.6
60.99182	13.6
61.98699	4.4
69.21528	1.3
71.01246	15.3
71.60162	2.1
72.99184	4.4
73.02821	3.5
75.00747	8.9
78.95784	1.6
83.01263	3.5
85.02822	14.4
87.00242	1.6
87.00761	5.5
88.00283	4.0
88.98679	100.0
89.02320	14.2
93.03319	1.7
95.01258	2.3
99.00766	3.4
101.02327	5.0
108.02081	2.0
108.56917	1.5
109.02872	2.5
113.02355	9.7
119.03402	1.8
119.04908	2.2
121.02856	2.3
123.00769	2.6
124.01563	3.5
125.02349	11.2
129.01779	1.8
134.03595	1.6
135.04369	1.8
148.05296	1.5
149.99496	3.8
151.00287	1.6
151.03902	1.6
163.03943	2.4
164.04576	1.7
165.05513	1.4
168.00581	4.6
169.01317	4.1
175.02367	2.3
175.03835	1.8
175.19669	1.5
190.06313	3.7
199.03859	1.5
209.11844	2.1
315.12430	6.4
405.19135	6.8
406.78751	1.4
411.65591	1.8
506.33539	1.9
507.35049	2.6
523.23730	9.7
567.22040	9.3
567.30316	12.6
568.22809	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19530	2.0
55.01768	3.5
57.03315	10.1
59.01252	80.0
61.02176	2.1
68.99693	3.8
69.03339	10.7
69.67622	16.3
71.01257	54.6
72.99186	17.1
73.02814	4.4
75.00750	28.6
79.05402	11.0
83.01270	7.0
83.04897	4.4
85.02829	51.2
87.00739	20.4
88.98683	8.0
89.02335	17.1
93.03339	30.9
95.01263	9.8
95.04895	9.2
97.02827	5.8
97.06487	4.7
99.00755	14.3
100.65404	2.2
101.02337	7.4
103.00263	3.4
107.01276	4.3
107.04911	3.4
108.02067	17.6
109.02869	13.1
111.00742	4.7
111.04375	3.1
113.02340	63.3
113.05962	8.9
115.00285	2.9
115.03919	2.1
117.01845	4.1
119.04927	5.8
121.02801	4.6
122.03608	3.8
123.00842	2.6
123.04423	6.7
125.02327	18.0
125.05970	4.0
129.01837	7.0
135.04395	2.2
137.02351	42.4
139.03888	4.1
143.03458	3.6
147.04353	2.6
149.09650	11.1
150.19844	2.3
151.00323	11.4
151.03931	3.4
152.01086	29.6
153.01875	12.1
157.01382	2.4
159.08226	2.3
161.04486	2.5
161.05911	2.2
165.01799	2.5
165.12816	2.6
167.03342	3.6
169.01309	6.5
175.02425	3.1
175.11203	28.5
176.11584	2.5
177.09154	10.2
179.03419	2.6
179.78606	2.6
181.01396	3.7
183.02901	2.7
193.08609	8.4
208.00111	3.0
209.00803	6.9
209.11827	4.0
219.10178	5.9
221.08131	3.6
231.05153	3.5
237.11270	13.7
249.06133	42.2
267.07214	100.0
268.07477	7.5
281.10330	8.0
299.11499	2.7
301.03625	2.6
361.16296	4.3
362.16754	3.8
363.09503	11.5
363.16965	6.2
373.07843	4.9
413.07339	10.3
429.10449	26.7
430.10236	3.5
506.20923	5.6
507.21426	15.5
525.22437	4.7
549.18420	3.3
567.13391	10.0
567.20410	7.0
567.26471	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	566.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	33.7
65.00220	13.3
65.99712	15.3
71.01236	33.0
71.59011	12.2
72.99172	31.2
73.02826	8.9
74.43029	5.3
75.00756	6.8
77.18983	6.8
83.01258	15.5
85.02818	39.2
86.54381	5.5
87.00750	13.7
89.02333	11.0
95.01250	21.9
99.00765	28.9
101.02323	11.2
103.00262	6.2
105.66490	6.4
107.01262	16.5
109.02831	51.5
110.02316	6.0
111.00770	42.0
113.02336	36.3
117.69095	5.5
120.30060	6.0
121.02827	22.6
122.02362	7.3
123.00746	31.0
123.04439	8.3
124.01578	8.8
124.98672	8.9
125.02336	24.8
125.77964	5.4
127.00255	10.3
129.01817	6.7
130.23145	6.0
133.02859	15.4
134.02383	13.9
135.00735	10.7
135.04378	6.8
136.98698	8.5
137.02367	29.8
139.00288	52.3
141.01801	11.8
145.02811	7.4
147.04436	12.4
147.08456	5.3
149.02344	16.4
150.01888	6.9
151.00270	59.2
151.03799	7.6
152.00961	7.4
153.01836	21.5
153.98953	5.8
154.99768	35.0
157.01385	6.7
159.04404	10.5
161.02338	13.6
161.04379	6.1
162.01862	15.3
163.00243	28.0
163.03923	11.0
164.01077	8.2
164.03470	11.9
164.98218	6.8
165.01820	25.8
165.05495	5.2
165.99013	5.5
166.99796	34.5
167.03366	9.0
168.00607	6.8
169.01361	26.5
175.00301	9.7
175.02473	9.3
175.03941	10.9
176.03452	7.3
177.01863	57.7
178.01361	18.3
178.99762	51.1
179.03383	6.0
180.02866	8.0
180.97557	6.8
181.01274	15.2
182.99359	7.5
184.71513	5.5
185.00865	6.0
187.03970	12.7
189.01891	10.8
190.01366	20.6
190.99812	14.7
191.01895	7.1
192.00516	8.1
192.03023	7.9
193.01347	43.9
193.03465	36.2
194.86177	5.9
194.99261	26.8
197.00789	7.6
202.01292	13.6
202.99780	6.1
203.03487	15.2
204.02919	14.0
205.01260	13.9
206.99258	14.0
207.02910	8.3
208.02353	8.3
208.05742	7.5
209.00909	36.5
211.03976	7.7
213.05487	7.4
215.03426	13.1
217.01216	6.4
217.04959	6.7
218.00928	12.6
219.02997	8.1
220.02515	11.0
222.03920	7.8
222.98798	11.3
223.02469	6.2
225.00319	20.5
227.03513	15.3
228.03044	7.0
229.01401	8.7
229.04663	5.7
231.03120	8.3
232.02467	8.5
235.02487	6.9
236.01990	18.8
236.05692	12.8
238.05074	7.4
242.02090	9.3
243.02927	20.6
245.04556	8.5
247.02484	12.6
248.02133	13.7
249.04205	6.3
255.02841	13.2
257.04398	8.2
259.02542	10.1
266.04300	7.2
271.02472	13.2
272.05701	6.5
273.04028	14.0
282.04102	7.9
283.02332	9.0
287.01886	18.8
289.03610	7.3
293.03067	7.2
298.03555	6.5
299.01895	16.2
300.05386	8.2
301.03537	30.3
310.03598	15.5
313.03543	9.1
317.02914	24.2
326.03098	14.1
327.01324	11.4
328.04648	33.8
329.05295	5.7
332.01691	29.4
333.02054	6.3
336.01447	7.8
344.04129	16.8
345.02475	18.1
345.86618	6.4
349.88898	6.1
354.02475	55.9
361.16638	31.8
362.16977	15.2
369.04337	7.4
372.03491	100.0
372.07419	22.9
373.03836	11.0
385.03925	7.8
390.04266	50.5
390.08847	13.8
391.05362	11.2
424.05325	10.4
430.10165	12.2
433.35196	6.0
548.07123	12.0
566.08105	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	565.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.7
57.03325	4.7
57.72637	0.3
58.00463	1.3
59.01251	100.0
59.06273	0.3
60.01575	0.7
60.12404	0.2
61.98728	0.3
67.01743	0.3
67.90818	0.2
68.99669	0.3
69.03336	0.9
69.32374	3.0
71.01252	33.8
71.04907	0.4
72.01603	0.4
72.99184	1.6
73.02821	6.9
75.00749	2.0
81.03350	0.6
83.01260	3.9
83.04880	0.2
84.01585	0.3
85.02823	18.5
85.32092	0.3
85.99982	0.5
86.03168	0.4
87.00755	2.3
87.04409	0.8
89.02319	11.3
93.03307	0.4
95.01259	4.7
95.04907	0.3
96.95892	0.9
97.02840	1.7
97.06497	0.4
98.19757	0.5
99.00746	3.2
99.04391	0.3
101.02322	14.1
102.02636	0.3
103.87460	0.3
108.02084	0.5
109.02854	1.0
111.00780	1.2
111.08030	0.3
112.01568	0.7
113.02328	23.7
113.09634	0.3
114.02664	0.6
119.03392	3.2
119.04899	0.3
121.02842	0.7
123.00761	0.6
123.04442	0.7
123.08057	0.3
124.01559	1.2
125.02337	5.9
126.02695	1.0
127.02740	0.3
127.11164	0.3
129.01823	0.7
131.03395	0.6
134.03685	0.3
135.04449	0.5
137.02348	1.9
137.09636	0.4
138.02670	0.5
143.03395	2.3
148.01521	0.4
149.02309	1.3
149.04459	0.3
149.05988	0.3
150.03090	0.6
151.03944	0.5
152.01004	0.3
153.01822	0.3
155.10680	0.8
155.11847	0.3
157.12263	1.1
159.02892	1.3
161.02396	0.4
161.04468	3.9
162.02809	0.3
163.03915	0.6
164.01161	0.3
165.01851	1.1
165.05536	0.6
167.03394	0.7
167.10687	0.3
169.01338	0.9
171.13785	0.6
175.02390	0.3
175.03883	0.5
179.03391	0.3
179.05576	0.4
187.13330	1.8
192.00594	0.6
193.01367	0.3
201.14929	1.2
202.35243	0.3
212.04535	0.3
216.03967	0.3
225.05234	0.3
229.05060	0.4
230.05357	0.5
231.05762	0.3
231.16017	0.5
241.05055	1.5
242.05368	1.3
243.05669	0.9
257.04514	0.4
259.05255	0.3
269.04556	0.7
270.04797	0.3
271.05432	0.4
271.09833	0.3
315.25369	0.7
341.27136	0.4
343.28433	1.5
359.27936	1.4
361.09744	0.4
361.29584	11.4
362.29803	0.6
381.09406	0.3
403.30777	0.3
427.09439	0.5
431.30154	0.4
457.31802	0.7
475.32791	0.9
487.32019	0.3
505.33804	80.3
506.34091	9.4
523.34833	25.9
523.42920	0.5
524.35327	3.0
550.18414	0.4
565.11859	1.4
565.24939	1.2
565.35883	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	565.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	0.6
59.01245	1.1
65.00214	0.6
68.99672	0.3
71.01231	0.4
71.58779	0.3
77.31493	0.3
78.95791	0.5
81.02882	0.6
81.03329	6.5
83.01270	1.0
93.03328	0.5
97.02845	0.7
99.08014	1.7
101.05940	1.1
107.01268	0.5
109.02837	0.4
123.08041	3.3
124.01512	0.5
125.02345	5.0
125.05978	6.2
136.05215	0.6
137.02376	0.4
139.03888	0.4
141.09103	1.2
147.08066	0.9
149.02342	1.1
151.00272	1.2
152.01038	0.9
161.02347	0.4
165.09119	35.0
166.09421	1.8
167.07057	0.4
173.14020	0.3
179.07033	0.7
191.07040	1.4
193.08664	0.7
195.06544	0.4
205.08647	1.1
209.08130	100.0
210.08443	4.8
215.07118	1.0
221.08025	1.1
223.09747	2.6
233.08150	24.7
234.08478	1.6
251.06654	0.7
251.09222	10.4
252.09552	0.4
263.09235	2.9
275.09210	0.7
399.69910	0.3
415.48819	0.3
459.28790	0.3
565.26428	7.9
566.26831	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.0
69.44466	1.4
71.01247	0.6
72.99177	0.2
75.00738	0.3
85.02833	0.7
87.00749	0.2
89.02317	0.3
93.03321	1.2
98.19814	0.4
108.02068	0.5
109.02834	5.2
109.05012	0.2
111.04429	0.3
113.02364	0.6
115.00294	0.3
119.04893	0.4
121.02838	13.7
122.03633	10.2
122.04543	0.4
123.00744	0.3
123.04483	2.0
124.01574	1.3
125.02326	0.2
129.03340	0.7
134.03590	0.9
135.04424	1.7
136.01540	0.3
136.05203	1.1
137.02359	2.6
143.04906	0.2
146.03619	0.6
147.04420	5.8
147.05598	0.4
148.05072	0.4
149.05960	1.1
150.03081	0.3
152.53194	0.2
153.01813	0.5
154.02626	1.9
159.04269	0.2
161.06021	2.2
162.06770	0.4
163.03905	0.5
163.07549	0.2
164.04709	0.8
165.01811	0.5
165.05486	27.1
166.02371	0.2
166.05801	1.3
168.04199	0.3
173.05945	0.4
175.07492	0.3
177.05508	0.2
178.06264	0.4
179.07063	8.3
180.07402	0.5
181.04915	0.3
183.94844	0.1
191.07095	0.6
195.06557	0.3
209.08121	0.7
223.09702	1.3
240.18834	0.2
285.11411	0.3
288.03500	0.2
298.12119	0.7
299.12933	0.2
301.10788	0.4
301.76944	0.2
313.14523	1.3
315.12408	3.0
316.13013	0.7
331.15521	0.5
343.15384	0.4
345.13297	0.3
346.14197	9.5
347.14545	0.9
361.16550	100.0
362.16864	11.8
389.31790	0.2
505.20737	0.8
565.18176	0.4
565.24908	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2294
Annotation	Excavatolide C
Peak:m/z	Relative Intensity
55.01754	2.3
57.03321	3.8
59.01251	37.4
69.03313	1.1
69.66299	5.4
70.10244	0.7
71.01257	23.2
72.99185	3.4
73.02812	6.9
75.00741	2.5
83.01246	4.3
85.02827	16.6
87.00738	4.3
89.02320	6.1
93.03314	1.6
95.01243	4.3
96.95878	1.0
97.02831	1.6
98.19806	0.9
99.00748	3.3
99.04381	1.2
101.02326	10.4
107.01260	3.6
108.02061	2.3
109.02840	8.1
109.67922	0.8
113.02332	15.1
119.03384	2.0
119.04910	4.6
121.02844	12.1
122.03633	11.3
122.62340	0.8
123.00755	1.8
123.04456	4.0
124.01571	2.9
125.02344	12.2
129.01834	1.0
129.03320	1.0
135.04388	2.3
136.05156	2.6
137.02359	4.1
139.00301	0.9
139.03877	1.0
143.03340	1.0
147.03206	1.0
147.04382	8.7
149.05980	2.0
150.03067	1.0
151.00270	3.3
151.03909	0.9
153.01845	4.4
154.02586	2.2
160.05151	1.1
161.06000	5.1
162.06729	2.3
163.00208	1.3
163.03899	1.9
164.04713	1.2
165.05487	22.2
168.04280	0.7
169.01364	11.6
175.03857	1.2
175.07620	2.2
176.08292	1.1
179.07033	6.0
181.01334	1.8
191.07037	2.2
205.08669	1.2
207.10229	1.2
238.22545	0.8
249.06056	0.8
251.12556	0.8
261.81058	0.9
267.07230	1.8
271.02563	1.3
298.12268	1.7
313.14410	6.5
314.14804	1.1
315.12350	1.6
317.02972	2.5
328.13278	3.9
329.13742	1.6
331.15448	1.1
343.15485	12.8
344.15823	1.1
346.14264	7.4
347.14896	2.3
361.16568	57.0
361.80923	0.8
362.17041	6.3
403.13586	1.7
475.19907	1.4
490.18759	1.1
505.20798	100.0
506.21091	15.5
521.09302	1.8
521.16785	1.5
523.21832	41.2
524.22241	5.0
565.15479	6.0
565.23828	4.3
566.15643	1.5
571.88452	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68124	0.9
54.62886	0.9
55.01746	1.7
57.03329	4.7
59.01255	100.0
60.01585	3.4
61.01671	1.5
69.42090	8.5
71.01258	28.5
72.01600	1.3
72.99194	2.1
73.02840	5.1
75.00745	3.9
80.94713	0.9
83.01263	3.3
84.02103	0.9
85.02829	17.5
86.03139	1.1
87.00754	3.4
89.02312	10.5
95.01286	4.1
96.95874	5.5
97.02862	1.1
98.20657	1.0
99.00767	4.3
101.02338	10.7
101.77893	0.9
108.02073	1.3
109.02837	2.6
111.00742	2.7
113.02327	18.8
114.02702	1.8
119.03380	2.8
119.04926	1.1
121.02852	11.4
123.00757	1.0
123.04418	1.5
125.02359	10.5
128.26924	0.9
129.01840	1.2
133.02867	8.7
135.04434	3.3
137.02322	4.5
138.02992	1.0
139.00307	0.9
143.03433	1.6
145.02831	1.1
149.02374	5.1
151.00209	1.1
153.01848	1.1
157.12225	1.1
161.04434	3.6
164.04727	1.7
165.01833	1.8
169.01256	2.3
179.06984	2.5
191.03383	1.3
213.95190	1.0
253.04892	1.6
271.06100	12.1
286.08450	12.4
301.10825	51.6
302.11102	3.5
327.21576	1.3
328.22070	1.6
359.28061	1.3
360.28351	2.0
361.09430	2.5
361.29599	7.8
503.31830	1.9
504.32648	12.2
505.33694	42.2
506.33847	2.0
519.31689	1.5
521.22815	1.4
522.33655	5.9
523.34705	20.1
535.19794	4.1
565.26196	2.9
566.24469	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19344	0.3
55.01754	0.5
57.03324	9.1
59.01253	8.5
60.01553	0.3
63.02271	0.9
65.00191	1.0
66.96880	0.3
67.01775	0.4
68.99712	0.4
69.03335	1.0
69.52215	0.3
69.52520	2.7
71.01258	6.4
72.99188	0.9
73.02827	1.5
75.00758	1.6
79.01791	0.6
81.03325	1.5
83.01253	3.2
85.02821	4.3
87.00761	1.0
89.02330	1.2
91.20728	0.3
95.01277	1.4
96.18214	0.3
96.95892	0.5
97.02843	1.4
99.00777	0.5
99.04427	0.4
101.02331	2.6
107.01275	7.0
108.02084	0.3
109.02844	0.8
110.94096	0.4
111.00755	1.4
113.02332	4.3
119.03425	0.4
119.04902	0.5
119.47266	0.3
121.02826	0.9
123.00763	7.1
123.04359	1.5
124.01573	1.2
125.02338	100.0
126.02664	2.6
136.98660	0.6
137.02370	1.7
139.00243	1.7
139.03926	1.0
140.01059	1.6
141.01860	1.3
143.03378	0.5
147.94507	0.3
149.02347	4.2
151.00278	7.0
151.03929	0.8
152.01015	0.4
153.01880	0.7
161.04475	0.7
163.04051	0.3
165.01865	0.7
167.03429	4.8
168.00548	2.7
169.01340	59.7
170.01669	1.7
173.06036	0.4
179.03439	0.8
191.01930	0.4
191.03462	0.7
193.01350	0.8
195.02979	0.4
203.03462	1.6
204.04236	2.8
205.04955	0.5
211.02412	5.5
218.05740	0.5
233.08160	17.8
234.08502	1.5
241.03461	2.0
251.09233	1.3
253.03389	0.5
269.51474	0.3
271.04584	3.0
303.33096	0.3
313.05655	50.5
314.06018	2.4
315.08685	0.4
322.34802	0.3
361.29474	0.6
439.08801	32.9
440.09039	2.9
481.09818	3.2
482.10223	0.4
504.32437	1.0
505.33578	2.5
522.33331	0.4
523.34930	1.1
535.19263	0.4
547.14575	62.2
548.14966	6.8
565.14258	2.2
565.21191	0.5
565.28571	4.7
566.15839	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	28.7
65.00161	3.2
67.39109	2.0
68.58430	2.5
70.14178	5.3
70.14577	5.7
71.01245	9.3
73.02804	2.7
78.73692	2.4
81.74613	2.4
85.02809	5.1
95.01265	3.8
96.95872	3.9
99.00760	3.4
101.02311	6.3
103.24239	2.3
105.87924	2.2
109.02811	4.3
109.99982	9.5
111.00766	6.3
113.02321	3.2
116.92732	5.0
121.02847	13.9
122.03619	8.9
123.00822	3.9
124.01546	2.9
125.02330	6.8
137.02328	4.0
137.99495	3.3
139.00264	17.3
143.23553	2.2
147.04390	6.4
150.03108	3.8
151.00272	7.4
152.01065	4.5
153.01941	3.3
158.59872	2.2
159.04408	4.9
160.05232	15.7
161.05730	8.0
162.06171	2.6
163.03854	3.0
164.04544	2.8
165.05429	14.3
165.99030	15.5
166.99789	7.0
168.70200	2.5
169.01297	3.2
175.03749	2.8
175.07529	10.7
176.07935	7.9
177.05531	3.2
178.06226	5.7
178.99797	13.4
179.07098	5.5
191.96400	2.4
199.03847	3.8
201.01898	2.5
224.41541	2.3
227.03352	5.4
242.02048	5.0
243.02928	7.7
255.02806	3.6
259.02426	4.0
267.71939	2.5
270.01605	8.7
271.02463	49.5
272.03146	5.5
273.03973	3.5
287.01917	34.1
288.02567	5.7
299.01932	24.6
300.02423	4.8
301.03619	2.4
316.02240	80.4
317.02982	32.5
329.13885	22.2
330.14276	35.2
331.14502	10.3
346.14044	6.1
354.12183	2.3
361.16531	64.1
391.23468	5.4
479.08344	4.1
521.01416	4.8
521.09332	100.0
521.25952	3.8
522.09644	10.9
523.27710	9.8
565.28693	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	565.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	2.5
59.01256	8.9
65.00194	1.0
69.03347	0.9
71.01267	9.6
71.59755	1.5
72.99162	2.2
73.02812	1.1
75.00738	3.3
78.95788	1.0
83.01270	2.0
83.45161	0.8
85.02824	9.9
87.00729	1.8
89.02318	3.9
95.01265	2.3
96.95869	2.0
99.00755	2.3
101.02341	2.1
107.01272	2.6
109.02825	2.3
113.02357	4.4
115.00243	1.1
121.02847	1.5
123.00763	1.2
123.04422	1.0
124.01557	4.6
125.02363	11.2
129.01796	1.9
135.04396	1.6
137.02342	5.0
151.00256	6.9
151.03922	1.7
152.01015	1.5
156.74156	0.8
163.03902	1.0
164.01022	2.0
165.01805	2.8
165.05472	1.9
169.01332	4.4
177.01820	1.0
178.99821	6.7
179.07086	1.4
191.01979	1.4
195.06657	1.7
203.03378	1.8
209.02853	1.1
213.06862	0.9
214.02654	6.1
215.03400	1.2
223.04395	1.0
223.09702	1.3
231.02959	1.0
242.02257	7.1
243.02966	5.7
259.02481	6.4
261.03934	1.2
270.01712	7.3
271.02481	41.0
272.02792	2.9
287.01978	23.5
288.02472	3.4
289.07181	2.1
299.05576	2.2
316.02240	100.0
317.02829	18.8
317.06528	1.6
339.79675	0.9
361.16458	2.0
403.11218	1.9
422.02155	0.9
479.08276	4.2
490.00247	0.8
521.09283	65.3
522.09686	8.7
529.16986	1.3
547.18719	1.1
565.25238	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0477
Annotation	UDP-alpha-D-galactose
Peak:m/z	Relative Intensity
62.96273	1.1
67.37962	0.3
68.56719	0.3
71.01235	0.5
71.06196	0.8
71.06541	0.4
76.33613	0.3
78.45695	0.3
78.95775	100.0
81.64078	0.4
85.02824	0.5
87.00730	0.9
96.96838	31.8
97.02872	0.3
111.01888	6.7
113.02364	0.6
120.96886	2.2
121.39332	0.4
138.97949	2.6
146.98477	0.4
150.97928	2.1
153.90016	0.4
158.92450	14.3
158.93770	0.9
174.97934	0.5
176.93517	1.2
192.99034	0.6
200.61128	0.3
211.00052	3.9
241.01122	7.5
259.02222	0.4
272.95670	3.0
280.02197	1.6
305.01724	0.7
320.97797	3.0
323.02835	67.6
324.03131	3.6
384.98468	5.0
402.99640	1.7
467.07040	0.5
565.04413	15.3
566.05048	1.3
570.68939	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74797	2.9
57.03323	3.0
59.01249	21.4
62.53253	3.5
62.96037	2.4
65.00201	15.2
68.99709	3.4
69.70125	16.8
71.01241	12.8
72.99168	4.7
73.02821	3.0
74.02343	2.6
75.00750	8.0
75.32845	2.7
79.05404	2.7
81.03286	3.7
83.01264	10.1
85.02836	13.8
85.67479	2.6
87.00742	4.4
89.02317	6.3
93.03347	11.0
95.01264	5.9
96.99211	3.5
98.19804	5.7
101.02328	6.4
107.01270	9.2
108.02077	6.8
109.02856	3.4
109.99986	6.1
111.00755	22.1
113.02291	10.0
116.92741	4.7
117.03344	9.1
119.04864	3.4
121.02838	7.1
123.00758	12.6
123.04389	4.1
124.01564	3.8
124.92450	3.1
125.02324	18.4
129.03357	2.9
132.02065	7.1
133.02852	4.5
135.00774	5.1
135.04436	2.8
136.98717	4.1
137.02348	8.6
137.99477	7.3
139.00261	29.5
141.03444	3.7
143.04916	5.5
145.02843	7.9
149.02246	5.3
151.00291	39.1
151.03891	3.3
153.01825	8.7
153.98947	5.4
154.99744	8.7
155.04865	3.3
159.04430	9.6
161.02431	2.9
163.00272	3.5
164.98248	7.9
165.01895	5.3
165.98930	6.2
166.99763	5.7
168.00468	3.7
169.01329	12.7
171.04408	10.9
173.06009	5.3
178.99779	30.7
181.98454	8.9
183.04440	6.3
187.03917	9.7
191.03375	3.3
194.99245	3.8
199.03915	11.2
201.01958	3.5
201.05550	7.0
203.03561	3.7
209.00832	9.0
214.02625	3.8
215.03392	8.8
216.04190	6.0
217.04951	13.6
227.03421	21.0
229.05034	4.3
231.02905	7.3
242.02187	4.9
243.02898	11.7
245.04495	8.1
251.12862	4.3
251.67456	3.3
255.02957	35.8
256.03641	3.6
259.02441	3.8
270.01743	4.5
270.99728	5.7
271.02466	65.2
272.02988	5.6
273.03955	16.0
283.02460	3.3
284.03302	8.0
285.03961	4.7
287.01904	26.7
288.02826	4.2
299.01944	100.0
300.02496	12.4
301.03601	7.3
316.02246	77.9
317.02927	45.3
318.03320	2.9
354.88913	3.0
359.15103	3.1
360.15112	5.3
361.16385	3.2
409.07803	11.2
421.11734	3.5
479.08725	7.1
521.09363	94.2
522.09802	11.5
553.60516	3.0
565.25006	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	563.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.4
57.03329	4.2
58.00469	1.7
59.01255	100.0
60.01583	1.1
68.13278	0.4
69.03342	1.2
69.37410	4.4
71.01257	35.3
72.01631	0.5
72.65135	0.5
72.99192	1.8
73.02819	7.1
75.00745	0.7
83.01261	4.4
85.02827	18.5
85.99979	0.7
87.00746	2.6
87.04412	1.6
89.02319	14.7
95.01280	4.0
95.04991	0.4
97.02836	1.5
97.06464	0.9
98.19821	0.7
99.00755	3.4
99.04428	0.5
101.02323	18.7
101.54637	0.5
102.02664	0.5
103.75085	0.5
104.15569	0.4
111.00758	1.5
113.02335	23.4
115.00269	0.6
115.03934	0.6
117.13096	0.4
119.03405	6.4
121.02863	0.9
121.10133	1.7
123.00726	0.6
124.01568	1.3
125.02353	7.3
127.11182	0.4
129.01843	0.6
131.03394	0.9
137.02350	1.8
137.09613	0.5
139.00256	0.5
141.01871	0.5
143.03416	2.6
145.02898	0.6
147.11797	0.5
149.04437	0.5
151.03954	0.7
156.91757	0.5
157.03468	0.4
157.12259	2.2
159.02904	1.4
161.04468	9.9
165.12784	0.5
167.01901	0.4
168.00558	0.5
169.01352	1.2
169.12193	0.7
171.10201	2.0
171.13815	0.6
179.05518	2.4
183.13893	1.8
187.13321	3.6
188.13672	0.6
191.01974	0.6
201.14923	1.9
205.03502	0.4
209.03018	0.7
211.13362	1.9
221.11589	0.5
229.14420	1.3
241.04958	0.5
253.09245	4.9
258.01727	0.5
269.04651	1.2
271.06146	2.9
291.19601	0.5
299.09134	0.9
301.16681	0.6
319.17749	1.1
327.21777	15.3
328.22147	1.5
329.03091	3.2
331.17789	1.3
341.27185	2.2
344.05316	1.3
345.19159	1.8
349.18610	1.3
359.07779	2.7
359.28036	6.3
466.07495	1.8
467.08142	0.5
473.31091	1.1
485.31326	1.0
503.32297	77.8
504.32642	12.6
521.33344	21.7
522.33856	3.4
563.14233	1.1
563.26709	1.4
563.34760	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22716	0.2
52.97195	0.3
57.03322	0.6
59.01255	0.5
65.00201	1.2
68.53333	0.3
68.79339	0.2
70.01773	0.3
71.01257	0.5
81.03339	5.3
83.01267	1.0
85.06467	1.6
87.04382	1.1
97.02835	0.3
103.06779	0.3
107.01284	0.4
107.04905	0.4
108.02055	0.3
109.02842	0.3
109.06474	3.3
111.04404	4.9
113.05986	0.4
125.02337	5.1
127.07555	0.7
133.06480	1.1
136.05186	1.3
147.17616	0.3
149.02328	1.3
151.00264	0.6
151.07555	36.2
152.01039	0.7
152.07878	1.2
153.05472	0.6
165.05502	0.6
175.00272	0.6
177.05434	1.5
179.07077	0.9
185.19476	0.3
191.07045	0.9
193.04884	0.3
194.05727	0.3
195.06561	100.0
196.06894	5.5
201.05530	0.9
207.06580	0.9
209.08167	2.5
219.06581	23.7
220.06963	1.1
221.07971	0.4
229.73074	0.4
237.07651	9.4
238.07933	0.6
249.07593	2.1
261.07635	0.8
279.08847	0.3
442.94519	0.3
563.24969	6.1
564.25439	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43009	1.2
73.66634	1.0
78.95776	86.1
90.74974	1.1
96.96848	7.2
98.19826	3.1
112.87489	1.2
152.99486	63.4
157.08569	1.7
171.10193	46.8
172.10461	1.9
183.47104	1.3
202.93587	1.2
255.23270	100.0
256.23663	9.2
287.60580	1.3
307.09448	7.2
391.22574	23.8
392.22702	1.9
409.23578	17.4
410.23642	1.6
563.33252	7.7
564.33295	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14804	0.6
55.01759	1.7
57.03322	4.9
58.00467	1.5
59.01253	100.0
60.01601	0.8
60.09098	0.5
67.61155	0.5
69.03327	2.1
69.47487	1.6
69.47890	3.5
71.01258	34.6
72.99180	2.8
73.02824	6.2
75.00747	3.8
80.10163	0.5
83.01251	4.6
84.02028	0.6
85.02827	22.7
85.18408	0.5
87.00764	4.0
89.02319	13.3
95.01273	4.2
96.95909	0.7
97.02863	1.5
97.06511	1.1
99.00764	3.6
101.02321	15.4
109.02833	0.6
111.00800	1.9
111.22720	0.6
113.02332	24.1
114.02793	0.6
116.49451	0.7
119.03412	3.6
119.04918	3.2
120.05304	1.1
121.02879	1.0
124.01559	1.1
125.02342	5.9
129.01871	0.9
137.02394	2.0
137.09651	1.5
143.03409	3.3
149.04453	0.8
150.03094	0.6
151.03893	0.7
155.10681	2.7
157.12286	1.3
159.02907	0.8
161.02388	0.6
161.04509	5.1
163.03964	1.7
164.04324	0.9
165.01797	0.8
167.03416	1.1
169.01387	0.9
171.10170	2.7
179.05600	1.3
179.70386	0.6
191.01971	0.9
201.14969	1.8
209.02991	0.6
211.13390	3.5
229.14423	2.8
230.15266	0.9
241.05112	1.4
253.09279	7.2
269.04684	1.9
283.06137	0.8
284.06995	1.1
299.09348	2.5
327.21786	18.7
328.22226	1.9
341.13840	0.6
341.27109	1.7
359.15103	1.2
359.28082	10.9
359.32217	0.8
383.28409	0.7
401.16223	1.4
428.12888	0.6
455.30496	0.8
473.31598	0.7
503.16821	1.6
503.32275	68.0
504.32681	9.6
521.33295	27.3
522.33972	4.6
545.33020	0.9
563.26263	5.3
563.34784	1.4
564.27411	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03033	0.6
55.01754	1.2
57.03312	1.2
58.00468	1.3
59.01250	100.0
60.01593	1.2
61.98708	1.8
69.03333	2.0
69.23547	0.6
70.90446	1.4
70.90808	0.7
71.01251	42.7
72.99184	2.6
73.02819	47.5
74.03175	1.0
75.00761	1.1
78.95782	1.3
81.03326	0.7
83.01259	13.4
83.01714	1.1
85.02824	7.3
87.00771	1.8
89.02314	11.0
95.01279	2.7
99.00786	1.1
101.02319	46.9
102.02683	0.7
104.58442	0.6
108.02052	2.4
113.02334	18.2
117.03360	0.6
119.03381	5.1
123.04441	2.2
125.02329	4.4
131.03391	4.8
143.03380	3.9
145.02887	1.7
147.04472	0.7
148.05208	6.3
149.04440	3.2
155.03450	1.0
156.39191	0.6
158.41734	0.6
161.02412	3.4
161.04459	8.6
162.03145	7.8
162.04472	0.9
163.07530	2.9
175.03958	0.7
177.05508	4.6
179.35648	0.7
180.04391	0.6
181.88408	0.6
192.04176	0.7
193.05069	0.7
195.06654	0.7
197.11729	1.4
203.05547	0.8
221.06602	0.8
239.16560	1.4
253.09360	2.3
269.08112	0.9
291.20010	0.7
327.21753	5.3
503.32358	3.2
521.33478	1.3
563.33594	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.1
57.03334	4.8
59.01255	16.9
63.99761	0.8
68.99669	1.3
69.03323	1.2
69.57317	1.1
69.57648	7.1
71.01254	25.9
72.99173	6.0
73.02802	2.4
75.00749	23.6
77.35633	0.7
83.01266	2.6
85.02824	28.3
86.03129	0.9
87.00761	8.2
89.02325	7.5
95.01269	3.0
96.95867	2.2
99.00757	8.0
101.02325	6.3
109.02849	1.4
109.89984	0.9
111.00768	1.3
113.02339	24.2
115.00265	2.7
117.01827	1.3
119.03391	1.9
122.38651	0.9
123.00774	1.0
124.01564	1.0
125.02338	3.1
129.01831	1.4
131.03369	2.0
149.99527	2.0
151.00175	1.0
157.01414	1.3
168.00543	3.7
169.01332	2.0
173.04536	2.2
175.02411	3.4
175.03864	1.1
189.12773	2.3
191.05489	0.9
193.05031	0.9
281.91037	0.9
346.73325	0.8
387.11023	2.9
563.16760	3.8
563.23462	100.0
564.23730	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	563.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.5
57.03324	5.3
58.00469	0.5
59.01253	18.7
60.19027	0.4
60.32842	0.4
65.00167	0.4
67.01769	0.5
68.99687	0.7
69.03314	1.3
69.44080	3.3
71.01257	27.8
71.04805	0.3
72.99183	5.9
73.02813	2.8
75.00747	25.2
76.01081	0.4
80.24345	0.4
83.01269	2.8
83.70772	0.4
85.02826	30.9
86.34098	0.4
87.00755	8.0
89.02317	7.0
95.01266	3.7
96.83434	0.4
96.95885	0.7
97.02838	0.8
98.19841	0.8
99.00760	8.2
101.02332	7.6
103.00261	0.8
109.02831	1.4
111.00759	1.4
113.02333	28.4
114.02682	0.9
115.00254	2.8
117.01811	1.4
119.03381	1.8
119.26705	0.4
121.02821	0.8
123.00768	0.4
123.08038	0.7
125.02348	2.2
129.01828	1.4
131.03360	0.6
135.04431	0.5
137.02333	1.0
139.00311	0.5
149.02345	1.0
151.00298	1.1
153.12865	0.5
157.01337	1.6
161.04446	0.9
165.01833	0.8
169.01395	1.0
173.04446	1.3
175.00250	0.7
175.02438	3.0
178.99777	1.3
189.12848	0.4
190.02762	0.4
193.01332	1.6
193.03302	0.8
195.13824	0.8
197.15228	0.8
205.01378	1.1
207.13872	1.1
208.58992	0.4
225.14934	4.2
238.28108	0.4
243.02916	0.4
267.07220	0.9
269.07776	0.5
336.58585	0.5
351.31531	0.4
359.15128	1.1
387.10959	5.4
387.20367	3.4
388.11273	0.7
489.21924	0.4
497.22906	0.4
545.22388	1.3
563.23444	100.0
564.23810	13.4
573.91199	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00980	0.4
58.11781	0.3
59.01237	0.9
63.75526	0.3
71.01250	0.5
71.24550	0.6
83.35242	0.3
93.03305	0.6
93.76088	0.3
95.39005	0.3
121.02039	0.6
121.02839	4.4
122.03635	1.6
123.00721	0.5
123.04387	0.5
125.02292	0.5
128.03432	0.5
134.03720	0.5
136.01547	0.6
136.05234	1.1
137.02277	0.9
137.05963	0.7
139.03954	0.4
143.04903	0.8
146.03535	0.6
147.04413	2.3
149.02357	1.7
150.03120	5.6
153.05498	0.4
158.03612	3.0
159.04425	9.1
160.05203	29.5
161.05972	7.6
163.03900	4.9
164.04703	5.4
173.05965	3.3
174.06770	0.4
175.07556	23.8
176.04686	0.9
176.07901	0.9
176.46895	0.4
177.05467	6.3
178.03839	0.4
178.06270	7.8
179.06863	0.4
192.07805	0.8
193.08591	2.0
225.37152	0.4
263.60162	0.5
292.37061	0.4
314.11569	0.9
329.13925	100.0
330.14264	9.6
341.14526	0.3
359.15118	1.7
382.44632	0.4
487.43884	0.4
512.26080	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.0
57.03307	2.0
57.68630	0.9
58.00461	2.0
59.01250	100.0
60.01569	1.3
69.03317	1.8
69.26328	9.6
71.01252	60.1
72.01592	1.0
72.99181	1.6
73.02818	51.1
75.00755	1.0
80.08328	0.9
81.03319	1.2
83.01257	20.3
84.58041	0.8
85.02816	12.6
87.00764	1.7
89.02322	18.8
90.91486	0.8
95.01243	4.6
96.95881	2.4
99.00774	2.2
101.02321	59.4
102.02666	0.8
108.02031	2.8
109.02848	4.8
113.02326	32.2
114.02637	1.3
119.03375	9.4
121.02839	5.9
122.03619	3.5
123.00835	1.1
123.04401	5.3
125.02330	5.5
131.03403	5.5
135.04366	1.7
137.02327	2.4
143.03391	4.9
149.04454	6.1
150.03131	1.2
151.03799	1.1
154.02576	1.0
155.03378	1.8
158.03642	1.1
159.04381	4.8
160.05200	12.3
161.02368	1.1
161.04449	13.6
161.05952	4.4
163.03893	0.9
164.04675	1.1
165.05605	1.0
172.05153	6.1
173.05937	3.8
174.03065	1.3
175.04056	1.2
175.07559	6.1
177.05435	1.9
178.06279	1.1
179.05574	1.7
187.07591	2.1
189.05482	12.0
190.06279	13.3
191.06755	1.0
204.07774	1.0
205.08640	12.0
208.07289	1.6
218.80223	0.9
221.06693	1.3
223.09697	3.5
281.08081	3.9
293.08185	1.4
295.09726	2.3
296.10403	6.6
310.08530	1.1
311.12814	10.6
326.11569	1.8
329.13882	8.6
330.13806	1.1
341.13916	62.4
342.14282	6.9
359.14993	9.8
360.15652	0.9
385.13040	1.1
493.62784	1.0
503.19220	16.3
504.19382	2.4
521.20111	3.7
524.65576	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	10.3
59.01257	71.4
61.98702	11.5
64.05843	5.4
70.23674	24.1
71.01260	33.6
71.01591	5.8
73.02816	6.3
75.00738	13.6
83.01247	5.4
84.52873	4.7
85.02822	50.8
87.00754	4.7
89.02344	7.0
93.22523	4.4
97.02831	6.1
101.02320	12.9
101.02989	5.1
113.02307	14.9
123.00729	6.1
125.02374	25.5
137.02344	7.1
151.42766	5.6
163.03891	6.3
164.04659	8.8
169.01311	10.0
169.96533	4.9
191.01883	11.3
240.28404	5.7
241.05183	6.4
249.14973	7.6
269.04547	19.1
269.08090	24.1
270.05020	8.2
284.06924	36.5
285.07532	33.0
299.09219	61.4
300.09897	16.8
315.12442	100.0
316.12680	10.6
327.21790	9.5
346.40750	5.4
503.32135	21.1
563.52271	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29706	0.3
59.01252	100.0
60.01596	0.9
70.90062	0.8
71.01259	0.6
77.21008	0.2
78.95824	0.3
101.02339	0.5
102.86459	0.2
121.02847	5.7
121.03663	0.4
122.03137	0.4
132.43930	0.3
141.40135	0.3
152.99512	0.2
299.09250	4.3
359.28067	0.4
503.32437	1.0
521.33295	0.9
562.33307	1.1
563.34186	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	563.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	3.1
59.23917	0.2
69.66516	0.8
69.66929	1.2
71.01244	1.1
85.02805	0.6
85.25942	0.3
93.03339	0.5
96.95885	0.5
98.19814	0.3
101.02361	0.4
108.02061	0.4
109.02847	0.8
111.00731	0.4
121.02840	3.8
122.03633	1.7
123.00762	1.0
123.04397	0.7
125.02309	0.4
135.04372	0.4
136.01566	0.5
136.05193	1.0
137.02325	1.0
137.05995	0.4
138.03142	0.4
143.04938	0.6
145.02917	0.5
146.03636	0.5
147.04422	2.9
149.02351	1.7
150.03139	6.0
151.00215	0.4
151.03876	0.6
153.05463	0.3
158.03671	2.7
159.04430	10.5
160.05217	27.3
161.06006	8.1
162.06317	0.5
163.03915	6.1
164.04713	5.2
165.20612	0.3
168.04115	0.3
173.06007	3.9
175.07571	24.6
176.04721	0.8
176.07825	1.5
177.05482	7.4
178.06290	6.1
178.86615	0.4
178.99797	0.4
179.03435	0.5
179.06796	0.5
192.07968	0.7
193.08636	2.8
241.04961	0.4
257.00790	0.4
269.00833	0.6
271.02548	0.4
284.59937	0.3
287.02054	0.5
297.00323	0.8
298.00888	0.4
299.01981	0.3
299.12811	0.6
314.00708	0.3
314.11462	0.8
315.01575	1.0
329.13934	100.0
330.14258	10.7
341.13928	0.4
344.12552	0.4
359.15054	2.0
401.16440	0.4
467.64166	0.4
473.18286	1.3
503.19345	1.7
519.07715	0.6
519.15094	0.5
521.20148	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	24.6
70.00024	24.1
70.61850	5.0
71.01255	8.3
85.02832	29.4
92.66685	4.6
101.02336	13.3
113.02340	11.7
125.02338	17.2
135.04329	8.7
153.14810	4.7
163.03870	6.5
191.01945	10.7
196.60843	5.3
269.08228	21.8
270.05359	8.5
285.07712	25.8
300.10004	20.4
315.12399	100.0
316.12589	12.3
503.32623	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	5.9
58.49981	3.4
59.01253	44.3
69.35001	11.5
69.35423	22.1
71.01263	29.5
72.99183	5.5
73.02826	7.0
75.00738	8.9
83.01268	8.2
85.02826	34.1
86.71268	3.0
87.00759	3.6
89.02322	12.6
93.03349	4.2
96.95895	36.6
99.04386	5.8
101.02322	12.7
107.01248	5.6
108.02081	6.7
109.02833	15.9
111.00770	4.2
113.02330	18.0
121.02843	36.0
122.03616	13.2
123.00743	5.7
123.04381	18.3
124.01595	4.6
125.02345	17.2
129.01814	4.0
135.04440	6.0
137.02371	11.9
137.05991	3.7
146.03658	4.0
147.04466	5.4
149.02327	5.4
149.04401	7.1
150.03070	3.8
151.00261	20.8
159.04372	6.6
161.02437	4.8
161.06009	3.9
163.00307	4.4
163.03899	8.2
164.04729	4.1
165.01830	3.9
165.05519	5.9
169.01341	7.3
173.06108	3.7
177.01825	3.9
177.05394	4.4
178.99799	21.4
179.03448	4.1
179.06990	6.4
189.05475	4.2
193.01277	4.2
205.01404	7.9
207.13870	5.5
208.07304	13.9
209.07993	3.8
213.05518	7.6
223.09702	38.2
230.02209	4.1
231.02946	5.5
237.11302	6.2
239.03316	4.2
241.04968	6.9
251.12842	26.3
255.03008	6.3
256.03683	5.0
257.04535	42.7
271.02615	8.5
272.06897	43.2
273.07257	6.0
285.04074	6.2
285.07614	9.3
287.02026	20.1
287.09247	13.5
299.01920	8.2
300.02640	13.6
300.06207	7.5
311.13068	4.0
315.01401	11.0
315.05267	8.0
315.08746	100.0
316.09311	5.7
341.13953	8.0
344.12689	5.8
359.14993	92.0
360.15396	11.0
369.09744	5.3
387.10870	19.7
431.13480	6.0
431.19156	9.3
466.07196	6.1
471.90808	3.7
519.14722	3.9
563.13556	10.5
563.23480	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	563.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.8
57.03319	4.9
59.01249	21.8
59.88478	1.5
65.00206	2.4
68.99686	1.5
69.03333	3.9
69.93119	7.3
71.01257	28.7
72.99184	12.3
73.02820	3.9
75.00748	13.7
83.01265	2.8
85.02821	34.9
87.00751	5.8
89.02328	7.6
93.03339	3.7
95.01270	4.6
96.95901	3.2
97.02843	1.5
97.06505	1.9
99.00774	7.9
100.93708	1.4
101.02337	5.9
103.00224	8.8
107.01293	3.9
108.02080	1.6
109.02839	35.5
111.00809	2.2
113.02333	27.2
115.00237	5.5
117.01842	2.3
119.01301	1.4
119.03428	1.9
121.02835	6.2
121.06427	2.1
122.09464	1.4
123.00768	2.1
123.04411	2.8
125.02330	8.6
129.01843	6.3
131.03439	2.4
133.02838	2.2
135.04416	5.0
137.02342	8.1
139.03909	4.2
145.02950	1.9
146.03569	2.4
147.00780	5.7
147.04413	6.4
149.02332	8.3
149.05945	2.0
150.03059	1.9
151.00272	10.0
151.03935	4.2
151.17268	1.8
152.00923	1.7
153.01886	2.3
159.04387	2.7
161.02354	4.5
161.04572	1.6
161.05937	3.5
165.00499	1.3
165.01851	5.9
169.01361	9.0
171.04492	1.8
173.04515	1.5
173.05942	3.3
174.03137	2.0
175.00305	37.8
175.02466	12.5
175.03918	4.9
176.00868	1.6
177.01894	3.7
178.99786	10.0
179.03442	3.2
179.06992	2.4
180.04196	2.2
181.04962	1.7
187.07558	1.9
189.01886	2.5
189.05450	3.6
191.01917	3.8
191.03477	2.5
191.07185	1.8
193.01387	18.3
193.03477	18.2
193.08427	1.5
193.99226	1.6
195.06541	4.6
199.03932	1.7
199.07581	1.7
203.03481	1.7
205.01402	9.4
205.03302	3.3
205.05139	2.6
209.02975	5.9
211.09781	1.9
215.07124	2.7
217.05023	3.5
223.04379	3.4
223.06326	1.8
223.09641	1.8
225.05522	2.6
225.07591	3.2
227.03459	3.8
233.04565	2.6
234.99483	3.3
236.00125	2.2
241.04964	2.5
241.08739	2.0
243.02925	1.9
243.10246	2.9
245.08183	3.5
253.08621	2.9
255.06593	2.0
267.07086	3.1
269.04691	3.4
269.07767	2.1
271.02444	2.5
271.09897	1.9
273.07672	5.4
277.07281	4.7
297.07538	4.4
297.11115	3.4
299.09207	2.3
313.10678	3.4
315.08789	1.7
315.12463	4.0
325.07153	4.0
325.10696	2.6
331.11826	1.9
337.07846	4.0
341.10297	4.5
343.11633	2.0
344.12558	3.8
355.08960	2.3
355.23151	1.6
359.11310	47.3
359.15054	6.7
360.11737	5.2
369.09808	24.2
370.10202	3.5
387.10883	100.0
388.01410	13.7
388.11209	9.2
523.50311	1.5
563.14032	28.4
563.23431	30.1
564.06030	1.7
564.15784	6.5
564.24432	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1044
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
50.38092	5.6
55.07552	5.0
56.87289	6.0
59.01249	95.0
65.28598	5.4
67.01798	5.0
69.50925	47.5
71.01247	17.5
73.02799	6.6
75.00748	8.0
85.02823	24.0
89.02315	12.5
96.95914	8.9
99.04440	6.3
101.02334	12.4
105.68304	5.1
113.02309	17.8
119.03373	6.3
123.00732	6.4
125.02380	13.9
149.04358	5.3
149.04802	8.9
149.05986	89.9
150.06328	6.1
151.00256	6.0
151.03870	7.7
165.41739	5.3
209.08142	99.1
227.03253	7.9
243.02815	16.9
251.12924	13.8
255.02936	19.9
271.02490	37.5
299.01953	57.6
300.02652	21.7
314.04395	41.3
315.05060	80.4
316.05301	7.2
371.09113	7.1
371.13501	100.0
372.13779	7.4
431.18933	6.2
440.08536	6.0
466.07272	9.0
519.11426	24.4
520.11707	7.0
555.06726	6.2
563.22485	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	563.1194
Annotation	Theaflavin
Peak:m/z	Relative Intensity
57.03325	10.5
59.01250	13.9
60.52757	0.9
61.02253	1.0
67.01762	1.3
69.03327	1.6
69.92632	1.0
69.93194	6.1
71.01240	6.1
73.02814	1.6
75.00735	1.5
78.65984	1.0
81.03329	7.1
83.01249	14.1
84.01543	1.1
85.02812	3.5
87.00718	1.4
87.27097	1.1
89.02325	1.3
93.03303	2.4
95.01251	2.2
95.04897	9.5
97.02837	5.5
99.00771	1.3
99.04406	3.0
101.02340	3.6
107.04871	2.0
109.02850	3.6
111.04381	1.1
113.02340	2.3
113.05965	2.3
121.02834	3.4
123.04423	2.3
125.02335	60.1
126.02679	1.5
137.02342	44.2
137.05962	1.9
139.03873	3.6
149.02312	3.8
151.03922	10.5
157.06532	2.2
161.02376	1.3
163.00273	2.3
163.03961	1.7
164.01097	6.8
165.01825	18.6
166.02443	2.5
166.69180	1.0
167.03423	26.5
167.04764	1.1
171.04401	1.7
172.05240	1.1
173.05969	3.6
175.03949	2.0
177.01811	2.3
179.03407	8.3
181.05002	9.0
183.02907	1.7
183.04408	1.2
185.06000	4.5
187.03862	2.1
188.04753	2.2
189.05475	6.3
191.03331	1.8
195.04411	1.9
196.05193	1.6
197.02446	1.3
197.05975	3.0
198.03108	2.0
199.03995	3.3
201.05519	10.9
202.06189	1.5
203.03375	1.2
203.07155	1.9
207.02986	1.2
211.03989	7.3
212.04733	4.4
213.05482	17.4
214.02698	2.7
215.03452	12.0
215.07011	1.2
216.04137	2.4
217.04964	6.3
221.05974	1.2
223.03963	1.8
224.04755	1.2
225.05495	8.0
226.02710	1.9
226.06128	1.6
227.03484	5.5
227.07153	1.1
228.04211	2.2
229.05020	21.4
230.02100	1.2
230.05553	2.6
231.06512	7.1
235.03946	2.2
237.05415	1.9
239.03427	2.6
239.07072	2.4
240.04141	4.0
241.05022	100.0
241.36313	1.0
242.02202	4.5
242.05383	9.7
243.02995	8.2
244.03693	3.1
245.04488	2.2
249.05507	1.7
251.03429	3.0
251.07118	3.5
253.05074	12.5
254.05693	3.6
255.06573	1.6
256.03717	3.6
257.04523	26.7
258.05060	2.9
259.05981	6.4
263.03503	1.3
263.07156	3.0
264.04312	1.4
265.05118	5.9
267.03043	1.7
267.06610	4.2
268.03696	1.7
269.04532	32.6
270.04947	3.8
271.06226	1.4
277.05005	2.2
278.05646	2.1
279.06720	3.7
279.09729	1.1
281.04596	14.2
281.07742	1.8
282.05020	2.0
287.05682	1.9
291.06635	4.0
292.07382	3.6
293.04587	4.8
293.08136	3.6
295.06219	3.4
296.06567	1.4
297.07693	2.7
299.05841	2.6
303.06467	2.4
305.08212	1.5
307.06052	1.6
309.07709	3.4
311.05719	1.6
311.09000	2.0
313.06824	1.2
320.06784	2.0
321.07697	3.2
323.05508	2.1
333.07782	3.3
335.05548	1.6
335.09186	3.8
337.06961	2.8
339.08728	3.5
343.06195	1.4
345.07507	2.7
348.05841	1.3
351.08954	2.5
353.06677	1.6
353.10483	2.4
355.08252	2.1
358.13864	3.2
359.14169	3.2
361.07071	4.9
363.08734	4.6
365.06522	1.8
373.07068	1.6
375.08820	2.5
377.06625	4.8
379.08136	10.0
380.09079	1.3
381.09790	3.8
383.07584	1.9
389.06726	8.2
391.08194	1.4
393.09579	1.4
395.07935	6.5
396.08151	1.7
397.09293	6.0
401.06766	2.2
407.07742	12.1
408.08054	1.9
419.07806	3.5
424.08118	2.2
425.08789	14.1
437.08630	2.5
457.13062	1.2
477.11826	2.5
483.10831	1.7
501.11536	1.9
503.32141	5.3
517.10797	1.8
519.12860	4.3
521.33398	3.1
527.09735	3.1
545.10840	8.0
563.11951	47.8
563.21167	1.5
564.12549	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.7
57.03318	4.4
58.00473	1.4
59.01253	100.0
60.01590	1.2
61.98707	1.1
65.00193	0.5
67.01769	0.4
69.03325	0.8
70.88515	1.2
71.01256	34.5
71.04897	0.5
72.01621	0.5
72.99183	3.5
73.02822	6.7
75.00758	1.8
81.03339	0.7
83.01273	4.5
83.04929	0.5
85.02827	18.9
85.99963	0.5
86.03158	0.5
87.00759	3.2
87.04472	0.5
89.02321	15.4
93.03352	0.5
93.07063	0.5
95.01256	4.2
96.95902	0.7
97.02850	1.5
97.06481	0.9
99.00750	2.9
101.02326	17.6
107.01302	0.6
109.02858	0.6
111.00793	1.2
113.02332	23.6
114.02696	0.6
115.00308	0.5
119.03392	7.2
119.04884	0.8
121.02899	1.2
121.10136	0.6
123.04457	0.6
124.01600	0.8
125.02348	7.7
125.03230	0.5
125.09590	0.6
126.02633	0.5
129.09128	0.9
131.03410	0.6
132.02071	1.0
134.03639	0.8
135.04422	2.3
137.02388	0.8
143.03416	2.2
143.10695	1.2
149.02429	0.6
149.04408	0.6
151.00275	2.7
151.11177	0.5
153.09201	0.7
155.10718	0.5
156.65820	0.4
159.02989	1.0
160.01578	2.4
161.02354	1.3
161.04462	6.1
161.56825	0.5
164.32535	0.4
165.01889	0.7
167.03409	0.7
168.00468	0.5
169.01428	1.4
171.10274	1.0
175.00287	0.4
175.03926	2.8
177.01910	0.6
178.99785	2.9
179.05516	2.4
181.12350	0.4
190.02721	0.5
191.01993	0.4
193.05006	0.8
203.07396	0.4
205.05080	0.6
208.03870	0.4
209.11801	1.8
215.16232	0.4
235.40643	0.4
240.04262	0.6
253.09280	0.5
255.03217	0.7
267.07056	0.5
268.03964	0.4
271.02530	0.7
271.06158	1.1
273.04150	0.5
277.21573	0.4
283.06171	1.3
284.03293	0.5
300.02798	0.6
301.03522	0.7
307.19351	0.6
309.24326	0.4
321.13513	0.9
321.24426	0.7
333.15857	0.6
339.25467	2.1
341.05066	0.8
344.18484	0.8
350.15656	0.5
351.14847	0.5
357.26514	6.2
358.26828	0.8
362.19580	1.3
371.20731	0.6
389.21820	0.9
399.10760	0.6
464.10019	0.7
465.28452	0.8
471.21194	0.5
471.29883	0.5
476.38397	0.4
483.29944	1.6
501.30704	51.2
502.31152	8.0
519.31750	19.6
520.32031	3.4
543.31390	0.5
561.25287	0.9
561.32990	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01783	3.2
56.52481	3.1
57.03324	8.1
58.57510	3.2
59.01252	64.2
61.98704	12.2
63.15538	3.7
64.77571	4.5
67.01705	3.7
69.03307	4.7
71.01263	33.7
71.60328	4.0
72.39530	3.8
72.99177	9.6
73.02821	8.2
75.00747	21.2
77.35343	3.7
78.68885	3.3
78.95770	5.0
83.01240	3.9
85.02823	52.4
87.00751	10.9
89.02313	16.3
95.01281	5.4
99.00734	12.6
101.02335	11.2
113.02347	35.1
113.07196	3.4
125.02340	7.0
125.09576	7.3
129.01837	6.1
133.02769	4.3
137.02342	4.9
137.09572	4.6
137.81467	4.1
141.29387	3.4
157.01440	4.1
161.04483	6.0
163.11142	3.8
165.01851	8.1
171.10202	7.5
181.12352	4.9
185.11807	9.4
191.14383	4.9
197.11797	6.8
205.03497	5.0
209.11783	15.5
211.13345	10.5
215.03069	3.7
245.19089	13.2
249.06215	17.9
253.09259	9.3
267.07263	5.0
289.18076	24.5
293.21143	10.9
295.02515	4.2
307.19177	15.1
311.22314	25.5
456.63095	4.2
523.77777	4.2
543.28522	5.3
561.29187	100.0
562.14227	4.8
562.29456	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	561.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47790	5.1
57.03296	10.4
59.01251	100.0
61.98698	35.8
62.90408	6.0
71.01271	37.3
71.54587	5.9
72.99163	6.2
75.00733	11.7
79.73553	6.2
83.01275	11.3
85.02846	42.0
87.00758	7.0
89.02297	26.2
93.54182	5.5
95.01324	6.8
96.95908	11.1
97.02796	6.2
97.06480	8.7
100.44044	5.7
101.02322	23.7
113.02332	23.4
119.03412	7.1
123.04436	8.3
125.02327	22.5
125.09628	20.9
159.93082	5.9
161.04478	11.0
163.11255	10.3
167.10690	10.7
171.10217	21.1
185.11746	19.2
191.14388	8.7
192.04485	5.8
209.11758	42.0
211.13278	9.0
215.23514	7.3
221.64330	6.9
227.12674	8.4
245.19104	23.2
253.09348	34.7
286.32684	6.4
289.18109	61.1
296.29391	6.1
307.19180	37.2
311.22556	8.7
561.28705	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	561.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48711	0.7
53.82353	0.8
57.03300	1.0
59.01257	39.6
63.21430	0.8
63.93043	0.8
67.01773	0.9
69.47134	6.5
69.47554	1.5
71.01264	15.4
72.99191	1.0
73.02821	14.7
75.00761	1.8
83.01265	3.8
85.02827	3.5
87.00774	1.4
89.02331	12.5
93.03321	1.5
95.01294	1.0
96.95895	0.9
99.00777	0.9
101.02328	13.3
108.02043	3.8
109.02846	1.7
113.02325	7.0
119.03393	2.9
121.02853	6.4
122.03633	4.1
123.00749	1.1
123.04455	1.1
125.02292	2.3
131.03407	3.3
136.01570	84.1
137.02260	3.9
143.03392	1.9
149.04486	13.2
149.05727	1.5
151.03928	100.0
152.04251	3.1
160.05151	1.8
161.02359	1.0
161.04474	3.9
161.13222	2.8
162.03133	1.3
163.03897	1.8
175.07570	1.0
177.05432	1.0
179.05579	1.9
183.40501	0.9
203.07021	2.0
205.12373	5.4
249.11314	8.8
260.09222	0.9
275.20016	0.9
309.11218	2.7
326.44119	1.0
339.12497	2.5
342.11063	4.1
357.13443	81.1
358.13669	8.4
385.09448	1.2
429.17761	2.4
561.14618	1.2
561.21838	7.5
562.21948	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.2
57.03312	3.3
58.00458	4.9
59.01253	93.7
60.01590	1.7
69.03340	1.6
69.59731	1.1
69.60056	7.9
71.01254	52.6
71.51760	0.9
72.99187	7.0
73.02818	14.3
75.00737	2.4
82.63613	0.9
83.01263	3.6
85.02825	14.1
87.00754	5.3
89.02320	87.6
90.02686	1.0
93.03355	0.9
95.01266	4.9
96.95889	18.5
99.00745	1.4
99.04402	8.1
101.02328	31.3
103.03909	2.5
108.02018	1.3
109.02840	1.2
111.04417	3.7
112.59765	1.0
113.02341	19.6
113.05975	2.1
119.03399	27.0
119.04238	1.8
119.04907	1.1
121.02862	1.4
125.02326	5.1
131.03394	13.7
135.04416	2.4
136.01581	5.4
143.03426	3.8
149.04463	100.0
150.04779	3.2
151.00343	3.0
151.03922	5.4
161.04471	4.6
161.13266	21.4
162.13676	1.3
168.00618	1.2
169.01297	2.2
178.99728	1.9
179.03362	1.1
179.03986	1.5
179.05542	15.7
187.11279	6.2
205.12285	75.0
206.12640	5.9
223.13422	1.1
225.42931	1.1
249.11299	87.2
250.11679	5.7
267.07098	1.7
267.12390	1.2
289.07407	1.2
304.36206	0.9
339.12473	1.8
357.13483	6.4
381.15408	11.6
385.09302	3.4
385.18637	4.1
429.17633	47.0
430.18094	5.2
457.19888	1.3
561.21967	61.8
562.22400	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	561.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26041	0.3
55.01754	3.0
59.01254	6.4
71.01262	2.5
72.99144	0.4
73.02821	0.3
75.00767	0.8
83.01260	56.4
84.01609	1.2
85.02821	2.1
87.00755	0.7
88.88503	0.3
89.02322	0.7
93.03326	0.7
95.01240	0.7
98.20317	2.5
99.00758	0.7
99.36106	0.3
101.02345	0.6
109.02838	0.7
113.02332	2.0
121.02852	8.4
122.03637	12.1
123.00770	0.7
123.04430	4.7
124.01558	0.7
125.02335	1.2
135.04355	0.6
136.01585	0.3
136.05193	2.8
137.02371	1.1
137.05989	9.7
146.03633	0.4
146.90602	0.4
147.04428	4.4
151.03799	0.3
154.02625	0.7
159.04465	0.4
161.04648	0.5
161.05946	2.8
162.06769	1.4
168.04164	1.0
175.07559	0.4
178.99748	0.3
191.07065	0.6
202.72203	0.4
204.04138	0.4
205.04921	0.4
206.05782	0.4
207.13843	0.4
209.08101	2.9
221.08154	3.3
267.07169	2.1
298.12112	0.8
313.14627	1.5
342.07245	0.6
342.11060	5.3
343.11520	0.5
357.13428	100.0
358.13773	12.3
457.20544	2.3
501.18933	1.7
501.30679	0.4
519.31824	0.4
561.21393	1.7
562.22797	0.5
582.96106	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.8
57.87099	0.2
59.01245	2.7
60.18351	0.2
66.28074	0.2
67.74513	0.2
69.33449	1.5
69.33867	0.5
71.01250	1.1
73.02831	0.2
75.24856	0.2
77.28150	0.2
83.01256	55.0
84.01582	1.2
84.02025	0.3
85.02818	0.6
87.00788	0.2
89.02312	0.4
91.99603	0.2
93.03345	0.7
96.95872	0.3
100.51756	0.3
101.02313	0.3
108.93040	0.2
109.02827	0.5
113.02338	0.5
121.01956	0.3
121.02837	7.3
122.03632	11.2
123.00758	0.4
123.03673	0.3
123.04432	4.6
124.01556	0.6
124.04768	0.2
125.02355	0.5
131.19223	0.2
134.03580	0.2
135.04440	0.3
136.01573	0.4
136.05217	2.5
136.06203	0.3
137.02365	1.0
137.05974	9.8
138.03090	0.2
138.06361	0.3
140.58429	0.2
146.03632	0.5
147.04407	4.2
149.05930	0.3
151.03923	0.4
154.02600	1.0
159.04434	0.3
161.04619	0.2
161.05960	2.3
162.06770	1.4
168.04243	0.9
169.01390	0.4
175.04018	0.2
175.07565	0.4
191.07126	0.5
204.04227	0.4
205.04903	0.3
206.05746	0.7
209.08118	2.7
221.08124	3.8
222.08479	0.4
224.71333	0.2
261.81732	0.2
271.04773	0.3
283.09686	0.4
297.11530	0.3
298.12109	1.0
313.11032	0.3
313.14374	1.7
342.11060	5.8
343.11444	0.5
357.13409	100.0
358.13742	11.9
465.69403	0.2
501.17609	2.0
502.18063	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07807	3.3
59.01249	100.0
70.70679	7.5
71.01244	8.5
73.02832	3.6
80.90908	2.9
83.01287	3.1
85.02843	4.9
86.54591	3.0
89.02312	13.8
96.95891	12.1
98.26522	3.1
101.02332	6.0
111.83204	3.3
113.02294	4.0
121.02839	8.2
123.04454	3.9
125.02343	11.0
133.02858	6.7
135.04413	4.8
136.01602	4.3
137.02348	6.2
147.04430	3.1
149.04454	14.0
161.02394	4.4
169.01245	3.4
175.03856	9.0
177.01903	10.3
190.06279	5.4
222.05258	6.8
222.96152	3.0
251.07100	4.2
253.08676	4.7
263.07016	9.4
267.06717	3.8
269.08209	7.5
279.06598	13.2
280.07220	3.9
281.08243	12.8
291.06628	5.9
293.08340	3.9
294.08978	5.7
297.07700	36.1
298.08212	3.4
308.10507	3.8
309.07648	41.6
309.11307	21.2
310.07950	6.6
311.09158	5.9
312.10013	31.3
323.09256	9.0
324.09927	19.0
327.08762	6.8
327.12341	82.0
327.16327	4.5
328.12366	5.7
339.08801	3.5
339.12363	54.0
340.12582	5.7
561.25513	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	561.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	2.6
57.03329	6.4
59.01255	17.4
68.99687	1.5
71.01258	40.2
71.59764	1.1
72.01580	0.9
72.99187	8.0
73.02817	4.3
75.00749	37.3
83.01265	4.7
84.02024	1.1
85.02830	43.6
87.00761	11.1
89.02316	4.0
93.03304	1.1
95.01252	5.0
97.02805	1.5
99.00755	16.0
99.04431	1.1
101.02323	7.8
103.00256	1.9
109.02862	2.6
111.00748	2.0
113.02329	37.8
115.00244	3.4
117.01828	2.8
121.02841	0.9
124.01517	0.9
125.02311	4.0
129.01797	1.9
131.03421	0.9
131.07019	3.7
137.02255	1.3
151.00290	1.2
152.01038	1.3
153.05428	0.9
157.01328	1.4
159.02907	0.8
161.02328	1.4
161.04462	3.7
164.04642	0.9
167.03479	0.9
169.01289	0.9
173.04407	2.4
173.08096	2.0
175.02374	5.0
178.02663	3.9
178.99765	1.1
193.03470	1.0
193.05016	5.4
193.06566	1.0
207.06616	1.9
223.09685	4.6
261.54236	0.8
289.07217	1.1
357.09601	1.7
385.09329	5.1
561.18237	100.0
562.18500	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	561.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91325	0.4
51.95059	0.5
52.47054	0.6
55.01755	1.3
57.03331	3.8
57.43385	0.5
58.00460	0.8
59.01254	84.7
60.01601	1.0
66.43967	0.5
67.01765	0.8
68.99701	1.2
69.03322	1.0
71.01259	26.0
71.59439	0.7
72.01592	0.6
72.99191	8.2
73.02826	1.8
75.00751	18.2
80.45760	0.5
83.01263	2.1
84.02074	0.6
85.02826	33.6
87.00758	10.0
89.02323	8.9
91.03891	0.9
95.01276	7.5
96.95885	3.4
97.02817	0.9
99.00757	11.2
99.04413	0.8
101.02308	3.2
103.00261	4.1
109.02838	1.8
111.00735	2.7
112.01563	0.7
113.02339	42.5
114.02657	1.3
115.00254	3.2
117.01814	3.0
121.02854	3.8
122.03629	0.7
123.04381	0.7
125.02405	2.5
127.03886	1.0
129.01823	3.3
131.03404	1.8
135.25281	0.5
137.02330	1.7
139.00330	1.0
139.03879	0.6
141.01791	0.7
149.04521	0.6
153.01813	0.7
157.01321	1.2
159.02911	0.9
163.07552	2.2
165.05478	7.7
175.02419	3.2
175.03735	0.5
182.76717	0.5
187.06035	0.6
193.01752	0.8
193.03473	8.5
204.45628	0.6
205.07080	4.9
207.05035	1.3
225.07639	5.5
231.05023	1.5
247.08183	2.2
249.06155	13.6
250.06404	1.0
267.07224	100.0
268.07565	4.8
273.06345	0.6
289.07294	0.8
291.07208	17.3
292.07556	1.1
309.08289	43.0
310.08664	2.7
313.03549	1.0
335.06204	36.0
336.06503	2.5
356.05038	0.6
561.14429	11.9
561.21906	4.7
562.14941	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.6
57.03325	3.7
59.01253	33.7
67.01780	1.9
69.03329	2.9
69.74088	6.0
71.01254	26.4
72.99184	9.4
73.02829	2.5
75.00744	18.1
77.10384	1.0
81.03336	1.9
83.01272	1.5
85.02824	68.0
86.03158	1.9
87.00739	7.9
89.02312	5.9
91.47243	1.3
93.03329	2.8
95.01285	5.3
96.95890	2.7
99.00760	16.4
101.02262	1.7
103.00271	3.2
103.11314	1.0
108.02087	1.3
109.02866	6.4
111.00761	2.1
111.42627	1.0
113.02331	25.3
113.02953	0.9
115.00268	2.5
117.01818	2.4
121.02834	7.3
122.03622	11.3
125.02312	3.1
129.01837	2.6
131.03329	1.3
132.02890	1.3
134.00079	1.3
137.02336	2.2
147.04414	3.7
152.01065	1.7
154.02644	2.8
157.01363	3.1
159.06717	1.3
161.06012	1.6
163.07555	41.8
163.08936	2.2
164.07922	2.1
169.01411	1.3
175.02385	5.8
189.05515	7.9
193.03409	2.0
205.07188	3.1
207.06573	10.5
231.05176	1.4
249.06187	16.6
267.07230	15.3
281.10364	3.8
309.08246	2.2
335.06158	1.6
392.61038	1.3
395.13336	3.2
439.12781	5.3
457.13516	100.0
458.13855	10.8
459.81418	1.3
471.00446	1.3
517.15625	66.7
518.16003	9.9
540.04120	1.3
561.21790	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	561.055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34730	0.2
55.01760	0.4
57.03324	1.0
59.01256	4.3
68.99673	0.3
71.01255	5.3
71.39443	0.6
72.99181	3.1
73.02819	0.8
75.00748	9.8
79.95612	2.5
83.01250	1.1
85.02827	5.6
87.00746	1.8
89.02319	1.8
95.01260	0.8
95.04810	0.3
96.95891	100.0
97.02814	0.4
99.00751	2.1
99.04372	0.3
101.02313	1.3
103.00252	0.6
107.01322	0.3
109.02828	0.4
109.06409	0.3
111.00755	1.1
111.04403	0.3
113.02334	4.9
115.00269	0.9
119.03388	0.3
121.02894	0.3
123.04383	0.4
125.02341	1.4
129.01826	0.8
131.03400	0.4
135.04379	0.5
137.02390	0.4
149.04466	1.1
149.05774	0.3
151.00279	0.3
153.09129	0.5
157.01236	0.3
161.13246	0.5
163.03932	0.5
165.01868	0.3
165.09224	0.3
167.03398	0.5
169.01309	0.4
175.02382	0.7
178.02405	0.3
187.03978	0.4
191.01857	0.7
193.03470	1.3
203.03461	0.5
205.12257	0.9
213.18011	0.3
215.03375	0.3
223.13466	0.3
231.03069	0.4
233.04509	1.4
237.07695	1.3
261.03949	0.6
267.07169	0.3
271.02496	0.5
300.02734	0.3
301.03342	0.4
357.13806	0.3
366.56775	0.3
367.07614	0.3
381.06015	0.3
385.09085	0.6
385.18924	0.3
399.07178	2.3
427.19775	0.5
429.17719	0.3
441.13742	0.5
444.36563	0.3
463.08722	0.5
465.52899	0.2
485.20245	0.6
515.77466	0.3
561.21802	9.5
562.21570	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74901	0.4
55.01766	2.1
57.03316	2.3
58.00471	1.1
59.01254	89.0
60.01592	0.9
69.03336	0.6
71.01257	23.9
71.21075	1.0
72.99188	1.7
73.02825	8.3
75.00741	0.8
83.01266	3.5
84.02040	0.4
85.02827	12.5
85.99982	1.1
87.00762	1.2
89.02323	7.3
89.02831	0.6
92.19305	0.4
95.01260	2.8
97.02859	0.5
97.06493	0.5
99.00761	2.8
101.02330	16.3
106.48822	0.4
111.00798	1.3
113.02334	8.4
119.03397	1.9
125.02325	0.8
127.11174	0.9
129.01868	0.5
139.11217	1.2
143.03394	1.0
159.02927	1.0
161.04538	2.3
171.13832	1.2
293.24991	0.5
311.26068	2.9
455.30182	5.3
456.30460	0.5
473.31140	8.0
474.31345	1.3
499.29053	1.9
517.30420	2.0
530.89282	0.6
541.29852	0.5
559.31219	100.0
560.31586	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	559.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.1
57.03324	2.0
58.00474	0.8
59.01249	79.6
60.01584	1.0
60.83787	0.3
69.03330	0.7
70.13203	1.7
71.01250	18.2
72.99185	1.0
73.02816	6.8
74.80779	0.3
75.00738	1.5
83.01259	5.0
83.01715	0.5
85.02823	13.2
85.99966	0.7
87.00768	1.6
89.02320	1.0
95.01244	1.6
97.02828	0.8
99.00740	3.4
99.04428	0.3
101.02322	14.1
101.03001	0.7
111.00758	3.2
112.01544	0.5
113.02330	6.7
125.02363	0.8
129.01840	0.8
139.11180	2.4
141.12738	2.8
143.03397	0.8
145.72908	0.3
155.10680	0.4
155.14343	0.5
159.02928	1.6
161.04451	1.0
164.71889	0.3
171.13808	2.7
200.14096	0.5
309.24515	0.4
311.25919	4.0
344.18332	0.5
362.19510	1.3
400.01297	0.4
455.02515	0.4
455.30112	7.2
456.30618	1.1
473.31158	12.0
474.31552	2.0
499.29144	3.3
500.29639	0.4
517.30371	3.2
518.30707	0.5
536.25238	0.3
559.31226	100.0
560.31561	15.2
562.50574	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38188	0.5
55.01756	2.0
57.03328	5.0
58.00459	0.9
59.01254	14.9
61.98697	1.2
67.01747	0.6
68.99682	0.6
69.03326	1.3
69.36411	4.4
71.01256	22.7
72.99180	3.6
73.02824	3.5
75.00748	27.3
79.14756	0.4
82.60886	0.4
83.01261	3.1
85.02826	32.8
86.03159	0.6
87.00760	6.9
89.02311	3.4
95.01273	3.4
97.02824	1.0
99.00757	8.1
101.02323	6.6
102.72674	0.4
104.51652	0.4
111.00785	0.6
112.01543	1.0
113.02337	26.2
113.64394	0.4
114.02694	0.6
115.00258	2.0
117.01800	1.8
119.03356	0.5
125.02343	1.3
129.01843	1.0
132.04138	0.4
157.01381	0.6
161.04443	1.3
175.02423	2.4
200.95189	0.4
211.13402	0.5
276.77368	0.4
335.87512	0.5
383.24530	0.9
466.83621	0.4
541.26685	0.7
559.27570	100.0
560.27924	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	559.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	5.1
57.66412	1.3
58.00440	2.0
59.01253	31.0
61.98696	4.9
63.77694	1.1
68.99681	1.6
69.03297	1.9
70.03178	5.3
71.01252	23.9
72.99167	7.2
73.02814	2.4
75.00751	27.2
78.95796	1.4
83.04919	1.8
83.48698	1.1
85.02829	28.1
87.00757	8.4
89.02327	6.8
95.01258	5.6
96.95897	2.5
97.06504	1.4
98.19862	1.7
99.00761	16.1
101.02328	3.2
103.00249	2.5
110.22809	1.1
111.00778	2.5
111.08045	7.7
113.02334	28.1
115.00266	2.6
116.85392	1.0
117.01810	3.1
119.68372	1.1
125.02332	2.9
129.01889	1.9
136.57301	1.3
142.52946	1.4
157.01321	6.6
161.43976	1.3
169.12251	4.2
175.02357	5.3
181.12268	2.5
197.11766	37.8
198.12073	2.9
199.13329	1.8
205.07034	1.9
209.11719	2.1
211.13313	3.7
225.11151	2.3
231.04958	2.1
249.06160	18.0
263.20288	1.4
267.07062	3.4
291.19672	5.9
309.20773	12.9
310.20804	1.4
317.15952	2.0
327.21689	1.8
337.23795	2.0
527.28595	4.6
541.26434	7.9
559.27545	100.0
560.27759	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20022	0.6
51.59062	0.6
57.03322	5.1
58.00468	1.6
59.01252	19.1
61.98701	3.7
68.46949	0.7
69.03339	1.1
69.46873	5.5
71.01258	26.1
71.01660	1.3
72.99187	5.9
73.02827	2.9
73.63273	0.6
75.00746	24.5
80.60586	0.6
83.01247	3.3
84.02033	0.7
85.02824	26.9
86.03124	0.9
87.00741	7.8
89.02315	6.0
95.01273	4.4
97.02828	1.2
97.06474	0.6
98.19700	0.9
99.00764	9.8
101.02327	4.6
103.00246	1.9
109.06454	0.8
111.00754	0.8
111.08041	2.9
113.02335	30.6
114.02659	1.0
115.00256	2.1
117.01853	1.5
119.03435	0.9
125.02322	1.3
129.01808	2.0
131.03406	0.6
136.75722	0.6
137.69035	0.7
139.00224	1.1
157.01334	2.2
161.04437	1.6
169.12236	1.2
171.10172	0.6
175.02426	3.7
181.12340	1.1
195.06508	0.9
195.13821	1.7
197.11774	9.8
203.10785	0.7
205.07111	1.0
211.13283	1.0
221.11780	1.0
235.13399	1.5
237.15048	1.1
247.13368	1.7
249.06091	2.4
253.09201	1.6
253.11937	0.6
263.20218	0.8
265.14359	0.7
267.07239	3.0
287.16504	1.0
291.19589	1.7
305.17584	3.4
309.20798	4.6
327.21741	0.8
337.23672	0.8
383.11484	0.9
407.23770	0.7
431.50986	0.7
466.45584	0.6
541.26746	3.3
547.01581	0.8
559.27545	100.0
560.27942	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	559.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.2
57.03314	1.1
59.01249	15.5
60.01584	0.2
61.51011	0.2
61.83398	0.2
61.98700	0.3
65.03808	0.6
67.01752	0.5
68.99670	0.5
69.03309	0.2
70.72200	0.5
71.01250	6.5
72.01546	0.2
72.99184	1.4
73.02815	0.8
75.00745	6.1
81.03315	0.3
83.01254	0.4
83.04876	0.9
85.02823	7.0
86.03145	0.2
87.00748	2.5
89.02312	2.3
91.03880	0.2
93.03333	47.0
94.03684	1.3
95.01261	1.1
96.95880	0.4
99.00749	2.8
101.02325	0.9
103.00230	0.7
109.02855	0.3
111.00764	0.5
111.43755	0.2
112.01509	0.3
113.02332	9.3
115.00241	0.8
117.01820	0.6
119.03390	0.4
123.00713	0.4
124.01569	0.3
125.02373	1.0
129.01823	0.7
131.03348	0.3
135.00783	0.3
137.02341	100.0
138.02669	4.0
139.00330	0.3
149.02350	1.2
149.04292	0.2
150.06711	0.4
155.03378	0.3
155.92778	0.2
157.01317	0.4
161.02393	0.3
161.13214	1.0
164.04677	0.6
168.73880	0.2
173.04465	5.3
175.02405	1.0
187.11324	0.3
205.12279	3.0
207.05009	0.3
211.13280	0.3
223.06050	1.0
231.05061	0.4
249.06143	5.2
249.08559	0.4
250.06555	0.3
267.07196	24.9
268.07486	1.3
309.08270	0.5
369.57898	0.2
388.16452	0.2
397.11395	1.2
421.13489	2.6
448.40048	0.3
455.19238	10.0
456.19388	1.4
499.18195	3.8
500.18832	0.4
541.19232	0.6
559.20734	7.0
560.20758	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.1
55.37248	0.8
57.03319	5.7
58.00455	0.9
58.46622	1.0
59.01253	45.7
61.98688	1.0
65.00195	1.4
67.01745	1.4
69.03330	1.9
69.64439	3.0
69.64865	4.4
71.01254	33.0
72.99176	6.4
73.02824	4.3
74.02325	1.2
75.00745	15.7
83.01261	3.9
85.02821	28.1
87.00764	8.4
89.02322	15.1
91.03910	1.2
93.03313	2.0
95.01262	6.7
96.95873	1.4
97.02836	1.5
98.20553	1.1
99.00761	10.6
101.02332	13.0
103.00262	3.3
107.01253	3.3
109.02813	1.7
111.00754	2.9
111.04355	1.1
112.05109	1.1
113.02335	36.2
114.67374	0.9
115.00267	2.4
117.01794	2.9
117.03347	11.7
119.03391	3.0
119.04920	33.5
120.05235	1.2
121.02859	2.8
123.04433	1.8
124.01582	1.1
125.02338	7.6
129.01796	3.3
131.03401	2.4
135.04399	1.1
137.02333	3.0
143.03439	1.0
145.02859	48.6
146.03191	2.0
147.02905	1.6
147.04391	1.0
150.03123	1.5
151.00279	9.0
151.03935	1.2
152.01038	2.9
153.01848	1.1
157.01286	1.2
161.02351	1.7
161.04480	3.6
163.03925	37.1
164.04498	1.6
169.01262	5.6
173.04477	4.3
175.02380	3.1
178.99779	9.2
179.05557	2.5
187.11342	1.1
193.03403	2.8
207.05167	1.3
215.07115	2.8
227.07173	1.3
237.07579	2.9
240.37807	1.0
241.05199	1.3
249.06133	14.2
253.05022	1.6
261.07693	1.3
267.07208	69.4
268.07394	4.9
268.53439	0.9
275.11743	1.2
307.06088	1.2
309.08249	9.2
351.10941	8.9
352.10938	1.0
361.07135	3.3
379.08167	2.6
395.09842	8.0
397.09494	3.1
413.10889	100.0
414.11224	11.2
455.19391	1.2
499.29037	3.1
521.33337	9.3
522.33417	1.0
523.22028	1.7
523.35028	6.1
558.31305	3.1
559.13153	12.3
559.21051	9.9
559.31299	30.0
560.21442	1.9
560.31726	1.7
575.81635	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23676	1.5
55.01756	2.2
57.03325	13.8
59.01252	70.7
69.03337	3.2
69.35749	1.5
69.63326	3.1
69.63728	8.7
71.01254	45.6
71.09514	1.5
72.99168	9.0
73.02831	7.5
74.02343	1.9
75.00745	19.6
83.01250	5.4
84.70371	1.5
85.02825	36.6
85.03343	1.9
87.00748	11.6
89.02324	18.3
93.03334	3.8
95.01273	8.8
96.65131	1.8
96.95910	3.5
98.19832	3.1
99.00750	13.2
99.04396	3.9
100.37814	1.6
101.02329	17.8
103.00262	2.3
103.37673	1.5
107.01269	4.2
109.02856	4.6
111.00777	3.3
113.02335	44.4
115.00270	3.3
116.92723	2.3
117.01855	2.9
117.03361	14.5
119.03404	5.6
119.04920	40.9
119.05728	3.0
120.05225	1.7
121.02870	3.5
123.00758	2.3
123.04424	2.7
124.01588	2.3
125.02332	13.0
129.01846	5.4
131.03409	1.6
134.03619	1.8
135.04420	2.0
137.02362	4.1
139.00290	2.1
143.03409	2.1
145.02870	52.3
146.03209	2.7
149.04462	1.6
151.00272	16.2
152.01126	3.7
153.01857	1.7
157.01343	1.9
161.02388	2.4
161.04504	7.1
163.03925	45.2
163.07545	1.8
169.01343	7.7
173.04492	3.1
175.02455	3.8
175.03891	2.4
177.01900	2.4
178.99763	7.0
179.05583	3.9
193.03485	3.4
209.08058	2.9
227.06999	1.7
236.27956	1.7
237.07716	3.6
243.03160	1.9
249.06212	13.0
255.02917	2.0
267.07196	74.1
268.07523	3.6
291.07141	2.0
309.08328	11.8
333.07404	1.6
349.03458	1.7
351.10867	8.8
361.07169	4.0
379.08313	3.0
395.09982	8.4
397.09216	3.2
413.10876	100.0
414.11218	11.8
431.90204	1.7
499.29324	2.8
521.33325	11.3
522.33875	2.0
523.21417	2.4
523.34668	7.5
558.31195	4.5
559.13092	12.8
559.21271	19.9
559.31403	50.8
560.14203	2.2
560.32098	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20975	0.3
54.48447	0.2
55.74485	0.3
59.01237	0.7
66.59602	0.2
74.96130	0.3
78.95773	12.2
82.86911	0.3
98.19762	0.6
121.99993	0.4
133.87459	0.2
140.01093	3.0
145.58455	0.2
148.70204	0.3
152.99500	1.3
196.03732	4.1
205.74377	0.3
214.04814	3.4
222.00208	0.4
229.65193	0.3
242.21941	0.4
279.23276	100.0
280.23615	8.3
400.59277	0.3
476.27805	22.5
477.28207	3.2
558.27063	2.7
559.27478	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46072	1.0
57.59538	0.9
58.40484	0.8
61.23877	0.8
66.62431	0.8
71.58190	1.4
76.78576	0.9
78.95781	22.8
94.52311	0.9
100.59278	0.9
109.07626	1.0
152.99524	2.3
168.04193	2.8
181.27692	0.9
198.56372	0.9
224.06877	7.9
242.08014	1.9
255.47701	1.0
283.26419	100.0
284.26758	9.6
381.32526	1.1
508.34106	58.5
509.34460	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	559.0396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.9
62.60981	0.3
69.73015	1.1
69.73445	1.2
71.01249	0.6
71.19083	0.3
75.00739	0.5
79.95614	2.0
85.02814	0.9
87.00735	0.3
96.95895	100.0
97.95818	0.3
101.53181	0.3
113.02344	0.8
125.02382	0.3
151.00302	0.6
154.99727	0.4
178.99850	0.5
189.54140	0.3
227.03568	0.3
229.05080	0.5
257.04575	0.4
266.12256	0.3
285.04080	4.0
286.04257	0.5
411.18784	0.3
461.07358	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58349	3.0
54.86381	2.5
57.03324	8.4
59.01253	95.4
61.98680	3.2
67.12441	2.4
71.01252	21.1
71.59010	2.9
72.99186	8.0
73.02831	6.1
75.00752	6.5
75.15672	3.2
78.95786	11.1
83.01276	4.1
84.17027	2.7
85.02824	16.2
87.00746	4.8
88.98633	4.0
89.02350	12.7
93.03349	2.6
95.01324	2.8
99.00779	4.2
99.04360	2.5
101.02338	13.8
107.04910	2.6
109.02851	3.1
113.02360	12.0
119.03374	3.1
119.04978	3.3
121.02804	3.1
123.00748	3.1
125.02361	33.5
126.77417	2.4
127.67085	2.5
128.39899	2.7
134.03557	3.1
135.04413	10.1
137.02402	3.6
139.00285	2.8
145.01077	3.2
145.02885	5.3
146.04901	2.7
149.04492	4.2
152.99466	15.1
161.02335	5.6
161.04477	4.3
163.03949	3.7
165.01826	3.4
165.04091	3.8
165.05457	5.0
167.03372	5.9
169.01324	11.4
170.33888	2.7
171.10139	6.0
174.01665	2.6
175.03943	3.2
177.01900	4.5
195.06738	2.9
201.14894	2.6
211.13390	9.2
219.06572	3.5
229.14461	4.4
289.07025	3.5
329.23300	9.9
335.18378	6.4
335.22302	100.0
335.26337	6.5
336.22650	14.0
365.42618	3.2
398.26236	2.9
513.97974	3.0
519.31647	4.9
521.33344	20.2
522.33411	3.6
557.31036	66.1
558.30243	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	557.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84519	0.3
59.01252	3.8
59.74190	0.3
60.01587	0.7
60.20577	0.3
61.01688	0.7
61.76221	0.3
61.98703	100.0
65.34334	0.4
66.52872	0.3
71.58350	0.4
78.67081	0.4
78.95775	4.4
80.96201	1.3
82.09680	0.3
82.59086	0.3
112.85218	0.3
113.19943	0.3
124.33723	0.3
126.45719	0.3
128.30389	0.3
132.08060	0.3
140.25383	0.3
152.99503	0.9
168.04233	0.4
224.06825	0.6
225.07240	0.7
226.07317	0.5
255.23271	7.1
256.23615	10.8
257.23923	7.5
258.24216	3.3
272.23709	0.4
281.24973	0.4
480.31201	1.6
481.31100	2.1
482.31531	4.2
483.31787	10.2
484.31778	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50543	0.4
59.01253	0.6
62.96280	0.6
63.44306	0.4
70.48523	0.3
78.54070	0.4
78.95777	32.8
79.38790	0.4
96.96830	0.6
122.00017	0.7
134.98523	0.5
140.01085	7.1
152.99474	3.3
162.96375	0.5
166.02652	0.5
180.62541	0.3
196.03728	15.3
214.04846	1.8
241.21545	0.5
242.22049	0.5
278.02899	0.5
279.23291	100.0
280.23621	8.0
382.02704	0.4
460.15146	0.4
476.27811	60.7
477.28030	5.8
558.27063	2.9
559.27002	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.6
55.85118	1.1
56.54175	1.0
57.03317	4.9
59.00991	1.7
59.01259	25.0
61.98706	2.3
66.66113	1.1
67.01768	1.2
69.03326	1.9
71.01257	32.5
71.08375	1.0
72.99183	9.0
73.02813	3.4
75.00753	28.8
78.95789	5.7
80.02546	1.3
81.03333	2.0
83.01282	3.5
83.04906	2.5
84.31982	1.1
85.02826	33.8
86.03152	1.4
87.00745	11.0
89.02332	8.0
95.01279	8.6
97.06486	2.8
98.13408	1.2
98.20673	1.8
99.00764	16.6
101.02334	3.3
103.00264	4.0
111.00719	1.4
113.02332	48.3
115.00254	3.0
117.01804	3.5
123.04421	2.8
125.02332	2.1
125.09611	4.6
129.01854	3.0
137.09636	2.1
152.99510	2.3
157.01340	4.5
161.09650	1.7
163.11200	4.7
165.12761	1.3
175.02417	6.1
179.10786	5.5
185.11801	3.7
191.14331	3.7
197.11795	17.2
205.07085	3.7
207.10219	2.5
209.11775	25.3
211.13354	1.4
225.11174	1.7
227.12784	2.8
233.15495	1.7
241.10724	1.8
245.19060	4.9
249.06207	7.5
267.07248	12.4
289.18051	13.7
290.18387	1.2
293.21198	1.6
297.13434	1.1
307.19229	9.0
315.14493	1.5
386.04282	1.5
386.80191	1.3
525.26929	17.2
526.27423	1.8
539.24872	4.1
557.26038	100.0
558.26453	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	557.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	33.3
60.01611	0.3
60.99644	0.3
69.53323	2.2
71.01250	1.3
86.50624	0.3
89.02309	0.5
101.02329	0.8
110.97881	0.4
113.02332	0.6
118.05023	0.5
119.03387	0.6
123.04388	0.5
125.02372	0.6
126.41622	0.3
161.04390	0.3
167.03441	0.8
178.10870	0.2
335.22269	100.0
336.22614	12.3
336.26654	0.6
346.24408	0.3
351.08484	0.4
427.65408	0.3
497.27588	1.6
557.29907	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.4
57.03329	4.3
58.00459	1.0
59.01255	13.7
61.98700	1.0
67.01752	0.6
68.34534	0.4
68.99689	0.8
69.03312	0.9
70.34776	1.2
70.35148	0.8
71.01257	23.2
72.99185	4.2
73.02831	3.4
75.00749	24.9
76.01070	0.5
83.01260	2.9
85.02829	28.5
86.03171	0.5
87.00755	7.5
89.02323	5.0
95.01264	3.8
97.02842	1.1
99.00764	8.4
101.02336	5.5
103.00267	0.9
103.15318	0.4
108.02057	0.5
108.25050	0.5
109.02842	0.9
111.00758	1.9
112.01563	0.8
113.02339	25.8
114.02672	0.9
115.00253	1.9
117.01842	1.1
119.03370	1.1
122.56521	0.4
123.00763	0.8
123.08051	0.7
125.02365	2.6
129.01837	1.1
131.03450	0.7
135.00734	0.4
137.02261	0.5
139.86906	0.6
152.01038	0.6
153.01836	0.4
157.01332	1.3
161.79213	0.4
169.01311	2.0
173.04474	0.5
175.02432	2.5
182.93826	0.4
193.98521	0.5
194.99333	0.7
203.98108	0.4
243.06612	2.1
243.79723	0.4
313.05661	1.5
360.01465	0.5
381.22992	0.5
449.07108	1.7
557.26031	100.0
558.26373	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	557.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.6
57.03314	3.7
58.87542	1.0
59.01250	21.6
61.98692	4.8
62.18839	1.1
69.03304	1.2
71.01254	22.4
71.59597	1.9
72.99179	3.2
73.02806	4.3
75.00747	25.6
78.95771	6.5
83.01247	3.6
85.02825	28.4
86.03178	1.5
87.00748	7.1
89.02334	5.7
91.66988	1.1
95.01268	3.2
96.95872	1.3
99.00757	9.2
101.02327	6.2
111.00745	3.1
112.01476	1.2
113.02339	26.4
115.00244	3.0
117.01780	2.5
125.02333	3.8
129.01788	1.5
138.89757	0.9
152.99500	3.1
161.04465	2.1
169.01350	1.4
171.10190	1.5
175.02373	3.6
233.15376	1.5
253.97649	1.2
270.06705	1.2
289.07455	1.2
335.06238	2.0
466.92926	1.2
557.25940	100.0
558.26294	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	557.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00174	0.6
55.01744	1.6
57.03331	5.2
58.00453	0.8
59.01255	17.4
61.98687	1.4
68.99698	0.8
69.03320	1.1
69.45412	4.1
71.01257	26.4
72.99185	4.7
73.02818	4.0
75.00751	30.6
78.92033	0.4
83.01270	2.8
84.02040	0.7
85.02828	31.2
86.03180	0.6
87.00760	7.3
89.02306	3.1
93.03391	0.4
93.04192	0.4
95.01252	3.4
97.02832	0.8
98.20478	1.1
99.00767	8.2
99.09398	0.4
101.02331	5.3
103.00243	0.6
109.02829	1.1
111.00743	0.8
111.04414	0.8
112.01566	1.2
113.02333	25.4
113.92848	0.4
114.02673	1.0
115.00245	1.8
117.01815	1.5
125.02357	2.6
129.01839	1.0
131.30786	0.4
137.02348	1.3
144.53374	0.4
151.03923	0.5
157.01318	0.8
159.02881	0.5
161.04436	0.9
168.00499	0.6
169.01381	0.7
173.04533	1.2
175.02408	2.2
195.54564	0.5
219.17487	0.8
249.06123	0.9
281.01370	0.4
289.18057	1.3
453.32104	1.1
458.86209	0.5
539.24658	0.7
557.26031	100.0
558.26300	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	557.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	3.1
66.51705	0.7
71.01255	1.6
71.46960	1.1
71.47289	1.0
75.00724	1.0
81.19574	0.6
85.02812	1.5
87.00742	0.8
89.02312	0.7
93.03346	4.1
101.02298	0.8
108.02029	0.7
109.02890	3.3
121.02852	12.5
122.03631	18.0
123.04415	2.0
124.01552	1.0
125.02368	3.3
133.02846	5.3
134.03706	3.4
135.04410	1.9
135.72685	0.7
136.01521	1.8
137.02357	3.2
145.02863	5.3
146.03621	2.5
147.04416	4.9
147.68079	0.7
149.02354	21.2
149.05966	4.6
150.03137	86.0
151.03554	3.7
154.02649	1.1
161.02368	1.8
161.05937	3.0
162.03114	1.4
164.04713	4.8
165.05490	100.0
166.05824	4.8
169.01344	2.0
175.07657	0.8
177.05518	2.9
179.07063	4.4
180.04224	5.4
181.04906	1.6
195.06566	54.7
196.06938	3.2
260.38742	0.7
315.12189	1.1
329.13882	0.9
346.14203	2.2
347.14935	3.6
361.16562	34.9
362.16879	4.0
415.17618	4.0
464.17914	1.0
479.20013	1.2
500.33664	0.8
509.21817	31.4
510.22263	3.6
521.21887	3.5
539.22925	3.6
557.19232	0.9
557.23822	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.7
59.01255	2.7
62.88568	0.6
71.01244	0.9
71.15569	1.2
71.92194	0.6
74.55539	0.6
78.95776	100.0
83.04895	2.7
83.34397	0.5
96.96836	8.8
97.06460	1.2
109.06556	0.7
111.08019	1.4
125.02312	0.9
125.09633	4.7
134.98398	1.9
152.99495	51.7
153.99794	0.8
166.48570	0.6
171.10191	8.7
189.16457	0.8
205.15851	0.9
207.13904	0.7
209.11713	1.3
211.13391	2.3
215.14319	1.1
231.13826	1.2
233.15428	15.9
233.24585	0.6
234.15686	1.6
249.14911	3.2
251.16481	1.0
257.17572	1.4
269.04758	0.7
319.28918	0.8
323.23892	0.6
331.26553	0.9
341.24802	1.7
359.25970	0.8
375.25665	0.8
377.27173	1.0
385.23795	2.2
393.26215	0.9
403.24905	13.1
404.25092	1.9
421.25970	21.7
422.26334	3.3
539.23969	1.7
557.25153	76.2
558.25500	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	557.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85944	1.0
59.01248	5.4
69.67241	8.4
71.01244	1.1
79.93050	1.0
81.82039	1.0
83.01265	4.6
90.65205	1.1
93.03324	7.3
96.95869	2.4
99.31027	1.0
101.70386	1.1
108.02051	2.8
109.02825	5.3
112.65324	1.1
119.04986	1.4
121.02843	23.8
121.51096	1.1
122.03636	20.1
123.04385	5.0
124.01542	2.1
125.02322	4.0
129.03380	1.5
132.02052	3.5
133.02863	14.6
134.03645	11.8
135.04413	3.9
136.01593	1.5
136.05171	1.6
137.02338	4.1
138.80885	1.1
141.46785	1.1
145.02826	8.6
146.03587	3.8
147.04401	15.7
148.05156	1.5
149.02344	33.9
149.05981	14.3
150.03136	77.6
151.03563	3.5
154.02586	2.6
161.02344	1.7
161.06003	6.2
162.03125	3.7
164.04709	9.6
165.05484	86.7
166.05833	4.0
169.01318	1.8
177.05519	4.0
178.06224	2.2
179.07045	12.2
180.04129	3.0
195.06564	25.9
196.06931	1.9
209.08112	1.4
223.09647	1.3
283.09375	1.5
297.11331	1.4
313.10916	1.4
315.12402	1.8
329.13821	4.9
346.14056	5.4
347.14871	7.9
347.65405	1.2
349.58005	1.1
357.13382	18.1
358.13742	3.4
359.14365	2.4
360.15164	1.3
361.16559	53.1
362.16718	6.8
415.17691	8.4
416.18384	1.5
509.21799	100.0
510.22144	15.9
521.21887	8.3
539.22937	6.0
557.24011	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	556.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21750	0.6
52.64183	0.5
59.03954	0.5
63.53005	0.6
68.16990	0.5
71.01263	0.6
71.58332	1.0
74.99025	0.6
78.95782	22.8
78.98448	0.6
79.95605	0.8
80.96394	5.1
93.12445	0.5
94.97971	0.9
96.96869	0.5
132.17696	0.6
144.52225	0.5
148.56815	0.5
152.99481	3.1
164.98476	0.7
165.27888	0.6
168.04202	3.3
214.80463	0.6
224.06880	8.3
225.00488	0.6
242.07957	2.0
281.24860	100.0
282.25226	10.6
506.32510	60.8
507.32864	9.8
556.28778	7.6
557.28326	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1294
Annotation	3,3',4,5'-Tetrahydroxystilbene 3'-O-beta-D-(6''-O-galloylglucopyranoside)
Peak:m/z	Relative Intensity
57.03315	2.0
57.56279	1.4
59.00986	2.0
59.01254	26.3
61.98701	2.0
67.01764	1.6
69.03326	8.3
71.01250	8.5
73.02819	1.8
75.00733	2.5
77.96991	1.2
78.95741	1.2
79.01745	2.3
83.01288	1.5
85.02828	5.4
87.00754	1.5
89.02314	4.2
95.01271	4.4
96.95887	16.3
97.02851	6.2
98.19779	3.0
99.00734	1.6
101.02325	4.6
107.01258	14.5
108.02069	13.1
109.02885	6.3
111.00754	6.2
113.02333	4.4
121.02842	2.8
123.00780	22.6
123.04395	1.4
124.01583	3.7
125.02339	59.6
127.00203	1.1
135.00746	6.7
135.04457	2.4
136.98708	3.6
137.02344	2.7
139.00284	7.1
140.01082	9.1
141.01729	1.9
145.02788	1.1
148.78984	1.2
149.02409	1.4
149.04463	2.8
149.99544	1.7
151.00270	11.5
151.03902	2.3
152.01079	20.6
153.01822	6.7
159.04436	1.2
161.02519	1.3
163.03923	2.0
165.01880	2.6
166.99817	3.3
168.00571	23.0
169.01344	70.9
170.01654	4.0
177.01842	2.6
179.03271	1.5
181.01378	3.1
187.03841	1.8
193.98506	39.6
194.99265	9.9
199.04001	1.4
211.02432	4.1
215.03476	2.7
243.02919	1.5
287.02084	2.2
296.05338	3.0
297.06076	6.5
313.05707	19.1
315.07336	2.4
331.06943	2.1
422.08575	11.4
449.07288	46.1
450.07587	4.7
463.09094	1.5
466.07513	38.8
467.07959	4.6
513.13708	2.2
513.20276	2.8
532.11450	1.4
557.13043	100.0
557.22351	4.0
558.13428	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	555.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.9
57.03334	4.7
58.00474	1.7
59.01254	100.0
60.01595	1.5
61.20811	0.6
61.98696	0.6
69.53212	1.6
69.53638	3.4
71.01257	29.4
72.99192	2.6
73.02827	1.3
75.00757	2.1
83.01284	2.0
85.02824	4.6
87.00771	2.1
88.98684	1.4
89.02322	42.8
95.01284	1.9
95.04930	0.6
96.96008	0.7
101.02332	14.6
105.03326	1.4
113.02335	12.9
119.03401	15.9
119.04897	0.7
125.02345	26.9
126.02724	1.0
131.03386	1.2
135.04424	0.9
137.02373	2.2
143.03403	3.0
149.04483	1.7
161.02374	10.9
161.04509	2.6
162.02753	0.8
165.01942	1.0
165.03972	4.0
165.05220	0.7
167.03523	0.7
169.01344	1.3
177.05539	0.9
179.03812	0.8
179.05527	12.3
179.07140	0.7
179.97511	0.6
180.05978	0.8
201.05658	0.7
223.13429	2.4
267.12442	2.2
269.04596	2.2
287.05615	1.9
305.06754	2.0
445.65335	0.8
470.09869	0.7
519.32043	1.6
555.29327	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2844
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
58.23297	0.5
59.01256	0.6
63.96105	1.4
64.18217	0.5
68.05827	0.5
69.03304	0.9
70.90626	0.9
71.01254	9.4
73.02826	2.1
78.98463	6.2
79.95609	10.9
80.96394	75.9
81.03317	0.9
85.02814	3.6
87.00751	3.4
87.63094	0.4
94.97962	18.9
96.95914	1.1
97.02847	2.0
99.00785	0.6
101.02312	3.2
105.85051	0.5
106.97951	4.4
122.97470	4.1
125.02319	3.8
127.03850	0.7
134.97461	5.1
136.99033	2.1
148.99045	6.0
152.98564	7.2
164.98540	12.7
183.26193	0.6
188.98596	0.7
206.99641	2.0
209.99583	0.4
222.56726	0.5
225.00708	16.2
226.01114	1.0
255.23386	2.3
299.04440	3.9
555.28436	100.0
556.28741	13.8
566.31653	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04324	1.1
55.01765	1.3
57.03311	1.8
59.01255	17.8
61.95617	1.0
61.98713	1.1
63.47190	0.9
68.06386	0.8
69.35435	8.7
71.01248	8.3
72.99207	1.1
75.00749	12.4
75.90086	0.9
78.43840	0.9
78.95766	1.3
81.03333	1.1
83.01274	1.1
85.02829	4.1
87.00751	1.4
89.02328	3.3
93.03345	4.2
95.01293	1.2
95.04935	1.1
96.95887	12.8
97.02868	0.9
98.19823	1.6
99.00806	1.0
101.02337	4.3
103.00276	1.1
109.02852	2.4
111.00832	1.4
113.02358	2.7
119.03397	1.2
119.04934	2.5
121.02863	8.3
122.03655	13.4
123.00816	1.8
123.04396	3.1
123.66666	1.1
125.02342	13.8
129.01840	3.3
133.02869	3.6
135.04436	2.2
136.01607	1.3
137.02390	3.6
147.02861	1.5
147.04445	4.3
149.02345	24.2
149.06038	1.1
150.03142	95.6
151.03574	3.2
154.25357	0.9
158.03688	1.9
159.04468	5.2
160.05232	8.2
161.02353	2.7
161.04645	1.0
161.05887	5.0
163.03964	5.8
164.04706	6.2
165.01799	2.5
165.03981	29.6
165.05496	100.0
166.05847	3.5
169.01312	6.8
173.05992	2.1
175.07556	8.6
175.72908	0.9
177.01808	1.1
177.05560	5.5
178.06268	1.8
178.99904	1.4
180.04265	6.0
183.53238	1.0
190.29727	0.9
195.06572	64.8
196.06906	4.2
197.49127	1.0
231.13861	2.1
259.13364	2.9
266.55481	0.9
271.06131	1.0
281.08234	1.2
285.04239	1.0
285.07660	1.1
289.07193	1.6
315.12424	1.7
329.13956	27.5
330.14203	2.9
333.20721	11.1
363.14227	1.3
447.18021	1.6
477.19174	22.7
478.19495	2.5
507.20267	15.0
508.20242	1.7
525.21301	4.4
555.22119	4.8
555.29187	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	13.5
57.60500	0.7
58.00477	0.6
58.96725	0.5
59.01252	44.5
59.39697	0.5
61.46086	0.5
61.98673	0.8
70.15960	2.8
71.01254	10.5
72.99186	0.8
73.02843	0.7
73.49175	0.6
75.00754	1.7
81.03329	1.9
83.01282	3.5
85.02836	2.8
87.00772	1.6
88.98663	1.2
89.02317	15.0
89.02884	0.8
95.01247	1.2
95.04886	2.0
101.02329	5.5
105.03357	3.8
107.01299	0.7
107.04913	1.5
109.02848	2.3
113.02327	4.3
119.03391	6.6
121.02843	1.1
123.00766	1.4
123.04439	0.7
124.01585	1.1
125.02338	100.0
126.02666	3.0
131.03444	0.7
134.03624	0.7
135.04407	5.5
137.02348	7.0
139.03909	2.0
143.03369	1.1
147.04503	0.8
149.02357	2.3
161.02353	42.5
161.04509	2.0
162.02823	1.5
165.01831	2.1
165.03986	3.5
165.05435	1.7
167.03369	3.4
169.01321	3.7
175.03836	1.3
177.01869	0.9
177.05524	3.2
179.03503	1.8
179.05533	5.7
183.04596	0.6
199.03967	1.0
200.21645	0.5
201.01924	0.7
201.05534	2.0
203.03574	1.1
211.13332	0.7
219.06593	2.0
221.04591	1.2
223.13322	13.8
224.13821	1.4
225.05560	1.2
226.38750	0.6
227.03456	1.5
229.01353	1.1
229.53188	0.6
241.08742	1.4
243.06635	1.2
259.13510	0.7
267.12372	13.9
269.04544	10.7
287.05612	9.0
305.06644	9.6
313.05728	1.0
345.13492	0.6
359.15109	1.2
417.15594	1.6
418.56305	0.7
507.20480	2.1
519.31702	3.1
554.26996	1.0
555.14349	3.3
555.29028	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	555.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	1.4
58.11942	0.9
59.01253	63.6
60.01587	1.0
71.01241	4.6
71.04861	1.1
72.25059	0.9
73.02854	1.2
75.00764	1.1
77.14498	1.1
85.02824	2.0
89.02308	4.0
101.02312	4.4
107.01258	1.9
113.02307	2.2
114.71117	1.1
119.03383	1.2
123.00784	5.5
125.02352	9.2
133.06541	1.3
135.08018	8.1
139.00262	1.4
139.07509	1.1
139.83026	1.2
140.30862	0.9
147.08063	3.5
151.00273	4.3
168.00520	2.0
169.01353	10.3
173.09624	2.7
191.10693	3.5
211.02509	1.3
219.10245	2.2
231.13901	11.8
243.13858	4.0
251.46408	1.1
255.02887	1.1
269.04587	1.9
271.04651	1.4
275.12897	1.8
287.16544	1.7
305.17401	2.2
312.06296	1.0
319.11905	15.1
327.08749	4.3
331.15448	6.4
332.15961	1.4
342.11075	3.6
343.11835	2.6
349.16620	3.4
373.66345	1.1
375.14575	7.2
403.13028	2.3
417.15601	17.1
418.15488	1.2
465.17096	1.4
555.20819	100.0
556.21179	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	555.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	5.1
65.80950	0.8
69.66946	5.3
71.01236	2.5
72.99171	0.9
73.02827	1.4
75.00750	3.4
85.02834	1.8
87.00750	2.2
89.02313	1.9
92.60511	0.9
93.03323	4.2
93.71001	0.9
97.29148	1.0
101.02325	2.0
103.11166	1.0
105.01808	1.3
108.02074	2.5
109.02833	11.2
116.08139	0.9
119.03374	1.1
121.02832	5.6
122.03634	9.8
123.04423	6.4
124.01562	1.4
125.02317	2.6
129.01820	1.6
133.02873	6.6
134.03609	1.4
135.04382	4.0
136.01566	1.7
137.02345	2.8
147.04396	2.5
149.02357	23.8
149.05974	1.3
150.03142	86.6
151.03932	14.9
159.04375	4.5
162.03079	1.3
162.06552	1.1
163.03979	1.2
164.04706	6.7
165.03961	9.7
165.05464	72.8
166.05840	2.1
169.01340	1.1
173.05978	3.2
174.06453	0.9
177.01933	1.2
180.04190	4.8
181.05005	11.1
189.05492	3.8
195.04787	2.1
195.06570	39.8
196.06961	1.5
203.06961	1.4
230.09468	1.9
240.04141	1.8
241.05013	7.9
255.06631	3.7
259.13394	4.3
267.06674	3.0
268.07434	1.3
269.07965	1.1
274.54300	1.0
281.08109	1.5
288.05743	1.0
295.09589	1.1
297.07556	4.5
298.08276	1.3
299.09244	4.5
311.09033	1.2
313.10791	5.8
327.12601	1.1
329.10345	1.6
343.11768	1.9
344.12674	13.2
345.13284	3.2
358.14053	1.5
359.15005	31.6
360.15286	3.3
393.28976	1.1
443.15140	2.5
447.14410	3.3
461.16010	7.4
477.15521	1.9
492.17847	1.5
507.20251	100.0
508.20621	14.1
545.39642	0.9
555.22333	6.8
555.34650	1.9
556.23419	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23943	0.4
57.03318	0.9
59.01256	4.6
71.01247	2.3
71.58926	0.7
71.59297	0.7
72.99161	0.6
73.02823	0.6
75.00752	1.3
85.02831	1.3
87.00764	0.7
88.13984	0.5
89.02327	2.5
93.03335	4.3
95.04923	0.6
96.95893	4.9
101.02345	1.3
105.03328	0.5
108.02042	1.1
109.02859	1.5
113.02325	1.8
121.02837	7.5
122.03632	12.4
123.00829	0.7
123.04462	1.3
124.01612	0.8
125.02341	3.6
133.02829	2.4
134.03664	0.8
135.04434	2.4
136.01581	1.2
137.02328	1.9
147.04413	1.3
149.02359	22.1
150.03133	85.9
151.03691	2.3
158.03651	0.7
159.04419	1.4
160.05234	5.8
161.02338	0.9
161.06007	2.6
162.03110	0.9
163.03938	3.5
164.04692	5.1
165.05490	100.0
166.05875	5.1
169.01294	2.6
175.07564	4.8
177.01936	0.8
177.05508	1.5
178.06271	1.5
179.05544	1.0
180.04211	7.1
188.49297	0.5
195.06564	66.4
196.06931	3.8
207.06645	0.5
225.07370	0.6
273.79941	0.7
305.96252	0.6
313.10736	1.2
315.12399	2.4
323.12891	0.9
325.10864	0.7
326.11438	0.6
329.13947	23.4
330.14215	1.3
341.13806	0.8
345.13358	1.1
393.17880	0.5
400.84970	0.6
477.19296	2.4
507.20273	13.7
508.20749	2.0
511.22748	0.6
525.20911	0.7
526.20404	0.6
555.22815	1.1
555.30005	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	5.3
58.47318	0.3
59.01253	9.5
64.04537	0.3
65.86298	0.3
69.71036	2.5
71.01254	2.0
72.99182	1.4
73.02804	0.6
75.00748	44.1
75.50426	0.3
76.01083	0.4
85.02828	1.8
87.00780	0.4
89.02311	1.5
99.00750	0.6
101.02299	0.7
103.00265	2.6
109.02875	0.3
113.02313	0.7
117.01819	0.8
125.02328	1.4
129.01837	11.8
130.02136	0.8
135.04475	0.6
137.02347	0.5
140.26587	0.3
147.02892	3.5
147.03992	0.4
147.04399	0.3
159.04472	0.5
161.06010	0.9
165.03963	100.0
166.04321	2.6
169.01318	1.1
171.04413	0.7
175.07553	1.2
177.01941	0.4
187.07628	0.5
188.04701	0.6
189.05453	2.6
207.05058	3.3
217.08760	0.5
218.09383	0.5
230.09471	4.2
233.02995	1.0
251.04065	0.4
259.13373	16.4
260.13712	1.4
261.11246	0.8
303.12390	1.9
321.13556	0.6
355.68103	0.4
363.14493	0.9
365.80325	0.4
478.47351	0.3
548.10913	0.4
555.16937	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28902	0.4
50.71878	0.4
57.03339	0.9
59.00982	0.3
59.01246	5.6
68.99668	0.3
69.03336	0.4
69.10270	0.3
69.82160	0.3
71.01244	3.1
72.99213	0.4
80.81736	0.3
81.85310	0.3
83.01272	0.9
85.02849	0.8
89.02329	3.3
95.01295	0.7
99.04418	0.3
101.02335	1.9
107.01276	4.1
107.01949	0.4
111.00771	1.9
113.02348	1.4
119.03385	1.1
123.00781	2.7
124.01541	2.3
125.02341	29.7
126.02707	0.9
127.00291	1.2
136.98730	1.4
137.02376	1.3
139.00290	2.3
139.03931	1.1
140.01065	3.8
141.01851	0.4
149.02365	0.5
150.03140	0.7
151.00299	1.3
161.02362	1.4
165.01854	1.2
167.03426	2.0
168.00571	16.7
169.01343	35.1
170.01698	1.3
172.29413	0.3
179.05547	0.9
179.10703	2.7
183.02919	0.3
195.06609	0.4
211.02423	60.3
212.02744	2.0
223.09691	2.7
229.89487	0.3
241.03462	1.1
271.04578	100.0
272.04932	5.7
298.87381	0.3
331.06705	18.5
332.06943	1.2
383.73480	0.4
389.12756	0.4
403.15833	1.3
511.18237	2.3
537.15125	0.4
555.16937	17.0
556.16998	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	555.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.6
57.03322	1.3
59.01254	32.6
61.98694	1.0
65.00196	0.5
67.01759	1.0
68.76547	0.4
68.99705	0.5
69.03332	1.1
70.82433	0.4
71.01257	7.8
71.24022	1.0
72.99189	1.1
73.02812	1.3
75.00740	2.5
79.01778	1.2
81.03320	0.6
83.01274	1.2
83.38078	0.4
85.02823	3.1
87.00764	1.1
89.02324	7.0
95.01272	2.4
97.02856	1.6
101.02336	4.7
107.01271	10.3
109.02839	0.9
111.00758	1.7
113.02332	3.3
119.03416	2.1
119.04957	0.5
121.02844	0.7
123.00779	14.3
124.01551	1.8
125.02345	56.0
126.02691	1.6
127.00254	0.9
131.03448	0.7
133.02951	0.5
136.98697	1.4
137.02354	1.6
139.00291	3.5
139.03957	1.0
140.01039	2.5
141.01834	2.1
143.03429	0.6
149.02295	0.6
150.99118	0.8
151.00287	8.9
151.03893	0.5
153.01849	0.9
161.02388	3.0
161.04482	1.0
161.05942	0.6
165.01793	0.5
165.03993	5.0
165.05267	0.7
167.03418	0.8
168.00562	3.3
169.01352	59.8
170.01697	1.8
177.05518	0.5
179.03401	0.7
179.05548	3.7
181.06569	1.0
183.02969	2.6
186.37114	0.4
193.01311	0.7
197.06012	1.4
198.06790	1.6
201.01913	0.5
211.02435	1.0
213.05521	0.6
223.02528	0.5
223.13367	3.0
225.05537	19.9
226.06233	6.1
227.07005	1.8
240.07932	1.1
241.08676	42.9
242.09077	2.4
253.03603	0.7
256.07419	1.0
267.12399	2.8
269.04547	0.8
271.09784	4.3
285.04135	0.5
285.20163	0.4
287.05524	0.6
300.81348	0.5
313.05667	17.8
314.05972	1.4
327.07352	1.0
478.72296	0.5
525.21631	0.7
555.15057	100.0
556.15393	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	555.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98131	0.3
52.67365	0.4
54.84606	0.3
55.01769	0.3
57.03323	0.6
59.01252	4.7
61.98723	0.5
65.00219	0.4
67.01770	0.9
69.03323	1.1
71.01257	4.7
72.99192	0.6
73.02818	1.3
75.00748	3.0
79.01770	1.2
81.03325	0.7
83.01266	1.1
85.02827	2.7
86.31731	0.3
87.00763	1.2
88.98678	0.6
89.02341	1.1
93.21210	0.4
95.01272	2.0
97.02842	1.0
98.20195	2.5
99.00789	0.4
101.02339	3.0
105.01811	0.3
106.04211	0.4
107.01278	10.4
107.04902	1.2
109.02794	0.6
111.00776	2.4
113.02331	1.9
117.07217	0.3
119.04876	0.3
120.08153	0.4
121.02839	0.5
122.05978	0.6
123.00774	16.0
123.01672	0.8
123.04436	0.7
124.01528	1.1
125.02341	56.7
126.02689	2.0
127.00261	1.0
128.76683	0.3
129.01823	0.9
134.03661	0.7
135.04428	4.1
136.98729	1.5
137.02359	1.2
139.00258	4.3
139.03957	1.0
140.01077	3.2
141.01845	2.5
149.02335	0.7
150.03125	0.5
151.00275	9.5
151.03925	0.6
153.01799	1.3
154.99763	0.5
161.02359	0.8
161.04550	0.5
165.01840	0.9
165.03961	4.1
165.05458	1.6
167.03387	0.6
168.00546	3.6
169.01347	64.3
170.01642	2.2
179.03456	0.6
183.02951	2.4
195.03001	0.4
197.06036	1.1
198.06825	3.0
211.02432	1.0
223.02473	0.7
225.05548	8.3
226.06296	8.1
227.06941	2.0
241.03543	1.1
241.08678	29.6
242.09006	2.3
259.13361	0.4
267.06775	0.4
313.05661	18.1
314.05917	0.9
327.07150	1.2
359.14917	0.4
370.93347	0.3
403.14145	0.6
477.19724	0.5
507.19879	1.4
519.31799	1.0
554.28540	0.4
555.15057	100.0
556.15405	15.8
556.24054	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44748	0.2
59.01252	21.4
63.93758	0.2
71.07487	0.5
78.95779	18.5
96.96854	0.3
122.98396	0.4
134.98425	0.2
152.99509	2.7
168.04242	2.6
209.56035	0.2
215.57385	0.2
224.06882	8.2
225.07294	0.2
225.16904	0.2
231.47826	0.2
237.22194	0.2
242.07999	1.7
255.23271	100.0
256.23639	8.2
256.26389	0.4
480.30957	51.9
481.31339	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	555.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	3.0
59.01253	8.7
63.02270	10.1
64.02622	0.2
65.00193	5.2
65.00518	0.3
66.92928	0.2
69.34500	0.4
69.34921	1.5
71.01225	0.2
78.95786	0.3
83.01254	6.6
83.81703	0.2
85.02818	0.3
95.01222	0.2
96.95908	0.2
98.20539	0.2
107.01273	14.7
107.04900	0.2
108.01612	0.3
108.99119	0.2
109.02832	0.3
113.02328	0.3
120.08085	1.2
121.02914	0.4
122.03654	0.3
122.06013	1.0
124.01614	0.2
125.02342	11.7
126.02653	0.6
135.04410	0.6
137.02367	0.4
149.02386	1.0
150.03127	2.6
151.00276	35.7
152.00600	1.4
153.01772	0.3
163.00310	0.5
164.00980	0.2
164.04584	0.3
165.01822	0.4
165.05499	2.3
169.01344	12.8
170.01663	0.5
175.03871	0.3
177.01828	1.8
178.99783	100.0
180.00125	4.6
180.01654	0.4
180.04314	0.3
188.04716	0.4
189.01733	0.2
195.06572	1.3
196.06828	0.2
197.02386	0.2
198.06580	0.2
200.04662	0.3
201.05473	0.5
202.06282	5.5
203.03398	0.2
203.06621	0.3
204.04219	1.3
215.03432	1.3
216.04181	0.5
225.05495	0.3
225.09117	1.0
226.06180	0.3
227.03409	0.2
227.07031	0.3
228.04218	0.5
229.05042	0.3
230.05714	0.6
233.04385	0.3
234.05281	1.4
240.04216	0.4
241.08720	0.5
243.06558	0.3
243.10231	4.8
244.10603	0.4
245.08157	0.7
251.07086	0.5
251.11870	0.3
253.05064	0.3
253.08606	1.1
255.03033	0.3
255.06805	0.3
256.03757	4.2
257.04233	0.4
265.05261	0.2
265.13330	0.2
267.06430	0.3
267.11273	0.3
269.08133	0.7
271.09756	7.6
272.10110	0.6
278.05847	0.2
279.06625	0.6
284.03137	0.2
287.13846	0.2
288.02765	0.6
295.06171	0.5
296.06848	0.4
297.07651	4.3
298.08005	0.4
310.08508	0.3
311.05545	0.4
313.06021	0.2
314.07736	0.2
315.08719	0.6
319.06085	0.3
320.07028	0.2
325.07184	4.1
326.07651	0.5
329.10410	0.8
336.06509	0.2
341.10400	1.0
346.04742	0.4
348.06357	0.2
350.04172	0.2
363.05222	0.2
364.05951	0.6
369.06042	0.5
374.04190	0.5
387.08707	0.3
388.20175	0.3
389.10303	0.3
401.08939	0.3
405.09769	0.6
407.11465	0.5
415.08264	1.4
416.08719	0.3
423.10742	0.4
429.08295	3.6
430.08734	0.4
432.19199	1.5
433.09290	7.8
434.09573	1.2
451.10263	1.3
452.10614	0.3
459.07471	0.2
467.09872	0.3
477.08328	4.3
477.15186	0.4
478.08490	0.6
493.10968	0.2
495.09326	0.8
507.16434	0.5
511.23087	0.3
519.09143	0.6
525.19763	0.2
535.50909	0.2
537.10364	3.7
538.10706	0.6
555.10626	1.2
555.25610	1.2
556.11536	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02266	0.3
56.17469	0.3
59.01251	0.7
68.06343	0.3
78.95773	6.3
91.91273	0.3
120.74329	0.3
125.09605	0.5
152.99500	1.1
155.15703	0.3
168.04187	1.3
190.01399	0.3
224.06915	0.9
242.07921	3.1
279.23276	100.0
280.23624	7.9
280.26691	0.4
397.02939	0.3
504.30948	26.8
505.31207	3.7
506.23511	0.3
550.86176	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51033	1.2
59.01264	2.5
61.67419	1.2
68.41666	1.1
69.87149	2.5
69.87545	6.1
70.51503	1.2
71.01257	2.4
75.00735	1.4
78.95784	24.9
85.02834	6.8
105.74625	1.2
152.99507	4.1
157.63327	1.1
168.04282	2.7
224.06911	7.3
225.07301	1.2
242.07924	3.5
259.50214	1.2
279.23306	100.0
280.23685	9.3
283.13223	1.4
426.45813	1.4
504.31009	55.1
505.31396	8.4
558.15210	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65397	0.3
59.01252	17.8
61.98697	0.8
66.76180	0.2
71.57890	0.5
78.95772	5.8
78.96214	0.4
87.34485	0.2
98.20464	0.2
127.89008	0.3
152.99481	1.3
168.04253	1.2
224.06862	1.0
242.07988	2.1
255.23270	100.0
256.23615	8.2
279.23297	0.7
472.35126	0.8
480.30933	22.0
481.31274	3.8
552.40997	0.3
554.35303	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2763
Annotation	Beiwudine
Peak:m/z	Relative Intensity
54.11993	0.8
58.02861	0.8
58.28357	0.7
59.01257	7.8
59.41505	0.7
59.65522	0.8
59.98804	0.8
61.98700	2.5
63.01395	0.7
69.76363	0.8
70.89965	2.5
71.01261	14.8
81.03354	0.7
85.02820	1.4
87.00793	0.9
88.03921	81.6
89.02349	0.9
89.04262	1.2
90.70045	0.8
93.03360	0.9
101.02306	1.2
109.02840	1.6
113.02328	1.1
114.01853	2.5
115.00265	17.5
121.06419	1.2
123.34517	0.8
124.01549	0.8
125.02337	2.3
125.05952	1.5
132.02934	22.2
135.04417	1.1
136.05257	1.0
136.47270	0.8
137.02374	1.1
137.09604	1.3
139.07556	1.6
147.08041	2.2
147.11668	1.2
149.05928	1.1
160.08870	1.3
161.09599	1.3
164.17743	0.9
165.09134	2.4
169.01308	0.9
171.08096	1.6
178.09927	0.9
187.11206	3.0
200.12057	1.1
203.10719	1.1
209.11711	1.0
211.11250	1.1
213.12785	2.2
213.16423	2.5
215.10764	1.1
222.11424	1.1
226.13596	3.2
239.14401	2.2
250.07080	0.9
253.15993	1.2
317.19144	0.8
328.19174	8.3
329.19574	0.8
331.20654	1.5
332.21356	3.0
347.23813	4.3
365.24857	2.7
395.25879	1.5
408.25137	0.9
439.25040	5.1
440.25195	0.9
462.26672	1.4
480.27768	4.7
483.23077	0.8
524.26678	5.4
554.27588	100.0
555.13837	1.5
555.27863	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	553.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31341	0.4
53.86016	0.4
55.01747	1.7
56.02800	0.4
57.03330	4.5
58.00443	0.4
59.01254	11.6
61.31424	0.4
65.75739	0.4
67.01757	0.6
68.99683	0.7
69.03322	0.9
69.46603	0.4
71.00433	1.1
71.01256	20.4
72.99187	4.8
73.02824	2.4
75.00747	25.1
83.01250	3.0
84.02068	0.5
85.02825	28.7
86.03136	0.8
87.00751	8.1
87.04392	33.5
88.04739	0.5
89.02328	3.0
95.01263	2.6
97.02830	0.6
99.00752	8.2
101.02338	3.0
103.00229	0.9
113.02334	23.5
115.00244	2.2
117.01805	1.6
119.04898	1.3
123.04374	0.8
125.02345	2.9
129.01814	0.8
131.03392	0.6
135.04373	0.8
137.02316	0.9
149.04372	0.5
157.01328	0.9
163.03867	1.2
165.01830	0.5
165.05437	0.5
168.00533	0.8
169.01274	0.9
175.02400	3.9
271.31018	0.4
289.07074	0.6
323.73264	0.5
465.19553	1.9
530.11853	0.5
553.24988	100.0
554.25366	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	553.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50428	0.7
57.03334	1.3
59.01249	7.1
66.21889	0.7
69.03304	0.8
69.47164	2.7
69.47578	3.8
71.01247	7.8
72.99183	9.8
73.02855	1.2
75.00735	3.8
77.58212	0.7
83.01278	1.2
85.02826	6.7
87.00764	1.7
89.02322	3.4
95.01257	1.1
99.00748	1.5
101.02324	2.6
108.04432	0.8
109.02845	1.0
113.02315	4.0
119.03446	1.0
119.04919	11.7
121.02844	3.5
122.03641	1.0
122.06011	2.2
123.00767	1.3
123.04449	0.9
125.02322	7.0
136.07574	1.4
137.02371	3.1
138.03110	1.5
139.03918	0.8
147.04424	44.1
148.04788	1.7
149.00835	0.7
149.02304	1.1
151.00281	1.0
151.03915	1.7
153.01872	1.0
163.03983	0.9
165.05489	100.0
166.05884	4.9
169.01401	4.3
177.01918	1.0
179.07150	1.3
180.04263	0.9
181.04994	1.6
181.12280	1.4
191.01913	0.7
193.01331	0.8
195.06546	3.2
209.08171	1.1
213.10864	0.8
225.11292	5.2
239.09280	2.5
242.05534	0.8
244.15036	0.7
249.06009	1.0
267.07245	1.3
271.06076	2.6
285.36996	0.8
331.12375	1.0
361.12854	2.9
376.15320	3.1
391.17654	17.8
392.17923	2.7
401.14478	1.5
405.17749	2.0
419.14182	1.1
433.11560	1.7
553.13507	1.0
553.21063	3.8
553.32660	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	2.9
55.42936	1.1
57.03329	5.8
59.01250	35.3
69.41070	5.8
69.41509	4.0
71.01255	27.9
72.99180	5.2
73.02827	4.1
75.00745	33.1
83.01279	4.1
85.02823	33.9
87.00759	9.1
89.02318	4.4
95.01289	3.2
97.02845	1.2
99.00752	11.8
101.02301	7.1
103.00217	2.1
111.00766	2.3
112.01572	1.4
113.02333	36.0
115.00274	3.0
125.02318	4.5
129.01848	1.6
137.02318	1.6
150.03127	1.6
157.01367	1.6
161.04419	1.9
165.05472	2.1
169.01360	2.1
175.02449	5.1
195.06505	1.2
196.32433	1.0
211.16356	1.1
262.16840	1.2
284.27530	1.1
291.18222	3.0
328.55112	1.1
331.19141	1.7
338.57718	1.0
347.60193	1.2
387.43460	1.1
405.21222	4.0
509.22360	100.0
510.22824	14.0
535.49780	1.1
553.32593	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80548	1.1
57.03330	11.9
59.01249	15.6
62.72095	1.1
65.03825	1.3
71.01254	6.9
71.58992	1.4
72.99174	1.5
75.00746	3.1
81.03316	3.2
83.01264	7.0
83.04903	1.7
84.04836	1.1
85.02831	7.0
87.00726	2.9
88.98678	4.3
89.02316	4.4
91.01756	1.0
93.03323	2.4
95.01257	3.9
95.04888	3.3
96.95892	2.1
97.02823	5.5
101.02319	3.4
105.39948	0.9
107.01299	1.5
108.02077	1.5
109.02839	20.2
111.00799	2.3
111.04395	1.2
113.02315	5.2
113.05975	1.2
119.03442	1.6
121.02828	3.7
123.00758	2.9
123.04398	12.2
123.08057	3.4
124.01573	2.5
125.02338	49.5
126.02696	2.2
135.04411	3.2
137.02341	30.3
139.03932	2.1
145.02867	10.9
146.03555	1.8
149.00739	1.4
149.02344	7.8
150.03111	3.4
151.00238	2.8
151.03918	8.6
159.04402	7.4
160.05211	1.5
161.02316	2.7
161.05966	7.7
162.03058	1.2
163.03909	2.4
164.01079	5.1
165.01865	8.1
166.99791	2.1
167.03462	1.4
168.00528	1.4
169.01314	8.7
169.10135	1.0
171.11691	3.5
173.05984	2.0
175.03906	1.6
175.07617	1.9
177.05473	1.5
179.03415	4.3
183.04404	3.2
185.06012	3.0
187.03934	8.3
188.04645	3.4
189.05298	1.8
191.01900	1.1
201.05478	2.0
202.06281	2.3
203.07079	16.4
205.04968	7.4
211.04050	1.4
227.07101	3.0
237.14992	5.9
245.08136	21.7
246.08713	1.6
253.05009	5.5
259.05988	2.1
267.07248	1.5
267.38596	1.2
270.05191	1.5
271.06082	18.4
272.06494	1.3
281.13913	15.1
282.14313	1.2
289.07175	100.0
290.07501	8.7
301.03598	4.1
303.21686	3.0
377.34464	1.1
387.17752	2.5
403.17770	3.1
509.21805	7.5
553.14801	2.5
553.21729	1.8
553.29950	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	5.5
65.44543	0.5
71.01237	1.0
71.50047	0.7
73.02837	0.5
75.00748	0.6
75.50131	0.5
78.95764	0.6
85.02836	0.9
85.06068	0.5
89.02345	0.7
93.03342	4.7
94.70312	0.4
96.95877	4.5
96.96841	0.8
97.02826	0.7
99.00737	0.5
101.02332	0.7
108.02060	1.0
109.02840	0.9
113.02336	0.9
121.02841	6.9
122.03633	16.2
123.04364	0.8
124.01510	1.0
125.02357	1.2
133.02864	1.6
134.03621	1.1
136.01558	2.2
137.02327	0.9
145.02826	0.6
146.03592	0.6
147.04384	0.7
149.02345	25.1
150.03133	97.3
151.03453	4.4
161.04515	0.5
163.03888	0.6
164.04698	4.2
165.05484	100.0
166.05811	4.4
169.01357	1.2
175.03899	1.9
177.05510	1.1
180.04201	6.7
190.06276	0.7
195.06558	58.5
196.06857	2.5
203.07074	0.8
208.53146	0.5
222.05312	0.8
223.07596	0.7
225.09070	0.6
233.05937	0.6
235.07593	0.7
241.71272	0.5
251.07092	1.1
253.08636	0.8
261.05450	0.7
263.07043	1.8
267.10077	0.6
269.08176	1.4
279.06549	1.9
281.08133	2.5
284.21259	0.5
289.07193	0.7
291.06577	0.7
293.08121	1.2
294.09033	1.3
295.09756	0.9
296.10553	0.7
297.07742	5.4
297.10947	0.6
298.08182	1.1
305.69397	0.6
308.10364	0.8
309.07755	11.4
309.11240	1.8
310.08157	1.0
311.09271	0.8
312.10052	5.6
313.10736	0.7
323.09207	1.1
324.10110	5.1
325.10501	0.6
327.12366	19.8
328.12698	2.1
339.12363	17.3
340.12741	1.5
386.57458	0.5
431.14874	0.9
441.09363	0.5
457.16214	0.9
475.18036	3.0
476.17999	0.7
487.17407	0.7
493.18744	0.7
505.18781	6.8
506.18964	1.1
509.22336	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	2.5
61.98698	1.9
71.58657	1.5
78.95792	7.0
95.16177	0.8
99.76435	0.8
103.31187	0.8
106.69319	0.8
128.46025	1.0
152.99515	1.4
168.04242	1.1
194.26180	0.9
224.06982	0.9
242.07993	2.9
277.21716	100.0
278.22018	9.1
502.29367	28.2
503.29663	3.3
513.56525	0.9
567.31030	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61676	1.6
59.01256	3.5
61.98694	5.9
66.46394	1.4
70.78683	1.6
71.57988	2.5
78.95784	29.3
91.14468	1.4
92.63684	1.8
117.24790	1.6
125.09668	1.7
152.99469	5.4
168.04207	4.9
193.90297	1.6
224.06842	11.1
242.07863	1.9
253.21706	3.9
277.21719	100.0
278.21973	8.1
404.97150	1.6
502.29422	63.4
503.29483	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	552.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82028	1.1
59.01255	22.4
64.14055	1.1
71.38189	2.2
78.95780	22.5
79.46345	1.1
80.74307	1.0
96.95943	2.4
97.68752	1.2
122.73028	1.0
135.31519	1.3
152.99483	4.8
168.04266	3.3
198.37152	1.2
224.06888	8.5
242.07928	2.3
253.21710	100.0
254.22017	9.0
279.23361	7.9
280.23654	1.4
392.03769	1.2
470.02890	1.0
478.29404	54.6
479.29831	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	553.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06651	0.5
59.01257	4.7
69.37925	4.6
71.01254	1.4
71.25574	0.5
74.75039	0.5
75.00746	0.6
78.95783	1.1
85.02832	1.2
85.86899	0.6
89.18569	0.5
93.03326	4.0
95.01305	0.6
96.95881	3.8
105.74689	0.5
109.02821	1.0
113.02344	1.1
121.02859	5.4
122.03633	13.3
123.00763	0.7
123.04387	1.2
123.79314	0.5
124.01559	0.7
125.02346	1.5
128.70168	0.5
133.02879	1.6
136.01567	1.5
137.02353	1.2
149.01427	0.4
149.02345	19.0
150.03134	82.6
151.03448	3.4
163.03998	0.5
164.04691	4.6
165.05487	100.0
166.05840	4.7
169.01349	1.3
177.05504	0.8
180.04201	6.6
187.30351	0.5
190.06311	0.8
193.05031	0.6
195.06563	65.5
196.06868	3.0
219.08189	0.5
251.07201	0.7
263.07034	1.4
267.10168	0.6
269.08243	1.3
277.08368	0.6
279.06659	0.6
281.08264	2.5
282.08957	0.6
283.09711	0.8
289.06973	0.9
293.08112	0.7
294.08978	1.2
295.09753	1.0
296.06631	0.9
296.10327	1.1
297.07623	5.3
298.08084	0.5
299.42209	0.6
308.10483	0.9
309.07651	8.9
309.11331	2.4
310.07925	1.0
312.10062	4.9
313.10693	0.8
323.09262	1.8
324.10013	4.7
327.12378	20.1
328.12622	1.8
339.12366	18.9
340.12601	2.1
431.14752	0.6
457.16629	0.9
475.17587	3.5
476.17734	0.7
487.17886	0.9
505.18771	7.8
506.18799	1.2
509.22287	1.1
523.19476	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22652	3.0
58.02849	19.3
59.01262	14.6
70.38206	2.7
71.01265	21.7
71.59583	4.7
72.99224	2.5
85.02822	10.3
87.00743	3.0
88.03919	100.0
101.23942	3.1
113.02330	3.7
114.01879	14.8
115.00274	29.1
115.86721	2.7
125.02324	5.5
127.07520	3.0
130.05026	30.4
132.02917	31.9
149.02365	6.3
150.03201	14.3
151.00281	6.7
164.04736	5.1
165.05467	20.6
166.02666	18.3
174.03986	27.3
179.07036	6.8
181.04982	37.7
195.06580	5.2
229.05009	5.7
267.07391	3.8
322.89029	3.0
436.16315	4.8
437.14554	8.8
438.15030	3.1
552.17194	50.4
553.17340	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	551.38
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31828	2.4
55.01766	2.9
59.01253	73.3
61.98698	6.1
71.01257	31.2
71.59154	3.6
73.02826	11.5
80.05377	2.4
83.01270	6.0
85.02818	15.7
87.00748	2.2
89.02342	3.2
95.01268	3.6
96.95916	3.3
99.00734	4.0
101.02320	24.3
111.00729	2.5
113.02322	12.0
151.07550	7.7
159.02908	4.2
161.02339	3.0
161.04497	13.0
181.72554	3.2
183.04082	2.4
193.81154	2.6
195.06546	15.1
200.91415	2.3
209.08284	3.1
219.06583	4.2
220.53722	2.4
329.30737	3.8
382.70462	2.7
491.35895	100.0
492.36340	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	551.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.7
57.03329	1.6
58.00460	1.4
58.71700	0.7
59.01252	100.0
60.01596	1.1
61.98694	1.7
71.01257	28.2
72.01576	0.7
72.99188	1.1
73.02811	4.8
78.34125	0.6
78.95805	0.7
81.03326	1.2
83.01231	1.7
85.02816	9.6
87.00790	1.5
89.02312	17.1
89.02821	1.2
90.82188	0.6
95.01283	1.3
96.95933	1.3
99.00796	2.0
101.02325	16.7
113.02322	12.7
113.03034	0.8
119.03376	8.7
124.76389	0.7
125.02342	1.0
131.03462	1.1
133.02818	0.9
135.04434	1.9
143.03427	2.5
151.07599	1.4
159.02948	2.2
161.02400	2.8
161.03079	1.0
161.04469	20.3
162.04863	0.8
178.70004	0.7
179.05531	4.8
180.17706	0.8
195.06544	5.6
205.03558	1.0
205.16942	0.7
209.08163	2.6
219.06575	1.2
222.01160	0.7
233.08377	0.8
309.10260	0.8
329.30655	3.5
487.24713	0.7
491.35898	15.9
492.36340	2.2
551.32507	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	551.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
71.06725	62.9
78.17395	29.5
78.95777	100.0
93.58324	28.4
121.47240	31.5
140.61801	28.3
149.00357	27.2
152.99544	49.7
170.15294	27.4
189.97768	30.9
201.11192	32.4
241.21799	33.0
255.23074	30.6
279.23224	40.7
293.21268	45.5
311.16949	37.7
346.64661	34.7
357.06198	28.3
406.32101	26.8
551.29913	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	11.0
70.52850	0.9
71.01243	2.3
71.57973	1.1
78.95765	2.4
89.02318	2.6
91.44176	1.1
98.15753	1.0
101.02350	2.9
103.81096	0.9
116.88007	1.0
119.03376	1.0
153.87267	1.0
161.04396	1.2
235.08174	1.9
253.09273	10.6
254.09900	1.1
255.23270	100.0
256.23615	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	551.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	16.2
59.78280	1.0
65.28157	0.8
66.35552	0.8
71.01247	2.1
72.97973	0.9
85.02824	1.2
89.02318	2.4
98.20554	2.2
101.02322	2.1
110.59885	1.0
113.02323	1.2
117.22715	0.9
161.04434	1.3
235.08247	2.5
253.09283	12.4
255.23268	100.0
256.23645	10.0
288.40601	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52790	0.4
51.67545	0.5
52.52321	0.4
55.01748	1.3
55.21717	0.5
55.53978	0.5
57.03327	5.6
59.01252	13.6
67.01756	0.6
68.99693	0.6
69.03321	1.2
69.27474	5.5
71.01256	20.6
72.99180	5.1
73.02819	3.8
75.00748	25.1
83.01250	4.1
83.04906	0.6
84.02010	0.7
85.02824	31.8
85.99949	0.8
86.03173	0.7
87.00751	6.8
89.02324	3.6
95.01291	3.1
96.95885	6.8
98.02353	1.1
98.95477	6.1
98.96184	0.8
99.00764	9.2
99.01831	1.3
101.02325	7.7
103.00275	0.6
107.01244	0.6
108.02028	0.9
109.02843	1.3
111.00775	2.6
112.01530	0.6
113.02334	22.9
114.02665	0.6
115.00258	2.3
117.01812	1.7
121.02830	1.5
122.03640	2.4
123.04459	1.4
125.02361	3.1
129.01814	3.7
133.02922	0.7
135.04405	1.3
137.02365	1.4
139.00287	1.0
142.50032	0.5
147.04428	1.6
149.02351	0.7
154.02563	0.7
157.01382	1.0
161.04436	2.1
165.01863	0.9
165.05498	2.4
166.99614	0.6
167.03358	1.1
169.01349	0.6
175.02370	3.4
177.01845	0.6
179.07063	0.6
182.84456	0.6
205.03520	2.1
209.02904	0.5
209.08113	0.6
209.91859	0.5
214.06454	0.6
267.07104	0.7
285.04092	0.7
285.07849	1.0
303.05212	0.8
303.08844	1.5
347.10880	0.8
347.15039	11.5
348.15424	1.3
375.24030	0.7
551.27148	100.0
552.27533	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	551.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.5
59.01249	7.5
60.01586	0.6
61.98708	4.7
63.65675	0.4
65.00189	0.7
70.51376	0.3
71.01248	1.7
71.14384	0.9
71.14709	0.5
81.03336	6.1
81.03780	0.8
83.01257	1.1
85.06456	2.1
87.04346	0.5
89.02311	0.7
95.01228	0.5
95.04935	0.4
97.02847	0.7
101.02319	1.0
109.06487	2.4
111.04395	5.4
119.03414	0.4
123.04516	0.4
125.02347	5.8
127.07541	0.5
133.06483	0.7
136.05219	1.0
139.03908	0.5
149.02342	0.6
151.00259	0.7
151.07549	34.3
152.01042	0.9
152.07870	1.1
153.05470	0.7
161.02347	0.4
161.04466	0.8
163.07594	0.9
165.09123	0.7
175.00272	0.4
177.05510	1.0
179.07045	1.1
191.07018	0.9
195.06560	100.0
196.06862	4.4
196.75388	0.4
201.05508	0.9
207.06584	0.8
209.08148	4.1
219.06569	24.3
220.06926	1.4
237.07651	9.7
238.08073	0.5
249.07626	2.5
313.94247	0.4
491.35901	0.5
551.24945	6.3
551.32373	0.6
552.25378	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07972	2.2
57.03326	10.6
59.01258	89.9
62.20444	2.3
65.86529	2.6
68.99702	2.8
69.03336	4.4
70.57618	5.3
71.01259	55.8
71.78110	2.0
72.99196	8.5
73.02831	7.3
75.00753	60.8
83.01256	6.1
85.02834	58.1
87.00751	17.0
89.02330	21.3
95.01292	6.3
96.95923	2.4
97.02842	2.6
99.00770	19.4
101.02338	14.0
103.00266	3.0
109.02833	6.5
111.00831	3.7
111.58994	2.4
113.02341	52.4
115.00280	5.4
115.77974	2.3
117.01859	3.0
119.03426	6.8
121.02866	5.2
123.00792	2.1
125.02328	8.9
129.01849	5.3
135.04378	2.9
137.02330	4.3
157.01338	3.3
161.04634	2.7
165.01825	4.6
165.12814	3.9
169.01353	5.3
171.08105	2.6
173.04486	2.8
175.02347	5.0
176.97552	2.1
179.05452	2.4
183.13849	10.4
193.03430	3.1
193.05066	2.7
213.10272	2.3
217.14427	10.1
227.12827	7.0
257.04645	2.8
272.06924	3.2
287.09351	9.4
295.10907	18.6
329.16168	3.1
371.15051	3.8
379.19656	14.0
389.18097	4.7
403.19629	3.6
507.20895	100.0
507.27823	6.2
508.21249	12.9
513.90942	2.7
551.27014	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	551.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.6
56.65727	1.2
57.03319	6.5
59.01252	53.9
69.03326	1.4
69.64974	1.3
71.01256	35.3
72.99179	6.2
73.02824	15.6
75.00748	33.1
80.07293	1.3
83.01261	4.4
85.02824	51.2
87.00747	10.9
88.98679	1.6
89.02333	5.4
95.01263	4.4
96.95871	1.6
99.00766	16.8
101.02315	12.4
103.00275	2.0
111.00784	2.4
113.02335	40.3
114.93300	4.6
115.00287	2.7
117.01848	2.6
119.03388	1.9
121.02846	1.9
125.02349	4.2
131.03397	2.9
137.02368	2.2
139.00221	2.8
149.02396	1.9
151.03896	4.2
152.01111	2.0
153.01831	2.5
154.02634	1.4
157.01334	2.1
161.04437	2.2
167.03424	3.9
175.02386	5.0
209.08130	3.6
229.51646	1.8
273.07816	1.8
289.16547	3.9
348.00983	1.3
389.12369	5.4
403.19641	3.0
507.20834	100.0
508.21252	13.0
551.17560	3.1
551.31348	8.1
552.19055	1.8
552.26324	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	551.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	2.8
57.03322	10.0
59.01253	54.5
68.99698	1.7
69.03320	2.4
70.32752	4.7
71.01256	41.2
72.46069	1.2
72.99169	7.8
73.02824	10.4
75.00305	1.9
75.00747	52.2
83.01264	7.6
85.02824	54.9
86.03171	1.5
87.00755	12.9
89.02323	6.2
93.03343	1.2
95.01250	6.9
97.02869	1.6
98.19999	3.0
99.00758	18.6
101.02322	13.5
103.00253	2.2
111.00784	3.4
112.01672	1.2
113.02337	53.0
115.00259	4.6
116.92789	1.5
117.01848	2.6
121.02840	2.0
125.02316	5.0
129.01820	5.2
131.03429	1.8
137.02409	1.6
145.94507	1.2
152.01129	1.9
157.01308	2.1
161.04445	3.1
168.00571	1.3
175.02431	7.7
193.03481	8.9
201.11337	1.5
235.04529	3.4
249.06165	2.2
289.16617	2.6
403.19666	4.0
507.20816	100.0
508.21075	11.0
533.29651	1.9
550.26263	1.6
551.23138	11.5
551.32123	8.0
552.23895	2.0
576.34271	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33000	1.6
59.01252	24.1
65.68510	1.7
68.99687	2.3
71.01256	9.4
71.57465	1.7
73.02814	7.2
75.00749	3.4
78.95794	2.3
83.01241	2.6
84.21124	1.8
85.02821	4.4
93.03313	5.3
95.01266	2.0
101.02312	4.9
107.04903	1.8
108.02041	11.8
109.02884	2.9
113.02338	4.1
119.04920	4.4
121.02856	10.8
122.03638	17.1
123.00742	2.8
123.04418	10.1
125.02325	7.7
133.02853	3.7
134.03621	4.3
137.02351	2.3
138.03127	4.4
147.04391	6.1
149.02353	37.6
149.57793	1.8
150.03137	100.0
151.03618	3.5
161.02214	1.9
162.03087	6.5
163.03958	5.7
164.04649	6.9
165.05489	84.2
166.05779	3.8
175.03926	24.5
176.04646	3.9
177.05502	7.9
178.02621	17.8
179.43700	1.9
180.04172	3.9
181.63051	1.7
189.05594	2.0
190.06279	6.6
193.04990	26.7
195.06558	37.1
207.06633	2.4
208.03680	2.4
211.11238	3.6
218.05728	5.4
222.05283	12.6
223.14902	7.3
237.05415	4.1
241.15927	9.1
243.32718	1.8
251.07050	2.4
257.86353	1.7
265.08652	8.8
267.06625	7.2
279.06674	15.3
281.08234	3.4
290.16592	1.8
291.06580	6.0
292.07321	6.8
293.08191	18.2
294.05478	3.3
294.08820	6.3
295.06140	16.9
295.09271	3.2
296.06772	4.2
297.07642	4.9
306.08890	4.9
307.06119	15.5
307.09473	3.8
308.06348	2.6
309.07813	14.0
310.08569	13.5
311.09122	6.0
312.09937	3.1
315.78195	1.9
321.07593	2.9
322.08249	10.8
323.09076	5.2
324.10074	6.3
325.10831	26.7
327.12381	6.1
329.13858	7.3
337.10791	34.8
338.11078	2.2
339.12308	5.0
348.96829	2.1
394.82825	1.7
415.11804	3.7
429.13199	6.6
443.11133	6.0
457.12485	2.3
458.13644	7.0
459.14304	5.0
471.43347	2.1
473.16031	47.1
474.16422	4.9
485.16040	6.3
503.17123	74.1
504.17645	9.1
521.18048	14.3
551.07233	2.5
551.10004	2.6
551.19513	44.1
552.19965	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	551.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33000	1.6
59.01252	24.1
65.68510	1.7
68.99687	2.3
71.01256	9.4
71.57465	1.7
73.02814	7.2
75.00749	3.4
78.95794	2.3
83.01241	2.6
84.21124	1.8
85.02821	4.4
93.03313	5.3
95.01266	2.0
101.02312	4.9
107.04903	1.8
108.02041	11.8
109.02884	2.9
113.02338	4.1
119.04920	4.4
121.02856	10.8
122.03638	17.1
123.00742	2.8
123.04418	10.1
125.02325	7.7
133.02853	3.7
134.03621	4.3
137.02351	2.3
138.03127	4.4
147.04391	6.1
149.02353	37.6
149.57793	1.8
150.03137	100.0
151.03618	3.5
161.02214	1.9
162.03087	6.5
163.03958	5.7
164.04649	6.9
165.05489	84.2
166.05779	3.8
175.03926	24.5
176.04646	3.9
177.05502	7.9
178.02621	17.8
179.43700	1.9
180.04172	3.9
181.63051	1.7
189.05594	2.0
190.06279	6.6
193.04990	26.7
195.06558	37.1
207.06633	2.4
208.03680	2.4
211.11238	3.6
218.05728	5.4
222.05283	12.6
223.14902	7.3
237.05415	4.1
241.15927	9.1
243.32718	1.8
251.07050	2.4
257.86353	1.7
265.08652	8.8
267.06625	7.2
279.06674	15.3
281.08234	3.4
290.16592	1.8
291.06580	6.0
292.07321	6.8
293.08191	18.2
294.05478	3.3
294.08820	6.3
295.06140	16.9
295.09271	3.2
296.06772	4.2
297.07642	4.9
306.08890	4.9
307.06119	15.5
307.09473	3.8
308.06348	2.6
309.07813	14.0
310.08569	13.5
311.09122	6.0
312.09937	3.1
315.78195	1.9
321.07593	2.9
322.08249	10.8
323.09076	5.2
324.10074	6.3
325.10831	26.7
327.12381	6.1
329.13858	7.3
337.10791	34.8
338.11078	2.2
339.12308	5.0
348.96829	2.1
394.82825	1.7
415.11804	3.7
429.13199	6.6
443.11133	6.0
457.12485	2.3
458.13644	7.0
459.14304	5.0
471.43347	2.1
473.16031	47.1
474.16422	4.9
485.16040	6.3
503.17123	74.1
504.17645	9.1
521.18048	14.3
551.07233	2.5
551.10004	2.6
551.19513	44.1
552.19965	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	551.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80070	1.9
59.01251	29.4
68.99689	4.2
71.01235	11.7
71.57598	2.8
72.99180	2.6
73.02821	9.2
75.00743	3.0
75.36691	1.7
76.86892	1.6
78.95777	4.4
80.17377	1.6
83.01247	5.0
85.02837	6.9
87.00773	2.2
89.02300	2.3
93.03327	5.7
101.02322	7.2
102.01833	2.8
103.00293	1.9
108.02056	15.8
113.02341	5.7
119.04902	5.5
121.02847	9.6
122.03650	16.7
123.00774	2.5
123.04414	14.4
125.02322	5.9
132.02020	2.1
133.02827	2.3
134.03632	4.0
136.01511	2.3
137.02328	3.2
138.03128	2.3
146.11369	1.7
147.04414	5.9
149.02341	30.9
150.03125	100.0
151.03639	3.3
161.02307	3.9
162.03113	5.5
163.03911	6.3
164.04697	7.4
165.05481	85.0
166.05814	4.1
175.03900	25.1
176.04625	3.0
177.05498	11.9
178.02618	17.7
180.04224	6.6
182.29346	1.9
188.04652	3.0
190.06284	7.4
193.04990	30.9
193.06667	1.2
195.06558	40.3
207.06560	3.6
211.11276	3.8
215.14638	2.1
218.05765	5.0
222.05251	11.0
223.07579	2.0
223.14877	8.0
235.07465	2.0
237.05333	3.4
239.07118	1.9
241.15993	8.5
251.07140	2.6
255.10262	3.2
264.07901	2.1
265.04910	2.9
265.08655	9.4
266.05923	2.8
267.06659	6.1
279.06693	9.6
280.06995	2.6
291.06616	9.7
292.07324	4.7
293.08176	14.4
294.05515	4.0
294.08737	4.4
295.06149	16.6
295.09262	3.1
296.06799	7.1
297.07700	5.7
306.08826	4.4
307.06067	19.4
307.09442	3.7
309.07803	12.0
309.11035	3.2
310.08444	14.1
311.09067	5.1
322.08371	9.5
323.08936	4.4
324.09860	8.3
325.10736	29.1
326.11307	2.9
327.12106	4.3
329.13940	8.6
337.10812	33.2
338.11115	3.6
339.12378	3.9
379.11688	2.8
385.10715	1.9
415.11905	2.9
421.22198	2.9
427.11819	2.9
429.13211	5.5
443.11224	6.6
457.12692	3.5
458.13641	5.9
459.14331	7.5
473.16055	45.7
474.16290	6.6
485.16092	5.8
503.09668	4.0
503.17117	80.9
504.17535	12.8
519.22784	2.1
521.18054	16.0
551.19678	49.8
552.20123	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	551.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33000	1.6
59.01252	24.1
65.68510	1.7
68.99687	2.3
71.01256	9.4
71.57465	1.7
73.02814	7.2
75.00749	3.4
78.95794	2.3
83.01241	2.6
84.21124	1.8
85.02821	4.4
93.03313	5.3
95.01266	2.0
101.02312	4.9
107.04903	1.8
108.02041	11.8
109.02884	2.9
113.02338	4.1
119.04920	4.4
121.02856	10.8
122.03638	17.1
123.00742	2.8
123.04418	10.1
125.02325	7.7
133.02853	3.7
134.03621	4.3
137.02351	2.3
138.03127	4.4
147.04391	6.1
149.02353	37.6
149.57793	1.8
150.03137	100.0
151.03618	3.5
161.02214	1.9
162.03087	6.5
163.03958	5.7
164.04649	6.9
165.05489	84.2
166.05779	3.8
175.03926	24.5
176.04646	3.9
177.05502	7.9
178.02621	17.8
179.43700	1.9
180.04172	3.9
181.63051	1.7
189.05594	2.0
190.06279	6.6
193.04990	26.7
195.06558	37.1
207.06633	2.4
208.03680	2.4
211.11238	3.6
218.05728	5.4
222.05283	12.6
223.14902	7.3
237.05415	4.1
241.15927	9.1
243.32718	1.8
251.07050	2.4
257.86353	1.7
265.08652	8.8
267.06625	7.2
279.06674	15.3
281.08234	3.4
290.16592	1.8
291.06580	6.0
292.07321	6.8
293.08191	18.2
294.05478	3.3
294.08820	6.3
295.06140	16.9
295.09271	3.2
296.06772	4.2
297.07642	4.9
306.08890	4.9
307.06119	15.5
307.09473	3.8
308.06348	2.6
309.07813	14.0
310.08569	13.5
311.09122	6.0
312.09937	3.1
315.78195	1.9
321.07593	2.9
322.08249	10.8
323.09076	5.2
324.10074	6.3
325.10831	26.7
327.12381	6.1
329.13858	7.3
337.10791	34.8
338.11078	2.2
339.12308	5.0
348.96829	2.1
394.82825	1.7
415.11804	3.7
429.13199	6.6
443.11133	6.0
457.12485	2.3
458.13644	7.0
459.14304	5.0
471.43347	2.1
473.16031	47.1
474.16422	4.9
485.16040	6.3
503.17123	74.1
504.17645	9.1
521.18048	14.3
551.07233	2.5
551.10004	2.6
551.19513	44.1
552.19965	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	551.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10579	1.5
57.03321	5.4
59.01255	39.4
61.98716	4.0
68.99685	1.6
69.03316	6.6
71.01257	21.2
71.37914	2.9
72.99196	3.7
73.02821	4.1
75.00746	13.2
81.03304	3.0
83.01269	7.0
85.02832	22.1
87.00763	6.1
89.02319	5.1
93.03355	1.8
95.01277	7.0
96.95929	1.7
97.02852	5.0
99.00751	6.8
101.02341	6.7
105.03294	1.4
107.01295	3.4
108.02077	1.7
109.02855	4.9
111.00760	1.8
113.02346	10.5
119.04942	3.8
121.02811	6.5
122.03633	3.3
123.00762	12.1
124.01566	33.1
125.02353	82.0
126.02704	1.9
131.03488	1.7
134.03685	2.4
135.04434	3.6
136.01585	1.5
137.02370	7.5
147.04468	1.4
149.01118	1.1
149.02335	7.9
149.05956	1.6
149.98320	2.4
149.99516	43.3
150.03149	13.6
151.00357	3.3
151.03944	3.4
151.07610	2.0
152.01146	1.8
160.03996	2.7
161.02342	3.9
162.06787	2.7
163.03922	2.8
163.07552	4.1
165.01907	2.5
165.05528	14.7
165.09079	1.7
166.99805	2.4
167.03360	3.1
168.00571	66.5
169.01341	12.8
175.02513	1.8
175.03946	4.3
179.03476	4.0
193.05009	2.3
194.05821	3.6
195.06487	8.2
196.06581	1.5
209.08208	3.7
237.07639	2.7
287.05710	1.8
293.08218	2.7
310.08368	2.0
313.05780	2.4
322.08215	1.8
323.08762	1.6
325.10843	3.5
329.14005	2.6
337.10822	6.0
429.18320	5.7
431.12930	1.9
447.19229	8.9
473.16101	6.1
485.16922	1.6
503.17111	11.6
504.18106	2.7
521.17920	3.1
533.12714	3.4
551.14203	100.0
551.23334	22.8
552.14508	16.3
552.23651	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	6.3
59.01254	40.5
60.99176	5.3
71.01255	23.3
71.60297	4.1
72.99193	5.8
73.02828	5.7
75.00739	7.7
81.03316	3.0
83.01267	5.7
85.02829	29.5
87.00744	5.4
88.98678	31.9
89.02307	11.5
93.03335	3.9
95.01276	5.8
95.83491	2.3
96.95946	2.9
99.00735	3.4
101.02313	10.1
108.02053	49.1
109.02832	7.7
111.00739	4.4
113.02380	15.2
113.03090	2.2
115.00105	2.2
117.01822	2.7
121.02852	21.4
123.00802	4.2
124.01547	2.3
125.02330	7.5
125.97132	2.5
129.01834	5.9
134.03629	3.8
135.04472	3.7
137.02347	10.1
139.03864	2.5
149.02371	4.9
151.00259	5.0
152.01070	87.7
153.01776	4.8
161.04567	3.2
163.00237	2.7
163.03915	5.4
169.01404	4.6
178.99896	3.2
193.03503	2.3
205.03548	4.1
227.03410	3.8
229.05132	2.9
243.02847	4.0
271.02408	37.0
285.03946	22.2
298.98688	4.9
299.01981	71.8
300.02368	5.9
301.03223	2.9
302.03317	3.3
313.03430	12.5
314.04413	20.0
328.05719	3.9
329.06656	100.0
330.07025	8.2
331.06979	4.0
347.07513	5.8
371.07544	3.0
429.10416	30.1
461.07184	23.2
462.07321	4.4
491.11951	45.2
492.12238	8.0
550.26361	4.0
551.14160	51.9
551.24231	9.0
551.31018	8.2
552.14282	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	551.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86438	0.3
57.03330	0.6
59.01252	4.9
67.01771	0.5
69.03310	2.1
69.21410	0.3
69.63610	2.2
71.01257	2.8
73.02814	0.6
75.00751	1.6
81.03328	0.9
83.01263	0.7
85.02825	2.7
87.00752	0.8
89.02315	1.2
92.59020	0.3
95.01290	1.6
97.02837	2.0
98.19798	0.5
99.00743	0.5
101.02322	1.4
104.87414	0.3
105.47727	0.3
107.01266	0.4
109.02810	0.4
111.00771	0.9
112.49502	0.3
113.02334	1.7
119.04970	0.3
121.02837	0.5
123.00775	3.1
123.04433	0.3
124.01559	5.4
125.02341	78.0
126.02699	2.4
129.01822	0.3
133.79341	0.3
137.02367	0.8
139.00244	1.0
149.02283	0.6
153.83687	0.3
165.01759	0.4
166.99762	1.2
167.03455	0.3
168.00571	7.9
169.01341	100.0
169.12236	0.4
170.01695	3.6
175.03972	0.3
193.01340	0.4
195.02858	0.3
203.12801	0.6
211.02431	1.2
237.07698	1.6
267.07147	0.5
303.08728	0.3
313.05646	3.4
314.46747	0.3
347.11508	0.8
349.18610	3.3
469.44257	0.3
480.38556	0.3
507.28067	0.5
551.14075	36.2
551.26196	2.1
552.14410	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	551.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77069	2.4
59.01247	6.7
71.41778	6.1
78.95795	7.8
79.93135	2.2
91.01772	67.7
95.77081	2.7
109.02836	25.2
117.03321	3.8
118.88747	2.4
119.04922	7.2
135.00786	31.7
153.01851	71.4
172.88774	2.5
197.06070	6.9
209.06029	6.4
210.03114	9.1
211.03964	3.4
225.05588	9.1
239.03461	11.5
241.05038	4.0
253.05080	41.1
254.05876	11.9
266.02158	6.1
267.02951	3.8
281.04477	6.4
282.05258	22.6
283.02298	3.1
297.07623	20.1
298.04657	3.4
355.06314	4.2
357.07687	8.5
383.05664	4.5
385.07346	12.2
400.09500	63.9
401.09888	10.1
411.05191	3.7
415.11899	100.0
416.12149	13.0
426.07520	14.9
434.09668	2.8
441.09799	48.4
442.10181	5.7
536.11407	4.2
551.13477	69.6
552.13800	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	551.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10579	1.5
57.03321	5.4
59.01255	39.4
61.98716	4.0
68.99685	1.6
69.03316	6.6
71.01257	21.2
71.37914	2.9
72.99196	3.7
73.02821	4.1
75.00746	13.2
81.03304	3.0
83.01269	7.0
85.02832	22.1
87.00763	6.1
89.02319	5.1
93.03355	1.8
95.01277	7.0
96.95929	1.7
97.02852	5.0
99.00751	6.8
101.02341	6.7
105.03294	1.4
107.01295	3.4
108.02077	1.7
109.02855	4.9
111.00760	1.8
113.02346	10.5
119.04942	3.8
121.02811	6.5
122.03633	3.3
123.00762	12.1
124.01566	33.1
125.02353	82.0
126.02704	1.9
131.03488	1.7
134.03685	2.4
135.04434	3.6
136.01585	1.5
137.02370	7.5
147.04468	1.4
149.01118	1.1
149.02335	7.9
149.05956	1.6
149.98320	2.4
149.99516	43.3
150.03149	13.6
151.00357	3.3
151.03944	3.4
151.07610	2.0
152.01146	1.8
160.03996	2.7
161.02342	3.9
162.06787	2.7
163.03922	2.8
163.07552	4.1
165.01907	2.5
165.05528	14.7
165.09079	1.7
166.99805	2.4
167.03360	3.1
168.00571	66.5
169.01341	12.8
175.02513	1.8
175.03946	4.3
179.03476	4.0
193.05009	2.3
194.05821	3.6
195.06487	8.2
196.06581	1.5
209.08208	3.7
237.07639	2.7
287.05710	1.8
293.08218	2.7
310.08368	2.0
313.05780	2.4
322.08215	1.8
323.08762	1.6
325.10843	3.5
329.14005	2.6
337.10822	6.0
429.18320	5.7
431.12930	1.9
447.19229	8.9
473.16101	6.1
485.16922	1.6
503.17111	11.6
504.18106	2.7
521.17920	3.1
533.12714	3.4
551.14203	100.0
551.23334	22.8
552.14508	16.3
552.23651	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.9
57.03342	0.6
59.01250	100.0
60.01600	0.9
61.98709	2.6
65.45172	0.6
69.95048	1.3
69.95448	1.4
71.01252	20.2
73.02825	4.3
73.13144	0.5
75.00751	0.7
83.01279	1.1
85.02827	6.1
89.01767	0.7
89.02318	11.7
95.01300	1.2
99.00777	2.0
101.02325	12.4
102.97418	0.5
105.06552	0.6
113.02322	11.3
117.13109	0.5
119.03380	6.5
121.02883	0.8
143.03413	1.8
159.02919	1.8
161.04472	13.8
179.05542	2.2
198.20575	0.6
215.61487	0.5
263.29413	0.7
327.29141	1.6
489.34296	6.8
490.34882	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00497	4.3
58.06416	4.4
59.01252	100.0
71.01252	60.1
73.02816	15.5
78.95762	6.0
83.01263	8.8
83.68385	4.8
85.02834	20.5
89.02320	10.8
96.37951	4.6
96.95863	4.9
99.00790	5.0
101.02322	30.3
113.02312	24.7
113.77982	4.8
121.02863	7.0
121.91505	5.6
152.99408	7.1
159.02998	6.2
161.04437	40.9
227.99158	4.6
229.97932	6.6
269.07489	5.0
327.29074	11.0
328.28946	4.7
356.96310	5.5
389.16614	5.1
389.24063	4.8
420.03271	4.6
489.34177	30.7
490.34259	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	550.084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79972	3.1
54.22955	3.0
54.35926	3.5
55.01274	3.1
57.03326	3.6
59.01254	19.7
59.01508	3.4
59.37866	2.9
60.34502	3.3
65.00201	6.4
65.99726	5.8
69.36739	14.3
69.37170	18.1
71.01264	17.0
72.99186	16.2
73.02811	6.3
75.00756	10.2
77.07762	3.7
83.01298	3.3
85.02817	26.2
87.00752	5.4
89.02306	6.9
93.03342	3.6
95.01273	10.0
99.00751	10.4
100.51494	3.4
101.02312	4.4
102.25981	3.7
103.00274	3.8
109.02850	17.5
109.99995	5.0
111.00782	13.7
113.02369	17.5
121.02848	5.9
123.00762	11.4
125.02316	11.1
128.64378	3.3
133.02834	4.8
133.79539	3.7
134.02364	5.1
137.02345	14.7
139.00281	18.4
141.01825	7.1
149.02382	14.5
151.00278	26.5
153.01894	8.5
154.66713	3.3
158.99121	3.1
159.04417	3.9
161.02348	5.5
162.01883	6.5
163.00284	9.0
164.01097	4.7
164.03424	4.3
165.01849	11.0
165.98987	3.8
166.99788	13.0
167.03453	4.6
169.01382	5.0
175.00301	10.9
177.01874	15.9
178.01408	12.6
178.99799	27.9
180.00095	3.7
180.02885	3.9
181.01317	4.1
183.83313	4.0
188.03479	3.6
190.99831	5.7
193.01349	52.4
193.03473	12.3
194.99326	12.0
202.01384	6.6
204.02959	6.6
205.01401	6.0
206.00940	5.0
206.99324	6.0
209.00861	10.3
213.01920	4.6
213.05550	4.1
219.03020	7.5
220.02437	13.9
227.03488	5.5
243.03003	6.9
246.00479	3.8
248.01994	7.8
257.04529	3.7
259.02612	4.7
271.02478	10.9
285.03973	4.6
287.01956	8.8
289.03839	8.6
291.01611	4.1
301.03452	18.4
310.03610	5.2
311.01956	4.9
312.05234	11.6
315.01370	5.0
316.02087	22.6
327.86078	4.2
328.04858	5.1
329.02893	28.2
333.02396	8.2
338.03174	23.6
339.03354	4.4
347.03973	6.4
348.04126	3.6
356.04105	100.0
357.04401	9.3
369.04703	9.9
374.05145	63.5
375.05331	6.7
398.07074	4.4
414.06689	10.1
424.05197	6.5
523.07416	4.6
532.07135	6.1
532.94189	3.7
549.25494	8.0
550.08081	5.8
550.23230	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	549.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01591	1.6
71.01259	19.3
71.23869	1.4
71.57592	1.8
71.57956	1.8
72.42538	1.7
72.99158	2.0
77.06260	1.7
78.95764	1.6
85.02821	1.8
89.02321	30.6
101.02336	10.1
113.02332	10.3
119.03389	11.5
121.02851	4.4
143.03377	3.1
161.04411	2.6
179.05554	9.4
196.89363	2.1
238.41516	1.7
334.07397	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	549.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.8
55.45692	0.2
57.03322	1.9
59.01250	100.0
60.01574	1.4
68.99687	0.6
69.03330	0.5
71.01254	12.6
71.34772	0.6
72.99189	0.8
73.02821	3.6
74.41785	0.3
78.95804	0.4
81.03318	0.4
83.01256	3.0
85.02823	8.7
85.99947	0.3
87.00783	0.8
88.98679	0.6
89.02328	1.3
94.96537	0.3
95.01263	1.8
97.02843	1.1
99.00745	1.7
101.02325	7.6
107.01341	0.3
108.02045	1.5
111.00768	0.6
112.01555	0.4
112.03619	0.3
113.02330	8.9
115.03927	1.1
123.04431	1.2
125.02356	1.6
129.01926	0.3
132.02040	0.4
143.03403	4.0
145.02898	0.3
150.03160	0.9
157.12282	0.8
159.02965	1.0
161.04462	2.9
162.03180	0.5
163.03987	0.5
169.01352	0.6
173.12332	0.3
177.05537	0.5
178.02655	1.8
187.64011	0.3
193.04985	3.0
193.06268	0.3
218.05789	0.3
223.20665	0.6
255.10355	0.5
279.06488	0.4
281.08072	0.3
295.06198	0.8
297.24551	0.4
299.25891	1.9
307.06265	0.8
309.07565	0.5
310.08646	0.8
322.08597	0.5
324.10071	0.4
325.10934	1.2
327.29114	0.5
337.10925	0.9
338.11063	0.3
345.30078	8.9
346.30414	0.7
387.31122	0.6
441.32303	0.7
453.32175	0.5
459.33603	1.0
489.34335	24.4
490.34695	4.0
507.35345	15.4
508.35776	1.9
549.17139	2.0
549.35706	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99156	1.3
55.01743	1.8
57.03309	2.0
59.01250	100.0
71.01248	15.3
73.02808	5.4
78.95795	1.6
83.01247	4.5
85.02832	7.1
89.02310	2.7
95.01266	1.8
98.19962	5.2
99.00767	2.2
101.02327	15.9
111.00730	1.1
113.02329	6.7
116.43439	1.2
125.02250	1.4
159.02916	1.9
161.04465	10.2
203.74988	1.2
229.42546	1.1
229.66914	1.4
327.28934	2.3
408.59796	1.1
489.34311	52.1
490.34586	7.9
549.35596	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22014	0.3
55.01767	0.6
57.03330	1.7
59.01254	100.0
59.04679	0.4
60.01596	0.7
69.03304	0.5
71.01257	15.2
71.57706	0.6
72.99178	0.8
73.02824	3.1
75.00770	0.6
78.95809	0.4
83.01262	2.5
84.88531	0.5
85.02827	9.6
87.00761	0.9
88.42756	0.3
89.02325	3.5
95.01266	1.8
96.95879	0.4
97.02834	0.7
99.00772	2.1
101.02330	8.4
101.69725	0.4
104.52066	0.3
111.00768	0.5
112.01543	0.4
113.02338	10.7
116.45368	0.3
119.03394	0.6
124.01577	0.4
125.02357	1.8
129.01860	0.4
143.03395	1.5
159.02979	0.7
161.04485	3.4
169.01340	0.6
256.02441	0.4
299.26007	1.5
327.29239	0.4
345.30029	4.4
346.30728	0.9
410.55334	0.4
489.34320	31.9
490.34576	4.9
507.35361	16.5
507.42975	0.4
508.35733	2.6
549.23755	2.0
549.36359	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23972	1.4
55.01753	3.3
57.03323	2.3
58.00459	3.7
59.01251	100.0
61.98686	1.5
71.01253	55.0
72.99208	1.7
73.02820	12.9
80.36265	1.4
80.59751	1.5
83.01266	6.7
85.02824	21.2
87.00752	1.9
89.02316	20.9
94.97394	2.0
95.01263	3.0
98.19757	3.0
99.00780	6.8
101.02322	38.0
113.02322	25.1
119.03395	12.2
129.01842	1.6
131.03398	1.9
141.12718	1.7
143.03392	4.4
150.77155	1.5
155.14272	1.4
159.02919	5.5
161.04474	33.0
165.12671	1.7
179.05536	8.0
184.21635	1.4
205.03496	3.6
223.67957	1.4
288.20010	1.7
297.28052	3.1
319.56723	1.5
327.29080	19.1
328.29446	2.9
489.34445	25.0
490.34659	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.9
57.03320	5.2
58.00482	0.7
59.01251	11.8
67.01758	0.6
68.99678	0.5
69.03344	0.6
71.01252	23.6
71.57211	0.3
71.57597	0.4
72.99174	3.9
73.02517	0.3
73.02831	3.6
75.00746	24.2
83.01254	3.5
84.02070	0.6
85.02823	28.4
85.99969	0.3
87.00744	6.7
89.02319	3.1
95.01269	3.5
96.95905	0.6
97.02822	0.9
99.00755	9.1
99.04376	0.4
101.02316	7.0
103.00258	0.8
111.00755	1.2
112.01559	0.6
113.02330	25.2
115.00268	2.4
117.01805	1.7
119.03395	0.6
125.02341	1.2
128.03465	0.4
129.01822	1.1
133.01378	0.5
137.02368	0.5
143.03433	0.5
143.04533	0.5
146.03532	0.4
157.01328	0.9
159.02942	0.4
161.04445	1.3
170.11681	0.4
173.04488	0.7
175.02400	2.6
205.07112	0.5
211.17043	0.7
243.02921	0.7
246.57768	0.4
255.02864	0.8
257.20566	0.3
271.02399	1.6
300.02844	2.2
301.03464	1.5
306.07599	1.1
315.12234	0.4
344.46878	0.4
373.22189	0.7
431.23010	0.4
489.23816	0.5
501.04581	0.4
505.09756	1.7
549.25507	100.0
550.25842	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	549.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	1.4
57.03324	7.0
58.00451	0.5
59.01255	18.8
60.99188	0.5
61.16300	0.5
62.50425	0.4
62.84533	0.4
63.95858	0.4
67.51028	0.4
68.99668	0.5
69.03310	1.1
70.14362	1.6
71.01255	27.9
72.99187	5.9
73.02818	4.2
75.00746	29.3
79.15495	0.5
81.03329	0.5
83.01255	3.7
83.04893	0.5
85.02826	36.0
85.50793	0.4
85.99972	0.5
86.03153	0.7
87.00750	10.5
89.02325	4.3
93.03330	0.6
95.01277	4.4
96.95899	3.1
97.02827	1.1
99.00761	10.7
101.02332	8.4
103.00216	1.3
109.02834	1.2
111.00759	2.2
112.01540	1.0
113.02333	32.6
114.02647	0.9
115.00263	2.8
117.01810	1.9
119.03424	1.0
121.02838	0.9
123.83970	0.4
124.01469	0.6
125.02325	4.7
129.01823	2.2
131.03398	0.7
135.04350	1.0
137.02328	2.9
143.03371	0.6
149.02350	0.5
151.00250	0.9
151.03954	0.7
152.03308	0.4
157.01314	1.2
161.04443	1.6
161.05873	0.6
168.00571	0.7
169.01294	1.5
173.04532	0.5
175.02425	3.7
175.03790	0.6
179.03421	0.6
187.03963	0.5
191.03375	0.6
203.07079	0.5
213.02956	0.4
229.80797	0.4
237.11217	0.5
243.02968	0.6
249.06084	1.1
255.02840	0.6
266.91449	0.4
267.07126	2.4
271.02405	0.9
271.05963	1.2
289.07269	0.5
300.02771	1.7
301.03369	1.2
315.01407	0.8
330.03732	0.8
345.06131	0.5
345.10046	0.6
373.22205	1.7
431.23135	0.6
454.88791	0.5
486.64709	0.5
505.09705	0.7
505.26678	1.1
549.25494	100.0
550.25842	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	549.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	3.6
58.00469	4.4
59.01250	100.0
65.34457	1.4
69.74694	1.7
71.01254	75.2
71.58627	1.6
71.59064	2.3
72.99187	7.7
73.02818	5.1
73.59758	1.6
75.00771	2.3
83.01231	4.1
85.02832	22.2
87.00751	3.5
89.02319	87.3
94.23364	1.4
95.01279	4.9
96.95904	1.7
97.02782	1.5
101.02325	48.5
101.02999	2.5
113.02334	34.3
119.03392	35.8
125.02348	3.7
129.01805	1.7
131.03419	3.2
143.03407	6.9
143.48135	1.8
144.06581	2.5
149.04433	3.1
161.04462	12.1
179.05562	16.2
189.13025	1.7
387.20221	8.8
536.65045	2.1
549.25525	36.9
550.25562	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	549.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60162	0.4
51.63404	0.4
52.38345	0.4
52.70297	0.4
55.01751	1.3
57.03326	4.1
58.00454	0.6
59.01254	20.2
60.99143	0.4
67.01765	0.7
68.99686	0.8
69.03300	0.6
69.85632	2.1
70.31985	0.3
71.01257	24.7
72.01583	0.4
72.99182	5.3
73.02838	2.1
75.00751	27.0
80.02847	0.5
83.01260	2.5
85.02829	30.5
87.00755	7.1
89.02317	8.6
95.01279	3.0
95.66183	0.4
97.02834	0.9
99.00758	8.9
101.02327	5.4
103.00234	1.2
109.02784	0.6
109.32700	0.4
111.00761	0.9
112.01533	0.5
113.02335	26.2
114.02673	0.7
115.00272	2.1
117.01816	1.3
117.19599	0.4
119.03426	2.0
129.01840	1.0
131.03384	1.9
139.00255	0.8
139.03972	0.6
149.02267	0.4
151.00243	0.9
157.01329	1.2
166.99751	0.5
173.04472	3.1
175.02417	3.1
178.01283	0.5
178.99771	1.2
191.05453	0.7
193.01375	1.1
193.03394	0.7
215.05637	0.6
243.03064	0.4
287.02258	0.6
289.50961	0.4
301.03506	0.7
316.02267	0.7
329.03134	1.2
338.03021	0.7
356.03983	3.0
369.04694	0.5
374.05219	1.6
431.23019	0.6
442.46771	0.4
489.23111	0.4
531.66187	0.4
549.25568	100.0
550.25940	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	549.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10009	0.4
52.98064	0.6
57.03322	1.0
59.01252	20.7
61.98724	0.6
65.69306	0.4
66.22137	0.4
69.84687	0.4
71.01257	3.9
71.59893	0.8
73.02796	0.6
75.00743	1.4
83.01263	1.3
85.02831	4.1
87.00767	1.0
88.98672	1.4
89.02335	2.2
93.03328	0.6
95.01245	1.0
97.02803	0.5
99.00750	0.7
101.02314	1.9
107.01244	0.5
109.02831	1.7
113.02331	3.8
120.59624	0.4
121.02873	1.0
123.00758	1.4
123.04376	0.6
125.02332	6.2
129.01941	0.5
133.02831	0.7
135.04413	3.2
136.01588	1.0
137.02345	10.2
143.03358	0.7
147.04399	0.7
148.01579	1.8
149.02341	5.0
151.00269	0.7
151.03886	2.1
152.04697	0.8
153.01900	0.6
160.01556	1.6
161.02338	1.7
161.04431	0.8
162.03104	0.8
163.03946	6.1
164.04689	3.2
165.01868	0.5
167.03441	2.5
169.01332	2.0
175.03908	0.9
177.01851	0.5
177.05458	1.3
181.04970	0.6
184.03680	2.0
187.03934	0.8
191.03351	0.6
193.05031	0.4
195.06572	0.5
201.05515	0.6
211.11276	0.7
213.05534	0.6
215.03450	1.0
229.04985	1.4
239.03430	1.0
241.04964	1.0
250.38817	0.4
253.04738	0.5
255.10211	1.2
257.04532	1.8
267.02979	1.4
268.03790	1.9
269.04565	3.3
270.05099	0.8
271.06268	0.6
282.05246	0.7
283.06207	2.0
284.06845	2.7
285.04062	28.6
286.04465	2.1
289.07037	0.6
297.07581	0.8
298.04980	1.1
298.08426	1.1
299.05966	0.8
299.09232	15.2
300.02908	0.9
300.06421	10.7
300.09579	1.2
301.06924	0.9
315.08746	25.6
316.09024	2.9
330.11087	17.9
331.11523	2.2
345.13419	100.0
345.30072	1.4
346.13748	8.7
346.17563	0.3
387.18362	0.6
477.19778	0.6
489.34473	3.5
507.35397	1.3
549.25842	2.5
549.33240	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28810	0.7
57.03323	1.7
59.01250	12.3
69.03330	2.2
71.01254	8.1
72.99164	1.0
73.02811	1.5
75.00745	3.2
75.21616	0.7
79.33430	0.7
81.03317	0.9
83.01241	2.5
85.02824	8.3
85.93175	0.8
87.00739	1.9
89.02327	4.3
93.03326	1.4
94.85192	0.7
95.01252	2.3
95.04932	1.0
96.95921	1.1
97.02841	5.3
99.00752	3.3
99.04362	1.1
101.02312	3.1
101.05937	1.4
107.04899	3.1
109.02810	2.9
111.00768	5.0
111.04393	0.9
113.02317	5.3
121.02859	6.4
123.00767	1.6
123.04347	1.0
123.08026	1.0
124.01478	1.3
125.02349	6.1
125.05972	5.7
129.01811	2.1
135.00780	0.9
135.04451	1.8
137.02364	5.1
138.03072	0.8
139.00272	5.4
139.03889	2.2
140.01035	2.0
141.01834	3.6
150.03111	1.0
151.00284	1.2
151.03915	1.8
151.07552	1.0
152.01041	1.2
153.01866	6.8
154.02635	10.0
155.03305	0.8
157.06445	0.7
163.00243	2.3
163.03937	1.5
164.01050	2.6
165.01840	6.3
165.05429	1.2
166.02594	0.9
167.03394	2.4
168.00560	2.2
169.01282	1.1
174.03172	0.8
177.01895	1.0
177.05518	2.4
177.09099	1.0
178.99681	0.8
179.03416	1.5
179.07025	2.4
180.00505	1.5
181.01376	2.6
181.04930	0.8
181.08620	1.7
182.02132	15.2
183.02927	12.2
183.06534	7.9
184.18776	0.7
191.07031	2.1
193.01433	0.9
193.08670	4.1
195.02980	1.1
195.06558	19.3
196.07059	0.9
205.05022	1.0
205.08658	1.3
207.02925	8.3
207.06540	2.0
208.07426	1.5
209.08173	9.6
210.08492	1.4
219.06587	12.9
220.07201	1.1
221.04500	1.2
221.08107	7.5
223.06082	27.9
223.09535	1.4
224.06789	10.9
225.07581	6.0
230.02119	1.3
233.08122	3.0
236.06796	1.8
237.07635	16.0
238.08389	16.3
239.08791	1.6
248.06693	1.2
249.07666	13.3
250.08165	1.3
251.09174	3.2
251.12851	1.4
253.07318	0.9
258.01721	2.1
261.07690	3.5
263.09164	1.8
265.07230	3.9
266.07938	20.0
267.08719	55.2
268.09088	2.8
279.08685	2.2
286.01257	2.1
287.01962	1.8
291.08685	4.5
296.09271	0.9
297.09708	4.4
300.02649	2.2
301.03488	3.4
315.01346	1.2
327.21439	0.9
329.03082	4.8
330.03830	2.1
339.10428	0.8
343.11789	0.8
344.05252	2.2
345.05917	5.2
345.08463	7.1
354.58524	0.8
369.11899	5.4
385.11356	2.7
386.12027	7.6
387.12979	6.2
399.12732	3.6
411.12939	2.1
413.14468	2.2
429.13995	100.0
430.14252	9.2
441.14032	1.0
459.15189	4.6
505.10651	0.8
505.19604	1.5
549.18341	16.4
549.26697	4.5
550.18213	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41407	5.2
55.01744	5.0
57.03324	19.9
59.01254	100.0
59.87479	5.3
69.03306	6.5
69.30861	39.3
69.31262	12.8
71.01259	48.0
72.99183	7.9
73.02838	11.7
75.00742	23.0
78.95750	5.8
83.01244	8.1
85.02823	37.5
87.00739	12.4
89.02303	25.0
95.01272	10.1
99.00749	12.2
100.46581	4.9
100.56489	5.6
101.02322	31.2
109.02852	11.0
111.00759	9.2
113.02340	24.3
121.02799	13.7
124.01529	5.0
125.02348	40.5
129.01836	7.8
131.03441	6.3
135.04457	5.3
137.02350	19.4
149.02301	9.8
150.03120	11.7
151.00168	7.3
151.07518	6.9
159.04396	5.2
161.02367	6.1
161.04459	8.2
161.91496	4.6
163.03874	6.3
165.01799	5.5
169.01337	15.8
187.03900	13.2
188.04691	8.3
191.01831	8.7
191.05534	60.7
195.06570	17.9
205.05142	5.8
211.07614	5.0
213.05380	5.0
216.04260	6.8
219.06609	5.6
223.09618	8.4
239.07207	5.1
241.04845	6.0
253.05074	5.1
255.06619	21.4
257.08151	14.8
271.02841	6.7
271.06100	24.8
285.07480	7.1
286.08356	24.8
300.02786	12.1
301.07416	4.2
301.10797	89.6
302.11145	6.9
315.04791	6.6
330.07309	8.5
345.09689	10.4
357.11844	8.0
445.11295	11.5
489.10715	7.5
505.09741	8.0
505.26453	13.8
549.12152	18.4
549.25153	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77254	6.9
59.01258	67.8
70.02154	6.8
71.01245	32.4
71.60201	14.1
75.00742	10.4
83.01265	7.3
85.02368	8.3
85.02808	38.8
87.00716	10.0
89.02309	20.2
90.41436	6.4
99.00727	8.9
101.02328	10.2
109.02865	7.7
113.02294	17.2
119.04932	7.6
125.02340	29.6
137.02351	13.6
150.03084	8.8
161.02344	11.9
166.61871	7.4
169.01308	10.4
191.03970	6.2
191.05540	36.5
195.06541	14.2
213.44255	6.6
223.04448	6.9
255.06624	22.6
269.04471	7.8
271.06097	29.1
286.08432	23.9
301.10806	100.0
302.11047	9.0
327.98553	9.9
486.05475	7.0
549.25073	16.2
570.31555	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	549.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66992	2.0
56.90687	2.1
57.03345	3.1
59.00254	2.0
59.01252	16.9
67.46603	2.1
69.34412	12.3
69.34839	10.0
71.01268	6.5
75.00743	3.2
85.02814	6.5
86.12136	1.8
89.02332	2.9
98.20325	9.9
101.02308	2.4
108.02104	3.1
109.02837	5.1
112.42554	2.3
113.02354	3.7
120.35083	2.2
121.02862	5.7
125.02346	19.4
135.04559	2.6
137.02342	11.0
145.02815	4.9
149.02379	6.6
150.03130	7.5
151.03990	3.9
163.00237	3.8
163.03955	3.4
169.01315	3.8
169.44130	2.1
211.07561	3.1
227.07144	3.6
241.04791	2.5
249.11334	3.3
254.05774	2.9
255.06595	27.1
256.03729	7.4
256.06955	2.8
262.11960	2.7
269.08206	2.6
271.06146	34.5
286.08463	29.8
289.07034	5.4
301.10794	100.0
302.11096	12.5
312.21973	2.2
334.76169	2.8
387.14407	2.4
398.06958	2.5
549.26373	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	549.0885
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
57.03323	1.4
59.01239	2.2
70.01783	8.0
71.01249	2.2
72.99184	1.5
85.02827	2.4
98.19740	1.3
107.01273	3.0
108.02071	1.4
109.02867	1.6
113.02317	2.5
119.59172	1.3
151.00270	10.3
163.00253	2.6
178.99831	4.2
211.03792	2.1
227.03345	2.3
243.02953	11.3
244.03835	1.6
245.04379	1.9
254.02095	2.3
255.02962	31.3
256.03073	2.4
271.02481	60.4
271.51855	1.6
272.02899	5.1
279.13257	1.4
299.02023	2.2
300.02725	100.0
301.03445	44.3
302.03708	2.8
342.21567	1.5
344.46518	1.7
378.51715	1.7
458.50827	1.6
463.08578	4.8
505.09891	61.6
506.10080	10.5
548.24500	1.7
549.22424	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	549.104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.3
63.19655	0.2
65.26624	0.2
70.97445	0.5
71.01274	0.2
77.03833	1.5
77.80802	0.2
78.95773	0.5
89.02319	0.2
90.53559	0.2
93.03343	0.4
121.02846	100.0
122.03180	3.3
128.67793	0.2
137.02383	0.3
146.13391	0.2
147.04449	0.4
165.01846	55.4
166.02194	2.3
171.00392	0.2
178.99455	0.2
180.05721	0.7
181.06511	2.2
193.95576	0.2
197.06030	2.1
207.04431	0.7
207.08112	0.4
223.03983	0.4
225.05534	1.4
237.30087	0.2
256.08881	0.3
257.09613	0.6
313.07196	1.8
313.17810	0.8
329.08063	0.2
357.06049	1.1
373.10623	0.3
383.07553	0.7
417.09872	2.4
418.10040	0.3
492.06259	0.3
505.11459	1.4
506.11755	0.3
549.10382	19.7
550.10846	3.1
573.25903	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57019	2.7
59.01250	81.3
60.01583	3.1
70.90664	7.4
71.01257	22.1
85.02826	9.2
87.00740	2.4
88.03925	20.5
89.02333	5.9
90.17786	2.5
90.71026	2.4
99.00762	3.2
108.04418	8.8
113.02333	4.8
114.01861	3.1
115.00264	20.8
125.02318	5.3
132.02930	60.9
132.03915	2.4
145.06598	2.5
147.08029	6.7
149.05988	71.7
175.10579	2.4
176.87285	2.4
178.12267	10.3
179.10759	12.3
181.12257	20.5
191.05644	2.9
195.08971	3.6
208.05630	2.7
209.08139	84.4
211.21986	2.9
232.13359	8.3
250.14476	16.7
276.12427	3.9
294.10080	5.3
294.13474	100.0
295.13901	8.3
309.17050	2.8
329.57376	2.8
338.12473	17.1
364.27795	2.8
364.33008	2.7
445.20615	16.2
489.19846	6.6
505.26297	21.1
530.20648	4.3
548.21234	61.5
548.28302	6.1
549.21948	19.2
549.29022	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	549.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	2.9
59.01255	15.6
60.15652	1.5
66.81100	1.4
69.70879	8.9
71.01259	10.2
73.02825	1.7
83.01270	3.0
85.02837	10.8
87.00742	4.1
89.02320	5.4
95.01208	1.5
99.00782	1.9
101.02317	4.8
107.01274	3.1
108.02023	1.9
109.02840	4.3
113.02328	4.5
121.02835	5.3
125.02333	3.1
129.01840	2.8
145.98889	1.6
149.02357	2.4
151.00264	18.2
161.04399	1.7
163.00230	2.5
169.01270	2.6
178.99768	4.9
179.05486	1.6
187.03876	2.0
189.01888	1.5
191.05640	1.4
195.06503	1.6
199.03989	1.5
215.03354	1.6
218.43665	1.7
221.08212	2.5
225.04037	1.5
227.03441	4.9
243.03024	10.7
243.44206	1.5
245.04643	2.0
254.02148	2.1
255.02968	36.0
255.05435	3.3
256.03323	2.7
263.09259	1.7
271.02475	74.0
272.02881	5.9
283.02325	2.2
299.01953	2.5
300.02756	100.0
301.03513	53.6
302.03909	3.9
387.14438	2.3
387.19846	2.8
429.14017	4.5
432.21841	1.5
445.07880	4.2
463.09067	1.9
491.53891	1.7
505.09903	60.8
506.10431	7.9
549.18280	4.3
549.27454	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	547.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.4
57.03318	2.1
58.00473	0.6
59.01255	100.0
60.01594	0.9
61.98705	0.8
63.33389	0.3
67.01747	0.4
67.93742	0.2
69.03333	0.4
71.01259	21.6
71.60748	0.4
72.01611	0.5
72.99192	1.3
73.02824	4.3
75.00752	3.5
77.11998	0.3
83.01257	3.2
85.02830	12.7
87.00766	1.7
88.70997	0.3
89.02319	4.2
93.03362	0.5
95.01260	2.5
96.95930	0.4
97.02859	0.8
99.00767	3.1
101.02328	11.4
101.03001	0.6
101.27030	0.3
102.02702	0.4
109.02861	0.9
111.00785	1.1
113.02338	14.0
114.02791	0.4
115.00362	0.3
119.03414	1.3
119.04982	0.5
121.10161	0.8
123.04405	0.9
124.01548	0.3
125.02359	3.8
129.01862	0.4
130.42216	0.3
131.03398	0.5
135.04471	0.8
137.02390	1.1
141.01843	0.3
143.03419	2.1
143.10710	0.4
145.02893	0.3
149.13260	0.3
151.00273	0.4
151.03870	0.3
157.12292	0.6
159.02939	1.1
161.04472	6.8
162.04765	0.5
163.03970	0.3
165.01918	0.5
167.03448	0.9
169.01367	1.1
177.01926	1.0
179.03485	0.4
179.05537	0.5
185.15463	0.3
187.03770	0.3
189.01907	1.4
192.82466	0.3
205.03464	0.3
209.03151	0.4
217.01288	1.3
233.08234	0.8
269.04559	0.5
283.80713	0.3
295.26642	0.4
302.63712	0.3
313.05817	0.5
313.27426	0.3
315.12390	0.4
319.17822	0.3
325.27698	0.6
329.19855	0.9
341.06693	2.3
343.28500	2.2
344.29138	0.4
347.20789	1.0
385.13065	0.8
457.32053	0.3
469.31900	0.6
487.32813	22.7
488.33273	3.5
505.33856	14.8
506.34247	2.1
508.59421	0.3
547.15222	1.0
547.23901	6.4
547.32214	0.5
548.25049	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.7
57.03329	1.4
59.01252	100.0
60.01597	0.9
60.97617	0.4
61.01673	0.8
69.03329	0.5
69.28630	2.0
69.29055	3.0
71.01255	15.0
71.04900	0.6
72.99168	0.9
73.02818	4.0
75.00772	0.3
83.01254	2.6
85.02819	9.4
87.00770	0.9
89.02325	2.6
95.01288	1.4
96.95901	0.9
97.02850	1.9
98.19782	0.7
99.00780	2.8
101.02321	8.9
111.00775	0.8
112.01625	0.5
113.02332	9.6
115.03910	0.6
119.03407	1.3
124.01514	0.5
125.02367	2.1
134.40219	0.4
143.03409	3.4
149.13350	1.1
157.12283	1.3
159.02972	0.8
161.04457	4.5
162.89299	1.0
170.83907	0.4
179.05585	0.5
180.19971	0.4
240.77763	0.4
316.00488	0.5
325.27689	0.8
343.28568	3.4
385.29733	1.0
413.29166	0.6
457.31601	0.5
469.31943	0.7
487.32739	19.6
488.32925	3.0
505.33737	13.7
506.34659	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91842	3.0
57.03320	4.5
57.30512	3.3
59.01254	49.9
61.98703	16.9
71.01266	15.9
72.99183	4.4
78.95773	7.6
85.02834	30.9
87.92615	3.4
89.02294	8.0
98.44327	3.0
99.00736	4.1
100.90239	3.0
101.02328	14.9
113.02330	11.1
116.38398	3.5
119.03406	5.2
125.02354	6.6
137.02313	5.7
152.99510	5.1
161.04427	6.8
165.80089	4.1
174.77963	3.5
191.01860	7.9
197.11720	5.6
209.11679	5.2
211.13388	16.6
217.01231	8.0
253.09196	33.4
276.31934	3.1
281.35727	3.4
293.21155	8.3
311.22281	100.0
311.25827	6.1
312.22699	9.1
421.80154	3.2
487.32578	8.9
547.27197	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	547.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	5.5
57.03316	6.1
58.00467	3.8
59.01252	79.1
61.18212	1.3
69.03342	1.7
69.64598	9.0
71.01256	100.0
72.99191	4.1
73.02831	21.8
75.00742	2.0
79.00154	1.2
83.01267	10.6
85.02826	42.5
85.99971	1.4
87.00762	10.3
89.02317	59.0
95.01266	6.0
95.04919	1.8
97.02853	6.2
98.20616	2.4
99.00743	8.7
101.02328	59.0
101.03014	2.9
102.02647	1.5
104.90368	1.3
108.02051	4.3
109.02837	2.5
111.00749	2.9
111.63424	1.2
113.02332	46.2
113.06004	1.8
114.02731	1.5
115.00295	1.4
116.01542	1.5
117.05364	1.4
119.03397	22.0
123.08047	2.2
125.02330	5.2
129.01813	3.4
131.03421	10.5
132.15622	1.3
135.66830	1.4
136.05237	1.5
138.06747	8.6
139.07594	6.5
143.03432	10.3
149.04488	3.1
151.07549	10.5
152.01047	10.7
152.08344	19.5
153.09128	45.6
154.09477	2.3
159.02910	6.1
161.04469	46.8
161.05821	2.4
161.09621	4.2
162.25356	1.2
163.11226	2.7
167.65501	1.2
169.01294	2.2
179.05528	33.6
179.10677	1.7
190.09888	1.8
191.01920	3.3
205.03456	3.1
205.12296	46.7
206.12592	3.9
221.06616	34.3
222.06964	2.0
223.04515	2.5
223.13379	31.0
224.13718	2.1
244.94095	1.3
260.20810	1.2
263.07718	11.4
298.08224	1.3
385.18710	68.1
386.19067	8.1
429.10358	2.7
547.16528	7.3
547.24023	56.2
548.24463	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	547.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43038	0.5
53.77838	0.4
55.01748	1.9
57.03322	6.1
58.00467	1.1
59.01252	25.2
60.33326	0.5
67.01751	0.7
68.99680	1.0
69.03338	0.7
69.63766	0.4
69.83181	2.2
69.83586	1.0
71.01255	31.1
72.99185	5.7
73.02821	3.3
75.00746	31.1
77.19453	0.5
83.01255	5.1
84.02016	0.8
85.02826	39.8
86.03160	0.8
87.00748	8.7
89.02322	7.8
95.01247	3.0
97.02836	1.8
99.00759	9.8
101.02321	8.0
103.00237	1.4
108.02082	0.5
111.00771	5.3
113.02334	28.2
114.02641	1.0
115.00271	3.6
116.00988	0.7
117.01814	1.8
119.03382	1.7
121.02814	0.5
125.02320	0.5
129.01830	3.3
129.03630	0.5
131.03395	4.2
139.00308	0.7
149.04445	0.8
157.01312	1.5
159.02937	0.5
161.04469	1.6
173.04483	6.7
175.02400	5.9
179.05482	1.4
191.01857	0.6
191.05505	1.8
193.03439	1.7
204.11702	0.5
205.03462	3.6
215.05510	0.6
221.06636	1.1
223.04559	19.6
228.89299	0.5
233.06480	0.7
235.04535	1.4
267.07211	1.6
268.07663	0.5
269.07828	0.5
337.07541	0.8
385.07840	0.6
495.68466	0.6
547.23993	100.0
548.24371	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	547.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85751	1.2
53.15842	1.2
57.03305	3.5
59.01251	95.6
60.01589	2.5
67.01760	4.1
67.05404	2.5
68.99693	6.0
69.03311	1.9
71.01252	22.7
71.57499	2.3
72.99165	2.7
73.02818	4.4
75.00745	2.8
75.83004	1.3
83.01254	19.7
84.87062	1.5
85.02821	24.5
87.00764	6.1
88.98680	2.5
89.02316	8.7
90.02670	1.6
91.03912	1.6
91.37244	1.3
93.03330	1.4
95.01283	3.3
96.95914	3.8
97.02849	1.6
99.00767	3.9
101.02322	4.9
102.22716	1.3
111.00782	4.1
112.01524	1.6
113.02316	19.8
119.03384	1.9
121.02837	8.1
122.03634	4.5
123.04420	5.9
124.05269	2.2
125.02358	5.4
129.01846	1.5
131.03410	1.5
133.10133	2.6
135.11678	15.6
136.01506	1.4
137.02368	2.6
137.05952	3.1
139.00256	3.8
149.02333	1.7
161.04523	2.0
161.05946	2.3
163.07555	2.0
163.64331	1.7
167.03494	2.1
169.04919	1.5
179.10692	93.6
180.11050	3.5
188.85002	1.6
189.03929	2.1
205.07207	2.4
206.05713	1.9
207.06525	3.3
221.08099	2.6
222.30553	1.5
223.09644	2.2
231.05083	3.1
244.03009	1.6
249.06012	2.9
263.07730	29.5
269.04608	2.4
273.51843	1.5
281.08771	14.3
343.11862	57.8
344.12277	5.3
410.71875	1.6
411.16647	3.3
443.19186	100.0
444.19592	12.9
455.15366	1.8
487.18048	23.1
487.24438	2.2
488.18561	2.7
505.19168	2.3
505.25754	2.8
515.17462	2.0
531.32410	1.6
547.19885	34.4
547.28290	8.1
548.20819	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	547.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.5
56.78336	0.5
57.03325	1.5
59.01250	63.5
61.98709	0.7
69.03315	1.0
71.01254	24.6
71.57912	0.7
72.99178	0.8
73.02819	19.7
74.03139	0.5
78.95764	0.7
83.01257	7.2
85.02826	4.9
87.00748	1.0
89.02314	7.5
95.01260	1.6
96.95872	1.2
99.00765	1.2
101.02324	24.2
102.02608	0.6
108.42943	0.5
109.86034	0.4
112.07468	0.5
113.02324	13.0
117.57829	0.5
119.03381	2.7
120.27544	0.4
121.02863	1.3
121.10150	0.6
125.02335	2.2
129.31908	0.5
131.03392	2.1
131.51060	0.5
135.04349	0.5
137.02386	0.5
143.03448	2.2
147.04404	1.9
148.05202	100.0
149.04436	3.1
149.05563	3.2
152.99541	0.8
155.03401	0.6
159.02881	0.5
161.04448	7.6
163.07556	53.6
164.04738	0.8
164.07916	2.3
178.06285	0.8
179.05582	0.9
179.07071	2.8
185.15338	0.5
193.08675	0.6
221.15359	0.5
253.09291	1.9
254.09558	1.1
255.09813	0.5
291.19614	0.7
292.19995	0.9
293.20547	0.7
309.20685	2.5
310.21024	4.0
311.21390	2.2
323.11240	1.0
341.12390	1.6
343.28897	0.6
347.20767	0.8
368.02295	0.5
465.22827	0.7
487.19772	1.3
487.32541	5.8
505.33752	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	547.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09510	0.2
50.86073	0.2
55.01761	1.4
55.40330	0.2
57.03322	5.5
58.00455	0.8
59.01248	11.8
67.01765	0.4
68.99679	0.6
69.03317	0.7
69.57261	0.4
69.57670	1.2
71.01250	24.7
71.23705	0.2
72.01571	0.4
72.99177	4.8
73.02813	3.8
73.03473	0.2
75.00743	25.8
83.01252	3.4
84.02039	0.5
85.02819	30.4
85.99977	0.4
86.03159	0.6
87.00744	7.0
89.02314	3.6
93.03342	0.2
95.01256	3.4
96.95898	1.7
97.02808	1.0
98.95477	0.5
99.00753	8.8
100.01097	0.4
101.02319	6.7
103.00251	0.6
111.00759	0.9
112.01549	0.7
113.02325	27.2
114.02641	0.7
115.00251	2.5
116.01002	0.4
117.01820	1.7
119.03412	0.3
123.08052	0.3
125.02335	1.0
129.01807	1.1
131.03346	0.5
133.01352	0.3
137.09637	0.6
143.03406	0.5
157.01314	0.7
159.02869	0.4
159.28232	0.2
161.04443	1.7
165.12852	0.3
173.04424	0.4
175.02406	3.1
175.03772	0.4
191.05698	0.2
193.03215	0.2
194.61461	0.2
204.67390	0.2
209.15402	2.3
219.04915	0.2
235.86319	0.3
299.11896	0.2
371.20645	1.4
429.21310	0.5
476.99670	0.2
485.22446	0.2
487.21616	0.4
547.23926	100.0
548.24249	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	547.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	0.5
57.03323	6.8
59.01254	5.6
61.98717	1.1
65.00211	0.7
69.76986	3.7
71.01254	3.4
72.99223	0.5
73.02834	0.9
74.51305	0.6
75.00745	1.7
80.75904	0.5
81.03330	5.6
83.01257	15.2
83.83728	0.6
85.02834	4.3
87.00748	1.3
89.02356	1.3
95.01290	1.6
95.04904	0.8
96.95908	0.9
98.20012	1.3
98.20566	0.7
101.02358	1.7
107.01267	2.0
108.02071	0.6
109.02885	1.0
111.00784	0.9
111.04397	0.7
113.02325	2.0
115.00282	1.1
119.04973	1.3
123.00799	1.2
123.04411	37.0
124.01514	0.6
124.04771	1.3
125.02342	83.9
126.02695	3.8
135.04439	1.8
136.99609	0.7
137.02357	2.0
140.01033	0.8
140.05771	0.6
149.02333	2.5
151.00282	5.4
151.03836	0.6
152.00952	0.5
161.02371	1.3
163.03912	0.7
165.01823	0.7
166.02617	6.2
167.03416	100.0
168.03778	4.3
169.01331	5.0
170.13232	0.6
175.02472	1.2
175.03879	1.3
175.07637	1.2
176.04741	4.2
179.01891	0.8
179.03423	9.0
187.04066	0.6
187.07576	1.7
191.03424	4.3
193.01279	0.6
199.03870	0.6
201.05519	0.6
203.03430	2.1
204.04201	1.6
205.08670	4.1
217.01552	0.7
219.94420	0.8
230.05833	0.7
233.08133	4.8
241.08684	1.6
248.15718	0.6
255.10219	0.7
259.09732	1.9
271.02542	0.8
285.03799	1.0
288.06424	2.9
289.07004	0.9
297.11508	2.0
299.12878	1.1
313.05731	5.1
323.12766	0.8
325.11694	0.8
341.13983	1.1
342.03821	1.3
343.04608	1.3
367.11813	5.8
385.12943	58.0
386.13412	7.4
409.12943	1.4
423.21185	0.8
547.14825	4.1
547.24506	1.9
548.14630	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.3
55.75297	0.3
57.03312	1.1
58.00487	0.3
59.01250	9.4
59.57910	0.3
61.98697	0.4
64.83870	0.2
65.00188	1.2
69.03319	0.3
69.46899	2.2
71.00893	0.5
71.01256	6.4
72.01573	0.3
72.99200	0.5
73.02821	1.4
75.00751	0.9
81.03333	6.9
83.01254	1.7
85.02842	2.7
86.03146	0.3
87.00734	0.8
89.02319	6.3
93.03319	0.3
95.01264	1.0
95.04884	0.4
97.02824	0.5
99.00771	1.5
99.08039	1.8
101.02325	4.7
101.05953	0.8
102.02663	0.2
107.01254	0.5
109.02854	0.7
111.08018	0.8
112.08375	0.4
113.02345	2.9
119.03358	1.0
121.02853	0.6
122.03550	0.4
123.00732	0.4
123.04424	0.3
123.08064	3.5
124.01533	0.4
125.02348	7.6
125.05143	0.4
125.05975	5.3
127.07548	0.3
131.03383	1.1
133.02859	0.6
134.03610	1.1
135.04413	1.0
136.05215	0.8
137.02332	0.8
139.03850	0.4
141.09137	0.8
143.03427	0.6
147.08064	0.4
149.01350	0.3
149.02426	1.5
149.04457	3.6
149.05733	0.4
149.45451	0.3
150.03117	0.4
151.00261	0.9
152.01067	0.9
153.09189	0.3
160.01596	1.6
161.02373	1.8
161.04463	1.3
163.48486	0.3
165.01846	0.6
165.09131	32.7
166.09462	1.9
167.07024	0.3
175.00308	0.5
175.03876	1.5
177.01797	0.4
177.08948	0.3
179.03427	0.7
179.05513	0.5
179.06947	0.5
179.10674	0.3
181.12355	0.3
189.01866	1.1
191.01804	0.4
191.05470	0.6
191.07057	1.1
193.04994	0.9
193.08662	0.5
196.18636	0.2
197.11758	3.1
198.12161	2.4
199.12234	0.5
205.08623	0.8
209.08141	100.0
210.08475	5.9
211.13231	0.4
212.95567	0.3
215.07118	0.8
217.01384	2.4
221.08073	0.5
223.09721	2.7
233.08153	20.5
234.08531	1.2
235.94766	0.3
239.57761	0.3
251.09244	7.8
252.09602	0.5
253.09219	2.6
254.09680	1.3
255.09709	1.0
263.09262	1.9
275.09262	1.2
288.06357	0.4
291.19678	0.9
292.20029	0.9
293.20416	0.5
295.08170	0.7
309.20712	2.3
310.21082	3.5
311.21765	3.0
323.07758	1.9
327.05130	0.9
337.09302	0.8
353.12436	0.6
487.25421	0.7
487.32941	0.8
529.17242	0.6
529.26373	0.3
546.29938	0.9
547.18250	9.2
547.30078	1.0
548.18195	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	5.2
59.01252	37.5
61.98709	1.9
70.79288	2.8
70.79668	4.8
71.01260	20.2
72.05465	1.6
72.99203	2.3
73.02815	3.1
75.00037	1.4
75.00757	15.1
83.01263	4.4
85.02822	23.3
87.00745	6.9
89.02319	5.6
95.01263	2.5
97.02821	1.7
98.20355	1.7
99.00747	6.3
101.02308	7.3
103.00260	1.7
113.02337	21.6
122.03615	1.9
123.00769	4.9
123.04399	5.8
125.02361	11.7
133.02774	1.9
135.04428	1.5
137.02318	3.5
145.02757	4.2
151.00356	1.7
161.04489	2.5
163.00262	1.8
167.03406	11.1
169.01323	2.5
175.02367	2.2
189.01933	2.5
209.08206	2.1
213.05542	2.6
225.05516	2.2
241.04997	6.0
268.03726	4.2
269.04556	74.7
270.04895	6.4
270.45602	1.6
283.06039	6.6
284.06918	61.2
285.07208	4.2
297.03745	2.4
299.09256	100.0
300.09665	8.5
311.01898	4.4
360.07013	2.4
371.04092	3.2
385.12762	7.1
450.11505	3.4
503.15582	3.9
547.23993	40.4
548.24146	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	547.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73880	0.6
57.03340	0.9
59.01253	5.0
61.98703	0.7
63.02274	0.9
67.01778	1.1
69.03328	0.7
71.01257	7.1
72.99167	0.8
73.02819	1.1
75.00739	0.7
79.01776	0.8
81.03336	1.4
83.01257	1.6
84.87405	0.5
85.02842	3.8
87.00736	0.8
89.02322	1.4
95.01258	1.4
96.95901	2.1
97.02855	1.6
98.19817	1.3
99.00732	0.7
101.02314	2.9
102.98304	0.6
107.01273	12.0
109.02840	1.4
111.00754	1.3
113.02351	2.6
123.00778	12.0
123.04412	1.0
124.01577	1.4
125.02347	70.8
126.02679	2.3
127.00300	0.7
127.57010	0.6
132.10161	0.7
136.98749	1.2
137.02357	1.1
139.00270	3.7
140.01062	2.4
141.01846	1.2
151.00285	9.4
151.03915	0.7
153.01843	0.9
161.04596	0.8
167.03435	2.0
168.00542	3.7
169.01347	100.0
170.01779	3.1
173.64244	0.6
176.04713	0.8
177.01852	1.8
177.05476	0.6
189.01881	4.9
190.02632	1.3
191.03424	1.2
192.71799	0.6
199.09807	0.8
203.03455	12.7
204.04208	19.5
205.04846	1.1
209.02882	0.8
211.02446	3.3
216.00658	1.2
217.01341	2.4
218.05807	1.3
219.02789	0.8
223.02559	0.8
233.08163	92.4
234.08510	6.9
241.03531	2.2
253.03462	0.9
275.09122	0.7
313.05661	95.7
314.05994	6.6
341.06699	9.6
360.06909	0.7
398.66299	0.6
403.53195	0.6
467.70026	0.7
547.14594	99.1
548.14941	14.5
552.53015	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.1
57.03332	1.3
59.01252	100.0
60.01585	0.9
61.98702	0.8
65.00187	0.3
69.03341	0.5
71.01256	17.1
71.59510	0.3
71.59885	0.3
72.99184	1.5
73.02825	4.2
75.00723	0.7
83.01254	3.4
85.02827	10.1
85.06481	0.3
85.99988	0.5
87.00734	1.3
89.02330	3.6
95.01255	1.9
96.95935	0.5
97.02834	1.1
97.06491	0.9
98.13287	0.3
99.00762	2.7
101.02325	9.6
107.01288	0.5
109.02828	0.4
111.00803	0.9
113.02335	10.6
114.02769	0.3
119.02666	0.3
119.03432	1.1
120.64594	0.3
121.02850	0.4
121.10140	0.4
125.02360	3.1
129.01828	0.3
131.03426	0.2
135.04463	0.4
137.02368	1.2
143.03416	1.6
151.00269	1.6
159.02954	1.0
161.04471	4.6
163.00250	0.3
164.01128	0.4
165.01852	0.4
178.99861	0.3
179.03444	0.4
179.05615	0.3
192.72357	0.3
197.15347	0.4
205.03378	0.4
209.11775	0.4
213.18513	0.4
225.18544	0.3
253.09361	0.4
271.02838	0.3
271.06216	0.4
281.24844	0.4
291.19797	0.6
300.03162	0.4
301.03516	0.5
305.25073	0.8
309.20676	2.0
311.25970	0.4
323.25934	0.4
341.26932	3.0
342.27356	0.4
369.09720	4.9
369.14133	0.3
370.10291	1.0
395.24420	0.4
413.25140	0.6
425.29086	0.6
437.29578	0.4
449.28900	1.9
455.30252	0.5
467.30212	2.7
468.30359	0.3
485.31213	12.5
486.31375	1.8
503.32236	15.0
504.32703	2.2
538.16992	0.3
540.34344	0.3
545.16040	0.4
545.25867	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88308	0.6
55.01758	1.3
56.62823	0.7
57.03328	2.3
58.00478	0.9
59.01254	100.0
60.01577	1.4
61.10126	0.9
61.98706	9.3
63.39327	0.6
69.03347	1.1
71.01259	20.9
71.04886	1.0
71.15341	1.7
72.99197	2.1
73.02824	4.4
75.00755	2.2
78.53809	0.6
80.34829	0.6
83.01273	4.8
83.04884	0.6
85.02827	11.6
85.06445	0.9
87.00771	2.4
89.02325	6.9
95.01281	2.1
95.04939	0.9
96.95904	2.3
97.02826	0.9
97.06465	2.0
99.00752	3.6
101.02325	14.4
106.54693	0.7
113.02338	9.4
115.03918	1.0
119.03404	1.9
125.02353	5.0
125.09603	1.4
126.45976	0.7
137.02385	1.0
137.09666	0.7
143.03403	3.4
151.04015	0.7
159.02924	1.1
161.04501	4.4
171.10175	6.1
175.03769	0.8
175.97467	0.7
185.11780	1.6
189.01698	0.6
195.13853	1.0
197.11856	1.1
211.13326	12.6
213.18610	1.5
221.15407	1.0
223.16986	1.2
225.18576	1.0
233.15430	1.0
251.12770	0.8
251.16562	5.5
253.09256	10.0
281.25031	1.9
291.19647	17.4
291.22632	1.1
292.20111	2.4
293.24780	0.9
305.24905	1.3
309.20700	13.9
310.21194	1.0
341.26917	6.2
425.29443	0.8
449.29358	2.5
467.30249	2.1
485.31241	15.1
486.31830	1.9
503.32312	14.8
503.39264	1.2
504.32794	2.1
509.35913	0.7
545.26788	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	547.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32993	0.6
55.74364	0.5
59.01252	100.0
60.01567	0.8
70.15530	2.4
71.01266	0.9
80.13502	0.6
85.02866	0.9
96.95898	0.9
98.95489	0.8
99.00790	0.6
101.02332	0.6
113.02331	0.7
125.02364	0.9
133.02812	0.8
137.02347	0.6
143.36713	0.6
211.07689	0.7
213.05505	0.7
240.04283	0.8
254.05858	4.3
255.06618	4.6
268.03900	0.9
283.06100	21.9
284.06531	1.6
450.37717	0.7
455.26660	0.9
473.27777	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83064	0.7
55.01759	1.3
57.03320	3.4
59.01252	43.1
61.66101	0.7
61.98705	11.2
66.32763	0.8
69.03329	1.8
70.72839	3.0
71.01255	15.8
71.01615	1.4
71.04904	2.2
72.99196	1.2
73.02828	2.9
75.00732	1.3
83.01265	2.3
83.04919	2.3
85.02821	5.2
87.00768	1.9
89.02319	10.5
92.67625	0.7
95.01286	1.2
96.95884	4.7
97.02831	1.5
97.06456	2.1
99.00767	1.7
101.02319	12.7
109.06483	2.3
111.04370	1.3
111.08061	5.5
113.02318	9.9
119.03384	2.5
121.10098	1.1
125.02331	2.5
125.09623	1.0
127.07520	1.3
129.01747	1.1
131.03430	1.0
135.08121	0.8
136.16870	0.7
137.02339	1.5
143.03397	1.8
153.12666	0.8
161.04472	6.5
164.33299	0.8
167.10689	1.1
169.12279	1.4
171.10162	5.2
179.05528	2.8
179.14174	1.4
181.12361	1.2
183.13965	1.0
185.11769	1.4
195.13869	10.0
197.11763	18.8
198.12073	1.1
199.13307	1.5
205.12302	1.1
211.13324	12.2
221.15434	7.0
223.13428	3.7
233.15536	1.1
235.16916	0.8
239.16512	1.8
247.20639	1.6
251.12709	0.8
251.16547	3.4
253.09282	44.7
254.09662	1.8
263.20169	1.4
273.18726	2.1
291.19669	39.0
292.19965	3.8
309.20709	100.0
310.21054	8.9
316.42050	1.0
485.31192	4.7
503.32156	2.8
541.39453	0.9
545.26654	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79442	4.8
59.01253	59.1
61.98664	6.5
63.15929	6.2
71.01257	16.6
71.58982	7.9
72.57379	5.4
78.95792	14.5
82.44061	4.5
85.02829	15.3
89.02334	13.0
96.25446	5.1
96.95899	22.5
101.02324	13.5
104.81415	5.4
111.08040	13.1
136.29529	5.0
136.30783	5.4
138.40703	5.9
152.99484	6.4
161.04530	5.2
197.11742	9.5
204.53011	4.9
209.11865	5.8
253.09302	23.5
262.44781	6.0
291.19672	100.0
292.20117	10.1
309.20642	30.2
315.46841	5.3
340.10022	5.8
355.12228	5.3
447.13870	6.3
545.28754	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	545.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28185	3.3
56.92157	3.2
57.03324	6.3
59.01259	39.8
59.04935	3.3
61.98706	6.9
62.49168	3.0
70.45275	13.9
71.01251	26.8
72.99178	8.6
73.02795	3.7
75.00761	19.9
76.91417	3.8
78.95781	5.9
85.02824	45.3
87.00780	6.3
89.02320	16.1
95.01279	6.9
96.95872	4.2
99.00745	9.9
101.02348	9.0
111.08044	5.8
113.02331	35.4
129.01784	3.6
145.02855	7.5
171.10176	5.5
191.01894	7.8
195.13855	15.9
209.03000	5.9
249.06097	5.4
253.09239	13.0
259.48587	3.6
267.07312	5.0
277.21609	9.4
283.13409	10.3
284.10669	3.5
291.19742	49.6
292.19965	5.0
295.22763	36.5
309.20724	14.3
327.16052	3.7
535.03699	3.8
541.62378	3.4
545.29639	100.0
546.30273	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	545.3329
Annotation	3-O-alpha-Mycarosylerythronolide B
Peak:m/z	Relative Intensity
51.06213	0.9
51.15359	0.8
57.03318	2.3
59.01252	39.4
65.03417	1.1
69.03320	1.1
69.27431	9.0
69.27834	1.8
71.01256	16.1
72.99162	1.8
73.02817	6.6
83.01256	3.2
85.02825	7.4
87.00733	1.9
89.02332	5.2
91.12152	0.8
95.01289	1.5
99.00732	1.3
101.02339	11.6
113.02332	5.3
119.03406	1.6
125.02300	2.2
143.03362	0.9
152.16086	0.9
161.04446	1.9
171.57007	0.9
177.78877	1.0
181.21841	0.9
193.01280	1.4
211.50157	0.9
323.25845	8.9
341.27036	8.3
342.27243	1.1
459.33554	1.8
485.31290	7.8
486.31299	1.3
503.32266	19.5
504.32462	3.2
545.33313	100.0
546.33514	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	545.297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43093	0.6
55.01755	1.0
57.03327	1.5
58.00452	0.9
59.01257	20.6
61.98699	0.8
67.89330	0.6
69.03319	1.3
70.90689	2.1
71.00887	1.3
71.01257	15.5
72.99184	0.7
73.02818	3.7
73.35363	0.8
83.01253	2.0
85.02819	4.4
87.00760	1.3
89.02323	12.1
95.01318	0.7
99.00784	1.1
101.02329	14.8
109.06409	0.8
111.08044	18.7
113.02328	7.9
113.35720	0.7
119.03400	2.6
127.07540	1.1
131.03343	0.8
138.47705	0.8
143.03398	1.3
151.11176	0.8
153.12729	1.3
161.04475	7.6
169.12263	7.2
179.05548	2.0
179.10753	1.1
181.12267	1.7
183.13771	1.0
197.11766	93.4
198.12106	4.5
199.13278	4.8
211.13344	9.7
225.14914	0.7
227.12851	2.0
247.20633	0.8
253.09262	50.6
254.09621	2.3
263.20197	5.2
265.18170	2.4
273.18732	1.3
291.19675	31.7
292.20047	2.3
309.20703	100.0
310.21106	9.6
383.24692	1.5
545.29675	5.8
546.29651	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.3
57.03326	1.7
58.00469	2.2
59.01254	23.1
67.80054	0.7
69.03325	0.9
70.70576	2.8
71.01258	18.3
72.99191	1.3
73.02811	4.6
83.01271	2.0
83.04873	0.8
85.02831	6.2
87.00774	1.8
89.02315	13.2
95.01274	1.0
99.00739	1.9
101.02326	19.2
111.08045	16.4
111.80915	0.8
113.02327	9.3
116.89069	0.9
119.03410	3.5
127.07536	1.3
141.61084	0.8
143.03419	1.8
151.11247	1.2
153.12761	1.4
159.02847	1.1
161.04480	9.3
167.10706	0.8
169.12267	7.7
179.05522	2.3
181.12311	1.7
183.13829	1.6
197.11769	84.3
198.12096	5.1
199.13368	5.0
211.13379	9.0
227.12868	1.4
252.39490	0.8
253.09280	48.1
254.09619	2.3
263.20160	8.5
265.18094	2.2
291.19672	28.9
292.20035	2.7
309.20718	100.0
310.21072	10.2
383.24481	2.2
409.39703	0.8
545.29431	8.4
546.30316	1.7
551.10699	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83459	0.5
54.65281	0.5
55.01791	0.6
57.03329	1.6
58.00470	1.4
58.19464	0.5
59.01250	22.4
61.98688	1.0
69.03336	1.7
70.97853	1.2
70.98183	0.7
71.01254	14.4
72.99199	1.0
73.02833	2.4
81.03352	0.5
81.85879	0.6
83.01254	1.4
83.04903	1.1
85.02834	4.2
87.00760	1.4
89.02315	12.1
93.06988	0.5
96.95898	1.8
97.02828	1.6
99.00751	1.3
101.02324	15.2
104.58308	0.5
109.06470	0.7
111.08042	21.3
113.02321	7.1
119.03399	3.5
124.30926	0.5
125.02292	0.6
127.07529	1.1
143.03423	2.0
151.11122	0.7
153.12755	1.6
161.04492	6.6
169.12227	7.2
179.05527	2.1
179.10788	0.7
181.12283	1.7
183.13907	0.7
193.12224	0.7
197.11766	100.0
198.12111	5.1
199.13342	5.7
211.13345	9.8
227.12857	2.5
235.08319	0.6
247.17091	0.7
247.20604	0.8
253.09253	45.0
254.09537	2.0
263.20227	3.9
265.18051	3.6
273.18625	2.6
291.19666	25.0
292.20059	3.1
309.20697	90.7
310.21066	9.2
375.05316	0.6
485.31076	0.7
545.29541	1.9
545.79413	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.0
57.03324	1.4
58.00468	1.4
59.01250	100.0
60.01585	0.9
68.25313	0.4
69.03326	0.7
69.27446	3.7
71.01252	33.1
72.01571	0.6
72.99184	2.4
73.02818	13.0
75.00740	0.4
83.01259	3.4
83.13988	0.3
85.02821	9.5
87.00760	1.8
89.02315	32.0
95.01259	2.9
96.95890	0.7
97.02837	1.3
99.00759	18.9
101.02318	20.3
102.02663	0.5
109.02835	0.6
111.00787	0.8
112.01521	0.6
113.02324	14.8
119.03387	9.6
125.02340	3.2
127.03868	0.4
131.03412	3.3
135.94452	0.4
137.09624	0.5
143.03374	2.8
149.04462	7.4
155.03476	0.6
159.02959	0.7
161.04477	5.5
161.05968	1.7
162.04753	0.4
165.12770	2.7
179.05533	3.9
185.04536	0.4
191.05533	7.0
191.14384	1.0
192.05891	0.5
203.05539	2.4
209.15364	0.8
233.06551	0.8
261.14981	0.4
286.59512	0.3
297.11325	1.5
305.17334	0.8
314.18604	0.3
353.19556	2.3
371.20709	8.6
372.21017	0.9
413.21790	5.2
414.21951	0.5
485.24011	1.2
503.17310	0.8
503.24954	30.8
504.25482	3.8
545.25995	60.7
546.26331	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	545.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	2.2
57.03325	5.3
58.00455	1.3
59.01249	100.0
60.01583	1.1
66.79964	0.5
69.03332	1.1
69.26994	1.0
69.27393	4.5
71.01252	37.5
72.01596	0.7
72.99184	1.8
73.02817	15.1
75.00743	0.8
76.60762	0.4
81.03344	0.5
83.01258	5.1
85.02818	18.5
85.99976	0.4
86.03206	0.5
87.00768	1.7
89.02319	13.4
95.01269	2.6
96.95883	1.2
97.02831	1.3
99.00750	12.1
101.02318	27.1
102.02673	0.5
109.02856	0.4
111.00784	1.0
112.01556	0.6
113.02329	18.6
114.02720	0.4
117.24164	0.4
119.03394	2.2
121.02878	0.4
125.02330	3.5
129.01843	0.8
131.03429	2.2
136.40611	0.5
137.02298	0.6
137.09621	1.7
143.03410	3.0
149.04468	0.9
149.09631	0.5
159.02901	2.9
161.04462	10.1
191.05502	1.8
209.08151	0.4
209.15390	10.0
210.15627	0.6
263.16534	0.5
305.17493	1.7
353.19675	8.2
354.20270	0.8
371.20709	22.6
372.21027	1.8
413.21774	9.6
414.22076	0.7
425.81915	0.4
485.23758	2.0
503.24966	35.6
504.25360	4.1
545.26025	66.9
546.26385	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	545.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.0
56.14882	0.7
57.03326	6.8
58.00473	2.0
59.01255	32.8
65.14826	0.6
67.01759	1.0
68.99681	2.2
69.03309	3.5
70.43171	0.6
71.01257	45.6
71.03627	0.8
72.99182	23.9
73.02822	9.2
75.00751	40.5
83.01260	5.8
84.02026	0.7
85.02827	53.3
86.03178	0.9
87.00756	13.4
89.01816	1.3
89.02323	14.9
95.01265	8.2
97.02835	7.3
98.20540	2.5
99.00761	14.4
101.02327	11.2
101.05968	2.3
103.00243	11.2
109.02805	0.9
111.00758	2.0
113.02335	62.1
114.02632	1.1
115.00269	2.8
117.01824	3.7
119.03396	1.5
123.04431	0.8
125.02338	1.1
129.01837	3.7
131.03403	9.7
133.01314	2.6
137.09636	3.4
157.01337	3.2
161.04491	1.6
173.04503	5.2
175.02415	11.3
191.05544	1.3
193.03481	86.2
194.03778	2.6
217.03474	2.6
235.04575	40.0
236.04866	1.3
259.58328	0.7
337.07785	42.3
338.08215	3.5
355.08844	17.7
356.08957	1.1
545.22412	100.0
546.22717	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	545.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	2.1
57.03331	7.8
59.00950	2.1
59.01251	43.0
68.99684	3.4
69.03302	5.1
71.01257	55.6
72.99186	27.5
73.02827	9.9
75.00748	57.5
83.01263	9.8
85.02825	64.4
85.03342	3.4
87.00745	10.1
89.02309	17.5
95.01270	9.0
97.02837	9.8
99.00768	13.3
101.02326	15.6
103.00278	8.6
111.00761	2.3
113.02333	71.3
114.02673	2.6
115.00243	3.0
117.01864	3.9
119.03357	2.2
123.00755	2.2
125.02366	4.1
125.05975	4.4
129.01788	4.8
131.03403	10.6
133.01276	2.1
135.02904	14.1
137.02322	2.2
149.02345	2.3
149.04456	2.5
157.01266	3.3
163.02428	2.2
173.04489	7.8
175.02431	9.8
179.05600	2.0
191.05476	1.8
193.03470	90.8
209.08099	1.7
214.38458	2.1
233.08154	5.4
235.04549	35.9
249.07692	3.2
261.07684	10.6
263.09283	2.1
275.09232	3.0
276.06445	2.3
277.07129	7.2
279.08701	2.6
289.07211	14.9
290.08057	1.7
291.08771	3.0
307.08224	3.9
309.09799	2.2
319.08246	2.9
321.09775	2.9
337.07782	33.7
338.08139	3.4
355.08798	14.4
397.11517	4.3
409.11371	25.9
410.11667	4.5
425.10696	2.6
427.12427	9.8
527.14349	2.1
545.15790	3.6
545.22394	100.0
546.22540	16.4
553.85046	1.8
556.94293	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04610	1.4
52.78397	1.1
54.14171	1.1
55.01734	2.4
55.99619	1.1
57.03335	7.7
57.03556	1.1
59.01257	26.1
65.00185	2.0
66.00845	2.1
67.01747	1.5
68.99671	2.9
71.01257	48.7
72.99187	19.5
73.02812	5.3
75.00748	34.1
83.01254	7.2
83.83083	1.3
84.02038	1.6
85.02825	54.7
86.00013	1.3
87.00752	13.8
89.02329	13.5
95.01282	6.7
97.02828	4.9
97.49145	1.2
99.00761	14.4
101.02333	11.4
103.00270	7.7
107.01263	3.2
109.02842	3.4
109.57471	1.3
111.00750	2.7
113.02341	47.2
115.00258	3.0
117.01836	4.1
121.02831	1.4
123.00756	1.5
125.02371	1.6
129.01817	4.6
131.03395	8.2
133.01318	1.6
135.95819	1.3
137.02272	1.3
137.09592	4.5
139.00284	2.7
143.70496	1.4
149.02309	2.3
151.00323	5.9
153.01814	1.5
157.01309	2.9
166.99733	2.7
169.01459	2.0
173.04482	3.9
175.02470	7.9
175.03738	1.5
177.01852	1.8
178.99768	4.7
186.01808	1.5
189.01843	1.7
191.05577	1.6
193.01572	2.7
193.03471	56.2
194.03688	1.3
194.99237	1.7
202.01537	1.7
207.02948	1.9
209.01038	1.6
215.05376	1.4
216.02919	7.4
219.02847	1.4
229.71593	1.3
234.04131	1.3
235.04541	23.9
239.56679	1.4
243.03011	1.4
271.02576	2.6
276.59689	1.4
281.04440	1.3
299.01993	1.5
299.95950	1.4
300.02893	1.8
301.03561	2.8
325.03387	2.7
333.02249	1.5
334.03476	1.7
337.07840	18.4
342.02655	3.0
351.03171	1.7
352.04663	9.1
355.08835	8.2
368.04077	1.7
369.04233	4.1
370.05716	11.1
372.49872	1.4
410.07251	3.9
545.22400	100.0
546.08783	2.4
546.22638	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	545.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83759	1.1
57.03327	8.1
58.00477	1.6
59.01255	100.0
59.93855	1.2
67.01737	2.0
68.74305	1.3
68.99693	1.5
69.03323	3.6
70.59742	1.4
71.01258	48.3
72.99182	14.5
73.02824	6.9
75.00748	40.5
75.01182	1.7
76.68957	1.2
80.96400	1.9
81.03349	1.5
83.01259	3.9
83.04938	1.4
84.02039	2.1
85.02828	50.4
87.00758	17.6
89.02331	16.7
95.01263	8.9
96.95905	5.1
97.02855	3.1
98.20503	2.7
99.00763	21.1
101.02323	10.2
103.00259	7.3
107.65760	1.2
109.02871	2.4
111.00781	2.9
112.01566	1.4
113.02338	62.7
115.00263	4.7
117.01860	4.2
119.03406	2.1
122.03667	1.3
124.01640	1.3
125.02354	7.2
127.03900	1.5
129.01851	3.6
131.03410	3.9
135.04439	1.5
136.06052	1.3
137.02344	2.1
139.00197	2.4
149.05975	3.1
150.03188	1.5
153.05431	1.7
163.07628	1.5
165.05547	2.5
169.01344	2.0
173.04485	4.1
174.30267	1.3
175.02406	6.1
177.01826	3.4
193.03456	10.1
195.06427	1.9
205.07108	5.3
209.08061	3.4
229.79137	1.5
249.06154	15.6
267.07214	78.0
268.07501	3.8
269.40945	1.4
291.07175	17.5
309.08273	38.2
310.08490	1.9
335.06216	25.2
337.08105	1.4
347.15268	2.2
441.13974	1.3
501.16190	50.9
502.16547	7.6
509.97202	1.3
527.17657	1.6
545.14600	2.8
545.23047	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	545.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22247	1.6
55.01763	2.2
57.03318	6.0
57.09731	1.6
59.01250	56.6
68.99679	1.9
69.03339	3.4
71.01253	40.4
71.58793	1.9
72.99165	10.8
73.02821	4.9
75.00750	29.1
83.01265	3.7
85.02823	69.6
86.03156	2.1
87.00729	9.7
89.02307	12.8
93.03344	5.0
95.01260	7.6
97.02806	3.3
99.00745	15.0
101.02338	5.4
103.00256	4.7
107.04889	2.2
111.00756	2.5
112.01460	1.7
113.02334	47.9
115.00237	3.5
117.01826	4.6
117.05467	5.0
125.02339	6.7
126.55132	1.6
129.01817	5.3
131.03363	4.0
135.04431	2.9
137.02365	2.8
139.00253	2.5
147.08055	3.0
149.02380	2.3
150.03065	2.6
151.03882	2.5
157.01326	2.1
165.01869	3.2
165.05533	2.3
169.01334	4.6
173.04562	1.9
173.06024	3.0
175.02382	3.2
188.65063	1.8
191.07069	10.7
193.03413	6.6
195.06390	2.5
205.07069	3.8
207.06647	2.9
209.08212	2.2
231.04994	3.2
235.04376	1.8
246.18892	1.6
249.06059	17.6
267.07217	53.3
268.07504	4.0
291.07166	6.3
309.08319	11.3
335.06244	9.7
423.13382	2.0
441.14035	100.0
442.14377	10.9
501.15909	9.7
545.22937	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	545.0595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91521	0.1
59.01242	0.4
70.33963	0.3
70.34365	0.2
71.01237	0.3
78.95819	0.1
79.95605	2.2
85.02805	0.2
96.95885	100.0
97.95814	0.3
98.20502	0.2
99.00770	0.2
109.02835	0.5
111.96023	0.1
113.02375	0.1
121.78918	0.1
125.02331	0.4
148.05193	0.2
151.00256	0.7
161.02319	0.2
163.07515	0.2
169.01404	0.1
178.99791	0.2
243.03027	0.3
255.02921	0.8
255.06630	0.2
271.02451	1.2
272.02966	0.2
289.07123	0.3
300.02747	3.3
301.03430	2.5
447.09320	4.5
448.09579	0.8
544.25171	0.2
545.25311	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11722	0.5
55.01749	0.5
57.03316	1.4
58.00470	1.0
59.01249	13.3
61.98700	0.6
64.27298	0.6
68.99674	1.7
71.01254	7.5
72.99181	4.7
73.02813	1.1
75.00742	35.4
81.03268	0.6
83.01272	0.7
85.02802	3.6
86.05722	0.6
86.72401	0.6
87.00758	2.3
88.98666	0.7
89.02316	8.1
95.01217	0.7
95.25227	0.6
96.95867	1.5
99.00764	1.4
101.02332	3.0
107.01225	0.6
108.02048	1.1
109.02821	1.0
111.00748	0.6
113.02339	4.1
117.01827	2.5
119.03378	1.2
121.02840	2.6
123.08067	0.8
125.02327	2.5
125.05984	4.4
129.01840	0.6
135.02885	100.0
136.03244	2.3
137.02357	3.6
145.37489	0.6
146.96651	0.6
149.02292	0.8
149.06017	0.8
151.00346	1.0
152.01085	2.0
153.01886	0.9
163.00252	3.2
163.03908	1.3
164.01031	0.7
165.01837	1.1
165.09135	4.1
167.07092	0.8
175.02452	0.8
175.04042	0.6
177.01704	0.7
178.99796	1.0
190.02605	0.6
190.99786	2.3
191.07088	1.4
192.00531	0.8
193.08627	1.5
203.07030	1.1
206.02127	2.1
207.02806	0.7
209.08141	12.9
210.08591	1.1
219.06570	20.9
220.06953	1.2
221.08157	8.1
222.08545	0.6
233.08147	1.8
235.06071	10.3
237.07635	29.8
238.07980	2.0
245.08179	0.9
247.06075	50.8
248.06451	3.8
249.07735	8.1
251.09239	2.0
260.06931	0.8
261.07590	4.9
263.05817	0.9
263.09470	0.9
265.07196	4.3
267.06982	0.7
277.07150	3.3
279.08725	2.3
289.07141	3.2
291.08569	0.8
293.06656	0.9
303.08698	0.6
307.08212	2.0
317.79846	0.6
321.09769	1.0
337.09177	1.0
341.10156	1.1
349.12814	0.7
371.13239	1.0
393.07971	0.7
399.12918	38.1
400.13376	3.0
409.11386	5.6
425.10757	3.1
457.13556	1.2
501.16467	1.1
545.19202	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	543.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38730	1.7
59.01252	56.4
61.98690	2.7
69.41317	13.0
69.41742	6.5
71.01260	28.8
72.99199	2.3
73.02806	2.8
75.00745	7.9
81.03343	2.8
83.01250	3.2
83.04913	4.1
85.02806	13.3
86.41099	1.9
87.00758	7.9
89.02319	16.9
95.01269	6.1
95.04933	3.5
97.02837	4.8
97.06465	6.6
99.00759	4.1
101.02335	13.9
109.02841	2.2
109.06500	3.5
113.02344	21.2
119.03419	4.0
123.04440	2.5
125.02348	3.3
125.09612	5.2
128.97752	2.2
137.02333	3.8
137.09601	5.7
161.04446	6.6
163.11185	8.7
178.40648	2.2
179.05351	2.6
183.13812	7.9
185.11755	8.5
185.16556	2.2
191.14305	9.0
207.10164	3.8
209.11749	21.5
211.13286	3.5
220.53165	2.0
225.11272	4.0
237.11307	15.4
239.93533	2.5
245.19054	16.6
246.19237	2.5
249.06123	2.5
253.09247	42.6
263.20230	6.3
289.18100	85.8
290.18469	9.3
293.21149	12.5
295.02423	8.0
307.19150	100.0
308.19531	10.7
323.02185	2.8
543.27002	35.2
544.28375	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	544.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92147	1.3
59.01248	4.1
63.02265	4.0
64.00980	1.2
65.00199	6.3
71.01253	3.0
77.67994	1.3
79.95600	2.8
83.01249	4.5
85.02817	3.2
93.03336	1.3
96.95898	60.5
98.19683	2.5
100.88029	1.4
107.01273	11.7
109.02854	2.9
113.02329	2.8
121.02846	3.1
125.02370	6.8
128.23351	1.4
133.02817	3.0
147.03177	2.9
151.00273	41.5
152.01057	2.1
160.03969	6.0
161.02354	6.0
163.00270	4.1
169.01318	6.3
171.04430	2.1
175.03944	2.3
178.99783	21.0
180.00046	1.5
183.04459	3.0
186.01892	2.7
187.02669	6.0
188.03410	3.3
189.00592	3.0
193.01329	2.5
199.03941	9.0
201.02014	1.8
211.03821	2.2
215.03438	4.2
227.03406	8.3
229.05049	1.9
229.84656	1.6
239.03444	2.1
240.04355	2.1
241.05220	1.7
242.02202	2.0
243.02957	15.6
251.03436	2.6
255.02992	20.2
256.03613	4.9
257.04752	2.0
265.03644	2.6
267.03024	7.5
268.03519	2.2
269.04544	2.5
271.02493	40.4
272.03214	16.3
273.03915	4.7
282.04108	5.1
283.02405	7.3
284.03214	4.0
285.03918	4.8
293.03287	3.6
294.04141	13.5
295.02368	17.1
295.05228	1.6
296.02960	3.6
297.03833	3.2
299.01962	100.0
300.02692	29.2
301.03531	28.4
302.03665	2.1
310.03482	10.5
311.01807	2.2
312.02594	4.5
313.03384	11.1
314.03961	2.0
322.03522	19.9
323.04016	2.9
324.05164	2.1
339.03824	75.2
340.04584	57.9
341.04855	4.1
477.10413	11.4
484.08679	2.2
502.09967	4.9
503.08255	1.9
504.08966	15.1
517.09882	4.4
544.10999	90.7
545.11230	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	544.24
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.3
58.00484	0.7
59.01253	53.4
59.15868	0.8
60.01582	6.7
61.01671	5.5
61.98705	100.0
67.59305	0.7
71.01258	8.9
71.04884	1.0
71.55345	1.3
72.01578	1.2
73.02820	1.1
85.02840	4.0
87.00748	1.1
89.02315	10.5
90.02676	1.0
91.02745	1.3
96.95936	1.0
101.02330	4.9
102.02680	0.9
106.49040	0.7
108.04456	1.7
113.02315	5.4
118.05365	0.8
119.03378	4.0
120.03719	1.1
125.02363	1.5
137.02309	1.2
137.38727	0.7
143.03400	1.0
149.04326	1.0
161.04451	1.5
166.08676	1.0
179.05507	1.1
181.05975	0.9
195.13786	1.4
213.01395	0.9
214.85173	0.9
251.12784	3.1
253.09267	6.4
289.18088	1.3
290.18448	2.7
291.19644	2.8
309.20746	11.6
386.23349	0.8
476.34665	0.8
526.27118	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.2
56.30974	1.3
57.03311	1.6
58.00463	2.3
58.69508	1.0
59.01253	100.0
60.01578	2.3
61.98698	3.6
63.78691	1.2
71.01257	40.6
71.46106	2.4
72.99207	5.2
73.02817	3.0
75.00742	2.3
83.01246	1.5
85.02824	10.5
87.00756	2.3
89.02320	45.0
95.01250	2.5
95.04894	1.1
101.02322	27.8
102.02672	1.0
109.02823	1.3
113.02342	19.0
114.02728	1.2
119.03391	26.0
123.04442	1.2
125.02319	5.4
128.07077	1.6
131.03391	3.9
143.03392	3.3
149.04440	2.5
154.05046	1.3
161.04456	4.0
163.04013	1.2
175.02412	1.1
179.05534	9.8
222.21817	1.0
304.19156	4.7
322.20230	4.7
484.25525	22.2
485.26007	2.4
545.21912	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66315	0.7
55.01749	2.6
57.03316	2.4
58.00446	0.9
59.01253	88.6
59.54561	0.7
71.01257	20.0
71.58148	1.3
72.99187	0.9
73.02822	8.2
75.91851	0.6
78.95777	1.1
83.01260	7.2
85.02825	16.4
85.99971	1.9
87.00732	1.4
93.73464	0.8
95.01246	2.9
98.20267	0.9
99.00750	3.9
101.02319	16.2
103.50536	0.9
111.00763	1.7
113.02330	9.2
118.89251	0.7
141.70847	0.8
159.02910	1.7
161.04428	4.3
209.11781	0.8
213.18462	2.0
225.18535	1.2
295.26251	1.3
361.16748	0.9
439.30627	0.9
457.31702	10.6
458.31821	1.1
483.29504	2.7
501.30649	5.8
543.31750	100.0
544.32025	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	543.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.5
59.01252	100.0
63.30609	1.4
70.32943	2.2
70.33341	2.8
71.01257	25.6
72.99180	1.9
73.02814	3.4
77.93805	1.3
78.95788	1.4
85.02820	7.2
87.00748	2.3
89.02316	28.4
95.01240	1.6
99.00785	1.1
101.02331	14.8
113.02323	10.3
119.03394	16.9
121.02860	1.3
125.02357	1.9
131.03403	1.5
132.96559	1.0
143.03391	1.8
149.04477	1.3
161.04468	5.9
179.05557	7.5
191.05473	3.5
198.54213	1.1
223.18896	1.1
276.39349	1.2
321.24496	1.4
363.99420	1.5
483.29678	7.7
484.29813	1.5
501.30518	1.6
507.22247	2.0
543.31482	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14120	0.6
55.01760	3.2
57.03324	2.8
58.00464	1.1
59.01252	93.2
60.01578	0.8
62.37665	0.6
63.89840	0.6
65.64116	0.6
67.07837	0.7
69.03316	0.8
69.31152	0.6
71.01254	30.1
71.04888	1.1
72.99191	1.4
73.02821	11.8
78.35949	0.6
83.01255	7.9
83.01634	0.6
85.02825	19.7
85.06454	2.0
85.99994	1.5
87.00759	2.5
87.77515	0.7
89.02316	1.8
95.01270	2.5
97.02834	1.3
99.00729	4.7
101.02325	24.5
111.00751	1.2
113.02325	10.1
121.02800	0.6
125.02325	2.0
129.01802	0.7
143.03395	1.5
159.02919	2.1
161.04454	5.8
205.03539	0.7
213.18587	2.0
225.18590	1.3
229.60815	0.9
295.26373	3.5
457.31613	6.7
483.29535	4.7
501.30759	9.8
502.30878	2.2
543.31750	100.0
544.31958	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	543.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46763	0.6
53.20551	0.5
55.01735	0.6
57.03315	2.1
59.01253	27.6
61.98693	2.3
68.97073	0.5
69.03313	1.0
69.23037	0.6
70.09444	1.3
70.09860	1.8
71.01258	11.0
71.04875	1.9
72.99197	1.1
73.02800	2.3
75.00752	3.0
80.02576	0.7
81.03331	1.3
83.01257	2.0
83.04891	0.8
85.02818	6.9
87.00753	2.2
89.02303	5.8
95.01245	0.7
95.04913	1.5
97.02811	0.7
97.06467	0.7
99.00739	1.4
101.02313	8.0
107.04899	0.8
109.02844	0.7
109.06484	8.4
111.04404	2.2
111.08023	1.1
113.02325	6.8
119.03387	2.5
119.04886	0.8
121.02842	0.9
121.06465	1.2
123.04366	0.6
123.08048	1.4
125.02345	2.8
125.09598	1.2
127.07524	1.9
135.08034	0.8
137.02328	1.5
137.09560	0.6
143.10693	1.2
145.06479	2.2
147.88144	0.6
151.11215	0.8
161.04483	3.3
161.09698	0.7
167.10646	1.5
177.12775	1.0
179.05466	0.6
181.12242	0.9
187.77327	0.6
195.13879	4.0
209.11826	1.2
229.14433	0.9
235.13405	1.2
245.19083	2.9
245.55606	0.6
251.16458	0.5
253.09258	17.4
254.09604	0.7
271.17010	1.9
287.16571	1.5
289.18088	100.0
290.18445	9.0
295.02481	1.9
307.19080	7.6
308.20129	0.6
426.69974	0.6
441.94571	0.7
483.29593	1.7
543.14697	1.0
543.24481	5.8
543.72980	0.8
544.25189	0.7
562.76965	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
67.30006	1.9
71.57233	1.9
71.57658	3.0
103.76777	2.0
114.16367	1.8
115.79986	1.6
128.67567	1.9
242.80650	1.7
270.16968	1.7
353.35938	1.8
479.63925	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	543.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.2
57.03328	3.3
58.00475	0.7
59.01249	84.1
60.01582	0.7
62.65576	0.6
71.01250	31.2
71.57694	0.7
72.99190	1.8
73.02816	10.4
83.01253	6.3
84.38229	0.6
85.02816	17.1
85.99998	1.5
87.00766	2.1
89.02312	4.5
95.01251	3.0
97.02825	1.4
99.00744	3.5
101.02316	19.3
102.02650	0.8
104.27638	0.6
111.00740	0.7
113.02323	11.6
119.03370	1.6
125.02364	1.8
129.01866	0.7
135.04478	0.7
143.03410	1.1
159.02921	2.0
160.85219	0.6
161.04466	6.6
225.18640	1.0
295.26428	1.0
392.65491	0.7
439.30978	0.8
457.31754	5.4
483.29901	2.1
501.30768	4.0
543.31738	100.0
544.32062	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	543.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95097	0.4
57.03308	0.7
58.00464	0.7
59.01253	100.0
60.01581	0.9
61.98723	0.8
63.88424	0.4
69.03344	0.4
69.55322	1.5
69.55756	1.6
71.01255	15.2
71.44099	0.4
71.87990	0.4
72.01591	0.4
72.99201	1.3
73.02827	1.1
75.00748	0.9
83.01253	0.8
85.02822	3.2
87.00765	1.5
89.02319	23.3
90.02677	0.6
95.01278	1.0
96.95917	0.5
98.19845	0.9
98.31763	0.4
99.00745	0.6
101.02323	8.5
102.77052	0.4
108.02069	0.7
109.02827	2.1
111.00802	0.5
113.02336	6.8
119.03397	9.3
121.02837	0.5
123.00833	0.5
125.02338	5.6
126.02703	1.4
127.02805	0.4
131.03410	1.5
137.02379	1.0
141.31281	0.4
143.03401	2.4
149.04474	1.2
151.00357	0.4
161.02357	0.8
161.04494	2.5
168.00681	0.5
169.01346	3.3
170.01680	0.7
171.01866	1.3
179.05540	8.7
180.05858	0.4
195.06624	0.7
257.16129	0.4
263.06686	0.5
289.07541	0.4
296.10422	0.5
297.11163	0.5
299.13162	0.5
317.13983	1.1
341.10141	0.5
384.58411	0.4
419.90332	0.4
511.21780	0.5
543.20117	2.6
543.27734	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.8
57.03337	3.9
59.01251	17.3
61.98713	0.5
67.01752	0.8
68.99673	1.2
69.03313	0.8
69.27801	4.6
69.28226	1.4
71.01255	17.0
72.99194	5.1
72.99556	0.8
73.02811	1.6
73.44863	0.5
75.00747	20.1
75.77858	0.5
77.33302	0.5
83.01256	1.1
85.02822	23.4
87.00741	8.1
87.60564	0.5
89.02334	4.4
95.01262	4.6
99.00101	0.7
99.00752	10.8
101.02338	0.9
103.00281	2.7
111.00706	0.6
111.07961	0.7
113.02328	25.5
114.02662	1.1
115.00258	2.5
117.01842	2.5
129.01830	2.1
157.01289	0.9
175.02388	3.2
187.14981	0.6
195.13824	7.8
196.14236	0.6
205.07104	1.8
205.12274	0.8
223.13313	5.8
231.05078	2.2
242.24066	0.6
249.06119	19.9
250.06425	1.4
256.13324	0.9
267.07162	4.5
273.14944	0.6
275.20193	3.1
293.21222	38.2
294.21567	3.0
307.19144	0.9
336.20279	0.5
400.99976	0.6
474.21091	1.2
509.28299	0.8
525.26813	2.6
543.28094	100.0
544.28473	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	543.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19438	0.4
55.01755	0.8
57.03333	2.3
59.01252	7.7
65.76191	0.4
68.99695	0.6
69.03336	0.7
71.01256	11.7
71.59903	0.6
72.99183	4.1
73.02836	1.1
75.00748	21.8
78.32541	0.4
83.01267	1.2
83.04897	2.0
85.02822	14.0
87.00746	5.3
89.02306	1.6
95.01263	2.0
99.00758	8.6
101.02330	1.8
103.00219	0.7
111.00780	0.8
113.02338	12.1
115.00259	1.7
117.01849	1.4
119.04948	0.8
121.02846	100.0
122.03190	3.9
125.02355	1.9
127.00276	0.5
129.01851	0.8
131.03412	0.6
137.02419	0.4
139.00301	1.2
157.01408	1.8
163.03983	0.8
169.01352	1.6
175.02388	2.4
262.79562	0.5
299.02188	0.5
301.03561	0.5
403.12726	2.2
421.13513	7.6
422.13882	0.6
439.08182	0.4
525.15692	0.5
543.17169	48.6
544.17554	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	543.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62370	0.5
55.01749	0.9
57.03323	3.8
59.01253	22.2
60.20243	0.6
67.01761	0.9
68.99699	0.9
69.03342	0.9
71.01256	24.7
72.34964	0.6
72.99188	7.0
73.02807	2.4
75.00749	19.0
83.01279	1.0
85.02824	26.5
86.29698	0.6
87.00746	8.2
89.02326	7.2
91.03884	0.6
95.01283	6.2
97.06474	1.2
99.00762	9.4
101.02312	2.5
103.00249	3.2
104.68246	0.7
110.85512	0.6
113.02334	33.9
114.02626	0.9
115.00232	2.0
117.01831	2.5
129.01828	2.6
131.03392	1.1
147.26511	0.6
149.04453	0.8
151.11177	1.4
157.01332	1.6
165.12854	0.7
175.02397	4.8
179.14343	0.7
181.12230	1.4
195.13841	6.4
196.14505	0.8
205.07138	2.0
209.11790	2.5
223.13333	4.1
227.12889	1.1
228.13701	0.9
229.76314	0.7
245.19075	1.1
249.06131	7.6
253.09216	2.4
263.20135	1.0
267.07184	7.5
275.20163	2.9
289.18118	2.8
293.21249	28.1
294.21515	2.6
307.19138	5.7
473.20374	0.7
474.20844	1.5
525.26874	2.6
526.27527	0.7
543.28094	100.0
544.28467	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	543.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	23.2
69.35499	9.5
69.35922	13.5
69.96236	2.3
71.01254	20.5
73.02827	7.2
83.01252	8.4
85.02832	6.8
86.53224	2.4
87.00771	2.5
89.02316	5.8
93.03337	2.8
99.00777	7.1
101.02322	8.7
107.01260	4.8
110.46246	2.7
113.02337	11.3
125.02361	16.1
143.05078	2.4
145.02844	5.5
148.04066	5.5
148.05217	96.4
151.00301	9.5
161.04469	6.7
161.05989	3.6
163.07565	100.0
169.01367	22.7
182.83696	2.4
185.06068	2.4
199.01241	2.5
211.02361	2.6
229.05028	31.0
253.04892	2.9
313.05667	11.6
457.17169	19.6
499.18283	22.9
500.18539	3.2
543.11346	29.2
544.12000	5.5
544.26971	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	541.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50544	3.1
53.46822	2.8
59.01252	100.0
61.98714	15.0
71.01240	11.2
75.00751	10.0
85.02839	5.6
89.02313	11.7
101.02332	11.4
113.02318	5.7
119.03445	5.3
125.02350	8.3
165.09128	8.1
179.00423	2.7
209.08101	35.1
210.08208	2.9
210.51369	3.5
275.23752	5.8
277.86243	3.0
312.39560	4.4
318.43817	3.3
319.22824	55.3
320.23154	5.8
330.61435	3.4
444.10812	3.6
458.34537	3.1
466.44907	3.4
481.28082	4.3
505.34085	5.1
541.32190	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	543.0641
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	52.7
65.00205	25.3
66.00851	38.8
67.01773	10.5
69.03355	14.9
69.58242	26.4
69.58669	45.5
69.75353	8.5
71.01266	33.5
72.99197	44.8
73.02843	7.4
75.00756	9.2
81.03348	7.7
83.01265	20.8
85.02821	48.5
87.00767	10.8
87.52142	8.5
89.02319	18.4
91.01799	9.1
93.03341	11.9
93.30118	7.0
95.01270	23.1
99.00778	30.2
101.02335	13.4
107.01264	14.8
109.02814	38.8
111.00784	38.2
113.02363	45.0
119.04850	11.9
121.02804	11.8
123.00771	36.0
125.02339	37.7
127.00294	9.3
131.03403	9.2
136.98790	11.1
137.02350	29.5
139.00278	57.9
139.03987	13.6
141.01828	16.5
145.02797	9.9
147.04448	17.0
149.02359	25.8
151.00285	68.0
153.01878	37.5
154.99741	70.6
159.04359	18.7
161.02333	26.8
163.00302	23.8
163.03931	13.5
164.01134	9.9
164.98288	10.6
165.01866	21.5
166.99725	44.4
168.00526	15.3
169.01344	30.5
175.00320	15.4
175.03952	16.4
177.01723	12.0
178.99796	100.0
180.00250	9.4
181.01382	14.4
185.00839	10.2
187.03990	23.1
189.01939	15.1
190.02940	8.4
190.99800	9.5
191.03470	13.0
193.01408	33.6
193.03349	41.1
194.99223	44.6
197.00920	9.6
203.03500	17.0
206.99397	15.6
207.02847	10.4
209.00798	43.6
213.02016	9.1
215.03444	10.1
217.01324	11.1
219.03027	20.6
221.00992	8.2
222.98819	13.0
225.00394	31.8
231.02927	23.2
243.02991	15.7
247.02394	10.5
249.04015	18.8
258.01813	10.0
259.02451	27.9
261.04074	12.5
263.01880	15.8
271.02380	8.8
275.01944	11.1
277.03391	13.2
287.01987	46.0
301.03586	45.0
303.01447	18.0
305.03061	28.9
315.01254	10.8
325.03558	33.8
331.00906	63.4
332.01559	12.5
333.02420	82.1
340.04810	13.2
341.03091	14.0
349.01254	56.8
349.05292	23.3
350.02698	12.2
350.39319	8.8
367.05728	33.1
368.04266	28.0
373.04065	13.4
385.04321	10.6
401.03424	13.9
477.06711	14.2
492.68756	8.4
543.07056	13.7
544.07239	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	541.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50544	3.1
53.46822	2.8
59.01252	100.0
61.98714	15.0
71.01240	11.2
75.00751	10.0
85.02839	5.6
89.02313	11.7
101.02332	11.4
113.02318	5.7
119.03445	5.3
125.02350	8.3
165.09128	8.1
179.00423	2.7
209.08101	35.1
210.08208	2.9
210.51369	3.5
275.23752	5.8
277.86243	3.0
312.39560	4.4
318.43817	3.3
319.22824	55.3
320.23154	5.8
330.61435	3.4
444.10812	3.6
458.34537	3.1
466.44907	3.4
481.28082	4.3
505.34085	5.1
541.32190	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	541.3013
Annotation	Salvigreside C
Peak:m/z	Relative Intensity
57.03322	0.8
59.01254	100.0
60.01612	0.7
61.98709	2.5
65.59177	0.5
68.67612	0.5
70.59044	1.9
71.01260	6.9
72.99202	0.9
73.02828	1.2
75.00748	0.9
75.42156	0.6
78.95782	0.8
81.02866	0.6
83.01283	0.7
85.02831	3.6
87.00771	1.5
88.87864	0.6
89.01852	0.8
89.02310	4.8
91.83186	0.5
94.55187	0.6
95.01269	1.3
97.96289	0.6
99.00765	0.8
101.02323	5.7
109.06476	0.7
113.02336	6.3
119.03391	2.5
125.02348	1.6
154.86646	0.7
161.04498	2.5
179.05576	1.3
221.06485	0.8
273.22183	0.9
287.16580	0.8
291.19781	1.0
301.21649	1.4
305.17654	1.8
319.22781	89.4
320.23102	10.4
333.24268	1.3
343.22812	3.5
361.23788	2.5
481.27945	1.2
482.28641	0.6
541.27136	2.5
542.31989	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70539	0.4
58.00484	0.7
59.01249	100.0
60.01594	1.1
64.67041	0.5
70.70598	1.4
70.71157	0.5
71.01253	10.1
72.99161	0.6
85.02840	1.4
85.36718	0.4
89.02316	17.5
95.01259	0.6
101.02314	5.8
104.90186	0.5
113.02333	5.2
119.03378	6.1
131.03433	0.9
143.03407	1.2
149.04462	0.9
156.22038	0.4
161.04504	1.5
179.05536	4.4
192.27951	0.4
230.62654	0.5
335.21292	0.5
547.60236	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19670	0.9
55.01735	1.4
57.03316	3.6
58.00461	1.1
59.01252	64.5
60.01571	1.2
60.19485	0.9
61.98693	3.5
67.01730	1.1
68.99683	1.2
71.01253	28.3
72.99181	7.4
73.02814	1.8
75.00355	1.7
75.00749	21.5
83.01264	1.5
85.02821	29.9
87.00758	9.2
89.02322	9.8
95.01266	5.5
95.04923	1.4
99.00756	13.4
101.02333	4.2
103.00237	3.5
111.00726	0.9
113.02335	39.6
115.00246	2.9
117.01807	4.0
119.03373	2.0
125.02351	1.3
129.01820	2.9
143.03447	0.9
161.04436	1.2
165.12778	15.8
175.02440	5.3
179.05661	1.4
197.16245	0.9
205.07179	2.5
209.08156	2.2
223.08237	2.0
233.08209	2.5
247.20718	7.5
249.06195	7.9
253.09207	1.2
267.07245	12.9
273.18616	5.8
273.22144	1.3
283.43552	1.0
287.16623	1.6
291.19656	50.3
292.19812	4.6
301.21527	1.8
305.17685	2.2
319.22772	39.7
320.23093	3.9
481.24011	1.1
505.33743	1.1
523.25482	2.9
541.26520	100.0
542.26898	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	541.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.7
57.03322	1.0
59.01254	8.8
61.98702	1.2
69.03329	0.7
71.01254	4.6
71.59290	1.1
72.99181	27.9
73.02825	1.7
75.00742	0.8
77.20922	0.6
83.01269	0.7
85.02831	3.6
87.00810	1.0
89.02328	1.4
95.01300	1.8
99.00719	1.3
101.02337	2.2
101.05966	12.4
109.02849	0.8
113.02329	5.5
117.03358	1.6
119.04919	100.0
120.05239	3.5
121.02851	1.5
123.00776	5.4
124.01568	4.1
125.02354	6.3
133.02956	0.5
134.03693	0.7
135.04330	0.9
137.02342	2.1
139.00272	0.8
145.02840	4.6
149.04477	0.7
150.03014	0.6
151.00244	0.7
162.03203	1.3
163.03920	66.0
164.01057	5.2
164.04288	2.5
165.01790	0.6
166.99744	2.0
167.03441	0.7
168.00537	2.5
169.01349	5.3
174.03113	0.6
175.25134	0.5
177.01857	0.9
177.05508	1.2
194.39827	0.5
232.41743	0.7
245.15472	0.6
271.10025	0.6
273.14920	2.9
277.07147	2.7
289.14490	1.1
307.08075	1.6
317.13788	2.0
330.06125	2.8
331.06158	0.8
335.15051	5.4
379.13721	1.4
423.29776	0.6
437.12259	1.0
439.12439	18.9
440.12607	2.1
457.13351	3.7
497.19867	2.0
520.38251	0.6
541.19073	22.2
542.19769	3.2
553.63312	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.4
57.03326	0.7
58.37984	0.5
59.01254	6.1
61.98708	1.4
67.01768	0.5
69.03329	1.7
71.01253	2.0
71.01615	0.4
72.99177	1.1
73.02830	0.6
75.00745	0.8
81.03316	1.1
83.01283	0.9
85.02836	1.4
85.36800	0.5
87.00761	0.6
89.02345	0.7
95.01274	2.0
97.02850	1.8
99.00803	0.6
101.02322	1.3
107.01266	0.7
109.02824	0.9
111.00766	2.7
112.23071	0.4
113.02325	1.6
119.04886	0.5
120.90463	0.5
121.02863	0.9
123.00774	2.8
124.01578	4.2
125.02341	95.4
126.02686	2.5
137.02361	1.3
139.00287	3.3
151.00278	0.6
151.07549	1.4
154.99707	0.6
165.01801	0.5
165.12776	1.4
166.99829	2.3
167.03409	0.8
168.00565	6.7
169.01344	100.0
170.01691	3.5
181.04907	1.0
183.13823	4.5
193.04979	0.6
195.06587	7.3
196.06839	0.5
209.04495	1.5
211.02443	1.0
211.06046	1.8
219.06554	0.7
227.12872	3.3
251.12895	1.2
269.13516	0.5
271.04608	2.0
287.07712	6.6
293.14035	3.1
313.05688	1.3
331.06714	17.5
332.07086	1.0
361.05630	2.6
371.16980	1.1
373.11310	3.0
497.20248	16.0
498.20737	1.6
511.22571	0.9
523.10803	1.8
523.22784	0.9
541.19202	26.7
542.19415	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	541.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.1
59.01253	12.8
61.00264	0.4
61.98703	2.6
67.01761	1.9
69.03329	0.7
71.01255	5.3
71.60101	0.6
72.99196	0.6
73.02821	0.8
75.00758	1.0
78.43521	0.4
81.03330	0.6
83.01266	1.4
84.11579	0.5
85.02818	2.9
87.00751	2.0
89.02316	3.0
93.03309	0.5
94.06133	0.4
95.01266	27.3
95.04903	0.5
97.02848	1.2
99.00771	1.0
101.02303	3.2
108.02077	1.1
109.02850	4.0
111.00751	1.2
113.02353	3.4
119.03430	0.8
119.04938	0.6
121.02860	0.6
123.00771	69.8
123.04382	0.9
124.01589	20.2
125.02346	30.2
126.02666	0.9
135.04355	0.5
136.01552	0.7
137.02345	11.2
139.00233	2.2
140.01047	0.6
141.01802	0.9
143.04887	0.6
145.06497	0.9
149.02324	1.1
149.04478	0.8
151.03922	1.1
152.72794	0.4
154.99788	1.1
159.02991	0.6
161.04445	0.6
162.86057	0.4
163.03830	0.6
164.01088	2.7
165.01855	2.3
166.99776	32.8
167.03445	1.6
168.00565	19.2
169.01340	41.6
170.01691	1.6
177.01839	0.9
179.05592	0.6
181.01350	7.8
182.01680	0.7
187.03986	0.4
187.56207	0.4
188.04669	0.5
193.01357	2.3
195.02950	0.8
211.02443	1.9
211.13275	0.7
212.13663	0.5
219.06726	0.4
223.02408	0.5
255.03006	0.6
271.13455	2.6
273.14987	1.7
286.06955	2.0
289.07281	0.5
289.14487	1.3
299.12814	2.1
301.03336	0.7
303.05011	0.9
317.13934	17.3
318.14215	1.5
329.05106	10.7
330.05914	100.0
331.06256	8.1
335.14966	9.6
336.15527	0.7
361.12796	0.7
379.13843	3.7
479.19336	1.3
497.20242	4.9
498.20355	0.7
533.71204	0.5
541.18964	10.7
542.19470	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54818	9.1
59.01256	57.6
69.69948	8.2
69.72855	16.4
69.73261	54.0
72.99196	11.8
74.02321	11.8
84.52271	9.3
85.02837	10.2
95.01259	10.0
98.20457	13.9
109.02835	11.0
113.02299	9.9
125.02376	11.0
139.00267	10.7
147.04417	94.3
151.00224	11.6
154.99734	10.3
165.05496	100.0
182.35756	9.1
193.03464	12.3
203.08221	11.6
207.06567	48.2
245.09221	23.0
293.03134	11.3
302.37302	9.0
320.28357	9.6
347.00327	13.1
541.22491	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	541.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56370	1.9
55.01751	2.5
55.02294	1.7
57.03312	2.6
59.01251	100.0
60.01604	1.7
60.50926	1.6
70.03652	6.7
70.04063	3.8
71.01254	35.1
72.99228	1.8
73.02811	20.4
83.01245	6.4
85.02827	7.1
87.00730	3.0
89.02316	7.8
95.01263	11.9
98.19855	1.9
98.57258	1.7
99.00735	3.0
99.04418	2.4
101.02317	27.7
101.66985	1.8
113.02319	8.6
119.03397	4.1
125.02331	2.4
149.04469	2.7
161.04459	5.3
161.09625	2.3
187.11218	7.3
192.87253	2.2
205.12285	23.9
231.10114	4.4
288.45529	2.0
349.16312	2.0
355.75180	1.7
356.26260	1.9
367.17606	8.0
368.17850	1.9
409.18738	5.0
453.17630	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	541.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	7.4
59.01250	28.7
63.30050	1.0
69.03322	2.8
71.01256	1.7
73.02833	1.2
81.03328	3.2
83.01282	5.5
85.02821	5.9
93.03339	1.7
95.04881	2.1
97.02842	5.8
107.01147	1.1
109.02830	3.5
121.02837	5.8
123.00761	3.3
123.04391	2.5
125.02335	44.0
126.02660	1.3
137.02345	32.2
137.05911	1.2
138.02783	1.1
139.03952	2.0
147.04404	1.2
149.02335	1.3
151.03972	1.5
161.02411	1.3
161.06017	1.9
163.03874	2.0
164.01086	2.4
165.01842	33.7
166.02376	2.0
167.03427	9.4
169.01376	2.1
172.05200	1.7
173.05952	2.8
177.01796	1.5
181.05028	1.9
187.03897	3.8
188.04666	7.4
189.05496	1.5
190.02711	1.3
196.05135	1.7
200.04704	6.3
201.05511	9.5
202.06256	9.1
203.03412	1.4
204.04221	7.5
205.04944	2.7
209.06078	1.5
211.03964	1.7
211.07498	2.3
212.04791	2.0
213.05519	2.4
215.03461	4.5
216.04201	7.1
217.04941	4.2
221.05914	1.8
223.07654	2.2
224.04753	1.5
225.05513	3.8
225.09193	25.0
226.09492	1.5
227.03465	3.1
227.07021	2.4
228.04269	2.8
229.05019	13.1
229.08499	1.6
230.05766	10.3
231.06367	1.8
232.03743	1.7
233.04524	1.9
234.05168	3.4
239.07112	2.5
241.05118	3.0
241.08672	10.7
242.05766	2.4
243.06529	2.7
243.10214	16.4
244.10455	1.9
245.08156	11.5
248.03223	1.9
251.07069	2.5
252.04207	1.6
253.04909	2.0
253.08694	21.0
255.06496	1.9
257.08099	2.1
259.09540	1.7
262.04788	2.7
263.07138	2.7
264.07822	1.7
265.08722	5.3
267.06647	2.3
267.10291	1.8
268.07379	1.6
269.05530	1.6
269.08163	11.1
270.05295	2.0
271.09741	50.9
272.10016	3.6
281.08249	4.7
282.08896	2.4
283.09726	5.3
291.06647	4.4
292.07346	2.6
293.08215	4.8
297.00897	1.3
298.08640	1.3
299.09323	15.8
300.09671	2.2
305.08234	1.7
306.08826	1.8
309.07739	2.1
309.11307	3.0
310.08380	2.3
311.09125	8.9
312.09616	1.2
315.08755	3.9
323.09204	1.7
323.12775	1.4
324.10193	1.5
333.07471	2.0
333.11102	7.0
334.08389	2.0
343.08020	2.6
343.11884	4.4
347.12628	1.4
351.08502	2.0
351.12308	10.1
355.08356	2.6
357.11777	1.2
365.13910	2.9
375.12411	8.6
391.11707	2.7
393.13513	6.1
395.11423	2.2
401.10364	3.3
409.12823	2.0
419.11316	17.0
420.11301	1.8
437.12408	100.0
438.12753	10.4
463.10458	7.6
481.11346	36.0
482.11667	4.6
523.12140	1.6
541.13654	7.8
541.20911	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	4.4
59.01251	31.9
60.46663	1.3
62.74526	1.1
69.03326	1.4
71.01258	3.8
71.18414	3.1
71.20628	1.3
72.99153	1.5
78.95763	1.2
81.03331	2.3
83.01264	5.1
84.28691	1.1
85.02838	5.1
89.02316	2.6
93.03348	3.1
95.04893	2.4
97.02834	7.2
99.78477	1.5
109.02862	2.6
111.00764	1.9
113.02316	2.2
121.02850	6.6
121.78183	1.3
123.00783	1.3
123.04382	3.6
125.02338	39.1
125.47804	1.2
126.02707	1.4
137.02347	36.8
138.02582	1.7
151.03995	1.9
163.03909	2.9
164.01076	2.4
165.01842	33.7
167.03412	9.2
169.01271	1.7
179.03429	2.7
187.03868	3.5
188.04794	4.1
189.05513	1.7
199.03772	1.6
200.04730	4.9
201.05507	8.0
202.06218	7.1
203.03368	2.0
204.04204	7.6
205.05013	1.9
209.08052	1.4
211.07593	1.7
212.04774	1.3
213.05518	1.7
214.02644	1.3
215.03467	3.2
216.04274	6.5
217.04955	2.2
223.07686	2.7
224.04893	2.0
225.05620	2.8
225.09190	21.3
227.07144	3.1
228.04337	2.3
229.05054	14.3
230.05826	11.6
231.06587	1.6
233.04559	1.4
234.05273	4.3
237.05650	2.2
239.07228	3.1
240.04207	1.3
241.05086	3.0
241.08620	8.8
242.05757	1.7
243.10225	18.2
244.10497	1.8
245.04388	2.0
245.08160	9.8
250.06508	1.5
253.08711	17.6
255.06615	1.9
257.08289	2.3
262.04721	2.8
263.07355	3.3
265.08667	2.8
267.06519	2.6
269.08188	13.4
271.09756	45.2
272.10007	2.7
281.08127	3.7
283.09702	2.8
291.06641	4.5
292.07281	2.5
293.08206	3.3
299.09244	14.9
305.08301	1.8
309.11234	2.1
310.08340	1.8
311.09277	8.5
315.08878	4.3
333.07687	1.9
333.11292	4.2
334.08389	2.8
343.08066	3.2
351.12335	8.0
353.10214	1.4
357.11136	2.1
360.06223	1.9
365.13870	2.3
375.12283	10.8
376.12842	1.6
379.11697	4.1
391.11798	1.8
393.13495	7.6
395.11401	2.1
397.09796	1.7
401.09854	2.8
419.11307	20.7
420.11481	1.7
437.12372	100.0
438.12802	12.0
463.10263	7.6
481.11371	35.1
482.11642	4.2
541.13495	9.5
542.14032	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	541.1347
Annotation	3,4',5-Trihydroxystilbene 4'-O-beta-D-(6''-O-galloyl)glucopyranoside
Peak:m/z	Relative Intensity
57.85638	0.5
59.01252	1.3
63.49253	0.5
67.01758	1.0
68.99674	0.5
69.03307	0.6
70.23768	0.4
71.01254	3.6
72.99216	0.5
73.02821	0.6
79.01775	1.1
81.03340	0.9
83.01231	0.6
85.02838	1.3
87.00757	0.5
93.03329	0.6
95.01258	2.4
96.95908	0.4
97.02840	1.0
101.02309	1.7
107.01264	10.0
109.02826	0.6
111.00755	1.9
113.02322	1.7
119.04914	0.7
120.81044	0.5
123.00764	12.9
124.01547	1.6
125.02335	50.2
126.02687	1.7
131.22958	0.4
131.36816	0.5
132.35655	0.5
136.98701	1.4
137.02307	0.6
139.00253	3.5
140.01071	2.5
141.01794	2.1
141.07004	0.6
143.04927	3.4
151.00281	7.6
153.01877	0.9
157.06502	0.9
159.08076	1.2
167.03445	0.5
168.00499	3.3
169.01332	62.0
170.01695	2.6
182.07355	0.5
182.20662	0.5
183.08119	1.9
185.05980	6.9
193.01402	0.7
209.04440	0.5
211.02444	1.3
215.37852	0.5
227.07088	38.6
227.21321	0.5
228.07405	3.0
232.53226	0.5
241.03345	0.8
253.03468	0.5
280.82022	0.5
290.24948	0.5
313.05637	17.5
314.05899	1.4
454.65540	0.6
541.13489	100.0
542.13873	14.0
554.00226	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42686	1.6
59.01254	28.2
65.03831	3.9
67.01765	2.1
70.04728	1.6
71.01250	6.4
78.95766	2.8
86.71264	1.7
89.02312	3.7
91.01771	45.8
94.90091	1.7
95.19704	1.6
96.95917	2.2
101.02318	4.3
108.02100	3.1
109.02134	3.6
109.02844	60.2
110.03203	2.8
113.02328	4.4
121.02856	4.1
125.02345	9.6
133.02829	3.0
133.87761	1.7
135.00786	28.2
135.04391	2.1
136.01070	2.1
137.02319	1.8
145.02861	7.8
146.03647	2.4
147.04427	19.6
151.03909	2.9
153.01843	68.9
154.02193	2.9
159.04422	81.6
159.05743	3.9
159.27699	1.7
160.04759	3.2
161.02354	3.9
161.04541	2.2
169.01340	3.6
173.02362	6.6
174.03171	15.0
175.03761	3.4
183.07866	1.8
209.06042	2.1
220.05362	2.3
221.06076	3.4
225.05484	2.8
229.05061	9.2
237.05530	5.1
239.07048	5.5
241.05055	2.6
248.04677	2.7
249.05640	8.4
253.05112	11.0
254.05432	2.1
264.04184	3.6
265.05017	20.0
267.06625	6.9
269.04443	3.4
269.08221	7.3
276.04269	2.6
277.05066	39.8
278.05655	4.1
280.03516	2.8
281.04535	5.8
283.06073	33.3
284.06354	3.9
291.02747	2.2
293.04517	4.0
294.05380	2.7
295.06119	100.0
296.06430	9.0
297.04233	9.0
297.08286	1.8
308.03204	2.1
309.04086	20.5
310.04346	2.9
311.05780	2.3
321.04031	37.5
322.04456	4.2
335.22281	2.5
336.22546	6.4
359.09232	2.6
361.16434	5.0
369.07913	3.3
375.08783	13.7
376.08932	2.0
387.08713	33.3
388.09058	3.1
389.06622	6.7
401.06616	9.1
402.07257	2.0
405.09744	32.7
406.10147	3.7
413.06479	9.9
414.07077	3.7
419.07739	23.1
420.07962	4.6
431.07709	77.3
432.08170	9.0
497.12616	2.7
523.10309	4.9
541.10425	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	540.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56646	0.5
57.36918	0.5
61.70184	0.6
70.00492	1.8
70.00928	1.5
71.01243	1.4
72.00781	11.0
73.02821	0.6
85.07829	0.5
87.00755	1.6
98.19882	1.0
121.02869	0.7
122.03640	0.8
130.01602	0.6
132.05975	0.6
147.04416	39.2
148.04778	1.2
149.02347	9.8
150.03130	14.9
161.02306	1.2
161.04486	2.2
162.03143	1.0
163.04002	0.6
164.04752	5.0
164.07079	100.0
165.05481	43.0
165.07443	2.8
166.05818	2.2
173.07993	0.6
177.05438	0.9
180.04163	1.2
195.06549	18.6
196.06999	0.7
206.26057	0.6
222.21895	0.6
327.10855	11.9
371.51202	0.8
505.26248	0.6
506.54565	0.6
563.41284	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	21.1
66.14415	0.4
75.20977	0.3
78.95776	17.0
100.38314	0.3
152.99513	2.9
168.04204	2.6
201.37292	0.3
201.83566	0.4
224.06895	7.5
241.21686	100.0
242.07918	1.5
242.22008	6.8
242.24347	0.5
466.29373	55.0
467.29742	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	540.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.8
59.01254	5.2
60.01583	0.6
61.98704	100.0
64.13674	0.4
71.01257	2.5
71.59284	0.5
71.61010	0.4
72.99186	0.6
73.02827	0.9
73.62472	0.4
75.00761	0.5
83.01262	0.5
85.02828	1.9
87.04395	4.7
88.04740	0.5
89.02335	1.2
91.19418	0.4
95.04900	0.5
97.02835	0.6
97.38467	0.4
99.00755	0.7
101.02317	2.3
109.02837	2.0
109.93887	0.4
113.02354	1.3
121.02837	0.8
123.00793	0.6
123.04427	1.6
124.48430	0.5
125.02344	10.3
126.02692	2.7
137.02357	1.7
139.03917	0.5
145.02818	0.7
149.02315	0.5
149.04472	0.8
151.03940	0.9
152.01080	0.5
159.04416	0.6
161.02353	0.8
161.04514	0.6
163.03879	0.5
165.05540	0.5
168.00493	0.6
169.01331	11.0
170.01662	3.2
179.03270	0.6
180.07527	0.6
187.03877	0.5
191.07001	0.5
203.07086	0.8
204.07353	0.6
245.08273	1.3
246.08519	0.5
271.06204	0.6
289.07175	3.4
290.07532	3.4
291.08121	0.4
319.19199	0.7
346.17346	0.6
387.14435	1.9
388.09796	0.6
388.14725	3.9
389.15317	0.6
452.22391	0.5
503.10632	0.4
539.34839	0.6
541.18622	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.3
55.54754	0.6
57.03322	8.0
58.00467	3.6
59.01250	58.6
67.01755	0.7
68.99664	0.9
69.03310	1.0
69.58125	5.1
71.01254	42.1
71.04874	0.9
72.01595	1.2
72.99184	5.3
73.02824	5.9
75.00735	2.3
79.01751	0.6
83.01253	3.9
83.04885	0.8
85.02821	14.6
87.00756	3.3
87.04388	2.4
87.50307	0.6
89.01757	1.7
89.02319	34.2
93.03323	0.9
95.01240	4.7
97.02827	1.2
97.05840	0.6
97.06469	1.3
98.19756	1.2
99.00742	1.8
99.04433	0.7
101.02323	26.7
102.02641	0.9
107.01274	3.5
109.02824	1.2
109.06461	0.6
111.00763	2.7
111.08051	0.9
113.02327	16.7
114.02732	0.8
115.07552	1.5
117.78653	0.7
119.03383	14.5
119.04877	0.9
121.02872	1.1
123.00775	10.9
123.08063	1.2
124.01553	1.4
125.02338	11.3
129.09146	1.0
131.03416	1.6
137.02293	1.1
139.00304	3.3
139.11163	0.9
140.01060	2.5
141.01828	1.4
141.09128	1.0
143.03407	2.2
145.02890	1.3
146.03667	0.7
149.04439	2.8
149.09644	0.6
151.00281	8.0
151.03835	0.6
153.01866	0.9
153.09065	1.5
157.12254	1.4
161.02342	1.0
161.04471	3.6
161.05818	0.8
163.03905	1.9
167.10625	1.1
168.00584	3.1
169.01338	14.3
169.12210	1.0
170.01694	0.8
179.05551	5.0
187.11162	0.6
187.13322	3.5
199.62701	0.6
201.15012	0.7
208.61937	0.6
211.02472	1.0
217.14430	2.7
231.03978	1.7
231.15987	3.3
232.16348	1.8
233.16452	0.9
246.08575	0.7
252.04678	0.9
267.07101	1.4
271.02417	5.2
272.02884	1.1
299.01974	2.7
300.02637	4.8
301.03406	4.2
313.05627	1.5
317.23297	1.5
341.06488	0.8
344.51349	0.6
353.63483	0.8
359.27979	1.0
361.16586	1.0
366.65417	0.6
377.29050	40.2
378.29398	4.6
490.87427	0.7
500.40738	0.6
505.10181	3.2
506.10611	0.8
539.21320	57.7
539.34308	100.0
540.21954	9.6
540.34656	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	540.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27166	0.2
54.92117	0.3
57.03332	0.5
59.01254	4.1
60.01580	0.3
61.98707	100.0
62.98426	0.3
64.38370	0.3
71.01261	3.0
71.60876	0.5
72.99179	0.3
73.02824	0.6
78.95779	0.6
81.03377	0.3
83.01262	0.6
84.11605	0.2
85.02838	1.8
87.00770	0.7
87.04395	6.1
88.04748	0.8
89.02344	0.9
95.01258	0.5
95.89027	0.2
97.02850	0.5
99.00738	0.3
101.02334	1.9
102.02604	0.4
107.01235	0.3
109.02860	1.0
113.02355	1.2
119.03370	0.4
123.00810	0.3
123.04388	0.7
125.02346	5.3
126.02712	1.6
133.02921	0.3
134.03679	0.7
135.00871	0.3
135.04504	0.3
137.02380	0.9
138.02663	0.3
145.02805	0.4
149.04500	0.8
151.03877	0.4
152.00993	0.5
153.01831	0.3
159.03133	0.2
159.04494	0.4
161.04514	0.8
165.46519	0.3
169.01347	4.4
170.01715	1.4
175.03735	0.3
177.02031	0.3
178.02629	0.3
187.03876	0.3
202.06310	0.4
203.07007	0.3
204.07420	0.4
237.71120	0.3
245.08238	0.6
246.08601	0.3
285.03781	0.3
289.07086	1.4
290.07452	1.3
295.06317	0.3
345.17255	0.4
346.17514	0.6
370.13474	0.3
387.09467	0.4
387.14490	0.8
388.14911	2.3
390.16556	0.3
431.07581	0.4
436.66269	0.3
451.22226	0.3
452.22012	0.4
486.15228	0.3
540.19922	0.3
540.28314	0.8
568.07678	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.4
57.55540	0.3
59.01247	2.3
69.65868	0.3
69.89758	1.9
72.99205	0.5
78.95755	0.3
83.01271	0.4
91.01772	0.6
92.82023	0.3
101.02327	0.6
109.02845	1.1
121.02860	0.7
125.02315	2.4
135.00800	0.4
145.02809	0.5
147.04463	0.6
151.03886	1.0
151.35550	0.3
153.01831	1.0
159.04381	0.5
160.05128	0.5
161.05952	0.4
163.03899	0.4
165.05441	0.4
169.01309	2.0
173.05943	0.4
175.07504	0.7
217.00275	0.5
220.20648	0.4
241.08727	0.5
259.56418	0.4
267.02982	1.0
267.06329	0.4
283.06119	0.6
289.07242	1.1
309.04099	0.4
329.13885	1.3
335.22287	100.0
336.22644	11.1
385.12903	0.3
387.14462	1.0
419.07755	1.2
509.22025	0.5
521.21838	1.1
539.15808	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2627
Annotation	CHEBI:68152
Peak:m/z	Relative Intensity
57.03326	1.9
59.01250	13.5
61.98698	4.3
64.34634	1.1
64.69981	1.4
71.01265	2.9
71.09506	2.4
76.64386	1.1
78.95778	37.4
80.65186	1.1
83.04917	2.1
96.95899	1.7
96.96864	2.2
99.08048	3.1
101.02325	1.9
113.09616	2.6
125.02341	2.2
129.09131	4.7
152.99492	56.1
167.03377	2.3
169.12283	2.6
171.00510	4.0
181.12285	4.8
183.13826	2.2
197.11772	13.3
199.13295	6.0
211.13370	16.5
212.95329	1.3
217.00314	1.7
227.03215	5.5
245.04321	3.2
293.21240	12.7
311.22293	53.9
312.22662	5.0
317.21075	6.6
447.21576	2.2
539.26263	100.0
540.26617	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	539.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83645	1.4
55.01734	1.2
57.03321	12.9
57.91081	1.1
59.01252	45.7
61.98705	10.9
66.80370	1.1
69.14206	1.2
70.06895	4.8
71.01255	3.3
73.02809	4.1
75.00766	1.8
81.03342	4.3
82.71679	1.1
83.01257	8.0
85.02829	3.6
87.00758	2.8
87.04387	1.3
89.02336	6.3
93.03342	2.9
95.04907	2.3
97.02827	5.5
101.02342	3.1
109.02842	22.3
111.00735	2.2
113.02315	2.3
113.86604	1.2
115.35912	1.2
121.02856	3.9
122.03629	1.9
123.00810	1.4
123.04414	17.0
125.02343	74.5
125.86841	1.3
126.02671	3.0
131.03377	1.8
133.02844	3.6
134.03619	5.4
135.04413	5.8
137.02345	36.6
139.03908	5.0
145.02872	15.3
146.03586	4.1
149.00899	2.7
149.02347	7.2
149.04459	18.2
150.03178	1.4
151.03929	10.0
157.06444	1.3
159.04401	10.0
160.05121	2.3
161.02344	4.2
161.06003	9.2
163.03851	2.6
164.01047	2.5
165.01817	5.7
167.03453	1.5
167.04877	1.3
169.01329	2.3
173.06032	2.3
175.03923	3.0
175.07558	1.8
177.01830	2.0
178.02678	3.6
179.03401	5.4
183.04515	1.3
185.06038	4.9
187.03923	6.1
187.11243	1.7
188.04781	3.4
201.05527	3.6
202.06184	1.8
203.07088	17.7
205.04996	7.4
211.03818	1.8
211.13371	2.8
221.08191	3.1
223.13351	32.5
227.07074	6.1
229.05116	2.2
229.08783	1.9
245.08165	15.5
253.05014	9.6
267.09665	2.3
267.12387	20.8
268.12759	2.0
271.06116	30.8
272.06314	1.9
289.07193	100.0
290.07535	7.1
329.14011	2.8
345.17084	7.4
389.15948	3.7
401.15964	4.4
407.17581	1.3
433.19846	3.3
435.17776	1.9
495.20084	5.4
539.19507	9.6
540.19299	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72861	1.3
57.03331	1.3
58.00520	1.3
59.00955	1.4
59.01252	27.7
70.03707	2.1
70.04115	6.8
71.01254	9.5
72.99184	2.1
73.02831	4.1
75.00757	3.9
83.01273	2.5
85.02813	6.4
86.22602	1.3
87.00768	2.0
89.02323	5.5
93.03310	2.3
95.01266	2.2
99.00759	2.6
101.02336	2.7
107.01237	1.2
108.02077	1.2
109.02834	5.4
111.04414	1.4
113.02338	4.3
118.50738	1.2
119.03418	2.4
119.04906	2.0
121.02845	12.0
122.03647	3.1
123.00799	2.6
123.04428	1.6
125.02347	12.3
133.02832	2.6
134.03621	4.0
135.04408	4.9
135.90273	1.2
137.02351	5.8
138.03020	1.2
139.00325	3.7
141.01880	1.5
144.60645	1.2
145.02888	1.7
146.03723	1.5
147.04428	7.0
149.04494	19.2
158.03627	1.6
159.04504	1.6
161.02292	1.8
161.05936	4.4
163.03903	4.3
165.05496	14.8
166.99780	4.9
167.03305	1.4
169.01335	9.5
173.05951	1.5
177.01871	2.0
178.02594	2.3
179.03450	2.3
179.07063	6.1
181.05055	3.5
183.13718	1.7
195.06590	3.7
203.07175	1.6
209.04451	4.7
209.08141	1.3
211.13338	23.1
212.13786	1.4
219.06534	1.8
225.05547	2.2
237.82875	1.4
238.06319	4.0
239.07144	3.9
240.04152	2.1
243.15965	4.8
253.05045	1.3
253.09238	3.6
254.05740	9.2
255.06546	5.5
257.08200	1.6
259.13437	4.5
265.08676	2.1
266.05856	6.9
267.06659	6.6
268.07349	3.3
269.04745	2.1
269.08249	5.5
270.09021	2.4
280.07355	3.0
281.08112	4.8
282.08896	8.5
283.09616	2.5
286.04932	1.6
289.07083	2.3
293.08209	2.0
294.08942	4.5
295.09836	11.5
296.10458	1.7
297.03995	2.6
297.11295	1.7
298.04993	1.8
307.09668	2.2
308.10138	1.4
309.07962	1.9
309.11334	5.1
311.09204	2.2
312.10437	1.4
313.10785	2.8
314.07999	7.8
324.09784	2.6
325.10892	2.7
327.12454	3.8
335.22211	2.9
339.12335	3.4
345.17178	6.6
382.12839	1.6
387.14639	3.7
403.17596	2.0
421.17981	1.6
431.14859	1.4
436.72403	1.6
445.16159	1.8
447.22369	2.2
449.16010	11.1
463.17770	3.3
475.17560	4.7
476.14597	1.5
479.17126	6.3
479.32071	1.9
491.17093	8.8
492.17349	1.8
494.19446	8.2
495.20190	1.6
506.19431	10.0
509.21799	88.3
510.22168	16.9
521.21832	100.0
522.21991	19.1
539.34344	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73695	1.5
51.93686	1.5
52.88155	1.4
57.03328	13.0
58.49941	1.4
59.01252	100.0
61.98711	7.3
69.03313	1.7
71.01258	13.3
71.60800	1.7
72.99192	3.1
73.02810	11.8
75.00765	3.1
81.03347	3.7
83.01260	9.2
83.04902	3.7
85.02806	8.3
87.00768	5.0
88.98706	1.7
89.02319	19.2
93.03345	2.4
95.01274	4.6
95.04880	2.5
97.02840	5.2
97.06445	2.5
99.00742	2.7
99.04392	2.6
100.86834	1.6
101.02336	6.5
103.00248	2.2
107.01282	4.3
107.04925	2.2
107.13477	1.7
109.02843	20.4
109.06447	1.5
111.00771	5.3
113.02330	6.7
119.03383	1.8
121.02852	10.0
123.00771	16.3
123.04403	11.9
124.01584	4.0
125.02339	77.7
126.02709	2.3
128.69893	1.5
131.03381	7.4
133.02881	14.0
134.03616	3.4
135.04428	20.4
137.02342	34.2
139.00282	2.2
139.03909	4.6
140.01054	5.0
141.01865	2.2
145.02841	14.0
146.03627	3.3
149.02562	9.2
149.04468	71.8
150.03107	2.4
151.00313	9.5
151.03931	13.8
152.00896	2.2
159.04401	7.9
160.05212	2.2
161.02348	35.8
161.05989	18.5
161.13286	3.3
162.06779	6.9
163.03926	4.5
163.07544	2.4
165.01840	6.8
165.59093	1.5
168.00529	3.4
169.01358	19.5
170.01668	1.6
173.05997	2.2
174.03241	1.7
175.03960	1.9
175.07590	3.5
179.03458	10.5
183.02866	1.7
183.04424	3.9
185.06018	5.1
187.03957	7.0
188.04642	3.0
191.05531	2.8
201.05508	8.5
202.06206	1.8
203.07094	18.6
205.05067	4.9
207.10120	2.6
209.06055	2.7
211.03957	2.5
211.13512	1.7
212.04668	2.0
219.06570	2.0
223.13342	37.1
224.13576	2.2
225.05643	1.8
227.07115	6.0
229.05142	2.1
230.02142	2.7
245.08168	18.4
249.11327	2.0
253.05048	9.3
259.13403	2.1
267.12360	42.6
267.70514	1.9
268.12744	2.3
271.06116	30.1
272.06509	3.3
273.83688	1.6
281.81909	1.5
289.07178	58.0
290.07532	5.5
317.17603	2.0
322.24918	1.7
347.64246	1.7
351.12216	2.5
389.16110	4.8
401.15942	9.1
407.18655	2.1
433.20035	5.6
435.17975	3.1
442.11111	2.9
447.23584	3.5
465.24817	3.2
477.19247	1.8
495.20230	13.7
503.31931	2.0
507.18814	11.4
508.18863	2.6
539.21027	71.3
539.28864	31.6
540.21497	10.3
540.28778	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98739	1.1
57.03336	2.2
57.31472	1.3
58.75224	1.5
59.01256	13.2
65.03848	1.8
67.01774	2.1
69.03344	1.4
69.81844	5.9
69.82263	2.5
71.01255	11.4
72.99184	2.1
73.02818	2.8
75.00768	8.7
84.85484	1.1
85.02824	11.9
87.00744	2.4
88.03893	1.4
89.02345	4.3
93.03368	6.3
95.01274	2.9
96.95894	2.9
98.20592	1.5
101.02335	5.1
108.02050	2.1
109.02825	9.9
111.00777	2.6
113.02335	5.6
117.03304	1.4
119.03414	2.5
120.45680	1.2
120.96218	1.1
121.02848	100.0
122.03655	2.4
123.00790	3.3
123.04379	2.6
125.02356	8.3
133.02861	14.4
134.03590	2.9
135.04433	7.9
137.02348	58.8
138.03151	7.4
139.03906	26.0
141.01846	1.3
145.02867	2.3
147.02965	1.4
149.02332	7.8
150.03145	24.7
151.03925	3.6
153.05502	4.2
161.02350	1.9
162.03259	1.5
163.03951	10.8
164.04691	2.7
165.01855	47.4
165.04077	2.2
165.05484	23.4
166.02443	2.0
166.06062	2.0
166.99876	1.4
167.03395	1.7
169.01337	5.3
177.01942	1.4
179.03404	5.5
180.04216	43.2
181.04868	3.6
181.08643	2.3
187.83568	1.3
195.06570	51.6
196.06914	2.4
197.06017	2.6
197.51628	1.3
213.05472	2.7
241.05064	3.3
257.04614	2.3
269.04565	29.8
270.04990	2.6
272.06915	1.9
284.06808	4.4
287.05798	2.3
287.09290	4.8
299.09280	7.8
302.08069	3.2
317.10300	91.4
318.10571	8.6
329.14188	1.5
335.07849	2.0
335.11395	10.4
343.11081	1.4
343.14246	1.7
377.16043	4.7
391.13947	3.2
479.21063	1.6
491.19254	18.6
492.19681	2.2
521.61279	1.4
539.22833	16.0
539.34448	2.8
540.22546	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	539.177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81579	0.9
57.18058	0.7
59.01255	71.8
64.94719	0.8
67.01757	0.9
69.03317	0.9
69.24471	11.3
71.01258	16.3
72.99161	1.2
73.02842	1.5
74.02351	1.6
74.90936	0.8
75.00748	5.3
75.70809	0.8
85.02829	9.8
87.00727	2.3
88.98708	1.3
89.02328	15.8
95.01253	3.0
99.00745	2.5
101.02322	11.4
107.01285	2.4
111.00754	1.6
113.02319	11.3
115.00243	1.3
119.03426	5.7
121.02847	2.2
123.00782	5.7
124.01508	1.2
125.02342	17.5
129.01801	1.5
131.31204	0.8
132.02943	1.7
136.98763	1.1
137.02379	2.3
138.73071	0.8
139.00262	2.6
139.03984	1.1
140.01042	1.8
141.01834	0.8
147.08057	1.5
149.02341	0.9
150.03128	3.4
151.00279	2.9
151.03920	1.1
153.01794	1.3
154.99669	0.9
163.03969	1.1
163.11205	58.5
164.11534	2.2
164.69264	1.1
165.01822	2.0
165.04176	1.2
165.05431	5.0
166.99780	1.2
167.92395	0.9
168.00554	3.1
169.01349	18.3
177.03944	1.1
179.03453	1.3
179.05536	1.2
180.04250	1.5
195.06534	3.5
203.08284	1.5
207.10197	1.0
211.02426	12.9
245.09108	1.5
249.06274	1.1
267.07211	11.0
269.04373	1.1
271.04578	10.1
272.05081	1.1
291.07220	1.2
317.10291	1.8
335.06158	1.5
369.14902	0.9
387.16629	71.6
388.16840	6.7
479.15530	4.5
495.16190	1.3
521.16394	3.9
539.17670	100.0
540.18091	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	539.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12306	1.2
53.72078	1.0
57.03333	1.2
59.01248	12.6
59.31027	1.1
69.03297	2.5
69.44180	10.9
71.01237	6.1
72.99163	1.8
75.00735	3.7
85.02834	7.8
87.00771	2.0
89.02310	1.3
90.03809	1.1
93.03332	1.8
95.01223	1.7
96.60744	1.2
96.95916	1.3
97.02832	1.3
99.00722	2.5
101.02308	2.7
107.01283	8.5
109.02832	2.8
111.00764	2.4
113.02314	4.0
121.02827	20.4
123.00790	8.9
124.01573	1.3
125.02333	46.5
126.02664	1.3
131.17635	1.1
135.04387	3.8
137.02328	3.5
139.00243	4.9
140.01064	1.7
141.01813	1.4
151.00238	6.5
163.07552	10.2
163.11188	1.5
165.05482	52.0
166.99745	1.4
168.00526	3.9
169.01331	58.5
179.03377	4.4
191.01936	1.3
207.06508	3.1
211.02315	1.8
225.07631	22.5
313.05640	23.2
314.05780	1.5
317.06384	1.5
377.12540	2.7
387.12894	4.7
421.42715	1.4
445.13968	1.3
461.10855	3.0
477.13605	2.8
479.12000	8.0
521.12762	12.6
522.13275	1.7
539.14038	100.0
539.22235	3.7
540.14307	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	539.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	3.5
57.01529	1.0
57.03314	1.2
59.01250	21.0
60.37870	1.1
61.98697	1.6
65.00184	1.3
67.01754	4.2
68.86434	0.9
68.99652	1.1
69.25856	12.8
69.26142	1.0
69.34042	0.9
71.01255	8.9
72.99192	1.5
73.02824	4.3
81.03336	2.1
83.01272	3.1
85.02826	4.2
87.00764	2.2
87.49905	1.0
89.02315	4.8
95.01267	3.7
97.02850	1.9
97.06430	1.3
99.00751	5.3
101.02334	3.0
107.01263	4.6
108.02084	1.2
109.02838	2.1
111.00768	23.6
113.02322	3.0
119.08565	1.7
120.64374	1.0
121.02795	2.2
123.00772	12.1
124.01535	1.7
125.02341	31.0
125.05987	4.6
126.02709	1.4
131.03415	3.0
133.02838	3.0
134.03618	3.3
135.04407	2.0
135.08012	1.1
136.98781	1.1
137.02330	2.7
139.00276	34.4
139.03873	1.2
140.01057	5.4
141.01830	9.4
149.04469	24.0
150.03134	1.0
151.00272	2.8
151.07561	1.1
152.01044	3.4
153.01784	1.6
161.04475	0.9
161.05991	3.9
162.06755	1.3
163.07541	3.6
163.76317	1.0
165.01883	1.7
165.09106	4.6
165.98970	2.0
166.99774	68.6
168.00551	9.0
169.01335	34.1
170.01653	2.4
177.01819	1.7
178.02617	3.5
179.07057	19.7
180.07526	1.3
181.08643	1.8
183.06551	1.7
185.00856	18.2
189.05447	1.1
195.06570	6.0
196.06854	2.3
207.06567	41.5
208.06979	1.9
209.08127	31.8
210.08437	1.7
211.02426	13.2
211.13329	1.5
223.06030	5.2
224.06813	15.5
225.07649	100.0
226.08020	5.6
233.08249	5.4
249.07733	1.2
251.09288	2.1
271.04565	23.6
277.07895	1.1
313.05667	13.9
314.06003	1.6
317.21051	5.6
327.16071	1.2
331.06735	7.5
345.17145	3.1
359.07803	1.2
371.13586	10.6
376.07211	1.2
377.07697	1.7
387.12946	27.1
388.13220	1.6
389.16367	1.9
455.08200	8.7
495.12027	1.2
497.65826	1.1
521.13043	2.3
539.14063	68.8
540.14728	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	539.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28261	1.1
56.98414	0.9
57.03329	1.0
59.01248	14.8
61.37458	1.1
69.60561	4.7
69.60986	3.5
71.01260	5.3
72.99184	1.4
73.02816	1.6
75.00729	2.9
80.06478	1.0
85.02814	7.5
87.00742	1.4
89.02314	2.2
93.03336	1.7
95.01215	1.8
96.95860	3.6
97.67729	1.0
98.20513	2.3
99.00729	1.1
101.02319	2.3
107.01286	5.3
109.02798	2.9
111.00743	1.8
113.02290	4.1
121.02077	1.2
121.02856	17.1
122.03577	2.3
123.00794	6.9
125.01463	1.9
125.02341	35.5
135.03528	1.4
135.04416	12.6
137.02310	2.7
137.05965	1.1
139.00188	3.1
140.01028	2.0
141.01830	1.5
151.00322	6.6
151.03868	1.6
161.02174	1.0
163.07541	10.5
163.11128	4.1
165.05484	70.6
166.02492	1.1
166.05832	2.2
166.99747	1.3
168.00591	2.7
169.01340	51.7
170.01668	2.0
171.84499	1.1
179.03441	12.1
207.06566	5.9
211.02303	2.5
225.07637	55.6
226.07904	2.9
250.42551	1.0
267.06982	1.3
271.04431	1.2
273.07462	1.3
313.02399	1.9
313.05658	24.4
314.05881	2.5
317.10178	1.2
335.07803	8.1
369.11777	2.3
387.12842	34.5
387.16705	2.7
388.13086	2.4
450.93729	1.0
479.11829	9.4
480.12350	1.5
506.68762	1.0
521.12872	10.8
539.13843	100.0
540.14246	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	537.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27205	0.6
53.59378	0.7
55.01759	3.5
57.03325	13.3
58.00465	6.4
59.01252	79.2
60.01582	0.9
60.99165	1.1
61.05794	0.6
69.03326	2.8
69.34693	4.0
69.35120	2.7
71.01256	80.5
71.04901	1.5
72.01582	1.2
72.99175	5.2
73.02821	22.2
75.00739	3.1
81.03336	1.2
83.01259	8.6
85.02827	32.2
86.03217	0.7
87.00749	6.1
87.04383	3.1
88.98682	4.0
89.02319	49.9
90.02625	0.8
95.01247	5.8
96.95853	1.2
97.02835	1.2
97.06486	1.1
99.00751	6.9
99.04410	1.2
99.91846	0.7
101.02326	51.6
102.02670	1.4
108.02012	0.8
111.00758	1.5
111.08021	2.1
113.02330	32.6
113.09594	2.3
114.02648	1.2
119.03393	24.8
121.02795	1.2
121.10112	1.8
123.00766	1.0
123.08032	6.5
124.01601	1.1
125.02321	7.2
125.05935	0.9
125.09598	1.0
127.11181	3.8
129.01889	1.4
129.09109	1.3
131.03397	1.6
135.04457	1.0
137.09648	4.0
137.10593	0.7
139.00327	0.7
139.11195	1.5
143.03409	4.8
143.10687	3.0
144.50554	0.8
145.02800	0.8
149.04433	1.1
149.09624	12.7
155.10704	2.7
157.12395	0.8
159.02878	5.6
161.04474	36.9
162.04807	1.1
164.04723	1.9
165.09137	1.2
166.99890	1.0
167.10690	11.5
168.00575	1.1
169.01341	6.5
169.12163	1.0
173.11821	2.0
179.05580	7.5
179.07018	1.1
179.10603	0.8
183.13835	3.4
185.11673	1.1
187.13310	4.0
191.01707	0.8
201.14944	3.0
205.03476	1.8
213.14964	3.8
217.14352	6.3
229.14334	0.8
231.15984	100.0
232.16341	6.3
255.02925	0.8
257.08218	2.0
305.16068	34.5
306.16370	3.3
335.17072	5.4
343.60641	0.7
349.18634	1.7
357.26651	1.2
363.20105	1.5
375.27518	21.5
376.27838	2.9
424.31052	0.7
519.31726	1.9
533.93347	0.7
537.12445	1.8
537.20636	2.6
537.32806	62.7
538.33020	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	537.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14918	0.7
53.49772	0.6
55.01757	2.9
57.03326	12.1
58.00460	4.9
59.01252	59.2
69.03327	3.0
69.40141	0.7
69.40446	6.9
71.01254	62.2
72.99164	3.0
73.02821	20.5
75.00754	1.6
83.01256	6.6
85.02824	25.2
85.46964	0.7
87.00748	3.0
87.04386	2.0
88.98681	1.4
89.02316	31.8
90.02643	0.9
95.01272	5.1
97.02818	2.0
99.00750	5.1
99.04415	1.5
101.02323	37.2
102.02632	0.7
111.00789	0.9
111.08022	1.9
113.02333	26.7
113.09600	1.6
117.72095	0.7
119.03389	13.8
123.08056	6.7
125.02366	4.9
127.11175	3.2
129.01842	1.2
131.03317	1.6
137.09605	4.6
139.07573	0.8
139.11157	1.4
143.03395	4.0
143.10674	2.0
143.13206	0.8
149.04482	0.8
149.09639	13.6
153.12759	1.1
155.10672	2.0
159.02855	3.8
161.04466	37.1
162.04802	0.9
162.27475	0.9
164.04710	1.3
165.09164	1.3
167.10695	11.6
168.10985	1.2
169.01317	2.8
169.42677	0.7
173.11745	1.2
179.05530	4.3
179.07001	1.2
183.13844	3.0
187.13339	3.9
199.13475	0.9
201.14908	1.7
205.03461	1.4
213.14899	2.2
213.94240	0.8
217.14456	4.0
231.15982	100.0
232.16318	5.8
257.08292	1.3
264.58447	0.7
305.16074	41.6
306.16431	2.6
307.33920	0.7
335.17017	5.1
375.27536	12.7
376.27844	1.0
416.31213	1.0
519.31512	2.8
533.45831	0.8
537.12384	1.6
537.20099	1.4
537.32794	34.1
538.33179	5.3
540.47485	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98508	0.5
58.95963	0.6
59.01250	3.4
65.72100	0.5
70.97554	1.5
89.02335	0.9
91.03864	1.6
93.03289	0.7
94.63311	0.5
95.04897	2.1
98.10162	0.7
104.57861	0.6
105.03342	9.4
117.03338	1.0
119.04884	1.1
121.02872	0.9
123.04420	1.5
132.02103	5.4
133.02853	52.3
134.03650	25.6
135.04442	10.8
136.01590	0.7
136.04781	0.8
137.02339	7.7
139.03938	2.0
141.12741	0.7
147.04440	2.9
148.05168	1.0
149.05945	4.2
150.03122	2.3
160.01570	25.7
160.05246	0.7
161.02356	18.8
161.06001	2.4
162.02855	1.4
171.08188	0.9
171.10042	0.6
175.03926	52.9
176.04291	3.5
177.01801	4.9
178.02666	6.8
179.03407	9.6
193.05003	15.6
194.02171	1.0
194.05417	0.9
269.21298	1.5
287.22299	6.5
288.22733	1.2
348.52856	0.5
361.20135	2.5
362.20483	0.6
424.74039	0.7
431.24319	5.7
432.24789	1.5
445.25919	11.0
445.32056	0.6
446.26221	1.4
449.25430	2.0
463.27005	41.7
464.27280	6.7
522.28302	2.5
530.29529	0.8
537.30676	100.0
538.31036	19.4
538.39447	0.9
560.64850	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3071
Annotation	Integristerone A 25-acetate
Peak:m/z	Relative Intensity
59.01252	100.0
69.49416	9.3
69.49837	2.9
78.95764	2.6
81.15220	1.6
98.20619	2.5
125.09590	1.7
140.46936	1.4
152.99484	2.2
161.02411	1.3
171.10181	8.6
175.03978	2.5
181.53568	1.3
209.11642	1.5
211.13371	1.9
233.15405	2.9
249.14955	3.6
359.38867	1.5
459.27649	10.7
460.27756	1.6
477.28564	9.1
537.11591	1.6
537.31067	3.0
563.91223	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2473
Annotation	Kenusanone C
Peak:m/z	Relative Intensity
50.28118	0.9
50.34310	0.9
57.03325	1.9
58.01089	1.0
59.01254	13.8
61.98709	4.7
63.98655	0.9
64.52884	1.1
65.35596	0.9
69.03310	2.2
71.01257	3.5
71.24488	2.4
71.62266	1.0
75.16323	0.9
78.47996	1.1
78.95781	45.9
81.03320	2.4
82.73748	0.9
83.01250	1.1
85.02818	2.5
89.02336	2.1
95.01257	1.8
96.96859	5.2
97.02801	1.2
101.02327	1.6
107.01308	1.5
109.06485	2.0
111.00778	1.3
111.08033	16.2
123.00775	6.9
124.01576	1.8
125.02340	21.9
126.02686	1.3
133.02908	1.2
135.04407	1.3
137.02333	4.0
139.07515	1.3
149.02365	1.1
150.03123	3.4
151.00298	1.8
151.11223	1.0
152.99496	64.6
153.99855	2.2
161.02310	1.4
164.04788	1.0
165.01849	2.6
165.09053	2.3
166.99767	4.3
168.00525	11.7
169.01347	20.7
169.11000	1.2
169.12247	7.2
171.00584	3.1
178.02576	1.4
179.10704	10.3
197.11778	69.2
198.12112	4.8
199.13307	1.2
205.08594	1.0
211.02477	1.3
211.13338	4.5
223.09721	18.2
224.10017	1.2
227.03281	6.8
227.12959	1.4
245.04361	2.8
245.86011	0.9
247.09746	2.2
263.20178	2.3
271.06155	2.0
288.06415	2.9
291.19635	8.7
309.20761	32.0
310.20905	3.1
313.05762	4.6
319.02087	1.0
439.08850	1.2
440.07285	3.5
445.20151	3.1
537.16107	24.8
537.24738	100.0
538.16638	4.9
538.25079	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	537.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	2.3
70.98092	1.1
71.01247	0.5
73.29301	0.4
77.03841	0.8
84.16805	0.3
89.02297	0.8
89.03849	0.6
91.03868	1.4
91.11796	0.4
92.27461	0.4
93.03304	0.5
95.04904	2.5
99.78773	0.4
105.03345	8.3
117.03361	1.3
119.04913	1.3
121.02850	1.6
123.00767	0.4
123.04425	0.8
132.02084	4.4
133.02858	47.9
134.03656	23.7
135.04439	10.8
136.01556	0.7
136.04715	0.4
137.01392	0.5
137.02353	7.6
139.03917	2.5
145.06613	0.4
147.04430	2.4
149.05959	5.1
150.03120	1.7
151.03999	0.4
151.07564	1.3
160.01573	26.1
160.05193	1.4
161.02368	18.5
161.05994	2.5
162.02911	1.4
171.04436	0.5
171.08136	0.5
175.03929	49.6
176.04243	2.7
177.01859	6.1
178.02641	7.0
179.03412	7.6
193.04997	14.2
194.02190	1.1
194.05426	0.6
195.06566	2.8
219.06540	0.6
261.14917	0.4
269.21146	1.1
287.22308	6.5
288.22665	0.9
307.65106	0.4
333.17117	0.6
347.18579	0.8
361.20172	2.7
431.24390	6.2
432.24579	1.2
445.25931	10.8
446.26266	1.2
449.25400	2.2
463.27017	40.8
464.27289	5.6
491.27338	0.5
522.28308	2.8
537.30688	100.0
538.31049	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	537.219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	2.3
59.01254	55.2
66.73456	0.8
68.99694	1.2
69.03346	1.6
71.01256	15.6
72.99184	4.7
73.02826	1.5
75.00751	10.8
83.01273	1.4
84.02039	0.6
85.02828	15.7
87.00739	5.3
89.02335	3.7
91.03910	0.9
95.01262	3.1
99.00774	8.1
99.04401	1.1
101.02348	2.1
103.00247	1.3
107.01280	1.8
108.96788	0.7
111.00789	1.8
113.02335	17.4
115.00269	2.3
117.01832	1.8
123.00762	5.7
125.02348	8.2
125.59950	0.7
129.01859	1.6
131.03453	0.6
139.00262	1.6
140.01099	2.1
151.00270	4.0
154.15411	0.6
157.01404	0.8
168.00571	2.2
169.01332	10.7
175.02415	1.8
207.13866	1.7
209.11809	2.9
211.02481	4.2
225.14903	1.4
227.12846	8.9
228.13260	0.7
229.78116	0.8
231.05145	0.7
249.06140	16.8
250.06480	0.7
251.12955	0.9
267.07230	8.0
268.07898	0.7
269.13986	1.2
271.04614	7.6
287.15039	4.8
309.08237	5.3
313.05829	0.7
331.06708	1.5
343.17804	0.8
361.18710	2.0
459.18762	0.8
475.21927	1.1
477.19949	1.9
479.08469	0.8
501.20145	1.0
519.20862	8.2
520.21393	1.3
537.21631	100.0
538.22113	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	537.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.1
59.01249	12.0
61.15252	1.2
69.88860	5.1
69.89288	2.1
71.01245	3.6
71.48379	1.2
85.02821	2.4
87.00739	1.6
89.02337	3.7
101.02340	3.4
108.02081	2.4
109.02833	2.5
113.02287	1.7
121.02836	4.1
122.03667	1.2
123.04354	1.8
135.04430	3.8
145.02766	1.7
146.03647	3.7
147.04402	6.8
149.02324	2.9
149.06032	1.6
150.03140	4.1
151.03877	1.5
158.03644	4.6
159.04413	11.0
160.05226	18.2
161.05972	11.5
161.53682	1.2
161.65179	1.2
163.03972	6.9
163.06036	1.7
164.04691	6.9
171.36395	1.3
173.06015	3.7
173.74208	1.3
175.07565	13.9
176.04552	1.2
177.05515	6.8
178.06248	3.8
179.07004	1.8
191.07155	1.1
205.07127	2.0
225.05515	2.8
226.06294	1.8
237.05533	2.7
238.06329	4.2
239.07086	4.3
241.08600	2.1
253.04901	2.2
254.05870	6.0
255.06497	5.7
265.04971	1.4
265.08813	2.4
266.05817	9.9
267.06647	22.0
269.08148	13.5
270.08862	2.8
281.08194	24.5
282.08865	6.9
283.09552	1.6
284.10559	1.4
296.10522	1.3
314.07886	4.4
316.09225	2.0
328.09442	2.5
362.08228	1.3
371.14954	2.7
429.13379	3.2
430.13986	1.8
432.15710	1.9
435.22266	3.6
444.15881	5.7
447.18149	3.9
451.54605	1.2
459.18613	8.0
462.16586	1.3
474.16837	5.0
477.19150	68.0
478.19766	9.9
489.19223	100.0
490.19547	15.0
507.20261	4.9
519.20032	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.4
56.23620	0.3
57.03304	0.9
58.00468	0.4
59.01252	11.4
65.00174	0.3
65.03829	4.8
67.01738	1.8
69.03304	0.3
69.41571	2.6
69.41993	0.6
69.54635	0.4
71.01257	7.0
72.99187	0.8
73.02824	1.0
75.00748	0.6
80.46300	0.3
83.01266	0.8
84.02129	0.4
85.02831	2.4
87.00748	0.6
89.02323	7.5
91.01772	12.5
92.02122	0.6
95.01267	0.6
97.02816	0.6
98.20086	1.5
99.00739	1.2
101.02338	3.9
109.02837	27.9
110.03172	1.1
113.02325	2.5
119.03403	1.4
120.39422	0.3
121.02850	0.4
121.10095	0.6
123.00749	0.7
125.02332	2.3
130.00880	0.3
131.03383	0.6
135.00781	38.9
136.01114	1.3
137.02318	0.4
139.00336	0.4
143.03313	0.5
149.04454	1.1
153.01843	100.0
154.02206	3.7
157.12288	2.4
161.04510	0.5
168.00531	0.4
169.01337	1.5
177.01816	0.4
183.13791	0.3
187.13300	0.7
191.05605	0.4
217.14438	0.5
223.42078	0.4
233.06639	0.7
243.06770	0.5
245.86014	0.4
293.08954	0.6
297.06296	0.4
345.27374	0.4
375.27533	6.9
388.60037	0.3
429.10309	4.4
496.37872	0.3
537.15814	2.8
537.25031	0.7
537.32764	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60334	0.2
55.01747	0.3
57.03322	0.5
59.01253	9.7
71.01258	3.5
73.02844	0.5
75.00749	0.7
83.01254	0.4
85.02824	2.0
87.00750	0.5
87.65656	0.3
89.02315	1.9
95.01289	0.6
97.02869	0.3
98.19792	0.9
99.00781	0.5
101.02320	1.9
108.02048	0.4
109.02872	0.6
109.72420	0.3
113.02348	1.8
121.02845	7.2
122.03659	0.7
123.00800	1.0
123.04390	0.8
124.01569	1.1
125.02354	5.7
126.02827	0.3
126.31329	0.3
129.01854	0.4
135.04428	0.9
136.05203	0.8
137.02367	1.2
137.06012	0.5
138.03151	0.6
139.67836	0.3
148.01590	0.3
149.00813	0.6
149.02426	1.6
149.06015	1.2
150.03157	0.9
151.03914	1.9
161.02336	0.3
161.06010	0.3
163.03922	1.4
164.01096	1.1
164.04750	1.9
165.01869	9.0
165.03944	0.5
165.09134	0.4
166.02649	15.7
167.03426	9.4
168.04150	1.0
169.01428	0.6
180.04227	6.8
180.05763	0.4
181.05003	21.1
182.05394	1.3
193.08707	0.3
195.06566	7.8
196.07030	0.4
209.08150	3.4
221.08138	0.6
225.05272	0.3
234.30116	0.3
242.06039	0.4
245.08084	0.4
247.06079	0.4
253.05171	1.2
254.05795	1.2
255.02966	0.5
257.08063	0.4
265.07187	1.2
266.41434	0.3
267.06552	0.4
269.05124	0.3
269.08191	9.1
270.05399	6.7
270.08456	0.9
271.05762	0.6
283.09860	0.5
285.07690	19.9
286.08035	1.5
289.07156	1.3
300.10052	20.0
301.10471	2.3
315.12393	22.7
316.12766	1.5
332.08130	0.4
333.13437	100.0
334.13779	10.3
375.14304	0.3
460.69147	0.4
477.17413	1.1
477.30780	0.6
537.19452	0.8
537.25861	0.9
537.32770	9.9
538.32928	1.0
542.69031	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03347	0.7
59.01253	10.8
69.03313	0.3
71.01257	2.8
72.99207	0.5
73.02843	0.7
75.00773	1.0
83.01295	0.7
85.02821	2.0
87.00771	0.6
89.01883	0.3
89.02306	1.4
93.03377	0.3
95.01294	0.6
97.02881	0.3
98.20596	0.5
99.00785	0.5
101.02320	1.9
103.56828	0.3
108.02066	0.6
109.02857	0.6
112.93508	0.3
113.02373	1.3
119.03442	0.5
119.04986	0.5
121.02845	7.0
121.03666	0.5
122.03658	0.7
123.00774	0.8
123.04450	0.4
124.01575	0.9
125.02337	5.6
125.03206	0.4
129.01859	0.6
135.04433	1.1
136.05225	1.3
137.02379	1.1
137.06029	0.5
146.03665	0.7
147.04472	0.3
149.00809	0.5
149.02374	2.0
149.04434	0.3
149.05991	0.8
149.61597	0.3
150.03210	0.5
151.03969	1.1
161.04578	0.4
161.06030	0.5
162.03017	0.3
163.03972	1.2
164.01071	0.9
164.04720	1.5
165.01846	7.8
165.04041	0.8
165.05313	0.3
165.09087	0.6
166.02623	15.8
167.03419	10.1
168.04131	0.7
169.01337	0.5
170.97261	0.3
180.04211	7.0
180.05763	0.5
181.04990	23.2
182.05354	1.2
187.22945	0.3
195.06557	7.4
197.05989	0.4
203.13013	0.3
209.08124	3.1
217.13045	0.3
221.08092	0.5
225.05440	0.3
247.06015	0.3
252.04346	0.4
253.05037	1.6
254.05838	0.9
255.06256	0.4
265.07166	0.8
267.06564	0.6
269.08221	9.8
270.05356	6.5
270.08374	0.7
271.05832	0.7
275.86722	0.3
285.07706	18.8
286.08014	2.0
289.07199	1.2
300.10040	22.0
301.10382	2.3
305.23563	0.3
315.12387	23.1
316.12640	2.1
333.13437	100.0
334.13751	10.1
477.17554	0.9
477.30530	0.9
537.19971	0.6
537.25830	1.0
537.32721	10.7
538.32996	0.7
543.24866	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	3.4
58.00463	2.4
59.01255	60.2
69.03329	16.6
69.55276	11.4
69.98111	1.2
71.01255	60.4
72.01596	1.9
72.99184	3.1
73.02823	8.2
75.00745	3.2
81.03321	5.1
83.01249	4.2
85.02813	13.6
87.00730	2.1
89.02320	75.0
91.01780	1.5
93.03304	1.5
95.01256	8.6
97.02833	14.7
99.00763	13.6
101.02329	19.0
107.01265	5.5
108.01369	2.7
108.02058	40.6
109.02840	63.6
110.03170	2.0
113.02339	12.5
115.03896	4.8
119.03400	4.4
121.02846	15.0
123.00769	5.0
123.96072	1.6
125.02342	42.0
131.03392	5.6
135.00763	9.1
137.02364	25.4
143.03404	4.0
149.02330	4.6
149.04466	7.8
151.00293	2.7
152.01056	4.0
153.01852	100.0
154.02153	3.7
161.04491	2.8
167.03374	2.8
169.06487	2.8
177.01880	2.5
179.05515	2.2
187.13344	1.3
191.05528	6.2
195.02835	1.7
197.06058	20.6
213.05542	4.0
215.07117	3.9
223.09752	1.4
233.06631	28.4
234.04485	1.3
243.06572	28.8
267.03165	1.8
293.08771	17.4
294.09033	1.8
297.06235	9.7
315.08743	2.5
375.27502	5.6
407.41940	1.5
429.10364	43.0
430.10629	4.1
430.81281	1.4
519.31647	1.8
537.17249	1.6
537.25513	4.1
537.32855	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	537.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	3.8
60.99174	16.1
64.21081	0.9
69.03316	1.0
71.01247	1.9
72.80137	1.0
83.01294	1.0
88.98676	100.0
89.99017	1.1
98.19765	2.0
98.53905	1.0
101.02309	1.8
107.01263	1.8
109.02828	1.2
117.44901	1.1
121.02854	1.5
125.02363	1.5
134.20174	1.0
144.71370	1.0
151.00281	6.5
154.17012	0.9
154.41829	1.2
163.00290	2.6
169.01347	1.0
178.99744	3.3
209.33121	1.1
229.63075	1.1
243.02911	3.9
255.02939	8.9
271.02466	17.4
272.02866	2.0
283.02661	1.8
300.02759	38.9
301.03494	30.4
302.03790	2.5
447.09299	61.3
448.09622	7.6
537.19592	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	2.0
59.01250	12.5
59.28313	0.9
61.98701	1.5
65.00207	2.2
69.03328	0.9
71.01257	3.1
71.60575	1.3
73.92255	0.9
78.65652	1.0
78.95779	11.7
81.03335	8.1
83.01266	2.0
85.02833	2.1
89.02307	1.2
89.28630	0.8
90.00541	1.1
91.01779	2.4
93.03321	1.4
95.01242	1.4
99.08048	1.8
107.01262	1.5
108.02071	3.7
109.02869	1.0
111.00805	1.0
111.08046	3.5
113.02334	1.2
122.03633	1.8
123.00779	8.2
123.08025	4.3
124.01575	2.7
125.02350	24.0
125.06007	6.9
133.02817	1.2
135.00781	2.8
135.04410	1.1
136.05130	1.0
137.02350	6.9
139.00259	1.2
139.03909	1.5
145.02745	1.6
149.02347	3.5
150.03119	4.0
151.00250	1.4
152.01074	3.1
152.99501	12.4
164.01027	1.4
165.01881	7.4
165.09129	42.3
166.09505	1.3
166.99759	6.8
168.00577	8.3
169.01323	7.0
169.12257	1.5
179.03468	1.6
190.02692	1.1
191.07033	1.9
197.11783	11.3
209.08142	100.0
210.01662	1.3
210.08455	6.2
211.13365	2.7
215.07086	1.7
217.88240	1.0
223.09673	1.4
227.03380	1.5
228.04372	1.0
233.08212	13.3
239.03429	1.8
243.06602	19.1
244.06763	2.0
245.04280	0.9
251.09114	5.4
267.02948	1.3
267.27335	1.1
269.04608	2.4
270.05276	1.6
271.06183	1.8
275.09305	1.9
288.06494	4.1
291.19791	2.1
309.20724	8.5
385.12811	2.2
392.22537	1.0
440.07376	3.0
537.16022	52.7
537.24750	22.5
538.16565	6.8
538.23779	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21016	1.0
55.01764	1.1
57.03307	1.7
58.00474	1.7
59.01252	54.5
61.98709	1.1
63.96996	1.0
67.01752	1.0
69.03333	15.5
69.30083	10.4
71.01257	55.3
71.16494	1.2
72.99193	4.1
73.02819	10.2
75.00751	4.2
79.01763	1.0
81.03349	4.2
83.01246	4.8
83.04890	1.0
85.02822	11.1
87.00758	3.3
89.02316	53.2
90.02681	1.0
90.89803	1.0
93.03339	1.9
95.01260	5.5
97.02834	15.7
98.20055	4.7
99.00760	11.9
99.04388	1.5
101.02335	10.9
107.01276	4.1
108.02056	40.6
109.02848	26.0
109.03593	1.5
111.00768	2.6
112.25964	1.1
113.02331	8.6
115.03919	6.0
119.03411	0.9
121.02818	2.3
123.00802	2.8
123.04429	1.7
124.01590	1.2
125.02339	45.1
126.02683	1.7
127.03912	1.4
131.03433	5.8
131.04285	1.1
135.00784	10.1
137.02353	3.0
143.03384	2.2
145.02895	2.6
149.02243	1.2
149.04436	5.6
151.00272	1.2
152.01064	55.6
153.01851	32.9
161.04532	1.9
163.03987	1.1
165.01839	1.7
166.05029	1.4
168.00548	1.6
169.01378	5.6
191.05499	3.9
197.05995	2.8
233.06599	18.0
233.08679	1.6
243.06622	5.9
287.22269	1.3
289.07339	1.2
293.08835	11.7
305.00739	0.9
315.07236	1.7
330.49527	1.1
411.09302	2.3
429.10349	100.0
430.10736	7.0
457.89185	1.1
537.20709	3.1
537.31744	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	537.088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03024	1.1
55.01745	1.2
57.03323	4.5
59.01255	21.3
63.02270	2.4
65.00189	5.1
65.03847	1.3
67.01759	2.0
68.99668	2.4
69.36414	11.7
71.01258	14.8
72.99191	2.9
73.02816	3.9
75.00746	3.5
81.03281	1.2
83.01265	5.6
85.02825	19.0
87.00753	2.6
88.09568	1.0
88.98695	5.4
89.02325	8.5
90.14857	1.0
91.01782	1.9
93.03336	3.7
95.01281	6.0
96.95886	1.2
96.99178	2.1
97.02799	1.5
99.00732	3.9
101.02332	7.0
107.01276	7.0
108.02042	3.0
109.02835	12.5
109.99995	3.8
111.00769	5.0
113.02347	7.7
115.05421	1.5
117.03306	1.2
119.03362	2.8
119.04868	1.7
121.02857	5.5
122.61195	1.1
123.00754	9.1
124.01550	2.6
124.98712	4.2
125.02351	8.7
129.01775	1.3
131.04921	1.4
133.02869	3.4
134.03656	1.1
135.00760	4.8
135.04424	4.6
136.01555	1.4
136.98726	2.4
137.02347	29.6
137.99446	1.9
139.00262	9.3
140.01022	1.6
141.01834	3.1
143.04941	2.9
145.02849	2.4
146.03677	1.1
147.02866	2.0
147.04362	2.4
147.64990	1.1
149.00800	3.3
149.02354	6.9
149.06003	1.3
149.99442	3.1
151.00305	20.3
151.03929	1.7
152.01030	4.6
153.01817	4.6
153.98961	2.7
154.99759	6.8
155.05072	1.2
159.04398	6.2
161.02434	5.3
161.04498	2.2
163.00317	5.7
163.03938	2.3
164.00970	1.9
164.98199	2.2
165.01854	15.9
165.05449	1.6
165.43871	1.3
165.98955	4.1
166.99779	3.8
168.00528	2.2
169.01379	8.1
171.04425	4.0
173.02339	2.1
175.03946	5.6
177.01822	4.9
177.99001	2.6
178.99782	14.5
179.03345	1.1
180.00435	1.8
180.04225	10.3
181.01350	1.2
181.04691	1.3
181.98468	3.7
185.02351	1.4
187.03922	9.9
189.01877	4.7
190.02527	1.8
191.01860	3.7
191.03406	2.6
193.01353	5.9
194.01816	1.3
194.99214	3.2
195.06544	4.6
199.03961	3.3
201.01802	3.6
202.02657	2.2
203.03467	15.1
205.01230	1.5
207.03021	2.0
209.02992	2.8
213.01848	2.6
214.02539	1.6
215.03488	8.3
217.01361	5.8
217.05048	2.5
219.02885	3.1
227.03458	2.6
229.01506	1.7
229.84541	1.1
230.02188	1.7
231.02946	11.9
232.03621	3.9
233.00868	1.5
233.04486	3.8
241.01408	2.3
242.02136	2.3
243.03053	10.1
244.03448	1.5
245.00824	1.4
245.04451	1.8
247.02412	2.0
257.00974	1.7
258.01688	2.8
259.02487	8.0
260.03128	1.6
261.03958	3.2
269.00894	2.2
271.02393	10.8
271.04800	1.6
284.03128	2.1
284.92725	1.3
285.04132	4.5
286.01175	2.9
286.98691	2.3
287.01965	47.7
288.02469	6.4
289.03375	4.8
297.00345	4.0
299.01883	2.7
300.02673	2.5
300.06244	1.1
301.03473	2.4
303.01468	5.0
310.52585	1.2
315.01471	100.0
315.08621	3.3
316.01910	6.8
317.02899	2.5
332.01712	25.7
333.02551	11.8
333.09720	16.4
352.46100	1.1
375.27710	3.0
385.07724	1.8
401.06909	1.7
409.22540	1.2
425.07343	1.5
447.09253	3.7
493.10025	1.4
495.08032	1.9
519.07703	2.5
537.00665	2.0
537.08820	37.4
537.20239	2.7
537.33069	10.6
538.09570	5.2
547.46625	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3129
Annotation	Glidobactin D
Peak:m/z	Relative Intensity
50.95560	0.5
55.01765	1.6
57.03323	2.1
58.00478	0.7
58.15985	0.4
58.63800	0.4
59.01254	74.8
61.88227	0.5
69.27029	4.4
71.01256	21.4
72.99191	2.5
73.02821	5.5
75.00756	1.7
79.01766	0.5
83.01259	2.9
83.04942	0.5
85.02825	12.5
87.00749	2.5
89.02322	10.3
90.44303	0.4
93.03342	1.0
95.01273	1.6
97.02847	0.8
98.20181	2.3
99.00753	2.9
101.02332	14.0
107.01273	0.6
109.02831	0.7
111.00776	1.4
113.02333	10.3
119.03366	3.6
119.04880	0.6
121.02853	1.9
123.00806	0.4
123.08066	1.3
124.01576	0.6
125.02363	4.2
129.01833	1.5
134.03679	0.6
135.04419	1.0
137.02374	1.1
139.03709	0.4
141.09039	0.5
143.03438	1.3
149.02338	2.0
150.03107	1.2
150.37697	0.4
151.00281	0.8
155.10754	0.5
159.02885	0.9
161.02438	0.6
161.04486	2.5
161.05717	0.5
165.01877	2.1
165.56024	0.5
168.00604	0.7
169.01323	1.0
171.13844	0.9
175.03903	0.7
177.01964	0.5
179.05548	0.9
185.49878	0.5
189.05513	0.7
190.06241	0.7
205.03442	0.5
249.06349	0.4
277.21655	1.8
286.84821	0.5
295.22812	1.4
316.09515	0.9
329.10388	0.6
331.08167	2.3
331.11887	1.7
335.17111	0.5
355.24991	1.1
373.25977	0.9
393.68179	0.5
439.27063	1.4
457.28036	3.1
475.12598	0.6
475.29086	3.4
505.18564	1.0
517.30145	1.0
520.25903	0.5
535.14020	2.0
535.31232	100.0
536.31598	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	537.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	0.7
59.29258	0.4
65.26833	0.4
69.46880	2.3
71.01235	0.3
78.95733	0.3
91.01768	9.3
93.03345	0.6
98.95217	0.3
109.02836	2.2
117.03339	1.5
121.02811	0.5
125.02287	0.4
135.00780	8.0
145.02856	5.5
153.01845	12.1
154.02205	0.4
159.15129	0.4
181.06535	0.4
183.04417	0.8
195.04404	0.6
197.06111	0.4
207.04396	0.5
209.06009	2.3
211.03967	3.5
212.04289	0.4
213.05496	1.2
223.04027	1.0
224.04778	1.0
225.05504	3.5
235.04019	2.6
236.04652	0.5
237.05573	2.6
237.32504	0.3
239.03387	2.1
249.93086	0.4
251.03400	2.1
252.04303	2.0
253.05042	11.1
254.05368	0.8
263.03433	3.7
264.04190	3.3
265.04755	0.4
267.02945	4.8
268.03726	3.1
269.04465	0.8
270.11911	0.4
279.02933	5.0
280.03781	14.7
281.04547	100.0
282.04886	8.0
293.08276	0.4
307.02478	3.6
307.09464	0.4
308.03189	2.4
308.10287	0.6
309.11014	0.5
320.10266	0.6
321.11313	0.7
331.06091	0.4
371.05640	0.6
399.05057	0.5
401.06647	3.2
402.07037	0.5
411.08719	0.4
417.06152	21.4
418.06458	2.9
477.19012	2.2
489.19284	1.0
519.20306	2.5
537.08618	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	535.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	1.7
60.36705	0.5
71.58677	1.0
73.56831	0.6
77.03825	0.7
89.03794	0.6
93.03324	0.8
95.04921	1.9
105.03338	7.3
108.81742	0.6
109.02825	0.8
117.03356	0.6
119.04920	1.3
121.02853	1.4
123.04413	1.2
125.69795	0.6
132.02080	5.7
133.02850	43.2
134.03650	26.2
135.04440	8.7
136.01515	1.2
137.02322	6.9
139.03909	1.9
145.02873	0.8
147.04417	3.0
149.06017	3.6
150.03142	1.2
153.05476	0.7
160.01570	24.2
161.02362	17.8
161.05994	1.4
171.08060	0.6
175.03926	50.6
176.04282	2.1
177.01862	5.0
178.02629	5.2
179.03447	5.8
193.03314	1.2
193.04997	16.5
194.02045	1.3
267.19504	1.1
285.20691	6.8
304.29114	0.6
359.18637	1.3
429.22855	4.3
443.24377	9.9
444.24738	1.6
447.23996	1.2
461.25446	37.0
462.25876	3.9
520.26672	2.4
535.29102	100.0
536.29364	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	535.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.7
57.03307	6.2
58.00458	4.6
59.01249	100.0
63.66074	0.9
65.00188	1.9
71.01251	61.4
71.04883	1.9
71.58981	1.3
72.99181	6.8
73.02810	6.8
75.00755	3.5
83.01258	4.6
85.02823	22.5
87.00758	6.0
87.04387	1.6
89.02314	67.5
90.02657	1.6
95.01256	4.8
96.95878	1.9
97.06462	3.1
98.95457	2.4
99.00757	2.7
101.02316	34.1
102.12096	1.3
107.01218	1.1
109.02872	1.7
109.06399	1.2
111.00751	1.7
113.02335	22.3
118.18857	1.1
119.03386	31.5
121.02788	1.6
123.04356	1.9
123.08089	1.4
125.02364	5.0
125.06016	1.1
129.01822	2.5
131.03381	3.3
135.04433	3.1
137.02318	3.7
143.03342	5.4
149.02318	1.7
149.04359	2.0
151.00311	8.4
155.10735	2.1
161.04471	6.9
165.01862	7.0
169.01332	1.3
169.12128	1.3
177.01898	3.3
179.05531	18.0
179.97160	1.3
187.13342	1.2
191.01855	1.1
216.13594	2.4
234.12451	1.2
241.08670	1.1
245.17551	1.8
267.07285	1.3
286.04697	1.2
287.05432	2.9
301.03745	1.2
331.08197	9.7
331.11829	1.9
355.14102	2.3
355.24945	4.1
373.13229	1.2
373.25906	24.5
374.26398	2.0
383.92166	1.2
410.41858	1.2
475.29016	1.9
535.13910	2.9
535.20697	2.5
535.22546	2.4
535.31262	59.0
536.31586	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	535.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40333	4.3
57.03326	6.8
59.01252	100.0
68.78091	4.1
71.01254	61.6
72.99163	5.1
73.02830	10.9
75.00761	4.6
80.74723	4.9
83.01249	10.9
85.02824	29.8
87.04396	5.7
89.02323	61.4
101.02316	40.7
113.02322	25.8
119.03403	38.6
125.09662	4.7
161.04456	10.6
179.05568	13.3
190.25766	4.0
227.03470	15.6
228.03860	6.7
229.04323	4.9
243.16019	12.3
255.03011	26.9
256.03339	17.3
257.03571	19.4
284.03250	33.1
285.03857	63.3
286.04108	49.9
287.04544	37.5
373.25949	33.3
405.21179	6.4
491.10870	38.1
492.11169	9.4
535.23792	8.6
535.31183	92.0
536.31573	19.5
551.26276	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65174	1.0
59.01227	3.3
62.94841	1.0
71.58866	1.6
76.62733	1.0
89.02316	1.3
95.04871	3.0
105.03362	8.4
114.21554	1.2
116.60415	1.1
117.03326	2.1
119.04935	2.6
121.02765	1.4
132.02060	4.9
133.02856	49.6
134.03641	32.8
135.04428	10.2
136.01576	2.1
137.02362	8.0
139.03871	2.6
145.02850	5.7
147.04352	3.1
149.05989	6.4
150.03128	1.2
160.01573	29.0
161.02357	17.3
161.05951	1.8
163.03885	1.0
175.03926	61.8
176.04230	3.0
177.01840	5.9
178.02628	7.6
179.03441	7.2
193.05008	19.8
194.02174	2.4
285.20663	7.5
429.22748	6.5
443.24240	9.2
444.24582	1.4
447.23700	1.4
461.25418	40.9
462.25595	5.2
520.26746	2.6
535.29059	100.0
536.29456	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	535.276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.8
57.03321	2.6
58.00468	5.4
59.01250	100.0
60.01585	1.8
66.92613	0.5
71.01252	67.0
71.29702	1.0
72.01598	1.1
72.99176	4.3
73.02809	2.6
75.00765	1.2
76.03013	0.7
82.14812	0.6
83.01275	2.1
84.33338	0.7
85.02826	15.4
87.00758	3.8
88.03907	1.0
89.02316	95.4
90.02668	2.0
95.01254	5.3
99.00765	1.5
101.02322	36.3
102.02670	1.2
104.21919	0.6
113.02333	29.5
114.02678	1.0
115.00294	1.9
119.03388	42.3
123.00812	1.7
124.01537	2.1
125.02329	2.0
131.03389	4.0
133.01379	0.7
135.04408	0.8
137.02354	1.0
139.00244	1.1
143.03410	5.3
149.02367	1.1
149.04466	3.9
150.03139	1.3
151.00288	1.6
151.03636	0.8
152.01071	1.7
161.04454	6.2
164.04678	0.9
165.01819	0.8
165.05531	1.8
166.05890	0.7
169.01328	0.8
178.99768	1.5
179.05537	13.0
179.10664	0.6
191.01976	0.9
193.01389	1.0
195.06537	1.1
204.75418	0.7
223.09824	1.2
225.07814	0.7
238.58504	0.6
279.00546	0.6
288.06378	2.5
303.08844	1.3
313.07190	1.6
315.05225	1.3
331.08319	5.5
355.21228	1.6
373.22351	0.9
475.12195	1.0
535.20447	1.6
535.27570	21.5
536.27911	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.8
57.03328	12.8
59.01253	99.4
64.73074	1.2
69.03333	2.1
69.48285	6.6
69.48709	4.0
71.01254	35.8
72.99170	4.2
73.02824	21.6
75.00753	3.6
81.03329	1.3
83.01245	5.6
83.04895	1.6
85.02832	17.1
87.00770	5.8
88.03922	2.0
89.02321	28.0
95.01273	3.6
99.00757	2.5
99.04389	11.3
101.02328	24.5
102.57468	1.2
109.02846	2.2
109.06406	1.3
111.00770	2.5
113.02330	13.6
118.26189	1.1
119.03397	9.4
123.00798	4.7
125.02330	8.4
126.65895	1.2
132.02943	3.6
133.01221	1.1
135.04439	1.5
137.02365	1.9
137.09557	2.2
138.03107	1.4
140.89046	1.4
143.03378	2.2
149.04460	1.4
151.00264	1.6
151.03839	1.2
155.10753	1.6
159.87918	1.1
161.04471	5.5
163.03932	2.1
165.01787	1.5
165.09105	2.5
165.12775	3.4
169.01308	6.1
179.03297	1.2
179.05502	2.9
191.01878	2.6
193.08629	1.5
207.13884	7.2
209.02892	1.7
209.08250	7.3
209.11766	19.8
210.08530	6.1
210.12109	1.7
211.02435	2.7
211.08788	3.0
221.08109	2.3
225.14915	6.0
251.12778	4.9
267.19556	1.4
269.13943	100.0
270.14297	7.3
271.04700	2.9
287.15088	4.2
301.03583	1.2
301.07172	1.2
373.13376	3.3
373.25903	9.4
383.13519	1.4
391.23187	1.6
491.21329	24.6
492.21573	2.0
517.19769	1.3
517.29889	1.3
535.19171	2.3
535.24182	2.0
535.31274	45.7
536.31470	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.8
57.03328	12.8
59.01253	99.4
64.73074	1.2
69.03333	2.1
69.48285	6.6
69.48709	4.0
71.01254	35.8
72.99170	4.2
73.02824	21.6
75.00753	3.6
81.03329	1.3
83.01245	5.6
83.04895	1.6
85.02832	17.1
87.00770	5.8
88.03922	2.0
89.02321	28.0
95.01273	3.6
99.00757	2.5
99.04389	11.3
101.02328	24.5
102.57468	1.2
109.02846	2.2
109.06406	1.3
111.00770	2.5
113.02330	13.6
118.26189	1.1
119.03397	9.4
123.00798	4.7
125.02330	8.4
126.65895	1.2
132.02943	3.6
133.01221	1.1
135.04439	1.5
137.02365	1.9
137.09557	2.2
138.03107	1.4
140.89046	1.4
143.03378	2.2
149.04460	1.4
151.00264	1.6
151.03839	1.2
155.10753	1.6
159.87918	1.1
161.04471	5.5
163.03932	2.1
165.01787	1.5
165.09105	2.5
165.12775	3.4
169.01308	6.1
179.03297	1.2
179.05502	2.9
191.01878	2.6
193.08629	1.5
207.13884	7.2
209.02892	1.7
209.08250	7.3
209.11766	19.8
210.08530	6.1
210.12109	1.7
211.02435	2.7
211.08788	3.0
221.08109	2.3
225.14915	6.0
251.12778	4.9
267.19556	1.4
269.13943	100.0
270.14297	7.3
271.04700	2.9
287.15088	4.2
301.03583	1.2
301.07172	1.2
373.13376	3.3
373.25903	9.4
383.13519	1.4
391.23187	1.6
491.21329	24.6
492.21573	2.0
517.19769	1.3
517.29889	1.3
535.19171	2.3
535.24182	2.0
535.31274	45.7
536.31470	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63238	0.8
54.95134	0.8
55.01785	0.9
57.03336	1.1
57.92504	0.9
58.00470	1.0
59.01252	47.5
69.03316	3.9
70.87669	0.9
71.01257	41.0
71.34706	2.0
71.35049	1.1
72.01591	1.3
72.99181	4.0
73.02815	4.6
75.00743	7.6
75.95190	0.9
76.01076	1.1
81.03328	1.8
81.08195	0.8
83.01269	4.0
85.02827	12.2
87.00761	2.7
89.02321	45.8
90.12518	0.9
95.01266	1.9
96.95864	1.0
97.02850	4.8
99.00761	10.0
99.04342	1.3
100.01114	1.0
101.02320	12.0
106.56978	0.8
109.02867	1.2
111.00742	0.9
113.02341	11.2
114.95090	0.9
115.03874	2.9
119.03400	1.9
119.04908	0.9
121.02894	1.4
123.04362	1.3
125.02328	25.6
131.03389	6.6
135.04369	1.0
143.03413	1.7
149.04454	9.6
153.01820	0.9
159.03128	0.9
161.04504	2.2
162.03105	1.1
181.06502	3.2
190.51932	0.8
191.03476	1.0
191.05531	4.5
197.06007	2.4
198.06853	2.4
219.02954	3.2
225.05527	62.6
226.06195	11.3
227.06718	1.4
233.06633	21.6
241.08673	100.0
242.09016	6.9
263.01797	1.0
271.09692	4.0
279.45508	0.9
293.08786	29.6
303.34717	0.9
355.24918	1.8
365.21402	0.9
534.22485	3.8
534.29926	2.7
535.17682	6.5
535.23248	7.7
535.30634	26.2
554.07288	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.0
57.03313	1.8
58.00470	3.0
59.01251	61.7
60.01596	1.3
68.18608	0.7
69.03325	7.9
69.90412	1.6
69.90821	3.5
71.01254	62.6
72.99174	4.0
73.02810	9.2
73.67717	0.7
75.00742	3.9
78.95772	0.8
81.03322	4.3
83.01257	6.9
85.02838	9.0
87.00757	2.3
89.02319	100.0
90.02699	1.1
95.01263	2.8
96.95885	1.5
97.02839	12.1
98.20452	1.1
99.00755	17.3
99.04398	2.0
101.02314	16.6
109.02815	1.4
111.00753	2.4
113.02330	6.8
115.03883	8.9
119.03399	2.0
121.02850	1.7
121.68617	0.8
124.01580	1.5
125.02340	48.1
126.02709	1.4
127.03904	1.4
131.03398	12.7
137.02344	7.3
138.03154	4.6
143.03426	4.5
146.03645	1.4
149.04457	13.9
151.03947	2.2
153.05492	1.8
161.04486	1.5
163.03920	2.9
164.04689	1.1
167.03517	0.8
173.04498	1.0
177.01894	1.4
177.05473	1.3
178.06284	1.4
179.07095	1.0
181.06572	0.8
191.05521	8.3
197.06013	3.0
198.06786	8.4
215.05467	0.9
219.06577	0.9
225.05515	33.2
226.06271	19.8
227.06732	1.4
233.06638	41.9
234.06961	1.7
239.07071	1.0
241.08670	96.4
242.09042	7.2
293.08792	29.5
293.12122	1.7
294.09079	2.6
295.06036	1.3
297.11365	0.8
314.11758	1.2
325.10895	2.5
341.10306	1.3
358.10434	4.4
359.11087	1.4
373.12903	28.2
374.13431	2.3
535.18274	2.7
535.31311	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	534.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42106	0.8
59.01244	2.1
68.58509	0.9
71.58304	1.3
73.59687	0.9
78.95773	28.2
78.96212	1.7
89.89912	1.0
103.60941	0.8
104.72565	0.9
117.95321	1.1
122.00043	1.2
140.01076	5.4
152.99478	6.9
196.03760	10.4
214.04761	2.9
253.98238	1.3
261.22101	1.0
279.23276	100.0
280.23633	8.4
337.19257	1.9
384.36456	1.1
471.12344	1.2
476.27811	56.0
477.27927	6.2
534.23425	11.7
535.23938	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	0.4
62.96280	0.5
78.95776	24.5
92.98811	0.3
97.11405	0.3
122.00012	1.2
130.01582	0.4
140.01082	6.2
152.99538	2.0
196.03734	13.6
196.89423	2.5
197.04062	0.6
197.89383	1.5
214.04814	2.1
234.15753	0.4
255.23267	100.0
256.23602	8.9
452.27817	50.2
453.28201	6.7
534.26727	1.9
535.14075	0.4
535.27612	0.6
544.29950	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.2
59.01258	5.8
63.02269	5.3
65.00201	2.7
69.50813	3.0
71.01269	2.8
72.99189	0.5
73.02818	0.7
75.00742	1.0
83.01257	4.2
85.02835	3.2
87.00739	0.7
89.02315	1.7
93.03348	3.1
95.01285	0.9
98.20608	0.7
99.00729	0.4
101.02329	1.6
104.18744	0.4
107.01276	8.4
108.02087	1.2
109.02858	2.6
113.02338	1.4
116.84155	0.4
119.03414	0.8
120.73067	0.4
121.02848	1.5
123.00770	1.2
124.01568	6.5
125.02343	10.2
136.01558	1.0
137.02351	5.3
149.01170	0.4
149.02322	2.2
149.99469	1.7
150.03130	1.0
151.00272	14.6
152.00922	1.2
152.97549	0.4
153.01874	0.4
161.04492	0.6
161.06017	0.4
163.00290	0.9
164.01060	2.2
165.01851	59.8
166.02174	2.2
168.00574	1.4
169.01326	3.3
176.01091	0.9
177.01854	5.1
178.02597	0.9
179.03355	0.3
189.01895	0.6
191.03427	0.6
196.00110	1.0
215.03413	0.4
227.03366	0.5
229.04929	0.6
231.02992	0.5
232.03848	0.4
233.04491	0.9
243.02834	0.4
246.05243	0.4
255.02940	0.6
256.03677	0.7
257.04584	1.1
271.02512	0.5
271.06387	0.4
272.03333	0.5
273.04050	1.0
283.02457	1.0
285.03983	0.9
287.05569	1.1
289.07114	0.4
297.04144	0.4
298.04797	0.6
299.05667	0.4
300.02740	2.1
301.03546	11.8
301.06866	0.4
302.03839	0.5
315.05103	11.2
316.05841	8.2
317.06229	0.9
329.06577	1.0
330.07492	0.7
331.08231	100.0
332.08548	9.4
373.09042	1.9
475.12454	1.0
477.26584	0.8
493.13596	0.7
534.29785	0.4
535.14581	26.9
535.31305	3.6
536.14868	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	534.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96417	0.7
59.01250	4.3
60.70535	0.8
62.18025	0.7
71.01254	18.1
71.74711	0.7
81.03329	2.3
82.03677	0.8
83.01264	1.1
84.04372	0.8
85.02842	2.0
88.03919	1.5
89.02323	2.2
93.03324	4.1
95.01278	1.2
95.04922	0.8
98.20640	1.7
103.93950	0.8
108.02093	1.1
109.02820	1.4
111.00803	0.9
114.01855	18.0
115.00255	24.8
115.02125	0.7
121.02831	6.3
122.03638	13.5
123.00771	1.0
123.04386	1.6
123.08028	1.2
124.01518	1.0
125.02370	4.4
125.05985	2.6
126.02650	1.2
132.02907	2.8
133.02841	2.9
135.04407	1.0
136.01567	1.4
138.03194	0.9
149.02347	38.3
150.03134	100.0
151.00308	1.4
151.03754	4.5
153.05490	1.2
163.03925	1.1
164.03490	1.2
164.04697	29.7
165.05481	84.0
165.09108	13.7
166.05840	4.4
166.09444	8.6
169.01398	1.2
175.00267	1.8
176.04730	2.0
177.05530	1.9
179.07053	21.1
179.10611	1.6
180.04243	6.7
180.07297	1.7
181.04941	3.4
183.02919	0.8
183.06491	0.8
189.04254	1.3
190.02632	1.7
191.07072	2.8
192.02852	7.7
192.04413	1.4
193.01373	1.2
195.06555	32.1
196.06897	1.1
204.06590	2.5
205.05086	4.4
206.09509	1.8
207.03583	1.1
207.05215	5.5
208.03717	3.6
209.08133	47.7
210.08469	32.3
210.10484	1.5
211.06082	0.8
211.08748	1.2
218.04408	1.1
219.05144	1.3
221.08110	3.5
222.07610	11.0
223.06062	22.4
223.09647	2.7
224.06598	2.1
229.88525	1.2
233.08179	7.2
234.08395	7.5
235.06129	1.2
239.05486	1.1
248.09244	4.6
251.09267	2.7
252.06296	1.1
252.09637	1.9
253.07187	3.5
276.08820	3.0
293.08917	4.4
294.09793	11.0
331.08316	0.8
337.08041	1.7
365.12436	1.0
371.09784	1.8
371.13489	5.1
372.13861	11.4
383.13443	1.6
415.12537	4.9
419.13504	3.2
442.14981	1.6
454.15237	1.2
472.16043	1.1
490.17178	2.7
495.71140	1.1
534.16150	69.5
535.16296	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	534.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97766	2.1
59.01249	14.1
60.25486	2.4
65.00213	4.8
65.99738	3.5
71.01262	9.7
71.57171	4.4
72.04558	2.2
72.99189	9.0
73.02835	3.0
83.01296	3.8
85.02846	7.4
89.02297	5.6
93.03373	3.5
95.01268	3.1
96.39652	2.7
98.02396	2.8
99.00783	3.3
101.02328	4.3
103.00267	4.2
107.01279	8.1
109.02859	16.5
112.24699	2.7
113.02350	11.0
121.02856	6.3
125.02357	6.8
133.02846	2.6
135.00757	3.4
136.03926	2.3
137.02280	5.6
147.00793	4.0
149.02371	10.4
151.00273	22.6
152.01054	4.7
153.01788	3.2
160.03929	3.8
161.02391	5.0
161.06041	2.8
162.01878	4.4
163.00314	7.7
164.03471	4.1
164.04700	3.4
165.01918	2.6
165.05463	3.9
169.01321	4.6
175.00319	8.2
175.02573	3.4
177.01846	21.8
178.99774	18.6
185.07957	2.4
186.01950	6.3
190.01363	5.3
193.01395	13.5
193.03490	11.8
194.01839	2.3
202.01372	3.0
204.02925	15.8
209.00934	3.4
214.01378	2.7
218.00925	5.0
222.04027	2.8
239.03560	2.8
243.02930	5.3
248.02040	9.2
255.03036	7.1
261.04047	2.7
271.02423	14.4
273.04001	4.5
285.03986	8.9
294.04117	8.3
295.02448	3.7
296.05670	2.9
298.14398	2.4
300.02670	23.4
301.03375	7.1
313.03580	22.6
314.03854	2.5
315.92194	2.8
317.03024	16.7
322.03589	17.2
340.04602	100.0
341.04886	7.5
358.05676	55.0
359.06113	3.4
398.07281	11.0
424.05032	5.4
495.44611	2.4
497.06192	2.7
516.07831	3.7
534.08734	6.6
534.16083	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	534.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	2.0
59.01252	13.4
63.02264	2.9
65.00193	4.6
65.99715	4.1
69.38828	13.7
71.01256	14.3
72.99187	13.6
73.02794	3.8
75.00753	2.1
80.97843	1.3
83.01254	3.4
85.02825	10.3
87.00774	1.9
89.02309	4.7
93.03341	4.2
95.01259	4.1
96.00781	1.9
97.02847	1.4
99.00765	3.5
101.02329	3.5
103.00240	4.6
107.01269	9.1
108.02069	2.4
109.02842	18.8
111.00781	2.4
113.02343	13.0
114.01845	4.0
115.00260	7.7
118.02827	1.8
119.01270	2.1
121.02856	8.2
122.03619	3.0
123.00758	3.3
123.04397	1.6
124.01490	1.3
125.02332	8.6
131.03381	2.3
132.04465	1.5
133.01350	1.8
133.02855	4.9
134.02393	6.2
135.00768	2.0
135.04453	1.5
137.02344	8.9
139.03880	4.1
146.02396	3.6
147.00781	2.3
147.04382	2.1
148.01559	2.4
148.03893	1.4
149.01183	2.3
149.02348	21.3
150.03136	20.8
151.00290	29.6
151.03914	1.9
152.00998	2.7
152.70361	1.4
153.01817	4.6
155.03416	1.7
160.03972	5.4
161.02338	6.0
161.06029	2.0
162.01872	12.0
162.03041	1.6
163.00296	8.1
163.02487	1.9
164.01112	1.5
164.03429	5.2
164.04707	6.6
165.01822	4.3
165.05489	20.0
169.01288	4.0
172.36559	1.3
173.02400	1.4
174.01871	3.2
174.03169	1.5
175.00278	5.7
175.02530	2.2
175.03946	2.4
176.00983	3.0
176.03398	1.6
177.01859	38.6
178.99796	16.3
179.07054	3.8
180.04236	1.5
181.01364	3.1
183.04475	1.7
186.01889	5.4
187.02394	1.5
187.03952	1.9
189.01917	1.8
190.01308	7.0
190.99870	1.5
191.01840	2.3
192.02788	1.9
193.01363	17.7
193.03445	12.4
195.06494	6.4
199.03889	2.8
201.05559	3.2
202.01376	6.0
203.03380	2.0
204.02943	25.0
205.01323	3.8
208.00099	2.2
208.02411	2.9
209.00821	2.7
211.03925	1.7
214.01448	3.8
215.03477	2.4
217.05107	1.9
218.00951	2.3
219.03023	1.8
220.02406	1.5
221.00826	1.8
222.04042	4.6
222.07576	1.6
223.05972	4.5
227.03458	5.9
229.05026	1.3
230.00850	2.4
231.03114	2.1
232.02431	1.8
241.04997	4.6
242.02283	2.6
242.04680	2.0
243.02989	5.7
245.00874	1.8
245.04503	2.9
248.02002	8.8
250.04961	2.2
255.03009	6.6
256.03561	1.9
257.04468	3.1
258.04480	1.3
259.02509	1.6
266.04718	2.8
267.03009	1.9
269.04501	4.2
271.02484	17.2
272.03128	4.2
273.04001	7.1
285.04074	10.8
291.04984	1.9
294.04117	5.8
294.09827	2.1
295.02469	4.5
296.05627	2.4
298.03531	2.0
299.01974	2.5
300.02719	26.8
301.03323	4.1
310.38660	1.2
312.05176	6.0
313.03491	23.1
314.03726	2.9
316.04648	2.3
317.02927	10.4
318.03378	2.2
322.03561	29.1
323.03973	2.3
330.06247	2.0
339.03482	1.6
340.04608	100.0
341.04929	9.7
358.05704	50.7
359.05914	4.4
369.04556	5.1
398.07208	17.5
424.05396	8.6
516.07727	5.5
534.08606	4.0
534.16150	16.2
536.26117	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	2.4
59.01255	12.8
61.46355	1.1
62.92827	1.2
65.00199	4.6
65.99719	3.3
66.00032	1.4
67.01733	1.5
69.40642	5.9
69.41069	5.9
71.01259	15.8
72.99184	15.0
73.02810	3.1
75.00741	3.0
76.87790	1.2
80.48708	1.3
83.01254	3.1
85.02827	12.6
87.00744	1.5
89.02304	6.6
91.82241	1.2
93.03333	6.8
94.67748	1.2
95.01263	3.9
97.90587	1.4
99.00752	9.5
100.54225	1.6
101.02338	4.0
103.00243	6.1
106.34966	1.3
107.01283	4.4
107.60796	1.5
108.02024	1.5
108.12112	1.2
109.02831	5.2
111.00758	5.0
113.02341	17.7
117.03413	1.6
119.58028	1.3
120.04411	1.2
121.02840	4.3
123.00802	7.2
123.04390	2.5
124.01620	1.5
125.02354	9.6
126.03697	1.3
129.01842	2.2
131.03403	2.0
133.01349	1.9
133.02838	2.4
134.02374	5.9
135.00783	1.8
135.04445	2.6
136.98720	2.0
137.02327	7.0
139.00282	10.6
141.01860	2.8
145.02846	2.0
147.87474	1.3
148.03937	2.2
149.02342	5.4
151.00278	16.4
151.03891	2.1
152.01054	2.2
153.01851	12.8
157.01361	2.2
161.02385	3.1
162.01898	10.9
163.00273	4.9
163.02631	2.5
164.01030	1.7
164.03461	4.0
164.98224	2.1
165.01840	2.8
165.99004	2.0
166.99800	9.5
169.01352	3.4
171.04405	2.2
172.03944	2.5
175.00314	3.1
175.02406	2.8
175.03918	2.0
176.03397	1.8
177.01888	8.9
178.01346	10.5
178.99770	11.1
179.03424	1.9
180.02936	8.0
183.04489	2.2
186.01900	3.2
187.04008	2.0
190.01364	2.2
190.99861	1.6
191.03391	2.5
192.00623	1.8
192.02824	2.2
193.01350	22.2
193.03455	24.2
194.99229	4.7
199.03964	3.4
201.05603	1.8
202.01416	4.6
203.03468	2.3
204.02951	5.2
205.01346	2.8
206.00870	8.3
206.99269	2.7
208.02412	2.1
209.00777	4.9
210.05513	1.6
213.05522	2.7
215.03403	3.2
218.00752	2.7
219.02888	3.3
220.02417	8.3
222.04053	2.0
223.04070	1.5
227.03423	2.1
229.04994	2.7
232.02469	1.5
233.04663	1.8
239.03612	2.4
241.05110	4.2
243.02887	2.6
245.04498	2.8
255.03000	5.0
256.03665	1.9
257.04492	2.7
259.02390	2.2
267.02899	2.4
268.06018	1.7
269.04556	4.3
269.13950	2.3
271.02472	9.5
272.03088	2.1
273.04007	6.7
278.04547	1.6
283.02393	2.6
285.04007	13.6
286.04504	2.0
291.05157	1.8
294.04132	4.3
295.02365	2.9
296.05609	2.8
299.01816	6.8
300.02710	14.2
301.03378	3.8
309.06116	4.4
312.05182	4.6
313.03506	46.0
314.03714	3.6
316.04758	3.2
317.02905	8.6
318.03598	1.8
322.03580	17.8
323.03836	1.7
328.04636	1.8
330.03574	1.8
331.04718	6.8
339.03705	2.3
340.04605	100.0
341.05139	8.7
349.99936	1.6
358.05695	63.0
359.06119	8.1
369.04575	3.6
398.07172	4.3
414.06638	9.3
424.05441	2.2
489.06778	4.4
507.07819	2.9
516.07874	5.5
534.08740	9.5
534.15881	1.8
535.09711	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	533.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.5
57.03329	6.2
58.00493	1.0
59.01257	17.5
61.98710	1.4
65.15700	0.6
69.03315	1.0
69.84815	3.0
71.01258	29.7
71.70409	0.7
72.99184	5.8
73.02810	4.8
75.00753	30.6
83.01268	5.0
85.02827	37.3
86.03157	1.1
87.00766	9.8
89.02317	2.9
93.03337	0.7
95.01279	4.9
97.02814	1.8
98.20583	0.9
99.00763	9.2
101.02331	7.5
103.00253	1.0
109.02838	1.5
111.00762	2.1
112.01560	1.6
113.02336	33.0
115.00254	3.4
117.01810	1.9
119.03374	0.9
119.04907	1.7
123.04388	1.5
125.02335	4.6
129.01794	1.3
131.03450	0.7
137.02327	1.9
145.02898	1.4
151.03876	1.0
157.01340	1.2
159.02820	1.0
161.04475	1.9
165.01909	1.2
171.10173	0.7
175.02455	4.6
205.04982	0.9
219.06439	0.9
289.07199	3.1
315.08707	1.1
357.22568	1.8
369.13339	1.0
387.14429	2.3
387.28802	0.7
388.15070	0.9
406.70163	0.7
413.15854	1.5
443.17328	0.9
504.67813	0.8
533.26044	100.0
534.26312	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	533.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51361	0.8
52.61125	1.1
55.01736	0.9
57.03317	1.9
57.11240	1.0
59.01251	14.1
69.03325	1.0
69.97502	0.8
70.18458	3.3
71.01252	17.7
72.99174	5.7
73.02813	1.8
75.00745	19.4
83.01247	1.4
85.02824	18.2
87.00742	8.1
89.02313	4.1
95.01260	4.0
98.20457	1.5
99.00752	10.8
102.47785	1.0
103.00249	2.2
113.02335	27.4
115.00224	2.2
117.01820	3.6
129.01849	2.4
164.80125	1.1
175.02394	3.5
205.07179	1.7
231.04985	1.8
249.06126	20.0
265.25162	1.0
267.07135	3.7
283.26422	100.0
284.26733	8.3
515.32001	3.2
533.33313	96.6
534.33612	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	533.333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.7
57.41155	1.0
57.81567	0.8
59.01250	10.9
68.99674	1.5
70.14725	3.9
71.01249	14.4
72.99181	4.7
73.02814	1.0
75.00747	19.9
83.01283	0.8
85.02822	18.1
87.00759	7.9
89.02316	3.1
95.01273	4.8
99.00764	10.6
103.00259	2.5
113.02331	25.3
115.00262	2.6
117.01829	3.2
129.01872	1.0
139.00200	0.8
142.42516	0.8
175.02365	3.3
193.02078	1.0
198.91350	1.0
213.77129	0.9
231.05080	1.5
249.06119	19.2
250.06508	1.0
267.07077	4.0
283.26422	100.0
284.26807	7.4
431.79056	0.9
515.32294	3.2
517.75897	0.9
533.33307	85.8
534.33771	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53430	0.4
55.01764	0.9
57.03331	1.3
59.01254	100.0
60.01596	0.9
70.49512	0.9
70.49878	0.9
71.01256	10.1
73.02819	2.9
78.95797	1.6
83.01268	3.2
84.20537	0.4
85.02831	7.3
89.02340	0.7
95.01288	1.4
96.95887	0.4
97.02888	0.8
99.00780	1.7
101.02321	6.5
111.00773	0.6
112.01580	0.5
113.02332	6.4
115.03929	0.9
125.02358	0.7
141.12749	0.6
143.03397	2.7
152.99516	1.4
161.04482	3.2
217.00218	0.8
267.06683	0.4
267.66962	0.4
281.24884	0.8
283.26556	1.8
329.30576	2.7
330.30862	0.4
371.31650	0.6
374.99362	0.6
425.32870	0.7
437.33298	0.4
473.34860	15.2
474.35266	1.7
491.35840	16.2
492.36533	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95636	1.1
55.01756	2.1
57.03318	5.6
59.01254	55.0
60.22283	0.9
69.03325	1.9
69.53877	9.0
71.01256	34.3
72.99177	8.1
73.02825	6.5
75.00744	41.1
83.01269	5.0
84.22977	1.1
85.02823	47.7
87.00749	10.8
89.02322	5.1
90.29958	1.1
94.93237	1.1
95.01260	5.1
95.41924	1.1
96.95904	1.2
97.02802	2.4
97.72943	1.0
99.00756	17.0
101.02309	10.1
103.00225	1.7
109.02861	1.7
111.00780	2.0
112.01577	1.6
113.02335	45.7
114.02634	1.7
115.00254	4.3
117.01833	2.7
125.02330	2.7
129.01822	3.0
143.03506	1.6
157.01337	2.3
161.04463	3.8
162.03108	10.7
167.04828	1.5
169.01344	3.6
170.38226	1.0
175.02437	6.5
177.05470	12.7
186.59846	1.1
209.05983	1.7
253.05061	6.7
254.05392	3.7
255.05580	2.5
295.06171	2.8
296.03152	3.9
311.05768	3.2
315.18167	2.9
325.11090	1.2
327.36017	1.2
377.07306	3.8
429.21527	3.4
533.22418	100.0
533.29645	12.6
534.22723	14.5
534.30457	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	533.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
71.01247	50.5
71.15466	7.0
72.99155	6.1
73.02809	24.4
75.00781	3.6
78.95782	5.4
83.01250	10.6
85.02821	19.4
89.02316	14.2
96.95908	10.3
99.00765	8.8
101.02328	38.7
113.02325	20.2
119.04860	4.8
125.02316	7.8
147.04405	15.7
149.04456	8.5
161.04449	11.8
169.01245	4.6
186.44936	4.0
286.04361	4.1
315.18127	5.8
353.23367	8.3
417.67151	4.5
447.22238	11.6
468.78925	4.8
489.23236	24.1
533.22339	7.5
533.29785	59.6
534.30212	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	533.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	2.3
57.03328	10.0
58.00463	1.6
59.01251	100.0
61.05163	1.0
67.01763	2.2
67.54287	1.3
68.99692	2.6
69.03332	4.2
71.01256	47.8
71.58277	2.0
72.01559	1.5
72.99170	10.7
73.02811	9.1
75.00745	79.2
78.95762	1.5
79.95606	1.2
81.03326	2.5
82.41882	1.2
83.01267	11.3
84.02023	1.4
85.02821	66.3
87.00753	16.0
89.02313	7.8
95.01265	11.9
96.95890	52.3
96.96823	1.8
97.02841	2.4
99.00752	41.5
101.02325	13.5
103.00278	4.3
109.02826	2.8
111.00755	10.4
112.01550	3.2
113.02329	66.8
114.02682	2.1
115.00262	3.1
116.92767	3.4
117.01804	3.6
119.03420	1.7
119.04906	1.9
121.02889	1.9
123.04330	1.4
125.02367	4.5
129.01845	4.7
129.21242	1.3
131.03413	1.6
137.02313	2.6
141.01831	2.0
157.01349	18.1
159.02893	1.8
161.04428	3.1
167.03433	3.7
173.04541	1.8
175.02373	8.3
191.03568	1.6
191.05473	2.4
197.08040	3.0
211.03758	1.5
269.08215	5.4
273.07648	3.5
296.02963	1.5
311.05521	2.5
315.18091	1.9
327.60922	1.2
329.13937	2.9
329.23331	1.5
335.06146	3.6
377.06842	2.3
387.14166	1.4
429.21136	6.6
455.26352	1.2
473.20325	26.9
473.26929	1.3
474.20523	3.2
491.21426	40.1
491.28683	2.7
492.21790	4.1
521.87958	1.4
533.13330	3.2
533.22357	95.8
533.29688	18.3
534.23004	13.4
534.30280	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	533.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.2
57.03325	5.4
58.00458	0.6
59.01250	38.4
68.99674	1.1
69.03307	1.0
70.97825	1.5
71.01254	26.1
72.99175	5.2
73.02811	4.9
75.00747	31.3
76.01086	0.7
76.98637	0.7
82.43301	0.6
83.01266	3.0
84.02054	0.7
85.02823	36.1
86.03130	0.8
87.00745	9.4
89.02333	3.6
95.01250	4.3
97.02818	1.6
97.04691	0.6
99.00176	0.7
99.00766	12.6
99.04397	0.8
101.02313	6.1
103.00239	1.8
111.00717	1.6
112.01535	1.0
113.02331	40.9
114.02682	1.5
115.00268	3.2
117.01817	2.3
119.03412	0.8
119.90427	0.7
125.02328	1.9
129.01836	2.2
143.03427	1.1
157.01335	2.8
161.04468	3.1
162.03145	3.5
167.04893	0.7
167.94162	0.6
175.02388	5.3
177.05475	3.8
188.76648	0.6
201.03960	1.0
230.42783	0.7
253.05029	4.5
253.07263	0.8
254.05328	1.6
255.05637	1.3
285.91092	0.7
296.03336	0.8
315.18161	1.7
377.07162	4.2
429.21365	3.2
434.08087	0.6
473.20325	1.1
515.20898	0.7
533.22382	100.0
533.29077	4.5
534.14893	1.4
534.22693	13.6
534.30548	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.8
56.04823	0.6
57.03329	9.6
58.00464	1.8
59.01254	60.9
60.01578	0.9
61.98688	0.6
67.01761	1.4
68.99707	1.0
69.03332	1.5
69.62384	4.7
71.01258	43.9
71.04878	1.2
72.99185	7.2
73.02819	6.8
75.00750	41.0
76.01098	0.7
80.58984	0.6
83.01266	5.4
84.02025	0.9
85.02827	53.7
86.03136	0.7
87.00753	10.9
89.02325	17.6
93.03356	0.8
95.01273	4.6
96.95895	4.4
97.02812	1.2
98.19841	1.3
98.99783	0.7
99.00761	14.4
99.04389	1.0
101.02331	13.5
101.05936	0.7
103.00241	1.3
109.02830	1.0
111.00777	4.9
112.01559	0.9
113.02332	43.2
114.02674	1.2
115.00268	4.3
117.01823	3.0
118.17712	0.7
119.03406	6.3
123.04400	0.7
125.02372	4.8
129.01840	7.7
131.03395	2.3
137.02348	2.0
143.03473	0.9
145.02808	1.0
149.04446	1.4
151.04062	0.7
157.01355	2.8
159.02901	1.0
161.04483	2.9
169.01392	0.9
173.04433	2.6
175.02429	6.0
179.05492	2.0
205.03502	6.2
249.06148	1.4
251.09294	0.8
267.07272	3.2
285.04019	1.4
327.21503	1.1
371.24365	1.1
389.18213	1.8
417.21454	2.6
429.21124	3.4
430.20306	1.1
473.20380	1.6
491.21780	1.0
515.22144	0.8
533.22430	100.0
533.29572	10.4
534.22791	11.4
534.30237	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.2
57.03327	3.5
58.00462	2.2
59.00949	1.6
59.01252	32.9
60.95571	0.8
67.01745	1.0
68.99663	0.8
69.03333	2.5
69.32488	4.6
69.32913	2.8
71.01257	31.5
72.99184	3.2
73.02805	1.1
75.00755	7.3
79.52158	0.7
81.03329	8.8
83.01263	5.0
83.04860	1.0
85.02822	14.3
87.00759	4.4
89.02322	32.0
93.03340	2.3
95.01273	4.3
95.04909	7.9
96.95889	3.2
97.02821	6.1
99.00755	3.1
99.04414	2.8
99.08040	2.1
101.02329	10.8
101.05996	4.1
103.10816	0.7
107.01281	0.8
109.02835	1.5
111.04405	1.4
113.02338	17.5
114.01937	0.8
115.00282	3.4
119.03403	11.0
121.02813	1.2
122.03595	1.6
123.00743	2.1
123.04409	4.3
123.08077	2.7
124.01521	1.5
125.01437	1.5
125.02348	29.4
125.05991	6.8
126.02657	1.5
129.01836	1.0
131.03413	1.8
132.02893	1.4
134.03616	1.2
135.04439	1.5
137.02333	5.3
137.09657	1.5
138.03033	0.7
139.03885	1.8
141.09109	1.7
143.03418	2.1
145.12088	0.7
149.02367	3.9
149.04419	1.4
149.05983	0.9
150.03110	3.7
151.00287	1.5
151.03940	1.3
155.03381	2.5
161.02426	1.2
161.04460	2.2
163.03905	1.3
164.04688	1.4
164.08344	2.0
165.01889	4.6
165.05507	3.2
165.09131	8.5
166.02614	1.7
166.09402	0.8
167.03424	20.7
167.07040	2.0
168.03854	1.0
169.01402	2.4
170.49429	0.7
173.09512	0.7
176.03432	1.2
179.03409	2.3
179.05595	4.9
179.10730	9.3
180.04216	1.4
181.08670	1.8
183.10194	1.4
191.01881	1.5
191.03450	1.7
195.06531	3.2
197.04501	2.7
205.08784	1.3
207.06639	1.0
207.10127	4.5
209.02954	2.5
209.08151	22.6
210.05176	0.8
210.08440	0.8
219.10202	1.6
220.06317	0.7
221.08142	9.5
222.08862	1.2
223.06313	1.0
223.09694	2.6
224.95444	0.8
233.08188	1.7
235.09708	1.5
247.09744	1.6
249.06061	1.4
251.09229	100.0
252.09644	5.8
263.09286	4.1
267.07202	6.4
275.09189	3.4
281.10324	23.9
282.10489	1.6
293.10306	2.2
304.45407	0.8
305.10254	1.3
317.02719	1.1
323.11465	1.3
353.12598	0.9
357.04514	1.3
413.14542	59.2
414.14862	4.3
419.12830	0.8
443.15579	23.7
444.16061	1.9
455.15521	1.4
485.16397	1.0
515.17633	3.2
533.18811	21.0
534.17261	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	533.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	2.8
57.03317	5.2
59.01252	41.3
60.69986	1.5
71.01254	49.0
71.60261	3.6
72.99192	3.7
73.02825	13.1
75.00749	2.6
81.03326	5.0
83.01266	13.4
85.02831	26.8
85.83792	1.7
87.00749	3.5
89.02318	18.0
95.01254	5.5
95.04892	4.6
96.95898	13.4
97.02834	4.7
97.44707	1.5
99.00766	6.9
101.02330	33.7
101.05950	4.9
108.02057	6.0
109.02848	2.5
109.06481	2.4
111.00800	2.1
111.04411	2.2
113.02322	25.6
113.24780	1.8
115.00295	1.8
119.03400	6.9
121.02860	2.3
121.06525	2.3
123.04372	4.9
125.02338	16.3
125.05970	11.9
129.01782	2.1
132.02934	2.2
135.04420	1.8
137.02345	3.1
139.03922	7.1
143.03421	2.0
145.02892	1.8
150.03099	2.2
151.03903	2.9
152.01057	5.4
153.01494	1.8
159.02888	2.4
159.26381	1.6
161.04482	22.6
163.03865	3.0
164.04675	1.8
165.05469	3.4
165.09142	8.5
167.03423	14.4
178.80606	1.6
179.03395	2.8
179.05608	2.2
179.10609	2.1
181.08607	3.7
191.01918	1.8
191.03520	1.9
197.04529	4.2
205.08707	2.4
207.10126	2.4
209.04611	7.7
209.08154	16.2
209.15491	2.6
221.06317	2.0
221.08159	4.9
233.42596	2.1
235.09732	2.4
239.05649	2.6
251.09256	23.4
252.09818	2.1
263.09274	10.3
271.02405	3.3
277.10663	2.4
281.00952	3.6
281.10376	9.2
284.03244	5.1
285.04010	7.3
293.10327	100.0
294.10681	9.7
299.01892	8.9
305.10330	5.6
314.04343	5.6
323.11359	72.0
324.11670	6.1
329.06769	9.4
335.11340	4.0
348.58807	1.9
353.12393	20.6
371.20721	34.9
372.21176	2.5
395.13464	5.3
413.14716	10.6
425.14575	5.0
443.15686	2.7
489.10519	5.6
515.18103	2.5
533.18103	9.9
533.25659	27.3
534.26172	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	533.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.8
57.03326	6.9
58.65427	0.8
59.01255	15.1
61.95264	0.8
68.99686	1.0
69.03329	1.4
69.59932	6.6
71.01257	29.5
72.99187	5.9
73.02815	4.2
75.00746	31.4
83.01248	4.0
85.02827	39.9
85.99937	1.3
86.03165	1.3
87.00745	11.4
89.02328	4.3
91.08203	1.0
95.01276	2.7
95.04931	1.1
95.72531	1.1
97.02837	1.4
98.19873	1.2
99.00758	9.8
101.02309	6.9
103.00285	1.9
109.02882	1.1
111.00767	2.7
112.01505	1.2
113.02337	26.5
114.01873	2.5
115.00258	7.1
117.01862	1.5
121.02843	2.7
123.04431	1.9
124.01587	1.2
125.02340	6.0
129.01860	3.1
131.03377	1.2
134.03627	3.8
135.04433	2.0
137.02362	5.5
147.02919	2.3
149.02379	1.1
149.05992	2.6
157.01312	1.6
161.02367	1.2
165.01846	13.7
166.02609	2.1
167.03458	1.5
169.01332	3.5
175.02393	2.9
175.03845	1.3
179.03412	3.3
180.04245	7.7
180.07829	11.2
181.05069	1.4
181.08525	1.6
181.19032	0.9
191.01883	4.5
192.06662	1.6
193.05003	2.5
195.06572	8.5
195.10226	10.9
198.75423	1.0
209.02953	6.0
210.05302	2.4
225.05684	1.1
225.07552	4.7
244.74091	0.9
249.06068	1.1
251.09294	6.8
264.08792	3.1
267.07214	4.3
275.09314	1.2
309.99283	0.9
340.08447	1.6
343.13931	2.3
357.15619	8.4
358.00266	1.3
358.09998	1.0
371.10907	1.1
413.14505	4.8
416.03729	1.3
442.15155	3.8
443.15552	1.3
461.04977	1.0
473.15707	1.1
490.17270	1.2
500.08362	1.1
533.18793	100.0
534.17725	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	533.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03297	0.4
59.01255	2.3
60.90890	0.3
68.99683	0.4
69.03325	1.0
69.37572	3.4
71.01255	1.0
73.02833	0.5
81.03327	6.5
83.01239	2.3
85.02809	0.6
88.29395	0.4
89.02295	0.8
93.03321	0.4
95.04905	6.7
96.95880	0.6
97.02827	3.6
99.04404	1.8
99.08032	1.5
101.02313	0.9
101.05967	2.5
107.04888	0.5
108.02062	0.6
109.02850	0.4
109.06490	0.6
113.02312	0.7
121.02830	0.8
122.03623	1.0
123.04432	3.2
123.08073	1.7
125.02342	21.1
125.05976	7.3
126.02708	0.5
137.02367	1.2
137.09613	0.7
138.03085	0.5
138.10098	0.4
138.52545	0.3
139.03922	0.8
141.09100	0.9
147.04321	0.4
149.02328	1.5
151.00275	0.5
155.03349	0.6
163.03908	1.0
163.07603	0.5
164.08331	1.5
165.01813	0.6
165.09105	4.3
166.02614	1.8
167.03419	17.9
167.07085	1.5
168.03644	0.5
175.03920	0.5
178.06172	0.7
179.10710	9.1
180.11107	0.7
181.08653	1.4
183.10236	2.0
189.01865	0.4
189.09148	0.8
191.03424	1.6
193.08698	0.4
205.08669	0.9
207.06497	0.9
207.10197	4.0
209.08119	5.8
219.10287	0.8
221.08138	5.0
222.08878	2.3
223.09695	2.4
229.08795	0.5
233.08142	8.5
234.08496	0.8
235.09731	0.4
245.08231	0.7
247.09688	3.6
249.07684	1.3
250.08351	1.0
251.09224	100.0
252.09547	5.6
263.09171	2.1
265.10712	0.6
275.09253	26.6
276.09506	1.6
281.10309	3.5
293.10336	4.7
305.10324	2.9
317.10287	1.2
353.12366	1.4
371.13477	1.2
395.13232	0.4
413.14514	98.7
414.14853	9.4
443.15518	2.9
444.16281	0.4
533.18738	5.0
534.19244	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70966	0.6
51.91660	0.6
57.03318	1.6
59.01249	45.1
67.05395	0.9
68.99670	1.0
69.03353	0.8
69.46005	5.9
71.01251	10.8
72.99174	2.9
73.02818	1.2
75.00747	11.2
78.95774	5.3
79.95602	2.3
81.03341	1.1
83.01257	1.4
85.02818	12.8
87.00752	3.5
89.02311	2.9
95.01259	2.8
96.95889	100.0
96.96790	8.0
98.19761	1.1
99.00767	5.7
99.04331	0.7
103.00253	1.4
104.95540	0.7
109.02836	0.7
113.02326	14.7
115.00282	2.1
117.01858	1.4
123.04373	1.3
125.02346	1.5
128.03380	0.9
135.11728	3.7
154.22232	0.6
157.01219	0.7
158.12039	0.5
167.03354	4.4
172.89299	0.7
175.02429	2.1
179.03435	1.1
179.10689	18.3
180.10957	0.9
184.55305	0.6
193.01273	0.8
231.05031	1.9
249.06116	19.8
250.06432	0.9
251.09175	0.8
267.07166	12.3
268.07672	0.8
273.07669	6.8
311.05713	0.8
320.09213	0.8
346.49997	0.7
371.04434	0.8
410.68750	0.7
411.16556	2.1
429.17624	54.5
430.18069	5.2
435.13013	1.3
473.16635	16.8
474.16965	1.6
491.17432	0.9
515.38580	0.7
533.18732	30.3
534.18726	3.1
539.03540	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1668
Annotation	5,7-Dihydroxy-6-C-methylflavanone 7-xylosyl-(1->3)-xyloside
Peak:m/z	Relative Intensity
54.71486	0.2
54.73260	0.2
59.01252	100.0
60.01593	0.9
61.79106	0.2
66.43916	0.2
69.54615	0.4
69.55022	1.2
71.01260	0.4
73.02838	0.3
77.02234	0.2
77.93371	0.2
78.95785	0.3
85.02824	0.3
96.95882	0.7
96.96862	0.2
99.00772	0.3
101.02339	0.3
113.02310	0.3
121.02875	0.4
149.04468	0.5
186.06764	0.2
190.12796	0.2
209.06134	0.4
210.06854	0.8
211.04047	0.3
225.05507	0.3
226.06396	0.3
239.03529	0.4
253.05150	0.5
254.05833	13.4
255.06226	0.9
269.08182	20.1
270.08447	1.3
533.29614	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	1.4
69.52773	6.7
74.50265	1.0
75.35094	0.9
78.45041	0.9
85.02827	8.3
87.00784	2.2
93.03339	2.7
93.96519	1.0
103.73145	1.0
111.04507	1.3
114.10058	1.1
114.45484	1.1
123.96069	1.1
127.03890	2.5
134.43623	1.1
171.03009	1.1
191.05539	100.0
192.05811	1.8
439.32333	1.2
442.09653	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.9
59.00990	0.4
59.01256	5.0
60.89717	0.3
61.98701	0.9
62.82927	0.3
65.00195	0.9
69.33711	2.1
69.34137	1.2
71.01247	1.8
73.02815	0.6
75.00744	1.3
78.95744	0.5
81.03330	5.9
83.01258	1.3
85.02822	2.1
85.06461	1.7
87.00750	0.5
87.04380	1.0
89.02326	1.1
90.28584	0.3
93.03341	0.3
95.01250	0.5
95.04929	0.8
97.02847	0.9
99.00739	0.7
101.02348	0.8
109.02840	1.3
109.06479	3.0
111.04411	4.3
113.02332	1.2
117.03385	0.4
119.04927	0.9
121.02840	0.8
123.04440	1.0
124.36305	0.3
125.02354	8.3
125.06001	0.5
127.07564	0.9
132.02039	0.8
133.02885	0.6
133.06479	1.4
134.03656	0.8
135.04419	0.4
136.05179	0.8
137.02368	2.0
139.03889	0.7
145.02863	2.1
149.02382	1.9
151.00354	0.6
151.07567	34.6
152.01047	0.7
152.07896	1.4
153.05424	0.4
160.01591	1.7
161.02345	1.3
161.04620	0.4
161.05975	0.8
162.03149	0.4
163.03906	0.5
163.07497	0.4
165.01840	1.4
165.05441	0.7
167.03418	0.9
169.01357	0.3
175.03957	2.2
177.05505	1.4
179.03427	0.9
179.07076	1.4
180.29875	0.3
187.03996	0.5
191.03415	0.4
191.07076	1.5
193.05029	0.7
194.05815	0.8
195.06570	100.0
196.06909	4.6
201.05562	1.2
203.07089	0.8
205.05014	0.6
207.06517	1.0
209.08109	3.6
219.06572	20.9
220.06978	1.1
221.04510	0.5
221.08154	0.5
231.03082	0.4
235.06071	0.5
237.07660	8.2
238.07956	0.3
245.08133	0.7
249.07625	1.4
261.07697	1.0
263.09256	1.1
271.05997	0.4
276.61142	0.3
289.07193	3.1
295.08353	0.5
299.12985	0.4
315.08749	1.0
323.07718	2.1
337.09253	1.3
339.10901	0.3
341.06927	0.5
369.13705	0.4
387.14508	3.6
407.38657	0.3
413.16046	0.7
435.10873	0.5
443.17041	0.6
533.16791	8.9
533.25861	1.9
534.17163	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16235	0.7
55.01752	1.1
57.03315	2.3
59.01251	15.5
63.65409	0.7
65.00172	0.7
67.01764	0.9
69.03313	2.5
69.90238	3.1
71.01260	14.3
72.99194	1.7
73.02801	2.4
75.00758	4.8
79.01763	1.1
83.01254	2.6
85.02824	11.8
85.03928	1.7
87.00736	2.3
87.05506	0.7
88.44955	0.7
89.02309	3.9
95.01270	2.7
97.02817	1.9
99.00752	2.9
99.04424	0.7
101.02319	5.9
107.01273	10.0
110.54149	0.7
111.00771	4.6
113.02340	8.4
119.03386	1.1
121.02794	1.3
123.00772	10.7
124.01570	2.2
125.02342	67.0
126.02666	1.8
126.03642	0.9
128.03426	3.1
129.01817	3.3
136.98721	1.2
137.02391	1.6
139.00246	2.5
140.01111	1.8
141.01851	1.8
149.02336	0.9
150.03241	0.8
151.00293	8.6
151.03893	0.9
157.06099	2.2
161.02414	1.1
161.04427	1.4
165.05527	0.8
168.00534	3.5
169.01344	85.6
170.01700	2.5
175.03912	1.3
175.07501	0.9
178.06015	0.8
193.01456	0.7
203.03436	6.1
204.04211	14.8
205.03430	1.4
211.02435	2.8
219.06586	100.0
220.06917	5.3
241.03546	1.2
249.06192	1.1
253.03506	1.0
261.07651	1.4
271.02420	1.7
271.05176	0.9
275.11722	0.6
284.03214	0.8
286.10681	1.6
299.01950	2.1
300.02826	0.7
313.05658	84.0
314.05835	3.6
329.06674	5.4
329.10312	1.7
428.46701	0.7
432.66171	0.7
473.20786	1.0
491.21582	1.2
532.28271	1.2
533.13104	86.4
533.21808	11.7
533.30011	10.7
534.13416	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	533.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.2
58.38886	0.6
59.01249	20.5
70.72250	2.1
71.01253	3.5
75.00739	1.2
81.03317	0.8
83.01250	0.9
85.02849	1.5
85.03960	1.7
87.00690	0.7
89.02304	1.0
93.03336	0.9
96.95884	4.2
99.00773	0.7
101.02325	2.5
105.03356	1.6
107.01281	2.2
113.02319	1.5
115.00298	0.9
121.02803	0.6
123.04396	1.0
125.02384	1.2
128.03386	1.2
140.97595	0.6
145.02896	0.7
149.02335	9.2
157.06078	1.2
161.04610	0.8
183.04599	0.7
185.06010	2.1
195.04579	0.8
209.08192	0.7
211.03973	1.0
215.03476	1.0
224.04747	1.4
227.07085	2.8
239.03403	4.4
240.04228	1.9
252.04256	1.1
255.06606	17.2
267.02969	2.3
267.06445	0.8
268.03748	18.8
268.09354	0.9
269.04028	1.6
273.07678	2.1
282.72403	0.8
285.04544	0.7
295.02499	1.1
296.03244	56.7
297.03531	4.9
311.05594	100.0
312.05966	7.6
331.76288	0.7
342.27127	0.7
487.85440	0.9
491.15338	0.7
533.20374	4.3
533.29614	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	533.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	11.1
59.01252	17.7
70.43007	9.8
80.59756	2.1
85.02839	4.6
86.09445	2.4
90.78674	2.4
99.04413	12.1
101.02319	8.0
107.01266	4.5
113.02314	3.7
125.02332	7.2
142.24771	2.3
163.00247	3.1
174.03111	3.0
187.03975	4.0
211.03915	2.9
215.03452	2.7
227.03461	24.8
228.03833	2.9
229.05060	9.3
254.72998	2.7
255.02959	60.3
256.03445	8.3
257.04581	4.9
284.03271	82.9
285.04016	100.0
285.07190	5.8
286.04398	6.0
353.10312	7.5
371.20602	2.9
389.21838	5.9
489.10342	38.1
490.10446	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	533.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66519	0.9
52.72424	1.1
54.82864	0.8
55.11012	1.0
56.63738	0.9
57.03318	7.4
59.01249	19.1
63.02272	1.9
71.01259	5.9
73.02839	3.0
75.00758	1.0
83.01260	2.4
84.95004	2.7
85.02818	2.2
87.00779	1.3
89.02323	2.2
95.01288	0.9
98.19697	1.3
99.00772	0.9
99.04389	10.1
101.02317	5.9
107.01276	2.4
109.02845	1.5
113.02357	2.0
118.41815	0.8
125.02308	6.5
125.19724	0.9
127.53324	0.9
133.02853	4.5
134.03654	1.4
148.01535	1.2
149.02390	1.7
149.04460	1.0
149.41971	0.9
151.00244	5.0
161.04440	2.0
169.01323	2.2
175.03954	1.2
187.03961	1.0
199.03986	1.7
211.03917	1.5
212.04625	1.3
219.26019	0.9
227.03502	3.2
255.02922	3.7
256.03705	4.0
264.47928	1.0
284.03247	78.3
285.04007	100.0
286.04327	7.8
301.03265	1.0
311.12912	1.4
371.20563	1.2
388.48166	1.0
389.21646	3.2
447.09149	1.7
489.10358	87.4
490.10715	12.7
533.18927	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	2.9
59.01256	22.1
69.38224	23.8
71.01258	14.6
76.85560	2.3
81.03322	6.0
83.01258	4.7
85.02821	9.2
87.00778	3.6
89.02297	6.7
95.04902	5.3
97.02799	4.0
98.19759	4.3
101.02321	7.0
101.05930	2.4
107.01254	2.4
111.00735	3.0
113.02317	4.6
121.02804	2.3
123.04398	4.4
123.08006	3.3
125.02349	16.2
125.05994	4.5
129.01819	2.2
165.09070	4.1
167.03421	20.3
179.10703	10.7
209.08180	4.9
221.08130	7.3
227.03339	6.2
233.08159	6.5
247.09793	4.0
251.09230	82.7
252.09653	3.6
255.03041	12.2
275.09256	19.7
283.02469	3.1
284.03275	25.5
285.04010	45.8
286.04477	3.5
293.10275	4.0
329.06598	4.3
353.23209	5.5
371.24368	4.8
413.14502	100.0
414.14758	6.8
473.18094	8.1
489.10559	14.3
491.19147	7.6
533.19507	7.5
533.29388	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	533.094
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93383	2.1
57.03324	6.1
59.01253	43.1
69.65045	4.8
69.65462	15.6
71.01258	21.3
72.99182	2.5
73.02810	5.1
75.00748	4.6
81.03355	7.6
83.01255	7.9
85.02827	22.7
87.00744	11.5
89.02321	15.8
94.77643	2.2
95.04897	8.3
97.25822	2.2
99.00753	6.9
99.04423	5.3
101.02327	13.3
101.05956	3.2
107.01279	3.5
111.00782	3.6
113.02320	12.6
119.03422	4.6
121.02821	5.1
123.04444	3.2
123.08023	3.2
125.02345	23.0
125.06002	8.1
129.01833	4.6
137.02402	2.8
141.09152	2.8
149.02330	3.7
151.00266	3.5
165.05489	3.5
165.09117	7.0
167.03391	18.6
179.10707	8.6
183.10149	4.9
187.04024	4.5
191.03415	2.4
205.03481	2.6
207.10133	3.9
209.08186	18.1
221.08064	6.7
227.03467	11.7
229.05089	6.0
233.08194	7.7
247.09531	3.0
251.09215	100.0
252.09566	5.3
255.02942	31.5
256.03708	2.7
257.04526	4.2
265.18021	3.8
275.09274	25.5
276.09433	3.2
277.07184	3.4
281.07922	3.1
284.03265	44.8
285.04031	68.1
286.04404	6.2
293.10336	4.1
299.02081	4.0
305.10284	2.9
313.03543	3.1
314.04254	9.2
329.06619	9.7
329.14011	3.2
335.22412	3.0
353.10135	6.2
353.23352	10.0
371.24496	12.8
413.14554	95.6
414.14832	7.9
443.15326	5.0
473.11456	3.8
473.18094	8.7
489.10211	19.9
491.19009	11.8
515.28503	4.3
533.20026	12.4
533.29590	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	531.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65501	1.0
54.31665	1.2
57.03320	2.9
57.82362	1.0
59.01252	19.4
62.63723	1.2
68.99679	1.4
71.01254	25.4
71.58735	2.0
72.99181	8.2
73.02809	2.0
75.00746	22.5
78.95718	1.4
83.01271	1.2
85.02345	2.1
85.02828	31.5
87.00759	9.5
89.02332	6.0
95.01269	7.5
99.00751	11.5
103.00228	3.4
106.79329	1.1
113.02331	39.1
115.00278	1.2
117.01832	3.7
129.01826	3.0
157.01379	1.5
175.02330	6.4
184.47403	1.2
186.76543	1.1
205.07082	4.3
249.06140	8.6
267.07159	10.2
279.23166	1.6
281.24850	91.0
282.25171	7.8
363.40067	1.5
513.30695	1.4
531.31744	100.0
532.32190	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	531.3175
Annotation	L-olivosyl-erythronolide B
Peak:m/z	Relative Intensity
51.47849	1.2
57.03328	2.9
57.84985	1.1
59.01255	12.1
63.45893	1.2
68.99673	1.5
71.01254	18.1
71.58879	1.7
72.99187	5.7
73.02773	1.7
75.00751	20.9
82.36698	1.3
85.02820	20.4
87.00745	8.5
89.02303	4.3
90.48296	1.1
92.91608	1.0
93.03356	1.3
95.01254	4.8
99.00760	11.3
103.00268	2.0
113.02338	25.3
114.02560	1.2
117.01810	2.8
128.78217	1.2
129.01823	1.3
175.02408	3.6
183.33533	1.2
231.05081	2.0
249.06151	17.1
267.07245	2.9
281.24866	100.0
282.25177	9.9
380.27142	1.5
513.30566	3.7
531.31726	85.8
532.31989	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	531.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86139	0.4
53.30275	0.4
59.01250	100.0
60.01577	0.9
62.96269	1.0
69.24928	1.3
69.25342	3.7
71.01250	0.7
73.02831	1.3
74.91212	0.5
78.95776	3.4
80.97359	1.7
89.02338	0.6
101.02330	0.7
116.79738	0.4
135.91023	0.4
136.67807	0.4
141.40479	0.5
149.00012	0.6
161.50775	0.4
167.99342	0.5
175.57236	0.5
235.01410	0.5
278.21793	0.5
355.16611	0.8
385.17972	1.1
429.20895	0.5
449.15042	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	531.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68785	1.6
55.01759	3.2
57.03331	3.8
58.00460	5.2
59.01249	94.7
60.01603	2.1
63.21671	1.4
63.30920	1.3
63.50874	1.3
69.28214	3.7
69.28620	14.0
71.01254	100.0
72.01607	1.5
72.99184	6.1
73.02823	18.4
75.00734	1.7
75.58515	1.5
76.64571	1.3
82.75301	1.4
83.01246	7.1
85.02827	43.3
85.99991	2.5
87.00751	18.0
89.02318	98.4
95.01268	8.1
96.95882	10.4
97.02815	2.9
99.00769	6.5
101.02319	65.5
101.34206	1.6
102.02684	1.6
109.02834	1.5
111.00772	3.6
113.02335	45.2
115.00248	2.1
119.03391	33.5
119.04848	1.9
119.30941	1.3
125.02339	4.4
129.01810	4.7
131.03397	23.0
137.09644	2.8
143.03394	10.2
149.04475	2.9
152.01080	3.1
159.02902	4.1
161.04459	45.1
162.04842	1.6
163.03899	1.8
179.05534	93.3
180.05884	3.5
189.33791	1.3
205.03482	2.7
221.06616	76.1
222.06972	3.3
223.04395	3.2
263.07755	25.6
264.08142	2.1
271.02393	2.3
300.02628	3.0
301.03601	3.6
369.08499	1.6
463.08923	3.1
531.18024	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	531.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15329	0.2
55.14461	0.2
56.95404	0.2
57.03326	2.4
59.01253	5.3
61.98707	1.6
62.32062	0.2
65.00259	0.7
66.99445	0.2
69.03355	0.3
71.01260	3.6
71.58743	0.2
72.99229	0.4
73.02880	0.8
75.00748	1.3
81.03331	5.8
82.25037	0.2
82.95299	0.4
83.01254	1.8
83.02426	0.2
85.02825	3.6
87.00826	1.0
89.02320	2.1
93.03387	0.3
95.01322	0.5
96.64015	0.2
97.02888	0.4
99.00755	1.4
101.02328	1.7
107.01342	0.8
109.02957	0.3
111.00784	0.6
113.02340	2.1
119.03467	0.4
121.02872	0.3
122.03622	1.6
125.02338	17.2
126.02722	0.5
127.11246	0.5
129.01918	0.6
129.09160	0.3
131.03430	0.5
135.04463	0.4
137.02397	0.9
139.03925	0.3
149.02338	1.9
149.04457	0.3
151.00261	2.0
151.04008	0.2
151.11172	2.7
153.09122	5.3
153.10272	0.4
161.04539	0.4
162.03191	0.7
164.01180	0.3
167.03525	0.3
169.01416	0.5
179.03448	0.7
191.03404	0.7
191.05602	0.3
193.12279	22.9
194.12636	1.5
205.03497	0.5
219.10260	1.0
237.11287	100.0
238.11617	5.8
247.47041	0.3
249.06149	0.5
261.11380	2.0
279.12347	0.4
309.08237	0.4
419.11829	1.8
429.22745	0.4
471.25818	0.3
513.20404	0.4
531.20612	15.1
532.21136	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	531.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.5
57.03322	4.3
58.00474	1.0
59.01252	37.1
67.01752	1.8
67.02083	0.4
68.99689	2.5
69.03338	1.7
70.45992	0.4
71.01257	23.9
71.60069	0.5
72.99178	7.0
73.02821	2.0
74.00461	0.4
75.00749	21.2
81.03342	0.9
83.01268	2.1
83.04897	0.5
84.02061	0.8
85.02825	70.0
86.03164	1.3
87.00756	8.8
89.02316	6.0
91.03895	0.9
93.03348	1.0
95.01261	5.4
97.02825	0.8
99.00761	12.0
99.04395	1.0
101.02331	1.6
103.00249	2.6
108.02048	0.9
109.02830	1.6
111.00767	3.4
111.04402	0.7
113.02335	26.5
114.02646	1.1
115.00246	2.3
115.59904	0.4
117.01839	3.0
121.02840	5.2
123.00793	1.2
123.04391	1.1
125.02334	2.8
129.01799	3.2
131.03394	0.6
134.03615	0.5
135.02902	1.2
135.04398	0.5
137.02316	1.2
139.00246	1.2
143.03419	0.5
147.04413	1.0
148.83803	0.4
149.02361	0.5
151.03845	0.7
152.01044	0.6
152.03458	0.6
157.01341	1.9
159.04468	0.7
159.06557	0.5
161.04506	1.0
161.05963	0.7
162.06787	17.5
163.03900	0.6
163.07393	1.3
165.05495	0.7
169.01309	1.3
171.02914	0.7
175.02429	3.5
175.07529	1.0
177.01884	0.8
177.09096	3.8
188.04747	2.4
189.03860	0.7
189.05377	0.6
203.07104	2.6
205.03400	0.9
205.07130	1.7
207.04955	0.8
207.06619	1.3
221.08150	16.0
222.08456	0.7
223.04530	2.8
223.08156	1.1
231.05051	2.0
233.04445	0.7
249.06151	33.6
250.06546	1.9
267.07220	49.8
268.07556	2.3
281.10312	1.7
285.03677	0.5
295.11874	1.0
312.69669	0.4
316.06287	0.4
385.11688	0.5
411.13065	0.7
439.12302	2.3
453.13977	1.8
454.14755	0.6
471.15067	100.0
472.15457	13.1
531.16748	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	530.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85218	0.4
60.30984	0.3
70.33311	1.1
70.33691	0.7
71.01273	0.3
78.95776	19.2
93.25182	0.4
96.95893	1.5
152.99457	3.5
168.04221	2.4
190.83339	0.4
224.06871	8.3
225.07199	0.5
242.07930	1.5
255.23262	100.0
256.23590	8.4
280.23840	0.4
480.30927	51.9
481.31259	8.1
530.30267	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	12.6
59.01261	12.4
62.79029	7.2
67.01768	11.2
70.85824	21.7
71.01260	12.7
71.62684	6.6
83.01276	25.7
85.02811	10.0
92.21429	7.8
95.01270	21.5
97.02821	9.9
111.00773	53.6
113.02329	12.0
121.43170	7.2
123.00790	21.0
124.01539	7.1
125.02338	100.0
127.00262	20.1
134.03674	11.1
137.02318	14.5
139.00279	76.4
140.01074	10.7
141.01859	29.0
145.01285	7.5
154.99760	23.7
161.02368	7.8
163.03998	9.3
166.99811	69.1
168.00511	10.5
169.01331	92.7
173.02170	7.6
177.01849	8.6
182.99271	20.8
184.00085	13.8
185.00853	25.9
189.01920	10.6
191.03444	14.7
193.05055	12.1
196.57840	7.8
211.02393	11.9
217.01338	12.9
245.00902	16.0
261.00458	14.9
270.98883	17.8
271.04636	27.5
288.99863	17.3
313.05396	12.8
329.05154	16.4
331.06577	13.6
335.48071	10.1
416.19159	9.0
469.06259	13.1
513.95502	9.7
531.06238	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	529.3018
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
57.03311	3.0
57.98749	0.9
59.00991	1.2
59.01255	15.7
68.84585	0.9
68.99692	1.7
69.03331	1.3
69.39752	2.0
69.40150	7.8
70.45711	0.8
71.01257	20.6
71.92964	0.8
72.99184	7.8
73.02818	1.3
75.00748	24.0
78.95769	0.9
81.03380	1.2
85.02829	23.2
87.00761	8.3
89.02323	3.9
95.01267	5.8
97.20981	0.9
99.00765	12.0
103.00269	2.4
106.22012	0.9
113.02329	30.9
114.02651	1.2
115.00262	1.7
117.01830	3.5
125.09582	1.2
129.01857	1.8
139.00288	1.0
143.19081	0.9
152.01312	1.0
157.01318	2.0
158.83977	0.9
175.02393	3.5
205.07106	1.4
231.05135	3.3
249.06133	24.8
250.06453	2.2
266.82333	0.9
267.07272	3.0
279.23300	100.0
280.23608	10.0
293.21280	1.0
350.33698	0.9
360.50067	1.1
388.00980	1.2
469.28293	1.3
476.80725	1.1
511.29056	3.6
529.30176	83.3
530.30487	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	529.3019
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
50.29171	1.2
50.98889	1.3
55.01756	1.4
55.86848	1.1
57.03316	4.7
59.01249	18.2
71.00892	1.7
71.01256	22.3
71.58689	1.5
72.99181	6.8
73.02808	2.2
74.11714	1.2
75.00745	23.0
78.92435	1.1
78.95777	11.6
83.01269	1.4
85.02824	28.6
85.03339	1.5
87.00742	9.0
89.02321	5.2
95.01266	7.3
99.00767	13.6
103.00249	3.4
103.67457	1.2
104.20473	1.2
113.02330	45.4
114.02689	1.5
114.56095	1.1
115.00249	1.8
117.01820	3.0
129.01857	2.8
150.40979	1.3
168.04292	1.9
175.02379	3.8
205.07149	2.9
223.08185	2.8
224.06830	3.6
231.05115	1.6
238.97791	1.4
249.06154	9.8
255.21181	1.0
255.23268	63.7
267.07239	8.4
279.23294	92.0
280.23605	9.4
480.30920	38.2
511.29132	1.7
529.30176	100.0
530.30493	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	529.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59644	0.2
55.01758	0.5
57.03336	0.5
58.00478	0.4
59.00952	0.5
59.01252	9.6
69.32667	2.3
69.33072	0.5
71.01256	7.2
72.99157	0.4
73.02810	1.2
83.01251	0.8
85.02819	1.7
87.00749	0.8
89.02321	7.0
93.75520	0.3
95.01247	0.7
95.04922	0.4
99.00695	0.4
101.02332	8.5
101.03004	0.4
108.59516	0.2
111.08059	0.5
113.02339	3.6
113.09573	0.6
119.03394	2.1
125.02267	0.3
141.09085	0.4
142.43227	0.3
143.03375	0.6
149.04498	0.3
152.99478	0.4
161.04475	3.5
177.12767	0.3
179.05559	1.5
179.14319	1.0
195.13855	10.6
196.14404	0.9
205.12277	0.7
205.15953	0.5
211.13304	0.5
223.13362	6.2
224.13849	0.7
228.13634	0.7
231.21210	0.4
249.22034	0.3
253.09274	30.9
254.09508	1.7
256.13120	1.5
265.21536	0.6
275.04367	0.3
275.20148	6.2
276.20551	0.6
293.21237	100.0
294.21564	10.0
428.45013	0.3
447.61417	0.3
452.27692	0.3
492.21918	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.9
55.58039	0.6
57.03328	5.7
58.00472	1.0
59.01252	18.8
60.01585	0.7
61.98704	1.9
63.84139	0.7
68.96362	0.6
68.99698	1.4
69.46758	5.5
71.01259	23.5
72.99178	5.6
73.02820	3.5
73.89129	0.6
75.00752	25.8
80.16971	0.7
81.03273	0.7
83.01266	3.6
83.04880	0.8
84.02051	0.8
85.02826	33.0
87.00748	8.2
89.02321	8.0
94.53507	0.7
95.01285	4.3
96.95911	0.6
97.02827	1.2
98.20614	1.1
99.00764	7.6
101.02328	7.7
103.00249	1.3
109.02835	0.7
111.00827	0.9
112.01551	1.0
113.02335	28.1
115.00262	1.9
117.01788	1.6
119.03371	2.1
119.04855	1.1
125.02349	6.6
127.00301	0.7
127.03942	1.0
129.01828	1.8
131.03423	1.3
135.04398	0.7
137.02333	1.4
143.03372	0.9
157.01384	1.3
159.36990	0.7
161.02336	0.8
161.04465	1.1
169.01393	5.0
173.04381	1.4
175.02431	3.5
177.01808	0.7
191.05643	0.7
193.84621	0.6
202.06195	0.8
209.02940	1.8
209.08237	0.9
209.11800	1.2
228.58772	0.7
232.92879	0.6
267.07190	0.9
283.13580	1.1
321.88657	0.7
482.01624	0.8
511.21558	0.9
529.22888	100.0
530.23260	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	529.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.2
57.03331	5.2
58.00449	0.6
59.01252	20.3
61.98697	2.7
66.12196	0.7
68.99672	1.2
69.03336	0.8
71.01257	27.0
71.59097	0.9
72.99183	4.5
73.02842	3.9
75.00749	27.7
83.01269	3.3
85.02824	34.3
86.03140	0.7
87.00733	8.1
89.02316	6.7
95.01250	3.2
99.00764	9.6
101.02329	7.2
101.06007	0.8
103.00254	0.9
105.61870	0.7
109.02847	0.7
111.00758	1.0
113.02338	28.5
115.00247	2.2
116.01060	1.0
117.01835	1.9
119.03403	1.7
119.04928	0.8
123.04305	0.6
125.02332	7.7
127.03896	1.1
129.01852	1.7
131.03374	0.7
134.77219	0.7
137.02347	0.9
141.49492	0.6
157.01300	0.9
161.04436	1.7
165.05489	0.7
169.01328	4.8
173.04417	1.2
175.02388	2.9
186.15475	0.6
209.02982	2.2
209.11743	1.0
228.24298	0.7
252.14561	0.7
274.11679	0.7
283.13416	0.9
287.62741	0.7
529.22906	100.0
530.23230	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	529.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60793	1.1
59.01249	10.8
59.20336	1.0
61.18799	1.0
71.01251	5.7
71.29346	2.7
78.95769	18.4
85.02806	1.8
89.02304	6.5
90.08839	1.1
96.96828	1.9
101.02353	6.7
113.02337	2.9
119.03378	2.4
132.82571	1.2
152.98308	2.1
152.99489	30.9
161.04411	3.3
171.00517	1.2
188.34818	1.1
195.13770	8.0
223.13283	4.9
253.09264	29.3
275.20120	5.3
293.21222	100.0
294.21536	8.4
340.31683	1.2
395.14484	1.2
419.14407	1.1
438.17230	1.2
447.21466	8.4
466.07434	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62455	1.9
55.01730	2.0
57.03310	3.0
59.01252	100.0
62.90124	1.7
66.73845	1.6
69.46788	5.6
69.47215	9.3
71.00891	2.8
71.01257	38.5
71.04908	1.8
72.99169	4.0
73.02824	16.9
73.77702	1.7
75.00746	2.2
78.01742	1.7
83.01260	8.3
84.13864	1.7
85.02814	15.6
87.00787	2.7
87.04375	3.6
89.02309	19.4
95.01228	4.3
96.95879	1.9
101.02327	25.3
111.00799	2.1
112.01565	2.2
113.02331	17.7
119.03392	5.2
121.02818	1.8
125.02339	6.1
131.14696	1.7
135.04341	2.8
143.03433	2.3
149.04419	2.2
151.00311	1.8
161.04453	4.1
163.03909	2.0
164.04604	1.8
169.01375	1.8
175.88708	2.1
179.05524	2.2
193.12183	1.7
197.88010	1.8
227.03299	2.0
237.14902	3.0
261.18417	2.0
399.20236	7.6
423.23679	2.9
441.24826	6.8
447.08905	2.1
467.22867	4.0
485.19626	13.8
485.23981	25.2
486.19849	2.1
486.24670	2.1
529.22931	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	529.208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50791	0.9
59.01237	2.3
59.11519	1.0
61.56999	0.8
64.30434	0.8
64.59112	0.9
69.94490	3.1
69.94903	1.7
71.01254	1.1
73.84791	0.8
78.95747	0.8
98.20029	1.7
143.88033	0.7
149.06007	0.9
154.12675	0.8
167.33012	0.7
216.34625	0.7
239.03571	0.8
254.05818	32.0
255.06201	2.3
267.10217	1.9
269.08124	2.2
278.09412	4.3
281.11810	1.8
291.10327	4.8
293.11823	10.2
294.08932	1.5
294.12036	1.0
295.09738	6.1
305.21100	1.3
309.11426	6.6
310.12088	50.0
311.12430	4.5
323.22168	0.9
325.14438	100.0
326.14807	9.1
367.21439	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29844	0.3
50.89603	0.3
53.52236	0.2
59.01255	7.5
61.98695	0.9
62.85358	0.3
69.36987	2.7
71.01265	0.8
85.02831	0.9
89.02324	0.6
92.04965	0.3
101.02314	0.4
109.02907	0.3
113.02393	0.4
125.02329	1.2
136.03941	7.8
137.02373	0.4
150.09154	100.0
151.09503	4.0
161.06021	0.3
192.00516	0.6
193.01060	0.3
204.21013	0.3
241.12271	0.3
246.58105	0.3
270.75037	0.3
273.14914	0.7
275.90463	0.3
286.93814	0.3
292.20135	0.3
315.08856	0.4
316.09009	0.5
359.10571	0.4
367.11902	0.4
381.14526	0.3
424.24921	28.4
425.25238	3.6
430.09055	0.7
431.09195	2.1
432.09433	0.4
468.24002	1.7
469.24280	0.6
492.56305	0.3
528.26215	0.3
529.26862	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86369	0.4
59.01249	2.1
62.54409	0.4
71.01233	1.2
73.02808	0.7
78.95774	5.0
79.95605	2.9
85.02822	0.5
85.84190	0.4
89.02303	0.7
90.71616	0.4
96.95888	100.0
96.96783	6.2
98.19754	0.8
101.02305	0.7
105.06670	0.4
107.69059	0.4
110.24422	0.5
113.02357	0.7
119.04898	0.4
125.02325	0.8
127.02920	0.4
134.03563	0.8
140.36707	0.4
147.04283	0.4
155.21996	0.4
193.05009	0.7
212.92657	0.4
227.03450	4.7
229.05000	0.9
243.02849	0.5
255.02979	5.9
256.03540	0.9
257.04510	0.4
284.03256	7.5
285.04041	9.4
286.04416	0.5
347.72009	0.4
383.00729	0.8
414.99854	0.5
431.09790	17.0
432.10120	1.6
529.26678	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49770	0.3
59.01252	100.0
60.01590	1.0
60.26897	0.3
71.01665	0.3
78.95799	0.8
152.99538	0.6
277.21744	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	527.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.3
58.00490	0.3
59.01253	100.0
60.01588	0.8
61.98703	2.3
71.01251	6.2
71.01613	0.4
71.06668	0.6
71.07012	0.3
72.99199	0.6
75.00761	1.1
83.01273	0.6
85.02835	1.8
87.00763	1.1
88.70596	0.3
89.02324	9.6
95.01302	0.4
96.95937	0.3
100.22606	0.3
101.02322	4.3
113.02349	3.3
119.03400	3.4
125.02377	0.9
131.03403	0.6
143.03442	1.1
149.04486	0.5
161.04510	1.6
165.12860	0.8
179.05518	3.1
209.08165	0.3
216.22418	0.3
232.01369	0.3
247.20555	0.5
253.09406	0.7
291.19705	3.5
336.37216	0.3
467.30365	0.6
527.24762	1.9
528.25934	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20177	2.3
57.03321	2.8
58.00482	2.7
59.01253	32.2
61.98724	5.7
71.01254	41.3
71.60205	4.9
72.99191	6.1
75.00750	4.4
83.01289	2.9
85.02832	14.6
87.00744	3.8
88.03925	4.2
89.02303	4.2
99.00765	5.3
101.02328	4.9
109.02859	3.2
111.00716	4.1
113.02333	5.4
114.01861	10.2
115.00268	53.6
116.35459	2.7
125.02366	6.6
132.02928	6.3
134.03674	2.7
139.00285	2.6
145.02856	6.3
149.05983	3.4
150.10303	2.8
150.92934	2.5
163.03844	2.6
169.01320	2.9
222.06831	2.9
223.07607	4.2
234.06781	4.0
235.07834	3.4
251.07089	34.2
252.07587	4.3
262.06317	3.8
263.07108	7.8
268.07355	2.9
272.85315	3.4
277.05118	3.3
278.05872	4.3
278.09201	4.2
279.03653	5.6
279.06644	87.4
280.07138	12.4
293.08240	11.0
294.09076	48.7
295.09326	7.1
301.03513	3.2
305.07074	3.8
306.07724	10.9
307.09177	4.3
309.11414	20.3
310.07333	7.2
320.09503	4.0
321.06445	3.8
321.10092	5.3
322.07150	31.5
323.08154	18.4
324.08936	2.9
332.08932	3.3
336.08594	5.5
337.09744	16.3
338.10785	15.9
350.10254	5.8
352.11905	32.3
353.10239	55.0
354.10577	3.8
392.11252	5.6
397.94214	3.3
406.13007	19.2
407.13370	3.2
409.12073	15.2
424.14050	100.0
425.14548	13.2
468.06598	5.0
468.13022	67.9
469.13489	12.0
528.15100	46.8
528.22046	7.6
529.14929	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	527.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	0.9
58.00478	0.6
58.09555	0.5
58.17743	0.5
59.01253	100.0
59.91102	0.5
60.01594	1.2
61.98713	3.0
67.50480	0.6
71.01255	7.9
72.99165	0.6
73.02821	1.0
75.00756	1.4
80.41112	0.5
83.01248	0.9
83.84599	0.6
85.02838	2.1
87.00748	0.7
89.02310	8.5
93.89786	0.6
93.90412	0.5
95.04913	0.5
99.00722	0.7
101.02348	2.9
111.00834	0.7
113.02304	3.7
119.03391	3.5
119.46156	0.6
125.02339	5.0
136.03935	3.5
137.02341	1.0
149.04565	0.7
150.09155	51.6
151.00266	1.2
161.04523	1.0
161.06044	1.1
179.05591	2.6
192.00577	3.7
193.01334	1.4
196.74068	0.6
205.01414	1.6
209.11780	1.1
233.48918	0.6
237.30112	0.5
291.19519	1.2
313.07251	1.3
315.08716	3.5
330.11246	0.9
358.10703	2.2
424.24936	17.4
430.09021	13.8
430.14380	1.1
431.09375	1.4
468.24139	1.2
527.24957	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25144	0.2
57.03321	0.8
59.01255	6.8
69.03315	0.4
70.16386	0.9
70.16807	0.5
71.01257	3.9
72.99186	0.3
73.02804	0.5
79.23567	0.2
83.01263	0.5
83.04894	0.6
83.35532	0.2
85.02831	1.0
87.00764	0.5
89.01828	0.3
89.02327	3.3
90.15497	0.2
95.01249	0.4
95.04889	0.5
97.06460	0.5
101.02325	4.1
109.06439	0.3
111.08043	6.7
113.02327	2.1
113.09565	0.4
119.03396	1.0
121.10070	0.6
123.08006	0.4
125.02314	0.3
125.09596	1.0
127.11127	0.4
135.11702	0.3
137.09570	0.6
139.11235	0.4
143.03416	0.6
149.09612	0.5
151.11226	0.3
153.12743	0.5
159.11667	0.3
161.04471	1.1
165.12755	0.3
167.10701	1.2
177.12779	1.5
179.05550	0.7
179.10725	1.3
185.11757	0.6
195.13852	4.3
196.14134	0.3
203.14258	0.5
211.13315	0.5
229.19643	0.4
235.08180	0.3
247.20676	2.6
248.20993	0.4
253.09264	16.2
254.09589	0.5
263.20148	2.7
273.18591	2.6
274.19006	0.5
286.95410	0.3
291.19659	100.0
292.19980	9.3
292.23291	0.4
351.91074	0.3
422.92197	0.3
430.70657	0.3
527.28522	2.1
528.28955	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03296	4.0
59.01250	100.0
69.44544	18.4
70.47630	2.2
71.01254	51.3
72.99174	2.3
73.02817	49.9
75.00736	2.5
81.83282	2.1
83.01254	14.6
85.02847	10.4
87.00751	2.7
89.02309	13.4
94.36049	1.9
95.01270	2.5
97.02808	3.9
101.02323	45.4
107.04904	3.2
108.01978	2.4
109.02836	8.7
113.02317	15.3
119.03402	5.9
119.04934	3.0
122.03644	3.5
124.05189	2.0
125.02333	5.0
133.06485	11.8
137.05960	4.6
139.07574	13.2
143.03426	3.4
149.05922	2.6
161.04459	9.0
186.72618	2.1
204.11201	2.1
205.12282	2.6
217.12331	3.5
228.33202	1.9
250.07994	2.1
280.06876	2.0
313.12799	7.0
331.13922	11.6
372.14261	27.1
373.15103	6.5
439.19815	3.3
483.18695	52.8
484.19312	2.7
527.16534	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	527.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16203	0.8
57.03315	4.2
59.01255	21.7
68.99674	1.7
69.31202	10.6
71.01254	26.1
72.99174	7.0
73.02792	1.9
75.00748	22.4
78.75987	1.0
79.87241	0.9
85.02827	32.8
86.03203	1.0
87.00755	11.5
89.02314	6.0
95.01270	6.8
99.00758	14.9
101.02319	1.4
103.00243	5.4
111.00747	1.2
113.02328	43.8
114.02675	1.0
115.00257	2.4
117.01829	3.2
119.94212	1.0
129.01852	2.2
139.00204	1.3
139.55945	0.9
157.01291	1.4
175.02376	7.2
205.07095	3.3
211.05325	1.0
223.08228	2.1
249.06119	10.9
259.64761	1.0
267.07233	12.6
277.21719	78.1
278.22119	5.6
321.27939	1.0
443.46106	1.1
467.26355	1.6
509.27145	2.9
527.28607	100.0
528.28992	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	527.286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20562	1.1
57.03315	5.0
59.01251	20.8
67.01765	1.4
68.84428	1.0
68.99686	1.5
69.03345	1.9
70.64880	3.9
71.01251	20.2
72.99184	7.5
73.02810	1.8
75.00749	27.6
76.01065	1.2
83.01280	1.3
83.04865	1.6
84.20633	1.1
84.92059	1.2
85.02817	26.5
87.00767	8.0
89.02327	5.0
95.01257	7.4
99.00764	9.8
103.00238	3.6
113.02332	35.0
115.00282	1.6
117.01805	4.0
129.01833	3.1
131.86589	1.1
147.97749	1.2
157.01317	1.3
175.02415	5.0
205.07173	2.2
231.05060	2.9
249.06110	29.7
267.07236	5.5
272.38593	1.2
277.21716	94.4
278.22073	8.6
467.26077	1.3
509.27594	3.7
527.28619	100.0
528.28918	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	527.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.2
59.01251	7.5
71.00889	0.4
71.01256	4.2
71.04889	0.9
71.48460	0.3
73.02814	0.8
78.95773	0.3
83.01257	0.8
83.04879	0.6
85.02814	0.9
87.00742	0.7
89.02330	4.2
95.01266	0.5
95.04904	0.5
97.06507	0.4
99.00760	0.4
101.02330	4.7
106.64792	0.3
109.06421	0.5
111.08041	8.3
112.08405	0.4
113.02325	1.8
119.03357	0.8
125.02399	0.5
137.09622	0.7
139.11220	0.3
149.09615	0.3
152.57272	0.3
155.03395	0.3
161.04521	1.4
161.05630	0.3
167.10666	1.5
171.10182	0.7
177.12811	1.7
179.05493	0.6
179.10681	1.6
180.99878	0.3
193.16055	0.3
195.13844	6.5
203.14339	0.6
209.11835	0.3
235.08191	0.7
247.20746	1.7
253.09262	15.8
254.09601	0.7
273.18619	1.6
291.19656	100.0
292.19992	9.0
421.51578	0.3
488.02972	0.3
527.28735	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	527.1343
Annotation	Gnetuhainin H
Peak:m/z	Relative Intensity
60.84181	0.5
69.53128	4.7
80.68258	0.6
124.81696	0.5
184.61345	0.6
232.32365	0.6
254.49576	0.6
325.08722	0.6
352.07700	0.7
353.08182	0.7
354.05139	1.0
354.09204	0.7
367.09720	1.1
368.07050	0.9
369.07642	2.6
377.08005	0.6
381.07684	1.0
383.09219	2.6
392.06787	0.7
393.07709	1.7
394.08466	0.9
395.09241	1.6
396.06458	0.9
397.07141	5.6
398.07443	1.0
407.05435	1.5
409.07224	1.2
410.08023	1.1
411.03787	1.0
411.08801	12.5
412.09372	1.9
413.10071	1.6
419.05371	0.9
421.07208	14.2
422.07904	4.3
426.06934	1.1
437.10553	1.3
439.07813	4.0
441.09921	4.9
442.10172	0.9
450.07330	1.8
454.10385	1.7
455.11432	8.1
456.11923	1.4
457.12085	0.6
465.09897	9.1
466.10388	3.9
467.10931	1.3
470.10263	0.8
483.10675	8.0
484.11215	1.6
485.12491	2.0
494.10132	0.9
509.12396	11.4
510.12537	1.8
527.13477	100.0
528.13776	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	527.068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71469	2.0
57.03310	4.5
59.01248	9.8
63.02272	3.6
65.00195	7.1
69.03323	4.0
69.94630	1.9
71.01257	11.4
72.99169	7.6
73.02786	2.9
75.00728	2.3
77.51453	2.0
80.96388	7.5
82.47815	2.0
83.01256	11.1
84.02119	2.4
85.02831	10.1
86.78542	1.9
87.00762	3.6
89.02287	4.6
91.01752	2.3
95.01267	14.8
96.99162	1.9
97.02813	5.8
98.19743	4.1
99.00747	9.4
101.02325	3.4
103.00264	2.7
106.70129	1.7
107.01284	15.0
109.02837	28.4
111.00742	12.1
111.06470	2.0
113.02315	13.5
116.03063	1.8
121.02837	5.2
123.00766	11.4
123.04425	3.3
124.01554	4.6
125.02351	26.8
127.00307	3.1
133.02837	2.6
135.00758	6.3
135.04349	2.9
136.98589	2.0
137.02361	12.4
139.00272	20.1
139.03923	3.0
140.00810	2.0
141.01837	6.4
147.00804	2.8
147.04393	2.4
149.02376	6.9
151.00290	51.1
152.01096	10.8
153.01872	24.4
154.99768	9.4
157.01320	2.6
159.04445	6.3
161.02339	4.2
163.00281	34.9
163.03802	2.6
164.00731	2.3
164.98288	4.0
165.01825	8.7
166.99765	14.8
167.03452	2.5
169.01349	22.2
171.04460	3.5
173.05937	3.6
175.00278	5.3
175.03850	6.7
177.01825	6.3
178.99786	42.1
181.01389	13.3
185.00772	3.0
185.02385	3.0
187.03940	6.4
189.01874	6.3
189.05492	2.4
190.02559	3.5
190.99741	3.0
191.03485	3.2
193.01328	16.5
193.03455	11.3
194.99237	10.6
197.00870	11.6
199.03891	8.4
201.01826	3.4
201.05504	4.7
203.03445	6.5
205.01338	5.9
206.99290	10.5
207.03011	2.7
208.00139	5.2
209.00917	25.3
213.01999	2.5
215.03534	10.7
217.05022	3.1
219.02946	5.8
221.00821	3.0
222.01505	2.2
222.98784	6.3
223.02446	2.1
225.00406	5.9
227.03392	8.4
229.01506	3.3
229.80927	2.2
231.02882	8.0
233.00943	2.8
235.02449	4.7
243.02951	15.5
245.00870	2.3
245.04594	4.5
247.02425	4.5
249.04193	3.0
259.02469	7.0
261.03989	5.8
271.02417	23.4
272.02911	4.0
273.03952	3.8
287.01941	17.3
288.02631	3.5
289.03604	14.2
298.10693	2.5
299.01886	5.9
301.03528	2.5
307.04227	2.4
315.01514	19.9
316.02032	8.4
317.03015	100.0
318.03253	9.0
325.03558	6.1
333.02515	36.5
334.03033	6.9
351.03500	5.8
352.04556	10.4
357.04736	10.4
369.04742	3.7
373.04099	2.8
385.03958	3.5
391.05008	5.8
401.03665	4.2
493.06406	4.1
505.54599	2.3
509.05731	5.3
527.06580	4.7
527.17841	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	526.315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	20.8
61.98703	0.9
67.14976	0.8
71.57761	1.2
78.95779	14.5
87.19173	0.7
92.51887	0.8
109.57390	0.9
111.57060	0.7
142.26189	0.8
152.99481	2.7
157.90007	0.7
160.18098	0.8
168.04268	1.9
187.43552	0.8
224.06863	7.3
227.20113	100.0
228.20418	5.4
242.08086	1.3
415.42661	1.0
452.27844	50.5
453.28287	4.9
490.32776	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.068
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	5.0
59.01244	10.0
63.02272	5.5
65.00195	7.8
65.96312	3.6
69.35826	17.5
69.36252	21.6
69.76800	4.0
71.01241	6.1
72.34607	3.7
72.99165	9.2
75.00751	4.3
76.64780	4.7
81.03339	6.2
83.01244	8.8
85.02827	6.7
87.00732	5.2
89.02292	3.9
95.01258	12.1
97.02811	6.7
99.00759	8.9
107.01283	12.0
108.02257	4.2
109.02835	32.7
111.00752	9.9
113.02320	10.8
121.02883	5.5
123.00777	11.7
123.04465	5.8
125.02341	32.8
135.00813	6.5
137.02309	12.7
139.00276	18.3
149.02344	6.7
151.00252	47.8
152.01080	9.6
153.01840	23.4
154.99806	9.0
159.04477	6.9
163.00299	33.4
165.01878	10.5
166.99774	12.6
169.01308	12.6
175.00218	4.5
175.03917	5.4
177.01866	6.0
178.99809	36.8
181.01337	14.5
187.03871	8.3
189.01840	4.3
193.01477	9.4
193.03354	9.0
194.99287	6.6
197.00868	8.9
199.03983	5.2
203.03355	5.9
205.01401	6.9
206.99303	13.6
208.00246	4.8
209.00841	29.2
215.03380	7.5
219.02933	5.4
227.03378	5.9
233.04414	5.0
243.02927	13.7
247.02623	5.5
261.03986	9.7
271.02536	18.1
287.01932	13.2
289.03503	10.4
307.04208	4.4
315.01501	17.8
316.02451	5.4
317.03021	100.0
318.03412	6.5
328.26178	4.5
333.02377	35.5
351.03064	5.1
352.04691	5.9
357.04599	11.5
391.04825	4.9
432.71246	4.5
493.06079	6.0
509.05951	6.5
527.07147	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	526.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11424	0.6
55.01763	2.2
57.03322	3.0
57.57873	0.6
58.00457	1.3
59.01253	100.0
60.01587	0.6
61.98697	1.4
62.99406	0.6
63.14644	0.6
65.99799	0.7
69.03341	1.2
71.01255	61.6
72.01625	0.8
72.99201	2.4
73.02821	20.6
74.74303	0.6
75.00766	0.7
78.91773	3.2
78.95773	1.0
83.01258	7.4
84.21495	0.5
85.02821	22.6
87.00783	1.9
89.02320	14.9
95.01257	7.4
97.02846	1.2
98.19772	1.9
99.00763	4.8
101.02322	25.3
102.99320	0.6
112.03947	1.4
113.02334	47.0
114.02660	1.0
119.03416	4.8
125.02366	1.8
128.07051	6.9
128.07777	0.6
131.03423	1.3
143.03461	1.5
154.05070	1.8
161.04460	6.6
169.01460	0.7
178.99847	1.7
179.05560	1.5
190.17372	0.7
229.54187	0.8
260.16574	0.8
298.82983	0.6
304.19186	23.0
305.19748	2.4
322.20316	4.2
323.20886	0.7
466.24454	28.8
467.24884	4.0
484.25510	8.2
485.26016	1.0
526.27020	2.9
528.24677	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.2
57.03327	4.4
59.01250	15.0
66.85492	0.4
68.99700	0.7
69.87328	0.5
70.90956	1.4
70.91319	0.5
71.01257	19.9
72.01591	0.6
72.99181	4.7
73.02823	3.5
73.40527	0.5
75.00747	26.2
83.01256	2.5
84.02055	0.5
85.02824	26.9
85.99995	0.6
87.00758	7.3
88.22761	0.4
89.02327	2.9
95.01260	4.1
98.02370	0.5
99.00764	7.7
101.02326	6.0
105.78843	0.5
111.00774	1.6
112.01542	1.0
113.02329	23.6
114.02670	0.6
115.00278	2.1
117.01815	1.4
121.02858	0.5
123.00769	1.5
125.02340	2.6
129.01848	0.8
134.24654	0.6
135.02896	6.6
139.00296	0.5
150.03157	0.6
151.00272	0.9
154.06450	0.5
157.01364	1.3
159.02943	0.7
161.04405	0.8
165.05522	0.8
169.01344	2.1
175.02397	2.2
177.04059	0.5
180.48647	0.7
195.06458	0.6
259.13284	0.9
267.07291	1.7
282.58255	0.5
323.95059	0.5
349.22263	1.6
465.23779	0.6
483.53198	0.5
507.24683	0.8
525.25519	100.0
526.25836	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	525.2552
Annotation	Murrafoline C
Peak:m/z	Relative Intensity
51.45627	0.4
55.01757	1.8
57.03324	4.1
58.00467	0.6
59.01252	15.5
59.49638	0.4
61.24325	0.4
64.10236	0.4
67.01778	0.5
68.99690	0.7
69.03339	0.6
69.61172	3.0
71.01253	20.5
72.99182	4.5
73.02818	3.2
75.00748	26.7
83.01270	3.2
84.01523	0.4
84.02000	0.6
85.02824	27.0
85.99986	0.6
86.03161	0.5
87.00753	6.8
89.02328	3.2
93.36283	0.4
95.01265	3.1
97.02844	1.2
99.00759	8.4
101.02327	6.4
103.00273	0.6
104.12934	0.4
109.02837	0.4
109.33352	0.4
111.00790	1.4
112.01571	1.0
113.02332	26.1
114.02677	0.5
114.99507	0.4
115.00253	2.1
116.01064	0.5
117.01814	1.4
119.03529	0.5
123.00823	1.2
125.02345	3.6
129.01833	1.0
135.02892	7.7
137.02362	0.8
139.00313	1.0
140.52397	0.4
141.01912	0.7
150.03114	0.6
150.18442	0.5
151.00290	1.5
157.01318	0.9
159.02888	0.5
161.02151	0.4
161.04507	1.1
165.05452	0.7
168.00621	0.8
169.01292	2.4
174.56445	0.4
175.02377	2.6
177.03889	0.7
187.16953	0.5
235.21419	0.4
249.06366	0.5
259.13461	1.2
267.07251	0.9
349.22351	1.9
407.22443	0.7
507.24658	1.0
515.54169	0.5
525.25500	100.0
526.25903	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	525.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.6
60.50203	1.0
70.90337	2.0
70.90689	1.2
72.03851	1.0
78.95770	1.8
80.69742	1.1
86.84938	0.9
91.01768	21.2
93.03346	1.5
98.20238	1.4
108.02062	3.2
109.02831	2.7
121.02853	4.8
123.04439	1.1
133.02863	11.8
134.03653	8.8
134.99828	2.0
135.00780	22.6
135.04410	78.2
136.04742	2.9
148.01575	6.4
149.02341	12.6
153.01839	38.1
160.01503	1.2
161.02327	2.8
169.06494	2.8
180.00546	8.3
182.03595	1.0
183.04480	2.8
196.05254	1.3
197.05989	4.8
198.03145	1.2
199.03918	5.1
201.05508	9.2
213.05431	2.9
224.04665	1.2
225.05510	7.8
226.05945	1.0
227.03464	11.7
228.03880	1.4
241.05009	7.9
251.03476	1.9
253.04779	1.2
253.08623	1.1
254.02246	2.4
255.10281	4.1
269.04547	100.0
270.05194	18.3
271.06110	70.2
272.06433	5.4
293.05502	1.0
384.20856	2.4
525.15540	24.2
526.16089	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	525.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	16.3
59.01255	13.9
61.98705	0.9
69.03341	0.7
70.60571	2.1
71.01255	5.6
73.02802	1.2
75.00759	2.6
78.95757	1.1
81.03330	1.7
83.01258	6.3
85.02840	3.5
87.00762	1.2
89.02314	2.1
93.03348	1.6
95.01284	1.6
95.04927	2.1
97.02802	0.7
101.02338	2.5
105.03350	4.0
108.02000	1.3
109.02846	3.8
111.00809	0.8
113.02325	3.5
119.03352	1.1
121.02865	1.8
122.35738	0.6
123.00805	1.1
123.04435	0.7
124.01502	1.0
125.02343	100.0
126.02687	4.2
133.02850	1.6
135.02951	1.4
135.04449	1.4
137.02350	18.5
146.03632	0.8
147.04462	0.8
148.01578	2.9
149.02365	3.5
151.00330	1.0
151.03915	1.1
152.01064	1.5
152.99527	1.8
159.04433	1.7
160.01556	0.7
161.02357	43.8
162.02902	1.9
163.03960	0.8
164.01079	1.0
164.04712	1.0
165.01874	3.9
165.05592	0.7
166.02626	3.0
169.01366	1.5
175.03960	1.6
177.01906	1.6
177.05438	3.4
178.02589	1.0
179.03447	1.0
179.07141	1.3
183.04460	0.8
185.02499	0.6
191.03470	0.6
197.06068	1.1
199.03940	1.2
201.01830	1.6
201.05470	2.7
205.05022	0.7
209.11786	1.3
219.06578	0.7
225.05444	1.4
227.03432	1.2
229.01337	0.9
241.01509	0.7
241.04974	1.0
269.04645	3.7
283.06232	0.9
286.04849	0.9
287.05460	3.5
310.04846	1.0
325.07230	0.9
329.06912	0.7
341.10413	1.3
344.08911	0.9
359.11301	6.4
362.29745	0.9
387.10983	1.0
412.52695	0.6
463.13885	0.6
477.15726	1.6
481.14951	1.7
494.15939	0.8
507.17532	1.0
508.17154	1.0
524.24280	1.8
524.36517	0.7
525.17755	1.1
525.24988	5.0
526.18530	1.7
534.65228	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.9
59.01249	3.1
59.65866	0.9
67.01761	1.3
67.95238	0.9
69.03329	1.0
69.36022	1.1
70.02457	4.7
71.01248	6.0
79.01754	1.2
85.02827	3.9
91.78406	0.9
93.03354	0.9
94.10905	0.9
95.01299	2.2
97.02847	1.0
99.00760	1.1
101.02312	2.2
101.85005	0.9
107.01266	8.1
108.02039	1.3
109.02830	1.7
111.00754	2.7
113.02323	2.9
119.04892	1.0
123.00774	11.2
123.04345	1.7
125.02338	70.1
126.02687	2.6
136.01540	3.2
136.98686	1.3
137.02322	2.0
138.01942	1.0
139.00243	2.1
139.03897	1.4
139.25998	0.9
140.01007	3.4
141.01822	1.5
148.01569	13.1
149.02333	1.4
151.00275	8.9
151.03819	2.6
153.05482	11.6
163.03922	14.0
165.01880	1.7
166.02625	8.3
167.03378	4.0
168.00540	3.5
169.01343	100.0
170.01633	3.1
178.02635	10.1
179.03424	3.6
181.04990	21.7
182.05374	1.4
193.04994	11.7
196.03618	2.0
197.04480	1.2
211.02382	4.4
211.06096	8.7
231.08272	1.0
241.03485	2.5
253.03523	1.6
265.12970	1.2
271.04529	1.5
295.67453	1.3
313.05661	94.2
314.05945	4.0
323.72986	1.0
465.10437	22.1
466.10526	2.6
495.11517	25.2
496.11743	2.7
501.37549	1.0
507.11429	55.9
508.11978	6.7
525.12378	13.4
525.21625	3.4
526.12469	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02308	0.5
52.93233	0.5
55.01762	1.6
57.15374	0.6
59.01259	8.0
59.79574	0.6
61.31034	0.5
64.17381	0.6
65.00179	0.7
67.01758	2.9
68.61626	0.6
68.99680	1.0
69.03333	0.6
71.01259	7.0
72.99203	0.9
73.02818	1.3
75.00751	2.2
79.01746	0.9
80.30655	0.6
81.01505	0.6
81.03323	1.6
83.01260	2.0
85.02813	3.8
86.47885	0.6
87.00776	0.9
87.04391	0.8
89.02309	2.0
95.01239	3.8
95.04898	1.3
97.02840	1.9
97.06473	1.5
99.00773	7.0
101.02339	2.2
105.06989	1.4
107.01289	3.0
107.04977	0.8
109.02869	0.9
111.00770	20.3
111.04416	4.2
113.02328	3.8
119.04948	0.8
121.06441	1.1
122.03609	0.8
123.00774	11.6
123.04381	0.6
124.01559	2.2
125.02338	25.6
125.05909	1.2
126.02686	1.1
127.00233	0.8
135.04431	1.1
136.98712	0.9
137.02328	0.9
137.06013	1.3
139.00278	31.6
139.07513	0.8
140.01094	5.3
141.01843	9.6
149.02338	0.6
149.05963	4.0
150.03091	0.8
151.00298	2.5
151.07555	5.9
161.04390	0.8
165.01796	1.3
165.05486	17.2
165.98981	1.5
166.99777	72.8
167.07051	1.9
168.00513	7.2
169.01347	32.7
169.05011	1.5
170.01697	1.4
181.04955	5.3
182.05353	1.7
185.00856	16.9
193.04997	40.1
194.05406	2.2
195.06567	29.9
196.06920	2.6
209.04536	6.9
210.05241	16.2
211.02454	10.2
211.06059	100.0
212.06374	4.6
219.06610	4.5
224.45985	0.6
237.07654	1.3
241.03561	1.0
249.07442	0.7
253.06982	0.6
271.04568	24.6
272.04648	1.1
309.43008	0.6
313.05682	16.9
314.05862	1.5
329.05109	1.0
331.06787	5.8
343.29245	0.6
345.06076	2.3
357.11880	15.0
358.12146	1.2
361.05652	0.8
361.29486	0.8
362.06140	0.8
362.30020	1.6
363.06125	2.2
373.11374	27.6
374.11642	1.9
428.09387	0.8
455.08276	11.9
456.08377	1.6
472.97546	0.8
481.13901	1.2
507.11328	2.8
508.11609	0.8
524.35260	3.3
525.12457	69.3
525.25403	2.1
526.12500	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	525.0523
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61355	2.3
55.01733	3.0
56.54382	2.3
57.03312	7.9
59.01253	43.6
62.25119	2.6
65.00198	4.9
67.01736	3.0
69.03326	3.5
70.04712	10.9
70.05129	4.8
71.01255	37.4
72.99171	10.4
73.02809	9.2
75.00745	62.2
81.03297	2.6
81.76985	2.4
83.01256	11.5
85.02821	55.5
87.00748	9.7
89.02323	4.2
93.03326	8.0
95.01244	14.8
96.99136	2.8
97.02825	5.7
99.00747	21.6
101.02318	8.4
107.01286	5.9
107.04907	5.4
109.02827	4.1
111.00773	14.9
113.02319	43.8
115.00246	5.1
119.04916	14.4
119.05658	2.6
121.02838	12.6
123.00748	14.4
123.04404	2.7
124.01517	2.6
124.98742	2.8
125.02319	44.8
127.00236	4.1
129.01837	3.9
132.76515	2.6
135.04417	14.1
136.98705	4.8
137.02338	17.0
139.00264	25.9
141.01768	6.0
147.04402	3.1
149.02339	2.9
149.99509	3.7
151.00281	24.9
151.03918	3.6
152.01117	4.4
153.01830	18.4
154.99739	25.0
159.04425	4.7
161.02393	5.8
161.04335	2.9
163.00272	7.0
163.03911	14.0
165.01822	11.9
165.98897	4.7
166.99797	31.7
167.03362	6.3
168.00594	13.2
169.01361	19.7
175.02467	6.2
175.03894	5.5
177.01846	4.6
178.99762	36.5
179.03424	2.9
180.00420	4.4
180.97806	4.0
181.01318	2.7
182.52817	2.8
182.99245	2.9
185.00906	3.9
187.03958	7.6
190.99774	6.0
191.03404	2.6
193.01352	26.1
193.03326	6.1
194.99297	29.7
195.99530	3.5
203.03343	8.9
203.70268	2.4
205.01376	6.8
205.04944	2.7
206.99261	10.8
209.00882	10.7
209.02834	2.8
213.01872	6.2
215.03465	5.0
217.01393	4.7
219.02821	7.0
222.98738	15.2
223.99484	5.1
229.01427	5.2
231.02911	11.0
235.02379	3.6
241.01248	3.4
245.00899	3.0
249.03996	4.8
257.00830	4.6
259.02356	13.9
275.01913	3.3
285.00507	3.4
287.01901	14.8
303.01563	13.8
305.03073	4.0
307.17517	4.1
308.17407	2.8
312.99966	15.9
314.00085	3.0
321.02390	2.7
327.08786	3.3
331.00916	70.4
332.01352	5.7
349.01996	96.6
350.02322	7.2
373.03754	3.2
385.04123	6.1
525.05255	12.0
525.12860	8.7
525.21863	100.0
525.29144	4.2
525.34180	3.9
526.22620	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	523.349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	4.8
57.03326	8.8
58.00467	2.9
59.01252	61.0
60.01588	0.8
69.03322	1.6
71.01257	71.4
71.04877	1.1
71.33529	0.8
71.33857	0.8
72.01596	1.2
72.99189	4.5
73.02822	16.3
73.19083	0.5
75.00745	2.3
81.03317	1.4
83.01260	9.7
85.02825	26.8
86.03163	0.7
87.00761	4.6
87.04398	1.0
89.02319	39.4
90.02637	0.9
95.01250	6.5
97.02843	1.5
98.68098	0.7
99.00759	5.2
101.02325	49.8
107.01268	1.0
111.00799	1.2
113.02335	32.0
113.09626	0.9
114.02672	1.1
119.02563	1.2
119.03397	17.8
120.25163	0.6
122.87590	0.5
123.00761	1.4
123.08053	1.6
124.08101	0.6
125.02348	9.4
125.05978	0.8
127.11230	0.6
129.01814	1.5
131.03409	2.5
134.03627	0.7
137.02315	1.1
137.09637	0.9
139.00250	0.7
139.11154	0.6
143.03418	5.1
147.91725	0.6
149.02373	0.8
149.04453	1.4
150.03166	0.8
151.00256	0.9
151.03932	0.9
153.09061	0.7
155.10696	1.7
157.12209	3.4
159.02888	4.1
161.04475	17.1
162.04839	0.9
165.01897	0.8
165.09111	2.5
169.01335	5.0
169.12241	1.0
171.13927	1.2
179.03986	0.9
179.05519	8.5
187.13307	3.6
191.01843	0.8
195.06439	0.7
201.14951	2.7
209.08119	4.9
213.25578	0.6
257.21201	1.4
276.09280	0.6
313.05630	2.3
315.25583	1.2
359.28024	4.0
360.28384	1.3
361.29590	73.7
362.29947	7.5
367.09967	0.6
439.08856	3.1
441.16495	0.6
471.25156	0.6
523.15399	5.1
523.22015	5.7
523.34833	100.0
524.14264	0.8
524.35205	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	523.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	3.0
57.03337	4.0
58.00459	2.6
59.01251	54.9
63.52460	0.7
69.03331	0.8
69.29613	9.5
71.01251	48.4
72.01569	1.1
72.99178	3.2
73.02816	8.3
75.00733	0.8
83.01266	4.9
84.02017	0.9
85.02824	17.2
87.00751	1.5
87.04398	1.0
87.79569	0.9
89.02320	28.1
90.02592	0.8
95.01247	4.1
98.20578	1.9
98.69140	0.8
99.00753	3.2
100.17395	0.8
101.02322	26.8
102.02665	1.0
111.00783	1.4
113.02331	17.4
119.03379	10.1
125.02334	2.0
131.03391	1.0
143.03383	1.5
149.04482	1.5
157.12253	1.4
159.02885	2.4
161.04469	5.5
179.05507	2.0
187.13313	2.7
201.14954	0.9
230.15144	1.0
231.15730	1.2
258.55679	0.9
359.28363	1.5
361.29562	26.1
362.29901	3.2
394.99399	0.9
523.34802	100.0
524.35162	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03955	0.4
55.01757	3.8
57.03327	5.8
58.00462	1.8
59.01252	32.4
60.01598	1.0
65.44421	0.5
67.01742	0.4
68.99688	0.5
69.03328	1.0
69.40080	1.3
69.40486	3.0
71.01254	36.1
72.01584	1.0
72.99193	2.2
73.01672	0.7
73.02817	12.6
75.00747	1.7
81.03336	1.0
83.01257	6.4
85.02826	18.9
85.99983	0.6
86.03160	0.6
87.00753	4.1
87.04401	0.6
89.02322	11.1
95.01268	3.9
97.02866	1.2
99.00759	5.7
101.02325	30.1
102.02663	1.5
107.01295	1.4
109.02906	0.5
111.00773	3.9
113.02334	14.2
114.02681	1.1
115.02798	0.6
119.03394	4.5
121.02969	0.5
121.03825	0.7
123.00755	3.7
123.08073	0.7
124.01552	0.7
125.02344	15.3
125.05975	1.1
126.02669	1.9
127.02779	0.5
127.11234	0.5
129.01801	1.5
135.04451	0.7
139.00249	0.9
139.11177	0.7
140.01054	0.7
143.03381	1.5
149.04416	0.7
151.00276	2.3
151.03873	0.6
155.10699	0.5
157.12254	1.7
159.02872	2.5
161.04446	5.7
162.04776	0.7
165.09134	2.8
168.00500	1.1
169.01326	8.3
170.01512	0.6
171.13728	0.9
179.05559	0.7
183.13651	0.6
187.13348	2.1
196.67740	0.5
201.14894	1.4
207.06616	0.5
209.08144	5.3
211.02382	0.7
253.01166	0.5
286.08517	0.5
313.05612	4.2
315.25446	0.6
359.28043	2.8
360.28323	1.1
361.29581	28.9
362.29828	2.6
461.12567	1.0
475.70340	0.5
479.14554	1.5
486.82669	0.5
522.32776	0.7
523.14313	8.3
523.21838	18.0
523.34741	100.0
524.14697	1.0
524.22156	3.0
524.35138	17.2
536.62225	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70354	0.4
59.01248	1.8
70.35207	1.1
70.35548	0.5
78.95805	0.4
80.30133	0.4
80.39149	0.4
82.75599	0.4
93.03323	0.6
106.04130	0.5
107.04910	0.7
111.00761	0.5
117.03349	1.6
119.98383	0.4
120.22195	0.4
121.02816	1.2
124.30509	0.4
132.02066	1.1
133.02853	24.3
134.03659	10.2
135.04422	48.1
136.04774	2.3
137.01407	0.6
137.02354	7.2
139.03877	2.6
144.61932	0.5
150.03149	0.8
152.16588	0.4
161.02353	96.3
162.02681	4.3
178.02654	2.8
179.03421	23.3
180.03716	0.8
235.06061	0.8
269.21063	0.6
287.22287	8.2
288.22501	0.5
363.25458	1.3
387.25391	0.6
431.24371	36.7
432.24786	5.4
449.20132	0.4
449.25424	18.4
450.25946	2.5
523.29126	100.0
524.29462	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	523.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	12.3
63.03910	1.9
71.01237	3.5
73.02825	2.7
78.95769	6.6
89.02273	2.0
101.02354	3.3
118.96381	2.0
125.02310	3.9
152.99460	3.6
161.64893	2.1
189.37741	1.9
192.83983	2.0
217.00110	2.4
238.53775	2.1
239.03371	8.9
255.10133	2.1
263.00488	2.2
267.02942	8.8
268.03387	2.5
319.22763	100.0
320.23254	14.1
320.36060	2.1
463.25745	4.6
524.29846	3.3
547.40668	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63692	0.5
55.01748	1.6
57.03325	5.8
59.01250	30.8
61.98686	0.8
68.99681	0.7
69.03332	0.6
71.01254	27.2
71.58150	0.6
72.99174	6.2
73.02817	5.0
75.00745	37.4
83.01266	3.3
84.02044	1.0
85.02824	37.3
86.03140	0.9
87.00749	9.7
89.02314	2.1
95.01268	3.8
95.65570	0.5
97.02836	1.1
99.00758	12.8
101.02319	7.7
103.00277	1.2
104.10015	0.5
109.02825	0.9
111.00813	1.1
112.01583	0.9
113.02329	36.8
114.02639	0.8
115.00255	2.7
115.64066	0.5
116.01094	0.6
117.01102	0.5
117.01782	2.5
121.02824	0.7
125.02368	1.1
129.01828	1.3
130.15057	0.6
139.00226	0.6
143.03410	0.7
157.01329	2.1
158.63399	0.6
161.04443	1.1
164.04744	0.5
173.04506	0.8
175.02411	4.7
207.06589	0.7
286.46130	0.5
293.04575	0.5
305.19745	4.7
405.21475	0.7
411.44547	0.5
419.22699	3.8
437.23853	0.7
443.23026	0.5
461.22943	0.6
463.21829	0.8
470.29932	0.5
505.22705	0.7
523.23926	100.0
524.24286	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	523.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64029	0.7
59.01254	3.7
61.98697	1.3
69.31020	5.7
69.31448	2.8
69.94550	0.9
71.01240	1.3
78.95760	1.7
98.19836	1.4
99.05492	0.8
117.03352	1.1
121.02855	1.4
123.04417	1.2
125.02357	1.7
132.02097	1.2
133.02855	25.8
134.03673	9.4
135.04414	51.7
136.04759	2.4
137.02327	6.8
139.03929	2.3
150.03104	1.3
152.99486	1.8
161.02351	93.5
162.02658	4.4
167.03372	1.3
178.02652	1.8
179.03419	23.8
226.43277	0.8
235.20650	0.8
275.72421	0.7
287.22272	8.2
288.22702	1.1
318.54974	0.8
389.56863	0.9
431.24353	38.9
432.24765	6.7
449.25378	21.0
450.25723	2.6
523.29114	100.0
524.29462	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55076	0.4
56.37756	0.3
57.03310	1.5
59.01254	1.8
60.71068	0.3
71.01252	2.6
71.56943	0.3
71.57716	0.4
73.02837	0.7
75.00742	0.4
83.01253	1.0
85.02814	1.6
93.03324	1.5
95.01201	0.4
97.02806	0.4
101.02338	0.9
102.81664	0.3
107.01258	1.4
108.02103	0.6
109.02837	4.2
111.00767	0.8
113.02303	1.6
119.04938	0.5
121.02839	14.3
122.02824	0.6
122.03638	11.0
123.00751	1.6
123.04427	2.1
124.01563	1.8
125.02332	21.6
126.02628	0.4
129.03345	1.1
134.03598	0.7
135.04413	1.6
136.01622	0.4
136.05183	1.1
137.02361	2.6
139.00288	0.4
141.01836	0.4
146.03639	0.8
147.04420	6.0
148.05147	0.7
149.02328	1.3
149.06001	0.9
150.03133	0.7
151.00246	2.3
153.01805	0.6
154.02655	1.8
159.04489	0.4
161.04633	0.5
161.05969	2.4
161.07127	0.5
163.03885	0.8
164.04677	0.5
165.05486	24.8
166.05814	1.2
167.03424	1.6
168.00546	0.5
168.04103	0.4
169.01340	14.2
170.01653	0.7
173.05949	0.6
175.07597	0.4
177.05424	0.5
178.06345	0.7
179.07048	8.7
180.07425	0.4
190.06366	0.3
191.03407	8.1
191.07014	0.5
192.03766	0.5
193.01360	0.4
193.08566	0.4
208.07286	0.4
208.61929	0.4
209.04460	0.4
209.08049	0.6
210.12851	0.3
211.02486	0.9
214.13643	0.3
223.09663	1.2
251.16127	0.3
285.11111	0.4
298.12079	0.6
313.05676	13.3
313.14462	0.7
314.06030	1.4
315.12399	2.6
316.12952	0.9
331.15543	0.4
343.15637	0.5
346.14212	9.2
347.14508	0.8
361.16556	100.0
362.16913	11.1
362.21454	0.8
439.08713	2.4
440.08804	0.5
462.84714	0.3
479.17725	1.0
481.09845	0.5
505.09888	14.3
506.10294	1.7
523.14655	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2189
Annotation	Mascaroside
Peak:m/z	Relative Intensity
55.01770	1.8
57.03347	2.0
58.00477	2.0
59.01251	29.0
69.03332	0.6
70.15246	3.0
71.01253	21.7
72.99207	2.4
73.02822	5.7
73.84494	0.7
75.00777	2.2
83.01259	3.5
85.02824	10.1
85.03286	0.8
87.00753	3.1
89.02315	7.7
93.03339	1.5
95.01310	2.0
96.95915	2.0
97.02867	1.2
99.00780	2.3
101.02319	14.8
108.02037	0.7
109.02839	6.3
111.00741	0.9
112.24397	0.6
113.02333	8.4
119.03381	3.8
119.04894	0.9
121.02846	14.4
121.03657	1.0
122.03646	15.1
123.04391	2.6
124.01595	2.3
125.02361	1.2
129.03351	1.2
135.04424	3.3
137.02348	3.1
145.02798	0.8
146.03668	0.8
147.04410	7.0
148.05234	1.2
149.06036	1.9
154.02667	1.8
155.56543	0.7
160.05241	0.8
161.04672	1.0
161.06033	2.7
162.06781	1.5
163.03975	1.3
165.05502	28.9
166.05869	0.7
175.07625	1.8
176.04848	0.7
179.07088	8.0
191.07080	1.5
209.08180	0.8
223.09703	0.9
298.11972	1.1
313.11032	0.7
313.14435	2.2
315.12411	2.3
316.13104	1.1
328.13214	1.4
329.13992	1.0
343.15399	5.2
346.14233	8.3
347.14859	1.8
361.16559	100.0
362.16879	10.1
523.21838	92.2
524.22235	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	523.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.6
59.01253	100.0
60.01579	1.5
69.94461	5.2
71.01256	7.1
72.99179	1.2
73.02798	2.0
75.00730	3.2
75.90036	1.1
83.01234	1.6
83.54198	1.4
83.68378	1.1
85.02834	7.5
87.00744	2.9
88.98698	1.1
89.02317	3.1
93.03313	1.1
95.01301	1.5
99.00787	1.4
101.02312	3.6
111.00732	1.2
112.20984	1.2
113.02309	4.8
114.02700	1.1
118.20959	1.1
119.03368	1.9
119.04916	1.8
121.02853	2.0
122.03644	1.7
123.00780	3.4
125.02318	4.4
138.03125	2.7
148.01538	2.2
153.05550	1.8
163.03903	4.0
165.01875	2.1
165.05534	1.6
169.01289	1.8
175.03915	1.9
192.00540	4.9
201.31686	1.0
203.06966	1.0
207.02892	4.7
218.21872	1.4
317.10748	1.2
324.34802	1.1
359.15018	3.2
361.09552	2.6
391.27127	2.6
452.59473	1.1
463.19556	1.2
508.17245	1.1
523.13995	4.3
523.23145	4.8
523.34393	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	523.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63692	0.5
55.01748	1.6
57.03325	5.8
59.01250	30.8
61.98686	0.8
68.99681	0.7
69.03332	0.6
71.01254	27.2
71.58150	0.6
72.99174	6.2
73.02817	5.0
75.00745	37.4
83.01266	3.3
84.02044	1.0
85.02824	37.3
86.03140	0.9
87.00749	9.7
89.02314	2.1
95.01268	3.8
95.65570	0.5
97.02836	1.1
99.00758	12.8
101.02319	7.7
103.00277	1.2
104.10015	0.5
109.02825	0.9
111.00813	1.1
112.01583	0.9
113.02329	36.8
114.02639	0.8
115.00255	2.7
115.64066	0.5
116.01094	0.6
117.01102	0.5
117.01782	2.5
121.02824	0.7
125.02368	1.1
129.01828	1.3
130.15057	0.6
139.00226	0.6
143.03410	0.7
157.01329	2.1
158.63399	0.6
161.04443	1.1
164.04744	0.5
173.04506	0.8
175.02411	4.7
207.06589	0.7
286.46130	0.5
293.04575	0.5
305.19745	4.7
405.21475	0.7
411.44547	0.5
419.22699	3.8
437.23853	0.7
443.23026	0.5
461.22943	0.6
463.21829	0.8
470.29932	0.5
505.22705	0.7
523.23926	100.0
524.24286	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	523.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49532	0.6
55.01756	1.4
55.90633	0.7
57.03325	8.1
58.00468	1.0
59.01252	22.0
60.01581	1.4
65.00188	0.9
67.01765	0.8
69.03321	1.6
69.55567	5.3
71.01257	26.1
72.01594	1.1
72.99187	1.7
73.02818	4.2
74.43073	0.7
75.00753	2.3
79.01779	0.7
81.03331	9.7
83.01258	5.4
85.02827	11.3
87.00757	2.6
89.02325	9.9
95.01290	3.6
95.04894	0.8
97.02830	2.3
98.19794	1.3
99.00751	2.0
99.04371	1.0
99.08030	0.9
101.02323	15.4
102.02669	1.2
107.01284	8.8
108.02094	1.0
109.02840	0.7
109.05145	0.6
111.00771	2.6
113.02338	8.2
114.02678	1.0
119.03393	4.9
122.03617	3.0
123.00763	8.5
123.04444	1.8
123.08071	3.8
124.01591	1.8
125.02338	100.0
125.05968	9.6
126.02682	2.5
127.00311	0.7
134.03644	0.8
137.02322	1.3
139.00285	2.3
139.03876	1.0
140.01054	2.4
141.01851	1.3
143.03389	0.9
145.02812	0.8
149.02342	2.3
151.00273	9.0
151.03909	1.7
153.01895	0.8
161.02353	0.7
161.04451	2.9
163.03951	1.5
165.01874	0.8
165.09126	43.0
166.09421	2.0
167.03439	2.8
168.00562	4.3
168.03954	0.7
169.01340	84.5
170.01723	3.4
175.03891	1.1
179.03441	0.9
179.05528	1.7
187.13312	0.9
191.01854	0.9
191.06999	1.4
193.01384	1.0
209.08144	83.6
210.08498	5.1
211.02419	8.4
223.02103	0.8
233.08150	2.0
241.03465	3.1
253.03661	0.8
271.04538	6.6
313.05655	57.5
314.05988	3.6
359.28186	1.5
360.28281	2.4
361.29541	12.4
439.08801	45.4
440.09052	4.4
466.54080	0.7
522.33691	7.9
523.14569	95.5
523.21497	5.4
523.34644	17.3
524.14893	12.3
524.22467	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36749	0.9
59.01235	1.3
69.99554	1.7
69.99979	3.9
78.95778	2.9
79.31418	1.1
91.01759	2.0
92.99859	1.0
94.00074	0.9
112.69775	1.1
121.02861	1.3
127.09442	1.0
132.02069	1.8
133.02858	8.3
134.03667	1.0
135.00739	3.4
139.05400	1.5
152.99579	1.2
153.01802	2.3
167.04950	2.4
183.04451	2.7
195.04456	9.1
211.03986	13.0
223.03976	4.1
229.50075	1.1
239.03474	100.0
240.03954	8.5
251.03510	1.5
255.10277	3.2
267.02985	88.7
268.03693	28.5
269.04581	21.0
270.04703	2.0
350.22852	1.1
523.13940	29.5
524.14404	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	523.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68280	0.3
57.03316	1.2
59.01251	5.4
65.00198	1.3
69.28461	2.4
69.28883	1.1
71.01249	2.4
73.02838	0.6
78.95767	0.3
81.03331	6.8
83.01272	1.8
85.02830	0.8
89.02324	0.6
95.01286	0.5
95.04902	0.3
97.02850	0.8
99.08025	1.4
101.02311	1.5
101.05959	0.8
107.01270	4.2
107.04944	0.4
111.00769	1.0
111.02026	0.3
113.02330	1.0
122.03643	0.4
123.00768	3.1
123.08035	2.6
124.01546	0.7
125.02341	40.8
125.05969	4.7
126.02673	1.1
136.05202	0.7
136.98727	0.4
137.02342	0.7
137.05971	0.5
139.00241	1.0
139.03893	0.7
140.01007	1.1
141.01624	2.5
141.09081	1.2
147.08063	0.5
149.02356	1.4
150.06731	0.4
151.00310	3.5
152.01057	0.6
153.01788	0.4
165.09128	34.7
166.09447	1.7
167.03442	0.5
167.07059	0.5
168.00554	2.5
169.01341	34.3
170.01709	1.4
191.07065	1.4
209.08134	69.3
210.08504	3.1
211.02388	6.3
215.07097	0.4
223.09680	0.7
233.08157	7.1
241.03358	0.8
251.09241	1.1
271.04639	4.2
275.09146	0.6
313.05646	18.1
314.05981	0.9
344.61322	0.3
439.08685	1.1
508.07962	0.4
523.14551	100.0
524.14868	12.9
546.53369	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	0.5
64.70219	0.4
78.95778	2.0
83.19450	0.4
91.01769	2.8
104.02584	1.0
106.04142	0.6
108.02045	1.5
121.02847	0.9
123.04413	0.7
131.01340	0.7
132.02055	7.4
133.02859	16.8
135.00789	5.0
141.03456	0.4
152.99536	2.3
153.01840	2.7
153.02893	0.5
155.04965	0.7
159.00781	1.1
163.65013	0.4
167.04985	1.4
169.16164	0.4
177.01776	0.5
180.70079	0.4
183.04474	2.7
184.05206	1.4
195.04448	4.6
196.05107	0.6
197.05986	0.6
201.05397	0.7
210.03130	1.0
211.03949	12.4
212.04640	2.4
213.05576	0.7
223.03964	2.5
224.04774	2.3
225.05516	1.2
230.08302	0.9
235.07680	0.7
239.03458	91.3
240.04102	13.7
240.07744	0.5
241.04869	1.1
251.03395	2.5
254.33546	0.5
255.10201	5.1
256.10486	0.6
263.07144	1.5
267.02979	100.0
268.03702	45.8
269.04535	40.3
270.04926	3.0
295.22809	1.2
359.14093	0.5
399.08759	1.8
418.20386	0.6
419.38608	0.4
449.22598	0.7
523.13965	22.3
523.26471	1.2
524.14331	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	523.1398
Annotation	Pityriarubin B
Peak:m/z	Relative Intensity
51.28493	0.8
51.58412	0.8
56.92595	0.8
59.01243	1.9
69.81845	4.9
71.01628	0.8
78.95782	1.6
91.01759	5.6
98.20524	1.0
104.02556	1.1
111.74876	0.8
123.04390	1.6
125.02309	1.0
132.02084	4.0
133.02852	29.6
134.03209	1.0
135.00781	6.3
153.01852	6.9
161.02208	0.9
167.03415	3.4
167.04848	1.2
183.04391	1.6
201.05545	1.1
211.03975	4.1
217.00261	2.0
224.04720	0.9
225.05545	1.9
226.50514	1.0
227.03465	1.9
235.15912	1.0
239.03471	100.0
240.04086	11.7
251.03476	1.0
255.10318	1.5
267.02982	98.7
268.03702	37.0
268.06653	1.4
269.04550	86.0
270.04916	6.6
359.01245	1.0
414.10461	0.8
432.17484	1.0
523.13660	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1396
Annotation	Pityriarubin B
Peak:m/z	Relative Intensity
56.69242	1.0
59.01249	7.0
68.47553	1.0
70.52392	0.9
71.01253	2.5
71.57603	1.1
72.90540	1.0
77.72680	1.0
78.95767	2.4
89.02313	2.6
90.98273	1.2
91.01764	5.6
93.03345	1.6
99.00736	1.6
101.02312	1.5
108.02071	4.1
109.02825	3.0
119.04901	2.6
121.02861	2.3
123.04390	3.7
133.02803	2.1
135.00748	5.5
153.01848	5.8
158.03674	1.5
161.02322	3.4
193.06450	1.6
195.04514	1.1
209.05989	2.6
211.03931	2.2
221.05997	3.1
222.06795	1.1
224.04836	1.3
235.03870	1.8
237.05533	7.0
239.03442	2.6
248.04681	1.2
249.05582	4.6
250.06342	10.4
251.07135	5.3
252.04343	1.5
253.04836	1.3
263.07095	2.5
264.04395	1.6
265.05054	16.7
266.05719	2.4
267.02844	1.7
268.03622	2.1
277.05121	1.3
279.06448	1.5
280.04214	1.7
280.07391	6.3
281.04437	2.6
282.05283	4.6
293.04477	7.3
295.06104	2.4
297.07721	1.5
301.08731	2.0
307.05902	1.3
329.08209	6.1
341.07907	1.7
345.07605	2.1
355.06152	1.6
357.07486	1.8
369.07611	1.2
371.09082	1.4
373.07010	2.5
385.06888	4.0
386.07977	38.7
387.08594	23.4
388.09250	2.1
399.07996	2.3
399.12836	7.4
400.09241	1.7
401.06586	20.1
402.07544	5.7
415.08188	1.3
416.09018	55.5
416.14685	2.6
417.09570	23.3
418.10300	2.2
522.27594	2.3
523.13940	100.0
524.14325	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	523.1252
Annotation	Mayoside B
Peak:m/z	Relative Intensity
55.68151	0.9
57.02415	0.9
57.03322	2.4
59.01254	36.7
61.98697	2.0
65.24837	0.9
71.01254	11.3
71.60332	0.8
71.60781	0.9
73.02827	2.4
78.95789	1.6
83.01254	1.8
85.02827	5.2
89.02319	3.6
95.01276	1.5
99.00790	1.7
101.02309	6.0
107.01225	1.3
113.02363	3.3
119.04924	1.6
121.02771	0.9
125.02336	4.4
130.02187	0.8
133.02835	1.0
137.02344	1.0
145.02892	2.0
149.02338	2.2
151.00298	3.9
159.04526	1.0
161.02377	13.8
161.04443	2.0
163.03981	1.0
165.09151	1.1
167.03464	1.2
169.01344	1.0
178.02567	1.1
183.04482	1.3
185.02432	4.4
187.00258	1.7
198.03065	1.6
199.03961	2.9
201.01842	1.1
203.03476	5.3
209.08141	2.5
214.02721	1.8
215.03490	3.2
226.02744	2.5
227.03482	14.4
228.03889	1.4
229.01274	1.4
242.02199	1.8
243.02998	5.9
255.02937	1.0
270.01660	6.6
271.02444	17.6
272.03223	17.4
285.04068	10.8
298.99304	0.8
299.01971	56.8
300.02747	100.0
301.03339	13.5
312.99747	1.7
313.03531	61.0
314.04312	59.3
315.05096	65.1
316.05444	4.8
331.21133	1.1
361.29660	2.6
398.54083	1.0
463.25507	1.3
481.26535	2.2
482.41675	0.9
523.12537	26.9
523.28070	2.2
523.34961	11.7
524.12689	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	521.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	4.0
57.03324	6.4
58.00452	2.4
59.01253	79.1
69.03323	1.0
69.67656	6.0
71.01254	64.2
72.50802	0.8
72.99184	5.0
73.02818	12.6
73.04073	0.8
75.00739	1.6
83.01260	5.3
85.02827	23.9
85.99969	1.1
87.00755	6.4
89.02320	39.0
94.50497	0.8
95.01273	4.9
97.02822	1.6
99.00751	3.8
101.02325	37.8
111.00799	1.6
113.02332	22.7
119.03391	14.0
123.00782	1.5
125.02323	2.5
127.11169	1.0
129.01834	0.8
131.03423	2.8
136.98590	0.8
137.09595	2.6
143.03423	2.5
149.00835	7.9
149.04462	19.9
150.04849	0.8
153.12721	1.3
155.10658	2.5
157.12280	0.9
159.02855	2.3
161.04510	6.9
169.01341	2.4
179.05589	3.0
187.13286	1.3
201.14940	4.1
209.08231	1.0
211.02370	1.3
230.15190	2.0
241.23973	0.8
268.03781	2.2
269.04568	5.9
271.04681	1.1
283.06064	1.0
283.13467	1.5
284.06836	3.0
299.09219	9.3
300.09644	1.3
301.14542	1.1
325.27029	0.9
329.03058	1.0
345.17200	1.7
359.07657	0.9
359.28021	34.7
360.28336	2.9
385.62357	0.8
461.14529	1.1
521.20685	5.9
521.33313	100.0
522.33691	14.6
546.22284	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68900	0.5
57.03324	4.5
59.01252	2.8
65.00199	0.7
69.03329	0.6
69.78655	1.0
69.79073	2.0
71.01250	5.2
73.02832	1.3
75.00761	1.4
81.03333	1.1
83.01253	2.7
85.02815	2.8
87.00751	1.1
89.02343	1.0
93.03315	2.3
95.01247	1.1
97.02819	0.9
98.20567	0.5
99.00754	0.9
101.02296	2.5
107.01273	5.4
108.02071	1.1
109.02834	6.4
111.00768	1.0
113.02338	2.4
121.02837	18.5
122.03631	13.1
123.00764	6.2
123.04430	4.3
124.01591	2.5
125.02334	71.8
126.02675	2.4
129.03374	1.1
134.03656	1.0
135.04399	1.9
136.05188	1.5
136.98758	0.4
137.02367	4.9
137.03351	0.7
139.00247	1.9
139.03900	1.1
140.01021	1.1
141.01810	1.0
146.03618	0.6
147.04416	8.8
148.05226	1.1
149.02361	3.3
149.06007	2.2
150.03076	0.8
151.00275	6.5
152.00830	0.5
153.01865	1.0
154.02602	2.9
161.04535	1.0
161.05969	2.9
163.03926	0.8
164.04694	0.5
165.01894	0.8
165.05479	31.8
166.05809	0.7
167.03419	5.3
168.00609	2.5
169.01334	53.1
170.01666	1.6
175.07547	0.6
179.07071	10.2
191.03426	25.6
191.07097	1.2
192.03737	1.7
193.01410	1.3
194.74387	0.4
207.09993	0.5
208.07443	0.6
209.04427	2.0
209.08047	1.2
211.02400	4.1
223.09770	1.2
233.04512	0.9
241.03438	1.1
271.04630	1.5
298.12048	0.8
313.05634	43.8
313.14139	1.2
314.05914	3.1
315.12296	2.4
316.13086	1.1
327.11966	0.5
346.09882	0.7
346.14148	11.7
347.14566	1.0
350.51749	0.5
361.16550	100.0
362.16888	7.9
439.08765	9.3
440.09033	1.1
457.36563	0.5
479.17395	1.1
481.09799	1.4
505.09842	44.2
506.10153	6.0
523.14410	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	15.3
59.17434	1.4
59.93493	1.4
69.16735	1.6
71.58106	2.7
71.58494	1.4
78.95775	2.1
96.95891	2.7
123.60863	1.7
152.99556	2.7
311.01984	2.2
317.21210	100.0
318.21536	8.3
320.34467	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	4.0
60.98249	1.8
61.77043	1.7
62.46990	2.1
78.95768	3.0
83.09273	1.8
85.02862	1.8
91.03887	2.0
97.54807	1.9
105.03328	9.9
118.12846	2.1
132.02061	8.0
133.02853	48.9
134.03691	9.6
134.38460	1.9
135.04343	2.8
137.02286	4.8
148.05212	4.9
160.01576	32.2
161.02371	26.1
161.05971	3.6
171.10219	3.9
175.03931	77.1
176.04260	4.8
176.51237	2.2
177.01926	4.2
178.02582	2.2
179.03462	3.2
193.05017	6.9
194.02107	2.1
199.36491	1.8
233.08076	2.3
234.67555	2.1
247.09683	3.1
261.11407	2.5
271.22711	10.4
317.17679	2.9
331.19077	3.5
345.20685	6.2
347.25995	2.2
359.22330	3.2
361.27371	3.4
415.24948	10.1
429.26514	26.4
430.26575	3.0
433.25958	2.5
433.37842	1.9
447.27509	51.4
448.27817	7.8
472.62241	2.0
506.29242	3.2
521.31195	100.0
522.31592	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	521.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93301	0.7
55.01750	3.2
57.03328	7.5
58.00457	3.1
59.01250	50.3
60.01577	1.0
66.31967	0.7
71.01253	41.8
71.46121	1.3
72.01575	1.0
72.99185	2.6
73.02820	6.4
75.00757	0.9
78.15643	0.8
80.41168	0.7
83.01254	5.0
85.02821	15.6
87.00754	2.5
89.02319	23.3
95.01276	4.2
99.00758	3.4
101.02324	25.6
101.03000	1.2
102.02668	0.8
103.00163	0.8
107.04894	3.4
111.00745	1.6
113.02328	16.7
118.16354	0.7
119.03380	10.1
121.02847	1.8
121.10091	1.2
122.03603	2.6
124.19114	0.7
125.02336	30.2
129.01852	1.0
136.94725	0.9
143.03369	2.9
149.00798	1.7
149.04530	1.2
157.12251	1.8
159.02876	2.1
161.04489	7.3
169.01364	3.1
171.13815	1.0
179.05542	2.3
187.13318	5.6
197.03058	0.7
201.14865	3.0
207.06471	4.1
208.78342	0.7
214.44621	0.7
229.08624	4.7
236.93076	0.7
242.46590	0.8
273.07635	2.9
299.25858	1.2
313.05710	3.2
333.18869	1.1
345.17014	1.7
349.18665	1.5
359.28036	24.4
360.28360	2.7
363.20166	1.4
391.23535	0.8
397.04443	0.8
477.13956	10.1
478.14252	1.5
503.32184	1.1
521.13135	6.1
521.33240	100.0
522.13330	1.4
522.33636	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	521.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83242	0.7
52.19089	0.6
57.03307	1.1
59.01243	2.3
71.01240	0.9
71.58910	0.6
77.92255	0.6
78.73633	0.5
78.95788	4.2
85.02802	0.8
88.71472	0.6
89.02301	0.7
93.03355	0.9
97.81565	0.8
106.04132	0.9
111.00798	0.7
113.09642	3.3
117.03349	1.5
119.04935	1.7
121.02845	1.6
123.02109	0.6
128.53334	0.7
132.02071	1.0
133.02850	25.1
134.03650	10.5
135.04424	47.8
136.04732	1.2
137.02341	8.1
139.03906	2.3
143.53592	0.7
145.02861	3.3
152.99512	6.3
161.02359	100.0
162.02695	3.4
163.03946	1.9
166.98965	0.6
178.02661	2.8
179.03424	23.9
195.13840	1.3
227.03160	1.4
235.06134	1.0
269.31641	0.6
275.20407	0.7
278.70932	0.6
285.20746	8.1
286.21017	1.0
293.21201	20.0
294.21564	1.5
361.23917	1.3
374.03592	0.8
429.22824	39.8
430.23151	4.3
447.23877	18.7
448.24393	2.5
482.83749	0.6
521.27557	99.9
522.27887	14.8
543.92755	0.8
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
52.05484	0.7
53.52373	0.7
59.01265	5.0
69.55412	2.4
69.55838	3.8
71.01259	2.5
78.95778	45.1
85.28947	0.8
96.96857	4.1
98.20493	1.6
110.98354	0.9
125.02322	0.9
142.68996	0.8
150.97879	1.5
151.99886	0.8
152.99493	69.5
153.99854	1.0
161.02325	1.2
171.00555	5.5
177.12772	0.8
179.14369	1.2
180.24852	0.7
181.12305	1.0
181.21828	0.8
183.10164	1.1
195.13853	15.3
196.14316	1.4
205.12332	1.4
211.13335	2.2
223.13394	9.4
223.53441	0.8
224.13696	1.2
227.03207	8.0
228.13634	0.9
245.04285	2.3
256.13202	2.2
275.20169	5.6
293.21225	83.4
294.21481	5.9
429.20712	2.1
452.18481	1.6
521.25214	100.0
522.25513	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	521.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
61.98690	11.4
63.95119	6.8
69.03309	8.4
71.01254	76.4
71.49576	18.3
72.01922	7.7
73.02814	15.6
75.34399	6.8
78.95773	26.1
83.01250	7.7
85.02825	16.5
85.29523	7.7
89.02316	81.1
96.95896	71.3
96.96839	61.2
99.00775	15.3
101.02324	32.9
113.02320	12.8
116.80944	6.7
125.02336	43.1
126.61748	8.2
131.03423	12.1
132.90775	6.6
149.04437	32.3
167.10710	16.9
191.05634	9.7
224.13605	10.8
232.26137	9.2
233.06725	9.5
293.08841	48.8
317.21066	8.3
450.05798	8.5
473.50073	7.4
521.19946	11.0
521.34003	8.7
522.23596	9.9
544.56671	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2522
Annotation	Cognatine
Peak:m/z	Relative Intensity
59.01255	4.6
61.98702	1.0
69.54545	1.4
69.54953	5.5
71.01250	1.5
72.99164	0.9
78.95779	51.4
85.02845	0.9
96.96837	4.1
101.54168	0.9
110.98432	1.0
111.75534	0.8
125.02330	1.1
135.04437	1.0
150.97887	1.6
152.99498	70.9
153.99796	1.8
161.02345	3.3
169.01286	1.4
171.00571	5.3
179.14337	1.3
195.13837	16.9
196.14468	1.2
205.12238	1.5
211.13245	1.6
223.13342	10.2
224.13680	0.9
227.03268	6.2
228.13617	1.5
245.04292	1.6
256.13095	2.2
265.21616	0.9
275.20193	5.5
276.20602	1.1
293.21234	86.0
294.21552	9.3
299.63528	0.9
338.70328	1.0
423.17502	0.9
429.20547	2.6
452.18640	1.1
521.25189	100.0
522.13678	1.3
522.25415	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	521.2028
Annotation	Woorenoside XI
Peak:m/z	Relative Intensity
53.29067	0.4
53.97093	0.4
57.03307	0.5
59.01253	1.8
60.28791	0.4
60.29778	0.4
69.52013	3.8
71.01257	2.8
73.02814	0.6
75.00750	2.3
78.67654	0.5
83.01281	0.6
85.02819	2.3
87.00739	0.5
89.02326	0.5
91.83831	0.4
99.00772	0.6
101.02366	0.6
104.74554	0.4
108.02057	1.2
109.02837	16.1
110.03125	0.5
113.02318	1.2
121.02849	0.5
123.00746	0.8
123.04420	1.3
124.01521	0.7
125.02327	3.4
132.02989	0.6
134.03641	0.4
135.04456	0.8
137.02328	0.5
139.00298	0.4
147.04401	0.6
149.05962	0.6
153.01860	0.4
159.04433	7.1
161.02339	0.6
161.04462	0.6
161.05980	0.5
163.00233	0.5
164.34383	0.4
165.01735	0.5
168.86128	0.4
169.01334	1.8
171.04442	0.4
173.06007	5.2
175.02428	0.8
175.03831	0.5
177.01743	0.6
187.07635	0.5
189.05496	5.7
191.07043	3.0
195.06598	0.4
197.05862	0.5
203.07098	3.8
213.05492	0.8
225.05510	1.4
240.04311	2.4
241.05037	11.7
243.03021	0.6
251.06996	0.6
255.06570	8.3
256.07095	0.7
262.56363	0.5
265.08664	0.5
267.06680	1.6
269.08154	2.6
271.09543	0.8
281.08087	0.6
283.09830	0.8
285.03970	0.6
289.07254	0.5
295.09525	1.0
298.08426	1.1
299.09222	8.7
300.09778	0.8
313.10806	11.8
314.11215	0.9
317.06635	1.1
326.11761	0.6
327.12451	0.8
327.46738	0.5
329.10278	6.0
330.10678	0.5
343.11951	3.3
344.12622	33.7
345.12970	3.3
359.14996	100.0
360.15369	9.3
459.14709	0.5
477.19073	0.5
510.82034	0.5
521.19904	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	521.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.5
59.01249	100.0
60.01575	0.9
60.99179	4.3
61.98704	2.1
62.10334	0.5
71.01249	2.2
71.57617	0.8
73.02826	0.5
75.00734	0.6
81.03328	0.6
83.01266	2.2
85.02821	0.7
88.98677	25.2
89.02343	1.0
92.32349	0.4
101.02364	1.4
107.01291	1.0
109.02813	0.7
111.00739	0.5
113.02286	0.6
121.02872	1.1
123.00763	1.4
125.02315	4.9
137.02380	0.7
139.00304	1.2
140.01045	0.5
149.02382	0.4
150.03166	0.6
151.00314	1.7
151.03917	1.5
153.01935	0.5
161.02313	0.7
163.03954	0.5
165.01932	0.6
165.05501	0.4
167.03427	1.0
168.00580	0.6
169.01340	3.9
177.01913	1.4
191.03401	0.7
193.01366	1.8
194.01730	0.8
196.75508	0.5
205.08783	0.7
207.06540	0.8
211.02463	1.6
271.04581	2.5
285.04047	0.6
313.05731	0.6
317.06781	0.7
317.10162	0.8
357.13498	0.9
358.14026	1.2
359.14136	2.0
359.27621	0.6
382.10126	0.7
400.10779	0.5
448.18140	0.5
521.13165	0.8
521.20160	8.4
521.33295	1.8
522.21021	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06407	0.3
55.01747	0.2
57.03315	0.6
57.03567	0.2
58.00471	0.4
59.00960	0.4
59.01249	6.3
67.01765	0.4
69.03329	0.3
69.35066	0.5
69.35468	2.0
71.01256	4.4
72.99171	0.8
73.02817	1.1
75.00736	0.3
79.01771	0.6
81.03290	0.2
83.01251	1.9
85.02821	2.7
87.00751	0.7
89.02318	2.0
91.70836	0.2
95.01256	1.0
97.02824	0.5
98.20090	1.1
98.20658	0.3
98.30251	0.2
101.02326	2.6
107.01270	3.0
109.99915	0.2
111.00752	2.0
113.02332	1.9
119.03345	0.7
121.06490	0.3
123.00776	4.8
124.01521	1.6
125.02342	18.3
126.02654	0.5
127.00258	0.8
136.98682	1.1
137.02338	0.5
137.09619	1.5
139.00262	2.8
139.03943	0.4
140.01073	2.8
141.01788	0.7
149.00853	0.6
149.02365	0.3
150.03169	0.3
151.00288	1.7
154.99794	0.3
161.04439	0.8
165.01807	1.5
167.03386	1.0
168.00560	9.4
169.01341	26.9
170.01709	0.9
181.01215	0.3
183.02939	0.6
191.01846	0.3
211.02428	44.8
212.02762	1.7
241.03439	1.8
259.06409	0.3
271.04584	100.0
272.04907	5.4
287.05643	0.8
299.87076	0.3
317.06799	0.5
317.10284	4.9
319.17505	0.5
331.06708	17.0
332.07022	1.1
345.17206	0.3
348.06027	0.3
357.13412	0.7
358.13928	0.6
359.14011	1.3
359.28043	1.0
521.20337	10.9
521.32886	4.3
522.20917	1.3
522.33643	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.204
Annotation	(7S,8R)-Dehydrodiconiferyl alcohol 9-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01760	5.2
56.67554	1.5
56.73980	1.6
57.03319	6.8
58.00458	3.0
59.01254	63.3
65.00179	3.5
69.03351	2.0
69.63651	12.3
71.01254	30.8
72.99177	6.7
73.02818	6.7
75.00744	9.2
78.95744	1.7
80.45908	1.5
83.01264	9.3
83.33305	1.6
85.02828	22.8
87.00747	13.9
89.02303	8.9
95.01253	4.7
99.00755	5.0
101.02320	15.1
107.01261	5.5
108.02052	2.8
109.02843	20.5
111.00729	2.7
113.02328	15.6
116.61465	1.7
119.03375	2.7
121.02866	21.9
123.00739	2.0
125.02322	16.0
129.01846	3.1
132.02937	2.7
133.02835	3.5
135.00795	2.3
135.04411	1.9
137.02354	9.2
139.00259	2.9
145.02809	2.6
147.02896	4.0
147.04402	2.9
149.02356	2.2
150.03128	1.8
151.00266	12.1
152.01006	3.3
153.01833	19.4
159.04422	3.5
161.02315	2.9
163.00266	7.3
163.03859	3.8
164.01018	2.8
165.01826	4.2
169.01288	4.3
175.00290	2.0
177.01842	5.2
178.99840	3.2
181.01463	3.2
193.01387	2.3
203.03294	3.0
206.99344	3.4
225.14920	21.5
226.15321	2.3
227.03482	2.5
227.07071	6.3
243.02953	2.5
251.07024	2.7
255.06552	2.2
265.08719	2.2
267.06787	6.0
268.07172	4.3
269.04651	3.6
269.08041	8.9
269.13925	6.9
270.08438	2.5
271.02448	3.1
273.03839	3.6
275.07043	1.8
280.07431	2.8
281.08200	12.1
282.08862	4.1
283.09784	10.6
284.03323	1.9
284.06775	2.3
293.08286	5.3
295.09662	5.5
296.10501	4.0
299.01886	4.1
299.09201	7.8
302.07806	2.1
309.11273	2.0
311.09219	8.4
312.09787	2.0
313.10693	2.0
314.11591	10.2
315.12149	4.6
316.02258	4.9
317.03122	10.7
317.06409	3.3
317.10092	3.8
326.11615	11.4
327.12125	9.4
329.13904	10.0
340.09494	4.0
341.14038	15.0
343.11789	5.1
345.06308	3.0
355.11615	8.6
358.10626	2.0
373.13013	3.6
385.08029	2.1
385.14999	3.6
404.04453	1.8
418.12659	3.1
433.14893	6.7
473.14368	4.8
476.16843	8.1
477.19739	3.6
488.17029	7.3
491.19217	96.1
492.19708	10.7
503.19281	100.0
504.19452	14.3
521.09314	12.8
521.21271	11.4
521.33276	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	521.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88515	0.3
57.03318	0.7
59.01241	4.3
59.01491	0.4
67.01726	0.4
69.35642	0.6
69.35978	3.5
71.01262	2.7
72.99187	0.5
73.02805	0.6
75.00752	0.5
77.13743	0.3
79.01762	0.6
81.03365	0.3
82.61050	0.3
83.01267	0.8
85.02831	1.5
89.02329	1.0
95.01281	1.0
97.02831	0.5
99.00771	0.7
99.07796	0.3
101.02328	1.3
107.01266	3.1
111.00796	2.0
113.02318	0.9
116.59149	0.4
119.04923	0.6
121.06424	0.6
123.00755	6.0
124.01517	1.9
125.02335	26.9
126.02689	1.0
127.00275	0.7
136.98703	1.3
137.02316	1.1
137.09624	2.1
139.00255	2.3
139.03874	0.9
140.01050	2.8
141.01793	0.7
145.02895	0.8
149.02324	0.4
151.00308	2.2
151.03799	0.4
163.03888	0.5
165.01883	0.9
167.03409	2.3
168.00569	11.4
169.01338	33.3
170.01668	1.2
177.01849	1.4
180.21120	0.4
183.02913	0.6
193.01387	0.6
211.02415	52.6
212.02794	2.6
231.32617	0.4
241.03566	2.2
243.02956	0.6
271.04581	100.0
272.04984	5.0
276.16812	0.4
282.63583	0.4
300.02521	0.5
302.03082	0.4
306.26306	0.4
315.08755	0.5
331.06677	16.4
332.06973	1.3
380.23947	0.4
521.12958	0.7
521.20239	14.6
521.33087	1.3
522.20551	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61568	2.8
59.01249	8.6
63.96095	6.3
69.24296	11.4
69.24719	15.9
69.30149	2.2
71.01247	7.8
72.67815	2.0
73.02850	4.1
75.00742	41.1
78.95798	3.2
78.98465	17.2
78.98859	3.1
84.11565	2.5
87.00737	5.1
89.02320	10.5
95.55925	2.3
96.96822	2.9
101.02343	3.0
110.80281	3.0
112.14271	2.6
125.02339	6.0
143.03406	5.0
149.04420	10.9
153.01837	6.6
154.90697	3.0
161.04430	5.2
163.03854	2.8
169.01277	4.1
179.05530	100.0
180.03323	11.1
180.06557	7.3
294.45837	3.0
331.06528	2.8
341.10748	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	521.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.9
57.03324	2.0
57.53604	0.5
59.01255	12.5
65.00203	0.8
69.36658	5.5
71.01257	12.6
72.01588	0.6
72.99187	1.8
73.02821	2.8
75.00742	1.1
81.03335	0.5
83.01260	9.2
84.01596	2.0
85.02823	10.1
87.00768	2.6
89.02325	4.5
95.01258	3.7
97.06483	0.6
99.00753	1.6
101.02321	8.5
107.01275	1.9
108.02065	0.9
108.37414	0.5
109.02844	2.8
111.00770	2.4
113.02339	5.9
119.03394	1.9
119.04850	0.7
119.29752	0.6
121.02859	2.2
122.03629	1.3
123.00778	5.6
123.04448	0.8
124.01575	1.2
125.02336	4.8
129.01810	0.9
136.01572	1.5
136.05103	0.7
137.02347	10.2
137.05968	1.5
138.03191	0.7
138.99240	1.1
139.00273	16.6
143.03499	0.8
149.00826	6.0
149.99483	1.6
151.00281	7.9
153.01817	1.2
159.02983	1.0
161.04472	5.0
161.33415	0.5
163.00241	1.3
163.03896	1.7
164.01086	4.8
165.01848	10.1
166.02618	2.3
168.00603	0.9
169.01340	4.5
175.03952	0.6
177.01785	0.7
178.99751	0.7
179.03384	1.0
179.05463	0.6
187.03976	0.8
191.01889	1.0
196.00058	0.8
199.03978	0.8
201.14819	0.8
203.03395	0.9
207.06564	2.7
211.02339	1.1
227.03471	3.2
228.04037	0.7
232.15152	0.5
244.03816	0.7
253.05138	1.0
255.03020	1.7
256.03754	2.1
259.06055	4.9
269.04623	1.0
270.05304	2.2
271.06351	6.9
271.56580	0.6
272.03281	3.0
272.06125	0.9
285.07532	1.3
287.05615	32.3
288.06000	2.2
302.08008	5.1
313.05783	1.4
317.10303	100.0
318.07208	1.0
318.10651	9.7
319.17648	4.8
327.15936	0.8
344.11383	0.6
345.17096	2.2
349.27353	0.7
357.13394	3.3
358.13885	3.8
358.26526	0.8
359.14056	7.9
359.27887	2.3
503.32257	1.8
520.32068	2.4
521.12897	1.9
521.20648	2.7
521.33185	8.8
522.13617	0.7
522.21497	0.7
522.33740	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.4
59.01252	78.5
60.99172	13.7
71.01251	8.1
73.02817	2.4
75.00744	2.5
81.03342	1.4
83.01265	10.9
83.13413	1.1
84.01564	1.7
84.94971	3.1
85.02831	4.3
87.00765	1.3
88.98679	100.0
89.02306	3.3
97.02874	1.3
98.19748	2.8
101.02330	4.4
107.01292	1.7
109.02840	1.9
113.02317	5.2
119.03376	1.5
121.02817	2.4
121.28304	1.2
123.00748	2.0
123.04457	2.0
125.02352	17.0
137.02351	1.9
139.00325	1.4
151.00281	4.8
151.03871	1.5
161.02544	1.3
161.51549	1.2
165.50757	1.2
167.03392	3.8
168.00584	1.4
169.01347	14.1
177.01903	1.9
193.01266	1.8
207.06592	14.1
271.04523	2.7
273.07642	2.2
274.07870	1.4
284.89954	1.3
285.04071	1.3
313.05627	15.1
317.84210	1.5
357.13599	6.1
358.13937	10.7
358.27023	1.5
359.14182	6.8
431.09683	1.9
520.31860	3.0
521.12860	20.1
521.19879	3.2
521.26227	2.0
521.33063	3.7
522.13312	3.1
522.21552	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0936
Annotation	Quercetagetin 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
57.03317	0.7
59.01250	1.7
62.99694	0.2
63.02276	0.5
65.00205	0.7
69.03335	0.3
71.01247	1.1
71.58662	0.3
71.59025	0.4
72.99217	0.3
73.02826	0.3
75.00751	0.6
76.08875	0.2
81.03358	0.6
82.70885	0.3
83.01267	1.1
85.02837	1.2
87.00742	1.0
89.02301	0.3
91.01786	0.3
93.03328	0.6
95.01261	0.4
101.02335	0.5
102.41973	0.3
107.01273	2.2
109.02833	1.3
113.02318	0.8
115.00272	1.0
121.02892	0.5
123.00829	0.5
123.04414	0.6
124.01558	3.2
125.02348	4.8
134.03613	1.0
135.00804	0.5
135.04471	0.5
136.01553	1.0
137.02310	2.4
148.01579	0.5
149.02370	0.7
149.06007	0.3
150.03091	0.7
151.00278	6.5
152.01089	1.7
153.01833	0.6
157.01315	0.4
161.02393	0.6
163.00299	2.1
164.01064	2.5
165.01892	0.7
165.05505	1.0
169.01382	1.5
171.04413	0.4
174.18250	0.3
175.02449	1.9
175.03848	0.5
177.01750	0.4
178.02647	0.3
178.99786	7.0
179.03320	0.5
185.02391	0.6
187.04008	0.9
189.01823	0.3
192.00623	0.6
193.01355	0.4
193.04999	1.7
195.06569	0.9
199.03978	1.0
201.01967	0.3
203.03450	1.6
204.04114	0.8
206.02124	0.3
213.02008	0.4
213.74260	0.3
214.02658	8.3
215.03423	1.4
216.04161	0.3
217.01306	0.5
221.05896	0.3
227.03497	1.1
229.01335	0.3
231.03008	0.6
232.03633	0.5
237.01897	0.4
241.01231	0.3
242.02196	5.7
243.02946	5.0
244.03746	0.4
255.02997	0.4
259.02481	7.4
260.02856	0.6
267.02988	0.3
269.04388	0.4
270.01715	6.7
271.02472	42.4
272.02856	2.4
273.07324	0.2
281.00934	0.4
287.01984	23.7
288.02487	3.1
289.07156	1.0
299.02014	1.7
301.03513	0.7
315.01587	0.6
315.12851	0.3
316.02234	100.0
317.02859	17.6
317.06308	0.6
318.03409	0.6
327.01422	0.5
329.02954	0.5
341.10379	0.8
345.02786	0.7
359.08679	0.6
477.14517	0.3
479.08472	1.9
480.08334	0.3
521.09344	56.5
522.09619	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	521.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43416	0.7
57.03323	0.9
59.01218	0.9
61.52161	0.7
63.42296	0.6
65.00201	2.4
68.99688	1.0
69.30627	9.1
80.06342	0.7
83.01282	0.9
95.01262	1.9
96.99139	1.0
101.75269	0.8
107.01272	2.2
109.02826	2.7
109.99986	12.2
111.00796	5.3
123.00737	3.0
124.01553	1.9
125.02374	5.3
125.99386	0.7
133.02852	1.8
136.01527	1.1
136.98701	1.8
137.02325	1.1
137.99492	6.1
139.00279	15.8
139.03920	0.9
148.01682	1.3
149.02231	0.8
151.00272	8.0
152.01056	3.8
153.01849	0.9
155.05002	1.0
159.04436	1.3
163.00278	2.7
163.03831	0.9
164.01048	3.4
164.98175	1.2
165.99001	19.7
166.99782	7.4
171.04478	1.5
176.01068	1.0
178.99809	13.6
183.04483	1.0
185.00890	0.9
187.03867	2.0
189.01859	1.1
193.98466	2.2
194.99257	3.0
198.03194	1.7
199.03925	2.7
201.01897	2.5
203.03389	2.4
206.99300	1.5
214.02669	3.3
215.03455	2.5
217.01550	1.1
226.02669	1.0
227.03505	4.8
228.04065	0.8
231.02988	1.9
232.03735	0.8
239.03876	0.9
242.02193	4.4
243.02951	7.8
244.03618	1.8
245.04370	0.9
255.02927	4.4
259.02609	4.5
270.01660	5.8
271.02484	39.8
272.03091	5.4
273.03870	1.9
287.01990	24.9
288.02588	4.7
288.05383	0.8
299.01959	24.2
299.05338	1.7
300.02371	2.6
301.03378	1.0
315.01706	0.9
316.02246	99.7
317.02991	62.6
317.10379	2.2
318.03418	5.3
341.03314	1.0
363.64322	0.9
395.06375	0.9
479.08478	5.5
521.09369	100.0
522.09558	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	520.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45505	0.3
59.01246	0.5
66.00941	0.3
70.87215	0.4
70.87557	0.8
72.17496	0.3
78.95776	47.1
80.41734	0.4
85.78300	0.3
87.68722	0.3
96.96834	6.5
149.58585	0.4
150.97908	1.2
152.59256	0.4
152.99489	100.0
153.99823	1.3
161.05101	0.3
171.00548	3.8
171.27353	0.4
241.21622	2.2
279.23340	1.1
433.23590	22.4
434.23883	2.8
438.26187	1.1
520.15308	1.0
520.26746	2.7
521.26941	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41288	2.2
57.03305	4.4
58.90495	2.4
59.01255	19.3
63.02272	5.1
63.69049	2.2
65.00195	9.0
69.33232	26.5
71.01259	12.5
72.99190	3.2
73.02814	3.3
75.00746	2.9
83.01266	6.4
85.02832	11.9
87.00755	3.6
89.02351	3.9
93.03354	6.4
93.06927	2.2
95.01250	3.6
99.00791	2.5
101.02328	6.9
104.95377	2.2
107.01263	12.9
108.02067	23.3
109.02842	15.5
109.99986	3.8
111.00736	3.6
113.02327	6.4
117.03363	3.5
121.02844	11.7
123.00748	6.2
124.01530	7.7
125.02341	24.6
126.47987	2.5
133.02895	2.7
135.00778	4.2
136.01572	2.7
137.02328	14.4
139.00285	11.1
143.04912	4.1
145.02878	3.3
149.02356	5.8
151.00272	37.6
151.03870	2.7
152.01048	24.1
153.01836	9.9
153.99022	3.3
154.99734	6.6
155.04922	3.8
159.04431	3.0
161.04625	3.0
163.00279	9.1
163.03912	2.3
164.01068	10.6
165.98997	7.7
166.99767	3.1
169.01338	5.9
171.04405	5.5
175.00194	2.9
175.03937	3.6
176.01126	4.8
178.99820	24.0
181.98434	4.3
183.04448	3.4
186.41054	2.5
187.03949	7.3
190.02663	7.7
191.03464	4.3
192.00591	3.9
193.01324	6.8
199.03954	8.0
201.01900	7.7
201.05496	4.0
203.03426	9.9
205.01262	3.1
205.03206	2.7
205.04982	5.4
206.84248	2.6
206.99301	4.2
208.00078	9.1
209.00925	4.1
213.05663	2.5
215.03467	9.2
216.04088	3.0
217.05060	3.0
227.03380	16.2
231.02917	10.6
232.03558	2.8
233.00815	4.2
242.02124	6.3
243.02884	11.1
255.02919	13.0
259.02487	12.4
270.01755	11.6
271.02469	96.5
272.03067	11.3
273.03964	6.9
273.88507	2.5
284.03113	4.7
285.03989	3.4
287.01990	24.2
288.02646	5.0
299.01978	100.0
300.02365	9.8
301.03360	5.4
315.01337	3.8
316.02246	77.4
317.03012	40.6
317.10135	6.7
413.07364	4.8
521.08881	72.2
521.20880	5.5
521.33197	8.6
522.09845	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	520.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
71.15850	0.8
71.16186	0.9
74.65981	0.5
78.95778	65.9
96.96852	5.9
111.97551	0.6
134.21800	0.6
150.34215	0.5
150.97922	1.9
152.99493	100.0
153.99843	1.2
156.84236	0.6
171.00569	2.6
179.57150	0.5
245.48427	0.6
279.23334	2.5
381.52786	0.6
409.13107	0.7
433.23593	36.4
434.23941	4.5
520.15308	0.8
520.26599	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	520.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00368	1.3
54.87441	1.3
59.01246	10.3
61.70763	1.7
62.09797	1.5
65.00198	2.8
65.99725	2.4
67.01765	1.7
67.39550	1.6
69.03322	1.5
69.50731	1.4
69.51054	13.7
71.01246	7.4
72.99179	1.5
73.16212	1.6
73.55582	1.5
74.14072	1.6
75.00752	1.8
81.03324	7.2
83.01254	5.2
85.02811	3.7
87.04385	4.0
89.02306	3.7
93.03316	2.7
95.01254	3.1
95.04890	6.8
96.05241	1.9
97.02826	6.1
97.53532	1.3
98.20532	2.0
99.04382	2.4
101.02332	2.4
107.01268	4.2
108.02083	1.5
109.02825	12.5
111.00735	2.2
111.04392	7.2
112.04675	1.7
113.02325	4.6
119.01328	1.5
120.00816	1.8
121.02852	7.2
123.00808	4.2
123.04385	5.1
124.01588	2.0
125.02343	26.6
126.02650	6.9
126.47048	1.5
133.02858	2.8
134.02373	5.4
135.00801	2.7
135.04402	2.6
137.02339	12.2
146.02266	1.9
147.00772	2.2
147.04482	2.2
148.01561	18.0
149.02377	7.7
150.03149	3.4
151.00282	9.9
151.03854	1.8
151.07547	6.4
152.01019	3.3
152.07877	2.6
153.01822	1.6
153.05475	2.7
158.02379	1.6
158.32062	1.4
159.04401	3.2
160.05219	5.7
161.02339	4.3
161.06004	2.5
162.01884	12.3
163.00267	7.0
163.02556	1.9
163.03902	3.7
164.03450	9.5
165.01814	2.8
165.09146	10.0
166.02637	1.4
166.09453	7.5
166.99777	3.0
167.03429	19.6
168.03751	8.2
169.01277	1.7
169.03751	1.6
169.08627	1.7
170.08945	1.7
175.00237	3.2
175.03940	2.3
175.07585	5.9
176.01038	3.5
177.01857	35.1
178.02283	2.3
178.99753	8.5
179.03281	2.4
186.01862	8.1
187.03976	2.5
190.01309	5.1
191.02110	6.4
191.03609	3.0
192.00414	1.4
193.01216	3.2
193.04910	2.1
193.08685	3.6
194.09012	2.0
195.06522	5.5
196.06941	2.3
199.04053	1.9
202.01389	2.3
202.99800	5.6
203.01903	1.6
204.02963	31.6
205.01227	2.0
207.06578	2.6
208.06961	5.1
209.08018	1.9
210.08566	1.8
215.03540	2.6
219.06595	6.0
220.06873	5.0
227.03430	4.6
230.00816	12.0
233.08250	4.0
234.08420	3.7
237.07645	79.4
238.07982	75.6
239.08127	4.4
242.02161	1.9
243.02896	6.2
245.04425	1.8
255.02962	3.2
257.04434	5.8
258.04785	3.0
259.02518	2.0
261.07639	16.5
262.07974	23.5
263.08252	2.2
267.02835	2.2
268.08960	3.2
270.01797	3.3
271.02444	20.7
272.03110	6.7
273.03998	4.1
273.07294	4.5
279.08829	2.9
280.08987	4.0
284.03152	1.9
285.04001	3.2
287.02072	3.0
294.04117	3.9
295.02319	2.2
299.01935	25.0
300.02539	8.7
310.03494	2.6
311.04337	2.3
311.07672	4.9
313.03397	11.0
314.04144	1.7
315.04706	2.5
315.08777	5.5
316.02264	10.2
316.08975	9.8
317.02945	16.3
322.03510	11.3
324.05499	2.7
329.08966	2.5
329.13907	19.2
339.03815	16.1
340.04559	29.2
343.06714	3.4
355.06696	8.8
355.82764	1.6
357.04648	4.5
358.05542	5.8
384.09363	30.3
399.12909	35.3
400.13312	100.0
401.13501	9.2
410.07224	20.9
411.07727	3.3
430.14252	3.1
435.09274	1.9
462.08032	5.3
479.08328	11.2
480.09161	2.0
502.09891	24.9
503.10333	4.0
520.10895	58.2
520.17639	5.6
521.11316	9.1
521.22736	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	519.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	3.5
57.03324	3.9
58.00471	1.6
59.01255	42.0
69.53418	1.5
69.53825	5.7
71.01260	45.2
71.04595	0.8
72.99184	1.8
73.02824	11.3
83.01270	6.1
84.04254	0.8
85.02343	1.5
85.02831	21.0
85.99981	1.4
87.00756	3.3
89.02324	16.2
95.01252	3.7
97.02845	1.1
97.06466	0.9
98.19822	1.6
99.00779	4.8
99.04456	0.8
99.70289	0.8
101.02326	26.5
111.00754	3.0
113.02334	17.8
119.03403	8.1
121.10101	2.0
125.02342	2.8
125.09630	1.2
127.11140	1.3
131.03398	0.8
135.04453	1.3
143.03360	1.2
149.02335	2.4
149.05846	0.7
157.12230	1.0
159.02919	2.4
161.02390	1.0
161.04478	6.4
163.03943	1.7
164.04672	0.9
171.13885	2.0
179.05507	1.1
185.11760	1.2
199.13290	0.8
200.14072	2.3
201.14825	1.5
227.16415	1.2
229.18083	2.4
254.05759	0.8
269.08167	7.7
270.05243	2.8
282.05374	1.8
285.07727	8.3
297.07642	3.0
300.09998	5.1
315.08737	1.8
315.12390	24.5
316.12717	2.8
321.24396	2.3
339.25372	2.6
357.26480	27.9
358.26871	2.7
362.19440	9.4
363.19641	1.0
391.23260	1.2
394.18359	2.7
459.16718	0.8
459.29770	1.0
483.29291	1.6
489.30728	1.2
501.30798	3.1
519.31775	100.0
520.32068	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	519.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	3.5
57.03321	5.8
58.00471	4.0
59.01255	82.5
60.01600	1.2
69.03350	0.8
71.01257	70.2
71.04906	0.8
72.01606	1.1
72.99182	3.9
73.02822	8.1
75.00763	1.2
83.01266	5.6
85.02825	21.7
85.06483	0.7
87.00742	5.7
87.04398	1.4
89.02322	47.1
93.38589	0.5
95.01273	5.7
97.06425	1.2
98.20570	1.3
99.00745	4.1
101.02325	45.4
102.02664	0.8
111.00776	1.6
113.02333	28.3
119.03394	23.6
119.04248	1.2
121.10111	1.0
125.02318	1.4
129.01807	0.8
129.09128	1.3
131.03421	2.0
143.03415	3.7
143.10698	1.7
149.04477	1.9
159.02904	2.0
161.04475	9.3
163.11360	0.6
179.05550	7.0
187.13318	0.9
197.15401	0.6
201.14880	0.6
229.17998	0.8
229.85249	0.8
229.87389	0.8
269.08356	0.7
272.97571	0.7
293.79327	0.6
297.24536	1.4
309.24377	1.0
315.08914	0.8
315.12381	1.7
315.34442	0.6
321.24301	2.6
339.25424	1.7
341.83957	0.5
357.26477	45.1
358.26788	5.1
370.67374	0.7
371.46924	0.6
399.23654	0.7
438.28784	0.5
483.29907	0.7
501.30243	0.6
519.31781	100.0
520.32080	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	519.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	5.4
57.03333	11.3
57.72401	1.4
58.00471	3.6
59.01252	90.3
61.98719	2.0
63.98336	1.6
69.48560	8.3
69.48968	3.9
71.01254	100.0
71.04895	2.7
72.01633	1.7
72.99184	5.1
73.02820	25.1
75.00757	4.5
83.01252	11.4
85.02826	60.2
86.03149	2.0
87.00741	5.0
87.04424	2.7
89.02315	30.2
95.01263	9.7
97.02840	4.2
97.06480	4.8
99.00774	11.5
99.04385	1.9
101.02328	56.2
102.02667	2.6
103.00290	1.4
108.02046	3.7
111.00794	4.4
113.02332	43.2
117.09250	1.5
119.03379	12.1
121.02814	2.4
123.00794	2.7
124.01588	2.1
124.87495	1.5
125.02356	13.2
125.09674	1.9
129.01811	2.4
134.03683	1.7
135.04420	6.2
143.03418	5.0
147.02881	3.4
147.04381	1.7
148.01558	2.2
149.02330	5.6
149.04515	1.8
149.05977	1.8
151.00270	1.8
151.03918	1.7
152.00970	2.1
159.02914	5.2
160.01636	2.0
161.04474	52.4
161.05843	3.2
162.04784	1.8
163.03917	4.3
164.04697	4.4
169.01343	2.9
175.02502	1.9
177.01759	1.7
179.03430	3.4
179.05458	1.6
188.04901	1.7
191.01863	4.9
201.05490	11.5
205.03464	2.7
210.06779	2.3
227.03621	2.2
229.05022	6.3
241.05069	1.9
242.09520	8.9
243.02873	10.0
249.06100	3.3
255.03026	3.8
257.04602	4.1
267.07202	3.5
269.08157	24.5
270.02170	1.6
270.05310	11.4
270.08551	3.4
271.02496	7.0
271.05444	1.7
272.03189	5.3
283.13309	11.9
285.04111	7.4
285.07684	27.5
286.08017	2.9
293.11819	6.8
299.02066	4.2
300.02762	36.8
300.06360	3.3
300.09946	17.1
301.03210	4.5
311.12894	52.5
312.13287	5.3
314.04483	7.8
315.05081	42.7
315.08807	11.1
315.12408	76.7
316.05438	4.7
316.09335	2.0
316.12595	7.7
319.17615	49.4
320.18048	3.1
333.19229	14.4
339.25381	5.5
355.11697	15.3
356.12799	1.8
357.13120	2.5
357.26428	14.7
387.23895	2.9
441.36902	1.6
459.16901	3.6
501.30685	21.0
502.30908	2.3
506.89572	1.8
519.11328	12.6
519.24231	11.3
519.31750	32.4
520.32159	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	519.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16178	0.8
57.03334	1.6
59.01250	11.5
67.01744	1.2
67.73866	0.8
69.03314	1.1
70.88630	1.6
70.88972	1.0
71.01254	16.2
71.76325	0.9
72.99178	5.4
73.02829	1.5
74.79886	0.7
75.00749	17.9
83.01245	1.2
85.02828	17.3
87.00760	6.9
89.02323	3.3
93.03325	0.8
95.01243	4.2
97.22266	0.8
98.19808	0.8
99.00761	8.9
103.00246	2.4
113.02330	25.4
115.00270	2.0
117.01829	3.1
127.41364	0.9
129.01836	1.4
157.01311	1.4
175.02365	3.3
199.03372	0.9
205.07140	0.9
214.42131	0.9
214.43977	0.8
231.05103	1.5
232.16907	0.8
248.23694	1.1
249.06123	20.0
256.82837	1.0
267.07126	2.6
269.24844	100.0
270.25183	8.8
501.30481	2.9
519.31744	90.5
520.32135	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	519.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12091	1.6
57.03286	2.1
59.01244	11.9
60.49857	1.5
71.01256	12.9
72.99175	5.8
74.81521	1.5
75.00746	16.5
79.10658	1.9
79.86671	1.6
82.21049	1.4
85.02819	21.2
87.00758	8.3
87.68253	1.5
89.02316	3.6
93.03359	1.6
95.01265	2.7
95.02852	1.7
95.36169	1.5
98.19824	3.9
99.00771	9.1
113.02330	25.8
115.00253	3.2
117.01826	2.3
127.94250	1.7
157.01370	1.6
158.04730	1.9
158.43434	1.6
175.02423	2.4
191.07161	1.6
229.69337	2.3
231.05089	2.8
249.06198	18.2
267.07196	3.8
269.24854	100.0
270.25156	7.7
351.00345	1.6
468.99893	1.7
501.30594	3.8
519.31732	94.8
520.32312	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	519.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87473	0.7
53.00153	0.7
55.01762	4.6
57.03320	6.4
58.00465	2.1
59.01255	54.6
69.03322	1.1
69.48275	2.0
69.48689	4.5
69.53913	0.7
71.01257	54.4
72.99186	2.3
73.02823	13.4
75.00749	1.8
77.70904	0.8
83.01260	7.3
83.04891	1.1
84.02042	0.7
85.02827	27.6
87.00769	5.9
87.04405	2.3
89.02320	20.3
93.06975	6.2
95.01267	5.3
97.06470	1.3
99.00769	6.6
101.02326	33.3
109.02839	1.2
111.00752	3.5
113.02337	22.6
115.93345	0.7
118.01313	1.0
119.03394	8.3
121.02859	1.9
121.10061	1.1
125.02355	3.7
129.01825	2.5
137.02336	1.0
137.09596	2.6
139.07599	0.9
142.61884	0.8
143.03380	2.3
149.02359	1.4
149.04410	1.2
151.00293	1.1
155.10693	1.0
159.02917	4.1
161.04506	11.1
171.13867	0.9
179.05515	2.4
179.10741	1.0
185.15375	1.1
191.01886	1.6
193.01413	4.3
193.02934	0.9
212.46460	0.8
223.09775	4.5
224.10081	3.3
225.10268	2.5
227.16429	9.5
229.18117	3.0
256.03784	1.2
257.04538	2.6
271.02399	1.1
285.04132	1.9
300.06119	0.9
301.03525	0.9
309.24292	0.8
315.05295	1.4
315.08740	7.8
315.12323	1.4
321.24277	2.7
339.25397	2.2
343.04547	14.9
344.04883	2.3
345.19269	1.2
357.26459	29.6
358.26819	3.1
362.19489	1.6
389.21805	23.2
390.22498	8.1
391.23254	7.1
422.21588	3.4
423.21466	1.0
429.28003	1.0
441.28571	2.6
459.29752	0.9
471.29474	1.3
483.29614	1.4
501.30920	2.0
519.31744	100.0
520.32092	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	519.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64630	0.4
55.01751	0.7
57.03328	33.5
58.00456	0.4
58.03658	0.5
59.01254	43.2
60.01578	0.7
69.34369	3.4
69.34785	0.7
71.01261	10.2
72.99192	0.8
73.02818	2.7
75.00739	0.7
81.03318	0.6
82.27261	0.5
83.01254	2.3
85.02827	14.1
87.00774	0.9
89.02320	2.3
92.91337	0.4
95.01279	1.2
97.02856	0.5
99.00753	1.4
99.04402	30.2
100.04716	0.7
101.02330	12.8
102.02644	0.5
108.02042	0.9
109.02855	1.2
111.00738	0.7
113.02325	4.5
119.03386	1.0
121.02854	3.0
123.00819	1.4
124.01545	2.6
125.02343	18.7
126.02625	0.9
129.01836	1.4
135.04430	4.0
137.02304	0.7
143.03398	1.0
145.02797	0.5
146.03619	0.7
147.02895	1.0
147.04402	0.5
148.01559	1.7
149.02357	6.2
149.05971	1.6
150.03061	0.5
152.01080	0.9
153.01874	0.6
161.02347	0.8
161.04459	3.6
161.05751	0.6
163.03897	4.7
164.04704	4.9
169.01624	0.4
191.01903	4.3
197.05925	0.6
200.44202	0.4
201.05537	5.3
209.06120	0.6
214.06335	0.9
224.04694	0.6
224.08234	0.5
225.05545	1.0
226.06248	0.8
227.03520	0.7
229.05077	2.4
229.08627	0.9
238.06352	0.9
241.05093	0.7
241.08704	0.6
242.05801	1.2
242.09479	2.4
243.02930	1.6
249.14835	0.5
251.10826	0.6
253.05045	3.3
254.05785	2.7
255.02917	1.5
255.06487	1.1
257.04565	0.8
257.08121	0.7
265.12466	0.6
268.07428	1.1
269.04932	1.3
269.08179	26.9
270.02338	0.6
270.05328	13.5
270.08591	3.0
271.02451	1.5
271.05695	1.6
274.08524	1.0
283.13388	3.9
285.04242	1.5
285.07684	30.8
286.07983	1.9
293.11856	1.8
294.12012	0.5
297.07602	1.3
300.02872	0.8
300.06812	0.4
300.10016	15.4
301.10403	1.8
311.12881	18.3
312.13248	1.6
314.04388	1.5
315.12387	100.0
316.12701	10.5
319.17560	0.9
355.11917	5.4
356.12500	0.7
357.26483	1.3
375.23886	9.1
376.24316	1.3
417.25003	1.7
419.22763	1.3
459.16818	4.6
460.16742	1.0
501.31479	0.6
518.49609	0.5
519.10553	2.5
519.28094	1.9
519.30975	1.7
535.77417	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.8
56.84895	0.3
57.03327	1.5
59.01252	100.0
60.01595	0.9
68.72062	0.3
71.01257	9.4
71.57870	0.6
72.99175	0.8
73.02821	2.9
74.28506	0.3
75.00757	0.4
77.77077	0.3
77.85286	0.3
83.01248	1.9
85.02823	4.6
87.00735	0.9
87.04430	0.4
89.02313	2.5
95.01269	0.7
97.02835	0.5
99.00776	1.4
99.04416	0.8
99.55217	0.3
101.02329	6.7
113.02328	4.3
119.03378	0.6
119.15202	0.3
125.02365	1.4
131.03410	0.4
143.03404	0.5
159.02916	0.5
161.04453	3.1
197.62386	0.4
204.96783	0.3
254.05811	0.4
282.05270	1.8
283.05859	0.4
297.07617	2.9
315.18091	0.8
357.13556	0.4
357.26743	0.4
381.22916	0.4
399.23834	4.6
399.28091	0.4
400.24188	0.7
417.24973	3.5
418.25327	0.6
459.25858	1.6
477.23584	4.0
478.23776	0.6
519.24512	1.3
519.31787	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.8
56.84895	0.3
57.03327	1.5
59.01252	100.0
60.01595	0.9
68.72062	0.3
71.01257	9.4
71.57870	0.6
72.99175	0.8
73.02821	2.9
74.28506	0.3
75.00757	0.4
77.77077	0.3
77.85286	0.3
83.01248	1.9
85.02823	4.6
87.00735	0.9
87.04430	0.4
89.02313	2.5
95.01269	0.7
97.02835	0.5
99.00776	1.4
99.04416	0.8
99.55217	0.3
101.02329	6.7
113.02328	4.3
119.03378	0.6
119.15202	0.3
125.02365	1.4
131.03410	0.4
143.03404	0.5
159.02916	0.5
161.04453	3.1
197.62386	0.4
204.96783	0.3
254.05811	0.4
282.05270	1.8
283.05859	0.4
297.07617	2.9
315.18091	0.8
357.13556	0.4
357.26743	0.4
381.22916	0.4
399.23834	4.6
399.28091	0.4
400.24188	0.7
417.24973	3.5
418.25327	0.6
459.25858	1.6
477.23584	4.0
478.23776	0.6
519.24512	1.3
519.31787	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91201	0.7
55.01749	2.4
57.03308	2.8
58.00454	1.0
59.01252	79.0
60.01580	1.2
61.98699	2.0
66.94055	0.7
69.03300	1.2
69.51608	6.2
71.01254	25.4
71.04884	2.6
72.99182	1.7
73.02827	6.1
75.00742	2.1
78.34853	0.8
81.03336	0.9
83.01247	4.4
85.02824	13.0
85.99954	0.7
87.00754	1.9
89.02315	9.7
95.01256	2.3
99.00764	2.3
101.02327	16.1
102.02658	0.6
104.97107	0.7
111.08030	1.3
113.02330	8.8
119.03368	3.3
119.04980	1.0
121.02832	1.3
124.01572	0.8
125.02332	6.6
135.04431	1.5
145.02834	1.0
148.01520	0.7
149.02354	4.2
149.05823	1.0
150.44943	0.8
153.12827	0.7
155.10670	3.4
159.02881	1.4
161.04463	6.1
163.03896	3.0
164.04694	2.0
167.10759	1.0
169.01314	1.2
179.05482	0.8
179.10732	0.9
179.14334	1.7
180.15698	0.8
195.06609	0.9
195.13808	5.0
205.12288	5.1
223.13345	47.7
224.13695	2.5
253.05048	2.5
253.09273	6.5
254.05678	1.7
255.06493	1.2
267.06635	0.9
269.08182	10.5
270.05307	6.9
270.08188	1.4
271.05957	0.8
285.07690	16.0
286.08170	1.2
300.10019	8.5
301.06952	0.9
315.12390	44.2
316.12570	4.2
339.25473	1.9
357.26489	4.1
441.28558	1.3
459.22369	4.1
459.29633	2.2
501.30453	1.4
519.31714	100.0
520.24884	0.9
520.31982	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	519.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
61.29647	56.5
61.51183	53.5
78.95792	100.0
96.46985	41.8
98.20583	80.6
99.30833	51.2
135.88939	50.9
152.99474	83.5
154.15552	55.4
207.82213	53.3
519.00983	55.3
544.40765	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09361	0.6
59.01247	0.8
65.13467	0.5
67.19889	0.6
71.58519	0.8
78.95777	26.8
96.96883	2.9
109.66107	0.6
110.98409	5.5
122.84893	0.5
123.04441	1.1
124.19474	0.6
125.21848	0.5
137.06017	1.0
150.32820	0.7
150.97885	0.7
152.99492	37.6
153.99805	5.2
165.09068	1.1
167.01080	2.0
167.10696	0.7
167.14325	0.8
171.00609	1.5
180.38092	0.6
185.02129	5.9
205.44641	0.8
207.13898	0.6
217.16080	1.0
245.19022	1.7
265.18109	0.8
289.25415	3.9
307.26257	0.7
333.24341	100.0
334.24692	10.7
346.97910	0.7
351.25378	27.9
352.25562	3.2
431.22021	1.0
432.22336	5.1
519.27197	13.7
519.34515	1.0
520.27435	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34583	0.7
55.01749	1.3
56.55145	0.7
57.03312	2.5
58.00465	0.8
59.01255	65.3
61.98678	1.5
68.43612	0.7
69.03333	0.8
70.83467	0.8
71.01257	25.1
71.04886	3.3
72.75161	0.7
72.99191	0.9
73.02820	6.5
74.96793	0.8
75.00748	1.3
83.01251	2.8
85.02831	11.1
87.00750	1.4
89.02324	8.2
95.01262	2.0
99.00748	2.8
101.02325	14.7
101.47705	0.7
105.85976	0.6
108.02057	0.8
108.74457	0.6
109.02824	0.9
113.02334	10.1
119.03381	3.3
121.02785	1.0
123.04181	0.7
124.01548	1.1
125.02337	7.5
129.01875	1.5
135.04404	3.1
137.02345	1.2
139.22742	0.9
143.03438	1.0
145.02913	0.9
149.02368	4.8
151.07458	0.9
155.10686	3.4
159.02858	0.9
161.02377	1.1
161.04472	4.3
163.03905	3.0
164.04681	2.5
167.10620	1.9
168.00560	0.6
179.14243	0.8
184.23529	0.7
195.06561	2.4
195.13835	3.2
197.05992	0.7
201.14938	1.2
203.12871	1.2
205.12318	3.4
223.13359	39.2
224.13713	1.8
253.05026	1.8
253.09315	6.0
255.06656	1.5
269.08212	13.9
270.05399	8.6
270.08203	1.0
271.05728	1.1
285.07687	16.2
286.07971	2.2
300.10022	10.0
301.07410	1.1
315.12381	51.8
316.12622	4.9
339.25665	1.5
357.26483	3.3
417.11737	0.7
441.28799	0.9
459.16782	1.5
459.22473	3.9
459.29141	1.2
501.30618	0.9
518.30951	2.0
519.31720	100.0
520.31934	4.7
538.77545	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.5
56.46925	0.8
57.03326	3.8
57.03563	0.6
58.00448	1.2
59.01254	37.7
68.99692	1.0
69.03333	0.9
69.45213	6.6
71.01256	26.0
72.99188	4.5
73.02814	2.5
75.00749	11.9
82.64526	0.7
83.01266	6.4
83.04863	0.7
85.02827	23.1
87.00748	7.3
89.02330	6.4
95.01258	4.1
97.02845	1.0
97.89621	0.7
99.00761	10.3
99.04387	1.2
101.02319	5.8
103.00241	1.4
108.82619	0.6
109.02863	1.5
109.06462	1.2
111.00748	1.8
113.02336	27.8
114.02599	0.9
115.00239	1.2
117.01824	1.3
118.04213	0.8
119.03347	1.3
121.02895	0.9
123.04416	0.7
125.02335	2.3
129.01816	2.8
137.05977	0.9
148.01591	0.8
149.02345	2.1
151.00345	1.6
155.27258	0.7
157.01379	1.0
161.02339	0.8
161.04468	1.8
165.12680	1.9
175.02393	1.4
179.56920	0.7
189.12715	0.9
191.01831	1.5
207.05023	1.4
207.13828	7.0
209.11835	3.7
243.02937	1.0
249.06148	10.1
251.13002	0.9
267.07217	33.4
268.07596	1.1
269.13834	2.1
271.02487	3.0
285.04099	1.2
299.02045	2.4
300.02777	2.7
300.06174	0.7
301.03528	3.0
314.04398	2.0
315.05081	2.9
315.08774	3.0
343.17657	3.5
357.13467	10.6
357.26358	2.9
358.13541	1.4
457.20883	1.6
459.05740	1.2
459.18771	2.4
501.20132	4.1
502.20084	1.0
519.20837	100.0
519.31500	10.3
520.21259	11.6
520.32300	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.5
56.46925	0.8
57.03326	3.8
57.03563	0.6
58.00448	1.2
59.01254	37.7
68.99692	1.0
69.03333	0.9
69.45213	6.6
71.01256	26.0
72.99188	4.5
73.02814	2.5
75.00749	11.9
82.64526	0.7
83.01266	6.4
83.04863	0.7
85.02827	23.1
87.00748	7.3
89.02330	6.4
95.01258	4.1
97.02845	1.0
97.89621	0.7
99.00761	10.3
99.04387	1.2
101.02319	5.8
103.00241	1.4
108.82619	0.6
109.02863	1.5
109.06462	1.2
111.00748	1.8
113.02336	27.8
114.02599	0.9
115.00239	1.2
117.01824	1.3
118.04213	0.8
119.03347	1.3
121.02895	0.9
123.04416	0.7
125.02335	2.3
129.01816	2.8
137.05977	0.9
148.01591	0.8
149.02345	2.1
151.00345	1.6
155.27258	0.7
157.01379	1.0
161.02339	0.8
161.04468	1.8
165.12680	1.9
175.02393	1.4
179.56920	0.7
189.12715	0.9
191.01831	1.5
207.05023	1.4
207.13828	7.0
209.11835	3.7
243.02937	1.0
249.06148	10.1
251.13002	0.9
267.07217	33.4
268.07596	1.1
269.13834	2.1
271.02487	3.0
285.04099	1.2
299.02045	2.4
300.02777	2.7
300.06174	0.7
301.03528	3.0
314.04398	2.0
315.05081	2.9
315.08774	3.0
343.17657	3.5
357.13467	10.6
357.26358	2.9
358.13541	1.4
457.20883	1.6
459.05740	1.2
459.18771	2.4
501.20132	4.1
502.20084	1.0
519.20837	100.0
519.31500	10.3
520.21259	11.6
520.32300	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	54.8
62.41496	0.6
71.01234	0.7
80.02527	1.2
84.12714	0.5
98.20015	2.8
107.01268	7.6
108.02061	8.3
121.02827	1.2
123.00775	2.1
123.04393	0.7
136.01559	21.6
137.02399	1.3
149.02391	2.8
159.48441	0.6
186.08498	0.6
239.33218	0.7
255.10248	100.0
256.10590	8.2
272.72382	0.7
315.08673	1.0
373.76727	0.6
398.42993	0.6
519.31421	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1872
Annotation	(-)-Pinoresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01247	13.3
67.52522	1.3
70.84524	3.8
71.01252	11.1
73.02809	1.7
85.02839	1.8
89.02310	6.7
93.03328	1.7
101.02340	4.2
105.66991	1.1
108.02079	2.4
108.86362	1.1
113.02357	3.8
114.87532	1.2
115.71079	1.2
119.03394	2.5
121.02855	4.9
122.03673	2.9
125.02349	2.7
126.62663	1.2
134.03670	1.5
136.01559	74.6
137.02231	4.0
137.94691	1.2
145.06473	1.4
149.02365	2.6
149.04477	1.2
149.05911	1.7
151.03917	100.0
152.04260	4.3
164.01021	1.3
175.07693	1.3
177.05540	1.4
179.03369	1.5
271.06082	3.5
342.11115	2.8
357.13416	76.3
358.13770	10.5
386.55908	1.3
404.13934	1.5
467.46875	1.3
475.11600	1.4
519.17212	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	519.1868
Annotation	Matairesinoside
Peak:m/z	Relative Intensity
55.01758	1.6
59.01257	1.7
69.79185	1.0
69.79591	0.9
71.01256	1.0
82.95296	0.6
83.01257	57.2
84.01585	0.7
85.02810	0.7
87.24815	0.3
89.02321	0.5
93.03355	0.4
109.02829	0.6
113.02289	0.3
114.86494	0.3
121.02839	6.6
122.03629	12.3
123.04440	4.0
125.02334	0.9
135.04402	0.5
136.01555	0.6
136.05226	3.0
137.02315	1.0
137.05981	9.3
147.04428	3.9
149.06000	0.6
154.02647	0.6
159.04420	0.4
161.02344	0.4
161.06021	2.4
162.06767	1.3
167.03412	0.6
168.04207	0.6
175.03946	0.4
175.07423	0.4
205.05028	0.6
206.05797	0.6
209.08194	2.6
221.08130	3.9
273.07617	0.7
283.09924	0.4
298.12137	1.4
313.14429	1.5
342.11047	5.8
343.11383	0.6
357.13419	100.0
358.13751	10.4
373.15021	0.3
403.75146	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01596	1.6
71.01274	0.5
71.57584	0.6
73.42319	0.4
78.95823	0.5
93.34288	0.4
111.05843	0.3
123.98846	0.4
129.69150	0.4
181.06482	0.9
182.96194	0.4
197.05994	2.6
202.38849	0.4
209.06035	0.5
224.04858	0.5
225.05493	0.8
239.07172	3.6
240.07881	9.2
241.08478	1.8
255.10255	39.5
256.10553	3.2
273.41058	0.5
519.32300	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15355	0.1
59.01255	1.0
69.32973	0.4
69.33376	1.5
71.01237	0.4
75.00706	0.2
85.02781	0.2
89.02280	0.2
95.01247	0.3
98.20048	0.6
98.47393	0.2
113.02318	0.2
121.02848	2.4
123.00762	1.2
123.04401	0.2
124.01564	2.4
125.02342	8.3
126.02651	0.3
129.44969	0.2
134.03600	0.2
135.04427	3.8
136.01555	0.2
136.05173	0.5
137.02333	0.4
144.91463	0.2
145.02834	0.3
146.03596	0.5
147.04425	0.3
148.01558	1.1
149.02354	6.6
149.05949	1.0
150.02795	0.2
151.03856	0.2
161.02376	0.4
161.05977	0.6
162.02960	0.2
163.02542	0.3
163.03922	5.6
164.04709	6.2
165.04922	0.3
177.05438	0.3
186.06827	0.2
194.61176	0.2
197.05962	0.6
199.03934	0.2
200.04797	0.2
202.82889	0.2
209.06003	0.6
213.05551	0.3
214.06346	0.8
224.04700	0.3
225.05486	0.8
226.06380	0.9
227.03586	0.3
229.08574	1.1
237.05450	0.3
238.06310	0.5
239.07013	0.3
241.05003	0.9
242.05913	1.0
252.04367	0.4
253.05025	3.4
254.05835	2.8
255.02980	1.0
255.06189	0.3
256.81781	0.2
257.08063	0.3
267.06665	0.6
268.04330	0.1
268.07462	0.8
269.08185	30.7
270.05338	12.7
270.08487	2.7
271.05734	1.0
273.53583	0.2
283.06271	0.3
283.09796	0.5
285.07684	34.6
286.08041	3.3
300.10034	17.4
301.10364	1.6
315.12387	100.0
316.12689	10.3
316.18146	0.2
373.48419	0.2
455.69821	0.2
459.16888	0.2
519.31891	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	2.0
60.78872	0.2
64.61588	0.2
69.33043	2.3
69.33448	0.3
71.01256	0.6
75.11355	0.3
89.02322	0.3
92.98048	0.2
95.01236	0.3
98.19784	0.5
101.02316	0.4
104.02235	0.3
121.02843	1.9
123.00793	1.2
124.01566	2.4
125.02338	7.8
126.02713	0.3
135.04428	3.7
136.05119	0.4
139.00310	0.3
146.03656	0.4
148.01660	1.2
149.02354	6.8
149.05980	1.1
150.02740	0.3
161.02295	0.6
161.05969	0.5
163.02663	0.5
163.03918	4.9
164.04698	4.3
186.06757	0.4
195.06543	0.7
195.08325	0.2
197.05980	0.6
202.06273	0.4
205.12346	0.3
209.06000	0.7
214.06259	0.6
223.13344	3.5
224.04764	0.5
224.13622	0.4
225.05479	0.9
226.06313	0.7
229.08624	0.9
237.30739	0.2
238.06299	0.7
241.05019	0.7
242.05789	1.1
252.04315	0.8
253.05103	3.3
253.09323	0.6
254.05809	2.5
255.02968	1.1
255.06435	0.4
257.08127	0.4
267.06647	0.4
268.03973	0.3
268.07318	0.8
269.04929	0.8
269.08170	23.4
270.05380	12.2
270.08450	1.9
271.05676	1.2
283.06348	0.3
283.09918	0.4
285.07681	27.2
286.08038	2.2
300.10034	14.1
300.13489	0.6
301.10345	1.0
302.25269	0.3
315.12387	100.0
316.12686	9.7
361.94250	0.3
459.16553	1.4
519.19348	0.3
519.31647	1.0
527.48718	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99805	1.0
55.01748	1.1
55.81746	0.9
59.01244	3.9
60.34579	0.9
69.60403	4.5
69.60826	3.4
71.01238	1.6
71.90990	1.1
83.01256	46.6
90.40042	1.2
93.03294	1.4
101.08263	1.2
109.02853	1.4
109.99035	1.2
121.02835	6.6
122.03642	9.4
123.04408	4.5
124.67531	1.1
125.02325	1.6
129.02954	1.2
135.04326	1.6
136.05164	2.6
137.05983	8.2
138.17834	1.0
147.04420	3.4
161.05908	1.5
162.06789	1.2
209.08098	2.5
221.08115	3.8
305.76184	1.3
313.14389	2.5
342.10922	4.6
357.13422	100.0
358.13754	11.1
519.20404	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	13.9
59.06748	2.5
69.03345	3.7
69.36876	27.1
71.01260	14.4
72.99173	8.9
73.02825	5.9
75.00752	6.8
81.03320	4.8
83.01243	6.3
85.02821	11.2
87.00739	17.0
89.02313	8.8
93.03330	5.5
95.01242	4.7
95.04909	6.3
96.40295	2.3
97.02849	3.7
99.00742	8.7
101.02328	3.1
103.00230	2.9
105.33511	2.5
107.04902	3.2
109.02818	9.6
111.00764	3.8
111.04375	2.5
113.02299	6.9
121.02850	5.1
123.04371	7.3
125.02322	9.1
125.05962	15.8
134.03656	13.3
135.04437	3.5
137.02328	7.9
139.03882	4.6
143.96506	2.5
145.02736	2.5
145.31467	2.6
146.03650	3.1
148.99678	4.4
149.00830	72.1
149.02119	4.2
149.05971	3.1
151.03877	8.9
153.01826	3.1
159.04344	3.8
160.05241	3.3
161.02365	4.1
163.03853	4.0
165.09067	8.8
167.03386	7.6
169.01294	2.9
173.05914	4.1
173.50252	2.8
177.01828	3.7
179.03360	3.7
181.04933	3.2
181.08653	6.0
191.10736	2.8
193.04987	7.1
193.08502	3.0
195.02904	2.7
202.48087	2.7
205.01285	2.7
207.10236	3.0
209.08130	15.2
217.01338	3.3
219.06537	4.2
219.10254	7.6
219.22824	2.8
221.08066	12.4
223.09642	3.5
233.08153	5.0
234.08769	3.1
235.09688	16.2
247.09712	7.1
248.06841	5.4
249.07605	13.0
251.09219	17.5
261.07684	3.2
263.09283	30.1
269.08069	4.1
271.08542	2.5
275.09351	5.5
277.10712	3.0
279.08661	15.8
281.10492	12.3
284.10425	3.0
285.04016	3.6
291.08737	74.1
292.08954	5.5
293.10199	13.3
295.06024	3.6
299.12891	4.3
303.08759	4.1
305.10541	3.2
309.09821	75.3
310.09998	3.2
315.08823	6.5
321.09790	45.0
322.10013	3.5
323.11322	3.3
328.09549	3.4
333.09619	3.9
339.10873	19.4
343.06528	3.6
343.11816	8.0
345.10046	3.3
351.10287	2.5
374.63806	2.7
381.11765	10.6
387.10849	93.4
388.11090	7.2
393.12234	2.9
399.12912	42.6
411.13025	21.6
429.08438	4.6
429.14032	67.8
430.14355	6.6
501.15909	13.3
519.17084	100.0
519.23889	5.2
520.17529	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	519.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	13.9
59.06748	2.5
69.03345	3.7
69.36876	27.1
71.01260	14.4
72.99173	8.9
73.02825	5.9
75.00752	6.8
81.03320	4.8
83.01243	6.3
85.02821	11.2
87.00739	17.0
89.02313	8.8
93.03330	5.5
95.01242	4.7
95.04909	6.3
96.40295	2.3
97.02849	3.7
99.00742	8.7
101.02328	3.1
103.00230	2.9
105.33511	2.5
107.04902	3.2
109.02818	9.6
111.00764	3.8
111.04375	2.5
113.02299	6.9
121.02850	5.1
123.04371	7.3
125.02322	9.1
125.05962	15.8
134.03656	13.3
135.04437	3.5
137.02328	7.9
139.03882	4.6
143.96506	2.5
145.02736	2.5
145.31467	2.6
146.03650	3.1
148.99678	4.4
149.00830	72.1
149.02119	4.2
149.05971	3.1
151.03877	8.9
153.01826	3.1
159.04344	3.8
160.05241	3.3
161.02365	4.1
163.03853	4.0
165.09067	8.8
167.03386	7.6
169.01294	2.9
173.05914	4.1
173.50252	2.8
177.01828	3.7
179.03360	3.7
181.04933	3.2
181.08653	6.0
191.10736	2.8
193.04987	7.1
193.08502	3.0
195.02904	2.7
202.48087	2.7
205.01285	2.7
207.10236	3.0
209.08130	15.2
217.01338	3.3
219.06537	4.2
219.10254	7.6
219.22824	2.8
221.08066	12.4
223.09642	3.5
233.08153	5.0
234.08769	3.1
235.09688	16.2
247.09712	7.1
248.06841	5.4
249.07605	13.0
251.09219	17.5
261.07684	3.2
263.09283	30.1
269.08069	4.1
271.08542	2.5
275.09351	5.5
277.10712	3.0
279.08661	15.8
281.10492	12.3
284.10425	3.0
285.04016	3.6
291.08737	74.1
292.08954	5.5
293.10199	13.3
295.06024	3.6
299.12891	4.3
303.08759	4.1
305.10541	3.2
309.09821	75.3
310.09998	3.2
315.08823	6.5
321.09790	45.0
322.10013	3.5
323.11322	3.3
328.09549	3.4
333.09619	3.9
339.10873	19.4
343.06528	3.6
343.11816	8.0
345.10046	3.3
351.10287	2.5
374.63806	2.7
381.11765	10.6
387.10849	93.4
388.11090	7.2
393.12234	2.9
399.12912	42.6
411.13025	21.6
429.08438	4.6
429.14032	67.8
430.14355	6.6
501.15909	13.3
519.17084	100.0
519.23889	5.2
520.17529	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	519.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21925	0.8
55.01741	1.2
56.51513	0.8
57.03324	5.8
59.01248	10.1
65.44422	1.0
69.03297	1.4
70.97214	2.6
71.01258	16.5
72.99178	3.4
73.02824	2.3
75.00744	14.6
83.01244	2.1
85.02828	30.6
87.00753	7.7
89.02325	3.9
95.01253	2.3
96.95893	1.4
97.02830	3.0
99.00752	6.7
101.02328	4.5
111.00793	1.4
113.02324	16.0
115.00259	1.8
119.04902	2.0
122.03593	1.9
125.02312	1.4
129.01807	2.0
134.03624	1.0
147.02847	2.4
157.01344	2.3
161.06039	0.9
163.07561	4.4
175.02390	3.4
181.08630	35.3
191.01874	4.4
209.03055	1.5
223.09773	1.2
237.07564	0.9
276.88599	1.0
325.13022	3.2
327.08813	1.1
343.13980	23.5
344.14246	1.3
346.61328	1.1
387.10870	3.8
457.17056	3.2
501.16153	3.8
505.60159	1.0
519.17181	100.0
520.17578	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	519.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	3.2
57.03320	11.8
59.01259	51.6
61.98716	3.0
65.64626	2.1
69.03337	3.7
71.01262	46.3
71.60294	2.2
72.99184	7.2
73.02824	13.2
75.00753	12.5
83.01259	5.1
83.29965	2.1
85.02835	53.9
87.00758	8.3
89.02313	13.7
89.56595	2.2
91.01779	8.9
93.03336	2.5
95.01277	8.4
96.95892	2.6
97.02846	5.9
99.00777	22.7
101.02335	16.5
101.05931	2.4
103.00272	2.2
107.01236	5.2
108.02016	2.8
109.02823	5.9
111.00777	12.4
113.02312	21.7
114.81030	2.5
119.03447	3.1
119.04885	2.0
121.02839	5.6
123.00777	16.8
125.02364	13.6
128.03459	2.3
129.01852	3.6
133.02927	2.2
135.00775	12.3
135.04459	2.9
137.02377	5.1
139.00252	9.7
140.01009	10.4
141.01845	60.3
143.04425	2.2
145.02832	2.4
147.02896	4.4
148.01494	3.7
149.02374	15.0
151.00255	9.7
153.01846	13.1
161.02368	6.4
161.04445	2.6
161.05986	3.3
163.00310	2.2
163.03966	3.5
163.07581	3.9
165.01846	7.0
166.99632	2.9
167.03445	4.3
168.00577	11.3
169.01303	3.6
179.05753	2.8
179.07065	16.0
180.00526	2.9
184.90565	2.2
191.01868	12.3
191.03409	3.3
195.06723	10.6
195.08073	2.1
196.06862	2.5
199.03973	3.2
207.06557	15.8
209.15369	2.5
223.06091	5.0
224.06839	27.3
225.05415	4.1
225.07649	84.0
226.07967	3.2
227.03423	4.8
242.02124	3.8
243.02917	16.6
249.07719	4.6
255.02910	6.0
257.04562	4.5
262.31769	2.5
267.02975	2.9
269.04373	3.1
269.17395	3.2
270.01709	2.4
271.02466	20.0
272.03058	2.7
285.04056	33.2
286.04559	3.0
289.12225	2.4
299.02017	29.8
300.02737	53.2
300.06387	20.0
301.03262	5.6
314.04312	24.1
315.05069	61.5
315.08749	100.0
316.05487	5.2
316.09113	6.3
357.26633	5.3
358.12552	3.3
417.10776	2.4
435.11438	22.5
519.10968	12.0
519.16840	38.5
519.31244	22.5
520.17749	6.3
535.84839	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	519.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51484	0.7
59.01237	3.3
59.20154	0.7
60.57036	0.8
69.03339	0.9
74.32329	0.8
79.80532	0.7
81.03320	4.8
83.01246	2.9
85.06460	1.1
87.04382	3.9
87.51124	0.8
89.02316	1.1
93.03321	1.0
95.01254	1.4
95.04893	6.3
97.02814	2.7
98.20546	2.6
99.00766	0.8
99.04389	1.0
107.01309	1.5
109.02831	1.4
109.06453	3.6
111.04404	7.2
119.04948	1.2
121.02831	1.3
123.04388	4.4
125.02337	21.7
127.07535	1.3
135.02786	0.8
137.02367	2.4
139.03903	1.6
141.14246	0.7
147.08040	0.9
148.01663	1.0
149.02380	2.6
150.06754	2.0
151.00261	3.1
151.03937	1.3
151.07549	4.5
153.05492	2.3
161.06000	1.0
163.03848	0.8
165.09125	9.2
166.02658	1.4
167.02107	1.3
167.03413	15.9
167.07057	1.1
169.08591	2.2
169.29260	0.8
175.00311	0.9
175.07576	1.2
177.01862	2.7
178.99721	1.5
180.48094	0.8
191.03442	1.4
191.07022	1.8
193.08606	3.8
195.06593	6.9
201.05569	1.0
203.31648	0.8
204.02942	1.1
207.06560	6.6
208.07312	2.6
209.08040	1.8
215.03314	0.8
215.07014	1.2
219.06516	5.1
221.08075	1.1
229.44875	0.9
233.08258	4.0
235.06075	1.2
236.06578	1.0
237.07646	100.0
238.07993	4.9
249.07642	1.8
255.02843	0.8
261.07666	22.4
262.07983	1.4
267.08698	4.2
271.02420	2.6
271.06027	2.6
279.08798	3.5
291.08740	1.9
299.01913	2.8
300.99222	0.8
315.12448	0.9
316.01984	1.5
317.02841	1.9
322.03595	0.8
339.03854	1.5
339.10782	1.9
340.04474	2.1
357.11884	0.9
384.09283	1.2
399.12924	94.4
400.13351	5.9
429.13773	2.9
502.09833	1.7
519.17004	4.7
519.24176	1.1
520.10828	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	519.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	22.0
60.01591	0.3
71.01263	0.5
71.57491	0.1
73.02831	0.2
75.00746	0.2
83.01260	0.2
85.02819	0.2
89.02323	0.5
93.16537	0.1
98.72017	0.1
100.13481	0.1
101.02294	0.3
107.01323	0.1
109.02885	0.2
113.02320	0.4
115.51774	0.1
125.02367	0.2
132.02112	0.1
155.04939	0.2
158.04837	0.1
161.04420	0.1
167.05026	0.1
183.04437	0.5
195.04422	3.3
196.04796	0.2
210.06801	0.4
211.03952	2.3
212.04391	0.2
223.03934	1.1
225.05466	0.5
226.06033	0.1
236.94493	0.1
238.02655	0.2
239.03453	20.9
240.03784	1.4
241.08711	0.2
253.05023	0.4
254.05817	14.9
255.06160	1.4
266.02167	0.3
267.02960	5.6
268.03381	0.4
271.06305	0.1
281.04700	0.6
282.05316	68.3
283.03046	0.1
283.05652	5.7
297.07654	100.0
298.07996	8.9
307.05908	0.2
315.08517	0.2
371.58054	0.1
519.32123	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	2.3
57.03313	7.4
59.01254	46.1
68.99706	1.9
69.03346	2.0
70.15839	6.9
71.01253	25.6
72.99186	6.8
73.02820	3.2
75.00745	12.9
81.03329	2.4
83.01269	2.6
83.04904	1.6
85.02828	26.1
87.00764	6.4
88.98660	1.7
89.02324	9.1
93.03357	1.9
95.01261	10.7
95.04847	1.7
97.02835	3.4
97.49454	1.5
99.00767	30.5
99.04404	2.4
101.02339	3.6
101.05966	3.5
107.01286	3.4
107.04948	1.7
108.02060	1.7
109.02847	2.1
109.06492	2.2
111.00764	8.7
111.08044	2.0
113.02332	24.8
114.02680	1.7
114.99383	1.7
115.00233	3.1
117.01839	2.2
119.08521	2.1
121.02908	2.2
123.00759	13.5
123.04394	2.0
124.01581	3.6
125.02353	9.0
125.05968	2.5
129.01811	1.9
133.02795	1.8
135.00771	2.3
135.08075	2.0
136.01576	1.8
137.02318	2.4
139.00255	11.1
140.01077	9.9
141.01842	64.4
145.02902	2.7
149.02426	3.0
149.04466	1.8
151.00308	8.2
151.03931	2.9
155.04938	2.0
157.01297	2.2
159.04428	1.8
161.02399	1.7
163.00290	2.5
163.07581	4.8
165.01860	6.7
165.12785	7.6
166.99767	1.9
168.00558	14.5
169.01392	8.4
169.02763	2.1
175.02402	2.1
177.01811	1.8
177.05550	1.7
179.07045	19.3
181.08572	2.9
182.03624	1.7
183.04518	3.8
183.06467	3.9
191.01898	2.7
195.06560	4.2
199.03889	10.6
203.03395	2.3
205.04836	2.4
205.08582	2.3
207.06606	19.2
207.13820	4.4
209.11780	7.6
211.02454	6.8
215.03421	4.9
223.06033	6.2
224.06845	37.6
225.07660	100.0
226.08000	4.6
227.03375	9.1
231.05276	1.8
241.39938	1.9
242.02173	2.2
243.02986	43.3
244.03400	5.0
249.05692	10.7
251.22548	1.7
254.02167	2.1
255.02995	23.7
256.03525	2.1
257.04532	6.6
267.07050	12.9
269.13959	4.5
270.01703	5.2
271.02380	55.8
271.04608	6.0
272.02979	6.3
279.08939	2.1
285.03845	7.7
286.04785	2.8
287.05591	1.7
299.01971	90.2
300.02692	36.0
301.03214	3.8
312.89603	1.9
313.05988	3.6
314.04318	64.6
315.05133	93.7
315.08667	7.2
316.05472	7.2
331.06631	2.2
343.17648	6.6
357.13489	3.5
417.10550	3.0
435.11493	12.4
457.20508	2.3
459.18692	6.8
501.19763	6.6
519.11102	32.1
519.20435	99.1
520.11511	7.2
520.22052	10.5
524.98157	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	20.7
70.08234	1.4
71.01276	0.4
72.40697	0.3
86.14036	0.3
87.62638	0.3
96.88861	0.3
147.27777	0.3
158.81102	0.3
162.08121	0.4
166.32861	0.4
183.04503	0.5
195.04437	3.4
210.06767	0.6
211.03969	3.2
223.03949	0.7
227.01553	0.4
239.03462	20.9
240.03780	1.5
253.05009	0.4
254.05858	15.0
255.06209	1.2
267.02963	5.1
268.03354	0.7
270.89258	0.4
281.04572	1.0
282.05334	62.5
283.05688	5.6
297.07672	100.0
298.08002	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	519.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	1.0
59.01253	6.1
60.53105	0.4
65.00225	0.5
68.99692	0.4
69.32984	1.9
69.33408	1.9
71.01256	4.4
72.01617	0.5
72.99213	1.1
73.02849	0.6
75.00742	2.1
83.01286	0.8
85.02825	5.5
85.03262	0.4
86.08565	0.3
87.00805	1.4
89.02305	1.7
93.03336	0.8
95.01316	1.1
96.95924	0.6
99.00803	1.2
101.02335	1.0
103.00240	0.4
104.28711	0.4
107.01286	1.0
108.02061	0.8
109.02878	1.2
111.00808	0.6
113.02338	3.9
114.02685	0.6
114.68307	0.4
121.01976	0.8
121.02852	16.9
123.00807	1.7
123.04420	0.5
124.01606	0.9
125.02342	2.2
129.01904	0.5
133.02907	1.6
134.03616	0.5
135.04417	1.7
136.01596	0.8
137.02408	1.0
138.03180	1.2
139.00359	0.5
141.07040	0.4
143.04939	0.6
145.02876	0.4
148.01613	1.1
149.02357	1.4
150.03160	1.7
151.00328	1.7
153.05498	0.4
157.06543	1.2
161.02359	4.1
163.00327	1.8
163.03983	0.5
164.01044	0.7
165.05507	0.4
167.03575	0.5
167.04948	0.6
168.00554	1.0
169.01370	2.4
169.06544	1.0
173.06062	0.5
175.03909	0.7
177.01799	0.3
178.02634	2.1
183.04451	0.7
185.06015	1.9
187.03893	0.5
189.05466	0.8
191.01886	0.9
191.03496	0.5
193.05025	1.0
195.04477	1.1
196.05151	0.5
197.06012	1.0
199.03868	0.6
201.01978	0.4
201.05525	1.6
203.03349	0.7
211.02269	2.7
211.04155	1.9
212.04677	0.7
213.05522	6.2
214.02570	0.5
214.05878	0.5
215.03436	1.1
225.05501	0.5
225.07535	0.6
227.03525	1.0
228.04265	0.5
229.05026	2.9
230.02289	0.5
230.05443	0.4
231.02907	0.8
239.03429	2.8
240.04340	2.9
241.05052	5.1
243.02928	0.9
244.03680	0.4
249.06177	1.0
251.06621	0.6
254.05861	0.7
255.03026	2.5
255.06543	1.1
256.03705	3.9
257.04541	51.3
258.04874	3.7
267.02997	0.8
267.07217	3.4
268.03836	0.4
268.07532	1.8
269.04517	1.8
269.07736	2.2
270.05301	1.0
271.01999	3.0
271.04501	3.5
272.06903	40.2
273.07199	3.6
281.04700	0.4
282.05359	1.7
284.03186	1.5
285.04016	3.1
285.07599	2.1
286.04254	0.4
286.08337	0.5
287.02075	1.3
287.09265	19.3
288.09543	1.2
297.00470	0.6
297.07745	0.5
299.01956	4.8
299.05548	2.0
300.02716	8.9
300.06357	5.1
301.03278	1.1
301.06525	0.7
314.04263	1.1
314.07681	0.4
315.05200	9.1
315.08719	100.0
316.05469	0.9
316.09055	8.6
329.10385	0.4
331.06436	0.6
339.08627	0.8
356.95233	0.4
357.09814	2.1
477.14297	0.4
518.19562	1.1
519.12036	2.5
519.19702	6.9
519.31390	0.9
520.11401	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.2
61.32806	0.3
78.95775	44.1
79.66045	0.4
96.79814	0.3
96.96835	5.6
150.97919	1.5
152.99489	100.0
153.99860	1.2
171.00531	3.6
185.02245	0.4
224.71706	0.3
246.44588	0.3
277.21793	1.2
278.21902	0.4
333.24338	3.9
351.25418	1.0
376.97845	0.5
390.99341	4.8
423.98923	0.6
431.22000	18.6
432.22220	2.0
518.25299	2.4
519.14832	8.0
519.26660	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	4.0
59.01244	20.3
65.00179	2.3
66.91505	1.9
70.79559	2.1
71.01260	13.8
72.99191	2.7
75.00742	4.5
83.01260	2.9
85.02837	15.4
89.02336	4.6
95.01240	2.5
101.02313	5.2
105.97443	1.9
107.01250	7.6
109.02859	11.4
111.00757	2.4
113.02328	8.9
121.02857	2.9
123.00777	4.0
125.02333	6.9
129.01855	2.3
149.02361	4.6
151.00308	16.2
151.03915	4.1
151.07480	2.4
153.01854	2.9
159.04443	3.0
161.02313	3.0
161.04446	3.5
163.00328	2.6
169.01346	4.9
170.01646	2.2
171.04443	2.7
178.99776	6.8
184.30652	2.1
195.06555	17.9
197.20401	2.1
199.03999	10.0
201.01732	3.6
202.02579	2.9
203.03479	3.7
215.03450	7.9
219.06573	3.7
226.02568	2.8
227.03432	9.9
237.07652	3.5
242.02147	8.4
243.02969	51.8
244.03349	4.5
255.02988	17.4
257.04492	8.8
267.07297	2.7
270.01617	9.2
271.02463	61.7
272.02911	5.7
285.04077	26.7
286.04675	6.3
299.01971	72.5
299.05252	3.2
300.02682	37.5
300.06049	4.5
301.03470	29.5
302.03839	3.0
314.04306	73.6
315.05151	85.7
315.08746	18.0
316.05353	5.3
343.04297	2.5
399.09134	2.3
459.09610	5.4
475.11346	7.5
519.11395	100.0
519.19763	9.1
519.31738	8.7
520.11615	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	519.1143
Annotation	6-Methoxykaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
59.01242	4.9
65.00197	1.6
71.01265	1.9
71.13324	1.3
83.01286	0.7
84.21447	0.6
85.02853	1.1
89.02324	1.1
90.59489	0.7
101.02333	2.0
107.01269	1.9
108.02132	0.7
113.02337	1.1
116.80515	0.8
119.03431	0.6
124.01527	0.7
125.02381	0.9
128.03423	1.7
135.00859	0.7
136.01591	1.5
143.04803	0.9
144.83405	0.7
145.02831	0.9
151.00259	5.7
151.03925	2.3
155.04904	0.8
159.04398	0.7
161.02390	0.7
163.00276	0.8
164.75180	0.6
167.07155	0.8
169.01457	0.8
171.04413	1.8
183.04445	2.7
187.03912	1.6
199.03951	8.5
201.01884	1.6
203.03448	0.9
211.03943	1.0
215.03406	4.0
226.02657	1.3
227.03427	8.2
228.04048	0.8
229.01486	0.9
242.02238	5.2
243.02948	34.4
244.03362	3.5
255.02974	17.7
256.03448	1.6
257.04639	5.3
264.72806	0.7
270.01682	3.6
271.02472	51.0
272.02847	5.0
285.04037	10.6
286.04730	2.1
287.05521	1.8
299.01953	67.6
300.02728	28.7
300.06125	1.4
301.03256	1.6
314.04309	58.2
315.05093	100.0
315.12643	2.6
316.05423	7.6
357.06177	0.7
357.13544	1.5
432.23312	0.8
439.90979	0.7
519.11414	61.6
520.11688	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	518.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10654	2.2
59.01252	17.9
69.10880	2.5
71.01259	47.4
71.60288	3.6
72.99174	3.6
75.00735	6.9
75.15396	2.5
83.01292	2.8
84.04407	3.4
85.02818	12.1
87.00742	3.7
88.03889	3.8
89.02297	8.0
99.00741	3.0
101.02321	3.7
108.02054	3.5
110.02351	3.6
113.02316	7.8
114.01855	49.5
114.99464	3.5
115.00255	39.9
119.95217	2.1
121.02806	8.1
121.79406	2.3
123.04333	3.5
125.02333	4.5
132.02945	4.6
133.02783	3.4
134.02655	4.4
134.03635	88.4
135.04364	4.6
136.01555	26.7
137.02335	5.2
138.01828	2.3
149.02336	4.4
149.05986	80.7
150.06317	3.9
151.00262	3.2
151.03922	40.8
160.01569	6.6
161.02362	2.6
161.05844	3.8
175.03862	7.2
176.03459	22.4
177.04240	50.3
177.07594	3.0
178.02634	4.3
178.04811	5.9
187.06297	3.6
191.01962	3.1
192.06601	45.9
193.05020	46.4
204.06604	4.5
204.08345	2.4
205.07336	8.0
207.06557	2.9
220.09692	8.2
246.07698	12.6
247.77272	2.7
249.06023	4.0
257.04462	7.5
263.07950	7.2
264.08734	46.1
265.09195	3.5
267.07040	12.4
268.07465	4.5
271.02466	5.9
271.05972	4.3
272.06796	5.2
278.10349	39.9
279.10541	3.5
285.04071	2.6
287.09262	3.3
299.02014	2.5
300.02710	4.1
315.05383	3.0
315.08768	13.8
357.13483	34.9
399.12671	3.4
402.15753	3.0
403.13864	5.8
428.75946	3.4
459.13147	2.7
474.17697	4.4
518.16516	100.0
519.17017	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	518.094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56189	1.2
57.03322	2.5
59.01250	19.4
59.24177	1.4
63.02277	2.5
63.59586	1.5
65.00200	4.0
67.01781	1.3
67.03223	1.6
71.01264	15.5
72.98814	2.7
72.99176	15.0
73.02834	3.7
75.00740	2.5
83.01266	2.6
85.02831	15.6
87.00761	2.0
87.63049	1.4
89.02332	5.9
93.03347	6.2
95.01273	3.2
99.00775	6.7
101.02351	3.8
103.00274	6.5
107.01286	7.6
113.02343	19.4
113.71048	1.5
115.12330	1.8
117.01897	1.7
117.03518	1.6
118.01786	1.7
121.02852	3.3
123.00770	2.6
123.04411	1.4
125.02348	4.7
131.03410	2.7
133.01248	2.1
133.02861	2.2
134.02367	5.7
134.03346	1.4
135.04471	1.7
137.02376	5.7
143.04944	2.2
145.06418	1.5
149.02370	4.2
151.00282	19.3
151.03946	1.9
152.00899	1.5
157.01357	2.7
162.01906	15.3
163.00250	3.1
164.03477	5.0
165.05487	2.4
169.01384	3.0
172.03926	3.1
175.02364	3.2
177.01872	22.1
178.99794	14.0
179.58475	1.4
183.04443	1.7
185.06075	1.8
188.04796	1.5
190.01384	3.1
191.02113	1.6
192.00572	3.5
192.06747	1.4
193.01505	3.8
193.03481	17.9
195.06627	2.9
197.06052	2.5
201.05469	2.4
202.01535	2.0
203.03502	1.6
204.02983	22.7
208.00006	1.7
208.02414	2.4
209.00989	1.6
222.04015	2.9
225.05557	3.7
227.03378	3.4
229.05115	2.4
231.03154	1.7
234.05792	2.3
238.04944	1.6
240.04298	1.9
241.05119	2.8
245.04434	1.9
253.04997	3.2
255.02956	4.5
256.03726	5.7
256.06204	2.3
257.04547	2.7
267.07339	2.1
269.04538	9.1
272.05905	2.7
275.05548	3.0
278.04556	4.7
280.05896	1.7
284.03406	6.2
285.03949	2.4
296.05823	2.3
297.04059	24.7
300.05215	10.8
301.03448	17.5
306.04037	15.7
307.04575	2.6
309.06165	1.8
324.05130	100.0
325.05280	8.8
342.02029	3.1
342.06174	60.1
343.06577	4.3
398.07309	23.9
399.08026	1.7
500.08157	8.7
518.09430	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	517.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.4
57.03326	0.3
58.00463	0.3
59.01251	4.8
64.77496	0.1
71.01255	3.7
71.22263	0.3
72.99189	0.2
73.02818	0.8
83.01266	0.5
85.02818	1.1
87.00743	0.3
89.02322	2.9
91.03899	0.1
95.01274	0.4
97.02815	0.2
101.02322	3.7
101.78744	0.1
103.03925	0.2
113.02326	1.6
119.03417	1.1
143.03374	0.4
159.17422	0.1
161.04488	1.5
168.47789	0.2
179.05545	0.6
235.08246	0.7
253.09270	13.4
254.09608	0.5
281.24850	100.0
282.25195	10.3
332.01578	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	517.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23095	1.1
58.02211	1.1
59.01252	100.0
60.01608	1.7
60.21943	1.1
70.18938	5.5
74.25986	1.4
99.17027	1.4
119.57032	1.2
141.59547	1.4
144.13905	1.3
246.71957	1.2
269.83658	1.3
281.24854	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	517.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	0.2
57.03319	0.2
59.01251	4.6
63.30222	0.2
70.87854	0.4
70.88214	0.3
71.01255	3.3
73.02811	1.0
83.01259	0.5
85.02840	1.0
87.00741	0.7
89.02317	3.1
91.03894	0.2
95.01255	0.3
99.00772	0.3
101.01683	0.3
101.02325	4.1
102.02652	0.2
113.02340	1.8
119.03371	0.9
131.03270	0.2
133.05052	0.3
138.78398	0.2
143.03346	0.3
161.04469	1.6
179.05559	0.4
235.08200	1.1
253.09253	13.4
254.09555	0.7
281.24850	100.0
282.25204	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	517.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	2.8
57.03316	3.0
58.00463	0.8
59.01254	20.2
69.54856	5.4
71.01258	22.2
72.99178	2.0
73.02818	8.3
75.00700	0.8
83.01257	6.7
83.78409	0.6
85.02827	12.2
85.99947	1.1
86.47305	0.6
87.00740	1.5
89.02329	3.1
92.08353	0.6
95.01289	3.0
97.02859	0.9
98.20586	1.3
99.00766	3.8
101.02325	17.3
111.00748	2.4
113.02340	7.1
113.73016	0.6
116.92786	0.6
119.03375	1.0
121.02782	0.7
125.02366	1.5
139.11206	2.5
141.12720	1.3
159.02902	0.8
161.04437	2.9
171.13858	1.5
203.78195	0.7
217.00299	0.8
283.03049	0.6
311.22824	0.7
311.25833	3.9
313.23663	0.7
362.19711	1.0
401.08478	0.9
473.31158	6.7
474.31775	0.8
475.22186	0.9
517.30164	100.0
518.30560	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	517.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	2.5
57.03325	2.8
58.00445	0.6
58.12646	0.5
59.01250	28.0
69.03313	0.7
71.01251	27.6
71.35195	1.0
72.99171	1.4
73.02818	7.9
83.01254	4.6
85.02826	13.3
85.99942	0.6
87.00748	1.4
89.02310	7.7
94.33447	0.5
95.01274	3.0
99.00749	3.2
101.02322	15.6
111.00778	1.4
113.02322	10.7
119.03403	2.4
121.02826	0.7
125.02294	1.0
127.11156	1.3
139.11201	0.5
143.03346	0.7
151.47647	0.6
156.06702	0.5
159.02885	1.6
161.04469	3.6
171.13855	1.5
235.13579	0.6
311.25861	2.7
362.19565	0.7
473.31262	4.4
517.30151	100.0
518.30457	14.3
518.38086	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61478	3.2
57.03311	3.6
59.01255	91.3
61.98705	5.0
67.40318	3.2
71.01260	38.9
71.04895	9.3
71.59703	5.6
72.99168	3.6
73.02808	11.6
83.01252	5.6
83.32297	3.1
85.02824	24.0
87.00768	5.7
89.02305	17.2
101.02329	26.3
111.00742	4.9
113.02327	13.3
117.81666	3.6
119.03399	7.9
125.02319	9.2
128.51677	3.9
137.02338	6.6
142.35077	3.6
143.03381	4.6
161.02333	4.6
161.04482	4.4
165.01781	7.5
199.13519	3.6
209.04558	5.2
245.13338	3.5
303.08517	6.4
333.09839	6.0
337.23767	4.9
355.11826	13.6
355.24765	11.7
367.12158	3.4
397.13025	33.2
427.13818	6.3
457.27686	4.8
475.29242	3.8
500.07086	3.9
500.96136	3.5
517.22290	12.9
517.30078	100.0
518.30127	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	517.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	0.9
57.03325	39.2
58.60869	0.7
59.01251	100.0
60.01575	1.7
65.45828	0.8
71.01255	14.8
71.57562	1.5
72.99186	1.2
73.02821	6.2
77.52637	0.9
79.17811	0.8
81.03312	1.1
83.01250	3.5
83.05439	0.8
85.02824	6.2
89.02322	6.5
92.24454	0.9
95.01259	2.0
99.00745	1.4
99.04394	35.1
101.02319	18.0
109.04809	0.8
110.17550	0.8
111.00761	1.7
113.02325	6.2
115.91951	1.4
116.92742	3.6
119.03374	2.7
125.02338	19.7
143.03409	1.2
161.02386	1.2
161.04478	3.4
169.01378	1.5
179.05498	1.2
211.03947	1.3
224.49121	0.9
226.06421	1.4
264.04037	0.9
269.04547	1.0
279.04706	1.1
313.07263	4.8
373.18237	0.9
373.22415	10.2
374.22513	1.2
415.23260	3.9
444.47211	1.1
517.09613	1.2
517.26202	5.6
518.27106	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.0
57.03333	4.8
58.00464	1.0
59.01252	30.3
67.01779	0.5
68.99687	1.4
69.03341	1.0
69.25565	4.5
69.25981	1.1
70.28072	0.4
71.01253	24.1
72.99184	4.0
73.02828	1.5
75.00751	14.0
81.03320	0.5
82.60404	0.4
83.01270	1.5
83.04878	1.1
85.02825	28.4
86.03191	0.7
87.00225	0.7
87.00755	10.8
88.30641	0.4
89.02317	6.6
90.42382	0.6
91.03882	1.5
93.03297	0.8
95.01256	6.8
98.19906	1.8
98.20572	1.0
98.53152	0.4
99.00764	10.4
101.02335	2.0
103.00257	3.2
107.04914	0.8
109.02827	0.6
111.00734	1.1
111.04404	0.7
112.01590	0.6
113.02335	34.9
114.02683	0.8
115.00242	2.8
117.01839	2.8
119.03409	0.5
119.04910	0.7
120.05714	0.8
125.02340	7.7
125.05975	0.7
129.01845	3.2
129.81264	0.6
131.03391	0.6
133.10107	0.5
135.04420	0.9
137.02307	0.8
149.02394	0.4
152.01117	0.5
157.01364	1.1
161.02377	2.9
161.09634	3.4
161.13242	2.1
163.03943	0.6
163.11171	0.9
165.01801	0.6
175.02426	2.6
187.11241	2.6
189.09109	1.2
193.05023	1.2
200.81961	0.5
205.07126	0.9
205.12276	3.0
207.05107	2.7
207.10208	1.3
223.13330	1.9
226.17781	0.4
231.05026	0.7
249.03549	0.8
249.06134	16.7
267.07214	80.7
268.07620	3.3
283.02405	0.6
287.05582	0.7
305.06656	1.5
313.07095	1.0
341.15973	2.0
404.95914	0.5
455.19348	1.7
457.17331	3.6
473.20526	0.5
499.18262	2.6
517.19244	100.0
518.19641	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	2.1
57.03318	7.3
59.01254	36.1
69.35764	3.9
69.36191	7.4
71.01255	29.5
72.99187	6.1
73.02811	1.7
75.00748	18.7
75.11890	1.1
83.01279	1.6
83.04910	1.2
85.02827	34.4
87.00748	12.6
89.02320	8.3
91.03886	1.8
95.01286	5.9
98.19847	2.3
99.00770	10.6
101.02319	1.6
103.00279	2.0
113.02334	44.0
114.02677	1.1
115.00247	3.4
117.01868	1.2
129.01834	2.6
157.01259	1.9
161.09651	3.0
161.13264	2.9
175.02399	2.9
187.11238	3.3
189.09129	2.5
191.98477	1.1
207.05035	2.5
223.13504	1.6
231.05069	1.8
249.06134	19.5
267.07214	85.6
268.07535	3.5
341.16034	2.2
389.46619	1.3
455.19110	2.4
457.17062	2.4
467.96884	1.2
468.92130	1.1
499.18259	4.4
517.19250	100.0
518.19580	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	517.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11816	0.7
55.01762	0.8
55.58830	0.6
57.03328	6.9
58.00465	1.0
58.45501	0.6
59.01255	37.9
67.01749	0.8
67.69917	0.7
68.17472	0.7
68.99690	1.5
69.03313	1.4
69.42992	6.5
71.01257	28.3
72.01591	0.7
72.99179	6.0
73.02804	2.1
75.00752	15.4
76.09277	0.7
81.03333	1.2
83.01258	1.8
85.02828	30.5
87.00748	12.7
88.03922	0.8
88.49922	0.7
89.02328	9.2
91.03884	1.0
93.03304	0.8
95.01263	6.0
98.19820	1.4
99.00768	10.2
101.02328	4.3
103.00258	3.2
108.02056	1.4
110.45428	0.7
111.00749	1.2
113.02339	37.6
114.02716	0.8
115.00263	2.8
117.01832	2.7
119.03410	1.8
119.04897	1.3
121.02864	0.8
123.04417	0.8
125.02345	3.9
126.79723	0.6
129.01849	3.3
131.03418	0.8
135.04414	2.9
135.08029	0.7
135.11629	0.7
137.02365	1.5
147.70380	0.8
149.04485	1.1
152.01073	1.9
152.36583	0.7
157.01331	1.1
160.69156	0.7
161.04465	1.2
161.09653	2.3
161.13310	2.0
163.02261	0.6
163.11195	1.3
165.09171	1.3
168.24110	0.6
169.01358	0.6
175.02393	2.7
175.03763	0.8
179.03423	2.7
179.10672	1.0
187.11183	2.3
189.09128	1.2
191.01898	2.1
195.06526	1.6
205.07068	1.0
205.12288	2.6
207.05032	1.3
207.10162	1.6
209.08191	4.9
223.06061	1.9
223.09903	1.1
223.13287	1.6
231.05026	1.3
249.06154	20.2
267.07224	85.6
268.07513	4.8
293.08810	0.8
298.04730	0.8
306.07910	0.8
323.38791	0.9
341.15964	2.1
355.24857	1.1
455.19141	2.2
457.17255	2.0
473.20251	1.2
499.18155	3.0
517.19293	100.0
518.19580	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	517.172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72131	0.2
52.44593	0.2
57.03325	0.8
59.01253	2.6
65.00201	0.6
66.99522	0.2
69.03290	0.3
71.01253	1.0
71.24155	0.4
74.56089	0.3
81.03332	5.6
81.30390	0.3
83.01264	0.8
85.02805	0.3
95.01237	0.2
97.50890	0.3
99.08032	1.8
101.05965	0.7
107.01294	0.5
109.02828	0.4
116.97169	0.3
117.03361	0.8
119.04948	1.5
121.02845	0.8
121.06506	0.3
123.04417	0.3
123.08057	2.7
124.01524	0.5
125.02346	8.8
125.05975	6.5
126.02670	0.3
136.05212	0.6
137.02338	0.5
141.09126	1.0
145.02872	3.4
147.08093	0.8
147.29266	0.3
149.02386	1.3
151.00262	1.1
152.01010	0.5
160.81648	0.2
161.05992	0.4
163.03937	0.6
163.07590	0.3
164.92604	0.2
165.09137	36.8
166.09445	1.6
167.07129	0.4
169.01486	0.3
175.00325	0.7
177.09158	0.3
178.02715	0.3
187.04175	0.3
191.07083	1.3
193.08685	0.9
196.50026	0.3
205.08624	0.8
205.44464	0.3
209.08147	100.0
210.08484	5.1
211.58583	0.3
215.07045	1.0
221.08092	0.6
223.09749	1.7
224.10123	0.3
233.08167	17.2
234.08479	1.2
251.09221	6.2
252.09558	0.5
263.09128	1.5
265.07257	1.0
275.09360	1.6
307.08221	0.8
339.85062	0.3
353.12576	0.3
517.17169	10.9
518.17566	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31756	0.3
55.28928	0.2
57.03317	0.8
59.01247	2.7
61.98698	0.3
65.00197	0.9
67.04470	0.3
69.03313	0.5
71.01250	0.9
71.51138	0.6
81.03330	6.3
83.01256	1.0
85.02867	0.4
93.03328	0.4
95.01289	0.3
95.04936	0.5
99.08054	1.5
101.02335	0.5
101.05949	0.7
107.01255	0.8
113.02318	0.3
117.03352	1.1
118.89994	0.2
119.04937	0.8
123.08054	3.0
124.01523	0.3
125.02333	7.2
125.05975	5.6
127.07539	0.3
136.05151	0.7
137.06026	0.4
141.09096	1.0
143.81509	0.3
145.02866	2.7
147.08075	0.5
149.02402	1.4
151.00249	0.8
152.01071	0.7
157.27519	0.3
161.06012	0.3
163.03923	0.8
165.01691	0.3
165.09123	35.6
166.09409	1.3
175.00307	0.4
179.07037	0.6
191.07108	1.6
193.08653	0.6
205.05028	0.5
205.08652	1.1
208.07315	0.3
209.08136	100.0
210.08467	5.1
215.07051	0.8
221.08163	0.4
223.09744	1.9
233.08156	18.1
234.08528	0.9
251.09230	6.7
263.09351	1.7
265.07190	1.0
275.09320	1.5
276.09451	0.3
281.10327	0.3
307.08133	0.9
335.11234	0.3
504.24036	0.3
517.17145	10.5
517.28998	0.5
518.17773	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43446	1.2
56.46406	1.1
59.01238	2.9
63.56304	1.0
69.63975	8.9
71.01252	2.2
72.00775	20.1
73.02827	1.5
85.02824	3.1
87.00763	1.5
89.03438	100.0
90.03857	1.2
91.81478	1.1
96.95914	1.7
113.02305	1.5
115.00309	1.3
115.01388	6.9
129.99924	1.1
131.08096	1.3
132.04048	57.5
133.04346	1.8
139.21437	1.1
175.02350	2.2
175.04662	18.8
191.05615	1.5
269.96307	1.1
341.11005	2.0
452.33194	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05246	1.5
57.03318	7.1
59.01253	30.6
69.51407	12.0
71.01258	54.8
72.99195	4.2
73.02823	2.2
75.00746	17.4
79.38518	1.6
83.01274	2.9
83.04856	2.1
85.02829	29.1
87.00770	10.8
88.03915	6.7
89.02316	7.2
89.38415	1.4
95.01254	3.8
99.00788	9.0
101.02290	2.7
105.03327	1.6
109.02857	2.2
113.02335	29.9
114.01875	17.4
115.00264	47.1
117.01852	3.1
119.04947	1.9
125.02317	4.6
127.07761	1.8
132.02936	53.1
137.02290	1.8
147.04449	5.3
148.05226	6.4
158.00816	7.5
160.01572	5.3
161.02348	5.6
161.09660	2.6
162.06815	2.5
175.02530	3.5
176.04713	3.9
179.03426	2.5
187.11244	2.5
191.05539	3.2
191.07083	16.1
205.12335	2.3
207.05013	3.1
210.06897	2.3
223.13446	2.3
226.06392	2.5
237.05623	3.1
238.06371	8.5
239.07262	2.4
249.06079	17.4
250.06305	3.3
251.07057	2.5
253.05115	2.7
253.08769	3.2
254.05852	2.7
263.06989	1.6
265.04974	2.8
266.05908	4.7
267.07220	71.8
269.07794	2.4
278.05820	5.9
279.06589	4.7
281.07224	3.2
282.05356	20.7
282.08179	2.3
283.05908	4.0
287.15100	1.4
292.07126	3.8
293.08417	8.5
294.05328	6.3
294.08545	3.8
295.06204	3.0
297.07687	38.1
297.11038	2.2
298.08148	6.4
307.09863	2.8
308.10538	2.6
309.07678	27.9
310.08066	3.1
312.10080	31.1
313.10663	6.3
321.06442	4.0
322.07498	3.2
324.06323	2.0
324.09875	7.6
325.05899	4.1
327.12390	36.3
328.12723	3.2
336.08847	10.2
337.06778	3.0
338.07385	2.8
339.12448	6.2
340.08344	13.4
340.11993	2.8
341.16122	2.6
350.10410	4.4
352.08234	11.5
353.09662	6.4
355.10742	7.2
356.08844	1.8
357.13400	9.7
364.11703	2.2
367.10776	3.1
368.11316	6.9
370.12943	4.4
371.11273	17.5
380.15118	2.0
382.13028	8.8
383.11288	43.6
384.11795	5.1
401.12204	7.9
422.12436	6.4
424.10114	4.6
436.13809	4.4
439.12732	11.9
440.12875	2.0
442.14999	9.2
454.15170	32.4
486.14066	12.0
498.14206	6.3
516.15167	100.0
517.19653	72.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98171	0.7
56.71524	0.6
57.03314	1.2
59.01257	2.9
60.01605	0.5
62.03001	0.5
63.02271	1.7
65.00200	3.2
65.99715	1.0
71.01252	2.5
71.59795	0.8
72.99178	1.9
80.01318	0.7
81.23741	0.5
81.29768	0.5
83.01257	2.9
85.02821	2.1
87.00762	1.1
89.02334	1.0
93.03345	0.8
94.88757	0.6
96.00773	1.0
96.46581	0.6
98.02328	0.6
99.00774	1.2
100.59159	0.6
103.00266	1.1
107.01272	7.2
108.02052	1.6
109.02839	1.4
110.02357	2.4
113.02351	2.6
121.02838	1.3
121.23226	0.6
125.02313	2.9
132.04413	1.1
133.02849	1.2
134.02400	1.0
148.01491	0.8
149.02339	0.6
150.34946	0.6
151.00281	26.8
152.00851	1.2
160.03957	6.4
161.02347	5.0
163.00296	4.1
169.01347	2.7
169.19269	0.6
178.99791	15.6
180.00075	1.0
183.04518	0.9
185.05954	0.7
186.01883	1.3
187.00275	2.1
187.02644	2.0
188.03412	4.2
190.01385	0.8
190.99959	0.7
193.01416	1.3
193.03445	2.0
195.04501	0.6
199.03976	1.3
201.05537	0.8
205.01434	1.6
211.03835	1.2
213.05580	0.9
214.01392	3.8
214.03508	1.8
215.03432	0.9
218.00888	0.7
227.03418	2.6
232.02481	1.3
236.03476	0.9
239.03548	1.2
240.04178	0.8
241.04921	1.9
242.02068	1.2
243.02983	2.6
245.04379	1.1
255.03026	6.3
256.03653	1.2
257.04642	1.9
267.02997	4.2
271.02441	11.1
272.03049	2.0
273.03986	3.7
278.04657	0.8
285.04086	6.3
294.04153	3.3
295.02368	5.7
299.02103	1.5
300.02744	42.3
301.03421	11.9
302.03827	0.6
312.05014	0.9
313.03519	21.1
314.03897	2.4
322.03537	13.1
323.03928	1.1
339.03851	0.8
340.04611	100.0
341.05026	7.9
516.07703	10.6
517.08472	1.4
517.15759	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87425	0.8
55.01749	1.1
57.03318	4.2
58.00452	0.8
59.01253	100.0
60.01591	1.2
61.98707	2.1
66.18301	0.6
69.31799	2.7
69.32229	4.3
71.01254	13.4
71.01615	1.1
71.04905	0.7
72.99191	1.0
73.02821	4.1
75.00734	1.2
83.01273	2.2
83.04930	1.3
85.02826	13.2
87.00778	1.8
87.04401	0.7
88.77426	0.6
89.02325	9.6
95.01303	0.9
98.20587	1.3
99.00760	1.8
99.04423	3.0
101.02325	11.9
105.87337	0.6
111.00777	3.2
113.02341	6.5
119.03403	5.0
119.54683	0.6
123.04427	1.1
125.02351	4.8
127.03952	1.4
129.01830	4.7
137.02368	1.8
143.03427	2.0
145.02885	1.8
161.04462	5.1
165.01834	0.6
169.01326	0.7
177.01974	0.7
179.05606	2.9
205.03488	2.1
205.05206	0.7
209.11833	0.7
254.67357	0.6
300.03107	0.9
303.04999	0.8
339.05130	0.9
354.74826	0.7
355.15546	0.6
397.22641	0.6
424.06097	0.6
437.25488	3.1
455.26447	12.5
456.27045	1.6
485.93243	0.6
497.27536	0.8
515.12555	1.0
515.21234	1.6
515.28455	10.5
516.28979	1.3
538.23285	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3015
Annotation	Ganoderic acid epsilon
Peak:m/z	Relative Intensity
50.73776	0.3
50.84702	0.3
52.93641	0.3
55.70715	0.3
59.01243	0.7
65.03818	0.4
67.01756	3.2
69.31404	0.3
70.34539	1.3
71.01212	0.3
78.95759	0.5
81.03335	2.0
83.04897	3.6
84.02051	0.5
85.02819	1.6
93.03316	0.7
109.02885	0.3
111.04404	1.4
118.14713	0.3
121.02805	0.7
132.46501	0.3
181.10146	0.7
211.07532	1.2
213.09093	1.5
225.09160	9.8
226.09761	1.9
262.99152	0.3
319.17004	0.4
321.18552	2.1
322.18719	0.4
323.20142	0.4
337.18118	8.5
337.22183	0.7
338.18274	0.8
353.21265	1.6
439.54248	0.3
465.26599	0.7
467.24393	0.4
481.25928	7.1
482.26514	1.7
497.29071	100.0
498.29449	16.0
515.29840	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01584	0.8
61.98715	0.7
63.80568	0.4
71.57394	0.3
71.57822	0.4
89.92590	0.3
152.99478	0.4
193.07037	0.3
194.74826	0.3
279.23297	4.8
320.64270	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15984	0.3
57.03329	0.3
58.00476	0.3
59.01254	4.8
71.01263	3.6
71.58569	0.4
73.02821	1.1
78.95779	2.1
83.01265	0.8
85.02831	1.0
87.00748	0.5
89.02328	3.3
92.69313	0.3
95.01263	0.4
101.02334	3.6
113.02347	2.1
119.03394	0.9
134.97546	0.3
152.99489	3.5
161.04495	1.0
179.05478	0.4
179.31779	0.3
191.05499	0.3
235.08127	0.7
253.09300	12.9
254.09605	0.5
279.23303	100.0
280.23657	9.1
387.56183	0.3
433.23602	0.6
434.42368	0.3
436.74615	0.3
445.52402	0.3
448.06198	0.3
463.30792	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86263	0.9
55.01756	7.3
55.72811	1.0
57.03325	6.8
58.00454	3.3
59.01252	82.9
61.98698	1.0
69.03331	3.0
71.01254	100.0
72.01606	1.3
72.99174	4.9
73.02821	36.0
75.00748	2.4
79.49476	1.2
81.03355	1.6
83.01260	13.6
85.02824	38.3
85.03357	1.8
85.99967	2.6
87.00743	7.7
89.02321	88.3
90.02682	1.7
95.01270	6.1
97.02827	4.3
99.00756	18.5
99.04389	2.0
101.02323	93.5
108.60126	1.0
111.00784	2.9
113.02328	44.0
114.02631	1.0
115.03898	3.5
117.65701	0.9
119.03391	39.5
120.03770	1.2
125.02369	8.1
129.01808	2.0
131.03375	15.0
138.51018	1.1
143.03395	11.4
149.04457	22.1
159.02899	1.8
161.04468	17.1
179.05533	15.3
180.05771	1.3
190.14391	1.3
191.05605	5.8
197.97095	1.0
229.55801	1.1
233.06590	6.5
233.49596	1.1
240.93768	1.3
251.07574	1.5
293.21219	5.4
312.83783	1.1
383.24527	5.7
453.04922	1.2
515.28607	51.0
516.29059	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	515.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19077	1.4
51.20631	1.3
52.19444	1.2
55.01745	1.4
58.00460	3.7
59.01254	79.5
69.51317	11.9
71.01257	74.3
72.99185	3.0
73.02824	17.7
74.19038	1.3
79.56142	1.8
83.01270	5.2
85.02817	11.2
87.00758	3.8
89.02321	100.0
90.02641	2.7
91.29646	1.2
95.01273	3.1
97.02854	1.5
99.00768	28.0
101.02327	45.6
103.10710	1.5
109.39838	1.5
113.02335	17.9
115.03915	1.6
119.03388	15.9
121.10107	1.8
125.02347	5.1
129.06613	1.5
131.03383	18.5
131.04973	1.3
143.03421	2.1
149.04474	46.4
161.04437	5.6
171.10263	2.8
177.01799	1.2
179.05545	3.2
190.05330	1.6
191.05580	15.3
251.07675	2.9
251.20084	1.9
253.09235	3.3
275.20020	2.7
279.19644	16.4
293.21109	7.4
295.62201	1.6
470.72131	1.7
515.28625	15.9
516.28888	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	515.2856
Annotation	Tricalysioside M
Peak:m/z	Relative Intensity
55.01742	3.8
57.03323	7.7
58.00464	2.0
59.01253	53.6
61.98692	2.3
69.03327	1.1
71.01258	35.2
71.59847	2.0
71.60206	1.2
72.99155	2.6
73.02821	11.0
75.00772	2.8
83.01257	9.1
83.04899	2.4
84.02040	1.5
85.02821	48.8
85.15202	1.1
87.00741	3.4
89.02316	16.6
95.01277	3.5
97.06475	1.9
99.00774	4.1
101.02322	24.5
101.24340	1.1
101.28128	1.0
101.37791	1.0
107.12360	1.1
111.00779	13.1
113.02335	13.8
119.03436	7.0
119.45007	1.1
121.02810	1.1
125.01531	1.0
125.02343	6.4
127.03910	7.9
129.01845	17.6
137.02388	1.6
139.07535	2.6
139.11232	2.3
143.03369	1.6
145.02882	1.3
149.04379	1.3
151.11256	3.0
159.02788	1.1
161.04430	4.3
165.01804	2.2
169.01273	1.7
177.01735	1.5
179.05641	1.3
184.58940	1.1
205.03537	10.4
219.00934	1.2
221.06372	1.2
263.65823	1.5
268.66556	1.3
303.05115	1.3
309.20874	2.0
309.24432	4.3
471.28900	3.0
471.33704	1.6
515.28595	100.0
516.21844	2.1
516.28912	15.7
538.12830	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2862
Annotation	Tricalysioside M
Peak:m/z	Relative Intensity
55.01762	4.4
57.03321	4.6
58.00467	1.6
59.01252	30.6
60.01595	0.6
60.62136	0.7
61.98708	2.4
64.06290	0.7
67.01726	0.8
69.03325	1.9
71.01254	72.7
71.59062	0.6
71.59445	0.8
72.01598	1.3
72.99186	2.6
73.02819	24.6
75.00755	1.7
83.01264	8.9
85.02825	30.1
85.99977	1.0
86.03178	0.8
87.00758	3.2
89.01762	1.5
89.02318	23.1
90.95771	0.7
95.01273	5.1
97.02818	3.6
99.00757	12.2
101.02326	44.2
102.02636	0.7
113.02333	26.8
114.02694	0.9
115.03931	1.5
116.55742	0.7
119.03388	3.5
123.04423	0.8
125.02334	6.3
127.23321	0.8
129.01784	1.0
131.03447	3.7
143.03412	3.4
145.19878	0.7
149.04471	5.2
159.02927	5.4
160.03426	0.6
161.04466	34.2
162.04778	1.3
168.49541	0.6
179.05525	1.2
183.02716	0.8
189.05333	0.8
189.29282	0.8
191.05492	1.6
205.03453	2.2
233.06702	2.1
293.08838	0.8
383.24390	34.8
384.24689	3.7
395.14996	3.8
425.16071	1.0
427.23398	0.8
515.28607	100.0
516.29065	14.6
528.05359	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01600	1.1
67.50735	0.2
71.07050	0.5
71.07417	0.4
78.95789	0.3
79.54765	0.2
80.01614	0.3
113.92372	0.2
134.26050	0.2
153.56653	0.3
184.74297	0.3
221.33162	0.2
277.21680	3.8
278.22165	0.5
327.10904	0.2
491.24600	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.0678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	3.0
56.53646	3.2
59.01252	2.9
59.49868	3.1
65.00202	5.2
67.01754	3.5
68.99725	3.5
69.26293	30.2
69.30902	3.0
71.01234	3.8
81.33114	2.5
83.01245	17.3
85.02818	3.2
85.65363	2.8
95.01262	15.8
97.02879	3.9
98.20620	4.5
98.98438	2.9
107.01271	5.3
111.00771	70.8
123.00758	23.0
125.02344	93.3
126.02657	4.0
127.00242	4.8
136.98708	5.8
137.02223	3.4
137.99561	3.0
139.00276	98.4
140.01004	9.3
141.01852	10.8
142.17731	2.6
144.46112	2.7
151.00304	4.5
153.01860	2.9
154.99767	8.6
157.01334	3.9
158.05072	2.9
164.98285	4.0
165.99017	5.1
166.99782	68.6
168.00543	13.2
169.01347	100.0
170.01712	4.6
181.01341	3.7
182.99263	18.0
184.00102	14.7
185.00804	21.4
211.02444	14.4
229.38387	3.1
245.13675	2.9
271.04556	22.2
273.00592	5.6
287.07660	5.7
301.05695	7.5
303.07257	9.7
313.05630	26.9
329.04947	18.3
331.06757	23.7
347.06216	21.3
435.05408	3.9
453.06641	15.4
471.07828	7.8
475.04523	3.2
497.05801	10.0
498.66452	3.3
515.06628	11.5
541.49237	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.0
57.03323	76.3
58.00470	0.8
58.03648	1.2
59.01250	100.0
60.01578	1.3
69.43987	5.3
69.44411	1.1
71.01254	20.5
73.02827	7.0
75.00782	0.9
80.52706	0.8
81.03348	2.2
83.01261	5.5
85.02824	12.0
85.03349	0.9
87.00764	1.2
89.02317	4.3
95.01238	1.6
96.96855	0.9
97.02818	0.9
98.20499	1.4
99.00768	4.4
99.04394	82.3
100.04750	1.8
101.02326	30.3
113.02325	8.1
119.03366	0.9
125.02335	35.2
126.02680	1.4
143.03407	2.4
159.02895	1.8
161.04497	6.7
209.15428	3.1
287.50650	0.7
353.19565	4.3
371.20715	31.4
372.21191	2.4
403.11960	0.8
413.21881	6.5
414.22308	0.7
451.22125	0.8
471.26318	1.4
515.25000	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	513.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69487	0.1
55.01763	0.3
57.03318	0.2
58.00470	0.3
59.01252	6.5
67.87812	0.1
69.03315	0.2
69.33124	0.3
69.33532	1.2
71.01254	5.0
72.99176	0.4
73.02818	1.0
78.95775	1.8
83.01256	0.5
83.04908	0.1
85.02834	1.0
87.00737	0.7
89.02323	4.0
91.03893	0.2
95.01252	0.3
96.96802	0.2
97.02815	0.2
99.00751	0.2
99.04352	0.2
101.02325	4.9
103.03886	0.2
113.02333	2.2
119.03407	1.1
127.07573	0.2
133.04950	0.3
137.34531	0.1
143.03407	0.4
152.98309	0.2
152.99493	2.5
153.00711	0.1
161.04475	1.9
171.00462	0.1
179.05562	0.6
233.22710	0.2
235.08183	1.1
253.09271	15.0
254.09547	0.8
259.20688	0.4
275.20099	0.4
277.21719	100.0
278.22067	9.8
337.02759	0.1
431.22137	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	89.6
61.98690	2.3
71.01253	17.3
72.99126	1.1
73.02809	3.6
81.03301	1.1
83.01251	1.9
85.02824	5.1
89.02316	21.5
95.01235	1.7
99.00751	5.7
101.02338	13.3
113.02343	9.0
113.88875	1.3
119.03374	4.5
123.16525	1.4
125.02334	3.6
131.03403	3.4
149.04465	9.5
161.04478	4.4
165.12776	15.7
173.79189	1.3
175.11266	1.1
175.69420	1.1
191.05524	3.0
209.11789	2.7
247.20596	8.5
273.18567	3.9
291.19672	100.0
292.20044	9.9
305.21017	2.9
326.02487	1.3
333.20786	3.9
381.23148	1.6
513.27161	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	513.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50735	0.9
55.01748	1.4
57.03326	4.5
58.00474	0.9
59.01253	100.0
61.98703	3.0
64.81336	0.8
69.03326	1.3
71.01258	35.5
71.59051	1.0
71.59474	0.9
72.99190	3.7
73.02812	4.1
75.00755	2.7
81.03334	2.1
81.36295	0.9
83.01269	4.4
85.02825	18.6
87.00755	3.1
89.02322	40.3
90.02666	1.2
95.01264	2.3
97.02837	2.0
99.00774	2.4
99.04373	1.4
101.02331	21.9
109.02811	1.6
110.67722	0.8
111.00765	8.0
111.04449	1.1
113.02340	18.5
119.03387	17.3
123.00860	1.1
125.02348	7.5
126.02744	1.0
129.01826	4.4
131.03400	3.1
135.04408	1.9
136.05263	1.3
137.02409	2.2
139.00233	1.3
143.03423	5.3
144.37964	1.0
147.04445	1.7
149.04503	1.7
151.03966	0.9
151.07547	12.9
152.08345	10.7
161.02342	1.6
161.04497	6.8
169.01289	1.1
179.05519	11.7
179.06923	1.1
184.37914	1.0
195.06577	25.2
196.06789	1.3
205.03467	1.8
209.08112	2.3
219.06598	7.0
237.07637	1.7
301.16547	3.7
357.11804	8.2
361.18765	1.4
437.19324	1.0
453.24924	24.7
454.25342	3.2
469.13428	2.0
513.20105	4.7
513.27173	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89281	0.1
54.44476	0.1
55.01754	0.3
57.03324	0.1
58.00467	0.3
59.01251	6.6
69.33501	1.1
71.01251	5.5
72.99181	0.4
73.02808	1.0
78.95777	1.7
83.01244	0.6
83.04882	0.1
85.02819	1.2
87.00741	0.7
89.02317	3.6
91.03886	0.3
95.01248	0.4
96.96855	0.2
97.02818	0.3
99.00735	0.2
101.02325	5.0
102.02663	0.1
103.03898	0.2
113.02332	1.9
119.03384	1.1
127.07526	0.3
131.03326	0.2
133.04979	0.4
143.03409	0.5
149.04518	0.2
152.99483	3.3
157.04991	0.1
161.04454	1.5
175.48618	0.1
177.32550	0.1
179.05565	0.5
203.27083	0.1
205.19456	0.1
216.47333	0.1
233.22711	0.4
235.08192	1.0
253.09256	16.2
254.09619	0.9
259.20703	0.3
272.44592	0.1
275.20218	0.2
277.21707	100.0
278.22055	9.4
280.69604	0.1
318.87408	0.1
431.21912	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87336	1.3
53.69313	1.2
57.03323	79.0
58.03656	1.5
59.01250	100.0
69.42242	8.5
69.42648	3.1
71.01250	39.1
72.99185	6.4
73.02816	32.5
74.03175	1.3
75.00768	1.1
79.05410	2.1
81.03329	3.4
83.01257	12.0
85.02836	9.7
87.00737	2.7
89.02315	19.6
93.03354	1.3
95.01254	3.2
97.06416	1.5
98.19796	2.5
99.00751	1.9
99.04395	86.1
99.55424	1.4
100.04714	2.1
101.02318	53.6
109.02843	1.1
111.04415	1.3
113.02332	22.0
113.05965	3.9
117.03313	2.5
119.03387	10.4
119.04852	1.5
121.02802	3.9
122.03622	2.4
123.04408	19.2
125.02332	58.5
131.03369	3.2
137.02327	3.6
137.09583	5.8
141.05441	3.5
143.03395	9.1
145.02835	2.6
148.05185	3.0
149.02307	3.6
149.04451	4.4
150.03146	6.5
151.03838	2.1
153.05400	3.3
154.99525	1.6
155.03343	1.5
155.10661	4.0
161.04469	21.5
163.03853	1.3
165.05453	5.4
167.03323	2.9
169.01282	3.0
175.03870	1.4
177.01811	3.5
179.05547	6.9
195.06563	3.5
199.09692	3.3
221.06560	2.1
241.10832	1.5
257.02679	1.9
263.07709	3.7
286.40033	1.3
289.06879	1.8
301.12909	1.3
317.10236	5.2
323.09726	3.5
361.14951	1.9
364.56714	1.3
388.08215	1.5
465.15335	2.4
469.20398	7.4
513.18896	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	511.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92383	0.4
58.66264	0.4
59.01254	50.2
71.01254	1.1
72.99200	0.5
73.02821	0.5
73.36224	0.4
75.00747	1.6
77.88441	0.4
81.03326	4.2
83.04902	13.2
85.02850	2.3
98.19814	0.8
99.00781	0.9
101.02319	0.5
107.06040	0.6
113.02330	1.4
125.07130	1.3
142.64610	0.4
143.08118	0.6
160.96159	0.5
169.01440	0.5
207.15028	1.4
224.17650	2.6
225.16049	8.2
225.18097	0.8
231.85582	0.5
242.18694	0.9
324.26620	1.3
333.22876	2.7
351.23846	0.6
367.27118	1.2
371.22342	0.5
433.31897	4.1
434.31689	0.9
451.32916	100.0
452.26907	0.8
452.33237	13.7
511.23987	6.5
512.24542	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40742	0.5
56.74221	0.4
57.03330	2.9
58.00450	0.5
59.01253	31.0
60.20669	0.5
67.08785	0.4
69.03374	0.9
69.93510	2.5
71.01253	14.7
72.01543	0.5
72.99180	1.2
73.02827	5.4
81.03342	0.7
83.01279	1.8
85.02828	6.4
85.99964	0.4
87.00739	2.6
87.04387	0.9
89.02325	3.3
95.01296	0.6
97.02831	0.6
99.00777	1.5
99.04404	1.9
101.02319	9.1
103.03914	1.3
113.02332	7.5
115.03891	1.2
119.03422	1.2
121.02858	0.9
123.04405	0.7
125.02341	3.2
131.03404	2.2
137.02364	0.9
143.03415	3.6
147.04440	1.0
148.05203	100.0
149.02327	0.7
149.05524	5.2
150.03117	1.3
154.85045	0.5
161.04463	11.6
163.07556	94.1
164.07880	4.3
165.05429	1.4
169.01328	1.5
177.09349	0.5
193.05055	0.9
195.06583	1.0
205.07141	3.4
265.92072	0.4
313.05429	0.7
325.12988	1.1
347.47443	0.5
367.14063	0.5
380.25024	0.5
471.18741	20.2
472.19193	3.0
513.20483	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	513.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02702	2.5
53.03467	2.3
54.71669	2.2
57.03048	3.2
57.03325	68.4
59.01249	100.0
63.39323	2.2
69.33157	20.9
71.01254	35.4
71.75303	2.1
73.02821	20.6
81.03335	2.9
83.01257	9.8
85.02814	5.8
87.00724	4.3
89.02309	15.8
95.01255	3.5
98.19773	2.5
99.04389	60.4
101.02316	41.5
106.51624	2.0
109.02804	2.7
111.57952	2.0
113.02312	18.8
119.03370	8.0
119.04925	2.6
121.02831	2.8
123.04405	6.5
125.02327	45.1
131.03348	3.9
137.02365	2.9
137.09573	6.0
143.03403	7.7
145.02850	7.4
148.05177	11.5
149.02361	2.4
149.04492	2.9
150.03302	1.9
151.03899	3.6
161.04482	15.6
163.07570	14.6
165.05455	3.4
177.01892	4.9
178.43959	2.3
179.05527	6.0
188.96045	2.0
200.33937	2.2
270.86652	2.1
278.31226	2.0
302.81253	2.2
311.49854	2.2
368.24695	2.3
430.48553	2.4
455.11606	2.3
469.20694	21.3
471.18552	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	511.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31635	1.1
59.01250	6.9
61.98709	4.2
71.01260	1.8
71.58421	1.8
83.04901	6.2
85.02837	2.1
93.03359	1.8
100.12631	1.4
101.02328	1.4
101.10164	1.2
104.55992	1.2
109.06493	1.5
113.02320	1.9
123.08060	1.6
125.02348	2.6
125.09617	2.1
128.97385	1.2
135.08093	3.0
163.11227	4.4
165.12752	2.6
171.10197	34.5
185.11742	1.8
192.02220	1.1
195.06580	2.0
207.10217	1.8
209.11777	100.0
210.12172	4.5
221.11716	1.8
223.13365	1.8
227.12852	11.3
247.13351	9.4
265.14453	3.0
275.20209	1.6
287.24774	1.4
349.12982	1.6
357.20374	1.7
369.46939	1.2
375.21594	2.4
449.25623	3.5
460.15939	1.3
468.97916	1.3
475.27332	3.2
493.27921	1.9
511.28860	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	511.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79147	0.9
57.03316	1.7
58.02087	1.1
58.91827	1.0
59.01244	4.4
60.33221	0.9
61.98703	1.7
71.01257	1.7
73.02850	1.1
76.20363	0.9
76.63982	1.2
80.02559	1.7
81.03334	1.9
83.04903	6.3
84.02039	1.0
85.25777	1.1
91.08705	1.0
93.03329	0.9
95.04916	1.7
95.56527	1.0
98.20547	2.7
105.41276	0.9
123.08075	1.2
125.02363	1.1
125.09641	3.4
125.47226	1.0
135.08060	1.7
147.11774	1.1
163.11217	3.8
165.12759	2.4
171.10176	33.9
172.10481	1.4
185.11818	1.7
191.10701	1.5
195.06567	1.9
209.11771	100.0
210.12105	5.9
210.37697	1.0
221.11748	1.8
223.13339	2.1
227.12846	9.8
229.12285	1.1
247.13339	10.1
265.14514	2.2
349.12848	1.3
375.21460	1.9
375.25693	1.3
419.24603	1.5
449.25363	3.2
475.26865	3.2
493.28085	1.4
509.43658	1.1
511.29089	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	511.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	14.6
59.01249	6.3
69.35023	2.8
69.35446	5.5
71.01263	2.1
75.00741	1.0
79.73236	0.7
81.03338	1.2
83.01242	4.4
85.02834	1.8
87.00755	0.8
89.02309	1.1
93.03373	1.2
95.04900	1.8
97.02855	1.4
98.19839	2.0
98.20484	2.0
101.02356	1.0
105.03333	2.5
109.02857	5.6
111.04415	1.5
113.02369	2.0
121.02837	2.8
123.00777	1.0
123.04379	0.9
124.01524	2.2
125.02340	100.0
126.02693	3.7
133.02879	1.1
135.04448	1.0
136.68573	0.9
137.02357	18.0
138.03082	2.9
139.03908	3.9
149.02356	3.7
150.02995	1.0
151.03940	2.6
161.02356	34.2
162.02887	1.4
163.00311	1.2
163.03873	1.2
164.01003	2.1
164.04709	3.1
165.01851	16.3
165.05440	1.8
167.03391	5.0
169.01332	2.6
175.00284	2.4
175.03920	1.6
177.01929	1.3
177.05504	3.3
178.02582	1.1
179.03493	4.1
183.04630	0.8
190.02611	3.5
191.03459	1.3
193.01329	1.0
197.04478	1.1
201.05537	1.3
203.03508	1.0
205.05006	2.9
208.03735	3.7
217.05118	1.0
219.06612	2.4
221.04445	1.4
223.06087	9.8
269.04599	2.1
287.05490	3.1
305.06650	32.0
306.06989	2.7
313.05801	0.8
322.38666	0.8
329.10266	0.9
341.10349	2.4
345.09775	3.8
349.12833	1.1
511.12851	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85048	1.4
59.01237	5.2
63.92262	1.4
66.89387	1.2
71.01247	2.8
71.22240	3.2
80.02544	1.3
83.01297	1.2
89.02338	1.7
93.03336	4.2
98.19907	1.9
107.01288	2.2
108.02054	20.2
112.01067	1.5
121.02841	21.3
122.03518	1.6
123.00745	2.0
123.04410	43.2
125.02396	1.6
133.02843	6.2
136.01576	8.1
137.02325	5.0
149.02379	9.0
150.03107	5.5
151.03905	8.6
153.05467	1.5
161.02328	5.1
163.03941	1.7
164.04620	2.4
165.01843	37.9
165.05534	7.3
165.06718	1.5
166.02513	2.1
169.78644	1.4
175.03914	2.8
176.04692	1.9
177.39984	1.4
179.03416	100.0
180.04047	6.3
181.04987	1.9
191.07199	1.9
194.05713	4.5
195.06656	9.6
203.95383	1.2
209.08133	4.8
239.03485	2.4
255.06345	1.4
283.06024	9.2
284.83261	1.5
301.07190	12.7
302.07565	2.8
303.08582	3.0
317.10260	18.4
475.34970	1.6
481.15088	23.0
482.15375	3.4
493.15073	25.4
511.16156	17.3
512.16626	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	509.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.8
57.03326	5.9
58.79285	0.5
59.01254	15.6
61.98708	1.0
69.03317	0.6
69.35117	5.1
71.01254	25.2
72.99189	3.8
73.02820	4.2
75.00751	25.4
75.49249	0.6
78.26606	0.6
78.95787	5.4
83.01276	2.9
84.02010	0.9
85.02828	29.6
85.95875	0.5
85.99965	0.5
87.00761	7.0
89.02323	6.9
95.01264	3.4
97.02819	0.9
99.00758	8.7
101.02325	9.3
103.00237	0.7
104.74065	0.5
111.00809	1.2
112.01521	0.6
113.02339	27.2
114.02627	0.5
115.00272	1.9
117.01820	1.3
119.03385	1.0
125.02316	1.5
129.01837	0.7
131.03375	0.7
142.39755	0.5
149.04475	1.0
152.99478	0.8
157.01329	1.3
159.02818	0.6
160.15132	0.5
161.04501	2.1
168.67665	0.5
171.00565	0.7
175.02408	3.7
184.25136	0.6
215.14330	0.8
225.11313	0.7
325.35312	0.6
333.23044	1.9
377.19858	0.8
447.07785	0.6
509.26062	100.0
510.26389	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	509.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
70.34380	1.6
78.95777	21.3
93.86618	0.4
96.96886	2.0
114.24023	0.5
132.23117	0.5
152.99492	32.5
153.99857	0.4
171.00555	1.7
196.89438	0.7
227.03191	4.2
245.04260	1.3
281.24850	100.0
282.25238	8.0
283.26364	2.8
284.26767	4.5
417.24124	1.4
446.58322	0.4
509.28802	50.4
510.29156	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	509.2885
Annotation	CHEBI:68981
Peak:m/z	Relative Intensity
71.35166	1.2
74.00337	0.5
78.95776	19.5
96.96837	2.1
115.09479	0.5
152.99492	31.3
153.99722	0.7
171.00591	1.7
227.03186	5.0
245.04329	1.2
281.24847	100.0
282.25177	8.6
284.26831	1.0
417.23785	0.9
509.28824	50.0
510.29068	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	510.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	4.2
61.98701	15.1
69.57489	6.6
69.57919	7.4
76.87242	1.8
85.75140	2.1
107.01274	3.0
109.02859	3.1
111.00758	2.4
118.96671	1.7
121.02869	3.0
149.02284	1.9
151.00261	12.1
163.00298	4.1
175.15169	1.7
178.99762	8.3
227.03510	1.9
243.02956	7.3
255.02943	21.6
271.02444	35.3
272.02869	3.2
273.03818	2.3
300.02731	82.3
301.03500	64.6
302.03818	4.8
447.09305	100.0
448.09518	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	509.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	3.5
57.03333	4.7
58.00475	3.2
59.01252	76.2
61.98701	2.2
69.03334	2.3
71.01257	86.8
71.59323	1.2
72.99171	3.9
73.02819	26.3
75.00749	2.4
78.95802	1.6
81.03342	1.6
83.01267	7.8
85.02827	27.2
87.00771	3.2
87.04444	0.8
89.02319	100.0
90.02649	1.9
95.01267	4.5
97.02850	3.5
99.00759	33.3
101.02326	70.3
102.02672	1.2
109.02860	1.1
111.00793	1.4
113.02333	25.6
115.03894	1.5
119.03410	11.9
125.02335	9.0
131.03400	22.9
137.02336	1.1
143.03400	4.9
145.02914	1.1
149.04463	89.5
150.04834	2.5
159.02873	1.9
161.04482	14.2
179.05536	6.7
183.04318	1.1
191.05527	18.7
197.11945	1.0
209.11731	1.5
221.06575	4.7
233.06595	3.1
251.07700	8.6
255.03049	1.6
271.02411	1.9
274.33118	0.8
284.03195	1.2
285.04056	3.1
289.03632	1.1
293.08862	2.3
299.01971	2.8
300.02725	3.8
300.05728	1.0
301.03436	0.9
311.10007	1.9
377.19763	4.8
509.23962	27.3
510.24530	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	509.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.6
57.03336	3.9
59.01253	23.8
61.98701	3.4
68.99681	0.8
71.01257	25.7
71.59577	1.2
72.99195	4.3
73.02827	4.2
75.00750	27.7
78.95789	6.8
83.01263	4.2
83.04906	1.3
84.02093	0.9
85.02824	32.9
87.00760	6.1
89.02332	6.3
95.01257	3.3
97.02843	1.6
99.00767	10.6
101.02323	9.5
103.00195	0.7
108.93295	1.1
111.00751	1.1
112.01542	1.4
113.02333	30.7
115.00230	2.2
117.01824	1.6
125.02347	2.8
129.01866	1.0
131.03426	0.8
137.02271	1.1
149.04436	2.2
152.99434	1.0
159.02887	0.8
161.04573	0.8
169.01387	1.0
171.00594	1.4
171.10179	1.3
175.02417	4.1
209.08076	1.0
209.11792	1.7
217.05104	0.9
225.11298	1.5
245.04642	0.8
267.19077	0.9
283.02551	0.8
289.03464	0.9
312.22614	1.2
333.23022	2.0
449.23599	1.4
482.29736	0.8
491.25113	1.0
509.26053	100.0
510.26294	14.9
535.22437	0.8
536.98956	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74561	0.3
53.00179	0.3
55.01758	2.4
57.03086	0.5
57.03329	6.3
58.00467	0.7
58.78650	0.3
59.01252	37.5
59.36726	0.3
60.01591	0.7
67.01772	0.8
68.99707	0.6
69.03341	0.7
69.33167	1.8
69.33596	1.6
71.01257	27.8
71.35859	0.3
72.99182	5.8
73.02822	5.3
73.03204	0.7
75.00749	37.2
76.01091	0.4
77.26785	0.3
83.01258	3.7
84.02022	0.7
85.02825	38.7
85.99978	0.7
86.03166	0.7
87.00224	0.5
87.00755	10.3
89.02309	2.5
93.03356	0.4
95.01262	3.8
97.02829	1.2
98.20404	1.3
99.00764	12.9
100.01158	0.5
101.02326	8.3
103.00237	1.0
107.54567	0.3
109.02841	0.5
111.00757	1.0
112.01524	1.2
113.02334	37.7
114.02671	0.8
115.00265	3.1
116.01044	0.7
117.01853	1.9
119.04897	0.4
125.02327	2.2
129.01828	1.8
131.03374	0.9
137.02271	0.4
141.01834	0.4
143.03328	0.3
155.43581	0.3
157.01352	2.1
159.02901	0.7
161.04535	2.0
169.01416	0.5
171.13771	0.9
173.04520	0.5
175.02420	4.5
203.09727	0.3
251.56949	0.4
291.18192	5.5
292.18420	0.4
405.21362	4.1
406.21774	0.6
423.22260	0.7
434.17200	0.6
449.20212	1.2
467.21155	0.8
478.16071	0.7
491.21011	0.6
509.22372	100.0
510.22772	11.7
539.12048	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63442	1.1
55.01757	4.1
56.31584	1.1
57.03327	9.3
59.01253	46.8
67.01773	2.3
68.99695	3.0
69.03325	4.2
69.45688	5.5
69.46114	5.4
70.87291	1.2
71.01254	61.0
72.01595	1.5
72.99187	20.7
73.02823	10.8
75.00748	49.3
79.01778	2.1
83.01254	12.3
83.04932	1.4
84.02062	1.6
85.02824	61.8
86.03160	2.5
87.00757	20.3
89.02324	14.0
89.59689	1.3
95.01254	12.3
97.02834	8.8
99.00755	18.8
101.02322	14.3
103.00258	7.5
103.30630	1.3
103.54967	1.4
105.82125	1.3
107.01295	5.6
111.00747	9.7
113.02335	65.4
114.02601	1.3
115.00237	6.4
117.01827	3.9
119.03437	2.3
123.00766	22.3
124.01611	2.5
125.02336	28.5
129.01828	6.2
131.03375	10.7
136.98717	3.3
137.02348	4.1
139.00276	6.3
139.03922	1.4
140.01070	3.9
141.01820	3.6
143.48170	1.3
148.90663	1.3
149.04474	1.8
151.00272	10.4
153.01909	1.6
168.00565	10.3
169.01340	24.6
170.01756	1.7
173.04442	9.8
175.02394	13.4
177.01915	2.0
177.03987	2.7
179.03510	1.5
179.05457	1.2
180.07813	4.4
181.08652	2.4
191.05542	1.9
193.03473	58.8
194.03848	1.3
195.10196	2.0
205.03436	3.1
209.11771	9.8
217.03358	1.4
227.12874	1.6
235.04552	28.1
249.06178	1.9
255.72249	1.6
301.03604	1.5
327.60892	1.3
329.05203	1.4
337.07770	26.2
338.08371	1.6
343.13834	4.2
355.08865	9.3
407.30051	1.4
477.19666	10.7
509.16415	86.3
509.22565	100.0
510.16125	12.9
510.23715	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	509.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19181	0.5
54.44759	0.5
55.01761	1.5
57.02837	0.5
57.03325	5.5
58.00462	1.0
59.01254	39.3
60.01547	0.5
61.98681	0.6
67.01752	0.6
68.99696	1.2
69.03336	1.0
69.43389	3.6
69.43798	1.0
71.01257	27.0
72.01566	0.7
72.99191	6.9
73.02825	5.7
75.00750	36.3
76.01083	0.9
80.41262	0.5
81.03345	0.6
83.01284	3.3
84.02058	1.0
85.02827	38.2
85.99989	0.6
86.03134	0.7
87.00754	10.2
88.98670	0.6
89.02328	3.5
90.50592	0.5
95.01261	3.7
97.02840	1.0
98.20497	1.2
99.00765	14.1
99.04412	0.5
101.02324	8.3
103.00225	0.6
111.00788	1.7
112.01525	1.4
113.02335	38.6
114.02697	1.0
115.00278	3.5
117.01817	2.3
119.04901	0.8
121.02868	0.7
125.02373	2.9
129.01828	2.0
131.03384	0.7
135.04379	0.7
137.02336	1.0
150.03134	0.5
151.00307	0.6
157.01363	1.8
161.04466	2.3
169.01196	0.6
171.13858	1.3
173.04379	0.6
175.02428	3.8
175.03687	0.7
180.06572	0.6
192.53067	0.5
250.51245	0.5
268.35544	0.6
277.15817	0.5
291.18152	5.0
324.12408	0.6
329.17609	1.1
347.18591	1.2
347.28003	0.9
391.20139	0.7
405.21252	4.0
423.22711	0.5
449.20395	2.1
449.27020	0.6
467.21222	1.7
491.20963	0.7
509.22391	100.0
510.22867	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	509.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22044	1.1
57.98641	0.9
59.01240	3.3
59.91021	0.9
67.01752	1.2
69.03334	1.0
71.01249	3.4
71.07941	1.5
72.99167	1.6
75.00753	1.9
83.01250	1.8
85.02811	2.6
95.01251	1.6
97.02835	1.5
99.00735	1.6
107.01268	9.0
109.02854	1.2
110.42963	0.9
111.00757	1.9
112.98125	1.1
113.02336	4.2
115.36503	0.9
120.11818	0.9
121.02830	3.7
123.00767	12.2
124.01532	1.1
125.02337	34.6
136.98734	1.4
137.02393	1.1
139.00259	5.0
140.01030	3.1
141.01820	1.8
151.00278	9.3
153.01843	2.2
161.02361	0.9
165.01740	1.2
166.99727	1.1
168.00528	4.1
169.01350	41.9
169.02798	2.1
170.01736	1.7
175.02460	1.1
177.01776	0.9
178.99780	5.4
180.07831	15.5
183.02962	1.7
195.10207	4.2
205.04984	1.4
233.04507	4.9
245.04599	1.5
261.04099	3.3
271.02414	1.6
287.01950	2.9
289.03537	2.7
313.05637	11.4
314.05914	1.1
315.01288	6.9
316.01834	1.6
327.07129	1.2
331.04504	1.8
333.02261	13.1
409.07730	1.4
509.16632	100.0
510.16949	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	509.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05620	1.3
50.28361	1.2
59.01243	5.8
60.56152	1.1
61.28533	1.1
68.41391	1.4
71.38949	1.2
71.57764	1.9
78.95766	3.1
85.85019	1.2
86.55370	1.1
93.03342	16.1
101.02311	1.9
106.46526	1.2
108.02058	6.2
117.03351	10.1
119.04929	13.9
123.04394	9.9
123.52081	1.3
133.02867	3.4
139.98639	1.3
145.02972	1.4
147.99028	1.5
157.02800	2.2
171.10178	1.5
175.55272	1.4
177.09157	1.4
209.11807	2.6
223.07541	1.7
225.40189	1.9
234.75922	1.2
235.07561	2.2
237.05528	6.0
246.17795	1.5
250.06284	8.5
251.07072	9.5
263.07153	48.1
264.07678	6.7
344.94797	1.4
359.12946	7.9
370.11996	4.3
371.12814	1.9
373.14481	11.3
378.94754	1.4
385.14478	100.0
386.14798	10.3
415.15564	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1301
Annotation	Mallophenol A
Peak:m/z	Relative Intensity
55.01759	0.6
57.03310	1.7
57.90160	0.5
59.01253	8.5
67.01752	1.0
68.99665	0.5
69.03316	1.1
70.96909	0.6
70.97247	1.3
71.01261	5.7
72.99158	0.6
73.02821	0.6
75.00739	2.2
79.01765	0.5
79.95506	0.4
81.03342	0.9
83.01258	0.7
85.02824	5.1
87.00760	1.4
89.02330	1.0
95.01264	1.8
97.02830	1.3
99.00735	0.7
101.02327	1.9
107.01275	8.8
107.04887	0.9
108.02079	0.6
109.99973	0.9
111.00779	2.6
113.02327	3.5
119.04871	0.8
121.02844	1.2
123.00771	11.4
123.04417	1.4
124.01536	1.2
124.76691	0.5
125.02341	49.7
126.02668	1.5
127.00266	1.3
127.77469	0.5
129.01767	0.5
134.03629	0.7
135.04440	4.8
136.05157	1.7
136.98682	1.4
137.02338	1.3
137.05995	1.1
139.00279	3.8
140.01064	3.6
141.01845	2.2
147.44725	0.5
149.02376	0.7
150.03122	0.7
151.00288	11.1
151.03911	1.2
151.07526	1.2
153.01778	0.6
163.03876	0.9
165.01781	0.7
165.05495	1.2
166.99854	1.2
167.03465	0.9
168.00569	4.2
169.01346	61.6
170.01694	2.4
177.01889	0.8
178.99721	0.6
179.03383	0.6
181.05005	1.5
183.02890	1.7
190.02580	0.6
191.01859	0.7
194.99403	0.6
195.06567	15.3
211.02449	1.1
241.03516	0.7
245.00945	0.6
275.01959	0.8
278.58005	0.5
297.06049	0.7
303.01440	0.8
313.05655	14.2
314.06003	1.1
327.07089	0.7
328.99341	1.0
333.02792	0.6
347.00388	1.0
347.11478	1.2
351.68988	0.5
461.18347	1.1
491.11810	7.9
492.12216	1.0
509.13016	100.0
509.21555	4.2
510.13300	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	509.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20086	0.8
57.03325	17.2
59.01255	4.9
61.54555	0.7
61.98695	1.6
69.03316	2.8
69.34100	0.7
69.52837	6.4
71.01265	2.2
78.95782	1.3
81.03310	3.8
83.01259	14.7
85.02817	1.7
89.02316	1.1
93.03336	2.7
94.23348	0.8
95.01258	0.9
97.02840	1.5
98.20533	0.9
101.02335	1.7
109.02848	10.0
110.98433	1.2
111.00781	4.5
113.02328	1.7
117.03288	0.9
121.02831	2.5
123.04364	1.0
124.01575	1.0
125.02343	100.0
126.02659	3.9
131.04974	1.0
135.04453	2.2
137.02347	88.7
138.02701	3.1
139.03920	1.4
145.02861	27.0
146.03682	3.7
149.02347	12.2
150.03127	8.8
151.03937	1.0
157.06520	1.0
159.04430	15.6
160.05301	1.1
161.02374	5.8
161.05974	8.4
162.03021	0.9
163.00386	0.9
164.01082	4.1
165.01842	7.2
165.05780	0.9
167.01099	0.8
167.03522	1.2
171.10213	2.6
173.05975	1.5
174.03111	0.9
175.03906	1.8
177.01782	0.9
179.03435	3.0
181.06554	1.4
183.04402	4.6
184.05309	1.1
185.02286	1.3
185.06020	7.4
187.03969	8.7
188.04488	1.0
191.03421	1.6
197.06055	0.8
199.03882	1.3
199.07729	0.9
201.05528	6.8
202.06290	1.1
203.07056	6.9
209.06067	2.9
211.03987	3.7
213.02005	0.9
213.05537	1.6
214.02548	1.2
225.05537	2.2
227.03474	1.7
227.07115	5.5
229.05025	3.6
230.02170	2.5
230.05675	1.2
235.04048	1.1
237.07629	1.8
240.04207	0.9
241.05051	10.8
243.06621	1.4
244.07460	1.7
245.08112	0.9
253.05025	18.8
254.05345	1.4
256.03769	2.5
268.03549	0.9
270.05176	1.0
270.51022	0.8
271.06122	33.0
272.06451	2.8
285.07709	0.7
289.07233	0.8
299.05621	1.8
327.08853	1.0
329.10059	1.2
341.23279	4.3
343.11853	1.3
349.07272	1.0
355.08340	0.9
359.11386	9.9
360.11462	0.8
371.11362	2.7
381.13373	1.2
390.11301	0.8
405.13330	1.3
407.11566	2.0
423.14578	4.0
425.12482	0.8
447.14383	3.5
465.15512	9.1
466.16101	2.2
491.13278	5.5
509.14429	7.3
509.25461	4.8
509.32922	0.7
509.35193	0.7
510.14691	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.0574
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	2.4
59.01252	7.9
63.02267	1.2
65.00201	2.2
71.01264	5.7
72.99183	3.3
73.02805	1.2
75.00750	3.5
75.78851	0.9
76.19255	0.8
76.51336	0.8
82.49877	0.8
83.01266	2.6
85.02831	11.1
87.00751	2.9
89.02335	2.3
93.03371	1.7
95.01222	4.9
97.02804	1.3
99.00751	2.3
99.20441	0.9
101.02345	2.6
101.91798	0.9
107.01282	4.9
108.02067	1.8
109.02843	4.2
111.00766	7.2
113.02370	5.2
119.04921	2.2
121.02862	2.3
123.00773	4.0
123.04459	1.3
124.01596	1.3
125.02347	23.6
126.02746	1.3
129.01802	1.7
131.03406	0.9
135.04417	1.0
135.74809	0.9
136.01553	1.0
137.02356	8.5
139.00285	16.1
139.03873	2.2
140.01033	1.0
141.01801	1.0
147.02834	1.0
149.02344	3.2
150.03105	1.0
151.00279	15.7
151.03914	2.0
152.01013	3.2
153.01839	14.0
161.02362	1.6
163.00282	2.2
163.03905	2.3
164.01126	1.5
164.98192	1.0
165.01859	8.9
165.04245	1.3
165.05513	1.3
166.99765	11.4
167.03391	1.2
169.01338	9.1
173.75783	1.0
175.00223	0.9
177.01930	1.5
178.99800	22.3
179.03418	1.3
180.00368	1.7
181.04987	1.1
187.03931	2.6
190.99719	0.9
191.03409	1.1
193.01346	5.9
193.03511	3.2
194.99294	7.9
195.06674	1.2
199.03944	0.8
202.55533	1.0
203.03481	2.4
206.99231	2.7
208.00064	1.5
215.03496	3.7
219.02959	2.5
221.04457	0.9
231.02867	2.0
233.01138	1.0
243.02979	4.0
245.04544	1.1
247.02574	1.1
247.06342	0.9
252.08846	1.3
259.02472	3.1
267.11368	2.5
271.02612	2.6
273.03815	0.9
286.04718	1.0
287.02023	7.1
287.05020	1.6
288.02286	1.1
289.03445	1.8
299.02155	2.1
313.05612	1.6
315.01495	18.2
316.01932	2.1
319.08188	5.9
320.08646	1.2
329.06616	6.9
329.11288	1.4
332.01648	1.8
333.02527	100.0
334.02866	7.3
345.11090	1.9
346.11246	4.0
347.07651	3.7
347.11295	4.4
491.11407	0.9
509.05627	8.3
509.12827	7.1
509.22363	1.5
509.29596	3.1
510.05649	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1304
Annotation	Mallophenol A
Peak:m/z	Relative Intensity
52.11365	0.2
57.03326	1.1
59.01266	1.4
65.00189	1.4
67.01744	0.2
69.03327	0.4
69.48533	1.6
71.01252	2.6
75.00758	0.2
79.01791	0.3
81.03339	4.6
83.01264	1.9
85.02821	0.9
85.06464	1.7
87.00732	0.3
87.04388	0.7
93.03324	0.2
95.01304	0.6
96.17955	0.2
97.02847	0.8
98.19817	0.5
98.70778	0.3
100.80556	0.2
101.02335	0.7
107.01274	3.8
107.04875	0.3
109.06472	2.8
111.00776	0.7
111.04409	4.5
113.02328	1.0
119.11690	0.2
121.02869	0.3
123.00759	3.2
123.04407	0.3
124.01602	0.9
125.02341	40.7
126.02686	1.2
127.00337	0.3
127.07555	1.2
133.06470	0.8
136.05209	1.0
136.98682	0.6
137.02344	0.4
139.00287	1.2
139.03893	0.2
140.01091	1.2
141.01794	0.3
149.02367	1.3
151.00284	3.2
151.07558	34.7
152.00967	0.4
152.07880	1.3
153.01819	0.4
153.05476	0.6
165.09108	0.2
167.03409	0.8
168.00545	2.3
169.01343	37.0
169.57216	0.3
170.01692	1.4
177.05502	1.1
193.01375	0.3
193.04987	0.3
195.06567	75.3
196.06923	3.6
201.05559	0.6
207.06523	0.5
209.08095	0.8
211.02431	6.7
219.06569	6.8
220.06931	0.6
223.02356	0.3
237.07565	1.5
241.03529	1.4
249.07666	0.4
253.03484	0.4
261.07712	0.5
271.04575	4.6
272.05148	0.3
313.05652	18.5
314.06039	0.9
357.11871	0.3
439.08817	0.9
509.12997	100.0
510.13321	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.057
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	5.6
65.00201	3.5
69.51003	1.1
71.01252	6.6
72.51786	1.1
72.73762	1.1
72.99186	4.0
75.00742	1.4
83.01255	4.0
85.02834	7.7
87.00761	2.6
89.02327	1.8
93.03362	1.5
95.01264	3.0
97.02761	1.0
98.19788	4.1
99.00758	2.6
101.71620	1.4
103.00260	2.4
107.01267	5.2
107.30805	1.1
109.02843	9.0
111.00758	4.8
113.02339	10.7
119.04929	1.4
121.02810	1.2
123.00780	4.7
123.04455	1.6
124.98603	1.2
125.02347	8.6
127.00240	1.5
129.01857	1.6
133.02831	1.5
136.98631	1.2
137.02303	2.2
139.00281	10.3
141.01791	1.7
143.04947	1.3
147.04382	2.3
149.02376	4.0
150.99133	1.6
151.00281	20.3
152.00900	1.5
153.01857	13.4
154.99774	7.9
159.04422	2.3
161.02379	3.3
161.06006	1.9
163.00165	2.3
163.03740	1.5
165.01872	2.2
165.05508	1.3
166.99741	5.8
168.00507	3.5
169.01329	5.5
171.04428	1.5
175.00302	1.3
175.02496	2.9
175.03879	2.8
177.01840	2.0
177.98949	2.1
178.98207	1.8
178.99799	35.1
180.00291	1.6
187.03889	3.3
188.69672	1.3
189.01888	1.5
189.05579	2.3
190.02634	2.0
190.99858	1.8
191.01881	1.2
191.03471	1.7
193.01469	7.6
193.03258	6.2
194.99228	3.3
197.00752	2.1
199.03992	2.3
203.03442	2.8
205.01381	2.2
205.04968	5.4
206.99265	1.8
208.00044	1.4
215.03459	5.0
217.05005	2.2
219.02931	1.4
222.98816	7.2
226.08211	1.2
231.02856	2.4
233.04536	29.0
234.04988	3.1
243.02933	4.6
245.04483	5.7
247.02548	3.2
259.02472	3.6
261.04041	14.9
271.02432	8.2
287.01987	19.4
289.03564	12.9
297.00296	2.5
305.02982	1.8
315.01489	54.3
316.01929	4.3
333.02521	100.0
334.02869	10.6
347.14798	1.5
409.07648	5.5
437.07095	2.5
509.05710	7.0
509.22171	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	507.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01557	0.5
55.01760	5.5
57.03328	7.3
57.12157	0.5
58.00465	0.9
59.01253	29.3
61.55861	0.5
61.98701	1.0
68.99682	0.7
69.03305	1.1
69.70672	3.7
71.01257	60.4
72.01595	1.4
72.99197	2.6
73.02822	21.5
75.00751	3.1
83.01262	10.3
84.02056	0.6
85.02826	31.9
85.99972	0.6
87.00742	3.9
89.02322	8.8
95.01263	5.6
97.02835	1.9
99.00765	8.8
101.02324	47.3
102.02676	0.6
111.00772	4.5
113.02333	26.9
114.02659	0.6
119.03401	3.0
125.02320	1.6
129.01813	1.6
141.01825	1.3
141.19992	0.5
143.03410	2.5
149.04469	0.5
149.16740	0.5
159.02917	6.9
161.04471	24.3
179.05392	0.5
198.42068	0.5
205.03435	0.7
209.08171	0.7
210.94521	0.6
223.20633	0.7
255.03247	0.6
267.61517	0.6
297.04044	1.6
299.25806	1.8
345.30078	13.8
346.30463	1.7
396.71451	0.5
435.37137	0.6
461.31390	0.7
489.11298	0.7
507.35367	100.0
508.35657	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	509.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.9
59.01245	7.1
63.02257	1.7
65.00195	6.6
67.75554	1.4
68.11407	1.5
69.64764	10.9
71.01255	5.4
72.55836	1.5
72.99177	4.6
73.02827	1.8
73.19222	1.6
75.00745	3.6
81.03303	1.6
83.01266	5.7
85.02821	7.4
87.00773	1.8
89.02339	2.6
95.01259	5.6
99.00771	2.7
99.83628	1.5
101.02300	2.9
103.00253	1.9
107.01279	9.4
109.02823	8.8
111.00751	5.1
113.02319	12.1
113.44349	1.6
113.80248	1.9
115.00249	2.1
119.04907	2.9
121.02843	2.9
123.00771	5.2
124.01536	1.8
125.02327	17.8
126.19541	1.4
127.00336	1.5
127.20414	1.4
129.01857	1.9
133.02864	4.3
135.00787	1.7
137.02359	2.7
137.06023	2.3
139.00246	10.9
141.01860	1.9
147.04390	3.8
149.02290	3.6
151.00270	25.7
152.01033	1.7
153.01842	12.7
154.99745	10.8
159.04417	3.9
161.02341	2.5
161.06039	2.4
163.00218	2.9
165.05505	2.1
166.99771	6.2
168.00505	4.2
169.01335	16.6
171.04425	2.3
173.02315	2.3
174.03062	2.3
175.02379	3.7
175.03905	2.7
177.01888	2.5
178.99765	31.2
180.00252	2.4
180.07834	2.2
187.03903	4.9
189.05545	2.6
191.03255	2.1
193.01366	6.9
193.03371	3.6
194.99231	2.9
195.10139	1.7
199.04008	3.7
203.03471	3.8
205.04930	12.0
213.01808	1.9
215.03439	6.2
217.01402	2.2
217.04953	4.2
217.79591	1.4
222.98853	4.7
229.01521	2.0
231.03021	1.8
233.04536	37.3
243.02977	6.3
245.04532	6.2
247.02458	4.3
259.02481	3.7
261.03943	16.9
271.02490	7.6
272.68109	1.7
287.01978	18.4
289.03458	14.2
290.03906	2.8
297.00333	2.9
313.05655	3.0
315.01474	44.7
316.01953	4.0
333.02490	100.0
334.02911	10.1
369.04282	1.7
409.07718	13.0
437.07346	2.4
509.05499	6.0
509.16663	18.0
509.29623	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	509.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	4.6
57.03322	5.5
59.01247	15.7
63.02267	4.2
65.00198	13.0
69.43402	16.0
71.01260	19.2
72.99173	16.1
73.02832	3.1
75.00751	8.6
81.03325	2.9
83.01274	7.3
83.91169	1.9
85.02823	23.4
87.00765	4.3
89.02312	5.6
93.03360	10.9
95.01281	10.7
96.99199	4.2
98.19820	4.1
99.00765	11.2
101.02333	3.6
103.00241	5.4
107.01277	8.2
109.02816	12.3
111.00773	12.4
111.22055	2.2
113.02336	24.7
113.07307	2.0
117.03353	4.1
118.30352	2.3
119.04933	3.7
121.02859	5.3
123.00765	7.4
123.04443	4.7
124.98729	8.1
125.02346	16.3
127.00286	9.8
129.01816	4.5
133.02859	3.2
135.04439	6.6
136.98705	3.2
137.02356	11.4
139.00288	23.1
141.01813	2.7
143.04988	3.8
145.02876	3.6
147.04446	4.7
149.02338	4.8
151.00290	23.5
151.03914	6.5
153.01814	13.4
154.99770	100.0
156.00113	2.6
157.01282	3.7
159.04422	6.2
161.02351	2.9
163.00311	2.2
163.03824	2.1
165.01849	4.7
166.99786	17.4
169.01344	6.5
171.04381	3.2
173.02205	2.2
174.07744	2.1
175.02446	4.2
175.03888	2.9
177.01846	7.0
178.99789	23.2
180.97714	14.6
181.01280	4.7
185.00848	5.9
187.03976	6.6
189.01874	3.2
191.03456	5.0
193.01379	10.5
193.03206	10.3
194.99254	12.2
195.99730	2.4
201.01805	3.5
203.03453	6.2
205.01471	2.3
205.05013	6.8
209.00841	5.9
209.11758	8.0
213.00322	9.3
215.03511	4.8
219.03041	4.1
222.98737	3.2
227.03433	3.5
231.03148	2.1
233.04527	25.3
241.01486	2.1
241.04967	2.4
243.02933	6.5
245.04498	4.7
247.02365	4.1
259.02521	4.7
261.04071	11.0
269.04562	6.2
271.02527	8.3
285.04056	7.3
287.01959	23.0
289.03583	13.2
297.00821	3.6
297.03900	11.4
309.06070	4.3
315.01450	40.5
315.05106	9.7
316.01819	3.0
327.07169	5.1
333.02512	69.5
333.05908	3.1
334.02835	6.5
339.58383	1.9
371.06107	2.8
389.03394	3.8
408.78714	2.3
409.07828	4.2
437.07132	2.4
449.42691	2.1
477.19791	17.7
509.05573	8.0
509.22290	10.4
510.06393	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	507.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12352	0.7
55.01752	3.2
57.03331	6.4
57.47491	0.7
58.00456	3.3
59.01255	39.7
61.98700	2.0
65.83410	0.7
69.03331	1.5
71.01257	55.7
71.13831	1.7
71.14172	0.8
72.99198	4.0
73.02823	11.4
74.00143	0.8
75.00739	1.2
78.95786	1.4
83.01254	7.3
85.02827	23.6
85.99936	1.1
87.00753	2.6
87.04388	1.4
89.02321	23.1
95.01257	3.7
97.02834	0.8
98.58530	0.7
99.00773	4.3
101.02325	39.1
102.02676	0.7
103.31300	0.7
108.75426	0.7
111.00777	2.9
113.02333	20.9
119.03397	13.3
125.02316	1.0
127.70419	0.8
131.03343	1.0
141.12776	1.0
143.03406	2.6
149.04396	0.9
159.02910	2.5
161.04478	9.3
176.85995	0.8
179.05571	3.2
241.21782	4.2
255.23177	1.3
299.25842	1.7
313.98627	0.7
325.97894	0.8
333.58676	0.9
343.28632	0.8
345.30093	24.6
346.30402	1.7
437.94113	0.8
489.34323	1.3
507.35373	100.0
508.35770	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	507.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33012	0.7
50.94644	0.7
52.47886	0.7
55.01762	5.5
57.03328	7.7
57.80011	0.8
58.00473	4.5
59.01252	66.6
69.03324	1.4
69.35073	5.2
69.35502	2.2
71.01254	100.0
71.52048	0.8
72.01600	1.1
72.99181	5.7
73.02823	21.4
75.00759	1.0
78.70394	0.7
78.95776	5.1
83.01263	11.7
84.02063	0.9
84.49991	0.8
85.02825	38.9
87.00755	7.8
89.02319	46.2
95.01259	6.4
97.02810	2.2
99.00756	9.3
99.84085	0.9
101.02326	67.3
102.02645	1.2
105.74943	0.8
111.00753	1.1
113.02335	39.2
114.02717	1.5
119.03397	23.4
121.91935	0.7
123.08054	0.8
125.02332	2.7
127.11228	1.3
129.01865	1.5
131.03423	2.7
141.12784	2.1
143.03383	6.6
149.04443	2.6
150.11490	0.7
152.99460	1.9
155.10687	1.5
159.02884	6.1
161.04472	27.0
171.13812	2.8
179.05544	9.3
185.15523	1.3
201.14764	1.8
299.25922	0.9
327.29315	0.8
343.28513	3.2
345.30093	70.5
346.30429	6.0
412.56973	1.0
420.18228	1.1
490.26105	1.4
507.35367	61.5
508.35739	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	4.6
57.03326	5.0
58.00475	1.7
59.01253	39.2
64.28714	0.5
68.99700	0.6
69.03322	1.2
69.32452	5.4
71.01256	68.7
72.01593	1.1
72.99183	3.3
73.02818	19.6
75.00751	3.6
78.95788	0.8
81.03339	0.9
83.01255	9.2
85.02826	32.6
85.99982	1.0
87.00737	3.5
89.02319	19.4
90.02654	0.7
91.27132	0.6
93.04349	0.5
95.01269	6.3
96.21431	0.5
97.02818	2.7
99.00757	8.8
101.02328	46.1
102.02694	1.1
109.02830	5.9
110.64108	0.6
111.00759	4.4
113.02333	29.5
114.02677	0.6
119.03397	5.1
121.02875	0.8
125.02342	3.7
129.01822	1.3
129.45541	0.5
131.03429	1.8
135.04468	0.7
137.02383	2.0
139.00272	0.8
141.01880	0.7
143.03395	3.6
149.02367	0.9
149.04456	3.3
151.03891	0.8
159.02892	5.1
161.04465	22.7
162.04752	0.8
163.03940	1.0
167.10716	1.3
169.01318	1.4
171.66617	0.6
177.01909	1.3
179.05540	1.2
181.05911	0.5
193.05081	0.5
193.08640	1.2
205.03500	1.1
209.07982	0.8
211.13321	6.0
215.03410	0.7
233.06628	1.1
241.05023	0.6
253.09186	1.4
269.04532	0.6
285.04050	3.9
285.11322	1.3
293.08878	1.4
299.09372	2.7
299.25928	2.4
300.06461	1.7
303.08682	0.5
315.08780	3.8
327.08832	1.9
330.11218	3.0
345.09393	1.2
345.13443	15.1
345.30136	12.5
346.13675	1.8
346.30469	1.7
382.09134	0.6
411.08200	0.6
477.19092	1.2
490.73318	0.6
507.24948	3.4
507.35382	100.0
508.35788	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	507.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64220	0.3
59.01259	1.6
59.81192	0.3
70.79280	0.5
74.99368	0.3
77.83968	0.3
89.02341	0.6
91.03896	0.9
93.03324	0.3
117.03350	19.0
118.03630	0.6
119.04921	32.0
120.05264	1.3
121.02841	3.7
122.03167	0.3
123.04406	1.2
133.02850	0.9
134.03683	0.4
141.12822	0.3
145.02858	100.0
146.03201	4.9
162.03151	1.1
163.03920	21.8
164.04213	0.8
237.07539	0.4
255.60799	0.3
263.37357	0.3
269.21219	1.5
270.21667	0.3
285.20844	0.3
287.22293	8.0
288.22723	0.6
327.99625	0.3
347.25797	0.6
415.24915	16.0
416.25357	2.9
433.25940	21.2
434.26160	3.1
489.45667	0.3
507.29636	63.8
508.29922	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	507.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.7
69.70154	0.6
69.70570	1.0
71.01249	0.8
78.95800	0.3
87.78492	0.3
89.02320	0.6
91.03893	1.3
98.19798	0.6
117.03352	21.3
118.03577	0.5
119.04919	33.4
120.05254	1.1
121.02853	4.0
123.04395	1.2
125.65233	0.3
133.02827	1.0
141.12729	0.3
145.02858	100.0
146.03201	4.0
152.99487	0.4
162.03108	0.9
163.03918	22.0
164.04318	1.3
209.11714	0.4
223.13324	0.4
246.73637	0.3
269.21231	1.5
287.22275	7.5
288.22586	0.6
292.36526	0.3
415.24878	15.3
416.25262	2.2
433.25943	19.7
434.26355	2.5
507.29630	59.8
508.29999	9.6
533.96814	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	3.8
57.03328	5.3
58.00462	3.7
59.01254	91.2
60.01598	0.8
61.98698	1.1
69.35318	0.9
69.35667	8.4
71.01257	100.0
72.01595	1.3
72.99184	6.7
73.02823	15.2
83.01256	8.6
85.02826	30.9
87.00745	5.0
89.02321	67.2
95.01266	7.8
96.95916	1.1
97.02821	1.4
99.00764	6.6
101.02323	64.0
102.02687	1.0
111.00779	1.0
113.02333	42.4
114.02696	1.1
119.03391	32.5
125.02335	2.1
127.11173	1.1
131.03395	4.3
137.09622	1.3
138.42010	0.8
141.12737	1.2
143.03403	7.7
149.04453	1.9
159.02934	4.1
161.04477	23.3
162.04799	0.8
166.78323	1.0
171.13834	3.2
179.05524	10.0
201.14926	0.8
230.08690	0.9
230.83830	0.9
343.28595	1.7
345.30084	50.9
346.30319	5.3
433.09091	1.1
452.59653	0.9
463.13815	1.0
507.35367	49.8
508.35822	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	507.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15578	0.7
55.53535	0.8
59.01252	13.4
71.01250	3.7
71.14718	1.4
73.02824	0.8
75.43221	1.0
77.19750	0.8
79.34884	0.7
83.37347	0.6
85.02823	2.1
88.34655	0.7
89.02308	2.5
89.55161	0.7
101.02332	3.0
109.02872	0.7
111.51237	0.7
113.02327	1.5
119.03358	1.5
121.02789	0.8
123.00717	0.8
126.49629	0.8
137.02371	1.5
161.04442	1.6
183.13840	5.4
193.12254	1.2
199.66063	0.8
211.13338	100.0
212.13669	6.9
253.09250	12.9
303.12222	2.3
327.05072	1.6
345.06195	2.3
447.22324	3.4
507.11569	1.2
507.26309	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	1.6
61.17126	0.7
71.58843	1.2
72.81298	0.7
78.07111	0.7
78.95782	18.2
96.96861	1.0
97.19868	0.7
121.37862	0.8
135.12759	0.7
144.55130	0.8
152.98305	1.7
152.99500	23.9
161.02330	1.4
171.00583	1.6
227.03264	3.6
230.99274	0.8
245.04381	0.8
279.23297	100.0
280.23663	10.3
281.24866	2.2
282.25214	5.9
384.10391	0.8
507.27267	33.1
508.27557	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	507.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58492	1.8
78.95779	32.5
79.12425	1.0
96.96834	3.2
110.60118	1.0
152.99498	37.5
158.16780	1.2
172.59106	1.1
208.90329	1.1
224.06801	1.7
227.03181	4.9
245.04213	1.3
275.64636	1.3
279.23303	100.0
280.23581	10.3
281.24948	10.7
282.25238	17.2
305.39676	1.2
433.23337	3.8
507.19861	2.6
507.27057	40.7
507.33124	4.2
508.27390	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	507.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59497	1.0
55.01758	1.2
55.93478	1.0
57.03326	7.7
59.01249	39.5
61.48882	1.0
69.03317	1.6
71.01249	29.8
71.11450	2.4
72.01566	1.5
72.99179	5.9
73.02806	4.4
75.00744	34.6
83.01243	4.6
85.02820	37.3
87.00754	9.2
87.27061	0.9
89.02320	7.6
95.01274	5.7
97.02837	1.1
99.00751	15.2
101.02331	7.4
102.80117	1.0
105.72031	0.9
111.00754	4.3
113.02328	37.8
115.00263	1.8
117.01820	2.5
119.03382	1.6
125.02338	4.2
129.01817	1.5
150.43958	1.1
151.00262	1.5
152.73160	1.0
157.01334	3.6
161.04498	1.8
175.02364	5.3
193.03467	2.0
197.86679	1.1
201.11270	4.4
301.03641	1.8
303.04144	1.3
335.06189	1.1
403.19629	1.5
447.18872	5.1
447.24994	1.2
465.19830	6.7
507.20834	100.0
507.27243	5.2
508.21191	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	507.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.8
57.03317	4.8
57.08679	0.6
59.01254	32.0
60.01592	0.7
67.01753	1.1
68.99656	0.9
69.03336	0.8
71.01258	26.7
71.60543	0.7
72.19046	0.6
72.99187	4.6
73.02828	4.4
75.00750	32.6
78.22549	0.5
79.42877	0.6
80.36669	0.5
81.03337	0.7
83.01258	3.1
83.13204	0.6
85.02829	31.3
85.73939	0.5
86.27913	0.6
87.00761	8.5
89.02319	3.5
91.01754	0.9
95.01268	6.4
97.02826	1.5
99.00765	11.2
101.02327	6.8
103.00269	1.4
109.02860	2.6
111.00792	1.9
112.01558	1.1
113.02337	30.8
114.02671	0.8
115.00274	2.5
117.01772	1.4
119.03385	0.8
121.02859	1.7
123.00777	3.7
123.04459	0.8
124.01542	0.7
125.02320	2.9
129.01820	1.6
131.03412	1.0
135.00737	0.7
135.04399	1.1
137.02386	1.8
138.03120	1.2
139.00284	1.3
139.03928	1.2
139.04964	0.7
149.02353	8.0
151.00284	0.8
153.01865	2.5
156.38940	0.6
157.01346	1.2
161.04477	1.9
162.03099	0.6
165.01910	0.7
165.05490	0.7
166.02742	1.2
167.01706	0.6
167.03409	0.7
168.00632	0.6
169.06528	0.7
173.04529	1.0
175.02431	4.2
175.03854	1.0
177.01898	1.3
177.05533	1.1
181.05031	1.2
190.02663	0.7
191.03432	1.4
192.04196	2.6
193.01425	0.9
193.04974	0.7
205.05096	1.0
207.06560	3.2
218.05890	1.1
219.06534	0.8
223.06126	0.9
257.17902	0.7
289.16510	3.4
325.07312	0.7
342.07309	0.7
343.11801	0.7
345.09790	5.6
357.10004	1.9
359.11197	0.6
403.19812	3.6
408.32486	0.6
417.12039	2.2
432.14334	2.1
447.18890	2.0
465.19928	2.5
465.26453	0.7
477.14096	3.5
492.16452	6.7
507.20453	100.0
508.21054	13.8
508.28629	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.9
55.11541	0.5
57.03321	6.9
59.01248	46.4
60.01598	0.6
61.46590	0.4
67.01736	0.6
68.99668	1.1
69.03321	0.9
69.25236	5.7
71.01251	32.1
72.99173	6.6
73.02818	6.8
75.00742	39.6
76.01070	0.6
83.01255	4.0
84.02035	1.0
85.02821	43.8
86.03162	1.1
87.00749	12.0
89.02312	3.0
95.01257	5.2
97.02824	1.1
98.19743	0.9
99.00750	14.0
101.02329	7.3
103.00261	1.4
109.02817	2.3
111.00764	1.7
112.01566	0.9
113.02327	46.7
114.02636	1.0
115.00249	2.8
116.00993	0.5
117.01833	2.3
123.00758	0.5
125.02332	2.2
127.11208	0.5
129.01843	2.5
131.03392	0.5
135.04416	0.5
137.02377	0.4
141.38774	0.6
143.03423	0.7
155.31830	0.4
157.01372	2.6
159.02835	1.2
161.04475	3.1
165.05446	0.5
166.59561	0.4
169.01270	0.6
175.02432	4.7
181.04869	0.5
243.14525	0.5
263.02435	0.5
287.48938	0.5
289.16516	4.0
301.03430	0.5
303.04041	0.7
361.16574	0.5
377.07275	0.6
403.19720	4.4
421.20728	0.8
435.27557	0.4
447.18732	1.6
489.19702	0.8
507.20804	100.0
507.27158	3.9
508.21140	13.8
508.27606	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71611	0.5
59.01252	100.0
60.01606	0.8
70.15285	2.0
71.01263	3.0
73.02848	0.5
78.95773	2.5
79.74193	0.4
83.01263	0.8
85.02856	1.3
89.02332	1.2
101.02344	1.6
106.06373	0.5
112.08420	0.4
113.02380	1.0
121.02834	2.4
122.03281	0.4
151.03909	0.6
161.04532	1.5
212.04848	1.5
225.26108	0.5
227.07152	0.9
240.04286	3.7
255.03165	0.5
255.04221	0.6
255.06636	4.8
256.07092	0.5
269.04590	1.2
270.08966	29.2
271.09296	2.3
285.11325	40.1
286.11703	3.3
297.04181	1.3
298.04852	0.8
304.14758	0.5
399.47586	0.6
507.16708	1.8
507.24179	0.7
507.35376	1.1
508.26962	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.6
57.03328	5.7
58.00466	1.0
59.01252	15.8
68.99687	0.8
69.03336	0.9
71.00849	0.7
71.01254	26.2
72.99178	4.3
73.02813	4.0
75.00750	26.8
83.01260	4.9
85.02827	30.1
86.03160	0.7
87.00751	8.2
89.02313	4.5
94.87956	0.7
95.01261	5.6
97.02836	2.1
99.00754	10.2
101.02327	6.2
103.00235	1.3
107.01278	3.2
108.04414	8.9
109.02825	0.8
110.25651	0.7
111.00755	6.2
113.02334	31.7
114.02666	1.4
115.00256	2.2
117.01822	1.8
117.19843	0.6
119.03346	1.3
123.00777	4.0
124.01518	0.7
125.02335	25.7
129.01830	2.3
131.03365	0.8
134.03616	3.7
137.02367	1.3
139.00302	2.2
140.01044	1.0
141.01817	1.1
149.02382	0.7
149.06017	1.9
150.05508	3.3
151.00256	3.4
151.03926	1.2
157.01361	1.6
159.02858	1.0
161.04454	1.5
166.99838	0.8
168.00555	1.5
169.01341	33.4
170.01711	1.1
175.02432	3.5
178.02641	2.7
193.05026	3.2
300.99872	1.5
313.05646	16.4
331.17502	0.8
335.06235	4.4
464.11942	17.9
507.11707	9.7
507.20798	100.0
508.12955	1.7
508.21143	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	507.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30131	0.3
55.01756	1.4
57.03325	6.3
58.00463	1.1
59.01252	51.0
60.01575	0.6
67.01780	0.5
68.99682	1.6
69.03338	1.3
70.24232	1.2
71.01254	36.1
72.01572	0.5
72.99182	7.5
73.02821	5.1
75.00747	48.1
76.01095	0.5
83.01257	4.1
84.02084	0.6
85.02824	43.9
86.03173	0.8
87.00753	11.2
89.02317	9.5
93.31293	0.4
95.01269	4.4
97.02831	1.2
99.00758	15.2
100.01085	0.6
101.02327	8.0
103.00272	1.0
106.06454	0.3
109.02800	0.5
111.00771	1.1
112.01588	1.0
113.02332	44.3
114.02675	1.4
115.00253	3.8
117.01816	2.6
119.03391	3.1
121.02872	0.4
125.02348	1.6
128.98637	0.3
129.01833	1.6
130.99773	0.4
131.03403	1.4
135.04395	0.5
138.75630	0.3
139.00293	0.5
140.56868	0.3
143.03410	0.5
149.04422	0.5
157.01323	2.3
161.04440	0.6
163.03995	0.4
173.04469	2.4
175.02402	4.8
179.05569	0.7
182.03571	0.3
191.05608	0.8
285.07776	0.8
312.36026	0.4
320.31500	0.3
385.18539	0.5
389.18301	0.9
403.19800	3.2
404.20184	0.5
421.20749	0.5
447.18643	1.5
447.25015	0.4
465.20432	0.4
465.27057	0.9
489.19897	0.7
507.20822	100.0
508.21167	13.8
508.27853	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	2.4
69.88667	10.2
70.00834	2.3
71.01270	5.6
75.00748	28.6
78.95787	4.4
79.46771	2.0
85.02837	2.0
87.00752	9.7
96.95867	3.9
96.96855	7.4
98.70215	2.1
99.00774	2.3
103.00290	2.2
104.18082	1.7
105.01827	13.6
115.00256	2.7
129.01871	4.1
139.81062	2.3
165.03964	100.0
168.97849	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	507.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48891	2.9
59.01255	25.7
61.98701	5.7
69.47142	13.9
69.47569	14.2
71.01246	13.1
73.02836	4.2
78.95737	5.1
85.02818	8.8
89.02315	5.6
90.75072	2.9
95.01285	9.0
98.19842	7.3
101.02297	10.4
113.02327	4.9
123.00761	24.9
123.52576	3.0
125.02318	6.0
132.02034	3.3
134.03532	3.4
138.03027	2.9
147.00758	5.3
159.04434	7.7
161.02313	6.7
165.01901	4.5
175.03902	8.4
213.05397	4.3
221.06068	3.7
225.05537	4.4
235.03879	5.0
237.05582	8.0
239.03378	3.6
240.04341	4.7
253.04988	7.1
255.06540	4.5
264.04187	3.7
265.04987	8.4
266.02063	4.0
266.05814	3.9
267.02896	6.6
267.06653	3.6
268.03705	8.1
269.04343	7.1
280.03891	4.6
281.04587	16.7
282.05283	36.3
283.06091	33.9
284.06384	3.8
293.04416	6.2
295.06134	5.8
296.06857	6.6
297.07690	29.6
298.08466	12.1
307.06244	3.9
310.04947	9.6
311.05634	10.8
311.09274	7.5
325.07114	5.5
326.07916	21.6
331.05927	4.1
340.09796	5.8
341.10297	76.3
342.10635	7.8
345.07666	5.6
345.30112	3.7
361.07166	7.5
373.07083	9.1
377.67834	3.7
385.07022	7.5
389.06696	6.7
399.04749	5.0
401.06729	9.6
404.08911	4.9
412.05890	5.6
413.06406	15.3
414.07291	7.5
416.09088	4.3
417.06076	10.7
418.06189	5.1
419.11288	4.9
421.79987	3.5
428.08942	11.9
429.06049	10.7
432.08420	30.5
443.11240	6.5
444.08234	20.8
446.10059	7.3
447.10846	57.5
448.11176	8.1
457.12918	4.7
458.13666	6.7
459.10751	42.8
460.10995	5.8
462.13242	22.5
474.13058	38.0
477.15344	79.5
478.15930	10.1
479.17227	6.6
489.15524	81.9
490.15775	15.0
492.14282	32.3
507.16635	100.0
507.24332	3.2
507.35010	19.2
508.17047	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	507.0781
Annotation	Patuletin 3-glucuronide
Peak:m/z	Relative Intensity
50.42115	0.4
57.03320	1.2
59.01254	5.1
60.07070	0.4
63.02267	0.8
64.18700	0.4
65.00192	2.1
65.52319	0.4
68.25079	0.4
69.31264	3.0
69.31698	1.9
70.42138	0.4
71.01257	5.8
72.99192	0.5
75.00739	1.9
75.69563	0.4
76.69350	0.4
83.01264	1.9
85.02829	4.3
87.00746	1.1
95.01270	1.4
97.53336	0.6
99.00740	1.7
101.02315	0.7
103.00261	0.7
107.01271	4.3
109.02844	1.1
113.02338	4.2
117.01824	0.6
119.01302	0.8
123.00758	1.0
124.01543	1.9
125.02369	4.6
136.01544	2.1
139.00246	0.9
139.03867	0.5
142.01779	0.4
149.02367	1.0
151.00276	14.6
151.03859	2.5
152.01099	2.6
163.00281	3.7
164.01105	2.6
165.01813	1.2
169.01349	4.3
175.02365	1.8
175.03822	0.8
177.01857	0.7
178.99788	9.9
180.00221	0.6
187.03940	0.5
191.03433	0.6
199.03987	0.5
203.03491	1.0
204.04163	0.8
214.02708	2.6
215.03329	0.8
227.03432	1.0
232.03616	0.9
242.02223	2.9
243.02913	2.7
243.84750	0.5
255.02878	0.8
259.02405	4.5
260.03159	1.6
270.01642	3.9
271.02481	18.3
272.02838	2.2
285.04147	0.9
287.02005	11.0
288.02469	2.5
298.01074	0.9
299.01974	1.1
303.04861	1.3
303.08707	1.3
313.03564	0.8
315.01367	0.5
316.02252	32.9
317.02487	2.2
331.04590	100.0
332.01181	0.8
332.04916	9.4
391.78091	0.5
507.07547	8.1
507.19312	2.3
508.08142	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53798	0.9
55.01738	1.8
57.03318	4.4
58.00465	1.3
59.01254	16.3
69.03329	2.8
70.04887	4.2
71.01254	30.5
72.99180	3.9
73.02830	4.9
75.00750	25.6
83.01262	5.1
84.02048	1.0
85.02828	33.9
87.00763	7.4
88.03916	4.1
89.02314	5.5
93.03289	1.2
95.01256	4.4
97.02834	2.9
98.20453	1.3
98.77012	1.0
99.00769	10.0
101.02332	6.5
107.01289	9.6
109.02846	2.0
111.00788	6.0
111.51471	1.0
112.01585	1.3
113.02331	30.6
115.00261	4.5
117.01857	1.5
121.02876	1.4
123.00787	7.6
125.02343	60.7
126.02709	1.7
129.01860	2.1
134.03627	22.3
135.04431	3.4
137.02344	6.4
139.00273	2.4
139.03848	1.3
140.01100	1.8
141.01881	2.0
147.47322	1.0
148.72621	1.1
149.02350	2.3
149.06020	8.7
150.03139	4.5
150.06253	1.0
151.00287	7.7
151.03595	1.5
159.02969	1.4
161.02376	1.8
161.04539	1.6
165.05450	4.1
166.05803	1.7
168.00594	3.4
169.01352	80.3
170.01707	1.9
175.02367	3.7
178.02669	19.1
179.03409	4.6
183.02939	1.1
193.03320	1.9
193.05014	28.4
195.06596	2.0
211.02376	1.9
285.03998	1.4
313.05667	51.6
314.06070	2.4
335.06207	2.2
392.14520	1.1
463.12238	1.8
507.11404	85.6
507.20758	100.0
508.11954	8.1
508.20847	5.1
529.97150	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.2
57.03312	2.6
58.00458	1.1
59.01252	22.8
61.98708	1.6
62.62398	0.6
65.00188	2.2
68.99677	0.7
69.03339	0.6
71.01256	20.0
71.40498	1.0
72.99167	1.4
73.02825	4.5
77.24805	0.6
78.95777	1.6
81.03333	7.3
83.01265	4.5
85.02817	7.8
87.00758	0.9
88.47205	0.6
89.02323	14.0
90.02634	0.8
95.01259	1.9
97.02785	0.8
99.00768	3.6
99.08037	2.2
101.02323	12.5
101.05946	0.8
102.02648	0.7
107.01274	1.3
109.02840	16.5
111.00741	1.1
113.02347	6.2
119.03387	3.5
121.02857	1.0
123.08028	4.6
124.01525	0.9
125.02348	20.6
125.05984	7.1
125.22222	0.7
131.03381	1.4
136.05206	1.8
137.02330	1.2
143.03421	0.7
149.02362	2.3
149.04442	2.6
151.00247	1.2
151.03920	1.0
152.01028	2.6
153.01852	24.1
153.99423	0.5
159.02919	1.3
161.02351	0.7
161.04477	2.8
165.09131	43.5
166.09537	1.3
177.01817	0.7
179.05544	1.9
179.07004	0.6
180.04181	0.7
182.03596	0.6
191.05450	0.9
191.07053	2.0
193.08670	0.7
195.02916	8.4
196.03252	0.6
199.04028	0.6
201.05452	0.6
209.08145	100.0
210.08478	5.3
215.07077	1.4
223.09727	1.5
230.09399	0.7
233.08185	15.5
234.08690	0.8
241.73344	0.6
251.09190	2.6
255.02919	0.7
255.05128	4.1
269.04843	0.6
275.09290	1.5
282.01636	0.6
297.06293	11.5
344.28860	1.2
345.30090	2.2
369.09903	0.7
423.09698	1.2
475.10315	1.3
477.11630	0.7
506.26901	0.7
506.33743	3.2
507.15115	83.8
507.22177	4.4
507.35141	13.2
508.15363	10.3
508.22253	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	14.7
65.00212	4.4
65.99707	3.5
66.29068	3.7
70.97424	8.2
71.01247	9.4
75.41672	3.2
77.14439	3.2
83.01255	4.3
85.02822	8.9
87.00741	5.2
93.03358	6.6
95.01270	8.6
97.02873	3.7
101.02290	5.9
103.13993	3.1
107.01252	6.8
108.01347	6.1
108.02041	51.8
109.02840	30.9
111.00779	9.5
113.02299	4.2
115.00281	4.2
118.02883	8.8
121.02842	11.8
123.00757	13.9
123.04398	5.7
124.01563	4.7
125.02324	32.4
126.88945	3.2
134.02379	4.7
134.03531	4.2
136.98700	4.9
137.02335	22.1
139.00267	11.7
140.01054	13.0
146.02368	15.0
147.03142	13.1
149.02315	6.6
150.03119	8.9
151.00233	6.7
151.03931	7.5
152.01068	60.4
153.01839	22.7
161.02405	4.3
162.01926	6.0
163.00278	10.7
163.02658	5.7
164.03462	7.6
165.01855	9.2
165.05453	8.5
166.99773	4.4
168.00589	28.1
169.01341	48.1
175.02290	3.7
177.01796	4.0
180.99965	4.3
181.01363	19.8
190.01375	33.5
191.02087	14.1
208.02397	7.8
211.02443	11.0
220.67793	3.2
227.03468	4.2
232.99561	4.6
256.36996	3.3
271.04645	6.5
297.06009	5.2
301.03687	3.8
313.05670	7.2
315.07248	29.7
354.08319	6.7
422.08545	10.7
435.09460	10.4
439.08667	8.9
452.10358	3.7
462.10324	43.3
466.07492	86.6
467.08005	10.8
484.45288	3.6
488.08255	11.8
506.09402	100.0
506.16290	16.4
507.09866	12.9
507.16943	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	506.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	6.1
59.01260	13.2
64.66220	1.6
71.01249	10.9
71.04889	4.3
71.57899	3.5
73.02814	4.0
78.95783	23.6
83.04897	3.5
85.02815	3.5
85.06446	1.9
89.02303	2.6
101.02326	7.5
109.06472	3.3
111.04406	4.4
113.02309	3.5
117.36861	1.7
119.03390	2.5
125.02265	2.5
140.01064	7.2
152.83432	1.8
152.99493	2.5
161.04568	2.2
179.14343	3.9
193.85448	1.8
195.13806	14.1
196.03723	4.2
205.12286	2.4
214.04718	7.6
221.15443	13.6
222.15709	2.2
223.13397	12.1
239.16461	5.8
291.19687	30.9
292.20148	2.5
297.03839	2.2
306.10846	2.2
309.20715	100.0
310.21051	7.9
332.92581	1.7
347.92737	2.0
436.66318	2.4
499.33789	1.8
505.33948	3.2
506.25235	45.2
506.33936	10.0
507.25644	8.4
507.34668	3.9
518.12549	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	505.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46988	1.2
55.01761	5.0
57.03328	7.6
58.00480	2.7
59.01255	65.4
61.98708	2.3
69.03339	1.9
70.77759	4.1
71.01258	84.8
72.99183	4.1
73.02823	24.9
78.95782	9.5
83.01260	11.9
85.02823	34.3
87.00761	23.7
89.02328	23.3
95.01271	5.8
97.02844	1.9
99.00775	9.8
101.02327	59.9
109.02859	1.3
111.00774	3.6
113.02327	33.6
114.02660	1.8
119.03414	11.7
121.02857	1.7
125.02374	2.2
127.11178	2.2
129.01819	3.2
141.12711	2.3
143.03400	3.9
152.99495	10.8
155.10725	2.5
159.02898	9.2
161.04480	23.6
169.12216	1.7
179.05594	1.9
183.13846	2.6
201.14963	2.3
209.11757	1.6
215.16397	1.7
230.15300	1.7
243.02991	1.8
253.21758	1.7
255.02997	4.7
270.84641	1.7
271.02411	8.0
300.02750	15.9
301.03375	7.2
304.15527	1.3
343.28534	51.4
344.28891	5.2
360.38260	1.4
375.41080	1.3
505.09924	7.5
505.33878	100.0
506.34048	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	505.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	0.6
55.01754	7.5
57.03333	5.0
58.00465	1.5
59.01253	39.1
59.32313	0.6
67.01764	0.6
67.13901	0.6
68.99662	0.7
69.03310	0.8
69.21622	0.6
71.01254	66.6
71.38515	0.7
71.38863	0.9
72.01618	0.8
72.44730	0.6
72.99196	2.1
73.02822	24.7
75.00742	1.7
82.79543	0.6
83.01262	12.2
83.01768	0.8
84.02048	0.8
84.04369	0.6
85.02825	36.5
85.87956	0.6
85.99969	1.4
86.94990	0.7
87.00750	2.8
89.02322	12.4
95.01270	5.7
96.94424	0.6
97.02850	2.3
99.00758	8.8
101.02326	50.9
108.33881	0.8
111.00748	5.4
113.02331	30.4
119.03413	3.9
123.07916	0.6
125.02361	2.5
129.01801	1.4
131.03444	0.8
141.01849	1.2
143.03374	3.2
149.13240	1.7
155.50215	0.7
157.12231	4.0
159.02901	6.1
161.04462	21.4
161.05814	1.1
171.13783	1.1
179.05528	0.8
255.03056	1.4
271.02582	1.4
292.90262	0.7
300.02695	3.2
301.03250	1.4
343.28528	14.9
344.28763	1.4
475.32721	1.5
487.32718	1.2
505.09665	1.8
505.33853	100.0
506.34137	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	505.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66206	1.0
55.01750	4.2
57.03333	6.2
58.00462	2.3
59.01253	79.9
60.01610	1.2
69.03292	1.4
70.01138	3.8
70.01551	1.6
71.01255	100.0
72.01589	1.1
72.99191	5.9
73.02824	17.2
75.00758	1.2
78.95782	8.1
83.01244	8.2
84.02046	1.9
85.02828	33.6
87.00744	3.8
89.02318	47.6
95.01270	7.6
97.02826	2.1
99.00770	7.6
101.02326	56.2
102.02678	1.2
111.00778	1.8
113.02333	40.8
119.03389	20.3
121.02831	1.2
125.02337	2.3
127.11227	1.3
129.01820	2.1
131.03392	1.3
141.01637	1.2
141.12752	1.4
143.03394	5.1
151.00327	2.0
152.99489	2.2
154.91533	1.2
159.02936	5.0
161.04469	28.0
161.05821	1.5
169.12280	1.7
171.00557	1.7
179.05554	5.7
179.53728	1.1
183.13817	2.4
201.29344	1.1
209.11787	1.7
229.17996	1.4
243.02783	1.2
253.21640	1.9
255.02942	5.1
271.02423	6.5
288.98859	1.2
291.19727	1.6
299.25989	1.4
300.02808	10.8
301.03464	3.5
302.84747	1.1
309.20782	1.1
343.03915	1.1
343.28537	41.4
344.28870	4.3
505.09903	4.8
505.33878	62.2
506.10388	1.5
506.25500	3.6
506.34229	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	505.302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	2.1
59.01253	17.0
68.99695	1.3
69.03311	1.1
71.01257	17.9
72.99184	5.4
73.02831	1.5
75.00748	20.3
77.82803	0.5
83.01296	0.9
85.02345	1.2
85.02827	20.4
85.33253	0.6
87.00751	5.2
89.02328	4.0
89.68224	0.6
95.01254	5.1
99.00150	1.2
99.00757	11.2
103.00238	2.1
113.02338	21.7
115.00258	2.2
117.01814	3.3
129.01849	1.5
138.75774	0.6
145.70255	0.6
157.66109	0.6
160.01884	0.6
175.02419	3.1
205.07103	1.5
231.04955	1.8
249.06145	16.7
250.06427	0.9
255.23279	100.0
256.23627	9.2
267.07199	2.2
445.27722	1.1
487.29245	2.8
505.30200	67.0
506.30530	9.2
526.38684	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29470	0.6
55.01759	1.5
57.03309	2.2
59.00991	0.9
59.01254	14.0
60.23162	0.6
67.01746	0.8
68.99682	1.0
69.03316	1.3
69.53740	1.4
69.54148	3.4
69.64882	0.7
71.01255	15.0
72.99191	5.3
73.02827	1.5
75.00745	15.9
84.79682	0.6
85.02826	17.3
87.00758	6.1
89.02300	3.6
95.01272	4.4
99.00767	9.6
103.00237	2.6
113.02332	26.1
115.00242	2.4
117.01810	2.5
129.01823	2.0
157.01308	1.0
175.02383	4.1
176.95473	0.6
189.03973	0.7
205.07005	0.9
231.05060	1.9
249.03499	1.3
249.06133	22.0
255.23274	100.0
256.23602	9.5
267.07224	3.3
395.73636	0.7
487.29080	2.6
488.29184	1.1
505.30191	81.5
506.30518	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	505.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	15.9
69.03309	1.4
71.01256	20.9
71.57668	2.2
71.58064	1.5
72.99174	6.0
75.00756	17.9
75.21270	1.2
78.95781	8.5
83.01276	1.8
85.02826	21.6
87.00745	8.9
89.02311	4.7
95.01269	5.8
99.00771	10.2
103.00266	2.8
110.83772	1.2
113.02333	33.3
117.01803	3.2
126.74895	1.3
129.01862	1.6
131.03438	1.3
157.01360	1.3
167.00970	1.9
175.02322	4.7
205.07198	1.6
209.93149	1.3
223.08032	1.7
249.06157	9.5
255.23280	87.1
256.23550	8.1
267.07269	8.2
279.23279	25.8
280.23563	2.3
281.24930	3.5
307.26324	3.3
308.26773	8.3
447.25409	7.5
487.28989	2.5
505.30215	100.0
506.22891	1.7
506.30539	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	505.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23898	0.6
55.01766	4.7
57.03327	7.1
58.00454	2.7
59.01254	51.9
60.01612	0.8
61.98722	1.1
69.03341	1.1
69.27319	0.7
71.01258	74.2
71.60049	1.1
72.01601	2.0
72.99185	4.5
73.02824	19.6
75.00764	1.7
83.01265	12.1
84.02039	0.7
85.02831	35.1
85.03353	1.9
86.00012	0.9
86.03165	1.5
87.00751	3.4
89.02321	25.0
95.01261	6.1
97.02843	1.0
99.00743	8.9
101.02326	47.1
102.02663	1.8
111.00774	3.9
112.03582	0.7
113.02337	28.0
114.02698	0.9
119.03391	9.2
125.02356	2.0
129.01819	1.7
131.03377	1.6
143.03410	3.3
143.10695	3.6
149.04472	1.0
150.03120	0.7
151.00267	1.0
159.02904	5.5
161.04474	24.0
162.04790	1.0
179.05521	2.0
223.13326	3.8
224.13678	0.8
243.02869	1.2
253.09250	0.8
253.81924	0.8
255.02936	2.3
271.02521	2.9
283.26062	0.8
300.02689	5.8
301.03497	3.1
301.10983	1.8
313.27637	1.3
343.28488	14.2
344.28995	1.1
505.09885	2.7
505.33847	100.0
506.34137	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	505.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03871	1.7
54.81513	1.4
55.01758	4.1
57.03314	5.1
59.01252	69.8
69.99066	7.0
71.01254	69.8
72.99168	4.9
73.02824	18.4
74.02338	2.1
78.95783	2.2
83.01263	10.8
85.02825	28.8
85.99954	1.7
87.00757	4.3
89.02327	15.4
95.01254	7.3
97.08042	1.4
99.00790	8.7
101.02326	43.9
108.12731	1.8
111.00752	2.2
113.02325	23.4
119.03400	7.5
121.02853	2.7
125.02384	2.7
128.76672	1.6
143.03401	3.7
159.02892	5.0
161.04485	18.2
165.01889	3.4
167.29808	2.2
177.87593	1.6
239.03577	3.1
240.04169	2.0
267.02997	3.2
268.03799	32.3
269.04279	3.8
271.02704	2.0
283.06125	79.6
284.06403	10.2
334.45090	1.7
343.28491	6.9
475.32999	2.3
487.18073	3.0
505.33942	100.0
506.26334	1.6
506.34048	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	505.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	2.1
61.31984	0.4
71.01266	0.6
71.39687	0.5
71.47743	0.5
76.69299	0.5
78.95778	13.7
89.02302	0.5
96.96851	1.3
99.50323	0.4
117.03351	22.6
119.04919	32.1
120.05245	1.0
121.02832	4.7
123.04400	1.1
133.02881	0.8
145.02856	100.0
146.03174	3.4
152.99489	22.3
162.03146	0.7
163.03920	22.1
163.20425	0.4
164.04218	1.0
171.00505	0.9
212.89450	0.5
267.19742	1.5
271.02536	1.4
285.20721	8.9
300.02707	2.7
301.03406	1.1
304.12915	0.5
345.24258	0.6
413.23318	14.5
414.23758	1.9
430.10605	0.6
431.24368	18.7
432.24771	1.8
477.99905	0.5
505.10461	1.3
505.28079	56.8
506.28415	7.6
516.98138	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2809
Annotation	Mucronine A
Peak:m/z	Relative Intensity
54.45411	0.3
58.98547	0.3
59.01250	2.5
59.27599	0.3
63.10036	0.3
67.47444	0.3
70.48586	0.3
71.01244	0.6
78.95778	33.3
89.02299	0.4
91.03882	1.0
96.96832	4.0
117.03354	23.6
118.03660	0.9
119.04919	34.1
120.05246	1.4
121.02853	4.6
123.04412	1.2
133.02858	1.3
134.98050	0.4
145.02858	100.0
146.03183	4.6
150.97926	1.0
152.99493	60.0
153.99864	1.0
162.03131	0.9
163.03926	23.9
164.04256	0.8
171.00540	3.2
188.91577	0.4
243.02933	0.4
246.03848	0.3
255.02893	0.8
267.19647	1.6
271.02530	1.0
285.20731	8.2
286.21039	0.6
300.02771	2.3
301.03339	0.8
333.24301	0.7
345.24493	0.4
413.23331	15.2
414.23593	2.0
431.24377	17.9
432.24768	1.8
505.10477	1.3
505.28073	59.9
506.28412	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	505.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86327	0.5
52.10546	0.4
55.01748	2.2
57.03327	5.5
58.00442	0.5
59.01251	20.4
61.98674	0.9
67.01768	0.5
68.99696	1.0
69.03328	1.3
71.01256	29.7
72.99184	6.1
73.02813	4.0
75.00748	32.6
81.60470	0.5
83.01269	4.0
84.02058	1.0
85.02825	37.3
86.03169	1.0
87.00756	9.5
89.02324	6.4
95.01263	4.5
96.33470	0.4
96.95879	0.6
97.02817	1.7
98.18996	0.5
98.19739	0.9
98.20428	2.5
99.00761	11.3
100.01202	0.5
101.02325	9.3
103.00242	0.7
109.02873	0.8
111.00769	1.0
112.01531	1.1
113.02334	34.8
114.02697	0.9
115.00272	2.0
117.01852	1.3
119.03354	2.5
119.04757	0.4
121.02837	0.8
122.43690	0.5
123.04464	0.9
125.02354	2.2
129.01826	1.3
131.03371	0.6
139.00240	0.5
143.03398	0.6
145.02844	0.9
149.02359	0.8
149.88191	0.5
157.01361	1.1
161.04465	2.1
163.03918	0.7
167.03423	2.1
169.01427	0.6
171.04276	0.4
175.02419	4.1
179.05539	0.6
197.06177	0.5
209.08075	0.5
209.11790	0.5
217.56273	0.5
227.03444	0.8
243.02797	1.0
255.02939	2.1
255.06673	1.0
256.03577	0.5
257.19659	0.6
271.02499	6.2
271.06079	2.0
286.08508	2.2
300.02798	8.2
301.03641	3.7
301.07333	0.7
301.10782	8.0
302.11127	0.8
302.59735	0.4
329.19672	0.6
332.00287	0.5
373.26141	2.7
387.20349	0.5
413.12689	0.5
445.15128	0.7
445.20676	1.2
505.10312	3.5
505.22931	100.0
506.11185	0.6
506.23273	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	505.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	2.6
78.95777	25.6
87.28970	0.5
89.35329	0.5
95.20844	0.4
96.96868	1.7
97.43329	0.5
98.20585	0.9
107.08180	0.5
120.30570	0.6
121.02870	0.6
127.07504	0.5
152.99493	30.4
153.08875	0.5
168.04237	1.7
171.00635	1.5
224.06825	0.6
227.03270	4.8
242.08028	1.3
243.02855	0.6
245.04321	2.6
251.31828	0.5
255.02728	0.6
256.92664	0.5
259.20718	0.6
271.02472	1.6
275.20148	0.9
277.21716	100.0
278.22058	9.1
279.23291	39.3
280.23630	55.5
281.23917	2.6
300.02795	2.9
301.03375	0.6
413.20978	0.7
487.34427	0.8
505.25598	39.3
505.31470	2.2
506.25851	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	505.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.5
70.92450	1.4
71.01253	0.6
78.95779	29.8
79.75867	0.4
86.94811	0.5
93.67041	0.4
96.96839	1.8
101.18685	0.5
107.28477	0.4
150.97923	0.9
152.99501	42.0
153.99841	0.7
171.00566	1.9
227.03233	6.2
233.22763	0.7
245.04315	1.7
277.21725	100.0
278.22043	9.7
279.23282	2.0
280.23566	3.3
300.02725	0.7
312.14383	0.5
382.82324	0.5
413.20941	1.3
505.25732	51.6
506.25964	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	505.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70950	0.3
59.01237	1.3
59.01503	0.2
62.96299	0.3
71.16701	0.3
71.17005	0.4
77.16290	0.3
78.95779	54.9
96.96265	0.6
96.96845	6.8
117.03358	6.7
119.04067	0.4
119.04919	8.2
120.05275	0.3
121.02849	1.1
145.02863	25.6
146.03197	1.0
150.97943	1.8
152.99496	100.0
153.99864	1.6
163.03923	5.7
163.05196	0.4
171.00571	4.7
191.96165	0.3
217.37691	0.3
240.78436	0.3
253.32939	0.3
255.02965	0.4
267.19852	0.6
271.02536	1.2
285.20679	2.1
300.02759	2.2
301.03598	1.0
328.02603	0.3
333.24643	0.9
342.82407	0.3
413.23376	3.3
431.24374	4.7
432.24765	0.6
449.03467	0.3
505.10815	1.4
505.27707	16.7
506.10312	0.3
506.28046	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	505.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48841	0.5
55.01751	1.7
57.03324	1.2
59.00949	1.4
59.01252	28.8
61.28985	0.5
69.03314	0.6
71.01253	16.7
71.38818	1.2
72.99187	1.0
73.02821	4.3
77.22411	0.6
83.01269	2.2
85.02823	8.9
87.00766	2.3
89.02322	8.5
95.01269	1.2
96.95891	0.7
97.02797	0.7
99.00732	1.7
99.92731	0.6
101.02326	11.8
111.00771	0.9
113.02330	7.1
119.03374	3.7
121.02849	1.2
125.02326	2.2
137.02254	0.7
143.03384	1.4
151.07558	1.1
152.07861	0.9
159.02879	0.8
161.04463	4.8
161.05714	0.9
179.05508	1.1
189.01682	0.7
195.06534	2.5
196.06920	1.6
197.07088	1.4
209.11769	100.0
210.12126	6.9
235.08250	2.5
243.03049	0.8
253.09265	9.6
254.09538	0.7
255.02937	1.9
271.02521	4.7
293.08960	0.9
300.02695	7.7
301.03467	3.6
309.52783	0.6
343.08185	2.4
343.28601	3.6
346.89319	0.6
347.03970	0.6
392.31064	0.7
459.07144	1.6
505.10703	7.4
505.33920	14.5
506.10794	1.3
506.24966	0.9
506.33762	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01718	3.1
57.03283	2.9
59.01254	47.8
59.01528	2.3
61.98670	1.3
69.03288	1.2
71.01254	42.6
71.04851	0.9
71.46505	1.0
71.46838	0.9
72.99190	3.5
73.02821	9.7
75.00726	1.7
78.95733	1.0
83.01263	5.8
85.02825	19.2
87.00723	2.1
89.01839	1.0
89.02319	15.5
95.01243	4.0
95.04993	0.7
96.82870	0.7
97.02814	0.9
97.06400	1.0
99.00761	5.5
100.67155	0.8
101.02327	33.1
102.47417	0.9
104.96024	0.8
109.02830	1.0
111.00736	2.1
113.02333	18.0
115.70050	0.7
117.72885	0.8
119.03387	8.3
121.02843	0.9
121.10072	1.6
125.02302	2.3
129.45438	0.7
131.03369	1.0
134.03587	1.7
143.03391	3.5
151.00232	1.4
152.04329	0.7
159.02957	3.5
161.04471	12.1
179.05513	2.3
185.15425	2.8
209.11775	100.0
210.12115	5.3
235.08221	1.9
243.03065	1.4
253.09286	11.5
255.02963	3.5
271.02408	6.5
295.02557	1.4
300.02771	10.2
301.03546	3.6
343.28555	15.6
344.29099	0.8
373.16788	0.9
505.09900	5.7
505.34113	32.9
506.34299	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	505.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11625	0.3
52.53536	0.3
57.03326	0.8
59.01247	5.7
63.54707	0.3
63.82257	0.3
69.03319	0.4
70.59405	0.3
71.01257	6.2
72.99172	0.4
73.02826	1.2
75.00737	0.8
81.29697	0.3
83.01272	0.9
83.93437	0.3
85.02344	0.4
85.02831	5.3
87.00748	11.1
89.02315	1.2
95.01247	1.6
97.02854	0.4
98.19838	0.9
98.20513	1.0
99.00777	0.8
101.02351	1.7
104.02643	0.3
107.01273	0.5
108.02041	0.8
109.02860	2.4
109.28723	0.3
113.02329	5.3
119.03505	0.3
119.04906	0.4
121.02842	4.4
122.03671	0.3
123.00772	1.6
123.04440	0.5
124.01545	1.8
125.02335	4.4
133.02852	1.2
135.04405	1.5
137.02357	2.5
139.03893	0.4
143.03394	0.4
145.02847	1.3
146.03586	0.4
147.04408	2.5
148.01492	0.3
148.05171	0.5
149.02347	3.2
150.03137	5.2
151.00264	2.3
151.03870	1.3
152.01007	0.4
152.04669	0.6
153.05516	0.3
159.04466	0.5
161.02339	1.1
161.04472	0.7
163.00218	0.3
163.03943	2.2
164.04646	0.9
166.02632	6.4
167.03333	0.5
167.71896	0.3
175.03856	0.5
177.01857	0.5
178.99709	0.7
181.04985	6.6
181.06506	0.6
182.05484	0.4
182.07234	0.6
183.04530	0.4
185.05992	0.6
187.07574	0.8
187.13310	0.3
189.05446	0.4
190.47389	0.3
191.03403	0.4
193.05003	0.4
196.05197	0.6
197.05925	0.5
199.07550	0.6
201.05481	0.7
205.05037	0.4
209.06097	1.5
210.06799	1.1
211.03868	0.5
211.07545	2.0
212.04625	0.4
213.05516	0.8
215.07013	0.4
225.05402	1.7
226.06351	0.6
227.03433	0.6
227.07072	3.6
229.04909	0.7
229.40097	0.5
239.03445	0.5
240.04257	1.1
242.09464	1.6
243.02954	1.0
243.06554	1.2
243.09526	0.3
253.05046	3.6
254.05794	3.4
255.03043	1.5
255.06593	23.9
256.03729	6.4
256.06995	2.0
257.04257	0.5
257.08057	0.3
269.04550	0.6
269.08182	2.2
270.05246	0.9
271.02573	4.3
271.06094	29.7
272.03415	0.5
272.06451	2.2
273.04010	0.4
285.04489	0.3
285.07724	0.8
286.05545	0.3
286.08456	20.4
287.08865	2.1
300.02750	6.1
301.03821	3.9
301.10803	100.0
302.03854	0.4
302.11127	8.5
329.03049	0.9
343.11966	0.8
361.29730	1.5
372.85236	0.4
386.25198	0.4
387.10654	2.0
402.13284	0.6
417.15533	7.3
418.16010	0.8
445.14920	0.8
463.08575	0.4
463.25424	0.6
505.09845	3.7
505.16956	0.6
505.26379	3.6
505.33853	8.1
506.10199	0.5
506.27310	0.4
506.34103	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	5.2
59.01251	46.8
59.84141	0.8
67.01756	2.5
68.99699	3.9
69.03313	2.7
69.42017	7.1
71.01254	13.3
71.04884	1.5
73.02807	1.9
73.95743	0.8
75.00738	0.8
81.03314	0.8
83.01238	2.1
83.04859	1.3
85.02819	14.5
87.00766	6.4
89.02327	3.0
91.03864	2.0
93.03387	0.9
95.01250	2.7
99.00758	1.0
99.04369	3.3
101.02310	2.1
109.02836	1.5
111.00793	2.2
113.02330	12.7
115.00246	1.2
115.03893	1.2
119.08544	2.4
121.02834	1.4
129.01811	1.4
135.08032	1.9
135.11693	2.8
137.09618	12.4
138.09979	1.0
139.00241	1.7
151.00311	1.5
153.09116	2.3
157.01317	1.1
158.28999	0.7
161.09595	2.7
163.07536	2.4
169.01326	2.9
170.01805	0.8
178.99834	1.1
179.10677	7.7
181.08601	9.6
189.03983	1.3
191.03426	1.3
197.11807	7.3
198.12123	0.7
205.07072	1.3
223.09688	2.8
241.10794	3.6
243.03015	1.4
249.06110	1.8
255.03021	1.3
263.07684	9.9
271.02451	3.8
278.43130	0.7
281.08737	7.3
287.33426	0.9
300.02704	6.0
301.03464	3.5
315.11139	1.3
315.14496	8.6
326.02997	2.1
343.03241	1.6
344.04190	0.8
372.12744	0.7
429.17685	4.1
443.19223	2.6
445.17111	3.4
473.16681	10.8
487.18060	1.7
490.30008	0.8
505.19269	100.0
506.09116	4.2
506.19556	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	505.193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85426	0.6
59.01252	92.0
62.74300	0.6
65.62247	0.6
67.86512	0.6
69.49888	4.6
71.01254	2.9
77.04690	0.6
83.37352	0.7
85.02844	0.7
89.98662	0.7
101.02348	1.0
105.03377	0.9
109.02866	1.0
113.02322	1.3
114.01869	1.5
115.00267	2.6
125.02392	0.8
134.03609	2.1
135.04434	1.7
148.81580	0.6
149.00806	2.1
149.02332	2.3
149.05917	1.4
150.03160	4.5
151.03802	3.4
161.02341	12.4
161.04462	0.8
165.05475	4.7
166.05843	2.6
176.04697	10.4
177.01793	0.8
179.03433	21.0
180.03893	2.0
191.07083	4.8
192.06604	1.0
193.05020	0.8
194.05779	34.9
195.06291	2.6
209.08141	100.0
210.08441	5.2
239.03357	0.7
251.05540	0.8
264.08566	1.3
312.64420	0.6
325.09247	0.9
373.09409	1.5
505.15161	7.5
506.16345	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	505.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.2
59.01254	1.9
69.03316	0.2
70.01158	1.1
71.01257	0.9
73.02829	0.2
75.00755	0.2
82.43726	0.2
85.02831	0.6
87.00761	0.2
89.49635	0.2
95.01254	0.4
101.02320	0.4
108.02048	1.2
109.02833	2.6
113.02322	0.6
121.01963	0.3
121.02847	6.1
122.03632	0.2
123.00806	1.2
123.04460	0.3
124.01568	1.6
125.02329	2.7
133.02873	1.0
134.98608	0.2
135.04417	1.8
137.02325	0.6
138.03160	0.4
138.90530	0.2
139.03899	0.3
145.02849	1.3
146.03612	0.3
147.04433	2.3
148.05199	0.7
149.02354	2.3
149.04433	0.2
149.05981	0.2
150.03131	5.0
151.03857	0.6
152.04672	0.4
153.01903	0.2
154.34882	0.2
159.04469	0.4
161.02361	0.9
162.03192	0.4
163.03920	2.4
164.04710	0.8
171.08052	0.3
175.03964	0.2
177.05476	0.2
181.06589	0.3
182.07381	0.2
183.04419	0.2
185.06062	0.6
186.06708	0.2
187.07542	0.8
193.06734	0.2
195.04475	0.3
196.05209	0.6
197.06018	0.5
198.06818	0.2
199.03976	0.2
199.07578	0.6
200.04820	0.3
201.05498	0.8
203.07054	0.6
209.06027	1.2
210.06828	1.6
211.03984	0.6
211.07588	3.0
212.04758	0.8
212.07854	0.2
213.05537	1.2
215.07095	0.3
225.05545	2.0
226.06090	0.4
227.03523	0.4
227.07077	4.1
228.04251	0.4
228.07465	0.4
229.04976	0.6
237.05579	0.3
239.03435	0.5
240.04178	1.0
241.04932	0.2
242.05560	0.2
242.09419	2.0
243.02861	0.2
243.06572	0.9
253.05064	2.7
254.05807	3.9
255.06613	27.6
256.03760	5.3
256.06989	2.5
257.04178	0.5
268.07455	0.3
269.04572	0.6
269.08176	2.7
270.05222	0.7
270.08783	0.3
271.06113	29.6
272.06464	2.1
285.07587	0.9
286.08478	22.9
287.08850	2.1
300.02753	1.5
301.10806	100.0
302.11142	9.1
302.14685	0.3
377.71802	0.2
445.14832	0.7
463.15921	0.5
505.09863	0.9
505.17102	0.8
505.24557	0.4
505.33466	0.9
505.40466	0.2
506.10297	0.2
529.22729	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43927	0.4
52.10720	0.5
55.01756	0.5
57.03319	1.0
59.01252	9.8
61.98687	0.6
71.01257	5.7
72.99185	0.8
73.02819	1.2
75.00746	3.2
78.95766	0.6
83.01267	1.0
83.19851	0.4
84.08209	0.4
85.02823	5.0
86.03192	0.5
87.00741	1.5
89.02319	2.3
95.01279	0.8
96.95924	1.1
99.00734	1.3
100.06194	0.4
101.02339	3.1
108.02048	1.2
109.02840	1.7
109.78841	0.5
111.00753	0.6
113.02343	3.5
114.87414	0.4
119.03409	0.5
121.02850	5.6
123.00771	1.2
124.01547	1.4
124.14223	0.4
125.02352	3.9
133.02814	1.3
135.04425	2.0
137.02391	1.1
138.03082	0.5
145.02846	1.5
146.03441	0.5
147.04382	2.5
148.05205	1.2
149.02354	2.6
150.03148	4.7
151.00316	1.0
151.04015	0.6
159.04396	0.8
161.02322	1.5
161.04460	1.0
161.05818	0.5
163.03963	1.5
164.04672	0.9
173.06001	0.5
177.01945	0.5
183.04422	0.6
185.06059	0.6
187.07567	0.7
199.07471	0.9
201.05524	0.8
203.07065	1.0
209.06059	1.5
210.06783	1.3
211.03998	0.8
211.07596	2.7
212.08241	0.4
213.05507	1.2
215.07182	0.6
225.05548	1.6
227.03503	0.7
227.07091	4.2
228.07372	0.4
229.05115	0.7
237.05582	0.7
239.03424	0.5
240.04274	1.0
241.04849	0.8
242.09465	2.2
243.02980	1.0
243.06606	0.8
253.05077	2.6
254.02257	0.4
254.05765	3.3
255.03015	2.3
255.06602	28.7
256.03723	6.6
256.07086	2.0
257.04202	0.6
269.04828	0.5
269.08096	2.5
271.02567	4.7
271.06116	28.7
272.03174	0.7
272.06491	1.6
285.07596	0.7
286.08472	18.9
287.08789	1.7
300.02777	7.6
301.03867	4.7
301.10812	100.0
302.11142	7.8
321.04587	0.4
324.99130	0.4
327.21704	0.6
329.17709	0.4
343.12183	0.5
373.25940	1.4
445.14938	1.1
505.10223	4.5
505.16818	0.9
505.22836	5.3
505.34027	2.8
506.22565	0.7
507.94043	0.5
511.64380	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.1
69.27356	0.6
69.27766	3.7
73.13467	0.4
78.95793	1.7
80.38539	0.4
87.80100	0.3
90.24122	0.3
91.31738	0.3
98.20564	0.9
118.21570	0.4
120.74668	0.4
121.02848	100.0
122.03199	3.5
152.99474	2.1
181.06551	3.5
197.06015	3.1
207.04491	0.8
207.07965	0.4
223.03914	0.4
225.05458	2.3
243.02904	0.5
251.06961	0.4
255.02966	0.7
257.09647	0.9
271.02509	1.4
300.02811	2.8
301.03537	0.9
313.07178	5.3
329.08322	0.4
357.06088	0.7
373.10919	0.6
383.07684	1.2
417.09796	9.8
418.10184	1.1
505.11194	5.6
506.11447	0.5
528.41071	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24274	0.4
57.03312	1.2
59.01255	17.3
71.00917	0.9
71.01255	7.9
72.99207	0.5
73.02833	3.2
75.00739	1.1
78.95779	1.0
80.22853	0.5
83.01270	1.0
85.02819	5.6
87.00761	1.3
89.02318	3.3
95.01274	0.9
97.02849	0.5
99.00739	0.9
101.02329	6.1
101.57854	0.4
109.02839	0.9
110.93385	0.4
113.02315	3.8
119.03378	1.2
121.02849	1.0
123.00813	0.7
125.02312	1.3
132.02063	1.0
133.02863	0.7
151.00296	1.1
151.27800	0.6
161.04457	2.8
191.42358	0.5
199.03882	0.6
209.11902	0.7
211.03926	1.4
212.04837	0.5
223.03923	0.6
223.13327	1.5
224.04710	1.4
226.02690	1.1
227.03481	0.7
239.03386	2.9
240.04198	1.7
241.04823	1.5
242.05328	0.7
243.03008	1.6
243.72148	0.6
252.04266	0.8
255.02997	2.7
267.02975	3.3
267.05707	0.5
268.03769	45.8
269.04431	10.5
270.04855	9.5
271.02444	5.2
271.05167	7.2
272.03140	0.9
280.83093	0.7
283.06116	100.0
284.06613	14.8
285.07214	6.0
286.07486	6.6
299.09259	8.7
300.02734	9.0
300.09573	9.2
301.03625	3.8
301.09821	10.9
325.23901	0.9
343.28619	1.1
349.06705	0.7
373.26141	0.5
385.09204	1.5
415.10358	1.1
504.32666	0.5
505.08838	3.7
505.22894	0.7
505.33737	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	505.099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83974	0.1
57.03352	0.1
59.01250	0.2
63.02269	0.8
64.92135	0.0
65.00194	1.7
67.01736	0.1
69.38964	0.1
71.01263	0.1
73.75768	0.1
76.12581	0.1
81.03326	0.1
83.01259	1.0
85.02828	0.1
86.84740	0.0
91.01771	0.5
93.03350	0.4
95.01266	0.2
107.01271	3.5
108.02058	2.3
109.02846	2.1
110.03177	0.1
111.00793	0.1
117.03445	0.0
119.01285	0.5
120.02079	0.1
120.45804	0.1
121.02839	2.1
122.03146	0.1
123.00812	0.3
124.01558	0.4
125.02364	0.4
131.04906	0.1
133.02881	0.1
134.99809	0.1
135.00771	1.3
135.04382	0.1
137.02342	0.2
139.03908	0.2
143.04944	0.1
145.02863	0.1
146.03587	0.1
147.00801	0.3
147.04436	0.1
148.01570	2.4
149.02371	0.4
151.00275	11.9
152.00682	0.5
153.01874	0.3
155.04913	0.2
157.02875	0.1
157.06502	0.1
159.04399	0.4
161.02376	0.2
161.06055	0.1
163.00294	3.5
163.03894	0.2
164.01070	1.1
165.01942	0.3
167.04887	0.3
169.01357	0.9
170.03712	0.1
171.04422	0.4
172.05162	0.2
173.05992	0.2
174.03235	0.3
175.03975	0.4
177.01828	0.1
178.99786	5.7
180.00230	0.2
182.03671	0.1
183.04471	0.8
184.04939	0.1
185.02399	0.2
185.06030	0.2
187.03912	0.9
188.04671	0.2
189.01898	0.2
189.05435	0.2
190.02628	0.2
190.99841	0.5
191.03323	0.1
192.00565	0.6
193.01357	0.2
195.04420	0.1
197.02473	0.1
198.03116	0.5
199.03925	1.7
200.04590	0.2
201.01920	0.5
201.05499	0.6
202.02676	0.2
203.03484	0.6
204.04097	0.1
210.03136	0.1
211.03917	1.6
212.04478	0.2
213.01743	0.3
213.05284	0.1
214.02599	0.2
215.03465	1.2
216.04262	0.6
217.04860	0.1
225.02008	0.1
226.02682	2.3
227.03450	5.0
228.03992	0.5
229.01338	0.4
229.04968	0.9
230.02240	0.1
231.03021	0.1
239.03384	0.4
240.04082	0.1
242.02209	0.2
243.02960	15.7
244.03438	1.3
245.04485	1.4
246.04865	0.1
253.01607	0.1
254.02194	3.3
255.02963	33.8
256.03354	2.6
257.04733	0.2
259.02692	0.1
266.02191	0.2
270.01471	0.1
271.02466	74.0
272.02908	6.8
273.03973	1.3
282.01575	0.1
283.02417	1.2
284.03098	0.2
299.02039	1.6
300.02737	100.0
301.03427	44.7
302.03848	3.0
313.03394	0.1
325.03046	0.1
329.02670	0.1
343.04388	0.5
353.08813	0.1
445.07950	0.3
457.77948	0.1
463.08832	2.8
464.08853	0.4
487.09451	0.1
505.09860	43.1
506.10193	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	504.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.4
61.54376	0.1
61.91102	0.1
71.01241	0.1
78.95774	6.6
79.72232	0.0
83.04881	0.1
96.96863	0.1
98.20554	0.1
152.99484	1.5
156.45747	0.0
168.04236	1.5
170.11696	0.0
171.00591	0.1
224.06880	1.0
227.03267	0.1
242.07938	2.7
243.08220	0.1
245.04370	0.1
261.22238	0.4
277.21722	4.5
279.23270	100.0
280.23602	9.0
366.60791	0.1
504.30948	5.0
505.25565	1.0
505.31549	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.1
59.01245	0.5
62.96275	0.1
71.01257	0.1
73.40276	0.1
73.68044	0.1
78.95774	22.6
83.59095	0.1
96.96829	0.3
98.20631	0.1
104.97319	0.1
112.31385	0.1
122.98443	0.3
134.98409	0.1
152.99490	3.4
153.99799	0.1
168.04224	3.6
169.04515	0.1
169.13231	0.1
171.00504	0.1
194.05809	0.2
205.40260	0.1
224.06874	10.5
225.07251	0.3
227.03116	0.1
229.92014	0.1
242.07961	2.5
243.08231	0.1
261.22260	0.4
265.30023	0.1
277.21701	1.8
279.23267	100.0
280.23611	9.3
415.22403	0.1
428.66873	0.1
471.28333	0.1
504.30942	18.9
505.25366	0.6
505.31360	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	505.099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64057	0.3
57.83265	0.3
59.01238	0.7
65.00201	1.4
68.85179	0.3
69.57619	1.2
69.58042	1.8
83.01264	1.1
98.19852	0.6
101.21634	0.3
107.01287	2.7
108.02053	1.6
109.02842	1.3
119.01256	0.4
121.02837	1.6
125.02361	0.4
135.00835	0.5
148.01596	1.3
149.02307	0.4
150.99120	0.9
151.00269	10.6
163.00296	2.5
164.01033	0.4
169.01299	0.9
178.99800	4.9
183.04483	0.6
187.03888	0.5
187.81502	0.4
191.67307	0.4
199.03897	1.1
211.03926	1.1
215.03517	0.5
226.02599	1.0
227.03503	3.3
229.04968	0.9
243.02959	8.5
244.03375	1.2
245.04585	1.2
254.02171	1.6
255.00238	0.8
255.02966	23.2
256.03378	1.8
271.02475	48.7
272.02939	4.0
273.03970	0.9
283.02487	1.7
299.01892	2.7
300.02740	100.0
301.03467	60.5
302.03891	4.1
343.11893	0.4
445.07660	3.4
446.08328	0.5
463.08939	2.3
505.09872	52.1
506.10202	7.3
530.80481	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0987
Annotation	Quercetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
52.71959	0.2
57.69826	0.1
59.01244	0.5
63.02260	0.6
65.00197	1.5
71.01249	0.3
83.01247	0.8
91.01755	0.4
93.03322	0.5
95.01247	0.2
95.80769	0.1
98.19827	0.3
99.10625	0.2
101.02335	0.2
107.01270	3.3
108.02056	2.0
109.02842	2.0
113.02264	0.2
119.01295	0.5
121.02835	2.1
123.00752	0.2
124.01508	0.2
125.02325	0.5
135.00793	1.1
137.02406	0.2
139.03873	0.2
148.01559	2.0
149.02316	0.5
151.00270	10.9
152.00714	0.5
153.01811	0.4
159.04424	0.4
161.02423	0.3
161.56786	0.2
163.00281	2.8
163.03938	0.3
164.01045	0.9
165.01802	0.3
167.04938	0.2
169.01378	0.9
169.02586	0.1
171.04424	0.3
172.05034	0.2
173.06023	0.2
175.04015	0.4
178.99779	5.2
180.00288	0.2
183.04404	0.5
187.03894	0.8
188.04642	0.3
189.05481	0.2
190.99757	0.3
192.00580	0.5
193.01505	0.2
198.03154	0.5
199.03889	1.5
200.04668	0.2
201.01984	0.4
201.05513	0.4
203.03403	0.4
211.03932	1.4
213.01913	0.4
215.03418	1.1
216.04185	0.6
226.02661	2.4
227.03433	4.8
228.04073	0.3
229.01393	0.4
229.04991	0.5
239.03525	0.3
240.04185	0.2
243.02951	14.9
244.03458	1.3
245.04485	1.5
254.02179	2.7
255.02957	32.8
256.03357	2.4
257.04568	0.3
271.02460	69.4
272.02887	6.2
273.03946	1.5
283.02350	1.3
299.02011	1.6
300.02728	100.0
301.03436	47.3
301.10547	0.2
302.03851	2.9
313.03485	0.2
343.04568	0.6
463.08777	3.3
464.09192	0.4
505.09863	52.1
506.10168	7.4
506.17749	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.4
59.01253	4.1
63.02274	0.7
65.00208	1.5
68.99695	0.6
71.01261	2.4
72.99191	0.8
73.02852	0.7
83.01279	1.1
85.02822	3.3
87.00766	0.6
89.02336	1.1
90.06592	0.3
93.03370	0.9
95.01286	1.4
98.20538	0.8
99.00785	0.6
99.46268	0.3
101.02285	0.7
102.63699	0.3
107.01271	2.3
108.02061	1.3
109.02840	1.6
109.99990	6.7
111.00790	2.7
113.02335	1.8
117.03403	0.4
117.37589	0.4
118.62416	0.4
121.02850	2.5
123.00772	1.3
123.04426	0.6
124.01560	0.8
125.02336	1.6
132.02074	0.4
133.02849	0.7
135.00764	1.0
135.04456	1.2
136.98732	1.3
137.02354	1.0
137.99474	3.1
139.00282	6.3
141.98944	0.6
143.04941	0.5
145.02863	0.6
147.04494	0.4
148.01598	1.1
149.02341	2.4
151.00285	9.8
151.03842	0.6
152.01019	1.1
153.01849	0.7
155.04977	0.6
159.04425	1.2
161.02455	0.4
163.00322	2.0
164.01067	1.0
165.01781	0.4
165.98991	8.3
166.99785	4.2
169.01376	1.2
171.04440	0.5
178.99799	6.1
183.04367	1.8
184.31868	0.4
187.03975	1.1
190.02719	0.4
191.01874	0.6
192.00490	0.4
193.98438	0.5
198.03093	0.6
199.03925	2.0
200.04756	0.4
201.01894	0.4
201.05464	1.0
203.03435	0.7
206.99236	0.4
209.00800	0.6
209.08189	1.5
210.08498	0.8
211.03972	1.7
211.08847	0.4
215.03442	1.1
216.04190	0.8
217.04926	0.4
226.02704	2.2
227.03444	6.0
228.04190	0.9
229.04886	0.8
239.03416	1.4
242.02214	0.7
243.02968	15.8
244.03481	2.1
245.04462	2.1
249.06236	0.7
254.02170	3.3
255.02979	26.9
256.03458	3.1
257.04483	2.0
267.07349	0.5
270.01602	0.6
271.02487	59.4
272.03015	7.4
273.03983	1.3
283.02448	3.3
284.02853	0.5
285.04019	1.0
286.04788	0.4
286.08264	0.5
299.01901	2.2
300.02756	100.0
301.03510	64.9
301.06870	2.5
301.10257	3.7
302.03934	5.3
302.07352	0.7
309.59589	0.4
313.03519	3.7
314.03986	0.4
328.05771	1.2
343.04593	0.7
343.08191	3.3
361.16486	0.5
445.07898	0.5
463.08856	2.8
505.09839	76.7
506.10062	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	504.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38197	1.1
57.03311	1.8
59.01252	13.2
60.33282	1.2
65.23497	1.3
68.47005	1.3
69.52711	10.3
71.01253	17.2
72.99177	2.2
75.00742	2.3
78.95767	1.6
85.02820	6.3
87.00740	3.5
89.02312	6.1
93.03316	2.7
96.95909	13.9
96.96858	3.7
98.02357	100.0
98.95436	1.6
99.00775	2.5
99.01880	3.3
101.02348	3.0
109.02824	1.8
110.02364	1.4
113.02335	3.9
114.01860	10.9
115.00262	18.6
117.49730	1.4
119.03364	2.0
121.02859	8.3
122.03648	7.8
123.04437	2.3
125.02350	2.2
125.66212	1.1
132.02939	2.4
133.02870	2.3
134.03636	25.9
134.06273	1.5
135.02943	1.4
135.04471	7.9
135.08054	3.4
137.02327	2.6
147.04242	1.2
149.00848	5.4
149.02336	20.2
149.05978	16.4
150.03140	55.8
151.03818	5.2
153.09029	2.1
160.01596	1.9
161.04475	1.3
161.05917	1.8
164.04668	4.8
165.05487	47.2
166.05832	2.8
171.55222	1.3
174.05565	1.3
175.03903	2.9
177.04185	5.0
178.02652	2.3
179.03419	5.5
179.05582	1.7
180.04221	4.0
181.04977	2.2
184.11447	1.2
188.10747	3.6
191.01779	1.6
192.06587	7.3
193.05020	13.4
195.06580	21.5
206.11815	4.7
246.07668	3.6
255.10277	2.2
263.08017	1.6
264.08740	7.0
282.07230	1.4
282.17142	2.4
285.11270	3.6
325.09650	2.0
340.11911	4.3
341.10138	5.0
373.09216	2.6
389.12411	3.0
394.12872	2.4
412.13818	9.0
444.22281	1.6
460.16467	2.0
483.94684	1.5
504.15109	53.5
505.15192	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	504.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	1.0
66.77760	0.5
69.77159	2.3
71.01252	15.3
71.26493	0.5
72.01602	0.5
84.04436	0.6
84.08854	0.4
88.03915	1.1
91.07448	0.4
93.03324	3.7
95.04912	0.6
103.35467	0.5
108.02052	1.3
114.01855	21.2
115.00256	25.7
115.23782	0.5
121.02847	6.6
122.03625	14.5
123.04532	2.2
124.01563	0.5
125.02378	0.6
132.02924	2.6
133.02837	2.7
133.06488	0.5
134.03629	33.9
135.04468	2.2
136.01563	1.5
137.02325	0.8
137.05977	0.5
147.04524	0.9
149.02353	26.3
149.05986	24.0
150.03127	100.0
151.03712	4.5
159.03165	0.6
160.01572	3.3
161.04796	0.6
161.05957	2.2
162.03177	0.8
164.04677	4.5
165.05484	93.6
166.05836	3.6
169.01384	0.6
174.05508	2.1
175.03983	3.1
176.03394	3.5
176.07042	0.7
176.08392	0.7
177.04227	6.4
177.05556	0.8
178.02608	2.9
178.04932	0.7
180.04202	9.1
181.04991	2.4
181.69537	0.5
192.06586	11.3
193.04996	21.9
194.05431	0.8
195.06558	33.0
196.06895	1.3
203.05879	0.9
204.06674	1.1
205.07449	0.4
218.08157	1.8
220.09689	0.7
244.06133	0.8
246.07661	4.6
263.08035	1.1
264.08783	13.9
282.07755	0.5
293.07132	0.7
325.09485	1.4
340.11884	2.0
341.10355	1.4
388.13947	0.9
389.12463	2.0
394.13010	0.6
412.14053	2.7
424.13074	0.6
460.16046	2.2
504.15125	73.4
505.15424	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	504.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.6
65.94888	1.0
66.05849	1.1
69.50361	3.7
69.50783	4.8
71.01258	16.8
88.03928	6.6
93.03292	1.1
98.19680	1.1
108.02056	2.4
109.02854	1.1
114.01846	11.2
115.00259	26.7
119.04880	1.3
121.02827	4.8
122.03625	9.9
123.04401	2.5
129.14206	1.0
132.02928	8.1
133.02849	1.6
134.03636	24.3
135.04402	2.5
135.12161	1.0
136.01579	1.1
145.02820	3.6
147.04424	2.2
149.02354	17.2
149.05992	15.2
150.03136	51.4
151.03911	6.2
159.03250	1.2
160.01541	2.7
160.03946	1.2
161.02435	2.2
161.05974	4.5
162.03152	1.2
162.06668	1.4
163.03860	1.0
164.04735	3.5
165.04097	2.3
165.05487	33.7
174.03993	2.4
174.05525	1.2
175.02571	1.9
175.03931	2.4
176.03442	8.6
176.08392	1.4
177.04218	13.4
178.04944	3.0
179.06970	1.2
180.04170	3.3
181.05022	5.2
192.06593	15.5
193.05048	8.5
193.06680	1.7
195.06598	10.2
197.04604	1.2
203.05759	2.9
204.06616	3.6
218.08157	10.8
246.07843	2.4
263.07956	15.2
264.08768	7.7
267.06555	1.7
278.10379	4.5
301.07220	2.9
307.07028	5.9
308.07559	1.7
318.09705	1.9
325.09866	1.2
326.10220	3.3
327.12296	1.6
340.11829	1.8
375.18259	1.3
380.10849	1.5
389.12442	4.5
400.23962	1.3
412.13943	6.8
424.14185	6.9
456.13062	1.4
486.14008	2.9
504.15134	100.0
505.15588	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	504.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72636	1.8
65.54920	2.0
69.48192	13.5
69.48620	4.8
71.01250	13.0
79.77833	1.8
85.24612	2.2
88.54211	1.7
93.03326	2.2
98.02441	2.0
98.19862	4.7
114.01860	18.9
115.00255	31.3
121.02844	9.6
122.03642	7.4
123.04431	3.3
129.45908	2.3
133.02924	2.4
134.03641	23.2
143.16142	1.9
147.67746	1.8
149.02347	23.4
149.05975	26.0
150.03143	68.2
151.03857	4.7
160.01529	2.1
164.04745	3.8
165.04115	3.6
165.05492	69.2
169.22256	1.9
175.03835	2.4
177.04207	5.4
179.96971	2.3
180.04247	5.6
181.05037	3.9
192.06616	8.5
193.04991	22.1
195.06560	30.3
246.07768	3.8
261.79904	2.3
264.08783	11.6
325.09598	4.3
340.11838	9.3
341.10217	17.4
389.12335	9.8
394.12726	3.0
394.49841	2.1
398.43512	2.1
412.14035	20.9
413.14453	4.9
460.15924	3.2
473.66687	2.1
486.13995	3.0
503.58490	2.5
504.15170	100.0
505.15585	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	503.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	9.1
57.03326	6.4
58.00468	2.2
59.01254	52.0
61.98698	1.0
69.03336	1.0
69.59351	1.6
69.59756	5.5
71.01255	85.1
72.01569	1.3
72.99174	4.7
73.02820	28.3
75.00748	1.5
83.01263	11.2
85.02826	47.6
85.99973	2.0
87.00757	3.3
89.02320	19.3
94.89460	0.8
95.00742	1.3
95.01250	7.0
97.02805	2.6
97.06465	2.1
97.63692	0.8
98.20576	1.5
99.00774	10.8
101.02326	58.9
102.02663	1.6
111.00749	7.8
113.02334	37.2
114.02645	1.0
119.03388	8.2
125.02349	3.5
129.01848	2.1
141.01884	1.5
143.03415	3.4
143.58881	1.0
149.04453	0.8
159.02881	6.0
161.04468	24.4
179.05481	1.5
196.29311	0.9
213.18484	1.9
225.18509	1.5
269.04581	7.6
270.04852	1.2
284.06879	3.6
293.25070	0.9
299.05841	1.8
299.09192	9.0
305.24814	2.4
327.05072	2.0
341.26981	11.8
342.27316	1.8
467.29950	5.3
473.31158	1.6
474.01553	0.9
488.69598	1.0
503.32288	100.0
504.32516	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	503.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74778	1.3
53.94938	1.2
55.01752	7.9
57.03326	6.5
58.00472	2.2
59.01254	100.0
60.01593	1.2
62.63279	1.1
63.12339	1.2
71.01254	75.4
71.58865	2.1
72.01573	1.8
72.99172	4.5
73.02817	24.4
75.00772	2.4
83.01259	14.7
85.02826	44.0
85.99944	2.3
87.00759	6.4
89.02323	12.2
95.01276	5.7
97.02818	2.0
97.06458	3.9
99.00759	11.0
101.02325	62.8
111.00752	9.4
113.02335	32.0
113.02934	0.9
119.03402	4.5
121.10091	2.2
125.02341	3.4
129.01830	2.7
131.03284	1.2
141.01817	1.3
141.12752	1.4
143.03394	2.4
159.02907	8.0
161.04482	19.2
162.60373	1.3
178.67293	1.1
179.05551	1.5
185.15668	1.4
207.49803	1.2
213.18501	2.2
229.08369	1.1
229.97835	1.4
281.24860	1.5
293.24948	3.5
299.09305	1.9
305.24911	3.7
311.25882	1.6
323.25839	1.9
341.26941	24.3
342.27255	1.9
467.30161	5.5
473.31165	1.6
503.32275	92.5
504.32617	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45188	0.4
59.01251	100.0
60.01583	1.0
63.10610	0.3
71.01179	0.9
71.01575	0.8
75.46504	0.4
78.95782	0.4
108.10912	0.4
109.44717	0.6
121.02674	0.5
130.69249	0.4
133.02849	18.5
134.03189	0.6
145.13243	0.4
148.46867	0.4
223.07712	0.6
224.08472	0.7
239.10747	33.0
240.11090	2.4
299.06360	0.5
453.48544	0.5
503.34164	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	503.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89725	0.3
59.01253	100.0
60.01590	0.9
69.53838	2.4
70.62801	0.3
71.01257	1.8
81.17101	0.3
85.02837	0.8
87.00745	0.4
99.00801	0.3
101.02322	0.8
113.02342	0.6
116.92796	0.4
121.02890	0.6
159.72745	0.3
161.04504	0.3
186.62001	0.3
191.05557	1.5
193.07146	0.8
195.64624	0.3
197.11784	0.4
211.35954	0.3
225.05801	0.3
239.16481	0.4
286.36899	0.3
327.21780	1.1
329.23679	0.4
336.89670	0.3
401.25024	0.3
443.26340	0.3
445.11612	0.5
455.14899	0.5
485.16089	0.5
503.25058	0.5
503.32309	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
71.01260	3.8
71.15602	2.0
73.02814	2.6
74.02349	1.7
85.02823	1.8
101.02327	3.0
113.02347	2.5
123.04439	1.2
125.02316	1.0
161.04561	0.9
173.95334	0.8
177.03104	0.9
299.05606	1.7
461.44879	1.0
504.28586	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	7.3
57.03333	9.4
58.00467	3.1
59.01254	63.2
61.27168	1.2
67.01748	1.2
70.03107	1.2
71.01257	100.0
72.99174	5.2
73.02438	2.2
73.02821	29.2
75.00740	3.1
78.95786	1.4
83.01260	16.9
85.02824	48.6
85.06482	1.3
85.99972	2.1
87.00758	11.2
89.02322	24.0
95.01276	8.9
97.02794	2.2
97.06454	3.6
98.19796	3.4
99.00753	13.4
101.02328	68.6
102.02664	1.4
102.59480	1.2
110.22221	1.5
111.00768	30.0
113.02327	41.1
119.03390	10.5
121.02825	1.4
121.10104	1.4
125.02327	4.0
125.09616	1.9
129.01819	2.9
131.03392	1.8
143.03397	5.2
149.04468	1.5
159.02904	9.4
161.04448	29.4
173.00758	1.4
177.59055	1.4
179.05516	3.1
181.05190	1.2
187.07654	1.8
191.01894	1.6
197.15443	2.6
200.04707	2.6
201.05521	2.3
209.08128	2.2
213.18541	4.0
214.06244	2.5
219.06580	1.4
221.77322	1.4
223.16980	2.8
229.08675	4.8
281.24649	1.6
284.06860	2.1
293.24863	2.3
299.09393	1.7
305.24823	3.4
311.25964	3.0
323.25763	2.0
341.26932	42.3
341.31030	2.8
342.27307	4.4
465.57321	1.9
467.29959	5.6
503.25290	4.5
503.32266	85.4
504.32645	12.3
529.37604	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05437	0.2
51.27485	0.3
55.27247	0.3
57.03314	1.3
59.01252	1.1
65.00199	0.8
69.36672	0.8
69.37080	1.8
71.01246	0.5
73.02816	0.4
80.02534	0.3
80.25954	0.3
81.03329	6.0
83.01246	1.0
89.02332	0.3
99.00778	0.3
99.08035	0.6
101.05947	0.7
107.01270	0.8
122.03620	2.6
123.08041	1.9
125.02341	13.0
125.05981	4.6
126.02651	0.5
149.02362	1.6
151.00272	1.7
165.01915	0.3
165.09125	30.6
166.09471	1.7
167.03352	0.5
191.03416	0.6
191.07080	0.9
194.87970	0.3
209.08130	100.0
210.08435	4.9
233.08203	1.4
251.09189	0.4
263.09012	0.4
419.11612	1.6
503.17728	17.7
504.17923	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31260	0.1
57.03321	0.8
59.01255	1.4
65.00191	0.7
70.12911	0.7
71.01267	1.0
73.02814	0.2
74.20131	0.2
77.53269	0.1
81.03329	3.9
83.01249	1.0
85.02790	0.2
89.02325	0.6
91.72413	0.1
95.01289	0.2
99.00735	0.2
99.08022	0.8
101.02296	0.2
101.05960	0.7
107.01264	0.4
107.04906	0.2
108.02082	0.2
112.83278	0.1
113.02319	0.5
121.06440	0.2
123.00797	0.1
123.08053	2.3
124.01550	0.1
125.02338	7.7
125.05971	5.1
126.02684	0.3
136.05186	0.6
137.02397	0.2
137.05965	0.2
141.09120	0.6
147.08070	1.1
149.02344	1.2
149.04465	0.1
150.06787	0.1
151.00291	1.0
151.01288	0.1
152.01060	0.4
161.02232	0.2
165.09122	23.5
166.09427	1.2
167.03386	0.2
167.07095	0.3
179.05647	0.1
191.03575	0.3
191.07083	1.4
205.08679	0.4
209.08127	100.0
210.08459	6.3
223.06158	0.2
233.08160	2.9
251.09236	0.6
263.09250	0.2
275.09335	0.2
341.13681	0.2
419.12094	0.4
445.96466	0.2
503.17719	15.4
503.24640	0.9
504.18069	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52661	0.5
54.23607	0.6
55.01737	2.0
57.03323	5.4
59.01251	13.5
68.99691	0.7
69.03338	0.6
71.01257	33.6
72.99184	5.2
73.02816	3.6
73.90876	0.6
75.00749	27.8
81.56316	0.6
83.01257	3.5
84.02061	0.9
85.02825	34.6
85.99976	0.6
86.03169	0.9
87.00753	9.6
88.03896	1.0
89.02325	3.1
93.03343	1.0
95.01273	2.7
96.95878	1.3
97.02844	1.0
99.00763	8.2
99.33688	0.6
101.02325	6.6
103.00223	0.7
106.04128	0.9
107.04892	0.6
108.02058	2.1
109.02795	0.6
109.52603	0.6
111.00750	1.4
112.01538	1.4
113.02330	25.5
114.01862	5.7
114.02618	1.0
115.00256	11.7
117.01824	1.2
119.03405	0.6
119.04900	0.5
120.73069	0.5
121.02853	3.1
121.06433	0.6
122.03631	3.4
123.04424	1.5
125.02347	0.5
129.01816	1.4
132.02946	0.8
133.02831	0.6
134.03632	10.0
135.04420	1.5
137.02309	1.1
145.02823	0.6
147.02917	0.7
147.04353	0.7
149.00630	0.5
149.01164	0.9
149.02351	11.1
149.05997	9.4
150.03137	29.5
151.03940	2.2
152.01024	2.8
157.01344	2.3
160.01596	0.8
161.02325	1.5
161.05975	0.8
164.04718	2.6
165.05492	27.6
165.09126	23.0
166.09511	1.3
174.05476	0.8
175.02415	3.5
175.03899	1.4
176.03424	2.1
177.04216	3.9
178.02676	0.8
178.04929	1.3
180.04189	2.3
181.04968	1.4
191.01897	2.0
192.06639	4.8
193.05002	7.0
195.06567	10.2
204.06479	0.7
206.78600	0.6
218.08170	1.6
227.07150	0.6
246.07732	2.0
263.08078	2.3
264.08859	4.5
281.13876	0.6
296.09302	1.1
309.13385	1.1
325.09558	1.4
326.10461	0.8
327.14447	8.9
340.11905	1.6
341.10263	1.8
379.17703	0.6
385.14780	0.7
389.12378	1.8
394.13165	0.7
399.09171	0.8
412.14120	4.7
440.99802	0.6
441.17615	0.9
443.15375	0.9
485.17395	1.2
503.17786	100.0
504.14850	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61945	0.2
55.01759	0.4
55.38731	0.2
57.03327	1.6
59.01255	6.2
60.99591	0.2
61.98691	0.3
63.02280	0.3
65.00195	0.6
67.01761	0.3
68.26569	0.2
69.03349	0.3
69.40264	2.2
71.01254	5.6
72.99185	0.4
73.02824	1.4
75.00790	0.3
81.03335	4.9
82.99732	0.2
83.01259	1.4
85.02821	6.4
85.06458	1.3
85.71553	0.3
86.46424	0.2
87.00755	1.5
87.04414	0.8
89.02316	2.1
93.03353	0.3
95.01252	0.5
97.02845	0.7
98.19766	0.4
99.00758	0.5
101.02322	3.5
107.01265	0.3
107.04945	0.3
109.06479	2.7
111.00769	6.9
111.04402	4.4
113.02324	2.2
116.92764	0.3
117.03369	1.0
119.03411	1.1
119.04887	1.2
121.02876	0.4
121.06513	0.3
123.04372	0.3
125.02343	6.8
127.07567	0.6
127.35169	0.2
129.01842	0.7
130.56189	0.2
133.06499	1.1
136.05232	1.3
137.02367	0.4
139.03870	0.3
145.02847	3.4
146.03334	0.2
147.02916	0.6
149.02377	1.6
151.00285	0.7
151.07558	32.7
152.01059	0.3
152.07904	1.5
153.05487	0.4
159.02872	0.3
161.04462	1.6
161.05847	0.5
163.03951	0.7
165.05522	0.4
173.00818	0.6
175.00279	0.4
177.05486	1.0
179.03328	0.3
179.05554	0.5
179.07033	0.5
191.01918	1.7
191.07060	0.7
194.05595	0.3
195.06563	100.0
196.06914	5.3
201.05563	1.2
205.05055	0.5
207.06383	0.5
209.08128	2.3
213.18640	0.2
219.06573	17.2
220.06920	0.8
221.08086	0.3
237.07651	6.0
249.07628	1.3
255.06587	0.3
258.83527	0.2
261.07635	1.6
265.07138	0.8
305.14023	0.4
307.08249	1.0
311.22418	0.3
341.26944	2.5
461.42285	0.2
503.15573	8.9
503.23550	0.3
503.25110	0.4
503.31992	2.3
504.16003	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.5
56.01896	0.3
57.03317	1.2
59.01254	10.0
60.76723	0.4
61.98701	0.7
65.00195	0.6
69.24828	4.1
71.01253	7.9
73.02815	1.9
81.03328	4.5
81.52067	0.3
83.01257	1.5
83.52660	0.3
85.02814	3.0
85.06465	1.3
87.00742	1.0
87.04404	1.0
89.02322	3.6
95.01270	0.9
95.04905	0.4
97.02837	0.6
101.02319	5.5
101.87411	0.4
109.06475	2.5
111.00781	0.4
111.04410	4.4
113.02352	2.8
117.03343	1.0
119.03395	1.8
119.04932	1.1
121.02875	0.4
125.02337	6.7
126.02689	0.5
127.07544	0.8
131.03355	0.4
133.06477	0.8
136.05202	0.8
139.00372	0.4
139.03873	0.4
145.02875	3.5
149.02339	1.3
151.00250	0.8
151.07556	36.9
152.07895	1.1
156.47852	0.4
161.04442	1.9
161.05832	0.6
163.03894	1.0
163.07521	0.5
165.05595	0.5
166.31433	0.3
177.05508	1.5
179.05586	0.4
179.07037	0.5
191.07065	0.6
195.06563	100.0
196.06929	4.3
201.05482	0.9
207.06514	0.6
209.08139	1.9
214.06197	0.4
219.06580	16.5
220.06889	1.3
229.08705	0.7
230.09293	0.5
237.07668	6.4
249.07683	1.2
249.18785	0.4
261.07599	1.9
265.07291	0.7
307.08243	0.9
341.27029	2.5
503.08575	0.7
503.15625	9.7
503.32294	5.0
504.07922	0.3
504.16077	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.12
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91449	0.3
59.01253	12.3
69.59485	2.6
71.01262	1.0
73.25205	0.3
75.00709	0.6
80.52542	0.3
82.37268	0.3
85.33372	0.4
89.02303	0.4
91.01770	0.4
101.02319	0.7
109.02901	0.3
113.02318	0.3
113.27276	0.3
123.04456	0.4
123.49604	0.3
125.02325	0.4
132.02936	0.6
133.02864	0.6
135.00781	0.6
159.84892	0.4
180.05617	0.4
183.02953	0.9
184.74382	0.4
195.04370	0.4
196.05272	0.4
197.05992	1.0
208.05191	0.8
209.05963	1.8
211.03958	0.6
219.09993	0.4
223.03972	0.8
224.04749	1.6
225.05525	1.4
251.03412	1.8
252.04224	1.8
253.05031	23.6
254.05376	1.8
255.03032	0.8
259.47971	0.4
269.04388	0.6
277.77075	0.4
279.03085	0.5
281.04547	100.0
282.04880	9.1
283.02469	0.7
284.03308	2.7
298.04828	0.6
299.05606	3.0
371.14929	1.5
444.05383	0.3
503.12134	0.5
503.25604	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1197
Annotation	5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin 5-O-(6''-acetyl)-galactoside
Peak:m/z	Relative Intensity
50.71128	1.0
59.01254	10.6
69.85240	1.7
69.85653	5.4
71.01246	4.5
72.82666	1.1
75.00761	2.1
85.02811	6.3
89.02332	1.6
91.01780	3.0
98.20582	1.2
101.02309	1.8
109.02802	1.4
114.93611	1.1
119.01249	1.4
125.02350	2.7
132.02892	1.2
135.00789	3.2
135.04436	1.5
137.02393	1.5
148.01559	2.3
151.00252	1.6
153.01848	3.3
165.05307	1.0
169.01285	1.2
182.03592	1.4
183.04437	13.1
183.69536	1.2
191.01933	2.3
197.37231	1.1
199.03981	5.5
205.18021	1.2
211.03940	9.9
226.02655	5.5
227.03458	41.0
228.04045	4.8
239.03473	15.7
240.04005	2.2
241.05034	7.5
254.02075	1.3
255.02972	90.0
256.03561	11.7
257.04269	1.4
264.39310	1.2
268.03766	1.4
269.04456	4.9
270.05328	9.3
271.05771	1.3
283.02490	51.9
284.03235	32.3
284.06061	0.8
285.03659	2.2
297.04010	1.6
298.01392	1.8
298.04843	47.7
299.05609	100.0
300.05902	8.2
301.03503	2.8
329.13968	2.5
443.09830	1.4
503.11978	52.4
503.26694	1.8
504.12265	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	503.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11965	1.5
59.00949	3.2
59.01249	64.5
70.69981	4.9
78.24298	1.7
78.95751	3.5
93.68615	1.5
98.20020	2.8
105.15150	1.5
121.02703	1.7
132.01970	2.1
145.02794	1.7
152.99495	1.8
195.04462	2.7
210.01627	1.7
211.04092	1.9
225.05431	1.8
239.03383	10.5
254.05800	6.1
266.75443	1.9
267.02957	2.4
280.03625	2.8
282.05289	22.2
283.05960	6.0
292.03723	2.3
329.08121	2.1
339.06757	1.9
340.07361	2.8
341.07999	3.2
356.06839	2.8
357.07785	3.4
367.05865	2.4
368.06781	3.5
369.07419	3.2
370.05215	2.1
371.09210	2.6
372.09921	3.8
383.09329	5.6
384.06091	2.9
385.06992	11.6
387.47507	1.8
387.57486	2.1
396.06519	1.8
398.08057	2.2
399.08447	9.1
400.09628	7.9
411.08765	4.4
412.09564	22.3
413.05936	10.1
413.11304	2.5
427.08319	2.9
428.08978	35.8
429.09402	4.2
443.11307	100.0
444.11505	10.7
502.32910	2.3
503.13467	83.3
504.07269	1.9
504.13889	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	503.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12824	0.2
54.40874	0.2
55.01761	0.3
56.39129	0.2
57.03325	0.3
59.01251	6.2
69.34219	1.6
69.34637	0.5
72.99179	0.2
73.02828	0.6
75.00760	0.2
85.02824	2.5
87.00769	0.5
89.02333	0.8
95.01270	1.0
99.00765	0.3
101.02317	1.3
113.02321	0.8
123.00781	3.8
123.04391	0.3
125.02396	0.5
133.02855	1.1
145.02869	1.4
147.02870	0.3
156.09225	0.2
161.04555	0.3
169.06525	0.5
185.06033	0.6
191.01900	0.8
195.04465	0.4
196.05125	0.3
197.06000	1.0
199.03876	0.6
201.05559	0.6
207.20769	0.2
211.03883	0.3
212.04678	0.3
213.05508	2.9
223.03932	0.6
224.04762	0.4
225.05542	1.5
240.04274	2.2
241.05046	8.2
242.05399	0.6
251.03482	0.4
267.03009	0.7
268.03754	3.5
269.04547	80.2
270.04889	5.7
270.07632	0.4
283.06122	7.3
284.06897	65.7
285.07233	5.4
292.30951	0.2
299.09238	100.0
300.09558	8.4
306.24408	0.2
341.10327	0.4
357.26724	0.3
459.65170	0.2
503.15308	0.5
503.32953	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3223
Annotation	Ganolucidic acid B
Peak:m/z	Relative Intensity
52.82509	0.7
59.01247	1.0
64.78020	0.6
71.04897	2.1
71.57750	1.1
121.02868	1.8
378.39420	0.7
379.30045	2.3
391.29968	2.5
409.31125	1.6
420.27530	1.1
441.30035	1.5
471.30692	1.3
483.31100	13.7
484.31671	2.3
501.32214	100.0
502.32648	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	502.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01026	0.1
59.01249	1.0
61.41842	0.1
64.99971	0.1
71.01254	0.3
71.13196	0.2
71.13554	0.2
78.95776	7.6
83.04892	0.2
88.93538	0.1
92.68990	0.1
113.05988	0.2
115.56941	0.1
127.07497	0.1
152.99478	0.8
168.04214	2.2
171.00468	0.2
197.11710	0.2
224.06885	1.2
233.22726	0.4
242.07971	3.3
243.08298	0.2
259.20663	0.5
275.20270	0.3
277.21713	100.0
278.22055	9.1
286.14838	0.1
310.89069	0.1
346.64621	0.1
392.70685	0.1
502.29404	5.0
503.29608	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69606	0.1
59.01250	0.9
62.01789	0.1
62.96281	0.2
70.96382	0.2
71.01252	0.2
74.49163	0.1
76.79872	0.1
77.54166	0.1
78.95774	24.0
79.65391	0.1
83.04900	0.2
96.95880	0.1
96.96826	0.5
101.07740	0.1
104.97343	0.1
122.98402	0.2
127.07543	0.2
134.98428	0.2
141.44547	0.1
150.97966	0.1
152.98306	0.2
152.99486	2.6
168.04222	3.7
194.05826	0.2
205.19524	0.2
216.45908	0.1
224.06879	11.4
225.07199	0.3
233.22649	0.3
242.07947	2.5
243.08240	0.1
259.20715	0.5
260.12375	0.1
275.20129	0.4
277.21707	100.0
278.22049	8.7
391.24097	0.1
413.20786	0.1
496.70599	0.1
502.29382	19.7
503.29681	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	501.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26232	0.3
59.01253	100.0
59.75402	0.3
60.01583	1.1
64.13984	0.3
70.77112	0.5
70.77448	0.8
71.01273	1.5
72.99176	0.3
73.02831	0.4
85.02832	0.4
89.02318	0.8
89.53330	0.3
96.80424	0.3
101.02367	0.6
111.00758	2.0
113.02349	0.8
119.03402	0.3
125.02364	0.4
151.00333	0.9
178.99857	1.2
193.01424	0.6
278.63763	0.4
344.57126	0.4
399.24033	0.4
414.72003	0.4
424.08762	0.4
508.07361	0.4
524.11810	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01588	1.0
69.46491	1.8
71.01252	1.3
73.02834	0.7
85.02850	0.3
87.00768	0.4
89.02342	0.6
98.19746	0.4
101.02320	1.2
109.02834	0.5
111.00761	0.5
112.87262	0.2
113.02346	0.5
119.03437	0.3
121.70217	0.2
123.04428	0.4
125.02325	0.4
136.94337	0.2
180.59386	0.2
289.07236	1.1
297.04013	0.5
297.11438	0.9
404.67456	0.2
409.21762	0.2
463.02756	0.3
501.21362	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.307
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18796	1.5
59.01252	100.0
60.01589	1.7
71.01263	4.4
72.72340	1.4
78.95785	7.1
85.02846	2.5
89.02303	2.4
89.62486	1.2
98.20579	3.4
98.22870	1.5
101.02325	2.8
113.02334	5.1
119.03433	2.4
121.40242	1.5
129.78450	1.4
131.36920	1.3
152.87762	1.4
152.99480	7.0
161.04453	1.7
176.88536	1.4
221.51321	1.6
229.35974	1.7
279.23300	96.5
280.23608	7.2
343.34512	1.7
351.35431	1.5
365.01691	1.5
433.23807	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	501.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.1
57.03060	1.0
57.03317	7.1
57.38857	0.8
58.00454	1.5
59.01252	100.0
60.01601	1.2
61.51568	0.7
61.98706	1.9
68.99672	1.0
69.03323	1.8
70.36844	2.5
70.37247	1.9
71.01255	35.4
72.99189	6.6
73.02808	5.1
75.00351	1.8
75.00745	17.7
78.95769	2.1
80.02556	1.7
83.01242	3.0
84.02084	1.0
85.02824	36.0
86.03152	1.0
87.00761	7.9
89.02319	18.8
94.42489	0.9
94.43093	0.9
95.01270	8.0
96.95897	8.2
96.96831	2.0
97.02831	1.4
97.06445	1.2
98.20187	2.0
99.00754	14.2
99.04382	3.7
101.02339	10.1
101.05964	16.1
103.00247	2.2
109.02836	1.4
111.00758	2.2
113.02331	36.0
114.02644	1.2
115.00240	1.6
117.01826	3.0
119.03360	2.0
121.02847	1.3
123.04426	1.9
125.02335	9.2
126.02662	1.2
129.01833	2.7
131.03386	2.3
137.02332	1.4
143.03419	1.3
149.02386	0.9
149.04453	1.3
161.04433	2.0
163.11301	0.9
165.12761	5.0
169.01340	2.0
175.02383	3.0
175.03815	1.4
179.05579	1.4
189.12764	3.2
191.01936	2.8
191.05649	0.9
191.10646	1.2
193.03439	3.7
205.07127	3.3
207.13812	8.9
208.28419	0.9
209.08557	1.0
209.11798	13.1
225.14978	1.3
231.05179	1.2
233.06613	4.1
233.11852	1.2
243.62056	1.1
247.08229	1.8
249.06128	10.7
251.12920	3.6
267.07172	2.5
269.13959	6.2
274.39252	1.0
285.21414	0.8
293.08710	5.7
309.08279	5.9
354.20596	1.2
369.17883	1.0
439.19623	2.8
457.20728	13.7
458.21146	2.0
483.18961	7.4
484.18332	1.4
501.19717	81.4
501.30252	4.5
502.20230	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	501.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.7
57.03328	5.5
58.00445	1.1
59.01253	36.2
61.98687	1.8
69.03318	1.6
69.11552	0.8
71.01253	32.1
72.99177	7.4
73.02834	9.0
73.41962	0.8
75.00747	41.1
81.54993	0.7
83.01260	5.0
85.02826	39.8
87.00759	11.6
89.02319	11.2
93.03310	2.1
95.01269	4.9
97.02807	1.4
98.20586	1.3
99.00755	12.2
101.02323	9.1
103.00281	1.4
103.36707	0.8
111.00747	1.7
113.02332	40.6
114.02670	1.2
115.00250	4.6
115.72926	0.8
117.01770	2.5
119.03381	2.0
119.04941	1.3
121.27699	0.8
125.02338	4.5
129.01819	2.0
131.03384	3.8
137.02304	3.7
138.05484	0.9
141.01808	1.0
142.04865	0.8
157.01305	2.5
163.03925	1.3
169.01318	1.9
173.04498	7.4
175.02438	6.7
179.05452	1.0
191.01826	1.6
191.05605	1.8
209.02966	1.5
215.05489	2.2
267.07425	1.1
339.47107	1.0
397.14954	2.1
441.13962	1.6
444.49875	1.0
483.15457	1.2
501.16095	100.0
502.16241	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	501.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.7
57.03328	5.5
58.00445	1.1
59.01253	36.2
61.98687	1.8
69.03318	1.6
69.11552	0.8
71.01253	32.1
72.99177	7.4
73.02834	9.0
73.41962	0.8
75.00747	41.1
81.54993	0.7
83.01260	5.0
85.02826	39.8
87.00759	11.6
89.02319	11.2
93.03310	2.1
95.01269	4.9
97.02807	1.4
98.20586	1.3
99.00755	12.2
101.02323	9.1
103.00281	1.4
103.36707	0.8
111.00747	1.7
113.02332	40.6
114.02670	1.2
115.00250	4.6
115.72926	0.8
117.01770	2.5
119.03381	2.0
119.04941	1.3
121.27699	0.8
125.02338	4.5
129.01819	2.0
131.03384	3.8
137.02304	3.7
138.05484	0.9
141.01808	1.0
142.04865	0.8
157.01305	2.5
163.03925	1.3
169.01318	1.9
173.04498	7.4
175.02438	6.7
179.05452	1.0
191.01826	1.6
191.05605	1.8
209.02966	1.5
215.05489	2.2
267.07425	1.1
339.47107	1.0
397.14954	2.1
441.13962	1.6
444.49875	1.0
483.15457	1.2
501.16095	100.0
502.16241	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	501.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30761	0.5
50.38897	0.5
50.48198	0.6
50.88124	0.5
59.01252	100.0
60.01588	1.3
71.01250	4.3
73.02831	1.0
81.25339	0.6
85.02834	1.4
85.41206	0.5
89.02333	1.3
98.19661	1.0
101.02351	1.4
113.02375	1.2
123.00779	1.0
125.02368	1.7
134.11745	0.5
136.68085	0.5
148.05202	23.7
149.05606	1.3
161.04497	1.6
163.07564	27.3
164.07942	0.7
165.00142	1.0
169.01375	1.7
181.17973	0.6
183.02924	0.7
205.87625	0.6
229.56342	0.8
235.08202	0.8
297.04309	1.1
297.07779	1.4
327.05569	0.8
356.40891	0.6
393.22168	0.7
399.16937	1.1
501.19409	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	500.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	4.5
59.01256	83.5
61.98721	5.2
67.28998	3.4
69.34650	14.7
69.35077	20.2
69.39082	2.9
71.01254	38.1
72.99188	4.8
73.02847	7.5
75.00744	7.6
83.01292	3.9
84.00787	4.6
85.02824	42.5
87.00738	3.5
89.02325	8.5
96.95927	6.9
98.19827	6.2
99.00777	7.7
101.02327	11.1
110.02370	7.4
113.02345	8.6
115.00269	9.4
119.04944	7.3
121.02829	8.0
125.02337	12.6
129.01836	13.9
137.02374	4.2
143.03447	4.7
147.04448	22.8
148.05205	20.1
159.04353	6.0
162.06757	3.8
163.07596	3.6
165.05481	5.5
172.02495	17.1
174.03268	5.8
176.04715	7.5
180.04175	4.5
191.05566	11.9
191.07106	29.8
194.05826	4.8
198.05594	5.7
205.03519	9.0
206.03886	3.5
237.05632	8.8
239.07120	14.0
240.04248	6.4
241.04991	4.5
249.05670	6.1
251.07123	7.2
253.05182	5.6
254.76604	3.6
256.07437	9.5
260.09326	4.5
261.48889	4.7
264.06729	3.4
265.04913	5.5
267.06635	70.8
268.07315	19.6
271.09753	5.5
276.06500	5.4
278.05811	4.1
279.06543	7.0
282.09042	51.0
283.09561	10.7
292.06284	10.5
293.08060	7.2
294.07715	27.5
297.11319	56.2
298.11783	4.8
301.10855	10.7
302.11313	5.9
304.06265	6.4
305.08090	5.9
306.07779	11.2
307.08496	12.2
308.06580	6.5
309.10767	5.4
310.07205	18.8
319.08725	5.3
320.09262	18.2
321.10172	9.5
322.07211	40.7
322.10950	9.6
323.08875	12.0
325.09595	18.4
327.12418	13.5
331.67267	3.8
332.09229	10.3
334.10773	6.6
335.11526	15.7
336.08789	19.4
337.09531	25.9
338.10306	5.4
340.11905	62.6
347.11517	8.3
348.08554	4.5
350.14029	32.8
351.11270	11.6
352.11905	100.0
353.12094	11.1
362.14246	6.9
366.13474	77.2
367.13684	9.5
375.11105	4.6
378.13757	4.8
379.10217	4.0
394.12997	59.6
395.12570	10.8
396.14728	4.4
406.12894	64.9
407.13144	8.1
421.74268	3.9
424.14117	11.3
438.11810	37.4
439.12518	7.4
450.12018	7.0
468.13156	14.2
470.14499	17.1
501.19342	6.0
501.30823	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	501.125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89428	2.1
59.01238	8.4
61.52168	2.2
66.07613	2.2
69.41607	9.4
69.42038	11.8
70.79538	2.2
71.01244	6.5
83.01266	3.4
85.02818	5.5
89.02335	4.8
96.95897	6.2
97.02832	2.4
98.19820	5.4
109.02837	21.1
113.02301	2.3
125.02323	7.3
133.02875	6.4
135.04442	16.6
145.02846	4.2
146.03661	2.1
147.04422	23.5
148.05226	11.4
149.05991	67.3
161.02332	7.4
161.04710	2.8
161.05988	10.0
163.03951	5.0
163.07669	2.7
165.05431	2.5
173.05997	4.9
174.03125	2.5
175.03926	16.2
176.04659	5.1
177.01794	4.7
177.05449	5.6
181.83046	2.3
187.03941	3.2
188.04651	3.2
189.05476	18.4
191.07074	14.0
193.04985	9.4
205.05028	6.4
209.02975	3.2
215.06998	2.9
217.05051	15.0
219.02943	14.8
221.04568	4.5
235.06068	15.9
237.04021	25.6
259.06174	5.0
270.33481	2.5
279.05167	14.2
287.13840	2.4
371.91788	2.7
431.49362	2.5
439.12192	5.4
457.13455	10.5
501.12512	100.0
502.12833	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	501.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	2.0
59.01249	100.0
67.30997	1.4
71.01253	35.9
71.57790	1.3
73.02824	8.3
77.94934	1.2
83.01249	5.4
85.02831	16.0
87.00757	1.5
87.04392	2.3
89.02307	10.8
95.01258	2.4
97.29554	1.3
99.00754	3.7
101.02327	16.5
113.02321	14.8
119.03357	4.0
125.02324	5.1
132.01979	2.3
137.02324	2.9
143.03360	1.9
145.02820	1.6
146.25323	1.8
151.00256	1.5
159.02928	2.6
160.01556	1.9
161.04503	8.5
163.00249	2.9
165.01921	1.7
175.03847	1.5
178.99736	4.4
179.05540	1.6
191.05635	1.3
193.04991	1.7
195.04410	4.5
202.83728	1.2
211.03978	3.4
226.02724	1.6
239.03474	14.4
252.04289	1.9
253.04919	1.6
254.02087	2.3
254.05856	6.5
258.41714	1.4
267.02930	2.1
267.06808	1.4
268.03842	2.3
269.04645	1.7
271.06140	1.8
280.03787	2.6
282.05295	34.3
283.05832	6.5
289.07068	9.3
295.02975	1.3
295.06042	6.0
297.04129	3.8
297.07617	35.4
298.04794	2.1
298.08008	4.1
307.05981	3.8
311.05585	1.4
321.04004	1.4
339.05014	4.4
339.25378	4.2
480.53076	1.5
501.10779	7.4
501.24011	2.5
501.30682	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45591	0.8
55.01757	1.0
57.03302	3.6
58.20516	0.9
58.28913	0.8
59.01250	15.7
63.73192	0.8
68.99675	1.2
69.03325	0.8
71.01255	41.6
71.57083	1.5
71.57459	1.2
72.99183	10.8
73.02816	3.8
75.00748	37.1
78.95768	2.5
83.01239	3.1
85.02825	25.3
87.00763	9.2
89.02324	10.3
95.01273	4.1
96.95892	17.5
96.96844	2.9
97.02804	2.1
99.00763	25.1
101.02328	6.7
111.00741	1.6
113.02335	34.6
115.00291	4.3
117.01802	3.2
119.03384	2.1
125.02300	2.0
127.00254	1.3
129.01790	2.1
131.03380	1.1
141.01790	2.1
143.03389	4.2
147.04401	1.9
148.05208	100.0
149.05626	5.0
157.01353	12.6
159.02931	1.0
161.04425	3.9
163.07553	51.2
164.04662	1.2
164.07881	2.4
173.04425	2.0
175.02403	5.5
179.05597	1.0
179.07031	2.1
188.22627	0.8
199.02432	2.6
201.03983	1.4
203.05650	0.9
211.07928	0.9
217.03494	7.9
219.05043	1.4
223.09599	1.6
271.02533	2.1
277.05655	19.2
278.05823	1.7
299.02005	2.4
319.06769	3.9
337.07751	9.9
338.07788	1.0
339.03806	1.1
403.16019	1.0
480.31967	1.1
501.16125	72.2
502.09949	1.4
502.16513	7.0
516.38702	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01591	1.1
70.34638	1.1
71.01260	1.5
73.02822	0.6
83.01270	0.4
85.02846	0.4
89.02331	1.0
101.02351	1.0
102.04601	0.2
113.02357	0.6
113.05995	0.3
119.03423	0.6
125.02345	0.5
147.10550	0.2
161.04512	0.7
169.01181	0.2
191.03470	0.5
238.05159	0.2
244.42078	0.2
380.91461	0.3
397.22360	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
70.71893	5.9
72.70353	2.0
78.95779	2.4
101.02328	4.9
111.15374	1.9
113.02296	5.0
122.16494	2.1
144.82962	2.0
152.99471	2.3
225.22249	2.5
271.22739	3.6
277.21725	77.6
278.22089	6.7
291.23291	3.2
311.16812	2.4
319.23019	2.3
516.63739	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	500.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	8.8
59.01251	85.6
60.01611	3.0
61.98695	2.6
71.01260	33.3
71.58952	4.5
71.59344	2.3
72.99166	5.3
73.02820	6.7
73.29375	3.1
75.00758	8.2
78.98357	2.1
83.01277	3.2
84.00797	3.8
85.02821	32.6
86.03156	3.0
86.72608	2.7
87.00755	5.1
87.32607	2.0
89.02310	8.7
90.24218	2.3
93.03315	3.1
95.01281	2.8
96.95881	4.6
96.99152	2.1
99.00777	3.2
101.02325	10.7
107.04935	2.5
108.02079	3.2
109.02744	3.5
110.02363	8.7
111.00764	5.2
113.02322	10.6
114.01848	5.1
115.00258	6.8
119.03369	3.4
119.04914	5.5
121.02842	8.1
122.03677	2.8
123.04430	3.9
125.02326	11.0
128.03438	2.8
129.01857	14.6
130.02180	2.3
137.02226	3.7
141.03763	2.2
145.02847	6.2
147.04430	22.9
148.05185	22.4
149.02322	3.7
149.37434	2.6
150.03094	5.1
159.04434	2.4
159.91508	2.5
161.04475	4.7
162.03105	7.0
162.06775	5.3
163.07524	3.7
165.05490	5.8
165.07069	2.1
169.01273	3.9
172.02437	17.0
172.03816	4.3
173.04605	2.5
174.03227	3.2
176.04684	8.5
191.05528	8.2
191.07065	33.4
194.05833	6.1
198.05533	3.0
205.03545	3.7
206.03845	3.3
207.08188	3.0
214.05086	3.1
216.06685	2.9
221.05936	3.9
223.07687	5.8
237.05545	10.1
239.07088	14.8
240.04320	4.1
241.04897	6.2
244.10242	2.5
249.05646	8.2
250.06409	3.8
250.08734	4.4
251.07045	7.7
253.04980	7.3
256.07489	7.0
260.09314	5.4
260.67322	2.9
263.06915	3.4
264.04187	3.0
265.04974	5.0
266.05804	3.0
267.06628	78.2
268.07361	20.7
277.05127	5.8
279.06516	11.7
282.09024	44.8
283.09543	11.3
292.06088	9.4
292.09763	3.1
293.08109	6.6
294.07660	23.2
297.11316	56.8
301.10867	5.4
302.11227	3.4
304.06204	6.6
306.07596	11.9
307.08502	9.3
308.06665	4.5
309.10547	5.8
310.07202	19.1
320.05954	2.8
320.09399	15.6
321.09970	8.0
322.07196	46.3
322.10785	14.4
323.09171	12.7
324.12216	3.4
325.09552	20.8
327.12488	16.5
332.09232	10.6
334.10843	7.7
335.11536	11.1
336.08646	18.5
337.09598	20.1
338.10379	4.1
340.11905	51.3
341.12268	4.3
346.10910	3.2
347.11545	6.6
348.08945	5.5
350.14078	30.4
351.11371	10.7
352.11884	100.0
353.11926	8.8
358.95645	2.5
362.13913	6.7
366.13428	73.5
367.13693	9.4
375.11292	3.5
376.08041	2.8
378.13504	5.4
379.10416	3.4
391.10562	3.4
394.12979	60.9
395.12103	12.8
396.14673	3.9
406.12927	55.9
407.12729	7.9
424.13861	12.3
438.11984	39.9
439.12277	4.5
449.36908	2.7
450.12314	4.8
467.38287	2.5
468.13095	14.5
470.14407	15.1
482.14587	5.2
500.17001	3.5
500.25595	3.3
501.19189	4.9
501.30682	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	499.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28018	0.3
50.73661	0.3
57.03334	0.3
59.01253	100.0
60.01588	1.3
70.83186	0.4
71.01260	4.1
71.57571	0.4
73.02839	1.4
74.80664	0.3
78.95801	1.0
85.02853	1.0
89.02290	1.8
101.02318	2.0
113.02361	2.2
119.03446	1.3
125.02316	0.4
149.09679	0.9
152.99484	0.8
161.04494	1.0
179.05574	0.4
248.46275	0.3
326.08054	0.3
358.88477	0.3
475.02570	0.3
499.28540	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1978
Annotation	Verrucarin M
Peak:m/z	Relative Intensity
51.28599	0.5
53.91985	0.6
56.85077	0.6
57.03324	6.5
58.17336	0.6
59.01248	9.5
61.98695	2.4
63.11041	0.5
64.11475	0.6
69.03303	1.0
70.08931	3.1
71.01248	2.6
71.17475	0.6
72.99178	0.8
81.03323	2.4
82.06136	0.6
83.01260	6.4
85.02827	2.7
89.02330	1.1
91.16764	0.5
93.03349	1.5
95.01242	0.8
95.04893	1.5
97.02837	2.6
98.20512	1.2
99.04393	1.0
101.02331	1.7
107.01249	0.7
107.04915	0.7
107.81268	0.6
108.02039	1.9
109.02847	1.9
113.02322	2.0
117.95728	0.6
121.02846	2.3
122.03633	6.5
123.00746	0.8
123.04364	3.2
124.01566	1.1
125.02341	35.4
126.02724	0.9
134.03467	0.7
135.04439	2.9
136.01585	1.3
136.05222	2.9
137.02353	19.8
138.03111	0.6
139.03922	1.4
146.03621	1.9
147.04459	0.7
148.01537	0.7
148.05194	1.2
149.02380	1.4
150.03099	3.5
151.03941	1.2
159.04382	0.8
160.05212	1.3
161.02303	1.5
161.05971	2.2
162.03152	2.9
164.01060	5.4
164.04675	1.5
165.01843	13.5
166.02260	1.0
167.03415	5.2
168.70357	0.6
172.05280	1.4
173.05907	1.1
174.06665	0.8
175.03882	1.4
175.07553	0.8
176.04677	0.7
177.01801	0.6
179.03395	7.4
187.04045	0.9
188.04668	1.0
189.05438	0.8
200.04704	0.8
201.05481	2.4
202.06250	1.6
203.03326	0.7
204.04204	5.0
213.05507	1.9
215.06960	0.7
226.06335	1.1
243.06592	0.8
244.07312	1.6
257.15231	0.9
258.08798	0.7
259.17023	1.3
271.17059	0.7
273.14978	12.2
274.15521	0.8
285.14914	1.5
287.16489	6.6
288.06384	2.4
291.16010	2.5
297.14923	1.1
303.16092	1.0
313.14374	1.0
315.15988	6.9
316.16293	1.0
319.15594	3.2
325.18054	1.6
331.15482	1.1
333.17020	2.8
339.19470	1.1
343.15411	1.0
343.19156	1.0
355.15170	0.9
361.16470	6.1
362.16589	0.8
367.19037	2.8
369.17181	0.8
371.18857	0.9
373.16623	3.9
385.20132	2.7
391.19241	1.1
397.16562	1.5
409.20157	2.7
413.19867	1.5
415.17627	2.6
419.18628	0.8
427.21054	2.0
437.19614	1.8
455.20874	8.1
456.21039	1.0
463.17163	0.8
471.20093	1.0
481.18692	3.8
499.19742	100.0
500.20148	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	499.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67802	1.1
57.03330	8.6
59.01249	28.9
61.98698	6.6
62.70672	1.3
69.03332	3.1
69.44484	9.0
69.44901	2.0
71.01244	5.6
73.02815	2.5
81.03313	4.6
83.01257	9.7
83.04901	1.5
85.02811	4.0
89.02309	2.4
89.64125	1.3
93.03337	4.1
95.01271	2.3
95.04900	3.3
97.02825	5.5
99.00831	1.3
99.04397	1.5
101.02347	2.4
109.02838	26.4
111.00758	3.0
111.04392	1.6
113.02342	3.2
121.02844	9.7
122.03680	7.1
123.04396	14.6
124.01559	2.3
125.02336	69.5
126.02672	2.6
127.03942	2.7
133.02864	1.4
135.04388	3.7
137.02341	72.1
138.03152	2.3
139.03894	3.5
139.07538	2.3
145.02863	10.4
146.03600	4.0
147.04388	1.6
149.02344	14.3
150.03114	17.1
151.00291	1.5
151.03903	14.2
151.07529	2.6
152.17476	1.2
157.06526	2.7
158.03775	1.5
159.04460	9.6
160.05148	2.5
161.02386	6.1
161.04646	1.9
161.05969	11.5
162.03116	3.3
163.03819	1.3
164.01035	7.2
165.01854	41.0
165.11560	1.3
165.12733	6.7
166.02524	1.6
167.03400	2.9
173.05969	2.4
174.03056	1.7
175.03941	7.4
177.01895	1.7
177.05482	2.7
179.03412	10.2
183.04401	3.7
183.13838	25.5
184.14177	1.9
185.05992	4.3
187.03928	8.0
188.04756	4.3
195.06548	5.7
199.03894	1.4
199.07503	2.3
200.04561	1.5
201.05472	10.8
202.06206	2.5
203.03337	2.3
203.07101	15.7
205.04971	5.3
209.06216	2.1
211.13350	4.4
215.07002	1.8
217.04935	2.1
219.06607	2.6
225.05556	1.6
227.07071	4.4
227.12852	27.6
228.13312	1.6
229.04955	1.7
238.46959	1.5
243.06549	4.4
245.04449	1.7
245.08179	16.4
246.08456	2.1
247.06049	1.7
253.05051	5.2
259.06122	7.7
271.06113	19.0
272.06482	1.7
287.05640	22.4
288.06326	13.9
289.07181	100.0
290.07550	9.6
301.03549	1.6
349.16638	2.4
361.16394	4.4
369.20978	1.9
411.22012	1.6
437.19443	3.0
455.21014	8.5
455.33585	2.4
481.18716	3.0
499.19836	13.5
499.28568	2.9
500.20212	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	499.1978
Annotation	Verrucarin B
Peak:m/z	Relative Intensity
56.19852	1.1
57.03326	13.4
59.01256	12.3
69.03300	2.4
69.51046	9.4
71.01253	5.2
81.03326	3.2
82.96044	1.1
83.01268	10.2
85.02831	3.6
85.03949	2.1
93.03316	2.8
95.01253	1.4
95.04900	2.0
96.95880	1.1
97.02825	3.0
98.49528	1.1
99.04414	2.1
101.02332	1.7
108.02061	1.3
109.02230	1.1
109.02832	6.8
113.02321	4.2
118.64500	1.1
119.04867	1.1
121.02831	3.8
122.03611	2.2
123.04404	1.9
124.01582	1.7
125.02340	100.0
126.02697	2.0
128.03442	3.6
135.04460	5.7
135.05371	1.3
137.02345	54.2
139.03871	1.1
146.03625	21.2
147.04353	2.1
149.02203	1.2
150.03087	2.2
151.03850	3.1
157.06085	2.2
159.04393	4.9
160.05338	2.7
161.02374	2.4
161.06003	2.7
162.03113	1.3
163.00186	1.7
164.01060	9.4
165.01837	33.5
166.02304	2.2
167.03403	17.2
169.01357	1.8
172.05205	3.2
173.06055	3.6
174.03131	7.4
174.06752	3.9
175.03799	1.5
176.04630	1.4
176.32037	1.2
177.01802	3.4
179.03398	15.5
183.04558	1.2
185.05913	2.5
186.06737	2.4
187.03935	1.7
187.07559	1.5
188.04660	4.1
196.05339	1.2
200.04729	3.3
201.05457	2.4
202.06140	1.4
204.04256	3.2
205.12247	1.4
209.06093	1.4
210.06702	1.5
211.04012	1.8
212.04720	4.5
225.05482	3.5
226.06313	1.5
227.07080	1.3
228.07797	1.3
236.04916	1.4
237.05646	2.9
243.13831	1.6
250.06413	1.4
251.07086	3.0
252.07883	3.3
267.07108	2.0
268.07352	2.3
270.09052	3.6
271.13376	17.8
272.13782	2.2
283.13397	4.3
286.10355	1.8
288.06216	2.3
289.14465	7.6
294.08890	2.0
295.13226	2.4
297.14981	2.6
299.13007	2.7
301.14444	3.8
309.14984	1.5
313.14413	5.0
315.15884	6.1
317.13913	6.1
319.15482	1.4
320.09256	3.1
321.09576	2.5
325.14545	6.7
326.14725	1.6
327.15863	1.8
331.15491	5.1
337.14392	4.2
343.15463	14.5
344.15894	1.5
353.17609	2.4
355.15482	5.6
361.16507	6.8
377.17865	1.7
395.18582	4.0
397.16400	1.6
401.17657	2.1
411.91580	1.3
413.19724	2.1
419.18613	7.0
437.19693	19.7
438.20081	3.9
455.21225	1.4
463.17551	4.5
481.18713	23.9
482.19034	3.8
499.19681	29.2
500.19910	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.6
57.03315	0.3
59.01253	10.7
63.06502	0.2
66.92802	0.2
69.03349	0.3
70.91172	0.2
70.91534	0.5
71.01254	8.9
72.99183	0.3
73.02817	6.0
83.01254	1.3
85.02827	3.0
87.00764	0.5
88.86805	0.2
89.02319	2.6
92.12709	0.2
95.01298	0.4
97.02828	0.6
99.00758	5.9
101.02327	4.5
113.02338	7.3
116.56915	0.2
119.03367	0.3
121.02783	0.4
122.03606	0.5
125.02323	1.2
131.03381	1.0
143.03391	0.6
147.04439	0.7
148.05205	94.0
149.05609	4.0
159.02890	0.5
161.04460	3.7
162.52614	0.2
163.07558	100.0
164.07904	4.2
191.05540	0.7
203.05556	0.9
275.07721	0.4
290.35791	0.2
302.11057	0.2
325.12778	0.5
325.44244	0.2
367.14005	0.9
439.16101	0.4
441.70407	0.2
457.17160	16.2
458.17529	1.9
499.18237	14.1
500.18692	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	499.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32736	1.5
57.03324	96.9
58.03651	2.4
58.27360	1.4
59.01251	100.0
71.01250	6.7
71.58015	3.1
73.02809	2.1
78.95793	2.6
81.03343	1.8
83.01286	1.9
85.02812	4.4
95.01270	2.2
99.00791	1.5
99.04393	87.3
100.04689	2.3
101.02315	15.9
113.02332	3.2
123.00762	2.7
125.02326	42.8
143.03429	1.6
151.00266	3.3
158.69170	1.7
161.04453	3.7
162.45410	1.9
169.01335	7.4
195.51111	1.7
269.10254	1.6
311.11386	2.1
327.68820	1.7
360.52054	1.8
499.18173	17.1
500.18399	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18716	0.7
55.01756	2.4
57.03326	13.9
58.00468	1.0
58.03669	0.8
59.01253	25.3
59.98402	1.1
67.01752	2.6
68.99676	3.4
69.03332	1.9
70.38206	2.5
71.01259	35.9
72.01588	1.0
72.99187	12.3
73.02821	3.8
75.00748	30.1
79.05382	1.2
81.03336	1.7
83.01273	2.5
83.04900	1.9
84.02058	1.0
85.02828	46.2
87.00756	11.4
89.02325	8.1
91.03857	1.4
93.03342	1.8
95.01275	9.1
97.02853	1.5
99.00759	16.9
99.04401	11.6
101.02325	3.8
103.00249	4.2
103.03946	0.9
105.14654	0.6
107.04902	0.8
109.02841	1.8
111.00757	3.8
111.04427	1.3
113.02338	42.6
115.00305	4.0
117.01820	5.2
119.04926	2.3
125.02353	4.0
129.01837	7.9
130.99854	0.8
139.00269	0.8
147.02950	1.1
149.04483	0.8
149.06023	1.0
150.06787	1.7
157.01375	2.6
161.04584	0.9
161.05959	1.7
161.13280	8.8
164.95444	0.7
169.01328	1.6
175.02400	4.9
175.03702	0.8
181.04987	1.9
185.09598	0.9
185.51706	0.8
187.09772	0.8
187.11200	4.7
189.03862	0.9
191.01846	2.3
205.03510	3.2
205.07162	2.6
205.12297	15.7
206.12598	1.2
207.05048	1.4
209.02982	4.4
221.08133	1.0
223.04605	2.2
231.05000	4.0
231.10164	1.5
243.87016	1.1
249.06142	47.1
249.11307	13.0
250.06480	1.5
251.09291	1.4
267.07214	67.5
268.07541	1.9
281.10336	2.0
299.15897	0.8
300.02600	1.0
301.03574	2.5
323.14978	2.6
353.10974	1.2
371.58292	0.9
392.00452	0.9
400.13718	3.7
437.18015	1.9
452.33218	2.2
455.19250	19.7
456.19791	1.9
463.08698	1.2
481.17111	2.7
499.18311	100.0
500.18561	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	499.0733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31015	4.9
53.00191	8.6
53.99465	5.2
57.03324	12.8
59.01253	15.1
61.74362	5.5
63.39895	5.3
67.01758	7.1
68.71488	5.4
69.81594	8.6
69.81918	37.2
70.29262	4.9
71.01249	20.6
72.99194	7.0
75.00778	6.4
80.99690	15.8
83.01259	13.0
85.02828	92.3
87.00747	9.5
88.44624	5.4
89.02325	6.9
89.66208	5.2
89.68385	7.0
93.03358	6.1
95.01273	22.2
99.00771	8.7
108.02051	61.4
109.02853	24.5
111.00751	39.7
111.95731	5.5
113.02323	9.9
119.04997	6.1
121.02866	8.7
123.00777	45.7
124.01556	26.1
125.02337	80.8
127.00266	10.2
129.01842	16.2
135.04433	6.1
136.98740	7.2
137.02365	6.3
139.00267	56.6
140.01054	5.9
141.01843	10.8
147.02899	9.0
151.00317	5.6
152.01067	100.0
153.01886	33.3
154.99799	21.2
155.03406	6.3
156.06674	6.9
164.98186	10.4
165.01839	6.3
166.99785	64.7
168.00563	77.8
169.01343	68.2
179.03400	11.8
182.99179	14.3
184.00035	6.0
185.00882	15.4
191.01926	19.7
205.03587	11.0
209.03000	40.1
211.02518	17.0
223.04630	6.2
255.10355	11.7
271.04599	40.6
313.05597	15.4
315.07278	45.8
316.07440	7.6
331.06677	72.9
437.07236	13.7
455.10339	6.8
481.06311	42.0
499.07086	34.4
500.07233	7.6
513.95074	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	499.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.6
69.03325	2.5
71.01263	2.3
71.38760	2.4
71.39124	1.2
72.99181	1.5
82.50965	1.1
85.02821	8.7
91.56176	1.1
95.01257	5.5
97.02811	2.9
109.02867	2.2
109.99952	1.4
111.00764	9.1
119.04889	1.4
123.00764	21.1
124.01582	11.0
125.02335	47.2
126.02644	2.9
126.11995	1.1
129.01840	2.4
135.04375	3.0
137.02341	2.8
139.00276	16.6
140.01012	4.1
141.01859	2.8
149.99496	22.9
151.00255	4.8
152.00867	1.4
153.01775	2.6
163.03899	2.4
164.98158	3.4
166.99768	29.4
167.03415	3.2
168.00552	59.5
169.01326	22.9
170.01735	1.3
179.03412	2.0
182.99316	1.7
184.00038	15.6
185.00868	7.2
191.01924	1.8
192.68535	1.2
205.03499	1.9
209.03009	5.7
211.02388	4.7
229.24817	1.1
255.10326	1.8
271.04636	6.5
274.01297	1.3
313.05649	13.8
314.05997	1.8
329.05157	1.6
331.06683	100.0
332.07120	5.9
343.07938	1.4
347.06226	4.4
437.07343	1.5
455.08401	1.9
463.04938	3.7
481.06143	19.7
499.07224	48.2
500.07434	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	499.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34412	1.8
54.23979	2.1
56.04360	1.9
58.63882	1.8
59.01247	7.7
62.21657	1.9
63.11001	1.9
67.01750	2.2
69.64863	4.0
69.65261	14.0
71.01236	5.2
89.02316	4.5
91.66095	1.9
95.01244	6.7
101.02337	4.3
109.02760	2.3
111.00765	12.1
113.02372	2.3
122.16553	2.3
123.00773	18.2
125.02323	15.4
131.13249	1.9
134.18068	1.9
139.00264	19.9
141.01813	3.1
151.00194	11.0
166.99760	43.9
167.01180	2.6
168.00456	2.3
169.01352	36.1
170.01683	3.7
185.00864	21.0
190.99838	2.2
209.00990	2.0
211.02425	8.4
271.04544	8.1
275.01828	2.4
277.19647	1.8
287.04150	2.0
324.59766	2.0
329.05072	3.6
331.06699	100.0
332.07001	8.6
333.07480	3.0
347.06134	9.0
437.07068	2.6
470.29980	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	499.073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	6.0
62.69297	3.5
67.01763	5.9
69.03326	4.0
71.59369	6.5
78.54751	3.3
82.49535	3.3
85.02828	11.7
94.31419	3.2
94.70412	3.4
95.01286	15.7
102.91309	3.9
107.01269	5.9
110.18659	3.7
110.19393	3.8
111.00780	32.6
112.67739	3.4
123.00772	40.2
125.02337	76.7
128.60085	3.2
139.00272	40.9
140.01106	17.3
141.01852	57.2
149.00050	4.4
153.67917	3.7
165.99010	3.5
166.99776	76.5
168.00504	15.0
169.01346	100.0
169.02777	5.3
170.01733	4.9
184.00055	23.2
185.00874	20.2
189.45047	4.2
194.99243	7.3
211.02458	9.2
220.80205	3.4
271.04590	26.9
303.07260	18.2
313.05679	8.3
329.05115	6.7
331.06699	77.1
332.06918	7.6
347.06326	7.6
382.30017	3.8
401.85730	3.7
437.07132	12.1
455.08228	22.3
481.06076	7.0
499.07333	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69267	0.8
59.01252	100.0
59.48848	1.0
60.01597	1.0
61.98703	2.8
68.36798	0.9
70.15819	2.5
71.01256	2.8
72.99184	4.1
73.02821	1.6
78.95768	1.9
84.47649	0.9
86.61710	0.9
89.02328	2.7
95.01283	1.0
98.19972	1.2
98.20503	1.3
101.02322	2.0
109.02782	0.9
113.02338	1.4
125.02323	3.7
149.04507	1.7
150.03186	1.3
152.99477	1.8
158.21037	0.9
167.10699	1.3
171.64854	0.9
193.67358	1.1
195.85362	1.0
280.58942	0.9
293.08826	4.6
329.06320	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	497.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.5
56.48739	0.4
57.03328	0.7
58.00455	0.4
58.73821	0.4
59.01255	100.0
60.01583	0.9
61.98705	2.0
69.41455	0.4
71.01256	10.5
71.60679	0.4
72.99203	1.0
73.02822	1.6
78.95781	6.0
78.96214	0.5
83.01266	1.0
85.02839	2.3
87.00809	0.6
89.02323	10.6
90.23132	0.4
95.01278	0.9
97.02871	0.5
99.04451	0.5
101.02334	6.8
113.02338	4.5
119.03406	5.4
123.48290	0.4
125.02358	1.4
131.01364	0.5
131.03496	0.7
137.02391	0.7
143.03439	1.6
149.04501	0.6
152.99506	6.6
161.04530	1.6
165.01828	0.4
176.44785	0.5
179.05524	3.0
195.06673	0.6
209.08362	0.4
215.45572	0.4
285.04089	0.5
303.75278	0.4
391.07907	0.5
437.25217	3.4
497.26096	3.2
498.27414	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	6.1
59.01246	32.9
62.73637	5.4
63.53795	4.5
64.60011	4.3
69.52264	27.7
69.52692	12.9
71.01254	28.0
72.99179	25.9
73.02828	5.9
75.00751	25.6
83.01246	6.3
85.02818	24.6
89.02322	23.1
90.01839	10.1
91.00259	54.8
95.01250	5.8
97.02806	5.0
101.02338	14.2
111.00784	7.7
113.02330	16.0
119.02430	4.5
119.03391	7.4
123.00798	4.9
123.04415	16.8
124.01592	13.6
125.02348	100.0
135.04439	17.1
137.02336	7.2
139.00288	22.4
139.03961	6.9
141.01866	4.8
141.05490	19.9
151.00337	4.8
152.01062	8.2
153.01820	9.6
161.02393	9.6
168.00517	27.7
169.01366	61.1
179.03424	17.6
182.99324	6.4
183.02916	21.0
198.41188	5.9
241.03281	4.5
313.05640	13.0
327.07205	8.8
331.06656	15.0
335.07703	10.7
453.10782	10.5
479.04642	8.6
495.29776	5.6
497.09250	22.4
498.10266	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	497.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.4
57.03325	3.7
58.00476	0.4
59.01253	10.4
66.67602	0.4
68.99691	0.9
69.03323	1.2
69.55790	0.3
69.82932	0.3
70.75747	1.5
71.01255	20.6
72.99186	4.2
73.02822	3.6
75.00748	23.7
83.01251	3.3
85.02824	29.7
85.99988	0.4
86.03177	0.8
87.00755	8.1
89.02325	2.1
93.03345	0.7
95.00390	0.4
95.01262	3.6
97.02812	0.5
98.20455	0.4
99.00764	9.2
101.02326	6.2
103.00254	0.7
111.00780	1.9
112.01517	0.8
113.02335	26.4
115.00265	1.7
116.03424	0.5
117.01815	1.6
123.00804	0.6
124.01532	0.7
125.02354	3.4
129.01817	1.3
135.04407	3.8
137.02353	0.7
139.00258	0.6
139.03947	0.6
149.99483	1.1
151.00285	0.4
157.01308	1.2
161.02359	0.9
161.04440	1.2
163.03810	0.7
168.00565	1.4
169.01343	1.6
173.04364	0.4
175.02419	2.6
179.03419	3.6
181.04987	0.7
183.02937	0.8
216.10898	0.4
217.65244	0.4
321.19318	2.0
335.07703	2.4
335.11566	0.6
361.87515	0.4
362.12912	0.4
437.20303	0.4
497.22406	100.0
498.22763	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	497.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80129	2.6
57.03334	4.0
59.01253	100.0
59.82428	3.2
61.98706	22.5
62.19118	2.8
71.01257	43.3
71.37823	6.0
72.99194	3.9
73.02823	10.4
75.00738	4.8
78.95786	6.3
83.01291	2.9
85.02837	17.4
87.00757	5.7
89.02321	46.4
97.02842	5.4
99.00755	13.4
101.02320	19.4
113.02351	13.1
117.86797	2.8
119.03429	5.0
124.01649	3.1
125.02357	26.2
131.03421	8.2
137.02328	4.9
149.00826	2.8
149.04451	33.4
165.01852	5.9
167.10733	8.1
171.10252	5.0
184.90022	3.2
191.05510	4.8
199.98547	3.0
221.06572	4.4
233.06767	8.8
235.93843	2.8
239.42558	2.8
241.33896	2.8
251.07895	3.8
293.08786	70.0
296.74316	3.1
311.09937	3.3
329.06433	46.9
329.23245	5.2
330.06741	3.8
335.14944	3.4
335.22342	14.7
497.18042	21.9
497.25089	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	497.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	3.9
61.98647	0.6
70.06696	1.8
70.07108	1.0
71.01236	1.7
75.00762	0.5
85.02836	2.7
87.00729	0.6
89.02265	0.7
95.01260	3.4
98.19818	0.5
101.02335	0.8
109.02835	0.9
113.02294	1.1
119.04908	0.6
121.02851	0.9
123.00771	13.0
124.01569	15.7
125.02324	1.4
132.96324	0.6
135.04457	0.6
137.02371	0.7
138.03140	6.5
143.04939	2.3
145.02823	1.5
145.06482	3.0
146.03627	1.1
147.04346	0.7
159.04401	1.0
163.03922	5.9
164.04642	0.9
169.01317	0.7
170.02080	0.6
171.04396	0.8
173.02373	2.7
174.03207	2.7
175.03929	0.7
176.04788	1.0
177.05525	1.6
188.04723	1.6
191.03419	13.8
192.04201	49.6
193.04503	2.4
201.05473	0.9
205.03244	0.5
205.04973	2.4
211.13344	1.1
225.12813	0.8
227.14381	6.9
233.11797	0.6
234.82413	0.7
243.13867	1.4
245.15585	1.0
253.12302	2.1
255.13884	2.8
261.14905	1.0
271.13391	22.1
272.13721	2.0
273.15060	1.4
281.11789	2.9
289.14432	1.6
299.12891	30.4
300.13181	2.8
317.13931	45.1
318.14291	3.8
335.15002	100.0
336.15289	7.7
377.16080	2.2
377.82922	0.5
394.24149	1.0
497.20358	36.0
498.20676	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	497.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22289	4.3
56.37575	4.0
59.01249	4.8
65.00178	5.6
67.01760	9.7
69.37925	4.0
71.01249	4.7
71.06966	8.8
71.07310	4.7
75.00764	4.6
80.04932	10.3
83.01234	4.1
85.02837	5.5
94.06515	5.5
95.01273	14.8
96.95834	4.1
97.01566	5.2
106.02877	5.1
108.04405	4.6
109.02846	8.0
111.00774	27.7
120.04430	9.6
121.05244	8.8
122.06005	28.8
123.00790	12.3
124.07576	31.9
125.02336	84.6
135.04402	9.3
136.03912	9.8
137.99467	9.3
139.00269	65.3
139.03888	4.8
139.53728	4.0
140.01009	7.0
140.07106	6.0
148.03941	61.4
150.05493	14.5
151.00352	5.4
160.22261	4.3
166.04970	6.9
166.99780	15.2
168.00523	11.5
168.06532	23.4
169.01332	100.0
170.01610	4.2
179.03392	4.5
182.99298	13.4
183.02965	5.2
194.04495	5.3
197.07140	4.8
210.04097	5.6
215.11865	8.2
225.06673	7.3
227.08319	5.8
227.11792	20.4
229.01390	4.8
231.11377	17.4
240.08951	11.6
241.09727	8.6
243.11360	16.3
255.11440	25.3
272.11594	7.9
273.00348	5.4
273.12491	39.7
275.10385	15.3
287.07748	5.2
299.10193	6.1
301.05643	11.9
313.05612	16.6
316.10599	12.1
317.11411	59.8
331.06808	20.9
332.80991	4.0
335.12357	17.4
437.15451	11.6
453.06656	14.8
479.16592	25.5
498.05969	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	6.7
70.75696	6.4
70.76031	3.6
71.01261	11.7
72.99170	3.2
79.84238	2.8
80.04925	10.3
85.02834	11.1
88.10851	3.1
89.02297	7.1
94.06509	11.6
95.01287	3.0
99.00764	3.4
101.02369	3.9
106.02898	3.4
106.06528	6.9
112.03905	2.8
113.02318	4.1
120.04435	11.2
121.05234	5.2
122.06032	33.7
123.00758	4.2
124.01559	6.0
124.03864	3.6
124.07576	32.6
125.02328	16.8
136.03925	8.9
148.03955	79.3
149.04466	3.9
149.99504	10.3
150.05516	24.7
166.05013	12.9
168.00568	19.0
168.06607	16.1
169.01353	5.5
184.06187	3.5
192.73851	3.7
197.07198	5.2
198.07794	3.9
199.12256	3.8
200.09430	8.1
210.04018	4.6
211.08734	5.6
212.09480	13.9
215.11813	25.2
225.06624	28.1
225.10168	7.4
226.07280	4.7
226.11064	4.5
227.11819	33.2
228.12303	4.9
231.11282	5.6
239.08252	5.9
240.09009	36.5
241.09532	4.9
243.11380	18.0
255.11375	71.9
256.11679	3.3
273.12451	92.2
274.12872	5.1
287.10428	7.3
291.13556	11.7
299.10416	18.4
316.10645	13.3
317.11389	100.0
318.11826	7.7
325.68515	3.9
334.11749	6.9
335.12543	40.2
336.12729	3.2
437.15228	3.9
479.16650	63.5
480.17218	8.3
497.17557	13.5
497.22971	10.2
498.12540	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	497.1666
Annotation	Cypellocarpin A
Peak:m/z	Relative Intensity
54.47267	1.7
54.88146	1.6
57.03329	28.9
59.01255	15.9
61.98702	7.6
67.01744	2.7
71.01241	8.8
71.57653	3.1
72.99191	2.7
73.02833	2.1
81.03337	4.6
83.01241	2.1
89.02309	4.6
97.02831	4.3
99.04399	17.4
101.02331	13.1
105.32249	1.7
107.01288	3.1
113.02341	2.8
119.03391	2.1
121.10155	2.8
123.00736	8.6
124.01572	2.3
125.02341	31.5
137.02341	2.5
139.00314	4.5
140.01062	3.4
141.01831	3.0
151.00224	4.4
168.00539	8.2
169.01341	39.2
203.84412	1.7
211.02429	41.1
212.02750	1.9
214.97456	1.8
219.02985	9.1
227.97876	1.8
233.00890	1.8
234.05289	15.0
249.07646	11.7
259.05746	1.6
271.04587	30.0
272.04877	2.2
279.08807	21.6
284.03296	5.9
299.05621	13.2
345.15533	9.2
401.12842	1.9
401.69687	2.2
497.16614	100.0
498.17038	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	497.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27584	1.8
59.01248	5.5
65.00176	2.0
67.01767	3.2
70.88363	5.9
71.01253	6.7
75.00731	2.8
78.03368	2.7
78.36627	1.8
80.04926	10.3
83.01271	3.0
85.02818	3.6
87.00781	2.0
89.02322	3.3
94.06500	9.8
95.01257	9.1
95.90389	2.0
96.08057	3.6
97.01571	4.1
97.02870	2.6
101.02364	2.3
106.02882	8.2
106.06506	3.7
107.01271	2.4
108.04422	3.2
109.02829	4.1
109.48352	1.7
111.00146	2.1
111.00785	18.0
113.02332	4.1
120.04441	12.8
121.05219	5.8
122.06020	35.4
123.00777	9.4
123.06797	3.4
124.01545	2.2
124.03967	3.5
124.07581	37.8
125.02341	39.7
129.01941	2.2
136.03944	12.1
137.99486	4.0
138.05464	2.8
139.00281	42.9
140.00874	2.4
140.07108	2.8
148.03961	74.9
149.04294	3.4
150.05521	20.8
152.07132	3.7
154.99767	2.1
164.98203	2.6
165.99007	3.9
166.04976	13.3
166.41499	1.7
166.99765	10.5
168.00516	5.2
168.02859	2.0
168.06590	23.5
169.01357	61.1
170.01759	2.3
179.03391	3.3
182.99295	9.3
192.02945	2.5
194.04564	5.2
197.07188	3.3
210.04060	5.1
211.02464	5.0
212.09503	8.5
213.06624	2.4
213.10144	2.3
215.08203	3.3
215.11861	9.5
225.06602	7.5
226.10968	4.4
227.08359	2.6
227.11850	24.8
228.05162	2.1
228.08972	1.9
229.09674	3.5
229.13496	2.3
230.10323	4.1
231.11339	28.1
239.08122	2.4
240.09064	18.5
241.09694	8.6
242.10338	3.5
243.11359	23.2
244.11998	2.3
245.10490	3.1
245.12843	3.5
255.11398	38.3
259.10904	4.4
271.04599	5.8
271.10849	2.9
272.11618	12.7
273.12457	77.1
274.09729	3.9
274.12692	4.6
275.10400	18.8
276.10669	2.3
287.07608	4.9
287.10431	4.1
290.12811	3.2
291.13492	11.4
299.10306	16.2
301.05606	8.9
313.05609	9.7
316.10663	26.2
317.11414	100.0
318.11734	7.9
331.06705	22.5
334.11636	12.2
335.12482	26.8
345.04544	4.3
359.12125	2.2
437.15598	20.9
453.06143	9.8
454.07089	2.7
479.16693	56.7
480.17273	4.3
497.17844	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	497.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01569	2.0
71.01254	31.5
72.99191	1.4
73.02811	21.0
83.01253	8.5
84.29215	1.3
85.02821	7.9
87.00766	1.7
89.02313	8.2
95.01278	3.6
96.70223	1.2
99.00764	1.9
101.01694	2.1
101.02319	27.8
102.02689	1.3
113.02325	8.2
114.31046	1.6
119.03375	3.4
120.93476	1.2
123.00807	1.7
125.02328	11.0
131.03438	1.4
139.00235	2.7
140.01048	2.0
141.01817	1.3
143.03432	3.0
144.02765	1.2
149.04419	1.4
151.00264	3.4
161.04449	5.9
161.09583	2.1
167.99196	1.5
168.00523	3.4
169.01335	13.4
171.08109	1.4
172.08751	1.5
183.02844	2.1
187.11182	5.5
205.12291	11.7
211.02417	9.5
271.04562	16.9
303.76215	1.5
331.06845	1.9
339.08731	1.4
345.08240	8.9
367.17441	5.7
368.18344	1.4
409.18588	2.9
453.13669	2.5
497.13226	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1662
Annotation	Cypellocarpin A
Peak:m/z	Relative Intensity
56.57631	0.4
59.01252	100.0
60.01585	1.0
67.01779	0.4
69.43974	0.7
69.44376	2.3
71.01251	2.8
72.99138	0.4
73.02824	1.2
83.01307	0.6
85.02847	0.5
89.02318	2.2
95.01261	0.5
98.19743	0.5
99.00813	0.4
101.02333	2.9
107.01283	0.8
111.00780	1.0
113.02326	0.8
119.03394	1.7
123.00767	3.3
124.06208	0.3
125.02343	4.4
126.21740	0.3
136.98691	0.5
139.00267	1.2
140.01009	0.9
141.01845	0.7
144.79387	0.4
151.00206	1.8
168.00539	0.8
169.01353	4.2
183.02908	0.5
211.02429	1.5
271.04575	1.0
275.09241	0.9
287.09222	0.4
290.16675	0.4
313.05716	0.6
317.10223	0.8
345.15491	3.3
398.91556	0.4
438.23013	0.4
453.17609	4.2
454.17828	0.4
479.15698	1.7
483.75742	0.4
497.16644	14.5
498.17035	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	497.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	2.2
62.39063	0.6
71.01253	2.9
71.57174	1.1
72.99165	0.8
73.02828	1.2
83.01276	1.4
85.02839	1.6
95.01258	1.3
97.02831	0.8
101.02341	2.9
107.01263	1.7
109.62157	0.6
111.00761	1.9
113.02332	1.3
113.79949	0.6
116.92760	1.3
119.61773	0.7
123.00769	8.9
124.01601	1.4
125.02349	15.0
127.00269	0.9
136.98727	1.4
139.00241	4.2
140.01044	3.1
141.01848	1.5
149.62111	0.6
151.00288	8.4
168.00554	4.0
169.01355	13.9
182.99359	0.9
183.02924	2.2
193.07065	0.6
230.01964	0.7
331.06790	1.9
345.08261	100.0
346.08582	7.8
410.39160	0.7
437.19843	0.8
453.10895	1.4
497.08514	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	495.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	3.5
59.01257	100.0
67.65913	2.5
67.67708	2.5
71.01263	43.5
73.02815	14.4
73.70912	2.7
78.95775	13.1
83.01286	5.3
84.76427	2.4
85.02816	20.3
87.00744	2.6
89.02325	11.6
95.01234	4.2
96.96798	2.9
99.00807	5.0
101.02327	36.2
111.00824	2.5
113.02336	16.5
119.03426	3.0
152.99515	20.8
159.02908	4.0
161.04489	20.9
178.99812	2.8
211.13313	4.0
230.08026	3.1
273.24384	7.4
316.44882	2.5
435.29721	33.7
436.30154	2.6
486.29712	2.6
495.16513	2.9
495.27429	4.7
496.34668	2.7
523.78766	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	3.0
59.01245	7.1
60.02253	2.2
67.01769	4.2
69.03310	3.3
69.31728	23.9
71.01243	6.4
75.00751	3.7
81.03319	2.6
83.01276	5.1
83.04910	3.6
95.01250	2.4
96.98528	1.9
97.02826	3.5
99.00766	4.8
107.01267	3.8
108.91772	2.1
111.00755	31.7
121.02872	3.7
123.00771	12.4
123.04412	9.6
124.17649	2.2
125.02343	32.3
137.02347	12.7
139.00275	44.1
139.03922	2.6
140.01050	5.4
141.01860	20.7
151.00298	5.3
151.03914	2.7
152.99500	3.8
153.01845	6.5
159.62665	2.0
165.01855	33.9
166.99770	82.1
167.03430	32.6
168.00407	5.3
169.01360	39.5
170.01660	2.6
181.01358	6.1
182.02090	10.7
183.02911	100.0
184.03296	3.3
185.00854	18.5
191.03477	4.0
206.89317	2.3
211.02414	10.9
271.04590	21.8
271.07254	3.9
313.05643	18.4
329.08780	8.0
331.06671	3.1
335.03281	2.4
345.08252	29.5
346.08569	2.6
404.02563	2.2
425.63855	2.2
455.08112	23.6
479.08237	3.6
497.09329	56.0
497.33551	6.1
498.09915	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	495.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32597	0.4
59.01250	100.0
60.01583	1.4
62.36592	0.5
69.54713	3.4
71.01251	0.9
73.02826	0.6
78.95779	5.5
101.02383	0.7
125.02332	0.7
135.04439	1.1
136.44669	0.5
150.06787	0.4
152.99469	2.5
171.10159	1.1
299.02167	0.9
329.06796	1.5
383.96909	0.5
444.35251	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.4
57.03322	5.0
58.00467	1.0
59.01254	16.2
61.98690	1.7
64.75509	0.5
69.03329	0.8
71.01258	23.1
71.08939	0.5
71.09262	0.9
72.99180	5.2
73.02824	3.4
75.00749	28.4
78.95777	0.8
83.01272	3.1
84.02031	0.7
85.02829	32.1
85.99967	0.9
86.03171	0.6
87.00756	8.9
89.02319	1.9
95.01273	3.0
97.02825	1.3
99.00761	10.4
101.02314	6.2
105.62018	0.5
109.02829	0.8
111.00798	1.1
112.01550	1.1
113.02338	29.6
114.02649	0.5
115.00274	1.9
117.01832	2.0
121.02802	0.9
125.02342	2.0
129.01819	1.1
137.02315	0.8
149.04451	0.6
150.06752	0.7
151.03874	0.5
152.51451	0.5
157.01335	1.2
161.04469	1.9
163.07616	0.6
173.04427	0.9
175.02415	3.7
209.11931	0.5
232.03905	0.5
319.21082	2.7
361.11176	0.5
377.21924	0.9
384.06406	0.5
428.47546	0.4
435.23181	1.1
477.23239	0.6
495.24478	100.0
496.24802	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	495.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	2.0
57.03335	4.9
59.01251	13.9
61.98698	0.6
67.01746	0.6
68.99676	0.6
69.03340	0.8
71.01254	22.5
72.99172	3.7
73.02824	5.1
75.00748	26.4
78.95778	1.5
83.01261	3.7
85.02824	32.6
86.03217	0.7
87.00756	7.4
89.02334	2.7
95.01253	4.0
95.66283	0.4
97.02811	0.7
98.19708	1.0
98.20346	2.6
99.00759	10.8
101.02325	6.6
109.02821	0.6
110.79997	0.5
111.00729	1.2
112.01524	0.9
113.02332	26.6
114.02706	0.6
115.00279	2.5
116.01041	0.7
117.01797	1.2
121.02843	0.6
125.02339	1.4
129.01791	1.1
137.02283	0.8
148.43668	0.5
152.99474	1.8
157.01289	1.2
161.04497	1.5
175.02419	3.0
175.03731	0.6
187.52310	0.5
196.37679	0.5
229.66508	0.7
319.21265	1.4
333.20599	0.7
359.53137	0.5
377.21680	0.8
435.22693	1.0
495.24472	100.0
496.24838	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	495.2604
Annotation	Melissoidesin D
Peak:m/z	Relative Intensity
55.01754	1.0
57.03328	1.1
58.00470	0.5
59.01254	100.0
60.01591	0.7
61.98701	1.7
69.03349	1.2
70.36850	1.8
71.01257	26.1
72.99189	1.2
73.02821	14.2
75.00750	1.6
78.95795	0.7
83.01257	4.7
83.04890	0.5
85.02827	8.4
87.00780	1.3
87.04398	0.8
89.02325	8.8
95.01268	2.8
97.02847	0.7
99.00771	1.5
101.02328	16.3
108.02087	0.5
109.02853	1.4
113.02339	16.1
114.02617	0.5
119.03405	3.2
121.02796	0.5
123.00740	0.6
124.01625	0.5
125.02360	3.0
131.03412	1.2
136.05215	2.8
137.02394	1.4
139.04050	0.4
143.03372	2.3
145.02957	0.5
149.04529	1.1
151.07552	8.4
152.08353	11.3
153.08667	0.4
161.02364	0.6
161.04485	4.1
161.05865	0.9
162.49126	0.4
163.00305	0.6
165.01822	0.8
165.05495	0.5
169.01283	0.5
171.10460	0.5
177.02055	0.5
179.03564	0.4
179.05585	1.6
182.04439	0.4
190.02660	0.4
203.10683	1.0
217.12384	1.4
227.53511	0.4
263.75418	0.4
271.06091	0.8
273.18698	1.9
283.15613	0.5
285.07196	0.5
289.14539	0.7
291.19455	0.7
299.09439	0.5
327.21866	0.5
345.09891	0.8
417.23083	0.9
435.23895	8.4
435.29828	0.5
436.24344	1.0
453.24738	6.6
454.24240	0.7
495.18600	1.3
495.25635	5.9
496.26593	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	3.4
62.74500	0.5
64.58411	0.6
69.94497	1.1
69.94908	1.6
71.01249	3.0
71.91203	0.5
72.99169	0.5
73.02828	1.0
73.48622	0.4
75.00736	1.0
81.03342	0.5
85.02837	2.5
89.02345	0.9
93.90832	0.4
95.01254	0.8
101.02338	0.7
107.01316	0.5
108.02056	0.6
109.02859	1.2
111.00790	0.7
113.02329	1.5
121.02859	5.7
121.30109	0.4
123.00722	1.1
123.04404	2.3
124.01582	1.2
125.02341	5.0
135.04414	0.8
136.05194	1.3
137.02330	1.4
137.06032	0.8
149.02357	1.9
149.06052	0.7
150.03172	0.7
151.00302	1.5
151.03940	1.4
153.09196	0.6
161.04587	0.6
163.03925	1.9
164.04655	1.8
165.01862	9.8
165.03310	0.8
165.28386	0.5
166.02632	14.2
167.03450	10.4
169.01430	0.5
169.06178	0.5
177.01848	1.1
180.04196	5.9
181.04993	22.6
182.05328	0.9
189.01894	1.7
190.02675	0.7
195.06554	8.4
216.00554	0.8
217.01373	0.8
219.02925	0.7
224.59972	0.5
231.02831	0.5
241.05128	0.6
242.05814	0.5
253.04991	1.1
254.05821	1.4
269.08182	7.7
270.05423	4.9
270.08282	0.8
271.05927	0.6
283.09592	0.5
285.07684	19.9
285.10834	1.0
286.08057	1.4
300.10040	20.1
301.10553	2.4
315.12387	25.3
316.12766	2.4
317.11551	0.5
331.08139	1.0
332.08551	1.2
333.13422	100.0
334.13806	9.1
341.06754	3.3
342.07031	0.7
355.52927	0.7
373.29984	0.6
495.13284	3.9
496.13531	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2086
Annotation	Selexipag
Peak:m/z	Relative Intensity
57.03331	6.0
58.00474	1.6
59.01256	20.0
63.70774	0.9
67.01748	1.3
70.98097	1.9
71.01256	31.6
72.99186	7.5
73.02804	4.1
73.07410	0.8
74.58874	0.8
75.00752	31.4
83.01270	3.3
83.04885	1.1
84.02036	1.0
84.63661	1.0
85.02828	33.5
87.00764	8.9
89.02324	7.6
95.01261	4.0
96.08949	0.9
97.02818	1.4
99.00735	8.5
99.01257	0.9
101.02347	7.3
103.00245	1.2
107.78175	0.9
109.02827	2.0
111.00761	2.4
112.01534	0.8
113.02337	29.6
114.02662	1.3
115.00262	2.7
116.04943	0.9
116.28312	0.8
119.03390	2.7
121.02837	2.1
123.00788	1.3
123.04388	1.5
124.01524	0.8
125.02319	3.8
129.01816	2.0
131.03435	1.1
135.04402	1.9
137.02333	2.3
149.02385	5.0
151.00290	2.1
151.03830	0.9
152.01028	1.1
153.01837	1.6
167.03340	2.1
169.01404	4.5
173.04568	0.9
175.02406	3.9
176.01105	1.3
180.00607	1.1
181.05077	1.0
193.03456	1.7
201.11288	3.0
208.99167	2.4
209.11786	2.7
214.01804	0.9
249.06143	1.3
285.04120	0.9
300.06165	1.5
315.08801	8.4
319.03510	1.4
363.16602	1.0
372.25024	0.8
451.18195	1.7
477.19849	5.4
495.20889	100.0
496.21271	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	495.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17738	1.1
57.03311	1.9
59.01250	6.9
63.45667	1.2
65.00179	2.6
68.99701	1.4
69.33222	6.2
69.33661	5.3
71.01257	8.5
72.99165	3.1
73.02822	1.6
75.00753	29.9
80.09612	1.1
81.03320	2.1
83.01229	1.6
85.02830	7.6
87.00735	2.5
89.02297	2.0
93.03306	1.6
95.01250	3.6
96.99165	1.3
97.02834	2.1
99.00754	2.1
100.42848	1.2
101.02298	3.4
104.27470	1.1
107.01290	8.6
108.59769	1.2
109.02810	2.4
109.87914	1.2
109.99967	3.4
111.00787	7.0
112.89966	1.0
113.02317	5.6
123.00764	14.2
124.01527	2.5
125.02349	38.9
127.00232	1.7
135.04341	1.8
136.05203	13.0
136.98651	3.5
137.02354	2.5
139.00279	10.5
139.03831	1.3
140.00984	5.1
141.01801	1.8
149.02348	1.4
150.06728	4.4
150.99347	1.1
151.00284	13.5
151.03835	1.2
151.07506	4.0
152.00992	3.2
153.01843	7.3
162.06784	6.1
163.03821	1.2
163.07492	3.9
164.98154	4.5
165.05405	2.2
165.98930	4.2
166.02573	1.3
166.99673	4.2
167.03415	7.6
167.10674	1.2
168.00606	8.1
169.01343	51.0
170.01654	2.1
171.78981	1.1
175.00209	1.1
178.99788	12.4
179.03398	2.2
180.07858	11.5
181.08600	6.8
187.03856	1.2
188.83450	1.1
189.01875	1.2
193.01305	2.3
203.03426	1.7
213.01759	1.1
215.03436	1.2
219.02962	1.2
243.02937	2.2
258.01584	2.0
259.02533	1.7
262.69040	1.3
270.01398	1.1
271.02344	1.7
287.01807	4.9
288.02603	3.2
289.03354	2.3
297.06113	1.8
304.02072	1.8
313.02588	1.3
313.05603	10.3
314.05893	1.1
315.01526	8.3
329.08688	3.1
332.01666	17.0
333.02472	7.2
451.08701	1.3
477.05917	1.3
495.07547	22.4
495.14798	100.0
495.20490	5.0
495.31442	27.5
496.08414	2.5
496.15262	11.1
496.31793	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17738	1.1
57.03311	1.9
59.01250	6.9
63.45667	1.2
65.00179	2.6
68.99701	1.4
69.33222	6.2
69.33661	5.3
71.01257	8.5
72.99165	3.1
73.02822	1.6
75.00753	29.9
80.09612	1.1
81.03320	2.1
83.01229	1.6
85.02830	7.6
87.00735	2.5
89.02297	2.0
93.03306	1.6
95.01250	3.6
96.99165	1.3
97.02834	2.1
99.00754	2.1
100.42848	1.2
101.02298	3.4
104.27470	1.1
107.01290	8.6
108.59769	1.2
109.02810	2.4
109.87914	1.2
109.99967	3.4
111.00787	7.0
112.89966	1.0
113.02317	5.6
123.00764	14.2
124.01527	2.5
125.02349	38.9
127.00232	1.7
135.04341	1.8
136.05203	13.0
136.98651	3.5
137.02354	2.5
139.00279	10.5
139.03831	1.3
140.00984	5.1
141.01801	1.8
149.02348	1.4
150.06728	4.4
150.99347	1.1
151.00284	13.5
151.03835	1.2
151.07506	4.0
152.00992	3.2
153.01843	7.3
162.06784	6.1
163.03821	1.2
163.07492	3.9
164.98154	4.5
165.05405	2.2
165.98930	4.2
166.02573	1.3
166.99673	4.2
167.03415	7.6
167.10674	1.2
168.00606	8.1
169.01343	51.0
170.01654	2.1
171.78981	1.1
175.00209	1.1
178.99788	12.4
179.03398	2.2
180.07858	11.5
181.08600	6.8
187.03856	1.2
188.83450	1.1
189.01875	1.2
193.01305	2.3
203.03426	1.7
213.01759	1.1
215.03436	1.2
219.02962	1.2
243.02937	2.2
258.01584	2.0
259.02533	1.7
262.69040	1.3
270.01398	1.1
271.02344	1.7
287.01807	4.9
288.02603	3.2
289.03354	2.3
297.06113	1.8
304.02072	1.8
313.02588	1.3
313.05603	10.3
314.05893	1.1
315.01526	8.3
329.08688	3.1
332.01666	17.0
333.02472	7.2
451.08701	1.3
477.05917	1.3
495.07547	22.4
495.14798	100.0
495.20490	5.0
495.31442	27.5
496.08414	2.5
496.15262	11.1
496.31793	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1146
Annotation	tarocin A1
Peak:m/z	Relative Intensity
57.03326	2.2
58.87931	0.4
59.01254	4.8
61.98698	0.7
65.00194	1.1
70.91211	0.6
70.91540	0.9
71.01264	4.1
71.04899	0.8
72.99171	0.5
73.02817	1.1
74.03683	0.5
81.03335	4.3
83.01268	1.9
85.02842	1.8
89.02316	0.8
93.03355	0.5
95.01287	0.7
95.04895	3.3
97.02830	3.5
98.07576	0.5
99.00762	1.0
101.02322	1.5
107.01260	4.6
109.02827	1.3
109.06479	0.8
111.00764	1.4
113.02335	1.3
116.60756	0.5
121.02854	0.6
122.03628	1.3
123.00776	3.3
123.04395	0.5
124.01547	0.7
125.02341	43.2
126.02686	1.8
137.02359	1.7
137.05984	35.4
138.06323	1.9
138.69594	0.5
139.00267	1.4
139.03957	0.7
140.01071	1.2
141.01884	2.4
149.02328	2.5
151.00267	4.4
151.03973	0.8
153.01848	1.2
159.04390	0.8
165.01897	0.9
165.05560	0.7
165.25737	0.6
167.03419	1.5
168.00548	2.5
169.01341	39.8
170.01685	1.7
177.05457	0.9
179.03459	0.7
181.04988	73.3
182.05371	3.3
193.01315	1.0
195.06577	0.7
205.04974	7.1
211.02414	6.1
223.05968	1.2
239.71472	0.5
241.03427	0.8
247.06064	0.8
271.04462	4.6
297.03903	0.6
313.05658	19.3
314.05832	1.3
327.14374	0.6
333.06219	0.7
341.06372	0.8
439.08838	2.7
440.08801	0.5
495.11450	100.0
496.11813	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	495.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	4.1
69.03323	3.1
70.97894	7.1
71.01244	5.7
75.00730	4.4
79.01746	2.6
83.52316	2.6
85.02815	6.3
87.53548	2.5
95.01280	4.1
95.83791	2.7
96.95906	5.7
101.02350	2.9
107.01279	8.1
113.02289	7.1
115.33660	2.7
119.04157	4.1
119.04919	36.7
121.02831	21.2
123.00770	17.6
123.04401	8.3
125.02339	62.9
133.02869	3.5
139.00267	7.3
140.01030	3.9
141.01833	2.7
149.02274	3.8
151.00259	17.6
151.03912	8.8
163.03932	11.1
168.00529	4.4
169.01350	100.0
170.01735	4.1
181.04971	3.2
241.03641	2.7
260.45557	2.8
302.85602	2.7
313.05661	63.4
314.05728	4.1
315.08826	6.4
346.96829	3.1
361.03458	2.8
433.11551	5.4
435.09329	32.0
465.10632	5.6
477.10587	23.7
478.10208	4.3
495.11511	65.1
496.11874	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	495.1299
Annotation	CHEBI:70259
Peak:m/z	Relative Intensity
57.03331	4.4
59.01242	2.9
69.26917	7.9
69.27250	0.6
71.01251	1.4
73.16286	0.6
81.03324	2.1
83.01262	4.3
85.02827	1.2
86.50714	0.6
89.02311	0.8
93.03333	2.4
95.01260	1.2
95.04897	2.9
95.24196	0.6
97.02823	6.0
98.19804	1.3
98.20493	2.1
109.02841	19.4
113.02366	1.0
119.01304	1.6
121.02820	5.3
122.03597	1.0
123.00760	0.9
123.04410	12.4
125.01433	1.5
125.02343	27.5
126.02721	0.8
135.04440	1.9
137.02342	25.2
138.03078	1.1
139.03885	2.6
145.02840	5.5
146.03589	1.9
147.04388	0.7
149.02348	10.5
150.03108	1.0
151.03911	6.4
159.04413	2.9
161.02327	2.5
161.05991	4.1
162.03143	2.8
163.03920	2.7
164.01100	3.2
164.04718	3.6
165.01851	36.6
166.02217	1.0
167.03400	2.2
167.26080	0.6
171.10262	0.6
173.54585	0.6
175.00276	8.2
175.03946	2.2
175.07553	0.9
177.01863	2.6
179.03427	4.5
179.06990	2.1
185.05981	1.6
187.03926	4.7
188.04681	2.8
189.01871	1.6
190.02640	19.2
191.03311	2.6
193.01266	0.8
199.07645	0.9
201.05446	1.4
202.06267	2.1
203.07074	9.8
205.05014	26.6
206.05351	1.8
208.03693	1.3
209.06012	0.9
211.03897	0.7
217.01379	1.0
221.08182	1.9
223.06038	5.5
227.07100	2.8
229.05043	1.5
231.02974	1.5
244.55202	0.6
245.08174	13.0
246.08484	0.8
247.06021	0.8
248.06076	0.7
253.05037	2.2
266.21155	0.7
271.06131	5.9
272.06641	0.9
277.64386	0.7
281.04538	0.7
289.07178	100.0
290.07468	8.2
313.10538	0.8
327.21661	1.4
329.10269	8.2
330.10498	1.1
341.06631	5.0
345.09671	3.5
451.13858	1.0
470.82019	0.8
495.12817	4.9
495.23837	1.0
495.30148	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56427	0.8
59.01247	2.9
69.29686	9.1
94.79668	0.8
98.19817	1.4
125.02325	0.8
141.01563	1.2
149.23686	0.8
153.03096	0.8
195.04449	3.2
211.03937	2.5
223.03944	1.1
239.03447	17.6
239.08569	1.0
240.03932	1.4
254.05861	12.2
255.06215	1.3
267.03003	4.7
282.05350	63.6
283.05624	5.7
297.07675	100.0
298.08035	8.7
376.38794	0.9
495.23950	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	2.8
59.01250	15.6
63.02258	3.6
64.99875	1.0
65.00188	7.9
66.00504	1.5
69.03342	1.5
71.01258	13.2
71.59042	2.1
72.99179	3.7
73.02817	1.5
73.22762	1.1
74.71600	1.1
75.00747	10.4
78.25397	1.2
81.03343	1.4
83.01252	7.8
85.00896	1.4
85.02827	12.5
87.00760	3.9
89.02306	6.6
95.01277	2.7
99.00759	2.0
101.02324	4.1
107.01264	19.7
108.01580	3.6
109.02834	15.9
109.06468	3.0
110.03158	2.7
111.00791	2.0
113.02351	9.6
118.90133	1.2
119.04906	5.5
121.02820	6.0
122.03715	1.4
123.00757	8.4
123.04388	1.3
124.01601	2.3
125.02339	42.4
126.02686	4.4
127.02821	1.2
129.01782	1.2
135.00813	1.2
135.04430	4.2
137.02344	23.1
137.05981	18.3
138.02640	7.8
139.00209	2.4
139.02888	4.5
140.01048	1.6
149.02382	2.0
149.04482	7.2
151.00273	42.9
151.01503	2.1
151.03946	2.0
151.10880	1.1
152.00616	15.4
153.00716	11.2
153.01784	1.7
155.13843	1.3
163.00291	4.9
163.03925	2.9
164.00732	2.9
165.01790	4.2
165.05554	1.7
166.99762	2.5
167.03455	2.0
168.00546	3.3
169.01341	48.6
170.01680	4.2
175.02412	1.7
178.99782	21.2
180.00131	8.9
181.00232	10.2
181.04974	44.5
181.06548	2.5
182.05325	2.7
190.99715	1.4
192.00504	1.8
193.01305	2.1
194.01251	1.6
195.06592	1.3
211.02423	1.2
218.55388	1.3
227.03413	1.4
228.03864	2.1
229.04108	1.8
255.02567	1.8
256.03342	1.8
269.13052	1.7
270.13300	2.4
271.02448	2.7
271.13437	2.6
272.02924	2.8
273.03098	4.7
289.03482	1.5
299.01999	2.8
301.02527	3.6
313.05646	22.4
313.11411	1.6
314.05997	1.3
314.12106	1.5
315.08670	1.7
315.12296	2.9
317.03009	51.5
318.03348	46.2
319.03531	100.0
320.03888	6.2
343.10257	4.6
352.26700	1.3
447.42548	1.2
479.53519	1.4
495.11414	68.2
495.19977	26.5
495.31870	3.3
496.11807	8.1
496.19321	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	495.078
Annotation	Hibiscetin 3-glucoside
Peak:m/z	Relative Intensity
59.01244	4.0
63.02246	1.2
65.00200	3.7
69.72585	6.5
71.01259	2.5
72.99197	1.8
73.10136	0.9
73.38535	0.9
75.00745	12.5
95.01250	4.6
96.99178	1.4
100.35384	0.9
101.02333	2.1
107.01290	4.9
109.02824	1.7
109.48024	0.9
109.99982	10.4
111.00799	6.5
121.02882	1.5
123.00763	5.2
124.01524	3.6
125.02346	7.1
127.11818	1.1
127.53543	1.0
131.04845	1.1
135.00748	1.1
136.98679	2.4
137.02324	2.9
137.99467	4.2
139.00272	12.9
140.01076	2.4
141.01836	0.9
141.98964	1.8
143.04921	2.0
145.02823	1.0
148.01495	1.0
149.02328	2.3
151.00266	14.0
152.01089	7.1
153.01811	3.5
159.04434	2.7
161.02364	1.5
163.00307	4.4
163.03931	1.8
164.01050	2.9
164.98227	1.6
165.01794	2.6
165.98964	12.9
166.99738	5.7
167.03416	2.2
169.01379	5.1
171.04482	2.1
173.02333	1.0
174.02983	1.1
175.03870	1.6
177.00470	1.0
177.01830	4.5
178.99773	15.2
180.00333	1.9
181.05057	1.4
185.02339	1.4
187.03886	6.3
189.01846	4.9
190.02698	1.3
191.03471	2.7
192.00510	1.8
193.01344	1.7
193.98409	1.6
194.99294	1.2
199.04001	2.3
203.03426	8.3
204.03981	1.7
205.01367	3.4
206.02205	1.2
206.99358	1.8
208.00021	1.4
211.55803	1.2
213.01846	2.1
214.02608	2.0
215.03487	6.9
217.01379	3.0
217.13902	1.1
218.02106	1.7
219.02953	4.8
221.00826	1.4
227.03435	1.5
229.01393	2.3
230.02089	3.4
231.02927	8.4
232.03435	2.8
241.01340	2.3
242.02084	2.8
243.02986	9.1
245.00742	1.5
246.01611	1.8
247.02370	3.4
258.01538	5.4
259.02496	8.7
269.00867	1.4
271.02417	5.3
275.02029	2.0
276.02200	1.4
286.01181	6.5
287.01968	39.8
288.02658	9.6
289.03488	3.1
303.01563	6.9
303.04623	1.1
304.02191	6.1
305.02859	1.3
315.01459	54.7
316.01868	4.5
317.02664	1.6
331.01108	1.5
332.01706	81.4
333.02432	24.0
334.02698	2.0
343.06638	2.0
347.12442	2.8
451.08768	3.8
477.06689	3.1
495.07767	100.0
495.31616	12.7
496.08344	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	494.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83157	0.6
55.55571	0.5
55.72301	0.5
59.01246	3.6
61.98702	100.0
65.00184	0.6
69.82817	0.5
71.01260	1.3
71.57041	0.5
71.57522	0.9
75.00749	2.0
82.40599	0.5
85.02863	0.6
89.02367	0.5
96.50803	0.6
96.95921	0.5
101.00703	0.5
101.02307	0.8
113.02330	1.3
122.64668	0.7
125.02348	1.3
139.00197	0.6
139.34348	0.7
148.05196	0.6
151.00247	0.9
161.04491	0.9
169.01338	1.3
169.03488	0.6
177.12337	0.6
179.07059	0.6
227.03450	5.3
255.02968	7.8
256.03772	1.0
257.04498	1.3
262.53094	0.6
284.03256	10.6
285.04010	9.9
431.09805	18.0
432.10434	1.9
457.17471	0.7
458.17514	1.2
480.77179	0.7
494.13879	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.078
Annotation	Hibiscetin 3-glucoside
Peak:m/z	Relative Intensity
59.01244	9.1
65.00188	14.8
70.06163	13.8
75.00748	27.3
83.01231	9.2
87.46342	3.7
95.01253	10.3
106.00423	6.0
107.01279	15.0
109.02847	14.4
109.99984	7.0
111.00751	15.0
121.02861	5.5
123.00767	14.0
124.01574	5.6
125.02333	14.3
135.00745	4.5
136.98705	4.5
137.02351	7.5
139.00282	18.0
143.04878	4.0
148.01476	6.1
149.02321	5.5
149.99501	10.0
151.00285	34.4
152.00987	8.4
153.01837	10.3
159.04437	11.5
161.02351	7.5
163.00253	8.5
164.98227	6.9
165.01781	5.2
165.98962	5.5
166.99847	5.4
168.00446	5.7
169.01376	6.1
171.04358	7.3
173.02347	5.7
174.03238	5.7
175.03894	17.1
176.00978	4.1
177.01871	4.7
177.98999	10.3
178.99800	38.4
181.08714	5.8
182.02321	4.1
187.03966	21.3
189.01871	13.4
193.01372	8.6
199.03934	9.3
201.01678	4.7
203.03429	17.1
205.01346	4.9
206.99257	6.8
207.02946	5.6
213.01894	9.5
215.03426	16.0
217.01222	4.0
227.03384	6.0
230.02139	4.8
231.02956	13.8
232.03711	17.4
233.00598	4.5
233.04448	10.5
243.03076	25.2
244.00082	4.2
245.01015	7.0
245.04524	4.5
247.02534	7.8
258.01578	9.1
259.02396	19.9
261.04044	9.2
271.02512	36.7
286.01157	7.3
287.01996	63.8
288.02527	14.6
289.03513	9.8
297.00473	5.2
299.02020	27.0
303.01523	10.9
314.00543	4.8
315.01465	100.0
316.01804	10.8
332.01547	21.7
333.02417	13.3
385.96042	4.0
395.09802	4.8
462.08008	5.3
477.06665	9.3
495.07800	87.5
495.31952	21.1
496.08200	8.7
507.43414	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	493.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96164	0.8
55.01750	1.5
57.03316	2.4
59.01256	37.6
63.97530	0.7
65.00170	1.3
67.01734	1.0
69.03316	1.0
71.01262	11.6
71.46953	1.6
71.47299	0.9
72.99197	4.5
73.02825	3.2
75.00745	11.7
83.01252	1.4
85.02828	17.7
87.00757	6.4
89.02319	2.5
93.03328	1.1
95.01252	3.5
99.00774	6.6
101.02302	1.5
103.00243	1.4
107.01261	1.6
109.02840	2.1
111.00761	2.5
113.02327	11.6
113.04012	0.8
115.00244	2.8
117.01800	1.0
121.02876	1.0
123.00797	1.5
124.01589	1.3
125.02328	3.8
129.01819	1.5
130.79190	0.9
133.02859	0.9
135.04388	1.3
137.02357	1.7
139.00281	2.9
139.11200	11.6
145.02939	0.8
147.02907	0.8
149.99522	1.1
151.00250	5.5
157.01399	1.1
159.04443	0.7
160.13231	0.7
161.02362	2.3
163.00218	1.4
163.11258	0.9
165.05457	1.2
165.99049	0.9
166.99792	1.8
167.03398	1.6
168.00519	2.2
169.01302	2.7
175.02406	0.9
175.03862	1.1
177.01791	0.9
178.99762	4.4
181.12250	5.9
183.10210	12.7
187.03932	1.4
191.01906	2.1
193.01332	0.9
194.99248	1.7
199.03999	0.9
203.03435	1.6
215.03621	1.0
218.02057	0.9
225.11317	4.9
227.03529	0.8
231.02866	1.4
243.02953	2.9
243.12395	5.5
249.06131	7.7
259.02423	3.2
267.07108	2.5
269.51837	0.8
271.02475	6.8
285.04053	1.3
287.01950	6.5
288.02884	0.9
299.01950	1.7
301.03546	2.2
303.01279	1.3
315.01477	15.7
316.02151	4.6
317.03052	20.1
317.16025	7.1
318.03299	1.8
318.16321	1.0
330.03809	15.9
331.00797	1.7
331.04013	8.5
361.22168	0.9
431.19089	2.2
433.17017	3.6
433.24017	1.0
475.18192	5.1
493.09940	16.6
493.19235	100.0
494.09805	1.6
494.19678	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	493.2293
Annotation	Ustiloxin D
Peak:m/z	Relative Intensity
50.85300	0.9
53.74693	0.8
55.01750	2.4
57.03323	6.7
59.01254	34.1
61.98703	1.5
69.03336	0.9
69.66802	5.7
71.01260	29.6
72.99178	5.4
73.02839	6.1
75.00749	32.7
79.58782	1.1
81.03354	0.9
83.01260	3.5
85.02826	36.5
87.00753	9.0
89.02319	6.0
93.03329	0.9
95.01271	5.0
97.02808	1.4
99.00759	11.3
101.02330	7.4
103.00251	1.1
109.02874	1.5
111.00745	1.9
112.01592	1.0
113.02333	32.6
115.00279	2.4
117.01819	2.3
119.03394	1.8
121.02896	1.4
125.02346	4.1
129.01866	1.8
131.03383	1.0
134.03656	1.8
135.04405	1.9
136.01591	1.0
137.02318	3.8
145.02904	1.2
149.04475	1.8
151.00348	1.6
151.03941	2.1
157.01357	1.3
161.04489	2.1
169.01331	1.9
175.02417	3.5
177.05502	2.6
191.01944	1.1
192.00725	0.9
211.13353	6.2
249.06142	1.8
257.08060	1.1
289.07129	0.9
317.02979	4.6
317.19595	1.0
331.24792	1.4
361.29739	2.2
424.96188	1.1
445.16205	1.6
449.23938	1.9
461.20474	4.4
493.22906	100.0
494.23184	11.1
494.29532	1.1
515.48267	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34542	0.9
59.01252	15.5
59.63976	0.9
66.35173	0.9
67.84930	0.9
71.01259	5.7
71.54656	1.1
71.54990	1.5
73.02802	2.1
78.95779	23.1
82.80699	1.1
83.04889	1.2
85.02832	1.4
89.02325	1.8
96.96785	1.4
97.06448	1.5
101.02328	4.4
113.02312	3.0
125.09638	1.0
137.02325	1.9
138.03122	2.7
145.94499	1.0
152.99458	3.5
153.05525	1.4
161.04424	3.5
165.01834	2.2
171.00571	3.6
171.10162	9.5
173.02301	1.3
179.03444	7.0
180.04143	1.3
181.06558	0.9
185.06006	1.1
185.11661	1.1
194.05757	4.9
195.06447	1.1
209.11743	14.6
211.03978	1.8
211.86093	0.9
225.05545	2.5
227.03490	2.3
239.03384	1.6
240.04193	4.3
241.05006	23.8
242.05324	1.4
247.13361	3.8
253.05017	4.7
254.02144	1.4
255.02960	2.5
256.03629	1.6
267.02979	2.8
268.03757	70.5
269.04517	61.5
270.04974	3.6
279.03036	1.3
281.04520	3.9
282.05234	9.6
283.06110	44.1
284.06619	4.9
295.02594	2.0
296.03308	19.3
297.04019	43.5
298.04437	3.4
298.08475	1.1
303.06635	1.9
309.03943	3.0
310.04788	4.6
311.05539	3.4
312.06396	47.0
313.06708	3.4
316.05887	6.3
317.03021	1.2
320.07013	1.1
325.07224	9.3
326.07785	7.3
327.08740	100.0
328.09128	7.5
330.07587	4.6
331.06107	1.7
339.08688	3.2
340.68536	1.0
347.05573	1.8
354.28806	1.0
359.05615	3.9
371.05566	2.5
375.05063	4.3
376.05716	1.5
387.04877	2.5
391.66684	1.0
399.05142	2.3
401.23337	2.3
403.04626	5.1
404.05310	8.7
405.06116	4.6
414.07559	1.3
415.04257	1.7
418.06879	2.9
419.07596	6.8
420.08313	5.6
430.06958	2.3
433.09131	3.7
433.27951	4.1
434.10031	12.7
435.10773	10.9
445.09213	3.4
449.12421	8.0
450.13281	4.8
460.11572	3.2
463.10104	8.6
464.10733	1.2
465.15533	3.1
475.14490	1.2
475.27142	2.9
478.12625	7.3
492.27261	5.1
493.15042	91.2
493.26532	12.1
494.15305	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	493.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01133	2.7
59.01460	1.2
70.66274	0.8
70.66612	1.3
71.01138	0.8
78.95685	0.9
89.02197	0.7
112.01922	0.6
112.66222	0.6
113.02161	0.7
114.03703	0.6
123.00645	0.6
137.73888	0.5
146.23172	0.6
150.48676	0.7
161.02261	0.7
168.86832	0.6
177.01672	0.7
183.04224	0.9
198.03061	1.4
211.03769	1.2
213.05409	1.1
225.05283	1.1
226.02458	1.9
227.03348	1.1
239.03508	6.4
240.03957	2.1
241.04828	1.6
252.04198	1.2
253.04691	0.8
254.02214	1.2
255.02756	2.3
267.02975	5.4
268.03760	10.0
269.02115	0.8
269.04495	9.1
270.04718	0.7
280.03571	0.7
281.04651	3.1
282.05008	1.4
283.02484	0.9
283.05841	1.1
284.06772	1.6
285.03931	0.9
296.03104	2.1
297.03812	2.1
303.06433	1.8
309.03925	2.0
312.06201	1.8
327.08740	8.3
329.04257	0.6
331.06195	1.3
332.06476	0.7
343.06003	1.9
346.04596	2.6
347.05353	2.0
358.04977	0.8
359.05566	3.3
360.06210	0.7
361.07330	1.5
371.05466	1.8
374.04199	1.5
375.04990	1.7
377.10559	0.8
387.05081	2.8
389.06467	2.0
390.07239	1.4
398.04401	1.1
399.05075	4.2
400.05490	0.7
402.03021	0.7
403.04364	1.7
404.04581	0.6
404.08972	3.5
405.09470	2.1
414.07355	1.2
415.04529	4.9
417.05640	1.2
418.06888	5.0
419.07492	0.7
420.08554	0.9
430.06931	4.1
431.07303	0.8
432.08447	6.8
433.09317	7.6
434.09976	1.0
435.10736	7.7
436.11176	0.9
445.09198	3.6
448.11746	0.7
460.11398	1.0
463.10318	100.0
464.10526	11.0
475.13715	1.2
478.12701	34.0
479.12915	3.7
493.15051	77.4
494.15417	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	493.1357
Annotation	Peruvianoside I
Peak:m/z	Relative Intensity
53.14173	0.5
55.32082	0.5
57.03313	0.9
57.40006	0.5
59.01252	9.6
63.02282	3.0
63.02561	0.5
65.00198	8.3
69.52971	4.2
71.01255	3.8
72.99178	1.2
73.02823	0.9
75.00754	2.3
78.67324	0.6
83.01257	5.5
85.02797	2.7
87.00751	1.5
89.02312	1.5
93.03336	3.4
95.01271	2.0
98.19790	0.9
99.00724	0.7
100.75349	0.5
101.02325	1.9
103.00249	0.9
107.01278	15.1
108.02106	2.5
109.02844	4.0
111.00758	0.8
113.02348	1.6
121.02847	3.1
123.00772	2.3
123.04372	0.8
124.01566	5.3
125.02347	8.8
134.03639	1.2
135.00870	0.5
135.04407	0.8
135.58765	0.5
136.01566	2.1
137.02350	8.3
139.00317	0.5
139.03923	1.6
149.01233	0.4
149.02347	3.1
149.04474	0.8
149.99498	1.5
150.03127	0.7
151.00276	36.2
152.00835	0.9
153.01833	1.1
161.02354	1.0
161.04539	0.6
163.00298	1.3
163.03935	0.7
164.01099	4.6
165.01848	77.2
166.02164	3.3
167.03409	1.0
169.01312	2.5
175.00262	0.6
176.01073	1.2
177.01891	4.3
177.05516	2.2
178.02637	1.7
178.99770	0.9
179.03404	1.6
187.07639	1.5
189.01920	0.6
191.03429	1.8
191.05339	0.6
193.01350	1.4
193.05057	1.0
193.47835	0.5
196.00069	3.5
199.03957	0.6
203.03416	0.6
211.03961	0.7
215.03468	1.4
216.04112	0.8
219.02882	0.6
227.03458	0.6
229.04994	0.9
231.10233	1.1
233.04533	1.1
241.05113	1.0
243.03099	1.0
245.04370	0.6
255.03001	1.0
256.03702	0.8
257.04495	1.5
257.08212	0.8
267.06976	0.7
272.06830	0.7
273.04074	1.7
283.02444	0.9
285.04004	2.5
289.07147	1.7
298.04834	1.2
300.02734	1.3
301.03558	11.5
313.06284	0.8
315.05075	2.1
316.05878	10.0
317.03067	4.7
317.06186	0.9
331.08224	100.0
332.08578	8.6
355.08145	0.8
373.09186	2.4
389.16132	2.5
433.24350	0.6
463.16086	0.7
493.13541	65.2
493.28513	2.5
494.13855	8.9
494.20544	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	10.1
70.88525	5.1
78.95750	3.2
89.02338	2.3
93.81544	2.2
95.24360	2.0
109.64860	1.9
123.00777	4.5
124.60284	2.3
132.65648	2.0
161.02429	3.1
171.00845	4.8
179.03564	3.3
209.11885	2.5
211.03918	7.1
212.04881	2.9
213.01982	3.4
223.04065	3.4
225.05501	3.3
227.03340	2.4
235.04187	3.0
236.04762	3.0
239.03433	4.3
240.04250	7.0
241.05067	2.9
251.03638	2.7
253.05112	3.3
267.02963	5.7
268.03745	21.5
269.04437	15.7
275.07239	3.9
281.04535	5.2
283.06152	4.5
284.06970	4.3
291.58206	2.3
296.03366	5.1
297.04153	6.7
303.06689	7.8
309.04059	7.9
312.06378	4.0
315.06476	4.6
319.05963	12.0
327.08731	8.3
329.04413	3.6
331.06134	7.1
333.07916	2.5
334.08194	4.7
343.06241	5.4
347.05493	25.4
359.05746	14.2
361.07324	2.4
362.08084	5.9
371.05615	5.8
372.06265	4.2
374.08191	3.4
375.05069	27.4
376.05313	2.3
377.10568	2.6
387.04999	10.2
389.06320	3.1
390.07373	2.5
398.04379	5.8
399.05139	16.4
400.05814	5.4
402.07617	6.6
403.04547	49.5
404.04959	4.2
405.09827	8.3
413.06790	5.4
414.07608	14.1
415.03769	10.7
416.04608	2.8
417.10214	3.6
418.06897	39.9
419.07648	6.2
420.08539	5.7
428.09052	2.6
429.09619	13.1
430.06210	19.0
431.07141	3.1
432.08240	12.7
433.09280	99.1
434.09521	15.5
435.10788	12.3
443.11197	4.2
444.12155	8.4
445.09155	62.4
446.09781	5.4
448.11890	30.2
449.12311	3.5
460.11655	45.7
461.12265	3.2
463.10141	100.0
463.14572	88.1
464.10455	14.0
464.14954	9.7
475.13965	98.9
475.24588	2.8
476.14325	14.8
478.12750	43.4
479.13083	4.6
493.15158	90.6
494.15387	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	493.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	8.1
61.98700	1.1
64.85090	0.5
65.00191	2.1
70.01547	2.6
73.02806	0.5
75.00717	0.6
80.22062	0.5
83.01261	1.7
83.96391	0.6
85.02805	1.5
89.02308	0.9
95.01243	1.0
101.02325	2.0
107.01276	4.3
113.02326	1.3
121.02840	0.8
121.67193	0.6
123.00769	0.5
125.02338	1.6
132.02083	1.1
133.02837	13.6
143.04930	0.7
149.02328	2.4
151.00262	9.2
161.04480	1.3
169.01294	0.6
171.10164	1.0
175.03915	4.7
183.04416	1.1
187.03992	0.7
198.03174	1.0
199.03922	3.6
199.83488	0.5
201.01939	1.0
209.08037	0.8
209.11772	1.5
211.03952	1.2
213.05397	0.7
215.03441	0.7
217.05022	2.1
227.03430	3.1
241.04980	1.5
242.02229	0.5
243.03023	1.0
255.00206	0.9
255.02963	30.4
256.03729	35.2
257.04050	3.0
269.04517	0.8
283.02472	50.4
284.03247	89.8
285.04013	100.0
286.04352	8.0
313.03748	0.8
314.04199	0.8
317.02975	1.7
433.28110	1.6
435.11008	1.3
463.10275	1.8
475.10034	3.5
476.10706	0.6
493.11328	8.8
493.28082	1.1
494.11734	1.5
507.80481	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1141
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
54.43935	0.3
56.46673	0.3
58.17992	0.3
59.01242	0.5
60.68441	0.3
63.02263	0.7
63.74655	0.3
65.00190	2.5
70.63394	0.3
75.43449	0.3
83.01249	1.0
105.03322	0.5
107.01275	3.5
108.36676	0.3
119.04922	0.3
121.02879	0.5
125.02316	0.9
132.02039	0.8
133.02844	14.1
134.03165	0.6
149.02356	2.9
149.31790	0.3
151.00269	8.9
159.04402	0.5
161.02278	0.4
169.01378	0.4
171.04335	0.6
175.03928	4.0
177.01753	0.3
183.04491	0.7
185.06006	0.3
189.05492	0.5
197.05870	0.3
198.03067	0.5
199.03949	3.3
200.04443	0.3
201.01845	1.0
211.03944	0.7
212.04581	0.4
213.05383	0.5
215.03424	0.6
217.05042	2.2
227.03479	2.5
239.03462	0.5
240.04279	0.3
241.05051	1.0
243.02950	0.9
255.02957	23.3
256.03732	26.5
257.04160	2.8
267.02948	0.9
269.04553	0.9
272.03110	0.3
281.04456	0.4
283.02475	38.5
284.03238	70.3
285.04010	100.0
286.04364	8.0
298.04742	0.6
300.02713	0.8
313.03629	0.5
314.04257	0.5
315.05051	0.7
326.04202	1.2
327.05035	0.5
417.38254	0.3
435.10724	0.8
463.10385	0.6
475.10245	1.8
493.11298	9.0
494.11768	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.12
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73648	1.3
69.98936	4.0
69.99347	2.5
72.19137	1.1
73.85574	1.0
98.20478	1.9
106.62801	1.1
124.01559	2.9
125.02341	37.2
139.00262	1.4
146.18706	1.2
156.56746	1.2
168.00545	5.9
169.01344	72.7
170.01694	2.6
191.46281	1.1
191.50386	1.3
201.55339	1.4
240.52124	1.4
331.06708	100.0
332.07147	6.8
443.98392	1.3
465.37640	1.3
493.11972	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	493.0627
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09536	0.5
54.07563	0.5
59.01244	0.9
59.34399	0.5
63.02273	2.3
65.00198	3.4
65.44242	0.4
69.19953	0.5
70.76751	0.8
70.77090	0.6
71.01254	1.5
76.14337	0.5
83.01272	2.1
83.32713	0.5
85.02843	0.8
107.01279	8.3
109.02833	8.0
110.03100	0.5
113.02314	0.6
125.02311	2.9
135.00746	0.6
137.02344	16.9
138.02641	0.8
143.26013	0.5
151.00282	29.1
152.00639	0.6
163.00337	2.5
164.01068	0.8
165.01837	2.3
169.01349	2.9
178.99794	22.0
180.00060	0.7
181.40321	0.5
185.02576	0.6
190.99846	0.9
192.00517	1.0
193.01347	1.2
193.03427	1.3
199.03996	0.8
201.01663	0.5
215.03494	0.8
227.03458	1.5
243.02962	1.7
255.02985	1.0
261.03940	1.3
271.02460	4.2
289.03326	0.5
299.02039	3.9
316.02243	1.5
317.03012	100.0
318.03397	7.8
323.25369	0.6
376.75223	0.5
493.06216	14.9
494.06525	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0627
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43402	1.9
55.66782	1.8
65.00203	2.3
67.07374	2.0
69.24110	3.0
69.24438	24.9
77.17786	1.8
85.47186	2.5
107.01277	6.3
125.02367	5.5
135.04404	2.6
148.57298	1.9
151.00252	20.9
169.01324	4.2
173.31944	2.4
178.99742	10.7
179.03436	3.2
203.03432	6.9
231.02960	4.0
259.02390	11.4
287.01984	100.0
288.02283	6.4
289.07236	4.8
290.53549	2.5
363.41510	2.1
421.07770	4.8
449.07172	34.7
450.07034	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	493.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	6.7
63.02272	1.2
65.00190	3.0
69.03318	1.0
71.01264	7.2
71.59967	1.5
72.99170	2.2
73.02824	1.1
75.00745	2.1
83.01252	2.5
85.02822	5.0
87.00755	1.8
89.02356	1.0
95.01239	1.4
96.83589	0.9
97.02808	1.1
101.02293	1.7
107.01282	10.6
107.04929	2.1
109.02834	7.7
111.00801	1.7
113.02324	4.0
118.25702	1.0
121.02840	2.0
123.00773	5.0
123.04403	1.7
123.94862	1.0
124.01582	1.4
125.02343	38.4
126.02611	1.0
134.03627	3.2
135.04425	100.0
135.55348	1.1
136.04749	2.9
137.02351	10.2
139.00279	2.2
139.03911	3.4
140.01007	1.2
141.01836	1.6
148.16335	0.9
149.00815	1.5
149.02322	1.8
151.00276	18.3
151.03926	1.8
152.00594	1.1
163.00264	1.4
164.01006	1.0
165.01805	1.9
165.05504	1.1
166.99791	3.2
167.03404	1.2
168.00555	2.4
169.01353	52.0
178.99875	9.2
179.03423	85.7
180.03773	3.1
184.54390	1.0
193.01338	1.6
211.02402	1.0
227.21359	1.1
241.03453	1.5
245.08026	2.1
259.06094	3.6
267.07214	1.5
271.02472	2.5
271.06125	1.4
289.07114	6.0
289.10159	1.4
299.01855	1.6
313.05667	53.5
314.06015	2.7
317.03018	40.4
318.03391	3.2
331.07642	2.0
341.08951	4.1
449.10870	5.3
493.09891	50.1
493.19937	1.7
494.10049	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	493.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39207	0.9
59.01245	2.5
63.02242	1.0
65.00233	1.2
70.22281	1.0
70.86273	2.7
71.01256	1.2
72.99162	1.0
107.01272	2.9
123.00822	1.1
125.02351	3.8
133.02867	2.0
135.04427	2.3
135.78262	0.9
137.02327	1.8
143.04927	3.2
145.02843	2.0
146.03638	1.5
147.04448	1.7
149.02377	1.4
151.00282	6.3
157.02763	1.4
159.04419	4.7
161.02371	3.0
169.01321	4.6
171.04454	3.5
173.02345	1.7
174.03168	3.2
175.00220	1.2
175.03831	1.5
177.01970	1.2
178.99750	3.9
179.03311	1.3
187.03935	8.0
189.01770	2.4
191.03461	1.2
193.03456	1.3
197.02332	1.0
199.03955	1.6
201.01817	2.2
202.02689	4.5
203.03445	9.2
214.02763	3.0
215.03452	14.9
216.00545	1.8
217.01366	10.4
230.02136	4.2
231.02986	8.9
241.01372	2.2
243.02899	5.8
258.01633	17.6
259.02426	26.9
260.02835	2.0
269.00949	5.4
271.02505	2.8
280.54865	1.2
283.02417	1.2
286.01065	2.0
287.01962	100.0
288.02200	7.2
299.01941	2.2
301.03540	1.6
313.05606	1.6
317.02994	4.6
330.00119	2.6
331.00922	4.7
493.06058	22.3
494.06412	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	493.0627
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13198	0.5
57.03318	0.9
59.00986	0.7
59.01253	7.8
63.02261	2.4
65.00191	4.1
67.01792	0.6
68.99692	1.0
69.54455	1.2
69.54864	3.7
71.01264	5.6
72.99184	4.6
73.02814	1.3
75.00745	1.7
77.16254	0.5
81.03319	0.6
83.01269	4.8
84.30817	0.4
85.02821	5.6
87.00748	0.8
89.02331	1.2
93.03345	4.9
95.01267	3.0
98.19743	0.5
99.00759	2.6
101.02306	1.4
103.00256	2.2
107.01286	7.0
107.04935	0.7
109.02824	4.2
111.00757	4.3
113.02337	7.2
117.03363	1.7
119.04900	0.6
121.02820	1.9
123.00780	4.1
123.04435	1.0
124.01528	1.0
125.02349	5.0
129.01826	1.1
131.03401	1.2
131.04932	0.7
133.02835	2.8
135.00735	1.0
135.04393	0.6
137.02344	10.8
137.99536	0.8
139.00266	6.3
141.01813	1.5
143.04907	1.9
145.02859	0.7
147.04404	1.1
149.02347	0.9
151.00281	23.3
152.00966	2.3
153.01859	2.6
154.99796	1.8
155.04962	0.9
158.03685	0.8
159.04407	1.8
161.02345	1.1
161.06018	0.9
163.00264	3.0
164.01019	2.0
164.98259	0.8
165.01845	2.3
166.99767	3.0
168.00543	0.7
169.01366	5.4
170.65033	0.6
171.04488	2.9
173.02428	0.6
173.06102	0.6
174.03169	1.3
175.02405	1.3
175.03857	0.9
178.99789	18.9
179.03419	0.8
180.00154	1.1
183.04424	1.5
187.03922	2.0
189.05591	0.8
190.99768	1.0
192.00580	1.2
193.01355	5.1
193.03461	8.4
194.99295	1.3
198.03162	0.6
199.03911	4.3
199.98238	0.6
201.01909	1.3
201.05568	1.1
203.03398	2.3
205.01350	2.8
206.99263	1.4
208.00163	1.4
209.00746	1.9
211.04013	0.9
215.03482	2.5
217.01541	0.7
217.04984	4.1
219.02863	0.7
227.03471	5.5
229.05009	1.6
230.02081	0.8
231.02969	2.7
243.02936	5.6
245.04495	3.0
253.01457	1.4
255.02971	3.3
261.04199	1.1
271.02475	21.3
272.03027	1.8
273.04086	6.9
281.00858	1.6
287.01883	0.7
289.03500	3.3
298.01254	0.6
299.01987	35.3
300.02451	3.1
303.32681	0.5
309.06030	0.6
316.02173	1.3
317.03012	100.0
318.03357	8.1
381.04819	2.5
385.04114	0.6
493.06256	10.7
493.18512	1.2
494.06085	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.5
59.01248	0.8
63.02262	0.8
65.00186	1.2
69.35018	2.4
69.35442	1.6
71.01265	1.4
72.66776	0.5
72.99207	1.0
73.02848	0.4
83.01247	1.5
85.02830	1.2
89.02278	0.4
92.91442	0.4
95.01250	2.3
98.19862	0.9
99.00741	0.5
103.00229	0.6
107.01276	2.4
108.02075	0.5
109.02834	5.5
109.99986	0.6
111.00777	3.4
111.22253	0.4
113.02317	2.2
115.53921	0.5
116.73863	0.4
121.02844	1.3
123.00766	1.8
123.04340	0.6
124.01531	0.9
125.02325	2.5
131.62938	0.4
133.02843	0.7
136.98697	0.9
137.02357	3.4
138.02644	0.4
139.00269	5.8
139.03900	0.8
141.14398	0.4
144.67021	0.4
147.00781	0.4
149.02293	1.5
151.00272	9.1
151.03961	0.7
152.00999	1.3
153.01866	0.7
155.04909	0.4
159.04443	0.6
161.02347	0.4
163.00241	2.7
164.01059	1.4
165.01831	1.1
165.98935	1.1
166.99774	4.6
169.01308	0.8
171.04431	0.9
173.06035	0.5
174.03125	0.5
175.03891	0.8
178.99756	5.2
183.04376	0.7
187.03951	0.7
189.01906	0.7
189.05431	0.5
190.99835	0.9
192.00458	0.4
193.01503	1.0
193.03494	1.8
194.99272	1.8
199.03981	2.4
201.01930	0.6
203.03421	0.9
206.99272	1.1
208.00084	1.2
215.03473	1.1
217.04913	1.0
227.03362	2.2
231.09903	0.4
243.02998	2.3
245.04436	1.2
255.02971	1.2
271.02475	5.2
272.02939	0.6
273.03952	2.6
287.02304	0.6
289.03461	0.9
299.01962	6.7
301.03558	0.5
316.02267	1.0
317.03000	100.0
318.03299	8.4
493.06296	6.6
494.06531	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2865
Annotation	Bu 2867TF
Peak:m/z	Relative Intensity
52.00945	0.6
55.01754	0.9
57.03307	1.6
59.01253	12.3
62.86135	0.6
63.42897	0.6
66.15771	0.6
69.24102	7.0
70.48961	0.5
71.01262	7.5
73.02815	2.9
78.95779	0.8
81.03292	0.6
83.01248	1.1
83.04890	1.0
85.02834	4.0
87.00740	0.6
89.02310	2.5
95.01260	0.8
97.06435	0.9
99.00766	0.7
99.08031	1.5
101.02328	4.0
113.02334	3.1
119.03391	0.7
124.07563	0.6
125.02301	1.1
125.09598	1.2
127.11175	3.1
139.11198	1.8
147.04413	1.2
148.05235	1.4
155.14272	0.7
171.10193	8.9
178.05022	0.7
183.13805	1.7
185.11720	0.8
193.12180	1.1
195.13802	0.6
209.11755	1.8
211.13335	13.7
229.14412	30.8
230.14769	2.0
268.03751	2.3
283.06033	5.6
287.13934	3.3
287.22311	1.4
293.21289	5.2
311.22238	4.6
313.23776	1.6
329.15033	0.7
329.23309	18.8
330.23642	1.6
391.19678	3.6
413.81793	0.6
431.26401	0.7
449.27359	1.2
473.27820	0.9
491.28607	100.0
492.29053	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	491.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
70.58506	0.6
71.88038	0.6
94.36139	0.7
98.19735	1.5
206.09724	0.6
249.75713	0.6
255.23305	3.1
275.66449	0.7
368.43704	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13823	0.2
55.01758	0.4
57.03330	0.2
59.01252	4.1
61.23737	0.2
71.00887	0.3
71.01253	3.5
71.91101	0.2
72.99169	0.4
73.02820	1.0
77.21308	0.2
78.95776	0.6
80.23550	0.2
83.01265	0.5
85.02811	0.9
87.00739	0.4
89.02322	2.7
95.01268	0.4
98.19810	0.3
101.02328	3.7
103.03876	0.2
104.25368	0.2
113.02332	1.7
115.03929	0.2
119.03374	1.0
125.02323	0.3
133.04942	0.4
136.05873	0.2
143.03386	0.3
149.04451	0.2
152.99483	0.7
157.04907	0.2
161.04437	1.1
179.05518	0.5
235.08240	1.3
253.09267	11.7
254.09550	0.6
255.23268	100.0
256.23615	9.1
256.26334	0.4
327.53879	0.2
328.57944	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.273
Annotation	Epoxycytochalasin H
Peak:m/z	Relative Intensity
50.78129	0.6
51.06671	0.6
57.97886	0.8
59.01255	11.4
71.01260	3.7
71.14213	1.0
71.14544	1.1
72.00945	0.7
73.02802	0.9
78.95779	100.0
80.35674	0.8
85.02789	0.7
89.02314	2.9
96.96845	7.1
101.02329	2.5
113.02359	1.1
113.09622	1.1
119.03404	1.7
140.01039	1.1
148.05276	1.1
149.04382	1.0
152.99500	17.5
161.04465	1.0
161.55421	0.7
171.00558	17.5
179.05536	1.4
195.13802	7.1
209.11786	1.9
214.04811	2.0
219.56248	0.8
277.21741	6.9
278.21970	1.0
295.22794	52.4
296.23184	4.4
418.23849	1.2
433.28363	1.1
492.27335	68.7
493.27509	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	492.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.8
59.01242	2.4
65.27409	0.5
71.57767	0.9
76.06745	0.6
78.95779	36.1
81.67851	0.6
82.09468	0.5
83.04942	0.6
96.96867	0.6
113.09621	3.1
122.00018	1.5
134.98373	0.7
139.83728	0.7
140.01096	9.6
152.99495	4.0
171.00519	0.9
177.12781	1.1
179.14374	1.3
195.12030	1.0
195.13843	20.9
196.03737	16.9
196.14174	1.0
214.04810	4.1
233.28253	0.5
277.21741	17.6
278.22098	1.7
293.79153	0.8
294.21542	0.9
295.22781	100.0
296.23126	7.9
369.95917	0.5
436.77606	0.6
461.29172	0.6
492.27332	52.4
493.27579	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	491.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	0.5
59.01251	100.0
60.01595	1.2
60.87776	0.3
68.18652	0.3
70.31848	1.5
71.01245	2.5
72.99189	1.1
73.02825	0.6
75.00756	1.0
85.02799	0.6
89.02332	1.1
97.02837	0.5
97.60343	0.3
101.02335	0.8
104.03468	0.4
113.02374	0.8
119.03365	0.4
123.04424	0.8
125.02357	0.8
125.98330	0.3
149.09637	0.4
155.10696	0.7
161.04477	0.8
162.37271	0.4
164.53357	0.3
165.01933	0.6
227.16571	1.5
242.99745	0.3
254.05800	0.5
259.94983	0.4
287.06290	0.4
287.09338	1.5
336.08890	0.5
389.21857	1.6
431.22812	1.7
491.18616	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.25
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.4
59.01252	100.0
60.01580	2.0
71.01259	10.8
71.57793	1.4
72.99223	1.2
73.02828	2.3
74.20561	0.8
75.00689	1.0
75.61456	0.7
83.01259	1.7
85.02815	3.9
87.00809	1.6
89.02333	3.9
95.01244	1.2
99.00769	1.6
101.02328	4.8
102.20975	0.9
113.02299	2.7
119.03378	0.9
150.94724	0.8
211.13303	5.6
229.14444	2.4
268.03836	3.1
283.06149	5.5
287.22308	8.1
293.21317	2.6
311.22241	1.4
329.23303	5.7
405.07562	1.4
431.26389	5.5
449.27573	7.4
491.28604	54.4
492.28995	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	491.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24739	1.2
59.01249	76.8
59.67952	1.3
65.08628	1.5
68.55585	1.6
71.01254	15.6
71.57690	2.6
72.99162	1.7
85.02824	6.5
87.00758	2.2
89.02316	12.4
95.01209	1.5
99.00726	1.8
99.08008	1.4
101.02335	8.5
113.02312	5.9
119.03396	3.0
125.02309	2.5
128.00655	1.3
141.25552	1.3
153.66176	1.5
171.10168	1.6
183.13831	2.7
187.78558	1.4
211.13336	19.3
212.13628	2.5
229.14380	4.1
240.22185	1.6
254.05782	15.2
255.06180	1.8
269.08197	23.3
270.08322	2.5
293.21259	8.1
311.22305	5.2
329.23410	13.0
428.19559	1.7
459.16437	1.6
491.28613	100.0
492.29089	12.5
508.21802	1.4
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
57.03323	1.7
59.01252	100.0
69.24698	3.9
69.25134	4.0
69.87304	0.7
70.27135	0.6
71.01257	11.8
71.01613	1.0
73.02819	5.5
75.00745	1.9
83.01276	2.2
85.02841	4.7
87.00768	1.3
89.02318	5.5
95.01263	0.8
101.02327	9.9
113.02324	5.1
119.03397	2.5
125.02360	2.1
133.01286	0.9
137.02278	1.7
143.03435	1.3
151.03944	2.1
161.04483	2.6
179.05563	1.0
207.13878	1.9
209.71906	0.6
225.14990	1.0
227.16573	1.7
258.68472	0.7
268.03586	1.3
269.04556	6.0
287.05771	0.9
371.20743	6.3
372.20901	0.8
389.21811	7.7
390.22223	0.9
431.10187	1.3
431.22797	6.5
491.08160	1.0
491.18179	2.6
491.28519	2.3
517.77893	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97238	0.6
56.58536	0.5
57.03316	1.6
58.07144	0.5
59.01250	100.0
60.01567	0.8
65.00201	0.7
67.30138	0.4
69.77447	2.9
71.01254	4.1
72.99188	0.5
73.02821	2.6
75.00755	2.1
83.01267	0.7
84.45518	0.5
85.02813	3.0
87.00755	0.7
89.02314	0.7
93.03330	0.6
95.01259	0.8
96.53310	0.4
99.00792	0.9
101.02338	0.9
107.01289	0.7
109.02893	0.8
111.00732	0.5
113.02328	3.9
119.04891	0.8
121.06497	0.5
123.04430	0.5
125.02315	4.8
134.03653	0.5
137.02342	4.5
149.02357	1.3
149.06021	1.3
151.00323	1.9
151.03902	0.9
153.01868	1.2
161.04475	0.7
161.09839	0.5
167.03458	0.7
169.01343	2.5
177.01880	4.1
178.99841	1.1
195.92838	0.5
215.07141	0.9
227.16290	0.6
243.06757	0.9
249.06232	2.2
259.06091	7.9
267.07248	6.1
269.04797	0.7
269.08121	0.8
283.06229	1.3
287.05695	5.5
287.09094	1.3
301.07358	0.7
313.05499	2.8
389.21875	1.2
431.23300	0.8
463.12769	1.1
491.08826	1.5
491.17825	12.7
491.81479	0.6
492.18265	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35268	0.5
51.32276	0.4
55.01746	0.5
57.03323	1.1
58.00464	2.2
59.01253	100.0
60.01600	1.0
65.00193	2.4
71.01256	37.3
71.59676	0.5
71.60128	0.6
72.01580	0.8
72.99188	3.6
73.02824	1.9
75.00759	1.7
83.01277	2.2
85.02824	10.4
87.00761	2.8
89.02319	43.1
95.01250	2.8
97.02840	0.7
99.00790	1.4
99.04398	6.6
101.02323	20.5
101.02999	1.0
103.00251	1.1
107.01273	3.6
109.02876	1.1
113.02329	20.0
115.00167	0.6
116.92735	1.1
119.03390	19.0
121.02869	1.0
125.02343	2.0
131.03377	3.2
135.04422	11.1
136.98706	4.2
137.02356	0.9
139.00212	0.6
143.03401	4.8
149.02292	0.6
149.04503	1.7
151.00272	16.9
151.03801	0.6
153.01849	0.8
161.04463	4.8
165.01859	0.8
166.02605	1.0
169.01489	0.6
175.00310	0.8
177.01868	0.7
179.05539	15.2
181.04990	1.8
189.12822	1.1
207.13846	96.6
208.14201	6.5
209.11931	0.9
215.03459	0.9
225.14957	1.9
227.03403	1.0
229.04097	0.6
230.05611	0.6
243.02902	2.5
244.03638	0.9
251.12868	26.2
252.13210	2.2
255.03003	4.4
269.13913	3.2
270.01663	4.5
270.04828	1.1
270.14423	0.5
271.02457	8.7
272.02951	1.6
279.59793	0.5
284.03253	2.1
285.04019	6.2
286.04074	6.2
287.05612	14.6
288.06024	1.2
298.01270	6.3
299.01920	2.0
300.02777	11.3
301.03418	1.8
311.14993	17.3
312.15179	1.2
313.03564	14.4
314.04230	8.8
315.01636	1.4
315.05078	26.9
316.05515	2.9
329.06647	18.9
329.16116	0.8
330.06952	2.2
335.26443	0.5
387.20224	16.8
388.20499	1.5
417.15402	1.0
431.19147	11.7
432.19528	1.4
449.20694	0.7
476.09811	2.6
477.09476	0.6
491.11313	13.4
491.21225	16.3
491.28488	1.2
492.11581	1.5
492.21866	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2133
Annotation	Jasminoside H
Peak:m/z	Relative Intensity
55.01761	2.4
57.03318	6.3
58.00458	1.0
58.73705	0.5
59.01250	17.7
67.01756	0.7
68.31339	0.5
69.03328	1.2
69.46783	1.1
69.47192	4.0
71.01252	28.7
72.01596	0.8
72.99183	4.8
73.02822	5.4
75.00745	30.3
76.87397	0.5
83.01257	5.7
84.02043	0.9
85.02820	41.0
86.03163	0.8
87.00749	9.1
89.02313	3.7
95.01256	5.3
97.02830	0.9
98.19823	1.1
99.00761	13.9
101.02314	6.3
103.00238	1.9
106.66789	0.5
109.02781	0.7
111.00762	5.1
112.01570	0.8
113.02327	38.0
114.02682	1.0
115.00234	2.5
117.01795	2.7
118.92596	0.6
119.03358	0.7
123.00760	0.6
125.02344	1.0
129.01823	2.0
137.02322	1.3
151.00360	0.5
157.01346	2.0
159.02951	1.1
161.04471	2.6
166.02592	1.4
173.04495	0.9
175.02388	4.2
180.42033	0.5
181.04953	2.1
203.39149	0.6
286.04324	0.6
287.09137	0.7
315.18213	0.9
335.06143	2.8
417.15326	1.2
461.14783	0.8
491.21323	100.0
492.21582	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	491.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.0
57.03325	5.3
58.00455	0.8
59.01255	32.7
68.99669	1.0
69.03326	0.8
69.34962	0.5
69.99697	3.0
71.01256	26.1
72.99180	3.9
73.02819	4.5
75.00748	25.3
78.23006	0.5
83.01260	5.3
84.02054	0.6
85.02826	31.1
87.00759	8.0
89.02343	3.5
95.01262	5.4
97.02840	1.7
99.00756	10.5
101.02335	8.1
103.00263	0.9
108.45233	0.5
111.00784	5.3
113.02334	31.9
115.00224	2.8
117.01812	1.6
119.03351	1.0
125.02338	3.9
129.01816	1.8
131.03360	1.0
135.99426	0.5
141.01949	0.6
143.03465	1.0
153.02031	0.6
157.01338	0.8
157.90530	0.6
159.02827	0.8
161.04483	3.0
165.05402	0.8
175.02377	4.5
209.08177	0.7
224.23015	0.6
225.42651	0.6
315.17987	1.2
335.06274	3.3
431.19217	0.9
431.26547	2.2
449.13110	1.5
449.27390	1.6
473.20084	0.8
491.21341	100.0
492.21661	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	491.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37283	0.9
57.03325	1.9
58.00473	1.4
59.01256	34.4
63.02264	2.0
64.99879	0.8
65.00192	5.0
71.00888	1.6
71.01254	18.1
72.99186	83.2
73.02842	1.8
75.00748	2.4
81.03332	1.4
83.01273	4.7
84.01981	0.9
85.02821	6.2
87.00759	1.6
89.02319	14.8
91.12979	0.8
93.03307	1.6
95.01267	1.6
98.20648	1.8
99.00757	1.3
99.04391	1.2
101.02319	11.0
107.01286	8.4
109.02841	6.1
109.06454	1.1
111.00765	1.7
111.48050	0.9
113.02347	5.6
119.01278	1.3
119.03411	6.6
119.04922	2.3
121.02854	6.7
122.03612	3.3
125.02303	3.4
129.01851	1.1
129.98930	0.9
135.00716	1.3
135.04413	1.2
139.03937	1.2
147.08002	1.6
149.02383	2.3
149.05952	1.6
150.99123	1.8
151.00279	28.5
152.00638	1.0
159.04401	1.2
161.02217	1.3
161.04460	1.1
163.00310	5.2
163.03934	2.0
165.01906	1.0
165.05424	6.8
169.01349	3.5
169.69313	0.9
176.03642	1.0
177.01831	1.2
178.99796	13.5
179.05591	1.4
181.05011	1.0
186.01999	0.9
187.03915	2.4
189.05521	1.4
189.09157	21.0
190.09480	1.2
191.01862	1.8
199.03915	0.9
201.05473	1.4
203.03481	1.4
206.09381	1.1
207.10138	1.3
211.03929	3.5
215.03450	1.0
219.10199	5.2
221.11766	1.2
227.03453	3.8
229.05040	2.5
239.03340	1.5
243.03012	1.5
245.04506	3.9
255.03009	6.8
256.03638	1.4
257.04568	1.1
259.02356	1.1
267.07196	1.2
271.02478	2.6
273.03931	2.2
283.02463	4.2
285.00372	1.0
285.03934	1.1
299.01941	3.4
300.02597	2.0
301.03537	100.0
302.03903	8.6
314.04242	2.2
315.01398	1.8
329.03049	2.1
329.06595	3.2
330.13235	2.6
364.72522	1.0
381.09143	1.0
381.15427	1.5
399.16553	8.4
400.17297	3.2
419.57755	1.1
490.18399	1.0
491.07986	2.7
491.11493	1.9
491.17529	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	491.1769
Annotation	Rhyncoside D
Peak:m/z	Relative Intensity
55.01744	1.0
55.67928	0.6
57.03315	3.3
58.00452	0.6
59.01252	36.5
68.99691	1.2
69.03336	1.3
69.57552	1.2
69.57950	4.0
71.01251	12.0
72.65177	0.5
72.99166	3.8
73.02810	1.0
75.00740	8.2
83.01264	1.0
83.11731	0.6
85.02819	10.6
87.00768	4.5
89.02312	2.8
93.03340	0.6
95.01248	2.7
98.20432	1.2
99.00769	5.0
99.04404	1.5
101.02322	1.0
103.00230	0.7
113.02333	10.7
115.00245	1.3
117.01820	1.4
119.08569	0.8
125.02287	1.0
129.01834	1.2
135.04395	0.7
135.08029	0.7
135.11676	0.9
135.17072	0.5
137.02315	0.7
137.09630	5.7
152.48015	0.5
153.09120	0.6
157.01326	0.9
161.09683	0.8
163.07516	1.0
167.03473	0.8
175.02399	1.6
179.10701	3.6
181.08641	3.5
189.03946	0.6
197.11761	3.1
223.09763	1.0
225.05435	0.8
231.05028	1.4
241.10788	1.6
249.06131	12.3
259.06082	0.8
267.07199	10.4
268.07715	0.9
287.08966	0.7
314.11758	0.9
315.14383	4.1
324.95239	0.6
329.13916	2.1
429.17725	2.3
431.15674	2.8
473.16696	3.9
491.17712	100.0
492.18011	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	491.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	2.1
57.03323	5.4
58.00469	1.2
59.01249	23.6
68.99686	0.9
69.03319	0.8
71.01250	26.7
72.99170	4.1
73.02816	5.2
75.00745	24.4
76.44427	0.6
83.01257	3.4
85.02819	32.3
85.99956	0.7
86.03151	0.7
87.00748	8.0
89.02319	5.9
95.01254	4.8
97.02802	1.2
98.48943	0.6
99.00752	8.9
101.02332	6.8
103.00218	0.6
107.01262	1.6
109.02812	1.7
110.01845	0.6
111.00781	0.9
112.01541	1.2
113.02324	29.1
115.00247	2.1
117.01776	1.3
119.03412	1.3
121.02843	1.1
125.02318	2.2
129.01830	0.8
135.00723	1.0
135.04350	0.8
137.02321	0.8
143.03377	0.7
149.02341	1.0
150.03114	0.9
151.00302	1.4
153.01796	0.9
157.01247	0.7
161.04437	2.5
163.00282	0.9
169.01283	1.1
175.02367	3.3
177.01826	0.7
179.05476	0.7
181.04961	0.8
181.74008	0.7
185.05933	0.8
187.03998	1.1
188.04372	1.3
191.03403	0.6
211.04008	0.9
227.03442	7.7
228.03758	5.8
229.03827	6.4
230.05301	2.5
231.05573	2.3
255.02928	14.8
256.03305	13.2
257.03488	15.7
258.04398	1.4
259.05115	1.4
284.03232	14.2
285.03845	33.2
286.04086	38.1
287.04584	30.0
287.08426	0.8
287.09222	0.8
288.04984	1.6
299.01941	0.7
314.04346	0.6
315.01447	1.4
315.18170	1.3
329.06601	1.3
431.08783	2.0
491.11105	17.2
491.21301	100.0
492.11182	1.6
492.21674	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	491.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07887	0.6
53.75513	0.5
55.01742	0.6
57.03317	2.5
58.00461	0.9
59.01250	23.3
59.77111	0.5
62.56724	0.5
63.02264	2.5
65.00190	4.0
71.01254	12.5
72.99184	60.9
73.02837	1.7
73.99515	0.9
75.00740	2.3
76.78754	0.6
81.03315	0.7
83.01257	4.1
83.04887	0.7
85.02425	0.5
85.02834	5.6
85.14780	0.6
87.00732	1.3
89.02319	9.7
91.01801	0.6
93.03319	2.0
95.01266	1.4
98.19751	1.1
99.00775	1.1
99.04381	0.7
101.02324	7.7
107.01276	8.8
108.02058	1.2
109.02834	7.2
109.06416	0.7
113.02345	5.2
119.01295	0.9
119.03399	5.2
119.04897	1.4
121.02863	7.8
122.03641	3.3
125.02354	1.9
131.03435	0.8
135.00769	1.6
135.04436	1.5
137.02324	0.8
139.00304	0.7
143.04871	0.7
147.08008	0.9
149.02365	2.5
149.05986	1.9
150.03223	0.9
151.00290	30.0
152.00659	1.2
157.06425	0.6
159.04420	1.4
161.02357	1.1
161.04483	0.8
163.00320	6.3
163.03905	1.1
165.01926	0.7
165.05472	6.0
166.02660	0.6
169.01399	3.1
171.04430	0.9
173.05968	0.8
175.03879	0.8
177.01804	0.6
177.09113	0.7
178.99802	13.7
179.05450	0.9
181.04984	1.6
183.04474	1.2
187.03970	1.2
189.04025	0.7
189.09158	16.4
190.09413	0.6
190.99823	0.7
191.01843	0.7
195.06612	1.0
196.06807	0.7
197.07114	0.8
199.03780	0.7
201.05489	1.1
203.03438	0.9
206.09337	0.9
207.10208	1.0
211.03937	2.7
217.05002	0.9
219.10265	2.5
221.11604	1.0
227.03494	3.2
229.05037	2.2
229.60239	0.6
231.02785	0.8
237.11234	0.8
239.03450	1.0
243.02861	1.1
245.04526	4.3
249.06126	1.0
255.02937	5.2
256.03668	1.2
257.00858	0.9
266.02200	0.9
271.02509	2.7
272.03256	0.6
273.04074	2.4
283.02582	4.0
285.00446	0.7
285.04108	0.7
286.01120	0.8
287.01996	1.2
299.01965	2.2
300.02731	1.1
301.03528	100.0
302.03873	8.8
314.04401	1.2
315.01532	2.2
316.01984	0.9
329.02924	1.4
329.06586	1.0
330.13293	1.7
361.18924	0.8
381.15686	1.3
399.16614	6.8
400.17264	2.3
417.15475	1.2
491.08566	2.0
491.17239	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	491.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63743	0.8
52.13824	0.8
57.03310	0.9
59.01255	28.6
70.24903	0.8
71.01270	4.5
71.60405	1.3
71.66641	0.8
72.99188	1.0
73.02820	3.0
75.00747	1.6
80.32238	0.7
82.08485	0.9
83.01244	2.2
83.50153	0.8
85.02817	2.4
87.00753	1.4
87.37452	0.9
89.02303	1.5
101.02335	3.8
107.01256	1.0
108.02080	8.6
109.02847	6.7
111.00725	0.8
113.02313	2.9
119.03388	1.5
121.02813	2.9
122.03605	1.2
125.02322	1.8
132.02055	1.0
134.03618	2.0
135.04427	2.1
137.02368	1.4
149.02328	1.8
149.04445	1.0
150.03157	1.5
151.00247	2.8
151.03903	1.2
152.01045	7.4
153.01852	5.3
153.09097	1.4
160.01570	5.5
161.02364	4.8
161.04433	1.6
163.07567	2.5
164.04788	1.0
174.03076	1.1
175.03944	3.8
177.01836	1.3
198.03169	1.5
198.31482	0.8
202.02669	1.3
203.03488	1.1
214.02689	1.8
217.05042	0.9
223.06012	1.1
225.01811	0.8
226.02689	7.6
227.03493	6.8
228.03825	1.2
229.03931	1.5
242.02159	3.5
243.03011	7.9
245.04616	1.2
253.01472	1.6
254.02090	2.3
255.02965	5.4
256.03339	3.1
257.03564	4.7
270.01682	11.3
271.02481	13.4
272.06952	1.7
283.02502	1.5
284.03299	4.6
285.04037	23.3
285.07336	1.0
286.04080	7.6
286.07623	1.6
287.04535	4.5
287.09125	4.4
297.03967	1.6
298.01218	1.4
299.02036	12.2
299.05411	1.5
300.02594	1.5
312.02811	1.5
313.03558	35.1
313.07288	1.8
314.04218	10.1
315.04672	1.8
327.05194	3.3
328.05789	6.5
329.06647	12.6
330.06967	1.6
343.04681	1.3
387.14221	1.7
460.19998	1.1
461.07214	10.3
476.09662	11.2
477.09827	1.0
491.11902	100.0
492.12308	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	491.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.8
64.69814	0.7
69.27017	6.0
69.27422	2.3
78.95789	2.8
98.20570	1.7
123.00755	0.8
132.02119	1.5
149.02365	1.1
151.60870	0.7
152.99525	2.0
155.04959	1.5
161.02362	1.8
167.04942	2.3
175.00279	0.8
176.04756	1.1
177.01944	0.9
179.03426	2.5
179.07077	1.6
183.02960	0.9
183.04436	3.9
194.05740	3.4
195.04456	6.0
196.05145	1.0
209.08145	10.6
210.03305	1.0
211.03908	8.6
212.04675	2.6
220.93222	0.8
223.03973	5.1
224.04750	7.2
239.03464	27.7
240.04030	3.7
241.05022	3.1
251.03377	1.1
267.02969	37.2
267.05850	1.8
268.03738	17.5
269.03995	0.8
282.05334	100.0
283.02701	1.8
283.06030	37.0
284.06506	2.2
297.04150	2.3
297.07520	1.0
298.04974	3.3
312.06424	6.1
313.07172	3.0
404.53458	0.9
444.33652	0.8
491.13519	5.7
492.13257	0.9
501.87900	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	5.6
69.34501	48.4
69.34798	5.0
71.01246	20.0
73.02819	14.3
75.00783	5.4
81.32337	5.1
82.99272	4.8
87.00783	9.5
89.02320	67.3
103.03862	5.8
131.03378	9.7
142.71077	5.4
149.04453	100.0
262.09250	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	491.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81909	0.6
51.52314	0.7
52.25169	0.6
56.25821	0.5
57.03326	3.2
58.00470	0.7
58.02838	1.0
59.01251	57.6
67.01726	0.7
67.08770	0.6
68.99670	0.7
69.03317	0.9
70.88942	1.2
71.00894	1.2
71.01253	14.2
71.04919	0.7
72.99187	3.0
73.02811	1.6
75.00751	11.5
81.03296	0.8
83.01260	1.7
85.02822	15.7
86.10860	0.5
87.00739	5.6
89.02315	4.1
91.03879	0.7
93.03346	0.9
95.01261	3.1
99.00755	7.0
99.04396	1.9
100.45231	0.6
101.02315	1.9
102.01834	1.2
103.00238	1.4
109.02815	1.0
111.00733	0.7
113.02332	15.7
115.00245	2.0
117.01820	1.4
118.31332	0.6
119.08572	1.4
120.97224	0.6
123.04392	0.8
125.02317	3.2
127.74104	0.6
129.01782	1.2
131.03432	0.7
135.08023	1.0
135.11655	1.1
137.09621	6.4
139.54872	0.6
151.03893	0.6
153.01801	1.0
153.09090	1.5
157.01335	0.8
161.04410	1.1
161.09596	2.1
163.07582	1.4
167.03371	0.8
175.02396	1.9
176.81863	0.6
177.01715	0.7
179.10677	3.5
181.08612	3.5
197.11697	3.6
199.22186	0.7
223.09651	1.6
231.05037	1.6
241.10747	1.5
249.06143	13.7
250.06592	0.9
259.06024	3.8
267.07224	10.2
287.05621	1.5
287.08881	0.8
314.04282	0.7
315.14490	4.1
329.06586	2.2
329.13812	1.9
410.76013	0.6
429.17514	3.5
431.15363	3.2
452.57492	0.7
473.16638	3.4
486.36221	0.7
491.17715	100.0
491.77789	0.7
492.18198	10.7
506.07126	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	3.2
59.01253	44.7
69.03329	2.8
69.68729	5.1
69.69163	5.9
71.01251	22.9
72.99171	5.5
73.02814	4.1
75.00745	14.6
80.13373	1.5
83.01234	2.3
85.02829	19.6
87.00759	10.4
89.02315	8.3
93.03320	2.0
95.01234	3.4
98.19792	2.5
99.00762	9.8
101.02312	3.0
103.00204	4.2
103.03864	1.7
107.05641	1.5
109.02824	3.0
113.02339	25.1
115.00217	3.3
117.01845	2.3
119.04910	3.9
121.02815	3.8
123.04436	4.3
125.02312	5.2
125.09411	1.5
129.01831	2.4
133.02803	2.0
134.03580	1.6
135.00771	3.5
135.04410	2.2
136.01553	1.6
137.02400	3.2
137.09608	2.2
139.00296	2.4
149.02315	2.9
149.04419	4.2
151.00278	5.3
151.03925	1.9
153.01776	3.5
163.00212	6.2
164.01054	3.6
167.10582	1.9
169.01375	1.6
175.02383	4.7
175.03802	2.7
179.03523	1.8
179.10718	8.2
183.04494	1.8
187.05791	1.4
197.11784	8.4
219.02946	1.5
223.09619	2.8
227.03455	2.0
233.07954	1.6
243.02933	4.2
244.03412	1.9
249.06163	12.1
254.02242	3.0
255.02916	6.3
259.02536	2.0
259.05972	3.2
267.07199	10.7
269.04599	2.9
271.02420	5.1
285.03964	8.7
287.02121	3.2
287.09146	3.8
297.07541	2.2
299.02100	2.9
300.02725	9.6
310.75653	1.6
313.03558	2.7
314.04276	5.4
315.01471	4.6
315.05054	34.6
315.14453	2.8
316.02011	2.9
316.05463	2.2
329.06558	3.4
359.15097	1.9
429.17688	5.0
473.16690	16.5
491.09903	5.9
491.17700	100.0
492.07635	1.7
492.18390	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	491.1197
Annotation	Betuletol 3-galactoside
Peak:m/z	Relative Intensity
53.96214	0.9
57.03328	7.6
57.80183	0.9
59.01252	61.6
63.02271	1.5
65.00195	4.6
68.99668	1.1
71.01249	5.5
71.87054	0.9
72.99195	1.2
73.02816	1.9
75.00758	2.4
81.03323	5.7
83.01269	6.5
83.42181	0.9
85.02831	4.7
87.00774	1.3
89.02328	1.3
93.03339	5.4
95.01280	1.6
97.02863	1.4
99.00795	2.3
99.01855	1.2
99.04371	1.3
101.02319	2.0
107.01278	6.5
109.02836	2.8
111.00742	1.7
113.02366	4.8
116.92775	1.1
121.02873	2.0
123.04432	2.2
124.01542	1.9
125.02339	52.9
126.02721	1.1
131.01277	1.2
131.04938	1.2
133.02847	3.5
134.03635	1.4
137.02332	4.4
139.03955	2.5
145.06561	1.2
149.02354	3.2
149.05856	1.3
151.00267	15.5
151.03822	1.2
152.01068	4.4
153.01865	5.8
157.06528	1.1
158.03645	1.4
165.01817	2.0
169.01341	9.1
172.05247	4.9
173.05994	11.9
175.00323	2.4
175.03940	2.7
177.01872	12.5
177.05441	6.9
178.99779	15.2
179.10774	1.4
180.00298	1.2
181.01321	2.5
182.58243	0.9
193.05008	1.0
199.07587	1.7
201.05516	3.1
215.07094	13.6
216.07333	1.1
219.06618	1.1
241.05095	1.3
243.06598	7.1
249.06149	3.1
255.06587	1.1
259.06116	100.0
260.06412	7.6
267.07156	4.8
269.04544	1.8
273.07751	1.4
276.17966	0.9
283.06146	17.7
284.06348	1.3
285.04095	1.4
287.05612	55.9
288.05939	3.9
301.07126	8.5
311.05554	1.7
313.05438	7.8
384.88950	1.0
463.12607	12.9
464.12762	2.5
491.08597	5.5
491.17737	24.2
492.18372	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85796	0.4
55.01756	0.5
57.03319	0.9
58.00462	0.6
59.01251	15.4
62.47227	0.5
63.02255	0.7
65.00191	0.6
71.01254	11.0
72.99181	1.3
73.02815	0.8
75.00744	3.5
83.01263	0.8
85.02830	10.8
85.66605	0.4
86.23366	0.4
87.00755	2.0
89.02320	4.5
95.01246	2.3
98.20627	0.9
99.00762	3.0
99.04443	0.7
101.02342	2.7
103.00238	1.8
107.01270	1.9
108.02060	0.9
113.02335	16.8
114.02688	0.8
115.00261	0.4
117.01791	0.9
119.03394	1.1
120.88879	0.4
125.02312	1.0
125.26411	0.4
129.01839	0.9
135.00739	0.5
135.04416	0.9
148.01595	1.5
149.99648	0.4
151.00310	4.0
156.63593	0.4
161.02295	0.5
161.04503	0.6
163.00282	1.1
163.22240	0.5
164.01100	0.7
169.01314	0.7
171.10387	0.4
175.02403	2.8
175.03702	0.5
179.05493	1.3
185.62543	0.4
192.00717	0.5
193.28180	0.5
199.04045	0.6
200.04776	0.8
202.02736	0.6
205.80632	0.5
207.13843	7.3
215.03439	0.6
216.04161	0.9
226.02606	1.0
227.03430	2.0
228.04158	1.0
243.02957	8.3
244.03677	2.0
251.12865	2.0
254.02176	1.2
255.02959	16.2
256.03479	1.5
259.06152	0.9
269.13968	1.2
271.02481	28.7
272.03018	4.6
285.03854	1.4
286.04211	1.2
287.05496	2.1
299.01974	0.9
300.02750	38.9
301.03061	3.6
311.15176	1.4
315.05106	100.0
316.05429	7.6
387.20218	1.4
491.10507	2.2
491.21283	1.4
491.28168	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02240	0.3
52.79915	0.4
55.01776	0.4
57.87307	0.4
59.01245	3.4
67.36488	0.4
67.46098	0.4
69.60115	1.9
69.60526	0.8
71.01260	1.7
72.99187	1.2
75.00737	0.9
81.03365	0.4
85.02828	1.8
87.00757	0.9
89.02334	0.6
89.03851	1.2
95.01264	0.6
97.83948	0.3
98.20516	0.7
101.02344	0.6
104.36687	0.4
105.03362	2.6
107.01276	1.6
109.02864	0.5
111.00777	0.5
113.02338	0.9
119.04942	0.7
123.00797	0.7
125.02328	5.6
133.02853	7.2
134.03169	0.6
135.04425	1.5
139.00252	0.6
140.01033	0.5
143.04883	0.4
147.87604	0.4
148.01540	0.6
149.00858	0.5
149.02335	1.3
149.04446	0.4
151.00273	1.1
159.04477	0.7
161.02388	0.6
163.00278	0.6
163.03970	0.5
165.03931	0.8
168.00595	0.5
169.01329	7.2
170.01668	0.4
176.01073	1.3
177.01848	100.0
178.02180	5.2
179.03436	0.8
189.05429	0.6
203.03413	0.7
213.99936	0.4
215.03517	0.5
225.05463	1.4
231.02785	0.5
245.02374	0.4
259.02386	1.0
267.06934	0.6
287.01794	2.1
313.05676	6.4
314.11536	1.1
315.01440	5.0
316.02014	0.8
329.06476	0.4
329.13870	3.2
339.07190	18.9
340.07486	1.9
431.45895	0.5
467.95767	0.4
491.08148	12.6
491.18353	0.9
492.08731	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10668	0.5
52.99032	0.6
57.03332	3.9
58.00470	0.6
59.01255	25.8
59.80442	0.6
60.01579	1.7
63.02272	2.6
65.00191	4.9
68.13365	0.5
68.99680	0.5
69.03334	0.7
71.01255	6.5
71.60064	0.6
71.60440	0.6
72.99186	13.7
73.02802	1.0
75.00748	2.3
81.03327	0.8
83.01256	4.2
85.02824	5.7
86.92935	0.6
87.00766	1.6
89.02322	3.9
93.03344	1.2
95.01276	1.3
99.00781	1.3
99.04402	3.7
101.02338	3.4
107.01270	9.3
109.02145	0.8
109.02844	8.2
111.00765	0.9
111.04456	0.9
113.02333	3.3
119.01287	1.1
119.03376	0.9
119.04965	0.9
121.02852	8.3
122.03622	0.8
125.02352	4.6
129.01799	0.9
133.02863	0.8
135.00783	1.1
135.04382	1.5
137.02365	1.1
139.00264	1.7
139.03922	1.1
145.02913	0.7
149.02336	2.8
149.04425	0.6
149.06004	0.6
151.00279	28.9
151.07573	2.0
152.00607	1.0
152.07901	1.5
159.04460	1.1
161.02330	0.6
161.06026	1.0
163.00275	6.0
163.03909	0.8
164.01077	0.9
165.05473	1.9
167.04900	0.8
169.01367	4.6
171.04469	0.8
173.05991	0.9
175.03883	1.1
177.01808	1.7
178.99789	12.7
183.04437	1.8
187.03961	1.2
189.09151	2.6
191.01930	1.2
193.01314	0.7
195.04732	0.9
195.06549	6.1
196.06895	4.3
197.07071	2.8
197.11774	0.9
199.03943	1.1
201.05540	1.5
203.03380	1.2
211.03947	2.1
214.02621	0.7
215.03519	0.8
217.01469	0.6
219.10225	0.7
226.02618	1.0
227.03384	3.3
229.04999	2.3
239.03462	0.9
240.04279	0.6
241.05028	0.6
243.02962	1.9
245.04543	4.0
255.02966	7.7
256.03571	1.9
257.00925	1.4
257.04419	1.4
267.07120	0.7
269.04538	1.0
270.05243	0.7
271.02411	2.7
273.04007	3.2
283.02286	2.9
284.03259	1.1
285.04019	3.9
285.07520	1.2
287.02069	0.8
287.05106	0.6
287.09286	1.4
299.01895	3.1
300.02625	1.1
301.03546	100.0
302.03836	7.3
314.04407	2.0
315.01471	3.1
317.88312	0.6
328.02350	0.8
328.99460	0.6
329.03073	1.9
329.06729	2.7
399.17087	0.8
447.09235	2.3
490.16589	0.7
491.08585	4.0
491.17557	4.8
491.28970	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09043	0.5
57.03324	0.8
59.01248	2.2
61.11679	0.4
68.99090	0.5
69.41788	0.5
70.84362	0.5
71.01260	1.0
71.39050	1.2
78.95779	100.0
81.70519	0.4
85.02854	0.6
89.02314	0.6
96.96848	8.6
101.02311	1.0
101.78188	0.4
113.09614	3.2
130.39630	0.5
140.01096	1.1
140.98651	0.5
150.97919	0.6
152.99484	17.9
153.99802	0.6
163.07576	0.6
171.00565	19.3
171.10182	0.8
195.13715	0.5
214.04807	1.3
214.99463	0.5
275.20395	1.2
293.21255	20.3
294.21561	1.3
310.06372	0.6
416.22174	1.5
490.25757	63.9
491.26120	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46954	0.6
55.01748	1.2
57.03312	2.3
58.00478	1.2
59.01250	32.8
61.50193	0.6
69.03327	1.0
71.01250	19.5
72.99169	2.0
73.02805	2.6
75.00739	1.3
83.01250	1.4
85.02823	8.4
87.00726	1.7
89.02312	8.6
95.01261	1.6
97.02844	0.9
97.06492	1.0
99.00778	1.0
101.02325	10.2
113.02332	5.9
119.03366	3.1
121.02892	0.9
123.04394	1.7
124.01552	0.6
125.02310	2.5
125.09595	1.1
127.11184	0.7
130.49702	0.8
137.09625	0.7
137.46913	0.6
138.77469	0.5
143.06966	0.7
147.04430	0.6
153.37787	0.6
155.10690	3.2
161.02304	1.9
161.04440	0.9
165.12714	1.6
171.10181	8.5
183.13863	1.3
185.11723	1.8
197.11740	1.0
201.11346	0.8
204.78238	0.6
209.11725	1.3
211.13344	7.8
225.56067	0.6
229.14395	14.4
230.14665	0.9
239.12914	0.9
241.08701	1.6
248.09641	0.7
267.19550	0.9
270.05304	6.0
271.05692	0.9
285.07666	7.4
285.20630	2.4
286.08090	0.8
291.19650	8.9
292.20004	1.0
309.20679	9.2
311.22205	0.9
327.21744	6.7
328.22058	0.8
391.19885	1.4
429.24985	2.1
447.26413	4.7
489.27072	100.0
490.21265	0.8
490.27390	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	489.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84708	0.6
55.01762	1.8
57.03328	1.5
58.00470	3.5
58.61194	0.6
59.01254	76.2
60.01574	1.3
61.82566	0.5
69.03310	1.2
69.29589	6.6
69.82217	0.5
71.01256	71.1
72.01586	1.5
72.99192	4.6
73.02820	18.0
75.00740	1.3
75.03127	0.6
78.95783	7.2
83.01267	3.0
85.02336	1.1
85.02825	13.6
87.00744	2.2
89.02321	100.0
90.02639	1.2
95.01258	2.1
97.02826	2.0
99.00761	29.3
100.01117	0.9
100.23098	0.6
101.02325	47.2
102.02679	1.2
113.02335	16.1
115.03895	1.2
119.03400	14.2
125.02346	5.9
131.02457	1.2
131.03400	17.6
131.04384	1.1
143.03424	3.3
146.90369	0.6
149.04468	49.1
150.04782	1.6
150.22977	0.6
152.99503	1.1
161.04466	5.4
168.56194	0.6
171.00575	1.3
179.05521	3.1
191.05554	13.4
203.19933	0.6
221.06612	1.3
227.03624	0.7
233.06569	1.2
251.07681	1.8
255.02867	1.1
284.03241	2.4
285.04004	1.7
333.72781	0.6
341.11380	0.6
357.22849	3.3
370.43073	0.7
432.85614	0.7
489.10220	1.2
489.27130	11.2
489.33905	1.4
490.25821	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	489.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.0
57.03323	2.4
58.00471	0.6
59.01252	28.4
69.03341	1.0
69.78917	2.7
71.01254	15.8
72.99194	1.6
73.02826	4.0
75.00751	1.2
83.01272	2.2
84.02023	0.4
85.02825	7.4
87.00760	1.4
89.02321	7.0
95.01258	2.1
97.02865	0.8
97.06480	1.3
99.00756	1.4
101.02325	8.5
108.02072	0.7
109.02865	0.5
113.02332	5.1
119.03391	2.8
119.34621	0.4
123.04476	0.7
123.08096	0.5
125.02366	1.6
125.05947	0.4
125.09608	1.3
127.11168	2.0
129.01796	0.4
137.09598	0.5
143.07088	0.5
155.10701	4.5
155.14264	0.5
161.02327	1.6
161.04500	1.1
163.11179	0.6
165.12782	1.9
167.14297	0.6
169.01324	0.6
171.10187	9.9
177.01830	0.4
181.12279	0.5
183.13840	1.8
185.11821	0.4
193.12123	0.5
195.13757	0.5
197.11784	1.2
201.11200	0.5
209.11769	2.0
211.13326	10.5
212.13672	0.9
213.14885	0.6
221.11778	1.4
227.12906	1.3
229.14418	23.2
230.14763	1.2
239.12805	0.6
241.08496	0.8
247.20604	1.0
269.04507	0.7
270.05350	4.6
271.05676	0.6
285.07684	5.8
285.20651	2.3
286.08087	1.0
291.19656	6.8
292.19843	0.5
309.20694	6.0
310.21341	0.6
311.22147	2.1
315.18057	0.8
327.21780	8.4
328.22095	0.5
391.19748	2.7
429.25201	1.1
447.27054	3.2
471.25949	0.8
489.27121	100.0
490.20917	0.7
490.27386	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	489.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96991	24.5
59.01247	39.1
70.87656	76.5
78.95776	72.4
152.99467	37.8
171.00533	52.8
206.18352	30.1
313.53757	25.8
325.18338	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	489.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.6
57.03331	1.9
58.00475	2.9
59.01252	74.0
59.58472	0.5
60.01566	0.6
61.98696	0.5
63.77872	0.5
67.05864	0.4
69.03345	1.4
71.01257	65.5
71.58450	1.1
72.01614	1.0
72.99181	4.4
73.02821	17.9
78.95782	6.2
83.01266	2.5
85.02828	9.7
87.00755	3.1
87.98389	0.6
89.02319	100.0
90.02655	1.7
95.01260	2.3
97.02832	2.0
99.00761	27.4
100.38052	0.5
101.02325	46.8
102.02618	0.8
110.79789	0.5
111.00706	0.6
113.02337	14.8
115.03918	1.4
119.03391	14.6
125.02340	6.4
131.03401	21.5
132.03659	0.6
143.03424	3.7
149.04468	52.4
150.04773	1.7
152.99519	0.9
159.02919	0.5
161.04474	6.5
171.00572	1.2
179.05574	3.2
191.05551	14.0
199.51669	0.5
221.06546	0.8
227.03249	0.8
233.06448	1.7
251.07597	2.0
255.02893	1.2
268.72000	0.6
284.03046	1.8
285.03952	1.8
293.08490	0.8
357.22800	3.9
446.59232	0.6
474.12955	0.9
489.09738	0.7
489.27097	13.9
489.33902	1.3
490.26178	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77041	0.6
54.93575	0.5
57.03319	1.6
57.95130	0.5
59.01252	100.0
59.91523	0.5
60.01592	0.5
62.51561	0.5
66.26282	0.5
71.01257	4.6
71.04919	0.5
71.14632	1.1
72.99192	0.8
73.02816	1.2
75.00764	0.6
83.01274	1.1
83.04882	0.5
85.02820	3.7
89.02328	1.7
95.01279	0.8
99.00773	0.7
101.02328	2.5
113.02305	2.8
121.02849	0.8
125.02388	1.9
136.66139	0.4
137.02361	1.2
143.03404	0.9
143.44278	0.5
149.06033	0.5
167.03395	0.6
170.01303	0.6
224.32504	0.5
225.05499	0.6
241.08688	1.1
255.02969	2.9
256.03534	0.6
270.08914	0.6
284.03217	3.5
285.04077	5.5
285.11325	5.9
345.29892	2.5
489.10605	1.9
489.27905	3.3
489.33957	0.8
490.10831	0.8
490.26611	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86564	0.4
59.01273	0.4
71.58539	0.7
78.95779	53.8
80.96381	0.4
85.06440	2.4
96.96844	6.5
150.97913	2.2
152.99500	100.0
153.99846	1.2
171.00574	4.8
195.83174	0.4
217.89011	0.4
293.43277	0.4
316.87598	0.4
335.25876	1.0
353.18503	0.4
489.26227	4.5
489.36011	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	489.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68671	0.9
54.47240	0.9
54.69065	0.8
55.01754	2.6
57.03316	3.1
58.00480	1.0
59.01253	100.0
69.03340	1.4
70.97668	1.7
70.98004	1.1
71.01257	44.9
72.99182	2.6
73.02823	23.7
75.00759	2.0
83.01266	6.8
85.02824	21.6
87.00767	2.7
89.02321	11.3
95.01257	4.6
97.02822	2.5
99.00749	11.5
101.02325	28.8
113.02336	23.0
119.03429	3.3
125.02342	2.9
125.09642	1.0
127.11232	1.4
129.01831	0.9
131.03406	3.2
143.03424	2.8
155.10696	2.5
159.02907	2.9
161.04468	12.4
171.10168	6.6
183.13916	1.2
188.39282	0.8
191.05618	1.0
209.11700	1.2
211.13321	6.2
229.14418	17.5
247.39107	0.9
249.14761	1.1
285.07385	1.5
291.19672	2.6
297.17181	1.5
309.20703	2.2
315.18100	19.2
316.18542	1.2
327.21777	6.0
357.19220	2.9
429.20963	8.7
447.22305	48.5
448.22559	5.6
489.23236	39.7
489.27292	29.9
490.23624	4.6
490.27682	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	489.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.4
59.01253	100.0
60.01585	1.2
61.25201	0.3
63.76717	0.3
71.01257	5.1
72.99207	0.6
73.02833	2.1
74.08982	0.3
75.00774	0.8
80.54250	0.3
83.01271	0.7
85.02824	2.5
86.03233	0.3
87.00777	0.4
87.27820	0.3
88.03971	0.3
89.02345	1.3
97.02837	0.5
99.00753	0.4
101.02318	2.9
109.02860	0.3
113.02332	2.3
119.03409	0.5
119.04890	0.3
121.02838	1.9
125.02345	2.4
131.03401	0.3
132.02968	0.4
136.01532	1.5
137.02359	0.6
138.06763	2.0
143.03354	0.3
149.04465	0.6
151.03870	1.9
153.01872	0.3
153.09140	5.2
161.02382	0.6
161.04471	1.8
177.01859	0.4
181.29634	0.3
184.09393	0.3
207.13795	0.7
221.59570	0.3
225.14928	14.0
225.17133	0.7
226.02765	0.7
226.15280	0.8
227.03514	0.3
236.02632	0.3
237.07643	1.0
254.02194	3.7
255.02867	0.9
256.03925	0.3
269.04587	1.9
274.98926	0.3
284.03305	2.9
284.06976	2.0
285.04099	3.9
285.07220	0.7
327.12354	2.7
369.19183	2.9
370.19559	0.4
387.20242	2.9
429.21362	5.2
430.21677	0.7
474.11893	0.8
489.10605	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01583	1.2
60.65679	0.2
69.97369	1.3
71.01250	2.3
73.02812	2.7
83.01262	1.1
85.02839	0.5
89.02353	0.5
96.98700	0.2
100.53973	0.2
101.02323	3.0
106.13259	0.2
110.79514	0.3
113.02363	1.1
119.03403	0.5
125.02336	1.6
137.02429	0.3
149.04530	0.6
151.42998	0.3
161.04495	1.0
166.99773	0.5
169.01323	2.1
198.15199	0.3
214.49335	0.3
227.03508	0.8
255.02873	1.6
256.03751	0.4
284.03293	1.8
285.04050	1.8
321.02704	0.4
429.21457	0.4
489.10693	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14613	1.2
52.82589	1.3
57.03315	2.7
59.01251	19.5
69.65766	9.1
71.01255	100.0
72.01587	1.7
72.99184	30.2
82.18633	1.2
87.00748	32.3
89.02322	12.0
101.02314	4.6
113.02318	3.9
115.00256	30.0
119.03382	4.9
129.01831	9.4
133.01329	3.2
143.03387	1.7
147.02898	82.9
147.06531	7.5
148.03242	1.6
151.19528	1.3
161.04463	2.4
179.05496	5.8
207.51115	1.4
239.90112	1.2
245.11105	1.4
278.87198	1.5
296.88043	1.7
313.84833	1.2
341.10922	22.0
342.11380	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15949	0.5
59.01251	15.6
69.63822	3.4
70.54475	0.5
71.01254	19.4
72.01597	0.7
72.99171	1.7
73.02830	1.4
83.01263	5.0
85.02831	3.2
87.00756	30.0
88.01114	0.9
89.02311	1.0
99.00759	1.6
99.01879	0.6
101.02311	1.9
103.00340	0.6
111.00766	6.3
111.56792	0.5
112.98690	0.8
113.02351	3.2
115.00260	60.5
116.00604	0.8
127.00251	1.0
137.02307	1.1
139.00267	16.6
146.06046	0.9
149.00787	0.8
151.03917	1.0
157.01337	25.0
169.01433	0.6
171.10263	0.9
172.04037	0.7
174.05566	1.2
175.02402	100.0
176.02684	2.8
226.12308	2.7
240.09181	0.7
241.07426	1.2
254.10385	0.6
267.07281	0.7
269.12964	13.6
270.13260	1.0
293.65042	0.6
297.12433	1.4
299.14017	1.8
313.11981	11.0
314.12164	0.9
325.11823	0.7
341.11441	1.1
343.12976	2.5
344.12766	0.7
371.12476	7.3
373.14191	1.6
378.37314	0.6
385.14221	0.7
391.12854	0.9
399.15659	0.8
409.13953	6.1
427.14996	6.8
428.15479	1.0
429.13123	2.5
430.13196	0.8
448.57883	0.6
453.13034	1.1
455.19180	0.7
471.14236	0.6
489.15607	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	489.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99390	1.1
55.01752	2.6
57.03328	11.1
58.00468	2.2
59.01251	44.5
63.83554	1.0
67.01767	1.0
68.28066	1.0
68.99686	2.1
69.03325	1.8
69.76997	0.9
69.93933	3.8
69.94342	1.9
71.01250	58.5
71.53098	0.9
72.01617	1.1
72.99181	16.4
73.02818	7.6
75.00745	49.3
83.01249	7.5
84.02030	1.5
85.02821	55.2
86.03156	1.2
87.00755	16.2
89.02327	13.5
95.01254	6.7
97.02818	5.3
99.00753	14.4
99.04404	2.3
101.02325	12.4
103.00226	4.8
104.44632	1.0
108.02011	1.1
113.02328	54.7
114.02660	1.2
115.00253	4.7
117.01812	4.8
119.03397	1.6
125.02336	2.1
129.01823	2.9
130.99809	1.1
131.03371	8.3
149.04427	1.9
151.00302	1.6
157.01366	1.6
161.04408	1.2
173.04428	7.7
175.02386	8.8
183.02921	5.4
184.03351	1.0
185.03404	1.6
191.05505	1.2
193.03459	39.1
215.05594	1.5
217.03444	1.2
222.59508	1.0
235.04567	22.6
253.04778	1.0
269.03925	1.0
270.05246	2.8
272.22037	1.1
281.01807	1.3
281.04443	4.8
284.03278	3.5
285.04050	3.2
285.07388	1.9
313.74289	1.0
337.07809	11.1
338.08081	1.5
355.08496	1.1
483.92603	1.1
489.19766	100.0
490.20062	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	489.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11024	0.3
53.26256	0.4
57.03303	0.5
57.59508	0.4
59.01252	10.5
64.85191	0.3
67.44402	0.4
68.63004	0.4
68.99655	0.5
69.41124	3.1
71.01257	2.4
72.99177	0.7
73.02805	0.6
75.00732	0.4
85.02802	1.6
89.02325	0.9
90.99464	0.4
99.00779	0.4
101.02301	1.2
107.53508	0.3
113.02311	1.1
125.02311	1.3
137.02356	0.7
148.03944	1.5
159.04298	0.4
168.00528	0.4
169.01309	0.7
170.03749	0.6
171.04280	0.4
172.01657	0.6
173.02327	0.6
182.03621	1.1
183.04425	0.5
197.05824	0.4
198.03156	4.7
199.03809	0.6
211.03979	1.2
225.05566	0.6
226.02682	17.8
227.03314	2.2
241.05026	1.1
254.02188	100.0
255.02724	11.9
256.03384	0.8
257.04517	0.4
268.03763	0.7
269.04547	29.3
270.05203	7.9
283.10904	1.3
284.03436	3.4
284.06885	40.5
285.04007	4.2
285.07529	8.6
286.07864	0.7
309.08829	0.6
327.09644	0.6
367.17673	0.9
379.17657	0.6
389.48566	0.4
429.12250	0.5
459.09320	13.7
460.09674	1.5
467.17343	0.4
474.11731	9.1
475.12051	1.5
489.14142	44.6
489.27060	2.5
490.14487	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01316	2.8
69.89383	2.0
71.01322	1.1
85.02910	1.4
88.03961	0.4
93.75308	0.3
95.01341	0.8
98.20559	0.5
99.00825	0.5
109.02907	0.7
109.72872	0.4
113.02382	0.8
117.03500	0.3
119.82871	0.4
121.02895	0.5
123.00865	1.5
123.69009	0.3
124.01642	1.6
133.02937	1.3
136.01593	2.3
137.02377	2.2
145.02882	0.5
148.01654	1.0
161.02379	1.4
163.00337	0.5
185.06050	0.5
186.06721	0.5
187.03825	0.5
197.06082	0.6
199.03940	0.5
202.06270	0.5
211.04048	1.4
213.05559	1.3
214.06340	1.0
224.04745	1.0
225.05521	1.5
226.06281	2.1
227.03450	2.9
229.05077	0.5
241.05057	3.4
242.05710	1.0
252.04141	1.0
253.05098	1.4
255.02983	7.2
256.03455	0.8
257.04486	0.9
267.02954	0.9
269.04562	3.0
270.05328	100.0
271.05710	7.1
280.30945	0.4
284.03400	1.9
285.04239	5.2
285.07666	91.6
286.04837	0.7
286.08017	8.2
313.03543	9.2
314.03802	0.9
489.14395	0.5
489.26678	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39539	0.2
57.03319	0.2
59.00985	0.3
59.01251	3.2
63.02258	0.6
65.00195	0.6
67.40857	0.2
69.80867	0.6
69.81274	0.4
71.01266	0.9
73.02855	0.2
75.00734	0.4
77.03844	0.2
79.64596	0.2
83.01254	1.0
85.02826	0.5
89.02299	0.3
99.00768	0.2
101.02306	0.3
107.01270	2.4
113.02311	0.4
121.02845	0.5
123.00713	0.2
124.01525	0.3
125.02321	0.4
133.02852	8.6
134.03180	0.3
141.60529	0.2
143.04955	0.2
148.01585	0.2
148.33269	0.2
149.02350	1.8
151.00272	5.4
152.00639	0.2
164.01160	0.2
164.25540	0.2
169.01303	0.5
171.04449	0.4
175.03934	2.6
177.01840	0.2
183.04477	0.2
185.06056	0.4
187.03951	0.3
197.05875	0.3
198.03201	0.4
199.03969	2.4
201.01959	1.0
211.03996	0.4
213.05482	0.4
215.03448	0.4
217.04950	1.5
223.03954	0.4
227.03479	1.1
229.04982	0.6
239.16379	0.2
241.04999	1.1
243.02975	0.4
244.92674	0.2
255.02963	2.1
256.03668	1.0
257.04532	0.9
267.02823	0.4
270.05298	0.7
284.03287	6.3
285.04047	100.0
286.04388	7.7
327.05057	0.2
429.08405	0.3
447.09259	0.2
489.10413	7.3
489.19357	0.9
489.26526	0.2
490.10745	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	16.7
64.13010	0.3
68.37475	0.3
69.88178	2.1
71.01261	0.5
83.01243	1.6
83.43040	0.3
91.01778	0.3
108.60096	0.3
109.02836	1.7
123.04385	0.5
125.02341	0.3
132.02071	1.5
182.79068	0.3
195.04411	1.0
208.05186	1.2
223.03952	3.9
224.04674	1.7
241.05173	0.4
251.03520	4.0
252.04253	45.6
253.04594	3.2
267.06613	100.0
268.06946	9.2
285.07657	1.2
357.13364	3.5
358.13754	0.5
369.13425	0.4
447.25757	0.4
489.26959	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1039
Annotation	Kaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
59.01251	12.0
59.27940	0.2
63.02264	0.5
65.00195	0.5
71.13454	0.2
83.01263	0.4
85.36036	0.2
91.01775	0.4
93.03340	1.0
105.14019	0.2
107.01273	2.0
109.02818	0.5
117.03306	0.3
118.81385	0.2
131.68190	0.2
132.02025	1.5
135.00764	2.1
137.02339	0.3
143.04915	0.8
145.02887	0.3
151.00256	1.8
153.01859	0.7
154.04179	0.2
157.06485	0.6
158.03596	0.2
159.04382	1.2
160.14568	0.2
163.00270	2.5
164.01044	0.7
165.01817	0.2
167.04900	0.6
169.01408	0.4
169.06546	0.5
171.04390	0.6
173.05986	0.3
178.70042	0.2
182.03601	0.2
183.04480	1.2
185.02344	0.5
185.06038	1.8
187.03954	2.5
189.05466	1.0
190.99756	0.4
195.04433	0.6
197.05997	0.8
199.03926	1.3
200.04778	0.5
201.05438	0.5
209.00749	0.3
211.03958	2.8
212.04379	0.3
213.01871	0.4
213.05521	1.8
214.02544	0.3
227.03456	29.4
228.03839	2.0
229.05020	10.1
230.05397	0.7
239.03432	1.8
240.04218	0.6
241.05038	1.2
255.02966	63.3
256.03476	7.8
257.04544	6.1
258.04837	0.3
267.02878	0.9
269.04257	0.3
283.02417	0.7
284.03256	87.7
285.04004	100.0
286.04398	7.6
327.05219	0.5
371.61026	0.2
413.01105	0.2
447.09122	0.4
489.10370	29.3
490.10715	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	487.3429
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
54.10836	0.6
59.01246	0.7
60.93940	0.7
69.88071	3.3
71.04887	1.0
72.28681	0.5
78.95761	1.8
92.22794	0.5
98.20029	1.5
111.23920	0.5
186.44173	0.5
201.55511	0.5
291.13235	0.6
307.82687	0.6
354.98599	0.6
407.33249	2.7
425.34164	1.4
427.32294	2.0
443.35391	0.7
469.33224	15.0
469.39877	0.8
470.33490	2.0
487.34283	100.0
488.34604	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	489.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.5
57.47925	0.3
59.01248	3.2
64.62824	0.2
69.79922	1.7
71.01261	1.5
72.99153	0.3
73.02814	0.5
75.00759	0.3
83.01256	0.5
85.02828	2.4
93.03361	0.3
95.01276	0.3
99.00817	0.3
99.92461	7.8
100.92450	0.4
101.02300	0.5
101.42816	0.2
111.00755	0.7
113.02333	1.1
116.92745	100.0
117.01839	0.5
117.92756	5.0
125.02336	0.5
129.01880	0.8
137.02327	0.3
144.32945	0.3
165.09175	0.5
182.78093	0.2
205.03458	0.4
209.08206	1.2
227.03543	0.3
233.08231	0.4
255.02942	1.1
284.03348	1.9
285.04007	1.7
299.26035	0.4
310.78793	0.3
345.30005	1.6
371.13519	0.4
409.53857	0.2
489.10583	0.6
489.26648	0.9
489.34229	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.6
63.02260	0.3
64.47935	0.2
65.00206	0.5
69.36921	0.8
69.37341	1.3
83.01255	0.3
85.02830	0.3
87.86179	0.2
91.01791	0.3
92.79887	0.2
93.03346	1.1
106.03545	0.2
107.01272	1.7
109.02878	0.5
113.02322	0.4
125.02303	0.3
132.02042	1.1
135.00766	1.5
143.04938	1.1
151.00313	1.3
153.01875	0.5
157.06517	0.7
159.04456	0.6
161.02316	0.2
162.92929	0.2
163.00272	2.3
164.01024	0.5
165.01843	0.3
167.04863	0.4
169.06477	0.6
171.04359	0.4
173.06122	0.2
178.99750	0.3
183.04443	1.1
185.02341	0.4
185.06035	1.6
186.06314	0.2
187.03908	2.3
189.05482	0.9
190.99786	0.4
195.04497	0.7
197.06042	0.6
199.04080	1.2
200.04601	0.4
201.05501	0.5
211.03954	2.1
212.04634	0.5
213.05484	1.3
215.03409	0.4
227.03459	22.6
228.03850	1.4
229.05009	8.8
230.05380	0.5
239.03471	1.4
240.04196	0.7
241.05061	1.4
243.02980	0.4
255.02980	47.3
256.03516	5.4
257.04538	5.2
267.03024	0.7
268.03534	0.3
283.02460	1.4
284.03271	67.3
285.04022	100.0
286.04398	7.9
429.08322	2.4
430.08475	0.3
430.66180	0.2
447.09244	0.7
489.10370	24.2
490.10736	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	487.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.8
57.03319	1.2
58.00464	2.5
59.01251	73.3
61.98685	0.6
69.29941	3.9
69.30361	2.4
71.01254	59.8
72.01596	0.8
72.99204	3.4
73.02821	19.3
75.00739	0.8
83.01266	2.6
85.02823	8.9
87.00747	2.2
87.12521	0.6
89.02317	100.0
90.02635	1.2
95.01256	1.8
97.02827	0.8
98.20515	0.9
99.00092	0.6
99.00758	25.2
101.02324	42.2
102.02619	0.8
113.02326	12.3
115.03919	1.4
119.03410	8.5
119.05289	0.6
125.02312	4.8
131.03395	18.4
133.93944	0.6
139.20477	0.6
143.03387	3.1
149.04462	51.1
150.04788	1.1
161.04446	3.4
179.05554	2.5
191.05528	12.5
221.06522	1.0
233.06715	0.7
251.07750	2.6
366.01810	0.7
487.25479	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	487.3055
Annotation	CHEBI:70313
Peak:m/z	Relative Intensity
56.94432	1.1
59.01249	8.8
63.40174	1.2
71.01244	4.5
71.57816	1.9
87.82472	1.4
89.02316	2.9
101.02353	1.2
111.32935	1.1
113.02335	1.9
134.03690	1.3
147.04457	1.3
169.01321	1.4
340.44052	1.4
431.06314	1.3
444.77429	1.3
451.32828	3.3
487.30554	100.0
488.30899	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	487.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37397	0.6
53.52377	0.6
55.46717	0.6
57.03332	1.4
59.01253	100.0
60.01585	1.0
70.29473	2.7
71.01260	9.3
73.02818	3.8
75.00768	0.7
78.48217	0.6
83.01277	1.1
85.02827	7.6
86.03192	1.0
87.00768	1.9
89.02321	3.5
97.02859	1.5
98.02372	2.6
99.00755	1.3
99.01907	2.1
101.02324	5.3
113.02328	7.0
113.06016	0.7
119.03447	1.2
119.05031	0.7
125.02357	1.5
129.01797	0.7
135.04494	1.3
138.06786	2.1
139.07535	1.3
149.00903	0.7
151.07571	3.6
152.08348	8.8
153.09122	18.3
154.09514	1.1
161.04448	3.2
161.09723	0.9
165.05495	0.9
165.09166	0.8
179.03279	0.8
191.01901	0.7
199.48003	0.7
205.12257	7.9
206.12659	1.2
223.13347	4.4
251.34169	0.6
254.05896	1.3
259.49710	0.7
267.07132	0.7
269.08273	0.9
311.06058	0.8
311.09424	2.5
367.17596	23.7
368.18021	3.5
385.18698	3.9
427.19650	6.8
428.20224	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32557	0.8
51.46653	0.8
56.63057	0.7
57.03309	1.6
59.01256	8.0
69.55998	2.6
69.56429	4.1
71.01253	9.5
72.99184	4.5
73.02808	2.7
73.14122	0.9
75.00733	4.2
83.01245	1.2
84.96790	0.7
85.02823	8.7
87.00757	2.8
89.02317	4.1
93.23265	0.8
93.41506	0.7
93.52995	0.8
95.01263	1.3
98.20523	1.7
99.00734	4.7
100.00952	0.8
101.02327	3.6
103.00253	2.0
108.53493	0.7
109.02808	0.9
110.15266	0.7
111.00773	1.5
113.02339	10.1
119.04922	1.3
120.02042	0.8
121.02824	2.4
123.04363	1.1
123.75541	0.9
125.02336	2.8
129.01848	1.5
131.03384	1.7
133.02815	1.5
134.03635	72.5
135.03990	1.9
137.02357	9.4
139.03905	2.4
143.05917	0.8
145.02879	1.5
147.04442	1.2
149.05991	41.1
150.03163	1.7
150.04504	0.8
150.06311	1.5
153.01779	1.0
161.02184	0.9
169.01346	1.1
175.02437	1.8
175.03867	1.1
178.02643	35.3
178.99574	1.0
179.03172	1.9
191.01932	0.9
191.07068	1.5
193.03473	7.1
193.05002	67.9
194.05376	2.6
220.80484	0.8
235.04243	4.6
259.06158	2.4
287.05713	3.4
307.98087	1.0
337.07990	0.9
347.80276	0.8
355.09851	1.4
356.08920	1.0
411.11288	1.1
442.49554	0.8
487.14603	100.0
488.15067	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	486.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12532	0.6
57.15712	0.6
59.01249	9.1
61.98694	3.3
69.41004	4.9
69.41431	1.4
71.01254	4.7
73.02810	2.2
75.00747	0.6
75.57457	0.6
78.95790	0.9
82.06477	0.6
83.01253	1.1
85.02829	2.4
87.00727	0.7
89.02338	1.3
95.01244	0.8
97.00333	2.5
99.04403	1.0
101.02316	2.7
103.55311	0.6
108.04444	3.2
113.02329	2.0
115.08650	2.3
116.07062	56.3
117.07403	1.4
117.25646	0.7
125.02312	1.7
126.05523	2.2
129.01617	0.6
132.02875	0.7
141.06598	25.2
142.05011	5.3
154.07339	1.0
160.50943	0.6
161.04391	0.7
183.15036	1.1
185.16544	1.5
192.92159	0.6
194.11795	1.9
195.14973	0.9
211.14423	4.9
229.15521	1.6
254.15079	2.0
264.16864	0.9
267.15869	2.1
292.20273	1.0
292.52887	0.7
304.35727	0.7
310.21432	1.6
314.04282	0.7
354.20331	100.0
355.20609	8.5
366.16415	0.7
486.24979	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80484	0.6
56.73424	0.7
62.92773	0.6
67.31177	0.6
88.03916	56.0
89.04243	1.0
98.20671	1.5
110.41514	0.6
147.08034	2.0
149.09627	1.9
160.08813	0.8
161.09615	1.0
163.11156	3.5
184.49413	0.6
187.11206	1.8
279.13794	0.7
307.17117	1.1
309.22183	2.7
316.14163	0.7
337.21729	100.0
338.22070	10.7
406.62582	0.7
486.26840	10.8
486.33151	0.9
487.27194	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.9
57.03320	1.4
58.00431	0.5
59.01254	18.1
59.61021	0.4
61.98706	1.3
62.99368	0.4
68.45773	0.4
69.22558	0.4
71.00890	0.7
71.01255	9.3
71.59995	0.8
72.99170	1.1
73.02816	1.7
73.99525	0.4
75.00735	2.2
83.01260	1.0
85.02818	5.8
87.00751	1.3
88.03899	0.5
88.16411	0.4
89.02324	3.9
95.01279	0.8
99.00767	1.7
101.02344	3.7
109.02821	0.5
109.13392	0.5
111.00754	0.7
113.02345	4.4
119.03391	0.6
125.02316	1.6
129.01846	0.5
130.08636	100.0
131.09026	2.5
132.02940	0.7
137.02316	0.7
161.04445	0.6
161.09512	0.4
184.04988	0.4
190.21860	0.5
212.68481	0.4
251.23158	0.4
255.02930	0.8
264.28207	0.4
267.07028	0.5
283.02698	0.6
306.20776	1.4
343.28424	0.8
356.42944	0.5
361.18689	1.5
366.16782	0.6
417.99597	0.5
486.27142	88.2
486.71942	0.7
487.20639	0.6
487.27414	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	487.1248
Annotation	Glycitein 6''-O-acetylglucoside
Peak:m/z	Relative Intensity
52.01886	0.2
59.01250	1.4
69.60188	1.4
75.02303	0.2
75.25170	0.1
88.03954	0.4
107.44508	0.2
132.02063	5.7
133.02391	0.2
141.90347	0.2
148.01581	0.3
183.02908	0.6
183.04408	0.2
195.04431	0.8
196.05232	0.5
211.03920	1.6
212.04686	0.7
223.03952	2.9
224.04732	5.4
225.05128	0.4
239.00983	0.3
239.03450	4.4
240.04251	4.3
241.04630	0.3
251.03479	1.9
267.02994	17.1
268.03760	47.2
269.04111	3.3
276.79025	0.2
282.05386	0.4
283.06116	100.0
284.06461	7.6
332.31491	0.2
443.00797	0.2
486.26962	0.2
487.26932	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02667	0.6
59.01232	1.0
69.73967	1.2
69.74370	3.7
71.01240	1.5
73.49337	0.5
76.00979	0.6
76.37924	0.6
83.01257	1.9
85.02809	1.0
89.02328	0.9
93.03247	0.7
99.00751	1.2
101.02301	1.0
109.09467	0.6
111.00076	0.6
111.00751	4.0
111.90192	0.6
113.02379	0.8
121.02844	1.1
123.00818	1.0
125.02309	3.0
126.02652	1.0
129.01859	0.6
133.02861	2.1
134.03636	42.1
135.04216	1.1
137.02351	8.6
139.00293	3.4
139.03903	2.9
149.02371	0.8
149.05986	13.9
150.03104	0.8
154.99788	2.4
166.99745	3.9
167.03342	0.7
169.01363	3.4
170.12807	0.7
171.01808	0.7
178.02637	30.9
179.03302	2.6
185.00876	1.4
193.04996	100.0
194.05307	4.4
235.05981	0.6
270.88635	0.6
271.04688	1.0
313.05579	0.9
331.06564	1.0
347.06232	0.7
443.09793	1.0
487.09644	0.6
487.14612	14.2
488.14508	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	5.7
64.86383	0.7
69.57383	0.8
70.02860	0.9
71.01251	22.0
72.00772	0.8
88.03914	26.4
92.81454	0.9
98.20536	2.4
114.01851	13.5
115.00256	29.7
121.02819	2.1
132.02916	100.0
133.03285	1.6
145.02835	1.4
147.04442	6.6
148.05219	7.5
150.03133	1.6
155.02574	0.9
158.00871	4.3
162.03186	1.7
162.06755	1.5
174.03125	3.3
176.04662	3.4
180.04144	1.0
190.04979	1.2
191.05734	0.9
191.07089	9.8
194.05786	1.1
202.02806	1.0
205.34355	0.9
211.07541	1.0
221.06099	1.2
223.07597	2.8
237.05495	2.7
239.07094	7.3
249.05513	2.9
250.06245	1.3
251.07164	7.5
252.07751	1.1
262.06223	0.9
263.07111	2.4
264.07678	1.3
265.04956	2.4
267.06601	31.1
268.06985	4.2
277.04886	1.0
278.05658	1.3
279.06592	15.7
280.07050	2.1
282.08975	21.0
283.09515	4.1
293.04504	1.1
293.08127	2.5
294.05399	0.8
294.09048	9.4
294.29071	0.8
295.09573	0.9
297.11322	21.6
298.11514	1.7
306.07672	2.3
308.06723	1.5
309.07614	1.0
309.11169	2.8
310.07159	7.2
319.78992	0.9
320.09497	1.1
321.10156	1.0
322.07251	8.9
323.09076	6.4
324.08865	0.8
325.09494	4.9
326.10214	1.1
327.12317	3.6
336.08759	1.0
337.09543	3.7
338.10513	5.2
340.12006	3.8
341.10226	9.7
350.10153	1.3
350.14136	1.2
352.11838	7.3
353.10205	19.5
354.10815	1.8
371.11340	5.5
380.11093	1.0
392.11438	1.0
406.12878	1.3
409.11505	2.6
412.13980	4.5
424.14096	9.5
456.12994	18.7
457.13339	2.1
468.12756	3.9
486.14029	53.7
487.14154	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	486.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21886	1.4
52.49459	1.7
55.01771	1.5
57.03316	6.2
59.01252	100.0
59.59961	1.3
70.00061	1.4
71.01254	19.9
71.59516	1.9
72.99165	3.8
73.02820	3.1
78.95790	2.0
83.01236	2.8
85.02342	2.8
85.02824	39.7
86.03179	7.7
87.00738	3.6
89.02325	11.8
94.02896	1.9
95.01279	3.0
95.69395	1.2
96.95885	7.7
96.96844	3.4
97.02797	1.7
98.02355	63.8
99.00774	2.7
99.01876	5.4
101.02327	8.9
110.02374	2.4
111.00776	3.0
113.02310	10.3
119.03381	3.7
125.02314	4.7
127.07553	1.5
129.01845	2.6
133.01289	1.6
134.03598	2.0
135.04369	2.4
137.02332	2.1
138.06769	3.0
139.07573	3.7
147.02960	3.6
148.03180	1.4
151.07602	4.5
152.08295	8.4
153.09122	16.7
161.04463	3.8
179.05591	3.4
191.01855	8.9
192.02216	4.3
205.12233	7.9
209.02969	4.9
223.13252	2.8
228.13837	2.1
264.16016	6.2
267.06964	1.9
269.08243	1.6
311.09271	2.9
367.13461	2.4
367.17603	20.2
385.18491	2.8
427.19656	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	486.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20698	2.0
50.45180	2.2
54.13790	2.1
57.17690	1.7
58.17364	1.9
59.01252	71.7
71.01252	35.4
71.57752	2.7
73.02813	5.4
78.95765	3.1
84.04449	2.2
88.03915	7.1
89.02276	2.8
96.95869	3.9
96.96847	4.1
98.02349	16.3
99.41589	1.9
101.02316	5.0
107.60175	1.9
113.02324	3.8
114.01849	20.3
115.00260	39.7
121.02844	3.1
125.02319	3.0
132.02930	36.7
138.06775	5.4
139.07559	3.6
145.02818	2.6
147.04408	5.6
148.05190	5.8
151.07559	4.1
152.08310	5.0
153.09103	24.5
158.00885	3.6
161.04510	1.9
162.03024	1.9
165.09084	2.0
176.04611	3.0
191.07047	11.5
200.03415	2.2
205.12274	7.6
223.13403	7.0
235.07704	2.2
237.05647	2.9
239.07124	7.5
249.05479	2.6
251.03215	2.0
251.07106	17.9
252.07681	2.1
259.02148	2.0
263.07065	5.0
265.05118	2.7
267.06607	47.5
268.07053	4.2
278.05817	2.3
279.06586	38.2
280.07050	3.2
282.09015	34.4
283.09653	4.8
293.04550	2.4
293.07986	6.0
294.09009	25.4
297.11319	43.4
298.11584	3.8
306.07666	2.9
309.11307	11.1
310.07260	14.9
310.10797	4.0
320.09268	3.7
321.10135	2.5
322.07190	20.2
323.08197	7.3
325.09808	11.6
327.12427	10.0
336.08832	2.6
337.09656	6.7
338.10342	6.9
340.11859	6.7
341.10272	16.7
350.13828	3.1
352.11929	10.1
353.10269	37.9
354.10617	4.5
367.17474	7.1
371.11169	5.6
385.18881	2.6
398.18033	2.1
406.13022	4.4
409.11710	7.6
412.13995	11.6
424.14023	34.3
427.19568	3.8
456.12759	7.1
468.13104	3.4
486.14044	100.0
487.13983	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	486.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	3.8
61.30027	1.4
61.74703	1.6
69.36765	15.7
71.01261	32.4
73.30969	1.5
82.04797	1.5
85.02805	3.2
88.03919	8.1
93.20475	1.6
114.01868	18.2
115.00256	47.0
121.02847	3.2
132.02927	44.6
145.02777	2.6
147.04404	3.5
148.05203	4.8
158.00827	3.6
162.06697	2.0
176.04720	3.8
191.07114	20.5
209.06058	1.7
221.06125	2.7
223.07549	3.9
224.04613	1.8
225.05373	1.5
237.05476	3.2
239.07121	9.4
241.04993	2.0
249.05540	2.0
250.06235	1.7
251.07100	12.8
258.61563	1.5
263.07147	4.4
264.07764	2.0
265.04947	2.0
267.06610	48.0
268.07199	7.1
269.08127	1.7
277.08295	2.4
279.06622	40.8
280.07245	3.7
282.09015	44.9
283.09564	7.6
293.08057	5.3
294.09055	31.0
295.06128	2.4
295.09308	3.6
297.11328	46.3
298.11569	4.9
306.07794	3.3
309.07629	2.1
309.11197	11.2
310.07230	17.5
310.10654	3.5
320.09439	3.6
321.10071	3.0
322.07230	21.0
322.10706	3.1
323.08478	7.6
325.09537	11.4
327.12338	10.3
336.08691	2.4
337.09760	7.7
338.10715	8.2
340.11951	5.5
341.10309	16.2
342.10583	3.1
350.14270	1.9
352.11871	11.8
353.10184	45.2
354.10312	4.1
370.12900	2.0
371.11429	4.5
380.15506	2.3
392.11514	3.4
406.12927	6.8
409.11633	7.5
412.13904	6.7
413.13794	2.2
424.13965	35.2
425.14349	3.6
456.13034	8.1
457.13229	1.8
468.13138	5.0
486.14053	100.0
487.14319	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	484.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20831	0.7
57.03334	2.9
58.19736	0.6
59.01250	14.6
62.43882	0.6
68.01277	2.8
69.26130	2.1
69.26546	5.1
71.01250	8.4
72.99180	1.7
73.02824	0.7
75.00755	1.4
77.69537	0.5
78.95776	2.2
79.64513	0.7
83.01301	0.8
85.02822	17.8
87.00748	1.5
89.02309	6.6
93.39253	0.6
93.66035	0.6
94.02879	1.5
95.01266	1.1
95.33469	0.6
96.95894	19.5
96.96832	2.9
97.02846	0.8
98.02354	100.0
98.95461	1.4
99.00745	1.5
99.01885	5.9
99.02683	1.9
101.02339	3.9
103.14648	0.6
108.04459	1.3
110.02364	2.2
111.00742	1.3
113.02330	3.4
115.92005	0.8
117.06262	0.6
119.03400	2.2
122.02363	2.7
125.02380	3.4
129.01836	1.6
134.02417	1.0
137.02301	1.4
139.07542	1.8
140.03442	1.1
147.02907	2.4
151.07524	0.6
153.09119	0.9
161.04510	1.0
164.03442	0.9
165.09149	1.1
169.01309	1.8
179.05566	3.0
191.01892	6.9
191.09448	1.1
192.10184	0.8
205.12239	0.7
209.03036	5.0
223.13385	1.2
244.13280	3.1
262.14517	2.4
454.41849	0.6
484.21313	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2553
Annotation	Mesaconine
Peak:m/z	Relative Intensity
59.01253	12.4
71.00900	2.1
71.01258	23.4
72.01585	1.4
73.02811	3.5
78.95773	1.3
85.02811	3.5
88.03918	51.8
89.02309	4.1
97.06478	1.8
101.02328	5.3
109.06451	1.4
113.02320	3.0
114.01862	2.1
115.00259	20.7
116.92670	1.1
119.03387	2.6
123.08067	1.2
125.02329	2.2
125.09612	1.1
132.02927	49.3
137.09625	5.3
139.11188	13.4
149.09579	1.8
152.99467	2.1
155.10663	1.3
157.12251	1.6
167.10602	1.8
173.49860	1.1
176.04626	2.1
185.11722	10.7
201.11197	3.5
213.11281	5.2
215.12788	2.9
219.06627	1.9
241.14249	1.5
243.15942	3.1
289.21823	5.3
305.21054	1.6
307.22726	12.6
323.22336	1.2
325.23828	15.6
333.20590	9.1
351.21661	3.5
368.24396	35.1
369.22668	23.9
370.23022	2.6
378.26392	5.3
422.25323	2.7
440.26535	6.1
466.24286	4.4
467.14874	1.6
484.25464	100.0
485.16302	1.4
485.18765	1.4
485.25873	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	485.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01593	0.9
63.08138	0.6
69.36146	0.5
69.36439	5.7
83.45653	0.5
85.02808	0.7
86.58976	0.6
98.20502	1.1
98.54411	0.6
104.93726	0.5
108.02042	0.7
110.21200	0.6
171.98303	0.9
188.23193	0.7
194.33821	0.6
194.82539	0.8
203.39973	0.5
221.91721	0.6
295.29883	0.6
386.23483	0.6
485.15167	1.2
485.32999	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64503	1.1
57.03325	2.3
58.00469	3.7
59.01251	100.0
69.38540	9.5
71.01255	77.7
72.99182	6.9
73.02818	3.2
78.95786	4.9
81.03364	1.2
83.01270	3.1
83.14404	1.3
85.02829	13.7
85.34779	1.0
87.00753	3.2
87.13994	1.1
89.02319	92.9
95.01261	3.6
96.95899	3.4
98.20103	4.9
99.00751	1.5
101.02323	41.1
104.70421	1.1
113.02332	28.2
119.03387	34.6
121.02834	1.2
123.00827	1.7
123.04388	2.5
125.02325	6.7
128.69350	1.0
131.03406	5.1
131.04399	1.5
133.01341	1.8
143.03439	5.5
149.04495	3.0
152.99487	6.0
161.04472	5.3
167.03397	6.5
168.00583	1.3
169.01323	6.8
179.05536	7.4
211.02420	1.7
254.90541	1.3
271.04718	1.4
331.06693	4.8
374.66650	1.1
439.08868	2.0
483.23965	1.9
483.29922	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	483.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	4.8
57.03325	5.6
58.00468	2.6
59.01254	58.3
63.17844	1.1
69.03332	2.2
70.19614	1.1
70.69373	2.0
70.69741	2.4
71.01254	89.8
72.01588	2.1
72.99165	5.3
73.02820	22.6
75.00749	1.8
78.95778	4.1
83.01273	12.5
85.02821	39.3
86.03168	1.4
87.00740	2.8
88.70799	1.2
89.02316	40.5
95.01273	7.1
97.02873	2.1
98.20385	1.3
99.00758	9.4
100.41742	1.1
101.02325	69.8
107.01266	1.1
111.00774	2.8
113.02338	41.9
119.03386	24.5
121.02841	100.0
122.03181	4.6
125.02318	9.3
125.51671	1.0
129.01839	1.7
131.03412	2.5
143.03400	4.8
149.04428	1.5
151.00285	1.7
152.99472	6.9
159.02843	5.5
161.04474	25.9
167.03394	1.9
169.01337	7.3
179.05502	5.4
181.06488	3.7
203.67825	1.1
209.04541	1.4
225.05479	8.6
226.05879	1.6
265.04822	1.8
313.07257	16.4
316.75845	1.2
321.24146	1.7
331.06714	5.8
353.06500	1.8
357.06287	5.2
371.06088	3.7
379.04245	8.0
397.04300	1.6
401.08734	50.4
402.08981	7.8
413.06924	1.5
413.25409	5.0
439.04538	5.2
465.28290	2.6
483.23871	1.8
483.29639	25.8
484.29874	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1871
Annotation	Sachalinoside A
Peak:m/z	Relative Intensity
55.01762	1.6
57.03314	1.3
58.00467	1.2
59.01250	100.0
60.01585	1.3
67.56519	0.5
69.03343	1.0
70.91370	1.5
71.01254	46.3
72.01576	0.6
72.99194	1.9
73.02818	48.3
74.03178	0.6
75.00745	1.1
81.03342	0.9
83.01259	15.6
83.04925	0.5
85.02818	5.6
87.00771	2.5
88.03919	3.6
89.02312	12.4
89.02824	0.8
95.01275	1.7
97.02829	1.7
99.00770	1.3
99.04393	1.3
101.02322	41.0
102.02662	0.8
107.01324	0.7
107.04908	1.0
109.02824	8.1
109.06478	0.7
111.04421	0.9
113.02325	14.2
115.00256	1.5
119.03389	5.4
121.06477	1.5
122.03664	1.9
123.00764	0.9
123.04369	1.4
124.05189	2.3
125.02337	6.6
131.03362	2.8
132.02910	1.7
133.06500	14.1
134.06870	0.7
135.04407	0.9
135.08015	0.9
136.05180	1.0
137.05969	4.0
139.07541	11.3
140.07906	0.6
143.03409	3.5
145.06456	0.5
147.08128	0.6
149.04465	2.3
149.05927	3.0
150.06778	1.0
151.00287	1.1
151.07549	1.2
155.03380	1.0
157.10211	0.7
161.04462	8.9
163.07613	0.7
163.14114	0.5
165.05478	0.5
169.01360	5.0
169.08655	1.4
170.01608	0.8
179.05592	1.7
181.88403	0.5
187.11238	1.0
190.09940	0.7
199.11185	0.7
202.09891	1.2
203.05527	1.0
204.11552	1.6
205.12334	4.5
211.02393	1.4
217.12277	4.8
221.06554	0.6
235.13344	2.4
261.11267	1.1
271.04608	2.0
313.12958	8.5
314.97604	0.6
331.06689	2.5
331.13953	11.0
332.14215	0.9
368.61926	0.5
369.22803	0.6
372.14246	26.5
373.14868	7.3
375.58334	0.5
379.17902	1.0
380.18015	0.6
397.18698	1.9
404.13327	0.7
439.08771	1.3
439.19623	4.1
441.17703	1.0
447.14093	0.6
483.18726	41.1
484.18985	5.6
484.25720	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	483.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50524	4.4
59.01241	10.3
70.98401	12.9
71.01252	9.9
78.95777	92.7
96.95902	6.2
96.96809	5.2
101.02293	9.7
104.35421	4.8
108.05270	5.2
113.02370	11.0
125.02313	17.1
152.99498	100.0
169.01299	11.1
185.35640	5.4
331.06619	10.7
447.22360	37.4
483.23392	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.3
57.03321	5.2
58.00467	0.7
59.01253	8.1
69.03330	1.1
70.26380	2.4
71.01253	22.4
72.99173	4.8
73.02805	3.6
75.00746	23.2
83.01264	4.1
85.02822	30.2
87.00753	6.8
89.02328	2.1
95.01266	4.9
95.70374	0.6
97.02838	1.4
99.00757	9.1
101.02325	6.8
103.00238	0.7
107.01256	2.7
108.02059	1.2
111.00775	2.9
111.67128	0.5
112.01565	0.6
113.02328	25.0
114.02657	0.6
115.00247	2.5
116.01023	0.6
117.01807	1.7
123.00766	3.1
124.01541	2.6
125.02338	19.3
126.02684	0.6
129.01846	1.1
135.04382	0.7
136.91304	0.6
137.02353	0.8
139.00273	4.2
140.01057	1.3
141.01871	1.0
149.99510	2.8
151.00256	2.0
152.01079	1.3
153.01768	1.1
154.02586	1.7
155.03383	0.7
157.01340	1.0
159.02890	0.6
161.04485	1.1
166.99754	2.2
168.00546	6.9
169.01344	11.0
170.01530	0.7
175.02362	3.5
179.33543	0.6
183.02927	1.1
191.01900	0.9
193.01418	1.0
209.02939	0.9
249.04143	0.6
287.07629	1.2
297.05746	0.6
307.17548	1.9
313.05658	2.3
315.07138	1.6
327.07187	1.1
331.06641	9.3
332.07034	1.1
439.08780	4.8
465.08820	0.8
483.07401	6.1
483.09689	4.8
483.20810	100.0
484.08057	0.7
484.21204	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	483.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	35.3
59.21762	3.7
70.16910	16.6
71.01264	8.2
71.73135	3.8
72.99158	6.0
75.00743	61.5
78.60269	3.6
88.53417	3.5
89.02306	5.7
98.20477	4.2
106.05505	4.0
109.65337	4.0
121.10098	19.8
125.02316	17.9
135.02896	71.3
137.58861	3.7
161.61845	3.8
169.01341	17.2
171.10191	56.9
177.58875	3.8
275.20184	100.0
276.20422	6.6
282.55157	3.8
289.14496	26.4
292.90802	4.6
293.21255	87.1
294.21603	11.3
331.06763	6.7
388.73730	4.1
416.72134	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	483.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	5.1
59.01247	39.8
61.98702	8.2
71.01256	40.4
71.23981	6.8
73.02824	10.3
75.00741	7.9
78.91779	3.3
78.95777	83.7
81.03339	3.7
83.01265	5.0
85.02838	21.1
87.00789	5.2
89.02332	13.1
96.95894	3.5
96.96842	7.4
97.02826	3.7
98.20176	4.7
99.00770	6.6
99.39781	3.2
101.02310	26.8
113.02335	19.4
119.03387	3.8
123.00800	3.1
125.02325	23.9
128.03410	7.6
129.01901	3.7
143.04533	6.3
152.99484	100.0
161.04485	10.2
167.03249	3.3
169.01315	13.2
179.10921	3.7
195.06552	8.2
209.08043	3.5
210.08510	3.6
251.09273	6.1
254.07674	5.7
272.09113	3.9
291.18167	19.1
306.07693	8.6
363.14441	15.2
393.15482	5.5
423.22333	66.1
424.22675	8.1
439.09186	7.7
447.21786	5.1
483.08301	4.3
483.23819	52.0
484.24213	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	483.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94003	0.3
51.46431	0.3
69.94386	1.7
78.95777	8.1
96.96841	0.5
142.31497	0.3
152.99486	14.3
168.54984	0.3
171.00505	0.8
227.03232	2.9
237.22025	0.3
245.04301	1.2
255.23270	100.0
256.23615	8.0
362.19489	0.3
373.23459	0.3
483.27258	22.3
484.27505	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	483.2729
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
55.42011	0.4
68.27058	0.4
70.71845	1.4
78.95779	19.3
84.12868	0.4
96.96842	1.8
102.67078	0.4
125.02348	0.9
150.97914	0.6
152.99492	30.2
153.99640	0.5
171.00537	1.5
227.03215	4.4
245.04297	1.1
255.23273	100.0
256.23611	8.0
331.06741	0.5
391.22507	0.7
483.27280	44.7
484.27551	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	483.273
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77033	0.5
70.09904	2.3
77.75397	0.4
78.95776	18.4
80.10410	0.5
96.96812	1.5
112.32567	0.5
152.99495	31.8
169.01295	0.7
171.00587	1.4
227.03175	5.2
245.04373	0.8
255.23273	100.0
256.23618	8.3
273.76212	0.6
372.11389	0.6
483.27304	50.5
484.27765	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	483.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65942	0.8
55.01756	7.6
57.03324	15.5
58.00452	2.6
59.01253	56.8
62.82100	0.8
69.03312	3.9
71.01254	100.0
72.01599	1.3
72.99181	4.7
73.02817	24.5
75.00745	1.8
78.95777	2.7
83.01261	12.9
85.02824	41.3
85.99931	1.0
87.00745	4.9
89.02319	44.7
90.02644	1.1
93.03403	0.8
95.01267	6.9
96.96778	0.9
97.02837	2.4
98.04507	0.8
99.00756	12.4
101.02324	79.9
102.02650	1.2
111.00744	2.2
113.02332	45.8
114.02706	1.0
119.03386	23.1
125.02357	6.1
129.01843	1.0
131.03392	2.0
143.03426	6.7
144.95804	0.8
149.04475	1.8
152.99559	3.8
159.02910	7.4
161.04472	37.5
168.41090	0.7
169.01353	4.0
179.05428	2.3
204.79317	0.7
205.03427	2.2
209.15219	0.9
217.22391	0.9
222.64737	0.9
331.06686	4.1
371.20773	20.5
372.20886	1.8
413.25488	8.1
414.25778	1.2
430.55313	1.0
439.08975	0.9
465.28506	1.0
483.29721	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	483.0783
Annotation	1-O,6-O-Digalloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.69164	1.5
55.01752	2.2
57.03306	2.3
59.01251	9.2
59.22673	1.4
67.01755	5.4
67.56499	1.5
69.03332	1.8
69.78462	9.6
71.01256	19.9
72.25880	1.3
72.99175	2.3
73.02805	3.6
75.00748	14.2
83.01266	7.6
85.02831	24.6
87.00756	4.4
89.02293	3.0
93.03316	1.5
95.01265	8.8
97.02827	3.2
99.00784	4.7
101.02325	5.7
103.34789	1.4
106.77772	1.4
107.01294	3.2
108.02059	33.1
109.02851	15.1
111.00774	43.1
113.02339	17.9
115.00283	2.1
123.00763	26.4
124.01570	24.5
125.02344	39.5
126.02663	1.8
137.02330	2.5
139.00276	62.5
139.01360	3.4
139.03926	2.3
140.00992	1.9
149.99539	2.5
151.00294	8.9
151.03934	2.4
152.01054	39.0
153.01849	18.1
163.03926	2.2
165.01854	1.4
166.99780	100.0
168.00571	54.0
169.01328	33.9
170.01709	1.9
175.02277	1.6
179.03381	1.6
185.00841	21.3
189.04950	1.4
191.01942	2.5
193.98485	5.1
197.69933	1.6
211.02374	6.5
233.04663	1.7
271.04620	6.0
313.05716	8.7
315.07236	70.8
316.07544	3.3
331.06750	9.2
345.09290	1.5
422.04700	1.5
439.08728	22.9
440.09100	2.3
465.06796	5.4
483.07782	92.7
483.20792	46.8
483.27896	3.3
484.08182	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	483.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07162	0.2
55.01743	0.4
57.03321	0.4
58.00474	0.3
59.01251	18.9
69.03322	0.3
69.42895	0.7
69.43317	1.0
71.01253	10.4
72.99181	0.5
73.02821	4.4
75.00753	0.3
77.38794	0.2
79.63958	0.2
81.03343	0.2
83.01254	1.3
85.02818	5.0
85.99942	0.3
87.00757	1.9
87.04395	0.5
89.02308	1.6
95.01281	0.7
97.02837	0.3
98.20580	0.4
99.00743	1.1
101.02325	6.4
103.03883	0.9
106.04138	0.4
111.00746	0.2
113.02332	5.7
115.03893	0.8
119.03405	0.5
123.00781	0.3
123.04406	0.8
125.02332	1.9
131.03415	1.2
131.04932	0.8
132.05708	1.9
133.06490	100.0
134.06818	4.8
143.03403	2.8
145.04953	0.3
159.02893	0.6
161.04466	9.8
162.04817	0.4
163.03867	0.2
163.06058	0.6
169.01318	1.1
203.05534	0.5
205.03587	0.2
205.07092	2.0
211.02521	0.3
217.08621	0.3
294.38605	0.2
295.11868	2.9
296.12198	0.4
299.55878	0.2
307.10526	0.4
318.81381	0.2
331.06699	0.5
337.12930	0.6
439.08511	0.3
441.17645	20.8
442.17999	3.1
483.18616	4.1
483.24957	0.3
484.18881	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.078
Annotation	1-O,6-O-Digalloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.62512	0.4
57.07379	0.5
58.64346	0.5
59.01256	0.7
69.03362	1.7
69.94298	1.5
69.94714	1.2
71.01292	1.4
73.02862	0.5
75.00766	0.8
81.03352	0.7
83.01296	0.6
85.02837	1.0
88.03960	1.5
93.32003	0.4
95.01293	1.2
97.02859	2.1
98.19843	0.6
107.01295	3.4
111.00790	1.1
112.98658	1.1
113.32616	0.4
121.93958	0.5
123.00764	3.7
124.01567	5.9
125.02338	100.0
126.02652	2.6
132.02946	0.6
139.00281	1.0
140.01030	0.8
141.49298	0.4
145.01292	2.1
149.99490	5.1
151.00304	2.3
157.08481	0.5
165.01776	0.6
166.99757	0.8
168.00566	13.7
169.01338	70.8
170.01651	1.7
174.03995	1.5
188.78645	0.5
194.99274	0.8
209.02904	0.7
211.02377	0.8
223.04689	0.5
271.04675	1.1
287.04736	1.0
287.07715	13.9
288.07846	0.8
313.05634	7.6
314.05783	0.5
331.06702	35.4
332.06796	2.1
350.89835	0.5
391.06778	0.5
439.08807	34.1
439.14694	1.1
440.09329	2.8
451.08710	0.7
465.06271	1.7
469.75064	0.5
483.07202	16.0
484.07501	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0779
Annotation	1,3-Di-O-galloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
55.05806	1.5
59.20296	1.4
59.25742	1.3
63.58028	1.1
64.52252	1.4
69.16349	1.4
74.63785	1.5
75.04401	1.5
88.83832	1.2
107.01241	1.8
123.00767	2.2
124.01601	1.9
125.02341	85.5
151.00334	2.2
168.00523	5.3
169.01343	100.0
170.01669	3.9
170.09468	1.4
271.04434	1.7
286.19376	1.4
287.07745	26.1
288.08005	1.6
313.05664	14.9
331.06705	41.0
332.06891	1.8
347.11591	1.7
352.19769	1.3
439.08804	57.1
440.09012	6.0
483.07986	9.5
484.08304	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.6
69.03339	2.5
69.72804	3.0
71.01252	1.5
72.99172	0.4
73.02785	0.4
75.00761	0.8
77.48099	0.4
80.81942	0.4
81.03330	1.0
83.01263	1.1
85.02839	1.4
95.01273	1.8
97.02833	1.7
97.40868	0.4
98.19854	0.5
101.02345	0.4
107.01270	4.9
108.02081	0.5
109.02863	0.6
111.00793	1.4
113.02335	1.1
123.00766	8.0
124.00644	1.0
124.01557	18.6
125.02340	68.3
126.02685	1.6
127.00330	0.4
137.02328	1.4
139.00311	1.1
140.01041	1.3
141.01846	0.7
149.99496	28.7
151.00298	5.0
153.01823	0.6
157.44365	0.4
162.75667	0.4
166.99780	0.9
167.03409	1.8
168.00563	62.9
169.01337	23.8
170.01660	1.0
179.03351	0.4
183.65327	0.4
193.01329	0.9
193.98438	0.8
194.99307	3.0
211.02402	1.8
234.43864	0.5
271.04526	1.1
287.07834	1.7
313.05664	12.1
314.05835	0.6
324.53165	0.4
331.06708	76.2
332.06995	5.1
439.08829	15.5
440.09158	1.6
465.06705	1.6
483.07794	100.0
484.08136	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	483.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99616	0.5
57.03323	0.9
59.01263	2.6
67.01756	0.5
68.99727	0.6
69.03334	2.0
71.01249	3.8
72.99177	0.8
73.02831	1.4
73.08935	0.5
74.65056	0.5
75.00746	5.6
77.01163	0.5
81.03320	0.8
83.01266	0.9
85.02827	5.5
87.00753	1.1
88.86326	0.7
89.02327	1.0
90.52810	0.5
93.03342	0.7
93.36698	0.5
95.01271	2.4
97.02829	2.1
97.11066	0.6
98.20541	1.7
99.00788	1.1
101.02327	2.3
107.01270	3.1
108.02065	1.2
109.02847	0.9
111.00780	2.3
113.02351	2.9
119.03382	0.6
123.00779	6.4
124.01555	6.8
125.02338	86.3
126.02673	1.6
137.02342	1.8
139.00255	2.7
140.01007	1.0
141.01869	1.0
149.99513	7.5
151.00299	3.7
152.00993	1.7
153.01825	1.1
161.02409	0.7
165.01793	0.6
166.99779	3.0
167.03358	0.8
168.00563	18.4
169.01338	100.0
170.01694	3.6
179.03450	0.8
191.01874	1.0
194.99324	0.8
203.30646	0.5
209.02979	1.0
211.02457	1.3
271.04614	0.6
287.07910	1.1
313.05649	33.6
314.06015	2.4
315.07224	2.2
331.06702	26.7
332.06979	1.7
439.08987	6.2
440.09280	0.8
482.19232	1.1
483.07761	49.5
483.20956	7.9
483.27679	1.0
484.08133	5.8
484.20505	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0779
Annotation	1-O,6-O-Digalloyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.34717	0.7
59.00984	0.8
59.01247	11.9
61.23701	0.7
70.34299	2.9
71.01250	6.8
75.60344	0.7
85.02805	1.3
86.29218	0.8
89.02315	4.5
95.01263	1.9
97.77438	0.6
98.20470	1.0
101.02289	3.7
107.01257	2.2
113.02323	2.1
119.03371	2.2
123.00771	12.3
125.02332	14.0
128.12872	0.7
137.49365	0.7
139.00252	2.2
140.01025	0.9
141.01833	2.5
151.00281	11.6
168.00510	2.2
169.01340	33.5
169.02795	1.6
170.01707	0.9
193.01338	1.0
211.02428	10.5
212.02751	0.8
246.95430	0.9
271.04581	7.5
331.06683	100.0
332.07010	7.3
505.09329	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
61.47768	5.1
66.53210	4.9
68.52420	5.3
69.45223	6.8
69.45615	43.6
94.82212	5.5
94.94403	5.2
98.20573	8.8
103.11794	5.6
107.01259	6.0
121.02847	5.9
125.02336	27.5
151.00256	18.1
169.01321	19.7
178.99858	7.7
193.55272	5.5
208.89842	6.4
243.02954	10.6
255.02983	26.1
271.02408	34.1
300.02676	82.7
300.99908	14.2
301.03476	63.8
302.00299	6.4
331.06628	9.2
447.09317	100.0
448.09723	13.3
484.25772	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	481.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	7.1
57.03326	19.6
58.00461	2.5
58.39481	1.9
59.01255	71.1
61.98687	1.8
63.26271	1.6
67.35672	1.9
68.99712	2.3
69.03333	3.7
69.34377	15.0
70.07225	1.6
71.01254	69.9
72.99177	9.4
73.02816	19.4
75.00751	5.8
78.41430	1.6
78.95779	15.5
81.03348	7.5
81.44808	1.9
83.01264	14.1
85.02824	100.0
87.00774	5.3
89.02317	30.3
91.53174	2.0
93.03335	2.1
95.01286	5.7
97.02853	2.7
98.19970	7.3
99.00742	11.7
101.02334	37.5
104.47580	2.0
109.02784	4.2
111.00771	21.0
113.02339	27.0
119.03419	4.7
119.04971	2.2
119.89226	1.7
125.02325	30.6
126.02667	2.0
129.01822	29.3
131.03429	14.6
133.02795	2.8
134.03685	2.8
137.02364	2.8
143.03400	7.1
147.98715	1.9
149.02225	2.3
149.04503	10.8
152.99472	27.4
161.04504	15.5
169.01421	2.4
179.03384	2.0
191.05531	2.2
198.25325	1.9
205.03453	27.0
223.04399	3.9
233.06641	4.1
253.05005	3.5
255.02898	2.9
269.04425	2.3
285.07599	2.7
289.07254	4.3
289.16568	25.7
297.04016	7.6
312.87613	2.2
320.94815	2.2
421.20798	83.7
422.21082	7.3
481.22781	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	481.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79325	0.9
78.95313	2.1
78.95776	44.4
81.10434	1.0
91.09999	0.9
96.96835	2.8
98.19744	1.5
125.03388	0.8
144.07031	0.8
152.99492	58.8
167.82381	0.8
170.99199	1.4
171.00560	17.4
202.76295	0.9
227.03229	3.8
245.04291	100.0
246.04642	3.5
253.21710	63.3
254.21980	4.5
350.79752	0.8
481.15436	1.8
481.25659	33.0
482.26038	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	481.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.4
57.03325	5.1
59.01252	12.1
68.99664	0.7
69.03316	0.8
69.39846	4.7
70.77190	0.5
71.01255	24.6
72.01597	0.6
72.07783	0.4
72.99178	4.4
73.02824	4.6
75.00748	30.2
78.95779	1.2
83.01266	3.8
85.02825	32.2
85.99953	0.7
87.00758	8.0
89.02313	2.7
95.01267	3.3
97.02819	1.2
99.00752	9.9
101.02328	6.9
103.00253	1.0
111.00764	1.5
112.01534	1.7
113.02335	30.6
114.02671	0.6
115.00247	2.4
116.01013	0.5
117.01830	1.4
125.02326	1.3
129.01804	1.0
139.00269	0.7
143.03403	0.5
152.99463	2.0
157.01326	0.9
161.04468	1.8
173.04407	0.7
175.02429	4.2
305.19614	2.4
344.54059	0.5
421.21399	0.7
463.21686	0.7
481.22900	100.0
482.23236	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	481.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56760	0.7
52.77360	0.9
76.05342	0.7
78.95776	43.0
96.35965	0.8
96.96844	3.2
103.35874	0.8
108.54757	0.8
146.57678	0.9
152.65115	0.8
152.99492	62.1
153.99834	1.0
171.00558	18.8
227.03191	2.9
245.04300	100.0
246.04694	2.2
253.21707	63.5
254.22084	4.4
481.25717	31.1
482.25955	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	481.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	2.2
57.03326	5.1
58.00465	0.4
59.01254	10.4
66.67443	0.3
67.01743	0.4
68.99683	0.7
69.03328	0.6
69.38907	3.6
71.01256	19.8
72.01598	0.4
72.98815	0.5
72.99187	3.8
73.02816	3.3
75.00748	24.6
81.03343	0.5
83.01254	3.2
83.68891	0.4
84.02061	0.5
85.02824	31.5
86.03180	0.7
87.00749	6.5
89.02326	2.1
95.01263	3.5
97.02836	0.7
98.19801	0.6
99.00761	8.9
101.02322	6.0
111.00781	1.2
112.01529	0.8
113.02335	27.0
114.02670	0.5
115.00253	2.8
117.01824	1.7
120.93427	0.3
122.33893	0.4
124.15390	0.4
125.02345	1.6
129.01828	2.3
137.02390	0.4
157.01346	1.2
159.02829	0.6
161.04488	1.6
175.02409	3.0
179.35399	0.4
205.03496	1.9
223.04483	0.5
243.54247	0.4
249.30640	0.3
305.19656	2.8
353.12891	0.4
363.20267	0.6
421.20844	0.7
463.21835	0.5
481.22900	100.0
482.23203	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	481.193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.7
57.03327	6.4
58.00465	0.8
59.01250	12.0
65.00205	0.8
67.01755	0.6
68.99699	1.0
69.03329	1.6
69.30972	0.5
69.44032	2.5
69.44462	2.9
71.01255	32.6
71.04891	0.9
72.94846	0.6
72.99172	5.9
73.02817	3.7
75.00748	32.6
77.92793	0.6
83.01257	6.4
84.02049	0.7
85.02824	35.4
86.03165	0.8
87.00753	9.1
89.02306	4.6
93.03321	0.6
95.01259	6.8
97.02834	1.7
99.00751	11.5
101.02314	8.1
103.00249	0.9
106.17329	0.5
109.02864	1.4
111.00758	3.9
113.02332	32.3
114.14068	0.6
115.00257	2.8
117.01816	2.8
121.02795	1.5
123.00756	5.6
123.04420	1.5
125.02338	7.2
129.01807	1.7
137.02348	2.6
139.00259	3.4
139.03911	1.7
140.01050	0.8
141.01828	2.6
143.10690	1.5
149.02380	1.1
149.04497	1.4
151.00244	1.7
151.03865	0.7
152.01059	1.4
153.01878	3.0
157.01340	1.7
161.04448	2.2
165.01820	1.8
166.99779	2.5
168.00526	2.2
169.01340	5.4
175.00577	0.6
175.02335	2.9
178.99823	0.9
191.03375	0.7
193.01346	1.5
194.99220	1.1
195.02811	0.7
219.02934	0.6
275.02029	0.9
301.03445	1.1
305.15991	1.7
313.05667	1.6
315.07263	0.8
319.04565	4.4
359.17542	0.6
421.16675	0.6
437.06909	1.1
453.10239	0.8
463.08548	1.9
481.19247	100.0
482.19629	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	481.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03648	1.1
59.01242	3.6
64.77027	1.3
65.03822	12.1
71.57656	2.9
78.95775	5.6
91.01778	18.0
91.05396	2.7
107.01254	2.0
107.04907	23.0
108.02052	3.8
109.02128	2.3
109.02833	29.5
112.53681	1.3
121.02799	1.4
122.03628	7.3
130.44164	1.2
133.02881	1.9
134.03673	1.7
135.00766	20.1
135.04416	47.1
135.05435	2.8
136.01579	3.1
136.04742	2.3
149.02310	2.6
150.03142	20.1
151.03918	100.0
152.04222	5.6
152.99466	6.0
153.01848	38.1
154.02075	1.7
154.99759	1.4
161.02328	13.0
163.03900	3.7
165.05487	14.7
168.50064	1.3
175.03850	3.8
176.04677	4.1
179.03409	7.2
179.07036	2.2
194.05801	7.1
209.08127	6.4
235.90428	1.4
271.06104	79.1
272.06726	13.3
273.07547	2.1
285.07687	4.3
287.09256	8.2
450.51172	1.4
451.13934	13.3
452.14227	1.8
463.13852	12.3
464.13992	1.5
472.60406	1.5
481.15045	13.8
482.15466	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.9
55.53651	0.8
56.18976	0.8
57.03330	5.5
59.01251	11.9
59.46861	0.8
63.34549	0.8
65.00174	1.0
67.01771	1.0
68.99675	1.3
69.30309	2.8
69.30733	6.8
71.01257	28.5
72.99184	5.7
73.02808	5.3
75.00745	25.0
82.01991	0.7
83.01260	4.0
85.02822	34.5
87.00744	7.4
89.02325	5.3
94.71681	0.9
95.01254	7.6
97.02835	1.9
99.00762	11.0
101.02332	7.3
103.00243	1.1
108.02037	1.8
109.02844	2.8
111.00760	3.1
113.02334	31.4
114.02663	1.0
115.00243	2.2
117.01830	2.0
121.02849	3.0
122.03670	1.4
123.00784	7.6
123.04408	1.7
125.02360	10.3
129.01819	2.0
137.02345	4.9
139.00270	2.7
139.03905	2.9
140.01141	1.5
141.01833	2.9
143.10590	1.1
149.02318	1.3
149.04443	1.9
151.00258	2.3
152.01006	1.2
153.01828	2.9
157.01285	1.9
158.18257	0.8
161.04465	2.2
163.03984	0.9
165.01865	6.6
166.99759	3.0
167.03392	1.3
168.00514	2.8
169.01308	9.0
170.22879	0.8
175.02414	3.2
176.03418	0.9
178.99837	1.5
301.03656	1.6
301.11890	1.0
305.16083	1.4
313.05621	2.0
319.04562	4.7
319.08047	1.7
349.09030	0.8
437.11255	6.1
463.08832	4.0
481.08786	3.3
481.10162	3.2
481.19269	100.0
482.19647	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	481.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.7
57.03325	7.0
58.00467	1.7
59.01252	27.5
67.01762	1.4
68.18488	0.7
68.99683	3.2
69.03320	3.3
69.66065	4.0
69.66470	1.6
71.01254	37.0
71.04890	0.9
72.99186	27.5
73.02823	8.3
75.00752	30.5
75.01191	1.4
81.01899	0.8
81.03329	1.4
83.01260	7.4
85.02826	45.6
87.00751	9.7
89.02316	13.0
92.54946	0.7
93.03323	0.8
95.01273	8.1
97.02831	7.3
99.00758	8.9
101.02315	10.5
103.00243	10.6
107.01269	1.0
108.02052	1.5
109.02829	3.4
109.52473	0.8
111.00757	2.6
113.02334	51.8
114.02695	1.0
115.00247	1.7
115.03899	0.8
117.01793	2.5
119.03401	0.8
119.04891	1.3
121.02848	1.4
123.00753	2.7
125.02345	7.4
129.01845	5.1
131.03394	8.6
133.01311	2.5
135.04408	1.6
137.02307	2.2
139.00197	1.0
139.03903	3.5
149.04376	1.0
151.00253	1.8
151.03886	0.9
152.01057	2.3
153.01831	3.8
153.05600	0.8
157.01343	3.2
161.04482	0.9
163.02460	1.3
165.01816	3.0
166.99783	1.6
167.03400	1.7
168.00586	0.9
169.01346	7.4
173.04451	1.7
175.02419	7.9
178.99750	1.4
183.02904	1.6
193.03467	100.0
194.03777	3.3
205.03412	2.1
209.03027	1.2
217.03423	1.3
223.04546	1.1
226.02568	1.4
226.28882	0.8
235.04565	41.2
236.04861	1.5
255.03082	1.2
257.04443	1.0
267.07355	1.4
283.02429	1.2
301.07108	2.4
337.07761	44.6
338.07959	2.7
355.08862	15.8
481.09534	1.4
481.12247	0.9
481.19431	20.1
481.26318	1.9
482.19437	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	481.1142
Annotation	CHEBI:70258
Peak:m/z	Relative Intensity
50.38794	0.9
50.90606	1.0
55.01761	2.4
57.03326	19.6
59.01256	18.9
63.12267	0.9
68.91823	1.0
71.01260	13.1
72.99194	5.6
73.02825	5.0
75.00742	4.4
81.03339	4.5
83.01256	9.8
85.02824	40.4
86.03175	1.2
87.00768	2.1
89.02313	7.4
93.03326	1.2
95.01264	2.2
95.04919	1.9
97.02844	2.1
97.06480	2.4
99.00743	3.8
101.02318	9.9
105.03343	4.3
109.02821	4.7
111.00774	9.6
113.02325	3.6
119.03358	1.8
121.02820	2.8
121.06485	0.9
123.00765	1.9
123.04369	1.2
124.01512	2.1
125.02343	100.0
126.02688	2.4
129.01840	12.2
132.02118	2.4
133.02844	2.0
134.03619	10.3
135.04414	3.0
137.02364	20.0
138.03014	1.3
139.03931	5.9
143.03392	1.8
147.04395	2.5
149.02341	1.8
149.04472	0.9
149.05981	5.0
159.04439	3.3
160.01556	6.7
161.02350	30.2
161.04469	2.6
161.05991	2.1
162.02922	1.9
163.03894	1.2
164.01045	1.9
165.01865	15.1
167.03445	7.5
168.02943	1.4
171.04507	1.1
173.05966	1.4
174.03061	1.6
175.03929	8.0
175.07541	2.8
175.21333	1.0
177.01881	2.7
177.05473	4.8
178.02585	3.1
179.03415	5.6
186.06757	2.4
187.07596	2.3
189.05524	2.9
193.04997	8.5
201.05542	1.8
203.03462	1.4
203.07062	4.1
204.07805	4.9
205.03455	13.7
217.01324	1.1
219.06519	3.2
221.04483	1.9
223.04585	9.3
231.10100	1.2
232.70782	1.1
248.10434	3.0
249.14783	1.8
259.13361	3.2
261.07727	1.2
269.04498	2.1
275.09390	1.8
277.14481	12.0
287.05545	2.5
299.09348	1.1
305.06686	28.1
305.10181	1.5
306.06894	1.2
311.09076	2.1
315.08728	4.1
319.15387	1.8
365.04404	1.1
390.76743	1.1
392.14581	1.8
410.15909	4.9
411.19339	1.1
421.18591	12.0
439.19751	44.3
440.20016	2.7
481.11197	2.1
481.20734	21.6
482.21017	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1354
Annotation	Buddlejoside B
Peak:m/z	Relative Intensity
51.15763	1.5
55.01755	1.8
57.03327	5.6
59.01250	27.9
65.03831	3.0
67.01760	2.6
69.03321	4.3
71.01256	26.6
71.33515	2.4
72.99190	16.4
73.02828	6.2
75.00749	22.2
81.03339	2.9
83.01270	3.8
85.02826	41.1
87.00754	8.9
89.02330	13.3
91.50610	1.8
93.03346	3.8
95.01274	5.9
95.78024	1.6
97.02840	5.1
99.00787	6.4
101.02319	12.0
103.00247	5.4
107.01289	4.9
108.02066	7.1
109.02839	13.6
111.00771	8.8
113.02328	32.4
119.03394	2.4
119.04960	3.3
121.02843	21.5
122.14451	1.7
123.00761	17.5
124.01546	3.9
125.02348	25.0
129.01816	8.8
131.03430	4.3
135.04384	2.2
137.02354	16.7
138.03116	7.3
139.00252	3.5
139.03923	3.8
143.03400	2.0
148.01579	3.5
149.02350	2.5
151.00293	7.3
152.01036	5.3
152.04704	5.7
153.01917	8.6
153.05478	7.2
163.02524	2.3
163.03947	4.6
165.01837	18.5
165.03990	3.2
166.99832	2.3
167.03462	3.9
167.07077	4.4
168.00560	2.8
169.01369	20.8
175.02394	6.2
175.03789	1.7
178.99719	2.6
179.03358	1.7
183.02925	6.5
187.03934	2.8
193.03479	55.6
194.01974	2.4
195.06561	1.7
199.03940	4.3
205.03496	7.3
209.04517	5.1
215.03540	2.3
223.04605	5.8
226.02687	23.5
227.03421	15.5
228.04195	3.1
235.04582	19.4
241.05118	17.5
242.05519	2.0
243.02954	10.4
244.03679	8.3
255.02931	13.1
258.05389	2.6
259.06116	24.7
269.04422	2.1
271.02441	15.8
272.03256	7.3
273.07767	10.5
285.03958	2.4
286.04877	7.2
287.05704	8.2
301.03836	5.2
301.07153	100.0
302.07501	7.4
313.05511	8.1
315.07382	2.1
319.08221	21.8
320.08679	2.0
337.07782	22.6
355.08859	6.7
463.12622	11.5
481.13370	32.4
481.19556	11.4
481.29944	5.2
482.13531	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	481.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99397	1.0
57.03325	7.9
59.01249	10.2
63.02287	1.2
65.00187	1.5
70.22005	1.2
71.01235	5.1
71.13400	1.2
71.13741	1.8
72.99188	3.6
73.02825	1.5
73.36634	1.0
75.00735	7.6
81.03331	3.0
83.01263	5.1
85.02824	21.1
87.00784	1.6
89.02324	2.3
93.03325	1.1
95.01267	2.2
99.00762	2.3
101.02332	3.7
107.01308	5.0
108.02061	3.6
108.04467	1.7
109.02840	8.0
111.00767	6.9
113.02338	3.5
121.02860	4.1
123.00744	5.9
123.04436	1.1
124.01572	4.7
124.07606	2.0
125.02342	44.3
129.01848	6.8
135.04414	1.0
137.02350	7.0
138.03137	3.0
139.03908	3.2
141.01843	1.2
144.94038	1.1
147.00774	3.6
147.02922	1.6
150.05521	3.3
151.00282	14.5
151.03883	1.4
152.01057	6.5
153.01825	8.8
153.05515	1.5
165.01814	9.0
167.03424	4.3
168.00510	1.3
169.01335	4.0
169.24713	0.9
175.00299	20.3
176.00928	1.8
176.03383	8.9
177.01923	1.7
178.99782	20.3
179.01274	1.4
181.01254	1.2
183.02992	1.8
183.35126	1.1
185.02443	1.5
187.04048	1.9
191.01926	1.7
191.03438	10.1
193.01360	100.0
194.01682	3.7
194.04474	1.7
205.03459	8.1
209.11819	1.5
215.03545	7.2
223.04556	20.1
229.05016	1.3
233.04489	2.4
239.03378	1.2
257.04459	6.6
257.13034	1.3
273.02789	1.4
283.10901	2.6
301.03510	14.9
301.11951	11.9
310.99066	1.1
316.02322	2.0
317.02921	1.6
318.02667	2.9
319.04559	16.4
319.08209	2.3
319.13016	6.3
320.04807	1.8
463.08267	1.4
477.38016	1.2
481.09717	26.6
481.18985	4.0
481.26440	4.4
482.09796	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	481.0988
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
53.29358	0.9
57.03309	3.1
57.86643	0.9
59.01238	4.7
65.53093	0.9
69.03330	1.6
71.01251	6.9
71.57030	1.2
71.57413	1.1
73.02770	1.2
75.00719	2.3
77.25376	0.8
81.03329	7.2
83.01271	7.5
85.02817	2.3
86.03448	1.0
88.98674	1.2
93.03325	1.2
93.67596	1.0
95.01292	1.7
95.04930	2.3
97.02811	1.4
101.02335	1.9
107.01292	6.8
111.00763	1.9
113.02309	1.4
113.05145	0.9
117.92005	0.8
118.79934	1.0
119.04905	1.8
121.02839	1.3
123.00793	8.1
123.04409	41.6
124.01556	1.2
124.04761	1.4
125.02337	76.3
126.02739	1.3
133.02850	1.3
136.98666	1.3
137.02328	3.4
139.00302	2.4
140.01077	2.3
141.01836	1.0
149.02386	2.5
151.00244	8.6
163.03918	1.2
167.03412	84.6
168.00574	3.6
168.03728	4.4
169.01338	79.3
170.01669	3.4
179.03548	1.3
179.23679	1.0
191.03453	2.6
193.01390	2.0
208.36137	1.1
209.04456	1.2
211.02470	5.4
241.03534	2.7
271.04529	3.8
313.05634	63.8
314.05960	2.7
414.36819	1.1
439.08850	26.9
440.09201	1.8
481.09879	100.0
481.25995	2.8
482.10245	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	481.0989
Annotation	Ampelopsin 3'-glucoside
Peak:m/z	Relative Intensity
57.03325	7.4
59.01247	37.0
64.81306	6.2
65.00166	12.0
69.68333	49.2
71.01250	24.2
73.02811	15.3
75.00732	25.8
83.01260	26.5
85.02798	11.3
87.00791	8.0
93.03338	28.5
95.01249	25.0
96.95889	7.3
96.96839	7.8
97.02783	9.4
99.00777	12.0
101.02304	19.9
107.01254	20.6
111.00746	32.7
113.02341	14.8
119.04869	14.2
121.02805	17.7
123.00745	18.5
123.04400	13.6
124.03879	6.2
125.02339	100.0
126.02689	7.1
133.02853	12.5
135.17281	6.7
137.02319	23.8
139.00256	44.6
141.01822	35.2
149.02344	25.2
151.00269	94.2
151.03825	7.9
153.01831	31.5
154.99713	26.6
156.00539	7.1
158.03584	7.2
161.06003	7.9
163.00269	6.8
163.03908	10.7
165.01884	13.4
165.98970	6.1
166.99760	30.4
167.03412	14.4
168.00578	18.6
169.01346	42.0
173.05989	8.3
177.01837	13.5
178.99800	85.2
179.03391	9.0
182.02092	7.7
182.99318	9.4
183.99989	7.7
193.01324	26.3
195.02887	10.5
201.05409	10.1
203.03343	8.5
217.04938	11.0
229.05020	18.9
231.06583	12.4
233.04628	6.5
245.04599	15.6
255.02977	9.6
257.04529	24.0
273.04016	25.1
275.05569	10.1
283.02405	23.9
287.05634	8.8
290.74677	6.8
301.03500	77.8
313.05582	13.4
317.03217	8.6
319.04538	33.6
341.05048	50.3
448.09680	10.5
463.08533	9.5
481.09686	70.7
481.30496	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	481.0992
Annotation	Ampelopsin 3'-glucoside
Peak:m/z	Relative Intensity
50.99397	1.0
57.03325	7.9
59.01249	10.2
63.02287	1.2
65.00187	1.5
70.22005	1.2
71.01235	5.1
71.13400	1.2
71.13741	1.8
72.99188	3.6
73.02825	1.5
73.36634	1.0
75.00735	7.6
81.03331	3.0
83.01263	5.1
85.02824	21.1
87.00784	1.6
89.02324	2.3
93.03325	1.1
95.01267	2.2
99.00762	2.3
101.02332	3.7
107.01308	5.0
108.02061	3.6
108.04467	1.7
109.02840	8.0
111.00767	6.9
113.02338	3.5
121.02860	4.1
123.00744	5.9
123.04436	1.1
124.01572	4.7
124.07606	2.0
125.02342	44.3
129.01848	6.8
135.04414	1.0
137.02350	7.0
138.03137	3.0
139.03908	3.2
141.01843	1.2
144.94038	1.1
147.00774	3.6
147.02922	1.6
150.05521	3.3
151.00282	14.5
151.03883	1.4
152.01057	6.5
153.01825	8.8
153.05515	1.5
165.01814	9.0
167.03424	4.3
168.00510	1.3
169.01335	4.0
169.24713	0.9
175.00299	20.3
176.00928	1.8
176.03383	8.9
177.01923	1.7
178.99782	20.3
179.01274	1.4
181.01254	1.2
183.02992	1.8
183.35126	1.1
185.02443	1.5
187.04048	1.9
191.01926	1.7
191.03438	10.1
193.01360	100.0
194.01682	3.7
194.04474	1.7
205.03459	8.1
209.11819	1.5
215.03545	7.2
223.04556	20.1
229.05016	1.3
233.04489	2.4
239.03378	1.2
257.04459	6.6
257.13034	1.3
273.02789	1.4
283.10901	2.6
301.03510	14.9
301.11951	11.9
310.99066	1.1
316.02322	2.0
317.02921	1.6
318.02667	2.9
319.04559	16.4
319.08209	2.3
319.13016	6.3
320.04807	1.8
463.08267	1.4
477.38016	1.2
481.09717	26.6
481.18985	4.0
481.26440	4.4
482.09796	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	481.0985
Annotation	Ampelopsin 3'-glucoside
Peak:m/z	Relative Intensity
51.67778	1.8
52.97762	1.4
57.03327	19.8
58.42910	1.3
59.01243	13.2
62.81005	1.4
63.02249	1.6
65.00182	4.8
65.81958	1.4
66.75568	1.5
69.58997	13.1
71.01260	17.1
72.99186	2.3
73.02798	3.0
73.93834	1.8
75.00743	4.3
83.01264	10.9
83.52808	1.7
85.02814	5.4
89.02303	13.6
95.01263	3.7
98.20493	2.9
99.00739	5.3
101.02310	8.3
107.01260	10.0
109.02826	7.8
111.00769	1.9
113.02319	5.5
119.03398	2.8
121.02839	3.4
123.00762	10.7
123.04396	1.7
124.01582	7.8
125.02328	99.0
126.02670	2.1
131.03371	3.1
135.04369	2.1
137.02361	16.7
139.03896	9.9
145.02771	1.6
146.77432	1.7
149.02321	4.1
149.04459	6.8
151.00256	30.1
152.01041	8.2
153.01831	20.3
155.03473	3.1
159.04436	3.5
161.02393	2.2
161.04495	2.2
163.00302	3.2
164.01004	1.9
165.01837	24.5
166.02538	2.3
167.03415	23.0
169.01320	18.1
175.00264	5.3
175.03812	2.8
177.01877	3.6
178.99792	34.3
185.05807	1.6
187.03888	4.0
189.01906	2.8
190.02625	3.7
191.03423	13.1
191.05315	2.7
192.00531	2.7
193.01349	100.0
194.01611	4.3
199.03944	1.6
204.04323	2.1
205.04887	4.8
207.02888	2.4
207.06505	2.2
211.03941	2.8
215.03447	5.4
227.03423	4.0
229.05017	2.7
231.02960	3.1
233.04463	10.3
239.03459	3.3
255.02913	15.4
256.03500	2.9
257.04453	5.8
272.03601	1.6
275.05518	10.2
283.02454	42.5
291.05130	2.1
301.03461	13.4
313.05673	3.2
319.04483	4.1
327.07056	2.3
329.05084	3.7
329.08789	3.6
349.18509	5.6
355.06689	37.1
356.06967	1.9
395.09616	2.1
437.11304	2.9
453.10312	7.2
453.71976	1.7
463.08804	65.9
464.09216	6.5
481.09921	39.5
481.23300	17.0
482.10153	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	479.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	0.4
59.01252	100.0
60.01574	0.9
61.98711	0.8
66.45510	0.4
71.01268	1.3
71.39537	0.9
78.95788	0.9
83.01310	0.4
85.02833	0.5
85.23775	0.4
87.04388	8.1
89.02320	0.6
101.02326	0.6
110.02670	0.4
121.02894	0.4
125.02357	0.7
137.02316	0.6
151.00333	0.7
197.28870	0.4
209.31970	0.4
263.34927	0.4
283.02249	0.4
293.21143	0.5
301.03552	0.8
302.03976	0.9
303.04150	2.2
316.02277	0.7
479.08527	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79943	0.0
58.00229	0.0
58.00485	0.1
62.38081	0.0
62.96279	0.2
64.38498	0.0
65.27902	0.0
71.01147	0.1
73.02816	0.0
73.66393	0.0
78.95777	20.2
80.23157	0.0
96.96852	0.3
100.41207	0.0
104.97309	0.1
122.98422	0.1
134.98407	0.2
151.86215	0.0
152.99496	2.6
168.04227	3.0
171.00558	0.2
194.05788	0.1
224.06888	8.7
225.07257	0.3
237.22224	0.2
242.07957	1.8
245.04289	0.5
253.21759	0.4
255.23270	100.0
256.23608	7.8
391.22394	0.2
444.01587	0.0
480.30945	18.2
481.31348	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3094
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
61.64246	0.3
69.86114	0.2
71.15438	0.5
71.15769	0.3
71.55264	0.2
78.95771	19.3
112.69404	0.3
122.00009	0.7
123.15522	0.2
140.01088	5.6
142.07901	0.3
152.99472	1.7
181.47116	0.3
185.40256	0.3
196.03722	9.7
197.03960	0.3
214.04828	2.2
242.76254	0.3
255.23232	1.4
283.26398	100.0
284.26752	9.7
361.08087	0.3
435.29495	0.3
480.30942	23.6
481.31302	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	481.099
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
57.03329	2.3
59.01250	3.4
61.50043	0.3
65.00198	1.2
65.70102	0.3
67.01761	0.4
69.03328	0.9
69.62444	1.1
69.62875	1.4
71.01254	4.4
71.32021	0.3
72.99200	0.9
73.02797	0.5
75.00764	1.0
81.03332	6.4
83.01253	4.5
85.02823	7.2
85.91170	0.3
87.00751	0.6
88.79597	0.3
89.02341	0.7
93.03339	0.6
95.01271	0.8
95.04919	1.0
97.02838	1.3
99.00768	0.9
101.02314	1.6
107.01277	4.9
109.02827	0.9
111.00774	3.3
113.02319	1.7
120.78880	0.3
121.02858	0.8
123.00789	4.9
123.04414	40.7
124.01585	0.9
124.04755	1.1
125.02338	46.0
126.02657	1.6
129.01843	2.3
135.00740	0.3
135.04445	0.4
136.98703	0.5
137.02354	0.8
137.05920	0.4
139.00296	1.6
139.03966	0.7
140.01056	1.4
141.01819	0.6
149.02330	1.6
149.99480	0.3
151.00290	5.1
151.03908	0.8
152.01010	0.4
153.01913	0.4
163.03897	0.7
165.01804	0.3
165.05562	0.4
166.02556	0.5
167.03415	91.2
168.00584	2.7
168.03751	3.6
169.01341	41.2
170.01669	1.3
171.71484	0.4
175.00288	0.7
177.01813	0.5
179.03485	0.9
181.01382	0.3
181.04994	1.0
189.01697	0.3
191.01738	0.6
191.03427	7.5
192.03752	0.4
193.01427	0.4
193.03336	0.4
193.04976	0.6
205.03473	3.1
209.04631	1.7
211.02440	7.6
217.01439	0.6
221.07622	0.3
223.04524	7.3
233.04491	0.9
241.03404	0.7
249.06125	0.4
267.07068	0.5
271.04572	4.9
301.12863	0.5
313.05658	22.7
314.06003	1.3
439.08875	2.0
481.09851	100.0
482.10211	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	479.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01577	0.9
71.01274	1.4
71.39511	0.4
78.95780	0.8
87.04397	3.9
92.49972	0.3
101.02322	0.5
110.64000	0.4
113.02373	0.4
116.37489	0.3
125.02363	0.5
137.79507	0.4
139.67325	0.3
149.55701	0.3
151.00287	0.5
152.99547	0.4
184.33951	0.4
219.06696	0.5
239.03748	0.5
240.03886	0.4
251.89409	0.3
269.03802	0.5
301.03717	0.6
301.56250	0.4
302.03781	0.7
303.04221	1.3
368.50491	0.4
382.12943	0.4
479.08276	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.4
59.01247	6.3
62.96292	1.6
68.16859	1.2
70.45438	5.4
74.51849	1.2
78.79541	1.3
78.95776	17.1
96.05565	1.7
98.20019	2.1
98.25218	1.5
108.24596	1.3
109.06415	1.5
110.98449	7.6
129.01726	1.7
129.09099	3.9
131.45724	1.4
139.11168	2.5
150.35608	1.3
152.99484	7.7
167.01031	5.7
169.12256	2.8
171.10176	7.0
181.12256	4.1
185.02161	9.2
191.14244	1.5
193.12234	2.0
197.11774	7.8
199.13351	3.9
211.13341	13.5
217.00064	1.8
246.78223	1.4
265.06708	1.4
275.19843	1.6
293.21149	15.4
305.32315	1.6
311.22253	100.0
312.22623	7.5
312.62210	1.5
479.24066	30.1
480.24390	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	479.25
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15713	0.3
59.01254	100.0
60.01596	1.1
61.98717	0.5
70.25163	0.2
71.01234	0.6
71.23675	0.5
83.01302	0.3
87.04397	3.5
90.38981	0.3
96.26912	0.3
100.84685	0.3
111.37458	0.3
143.71466	0.3
144.97807	0.3
155.36749	0.3
217.04945	0.4
218.52708	0.3
230.69185	0.3
270.39813	0.3
271.66928	0.3
301.03696	0.4
302.03802	0.4
303.04251	0.8
316.02017	0.3
325.03665	0.4
479.08844	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31642	0.6
55.01775	1.6
55.65615	0.7
57.03330	6.7
58.00459	0.7
59.01254	31.4
60.01591	1.1
61.98711	0.8
69.03332	0.8
71.01260	34.3
71.60802	0.9
72.99187	5.8
73.02810	3.9
73.26266	0.6
75.00752	31.6
78.95801	1.2
83.01270	3.9
84.02056	1.0
85.02831	39.8
87.00758	9.7
89.02323	11.5
95.01276	4.9
97.02827	4.7
99.00769	10.3
101.02329	10.1
103.00262	1.0
109.02840	2.1
111.00766	1.9
113.02340	33.0
114.02705	1.5
115.00250	2.3
117.01813	1.9
119.03391	3.2
121.02848	1.0
123.00787	0.7
123.04395	1.3
125.02354	2.2
129.01842	3.1
131.03415	1.7
135.04500	1.0
136.01596	1.0
137.02362	1.5
149.04497	1.0
150.03105	2.1
151.00253	1.7
151.03940	0.9
152.00690	0.8
152.99455	1.1
157.01349	1.7
161.04433	1.5
163.03821	0.8
165.05528	2.0
173.04518	3.0
175.02458	4.1
175.03842	1.2
183.13850	1.7
189.01895	0.7
189.05588	0.9
190.02664	0.8
191.01869	1.8
201.05598	1.0
216.04224	0.7
217.08655	0.9
219.06425	1.6
219.10130	0.9
220.07350	1.8
227.07176	0.8
244.07411	2.6
245.08203	3.4
245.11786	1.4
259.06039	1.6
271.02353	0.9
273.11374	2.6
287.91833	0.7
288.10095	1.4
299.13318	0.9
301.03522	1.9
302.03909	1.7
303.04141	2.6
316.02286	1.4
317.10333	5.2
317.13962	10.0
382.12845	0.8
394.97287	0.8
479.21317	100.0
479.32486	6.8
480.21649	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	479.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.5
57.03325	6.2
58.00451	0.6
59.01255	14.5
68.99683	0.7
69.03324	1.1
71.01257	27.3
71.14526	0.5
72.66292	0.5
72.99178	5.1
73.02826	3.6
75.00750	29.1
76.01083	0.5
83.01254	3.9
85.02826	36.7
86.03162	0.7
87.00748	9.1
89.02308	2.7
93.03329	0.5
95.01257	4.0
95.59216	0.5
96.37168	0.6
97.02837	1.2
98.19839	1.7
99.00750	9.8
101.02324	7.5
103.00266	0.9
107.02405	0.5
109.02823	1.1
111.00772	1.3
112.01587	0.8
113.02332	31.8
115.00256	2.3
117.01823	1.7
117.65468	0.5
121.02819	0.9
125.02329	6.9
129.01758	0.9
130.99748	0.6
135.04510	0.7
137.02356	3.8
146.90628	0.6
147.04416	0.8
151.00279	1.7
157.01321	1.3
161.04399	2.0
163.03970	0.7
175.02394	4.5
199.03897	0.7
215.16179	0.5
217.05074	0.9
229.43680	0.7
301.03458	1.7
302.03928	2.1
302.07855	0.8
303.04028	3.7
303.18118	2.6
316.02170	0.9
317.06818	1.3
317.10333	3.7
419.19211	0.7
432.13898	0.7
455.73315	0.7
479.21310	100.0
480.21750	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	479.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.3
58.00496	0.7
59.01257	9.4
61.98706	1.5
69.03337	2.1
69.39985	3.3
69.40412	3.0
71.01272	7.9
73.02814	2.0
75.00732	1.1
78.27480	0.6
78.95783	2.8
80.15395	0.6
83.01271	1.7
85.02824	8.5
89.02330	1.7
92.32778	0.6
95.01238	0.8
97.02837	38.8
98.03195	0.7
98.19810	1.1
99.00755	1.7
101.02331	4.0
107.01363	0.7
108.02051	1.0
109.02856	2.9
111.00806	1.0
113.02360	2.3
121.02864	1.6
121.06499	1.0
125.02332	1.7
129.01874	1.6
135.08138	0.9
137.02351	1.6
145.02878	1.4
145.06422	0.6
147.02875	0.8
151.00290	1.4
151.07484	0.7
152.00729	0.7
152.99478	2.0
159.04335	1.1
161.02362	1.9
161.04440	1.7
162.03174	1.6
163.03934	4.0
165.05495	1.9
166.02664	2.3
169.01402	0.7
171.08119	0.8
173.02380	3.0
173.06004	2.0
174.03084	0.9
175.03952	3.3
176.04576	0.8
177.05492	5.9
178.99759	0.7
181.04938	1.8
187.03995	1.0
187.07613	0.7
188.04727	2.5
188.08398	0.8
189.05487	11.2
190.02661	3.0
190.06297	3.8
190.99939	0.8
191.01920	1.4
191.03462	7.3
191.07062	4.4
192.04117	1.6
197.06081	1.0
199.07578	1.3
201.05544	5.3
201.09235	2.7
202.06299	4.5
203.03494	1.0
203.07027	6.2
204.07828	0.9
205.04997	4.0
205.08534	0.8
211.13353	0.9
212.04649	0.8
213.05553	2.4
215.03448	4.3
215.07100	2.4
216.04266	9.9
216.07840	8.3
217.04961	2.5
217.08618	9.8
217.12192	0.7
218.05699	1.0
218.09395	3.0
219.06590	9.3
219.10150	4.0
220.07355	18.4
221.08075	1.9
225.09157	0.8
226.06299	1.1
227.03590	0.7
227.07109	5.1
227.10675	0.7
229.05118	4.8
229.08675	2.9
230.05713	2.3
230.09377	1.3
230.11563	0.7
231.06642	4.5
231.10141	4.2
232.07384	5.5
241.04974	1.9
241.08731	2.2
242.09325	1.2
243.06584	3.5
243.10220	0.9
243.15916	1.5
244.07385	25.8
245.08168	26.1
245.11746	5.7
246.08607	1.7
246.12404	1.0
253.09164	1.3
255.10316	1.5
259.06125	12.4
259.09641	1.8
260.06439	1.0
260.10498	2.0
261.11346	3.3
269.08231	1.3
270.09079	1.7
271.13388	0.9
273.08282	1.7
273.11322	28.9
274.11560	2.0
287.09235	3.2
287.12405	0.9
288.10092	10.6
288.13211	1.3
288.71890	0.8
289.07205	0.8
289.10461	1.5
289.14371	2.5
299.12891	5.0
301.03476	1.9
302.03925	1.6
303.04150	2.8
311.05621	1.9
316.13113	2.0
317.13953	100.0
318.10880	1.2
318.14258	8.5
382.12836	6.1
407.13364	1.3
450.15451	0.8
451.19186	0.7
467.47974	0.7
479.19247	88.1
479.32477	2.6
480.19684	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03283	0.7
58.54459	0.7
59.01245	6.2
68.47229	0.8
69.03318	1.9
69.27378	8.8
71.01257	4.9
73.02798	1.2
75.00733	1.6
80.94234	0.7
85.02823	5.1
87.00739	1.0
89.02291	1.1
93.03338	0.7
97.02834	39.2
98.03156	0.8
99.00774	0.8
99.82615	0.8
101.02311	1.7
107.04891	1.0
109.02814	1.8
111.00756	1.3
113.02292	2.3
119.04856	1.0
121.02825	1.2
121.06461	1.0
123.00739	0.9
124.01546	1.1
125.02326	5.6
129.01848	1.6
133.06471	0.8
134.03691	0.9
137.02309	3.5
137.05914	1.3
150.03070	2.0
151.00282	2.2
151.03883	1.2
151.40544	0.7
152.99481	0.9
157.06520	1.0
159.04346	0.9
161.02327	1.1
162.03122	1.5
163.03879	3.4
164.04549	1.0
165.05504	1.6
166.05008	6.4
168.75528	0.7
169.01306	2.9
170.69922	0.8
173.02313	2.1
173.05984	2.6
174.03073	1.3
175.03920	2.7
177.05472	5.9
187.03859	1.7
188.04716	2.3
189.05510	9.4
190.02605	3.2
190.06250	3.6
191.03462	6.4
191.07040	4.0
192.03893	1.2
192.07634	1.1
201.05479	4.8
201.09076	2.4
202.06238	4.5
203.03456	1.2
203.07047	4.9
204.04179	0.9
204.07939	1.4
205.05022	4.3
213.05545	2.3
215.03401	3.3
215.07060	2.6
216.04260	9.1
216.07825	5.9
217.04921	2.6
217.08623	12.6
218.09283	2.3
219.06601	6.8
219.10132	4.6
220.07347	15.0
221.07866	1.3
226.06276	0.8
227.03609	1.1
227.07193	4.9
227.10670	1.3
228.04405	0.8
229.05148	4.2
229.08624	2.7
230.05734	1.9
230.09325	2.0
231.06577	4.1
231.10112	2.4
232.07370	4.6
233.07890	1.2
241.04987	1.0
241.08601	2.3
242.09386	0.9
243.06581	4.5
243.10225	1.4
244.07384	28.0
245.08147	29.5
245.11847	5.0
246.08514	2.0
255.10303	2.1
258.08868	1.6
259.06110	13.4
259.09537	1.6
260.06464	1.0
260.10538	2.6
261.11258	3.5
270.08902	2.2
271.09647	1.3
273.11334	31.7
274.11624	2.4
287.09244	3.8
288.10034	11.6
289.14374	1.7
299.09656	1.0
299.12836	6.2
301.03461	1.4
302.04068	1.5
302.07813	1.4
303.04095	3.0
313.05676	4.7
316.13330	1.5
317.10645	5.0
317.13925	100.0
318.14255	7.3
330.85098	0.9
382.12543	1.7
407.13492	2.2
479.19290	93.2
480.12170	1.4
480.19601	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	479.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	3.4
67.01749	1.2
69.73276	2.7
71.01244	2.8
72.99165	1.0
73.02814	1.2
79.01756	1.0
81.03312	0.7
83.01260	1.5
85.02827	1.7
87.00783	0.6
95.01281	2.5
95.83772	0.4
97.02825	0.6
99.00785	0.6
101.02332	2.7
105.49352	0.4
107.01284	5.4
109.02833	0.5
111.00774	3.2
113.02316	0.4
118.03451	0.5
123.00768	18.6
123.04503	0.4
124.01547	1.6
125.01440	0.8
125.02343	16.9
126.02668	0.5
127.00252	1.2
136.98701	1.9
137.02365	0.8
139.00270	6.2
140.01077	5.5
141.01830	2.8
151.00278	13.6
153.01891	1.0
161.02344	0.5
165.09132	7.2
166.45883	0.4
168.00560	3.7
169.01341	17.8
170.01709	0.8
198.86810	0.5
211.02419	0.8
255.02892	0.5
271.02451	1.5
287.01840	0.7
299.01941	1.1
301.03336	0.6
302.03900	0.5
303.04153	1.0
313.05615	0.6
316.02170	0.5
327.14447	0.6
479.15585	100.0
480.15952	13.2
480.22992	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	9.1
58.00459	3.6
59.01252	100.0
60.01592	2.8
69.03320	10.1
70.07076	11.8
71.01252	67.4
72.99181	16.7
73.02819	6.4
75.00747	36.4
76.26577	2.1
79.05401	4.7
81.03321	5.7
83.01273	6.6
83.04893	8.9
85.02833	11.3
87.00758	7.2
89.02314	48.8
91.90205	2.1
95.01270	6.7
95.04901	4.1
97.02842	3.4
97.06475	8.5
98.20517	2.4
99.00765	7.6
99.04383	10.9
101.02333	32.4
102.49914	2.4
107.01248	3.4
107.04869	3.4
109.06464	3.5
111.04373	3.0
113.02329	19.4
119.03381	19.2
123.00753	3.5
123.04415	5.2
123.08060	6.4
125.02338	9.2
125.05962	4.9
129.01842	5.5
131.03369	5.2
149.04420	10.8
149.09630	2.3
150.03157	5.4
151.00256	12.0
152.99484	3.2
153.01872	2.3
161.04494	3.9
163.11156	3.1
165.01822	2.7
165.05493	4.9
167.07053	9.2
169.01401	4.9
174.39793	2.3
175.11183	12.0
179.05519	14.3
191.05490	3.2
193.12271	5.4
207.10202	10.4
243.02934	2.6
255.12491	2.4
268.90930	2.3
271.02509	3.5
299.02054	2.4
299.11386	23.9
300.11633	2.5
301.03491	2.3
316.02359	10.0
317.02985	5.5
317.06577	10.4
327.21869	2.4
347.13458	8.7
347.20822	3.1
387.16687	13.5
479.08151	7.9
479.11868	1.8
479.18149	25.9
479.24973	7.4
479.32077	34.8
480.08920	3.1
480.18314	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	479.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72455	1.9
59.01242	4.8
70.79874	1.6
70.80200	3.3
71.86066	1.3
78.95770	8.3
87.27000	1.5
91.01769	23.1
95.01261	2.8
108.02040	7.3
109.02835	2.5
121.02766	1.5
130.75731	1.5
133.02847	11.4
134.03627	35.5
135.00769	17.3
135.04424	44.6
136.04669	2.3
148.01569	12.9
149.02339	1.5
149.60376	1.6
152.99532	9.8
153.01820	28.5
161.02376	4.3
169.06546	2.5
171.04375	2.5
174.03227	1.7
179.03381	2.1
179.07047	2.0
180.00560	26.1
183.04396	2.5
185.02344	1.7
194.05763	2.0
197.05971	5.1
199.03915	6.2
200.04607	2.0
201.05508	5.4
208.05251	1.6
209.08109	1.9
211.13374	1.8
213.05437	2.3
217.00250	2.3
224.04686	2.1
225.05557	8.1
226.06299	2.8
227.03462	14.0
228.03589	1.6
241.05113	7.7
251.03503	3.3
253.04953	2.1
254.02151	2.9
269.04556	100.0
270.05289	53.7
271.06046	21.6
285.07715	2.4
293.21146	3.4
311.22330	7.7
311.29611	2.4
449.12262	5.4
461.12448	6.0
479.07065	2.0
479.13446	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	479.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	7.4
65.37415	0.6
70.70745	1.9
74.92608	0.8
78.95764	3.2
91.01772	13.3
93.03353	3.6
95.01257	6.3
96.95943	0.8
105.01555	0.7
108.02060	20.1
109.02864	5.5
111.00744	0.7
121.02847	30.8
123.00752	1.7
123.04363	0.8
132.02121	0.9
133.02864	13.6
134.03648	21.9
135.00775	12.9
135.04433	21.4
136.04739	0.8
148.01573	50.9
149.02359	47.4
150.03175	8.5
151.03873	2.9
152.99522	2.9
153.01845	16.0
155.04932	0.8
157.06403	0.8
160.01541	1.7
161.02348	12.9
162.03203	4.0
163.03914	14.8
163.05185	1.2
164.04733	3.7
165.05492	14.2
169.06485	3.9
171.04425	1.3
171.10155	2.2
173.05991	0.8
174.03163	0.9
175.03934	13.4
176.04688	5.7
177.01900	1.0
177.05469	1.6
179.03430	14.0
179.04910	1.4
179.07021	1.8
180.00578	59.6
180.04100	6.7
181.00900	1.9
181.06465	0.9
183.04428	4.1
185.02388	0.9
185.05971	1.6
186.03174	1.1
191.07076	2.2
193.04956	1.0
194.04170	1.1
194.05817	13.3
195.04654	0.8
195.06561	25.6
196.05336	1.6
196.06870	0.7
197.06007	7.1
198.03156	1.4
199.03893	5.6
201.05487	7.7
207.06450	1.0
208.05318	0.8
209.08127	9.2
210.03250	0.8
211.03931	0.7
211.13298	1.6
213.05531	4.1
215.03455	1.1
224.04773	5.0
225.05533	13.9
226.02661	1.7
226.06216	2.2
227.03444	13.1
239.03407	0.7
241.05031	12.0
242.05661	1.3
251.03371	2.1
253.05092	2.0
254.02208	1.1
255.02957	3.7
256.03717	1.6
261.56360	0.8
267.06564	1.0
268.03775	2.0
269.04556	100.0
270.05304	54.1
270.08353	1.1
271.06042	18.1
272.06464	1.3
283.02478	3.1
283.06116	4.4
284.03250	2.1
285.04147	2.9
285.07663	31.3
286.08032	2.2
316.02286	1.1
449.12372	21.9
450.12814	2.6
461.12411	20.3
462.12869	2.4
479.13464	46.2
480.13892	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	479.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97243	0.6
54.84844	0.6
56.16350	0.5
59.01250	3.0
65.00184	0.9
76.62131	0.6
78.95779	3.0
89.71973	0.5
91.01771	26.9
93.73089	0.5
95.01250	2.2
98.19747	1.3
98.20452	3.2
106.04178	0.6
107.04871	0.8
108.02054	8.2
109.02831	1.6
110.98427	1.0
121.02789	1.1
123.04430	1.2
126.21737	0.7
133.02856	9.7
134.03635	33.6
135.00784	23.4
135.04416	69.9
136.01398	0.7
136.04744	2.5
148.01561	16.9
151.03909	1.1
153.01834	39.4
160.01601	1.0
161.02353	4.8
164.04691	1.2
169.06488	2.3
171.04401	1.4
171.10146	1.1
173.06047	0.9
174.03128	1.0
176.04703	2.3
177.01830	0.9
179.03455	2.8
179.04774	0.7
179.07036	1.2
180.00560	20.7
180.02113	1.2
180.05708	0.7
181.06480	1.5
182.03615	1.1
183.04454	2.3
185.02187	1.2
185.06004	0.7
186.03085	0.7
194.05818	3.6
195.04480	0.9
196.05182	1.7
197.06010	4.8
197.11827	1.0
198.03116	1.4
199.03940	6.6
200.04521	0.8
201.01797	1.0
201.05508	6.7
207.08583	0.6
208.05125	1.0
209.08069	4.2
211.03885	0.7
211.13318	1.2
213.05475	3.9
215.03452	0.7
217.00166	1.0
223.03870	0.8
224.04688	3.0
225.05516	7.9
226.02611	1.1
226.06116	1.4
227.03436	14.0
228.03844	1.1
241.05022	8.4
251.03471	2.3
253.04967	2.0
254.02101	2.0
269.04544	100.0
270.05295	49.8
270.08340	1.1
271.06085	31.6
272.06415	1.9
285.07797	3.1
289.18051	2.8
293.21033	0.9
311.22217	8.2
312.06458	0.7
313.07416	0.8
342.51727	0.6
343.11914	0.6
431.68289	0.6
449.12415	2.5
461.12415	2.9
479.13516	7.3
479.24393	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05246	1.2
52.34193	1.5
53.82127	1.3
57.02861	1.4
57.03311	3.2
59.01259	16.5
61.98689	1.4
65.50552	1.4
68.93375	1.2
69.03323	3.3
71.01244	7.5
81.03342	2.3
82.26419	1.3
83.01250	6.8
85.02821	4.2
89.02349	2.6
93.03329	3.5
95.04903	4.1
97.02831	25.8
100.54107	1.4
101.02325	3.9
108.02055	3.9
109.02826	10.4
111.00803	2.0
113.02296	2.8
121.02856	12.3
122.03661	10.7
123.00795	1.9
123.04376	6.4
124.01559	2.7
125.02327	22.6
132.02075	9.2
133.54437	1.5
134.03627	25.8
135.04333	2.2
137.02351	43.9
138.03075	1.9
139.03899	5.8
145.02831	6.3
147.04408	1.8
148.01570	3.9
149.02335	8.2
149.05997	8.9
150.03122	3.0
151.00272	3.8
151.03877	4.3
152.00616	1.4
152.99529	1.9
159.04420	4.8
160.01567	40.4
160.05205	1.7
161.02254	5.4
161.04553	1.5
161.05963	2.4
162.03078	1.8
163.03886	4.5
164.01131	3.5
164.04707	2.1
165.01857	53.6
165.05515	1.7
166.02348	3.2
167.03395	2.0
169.01378	2.9
172.05217	1.9
173.02385	2.4
173.05994	2.8
175.03932	59.2
176.04482	3.2
177.05449	2.1
179.03406	3.3
181.00398	1.8
183.04430	3.0
185.05894	1.9
187.03961	1.7
188.04680	2.2
191.03395	5.6
191.07039	3.9
192.04204	1.7
193.05011	7.7
199.03842	1.8
200.04694	1.8
201.05548	7.4
202.06226	5.8
203.07043	1.9
204.04247	5.9
205.46001	1.4
209.08194	2.7
215.06989	2.6
216.04265	1.6
217.08675	2.6
219.06557	15.6
220.07359	14.8
221.08073	3.5
225.05536	3.1
226.06230	3.1
227.03459	2.8
231.06708	1.7
235.09659	7.1
241.04996	4.0
241.08641	2.6
242.05728	2.0
244.07408	8.3
246.05254	1.9
253.04912	2.9
255.02933	2.0
257.08124	3.8
257.12772	1.9
259.09708	3.4
261.07578	2.1
267.11755	1.5
269.04388	3.2
270.05322	9.6
271.05972	6.2
285.04504	2.8
285.07654	23.3
286.07950	1.6
301.03558	3.5
302.03790	1.8
303.04193	5.3
303.08737	100.0
304.09116	8.5
313.10748	5.0
315.08713	8.2
316.01974	1.8
316.12988	2.2
317.13882	13.9
318.14270	1.6
329.10315	2.6
355.08374	4.3
382.12769	13.6
435.14511	3.0
436.18832	4.4
479.07724	2.6
479.13528	2.8
479.19321	9.5
479.33307	3.8
480.19342	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45380	0.2
57.03324	14.9
59.01036	0.1
59.01249	1.6
61.98684	0.2
69.57536	0.1
71.01254	1.1
72.99203	0.2
73.90684	0.2
75.00742	0.7
75.13857	0.1
81.03326	1.4
81.37009	0.2
83.01260	3.6
85.02827	1.2
87.00755	0.2
89.02279	0.3
95.01260	0.3
98.19762	0.4
98.20458	0.6
99.00742	0.2
101.02315	0.7
107.01288	0.2
109.02841	0.4
111.00757	0.2
113.02329	0.9
119.03365	0.2
121.02831	0.3
124.01573	1.3
125.02338	100.0
126.02675	2.5
132.04494	0.2
133.02838	0.2
137.02354	0.9
138.69876	0.2
139.03845	0.3
145.02930	0.1
148.01610	0.2
149.02357	0.2
150.03122	0.3
151.00288	0.6
152.00865	0.2
163.00316	0.2
164.01103	0.2
164.04610	0.2
165.01826	0.5
165.05421	0.2
166.05016	0.4
169.01280	0.3
176.01065	1.8
177.01845	1.1
178.99747	0.1
191.03410	2.4
192.04172	0.4
203.06920	0.3
229.59396	0.2
243.02986	0.2
258.05246	0.3
271.06064	0.2
287.05432	0.3
287.08374	0.2
301.03522	0.7
302.04053	0.4
302.07925	0.7
303.04028	0.7
313.05771	0.2
316.02142	0.2
317.03024	0.4
317.06671	1.7
317.10327	1.3
318.07037	0.2
479.11996	5.6
479.21219	1.9
480.12296	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1196
Annotation	Ampelopsin 3'-methyl ether 4'-rhamnoside
Peak:m/z	Relative Intensity
59.01249	9.4
60.99818	0.5
65.00177	1.2
66.77785	0.5
67.01766	0.8
69.03312	1.3
69.91782	0.5
70.03638	1.8
70.04043	1.5
71.01254	4.0
72.99178	1.5
73.02804	0.9
83.01265	0.9
85.02822	2.5
87.00766	1.0
89.02296	0.8
92.46775	0.6
93.03321	3.1
95.01270	2.6
96.95880	1.2
97.02824	1.6
101.02329	1.9
107.01274	9.1
109.02831	0.7
111.00758	2.1
113.02322	2.1
119.04902	1.3
121.02857	0.8
121.06468	2.7
123.00769	17.1
124.01531	1.9
125.02338	50.2
126.02722	1.7
136.98715	1.6
137.02330	2.1
139.00272	4.4
140.01077	3.7
141.01814	1.6
143.53998	0.6
150.99144	0.7
151.00282	9.3
151.03854	1.2
152.01064	0.9
153.01880	1.1
163.00279	0.7
164.01137	1.0
165.05478	18.1
166.05838	1.0
167.03442	0.7
168.00531	3.5
169.01335	59.2
170.01660	1.7
174.76831	0.6
178.99768	1.1
179.03398	0.8
193.01260	0.7
199.03851	0.7
203.03410	1.2
211.02307	1.1
214.02623	2.6
227.03462	0.7
242.02129	1.9
243.02821	2.1
253.03462	0.7
259.02438	2.4
270.01694	2.2
271.02481	15.1
272.02969	0.9
287.01953	8.5
288.02393	0.8
306.66052	0.6
313.05701	13.7
314.06024	0.9
316.02234	31.6
317.02850	7.1
317.10257	0.7
345.08682	0.6
461.10959	9.0
462.11328	1.4
479.12357	100.0
480.12943	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	479.1216
Annotation	Padmatin 5-glucoside
Peak:m/z	Relative Intensity
57.03328	10.5
59.01253	5.0
65.00170	0.7
71.01254	3.3
71.60567	0.6
72.99201	0.7
73.02819	0.6
75.00736	1.7
79.70864	0.3
81.03326	2.0
81.26930	0.3
83.01259	9.6
85.02824	3.0
85.95679	0.4
87.61549	0.3
89.02307	1.2
93.03342	0.9
95.01265	0.8
97.02827	0.8
99.00764	0.7
101.02340	1.2
107.01270	1.3
108.02079	0.7
109.02855	2.4
111.00735	0.7
113.02293	1.7
121.02847	3.7
123.00800	0.7
123.04353	0.7
124.01565	3.5
125.02341	100.0
126.02663	3.3
129.01900	0.5
133.02806	0.6
137.02354	6.0
139.03917	3.7
148.01567	1.4
149.02361	5.3
150.03110	0.7
151.00275	3.5
151.03925	0.6
152.00638	0.8
153.01859	0.6
161.04468	0.6
163.00296	0.8
164.01102	0.7
165.01869	5.0
167.03419	3.4
169.01436	0.7
176.01080	7.4
177.01894	2.0
178.99825	1.0
179.03450	1.2
191.03455	6.3
192.03906	0.4
199.03993	0.4
215.03441	0.7
219.06386	0.4
233.04501	0.8
239.03352	0.4
243.02943	0.5
249.06163	0.6
255.03011	0.6
257.04010	0.5
265.46039	0.3
267.07062	0.4
271.02505	1.0
273.12070	0.4
287.02066	0.6
287.07672	1.0
299.02173	0.7
299.05750	0.8
301.03549	4.9
302.03958	3.3
303.04083	6.5
303.07495	0.4
316.02264	1.3
317.03119	0.9
317.06674	22.6
317.10242	2.4
318.07013	1.4
341.06693	1.1
351.30389	0.4
359.07706	2.2
360.08078	0.5
380.63010	0.4
479.06281	0.4
479.12680	7.2
479.19946	0.7
479.31927	2.1
480.12329	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24751	0.3
57.03341	0.3
57.05357	0.3
57.38263	0.3
59.01252	2.8
63.02270	2.7
65.00198	4.7
71.01254	1.1
73.02834	0.3
75.00756	1.5
81.03345	0.6
83.01261	3.9
85.02828	1.1
87.00740	0.4
89.02318	0.4
93.03334	1.3
95.01260	0.5
96.42162	0.3
98.19776	0.7
101.02325	0.6
107.01270	10.3
109.02843	8.7
113.02327	0.9
121.02798	0.4
125.02348	2.1
135.04417	0.4
137.02345	24.9
138.02650	0.7
143.34296	0.3
151.00276	35.4
152.00685	1.2
155.03365	0.4
161.02216	0.3
163.00284	1.3
164.01039	0.9
165.01840	1.6
169.01344	4.5
175.02403	0.4
175.03894	0.5
178.99782	28.4
180.00114	1.1
190.99811	0.5
191.03412	0.4
192.00529	1.9
193.01421	1.5
196.65021	0.3
201.72653	0.3
227.03435	0.8
243.02950	0.6
245.04546	0.4
247.02562	0.3
255.03012	0.6
259.02600	0.4
271.02551	2.2
287.01981	0.5
289.03568	0.5
301.03400	1.5
302.03860	1.5
302.06879	0.3
303.04010	2.3
316.02264	2.4
317.03006	100.0
318.03354	6.9
479.08206	3.6
479.20538	1.3
479.31769	0.5
480.08987	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91169	1.8
59.01246	10.0
59.36556	1.9
63.02262	2.9
65.00184	10.7
67.01765	2.3
69.03313	2.5
69.33234	15.2
69.33649	7.3
71.01250	5.5
71.66366	1.9
75.00751	12.5
77.82695	2.2
83.01264	5.2
85.02828	4.1
93.03368	4.4
95.01256	9.2
98.19836	4.3
99.00777	2.8
107.01255	16.8
108.02059	4.5
109.02847	15.2
109.99950	2.2
111.00758	11.7
112.83513	2.0
121.02785	2.4
123.00761	27.7
124.01529	4.0
124.98720	2.6
125.02348	26.1
130.55354	2.3
133.02786	3.0
135.00847	2.1
136.98691	6.0
137.02371	5.4
139.00272	16.2
140.01048	4.6
141.01831	5.9
141.52684	2.1
143.04971	4.0
147.04413	4.0
148.01495	2.8
148.76929	2.2
149.02338	2.9
149.99498	8.1
150.99130	3.9
151.00269	50.9
152.00995	7.2
153.01825	8.9
154.99734	4.7
157.02885	2.7
159.04404	8.0
161.02354	7.6
163.00237	5.0
163.03873	2.9
164.00989	3.3
164.98227	2.5
165.09097	5.7
165.99011	3.8
166.99739	5.1
167.03513	2.3
168.00549	13.3
169.01366	22.8
171.04465	5.2
173.02390	3.2
175.03926	10.3
177.01877	3.7
177.98988	8.8
178.99763	48.1
180.00250	3.3
185.02315	2.3
187.03947	14.6
188.57011	2.3
189.01872	8.5
190.02499	3.0
191.03421	5.4
192.00592	2.9
193.01306	3.8
194.99405	4.5
197.00798	3.7
197.02423	3.2
199.03925	7.6
201.01965	2.8
202.02629	3.1
203.03445	15.3
204.04111	2.9
205.01442	3.3
205.04980	5.5
206.99411	2.4
213.01834	3.4
214.02512	3.9
215.03465	12.7
217.01309	4.1
217.05025	5.4
222.98862	2.5
227.03477	3.1
229.01460	3.8
230.02089	2.6
231.03009	10.8
232.03738	11.8
233.04494	17.0
241.01474	2.7
242.02164	4.3
243.02898	17.3
245.04579	5.3
247.02269	6.0
258.01608	3.4
259.02490	15.4
260.03070	3.0
261.03955	17.3
269.00812	2.9
271.02478	30.4
272.02859	3.7
286.01175	6.6
287.01981	52.6
288.02539	11.1
289.03470	11.6
297.00394	6.1
299.02020	13.8
301.03268	2.7
303.01376	2.9
315.01440	94.8
316.01926	14.4
317.02875	4.9
332.01636	18.5
333.02457	22.2
334.02853	2.6
339.07162	3.4
343.06705	6.6
379.10318	4.3
388.43100	2.3
407.10257	3.9
461.07379	6.8
479.08261	55.3
479.15540	100.0
479.22501	5.2
479.32556	12.2
480.08725	5.7
480.15942	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	479.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	2.8
63.02256	1.5
65.00198	4.3
69.39975	12.0
71.01247	1.7
81.96409	1.2
83.01270	1.6
86.31805	1.0
89.02374	1.1
95.01274	3.8
107.01259	4.3
109.02853	7.6
109.15845	1.0
109.99990	7.6
111.00756	4.8
119.04964	1.2
121.02844	2.6
123.00784	4.9
124.01570	5.9
125.02325	4.0
136.98665	2.2
137.02335	3.3
137.99509	2.6
139.00250	7.9
143.04881	1.7
146.03609	2.0
148.01555	1.9
149.02361	1.2
151.00275	17.8
151.03909	1.3
152.01050	6.0
153.01849	3.2
159.04408	2.8
161.02309	2.4
163.00252	4.7
163.03873	1.2
164.01045	3.7
165.01872	1.7
165.99022	7.3
166.99767	5.8
169.01381	1.1
171.04402	4.0
173.02440	1.3
175.03934	2.8
178.99765	13.5
187.03940	4.1
189.01881	2.6
190.99736	1.6
197.02478	1.5
198.03166	1.1
199.03946	8.0
201.01930	3.4
201.05562	1.5
203.03447	5.8
211.03902	1.8
213.01813	1.6
214.02660	3.7
215.03410	6.4
216.04099	2.2
226.02631	1.8
227.03442	7.2
229.01358	1.7
231.03011	5.5
232.03671	1.5
241.01630	2.3
242.02121	6.9
243.02936	16.6
244.03645	1.4
245.04510	2.4
255.02922	5.4
259.02530	6.9
260.03055	2.4
269.04456	2.0
270.01685	7.2
271.02472	46.1
272.03079	9.3
273.03983	7.8
287.01971	19.8
288.02631	8.8
289.03470	2.3
298.01346	3.0
299.01981	31.3
300.02466	3.2
301.03595	4.5
302.03946	1.8
303.03995	6.0
314.87662	1.3
315.01489	2.4
316.02209	67.0
317.02966	36.8
318.03363	3.0
343.06693	1.6
461.07385	2.8
479.08295	100.0
480.08627	12.0
482.92035	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98193	0.4
63.02260	0.4
65.00195	1.2
69.42864	0.4
70.90917	0.9
73.71253	0.3
83.01261	0.8
92.59980	0.3
96.23154	0.3
107.01273	1.9
109.02834	1.4
124.01572	3.5
125.02367	0.8
135.00777	0.9
136.01511	0.6
137.02338	2.1
148.01521	0.5
151.00272	7.4
152.01091	1.8
163.00290	1.7
164.01048	2.8
165.01791	0.6
169.01360	0.6
177.01804	0.4
178.99794	8.1
180.00114	0.4
187.03981	0.6
192.00526	0.5
198.03134	0.3
199.03899	0.7
203.03429	1.1
204.04263	0.7
214.02676	9.3
215.03343	1.4
216.04233	0.5
219.03006	0.3
227.03464	1.5
232.03716	0.8
241.01358	0.4
242.02191	7.7
243.02959	5.9
244.03735	0.8
259.02472	9.2
260.02994	0.6
270.01706	9.0
271.02487	48.3
272.02847	4.3
287.01990	30.4
288.02454	4.3
289.02820	0.4
299.02057	0.6
315.01559	0.9
316.02240	100.0
317.02835	20.2
318.03427	1.0
458.28375	0.4
479.08319	51.6
480.08652	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	479.083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59678	0.7
56.81603	0.6
59.01236	2.4
63.02260	0.6
65.00194	3.7
68.99654	0.8
71.01256	1.4
71.03637	1.4
72.87373	0.6
77.34522	0.7
81.03374	0.7
82.11719	0.6
83.01246	1.9
85.52183	0.6
90.22176	0.7
95.01255	3.2
101.02286	1.0
103.74512	0.7
107.01279	4.2
108.02100	1.2
109.02829	7.1
109.99977	6.5
111.00789	4.4
121.02847	1.1
123.00777	4.9
123.04469	0.7
124.01579	3.6
124.02323	0.6
125.02329	3.3
133.02856	1.4
135.00793	1.7
136.98689	1.9
137.02335	3.2
137.99477	2.0
139.00250	7.5
143.04872	0.8
148.01518	2.1
149.02350	2.4
150.99132	0.9
151.00281	13.1
151.03802	0.7
151.41768	0.7
152.01062	7.0
153.01819	4.4
159.04407	1.4
161.02298	0.8
162.99146	0.7
163.00229	4.3
164.01068	4.8
164.98132	0.8
165.01833	0.9
165.98967	6.5
166.99741	5.8
168.68257	0.6
169.01338	1.9
170.03552	0.9
171.04419	2.5
172.05019	0.8
173.02484	0.9
173.05968	0.8
174.03079	1.3
175.00294	1.4
175.03905	1.8
176.01031	0.8
177.01801	0.9
178.99760	10.8
180.00368	0.9
181.01376	1.2
183.04448	1.6
185.02386	0.8
186.03111	0.7
187.03946	4.5
189.01848	2.0
189.05560	0.9
190.99750	1.3
192.00500	0.8
192.73576	0.6
193.01335	1.3
194.99237	1.2
197.02457	0.8
198.03055	1.5
199.03905	5.7
201.01842	2.9
202.02725	1.2
203.03462	4.2
204.03870	0.6
205.01447	0.9
206.99281	1.6
208.00014	1.2
211.03908	1.8
213.01852	1.5
214.02592	3.5
215.03455	4.4
216.04185	2.2
217.01436	1.0
217.05054	0.8
219.02875	1.2
226.02718	1.3
227.03421	5.4
228.03979	0.7
229.01361	0.8
231.02950	3.6
232.03683	1.5
241.01497	1.6
242.02173	5.3
243.02991	11.9
244.03459	1.5
245.01024	0.8
245.04518	1.4
255.02991	6.5
259.02475	5.4
260.03156	2.0
269.01004	0.7
270.01630	7.1
271.02460	38.4
272.03021	8.1
273.04047	5.8
287.01950	20.3
287.04456	0.6
288.02606	8.4
289.03238	1.4
298.01035	2.3
299.01950	28.5
300.02469	3.1
301.03506	2.1
302.03632	0.9
303.04001	1.5
315.01614	1.4
316.02200	66.1
317.02957	47.6
318.03403	3.8
335.16959	1.2
343.06680	1.3
435.09241	1.4
461.07172	2.9
479.08258	100.0
479.32358	1.6
480.08551	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	478.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.9
62.96278	0.6
71.58943	0.9
78.95779	100.0
84.08883	0.7
96.96838	6.8
138.81334	0.6
148.96906	0.7
151.00308	1.0
152.99498	17.1
171.00560	15.7
225.17799	0.6
301.03586	2.1
302.03915	3.8
335.61911	0.6
404.25620	1.7
461.89310	0.6
478.29398	53.7
479.29822	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	478.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34707	0.2
60.73629	0.2
70.96841	0.5
78.95777	5.2
114.51891	0.2
140.01073	2.1
152.99503	0.5
196.03755	1.3
214.04823	2.5
257.68610	0.3
281.24850	100.0
282.25192	9.0
427.65445	0.2
449.61490	0.2
478.29376	7.3
479.29736	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2939
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
53.17306	0.4
69.45584	3.7
78.95779	18.6
122.00003	0.9
140.01105	4.9
152.99518	2.1
196.03743	9.6
205.45088	0.5
214.04776	2.5
281.24863	100.0
282.25198	9.9
377.24973	0.4
452.04218	0.4
478.29404	20.5
479.29825	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	477.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04179	0.9
55.67097	0.9
55.72029	0.9
57.03340	1.1
58.00467	1.2
59.01253	72.9
63.02255	1.8
65.00191	5.1
70.10901	5.0
71.01257	21.1
72.99180	0.8
73.02822	4.4
75.00759	1.2
76.95027	0.9
80.46991	0.9
83.01266	4.5
85.02816	10.0
87.00764	1.5
89.02314	12.9
91.01752	1.0
91.57130	0.9
93.03336	1.1
95.01279	1.1
97.75821	1.0
98.19868	1.0
98.26495	0.9
99.00762	3.3
101.02325	15.5
107.01268	9.4
109.02850	5.0
113.02331	11.5
119.03385	4.1
120.58382	0.9
121.02840	8.9
125.02335	1.3
135.04375	1.1
139.03894	1.0
143.03407	1.5
149.02391	1.4
151.00291	27.6
152.00725	1.3
159.02910	1.3
161.04489	11.0
163.00294	4.3
165.01834	1.5
169.01352	2.6
178.99799	16.4
179.05534	2.8
183.13872	1.7
187.03828	1.4
193.01399	1.0
211.03958	3.0
227.03458	1.7
229.05074	1.5
243.03133	1.3
245.04527	3.9
250.53824	1.0
255.02899	5.7
256.03641	1.2
266.02197	1.2
269.00815	1.2
271.02249	1.0
273.03958	3.0
273.11203	1.0
283.02518	2.4
301.03534	100.0
302.03815	9.6
315.08743	1.3
315.12347	1.6
317.15942	1.2
417.25049	15.8
477.06580	7.6
477.13171	1.8
477.20044	2.0
478.07007	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07848	0.8
55.01753	2.6
57.03332	2.5
58.00471	1.4
59.01255	91.3
60.01595	1.1
61.05797	0.7
63.02277	1.8
65.00201	5.4
69.55710	6.8
71.01257	28.4
72.99196	2.5
73.02834	6.0
83.01257	7.4
85.02833	14.8
87.00764	2.1
89.02325	16.2
90.67117	0.8
93.03348	1.8
95.01279	3.1
97.02864	1.1
99.00775	4.3
101.02325	23.7
103.00272	1.0
104.19434	0.8
107.01289	8.9
109.02843	5.1
113.02341	13.3
119.03394	7.2
121.02839	7.0
123.00776	3.6
125.02349	12.2
129.32520	0.9
135.00839	0.9
139.03859	1.8
143.03407	2.7
148.01659	1.0
148.05278	4.5
148.06210	1.1
149.02357	1.5
151.00287	35.4
151.01521	2.0
152.00638	0.9
159.02895	2.3
159.04440	1.1
161.04491	15.9
163.00294	5.0
163.07536	1.1
165.01759	1.0
167.03317	0.8
169.01331	12.6
178.99803	15.2
179.05510	4.8
183.04456	1.1
187.03996	1.3
188.04247	0.9
190.99910	1.0
191.01752	1.0
201.05484	1.8
208.97557	0.9
211.03938	2.3
227.03441	1.8
229.05020	1.4
233.71655	0.8
243.02916	1.4
243.15926	0.8
245.04414	4.0
255.02931	5.6
255.19693	1.8
269.04587	2.3
270.05328	1.6
271.02722	1.0
272.03204	1.0
273.04041	3.2
283.02521	3.2
284.07092	1.3
285.04346	0.8
285.07703	4.4
300.10022	3.7
301.03537	100.0
302.03851	10.5
313.05737	4.7
315.08789	2.0
315.12384	5.5
331.08664	1.0
383.49194	1.0
417.24997	29.3
418.25220	3.3
439.25699	0.8
477.06689	10.1
477.14038	13.5
478.07138	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.1
57.03319	1.7
58.00473	2.8
59.01252	100.0
60.01582	1.0
65.45586	0.4
69.03328	1.3
71.01256	32.6
72.01602	0.6
72.99183	3.7
73.02818	14.9
75.00748	1.8
78.95793	0.6
81.03323	0.5
83.01254	4.5
84.92454	0.4
85.02821	11.7
85.99972	1.5
87.00755	8.9
87.04382	2.1
89.02319	25.9
90.02628	0.4
95.01276	1.5
97.02837	1.1
98.20535	1.4
99.00777	1.7
99.04411	0.7
101.02324	31.5
102.02692	0.6
103.03886	6.7
107.01220	0.6
109.02836	0.8
113.02333	12.9
113.43615	0.4
115.03894	3.7
119.03394	13.3
119.04246	0.7
121.02878	0.7
125.02317	2.4
127.03923	0.9
131.03400	10.9
131.04379	0.6
143.03410	13.6
145.04956	2.3
149.04422	0.6
151.00276	1.8
152.99554	0.4
161.04485	3.1
163.06030	20.4
169.01366	1.1
179.05554	3.7
185.11807	0.4
189.03888	0.5
203.05537	0.7
204.72330	0.4
205.07109	20.2
206.07526	1.0
247.08214	5.9
247.10602	0.5
269.08218	0.5
289.16672	1.5
301.03506	3.7
435.22330	21.8
436.22919	2.2
447.18295	0.8
459.11737	0.5
477.13840	0.9
477.24057	1.9
478.19400	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.1
59.01253	84.6
60.01571	1.1
63.02275	2.0
65.00192	3.6
69.42854	2.5
69.43288	1.9
71.01258	6.6
72.99206	0.6
73.02834	0.9
75.00761	1.0
82.19197	0.5
83.01261	3.1
85.02823	3.2
87.00773	1.2
89.02326	1.5
93.03337	1.9
93.30038	0.5
95.01300	0.7
99.00764	1.2
101.02348	1.4
103.00269	1.0
106.36435	0.5
107.01278	7.1
107.04932	0.9
108.02063	0.7
109.02847	5.7
113.02340	3.2
119.03437	0.6
119.04926	1.1
121.02839	8.3
123.00757	0.9
124.01510	0.5
125.02369	2.8
128.90402	0.4
129.01854	0.6
135.00774	0.6
135.04422	1.0
139.03900	1.3
145.02779	0.5
149.02370	2.0
149.05959	1.0
151.00278	27.4
151.03876	0.6
152.00700	1.1
159.04425	0.5
161.02333	0.9
161.04471	1.4
163.00278	4.3
163.03908	1.8
164.00943	0.5
164.04709	1.0
169.01337	2.8
173.06024	0.8
175.02376	1.7
175.03831	1.0
178.99786	12.6
183.04399	1.1
185.05969	0.6
186.56181	0.5
187.03987	0.8
189.05571	0.6
190.99889	0.6
201.05457	1.3
211.03944	1.2
212.04715	0.6
213.05402	0.6
214.06259	0.5
218.98309	0.5
227.03445	2.2
229.05031	2.1
231.03000	0.6
243.03044	0.7
245.04588	3.7
255.02963	6.0
256.03671	0.7
257.04547	1.4
269.08130	3.1
270.05466	2.7
270.08148	0.7
271.02368	1.0
273.04047	2.4
273.07635	4.8
280.28552	0.6
283.02545	2.3
284.03146	0.6
285.07739	4.4
300.02756	1.6
300.06082	0.5
300.09979	2.0
301.03531	100.0
302.03873	10.4
315.05231	0.8
315.08752	4.4
315.12396	14.3
316.09155	0.7
316.12653	1.1
345.14401	0.9
417.25177	2.8
477.06699	10.4
477.13916	3.4
478.07184	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12353	0.9
54.53072	1.0
57.03328	1.2
59.01254	28.3
63.02248	1.7
65.00185	4.1
69.03299	1.4
71.01260	4.7
73.02814	1.3
76.86027	1.1
78.95779	28.4
83.01253	3.3
85.02838	3.0
89.02312	1.6
93.03324	1.3
95.01231	1.1
99.00768	1.9
101.02331	1.8
107.01277	5.8
109.02814	3.3
109.06461	1.5
110.98422	19.0
111.08035	17.3
112.06987	1.1
113.02328	4.5
118.99562	1.2
121.02835	9.3
125.02300	1.1
151.00284	28.0
151.11266	1.3
152.00557	1.7
152.99384	1.1
153.01723	1.1
153.12788	1.4
161.05975	3.5
163.00253	3.3
163.03900	1.3
167.01070	20.7
169.01318	1.5
169.12271	6.7
178.99782	10.1
181.12241	1.8
183.13914	1.3
185.02145	9.8
189.05638	1.8
197.11768	89.0
198.12109	4.5
199.13235	2.2
201.05399	1.3
211.03970	2.1
211.13382	14.2
227.03534	1.8
227.12918	1.7
229.04892	1.9
239.03481	5.1
245.04550	4.9
255.02827	3.6
257.11777	1.9
258.12607	1.5
263.20139	3.5
265.18127	2.3
267.02832	2.2
273.04172	2.3
274.86386	1.6
283.02628	2.5
291.19647	18.7
292.19974	1.7
301.03540	100.0
302.03906	9.4
302.27335	1.1
309.20715	53.6
310.21112	5.3
373.20187	2.0
397.97079	1.2
477.06668	7.3
477.22540	54.9
478.22775	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	477.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
65.47453	2.0
65.84385	1.9
71.01160	3.5
71.01476	2.7
78.02171	2.0
78.95782	12.4
83.98711	2.1
108.02048	43.7
112.10536	1.9
118.15550	2.1
123.03529	4.4
123.04411	70.8
130.52827	1.9
133.02898	2.4
135.41002	2.2
151.00253	2.5
152.99483	8.2
235.03928	7.7
249.05600	2.4
255.23537	3.0
265.05020	23.7
267.17709	2.9
279.06635	3.8
281.24866	3.2
301.03650	12.0
309.08990	6.2
322.09982	5.2
323.07016	8.9
324.07904	5.6
325.08569	10.0
325.12296	7.0
327.10217	14.2
337.08569	2.9
338.09344	3.5
339.10223	38.5
340.10635	6.9
353.11850	9.3
359.12674	3.5
361.15787	2.2
371.12814	10.0
413.15378	13.1
429.14944	59.7
430.15683	66.9
431.16040	9.3
445.18088	100.0
445.24231	5.3
446.18378	13.3
477.20462	41.6
478.20959	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	477.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12353	0.9
54.53072	1.0
57.03328	1.2
59.01254	28.3
63.02248	1.7
65.00185	4.1
69.03299	1.4
71.01260	4.7
73.02814	1.3
76.86027	1.1
78.95779	28.4
83.01253	3.3
85.02838	3.0
89.02312	1.6
93.03324	1.3
95.01231	1.1
99.00768	1.9
101.02331	1.8
107.01277	5.8
109.02814	3.3
109.06461	1.5
110.98422	19.0
111.08035	17.3
112.06987	1.1
113.02328	4.5
118.99562	1.2
121.02835	9.3
125.02300	1.1
151.00284	28.0
151.11266	1.3
152.00557	1.7
152.99384	1.1
153.01723	1.1
153.12788	1.4
161.05975	3.5
163.00253	3.3
163.03900	1.3
167.01070	20.7
169.01318	1.5
169.12271	6.7
178.99782	10.1
181.12241	1.8
183.13914	1.3
185.02145	9.8
189.05638	1.8
197.11768	89.0
198.12109	4.5
199.13235	2.2
201.05399	1.3
211.03970	2.1
211.13382	14.2
227.03534	1.8
227.12918	1.7
229.04892	1.9
239.03481	5.1
245.04550	4.9
255.02827	3.6
257.11777	1.9
258.12607	1.5
263.20139	3.5
265.18127	2.3
267.02832	2.2
273.04172	2.3
274.86386	1.6
283.02628	2.5
291.19647	18.7
292.19974	1.7
301.03540	100.0
302.03906	9.4
302.27335	1.1
309.20715	53.6
310.21112	5.3
373.20187	2.0
397.97079	1.2
477.06668	7.3
477.22540	54.9
478.22775	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	477.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02258	2.0
59.01252	92.8
67.80512	2.1
70.15136	10.9
71.01259	21.8
72.99216	2.7
73.02802	6.3
75.00744	2.2
77.64494	1.9
80.85270	1.8
83.01292	2.8
85.02822	9.3
89.02327	13.7
99.00741	4.4
101.02334	11.9
107.01279	3.3
113.02332	9.1
113.23757	1.9
119.04913	8.8
121.02856	11.3
123.00779	2.0
125.02328	13.1
133.04970	3.8
138.05536	4.7
151.00255	5.6
153.01862	5.0
161.04453	22.3
163.03925	4.2
166.06267	59.5
169.01338	9.7
179.35275	2.3
181.08626	100.0
182.09030	3.0
214.05948	2.1
233.06754	3.2
235.08316	9.4
241.17747	2.5
293.08749	4.2
296.36038	2.0
301.03653	14.9
313.05539	5.1
356.14984	2.6
414.14349	2.1
417.17557	6.4
477.10336	15.3
477.16260	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	477.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.9
57.03333	2.0
58.00481	0.5
59.01256	13.2
63.02275	2.8
65.00195	4.0
65.03828	0.7
67.01756	0.3
68.99680	0.8
69.03322	0.3
69.29896	3.7
71.01257	12.8
72.99181	3.0
73.02815	1.5
75.00744	8.3
77.34731	0.4
83.01261	4.3
85.02829	14.7
87.00748	4.2
89.02326	3.6
91.01811	0.5
93.03352	1.8
95.01278	3.0
97.78956	0.4
99.00763	6.2
101.02316	1.2
103.00261	1.7
107.01276	7.8
107.04907	7.0
108.02058	0.5
109.02843	6.2
111.00761	1.2
113.02338	14.6
114.15481	0.3
115.00246	1.4
117.01821	1.3
117.03279	0.4
119.01277	0.7
119.03388	0.4
119.04959	0.5
121.02847	10.1
121.03650	0.3
122.03635	2.8
124.01560	0.7
125.02325	1.3
129.01802	1.9
131.03407	0.5
133.02850	0.5
135.00806	0.5
135.04405	0.6
137.02336	1.1
139.00203	0.6
139.03885	0.6
147.04361	0.4
149.02364	1.4
150.03035	0.4
151.00279	28.9
151.03915	9.2
152.00644	1.3
157.01286	0.5
159.04469	1.1
161.02394	0.5
161.04430	0.4
163.00281	3.9
163.03922	0.8
164.00769	0.4
164.38106	0.4
165.12756	4.5
167.68767	0.4
169.01347	3.0
173.02353	0.4
173.06041	0.6
175.02461	1.9
175.03828	0.7
178.99786	13.1
180.00110	0.8
183.04483	0.9
183.13834	44.4
184.14197	2.6
187.03874	1.0
193.01416	0.7
193.03491	0.5
199.04016	0.5
201.05473	1.2
203.03503	0.4
205.07088	0.7
209.11794	0.7
211.04022	2.0
212.04672	0.5
215.03551	0.4
227.03448	2.3
227.07034	0.5
227.12825	3.4
228.04039	0.5
229.05072	1.9
229.08636	8.0
230.08878	0.7
239.03426	0.6
240.04199	0.6
243.03078	0.5
245.04515	2.6
249.06197	2.9
255.02936	3.9
255.06624	0.7
256.03534	0.7
257.04507	0.8
266.02109	0.6
267.07251	3.7
271.02545	1.2
273.04117	2.2
273.07678	8.3
274.08032	0.6
283.02527	2.4
292.66611	0.4
301.03531	100.0
301.16556	3.0
302.03894	9.4
315.08649	0.4
315.12323	0.5
352.10272	0.4
415.19775	4.0
417.24933	0.8
433.20410	0.7
435.12515	0.5
459.18478	1.4
477.06674	7.6
477.13824	7.4
477.19785	46.0
478.06808	1.1
478.14124	1.2
478.20132	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	477.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34037	0.7
56.54700	0.6
57.03328	1.0
57.56010	0.7
59.01251	9.6
65.00184	1.1
66.33238	0.7
67.01743	1.1
69.03320	1.8
71.01254	9.9
72.99191	4.6
75.00757	3.3
79.01733	1.2
85.02821	4.1
85.53568	0.7
87.00755	1.7
89.02327	5.1
90.01847	1.2
90.99751	1.0
91.00240	5.5
95.01278	1.6
97.02847	1.1
101.02357	3.8
107.01270	9.9
109.02830	1.0
111.00758	1.8
113.02329	5.0
119.04924	77.8
119.50938	0.8
120.05255	3.4
121.02878	1.6
123.00778	12.6
125.02347	54.4
126.02675	1.5
129.06830	0.7
133.06494	1.2
137.02438	1.4
139.00304	3.9
139.03880	0.8
140.01051	2.8
141.01871	1.6
143.03426	0.8
151.00304	10.5
153.09146	1.1
161.04503	1.3
163.00203	1.0
163.03931	30.9
164.04256	2.0
168.00533	3.3
169.01347	70.5
170.01706	2.6
178.99730	1.0
179.05583	1.8
190.45966	0.7
205.12276	1.0
211.02454	1.5
237.11456	0.8
241.03589	1.3
242.11772	0.9
255.03098	0.9
267.80328	0.9
287.02084	1.2
293.85605	0.7
301.03525	12.0
309.59360	0.8
313.05649	46.3
314.06146	3.7
315.01422	2.6
433.11447	3.1
477.10403	100.0
478.10983	14.2
478.18546	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67875	0.6
55.01768	0.9
57.03332	4.2
59.01252	29.0
63.02255	2.7
65.00191	5.5
68.99684	0.9
69.03331	1.3
69.33361	7.3
71.01257	21.3
72.01588	0.8
72.99182	6.6
73.02809	2.9
75.00748	15.9
83.01250	4.0
85.02827	24.3
87.00749	5.9
89.01804	0.9
89.02310	5.4
91.01754	0.7
93.03329	1.4
95.01261	4.3
99.00757	9.7
101.02332	1.2
103.00261	2.0
103.27138	0.7
107.01279	9.8
109.02849	5.2
111.00773	1.6
111.08028	0.8
111.80320	0.7
113.02332	22.4
114.02705	0.9
115.00240	2.8
117.01856	3.4
121.02840	7.8
124.01546	0.7
125.02338	2.7
129.01828	2.5
139.00327	0.7
139.03944	0.8
149.02367	0.9
151.00276	30.7
152.00577	0.8
157.01312	1.3
159.04427	0.9
161.02428	0.8
163.00270	5.0
163.03876	0.8
164.00993	0.8
165.12776	13.4
169.01297	2.8
175.02383	4.2
178.99789	13.3
180.00101	0.9
183.04515	1.3
183.13837	86.7
184.14157	5.9
187.03931	1.5
190.99890	0.7
192.00578	0.9
201.05492	1.0
203.03474	0.8
209.11827	1.7
211.03963	1.9
227.03497	1.9
227.12863	6.0
229.05022	1.5
239.03529	0.9
245.04579	4.0
249.06154	13.8
250.06473	0.8
255.03043	4.3
257.04468	0.8
267.07190	13.1
268.07657	0.9
271.02591	1.0
273.04056	2.8
283.02512	2.7
301.03528	100.0
301.16647	6.6
302.03860	9.0
317.98019	0.7
415.19781	5.8
417.24860	0.8
433.20718	1.2
459.18719	4.2
477.07251	9.1
477.19769	95.6
478.07101	1.3
478.19998	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22811	1.7
51.27370	1.6
52.14834	1.3
55.01748	2.0
56.12568	2.0
58.00459	4.4
59.01251	89.6
60.01571	2.3
64.14809	1.5
66.03205	1.5
69.03320	7.2
71.01255	80.5
71.57072	3.1
72.99178	4.0
73.02823	14.5
75.00733	4.3
75.01131	1.7
81.03329	7.7
82.11220	1.5
83.01250	6.6
85.02821	10.1
87.00734	2.6
89.02317	100.0
95.01273	3.9
97.02825	13.5
99.00744	15.3
99.04390	1.8
101.02321	21.0
113.02322	8.9
115.03185	1.5
115.03890	9.5
119.03425	2.6
119.04916	12.6
121.02835	3.9
122.17413	1.8
123.00777	3.0
123.04395	5.0
125.01431	3.4
125.02341	61.3
126.02666	2.6
127.03848	2.2
131.03415	13.3
134.03670	1.6
137.99495	3.8
139.00336	2.2
143.03368	5.0
149.04443	13.6
151.00288	2.1
153.01837	47.5
161.04431	5.5
163.03908	5.5
166.06279	18.3
168.04184	26.3
168.05528	3.0
169.01331	11.5
181.08649	22.9
183.06511	7.2
191.05507	11.8
233.06627	49.3
234.07094	2.0
293.08762	30.0
294.08936	2.0
313.05734	8.0
477.09946	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	477.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	22.9
67.32873	0.5
67.41094	0.5
70.15234	1.6
70.15652	0.9
71.01247	1.1
71.33972	0.4
75.00751	0.8
78.95786	0.8
80.02547	1.1
83.01244	0.6
85.02859	0.5
86.34481	0.5
96.95892	8.8
98.19817	0.7
107.01287	8.7
108.02069	7.7
118.94089	1.4
121.02846	1.3
123.00791	1.6
123.04424	0.8
124.01575	0.7
136.01570	20.7
149.02388	1.9
151.00304	1.7
152.99564	0.5
178.96255	1.0
178.99823	1.0
207.02655	0.5
221.98250	0.5
227.03380	0.7
239.07114	0.7
255.03012	1.8
255.10255	100.0
256.10617	8.3
283.02448	1.6
284.03113	1.1
297.04099	0.9
298.04785	2.9
299.05365	0.9
301.03549	6.0
302.03983	0.9
379.04385	0.7
435.13235	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1769
Annotation	Scorzodihydrostilbene D
Peak:m/z	Relative Intensity
59.01248	1.2
69.41394	3.9
71.01247	1.9
73.02821	1.0
79.50871	0.4
85.02823	1.0
86.65743	0.4
98.20114	1.8
101.02345	0.8
107.01268	0.6
113.02299	0.7
121.02837	3.1
123.00807	1.0
124.01534	2.6
125.02345	8.3
133.96609	0.4
135.04416	4.3
136.05199	0.6
146.03618	0.8
147.15280	0.5
148.01578	1.0
149.02364	7.0
149.05972	0.7
151.00267	2.0
160.07256	0.5
161.02400	0.5
161.04482	0.7
161.05832	0.5
161.15883	0.4
162.03169	0.5
163.03900	4.7
164.04707	6.3
169.39139	0.4
178.99838	0.9
197.06064	0.6
209.05952	0.9
214.06290	0.8
218.47514	0.4
225.05557	1.3
226.06392	0.8
227.03453	0.6
229.08667	1.2
238.06317	0.9
239.07114	0.5
242.05804	1.3
253.05099	3.3
254.05794	3.3
255.02914	1.8
268.07413	1.0
269.08185	27.0
270.05383	13.4
270.08456	2.0
271.05630	1.0
285.07684	30.9
286.08044	3.1
300.10013	15.8
301.03491	6.5
301.10434	1.5
302.03854	0.6
315.12390	100.0
316.12711	9.8
477.06711	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86224	0.2
59.01243	1.4
65.00189	0.3
70.30863	0.2
84.94421	0.3
85.02837	0.2
91.01762	1.7
92.15477	0.2
93.46804	0.2
94.89487	0.2
98.20571	0.6
104.67670	0.2
132.02066	1.4
133.02859	0.5
135.00754	2.0
139.05457	0.4
143.29935	0.2
151.00299	0.3
153.01807	1.6
155.04912	0.9
161.02347	0.5
167.04922	2.3
169.02847	0.3
179.03409	0.4
182.03601	0.6
183.04414	3.8
184.05215	1.4
185.05890	0.2
194.05766	1.0
195.02733	0.5
195.04446	7.6
195.06218	0.3
196.04892	0.6
197.11726	0.7
199.03850	0.3
209.08177	1.8
210.03139	0.9
211.03951	11.3
212.04503	1.1
220.88535	0.2
222.02995	0.2
223.03947	3.7
224.04637	0.4
230.25259	0.3
239.03450	100.0
240.03906	8.3
250.02713	0.4
251.03374	0.4
252.04251	0.3
266.02182	0.8
267.02960	74.9
268.03674	29.1
269.04370	2.9
283.06036	0.4
293.04315	0.3
301.03558	1.6
309.20703	0.7
402.89502	0.3
423.68933	0.2
447.10764	0.8
459.10785	1.5
460.11411	0.3
477.11890	26.0
478.12122	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1402
Annotation	Lindleyin
Peak:m/z	Relative Intensity
55.01763	0.6
56.31179	0.4
57.03328	1.3
59.01252	8.4
63.02288	0.9
65.00204	1.9
67.01765	1.5
68.99696	0.7
69.03323	1.3
71.01257	8.4
72.99182	1.5
73.02831	1.3
75.00735	1.2
79.01765	1.2
81.03339	1.4
83.01273	2.6
85.02821	4.0
87.00753	1.6
89.02351	1.3
93.03358	1.1
95.01247	2.1
97.02830	1.4
98.19836	0.9
99.00754	1.1
101.02333	3.0
105.01842	0.7
107.01273	14.7
107.04887	0.7
109.02843	2.7
109.99953	0.4
111.00765	3.7
113.02317	3.5
116.92723	0.5
118.92557	0.6
119.04897	0.5
121.02845	3.4
122.03651	0.8
123.00772	15.1
123.01668	0.8
123.04420	1.6
124.01560	1.3
125.02341	58.0
126.02702	1.8
127.00302	1.0
135.04410	0.6
136.98691	1.8
137.02351	1.0
139.00272	5.8
139.03882	1.0
140.01056	5.3
141.01863	2.0
146.22951	0.4
146.99445	0.4
147.04420	0.4
148.05206	27.3
149.02345	1.2
149.05994	2.5
151.00282	20.2
151.03912	1.0
152.00682	0.8
153.01871	0.9
154.99739	0.7
159.04323	0.5
161.02324	0.4
161.04453	0.6
163.00291	1.7
163.07556	8.1
164.01013	0.4
164.07808	0.4
165.01926	0.9
167.03426	4.1
168.00560	4.3
169.01343	64.9
170.01671	1.7
178.99791	5.3
179.03419	0.9
179.10759	0.6
181.04947	0.5
183.02925	1.7
183.13823	1.6
187.03955	0.7
191.03448	0.6
197.11786	1.3
201.05482	0.7
211.02345	1.1
223.02495	0.4
224.19446	0.4
227.03584	1.0
229.04953	0.8
229.08656	1.3
233.87813	0.4
241.03441	1.0
245.04539	1.1
253.03639	0.8
255.02975	1.4
256.03571	0.7
269.00949	0.7
273.04248	0.9
273.07693	5.6
283.02448	1.0
284.03223	0.7
297.06741	0.5
298.08234	0.4
299.05646	0.7
301.03537	37.9
302.03900	3.5
313.05667	20.0
314.06021	1.3
315.12466	0.7
327.07297	2.0
417.24768	1.0
477.13983	100.0
478.07596	0.6
478.14261	13.4
478.21063	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1191
Annotation	Phelligridin F
Peak:m/z	Relative Intensity
59.01242	6.0
59.07996	0.5
70.92941	1.1
70.93266	1.0
71.01250	2.8
73.02811	1.0
75.00750	0.8
85.02822	1.3
89.02332	1.0
91.01756	5.5
95.01213	0.8
101.02332	1.7
104.02535	2.7
109.02857	0.8
113.02325	1.6
119.03435	0.7
121.02845	0.7
132.02049	7.6
133.02844	38.6
134.03197	1.5
135.00769	10.6
149.02386	0.7
151.00267	2.5
153.01830	8.2
161.02316	0.9
161.04330	0.8
183.04474	1.3
195.04428	0.6
197.06061	0.9
198.03206	0.8
201.05550	1.1
209.08089	1.0
211.03900	3.5
224.04683	1.0
225.05568	2.5
227.03464	2.4
239.03458	62.7
240.04166	22.8
241.04860	2.3
265.05182	0.9
267.02963	81.3
268.00592	1.4
268.03732	84.5
269.04514	100.0
270.04886	7.2
282.05148	0.8
283.06064	1.0
301.03488	5.2
311.05609	0.6
315.18152	0.7
447.10663	1.5
459.10760	2.7
477.11871	5.7
477.28751	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48233	0.6
59.01255	3.6
63.11367	0.5
66.14517	0.6
70.43369	1.8
71.64632	0.5
76.43806	0.5
78.95800	2.2
79.22779	0.5
91.01790	2.2
104.02580	1.5
108.02077	1.1
109.02805	1.2
124.61311	0.6
131.01253	0.9
132.02077	12.1
133.02861	5.4
135.00790	3.4
147.00687	0.6
149.02335	1.5
151.00316	0.8
151.03914	0.8
152.99503	1.9
153.01842	2.3
155.04951	0.8
159.00792	2.4
161.02357	2.4
164.04684	0.8
165.05522	0.7
167.04964	1.7
176.04700	1.5
179.03398	3.4
182.03604	0.6
183.04440	4.3
184.05231	4.3
191.07130	0.6
194.05827	3.1
195.04480	5.3
195.06328	0.9
196.05147	1.2
198.03081	0.9
203.40561	0.6
203.50391	0.6
209.08165	3.7
210.03189	1.0
211.03960	20.7
212.04579	3.6
223.03938	3.7
224.04707	2.5
225.05489	0.8
235.03954	0.6
237.05568	0.7
239.03479	82.4
240.04150	20.7
241.04616	1.4
251.03413	4.1
252.04140	1.1
265.05078	3.2
266.73859	0.7
267.02994	95.8
268.03741	100.0
269.04425	20.1
270.04877	0.9
283.06207	1.7
293.04556	1.3
301.03552	2.3
309.20734	0.9
401.06830	0.9
447.10867	14.8
448.11166	1.6
459.10931	11.8
460.10867	1.0
477.12024	17.8
478.12341	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	17.2
61.98702	1.0
63.02269	1.3
64.07594	0.6
65.00173	3.2
69.37820	5.9
71.01243	3.6
73.02818	1.0
74.04976	0.7
78.95787	7.7
83.01258	2.5
85.02813	2.1
89.02307	0.9
91.01752	1.8
93.03335	1.4
95.01300	0.9
103.00282	0.7
104.02569	1.6
107.01277	5.0
108.02083	0.8
109.02842	5.2
110.98424	1.5
111.08004	0.7
113.02319	2.2
119.01201	0.7
121.02854	6.6
125.02268	0.7
131.01248	1.4
132.02077	10.1
133.02824	1.4
135.00766	3.9
149.02351	0.9
150.03069	1.0
151.00291	23.1
151.03882	1.3
152.99492	4.9
153.01819	1.6
155.04816	0.8
159.00780	2.0
159.04491	0.7
161.02350	3.0
161.05995	2.5
162.02998	1.1
162.06796	0.9
163.00308	3.2
163.03899	0.8
163.07491	1.0
165.05437	1.6
167.00967	0.9
167.04929	2.2
169.01334	2.1
175.03917	1.0
176.04756	1.0
177.01918	0.8
178.99808	9.9
179.03339	3.2
180.04144	2.4
182.03711	1.3
183.04395	5.1
183.13823	0.9
184.05205	2.3
185.02249	2.1
185.05916	0.8
187.03925	1.0
194.05806	3.1
195.04439	5.3
195.06534	6.4
197.11731	4.0
199.03934	1.2
201.05519	1.2
205.05009	1.0
209.08186	2.3
211.03978	17.2
211.13373	4.5
212.04536	3.0
221.85156	0.7
223.03996	3.2
224.04625	1.2
227.03529	1.9
229.04942	1.7
239.03479	97.0
240.04115	17.8
245.04512	2.3
251.03490	2.7
255.03020	4.2
257.11972	1.0
258.12701	1.2
265.05103	1.3
266.02216	1.2
267.02997	100.0
268.03745	77.0
269.04272	6.4
271.02521	0.8
273.04047	1.9
276.13794	0.8
282.05304	4.0
283.02475	2.0
283.06082	4.2
291.19586	2.4
301.03546	68.0
302.03952	5.9
309.20734	4.3
315.12402	1.2
330.12079	0.8
373.20175	1.7
447.10837	2.7
459.10886	4.3
477.06116	6.3
477.12973	4.6
477.21982	3.9
478.06870	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1037
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
50.94152	1.2
55.14223	1.1
57.03325	1.1
59.01242	9.9
65.00202	1.5
69.57243	8.8
71.01264	2.6
75.00749	2.4
83.01280	2.2
85.02845	1.9
91.01752	1.2
98.19877	2.2
101.02348	2.1
107.01267	3.2
109.02847	1.3
113.02374	1.9
121.02826	2.4
124.01460	1.7
125.02346	11.0
145.02840	2.3
149.02333	3.4
149.99449	1.5
151.00285	14.3
153.01819	1.5
163.00259	3.0
168.00520	2.5
169.01347	9.4
171.04424	1.7
178.99812	5.9
187.03874	1.4
199.03949	5.0
201.01903	2.0
203.03471	3.8
215.03462	6.9
227.03493	4.3
231.03012	2.1
242.02174	9.4
243.02957	44.9
244.03403	3.8
257.00528	1.1
257.04541	13.0
258.04932	2.3
259.02408	6.0
270.01666	11.5
271.02457	53.8
272.02966	4.7
285.04031	22.6
285.07117	1.5
286.04715	6.1
287.01944	9.1
299.02100	9.1
300.02774	4.7
301.03546	20.0
314.04309	39.5
315.01462	19.0
315.05023	11.9
315.08908	3.7
316.02151	8.0
317.02539	1.7
330.03772	21.8
331.00922	2.4
331.04489	19.9
477.10428	100.0
477.30588	5.0
478.10901	11.6
502.57272	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56242	0.4
57.03315	0.4
59.01253	2.9
63.02269	4.0
65.00197	6.9
71.01254	3.1
72.99193	0.6
75.00739	0.4
83.01266	5.1
85.02824	2.4
87.00771	0.5
91.01778	0.9
93.03336	2.5
95.01279	0.8
98.19815	0.8
99.00768	1.1
103.00272	0.7
107.01276	14.0
108.02044	0.6
109.02836	7.9
113.02352	2.0
119.01283	1.3
121.02853	12.8
129.01826	0.4
135.00748	1.1
137.02271	0.4
139.03912	1.5
143.04932	0.5
145.02904	0.4
146.03644	0.5
147.55722	0.5
148.01607	0.8
149.02353	2.1
151.00284	47.9
152.00609	0.6
155.04950	0.5
159.04433	1.5
161.02321	0.7
163.00293	8.3
163.03935	0.8
164.01146	0.6
165.01938	0.4
167.04958	0.7
169.01361	2.9
171.04448	0.6
172.05319	0.4
173.06010	1.1
174.03084	0.5
175.02403	1.1
175.03937	1.0
178.99789	18.5
183.04393	1.9
185.06009	1.0
187.03905	2.1
190.99818	0.7
192.00597	0.6
193.01274	0.9
199.03902	0.6
201.05577	2.3
203.03490	1.0
211.03951	2.9
212.04698	0.5
213.01918	0.9
214.02652	0.8
215.03543	0.8
217.04893	0.5
226.02760	0.5
227.03464	4.0
228.04001	0.6
229.05028	3.0
239.03484	1.4
240.04346	0.5
243.02953	1.5
245.04543	5.8
255.02986	9.0
256.03647	1.2
257.04520	0.7
266.02194	0.6
271.02518	1.9
272.02985	0.9
273.04077	3.7
282.01712	0.4
283.02472	3.2
284.03137	0.5
300.02679	1.0
301.03540	100.0
302.03891	4.8
348.18442	0.4
477.06763	9.0
478.07428	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50769	0.5
59.01241	1.6
63.02264	2.5
65.00188	5.5
71.01258	3.3
77.19789	0.6
83.01250	3.2
85.02820	1.8
86.19351	0.6
87.00735	0.7
93.03339	2.0
95.01291	1.0
97.03442	0.6
99.00743	0.9
107.00613	1.1
107.01274	11.7
109.02822	5.6
113.02320	2.0
119.01231	0.7
121.02837	9.8
121.92970	0.5
124.63575	0.6
131.02130	0.5
135.00812	1.0
137.02280	0.6
139.03847	1.2
139.45551	0.6
147.46815	0.5
149.02332	2.0
151.00272	32.7
152.00636	0.8
159.04411	1.7
162.31935	0.7
163.00267	5.5
163.03831	0.7
164.00896	0.8
169.01315	2.1
173.06024	0.6
175.02440	1.2
175.03926	1.0
178.99777	12.5
179.01277	1.0
183.04395	1.2
187.03955	1.5
192.00609	0.6
193.01392	0.7
199.03868	0.7
201.05476	1.9
203.03523	0.8
205.05103	0.6
211.03929	2.5
227.03441	2.7
228.04335	0.7
229.05077	2.0
239.03513	0.9
243.03027	0.7
245.04561	4.0
255.03036	6.8
256.03629	0.7
257.04697	0.8
266.02023	0.7
271.02591	1.0
273.03918	2.9
283.02542	2.5
301.03519	100.0
302.03845	7.9
353.39621	0.8
477.06708	9.9
478.06976	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	1.6
64.32629	0.7
67.01765	0.8
68.99652	0.7
69.03323	1.3
69.83724	2.7
69.84138	1.3
71.01255	3.9
72.99191	0.7
75.96236	0.6
78.08208	0.6
79.01790	1.2
85.02835	2.4
93.16406	0.6
95.01276	2.6
101.02345	1.5
107.01266	9.1
111.00784	1.3
113.02333	1.6
119.04916	84.5
120.05264	3.2
123.00777	12.9
124.01532	0.9
125.02338	58.9
126.02655	2.0
139.00232	3.4
140.01064	2.3
141.01868	2.3
151.00279	9.4
163.03918	32.8
164.04272	1.3
168.00536	3.0
169.01337	77.3
170.01698	2.7
179.03206	0.7
211.02463	2.5
223.02420	0.7
229.70500	0.7
241.03513	1.4
253.03522	0.7
289.20303	0.7
301.03595	0.8
307.03329	0.7
313.05649	49.2
314.06232	3.3
397.37689	0.7
433.11407	2.1
477.10361	100.0
478.10681	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	477.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15846	0.5
59.01249	4.3
59.40228	0.6
59.82284	0.5
65.03796	0.6
67.01737	1.1
69.03310	0.9
69.52811	4.4
71.01255	4.3
72.99163	0.7
79.01794	0.6
81.03321	1.7
83.01237	0.8
85.02844	1.3
89.02306	0.9
93.03312	2.2
95.01241	1.9
97.02822	1.0
101.02312	1.9
107.00623	0.6
107.01276	7.4
109.02836	1.5
111.00745	1.8
113.02316	1.6
119.04918	61.9
120.01114	2.0
120.05282	2.5
121.02831	1.3
123.00770	10.4
123.04427	8.6
124.01511	1.2
125.02337	44.8
126.02653	1.3
127.00195	0.5
137.02315	1.6
139.00269	2.1
139.03831	0.7
140.01018	2.0
141.01810	1.6
145.02858	0.7
147.04451	0.6
148.01552	1.5
149.02330	2.0
151.00273	8.1
151.03867	0.7
153.01843	0.8
161.02332	0.7
163.03917	24.7
164.04301	1.3
165.01892	1.4
165.05463	2.9
167.03377	2.8
168.00578	2.7
169.01341	58.2
170.01637	2.3
177.05565	0.5
179.03427	0.9
191.03319	0.8
193.01271	1.3
199.23315	0.5
211.02440	1.4
215.03435	0.9
223.02400	0.9
227.03421	1.3
242.02142	1.1
243.02953	2.4
253.03398	0.7
255.02954	1.0
255.06294	1.4
257.04456	2.1
268.03549	0.6
271.02460	8.8
271.09683	2.1
272.02887	1.0
272.06580	0.5
273.07669	3.8
285.04092	2.8
286.04727	2.1
287.01999	3.7
299.01984	1.7
301.03464	3.2
313.05676	25.5
314.04132	7.0
315.01407	2.0
315.05011	6.0
315.08542	1.2
433.11444	8.3
434.11749	0.8
459.09399	2.8
477.10242	100.0
478.10529	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	475.255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69655	0.3
59.01255	100.0
60.01594	1.0
69.37389	1.2
69.37811	1.9
71.01249	3.0
73.02836	1.0
75.00765	0.5
83.01286	0.6
84.44333	0.3
85.02843	1.6
85.58753	0.3
87.00766	1.4
89.02316	1.6
89.15192	0.3
91.81161	0.3
99.00803	0.3
101.02317	2.1
113.02332	1.6
119.03456	0.7
143.03424	0.6
161.04504	1.5
163.45357	0.3
196.39232	0.3
202.06195	0.4
208.10724	0.3
217.33340	0.3
253.04955	0.4
254.17700	0.5
271.06210	0.7
287.08795	0.3
299.01978	0.4
299.43317	0.4
339.08682	0.5
357.13455	0.7
369.13443	0.5
393.87570	0.4
415.23209	0.5
416.23190	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	0.5
64.12510	0.3
78.95777	59.7
79.34902	0.3
86.16870	0.3
86.74398	0.3
96.96836	4.5
98.20559	0.6
109.02796	0.3
121.02855	0.4
140.01059	2.2
149.48393	0.2
151.00266	1.2
152.99498	9.6
158.23509	0.3
160.88232	0.3
162.23001	0.3
171.00546	9.5
178.99838	0.5
196.03778	1.1
214.04785	3.3
226.29774	0.3
229.29753	0.3
261.22247	0.4
279.23294	100.0
280.23633	9.1
301.03543	3.6
316.61884	0.3
398.18060	0.3
402.24170	0.8
403.24326	0.4
406.28851	0.3
476.27826	35.8
477.28189	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	476.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96281	0.4
71.06950	1.0
76.01884	0.3
78.95776	100.0
80.38775	0.3
91.14615	0.3
96.96842	7.1
109.49373	0.4
110.71838	0.3
117.54820	0.4
140.01102	2.3
146.91286	0.3
150.97993	0.4
151.00294	0.3
152.99489	16.5
153.00751	0.8
171.00552	15.9
196.03726	2.9
212.93831	0.3
214.04785	1.0
237.53444	0.4
279.23282	26.4
280.23691	1.8
301.03461	1.3
402.23834	1.7
476.27811	59.8
477.28149	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	477.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31631	0.3
57.01823	0.4
57.03315	0.4
59.01252	2.7
63.02262	1.3
65.00184	2.1
67.51912	0.3
69.89626	2.2
71.01251	3.5
75.00739	0.4
83.01253	1.6
85.02805	3.3
87.00761	1.0
93.03331	2.1
95.01257	1.5
98.19933	0.7
99.00744	1.3
103.00229	0.8
107.01279	4.5
109.02811	2.6
111.00771	1.0
113.02325	4.1
115.00276	0.6
117.01836	0.4
117.03377	0.5
119.01268	0.4
121.02840	3.6
123.00797	0.4
124.01633	0.4
125.02362	0.5
133.02859	0.6
135.00743	0.4
139.00322	1.0
147.04462	0.5
149.02339	0.8
151.00281	14.8
152.01025	0.7
155.04964	0.6
159.04420	1.1
163.00311	2.5
164.01086	0.5
169.01299	0.7
171.04451	0.5
173.06010	0.8
175.02428	0.5
178.99791	7.4
182.03618	0.6
183.04422	1.6
187.03934	1.2
201.05475	2.6
211.03951	2.6
217.05006	0.6
227.03439	2.1
228.04112	0.5
229.05055	2.5
239.03506	1.6
243.03065	0.5
245.04526	3.6
255.02956	4.5
256.03668	0.6
257.04572	1.2
259.02490	0.4
271.02493	1.2
273.04010	2.1
278.05252	0.4
283.02460	3.2
284.03302	0.5
300.02585	0.5
301.03528	100.0
302.03897	6.6
359.93188	0.4
477.06772	6.8
478.07285	0.5
502.75333	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01589	1.1
71.01265	0.6
71.37462	0.8
73.02796	0.3
87.00772	0.4
98.12650	0.3
101.02311	0.7
101.76811	0.3
106.71743	0.3
113.02338	0.4
121.12531	0.3
124.20171	0.3
161.04593	0.3
165.05510	0.7
165.31038	0.3
166.88193	0.3
271.09857	0.8
339.08868	0.5
342.30896	0.4
357.13733	0.7
369.13406	0.6
476.34512	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.1
59.01252	100.0
60.01589	1.5
61.98709	1.0
70.89529	1.8
71.01259	7.3
72.99196	0.9
73.02808	2.8
74.76930	0.5
75.35146	0.5
83.01281	0.8
85.02816	3.2
87.00775	0.8
89.02327	2.8
91.95536	0.5
95.01272	0.7
97.02863	0.5
99.00742	0.9
101.02316	4.6
113.02317	3.6
119.03419	1.6
125.02364	1.5
133.27135	0.6
159.04250	0.8
161.04547	2.2
167.06093	1.0
169.01399	0.8
237.02014	0.6
271.02554	0.9
271.06055	1.0
274.12167	0.7
298.05002	1.1
299.01917	1.5
313.07361	2.6
355.21371	2.3
373.22369	8.0
374.22934	0.8
415.23386	8.6
416.12933	1.9
416.23880	1.4
475.13455	0.9
475.29065	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	475.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.5
59.01253	100.0
59.70666	0.4
60.01588	1.2
61.98711	1.2
71.01252	3.8
71.39674	0.6
71.40012	0.4
73.02832	1.0
75.00757	0.9
83.01270	0.4
85.02845	1.0
87.00752	0.7
89.02309	1.9
95.01334	0.5
99.00786	0.6
100.97363	0.3
101.02350	2.3
113.02344	1.2
125.02360	0.7
137.02306	0.5
161.04504	1.4
174.38684	0.4
211.17007	0.5
271.02472	0.7
273.11667	0.4
274.12183	0.9
299.02045	1.6
300.02466	0.5
355.21429	0.5
373.22360	3.8
415.23245	3.5
416.23972	0.7
475.29031	2.2
477.82965	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44769	2.7
57.03328	5.7
59.01251	23.2
62.59245	2.5
69.03350	3.2
71.01246	3.9
71.04925	2.5
77.47903	2.3
78.95776	35.9
81.03334	6.8
83.01253	7.9
83.04878	5.8
95.04889	7.2
97.02817	5.8
97.06459	8.3
98.20627	5.9
101.02306	3.7
102.73994	2.5
110.98411	27.5
123.04359	6.9
123.08048	4.8
125.09626	19.0
135.08060	5.1
137.09624	7.9
149.05960	4.3
151.11205	4.6
152.99559	3.4
162.64984	2.3
163.11205	17.6
165.09134	2.7
165.12752	12.9
167.01071	20.0
179.10730	2.7
181.12231	9.9
185.02156	26.8
185.11769	17.2
191.10701	10.8
191.14336	17.0
197.12057	2.5
207.10185	10.7
209.11766	98.5
210.12070	7.2
211.13307	3.6
225.11241	8.5
227.17984	3.0
241.67303	2.5
245.19096	41.1
246.19359	3.1
263.20071	4.3
271.17062	2.9
283.30542	2.6
284.03250	3.2
289.18094	100.0
290.18390	7.8
299.01880	4.4
307.19147	65.6
308.19464	6.9
333.40079	3.2
415.04105	2.7
430.06833	3.2
445.09219	7.1
460.11603	7.1
475.14673	3.6
475.20926	53.0
475.27023	5.5
476.21692	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
59.83602	0.2
60.01588	0.8
62.40237	0.2
69.41948	0.9
69.42370	1.5
71.01255	1.6
72.99196	0.3
73.02838	0.5
75.00747	0.5
85.02798	1.3
87.00724	0.3
89.02354	0.4
98.20016	1.1
101.02344	1.0
113.02338	0.7
119.03449	0.4
125.02356	0.9
161.04547	0.4
179.03531	0.3
188.66730	0.3
230.00290	0.2
234.31438	0.3
245.04318	0.3
256.41302	0.3
271.06085	0.4
299.02252	0.4
373.22546	0.8
415.23703	0.6
475.29922	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	7.1
65.03835	1.1
67.01763	0.4
71.01261	0.8
71.57679	0.4
75.00747	0.9
75.77515	0.2
81.03265	0.2
84.97416	0.2
85.02844	0.3
88.51838	0.2
89.02346	0.3
91.05411	2.9
93.03316	1.3
101.02323	0.5
108.02065	2.2
109.02837	14.2
113.02351	0.3
121.02844	34.6
122.03651	10.5
123.04437	4.2
124.04730	0.3
125.02351	0.5
133.02846	0.9
133.12846	0.3
134.03638	4.1
135.04417	22.6
136.04738	0.8
147.04434	3.6
148.05159	0.4
149.05980	7.8
150.06291	0.3
155.87653	0.2
163.03909	0.3
163.07629	0.3
172.05247	0.4
186.06821	0.6
187.07623	0.4
188.04706	0.3
195.43268	0.2
197.06027	1.0
199.03888	0.5
212.08321	0.5
213.05475	0.3
214.06235	1.1
229.08621	1.0
237.05553	0.4
238.06320	1.0
241.05067	1.8
253.08682	0.8
255.06506	0.6
256.07352	1.9
271.09747	100.0
272.10086	7.2
295.09680	0.6
313.10989	0.3
322.53973	0.2
336.08975	0.3
415.13837	0.6
475.28345	0.3
486.08844	0.3
488.21326	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14483	2.1
55.35938	2.3
55.66784	2.2
57.03314	5.0
59.01261	17.3
60.75412	1.9
71.01281	2.7
78.95779	32.5
80.02531	2.3
81.03331	6.1
82.56207	2.1
83.01265	8.6
83.04893	3.7
84.43578	2.3
85.02821	2.4
86.00945	1.9
95.04926	3.6
97.02837	3.1
97.06461	9.7
100.91068	2.3
103.21060	2.0
104.29499	2.1
109.06472	2.4
110.98409	23.6
121.06457	3.8
123.04417	9.3
123.08021	5.3
125.09628	16.6
131.65126	1.9
135.08041	3.7
137.09645	11.2
152.99397	2.7
163.07565	2.5
163.11182	16.1
165.12764	6.8
167.01067	17.2
177.12749	2.6
179.10625	3.0
181.12254	6.7
185.02145	21.1
185.11797	11.4
191.10873	4.7
191.14337	16.4
207.10211	7.4
209.11772	88.6
209.13774	5.1
210.12057	3.1
211.13388	2.5
217.15970	3.2
221.35114	2.2
225.11209	8.8
229.33687	2.2
245.19083	36.0
246.19342	3.6
248.45621	2.4
271.17068	3.7
289.18097	100.0
290.18405	8.8
299.02124	5.2
307.19189	63.0
308.19360	5.0
329.33060	2.3
401.23019	2.6
414.07043	2.5
425.98584	2.8
445.09305	2.7
475.14566	3.3
475.20923	41.0
475.26907	3.9
476.21579	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	473.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42569	0.7
57.71327	0.8
59.01253	100.0
61.45620	0.8
70.65567	0.8
71.01245	1.3
71.57689	1.2
77.97171	0.8
78.95792	0.9
89.02303	0.9
94.14883	0.7
119.45540	0.7
121.02856	0.9
125.02368	3.7
166.18010	0.8
167.27521	0.7
169.01337	8.3
175.03993	0.8
190.98880	0.7
254.05823	0.9
269.08060	2.0
303.12552	0.8
321.02301	1.4
402.45044	0.9
473.27695	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	3.4
58.00446	3.2
59.01249	100.0
69.25989	1.6
69.69183	11.8
71.01251	44.7
72.99187	3.0
73.02831	8.5
75.00744	3.4
85.02813	19.2
87.00737	5.4
87.42834	1.5
89.02318	26.0
95.01249	3.3
99.00755	5.8
101.02313	28.7
113.02325	18.3
118.08315	1.6
119.03392	10.4
119.04819	1.9
125.02354	4.0
136.82246	1.6
143.03406	3.2
148.75287	1.7
159.02927	2.8
161.02315	2.5
161.04472	22.0
168.00534	2.8
169.72214	1.5
177.12712	2.2
179.05533	11.8
205.03265	1.7
215.14362	2.1
221.01280	1.8
223.99533	2.0
231.10266	2.2
249.06165	2.2
251.16504	9.2
255.02914	2.6
327.12143	1.9
413.21722	19.7
414.21896	2.5
473.20663	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	473.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24564	0.4
51.32399	0.5
53.64132	0.5
57.03318	1.3
59.01254	100.0
60.01587	1.1
61.98701	1.0
69.03331	1.0
70.99136	1.3
70.99478	0.5
71.01257	8.7
72.99185	1.6
73.02818	0.9
75.00746	6.1
83.01280	0.6
85.02821	8.3
87.00751	3.2
89.02314	2.5
95.01264	1.6
99.00777	3.4
101.02324	2.0
103.00283	0.9
105.75034	0.5
113.02345	10.2
115.00230	0.6
117.01820	1.0
119.03307	0.5
121.02817	0.9
125.02329	1.4
127.72896	0.6
129.01833	0.8
133.27565	0.5
135.04413	0.5
137.09604	0.7
161.04477	0.9
175.02325	1.1
179.05455	0.5
179.14342	0.8
195.06639	0.7
195.13858	2.0
205.07086	0.8
205.12273	1.9
209.15434	0.7
223.08197	0.6
223.13353	12.1
224.13672	0.7
249.06119	2.3
267.07361	2.9
280.84851	0.5
371.21078	0.8
413.21631	1.0
431.26645	0.6
455.19092	0.8
473.20297	25.7
473.26923	1.5
474.20956	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	473.327
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
50.88371	2.0
60.07898	1.8
69.03327	6.5
70.56222	4.2
87.08526	1.8
98.67556	2.1
107.04887	5.6
109.06476	91.2
110.06820	2.5
116.22141	1.7
117.14423	2.0
133.02994	1.6
317.28488	2.3
355.30066	3.6
357.31592	42.8
358.31995	6.2
385.34836	14.5
386.34851	3.0
411.32639	15.4
429.33740	63.5
430.33914	10.6
435.91223	1.9
473.32733	100.0
474.33014	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	474.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.6
70.34317	1.6
78.81084	0.5
78.95779	73.0
85.43421	0.5
96.96835	5.5
140.01057	2.6
152.99480	13.0
153.00732	0.6
171.00572	12.4
171.84439	0.6
196.03694	0.9
214.04811	3.6
277.21722	100.0
278.22079	8.6
298.08109	0.5
400.22699	1.2
457.26041	1.2
474.26270	44.0
475.26712	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	474.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98643	0.4
59.01247	1.7
70.67976	0.4
71.01247	0.4
71.35861	0.9
78.95776	28.0
96.96884	0.5
98.16433	0.4
116.31386	0.5
121.43332	0.4
122.00008	1.1
127.07607	0.6
140.01096	6.9
152.61031	0.4
152.99464	2.5
196.03737	11.8
214.04846	2.8
233.22839	0.7
235.98505	0.4
259.20786	0.5
275.19971	0.6
277.21710	100.0
278.22079	9.7
279.07700	0.5
279.12506	0.4
287.85529	0.5
336.33051	0.4
474.26236	23.1
475.26413	3.1
482.26816	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54017	0.3
69.30643	0.4
78.95776	100.0
83.09569	0.3
96.96843	7.9
101.88251	0.4
104.16591	0.4
113.97546	0.4
117.38906	0.4
152.99489	15.3
171.00560	17.2
183.46669	0.4
237.82158	0.4
277.21774	0.7
314.01727	0.4
374.83316	0.4
400.22568	1.7
474.26245	52.4
475.26608	7.3
478.93915	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	17.9
65.00211	1.9
69.33725	8.4
71.01260	2.3
75.37882	0.7
82.28978	0.7
85.02832	0.8
98.19958	2.7
101.02325	1.5
113.02307	0.9
116.92727	3.4
125.02316	1.3
136.98705	12.1
151.03848	0.9
175.90343	0.9
182.03670	1.0
195.04564	1.0
199.03934	4.9
211.03925	2.5
226.02740	1.3
227.03493	4.4
228.85948	0.7
239.03401	3.6
241.04965	0.8
254.02184	22.7
254.05830	6.1
255.02879	6.1
255.06277	0.7
261.47052	0.8
268.03775	0.8
269.04556	28.0
270.05038	3.0
271.09692	1.1
282.01718	15.9
283.02444	10.8
284.02942	1.6
297.04041	89.5
298.04779	52.3
298.08359	0.8
299.05353	6.9
311.05737	1.3
313.07172	100.0
314.07520	8.9
355.08200	1.5
415.23349	1.1
460.10062	11.5
461.10278	1.1
473.30234	0.8
475.12427	23.4
475.25876	1.6
476.12595	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	13.4
63.02269	2.6
65.00195	6.8
66.30483	0.5
70.07349	0.5
71.01210	2.5
73.02777	1.2
75.00701	2.4
81.03281	0.6
83.01242	4.0
85.02782	1.9
89.02285	1.3
90.67605	0.5
91.01714	0.8
93.03326	6.7
97.02719	0.6
99.04337	0.8
101.02296	1.5
107.01268	11.9
108.02058	0.7
109.02817	1.2
111.24605	0.5
113.02252	1.6
119.04913	34.4
120.05194	1.5
121.02834	3.2
122.03604	1.3
125.02325	3.1
135.00734	0.9
135.03433	0.9
135.04416	15.8
136.04703	0.6
137.02292	0.5
145.02792	1.2
147.04408	0.8
149.02296	0.6
151.00275	38.2
152.00589	1.7
153.01793	2.0
161.04449	0.6
164.01036	0.5
165.01797	1.5
169.01355	4.9
175.00218	1.2
177.01826	5.8
179.10646	0.6
183.04536	0.9
187.03874	1.3
191.03401	0.8
193.01418	1.0
210.03082	0.6
211.03949	4.7
212.01122	0.6
212.04570	0.6
215.21805	0.6
217.37384	0.7
226.06248	3.4
227.03447	2.1
227.06960	1.1
239.03444	2.5
240.04117	0.7
253.05038	1.0
255.02969	23.8
256.03394	1.5
269.04538	2.1
270.05240	0.8
271.06110	100.0
271.09497	5.5
272.06439	8.3
272.09543	1.0
282.01782	1.2
283.02454	9.3
284.02933	2.3
285.03830	0.7
297.04053	4.1
298.04810	68.1
299.05237	7.6
300.02853	2.9
301.03519	1.0
313.07175	44.5
314.07541	4.1
431.18073	0.7
445.76108	0.6
475.12579	21.9
475.19168	1.2
475.29309	2.5
476.12936	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	473.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	0.6
59.01254	100.0
60.01579	0.9
61.98435	0.5
61.98704	2.7
66.74049	0.3
71.01257	2.7
71.60842	0.5
72.99201	0.6
73.02818	0.6
75.00745	0.8
80.78938	0.3
85.02831	1.5
87.00761	0.5
89.02350	0.8
93.03373	0.4
95.01271	0.4
96.23151	0.3
97.02892	0.4
99.00784	0.6
101.02368	1.1
113.02389	1.1
119.03378	0.6
121.02853	0.8
123.04444	0.4
125.02342	2.0
134.97000	0.3
137.02351	0.6
161.02400	0.6
161.04509	1.1
187.03999	0.4
191.01949	0.4
193.40741	0.4
193.78831	0.4
205.05156	0.5
211.04092	0.4
237.11363	0.8
253.09320	0.4
254.05646	0.5
269.08310	0.4
282.27295	0.4
289.07336	0.5
289.65848	0.4
313.07318	0.6
341.30069	0.4
401.09262	0.4
413.21713	0.8
436.18292	0.5
473.20328	0.9
473.27371	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42569	0.7
57.71327	0.8
59.01253	100.0
61.45620	0.8
70.65567	0.8
71.01245	1.3
71.57689	1.2
77.97171	0.8
78.95792	0.9
89.02303	0.9
94.14883	0.7
119.45540	0.7
121.02856	0.9
125.02368	3.7
166.18010	0.8
167.27521	0.7
169.01337	8.3
175.03993	0.8
190.98880	0.7
254.05823	0.9
269.08060	2.0
303.12552	0.8
321.02301	1.4
402.45044	0.9
473.27695	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01593	1.6
71.59299	2.0
75.30987	1.1
78.95834	1.5
96.59684	1.3
174.96016	1.6
189.13574	1.4
217.00294	2.4
258.71356	1.6
414.08151	1.5
470.85147	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05899	2.4
59.01252	100.0
61.44941	1.9
61.98680	2.4
62.77832	2.0
63.04592	2.3
71.01221	2.0
77.07521	2.1
78.95786	34.2
85.02821	4.6
87.00905	2.1
125.02305	4.8
134.04712	2.7
151.10516	2.1
152.99501	5.4
162.83812	4.0
169.01305	11.5
217.34361	2.3
229.20586	2.4
278.62857	2.8
304.26498	2.5
418.79248	2.2
474.26138	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	473.239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80661	0.4
56.95483	0.5
57.47471	0.5
59.01249	100.0
60.01591	1.0
70.70684	1.3
73.02820	0.5
82.34329	0.5
94.49431	0.5
101.02374	0.6
168.55185	0.5
185.26965	0.5
208.74646	0.4
336.48306	0.6
371.20761	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	0.4
59.01253	100.0
60.01590	0.9
65.99565	0.3
71.01254	1.7
74.57317	0.3
75.00782	0.4
79.77888	0.3
85.02840	1.4
85.21729	0.3
88.78134	0.3
89.02332	0.7
98.19753	0.6
98.95485	0.3
99.00804	0.4
101.02338	0.9
113.02351	1.0
125.02423	0.4
135.04434	0.4
137.06026	0.5
145.02872	0.7
145.42479	0.3
161.04475	0.4
163.04028	0.4
165.05530	0.4
165.09158	0.8
191.01863	0.3
206.94241	0.3
209.08179	2.9
251.13152	0.5
267.07364	0.7
269.08231	0.6
277.12177	0.3
387.28824	0.3
473.15540	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47964	1.4
52.82727	1.4
55.01750	2.2
57.03316	8.1
59.01252	91.2
61.03090	1.4
67.01749	1.9
68.99677	4.6
69.03313	4.4
69.27882	17.8
71.01254	45.0
72.99181	12.4
73.02808	4.7
75.00745	36.1
77.98215	1.5
81.03347	9.3
83.01247	5.7
83.04882	1.9
85.02820	41.1
87.00770	13.2
89.02315	10.5
91.03896	2.0
93.03350	6.9
95.01274	9.2
99.00748	20.5
99.04395	1.9
101.02307	2.7
103.00230	3.3
111.00768	2.5
113.02333	47.7
115.00244	3.7
117.01828	5.1
119.04915	7.7
121.02829	1.8
122.82946	1.4
123.04414	23.9
125.02346	21.2
129.01851	4.3
135.04443	2.1
135.11696	14.2
137.02286	1.7
151.00174	2.5
157.01268	3.2
161.09590	4.6
166.75671	1.6
167.03416	73.1
168.03731	6.0
169.01341	11.3
175.02351	5.1
179.03403	6.0
179.10692	53.3
180.10980	2.2
189.03967	1.8
189.05508	1.9
194.83040	1.4
204.99110	1.7
223.09769	1.7
227.03394	5.3
231.05042	6.4
249.06129	68.1
250.06479	3.1
255.03035	7.7
261.82651	1.5
267.07202	49.7
268.03717	6.0
268.07501	2.3
273.07687	100.0
274.08014	11.1
275.08194	6.8
284.03354	9.3
286.87982	1.7
311.03091	2.9
312.08826	1.7
321.02591	2.0
411.16333	3.8
429.17609	65.6
430.18073	7.4
435.12949	8.9
473.10806	4.8
473.16617	66.9
474.17120	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	473.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	3.3
59.01252	100.0
60.01593	1.0
68.99664	1.0
69.03342	1.9
69.93860	0.7
71.01250	18.0
71.59900	0.9
71.60259	0.7
72.99186	5.7
73.02822	2.4
75.00745	13.3
85.02828	17.7
87.00765	5.2
89.02309	3.9
95.01275	4.5
95.46191	0.7
99.00756	6.3
101.02364	2.6
103.00278	2.3
112.01598	0.9
113.02332	24.4
115.00282	1.4
117.01848	2.4
121.02843	1.0
125.02366	1.4
129.01840	1.6
161.04512	1.5
167.10648	2.0
175.02399	3.6
175.83105	0.8
179.14328	1.2
195.13864	5.4
197.15451	1.4
205.07137	2.1
205.12283	5.4
223.13348	28.9
224.13666	1.7
231.05130	1.5
249.06116	4.8
251.16640	0.9
267.07269	7.2
283.40915	0.8
390.03995	0.9
431.26544	1.7
455.19547	1.0
473.20306	50.8
473.27005	2.7
474.20569	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	473.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	3.4
70.02854	4.3
71.01258	4.6
71.02356	2.4
71.56330	2.6
72.00777	2.8
80.03288	1.9
84.87200	1.9
85.02827	2.7
87.00729	3.3
89.02279	2.3
95.02381	4.8
96.95900	2.8
96.96792	3.7
113.03456	25.3
114.01856	23.3
115.00228	2.4
131.04518	100.0
132.04878	2.2
133.01299	5.2
134.81096	1.8
233.24515	2.0
341.10873	3.6
382.88541	2.1
473.11368	4.2
478.14606	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	473.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	8.2
64.35762	1.1
64.60163	1.1
70.14252	1.0
70.93913	2.9
71.01252	6.8
72.99165	1.3
73.02806	3.6
75.00737	3.4
77.29444	1.1
78.72661	1.1
83.01253	1.2
85.02832	6.0
87.00747	2.9
89.02335	6.1
97.51643	1.2
99.00768	8.2
100.38804	1.2
101.02335	4.6
106.21706	1.2
107.04937	6.0
108.26624	1.2
109.02850	3.4
113.02332	4.3
121.02841	1.7
123.00803	1.2
125.02354	2.2
131.03339	1.7
133.02814	1.6
134.03629	1.4
135.04422	100.0
136.04759	4.6
137.02325	3.4
137.06006	7.6
147.02869	1.4
147.04408	1.7
149.02341	2.3
149.04456	9.2
151.03886	4.3
161.02359	12.2
164.04669	2.2
169.01457	1.7
175.03865	2.7
177.05482	2.1
179.02055	2.1
179.03444	23.1
180.03735	1.8
183.90276	1.4
191.05655	1.2
205.04976	1.5
225.23322	1.2
249.05988	1.3
255.06621	2.0
267.07190	4.3
269.10266	2.0
272.88721	1.4
297.07504	2.2
323.07687	3.8
341.09225	6.3
372.74881	1.3
429.13901	3.7
455.11374	1.7
473.12875	27.5
474.13358	2.5
496.77621	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	3.7
59.01252	14.0
59.82911	0.7
71.01254	2.7
71.58701	0.8
71.59046	1.0
72.99189	1.0
75.00749	45.7
78.16546	0.7
85.02834	1.3
89.02344	0.7
95.73540	0.7
103.00271	1.6
106.94935	0.5
117.01810	0.7
120.50674	0.6
121.02863	0.9
125.97810	0.6
129.01834	11.3
147.02939	3.7
147.49570	0.7
151.03876	0.8
162.06770	1.2
163.32541	0.6
165.03975	100.0
166.04305	2.6
177.09148	2.9
207.05054	1.8
221.08144	0.9
239.09193	0.9
273.30508	0.6
283.37384	0.7
422.96133	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.0
57.03331	4.2
59.00956	1.2
59.01251	19.9
67.01762	1.2
68.99693	2.5
69.03342	1.6
69.83484	3.0
71.01254	23.4
71.74595	0.6
72.99188	8.3
73.02831	2.2
74.61547	0.7
75.00748	18.0
83.01266	1.6
83.04892	0.6
85.02827	25.8
86.89890	0.6
87.00742	8.6
89.02327	4.5
89.48643	0.6
91.03918	0.8
93.03371	1.2
95.01263	4.6
99.00755	11.7
101.02362	1.5
103.00262	2.6
109.02887	1.2
111.00743	1.1
112.01562	0.7
112.81595	0.7
113.02336	29.1
114.02695	0.9
115.00296	1.8
117.01822	4.0
117.03391	0.7
119.04953	1.7
121.02854	9.3
125.02358	2.8
129.01848	2.1
135.04448	3.1
137.02390	1.2
139.00237	0.8
147.04430	3.0
149.02354	55.5
150.02931	2.2
157.01364	0.8
163.03947	1.3
164.04706	35.5
165.03961	3.1
165.05370	2.7
169.01341	2.7
175.00304	1.6
175.02419	3.2
176.01067	1.8
179.03429	1.5
179.07079	3.9
190.02623	4.6
191.03447	2.3
205.05042	5.6
205.06894	0.9
207.05077	2.8
208.03612	0.8
209.04472	1.6
223.06075	32.9
224.06317	1.8
231.05092	1.7
247.53438	0.6
249.06139	36.6
250.06546	2.4
267.07208	100.0
268.07562	4.4
269.04529	1.0
282.07574	1.4
283.08194	1.4
297.09973	4.2
381.08350	0.7
411.12988	0.9
413.10733	0.9
429.13687	1.2
441.10373	1.2
455.11926	5.9
473.12952	61.5
474.13452	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	473.0363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60289	0.2
51.83091	0.2
59.01271	0.2
65.88689	0.2
67.01768	0.3
69.03325	0.9
81.03339	0.5
95.01305	0.3
97.02838	0.8
124.01575	0.3
125.02341	42.0
126.02677	0.8
130.63556	0.2
151.00316	0.3
168.00555	0.5
169.01343	100.0
170.01682	3.5
231.48021	0.3
235.30022	0.2
321.02509	16.6
322.02792	1.0
355.77676	0.2
422.22275	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47324	0.5
55.01772	1.9
57.03339	0.8
59.01250	35.3
59.67249	0.5
59.92377	0.5
69.03316	0.5
71.01248	5.4
71.59364	0.9
72.99204	2.0
73.02831	1.7
75.00748	16.0
83.01296	0.7
85.02820	5.5
87.00755	8.5
89.02365	1.9
91.01789	3.2
93.03341	0.5
93.68018	0.5
95.01276	0.6
95.86990	0.4
99.00774	1.9
101.02323	2.4
103.00269	1.8
105.01821	9.1
107.26376	0.5
108.02112	0.5
109.02848	1.2
113.02325	2.7
117.01841	1.2
119.03346	0.7
121.02863	2.3
123.08762	0.5
124.07781	0.6
125.02341	1.0
129.01830	2.9
132.02068	1.3
133.02856	13.5
134.03648	1.8
135.00781	5.2
135.04396	0.6
137.02361	1.7
143.03464	0.5
147.02921	4.3
147.04396	0.6
149.00923	0.7
149.02260	1.0
153.01871	5.5
155.83455	0.6
157.01334	0.5
162.05560	0.8
162.06783	5.1
164.04749	1.5
165.03960	69.7
166.04297	1.8
169.01277	0.6
177.09163	7.3
179.05556	1.0
179.07077	2.8
185.06075	0.5
193.05077	0.5
195.04971	0.5
197.05991	0.6
207.04945	0.9
209.15015	0.6
211.03928	1.4
221.08188	3.8
222.08623	0.5
223.06117	1.7
225.05524	0.7
227.03409	1.3
239.03374	0.7
239.09157	2.6
240.04343	2.7
241.05014	1.0
249.06126	1.2
267.02927	0.6
267.07477	0.6
268.03748	19.1
269.04538	100.0
270.04886	7.7
281.10263	1.5
311.05762	0.7
455.16968	0.7
473.10779	17.7
473.16479	1.9
474.11121	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3479
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
51.48414	0.6
69.28557	1.9
69.28980	5.0
71.04889	1.4
88.42857	0.5
90.88982	0.6
98.20528	1.0
108.46871	0.6
254.79245	0.6
303.06210	0.6
405.31732	0.7
411.32596	1.5
427.35764	0.8
453.33768	14.2
454.34055	2.1
471.34805	100.0
472.28317	1.0
472.35062	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	471.3477
Annotation	Odoratone
Peak:m/z	Relative Intensity
74.28738	0.5
78.38320	0.4
89.17214	0.4
98.20557	0.9
169.79965	0.4
174.81837	0.4
260.29959	0.4
271.56866	0.4
393.31277	0.8
423.32709	0.9
449.40631	0.4
471.34781	100.0
472.35129	17.0
472.40286	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3482
Annotation	Odoratone
Peak:m/z	Relative Intensity
50.33974	0.3
59.01237	0.4
64.29440	0.3
65.89034	0.4
65.89382	0.4
70.98990	0.7
70.99363	0.6
78.95777	0.5
81.31671	0.3
118.65232	0.3
124.86853	0.3
152.99483	0.4
229.20354	0.4
231.19221	0.3
313.16818	0.4
471.34787	100.0
472.35147	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	473.0358
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03333	0.5
69.65125	0.3
69.65534	1.0
77.47063	0.2
81.03326	0.3
97.02817	0.7
98.20525	0.3
112.24950	0.2
124.01592	0.3
125.02333	34.6
126.02676	0.8
168.00545	0.4
169.01329	100.0
170.01692	3.7
233.29288	0.2
257.49481	0.2
295.30450	0.2
312.93118	0.2
321.02490	18.6
322.02802	1.3
420.32373	0.2
473.03329	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
59.38677	0.5
60.01592	0.9
71.01253	6.8
71.57839	0.7
73.02822	8.2
73.52009	0.5
83.01253	3.1
85.02821	0.7
89.02330	1.2
99.49470	0.5
101.02327	8.1
106.44884	0.4
113.02329	1.3
119.03391	0.5
125.02390	0.8
149.04430	0.8
161.04532	1.1
163.97658	0.5
165.12843	1.0
169.01341	0.6
207.13860	2.6
211.04088	0.6
219.13722	0.8
221.06589	0.8
231.14030	0.6
249.14977	1.2
255.03041	1.9
256.36774	0.6
281.51401	0.5
283.02524	1.0
298.04807	3.1
313.07220	2.6
411.04327	2.4
471.26346	1.1
494.93707	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	2.2
59.01251	100.0
60.01588	1.0
69.34701	1.3
69.35106	4.8
71.01252	8.1
73.02817	9.7
73.03185	0.8
80.47864	0.7
83.01261	4.6
88.03928	0.7
89.02319	1.3
93.03361	0.7
95.01316	0.6
101.02318	8.4
109.02811	1.1
113.02354	2.7
119.03396	0.7
120.43446	0.6
123.04454	1.1
125.02345	9.0
135.04402	0.7
137.02339	6.1
143.03378	0.8
145.02875	1.5
146.17247	0.6
149.02460	0.7
149.04433	0.9
155.10675	3.3
159.04416	1.4
160.99121	0.7
161.04477	2.4
161.05946	1.5
199.09720	2.4
207.04593	0.7
207.13846	1.5
219.13976	1.1
249.15004	0.8
253.05177	1.0
271.06119	4.8
284.82159	0.7
289.07294	3.1
309.20612	1.0
321.13589	1.5
427.17566	0.7
471.16525	0.8
471.26593	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	471.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51491	0.6
57.03320	2.1
57.43488	0.7
58.00460	1.3
59.01251	100.0
60.01617	0.9
63.38501	0.6
69.03342	1.5
69.48675	2.9
69.49104	2.8
71.01253	26.6
72.99178	1.0
73.02817	27.6
78.67834	0.7
83.01264	8.7
85.02817	6.0
87.00769	2.5
89.02320	5.3
95.01251	1.3
95.06165	0.6
95.29309	0.6
97.02840	1.4
99.00759	1.4
99.04422	3.1
101.02320	27.9
107.01300	1.0
109.02856	0.8
113.02332	11.6
115.03873	0.6
119.03395	2.0
119.04946	0.7
125.02332	10.7
131.03409	2.5
137.02396	1.1
137.09634	0.7
143.03397	4.1
147.04459	0.6
148.05199	32.5
149.04472	1.5
149.05571	1.1
151.00272	3.8
153.01895	2.1
155.03477	1.2
159.02882	1.0
161.04460	11.2
161.13269	8.7
163.07550	27.8
164.07877	1.2
165.01822	1.6
167.03455	2.7
169.01332	0.8
169.90851	0.7
175.00261	3.6
178.99808	3.7
187.03844	0.7
187.11206	1.2
191.03479	2.2
193.01343	26.5
194.01714	1.4
200.53531	0.8
205.07162	1.8
205.12273	25.0
206.12657	1.7
215.03467	1.5
249.11299	23.1
250.11729	1.8
273.07751	2.5
283.02524	1.0
301.03503	3.9
302.03909	0.8
308.62109	0.7
319.04547	3.9
436.24854	0.9
471.12845	0.6
471.18109	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.0
57.03314	2.7
59.01258	6.7
67.01752	1.9
68.99693	1.4
69.03325	1.3
70.86040	0.8
70.86356	1.4
71.01254	52.8
72.99185	12.5
73.02819	4.9
75.00749	1.4
83.01264	4.5
85.02822	28.6
87.00753	8.3
89.02318	4.0
95.01271	3.7
97.02840	2.2
99.00762	2.8
101.02325	6.8
102.97546	0.7
103.03921	1.0
111.00761	2.9
112.18199	0.9
113.02326	33.8
115.00245	1.4
128.11696	0.6
129.01817	1.4
131.03378	5.6
133.01328	1.7
139.00278	2.5
146.26930	0.7
157.01369	1.7
173.04474	7.3
175.02444	1.6
189.04091	1.3
201.03955	6.3
203.05540	1.3
205.06987	1.5
223.17606	0.7
230.52086	0.7
245.06621	3.1
249.06165	3.3
289.05942	0.8
305.08640	1.4
317.08786	6.2
321.08231	10.3
339.09299	9.6
340.09558	1.1
349.11322	1.1
361.07849	1.5
379.08945	1.2
381.10422	3.9
393.10413	10.5
394.10739	1.1
411.11392	28.5
411.16882	1.4
412.12021	2.3
439.11047	1.0
471.13544	100.0
472.13834	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	471.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	72.3
66.46906	10.8
70.93407	27.5
71.01250	100.0
74.61264	10.9
75.00734	18.2
78.71068	9.4
81.92023	11.8
82.56866	11.0
85.02833	34.5
89.02308	44.1
97.14464	11.7
101.02334	31.4
112.98663	17.1
113.02315	32.4
119.03374	21.0
129.01859	23.3
140.83316	10.2
145.76291	11.8
160.61536	12.3
179.05528	17.4
261.62668	11.1
297.11957	94.6
363.58759	12.9
464.73123	11.7
471.13464	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08949	0.5
55.01759	1.9
57.03327	4.0
58.00470	0.7
59.00949	0.7
59.01248	13.8
65.80080	0.5
67.01786	0.9
68.99677	1.8
69.03332	1.9
71.01251	40.9
72.99180	7.6
73.02828	3.4
75.00746	36.3
77.50610	0.5
82.18926	0.5
83.01236	3.1
85.02822	29.2
86.03152	0.8
87.00754	9.5
89.02322	5.0
95.01268	4.1
97.02828	2.0
98.19779	1.8
99.00756	20.5
99.01421	1.0
101.02314	4.5
103.00234	1.4
106.04132	1.1
109.02842	0.6
111.00729	1.2
113.02328	29.4
114.02670	0.5
115.00263	4.3
117.01826	2.6
119.03392	0.9
121.85342	0.5
123.04391	1.5
125.02335	2.5
127.00324	0.8
129.01823	1.6
131.03374	1.3
131.04955	2.1
132.05710	4.2
133.06488	100.0
134.06813	4.1
136.90703	0.5
139.00258	1.1
139.03841	0.7
141.01854	1.6
143.03387	1.7
157.01337	7.0
161.04460	4.0
169.01317	1.4
173.04460	1.6
175.02408	5.5
199.02350	0.6
201.04008	1.5
217.03488	4.0
259.04617	0.7
276.99158	0.6
277.05624	7.6
303.96878	0.5
319.06705	1.8
337.07709	3.9
411.12659	0.6
453.13776	0.7
471.15039	70.9
472.15356	8.1
481.09979	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74049	11.1
56.86889	10.6
59.01257	100.0
60.89540	10.7
69.56817	70.4
69.57241	16.7
71.01246	45.6
73.02814	23.5
75.21564	10.7
83.01251	15.0
83.04891	20.4
84.60110	12.1
85.02815	19.6
85.81425	11.1
99.92454	21.0
101.02312	41.3
115.91907	17.5
116.92745	94.4
121.06512	12.1
125.02318	48.7
133.02873	15.3
142.28627	11.2
149.58522	12.8
168.00601	19.7
169.01303	28.4
211.47293	10.8
219.79193	13.1
235.51596	11.8
265.41101	14.1
323.49237	11.8
353.38040	12.7
431.51038	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	10.3
59.01255	40.3
67.01775	12.3
71.01265	49.9
71.57514	20.8
85.02850	24.4
86.65041	9.4
89.02341	30.6
91.19391	10.0
101.02354	14.3
107.16393	9.2
112.98667	11.8
113.02355	15.5
118.30361	9.4
119.03397	22.4
129.01799	19.1
135.06529	15.2
146.43973	10.5
152.08447	9.0
152.74413	9.0
172.06122	12.9
297.11920	100.0
471.13528	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01279	2.6
65.59991	1.5
67.01759	2.6
71.01266	4.1
71.37975	2.1
71.38307	1.6
83.01266	3.4
85.02849	2.4
94.51783	1.7
95.01280	2.7
107.01287	3.8
111.00764	23.6
113.02300	4.0
123.00781	5.8
124.01499	1.8
125.02339	30.6
125.03239	2.1
137.02307	2.0
139.00266	61.8
139.03915	1.5
140.00871	2.5
141.01839	5.5
149.97009	1.2
151.00266	3.3
153.01888	1.5
154.99747	10.3
156.00571	11.0
157.01321	10.3
157.38214	1.3
158.01653	1.3
166.99789	18.5
168.00554	8.5
168.62939	1.5
169.01340	45.3
181.78206	1.3
185.00844	6.6
211.02423	40.0
211.04375	2.5
212.02803	1.9
271.04587	100.0
272.04984	4.6
301.05682	4.2
303.07083	3.6
313.05646	8.4
313.52676	1.3
314.06024	1.6
319.06601	2.1
331.06699	33.5
332.07034	2.0
356.67081	1.8
359.73630	1.7
399.09262	3.6
453.06650	8.8
471.07648	10.0
472.07700	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43180	4.4
54.93329	4.6
59.01251	80.6
63.86924	3.6
71.01257	60.8
71.57349	5.7
85.02831	12.7
87.00764	4.5
89.02316	73.0
97.55122	3.9
101.02310	27.6
113.02329	31.3
119.03413	20.2
127.12814	3.7
128.03435	31.3
128.07068	41.1
143.03394	6.9
161.07765	4.1
179.05495	29.3
273.54047	4.1
285.23953	4.8
341.06863	4.9
341.10938	100.0
342.11176	7.3
352.50928	4.5
471.14212	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	471.057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50214	0.8
52.78043	0.6
55.01736	0.8
57.03318	5.0
59.01249	100.0
63.02287	1.0
65.00191	1.9
69.03323	1.0
71.01250	19.7
72.99168	0.9
73.02813	14.2
81.03323	0.9
83.01244	7.0
83.25164	0.7
83.58958	0.8
85.02822	6.0
87.00756	3.0
89.02298	4.8
95.01260	1.7
99.00776	1.6
99.04408	0.9
101.02324	17.2
103.03905	1.2
107.01298	3.0
109.02869	3.2
113.02331	8.1
118.37498	0.8
119.03407	1.2
119.04913	4.1
121.02861	1.3
123.00778	1.4
124.01596	1.0
125.02333	31.2
125.03236	1.6
126.02690	1.7
131.03432	2.0
137.02322	5.0
137.09653	0.9
139.03906	3.6
139.57848	0.7
143.03433	3.8
145.02867	3.5
147.00847	2.2
147.04364	1.2
148.05203	49.2
149.02370	0.8
151.00256	10.8
152.01083	2.3
153.01839	8.0
155.03391	1.0
159.02937	1.0
161.04460	11.2
161.13290	2.5
163.03918	4.9
163.07545	37.6
164.62943	0.8
165.01869	5.2
167.03461	2.7
169.01437	2.5
173.05965	0.8
175.00285	15.5
175.01761	1.1
176.00879	0.8
178.99782	14.4
181.01424	1.6
191.03397	8.6
193.01352	89.2
194.01685	3.8
205.07242	2.8
205.12279	6.2
207.06604	1.0
215.03398	6.0
221.06635	1.1
233.04567	2.1
249.11302	7.1
257.04578	4.7
257.67105	0.8
275.15329	0.8
283.02469	0.9
297.55246	0.9
301.03476	13.8
301.06339	0.9
302.04004	1.1
307.08231	1.7
319.04544	21.4
320.04877	1.0
328.69489	0.9
471.18524	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	470.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76343	2.8
59.01251	32.8
60.16350	3.0
69.37290	27.0
71.01254	28.3
82.43226	3.2
85.02823	7.8
89.02320	40.0
98.20576	5.4
98.69463	3.1
101.02303	16.0
103.15889	3.0
113.02324	16.9
119.03368	13.9
128.03456	19.8
128.07050	14.1
133.86151	2.9
169.68819	3.7
179.05490	17.6
224.93472	3.6
236.31898	3.4
341.10858	100.0
342.11313	5.1
443.51828	3.7
471.13358	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	469.208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08338	1.0
59.01249	3.2
65.74220	1.0
69.03335	1.1
71.08430	2.4
75.63376	1.0
81.03338	7.0
83.01253	3.4
86.37283	1.0
95.01279	1.6
95.04899	9.2
97.02832	7.0
99.04383	1.5
99.08033	3.6
101.05949	3.4
108.02114	1.2
113.02334	2.3
121.02819	1.4
123.04391	2.8
123.08053	4.0
125.02349	23.0
125.05984	16.7
135.08090	2.1
136.05219	1.3
137.02336	3.5
137.09624	1.3
147.08018	1.2
149.09572	1.4
151.07581	2.2
155.03394	2.7
157.39566	1.1
163.07501	1.4
164.08421	2.8
165.09163	12.7
166.02672	2.0
167.03439	16.5
167.07063	2.1
175.07504	1.0
177.09177	2.0
177.12770	2.3
179.07126	6.4
179.10736	10.0
181.08614	2.0
183.10202	1.6
191.07031	3.0
197.04550	1.8
207.06535	2.3
207.10243	3.6
209.08142	39.6
210.08487	1.7
219.13824	1.4
221.08141	10.9
223.09734	3.9
231.13863	1.3
233.08179	2.8
233.15428	1.8
235.09738	1.9
249.07730	1.3
251.09235	100.0
252.09663	5.1
261.14954	3.6
263.09250	3.5
263.12900	15.3
265.10855	1.5
275.12958	4.7
281.10327	32.3
281.13330	2.2
282.10690	2.1
293.10373	1.1
305.13940	20.9
306.14371	2.1
307.15482	3.0
317.13895	2.3
319.15652	2.5
335.15021	10.7
336.14944	1.6
349.16577	70.6
350.17032	5.5
361.16483	2.5
379.17639	42.0
380.17984	3.4
385.59879	1.4
391.17508	1.7
451.19763	4.2
469.20874	8.9
494.20563	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	3.8
61.98709	3.0
71.01252	3.4
71.08638	2.5
75.00760	4.1
83.01262	1.6
85.02821	3.3
86.03208	0.9
87.00811	0.9
96.83762	0.9
108.02069	2.1
109.02859	3.2
111.00787	3.1
113.02300	1.2
123.00781	3.9
124.01520	0.8
125.02332	8.9
129.08705	0.9
129.37770	0.9
136.01512	1.6
137.02339	15.1
139.00267	5.4
140.01097	4.6
151.00299	1.3
151.03935	1.8
152.01033	2.5
153.01743	2.2
155.03418	4.0
159.58977	0.8
161.02419	0.9
163.03896	1.2
163.64578	0.9
164.01071	1.6
165.01849	77.1
165.03839	5.0
166.02280	3.6
166.99788	5.2
167.03400	1.3
168.00557	2.0
169.01320	8.4
170.01704	1.3
171.97795	0.9
177.01886	1.3
179.03441	15.1
180.04196	55.6
181.04784	3.6
181.33165	0.8
185.00804	1.6
194.05801	3.2
195.02834	2.6
195.06563	100.0
196.06882	3.9
210.05283	7.0
225.07646	31.3
243.08763	2.3
313.05579	3.1
317.07608	1.9
331.08051	2.6
346.10464	1.4
361.12967	6.1
421.15021	12.7
422.15723	1.4
425.09952	2.0
469.09052	20.0
469.17056	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	469.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	3.1
64.20318	1.1
69.03319	1.6
70.97524	1.6
70.97871	2.7
71.01273	2.1
71.04904	1.1
73.33120	1.1
81.03339	4.7
83.01277	3.1
87.83287	1.2
93.03304	1.6
95.01255	2.5
95.04901	10.2
97.02836	5.7
97.06468	1.4
99.04404	2.3
99.08057	2.8
101.05966	4.2
111.04424	1.6
123.04350	2.3
123.08068	3.2
125.02348	24.0
125.05978	14.5
135.08090	2.5
137.02327	2.6
137.09676	1.9
139.03888	1.5
149.09644	1.8
151.07526	2.8
155.03429	2.6
165.09099	13.3
167.03409	15.4
167.07050	2.8
177.09123	1.4
177.12724	3.1
179.07109	6.0
179.10684	10.4
181.08612	3.3
191.07118	2.7
197.04521	2.8
203.06964	1.6
207.06584	1.4
207.10257	4.1
209.08142	39.8
210.08476	2.9
219.10245	1.6
219.13853	3.1
221.08080	9.3
222.08748	1.6
223.09741	1.8
233.08080	2.1
233.15408	2.1
235.09685	4.2
251.09235	100.0
252.09598	5.0
261.14926	2.5
263.09433	2.4
263.12909	12.1
265.10770	2.0
275.12897	6.4
277.14441	1.6
281.10291	27.6
282.10776	2.1
305.13922	23.4
307.15442	3.3
317.14047	2.4
319.15536	2.4
335.14948	11.3
349.16565	72.8
350.16922	6.8
352.09082	1.4
361.16339	2.8
371.13370	1.7
379.17599	48.1
380.17966	5.2
451.19794	4.2
469.20938	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	469.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.6
59.01251	0.8
71.01249	0.8
71.59956	0.4
75.00751	0.3
78.95776	3.2
79.95612	2.0
81.03301	0.2
85.02821	1.8
88.09464	0.3
88.47751	0.2
96.95892	100.0
96.96779	4.7
97.95811	0.2
98.03523	0.2
99.00739	0.6
101.02306	0.3
109.02816	0.6
113.02315	0.3
123.04430	0.6
125.02360	0.8
130.08661	0.3
137.02365	0.4
148.73000	0.3
165.01894	0.2
165.09142	1.1
184.59111	0.2
191.01932	0.2
191.72740	0.3
209.08134	5.5
245.08073	0.5
274.04257	0.2
289.07190	2.0
371.13098	0.5
382.98904	0.2
385.46759	0.3
404.19861	0.2
469.22644	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	2.1
59.01252	7.8
69.03341	2.3
71.01253	10.1
71.59607	4.1
75.00744	3.3
83.01254	3.9
85.02834	15.0
86.03163	2.2
87.00745	3.2
89.02341	3.6
95.01293	3.0
97.02842	4.2
99.00787	2.8
101.02334	6.7
102.06161	2.0
107.01292	3.3
108.02069	12.5
109.02867	17.9
110.03146	2.6
111.40070	2.1
113.02361	2.9
123.00773	6.2
123.03088	2.9
123.04427	6.6
125.01495	2.7
125.02322	18.4
126.02689	4.0
127.02808	3.3
135.04408	9.0
137.02336	16.6
139.00217	3.4
148.04039	1.8
151.00287	4.2
152.01094	10.0
153.01697	5.1
154.01424	1.8
157.68607	2.1
161.04503	2.6
163.03947	3.7
163.07504	3.9
165.01854	95.6
166.02164	6.1
169.01332	14.5
170.01665	4.4
171.01817	6.0
175.03952	3.3
179.03435	11.5
180.04218	63.4
180.05786	4.1
181.04660	2.4
187.03949	2.3
188.04829	2.6
195.06569	100.0
196.06854	3.7
203.07007	4.3
205.04999	3.4
210.05341	7.5
223.24269	2.1
225.07646	54.8
226.08037	2.4
247.06342	2.2
265.07236	2.2
289.07138	15.9
314.05829	2.3
315.08810	4.9
317.07657	4.3
319.43021	2.3
361.12625	2.3
424.09616	2.7
425.09769	6.9
438.63589	2.2
469.08755	65.5
469.15387	2.4
470.09006	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	469.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27411	0.2
52.53134	0.2
54.12207	0.2
56.99295	0.3
59.01244	0.9
64.12751	0.3
69.45796	1.4
69.46210	0.6
75.47250	0.2
76.76604	0.3
77.36404	0.2
78.95778	0.4
79.95610	2.2
81.03333	0.3
85.23923	0.2
96.95893	100.0
97.95822	0.2
98.20382	0.7
105.75424	0.2
110.63100	0.2
117.16639	0.2
125.02290	0.3
165.09152	1.0
195.06601	0.5
209.08176	3.0
233.08246	1.0
247.13348	0.3
307.05103	0.7
371.13391	1.6
403.80011	0.2
470.27811	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.2
59.01258	1.0
69.67762	1.5
71.01251	0.5
75.00742	0.3
76.87238	0.2
78.95774	2.9
79.95600	2.3
83.01231	0.2
85.02838	1.3
89.02325	0.3
96.95892	100.0
96.96780	5.0
97.95847	0.4
98.20244	0.7
101.02316	0.4
113.02366	0.4
125.02336	0.7
165.09181	1.0
191.01727	0.2
209.08147	4.5
209.40372	0.2
210.08621	0.3
326.62778	0.2
371.13522	0.9
421.28769	0.3
451.16974	0.6
469.18369	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.8
57.03327	13.0
58.00452	0.9
58.03639	0.5
59.01258	14.1
60.01585	0.5
60.36484	0.5
61.98693	0.5
63.47664	0.5
68.99680	1.1
69.03317	0.7
69.66512	4.0
71.01257	18.2
72.99184	4.3
73.02815	4.1
75.00749	22.6
79.21177	0.5
83.01260	4.6
84.02032	2.5
85.02827	100.0
86.03156	1.8
87.00755	7.0
89.02316	2.1
93.03333	0.8
95.01288	2.7
97.02838	0.8
99.00754	7.8
101.02331	8.0
103.00241	1.6
103.96667	0.6
111.00753	2.4
112.01535	0.8
113.02336	22.4
114.02664	0.6
115.00259	1.8
117.01817	1.6
125.02325	1.2
129.01839	8.3
132.04385	0.7
134.03596	1.6
135.04393	0.6
137.02341	1.0
143.16502	0.6
147.02896	9.7
157.01363	0.5
161.02328	0.7
161.04448	1.4
162.03102	0.8
173.00778	0.7
175.02394	2.6
177.01814	0.9
189.05559	0.6
191.01912	20.6
209.03001	1.8
236.80190	0.5
239.08214	0.7
258.11505	0.6
275.09323	1.0
283.10800	0.6
291.18073	1.6
314.09146	0.7
376.17209	0.6
406.17590	1.3
450.16638	4.9
459.08319	0.5
467.21320	67.9
468.22467	5.6
491.28629	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0414
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97863	0.8
57.03322	4.5
59.01255	2.2
71.01240	1.6
71.57215	1.0
71.90033	0.9
79.87820	0.8
81.03331	1.0
82.67599	0.7
89.02297	0.7
99.00742	0.9
107.01272	1.1
125.02346	13.6
137.02341	1.9
143.04706	1.1
151.00311	2.6
157.02873	1.6
159.04448	1.2
165.01869	2.4
169.01358	2.6
169.02809	0.8
171.04472	1.1
173.02368	1.3
178.99756	1.1
183.02881	7.6
185.02344	5.2
187.03938	5.3
197.02394	1.0
199.03934	2.2
201.01842	3.1
213.01881	7.0
214.02425	1.5
215.03464	6.7
218.16153	0.9
225.01913	0.9
226.02695	0.9
227.03461	3.5
229.01411	12.4
230.01825	1.3
231.03014	1.7
241.01404	2.3
242.02083	2.2
243.02905	4.8
245.01051	1.4
253.01434	1.5
255.02945	1.6
257.01010	6.5
258.01663	1.2
259.02612	2.0
269.00879	3.4
270.01755	1.3
271.02463	16.9
272.02786	2.1
274.01163	3.8
285.00406	100.0
286.00781	6.9
287.02048	4.3
288.12286	1.5
289.03503	1.3
289.12805	1.0
297.00415	2.7
298.01288	1.1
299.01941	22.7
300.02097	1.8
315.01471	23.6
316.02042	1.9
317.03915	1.2
324.99792	5.3
341.03122	3.0
343.00919	38.2
344.01346	3.1
364.01218	0.9
451.03104	17.3
452.03217	2.5
469.04135	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	467.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	0.9
57.03328	8.2
59.01248	8.1
61.13534	0.7
68.99680	0.8
70.42097	2.4
71.01254	10.8
72.99187	2.1
75.00749	2.1
83.01254	1.5
84.02036	1.7
85.02823	77.8
86.03142	1.1
87.00758	1.8
87.10914	0.7
89.02317	4.5
101.02315	0.8
103.00259	1.9
111.00748	0.8
113.02261	0.6
115.00273	1.2
125.02332	0.8
129.01848	4.4
133.01317	6.4
146.35492	0.7
147.02904	5.6
153.01797	0.8
161.55026	0.6
169.01343	1.2
172.05241	0.7
187.07587	3.4
191.00195	1.3
191.01912	19.7
192.02238	0.7
209.02982	100.0
210.03239	3.3
213.09172	0.8
231.10237	1.8
257.08200	1.1
304.71387	0.6
307.65204	0.6
335.17026	1.0
427.70718	0.8
467.11917	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08533	0.5
51.34872	0.5
55.01754	2.3
57.03328	9.1
58.00480	0.8
59.01254	15.0
67.01758	0.6
68.99688	0.6
69.03332	1.0
69.48846	2.7
69.49273	2.1
71.01255	27.9
72.99184	4.7
73.02824	4.5
75.00750	33.1
76.01064	0.5
76.36404	0.5
83.01255	4.5
84.02053	1.0
85.02826	53.6
85.99992	0.9
86.03150	1.2
87.00755	9.7
89.02297	2.5
95.01246	4.2
97.02838	1.7
98.20222	2.2
99.00763	10.1
101.02319	9.0
103.00239	1.3
111.00752	1.6
112.01569	1.3
113.02335	31.7
115.00256	2.3
116.01045	0.8
117.01824	1.8
125.02325	1.1
129.01834	2.0
147.02879	1.5
157.01300	1.7
161.04539	1.4
173.04500	0.6
175.02382	3.7
191.01929	5.1
209.02997	2.0
291.18259	3.0
334.32791	0.6
349.18884	1.0
366.40317	0.5
407.19177	1.0
414.75983	0.6
467.21326	100.0
468.21518	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	467.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60639	0.6
53.71634	0.5
59.01237	0.9
66.07807	0.6
69.03309	1.7
70.14801	1.4
70.15211	1.6
71.01241	2.1
73.02837	0.6
81.03284	0.6
85.02827	1.7
95.01271	1.6
97.02856	1.5
101.02302	0.9
105.94832	0.6
107.01290	4.8
108.02061	23.7
109.02855	12.1
111.00764	1.1
113.02347	1.0
123.00768	8.6
124.01587	1.0
125.01432	1.3
125.02342	24.7
126.02657	0.7
135.00754	1.3
136.98737	1.1
137.02281	0.6
139.00275	1.9
140.01004	1.7
141.01811	0.7
142.22571	0.6
151.00301	5.7
151.03860	0.9
152.01060	29.1
153.01866	6.2
163.03876	0.7
165.01828	1.0
168.00581	2.7
169.01344	29.7
170.01759	0.9
179.03456	1.0
193.98531	4.5
194.99144	0.8
211.02414	1.1
248.03058	0.6
280.54657	0.7
313.05688	6.8
315.07263	10.5
363.42911	0.8
423.09280	23.7
424.09729	2.2
449.07227	2.5
459.75525	0.6
467.08298	100.0
468.08685	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	467.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	1.4
56.06891	0.8
57.03318	3.6
59.01248	7.0
65.00156	0.9
68.99714	1.0
69.03331	3.5
69.55926	6.9
71.01248	7.6
72.99178	1.6
73.02835	4.6
75.00751	5.6
76.91148	0.9
79.01791	1.3
81.03323	2.1
83.01263	2.9
84.02025	1.6
85.02828	33.7
87.00756	2.0
89.02299	1.4
93.03307	1.1
95.01264	2.5
97.02818	2.5
99.00747	1.4
101.02316	3.7
101.02917	0.9
107.01270	6.1
108.02058	37.4
109.02845	39.4
110.03108	1.1
111.00743	2.7
113.02327	3.1
121.02853	1.9
123.00777	16.8
123.04394	1.6
124.01560	1.0
125.02345	41.9
126.02695	1.2
129.01839	2.9
133.01289	1.3
135.00778	2.1
136.98814	0.9
137.02357	1.4
139.00322	5.1
140.01088	2.3
141.01855	2.6
147.02885	2.6
150.99130	1.4
151.00279	13.3
151.03941	2.2
152.01064	43.5
152.61523	0.9
153.01855	40.0
154.02219	1.8
161.04459	2.4
165.01903	2.0
168.00537	3.6
169.01347	57.3
170.01660	1.8
179.03433	1.5
191.01904	5.8
193.98465	3.6
194.99200	1.1
195.02879	1.5
209.02946	15.2
209.04884	1.2
211.02385	2.1
241.03494	2.2
290.68192	0.9
305.03024	1.6
313.05643	12.2
315.07159	14.4
316.07639	1.2
423.09299	22.0
424.09909	1.7
441.63187	0.9
449.07275	1.6
467.08295	100.0
467.18256	2.8
467.28464	1.9
468.08691	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	465.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	5.9
56.61553	1.8
57.03327	6.9
58.00470	1.8
59.01251	52.0
61.98740	2.0
62.12399	1.7
69.03338	2.8
69.47775	14.8
71.01256	89.6
72.99189	6.1
73.02824	44.1
75.00783	1.8
78.95779	84.6
83.01256	17.0
85.02823	44.0
85.99961	1.8
87.00786	5.5
89.02324	22.7
95.01292	5.5
96.95934	2.6
96.96867	5.7
97.02868	6.1
98.20513	2.7
99.00766	18.7
101.02322	81.5
111.00807	2.4
113.02330	32.9
115.03876	2.4
119.03414	2.9
125.02366	8.5
129.01840	2.0
131.03442	6.1
136.05240	2.4
143.03439	3.4
149.04482	3.7
151.07610	5.6
152.99490	100.0
159.02943	8.3
161.04474	37.0
162.04852	2.1
162.48161	1.7
170.94458	1.8
215.15067	1.8
233.06720	3.8
259.53671	2.1
333.22824	97.7
334.23077	9.2
376.03992	1.9
435.10361	1.8
465.08664	3.1
465.27328	92.6
466.27802	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	466.2939
Annotation	1-heptadecanoyl-glycero-3-phosphoethanolamine
Peak:m/z	Relative Intensity
64.18661	0.4
70.96443	1.2
78.95776	19.1
82.61972	0.4
90.68965	0.4
100.62889	0.4
111.98198	0.4
122.00034	0.8
140.01060	4.5
152.99492	1.9
196.03748	8.5
197.04123	0.4
197.19879	0.4
214.04784	2.0
237.34297	0.6
269.24844	100.0
270.25217	7.6
333.37384	0.5
360.48251	0.5
362.71097	0.5
466.29358	22.1
467.29745	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	467.075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33876	1.3
51.88228	1.5
52.69516	1.3
53.62438	1.5
55.01749	3.7
55.45198	1.3
57.03329	9.5
59.01250	23.5
60.90537	1.2
66.65211	1.6
67.01749	1.2
69.03316	1.5
69.38022	11.3
69.38431	2.0
71.01257	36.3
72.01602	2.3
72.99165	6.2
73.01653	1.4
73.02809	4.1
75.00748	40.3
76.01093	1.7
83.01257	4.9
85.02826	46.5
86.03140	3.3
87.00756	11.5
89.02314	5.7
93.03326	1.6
95.01265	5.6
97.02814	1.8
99.00755	13.6
101.02321	12.5
111.00750	2.2
111.72079	1.4
112.01561	1.4
113.02332	40.9
114.02651	3.2
115.00272	5.2
119.03378	1.6
125.02337	4.5
151.00311	1.5
161.04475	1.7
163.00426	1.4
174.36263	1.6
175.02428	4.5
176.11647	1.3
179.03395	1.9
185.06044	1.6
187.03969	1.6
201.38789	1.4
213.05522	1.7
220.57480	1.2
227.03461	26.0
228.03902	2.4
229.05028	6.6
255.02968	39.8
256.03613	5.5
257.04535	4.2
284.03302	50.6
285.04007	51.5
286.04404	4.7
394.16992	1.5
431.03845	2.7
431.09827	81.3
432.10098	10.6
466.20212	17.5
467.21179	100.0
468.21469	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	467.083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27776	0.9
59.01243	1.7
62.20542	1.2
69.03310	1.5
69.61079	2.8
69.61509	4.1
71.01258	6.8
72.99172	1.4
73.02808	1.7
75.00730	1.9
83.01253	1.3
83.15165	0.8
83.71591	0.9
85.02809	5.2
87.00745	0.9
89.02306	1.3
93.03349	1.1
95.01264	3.1
97.02801	1.5
98.19799	2.2
99.00747	1.7
101.02281	1.2
107.01287	5.0
108.02053	26.6
109.02847	17.1
111.00755	2.2
112.98677	1.7
113.02302	1.4
118.71446	1.0
123.00770	11.5
123.04338	1.3
124.79517	1.0
125.02341	28.4
125.68140	0.9
126.02689	1.1
127.00253	0.9
134.60477	0.9
136.98705	1.5
137.02328	2.6
139.00261	3.5
140.01024	1.3
141.01874	1.0
145.01256	1.3
149.00829	1.1
149.04367	1.1
151.00285	7.1
151.03922	1.9
152.01059	35.9
153.01851	11.3
165.01759	1.1
168.00513	3.0
169.01340	33.2
169.02786	2.0
177.01910	1.4
193.98473	3.6
194.99289	1.0
195.35738	0.9
209.02887	1.0
211.02364	1.5
211.07556	1.5
229.08661	1.0
248.79248	1.0
261.04324	3.0
313.05688	8.3
315.07227	18.2
316.07385	1.7
382.58185	0.9
423.09311	22.1
424.09592	3.0
449.07159	1.8
467.08258	100.0
468.08578	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	465.234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	12.7
58.00487	2.7
59.01253	100.0
65.26097	2.3
69.93959	13.1
71.01250	42.9
72.99179	6.0
73.02799	4.1
74.12234	2.4
83.04896	2.3
85.02837	11.9
87.00783	3.5
89.02322	50.1
95.01250	7.7
101.02330	29.5
107.01276	7.7
108.02093	2.8
109.02863	2.6
113.02317	22.8
118.02341	2.8
119.03392	19.9
123.00770	7.4
125.02333	37.8
131.03386	3.0
134.07288	4.1
137.02310	3.6
139.07504	2.8
149.02324	5.2
149.09615	24.2
151.00267	8.4
152.01064	4.6
152.58908	2.3
153.01825	5.1
161.04492	7.7
166.99733	3.6
167.09297	3.7
167.10699	50.0
169.01335	12.8
175.03871	6.7
177.01724	3.2
178.99808	3.9
179.05551	13.6
193.01328	3.6
194.99220	3.5
208.18250	2.8
210.57210	2.5
217.04959	2.7
225.14908	7.1
241.05022	5.6
243.15987	3.6
275.05634	5.1
285.04041	24.6
303.05026	16.2
405.21295	47.9
406.21515	6.4
421.07764	4.3
465.06335	25.4
465.16217	6.2
466.07117	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	465.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14796	0.2
57.03317	2.0
58.00469	0.9
59.01250	100.0
60.01586	1.3
69.49547	1.2
69.49975	1.5
71.01254	8.9
72.99206	0.7
83.01274	0.5
85.02796	1.5
87.00781	0.5
89.02314	12.6
95.01272	0.6
98.20556	0.6
101.02315	5.6
113.02336	4.5
119.03375	6.5
125.02341	3.2
131.03409	0.9
134.07317	0.5
137.09622	0.4
143.03430	1.3
149.04498	0.5
149.09621	4.2
151.00227	0.7
153.01808	0.7
153.09129	1.7
161.02562	0.3
161.04478	2.3
167.10686	8.2
168.11049	0.4
175.03966	0.4
177.01924	0.4
178.99823	0.3
179.05515	5.2
199.59488	0.3
207.71426	0.3
217.05165	0.4
225.14960	0.9
243.16144	1.3
275.05591	0.4
285.04001	2.7
286.04715	0.3
288.73218	0.3
303.05066	2.7
313.05804	0.4
405.21317	4.9
406.21692	0.6
465.23438	0.7
483.55264	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	5.9
56.61553	1.8
57.03327	6.9
58.00470	1.8
59.01251	52.0
61.98740	2.0
62.12399	1.7
69.03338	2.8
69.47775	14.8
71.01256	89.6
72.99189	6.1
73.02824	44.1
75.00783	1.8
78.95779	84.6
83.01256	17.0
85.02823	44.0
85.99961	1.8
87.00786	5.5
89.02324	22.7
95.01292	5.5
96.95934	2.6
96.96867	5.7
97.02868	6.1
98.20513	2.7
99.00766	18.7
101.02322	81.5
111.00807	2.4
113.02330	32.9
115.03876	2.4
119.03414	2.9
125.02366	8.5
129.01840	2.0
131.03442	6.1
136.05240	2.4
143.03439	3.4
149.04482	3.7
151.07610	5.6
152.99490	100.0
159.02943	8.3
161.04474	37.0
162.04852	2.1
162.48161	1.7
170.94458	1.8
215.15067	1.8
233.06720	3.8
259.53671	2.1
333.22824	97.7
334.23077	9.2
376.03992	1.9
435.10361	1.8
465.08664	3.1
465.27328	92.6
466.27802	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	465.1978
Annotation	Ustiloxin F
Peak:m/z	Relative Intensity
50.35633	0.6
51.67836	0.6
55.01758	3.1
56.95844	0.6
57.03325	8.1
58.00462	0.8
59.01254	21.2
66.15042	0.7
69.03316	1.0
71.01255	31.4
72.01579	0.6
72.99186	5.2
73.02816	4.6
75.00748	37.3
81.08421	0.7
83.01261	4.5
85.02826	43.8
85.99991	1.0
86.83733	0.7
87.00753	11.5
89.02325	4.0
95.01268	5.2
97.02791	0.8
99.00753	11.2
101.02323	8.9
103.00228	1.1
105.14222	0.6
111.00729	1.4
112.01563	1.4
113.02332	38.3
114.02662	0.9
115.00280	2.6
117.01823	2.0
125.02362	1.5
129.01851	0.9
131.03336	0.8
143.03476	0.8
157.01318	1.2
159.02922	0.7
161.04475	2.2
175.02403	3.9
209.11754	1.8
210.12151	1.6
211.12421	1.0
243.58350	0.8
255.02808	0.9
257.03488	1.0
267.93625	0.8
271.02603	0.8
273.03210	1.3
283.02411	0.8
289.16629	2.9
300.02753	0.9
302.03253	2.2
335.01474	0.7
405.17374	0.8
465.09061	3.7
465.19754	100.0
466.10040	1.2
466.20071	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	465.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	0.2
71.06173	0.7
78.95776	58.2
79.95630	0.3
93.35342	0.2
96.95909	1.7
96.96841	5.8
113.02337	0.3
140.57637	0.3
150.97864	1.5
152.99490	100.0
153.99774	1.7
171.00569	4.2
259.01025	0.2
311.22476	0.3
465.22516	15.0
466.22876	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91624	1.0
57.03330	2.2
59.01255	100.0
70.71782	2.0
71.01257	10.0
72.99193	1.1
83.01282	1.7
85.02847	1.7
89.02330	9.9
101.02335	6.0
107.56461	1.0
109.02847	1.5
111.68326	1.0
113.02318	4.5
119.03368	6.6
119.04804	1.4
125.02327	10.7
137.02332	1.6
143.03358	1.3
149.02383	3.7
151.00354	1.8
153.01839	1.1
158.66147	1.1
161.02408	1.4
166.02606	3.3
167.10600	1.2
175.03946	4.1
177.01849	1.4
179.05560	4.6
192.98979	1.1
198.03445	1.2
199.03911	5.4
211.35370	1.1
213.05576	1.6
217.04880	2.6
241.05014	6.6
243.15833	1.1
255.54031	1.4
285.04108	17.3
286.04565	1.7
303.05112	3.2
329.08798	2.5
405.21454	4.4
465.16220	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	3.3
57.03336	7.9
59.01250	25.8
60.07271	1.6
60.99931	1.5
68.99689	2.2
69.39855	16.5
71.01256	34.0
72.99179	5.6
73.02821	4.0
75.00749	39.9
83.01263	6.5
84.35233	1.4
85.02827	49.9
87.00760	11.6
89.02309	4.7
95.01261	5.8
97.02755	2.0
98.19801	2.5
99.00761	13.1
101.02345	12.2
102.28026	1.7
109.02807	1.8
111.00783	3.7
113.02334	38.0
115.00243	3.3
121.02852	2.3
125.02352	3.5
127.80347	1.9
129.01845	3.9
133.02831	1.9
135.04486	3.0
139.03897	1.8
151.00316	1.6
161.02376	1.8
161.04478	3.8
166.99744	1.8
175.02396	2.5
177.01889	3.5
191.01830	1.7
209.02927	4.0
209.11720	2.7
210.12065	2.7
211.12410	1.5
214.06239	1.8
221.30667	1.5
229.08734	3.1
229.14412	14.0
238.01460	2.0
253.09367	1.9
289.16684	2.4
301.02982	2.0
302.03555	2.6
303.04453	3.3
303.13412	4.4
344.77658	1.6
404.13974	1.7
409.99365	2.0
465.19745	100.0
466.20120	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	465.1977
Annotation	Ustiloxin F
Peak:m/z	Relative Intensity
52.24882	0.4
55.01756	2.6
57.03324	6.5
59.01252	14.6
68.99675	0.7
69.03329	1.2
71.01253	30.2
71.37518	0.9
72.99180	4.8
73.02821	5.2
75.00746	34.1
83.01268	4.6
84.02021	0.5
85.02825	38.7
86.03139	0.7
87.00756	8.3
89.02323	3.1
95.01254	3.7
97.02848	1.1
99.00756	12.4
101.02322	7.5
103.00242	1.1
111.00794	2.7
112.01540	1.4
113.02329	36.4
114.02682	0.8
115.00280	3.1
116.01047	0.6
117.01802	1.6
118.11423	0.5
125.02311	2.9
127.11226	0.6
129.01851	1.2
143.03426	0.6
157.01331	1.4
159.02895	0.5
161.04443	2.5
164.75563	0.5
173.04413	0.6
175.02419	4.0
229.14432	2.2
256.44412	0.5
273.03159	0.5
289.16516	2.1
300.02615	0.5
301.03403	0.6
301.65155	0.4
302.03363	1.1
303.04578	0.9
405.17642	0.8
410.19492	0.5
447.19147	0.6
465.19748	100.0
466.20074	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	465.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	2.9
57.03330	6.6
58.00470	0.9
59.01252	20.9
65.26286	0.6
68.99693	0.9
69.03333	0.7
69.39758	6.0
71.01256	35.9
72.99181	6.5
73.02818	6.2
75.00749	39.3
81.53395	0.5
82.09880	0.5
83.01258	5.5
84.02061	0.9
85.02824	47.6
86.03146	1.4
87.00757	12.1
87.71526	0.5
89.02324	4.6
95.01277	6.2
97.02822	1.5
98.20551	1.4
99.00162	1.1
99.00763	13.8
99.37377	0.6
101.02326	11.2
103.00244	1.2
109.02828	0.9
111.00742	1.7
112.01544	1.2
113.02335	39.7
114.02641	1.4
114.55844	0.6
115.00258	2.8
117.01841	2.7
119.03410	0.7
119.04903	0.6
125.02368	1.6
129.01822	2.4
137.02432	0.6
139.03929	0.6
141.01851	1.1
143.03387	0.8
145.93336	0.6
151.00261	0.8
151.66998	0.7
157.01295	1.8
161.04451	2.2
161.54251	0.5
173.04448	0.8
175.02446	3.7
289.16525	3.3
300.02896	0.6
301.91333	0.7
302.03558	1.1
336.70728	0.6
451.72119	0.7
465.19757	100.0
466.20096	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	465.1767
Annotation	3',5-Dihydroxy-3,4,4'-trimethoxybibenzyl-5-O-glucoside
Peak:m/z	Relative Intensity
50.51836	0.4
53.80179	0.6
57.03341	0.6
59.01257	9.0
61.98742	1.1
70.32213	2.1
71.01295	2.0
72.40544	0.5
73.02842	0.9
78.95814	2.0
97.02850	0.6
99.08115	0.5
101.02379	1.2
101.05952	0.7
113.02348	1.3
113.93424	0.5
119.98785	0.5
125.02395	0.8
125.05987	1.5
125.42350	0.5
131.04921	0.6
148.05246	0.7
149.04689	0.6
149.05939	0.8
152.99466	3.1
154.99976	0.7
159.04465	1.4
161.02396	2.4
162.03174	0.7
163.03964	0.7
166.02617	0.7
175.03958	4.9
176.04802	1.3
177.05589	0.6
187.04024	0.7
188.04663	0.7
189.01872	1.0
189.05608	0.9
190.06448	0.9
203.03499	2.1
204.04207	0.6
205.04939	0.6
215.07100	0.8
217.08553	1.0
219.06606	4.3
231.06694	3.4
232.11055	2.0
233.08148	3.3
233.11806	0.8
242.09364	0.8
243.10242	0.8
244.07404	0.6
245.08168	14.8
246.08894	4.2
247.09572	1.0
257.08017	0.6
258.08981	1.8
259.06387	0.6
259.09753	3.8
260.06931	1.1
260.10510	6.5
261.07654	2.6
261.11203	0.8
270.08926	1.3
271.09787	1.0
272.10577	1.6
273.07693	2.5
274.08414	0.6
285.07544	0.9
287.09464	0.8
288.10059	11.7
289.10513	0.8
299.12659	0.6
300.10049	1.3
301.10849	1.3
303.08896	0.8
303.12381	15.8
304.12927	1.0
315.09839	0.4
315.12497	5.0
317.13861	6.2
318.11102	1.2
327.12497	1.0
329.13876	3.6
345.13428	100.0
346.13745	8.7
357.13400	5.4
358.13635	0.7
375.14493	32.2
376.14822	3.0
387.14502	1.6
389.15668	0.6
405.15469	0.6
447.16522	3.9
465.17581	19.1
466.18097	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1041
Annotation	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
54.95096	0.8
57.03326	12.2
57.74516	0.8
59.01258	10.0
63.02255	1.0
65.00200	2.3
70.91315	2.4
71.01262	5.3
73.02804	1.2
75.00745	2.3
78.81276	0.8
81.03311	1.3
83.01255	5.6
84.48174	0.7
85.02834	5.0
85.63832	0.9
85.95021	0.9
87.00764	1.2
89.02336	2.4
93.03322	1.6
95.01257	3.0
99.00809	1.0
101.02319	2.9
107.01294	5.1
108.02019	2.2
109.02831	4.5
111.00782	2.3
113.02332	2.4
119.04894	1.1
121.02847	2.3
123.00784	1.7
123.04413	4.4
124.01566	5.2
125.02342	100.0
126.02657	2.6
129.01860	1.4
137.02376	4.4
139.00272	1.0
139.03894	2.0
147.04375	1.8
149.02379	5.0
150.03204	4.3
151.00262	13.3
151.03928	9.4
152.01082	10.1
153.01849	12.1
161.02328	3.2
161.04501	1.6
161.05937	1.6
163.00334	1.6
163.03954	1.5
165.01868	4.4
165.05482	0.9
169.01324	5.2
171.04497	1.3
173.06006	1.5
174.03217	4.1
175.02498	1.7
175.03928	19.3
175.19334	1.0
177.01857	23.1
178.99763	13.9
180.00343	0.8
181.01370	3.3
185.06041	1.1
188.04669	2.1
189.05540	5.5
191.03419	1.7
193.04991	1.2
199.03973	9.6
201.01849	3.6
209.02892	1.4
213.05560	2.4
216.04214	1.6
217.05038	11.7
219.02870	1.3
231.06664	1.1
241.05040	9.0
243.02840	2.2
257.04529	2.4
258.05325	1.1
259.06055	4.8
273.07596	1.0
275.05563	5.0
284.75485	0.9
285.04047	77.4
286.04437	4.8
301.03214	1.2
302.03470	2.8
303.05124	63.1
303.08517	4.1
304.05405	3.2
313.05740	1.1
317.01242	1.1
405.21350	2.6
447.08929	1.5
465.10272	41.4
466.10660	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	465.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	3.5
59.01244	1.3
59.31659	0.8
64.78667	0.8
69.03328	1.4
69.70315	5.6
77.03847	1.0
78.52353	0.8
81.03335	2.3
83.01251	4.2
93.03342	2.3
95.04928	1.8
97.02838	6.0
98.19941	1.8
98.20522	1.5
108.02073	1.2
109.02841	18.5
109.03600	1.1
113.02318	0.9
117.03386	0.8
121.02859	5.6
123.04426	11.8
125.02337	27.6
132.02077	6.4
134.03642	7.6
135.04407	2.3
137.02341	28.4
138.02811	1.0
139.03928	3.0
143.08359	0.8
145.02881	5.4
146.03651	1.3
149.02350	6.4
149.06006	2.9
150.03064	1.0
151.03934	7.2
159.04388	3.0
160.01579	24.5
160.05186	1.1
161.02338	5.2
161.06018	4.3
162.03148	3.2
163.03928	2.6
164.01056	2.9
165.01851	40.0
166.02219	1.2
167.03555	1.0
175.03926	30.9
176.04265	1.4
177.01788	1.7
178.02625	1.0
179.03421	4.8
183.13811	3.4
184.05255	0.7
184.14209	1.5
185.06018	1.9
185.14482	1.2
187.03931	5.1
188.04741	4.2
189.01918	1.5
193.04970	5.6
202.06291	1.8
203.03542	1.0
203.07048	9.8
205.04976	6.5
213.05536	1.2
217.01399	1.1
221.08148	2.7
227.07118	2.8
245.08237	13.8
253.05115	1.3
255.31883	0.9
257.42404	0.8
271.06079	5.5
283.09598	1.0
289.07190	100.0
290.07492	7.9
298.92813	1.0
299.09247	9.4
315.05493	1.1
315.08649	4.5
337.10532	1.3
341.06592	5.3
465.11893	4.7
465.22403	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1039
Annotation	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
57.03329	6.7
59.01255	10.4
63.02246	1.3
63.42134	1.0
65.00185	3.6
69.47129	8.8
71.01260	5.9
72.99215	1.1
76.69962	1.1
83.01267	5.6
85.02829	2.6
89.02322	4.6
95.01267	3.0
101.02357	2.8
107.01292	5.0
108.02042	2.5
109.02837	5.3
113.02332	2.4
119.03383	1.1
121.02841	2.3
123.00771	3.4
123.04408	4.5
124.01582	1.9
125.02338	100.0
126.02663	3.8
135.00842	1.5
137.02350	5.1
139.00269	1.7
139.03882	3.6
147.04395	1.3
147.31163	1.0
149.02342	11.7
150.02985	1.5
151.00270	24.5
151.03859	1.6
152.01041	4.9
153.01839	27.2
161.02370	1.5
165.01816	2.3
166.02516	1.4
167.03375	3.4
169.01326	5.3
174.03154	1.5
175.00299	5.7
175.03964	9.9
176.01083	1.2
177.01849	18.5
178.99789	20.9
179.03297	1.3
179.05524	1.3
180.00090	1.4
181.01338	14.5
185.84422	1.4
188.04654	1.7
189.05481	3.5
191.03439	2.6
193.01270	1.7
195.02834	2.2
199.03897	4.5
201.01884	1.8
205.01237	2.3
216.04184	1.2
217.05023	4.9
241.05031	3.9
259.06107	3.6
275.05576	22.3
285.04047	54.6
286.04358	4.0
299.05600	8.4
303.05090	70.7
304.05386	4.6
313.05670	2.8
315.07437	1.3
327.05060	1.6
329.06326	1.4
341.05182	6.8
343.06696	7.1
380.35934	1.2
405.21252	3.0
437.10785	2.4
447.09280	4.7
465.05923	1.9
465.16232	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1036
Annotation	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
50.76030	1.8
57.03322	9.8
59.01252	23.0
65.00192	3.5
69.70841	7.7
69.71280	6.4
71.01257	6.3
73.02815	3.5
83.01273	7.9
85.02840	4.8
89.02335	3.3
91.62668	1.8
95.15131	1.9
99.00716	1.9
101.02340	6.4
107.01266	8.6
109.02831	4.1
113.02342	3.7
116.83960	1.8
123.00779	2.0
123.04404	7.4
124.01486	3.2
125.02342	100.0
133.02829	2.6
141.09023	3.2
149.02406	9.1
151.00264	33.4
151.03973	4.6
152.00986	3.2
153.01863	23.5
161.04468	4.2
163.00272	5.5
169.01376	6.5
175.03915	16.5
176.01103	3.6
177.01869	23.8
178.99783	14.3
181.01390	2.8
187.66566	2.0
188.04688	2.5
189.05440	2.6
199.03967	11.0
201.01886	2.9
205.48093	1.9
213.05528	3.4
217.05066	9.4
228.94853	1.9
231.06497	2.4
241.05017	6.2
243.15970	8.0
257.04495	2.6
275.05713	7.3
285.04050	96.9
286.04251	10.0
291.09717	2.3
292.56671	2.0
303.05112	66.2
303.08517	3.6
304.05423	4.1
341.05115	3.0
405.21231	6.3
447.09341	2.4
465.10629	2.4
466.68179	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1036
Annotation	Taxifolin 3'-glucoside
Peak:m/z	Relative Intensity
57.03322	6.1
59.01259	7.1
63.02257	1.7
65.00195	5.8
67.75969	1.6
69.03315	1.7
71.01247	5.3
71.57480	2.1
71.57854	1.7
75.00732	4.6
77.88214	1.3
79.01751	1.3
79.41657	1.3
80.03365	1.2
81.03318	2.2
83.01249	7.7
85.02805	1.9
87.00764	2.8
88.32059	1.5
93.03329	3.8
95.01244	12.4
97.02822	5.7
99.00764	10.1
101.02303	3.1
102.66192	1.3
107.01281	10.6
108.02093	1.8
109.02831	3.8
109.99943	2.4
111.00772	5.8
113.02311	3.1
117.03342	2.6
119.04886	2.0
121.02815	4.6
123.00761	13.6
123.04413	9.0
124.01554	2.4
125.02341	66.2
126.02647	2.9
131.04901	2.0
133.02853	8.0
135.00847	1.6
136.98662	3.4
137.02330	6.0
139.00270	28.2
139.03885	2.2
140.01044	33.9
141.01845	49.3
148.01558	2.3
149.02361	9.1
149.99480	4.2
150.03114	2.0
150.99118	2.8
151.00269	37.8
151.03920	15.5
152.00998	2.2
153.01823	18.3
163.00294	3.3
165.01869	4.0
165.99011	4.5
166.99762	33.5
167.03436	4.7
168.00552	52.7
169.01323	10.5
171.04364	2.3
174.03119	2.2
175.03958	8.3
177.01862	12.7
177.98976	4.6
178.99782	12.1
179.03386	3.9
180.00131	2.3
181.01303	4.7
185.00888	1.9
185.05975	3.0
189.05527	3.8
190.99808	3.4
191.03378	1.6
192.00514	2.7
193.01302	2.0
194.99275	33.5
195.02911	9.7
195.99893	1.6
199.03920	3.1
200.04762	1.7
201.01880	1.7
201.05563	1.9
203.03400	5.4
203.25928	1.4
213.05486	6.4
215.03552	2.2
217.04967	9.0
229.05009	5.2
231.06590	1.6
241.04993	9.0
256.03616	1.7
257.04462	7.3
259.06082	4.2
274.04846	11.6
275.05582	33.8
276.06055	3.5
284.03323	4.2
285.04037	71.7
286.04376	5.1
287.05423	1.6
301.03400	2.4
302.04279	5.1
303.05057	57.5
303.08386	4.3
304.05402	3.8
313.05719	2.5
357.08307	4.1
358.05200	2.1
362.77005	1.7
405.21359	2.1
437.10904	22.1
438.11356	2.1
447.09512	7.0
465.10339	100.0
466.10709	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	465.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.2
59.01235	4.4
61.98695	3.9
65.26392	1.3
69.28210	10.4
69.28629	1.8
71.01251	2.6
75.00745	3.7
78.95762	2.6
79.87363	1.3
85.02834	1.6
85.33106	1.0
86.92278	1.1
94.62972	1.1
98.19787	2.4
101.02306	1.6
109.02837	2.4
113.02296	1.6
125.02319	2.8
132.02052	1.4
133.02876	2.8
137.02313	3.7
139.42227	1.2
142.94235	1.1
143.53459	1.3
168.75842	1.2
177.01721	2.2
193.01309	3.4
212.69273	1.3
223.03967	3.0
224.04810	1.1
244.07222	1.8
251.03497	2.2
252.04239	34.5
253.04634	3.1
261.11292	1.6
267.06604	100.0
268.06915	7.1
285.04129	1.4
303.08603	2.5
464.33350	2.0
465.27078	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	463.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	2.5
65.61092	1.3
78.95786	3.9
80.59801	1.3
105.03344	2.1
108.61246	1.5
113.98830	1.3
117.03345	2.6
121.02820	2.5
130.09584	1.3
132.02124	6.2
133.02849	17.4
134.03642	38.9
135.04433	17.7
137.02351	9.8
139.03963	2.8
141.71133	1.2
148.99979	5.5
149.05956	4.7
150.03102	1.8
152.99512	2.1
160.01578	33.6
161.02353	17.4
161.05988	3.2
162.02977	1.6
167.25079	1.2
175.03926	74.1
176.04271	5.5
178.02655	3.5
179.03392	9.6
193.05000	16.7
194.02025	1.5
194.98819	14.6
209.11774	2.6
217.00174	2.5
227.12984	2.3
243.02869	2.2
255.02945	3.9
265.04944	1.5
269.21323	1.5
271.02487	6.4
276.05911	1.3
277.21649	2.3
287.22202	7.6
295.22751	6.4
300.02872	10.8
301.03397	9.5
321.04095	1.5
361.20511	2.1
365.10297	7.7
431.24323	2.3
446.03836	1.4
463.09875	8.4
463.17334	4.9
463.26984	100.0
464.27444	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	464.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	25.7
59.10202	2.1
61.98703	100.0
68.95024	1.9
69.29440	22.9
69.68993	2.0
71.01240	4.5
78.95800	10.5
83.01230	1.9
98.19865	6.6
98.20559	4.8
100.08488	2.2
105.04444	2.5
152.99477	7.4
176.55879	2.1
236.05003	2.0
318.76028	2.0
325.34753	2.7
327.97870	2.4
338.25220	2.1
375.82050	2.2
404.83133	2.1
465.14587	2.9
478.37427	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	3.7
71.01250	17.2
71.56228	3.7
71.56613	4.8
73.82693	3.4
89.04993	3.4
115.00254	37.4
123.00803	8.6
125.02338	13.8
133.01324	100.0
134.82692	4.0
156.95088	3.5
164.59064	4.5
166.44485	3.7
169.01349	17.1
171.01778	4.1
238.98083	3.8
265.22787	3.8
331.06644	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	463.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48342	0.8
59.01247	3.4
71.75924	0.8
78.95775	10.8
99.82193	0.9
105.03362	1.7
117.03345	3.1
121.02824	1.9
132.02055	5.4
133.02858	19.0
134.03636	38.4
135.04436	19.3
136.04803	1.4
137.02333	8.3
139.03902	2.8
148.99989	7.1
149.02426	1.0
149.05980	4.4
150.03108	2.2
151.00281	1.3
152.99522	4.0
160.01569	33.1
161.02373	18.9
161.06021	4.1
162.02925	1.2
175.03923	72.1
176.04251	4.0
178.02621	6.0
179.03439	11.4
193.04988	18.6
194.02118	1.8
194.98796	25.7
209.11749	1.8
217.00281	2.1
229.94138	1.3
243.03008	1.4
255.03098	3.2
265.04236	1.2
269.21277	2.5
271.02463	5.0
287.22266	11.0
295.22482	2.9
300.02795	8.5
301.03561	5.9
361.20172	3.1
431.24374	5.8
432.25284	0.9
441.17624	1.0
463.11346	18.0
463.27036	100.0
464.10541	2.3
464.27322	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	463.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44245	0.5
52.99711	0.5
55.01757	0.5
57.03326	0.5
58.00454	2.1
59.01251	37.8
61.21039	0.4
63.02252	1.0
65.00198	1.3
71.01254	34.7
71.58275	0.6
72.01589	0.4
72.99178	2.7
73.02822	9.0
75.00751	1.5
78.95776	15.1
83.01279	2.1
84.87556	0.5
85.02814	3.6
87.00768	0.8
89.02316	54.1
90.02650	0.7
95.01260	1.2
96.95903	0.6
96.96836	1.2
97.02802	0.6
99.00755	16.9
101.02320	20.5
107.01279	4.1
113.02336	7.0
119.03394	7.2
125.02324	4.3
131.03391	9.8
132.02045	0.7
133.02835	13.1
134.03195	0.8
143.03386	1.7
146.03683	0.5
149.02388	2.5
149.04463	28.6
151.00256	8.2
152.99487	19.0
153.00751	0.8
161.04459	1.3
175.03937	3.9
179.05534	1.2
183.04433	1.1
187.03951	0.7
191.05530	7.5
192.06000	0.4
198.03099	0.7
199.03960	3.3
201.01897	1.4
211.04132	0.5
213.05449	0.6
215.03365	0.7
217.00269	2.8
217.05042	2.1
221.06677	0.8
223.03961	0.5
227.03375	2.3
233.06752	0.8
241.04997	0.9
243.02902	1.0
251.07706	2.5
255.02966	33.4
256.03732	28.6
257.04263	2.8
269.04486	0.6
271.02536	2.1
281.04593	0.7
283.02481	44.4
284.03244	72.6
285.04019	100.0
286.04388	7.9
300.02737	3.2
301.03433	1.7
303.96890	0.5
326.04214	1.1
405.09848	0.6
417.09979	0.5
433.09378	0.7
445.09198	2.3
463.10263	13.1
463.20743	2.6
463.26456	5.8
464.10532	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72546	0.4
54.43299	0.4
55.01760	2.8
57.03322	1.6
58.00457	0.5
59.01254	16.5
61.98700	0.5
62.95893	0.3
62.96266	0.5
65.00166	0.4
65.36707	0.3
68.30194	0.3
69.03318	1.0
69.45673	3.4
71.01258	28.0
72.99180	1.6
73.02823	11.3
75.00747	0.7
77.79747	0.3
78.95780	74.2
79.95647	0.4
81.03339	0.4
83.01262	4.9
85.02828	11.8
85.99999	0.8
87.00766	1.4
89.02328	10.8
95.01251	1.8
95.56099	0.4
96.95885	0.6
96.96844	6.2
97.02853	1.1
99.00756	5.1
101.02327	22.1
102.02644	0.5
107.01256	1.0
111.00758	0.9
113.02336	9.9
115.03912	0.6
119.03395	2.6
121.02871	0.5
125.02325	2.2
129.01881	0.5
131.03433	1.8
133.02843	2.5
136.90749	0.4
143.03384	2.1
149.02328	0.7
149.04512	1.5
150.97943	1.8
151.00261	2.3
152.99496	100.0
153.99867	1.1
159.02951	1.4
161.04482	12.0
161.05826	0.7
171.00592	2.6
179.05515	0.6
186.94952	0.4
193.78317	0.4
197.11780	1.1
199.03911	0.8
205.03448	0.6
209.11745	1.7
227.03476	1.1
227.12918	0.5
233.06667	1.4
243.02960	1.1
255.02975	10.8
256.03738	7.8
257.04260	1.0
261.18945	0.4
271.02478	3.0
283.02505	13.5
284.03256	21.2
285.04019	20.5
286.04404	1.9
300.02728	4.7
301.03561	3.7
331.21262	25.7
332.21597	2.0
375.19955	0.6
395.11227	0.4
411.89581	0.4
433.08960	0.8
445.09222	0.6
463.10114	4.7
463.20834	13.2
463.25674	21.9
464.20200	1.8
464.26099	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.1
71.58527	0.9
71.58898	0.9
78.95776	29.0
80.36619	0.8
95.51926	0.8
96.95913	1.4
104.97327	1.1
110.98418	17.7
113.09605	2.3
123.07364	0.9
135.04390	1.9
148.99985	4.0
151.00238	1.3
152.99466	2.3
161.02344	6.6
167.01068	18.9
169.12372	0.9
171.10223	0.9
174.99164	1.2
179.03371	0.8
179.14323	1.8
185.02159	5.4
194.98785	14.3
195.13840	18.7
209.11749	2.5
217.00203	2.8
255.02956	2.2
271.02426	4.6
272.02774	0.9
277.21753	16.5
278.22107	1.4
295.22781	100.0
296.23163	9.8
300.02826	8.3
301.03491	5.4
306.85892	1.1
380.42542	0.9
463.10712	10.0
463.24628	44.4
464.24765	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	463.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82491	0.5
57.03337	1.3
59.01236	2.6
66.93655	0.5
78.95778	9.8
78.96218	0.7
81.03379	0.5
96.95993	0.6
104.59233	0.5
110.98417	7.1
113.09609	2.6
121.02855	0.7
151.00380	0.6
152.99490	3.1
167.01082	3.7
171.10233	0.9
177.12799	0.7
179.14307	1.3
185.02110	5.1
195.13835	15.6
196.14201	0.7
209.11809	3.3
217.00204	1.3
227.12750	1.0
229.57098	0.5
243.02953	0.9
255.02994	1.8
271.02490	3.3
272.02536	0.8
277.18600	0.6
277.21695	13.4
278.22046	1.1
295.22784	100.0
296.23111	8.7
300.02631	5.5
301.03531	3.4
463.09109	3.4
463.24619	16.9
464.24835	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12687	0.4
59.01251	1.2
63.73269	0.4
65.85455	0.4
70.98076	0.7
70.98412	0.9
71.01246	0.5
78.95781	20.5
96.95871	0.4
96.96829	2.0
99.82405	0.4
109.02799	0.5
113.68568	0.4
123.04398	0.6
124.01554	3.6
125.02363	4.2
135.04407	0.5
137.02322	1.4
138.03145	0.8
147.04457	0.4
148.05225	0.4
149.02357	1.7
149.13297	0.9
150.03133	2.0
151.00258	0.7
151.03946	2.3
152.01054	1.0
152.04718	0.8
152.99493	23.6
157.79222	0.5
159.04358	1.0
161.02393	2.1
162.03088	1.6
163.03955	4.1
164.01044	0.5
164.04639	2.1
166.02614	0.8
168.00562	1.1
169.01311	1.3
171.00549	0.8
171.10184	1.1
172.05217	1.2
173.05960	1.0
174.03207	0.8
175.03915	6.9
176.04721	6.0
177.05438	1.8
178.02722	0.6
185.05962	0.6
185.11748	1.3
185.13239	0.5
186.06778	1.2
187.07574	0.6
189.05536	2.2
190.06303	1.1
191.14270	0.8
192.00558	2.9
193.01373	7.1
201.05473	2.0
201.12656	0.7
203.07057	1.8
203.14369	1.8
204.07825	1.3
205.01360	1.9
206.02184	0.7
209.00876	1.8
209.11678	0.9
211.07639	0.5
214.46930	0.4
219.02908	3.0
219.13925	2.3
229.12299	1.7
230.13257	0.4
232.11017	1.6
233.11823	3.6
247.13379	41.2
248.13724	3.5
249.14906	1.9
255.03047	0.8
258.12759	0.7
271.02286	2.1
273.11209	2.1
277.10709	0.6
291.12384	13.5
292.12735	1.2
295.21857	0.5
300.02768	3.3
301.03430	2.2
301.14529	1.0
319.15689	0.5
365.20984	0.5
383.22391	4.0
401.23264	5.0
419.24438	4.1
445.22238	1.2
463.10025	2.2
463.23401	100.0
464.23657	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	463.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	2.9
59.33558	0.9
66.50237	0.8
71.01228	1.2
71.58752	2.0
78.95777	4.5
90.16058	1.0
96.24126	0.8
96.95827	1.2
110.47027	0.9
110.98406	1.1
121.02847	7.0
124.01551	6.5
125.02346	6.2
151.00252	2.9
151.03954	1.8
152.04698	1.5
152.99501	6.5
160.05186	3.4
161.02354	1.6
162.75999	1.0
163.03911	2.6
164.04745	1.3
168.00487	1.7
169.01302	2.0
171.10161	1.4
175.03934	4.8
176.04695	4.8
185.02097	1.1
185.06047	1.0
186.06822	1.6
189.05652	1.0
192.00565	3.7
193.01385	5.9
195.13799	2.4
197.11742	1.8
201.05521	1.3
201.09721	1.0
203.07184	1.2
203.65039	0.9
205.01329	1.5
209.11729	5.2
214.66919	0.9
217.00136	1.3
219.02963	3.1
219.13733	1.0
225.66307	1.0
232.11108	1.1
235.13358	1.6
243.02901	1.9
247.13284	5.6
248.13658	1.4
255.02928	2.3
257.15323	1.8
271.02475	5.9
273.14822	2.3
277.21640	2.2
283.13373	1.7
287.12720	1.1
291.12308	4.3
295.22708	14.9
300.02676	9.4
301.03442	9.2
301.14410	14.4
302.14893	1.1
304.13153	1.1
319.15350	5.5
345.13525	2.2
363.14398	3.6
383.22238	4.2
401.23233	4.3
419.24344	2.6
420.24561	1.1
445.22278	2.9
463.09485	7.7
463.23367	100.0
464.23630	13.1
464.30127	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	463.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76106	0.5
57.03316	1.1
59.01256	13.7
69.36443	3.7
69.36871	2.2
71.01256	8.0
72.99184	3.1
73.02836	1.3
74.02342	1.4
75.00752	100.0
76.01095	1.0
79.72354	0.6
81.09653	0.6
83.01257	1.1
83.04915	1.3
85.02827	5.2
85.06509	0.6
87.00759	2.4
89.02329	5.6
91.01783	2.3
93.03307	0.7
95.01263	1.0
99.00770	1.5
101.02333	4.9
102.19891	0.5
107.01208	0.8
109.01603	0.6
109.02857	3.6
111.00734	0.6
113.02345	4.1
119.03391	1.6
121.02783	1.1
123.00780	2.0
124.01517	0.6
125.02366	1.8
135.00774	2.9
135.04443	1.2
137.02385	0.6
143.03381	0.7
149.02364	2.2
149.04424	0.7
150.03168	1.3
151.00246	2.9
151.03909	0.9
152.94130	0.6
153.01860	4.2
161.04489	1.4
163.00291	4.7
164.50775	0.6
165.05434	0.9
165.09113	0.9
169.01317	1.0
177.01698	0.7
178.99843	1.1
179.05518	1.2
209.11790	16.6
210.12129	1.6
211.03960	0.8
213.05658	0.6
213.11337	0.6
223.13329	0.8
227.12892	3.1
241.14442	2.4
243.02992	1.2
253.09334	2.4
255.03035	1.3
258.05209	0.9
268.03842	3.1
269.04395	0.8
271.02438	2.7
272.03180	1.4
273.07727	2.8
283.06107	6.8
283.11264	2.0
284.06650	0.7
285.04132	0.9
300.02750	15.5
301.03537	14.9
301.07239	3.0
302.03821	1.4
343.04642	0.9
345.00555	0.8
352.21756	0.6
369.16467	0.6
403.19867	1.9
419.19302	1.0
463.07996	13.8
463.22891	2.6
464.09216	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	9.6
59.01250	96.4
67.69966	2.5
69.03329	17.0
71.01252	34.9
72.99191	3.9
73.02822	6.4
75.00736	3.3
83.01263	4.4
85.02831	13.8
87.04391	2.5
89.02311	21.6
89.38567	2.0
91.38918	2.0
95.32294	1.8
96.85631	2.0
97.86057	1.8
99.04382	2.3
101.02322	16.5
105.00332	2.0
113.02330	15.0
115.27901	2.1
119.03365	6.7
125.02308	7.3
135.04428	2.1
138.06761	8.3
151.00266	7.0
153.09117	21.8
157.21213	2.2
161.04488	14.7
161.05603	2.4
165.01915	2.6
169.01393	5.0
169.26033	2.1
178.99658	4.0
179.05495	5.9
205.12241	4.6
212.90057	2.3
223.13376	9.4
241.14430	100.0
242.14845	5.0
283.11707	4.7
284.99957	2.3
300.02515	2.5
301.03470	5.1
334.16165	2.3
334.48517	2.0
341.05054	5.2
373.14056	2.6
403.19574	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	463.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16605	0.4
55.01781	0.5
57.03327	0.8
58.03668	0.4
59.01251	9.3
59.01529	0.6
60.01615	0.6
65.00197	0.8
67.01780	0.5
71.01256	8.6
71.59790	0.4
72.99201	1.2
73.02840	1.1
75.00763	2.6
80.02551	0.9
81.03321	0.9
83.01292	1.5
83.04895	3.4
84.02041	1.1
85.02826	6.7
86.03178	0.8
87.00774	1.9
89.02318	4.2
93.03349	2.0
95.01270	1.6
95.04883	0.5
97.02869	0.6
99.00781	1.8
101.02325	5.0
103.00243	0.8
107.01261	2.6
108.02123	1.1
109.02850	2.0
111.00769	1.0
113.02334	7.5
114.02677	1.5
114.21622	0.5
115.00266	0.6
117.03382	0.5
119.01266	0.6
119.03415	0.9
121.02841	4.4
122.93533	0.4
123.04401	0.5
124.01587	0.7
125.02326	2.5
127.99461	0.4
129.01862	0.7
133.02838	2.1
135.00807	0.8
135.04445	0.6
136.01498	0.4
137.02351	0.9
139.03888	0.4
143.04961	0.6
145.02852	0.6
147.00844	0.5
147.11833	0.5
148.01566	1.1
149.02341	4.1
149.05992	1.7
151.00279	8.1
151.03940	0.5
152.00815	0.6
153.01881	0.9
155.10692	0.9
159.04327	0.6
159.07317	0.5
161.02376	1.1
161.04420	2.3
163.00287	2.4
163.11212	3.2
164.00819	0.8
165.01817	0.4
165.12764	2.7
169.01364	2.4
174.03159	0.4
175.02437	1.3
176.02800	0.6
177.03073	0.5
178.99796	3.7
179.05644	0.6
181.12317	0.7
185.05991	0.8
186.06285	0.6
187.03955	1.2
187.06563	1.0
189.04344	0.5
191.10727	1.0
193.01323	0.4
199.03876	0.9
209.11774	100.0
210.00983	0.5
210.12128	5.9
211.03918	1.2
213.05525	0.5
226.02708	0.9
227.03432	2.7
227.12836	14.4
228.03931	1.1
228.13152	0.9
229.05135	3.4
230.05333	2.0
231.05478	2.5
241.04790	0.5
241.14449	0.6
243.02969	7.0
244.03310	0.7
253.09256	12.3
254.02158	1.1
254.09439	0.6
255.02954	14.6
256.03378	1.4
257.04388	1.5
257.08289	0.5
258.04712	1.4
259.05078	2.2
271.02472	31.1
271.05890	2.1
272.02927	3.9
273.03949	0.8
283.02408	0.9
285.04062	15.1
286.04361	12.4
286.08368	2.8
287.04611	28.1
288.04907	2.0
296.89407	0.5
299.01956	0.9
300.02744	55.8
301.03500	32.7
301.07086	3.2
301.10553	8.4
302.03918	2.7
302.07089	0.6
302.11053	0.8
313.05637	0.7
331.17587	0.8
463.08640	36.9
464.08798	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	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.6
58.00462	0.5
59.01250	8.9
69.03373	0.4
69.77714	2.4
71.01254	5.6
73.02822	1.3
76.62979	0.4
83.01249	0.7
85.02831	1.9
87.00752	0.7
89.02317	4.7
92.39833	0.3
95.01251	0.5
98.19933	0.9
101.02325	5.8
111.08041	0.4
113.02319	3.2
117.97932	0.4
119.03395	1.4
121.02786	0.4
125.02328	0.5
143.03441	0.5
161.04483	2.3
165.12772	7.9
179.05475	0.7
183.13832	100.0
184.14160	6.2
209.11780	2.7
227.12836	11.5
228.13206	0.6
235.08192	1.5
253.09239	8.9
254.09731	0.5
255.06621	1.5
271.06052	1.5
286.08475	1.6
301.10843	6.3
301.16357	0.6
302.11166	0.7
438.62698	0.4
445.20657	1.0
459.47556	0.4
463.21844	54.8
464.22217	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	463.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01735	0.5
57.03322	0.6
58.00467	0.3
59.01251	7.2
69.03358	0.3
71.01259	4.1
71.20874	0.7
72.99172	0.4
73.02825	1.5
83.01263	0.4
85.02824	1.9
87.00757	0.4
87.24416	0.2
88.31067	0.3
89.02322	2.7
95.01273	0.5
97.02795	0.3
97.06432	0.3
98.20036	0.3
99.00745	0.4
101.02323	3.8
103.03922	0.3
109.02836	0.5
111.08038	0.8
113.02349	1.5
119.03391	0.7
121.02919	0.5
125.02315	0.5
133.04993	0.6
149.02336	0.4
151.21941	0.3
161.04536	1.2
163.03983	0.3
165.12773	8.1
166.13011	0.3
169.01283	0.3
179.05577	0.7
183.13831	100.0
184.12643	0.5
184.14172	5.7
209.11783	1.9
221.69424	0.3
227.12845	11.8
228.13197	0.7
235.08168	1.5
243.02936	0.3
253.09265	5.1
255.02968	0.4
255.06569	1.2
256.03732	0.6
271.02521	0.8
271.06125	2.2
286.05228	0.3
286.08325	1.5
287.05078	0.3
287.08603	0.3
300.02722	1.1
301.03497	0.6
301.07288	0.6
301.10791	6.6
302.11127	0.4
445.20724	1.0
463.21863	47.3
464.22147	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41069	0.3
55.01754	0.4
57.03325	0.7
58.00461	0.6
59.01254	15.8
63.02268	0.5
65.00199	0.5
69.03300	0.5
69.34750	0.6
69.35099	3.5
69.99728	0.3
70.37129	0.3
71.01260	6.2
71.04881	0.4
71.30375	0.3
72.99187	0.9
73.02828	1.0
74.02326	0.5
75.00753	1.7
80.02551	0.7
81.03329	1.6
83.01260	0.8
83.04899	5.7
83.52428	0.3
84.02045	1.1
85.02829	4.4
87.00743	0.8
89.02316	4.3
89.02820	0.4
93.03307	0.4
95.01270	0.5
95.04910	0.6
97.02803	0.6
98.20504	0.6
99.00776	0.9
101.02320	4.2
105.01782	0.4
107.01267	0.7
108.02073	0.5
109.02831	1.0
111.00757	0.6
113.02325	4.7
115.00293	0.4
119.03407	0.9
121.02831	1.3
125.02321	1.0
129.01860	0.5
135.04474	0.5
135.08041	0.8
149.02354	0.5
151.00290	3.2
155.10632	0.5
159.04472	0.5
161.02368	0.4
161.04483	1.2
163.00261	0.9
163.03882	0.3
163.11198	4.4
164.01108	0.4
164.04630	0.4
165.01804	0.5
165.12721	2.5
169.01360	1.2
177.01735	0.4
178.99763	1.5
179.05470	0.6
181.12224	0.5
187.03897	0.5
191.10698	1.3
199.03894	0.3
199.13345	0.6
203.08339	0.8
208.06747	0.3
209.11775	100.0
210.12115	5.3
211.03804	0.4
227.03447	1.1
227.12848	14.9
228.04147	0.4
228.13138	1.4
229.04935	0.5
243.03008	2.2
253.09253	11.5
254.09726	0.6
255.02982	5.7
256.03412	0.9
259.05057	0.4
271.02487	11.4
271.05496	0.4
272.02759	1.6
273.03995	0.5
283.02277	0.5
285.03998	3.2
286.04343	2.8
287.01764	0.7
287.04596	5.2
300.02762	18.4
301.03513	12.1
301.06870	0.5
302.03848	1.2
331.13113	1.6
403.19736	1.3
463.08783	12.3
463.17764	1.9
464.08939	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	463.2102
Annotation	Garciniaxanthone E
Peak:m/z	Relative Intensity
56.67703	0.2
59.01234	0.5
62.96252	0.4
71.13081	0.3
71.13448	0.5
73.61829	0.2
78.95775	75.3
96.96844	5.8
101.51331	0.2
127.95177	0.2
135.35245	0.2
144.09462	0.2
146.10365	0.2
150.97925	1.7
152.99489	100.0
153.99855	1.3
162.63490	0.2
164.77177	0.3
171.00542	3.0
192.53278	0.2
195.13858	0.4
239.03493	0.4
255.02939	0.3
262.97556	0.2
267.02985	0.4
269.04565	0.3
271.02484	0.5
291.19647	0.3
300.02826	0.7
301.03479	0.6
309.20874	0.3
358.16956	0.3
364.99579	0.3
403.15640	0.5
463.09998	0.5
463.21030	19.0
464.21567	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	463.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.8
57.03322	1.2
58.00460	0.4
59.01256	9.5
61.98701	0.6
64.64934	0.3
69.03315	0.4
71.01257	12.4
71.59542	0.4
72.99165	0.8
73.02821	5.2
78.95780	63.6
82.46048	0.3
83.01262	2.1
85.02823	6.5
87.00761	0.6
88.37737	0.3
89.02318	4.0
95.01283	1.1
96.95863	0.5
96.96848	6.5
97.02821	0.5
99.00763	2.9
101.01691	0.6
101.02330	9.9
106.27721	0.3
107.01328	0.3
109.02819	0.4
111.00768	0.9
113.02343	4.6
115.03902	0.6
119.03381	1.4
121.02818	0.5
125.02331	0.9
129.01778	0.9
131.03404	0.6
131.33636	0.3
133.02861	0.7
143.03384	0.6
149.04488	0.7
150.97935	1.4
151.00264	1.9
152.99496	100.0
153.99857	1.1
159.02934	0.7
159.89041	0.3
161.04460	4.9
171.00554	3.7
177.01704	0.4
178.99741	0.3
179.05490	0.3
190.61617	0.4
197.11781	0.5
199.03856	0.3
203.51518	0.3
205.03493	0.8
209.11783	1.6
217.00337	0.4
227.03432	0.4
227.12764	0.5
233.06557	0.6
243.03012	0.7
255.02966	4.8
256.03680	2.5
256.17822	0.3
271.02490	3.2
283.02548	4.2
284.03265	5.0
285.04065	4.8
286.04306	0.5
300.02774	5.3
301.03494	3.6
302.03738	0.6
313.03928	0.4
331.21268	9.7
332.21625	0.7
463.09344	4.0
463.20834	10.9
463.25760	6.1
464.20673	1.7
464.26575	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	48.8
59.76110	3.0
62.26038	4.1
62.71712	3.3
70.42769	13.6
71.01257	29.0
73.02828	4.9
75.00747	6.1
83.01258	4.8
85.02828	10.5
87.00764	22.2
89.02307	26.3
93.04332	3.6
101.02322	12.8
107.01271	14.5
108.04433	6.2
109.02837	4.6
113.02339	16.1
119.03401	15.4
119.04870	8.6
121.10903	3.8
123.00763	24.7
123.08001	5.2
125.02333	56.7
127.00234	3.6
130.04143	10.2
131.04918	21.6
139.07553	20.1
141.52686	4.1
149.02325	11.7
149.05951	12.1
150.03091	11.1
150.05594	3.7
151.00266	17.4
151.03842	3.9
151.07521	6.3
165.05457	14.4
169.01338	81.3
179.05518	7.0
179.06999	5.0
193.12395	7.0
195.06578	11.2
209.11746	7.4
241.14476	27.7
255.02924	4.3
271.02277	4.8
273.07654	4.8
300.02820	8.3
301.03479	16.5
301.06821	6.3
312.10043	6.5
313.05518	24.6
327.12326	15.6
403.19641	57.3
404.20007	4.9
432.52362	3.7
439.32840	4.3
463.06689	5.2
463.12518	100.0
464.12650	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	463.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55710	0.3
59.01237	1.7
62.45178	0.4
69.74174	2.3
78.95775	57.2
91.01811	0.4
93.32838	0.4
94.16695	0.4
96.95910	0.8
96.96836	6.6
135.00879	0.4
135.04442	0.9
135.19382	0.4
150.97920	1.7
151.00275	0.5
152.99489	100.0
153.50455	0.3
153.99837	1.7
171.00549	4.9
176.44772	0.4
182.57530	0.5
202.00491	0.4
209.11714	0.7
217.00267	2.3
237.07896	0.4
237.77657	0.4
239.99956	0.3
252.83488	0.4
255.02922	0.4
269.04419	0.6
270.05249	0.6
271.02509	1.1
284.09354	0.4
300.02777	1.1
301.03378	1.1
406.68079	0.5
463.08774	1.4
463.20840	7.4
464.21439	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58252	0.3
59.01255	0.2
62.96279	0.3
68.09530	0.3
70.77720	0.5
70.78062	0.4
78.95776	51.6
96.96839	6.7
98.20355	0.3
114.15941	0.3
128.56682	0.2
129.10455	0.2
150.97929	1.7
152.99489	100.0
153.99867	1.4
171.00557	4.2
197.34024	0.3
243.45882	0.3
271.02536	0.4
283.46530	0.3
300.02609	0.4
301.03262	0.3
309.20758	0.3
463.21027	12.2
464.21475	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88631	1.0
58.00465	14.2
59.01246	12.6
69.29478	2.8
69.29900	6.9
69.89594	1.0
71.01251	7.8
72.99186	1.9
73.02824	1.8
75.00734	2.0
85.02829	3.7
87.00732	1.5
89.02314	2.9
95.03709	1.0
99.04399	1.1
101.02330	2.7
108.04334	0.8
109.02847	1.1
113.02325	3.1
118.06516	2.1
119.03448	1.2
121.02759	1.1
122.05988	3.0
124.07575	2.7
125.02346	1.2
125.89759	0.9
132.04436	2.7
133.05225	1.4
135.00740	1.2
135.04422	0.9
146.06006	13.3
147.06657	1.0
148.03883	1.1
148.07567	8.5
149.04436	1.9
150.05496	1.7
160.03958	2.2
161.04718	15.8
162.05457	3.5
164.03429	1.4
165.04141	2.2
167.05792	6.3
168.06522	1.4
169.08635	0.9
174.05530	4.3
175.02571	1.5
176.07069	2.3
179.05780	3.2
188.07039	1.5
189.04092	1.2
191.05821	1.8
192.02921	3.0
193.03743	12.2
195.05208	1.3
204.06596	11.7
205.07242	2.3
206.08125	1.1
207.05234	2.7
209.11807	4.6
216.06581	1.4
217.07291	0.9
219.05408	1.0
227.08138	1.4
229.13438	2.2
237.06354	5.1
239.08220	1.0
241.07542	1.0
241.09837	2.4
243.11456	1.6
249.06381	3.0
255.11359	2.2
257.12845	1.4
269.13049	1.5
271.14551	13.2
283.10880	43.3
284.11240	3.4
297.12344	2.6
299.13907	4.1
299.98953	1.5
301.03580	1.8
301.07065	1.9
309.65637	0.9
311.03430	1.0
311.14221	1.2
313.12000	2.1
329.15079	18.6
330.15353	2.2
341.14877	1.6
343.13055	5.8
344.13318	1.3
355.13019	3.9
373.14047	100.0
374.14294	8.8
385.14053	8.3
403.15076	8.7
403.19763	1.5
404.15402	1.7
409.13974	3.6
427.15103	2.9
463.17264	30.1
464.17566	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	463.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53380	0.5
57.03324	0.5
57.83970	0.4
59.01254	6.3
62.15941	0.4
71.01264	4.5
71.08427	0.4
71.59875	0.4
71.60275	0.8
72.99171	0.8
73.02818	1.3
75.00758	0.7
83.01260	1.0
85.02821	2.0
87.66145	0.5
89.02323	2.5
95.01298	0.8
97.06472	0.5
98.75271	0.5
99.00774	1.2
101.02340	3.6
104.68986	0.4
108.02096	0.5
111.08068	0.9
113.02325	2.6
119.03387	0.6
121.02818	1.2
125.02326	1.4
137.02315	0.8
138.68625	0.5
150.03127	1.4
159.04401	0.9
161.04507	1.2
165.01875	1.0
165.12752	7.6
183.13834	100.0
184.14180	4.6
209.11807	1.5
213.14835	2.5
225.05557	0.8
227.12833	12.2
235.08209	1.7
249.06146	0.6
253.09282	6.1
254.05949	0.7
255.06627	4.3
256.03778	1.0
269.04581	0.7
270.05280	1.4
271.02423	1.0
271.06110	4.7
272.06403	0.6
286.08478	3.3
287.05670	0.8
287.08841	0.6
300.02841	1.0
301.03448	0.8
301.07587	0.6
301.10806	17.4
302.11148	1.7
302.74750	0.5
412.71548	0.5
445.20462	1.1
463.21854	60.7
464.22260	5.9
471.29971	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.161
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	6.8
59.01249	62.9
60.41158	6.1
71.01255	21.8
71.58109	7.1
73.02814	10.0
75.00733	8.6
83.01266	8.7
85.02840	13.5
89.02324	14.0
96.95893	5.7
99.51714	6.4
101.02306	12.8
107.01283	14.2
109.02831	35.4
113.02326	10.6
116.59202	5.6
120.31671	5.8
121.02857	10.6
123.00751	8.3
123.04464	7.1
125.02357	10.6
135.04404	9.9
151.00267	40.2
151.04001	6.2
163.00247	7.9
167.01093	7.5
169.01382	11.5
173.87726	5.7
178.99747	6.4
181.03146	8.5
182.03601	13.2
219.88776	7.2
225.05347	6.9
235.14874	5.9
239.07280	6.9
240.07777	28.3
241.08359	45.8
243.03044	17.0
255.03000	30.4
271.02426	66.3
271.48410	6.1
272.02689	7.9
286.04813	20.5
300.02716	100.0
301.03488	67.4
301.07184	37.2
301.10812	22.9
334.04645	6.6
382.21457	9.1
463.08850	74.8
463.25192	37.2
463.32697	58.0
464.09128	9.9
464.32632	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	463.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89994	0.3
57.03315	0.4
59.00947	0.7
59.01249	14.4
69.62395	2.2
71.01260	0.7
72.33864	0.3
76.17901	0.4
78.95763	0.3
85.02825	0.4
89.02322	0.5
101.02320	0.8
113.02271	0.4
119.52200	0.3
121.02855	0.6
121.95744	0.4
125.02323	1.3
129.27408	0.3
135.04582	0.3
151.00285	1.3
151.03947	0.4
180.31500	0.3
181.06522	1.4
183.04263	0.4
197.05951	3.8
198.06769	0.9
211.07576	0.6
224.04697	1.3
225.05513	25.6
226.06187	4.8
227.07027	0.4
239.07115	2.9
240.07861	3.1
241.08662	100.0
242.08995	7.2
243.02902	0.7
243.06531	0.4
255.02963	1.3
271.02487	2.7
271.06140	0.7
272.03079	0.5
286.08484	1.7
300.02759	3.2
301.03430	3.1
301.07318	0.7
301.10831	2.9
380.00531	0.4
385.17911	0.3
463.08163	2.0
463.25595	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01044	0.3
59.01256	3.7
60.94715	0.3
61.09997	0.4
69.51994	1.0
69.52406	2.2
71.01266	1.4
73.02805	0.4
75.00735	0.7
85.02853	1.9
87.00739	0.4
88.98683	0.8
95.01292	0.7
97.02857	0.3
98.19970	1.3
99.00766	0.6
101.02343	1.2
108.02087	0.8
109.02840	1.6
111.00787	0.5
113.02340	0.8
121.02855	7.2
122.03676	0.3
123.00759	0.8
123.04399	0.6
124.01556	1.7
125.02348	5.9
126.02642	0.9
127.02792	0.7
131.71309	0.4
133.02829	1.3
133.03755	0.4
135.04436	1.9
137.02335	0.6
139.03856	0.5
145.02867	1.3
146.03615	0.6
147.04434	2.3
148.05168	0.5
149.02362	2.1
150.03130	4.8
151.00314	0.9
151.03903	0.6
161.02417	0.8
163.02657	0.4
163.03925	2.2
164.00960	0.4
164.04648	1.4
169.01332	3.4
169.75154	0.4
170.01668	1.5
171.01839	1.4
179.07101	0.5
181.06546	0.5
185.06071	0.7
186.06741	0.7
187.07585	1.1
199.07544	0.6
203.07112	0.4
209.06012	1.1
209.08173	1.3
209.11769	0.9
210.06776	1.4
211.03967	0.7
211.07614	2.6
212.04633	0.5
213.05426	0.8
225.05528	1.2
227.07062	4.4
229.04906	0.6
240.04214	1.1
242.09470	2.2
243.03056	0.5
243.06587	0.8
245.17668	0.4
253.04962	2.8
254.05887	3.3
255.06609	31.5
256.03757	7.0
256.06970	3.0
257.04022	0.5
267.07098	0.4
269.04565	0.6
269.08191	2.0
270.04883	1.2
271.02618	2.7
271.06122	30.0
272.06488	2.2
283.11929	0.5
285.04037	0.5
285.07550	0.7
286.08484	22.5
287.08850	1.5
300.02731	4.6
301.03842	3.5
301.10818	100.0
302.11118	9.3
463.08533	2.9
463.25412	0.9
464.08850	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57347	1.0
56.11403	0.8
59.01257	4.9
59.36046	0.9
59.60242	0.9
69.30951	5.7
69.31378	4.5
71.01273	5.6
73.02832	1.8
77.34669	1.0
79.15349	0.9
83.01235	1.3
85.02822	4.7
91.05410	1.0
93.03328	1.2
95.34750	1.0
99.00758	1.2
101.02324	3.8
109.02865	5.5
113.02336	2.6
121.02847	30.9
122.03159	1.3
125.02389	2.0
133.01834	1.7
133.02850	28.8
135.04427	10.7
137.02335	12.3
138.03186	1.0
147.04402	2.3
149.02350	19.9
151.00230	1.4
152.04666	1.4
153.05391	1.6
161.02400	1.7
161.04420	1.5
164.04704	4.2
174.03427	1.0
179.07091	6.7
180.34981	1.0
183.04570	0.9
194.90756	1.0
199.07587	1.1
209.06183	1.1
225.05583	1.8
227.07097	1.7
253.05057	7.2
255.02969	2.1
255.06535	1.5
269.04541	1.4
270.04474	1.9
271.02783	2.1
271.06131	42.2
272.06433	2.2
286.08475	29.5
287.08908	2.2
300.02783	4.6
301.03488	4.2
301.10815	100.0
302.11234	7.9
463.09039	3.0
463.15097	2.0
463.25049	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87634	0.4
57.28268	0.4
58.35587	0.3
59.01239	1.6
60.92375	0.4
62.96278	1.3
69.83653	0.3
70.80380	0.9
78.95773	9.6
78.96215	0.7
83.13418	0.3
93.16705	0.3
98.20337	0.5
100.58588	0.3
111.99541	0.3
132.73952	0.4
133.04829	0.4
149.00003	36.1
150.00299	0.8
152.99472	0.8
171.10204	0.4
194.98793	100.0
195.99088	2.5
217.00250	1.9
239.20087	1.2
271.02509	0.6
277.21762	0.6
295.22717	1.7
300.02734	1.3
301.03458	1.2
314.28000	0.4
463.11160	55.6
464.11401	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	463.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	17.5
60.01585	0.7
61.73230	0.6
68.56248	0.6
68.99683	0.8
69.03339	0.8
71.01258	3.6
72.99194	0.6
73.02813	1.3
78.95776	2.1
81.03325	2.4
81.14487	0.6
83.01250	0.8
83.04897	0.6
85.02826	2.8
89.02292	0.8
93.03379	0.8
95.01261	5.2
97.02830	1.3
98.10041	0.6
101.02336	2.4
105.03335	1.0
107.01247	3.6
108.02106	0.7
109.02856	1.7
113.02318	2.1
119.04930	0.7
121.02853	2.4
123.00779	4.1
125.02345	6.4
133.02875	0.8
137.02312	2.9
141.01805	1.1
149.02379	1.1
149.99501	72.0
151.00302	11.2
152.99487	2.3
161.02306	1.3
161.04482	0.7
165.01849	1.5
169.01338	2.1
177.01793	0.6
193.01346	1.4
194.29991	0.6
209.11771	2.2
229.48569	0.8
243.03006	1.2
255.03026	2.5
271.02451	5.4
297.17017	0.6
300.02744	8.7
301.03601	5.7
331.24921	0.9
355.06708	100.0
356.07040	6.8
373.07703	1.8
425.82230	0.7
463.08850	7.0
463.25781	1.2
464.09021	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	15.4
63.02246	0.8
65.00162	1.8
65.53992	0.4
71.01259	10.7
72.99154	0.6
73.02827	3.4
78.95782	17.3
78.98576	0.4
83.01231	1.8
85.02773	1.8
87.00718	0.6
89.02320	16.3
93.18996	0.5
95.01244	0.4
95.06691	0.4
96.96806	1.7
99.00768	4.2
101.01701	0.5
101.02327	7.6
107.01276	3.9
113.02329	2.8
119.03383	1.9
121.02845	1.0
122.45659	0.5
124.01559	0.6
125.02357	2.4
131.03389	2.2
132.02014	0.9
133.02850	13.2
143.03452	0.4
149.02466	2.2
149.03487	0.6
149.04471	8.6
151.00278	8.9
152.99503	23.7
161.04433	1.0
171.00566	0.7
171.04488	0.7
175.03920	3.9
178.99776	0.7
179.05614	0.5
183.04410	0.7
189.05644	0.5
191.05583	2.4
197.06027	0.5
198.03183	0.5
199.03961	4.2
201.01823	1.6
209.11723	1.7
211.03917	0.7
213.05502	0.6
215.03517	0.7
217.05046	2.1
227.03476	3.0
239.03293	0.9
241.05009	1.2
242.01971	0.5
243.02950	1.6
251.07622	0.7
255.02975	33.5
256.03732	30.6
256.85364	0.4
257.04364	3.2
267.02991	0.7
269.04480	0.5
271.02454	3.1
272.02707	0.5
281.04514	0.8
283.02484	48.9
284.03256	73.9
285.04034	100.0
286.04395	6.6
298.04880	0.6
300.02689	3.7
301.03604	3.5
325.03583	0.6
326.04401	1.3
360.75565	0.4
433.09283	1.0
445.09171	2.5
462.34543	1.7
463.10239	14.7
463.21246	4.4
463.26382	1.4
463.31427	0.6
463.34576	0.6
464.10550	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	463.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84577	0.4
54.95977	0.4
58.00451	0.6
59.01252	15.1
63.02242	0.7
63.56974	0.4
65.00175	1.8
71.01257	10.1
71.59254	0.5
72.99171	0.7
73.02812	2.6
78.95776	16.6
81.23540	0.4
83.01257	1.8
85.02837	2.1
85.50125	0.4
87.00725	0.6
89.02318	14.6
92.25950	0.4
95.01236	0.4
96.96827	0.9
99.00764	4.9
99.04444	0.3
101.01704	0.4
101.02320	6.2
103.60208	0.4
106.79843	0.4
107.01281	4.4
113.02329	2.2
119.03358	1.6
121.02820	0.6
124.01499	0.5
125.02342	1.9
131.03403	2.9
132.02060	0.8
133.02847	13.6
149.02377	3.0
149.04451	7.2
150.97826	0.4
150.99126	0.7
151.00273	9.1
152.99493	21.6
161.04443	1.0
165.95854	0.4
169.01308	0.4
171.00543	0.7
171.04439	0.6
175.03925	4.6
179.05550	0.5
183.04364	0.4
191.05513	2.0
193.01215	0.5
194.69701	0.4
198.03172	0.7
199.03908	3.7
201.01909	1.3
209.11790	1.3
211.03923	0.8
213.05458	0.8
215.03566	0.7
215.18097	0.4
217.00235	0.6
217.04909	2.3
221.06656	0.5
227.03404	2.4
239.03403	0.6
240.04332	0.4
241.05179	0.8
243.03001	1.8
251.07603	0.6
253.09015	0.4
255.02972	32.3
256.03748	29.6
257.04062	2.0
269.04565	0.5
271.02527	2.5
281.04666	0.6
283.02487	50.4
284.03250	72.9
285.04025	100.0
286.04398	6.7
298.04697	0.4
300.02756	4.4
301.03485	3.3
326.04272	1.1
327.05048	0.6
405.09875	0.5
433.09369	1.1
445.09283	2.0
463.10178	14.0
463.21356	3.7
463.31662	0.4
464.10620	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0887
Annotation	Isoquercitrin
Peak:m/z	Relative Intensity
59.01249	4.1
61.75851	0.5
63.02282	0.8
65.00207	0.9
65.75779	0.4
71.01279	1.1
76.87654	0.4
80.82745	0.6
83.01283	1.5
85.02831	1.2
89.02341	1.4
92.09911	0.5
98.19803	1.7
101.02355	1.0
107.00642	0.7
107.01236	2.4
109.02863	0.6
113.02335	0.8
119.03419	0.7
123.00784	0.9
125.02385	2.2
131.04985	0.8
143.03497	0.5
148.01541	0.8
149.02339	3.9
149.05992	0.5
150.03157	1.8
151.00287	5.4
163.00340	0.6
169.01326	2.5
183.04593	0.5
188.04800	0.6
191.03493	1.2
209.11755	3.6
215.03491	1.3
216.04138	0.5
227.03482	1.5
227.12894	1.0
229.24316	0.6
243.03029	1.4
255.02977	1.5
256.03751	0.7
257.04517	0.7
267.28247	0.6
271.02435	1.0
272.03192	7.3
273.03656	1.2
275.22104	0.5
285.04114	0.9
286.04306	0.9
287.04672	1.5
287.68674	0.5
300.02737	75.2
301.03488	56.6
302.03818	3.4
343.04590	1.1
406.71790	0.5
452.58963	0.7
463.08701	100.0
464.08929	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	463.0887
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
51.38172	0.1
53.03621	0.1
53.64579	0.1
53.80188	0.1
55.01767	0.2
57.03315	0.2
59.01255	2.2
62.88814	0.2
65.00192	0.7
71.01250	1.0
72.03896	0.1
72.99176	0.1
73.02816	0.2
75.00742	0.3
83.01260	0.6
85.02834	1.1
88.03867	0.2
89.02316	0.4
95.01297	0.2
98.00016	0.1
101.02319	0.6
107.01277	1.6
109.02832	0.4
111.00774	0.2
113.02338	0.4
119.03385	0.3
121.02799	0.4
123.04360	0.2
125.02344	0.7
129.01875	0.2
133.02875	0.2
134.03690	0.4
137.02356	0.2
145.02844	0.2
147.04440	0.2
149.02354	10.1
149.05896	0.3
150.02750	0.4
151.00285	4.6
159.04459	0.5
161.02330	0.3
163.00272	0.2
164.01097	0.2
169.01355	0.3
172.09558	0.2
173.06035	0.2
175.03932	0.2
177.01869	0.3
183.04492	0.3
185.06119	0.1
187.03979	0.4
189.05441	0.2
191.01900	0.2
191.03452	2.2
199.03685	0.2
201.01956	0.1
201.05511	0.3
209.11794	0.3
211.03951	0.6
213.05429	0.2
214.02710	0.2
215.03461	1.2
216.03926	0.2
217.01335	0.4
217.05002	0.2
227.03511	0.9
227.12730	0.2
229.01245	0.2
229.04979	0.4
233.04552	0.8
239.03384	0.9
243.03004	0.5
253.09322	0.2
254.02234	0.2
255.02969	2.0
256.03317	0.2
257.04556	0.6
259.02502	0.4
271.02460	1.9
272.03195	0.7
273.03973	0.3
283.02579	0.7
284.02899	0.2
285.04074	0.2
287.01941	0.3
287.04810	0.2
300.02774	3.8
301.03537	100.0
302.03897	8.2
302.06827	0.1
330.03802	0.2
331.12979	0.2
375.05093	0.2
403.04517	0.4
410.66809	0.2
427.62076	0.2
463.08746	4.9
463.25876	1.8
464.09045	0.5
470.14545	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0881
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
52.99190	0.6
54.41702	0.6
55.52198	0.5
63.02263	0.7
65.00169	1.4
83.01240	1.0
94.78779	0.6
98.14553	0.7
107.01274	3.2
108.02047	1.9
108.45117	0.7
109.02808	1.7
121.02860	3.1
148.01485	1.5
151.00256	12.7
163.00256	2.9
169.01353	0.8
178.99799	6.0
195.63002	0.6
199.03922	1.1
203.03310	0.8
211.03951	1.7
213.21977	0.7
215.03418	1.0
226.02658	2.6
227.03479	4.1
228.03912	0.8
229.04811	1.0
243.02960	12.1
244.03436	0.6
245.04485	1.0
254.02167	2.1
255.02954	30.7
256.03412	1.5
271.02475	64.4
272.02899	5.6
273.03802	1.0
283.02460	1.1
299.01993	1.4
300.02737	100.0
301.03448	45.6
302.03891	2.4
463.08835	34.9
464.09283	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00665	0.9
57.03314	1.7
59.01254	36.2
61.28899	1.0
62.33875	0.8
65.00182	3.2
69.36935	8.5
71.01244	5.7
73.02819	1.3
74.02345	2.6
83.01252	2.6
83.04893	4.1
85.02816	4.0
87.00756	1.7
89.02306	3.7
93.03346	3.2
95.01267	3.1
96.80874	1.0
98.20614	1.7
99.00748	1.9
101.02304	2.1
107.01257	2.8
108.02037	2.8
109.02847	7.4
109.99966	4.2
111.00763	3.4
113.02322	2.9
114.09075	1.0
116.04910	1.1
117.03320	1.3
121.02837	2.8
123.00782	4.0
124.01553	3.0
125.02321	4.0
132.88116	1.0
133.02843	1.6
135.00784	1.9
136.98718	2.0
137.02330	2.6
137.99489	1.4
139.00302	4.9
143.54012	0.8
144.35262	1.0
145.02939	0.9
148.01569	1.8
149.02316	2.3
150.03009	1.1
151.00279	11.6
152.01093	5.2
153.01836	2.5
155.10663	1.8
156.05659	1.0
159.04436	1.2
159.09151	1.2
161.02341	1.8
161.04590	1.3
163.00336	4.7
164.01033	1.4
165.12694	1.8
165.99013	3.2
166.99741	2.8
169.01355	1.1
171.04430	2.8
178.99821	5.9
183.04420	3.2
185.06068	1.0
187.03920	3.1
195.42603	1.2
198.03152	1.3
199.03897	4.4
201.05504	2.3
203.03421	1.6
203.08231	4.6
206.99339	1.3
209.11778	37.9
210.12149	1.3
211.03940	3.7
214.02577	1.6
215.03438	4.2
225.01915	1.1
226.02609	2.6
227.03488	12.5
227.12881	6.6
228.03989	2.0
229.05124	2.5
231.02983	1.7
241.05110	1.3
242.02089	1.7
243.02965	19.6
244.03581	2.8
245.04427	1.6
253.09323	4.7
254.02052	1.4
255.02980	40.4
256.03442	5.1
257.04517	5.9
257.08118	1.2
259.02527	1.5
271.02490	56.9
272.03186	12.7
273.04083	3.2
283.02451	8.5
285.04031	3.4
286.04379	1.5
287.01892	3.4
287.04660	2.9
288.02518	1.5
299.01990	8.6
300.02753	48.6
301.03555	31.8
301.06967	1.8
301.10403	4.6
302.03842	2.7
316.02225	20.7
317.02997	21.3
318.03223	1.6
331.13028	4.6
343.06653	1.2
403.19489	4.2
445.24509	2.1
463.08752	100.0
464.09140	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	463.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95522	0.4
59.01267	2.2
59.83644	0.4
62.19455	0.4
63.02262	1.0
65.00210	2.0
69.42130	2.6
69.42536	1.1
71.01247	1.1
78.57528	0.4
83.01240	0.8
85.02831	1.0
89.02296	0.8
91.01792	0.6
93.03331	0.4
101.02312	0.8
107.01286	3.1
108.02004	1.9
109.02834	2.4
111.00744	0.6
121.02847	2.6
125.02362	0.8
135.00798	0.9
135.04308	0.5
147.00836	0.4
148.01534	1.3
149.02281	0.9
149.04469	0.7
151.00284	9.5
153.01790	0.5
163.00301	3.4
163.03783	0.4
164.00996	0.7
169.01324	1.4
178.99789	5.0
185.06018	0.5
187.03836	0.6
190.99754	0.4
191.17799	0.4
199.03889	1.4
201.05434	0.9
203.03369	0.7
209.11726	0.5
211.03932	1.5
213.01823	0.4
214.02403	0.4
215.03459	0.9
226.02716	2.4
227.03436	3.9
229.05026	0.8
243.02980	13.6
244.03421	0.9
245.04475	1.2
254.02255	2.8
255.02982	26.7
256.03400	1.7
257.04480	1.4
271.02475	66.8
272.02896	6.5
283.02374	1.1
287.01904	0.7
299.01996	1.9
300.02740	100.0
301.03479	51.1
302.03851	2.9
316.02173	4.4
317.02902	1.1
343.04572	1.2
445.62335	0.5
463.08820	70.1
464.09076	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17649	0.6
53.29213	0.7
53.55348	0.7
55.01752	0.8
59.01251	100.0
60.01577	1.2
61.98692	0.7
66.43092	0.8
69.89413	2.1
69.89828	2.5
71.01246	7.8
73.02831	3.5
75.00795	0.8
81.91093	0.8
83.01255	1.6
85.02834	3.2
87.00739	1.0
89.02285	4.9
91.03900	1.1
101.02306	6.4
109.02855	2.2
113.02340	3.5
119.03396	2.1
125.02359	1.5
133.06503	2.3
139.03909	1.5
143.03334	1.2
148.05212	1.5
153.01888	3.1
153.12849	0.8
161.04443	4.6
163.06120	1.9
167.03448	0.8
168.00568	1.1
171.10226	2.2
183.02971	1.6
205.07191	1.1
257.08264	1.2
297.06323	2.8
299.04910	0.9
309.20853	1.0
315.82339	0.8
327.07272	1.0
327.21750	5.3
401.25436	5.6
461.14642	5.1
461.24319	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01594	1.0
71.01254	6.4
71.57382	0.3
71.57792	0.4
72.99231	0.4
73.02811	2.1
74.88675	0.3
75.00767	0.5
78.95760	1.9
80.30724	0.3
83.01286	0.6
85.02828	1.9
89.02323	3.9
95.01296	0.4
96.95932	0.5
97.30294	0.3
99.00774	1.1
101.02323	5.2
106.87181	0.3
111.36639	0.4
113.02322	3.0
115.77850	0.3
119.03361	1.8
131.03404	0.4
149.04480	0.8
150.85182	0.3
152.50053	0.4
152.99435	1.6
157.73473	0.3
161.04482	4.0
171.00652	0.4
171.10205	0.4
179.05537	0.6
200.48863	0.4
203.76254	0.3
203.78340	0.4
211.13435	0.4
228.73578	0.3
239.03448	0.4
257.08176	0.6
282.05502	0.8
329.19839	1.4
329.23526	0.6
401.25327	4.3
401.29938	0.4
402.25705	0.5
445.24753	0.9
461.23788	1.5
461.28424	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.291
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.88283	0.6
54.81803	0.6
55.02942	0.6
57.03318	1.0
59.01233	1.7
72.13934	0.6
76.35387	0.7
79.01752	0.9
85.02818	1.2
87.11938	0.6
87.50448	0.8
98.19785	1.8
107.04276	0.7
123.04491	1.3
125.05970	5.5
129.81358	0.7
137.09575	0.7
142.53590	0.7
151.03915	9.1
157.27536	0.6
177.01865	1.3
179.03407	1.2
180.04160	2.0
207.10214	2.5
211.70595	0.6
217.08655	3.6
221.08147	5.0
222.08829	2.2
223.09660	1.6
229.26649	0.9
235.09714	100.0
236.10258	10.0
249.11176	1.7
270.93384	0.6
285.04007	2.7
285.16754	0.8
293.24866	4.0
332.37659	0.7
333.17081	6.3
335.18423	0.8
377.19727	0.7
392.21899	3.3
393.22400	0.8
454.20682	0.6
461.29080	92.3
462.23282	0.5
462.29352	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	461.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01760	0.3
53.53759	0.3
57.63538	0.4
59.01252	0.3
59.12920	0.3
69.56040	2.0
78.95781	8.3
84.22748	0.3
84.70103	0.3
98.20531	0.5
100.57831	0.3
125.00002	3.2
152.99498	1.5
181.02629	2.3
199.03685	3.1
261.21973	0.4
279.23294	100.0
280.23645	9.1
299.28976	0.4
306.53543	0.4
419.00455	0.3
461.26868	5.8
462.26987	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43587	0.4
59.01255	0.4
61.45322	0.4
78.95776	20.3
89.26947	0.3
96.96856	0.4
124.99987	5.4
140.82312	0.4
152.99472	4.6
180.47913	0.4
181.02625	10.6
199.03712	4.0
236.28136	0.4
261.22284	0.5
279.23282	100.0
280.23608	9.3
293.24887	0.6
293.89117	0.4
314.80777	0.4
343.17267	0.4
461.26730	15.3
462.26706	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	461.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03298	0.4
59.01252	100.0
60.01591	1.3
63.23328	0.3
70.79619	0.5
71.01253	3.6
73.02831	1.1
74.27404	0.3
75.00761	0.6
76.81697	0.3
77.97611	0.3
82.45146	0.2
83.01265	0.7
85.02817	1.9
89.02342	1.0
95.01270	0.3
98.30012	0.3
99.00773	0.4
101.02312	2.7
113.02341	2.1
119.03387	0.5
119.79530	0.3
139.86937	0.3
143.03468	0.3
145.39745	0.3
159.02959	0.4
159.45032	0.3
161.04472	4.6
176.79202	0.3
220.96320	0.3
223.13402	0.9
224.13805	0.6
225.14014	0.5
233.80183	0.3
285.04163	1.1
329.23267	0.7
337.16040	0.9
401.25397	4.5
402.25934	0.6
461.27948	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31190	1.4
59.01276	1.9
61.98688	2.4
78.95787	12.2
94.45071	1.6
110.98413	8.3
167.01085	3.0
168.53152	1.4
171.10205	2.7
185.02080	6.8
195.13802	9.6
223.13383	9.1
230.12772	2.5
239.03273	2.0
256.13248	2.4
275.20261	6.1
293.21234	100.0
294.21661	9.9
461.23016	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	461.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69111	0.7
57.03300	0.8
59.01239	5.4
63.17744	0.8
66.89230	0.8
69.36781	3.6
69.37204	4.0
71.01250	1.7
78.95776	33.5
85.02809	1.9
96.95879	1.4
104.97343	1.3
109.06473	1.3
110.98412	26.0
112.42690	0.8
113.02328	2.5
113.24760	0.7
137.00047	1.0
152.99484	1.1
167.01045	24.2
168.00548	2.8
169.06580	0.7
181.12245	1.4
185.02121	7.0
195.06219	0.9
195.13853	13.0
196.14296	1.2
205.12325	1.3
207.10231	3.6
211.13281	1.1
223.13338	10.4
225.11285	2.1
228.13651	1.2
229.05092	1.9
256.13187	3.5
270.01758	0.9
275.20181	5.0
285.04047	17.7
286.04364	1.8
293.21213	100.0
294.21591	9.3
392.16125	1.9
461.23135	43.3
462.23383	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	461.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.0
59.01251	3.7
61.23986	0.8
71.04897	4.5
71.44427	1.2
72.74278	0.8
78.95783	12.6
91.43150	0.8
93.19276	0.7
96.95925	1.1
110.98421	9.3
113.09605	2.8
167.01071	3.7
174.79976	0.9
185.02176	9.4
196.13936	0.8
198.50896	0.8
223.17085	2.6
231.21126	1.7
235.17017	27.0
236.17401	2.4
275.20157	26.4
276.20554	3.1
293.21234	100.0
294.21628	9.2
362.62054	0.9
461.23056	9.8
462.23349	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	5.0
59.01254	7.1
65.04843	0.8
67.93047	0.8
68.34863	0.8
75.00713	1.4
78.95776	8.7
97.06486	1.3
97.09511	1.1
98.19808	1.6
109.06520	1.5
110.98418	6.7
113.08813	1.2
113.09612	16.2
114.09920	0.8
125.22402	0.8
127.63579	0.9
139.11162	2.1
141.64760	1.0
149.09543	1.0
159.28824	0.9
167.01091	2.6
167.10612	1.1
171.10190	1.0
172.81041	0.8
179.10693	2.0
185.02133	4.4
195.13770	1.8
203.54491	1.0
232.15617	0.9
249.22160	3.0
275.20203	2.8
293.21228	100.0
294.21521	10.2
461.22958	10.2
462.23154	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	2.8
57.03310	1.7
58.00457	1.4
59.01251	100.0
59.84623	0.8
60.01579	1.1
71.01254	36.6
71.21666	2.0
72.99187	2.7
73.02816	13.0
75.00750	2.4
78.95779	5.4
83.01258	4.3
85.02818	13.7
87.00759	2.6
89.02317	33.3
95.01255	2.2
96.95925	1.1
97.02806	1.0
99.00758	5.7
101.02325	28.1
113.02336	15.4
115.03916	1.6
119.03395	14.0
121.02823	1.8
125.02346	4.6
129.01834	0.8
131.03377	4.6
143.03401	2.9
149.04445	7.1
151.00232	1.1
152.99454	5.1
159.02890	0.9
161.04457	10.1
166.02640	5.4
171.10222	0.9
179.05515	5.7
191.05522	1.9
205.03459	1.1
206.21999	0.8
211.13338	1.0
229.14319	0.8
233.06628	2.6
257.08163	14.5
258.08575	1.3
267.03171	1.1
282.05374	3.1
284.83093	0.9
329.19629	9.8
329.23364	3.6
353.06390	0.8
379.04239	1.5
401.25470	3.4
461.13712	2.9
461.23669	20.7
462.24176	2.6
473.53964	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2182
Annotation	Debromosceptrin
Peak:m/z	Relative Intensity
59.01252	8.3
60.18250	0.6
65.42277	0.6
67.01743	0.6
71.01258	3.5
71.59084	0.6
71.59482	0.9
78.95766	2.9
83.77298	0.7
83.96380	0.7
85.02819	2.1
89.02287	0.9
93.03326	1.4
96.95891	6.8
97.02840	1.0
101.02352	1.5
107.01258	0.7
108.02084	0.6
109.02845	3.7
109.06477	3.9
113.02314	2.5
121.02843	0.8
123.00769	0.6
123.04417	4.0
124.01567	3.4
125.02337	2.4
131.51923	0.5
135.04391	0.8
135.08131	0.6
137.02357	7.2
138.03133	1.4
149.02364	6.1
150.03128	5.8
151.03917	30.4
152.04668	3.1
152.99519	3.8
159.04439	1.0
161.02304	1.4
163.03879	1.8
163.11208	2.4
164.04671	2.3
165.01831	1.6
166.02634	4.1
168.00529	0.9
172.05299	0.6
174.03169	1.5
175.02617	1.0
175.03964	6.5
176.04640	2.1
177.05518	0.9
179.03418	4.9
181.12375	0.7
183.13766	0.7
185.06030	0.8
185.46431	0.7
187.03810	1.0
189.05486	1.6
189.09064	0.8
190.02779	0.9
190.06171	0.8
191.03477	0.8
193.01367	58.3
194.01790	2.5
194.99222	1.3
201.05565	3.4
203.07126	4.2
205.01341	2.7
207.10204	9.8
208.10414	0.6
209.00845	5.3
216.36493	0.6
217.08652	0.9
219.02942	3.4
225.11256	7.3
227.03500	0.7
229.05037	2.6
231.10129	0.6
243.10391	1.4
245.11806	12.6
246.12070	0.7
251.46687	0.6
253.09258	1.9
257.04398	0.9
258.12460	0.8
259.12668	1.0
271.09686	1.1
285.04041	14.9
286.04361	1.0
289.10767	3.2
304.13162	1.3
348.12326	0.8
359.58371	0.7
366.13168	1.3
381.20709	1.3
399.21893	1.4
417.22726	3.1
443.20886	2.0
444.21399	0.8
461.21774	100.0
462.22101	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	461.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40883	0.5
59.01245	4.5
61.27220	0.5
63.88303	0.6
71.01249	2.5
71.22917	1.0
78.95774	2.8
81.03339	0.8
85.02842	1.2
87.00739	0.6
89.02323	1.4
92.28979	0.5
97.02818	1.1
99.00746	0.7
101.02357	0.7
108.02088	0.6
109.02832	1.5
109.06483	6.0
110.98423	1.2
113.00561	0.5
113.02328	1.6
119.19316	0.5
121.06387	0.6
123.04383	1.5
124.01552	4.2
125.02331	3.4
130.81969	0.6
133.83664	0.6
135.08041	0.5
137.02365	3.9
138.03111	1.6
146.03687	0.5
149.02364	2.3
150.03181	2.8
151.03923	11.8
152.04642	1.3
152.99498	1.8
159.04495	1.2
160.05203	1.8
161.02347	1.3
161.04442	0.6
162.03206	1.3
163.03900	1.5
163.11191	3.0
164.04703	1.9
165.01837	0.9
166.02620	2.2
167.01028	0.5
168.00537	1.7
169.01385	0.7
174.03140	0.8
175.03926	5.2
176.04709	4.2
179.03381	1.5
181.12263	1.2
185.02165	1.3
186.06813	0.6
187.03854	0.6
189.05585	1.3
191.03407	1.2
192.00597	3.4
193.01361	22.3
194.01863	1.1
195.13905	0.8
201.05585	2.6
203.07056	2.2
205.01389	2.1
207.10202	15.8
208.10562	0.6
209.00890	1.3
217.08479	0.6
219.02921	2.2
223.13263	0.8
225.11288	9.7
227.03444	0.7
227.07166	0.6
229.05019	1.2
230.09642	0.6
235.17075	0.9
237.05548	0.6
240.50490	0.6
243.10429	0.7
245.11842	3.5
253.09276	2.6
257.04590	1.2
257.15604	0.8
273.14987	1.5
275.20120	1.3
283.13327	1.5
285.04028	9.0
286.04495	1.2
287.12949	1.5
289.10852	2.4
293.21222	11.9
294.21582	1.5
301.14435	11.1
302.14758	0.8
305.14108	0.8
319.15430	5.5
329.13989	0.8
345.13498	2.1
347.14935	0.8
363.14484	4.0
366.13116	0.7
381.20947	1.9
399.21777	2.4
417.22867	1.8
443.20706	2.0
461.21783	100.0
462.22079	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	461.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97752	0.4
59.01262	2.3
70.34627	1.4
71.01268	0.9
78.95789	0.9
80.02624	0.4
85.02831	0.6
97.02846	0.6
101.73475	0.4
102.96260	0.4
105.03330	0.5
109.02871	3.1
109.06487	1.3
113.02341	0.7
113.43542	0.4
118.83710	0.4
121.02790	1.1
123.00713	0.6
123.04401	3.8
124.01543	2.4
125.02307	1.4
135.04433	0.7
136.01508	0.6
137.02353	6.4
138.03088	1.4
149.02359	5.1
150.03169	4.9
151.03928	27.5
151.91197	0.4
152.01112	0.6
152.04752	3.2
152.99506	0.6
156.88129	0.4
158.03648	0.6
159.04442	0.6
161.02367	1.9
162.02979	0.5
163.03897	1.6
163.11200	1.1
164.04752	1.9
165.01822	0.6
166.02628	5.0
168.00566	1.0
170.71063	0.5
174.03154	0.9
175.03929	6.6
176.04649	1.5
177.01936	0.5
178.06277	0.6
179.03433	2.9
185.05969	0.6
189.05548	1.1
190.02588	0.7
190.06259	0.5
192.00598	0.8
193.01364	50.1
194.01733	2.9
194.99298	0.5
201.05481	2.9
202.06210	0.5
203.07022	2.9
205.01375	2.0
206.02028	0.5
207.10188	5.8
209.00854	3.6
215.07085	0.8
219.02911	3.0
225.11282	3.5
227.07101	0.5
229.05093	0.8
229.08606	0.6
230.09410	0.8
243.10172	1.0
245.09396	0.9
245.11803	8.9
246.12199	0.7
247.13354	0.5
250.73099	0.4
253.09193	0.7
271.09885	1.1
285.04089	4.6
289.10815	4.6
304.13214	1.2
366.13080	1.5
381.20691	0.8
399.21719	1.4
417.22742	2.9
443.20663	0.8
461.21811	100.0
462.22079	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	461.22
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90634	0.7
59.01257	7.5
61.97713	0.8
71.01257	2.6
71.59673	1.1
78.00824	0.8
78.95786	5.8
81.03344	1.2
85.02821	2.6
89.02343	1.5
93.03365	0.9
95.01287	1.4
97.02851	2.0
99.00806	1.2
101.02319	1.6
106.38156	0.9
109.06472	6.5
111.98489	0.7
113.02340	3.0
119.03402	0.8
121.02835	1.2
123.00675	0.8
123.04407	1.6
124.01555	3.5
125.02360	7.4
133.02863	1.2
133.07506	0.8
135.04395	1.0
137.02312	2.6
138.03145	3.5
142.02618	1.0
145.02890	0.9
147.04462	1.1
149.02348	1.5
150.03149	1.8
151.03925	5.7
152.04649	3.9
152.99492	7.2
158.03735	0.8
159.04424	1.5
161.02402	4.2
162.03139	1.4
163.03870	5.3
163.11203	4.9
164.04703	2.6
166.02649	2.9
168.00504	1.2
169.01341	2.6
169.06355	0.7
171.10127	1.0
173.06038	0.9
174.03221	2.4
175.03911	11.7
176.04709	9.0
177.05428	2.4
178.06210	1.7
185.06036	1.3
187.03955	0.9
188.04720	0.8
189.05524	0.9
190.02713	0.9
192.00586	4.8
193.01366	16.3
195.04410	1.0
201.05476	6.4
202.06313	0.9
205.01408	2.2
206.02124	1.6
207.02861	1.1
207.10217	19.9
208.10574	1.1
209.00890	4.3
213.05576	1.0
215.07014	1.7
217.12321	1.2
219.02951	1.2
225.11282	12.6
227.03571	1.2
227.07121	0.9
227.10626	0.9
229.04984	1.8
229.08591	1.5
231.10240	2.6
239.03603	1.2
243.10207	1.9
245.11797	22.9
246.12184	2.2
247.13409	2.4
253.09309	3.4
257.04401	1.7
260.13596	0.9
267.02985	1.1
271.09625	1.3
282.05435	2.4
283.06226	1.0
284.85309	0.8
285.04001	19.1
286.04575	2.4
289.10815	23.0
289.14069	1.3
290.11093	2.1
293.21381	1.4
296.31180	0.8
304.13202	0.8
330.14822	0.9
381.20734	2.2
399.21741	5.0
408.95901	0.9
417.22809	8.7
443.20590	1.4
461.21753	100.0
462.21991	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	461.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72839	0.6
51.90779	0.7
57.11920	0.7
59.01250	11.7
65.32415	0.6
71.01262	4.2
72.99160	0.7
73.02808	0.8
78.95781	2.9
81.03313	1.4
83.04896	1.3
85.02810	2.4
87.00759	1.1
89.02308	3.7
93.65858	0.6
95.01295	0.7
97.02809	5.6
98.20548	1.8
99.00769	2.5
101.02318	3.6
107.04904	0.9
109.02837	1.6
109.06477	17.6
110.03601	1.1
110.98396	1.1
111.08109	1.0
113.02334	2.9
119.03431	1.1
121.06477	1.7
123.00727	0.9
124.01552	5.0
125.02328	3.2
135.08124	1.6
136.05202	1.4
137.02368	2.2
138.03232	1.2
142.02556	1.0
149.02365	1.5
149.09627	1.1
150.03076	0.9
151.03922	2.5
152.04716	1.7
152.99516	2.5
159.04425	1.2
160.05217	2.6
161.02374	1.7
161.04468	1.6
161.09642	1.4
163.03932	1.6
163.11214	9.1
164.04782	1.2
166.02605	0.8
168.00568	2.0
169.01350	0.9
175.03941	3.8
176.04692	4.6
179.05536	0.8
179.10632	0.9
181.12259	3.6
185.02170	0.9
185.06032	1.0
186.06850	0.9
187.03920	0.7
189.05508	1.0
189.09180	1.3
191.03461	1.9
192.00569	2.7
193.01366	7.2
195.13760	0.9
201.05545	2.9
203.07108	0.8
205.01361	1.7
207.10211	59.7
208.10599	2.9
213.05440	0.8
215.07085	0.8
219.02994	1.9
225.11285	41.7
226.11617	2.3
229.04999	2.0
229.15988	0.8
243.12419	1.0
253.09254	11.1
257.04495	1.5
257.15497	1.4
273.14957	1.5
275.16647	1.4
275.20212	2.0
283.13412	2.5
285.04062	15.1
286.04382	1.5
287.13007	1.8
293.21246	16.7
299.15073	1.7
301.14502	17.5
302.14780	1.1
305.13892	1.2
319.15521	7.5
345.13437	3.8
363.14523	4.1
381.20670	2.3
399.21658	2.7
417.22836	2.8
443.20432	2.0
461.21512	100.0
462.21854	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	461.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.4
59.01253	9.8
65.36366	0.3
67.92396	0.3
69.46806	3.0
71.01257	3.4
72.99187	2.4
73.02820	1.2
75.00749	100.0
76.01081	0.9
83.01270	0.4
85.02826	2.2
87.00761	0.6
89.02318	2.1
98.19822	0.8
99.00767	0.6
101.02338	1.5
113.02342	2.2
113.05946	0.3
119.03395	0.9
125.02370	0.9
139.00287	0.4
149.02354	0.4
151.00266	0.4
151.07565	0.4
152.53203	0.3
153.01848	0.6
157.22507	0.3
161.02344	0.4
161.04434	0.8
161.09630	0.5
163.00256	0.5
166.99739	0.5
167.03407	0.8
169.01399	0.3
179.05565	0.6
179.10681	1.7
189.01900	0.5
203.10750	2.1
206.09467	0.8
208.81206	0.3
211.04146	0.3
217.09058	0.4
221.11786	10.3
222.12071	0.6
229.05077	1.1
267.07251	0.5
269.13211	0.4
276.61142	0.3
285.04095	4.5
285.09903	0.6
286.04553	0.5
341.03046	1.4
461.07220	0.6
461.20395	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.2
57.03341	1.3
58.15726	0.9
59.01255	15.7
71.01244	8.4
71.59112	1.2
78.95779	13.8
80.02556	1.5
81.03349	2.7
83.04906	1.3
85.02828	3.6
87.00723	1.1
89.02320	6.0
93.03329	1.0
95.01266	1.5
97.02836	8.7
98.55634	1.0
99.00739	3.1
99.07941	1.2
101.02328	7.3
104.97265	1.0
109.06475	32.1
109.29715	0.8
110.03631	1.1
110.98405	10.0
113.02332	7.1
119.03412	1.3
128.88905	0.9
135.08049	2.8
138.79344	0.9
142.02618	3.0
152.99527	3.4
161.04453	1.9
161.09595	2.3
163.00151	1.0
163.11198	17.0
164.11436	1.2
167.01088	5.3
179.05673	1.1
179.10664	1.5
181.12280	5.8
185.02122	5.0
189.05424	1.1
193.01421	1.4
195.13863	7.3
207.10205	100.0
208.10547	5.7
217.70708	1.0
223.13287	6.2
225.11270	61.3
226.11644	4.0
229.05042	3.0
243.12267	2.1
253.09258	14.6
256.13177	1.5
257.04398	1.1
275.20126	5.7
285.04037	23.8
286.04388	2.0
293.21219	78.0
294.21564	6.8
461.19949	47.8
462.20294	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	461.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06310	1.8
56.27508	1.9
57.03325	2.2
59.01251	86.7
60.99173	2.3
68.71378	2.1
69.03329	8.5
69.28304	12.3
69.28736	8.2
71.01252	76.3
72.99159	5.7
73.02824	16.4
75.00742	15.6
78.95763	4.9
81.03329	3.6
81.08596	1.9
83.01270	6.7
85.02825	8.7
87.00742	2.9
88.98685	19.2
89.02319	100.0
95.01216	2.9
97.02802	8.3
98.20549	4.6
99.00756	22.5
101.02322	32.3
101.02971	1.5
111.00755	2.3
113.02357	11.5
115.03897	5.1
119.03401	2.2
125.02341	31.6
131.03412	14.9
143.03375	4.1
149.04480	22.7
152.99449	5.7
161.04497	3.5
167.10706	17.6
168.00546	2.0
177.01894	3.5
183.02960	4.6
183.53702	2.0
191.05536	8.9
191.10764	3.3
209.11737	4.5
221.11780	2.2
225.50607	2.0
233.06598	18.5
270.01645	2.5
286.39255	2.4
291.17987	2.8
293.08817	21.6
298.70712	2.3
299.05643	5.1
327.06927	2.2
327.21805	6.6
423.22369	6.6
425.22290	2.2
427.37250	2.6
461.19492	2.9
461.30984	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	461.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55224	4.2
57.03316	20.1
58.00468	10.3
59.01254	100.0
69.15630	3.9
71.01259	69.2
71.58121	5.2
72.99170	5.1
73.02827	9.1
75.00755	5.4
85.02833	21.8
89.02316	79.4
90.53458	3.8
97.02782	4.5
99.04419	15.2
101.02318	45.7
113.02328	29.8
117.74299	4.0
119.03401	41.5
122.68607	4.9
125.02357	6.7
125.86248	6.6
131.03403	5.4
132.27931	5.3
137.02333	7.9
138.06779	6.1
143.03450	6.3
153.09134	28.4
161.04486	20.6
165.01917	7.1
167.03430	6.0
177.52608	4.1
179.05501	25.7
193.01329	5.4
195.06583	12.3
206.09395	5.3
218.85124	4.7
221.11755	25.3
222.93663	4.8
239.12881	14.4
243.08496	5.7
285.03952	5.7
315.64240	5.3
401.18228	19.3
461.12869	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	461.1456
Annotation	Cyrtopterin
Peak:m/z	Relative Intensity
57.03329	0.8
59.01255	17.4
60.01586	0.9
67.73083	0.4
69.03359	0.4
69.49213	3.6
71.01254	5.4
72.99166	0.7
73.02841	0.9
75.00764	2.2
76.10868	0.5
82.21106	0.5
83.01283	0.4
85.02820	3.0
87.00740	0.5
88.98673	3.5
89.02303	2.3
95.01271	2.2
95.90929	0.4
98.20211	1.7
99.00757	1.7
101.02339	1.8
112.30907	0.4
113.02338	3.5
115.00244	0.5
123.00761	5.6
125.02307	0.7
129.98639	0.4
130.57019	0.4
130.80057	0.5
131.06841	0.4
132.14111	0.5
133.02888	1.1
141.71083	0.4
145.02863	2.0
147.58026	0.4
149.04454	0.6
161.04430	0.9
167.10730	1.5
168.65994	0.4
169.06442	0.6
171.04440	0.6
175.02382	0.7
183.04204	0.5
183.13835	0.7
185.05954	1.2
195.04419	0.5
197.05995	1.6
199.04013	1.1
201.05634	1.0
202.06136	0.7
211.13348	4.1
213.05542	3.7
223.04077	0.5
224.04820	0.5
225.05527	2.6
225.11261	0.6
227.03612	0.8
229.05066	1.8
240.04236	1.5
241.05083	8.5
249.06090	1.2
251.03510	0.6
255.02904	0.5
257.04428	0.6
267.03189	0.8
268.03784	1.4
269.04559	94.3
270.02039	0.4
270.04868	7.9
283.06110	2.8
284.06906	73.6
285.04041	12.6
285.07266	6.9
286.04382	0.9
299.09244	100.0
300.09613	9.1
364.11346	0.8
461.20035	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91702	0.6
55.16392	0.8
57.03326	100.0
57.60412	0.8
58.00464	1.3
59.01252	30.0
67.42147	0.7
69.50606	0.7
70.78851	1.8
70.79224	1.4
71.01241	2.9
72.99175	2.1
73.02822	1.4
75.00764	1.4
81.03333	10.1
83.01230	0.8
85.02814	1.5
87.00744	1.2
89.02336	2.5
98.19805	1.0
99.04397	43.6
100.04732	0.8
101.02327	24.3
109.02839	1.2
111.00726	0.8
113.02328	2.0
122.03674	0.8
125.02338	15.5
137.02341	2.0
150.03107	1.2
151.00240	1.0
152.84843	0.8
153.01837	3.7
153.05455	2.3
161.04503	1.0
161.62639	0.8
165.01845	14.4
166.02641	1.8
167.03282	0.9
168.04204	11.3
176.01097	1.1
177.01804	0.9
180.04228	14.8
181.04973	1.2
183.06560	36.9
184.06903	1.0
191.03323	1.6
192.04070	1.0
195.06566	53.1
196.06853	2.7
203.50446	0.7
205.33093	1.0
207.06584	3.2
243.08716	7.7
285.03983	2.0
293.55490	0.9
299.11334	1.2
317.12341	3.0
339.14130	1.0
356.02655	0.8
359.13412	3.5
381.80853	0.8
399.16470	5.0
461.16751	9.4
462.17126	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58585	0.6
50.64446	0.7
50.75478	0.7
54.91324	0.8
56.19942	0.7
59.01252	5.9
60.99177	12.2
62.14265	0.7
71.01257	1.9
72.17036	0.7
73.02801	1.1
85.02811	1.5
88.98681	100.0
89.02315	0.9
89.99036	1.0
93.03352	0.7
98.19784	2.3
113.02348	1.5
121.42525	0.7
144.41182	0.7
192.40376	0.7
209.08197	1.8
229.50264	0.8
240.04181	0.8
241.05125	1.2
255.03033	2.0
268.03741	12.5
269.04477	6.6
270.04910	0.9
281.17569	1.5
283.02588	1.7
283.06119	5.3
284.03387	1.5
284.06833	2.8
285.04022	9.1
286.04272	0.9
297.04147	1.1
298.08502	8.1
299.05859	1.3
299.09280	5.1
446.12131	2.1
461.09860	1.3
461.15216	2.1
461.23987	1.2
485.08942	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	3.3
60.98886	0.8
60.99181	11.2
61.04720	0.5
65.98283	0.5
69.33236	0.6
69.33578	6.0
71.01258	1.4
71.54474	0.5
78.36034	0.5
82.05281	0.6
85.02835	1.6
88.98680	100.0
107.79006	0.6
113.02322	0.9
121.02832	2.7
134.03598	0.6
145.02820	0.6
161.04558	0.5
199.03989	0.6
209.08151	1.6
211.03957	1.5
213.05473	1.4
221.16347	0.6
223.03941	1.1
238.29449	0.6
239.03363	0.7
240.04260	3.2
241.05122	2.5
257.08142	1.0
267.02991	1.5
268.03763	22.0
268.06677	1.1
269.04541	19.9
270.04987	1.3
283.06168	1.6
284.06909	3.9
285.04056	6.1
285.07297	1.0
299.09225	18.1
300.09723	0.9
431.09738	4.0
446.12131	4.8
447.12628	1.2
461.14642	9.0
462.14798	0.8
463.87723	0.7
471.55289	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	4.3
60.99178	16.2
65.02821	0.5
65.08797	0.6
69.72540	2.7
69.72959	1.1
71.01250	1.2
72.26206	0.5
83.35339	0.6
85.02822	1.3
87.00757	0.5
88.98681	100.0
89.02290	0.6
89.99020	1.0
98.20256	1.6
100.29197	0.5
101.02330	0.6
113.02320	1.5
123.00827	0.8
138.30800	0.5
152.99545	0.6
158.99684	0.5
161.99135	0.5
165.09106	1.3
209.08122	5.7
227.03383	0.7
233.08133	1.6
241.05020	1.1
268.06757	0.5
269.04584	6.7
284.06964	6.1
285.04074	4.6
299.09262	8.4
300.09296	0.6
371.13480	2.3
390.78583	0.5
446.44940	0.5
456.24084	0.5
465.86542	0.5
471.97644	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1242
Annotation	Artoindonesianin C
Peak:m/z	Relative Intensity
59.01241	1.8
60.76400	0.6
61.54830	0.7
61.98688	1.2
68.47755	0.6
69.34296	5.4
69.34698	1.4
78.16706	0.7
78.95775	8.6
79.80321	0.7
98.19816	1.2
98.20465	1.6
101.54177	0.7
130.85927	0.8
132.02092	1.7
146.03632	5.4
148.70715	0.6
149.02341	2.8
152.99480	12.7
153.00589	1.4
155.04875	1.2
161.05997	1.7
163.03824	0.7
164.04738	3.7
167.04903	0.9
168.00598	1.3
175.00330	0.7
179.07045	20.3
180.07436	1.7
182.03587	0.6
183.04419	3.2
195.04448	5.8
211.03943	8.1
212.04680	2.8
223.03975	6.2
224.04765	6.1
239.03459	25.6
240.03954	2.7
256.03598	0.8
267.02966	36.0
268.03726	16.2
269.04044	1.7
270.01642	0.8
270.05231	1.1
282.05334	100.0
283.06012	32.3
284.06491	2.1
461.06918	1.0
461.12381	5.9
461.19760	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	461.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	3.4
65.00183	1.0
71.57328	0.5
73.02826	0.7
75.00738	0.8
89.02305	0.6
107.01283	1.4
109.02814	1.6
113.02304	0.7
117.03329	0.7
121.02791	0.6
125.02370	0.9
125.87604	0.6
135.00729	0.6
138.36929	0.5
141.54591	0.5
145.02911	0.6
148.01628	1.3
151.00272	8.1
153.01808	0.8
163.00308	1.0
169.01262	0.5
183.04321	1.3
187.59579	0.5
199.03874	0.6
211.03912	1.0
212.04683	0.9
227.03485	3.4
228.04050	0.8
239.03319	0.9
240.04234	1.2
241.01360	0.9
255.02965	71.7
256.03409	5.9
257.08105	1.1
262.53204	0.5
268.03726	0.8
269.04565	4.0
271.02426	1.3
283.02469	53.5
284.03226	53.6
285.03815	6.1
297.04062	12.8
298.04779	11.6
299.02173	2.3
299.05569	40.4
300.05905	3.9
309.04099	0.7
313.03436	3.2
341.06793	1.1
446.08472	15.4
447.09000	0.8
461.10901	100.0
462.11234	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	461.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	11.2
60.01617	1.0
60.99185	2.7
61.01715	0.6
69.03365	2.6
69.26162	5.4
71.01284	2.7
72.87023	0.5
73.02833	0.5
75.00790	0.8
81.03358	0.8
85.02843	1.5
88.98679	28.6
89.29589	0.5
93.54948	0.6
95.01303	1.7
97.02877	1.8
98.19762	1.4
101.02365	1.3
102.29113	0.5
107.01305	1.3
111.00822	0.9
113.02369	2.0
121.02855	1.3
123.00797	2.2
124.01590	4.2
125.02337	72.6
126.02721	2.0
139.00311	1.0
147.04427	5.0
159.04420	0.6
166.99779	1.4
168.00580	7.8
169.01343	100.0
169.92317	0.6
170.01665	3.3
185.05997	0.7
187.03842	0.8
209.08087	0.8
211.02386	1.7
211.04095	1.2
213.05392	0.9
217.75412	0.6
227.03409	1.3
229.05017	1.3
240.04156	2.5
241.04926	2.3
243.02879	2.3
248.04987	0.6
255.02800	0.7
257.04395	1.5
267.02927	0.8
268.01114	1.1
268.03775	16.2
269.04520	11.4
271.02353	2.4
283.05933	1.7
284.06689	2.6
285.04037	14.0
286.04434	1.5
299.01877	0.9
299.06039	0.9
299.09235	9.3
313.05945	3.3
314.04306	3.2
328.05804	0.6
361.25192	0.6
378.42224	0.6
431.09927	3.6
446.12195	6.6
447.12088	0.6
461.10434	46.7
462.11206	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63813	0.9
57.03327	0.9
59.01251	14.8
60.99174	3.6
62.62212	0.8
73.02841	1.2
75.00764	1.2
79.14085	0.7
85.02835	1.5
88.98674	26.7
97.81097	0.7
101.02315	1.8
107.01289	1.2
109.02814	1.0
113.02302	1.2
121.02834	3.6
125.02322	0.9
151.00229	1.6
153.01842	1.7
167.03401	1.2
171.79807	0.9
199.03920	1.5
211.03899	2.5
212.04756	1.1
213.05389	1.0
227.03424	3.6
239.03410	1.8
240.04248	3.9
241.04999	2.6
242.05817	1.2
255.02959	51.5
256.03555	5.4
257.04565	1.9
257.08151	9.5
267.03058	1.3
268.03720	4.2
269.01608	1.4
269.04517	23.2
270.04941	2.3
282.05637	1.1
283.02466	38.6
284.03241	42.2
285.03983	12.2
295.02313	1.3
297.04037	43.2
298.04761	15.9
298.08075	1.8
299.02328	2.6
299.05600	62.8
299.08945	2.8
300.05972	4.7
313.03748	2.1
442.45276	0.9
449.96426	1.0
461.10883	100.0
461.24042	3.2
462.11234	11.7
464.91312	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1092
Annotation	Ombuin 3-arabinofuranoside
Peak:m/z	Relative Intensity
50.81191	0.5
59.01250	6.2
64.35404	0.5
69.92451	2.6
71.01241	1.5
73.02841	0.5
101.02322	0.9
113.57151	0.5
160.01558	1.5
161.02263	1.7
164.95894	0.5
197.87775	0.5
198.03174	1.9
199.03700	0.5
201.01819	0.6
202.02621	2.6
203.03278	0.6
211.03882	0.6
214.02597	1.3
226.02657	6.2
227.03363	2.3
239.03491	0.6
242.02159	4.5
243.03239	0.6
255.02875	0.6
257.04614	1.0
266.02203	0.7
268.03894	0.6
270.01678	18.9
271.02493	5.2
274.01227	1.4
281.04526	3.1
282.05380	3.0
283.02567	0.7
284.03381	3.3
285.04041	47.5
286.04346	3.9
297.04016	0.9
298.04755	0.8
299.01941	14.3
299.05582	5.6
300.02341	1.4
300.05731	0.5
309.04123	3.4
311.05344	0.7
312.02719	0.9
313.03540	62.1
314.04233	20.8
315.04611	1.7
327.05136	5.0
328.05884	25.4
329.06647	100.0
330.07001	8.3
419.22379	0.7
461.10928	17.7
461.23828	2.4
462.11395	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	461.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03294	1.3
57.39795	1.1
57.68662	1.2
59.00946	2.0
59.01249	37.7
60.01575	1.5
70.42247	4.6
71.01249	5.4
72.86848	1.3
73.02821	1.6
75.00732	2.6
83.01252	2.8
85.02846	2.4
89.02309	1.9
101.02329	3.0
107.01309	1.4
108.02082	1.3
113.02354	1.8
117.28751	1.3
121.02865	1.4
123.00799	1.2
125.02352	2.3
151.00238	2.0
153.01863	1.4
163.00327	1.5
167.03467	1.4
187.03902	1.2
199.03993	7.4
201.01840	1.7
215.03365	5.6
225.01881	1.4
227.03343	5.7
241.05014	4.0
242.02147	12.8
243.02962	52.4
244.03279	3.6
253.05011	1.6
255.02982	5.0
257.04526	12.2
257.08267	5.9
270.01688	15.6
271.02481	58.0
271.05859	3.6
272.02734	5.6
281.04517	3.9
283.02310	2.0
283.05807	1.8
285.04044	30.7
286.04639	9.4
298.00806	1.3
299.02026	20.6
299.05518	1.7
299.08960	5.7
299.18759	1.3
300.02707	16.5
314.04327	62.7
315.01382	2.4
315.05051	46.7
316.05402	2.1
419.23007	1.7
461.10895	100.0
461.23685	12.1
462.11316	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	461.0726
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
57.03323	0.7
57.81012	0.4
59.01251	4.8
62.63243	0.3
67.01748	0.5
67.47404	0.3
71.01255	10.5
71.06931	1.0
72.99181	0.7
73.02810	1.0
75.00751	1.4
83.01240	0.5
85.02828	4.4
87.00761	1.2
89.02324	0.7
91.01766	7.9
93.03344	3.9
95.01254	1.1
98.20404	0.4
99.00768	2.0
101.02332	0.7
103.00230	2.5
108.02064	0.5
109.02856	2.3
111.00745	0.5
113.02336	5.8
117.01793	0.5
121.02854	14.7
122.03237	0.6
125.21589	0.4
127.37064	0.3
128.03531	0.4
129.01839	0.6
135.00780	17.8
136.01112	0.6
139.03926	2.9
147.00760	0.5
149.02350	4.8
153.01837	16.0
157.01266	0.5
159.04436	0.4
163.00287	18.1
164.00591	0.7
165.09082	1.2
165.98576	0.3
166.09521	0.6
167.04924	0.6
169.01288	0.7
175.02391	4.7
183.04501	0.5
185.05994	1.6
186.03142	0.4
190.25533	0.3
195.04504	2.0
196.60648	0.4
197.06145	0.5
199.03926	0.4
211.03935	3.3
212.04640	0.5
212.77049	0.4
213.05515	4.4
223.03966	1.6
224.04803	0.7
227.03473	3.4
228.04167	0.4
229.05002	11.7
230.05399	0.8
239.03513	3.9
240.04198	2.1
241.05020	2.0
255.03056	3.2
256.03726	1.0
257.04584	2.1
258.43280	0.5
267.02936	0.9
268.03619	0.6
271.02481	0.5
274.61093	0.4
284.03125	1.4
285.04047	100.0
286.04437	6.5
301.60968	0.4
327.14301	0.5
328.14725	0.9
459.78738	0.4
460.18784	2.0
461.07269	19.0
461.19220	2.2
462.07770	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58786	0.6
55.10342	0.6
57.03265	1.4
59.01178	7.4
59.01495	1.0
65.42687	0.6
70.54536	2.7
71.01176	7.3
71.01611	1.3
72.99121	1.8
73.02767	1.5
75.00669	2.5
79.94552	0.6
80.17576	0.6
81.39861	0.6
85.02740	5.2
87.00687	1.8
89.02273	1.4
91.01768	9.9
93.03249	2.0
95.01198	1.5
99.00673	2.1
101.02228	1.5
103.00208	1.2
103.99226	0.6
104.02473	0.6
108.01977	0.8
109.02767	1.8
111.00706	1.0
113.02343	4.8
119.03334	0.8
121.02857	8.0
123.00710	1.6
125.02267	1.5
126.97326	0.7
135.00793	15.3
137.02365	0.7
139.00171	1.4
139.03831	1.1
148.01575	6.8
148.90620	0.7
149.02351	3.7
153.01849	18.6
158.03580	1.4
158.16939	0.7
161.02281	1.5
163.00301	10.1
169.01224	0.9
171.04292	0.8
175.02327	2.1
175.03760	0.6
176.01016	0.8
183.04425	1.6
184.05115	1.3
185.05945	1.4
187.03879	3.7
190.02481	0.7
195.04382	1.9
199.03844	2.3
200.04648	2.4
210.03171	1.4
211.03941	6.3
212.04724	3.4
213.01836	2.5
213.05444	2.1
214.02670	5.5
215.03365	2.6
223.03905	1.0
227.03462	8.7
228.04105	2.6
229.05067	5.7
238.02602	1.0
239.03505	6.0
240.04196	8.8
241.04965	1.9
249.06007	0.7
255.02989	27.6
256.03680	7.5
257.04367	1.9
266.02155	2.7
267.02991	2.2
267.07275	0.7
268.03766	6.3
269.04489	3.2
270.01877	0.8
283.02521	9.0
283.05725	1.1
284.03271	100.0
285.04007	50.3
286.04468	3.4
298.04938	1.0
298.08484	1.8
299.05612	97.0
300.06006	7.8
446.12390	0.8
461.11154	35.8
461.24664	1.1
462.11597	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2905
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
70.38465	0.8
70.76608	1.1
70.76945	1.8
75.03517	1.0
84.29729	0.8
87.65825	0.8
107.04915	32.4
108.05261	0.9
133.97740	0.9
150.13017	0.9
153.30589	0.8
163.11198	100.0
164.11548	6.0
177.66838	1.0
283.17020	23.2
284.17450	2.1
295.17053	11.1
296.17383	1.5
386.47189	0.8
394.44049	0.9
419.38770	0.9
459.29034	72.7
460.29492	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	461.0723
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
55.01752	0.4
57.03322	1.5
59.01250	6.4
63.02263	1.2
63.23752	0.2
65.00183	0.5
67.01743	0.5
68.99694	0.4
70.97110	0.2
70.97467	0.5
71.01254	8.0
72.99167	1.0
73.02813	0.7
75.00745	2.5
83.01262	0.7
84.02016	0.3
85.02821	8.5
86.03130	0.4
87.00761	1.6
89.02302	1.2
91.01774	0.5
93.03333	2.5
95.01264	2.8
95.55901	0.2
99.00755	3.8
101.02313	0.4
103.00248	1.8
107.01266	2.7
107.65129	0.2
109.02826	1.3
111.00740	0.3
113.02326	13.1
114.02669	0.5
115.00287	1.1
117.01823	1.5
117.03331	0.6
119.01257	0.4
119.04909	0.5
120.85789	0.3
121.02795	0.3
123.00751	0.4
123.04357	0.3
124.01392	0.2
125.02335	0.5
129.01801	0.8
130.04147	0.5
131.04910	0.4
133.02873	0.3
135.00764	0.8
137.02359	0.7
139.00281	0.4
141.06987	0.5
143.04935	2.1
145.02831	0.5
145.06456	0.4
145.98192	0.2
148.04703	0.2
149.87985	0.2
151.00276	1.3
151.03941	0.3
152.00995	0.3
153.01828	0.7
154.04121	0.8
155.04907	0.2
156.05756	0.4
157.06464	1.0
158.03574	0.2
159.04433	2.0
161.02309	0.3
163.00270	2.1
165.01761	0.2
167.03529	0.3
167.04912	1.0
168.05624	0.3
169.01358	0.5
169.06499	1.1
171.04399	1.1
173.02332	0.4
173.05893	0.3
175.02396	2.6
182.03647	0.4
183.04469	0.7
185.06017	3.8
186.06303	0.3
187.02248	0.4
187.03932	4.9
189.05505	1.3
194.07510	0.2
195.04422	0.9
196.05208	0.4
197.06062	1.1
199.03903	1.1
201.05533	1.2
211.03949	1.9
212.04599	0.6
213.05510	2.2
213.07362	0.3
214.02707	0.7
215.03477	0.6
223.04013	0.3
223.16985	0.2
226.02702	0.3
227.03462	3.5
229.05005	11.9
230.05328	0.7
239.03410	1.7
240.04311	1.1
241.01320	0.4
241.05045	1.9
243.03026	0.8
255.02988	2.5
256.03674	1.4
257.01810	0.4
257.04523	7.2
258.04703	0.4
263.12836	0.6
267.02905	1.1
270.01627	0.4
271.02512	0.6
283.02451	0.6
284.03180	0.9
285.04028	100.0
286.04388	6.4
298.01248	0.3
299.01971	1.0
299.05600	0.8
461.06906	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	459.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61036	0.5
55.01744	0.9
58.00454	0.7
59.01251	100.0
60.01597	0.8
69.83258	3.5
71.01252	18.0
71.75568	0.5
72.99192	1.2
73.02825	2.6
73.33778	0.7
78.94754	0.6
83.01289	1.6
83.12504	0.5
85.02830	5.2
87.00756	1.1
89.02318	25.2
93.60442	0.5
95.01295	0.7
97.02778	0.5
97.60215	0.5
99.00784	1.8
101.02321	13.0
113.02333	9.7
113.03059	0.8
119.03386	10.0
121.98988	0.7
131.03421	0.8
140.79062	0.6
143.03452	1.2
145.06462	0.9
147.75676	0.5
149.04457	0.6
159.02992	0.7
159.04471	0.9
161.04466	5.2
163.07620	0.9
173.06020	4.0
174.03145	1.0
174.06619	0.8
179.05519	4.1
185.06126	0.6
187.07573	1.3
189.09216	1.0
202.06322	1.4
213.09164	1.5
215.07072	0.8
215.10750	1.2
217.08687	3.0
229.08589	2.8
229.12215	0.7
257.11856	8.1
258.12567	14.1
259.13202	1.8
302.11636	1.2
336.18198	0.6
355.19638	0.9
399.23865	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	459.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96758	0.4
55.01751	0.4
57.03313	0.8
59.01251	100.0
60.01591	1.1
64.42181	0.3
70.72289	1.0
71.01254	6.4
71.07286	0.4
72.99197	0.6
73.02816	1.7
74.04336	0.4
75.00765	1.2
78.12088	0.4
83.01261	0.7
85.02822	2.5
87.00768	0.7
89.02328	2.7
95.01260	0.6
99.00780	1.1
99.04420	0.7
101.02325	3.8
101.08055	0.3
109.02865	0.4
111.82057	0.4
113.02326	3.7
119.03412	0.9
125.02360	1.0
129.01859	0.5
135.00769	0.6
137.02396	0.5
143.03410	0.4
151.00230	0.4
153.01868	1.4
159.02910	0.8
161.04466	4.7
191.03448	0.5
205.12628	0.4
234.41927	0.4
249.06026	0.5
251.06618	0.4
279.16025	1.9
327.21802	1.4
327.76486	0.4
399.23871	2.8
404.81503	0.4
459.22681	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.7
57.03321	1.2
58.00472	0.5
59.01250	100.0
60.01567	0.6
69.03307	0.4
69.29753	1.9
69.30177	2.3
69.73309	0.4
71.01254	14.0
72.99187	0.7
73.02820	4.9
83.01250	2.2
85.02826	4.8
85.71841	0.4
87.00764	0.6
87.04391	0.7
89.02318	3.9
91.01777	1.8
95.01267	1.3
99.00784	1.5
101.02322	8.7
108.15112	0.4
111.00751	0.8
113.02340	6.1
113.03063	0.6
114.25542	0.4
119.03450	1.2
119.04916	12.3
120.05254	0.6
125.02429	0.4
128.03459	0.4
135.00797	3.4
143.03419	0.9
153.01828	3.9
159.02988	0.4
161.04474	4.0
162.01463	0.4
169.12193	0.6
179.05623	0.5
190.61171	0.4
255.06601	10.5
255.09293	0.6
255.19627	0.9
256.06967	0.9
297.04489	0.4
297.07770	0.6
329.19836	0.7
381.23450	0.4
399.19244	0.8
399.23898	6.9
400.24643	0.7
417.24973	6.9
418.25140	0.6
459.22458	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67142	0.3
59.01249	100.0
60.01584	1.1
67.71063	0.3
69.03339	0.3
69.67341	1.9
71.01255	6.0
72.99191	0.5
73.02830	1.9
83.01278	1.2
85.02814	2.5
87.00790	0.7
87.04398	0.6
89.02314	2.4
95.01269	0.4
97.02874	0.3
99.00759	0.8
101.02315	4.5
101.05987	0.5
110.46018	0.3
111.00822	0.4
113.02333	2.6
119.03417	0.9
125.02348	1.1
136.16899	0.3
140.24474	0.3
143.03418	0.4
144.15228	0.3
149.05968	0.6
161.04475	1.4
178.53712	0.3
206.43213	0.3
320.09204	0.5
399.00412	0.5
399.23825	1.8
417.25012	2.0
445.94849	0.3
459.21994	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.6
57.03323	0.4
59.01255	100.0
59.36780	0.4
60.01584	0.9
60.20498	0.4
69.27296	3.9
69.27714	0.6
71.01254	5.5
73.02824	2.0
75.00751	0.5
83.01289	1.0
85.02827	3.1
89.02325	2.0
99.00770	0.8
101.02322	4.1
101.63587	0.4
113.02319	3.1
117.18998	0.4
117.22228	0.4
119.03421	0.6
121.02888	0.5
125.02371	0.9
159.02875	0.6
161.04483	3.5
209.08150	2.1
399.23935	3.9
459.22446	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.5
59.01255	100.0
60.01608	0.5
61.98706	2.1
70.01064	0.8
70.01468	1.8
71.01258	4.9
73.02821	1.3
85.02843	3.0
87.00768	0.6
89.02311	2.8
97.02854	0.5
99.00767	0.5
101.02322	3.7
113.02317	2.4
116.08201	0.5
121.02832	0.4
125.02327	0.6
149.04468	0.5
159.02747	0.5
161.04488	4.0
171.10165	0.7
203.65338	0.5
210.43175	0.4
211.13402	1.0
224.45541	0.5
250.86676	0.4
285.07663	0.8
315.12473	1.9
327.21771	4.0
328.22372	0.6
354.92297	0.6
355.19296	1.8
395.18182	0.4
399.23886	2.8
400.24374	0.7
459.26663	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63206	0.3
55.01764	0.5
57.03324	0.8
57.72589	0.3
59.01252	29.1
60.01595	0.5
60.16397	0.3
69.03326	2.6
69.29269	0.5
69.29675	3.0
71.01251	6.5
71.04895	1.1
72.99155	0.3
73.02820	1.0
81.03313	0.3
83.01250	0.6
83.04929	0.5
85.02826	2.3
85.06470	0.5
87.00741	0.7
88.21500	0.3
89.02320	4.6
90.01127	0.3
95.01263	0.4
97.02914	0.4
97.06456	0.5
99.00755	0.5
101.02320	6.1
107.08585	0.4
109.06499	0.5
113.02335	2.9
119.03384	1.3
125.02374	0.4
125.09724	0.3
135.11658	0.4
143.03409	0.7
149.09630	0.6
161.04445	2.4
161.13235	0.3
167.10689	3.7
171.10147	0.7
177.12787	0.4
179.05489	0.7
179.10698	1.4
179.14299	3.5
195.12059	0.6
195.13844	10.7
196.14249	0.8
205.12279	10.0
206.12628	0.7
218.25429	0.3
223.13348	100.0
224.13692	6.0
229.14516	0.4
235.07994	0.4
253.09268	14.7
254.09644	0.8
327.21692	2.9
355.18835	0.3
399.23819	1.4
459.22360	2.5
460.22638	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.5
57.03329	1.2
59.01253	40.5
60.33948	0.5
61.98709	0.5
65.00198	0.6
67.30045	0.4
69.03336	2.6
69.48824	0.4
71.00890	0.8
71.01257	7.9
71.04889	1.1
71.58768	0.4
72.99187	0.7
73.02818	1.7
75.00759	0.4
83.01279	1.3
85.02840	3.1
85.06471	0.5
87.00735	1.1
89.02315	5.3
95.01260	0.6
95.04931	0.7
97.02814	0.7
99.00749	0.9
101.02328	6.0
107.01279	0.6
109.06509	0.7
113.02334	2.9
119.03401	1.6
124.70755	0.4
125.02335	1.2
133.05043	0.4
143.03436	0.4
145.06587	0.4
148.99939	0.4
149.04448	0.5
149.09642	0.6
151.00278	1.6
161.04474	3.0
161.13255	0.6
167.10707	3.8
171.04440	0.5
171.10173	2.1
177.12694	0.6
179.05499	1.0
179.10687	1.1
179.14363	3.7
195.13852	10.2
196.14168	1.0
205.12297	9.7
206.12639	0.6
209.11763	0.6
211.07648	0.5
213.05566	1.0
223.13356	100.0
224.13681	6.9
229.14362	0.5
235.08159	0.6
239.07291	0.5
245.28177	0.4
251.67589	0.4
253.09290	16.0
254.09636	0.7
255.06622	10.4
256.07007	1.0
269.08173	1.1
277.15649	0.4
279.06540	0.5
285.07831	0.5
297.07614	0.5
300.09982	0.7
315.12436	2.6
320.37537	0.5
327.21799	3.9
355.19150	1.5
369.31155	0.5
399.23871	1.7
459.21478	0.6
459.25931	2.6
460.26776	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27747	0.7
59.01255	100.0
61.98704	7.4
63.34379	0.8
69.81139	4.5
70.55725	0.8
71.01261	8.7
72.16930	0.7
73.02829	3.3
78.31217	0.6
83.01299	1.2
85.02847	3.5
87.00778	1.7
89.02306	4.4
95.01257	1.2
99.00774	1.4
101.02335	5.2
109.61368	0.7
111.00797	0.8
113.02359	3.1
119.03401	1.8
125.02400	0.9
161.04539	2.8
223.13364	1.4
265.98682	0.7
291.18207	1.7
355.19299	2.5
366.64456	0.8
379.79977	0.8
392.92078	0.7
399.24091	2.1
417.25443	0.9
423.22418	6.6
459.20309	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	459.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48069	0.8
55.01777	1.2
57.03317	3.2
57.99648	0.9
59.01255	58.5
65.81090	0.8
69.03323	1.5
71.00762	1.7
71.01252	23.8
72.99188	4.1
73.02824	1.9
75.00747	13.8
78.68362	0.8
83.01254	2.9
83.04911	1.2
85.02828	22.5
85.03355	1.1
87.00753	6.3
89.02325	5.5
89.16799	0.8
95.01278	4.9
99.00756	10.8
101.02329	5.1
103.00240	2.2
111.00697	1.2
111.08073	2.5
112.01563	0.8
113.02339	24.5
115.00279	1.9
117.01858	2.0
121.62135	0.8
125.02402	1.5
127.03896	1.2
129.01837	1.4
143.03476	1.1
151.03821	0.9
161.04425	1.7
165.12766	17.7
166.13054	1.3
173.06038	1.0
175.02415	1.8
183.13840	100.0
184.14175	5.6
193.03519	1.1
205.07121	3.2
209.11813	8.0
213.09180	5.8
215.10767	5.5
227.10783	1.2
227.12875	11.2
228.13203	0.9
243.13846	2.2
249.06046	4.3
254.13132	2.3
257.11780	2.5
279.59302	1.0
283.17081	3.7
311.16605	1.2
327.19492	13.4
328.20026	1.2
355.19089	14.8
356.19501	1.1
399.23865	3.1
415.19742	44.3
416.20059	4.2
438.68851	0.9
459.18781	36.9
459.29581	2.7
460.19150	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	459.151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	3.1
55.92664	0.5
57.03320	5.1
58.00467	1.1
59.01253	25.4
67.01764	0.6
68.99689	1.0
69.03337	0.7
71.01257	29.2
72.99175	5.7
73.02816	2.3
75.00746	40.0
83.01256	2.2
84.02037	0.9
85.02825	33.7
86.03152	0.5
87.00761	9.5
89.01759	0.6
89.02317	11.0
89.02834	1.0
95.01262	3.9
97.02811	1.4
98.19769	1.7
99.00752	9.9
101.02332	7.4
103.00211	1.3
111.00751	1.0
113.02332	32.6
114.02634	1.1
115.00273	2.4
116.01109	0.6
117.01851	2.6
119.03397	4.0
122.03644	0.8
125.02360	3.4
129.01805	2.0
131.03404	2.5
137.02319	0.6
148.85690	0.5
157.01329	1.5
163.07591	3.4
165.03975	13.2
169.01334	1.7
172.50461	0.6
173.04451	4.1
175.02380	5.2
191.05569	1.1
210.84676	0.5
215.05548	1.2
223.00821	0.5
230.12167	0.7
243.79762	0.5
253.85689	0.7
284.53860	0.5
321.95297	0.5
327.08655	1.3
341.12408	0.8
349.81516	0.5
399.12933	0.8
441.14182	1.1
459.15094	100.0
460.15372	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	459.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.1
56.07895	0.9
57.03329	4.8
58.00479	1.2
59.01252	53.7
59.58523	0.9
61.98692	1.9
67.01754	1.5
69.03297	1.0
69.93497	4.4
71.01254	27.7
72.99172	5.4
73.02812	3.7
75.00748	11.6
83.01249	1.3
84.02020	1.0
85.02338	1.8
85.02823	22.4
86.87430	0.9
87.00750	7.5
89.02326	6.2
95.01244	5.6
99.00768	10.7
101.02350	4.7
103.00213	2.2
109.79843	0.9
111.08035	2.8
113.02332	25.4
115.00284	1.1
117.01780	2.1
125.02349	0.9
129.01797	1.9
134.60518	1.0
161.04512	1.2
165.12750	20.0
170.16629	1.0
172.87544	0.9
173.10330	1.0
175.02376	2.4
181.12280	1.5
183.13834	100.0
184.14177	4.3
193.03430	1.4
205.07117	4.4
209.11749	8.6
213.09109	4.0
214.09511	1.0
215.10683	4.0
227.12851	9.7
229.12352	1.6
243.13766	1.3
249.06145	3.8
254.13092	1.0
283.16925	2.6
327.19498	9.9
355.19193	12.2
399.18188	1.2
399.23883	2.2
415.19739	43.6
416.20160	5.3
459.18713	36.1
459.29678	3.3
460.18945	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	459.1875
Annotation	Apiosylepirhododendrin
Peak:m/z	Relative Intensity
52.24877	0.4
53.06784	0.4
55.01756	2.0
57.03313	2.0
58.00440	0.8
59.01251	15.2
68.14553	0.4
69.03326	0.5
69.40079	2.3
69.40500	1.5
71.01257	22.4
72.99183	1.8
73.02820	10.9
73.03941	0.6
74.02330	0.4
75.00747	1.2
82.77369	0.4
83.01260	4.6
85.02821	10.3
85.05428	0.5
85.99951	0.9
87.00766	2.2
89.02316	8.0
90.43539	0.4
95.01263	1.2
97.02831	1.5
99.00764	5.1
101.02325	20.5
102.05435	0.8
106.04128	1.1
108.02063	0.8
109.26032	0.4
111.00764	1.5
113.02328	6.5
115.03912	1.3
119.03420	1.0
121.06466	0.7
123.04442	0.8
123.77218	0.4
125.02306	2.5
128.03409	2.4
129.01797	0.5
130.08604	0.6
131.03381	1.1
143.03462	0.7
143.04529	0.7
143.27193	0.4
146.04454	0.5
149.04520	0.4
154.99757	0.7
159.02983	0.5
161.04465	1.7
165.09128	54.3
166.09456	3.2
167.03403	2.2
169.01349	1.0
175.45300	0.5
180.23930	0.4
191.03384	0.4
193.04982	0.6
237.05547	0.5
306.07703	0.9
322.93521	0.4
327.14490	39.7
328.14914	4.0
330.20288	0.6
333.37366	0.5
459.18732	100.0
460.19086	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	459.1315
Annotation	8-O-Methylretusin 7-O-glucoside
Peak:m/z	Relative Intensity
50.24901	0.2
50.25240	0.2
54.90703	0.2
55.58637	0.2
59.01252	5.3
60.01586	0.3
63.02246	0.2
64.48019	0.2
65.00183	0.6
69.47300	1.4
71.01265	1.0
73.02817	0.5
81.03321	0.2
81.99113	0.2
83.01251	0.5
85.02809	0.5
89.02293	0.3
101.02310	0.7
103.05403	0.5
105.03325	0.7
107.01277	1.4
113.02357	0.6
119.04929	0.7
123.04434	1.4
130.52467	0.2
135.69234	0.2
147.04427	5.5
148.05209	1.7
149.02347	3.0
149.05545	0.9
150.05721	0.4
151.00272	5.5
151.40511	0.2
152.00635	0.3
161.02309	0.3
161.04456	0.6
163.07549	1.7
164.07916	0.9
165.08195	0.3
187.03983	0.3
190.02602	1.1
191.03427	100.0
192.03775	4.9
227.03500	0.3
227.07124	0.3
233.04584	0.2
237.05545	1.6
255.03012	1.0
269.04498	0.3
283.02457	0.6
297.07660	25.3
298.08084	2.2
312.02869	0.6
313.03360	0.2
339.08926	0.3
353.08841	0.5
355.15250	0.3
395.32587	0.2
400.42651	0.2
402.35156	0.2
459.13049	13.1
460.13339	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	8.6
64.87883	2.7
69.62273	17.5
71.01250	5.7
73.02821	59.7
82.96995	2.7
85.02838	3.4
89.02298	5.5
99.00745	3.4
100.26814	2.8
116.92734	11.4
117.01830	100.0
119.03407	3.0
119.04929	13.6
119.85624	2.8
120.05247	5.3
163.03894	9.7
176.35823	3.0
224.42764	2.9
327.08865	4.9
341.10883	5.6
461.84845	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	459.151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	3.1
55.92664	0.5
57.03320	5.1
58.00467	1.1
59.01253	25.4
67.01764	0.6
68.99689	1.0
69.03337	0.7
71.01257	29.2
72.99175	5.7
73.02816	2.3
75.00746	40.0
83.01256	2.2
84.02037	0.9
85.02825	33.7
86.03152	0.5
87.00761	9.5
89.01759	0.6
89.02317	11.0
89.02834	1.0
95.01262	3.9
97.02811	1.4
98.19769	1.7
99.00752	9.9
101.02332	7.4
103.00211	1.3
111.00751	1.0
113.02332	32.6
114.02634	1.1
115.00273	2.4
116.01109	0.6
117.01851	2.6
119.03397	4.0
122.03644	0.8
125.02360	3.4
129.01805	2.0
131.03404	2.5
137.02319	0.6
148.85690	0.5
157.01329	1.5
163.07591	3.4
165.03975	13.2
169.01334	1.7
172.50461	0.6
173.04451	4.1
175.02380	5.2
191.05569	1.1
210.84676	0.5
215.05548	1.2
223.00821	0.5
230.12167	0.7
243.79762	0.5
253.85689	0.7
284.53860	0.5
321.95297	0.5
327.08655	1.3
341.12408	0.8
349.81516	0.5
399.12933	0.8
441.14182	1.1
459.15094	100.0
460.15372	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	459.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08601	0.5
55.20884	0.5
57.03315	1.6
59.01249	7.5
63.89308	0.5
71.01258	1.5
71.16019	1.0
75.00744	1.7
82.70040	0.5
89.02247	0.6
93.72475	0.5
98.20266	1.1
99.04398	1.4
101.02290	0.6
112.75023	0.5
121.02843	100.0
122.03185	3.0
148.48686	0.5
162.29898	0.5
162.78380	0.6
180.05771	1.7
181.06517	5.4
209.04625	0.8
209.11710	1.1
225.05545	9.0
226.05930	0.6
241.57687	0.5
313.07184	18.9
314.07483	2.1
315.23795	0.6
338.79736	0.6
357.06058	4.6
358.06494	0.7
371.07504	0.9
401.08759	59.6
402.09146	7.2
476.52621	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28923	0.5
55.01759	3.4
57.03311	0.5
59.01252	11.1
70.59704	1.1
71.01257	2.2
72.99180	3.4
75.00746	41.3
76.01101	0.9
82.56239	0.5
85.02824	1.9
87.00743	0.9
89.02321	1.2
95.33790	0.4
101.02325	1.5
101.97072	0.5
103.00234	2.0
109.02817	0.7
117.01834	0.6
121.02835	0.6
122.03645	3.1
125.02328	1.6
126.02696	0.9
127.19328	0.5
129.01834	10.4
147.02893	3.1
154.02614	0.6
163.07552	14.9
164.07831	0.9
165.03958	100.0
166.04358	2.4
168.17679	0.5
169.01343	1.7
170.01680	0.9
171.01825	0.8
203.07100	0.9
207.04936	1.1
207.06644	1.2
225.07602	0.8
240.89406	0.5
258.13367	0.5
265.07245	2.2
267.08911	0.8
327.08563	0.7
427.12418	1.4
459.11002	1.4
460.12231	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80031	0.5
55.01765	0.8
57.03326	0.9
59.01252	100.0
59.99162	0.5
60.01589	0.8
71.01257	14.0
71.59272	1.0
72.99185	1.0
73.02819	4.4
75.00769	1.0
83.01288	1.6
83.02395	1.5
84.01914	1.3
84.94987	4.4
85.00343	0.7
85.02820	6.6
89.02309	5.2
93.03358	0.6
95.01294	1.5
97.48415	0.5
99.00786	1.8
101.02319	7.8
102.29299	0.5
111.00804	0.5
113.02333	6.6
113.02934	0.6
115.44827	0.6
119.03419	1.9
119.04833	0.7
125.02361	1.6
129.01828	0.8
131.55518	0.5
143.03444	1.7
146.87727	0.5
159.02904	1.8
159.04279	0.6
161.04474	15.1
163.03928	0.7
165.09094	1.3
169.01291	0.8
205.03450	0.6
209.08148	5.8
210.08476	2.9
235.13162	0.6
235.17101	0.8
249.06172	0.9
267.07309	1.3
269.11188	0.5
295.06201	4.9
325.20496	0.6
360.33295	0.6
397.22321	5.8
398.23019	0.8
442.39908	0.6
447.49594	0.6
457.20380	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.6
57.10081	0.4
59.01250	100.0
60.01583	1.2
69.35001	1.8
69.35429	2.4
71.01250	8.9
72.99190	0.5
73.02826	1.7
81.03331	0.5
83.01277	1.2
85.02806	2.5
87.00759	0.6
89.02321	6.6
98.19736	0.8
99.00748	0.8
101.02324	5.6
113.02338	4.0
119.03393	2.8
125.02349	1.9
131.03424	0.4
137.02393	0.5
143.03397	1.2
159.02872	0.8
161.04478	5.2
163.03931	1.3
164.15382	0.4
165.09187	0.9
167.03416	1.0
178.06360	0.8
179.05537	2.1
193.08649	1.4
209.08156	0.7
251.09229	5.2
278.42197	0.4
281.10342	1.2
316.44293	0.5
397.22333	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59209	0.4
53.19193	0.4
55.01764	1.0
57.03331	0.9
58.00462	0.6
59.01253	100.0
60.01598	0.8
61.64940	0.3
69.03345	0.4
71.01257	16.3
71.60063	0.6
72.99178	0.9
73.02826	4.2
73.03953	0.3
75.00756	1.5
83.01284	1.4
85.02826	7.0
87.00735	1.6
89.02322	5.9
92.90096	0.4
93.03363	0.4
95.01274	1.2
97.02811	0.7
97.03962	0.3
98.22810	0.4
99.00742	1.8
101.02324	9.7
107.01290	1.4
109.02866	0.3
111.00792	1.1
113.02335	8.6
115.05036	1.2
119.03419	2.2
119.04912	3.6
121.02818	0.5
121.06519	0.6
123.00779	1.6
124.01652	0.7
125.02344	9.1
125.03246	0.6
127.00271	0.4
129.01865	0.6
130.08618	2.0
133.40773	0.4
136.98685	0.6
139.00325	0.9
140.01105	1.1
141.01857	0.4
143.03406	1.2
149.02365	0.3
151.00310	0.9
157.13376	0.5
159.02960	1.6
161.04472	14.5
162.04846	0.5
163.03946	2.0
163.11102	0.4
165.03938	0.6
167.03447	0.6
168.00589	3.4
169.01335	11.3
170.01669	0.8
173.38022	0.4
179.05586	0.4
191.03462	0.4
191.10735	0.4
204.34076	0.3
205.03555	0.6
205.12236	0.4
211.02434	19.7
212.02808	1.0
231.04063	0.7
233.29517	0.4
235.17213	0.4
241.03546	0.7
252.04659	0.4
267.07242	0.4
270.21875	0.7
271.04611	34.4
272.05026	2.2
299.02112	1.2
300.02774	0.8
301.03772	0.5
331.06757	3.8
397.22308	7.1
397.27396	0.4
398.22888	0.9
413.24051	2.9
439.20926	0.8
457.12955	0.8
457.17822	1.0
458.19287	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.6
57.03313	1.8
59.01249	51.9
61.98700	0.5
69.03315	0.6
69.39303	4.5
71.01253	13.8
72.62409	0.5
72.99191	1.2
73.02818	3.1
75.00730	1.4
83.01255	1.7
85.02822	5.1
87.00744	1.2
89.02314	4.5
95.01231	1.1
97.02846	0.9
98.19846	1.1
99.00762	3.3
101.02326	7.3
107.01280	3.8
109.02888	0.6
111.00778	2.4
113.02323	6.6
115.03867	0.5
119.03376	1.2
119.04937	4.0
120.78835	0.5
121.02866	0.6
121.06453	3.6
123.00782	3.9
124.01580	1.4
125.02341	21.3
126.02650	0.5
129.01851	0.8
130.08624	0.9
136.98692	1.2
137.02365	1.0
139.00261	2.1
139.03955	0.6
140.01054	2.8
141.01837	0.7
143.03392	1.0
148.05208	11.8
149.04437	1.0
149.05852	1.0
151.00256	1.2
153.01894	0.6
159.02908	1.3
161.04472	10.1
163.03922	3.3
163.07541	10.2
165.01828	0.6
165.03946	1.8
167.03392	0.9
168.00566	11.1
169.01343	29.5
170.01665	0.9
175.02397	0.5
211.02428	48.3
212.02733	2.1
241.03476	1.5
249.06143	0.8
267.07144	1.4
270.03610	0.6
271.04578	100.0
272.04913	5.1
325.12946	0.6
331.06662	12.3
332.07147	0.7
397.22433	2.3
398.22299	0.5
413.24161	2.7
457.17087	7.1
458.18710	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.3
58.00462	0.4
59.01251	100.0
60.01582	1.3
61.51583	0.3
61.98696	0.3
65.94986	0.2
71.01254	10.5
71.58195	0.3
71.58540	0.3
72.99178	0.7
73.02818	4.3
74.37296	0.3
81.03323	0.3
83.01253	2.0
85.02824	3.2
87.00764	0.6
89.02316	4.6
95.01289	1.1
96.95912	0.7
98.95477	0.3
99.00776	0.5
99.08075	0.5
101.02320	6.1
103.28020	0.2
113.02326	8.4
114.02629	0.3
119.03394	2.1
119.04945	0.8
123.04386	0.3
125.02374	1.1
127.07533	0.4
131.03398	0.7
138.06810	0.7
143.03448	0.7
149.04520	0.5
153.09116	2.4
161.04507	2.1
162.04855	0.3
163.03954	1.2
165.09167	0.7
169.01433	0.4
171.10289	0.3
178.06328	0.7
179.05595	0.8
193.08659	0.9
209.08125	4.8
210.08508	0.4
251.09135	0.3
305.03076	0.8
355.12430	0.3
397.22345	2.6
398.22836	0.4
415.23700	1.4
421.21017	0.8
457.18695	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17654	0.4
55.90328	0.4
59.01251	100.0
60.01594	0.9
63.61754	0.5
66.05270	0.5
69.33490	2.2
69.33924	2.1
71.01257	6.8
71.33633	0.5
73.02826	2.3
78.27609	0.4
83.01257	0.6
85.02845	1.7
89.02313	6.6
98.20615	0.8
101.02329	3.2
113.02328	3.6
115.31083	0.5
119.03415	1.9
125.02345	0.7
158.81317	0.4
161.04515	1.9
169.92784	0.5
179.05597	1.2
200.85457	0.4
248.47578	0.5
266.65857	0.5
267.37082	0.4
278.11877	0.4
285.04401	0.6
457.19193	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74139	0.6
55.01768	3.2
59.01253	44.6
62.33176	0.5
69.03325	0.6
69.58418	3.3
69.58825	1.2
71.01260	4.4
71.68559	0.6
72.99192	1.0
73.02824	19.4
85.02822	0.9
87.00737	2.0
89.02321	18.9
99.04371	0.9
101.02325	1.6
103.00260	2.3
103.03879	2.0
108.59300	0.5
116.89576	0.5
119.04924	0.7
121.02870	2.8
131.03409	13.1
149.04466	100.0
150.04820	1.8
162.06767	3.9
177.09128	6.9
179.07048	2.3
191.05598	1.1
221.08144	1.6
239.09233	2.8
247.88905	0.7
282.19687	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.5
59.01252	100.0
60.01592	1.2
69.58324	0.9
69.58739	2.3
71.01251	5.2
73.02822	4.1
83.01260	1.0
85.02831	1.4
89.02322	2.8
95.01299	0.5
96.95911	0.6
98.95473	0.5
101.02323	4.7
107.00608	0.3
113.02334	4.0
119.03381	0.8
125.02343	0.9
125.52634	0.4
131.03432	0.6
135.90680	0.4
143.32349	0.4
153.09082	0.4
161.04460	0.9
163.03947	1.5
178.06281	0.8
179.05511	0.5
191.12462	0.4
193.08652	1.7
209.08185	1.1
317.28366	0.4
366.07050	0.4
397.22617	0.7
415.23526	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50873	0.5
54.91116	0.4
57.03312	1.1
58.38545	0.4
59.01251	14.8
61.98719	0.5
62.97075	0.5
65.00161	0.8
69.03323	0.4
71.01254	4.0
71.58755	0.6
71.59174	0.6
73.02842	0.9
81.03330	6.3
83.01252	1.4
85.02822	4.0
89.02317	1.7
89.16962	0.5
95.04887	0.6
97.02830	1.1
99.08018	1.8
100.54559	0.5
101.02320	2.2
101.05949	0.8
103.03881	0.6
109.02837	0.6
112.69588	0.5
113.02329	1.3
119.03368	0.6
123.08059	3.1
124.01564	0.7
125.02354	6.5
125.05973	6.3
127.07524	0.6
137.02283	0.6
139.07481	0.6
141.09090	1.0
145.02670	0.5
149.02342	2.1
150.06749	0.5
151.00337	0.5
152.01103	0.6
159.47794	0.6
161.04530	0.7
165.09122	37.0
166.09460	1.9
169.01355	0.6
179.07048	1.1
185.30025	0.5
191.07057	1.8
191.61118	0.5
193.08687	1.0
205.08626	1.4
209.08133	100.0
210.08469	6.5
215.07077	1.3
217.00203	0.9
221.08162	0.8
223.09738	3.1
233.08154	27.7
234.08542	2.5
251.09216	11.1
252.09534	0.8
263.09174	2.9
275.09549	0.5
355.00723	0.5
364.50146	0.5
386.81998	0.5
397.22327	1.1
439.16095	2.7
457.17233	7.7
457.23752	0.9
458.17426	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.9
58.06939	1.3
59.01250	29.6
59.25230	1.6
61.98720	1.5
63.88469	1.3
65.75768	1.5
68.17628	1.6
69.62341	4.5
69.62753	6.1
71.01260	5.5
73.02826	1.7
81.03332	3.3
85.02818	4.1
85.33795	1.3
89.02343	3.4
94.98057	1.4
96.95894	5.7
98.20026	3.9
98.20557	1.5
98.95487	8.0
98.96286	1.3
101.02330	2.8
113.02328	3.6
119.03373	1.9
119.04874	2.7
122.03600	2.5
125.02354	8.1
125.06003	2.3
137.02332	1.6
152.99496	2.0
163.03960	2.2
165.09120	19.0
209.08138	100.0
210.08472	6.3
233.08136	1.8
235.13826	1.3
239.25514	1.6
307.57242	1.5
393.44409	1.6
413.14365	1.6
421.20636	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	2.4
59.00949	2.5
59.01254	51.4
61.98709	1.8
71.01247	7.6
71.47018	3.4
73.02820	3.8
81.03333	4.8
83.01281	2.6
85.02832	4.9
89.02321	3.2
101.02341	6.1
113.02328	5.6
119.04921	3.3
123.08069	3.4
125.02365	8.1
125.05976	4.1
151.00224	2.3
161.04594	2.1
163.03893	3.0
165.09134	23.4
189.61711	1.4
209.08136	100.0
210.08537	5.0
225.22725	1.6
249.05917	2.1
254.71754	1.9
267.07257	2.3
295.06116	6.7
308.98062	1.6
397.22375	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19777	0.2
54.50426	0.2
57.03320	0.4
59.01247	1.3
61.05065	0.2
62.08943	0.2
66.29053	0.2
67.20840	0.2
70.72627	0.7
71.01269	2.1
73.02827	0.8
78.25991	0.2
83.01268	0.3
85.02840	0.4
89.02336	0.8
93.03345	0.5
99.00774	1.4
101.02356	0.9
113.02340	0.6
117.03360	0.3
119.04919	100.0
120.05251	3.7
125.02319	1.9
132.56235	0.2
133.06519	0.4
140.31090	0.2
143.41319	0.3
145.02908	0.3
161.02443	0.3
161.06021	0.7
163.03923	51.6
164.04245	2.2
167.03415	0.3
169.01376	2.5
205.05038	1.3
208.67107	0.3
305.06723	0.3
325.09280	1.1
379.05029	0.2
457.13510	62.4
458.13837	7.0
460.91565	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53779	0.2
59.01258	0.6
69.82618	1.3
69.83032	0.6
71.01261	1.2
73.02822	0.4
82.19909	0.3
89.02307	0.7
93.03345	0.5
99.00780	0.8
101.02348	0.4
101.45240	0.3
119.04913	95.0
120.05270	3.3
146.70128	0.3
149.45615	0.3
161.04568	0.4
163.03917	100.0
164.04247	3.4
169.01324	0.3
205.04956	0.9
325.09290	0.8
457.13483	10.5
458.14093	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.135
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63224	1.7
59.01245	3.6
69.53990	14.6
85.02820	2.0
89.86109	1.7
119.04913	100.0
120.05282	4.1
125.02322	7.5
150.17790	1.8
151.03918	5.7
153.01871	4.5
163.03914	55.9
165.64374	1.8
165.88464	1.7
169.01376	4.6
170.04530	1.9
288.58362	2.1
303.05096	3.7
356.06027	2.3
356.44720	1.9
457.13528	51.7
458.13699	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	457.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10479	0.7
57.03309	3.1
57.83558	0.8
59.00992	1.1
59.01253	13.6
60.91281	0.7
65.00194	0.8
68.01814	0.7
69.62421	6.0
71.01248	2.7
73.02795	0.7
81.03321	6.3
83.01247	1.3
84.58440	0.8
89.02330	1.0
97.02761	0.8
98.19849	1.1
99.04387	3.3
99.08054	1.7
101.02330	2.1
109.02841	1.1
113.02355	1.2
118.15079	0.7
123.08047	2.5
125.02319	5.2
125.05965	6.2
135.04509	0.9
136.05225	1.0
149.02377	1.5
165.09117	34.5
166.09393	1.3
186.85014	0.7
191.07071	1.7
193.08615	1.3
209.08128	100.0
210.08490	5.6
217.00165	1.3
223.09737	1.2
233.08134	21.8
234.08423	1.9
241.69025	0.8
251.09190	9.4
263.09378	1.9
356.76651	0.8
362.57657	0.8
395.14258	1.0
413.14511	10.0
414.14844	1.0
454.95197	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	2.9
59.01254	3.6
63.54353	0.3
67.21269	0.3
69.03349	1.7
69.41811	0.4
69.71703	2.4
71.01259	2.6
72.99168	0.6
73.02821	0.4
73.26556	0.3
75.00743	3.9
76.63229	0.3
81.03339	0.9
83.01282	0.5
85.02825	1.6
86.02382	0.5
87.00745	0.9
89.02322	0.7
93.03332	0.6
95.01258	1.1
95.04899	0.4
97.02827	2.3
99.00748	1.0
101.02329	0.6
103.00217	0.4
105.03355	0.8
107.01282	1.0
109.02805	1.6
113.02345	1.7
119.04918	15.2
121.02853	0.4
123.00758	1.2
123.04437	0.4
124.01544	1.1
125.02335	68.6
126.02672	2.0
127.37520	0.4
128.03381	0.5
129.01846	0.9
133.02852	0.3
133.31705	0.4
135.04405	1.3
137.02347	3.2
139.00253	0.5
139.03903	1.1
143.04639	0.3
147.02881	0.8
149.00870	0.4
149.02356	0.5
151.03778	0.4
161.02371	4.9
161.04453	0.4
161.05977	0.6
163.03932	1.8
163.07571	0.4
164.01103	0.4
165.01859	1.4
165.03941	3.1
166.02657	0.4
166.99724	0.4
167.03389	1.7
168.00511	0.7
169.01335	100.0
170.01688	3.5
175.03862	0.5
175.07478	0.4
177.05489	1.0
179.03413	1.2
187.07600	0.6
191.06950	0.4
193.01346	3.5
207.05090	0.8
217.13924	0.4
219.06534	0.9
221.04691	0.4
254.07863	0.4
269.04547	0.7
287.05627	1.0
305.06653	5.8
306.06982	0.6
309.74414	0.4
322.62164	0.3
331.04449	1.7
457.07791	0.7
457.13007	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47924	0.4
57.03331	0.8
58.66924	0.4
59.01247	4.6
65.00202	1.0
71.01257	1.9
71.11943	1.1
73.02818	0.9
77.03857	1.0
78.68539	0.4
78.95805	0.4
79.01771	2.4
83.01284	0.5
85.02840	0.4
93.03333	9.3
97.02822	0.5
98.02351	0.6
101.02335	1.0
105.03337	0.8
107.01273	1.2
109.02846	0.6
115.05422	1.1
117.03354	0.5
119.04927	2.6
121.02860	4.4
123.00793	0.6
123.04392	0.7
125.02360	2.7
135.04436	0.8
136.01582	1.8
137.02344	0.8
139.03918	0.8
143.04932	20.1
144.05234	0.8
145.02856	1.6
147.04449	0.9
147.51820	0.5
149.02330	1.7
149.05817	0.4
151.00301	0.6
151.03894	0.6
152.04552	0.4
161.02354	1.6
161.06006	0.5
161.97725	0.4
163.00273	1.2
163.03932	4.4
164.01022	1.1
164.04164	0.4
165.01854	7.2
169.01311	1.0
175.03912	1.2
177.01868	1.3
179.03587	0.4
183.02893	0.8
183.04485	0.5
185.06097	1.0
187.03966	0.9
191.03377	0.8
193.01389	0.7
201.01814	0.6
203.03438	2.2
205.01488	0.5
208.88985	0.5
211.04002	0.5
215.03441	7.2
221.06149	0.7
221.09604	0.8
222.06842	0.9
223.07672	0.9
227.03535	0.7
235.07582	0.6
236.68761	0.5
241.08623	2.5
249.05577	0.6
250.06418	0.6
263.07104	0.7
265.05078	0.5
265.08633	2.7
277.08588	0.6
279.06686	1.1
281.08499	0.4
293.04462	0.4
294.05145	2.1
295.06064	5.2
306.37115	0.4
307.06155	7.1
308.06824	6.9
309.07657	33.0
310.07941	2.6
319.05972	0.8
321.07639	3.5
335.05627	0.7
337.07162	100.0
338.07523	10.7
349.07144	10.2
350.07639	1.2
367.08215	27.8
368.08517	3.6
379.08374	2.3
397.09268	0.7
409.09210	0.8
421.09305	0.9
422.22998	1.1
439.10226	1.3
457.11386	53.0
458.11624	6.7
482.16501	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0773
Annotation	Epigallocatechin Gallate
Peak:m/z	Relative Intensity
57.03320	1.9
59.50386	0.4
69.03326	1.9
70.16365	0.8
70.16780	1.3
71.93521	0.3
81.03329	1.4
83.01270	0.9
92.66967	0.4
95.01264	0.7
95.04896	0.4
97.02821	2.1
99.00713	0.3
105.03361	0.7
107.01270	0.9
109.02824	1.0
109.06554	0.3
123.00762	1.1
124.01551	0.4
125.02332	67.0
126.02692	2.3
133.02797	0.5
137.02351	3.0
139.03911	1.3
149.02367	0.4
159.04399	0.4
161.02364	4.5
165.01834	1.5
166.99762	0.7
167.03465	1.6
168.00526	0.4
169.01332	100.0
170.01691	3.1
177.05490	1.2
179.03421	1.0
193.01384	3.4
201.05469	0.4
219.06548	1.1
221.04549	0.7
269.04605	0.9
287.05673	0.5
305.06653	6.6
331.04565	1.6
457.07907	0.8
477.96158	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	56.3
71.01258	4.1
71.57795	1.6
75.00756	1.6
81.03338	6.4
83.01270	3.1
84.49622	1.3
85.06457	3.9
87.04391	2.4
95.01215	1.3
95.04906	9.4
97.02839	5.9
98.19818	3.3
99.77205	1.8
101.02322	1.6
109.06467	4.2
111.04393	12.1
123.04440	2.5
123.08023	1.6
125.02355	20.4
137.02353	2.5
140.79202	1.4
150.06758	3.0
151.07574	13.4
153.05469	2.7
155.03468	1.9
163.07544	1.5
163.11188	2.3
165.09094	9.6
167.03435	15.9
167.07005	3.3
175.07523	2.1
177.09090	2.8
179.07082	4.3
191.07051	2.7
193.08617	6.6
195.06566	39.2
196.06798	2.1
197.04459	1.7
205.12344	2.4
207.06581	7.9
209.08144	5.6
221.08113	3.3
236.23750	1.7
237.07652	100.0
238.08067	5.6
247.13551	2.5
249.07622	3.0
249.11362	10.5
249.43597	1.7
261.11264	3.6
267.08737	33.2
268.09039	3.3
279.08566	1.5
291.12372	20.6
293.14023	2.8
303.12341	2.8
305.13898	3.1
321.13361	9.3
335.15009	69.6
336.15335	4.6
347.14828	3.6
355.09769	2.5
365.16013	37.5
366.16409	4.5
377.16101	2.8
437.18100	4.1
455.18933	11.9
455.35162	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60570	0.3
59.01237	0.4
66.42023	0.3
71.16013	0.8
96.95905	0.3
120.27058	0.3
367.81781	0.4
386.37192	0.3
455.35300	100.0
456.35657	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	455.3528
Annotation	Ursolic acid
Peak:m/z	Relative Intensity
59.65915	0.4
65.43699	0.3
68.32629	0.3
89.36719	0.3
140.61128	0.3
149.74997	0.3
173.34291	0.4
455.35272	100.0
456.35602	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	457.0776
Annotation	(+)-Gallocatechin gallate
Peak:m/z	Relative Intensity
57.03320	5.4
59.01247	12.1
67.20530	1.6
69.03336	2.9
71.01261	2.1
71.12832	4.7
71.13206	1.8
74.35020	1.9
83.01255	9.0
85.02830	1.5
93.03346	1.8
107.01303	5.3
108.01994	1.8
109.02828	4.2
119.04916	27.4
123.00755	12.6
123.04403	38.0
124.01574	2.3
125.02338	100.0
126.02711	2.9
131.04951	3.3
137.02348	5.8
139.00327	2.7
139.03871	1.6
141.01880	2.5
149.02350	3.1
149.05942	4.1
150.03148	6.6
151.00288	22.6
151.02660	4.0
151.03909	82.8
152.04289	2.7
153.01837	77.2
154.02216	3.3
161.02332	8.4
163.03925	14.4
164.01047	3.0
165.01871	1.8
167.03502	2.1
169.01337	99.2
170.01711	3.4
179.07048	2.0
198.80151	1.9
269.04550	2.1
275.05807	2.0
287.05621	5.6
303.05087	67.1
304.05463	5.7
305.06754	8.9
331.04846	2.7
432.13895	1.7
457.08051	2.6
457.13593	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45348	0.2
57.03325	0.4
59.01252	12.2
61.98695	0.3
63.02267	0.4
67.90500	0.2
71.01240	0.7
83.01236	0.4
84.85888	0.2
85.02832	0.3
89.02310	0.3
98.19749	0.5
101.02321	0.5
113.02345	0.3
125.02338	3.0
125.05965	0.3
149.02356	0.6
167.03378	0.4
203.03441	6.0
204.04208	11.7
205.04785	0.7
217.04997	0.5
217.08643	0.3
218.05850	1.1
232.07309	0.3
233.08153	100.0
234.08478	7.8
267.07260	0.2
275.09183	0.3
395.13474	0.5
445.99506	0.2
455.15115	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	12.2
62.01378	0.2
70.52676	0.6
70.53071	0.5
71.01260	0.4
89.02327	0.6
94.87609	0.2
101.02357	0.3
123.82923	0.2
125.02332	0.9
149.02446	0.3
203.03444	5.9
204.04208	9.9
205.04630	0.3
210.31679	0.2
217.05022	0.4
218.05716	0.5
233.08162	100.0
234.08501	7.2
275.09402	0.3
395.13345	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	7.3
65.22034	1.2
69.03342	2.7
71.01258	2.6
72.28786	1.1
73.71197	1.1
81.03344	6.0
83.01260	2.1
85.06473	2.6
87.04385	2.8
95.01235	1.5
95.04900	9.6
97.02831	5.1
97.86935	1.3
98.19676	2.1
99.04404	1.4
109.06484	3.9
111.04416	13.3
113.02324	2.2
113.93101	1.1
121.06490	1.1
122.03602	1.5
123.00794	1.3
123.04410	3.5
123.14091	1.1
125.02342	20.6
127.07513	1.9
135.08107	2.1
137.02350	3.4
139.03947	1.5
141.09132	1.2
149.09618	2.2
150.06772	3.3
151.07556	14.4
153.05499	2.3
155.03458	2.7
163.11200	4.2
165.09142	9.5
167.03445	13.9
167.07103	2.3
177.09096	3.4
179.07056	4.7
191.07059	2.6
193.08656	4.1
195.06575	34.4
196.07002	1.5
197.04451	1.7
205.12292	3.1
205.48163	1.1
207.06699	7.1
209.08147	5.3
221.08167	3.7
233.08115	2.0
237.07658	100.0
238.05727	1.7
238.07942	6.8
247.13289	2.9
249.07701	4.0
249.11292	13.4
251.09065	1.4
261.11288	4.7
267.08755	28.4
267.11606	1.7
268.09055	2.2
279.08664	1.8
291.12372	18.2
292.12802	2.0
293.13977	2.7
303.12372	3.2
305.13959	2.4
321.13480	9.1
335.15015	65.1
336.15363	9.1
347.14990	3.0
365.16061	37.6
366.16403	3.7
377.15872	1.7
437.18121	3.5
455.19196	11.1
455.34967	1.9
456.19833	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	455.169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	0.8
57.03329	1.7
59.01253	21.7
61.98704	1.7
67.57021	0.7
69.03319	0.9
71.01251	5.8
72.11012	0.8
72.66582	0.7
72.99168	1.3
73.02811	2.9
75.00777	1.1
78.95779	52.0
83.01263	0.9
83.04893	1.2
85.02825	2.5
87.00766	1.3
88.03936	1.2
89.02328	2.7
90.10262	0.8
91.01774	1.2
96.95879	1.0
96.96844	3.3
97.06473	0.7
99.00801	1.0
101.02338	2.5
109.02827	1.0
111.08076	1.1
113.02328	2.5
119.03381	1.0
119.04923	3.4
125.02345	1.8
133.06499	1.9
135.04445	1.2
150.97922	1.0
151.07617	1.1
152.99498	54.7
159.52486	0.7
161.04469	0.9
163.03897	1.6
165.12781	24.2
166.13083	1.6
171.00574	8.5
177.05484	6.8
183.13840	100.0
184.14221	4.9
195.06656	1.3
209.11751	3.1
221.65402	0.9
227.03249	3.9
227.12846	43.3
228.13159	2.4
229.44376	1.0
245.04250	2.5
363.12149	4.2
381.12881	1.2
437.15857	2.6
455.16885	88.5
456.17136	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	455.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79523	0.3
59.01254	1.8
61.98688	0.4
66.91194	0.3
68.56290	0.2
69.48248	1.4
69.48672	1.0
71.01260	0.4
78.83537	0.3
78.95773	0.5
79.95608	1.8
82.53436	0.3
96.95892	100.0
97.95866	0.4
103.03915	0.4
110.08049	0.3
119.03645	0.3
151.07524	0.6
151.62782	0.3
195.06606	2.5
219.06520	0.8
219.08748	0.3
293.03360	0.4
357.12091	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0985
Annotation	CHEBI:70257
Peak:m/z	Relative Intensity
57.03308	1.3
59.01252	12.3
61.98695	1.8
63.79166	0.8
67.01740	1.2
69.03326	2.9
70.29891	3.6
71.01263	4.1
72.99199	0.9
73.02805	2.8
81.03316	3.1
83.01263	4.8
85.02830	2.7
89.02324	1.8
93.03341	1.2
95.01263	2.8
95.04896	5.1
97.02831	23.2
98.20453	0.8
99.00768	1.4
101.02361	0.8
107.01273	9.8
108.02068	2.8
109.02846	2.1
111.00777	3.5
113.02347	1.7
115.00317	0.9
115.70887	0.7
118.98026	0.9
119.04935	10.7
120.15192	0.8
121.02827	4.8
122.03622	6.7
123.00788	6.0
123.04419	5.1
124.01581	3.9
125.02339	65.5
126.02663	2.0
127.00219	1.6
134.03610	1.6
135.04411	1.0
136.98743	2.0
137.02351	21.4
138.03062	1.9
139.00298	3.4
139.03941	4.0
140.01042	4.4
141.01746	0.8
145.02863	3.9
148.01588	2.2
149.02351	8.8
150.03114	3.5
151.00310	2.4
151.03911	2.4
153.01784	1.1
153.05489	1.1
154.02586	1.0
159.04483	2.4
160.05200	2.2
161.02292	1.4
163.03906	3.6
163.07547	1.1
164.01109	1.8
164.04619	0.8
165.01865	8.1
165.05472	1.9
166.02615	2.7
166.99754	2.2
167.03372	2.4
168.00563	6.1
169.01341	100.0
170.01707	2.7
173.06004	1.7
175.03847	0.9
177.01837	4.0
179.03377	2.3
183.02988	0.8
183.04434	1.5
184.05176	2.0
185.06010	1.1
186.03120	1.5
187.03938	1.4
188.05057	0.8
199.07579	0.8
200.04718	1.1
201.05560	3.2
202.06291	4.8
203.06975	0.9
204.04175	5.1
211.04062	1.4
215.07253	0.9
217.08643	4.6
219.06586	4.7
220.07358	7.4
225.05551	3.0
226.06290	6.3
227.03444	2.1
229.05058	0.8
235.09705	5.7
241.05078	1.7
241.08614	5.0
242.05846	1.5
243.06581	1.1
244.07326	7.8
245.04501	0.8
245.07828	0.8
246.05223	1.0
251.09238	8.4
253.05009	1.4
255.02916	1.8
257.08243	1.0
258.05084	0.8
259.09763	3.4
261.07724	1.7
269.04498	1.3
270.05353	9.9
271.05716	1.0
273.07785	1.8
275.09207	1.6
285.07678	44.3
286.08206	3.7
288.06375	1.0
289.07132	1.8
303.08746	91.5
304.09116	7.5
317.06494	3.8
383.69168	0.7
416.80054	0.9
424.19818	1.0
441.94846	0.8
455.05521	5.0
455.09976	10.0
455.20352	1.6
470.46542	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3375
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
60.58168	0.9
65.27888	1.0
69.27640	11.4
76.27419	0.9
78.04679	0.8
82.08626	0.9
87.84363	0.9
161.40417	0.9
222.93268	1.1
253.46049	1.2
279.23282	5.1
319.93658	1.1
357.32578	1.2
407.33310	1.7
453.33737	100.0
454.34039	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	455.0659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.7
78.56368	0.3
88.03915	0.5
88.36844	0.3
146.60921	0.3
163.08174	0.4
167.04932	0.7
183.04427	1.4
195.02753	0.5
195.04440	7.2
196.04668	0.5
203.80420	0.3
210.06824	0.9
211.03955	6.3
213.28064	0.3
223.04057	1.9
225.05511	0.7
235.46727	0.3
239.03458	40.7
240.03760	3.3
249.09319	0.4
253.05064	0.7
254.05836	25.0
255.06187	2.3
266.02225	0.7
267.02975	8.8
268.03250	0.5
281.04630	1.1
282.05338	97.1
283.05649	9.1
297.07672	100.0
298.08005	10.1
300.02353	0.3
455.06613	13.9
456.06989	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	453.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08738	0.6
55.01756	2.3
57.03324	6.0
59.00954	1.1
59.01252	22.6
67.01742	0.9
69.03313	1.7
69.65626	0.7
71.01256	29.2
72.99187	8.7
73.02826	5.3
75.00747	33.0
79.52734	0.7
83.01261	4.4
85.02826	41.0
85.99947	1.2
86.03146	1.6
87.00753	12.4
89.02317	4.0
94.97923	1.4
95.01263	4.0
96.95905	1.4
97.02827	2.4
99.00758	13.1
101.02325	10.7
103.00226	1.0
106.92092	0.7
108.01995	0.7
109.02832	0.8
110.89719	0.7
111.00760	1.1
112.01530	1.1
113.02335	35.4
115.00256	4.1
117.01824	2.0
117.20468	0.7
122.28871	0.8
125.02343	2.9
129.01799	1.5
131.03433	1.0
134.03633	0.8
135.04431	2.4
137.02318	1.5
139.00240	0.8
148.05170	1.9
149.00807	2.7
149.06020	0.7
157.01381	1.4
161.04373	1.2
163.03952	3.9
165.01837	0.9
173.04475	1.0
175.02438	3.5
175.03731	0.8
177.05574	0.7
183.04465	1.8
189.05531	1.2
191.03418	2.3
192.03911	0.8
213.09152	4.8
215.03453	1.3
216.04166	1.8
217.04958	1.6
277.16550	3.9
289.10730	4.0
304.04190	0.8
321.13522	1.5
335.16934	0.9
337.05774	0.8
385.27798	0.7
433.18387	0.8
453.19763	100.0
454.20236	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	453.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	6.4
58.00462	4.6
59.01249	76.1
69.03308	3.9
71.01251	40.4
71.57057	2.4
72.99175	5.8
73.02808	4.2
75.00731	2.0
81.03323	17.0
82.03655	2.6
83.01273	2.3
83.04893	27.6
83.73432	1.8
84.05221	6.0
85.02814	10.4
87.00737	9.2
89.02316	42.7
95.01251	4.5
97.02834	23.7
98.03640	2.3
99.04386	16.0
101.02324	25.4
111.04455	1.8
113.02332	14.7
119.03390	16.9
123.08022	12.7
125.02332	2.1
125.07135	1.9
131.03372	2.6
143.03384	3.5
149.09616	4.9
151.07521	2.4
161.04456	2.4
167.07025	26.2
167.10719	10.2
172.22404	1.6
179.05496	13.7
211.09695	4.0
224.17647	3.3
225.16008	6.7
226.16330	5.7
273.09763	5.4
334.23331	3.5
347.13452	41.1
348.13318	2.5
434.32108	4.2
435.32022	2.6
450.37613	1.9
452.33200	100.0
453.16080	17.7
453.33502	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08738	0.6
55.01756	2.3
57.03324	6.0
59.00954	1.1
59.01252	22.6
67.01742	0.9
69.03313	1.7
69.65626	0.7
71.01256	29.2
72.99187	8.7
73.02826	5.3
75.00747	33.0
79.52734	0.7
83.01261	4.4
85.02826	41.0
85.99947	1.2
86.03146	1.6
87.00753	12.4
89.02317	4.0
94.97923	1.4
95.01263	4.0
96.95905	1.4
97.02827	2.4
99.00758	13.1
101.02325	10.7
103.00226	1.0
106.92092	0.7
108.01995	0.7
109.02832	0.8
110.89719	0.7
111.00760	1.1
112.01530	1.1
113.02335	35.4
115.00256	4.1
117.01824	2.0
117.20468	0.7
122.28871	0.8
125.02343	2.9
129.01799	1.5
131.03433	1.0
134.03633	0.8
135.04431	2.4
137.02318	1.5
139.00240	0.8
148.05170	1.9
149.00807	2.7
149.06020	0.7
157.01381	1.4
161.04373	1.2
163.03952	3.9
165.01837	0.9
173.04475	1.0
175.02438	3.5
175.03731	0.8
177.05574	0.7
183.04465	1.8
189.05531	1.2
191.03418	2.3
192.03911	0.8
213.09152	4.8
215.03453	1.3
216.04166	1.8
217.04958	1.6
277.16550	3.9
289.10730	4.0
304.04190	0.8
321.13522	1.5
335.16934	0.9
337.05774	0.8
385.27798	0.7
433.18387	0.8
453.19763	100.0
454.20236	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	453.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.1
65.00207	0.5
67.01765	0.9
68.99702	0.6
69.03331	1.2
71.00645	0.8
71.01256	3.6
72.99194	0.9
73.02825	1.1
79.01778	0.9
81.03311	0.4
83.01254	1.4
84.64165	0.3
85.02815	1.7
87.00774	0.8
95.01263	1.9
96.99176	0.3
97.02837	1.3
99.00760	0.4
101.02325	1.9
107.01269	6.9
109.02837	0.4
110.00048	0.5
111.00787	3.7
113.02341	2.0
115.88690	0.4
117.58748	0.4
123.00055	0.3
123.00771	20.4
124.01571	21.7
125.02344	42.7
126.02699	1.7
127.00287	1.6
136.98697	2.4
137.02367	1.2
137.07620	0.3
138.03127	1.5
139.00264	5.3
139.03918	9.2
140.01067	5.9
141.01878	1.7
151.00281	8.1
151.03908	0.5
152.00716	0.4
153.01875	1.2
154.99783	0.6
163.03932	0.5
165.01913	0.5
167.03387	0.8
168.00577	7.2
169.01343	49.2
170.01640	1.8
179.03511	0.6
183.02936	4.8
193.01393	0.5
211.02473	1.4
223.02554	0.6
225.04080	0.9
241.03575	0.9
253.03564	0.5
254.16614	0.4
271.04727	0.5
285.06198	1.2
295.05359	0.4
297.06143	2.4
313.05655	10.3
314.06107	0.8
327.07336	2.7
372.97217	0.4
453.10385	100.0
454.10718	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	453.104
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56394	0.5
57.03311	0.6
59.01245	1.5
67.01776	1.1
69.03319	1.2
69.37750	4.4
71.01250	2.7
73.02833	0.6
75.00751	0.9
77.87862	0.4
79.01766	1.4
81.03292	0.4
83.01270	1.3
85.02829	1.9
87.00760	0.8
89.02328	0.5
93.91467	0.5
95.01250	2.2
97.02843	1.1
101.02328	1.5
105.34721	0.5
107.01276	7.1
111.00767	3.2
113.02321	1.4
123.00774	15.5
124.01563	17.3
125.02348	29.8
126.02691	0.9
127.00235	0.7
136.98706	1.8
137.02325	1.0
138.03130	1.1
139.00291	4.2
139.03926	5.9
140.01033	3.6
141.01801	1.4
151.00259	3.9
151.03917	0.5
166.99771	0.7
167.64673	0.5
168.00536	4.6
169.01337	23.9
170.01678	1.0
183.02910	2.7
191.69676	0.5
206.20705	0.5
225.03944	0.6
241.03477	0.7
253.03539	0.5
285.06140	1.1
297.06082	1.2
313.05594	7.7
314.06039	0.8
327.07120	1.8
333.09750	0.8
453.10358	100.0
454.10718	11.3
454.16840	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86862	1.3
53.00187	1.5
55.55868	1.2
57.02219	1.1
59.01264	3.4
65.00189	6.0
67.01756	3.4
69.03320	1.7
69.49874	6.1
69.50305	4.2
71.01255	7.1
73.02845	1.4
75.00782	1.3
79.61105	1.2
81.03313	1.4
82.02791	1.2
83.01270	4.6
85.02835	3.6
87.00758	1.2
92.01379	1.1
92.66520	1.1
92.99698	1.6
95.01255	9.1
97.02839	2.4
99.00719	1.2
101.02362	1.8
107.01275	10.0
109.96649	1.2
111.00768	66.0
116.60049	1.2
123.00784	10.8
123.04401	1.2
124.01550	5.1
124.94154	1.2
125.02341	82.7
126.02685	2.9
130.76448	1.2
136.98729	2.6
137.02338	2.0
137.99594	1.5
139.00275	100.0
139.03918	2.4
140.01134	6.7
141.01781	2.7
142.55498	1.3
145.02893	1.3
151.00294	4.2
153.01830	3.4
154.99768	2.5
163.00269	1.3
163.03938	1.7
164.98254	2.0
165.01752	1.8
166.99771	3.6
167.03426	1.4
168.00589	7.1
169.01346	56.1
169.02803	2.7
170.01613	1.7
177.01872	2.3
179.03394	1.5
182.99300	7.3
183.02940	1.1
191.03401	4.1
193.01416	2.4
203.03442	1.2
205.01341	3.4
211.02454	7.0
225.12949	1.3
241.03612	1.7
245.00943	1.6
247.02495	2.6
257.78870	1.1
263.01813	1.4
271.04581	9.5
273.00513	4.3
287.07748	9.6
291.01538	1.4
297.06134	1.7
301.05716	2.0
302.06430	1.6
313.05658	37.2
314.06094	2.8
322.31595	1.5
409.07675	6.5
453.05963	28.1
453.17102	2.4
454.07120	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	452.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.2
69.59856	0.2
70.87399	0.4
70.87789	0.4
78.95776	6.6
83.46964	0.2
128.05499	0.2
140.01085	1.4
152.99442	1.0
184.00404	0.3
196.03761	1.0
214.04810	2.3
228.93866	0.2
237.22203	0.3
255.23259	100.0
256.23578	8.3
393.19635	3.1
403.60651	0.2
452.27856	6.3
453.28110	0.8
456.83124	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2782
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
62.96267	0.3
71.07491	0.2
73.24413	0.2
78.95779	29.9
96.96831	1.2
98.20554	0.5
112.46130	0.2
122.00011	0.9
134.98386	0.2
137.56602	0.2
140.01083	6.3
152.99490	3.3
166.02618	0.3
171.00528	2.1
196.03743	10.2
197.03915	0.2
208.89783	0.2
214.04790	2.1
255.23270	100.0
256.23621	9.0
284.56674	0.2
378.24274	0.3
392.18402	0.6
421.82632	0.2
452.27820	26.4
453.28052	3.0
453.33569	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
65.03826	2.5
78.95764	3.2
81.03351	3.1
83.04901	13.3
91.01743	4.2
91.19075	1.2
96.95925	2.4
107.04887	5.3
109.02841	4.8
135.00761	3.7
135.04425	8.5
145.02789	1.4
146.03610	2.0
150.03104	3.2
151.02792	2.4
151.03909	23.0
153.01857	7.3
165.05530	1.6
271.06149	13.1
272.06546	1.7
281.96213	1.3
304.96762	1.2
306.05115	1.4
317.10568	1.2
391.29666	33.0
392.29846	4.6
421.12643	2.3
433.13010	3.0
451.14804	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	451.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57131	0.7
57.60265	0.7
59.01251	100.0
60.01601	1.1
62.96298	1.5
71.58331	1.2
78.95775	4.8
80.96212	0.8
80.97342	1.4
81.03330	4.7
83.04897	17.1
96.00488	0.9
96.95921	1.2
96.97414	0.8
116.50749	0.8
152.99443	1.1
180.40070	0.8
185.24258	0.7
192.55606	0.7
239.71906	0.8
334.39795	0.8
337.98773	0.9
340.65045	0.8
387.76968	0.9
391.29645	45.4
392.30106	4.8
451.15475	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	451.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02851	0.5
59.01239	1.0
62.91869	0.2
69.68385	0.4
69.68790	1.2
71.01238	0.7
75.00732	1.3
80.04937	0.6
81.03329	10.0
82.03670	0.3
83.04893	27.5
83.34434	0.3
84.05234	0.7
87.00742	0.5
98.19830	0.5
99.00736	0.3
101.02276	0.3
107.06041	1.1
108.04420	1.2
113.02287	0.2
123.00772	0.2
125.07079	2.9
126.05470	0.5
126.29638	0.2
140.01050	0.4
141.01834	5.3
141.02904	0.4
143.08159	1.5
146.38486	0.2
167.10696	0.2
207.14948	3.6
208.13303	0.3
208.15192	0.3
224.17656	4.6
225.16034	11.4
225.17755	0.4
226.16295	0.8
242.18706	1.5
271.11713	0.6
303.07220	1.7
306.21741	0.2
309.21866	0.5
324.26480	1.3
325.26895	0.4
333.22943	3.7
334.23376	0.5
339.27795	0.3
351.24112	0.6
367.27115	1.3
385.28210	0.6
418.94803	0.2
433.31851	5.6
434.32269	0.5
437.18478	0.2
451.32892	100.0
452.33206	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12363	3.1
57.53845	2.9
78.95779	14.5
86.79931	2.9
110.98397	9.9
148.94627	3.1
167.01062	12.0
283.26453	100.0
284.04865	3.0
284.26721	9.5
434.90634	3.3
451.28491	18.5
458.02289	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	451.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95770	19.3
96.92476	1.6
98.20560	3.7
110.98424	11.7
126.75089	1.5
129.63249	1.8
167.01062	11.9
185.02112	2.1
248.06783	1.8
283.26413	100.0
284.26788	9.4
324.29895	1.6
451.28284	16.4
452.28488	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
62.71018	0.4
71.21383	0.9
78.95773	12.6
79.97922	0.4
104.97346	0.5
110.98412	9.0
116.17243	0.4
167.01065	11.2
185.02150	2.4
201.77773	0.4
269.24750	0.6
283.26413	100.0
284.26788	9.3
308.04102	0.4
337.99399	0.4
439.82153	0.4
451.28275	18.7
452.28726	2.8
476.21805	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34148	0.7
57.03324	0.7
57.32187	0.6
59.01250	100.0
60.01572	1.9
71.01254	14.7
71.57101	0.9
72.99170	0.7
73.02814	6.3
75.00732	4.9
83.01277	2.6
85.02830	7.3
87.00751	1.0
89.02335	3.3
91.54639	0.7
95.01277	1.1
97.02822	0.8
98.68365	0.6
99.00761	3.3
101.02317	13.6
113.02314	8.3
114.99203	0.6
125.02354	1.2
141.01826	4.9
143.03398	1.6
159.02914	2.9
161.04462	16.1
167.03461	0.8
192.04695	0.7
229.18109	2.4
255.74153	0.7
271.02533	1.0
272.02698	1.5
273.03134	2.7
283.26376	0.8
287.02002	0.9
288.02438	0.7
289.02606	1.6
303.07336	1.3
316.02374	2.0
317.02646	3.5
318.02753	7.9
319.03287	2.1
331.08157	0.7
391.23315	41.3
392.23532	4.1
451.07953	5.7
451.29214	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	451.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.9
57.03329	1.7
59.01255	100.0
60.01582	2.4
61.98702	2.4
69.03314	1.0
71.01260	25.6
71.59783	0.9
72.99187	3.1
73.02820	7.7
75.00733	4.2
78.32222	0.9
81.03335	3.6
83.01263	4.1
83.24059	1.0
85.02827	15.0
87.00752	2.8
89.02319	13.8
93.03342	9.1
95.01279	2.3
96.95908	16.4
96.96835	1.6
98.02362	1.3
99.00774	3.4
101.02331	19.9
108.02053	2.3
109.02845	6.4
113.02337	13.0
115.00286	1.0
119.03399	6.0
119.04910	1.4
121.02842	2.7
123.00812	2.1
123.04422	8.6
124.01596	1.4
125.02360	9.3
129.41536	0.9
135.04378	1.6
137.02351	14.8
138.03159	7.2
139.03922	1.9
140.01065	0.9
143.03418	1.7
149.02356	1.7
149.04544	1.1
151.00273	2.4
151.04066	1.0
152.01073	2.6
153.01845	2.8
159.02904	2.5
161.02408	1.0
161.04466	14.4
165.01880	1.6
167.03423	1.4
169.01349	8.5
170.02145	1.4
179.03343	1.5
179.05542	2.9
196.09810	0.8
243.06607	1.5
245.08168	7.2
246.08325	0.9
259.06027	1.4
271.05981	4.8
275.01981	2.1
289.07242	10.9
290.07547	1.4
291.48517	1.1
313.05734	9.5
315.06985	1.2
319.21286	2.8
391.23431	24.9
392.23682	2.0
407.09888	2.9
424.27820	1.0
451.12283	11.7
451.18326	10.1
451.29315	1.8
452.12668	1.2
458.53464	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01450	0.5
51.52219	0.5
55.01758	0.8
57.03319	0.6
59.01250	100.0
60.01578	0.9
62.34286	0.5
65.08192	0.5
69.33178	0.5
69.47348	3.8
71.01250	12.4
72.99192	0.8
73.02824	3.0
75.00733	0.8
83.01278	1.7
85.02821	5.6
87.00774	1.1
89.02316	7.8
95.01281	0.8
95.54124	0.5
99.00795	1.1
101.02319	11.5
104.50633	0.5
111.00829	0.5
113.02336	6.6
119.03380	3.9
125.02358	2.2
129.01909	0.7
136.03319	0.5
137.02376	2.3
143.03383	0.8
159.02956	1.1
161.04475	7.3
169.01331	1.2
174.98462	0.5
179.05554	1.4
209.81975	0.6
229.18091	0.8
272.34772	0.5
299.02115	1.0
313.05811	1.6
391.23367	38.9
392.23718	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	451.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.8
57.03332	1.1
58.00484	0.4
59.01253	100.0
59.97894	0.3
60.01584	0.9
61.98711	2.5
62.46635	0.3
69.03330	0.4
69.62125	1.1
69.62537	1.0
71.01257	14.1
72.99191	0.9
73.02821	4.1
75.00747	4.7
81.54561	0.3
83.01264	2.9
85.02828	7.5
86.03146	0.3
87.00751	1.3
89.02311	3.0
93.03357	0.6
95.01260	1.0
97.02856	0.5
97.06512	0.3
99.00755	1.8
101.02327	9.9
108.04467	0.3
108.89708	0.3
109.02835	1.4
111.00781	0.9
113.02339	5.8
115.07597	0.3
119.03407	1.0
121.02863	0.9
122.06016	0.4
123.00762	0.4
123.04431	1.1
124.01534	0.5
124.07604	0.5
125.02367	2.2
129.01791	0.7
135.04382	0.5
136.07599	0.9
137.02341	2.6
138.05505	0.5
143.03419	0.7
148.01501	0.4
149.02365	1.1
149.99469	0.8
150.03078	0.3
151.03937	0.6
153.01868	0.6
159.03012	1.4
161.02359	0.8
161.04485	6.2
163.54494	0.3
165.01862	0.7
165.05397	0.3
167.03418	5.9
167.04723	0.6
168.00586	1.9
168.03754	0.4
168.06587	0.6
169.01424	0.6
179.03416	0.7
205.03497	0.4
242.67682	0.3
271.05954	0.7
275.80719	0.3
289.07199	2.9
290.07843	0.4
303.13437	0.5
319.21194	1.5
331.06946	0.4
391.23383	46.6
392.23721	4.8
435.22647	0.5
451.12323	2.1
451.17621	3.2
451.29559	3.1
452.12717	0.4
452.18307	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06353	0.3
52.03820	0.3
59.01253	0.4
59.41651	0.3
60.71887	0.4
70.84140	0.5
70.84482	0.6
75.02696	0.3
78.95780	53.0
81.42294	0.3
82.30384	0.3
96.95890	1.4
96.96841	5.3
99.92443	0.4
100.73812	0.3
119.23267	0.3
125.05959	0.4
143.81798	0.3
150.97926	1.9
152.99493	100.0
153.99838	2.2
171.00571	4.1
176.98398	0.3
183.13742	0.4
211.09105	0.3
297.24402	0.4
331.15494	2.2
412.55713	0.3
417.09042	0.4
451.24655	10.5
452.24951	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.6
57.03312	0.7
58.00489	0.5
59.01251	100.0
60.01578	0.9
68.45363	0.3
69.24128	1.3
69.24551	3.3
71.01254	15.0
72.99186	1.0
73.02820	3.8
75.00732	0.6
83.01266	1.9
85.02823	5.5
87.00761	0.6
89.02320	9.6
89.89513	0.4
93.03321	0.5
95.01270	1.2
99.00751	1.7
101.02322	13.2
101.02991	0.7
111.00796	0.5
113.02338	7.0
115.22998	0.3
119.03395	4.1
125.02327	1.0
129.01903	0.4
131.03323	0.5
132.66566	0.4
137.02370	1.3
143.03438	1.1
143.97250	0.4
159.02948	1.1
161.02425	0.4
161.04482	7.6
169.01413	1.0
179.05539	1.4
224.58353	0.3
229.18146	1.0
274.13904	0.4
289.07266	0.8
299.02072	1.2
313.05728	1.0
353.49783	0.4
388.14227	0.4
391.23380	37.5
392.23743	3.8
435.34103	0.5
451.21530	0.5
451.29068	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	9.0
57.03318	6.0
57.18545	1.1
57.18833	1.1
58.00471	2.3
59.01250	50.3
63.52647	1.2
64.82025	1.0
69.03319	3.6
71.01255	76.7
71.59339	2.2
72.99182	3.8
73.02820	42.3
75.00750	2.5
76.45074	1.1
81.03335	2.7
83.01257	18.4
85.02824	44.8
85.99965	3.5
87.00757	6.7
89.02319	16.0
94.57542	1.2
95.01276	4.5
97.02818	4.6
99.00757	20.0
100.62097	1.3
101.02322	86.3
102.02666	1.7
111.00766	3.3
113.02325	31.7
115.03918	3.4
125.02309	9.2
129.01794	1.3
131.03392	4.5
137.02359	2.0
138.03043	1.4
143.03384	4.4
149.04445	4.7
151.07513	1.6
155.14319	2.2
159.02902	9.8
161.04465	37.8
163.00333	1.6
190.02740	1.5
191.07126	1.9
195.06561	2.2
205.03455	1.9
219.06546	2.8
227.16255	1.7
233.06612	6.3
270.73511	1.3
289.10901	2.3
289.14243	2.3
293.08810	1.2
316.58676	1.3
319.21237	99.2
320.21524	7.8
363.20276	2.1
382.12503	4.9
451.25458	100.0
452.25900	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	451.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	8.5
57.03328	6.4
58.00464	2.7
59.01252	43.7
69.03321	1.5
70.65364	2.7
71.01255	76.6
72.01586	1.0
72.99169	3.9
73.02821	39.7
75.00734	2.9
79.96364	1.1
81.03338	1.1
83.01258	19.4
85.02824	42.3
85.99963	3.4
87.00748	5.6
89.02324	17.9
95.01274	5.4
97.02839	4.5
98.94160	0.9
99.00757	19.2
101.02324	80.9
102.02639	1.7
111.00758	3.0
113.02334	28.6
115.03851	2.9
125.02352	7.8
129.01846	2.9
131.03401	4.6
137.02419	1.5
143.03397	3.6
149.04510	2.0
155.14333	2.4
159.02930	5.6
161.04460	28.1
182.47917	1.1
191.05515	1.3
205.03458	1.9
215.05389	1.1
218.01024	1.1
233.06616	5.2
293.08972	1.7
319.21246	100.0
320.21637	7.3
363.20209	2.3
451.25485	89.0
452.25864	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	451.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47564	1.7
59.01237	5.2
69.79777	2.0
78.95772	13.6
89.57418	1.9
91.44411	1.9
95.04898	6.6
96.95910	2.3
98.20380	10.7
121.10107	6.3
149.09601	2.8
152.99484	8.0
174.99246	3.5
182.50500	2.3
196.03734	3.7
198.83992	2.0
203.88181	1.9
225.43272	2.3
229.25851	2.6
253.21806	12.2
254.22040	19.5
265.03857	5.9
269.07083	13.1
321.10315	2.8
324.11160	2.0
354.09851	5.0
391.18033	100.0
392.18436	11.8
451.26398	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	451.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.5
57.03334	3.4
59.01252	100.0
69.28146	1.5
69.28483	15.6
71.01259	27.5
73.02806	10.1
81.03330	3.3
83.01267	7.8
85.02833	8.6
88.87251	1.3
89.02322	10.0
93.03336	23.4
95.01279	4.0
97.02829	1.6
98.20512	2.7
99.00755	11.8
101.02324	20.0
109.02833	3.7
111.00775	2.6
113.02317	11.8
119.03397	6.1
119.04920	2.3
121.02872	2.1
123.00752	4.8
123.04372	9.4
123.91589	1.3
125.02332	26.4
135.04433	2.0
137.02342	60.5
138.02763	1.9
139.00275	6.1
139.03931	3.2
140.01079	7.4
141.01836	30.2
143.03387	3.0
149.02338	2.9
151.00299	4.3
151.03908	2.3
153.01849	4.4
155.03462	1.6
161.02348	1.6
161.04427	7.9
164.01074	1.6
165.01866	10.2
165.05434	3.0
165.99016	2.1
166.37146	1.4
167.03418	25.1
168.00595	6.0
169.01349	11.6
179.03441	6.4
179.05563	1.6
181.01398	2.2
182.02100	16.8
183.02925	25.6
187.13300	4.2
195.02959	2.9
207.02855	2.0
209.04680	1.5
245.07948	1.7
271.06134	5.7
288.06360	11.5
289.07150	53.9
290.07550	4.5
303.07227	4.0
313.06805	2.0
331.17697	7.2
348.62747	1.3
349.18658	21.1
360.13123	1.4
391.19922	7.4
451.08078	5.4
451.12564	11.5
451.22092	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	451.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.1
65.28548	0.4
71.01245	1.1
71.59402	0.6
73.02837	0.5
78.95774	1.1
80.54115	0.4
81.03293	0.4
83.01266	1.4
85.02801	0.5
92.74291	0.4
93.06963	2.0
95.01260	0.5
96.95882	1.6
97.02839	0.5
97.06499	0.4
99.08032	1.6
101.05984	1.0
106.04135	0.5
108.02009	1.1
109.02818	0.6
113.02293	0.5
121.02783	0.5
121.06498	3.3
123.08044	1.7
125.02371	0.6
125.05978	17.1
126.06297	0.7
127.44686	0.4
137.02379	0.5
137.09604	0.5
145.06499	0.7
147.08029	0.4
149.09598	0.6
152.97737	0.4
152.99475	0.7
159.08005	0.7
159.89207	0.4
161.06131	0.5
161.09663	2.2
163.07626	0.9
164.08290	0.5
165.09193	2.6
173.05927	0.8
174.01654	0.6
175.11200	1.5
176.08376	0.4
177.09183	2.8
180.44136	0.4
181.08640	2.0
185.09721	0.6
187.07574	0.8
190.09795	0.6
191.10759	0.5
201.09189	0.6
203.07092	1.2
203.10699	1.1
203.14339	1.8
205.05025	0.6
205.08640	5.5
206.09308	0.7
207.06541	1.1
209.08145	3.2
213.09137	0.7
215.10684	0.8
217.05063	0.5
217.08669	1.1
218.09309	0.5
219.06424	0.4
219.10185	1.5
222.08784	0.7
226.29794	0.5
229.08707	0.5
233.08157	1.0
234.08781	0.8
235.09750	1.4
243.10196	1.3
243.13922	0.8
245.08235	1.0
245.15462	1.9
247.09775	2.8
247.13394	0.6
248.10461	0.5
249.14851	0.6
257.15536	0.7
259.16934	2.0
269.15448	0.7
273.11511	0.9
275.16489	0.8
285.15140	1.1
287.16437	2.0
289.14444	13.1
290.14798	1.1
301.14468	3.7
303.16000	11.6
304.16324	1.1
313.14545	0.9
315.16129	0.7
331.15497	100.0
332.15836	9.6
343.15454	2.3
347.72000	0.5
361.16547	24.6
362.16785	2.2
373.16431	1.0
391.17471	0.7
403.74329	0.5
433.18570	1.5
451.19666	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	451.1246
Annotation	Curculigoside B
Peak:m/z	Relative Intensity
54.01098	0.9
59.01252	11.5
65.00178	0.8
71.01253	4.9
71.58807	1.4
73.02827	0.9
75.00741	1.0
79.05418	0.8
81.03330	24.7
85.02849	3.3
87.00778	1.2
89.02345	2.9
90.02725	0.9
93.03326	2.3
95.04967	1.0
97.57481	0.8
99.00751	1.3
101.02347	3.0
107.01295	2.4
109.02854	5.2
111.00794	1.5
113.02354	2.8
121.02843	5.5
122.03670	3.0
123.00811	1.4
123.04410	100.0
124.04781	3.6
125.02340	6.2
129.01874	1.2
135.04506	1.7
137.02388	5.9
137.06007	2.4
147.04460	0.9
149.02356	10.1
149.04697	1.0
151.00337	1.4
154.02577	1.0
159.04448	2.8
161.02412	2.7
161.06013	1.6
165.01837	1.9
167.03403	14.5
167.04707	1.3
169.01340	5.7
176.85080	0.9
185.05843	0.9
201.05580	3.9
203.07141	1.3
205.05049	1.1
216.04271	0.9
243.06677	3.4
245.08127	13.6
256.03479	0.9
263.57166	0.9
271.06143	20.6
272.06708	1.4
289.07175	89.4
290.07626	5.6
292.54596	0.8
313.05835	2.9
432.81403	0.9
451.12665	29.7
451.18127	2.5
452.12994	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	451.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84269	1.1
59.01241	2.7
64.54116	1.0
69.83268	1.9
69.83689	5.5
71.01267	1.6
78.95781	25.0
80.96218	3.8
96.95925	1.6
96.96841	2.7
98.20458	1.5
152.99509	32.6
153.99852	7.4
154.99928	10.6
171.00604	1.5
171.10149	1.4
174.99181	4.0
177.09242	1.7
178.19260	1.3
190.09966	1.7
205.12250	2.2
206.43701	1.1
220.14665	11.1
221.15466	8.4
236.10478	4.0
239.14551	1.1
280.06281	2.0
321.10358	2.4
334.07346	100.0
335.07825	9.9
337.13303	8.3
351.11316	6.0
381.11902	1.5
391.14438	11.6
392.14490	1.6
451.23694	4.3
466.35684	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.7
59.01252	11.6
64.76405	0.8
68.99674	0.9
69.03324	1.6
69.43641	6.7
71.01258	10.2
72.49913	0.7
72.99187	4.2
73.02811	2.9
75.00749	12.5
81.03320	0.8
83.01263	1.3
85.02823	14.5
85.06451	2.4
85.36717	0.8
87.00764	5.2
87.01240	1.1
89.02301	2.9
93.03304	1.1
95.01250	2.8
97.06458	2.6
98.19739	0.9
99.00732	6.6
99.08083	1.0
103.14057	0.8
108.81418	0.7
109.02807	1.2
109.06473	2.9
113.02331	11.1
115.00284	1.7
116.14127	0.9
117.01830	1.6
120.82098	0.7
121.02956	0.8
125.02307	1.3
129.01863	1.6
137.09575	1.7
139.11179	34.7
140.11525	1.7
157.01346	2.4
165.93855	0.8
167.03398	2.2
175.02364	2.3
183.10255	1.1
185.97777	0.8
201.11258	54.5
202.11629	2.5
231.04953	1.5
249.06128	13.4
273.03030	0.9
275.14993	13.0
289.07132	1.0
302.03473	1.1
304.03836	1.4
389.18240	2.6
421.56699	0.9
433.16946	3.3
451.18185	100.0
452.18533	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1248
Annotation	6'-O-Galloylsalidroside
Peak:m/z	Relative Intensity
58.27689	0.6
59.01254	5.1
63.54302	0.7
63.98595	0.6
69.03327	0.8
69.49716	2.4
69.50143	3.3
71.01261	5.6
72.99175	1.1
73.02818	1.6
78.78204	0.6
79.01779	1.0
81.03331	0.8
83.01277	1.0
85.02820	3.2
87.00759	1.1
87.04384	1.0
89.02330	1.9
93.03329	6.2
93.03727	0.5
95.01247	1.7
97.02815	1.2
98.20510	1.4
101.02341	3.0
102.58595	0.6
104.88715	0.6
107.01261	6.5
107.04927	0.8
109.02838	2.9
111.00761	2.9
111.04389	0.6
113.02331	3.4
119.03401	0.8
119.04922	2.1
123.00772	15.1
123.04421	1.4
124.01618	0.8
125.02338	41.6
126.02673	0.8
127.00301	0.7
135.04434	1.4
136.98743	0.7
137.02350	11.9
137.03310	0.9
137.05986	22.3
137.80023	0.7
138.03230	1.0
138.06316	0.7
139.00293	3.7
139.03928	1.5
140.01041	3.3
141.01825	2.8
149.02344	1.5
151.00279	11.5
151.03951	1.0
153.01857	0.8
154.76028	0.6
161.02332	1.0
165.01761	0.8
168.00549	3.5
169.01340	58.7
170.01782	1.5
201.11359	0.9
211.02420	1.3
230.41736	0.6
241.03441	1.0
245.08156	0.9
249.06242	1.4
259.06015	0.9
271.06143	1.0
289.07254	3.4
299.07767	1.1
313.05643	22.3
314.05923	1.8
343.95294	0.6
407.09613	0.7
451.12552	100.0
452.12875	11.1
452.18790	0.6
452.87979	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1037
Annotation	Epigallocatechin 3-O-p-coumarate
Peak:m/z	Relative Intensity
55.50912	0.4
56.69602	0.4
57.41696	0.4
59.01259	1.9
62.20879	0.4
69.96568	0.4
71.01263	0.9
79.00936	0.4
79.05359	0.4
83.57153	0.4
84.55732	0.4
85.02800	0.5
93.03328	0.6
95.04922	1.5
98.68090	0.4
103.05412	0.7
108.02052	0.7
109.02842	23.6
110.03204	0.5
110.80562	0.4
113.02357	0.5
117.03358	1.2
119.04926	1.2
121.02834	0.9
122.03645	0.5
123.04416	12.7
125.02320	0.8
133.02856	4.2
135.04434	1.3
137.02348	1.5
145.02875	1.7
146.03636	0.5
147.04430	4.2
148.50099	0.4
149.02377	1.5
150.03154	1.2
151.03917	6.1
154.53609	0.4
159.04408	1.3
161.02370	7.2
161.05988	0.5
162.03145	1.0
163.03951	0.7
175.03972	0.8
176.01088	0.9
177.01869	23.0
178.02234	1.0
179.03455	0.7
187.03908	1.2
189.01872	50.7
190.02621	11.6
191.03448	11.7
201.01967	0.5
203.03473	6.7
216.00587	8.1
217.01381	33.5
218.02068	2.6
219.02931	12.5
220.03339	1.0
227.06993	0.5
231.02975	10.4
232.03615	0.9
233.04532	1.3
242.95453	0.4
245.08574	0.5
281.04498	0.5
285.12448	1.0
289.07205	2.5
299.05368	0.6
323.05594	1.3
341.06665	100.0
342.06979	10.4
357.06259	0.6
424.46539	0.5
448.70975	0.5
451.03995	0.9
451.10318	15.3
452.10736	2.2
452.17728	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30804	0.6
59.01258	6.0
59.68322	0.5
61.98687	0.5
69.59508	3.3
71.01268	2.8
72.99189	0.6
78.91763	7.8
82.96706	0.4
83.01254	0.7
83.13490	0.4
85.02829	2.7
89.02318	1.0
89.03880	0.5
91.82898	0.4
94.24843	0.5
95.04906	0.6
95.63770	0.5
96.95837	0.6
98.20596	0.8
101.02322	1.8
107.96247	0.4
108.02037	1.0
109.02842	27.5
110.03198	0.9
110.45960	0.5
113.02351	1.4
116.03263	0.5
117.03355	0.7
119.03429	0.7
119.04883	0.8
121.02876	1.2
122.03609	0.7
123.04416	11.2
125.02354	1.0
133.02875	5.9
134.03624	1.0
134.82281	0.4
135.04388	1.1
137.02315	1.5
145.02853	1.1
147.04462	2.7
148.01588	0.6
149.02390	1.4
150.03207	0.7
151.03920	6.3
152.79422	0.5
159.04431	1.8
161.02361	8.5
161.04439	1.0
162.03088	2.2
163.03873	1.8
165.01701	0.5
175.03902	0.8
176.01102	1.0
177.01860	24.0
178.02184	1.5
179.03415	0.6
187.03938	3.7
188.04663	1.7
189.01871	29.9
189.05432	1.2
190.02617	9.7
191.03413	5.0
203.03477	2.3
203.07065	0.8
209.08186	1.4
216.00586	7.1
217.01366	17.9
218.01936	2.3
219.02914	7.7
222.01651	1.4
227.07092	1.5
229.08589	1.9
231.02953	5.0
232.03612	0.8
233.04498	1.0
245.08179	1.1
253.04968	0.6
265.04929	0.8
269.08307	0.7
279.06799	0.7
281.04553	8.7
282.05139	1.1
289.07025	2.2
297.07678	5.3
299.05643	2.0
323.05603	0.8
341.06656	100.0
342.06946	7.5
393.95819	0.5
451.10260	10.9
451.20557	0.7
451.29071	1.2
452.10748	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77525	0.6
59.01253	1.4
63.56899	0.6
71.57944	1.0
78.95780	22.8
83.04903	0.7
90.07173	0.6
94.42156	0.6
116.92756	1.1
122.00056	0.9
134.98470	0.7
140.01083	4.7
152.99501	3.9
196.03734	11.3
199.14587	0.6
214.04837	2.4
252.05688	0.8
253.21707	100.0
254.22081	7.8
255.89584	0.6
391.19519	1.2
395.64771	0.8
450.26193	20.2
451.26666	1.8
458.19995	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77615	0.5
59.01250	13.2
60.28917	0.5
61.21606	0.4
67.01749	0.6
69.03307	0.8
69.26720	0.5
70.89819	0.4
71.01254	8.4
71.01619	0.8
71.57249	0.8
72.99187	0.8
73.02811	1.4
81.03318	0.7
83.01247	1.2
85.02827	2.1
87.00765	0.6
89.02313	2.0
93.03335	61.2
94.03671	2.4
95.01272	2.0
97.02824	1.6
99.00732	0.9
101.02332	4.0
107.01279	8.5
107.04906	0.7
109.02854	0.8
111.00759	1.4
113.02341	2.3
119.03435	0.5
123.00766	10.0
123.04378	0.5
124.01583	0.9
125.02335	50.6
126.02721	1.2
135.04416	0.8
137.02342	100.0
138.02669	3.6
139.00266	2.7
140.01065	2.7
141.01822	1.4
151.00264	6.8
151.03905	0.6
153.01845	0.6
161.04485	0.9
167.03416	1.2
168.00575	3.4
169.01335	66.5
170.01674	1.9
178.99742	0.5
179.03418	0.8
211.02480	2.9
216.37093	0.6
223.02386	0.8
241.03516	2.0
253.03615	0.8
271.04703	1.5
288.02731	1.1
289.03839	0.5
289.07007	1.1
299.02130	0.5
299.07706	6.0
300.08304	0.6
313.05655	71.5
314.06039	4.6
407.09805	11.1
408.10138	1.4
451.08786	35.0
451.29285	1.3
452.08932	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2755
Annotation	Eurystatin D
Peak:m/z	Relative Intensity
53.43925	0.5
55.01760	1.2
57.03301	1.6
58.00468	1.2
59.01251	28.2
60.01575	0.9
61.98697	1.2
71.01251	13.8
71.58444	0.6
71.58907	1.1
72.99190	1.3
73.02822	4.5
75.00754	1.6
81.19627	0.5
82.04577	0.5
83.01256	4.0
85.02827	8.3
87.00757	2.6
89.02319	2.6
93.03349	0.9
95.01265	1.0
99.00762	2.1
99.08017	0.7
101.02328	9.2
111.04393	0.6
113.02326	3.9
119.03367	1.2
124.07555	2.2
125.02314	1.2
129.01830	0.7
133.02788	0.7
134.03601	0.8
141.12709	0.9
142.55370	0.5
161.02425	0.8
161.04529	1.0
169.56046	0.5
211.13284	1.1
212.13667	0.7
213.13838	0.6
227.07068	0.6
241.21407	0.6
269.21255	1.8
275.09406	0.8
287.14014	7.7
287.22275	27.9
288.14511	0.6
288.22726	2.6
317.11191	0.7
317.19736	1.6
329.15048	1.5
336.75339	0.6
389.21890	0.7
431.26416	4.5
449.27603	100.0
450.27890	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	449.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43925	0.5
55.01760	1.2
57.03301	1.6
58.00468	1.2
59.01251	28.2
60.01575	0.9
61.98697	1.2
71.01251	13.8
71.58444	0.6
71.58907	1.1
72.99190	1.3
73.02822	4.5
75.00754	1.6
81.19627	0.5
82.04577	0.5
83.01256	4.0
85.02827	8.3
87.00757	2.6
89.02319	2.6
93.03349	0.9
95.01265	1.0
99.00762	2.1
99.08017	0.7
101.02328	9.2
111.04393	0.6
113.02326	3.9
119.03367	1.2
124.07555	2.2
125.02314	1.2
129.01830	0.7
133.02788	0.7
134.03601	0.8
141.12709	0.9
142.55370	0.5
161.02425	0.8
161.04529	1.0
169.56046	0.5
211.13284	1.1
212.13667	0.7
213.13838	0.6
227.07068	0.6
241.21407	0.6
269.21255	1.8
275.09406	0.8
287.14014	7.7
287.22275	27.9
288.14511	0.6
288.22726	2.6
317.11191	0.7
317.19736	1.6
329.15048	1.5
336.75339	0.6
389.21890	0.7
431.26416	4.5
449.27603	100.0
450.27890	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	449.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12862	0.3
57.03319	0.6
59.01249	100.0
59.05188	0.3
60.01582	0.8
62.66120	0.3
64.39236	0.3
65.19655	0.3
68.04202	0.3
70.88146	0.4
70.88492	0.7
71.01252	7.3
71.01609	0.5
71.04904	0.8
73.02822	2.2
75.25887	0.4
83.01263	1.1
85.02828	2.9
85.46530	0.4
87.00773	0.5
89.02301	2.5
95.01305	0.4
99.00763	0.8
101.02322	4.4
109.02881	0.5
111.00764	0.5
113.02331	3.7
119.03397	0.9
122.04359	0.3
123.00826	0.4
125.02356	2.4
135.04404	2.2
137.09660	0.4
139.00299	0.4
139.07550	0.6
143.03424	0.6
149.02357	0.7
151.00298	1.1
151.04016	0.5
153.09109	0.6
155.10674	2.5
159.02948	1.2
161.04453	7.3
161.05643	0.5
162.04796	0.3
163.00282	0.4
167.03450	0.6
168.00583	0.3
169.01283	1.8
179.05553	0.7
181.16209	0.4
193.05025	0.3
197.60876	0.3
227.16461	6.0
259.06146	0.8
268.86539	0.4
269.04593	0.7
287.05634	2.1
313.05817	1.1
376.69205	0.4
389.21863	7.1
390.22281	0.9
429.89697	0.5
433.21121	0.5
449.10846	2.7
451.28372	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.5
57.03328	1.9
58.00479	0.3
59.01253	100.0
60.01576	1.4
60.19362	0.2
61.01677	0.3
65.00207	0.6
69.03313	0.3
71.01252	9.9
71.04905	0.9
71.59425	0.4
72.99205	0.5
73.02818	2.7
75.00770	0.5
81.03342	0.9
83.01260	2.4
85.02830	5.5
87.00775	0.7
87.41669	0.3
87.84547	0.2
89.02319	3.4
93.03350	0.5
95.01299	0.9
97.02843	0.5
99.00773	0.9
101.02329	6.1
103.89386	0.3
107.01270	0.5
107.04890	0.4
109.02859	0.7
111.00801	0.5
113.02332	4.7
117.03343	0.4
119.03408	1.2
121.02851	0.9
122.03664	0.3
123.00771	0.4
123.04429	0.7
124.01569	0.5
125.02342	12.8
126.02705	0.5
126.24225	0.3
130.40736	0.3
135.04410	2.0
137.02376	0.4
137.09563	0.3
139.03999	0.3
139.07561	0.6
143.03456	0.8
149.02328	2.0
151.00285	3.1
152.00999	0.6
153.01830	1.4
153.09132	0.6
155.10706	3.4
159.02934	1.3
159.04272	0.3
160.81888	0.3
161.04480	7.5
162.04900	0.4
165.01895	0.9
165.05550	0.5
167.03416	0.7
169.01328	0.4
173.06039	0.9
177.01758	0.4
177.05576	0.3
178.99783	1.9
179.03455	0.8
179.05534	0.4
193.01389	1.6
205.03482	0.4
210.09268	0.3
215.07164	0.7
225.05573	0.6
227.16478	6.6
228.16866	0.6
241.05153	0.4
243.06749	1.0
259.06104	9.1
260.06525	0.9
269.04572	8.2
270.04898	0.7
283.06195	0.3
287.05627	6.2
287.08749	0.3
288.05933	0.8
310.47998	0.3
329.06656	2.0
330.07043	0.4
359.07892	0.6
389.21887	6.0
389.26709	0.5
390.22269	0.9
433.20956	0.4
449.11014	5.2
449.24780	0.4
450.11429	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.5
55.41500	0.4
57.03315	1.8
58.00462	0.5
59.01253	35.2
66.42876	0.4
69.03281	0.5
70.73093	1.2
71.01255	9.4
72.55077	0.4
72.99191	0.9
73.02812	2.8
74.22435	0.4
75.00744	1.8
83.01268	1.3
85.02835	4.9
87.00755	2.0
88.03903	0.5
89.02322	6.1
92.61152	0.5
93.03335	0.6
95.01259	0.8
99.00774	1.4
101.02324	8.0
109.02816	2.0
113.02332	5.5
117.03365	1.0
119.03381	1.8
119.04961	0.8
121.02847	0.9
123.00806	0.8
123.04449	0.4
124.01530	0.5
125.02348	7.1
129.01855	0.5
133.02818	0.4
134.03558	0.7
135.04446	3.3
137.02359	1.3
141.01772	0.6
143.03453	0.6
145.02849	0.8
149.02322	0.6
150.03131	1.6
151.00273	0.5
152.01166	0.4
152.03114	0.4
161.02364	1.8
161.04465	3.5
165.01904	0.6
165.05489	1.2
168.50618	0.4
173.04422	0.5
176.04834	0.4
177.01799	0.5
177.12845	0.5
179.05597	1.2
183.04340	0.4
183.13841	13.8
184.14157	0.8
191.05583	0.8
195.13844	11.6
211.13322	0.8
212.13768	0.8
213.14911	100.0
214.15237	7.4
217.04990	0.6
227.16508	0.7
241.04936	0.5
243.03046	0.5
243.06174	0.4
245.17714	0.5
249.06198	0.5
253.09262	18.9
254.09641	1.3
257.04547	0.6
257.08325	0.9
269.04651	0.6
272.07169	0.8
285.04022	2.0
287.05869	0.8
287.09198	5.3
288.09717	0.8
303.05130	0.7
389.21823	1.8
407.22769	1.1
449.08582	1.0
449.14191	1.2
449.23621	4.6
450.24847	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71692	0.6
57.03331	1.8
58.00449	0.6
59.01254	100.0
60.01599	1.1
66.43916	0.5
67.39026	0.6
71.01263	12.2
71.01660	0.7
72.99198	0.7
73.02836	3.5
75.00751	1.2
83.01283	2.2
85.02831	7.4
85.94592	0.5
87.00766	1.7
89.02322	5.4
95.01300	1.0
99.00787	2.0
101.02331	8.6
109.02869	0.9
113.02350	4.7
119.03401	2.2
119.04913	1.3
125.02381	1.5
135.04451	2.1
139.00258	0.5
141.01863	1.2
143.03374	0.7
145.02930	0.8
151.00275	1.3
153.01868	0.6
156.31551	0.7
159.03003	0.9
161.04478	6.6
167.03416	0.9
177.01872	0.9
179.05574	1.3
193.01350	1.1
209.01001	0.5
227.16547	1.0
250.16846	0.7
271.02795	0.8
287.02124	1.3
287.05630	2.2
287.09259	0.7
329.06796	3.7
389.16809	1.3
389.21841	23.5
390.22174	2.7
405.21448	0.8
449.10745	2.5
449.24042	1.0
449.31482	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2394
Annotation	Vanoxerine
Peak:m/z	Relative Intensity
55.01752	5.8
57.03323	6.8
58.00463	2.1
58.54367	0.9
59.01253	59.6
61.98689	3.9
67.01745	1.1
69.03326	5.9
70.94230	2.8
71.01254	79.3
72.01559	1.3
72.99177	4.9
73.02824	36.2
73.03230	1.7
75.00734	2.3
81.03349	1.5
83.01260	16.1
84.02042	1.2
85.02825	39.2
85.99979	2.6
87.00761	5.4
88.03917	2.1
89.02325	16.0
90.27788	0.9
95.01260	5.1
96.95872	1.1
97.02827	6.0
99.00755	15.3
101.02326	75.7
102.02641	2.2
105.03379	1.0
111.00784	2.6
113.02331	26.7
115.03939	2.1
119.03381	3.0
125.02333	14.1
126.02653	1.6
129.01823	2.9
131.03392	6.6
133.02863	3.2
134.03658	4.6
135.04401	2.7
137.02325	1.2
143.03365	4.0
149.04457	3.3
151.00253	2.5
151.61365	1.1
159.02899	5.9
161.04471	28.7
177.01813	1.1
178.02620	3.1
191.05482	2.0
205.03482	2.5
231.10178	1.9
233.06651	5.5
242.05785	1.4
243.06117	1.2
275.09283	6.5
293.08981	1.4
317.19690	100.0
318.20029	8.2
361.18616	2.3
421.58777	1.0
449.13736	3.1
449.23907	88.6
450.24347	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	449.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43941	0.3
57.03325	0.6
58.62528	0.4
59.01253	100.0
60.01586	1.4
61.98696	0.5
69.35605	2.7
69.36017	1.0
71.01255	3.7
72.99229	0.5
73.02821	0.6
75.00767	0.6
80.67020	0.4
81.03341	0.4
83.01251	0.4
85.02827	2.8
87.00742	0.5
89.02315	2.9
93.03351	0.6
95.27780	0.4
98.20003	1.5
99.00766	0.7
101.02316	2.4
107.87519	0.4
109.02847	0.6
113.01656	0.5
113.02316	2.1
119.03432	1.4
125.02311	1.9
128.62904	0.4
133.02924	0.4
134.03609	0.8
135.04469	0.5
143.03406	0.6
149.02328	0.5
161.02351	0.7
161.04539	1.5
168.00620	0.9
169.01373	0.7
173.04518	0.7
179.05539	0.9
183.13872	1.1
195.13908	0.6
211.13394	0.9
212.13661	0.7
213.14928	7.0
214.15355	0.4
253.09372	1.5
257.07962	0.4
275.09283	0.9
287.05777	0.4
287.22394	0.4
311.05560	0.5
324.15485	0.4
389.21973	1.7
449.10037	1.0
449.15601	0.6
449.27951	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.0
58.00458	0.9
59.01251	100.0
60.01602	1.2
63.02265	1.5
71.01250	15.3
71.01617	1.5
71.39716	1.6
73.02794	2.0
75.27863	1.0
83.01268	2.3
85.02821	9.4
86.80754	0.8
87.00777	1.6
89.02325	14.1
93.03316	1.1
95.01248	1.6
99.04439	0.8
101.02326	10.2
107.01275	2.4
109.02833	1.4
113.02329	7.1
119.03409	6.3
119.04101	1.0
125.02297	1.4
135.04413	3.4
137.02370	1.6
143.03342	1.0
147.02924	0.8
151.00262	7.1
153.00734	1.0
153.09152	1.9
155.84264	0.8
161.04489	4.2
169.01311	0.9
177.01842	3.2
179.05545	3.9
191.01959	1.7
194.27199	0.8
209.15517	1.9
257.08051	0.9
269.04800	1.2
269.14130	0.9
284.03110	1.4
285.03940	2.7
286.04019	3.7
287.04681	6.9
345.18283	0.8
359.20764	26.7
360.21130	1.2
389.22079	4.7
449.09970	8.3
450.10620	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.7
57.03329	2.0
58.00476	0.6
59.01253	100.0
60.01587	1.0
65.00198	1.6
69.29852	4.6
71.01257	11.0
72.99173	1.6
73.02823	3.3
75.00761	2.0
83.01247	2.3
85.02829	10.2
87.00762	1.7
87.04426	0.6
89.02325	7.3
93.36868	0.5
95.01273	1.5
98.19807	0.8
99.00760	2.3
101.02323	9.5
107.01275	3.1
108.02084	0.8
109.02193	0.4
109.02838	2.2
111.00806	1.4
112.37041	0.4
113.02322	5.8
116.23911	0.5
119.03452	2.8
119.04935	1.8
121.02863	1.0
123.00830	0.6
125.02331	4.5
129.01854	0.9
131.03432	0.7
134.03642	0.5
135.04419	12.9
136.04744	0.7
137.02382	0.8
139.00296	1.8
143.03397	0.9
151.00279	10.8
152.00566	0.5
153.01871	1.7
154.99776	1.0
156.22719	0.4
159.02992	0.8
161.02342	0.6
161.04492	2.6
165.01920	0.6
165.98932	0.5
166.99806	1.6
169.01308	2.8
176.63031	0.5
177.01875	0.6
177.50142	0.4
179.05563	1.1
181.01358	0.9
191.01947	1.4
191.05571	1.4
197.15402	0.7
241.05208	0.7
243.03004	0.5
247.08208	0.5
249.05939	0.4
271.02621	0.9
285.04077	0.8
286.04541	0.6
287.05652	15.2
287.09277	1.8
288.05984	1.3
313.05792	1.9
359.20746	24.6
360.21191	2.4
389.21643	1.0
407.19305	1.8
449.10886	3.5
450.11166	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.8
58.00478	1.3
59.01254	73.4
62.95095	0.9
71.01249	15.0
73.02847	0.9
85.02835	4.2
87.00734	1.2
89.02321	15.5
98.19776	3.9
99.04414	8.4
101.02324	7.6
109.01059	0.9
113.02351	5.4
119.03399	4.3
128.60471	1.1
135.04439	3.1
149.24213	1.0
151.00336	3.3
153.89064	1.0
165.12811	5.0
177.83368	0.9
197.20872	1.0
207.13855	9.9
209.11787	29.7
225.14929	7.8
227.12976	1.0
230.45596	1.3
251.12756	4.7
269.13940	100.0
270.14267	9.3
285.03897	1.5
286.04089	1.8
287.05438	2.5
331.38562	1.0
333.66995	0.9
389.21991	1.6
449.10190	2.3
449.20297	42.5
450.20602	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	449.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	2.1
71.01241	0.5
78.95778	52.2
82.12890	0.5
89.48991	0.4
96.95885	0.8
96.96838	6.9
114.58374	0.4
116.92746	1.2
117.01776	0.5
117.03362	0.6
150.97952	2.1
152.99493	100.0
153.99834	1.5
161.02368	0.4
171.00569	4.3
281.24985	0.4
295.22742	0.9
449.23065	8.9
450.23392	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25225	0.2
56.37413	0.2
59.01275	0.2
61.37634	0.2
62.96263	0.3
71.34823	0.3
78.95776	72.9
78.99100	0.2
96.96837	6.2
99.58019	0.2
116.92728	0.4
148.27818	0.2
150.97910	2.0
152.99489	100.0
153.99811	1.9
154.99902	0.4
162.18304	0.2
171.00575	2.7
277.21936	0.2
295.22809	0.8
299.57303	0.2
449.23083	16.3
450.23459	2.5
462.36758	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.231
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96284	0.3
68.62280	0.2
68.62711	0.2
69.51978	0.2
70.82323	0.7
78.95776	51.7
93.52191	0.2
96.96838	6.7
150.97913	1.8
152.99489	100.0
153.99826	1.7
171.00555	3.8
171.01892	0.4
295.22742	0.5
328.56668	0.3
366.80020	0.3
449.23087	9.8
450.23175	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.5
57.03310	4.4
58.69476	1.0
59.01254	100.0
60.01583	1.7
61.01675	1.3
63.09995	0.9
68.99664	1.2
69.03328	1.5
69.35073	10.8
71.01254	35.1
72.99185	3.7
73.02816	5.6
75.00746	9.5
83.01266	5.3
85.02364	0.9
85.02827	24.1
87.00741	3.9
89.02322	19.9
93.03336	2.2
95.01265	3.5
98.20562	1.9
99.00782	7.5
101.02335	21.9
107.01346	1.6
111.00784	2.3
113.02330	20.8
114.27191	1.1
117.03333	4.6
119.03400	7.7
119.04882	2.2
120.26254	1.0
124.01573	2.0
125.02343	9.3
129.01805	1.7
130.96893	1.1
133.02888	1.3
133.19131	1.1
135.04370	1.7
137.09586	6.1
143.03398	3.8
143.04991	1.2
149.02371	2.2
149.04456	2.7
151.00232	3.5
153.09094	1.6
155.10678	19.2
159.02925	3.1
161.02315	2.6
161.04474	26.2
165.12689	1.9
167.03352	1.9
178.99704	1.7
179.05536	5.5
191.01840	2.6
193.01367	3.8
193.03281	1.1
199.09712	3.7
201.05524	1.4
205.03566	1.1
207.13777	1.4
209.00873	1.5
209.11751	2.0
215.03323	1.2
217.04990	2.2
227.03456	8.7
227.16507	1.9
228.03743	5.4
229.03903	5.8
245.04430	1.8
249.06062	4.7
255.02917	11.4
256.03336	7.9
257.03540	12.1
267.07193	7.1
269.04556	3.4
269.13919	7.5
271.02402	2.8
273.04059	11.0
273.13394	2.7
284.03226	6.0
285.03714	7.2
286.03845	12.7
287.04889	3.8
287.09180	2.5
299.01871	2.1
316.02072	5.2
317.03058	2.2
317.19598	2.7
389.21817	22.2
390.22083	2.6
449.09714	29.3
449.16556	25.7
449.22232	1.2
449.27957	2.4
450.10352	1.6
450.16971	2.2
454.13449	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	1.1
57.03313	2.5
58.60022	0.9
59.00950	1.2
59.01250	24.8
61.45546	1.1
67.11760	1.0
69.03313	1.8
69.44027	7.0
71.01253	14.3
72.99187	6.2
73.02804	4.4
75.00745	15.0
83.01244	1.7
85.02821	18.7
85.22049	1.0
87.00735	7.3
89.02332	5.6
89.36368	1.3
93.03333	1.1
95.01233	5.1
99.00751	8.8
101.02293	1.4
110.97163	0.9
111.00784	1.7
113.02325	16.3
115.00236	2.3
117.01795	2.7
122.06899	0.9
125.02359	1.2
129.01852	1.8
135.07994	1.4
137.09628	8.8
151.00229	1.8
155.10684	94.2
156.11012	4.7
157.01331	2.1
161.04382	1.2
175.02399	3.1
181.08458	1.1
199.09700	21.0
200.09955	1.3
209.11833	1.2
226.23169	1.3
231.05096	2.0
249.03784	1.6
249.06114	16.0
250.06413	1.4
267.06848	1.1
269.13812	7.6
273.03958	3.0
273.13428	13.9
323.91644	1.1
387.16321	2.6
425.70450	1.1
431.15250	2.4
449.16559	100.0
450.16934	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	449.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	8.7
70.07040	12.2
73.83597	2.4
78.95773	67.8
96.95885	8.9
96.96838	7.3
98.20267	4.5
121.02813	2.2
152.99490	100.0
153.00743	5.2
158.75603	2.2
169.39146	2.3
170.97873	2.0
171.00543	6.4
194.43906	2.1
244.32710	2.8
257.44150	2.5
268.96039	2.3
303.24380	2.4
449.15555	3.5
449.23038	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	449.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79297	0.7
54.54870	0.7
54.77063	0.7
59.01252	21.6
61.80221	0.7
67.01747	0.6
69.38564	7.0
71.01249	6.2
73.02820	2.5
75.00743	0.8
78.95798	0.8
83.01247	1.3
85.02818	2.9
87.43638	0.7
87.92601	0.7
89.02307	1.9
91.05407	2.8
93.03326	2.4
95.01232	0.9
101.02313	5.4
109.02837	14.7
113.02319	3.3
121.02840	13.6
123.00757	1.9
123.04425	2.0
124.01564	1.4
125.02353	2.9
134.03603	1.1
135.04416	48.6
136.01555	1.3
136.04756	2.0
137.02357	1.5
138.03088	1.3
139.03897	2.1
147.04408	2.1
149.02368	2.4
149.05978	0.9
150.03120	20.0
151.00314	0.9
151.03929	5.3
153.01851	1.5
161.04454	2.2
162.03073	1.1
163.03922	3.1
165.05475	12.5
166.05867	0.8
167.03351	2.6
168.00499	1.5
177.05479	1.2
185.11832	0.7
191.03508	0.9
209.08141	1.8
225.05605	2.2
228.07880	1.3
241.08682	4.0
255.06607	1.7
257.04510	2.8
269.08194	5.3
271.06070	1.3
272.06909	12.4
273.07236	1.1
283.06097	1.0
287.09250	100.0
288.09537	7.1
449.14883	7.7
449.27716	2.6
450.14725	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1498
Annotation	Suvorexant
Peak:m/z	Relative Intensity
59.01246	3.7
62.96281	24.9
66.56570	0.5
73.60892	0.5
77.09429	0.5
78.95777	63.1
80.97342	35.1
94.62283	0.5
98.19643	1.0
101.02345	0.8
116.88486	0.5
121.92163	0.6
148.98807	0.8
148.99994	15.9
151.01584	0.6
152.99503	1.8
153.13670	0.6
175.08354	0.6
179.01076	1.9
205.15909	9.2
211.23314	0.5
219.81644	0.6
242.98305	5.7
285.12634	2.1
355.16751	20.3
356.17084	1.5
385.17838	23.5
386.18073	2.1
390.10745	0.6
445.80707	0.7
449.14981	100.0
450.15338	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	449.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64556	0.9
57.03318	4.7
59.01252	29.5
60.17853	0.9
60.27157	0.9
67.01766	1.7
68.99672	1.8
71.01257	18.6
72.09650	0.9
72.99181	6.4
73.02817	5.4
73.59795	1.0
75.00748	14.1
83.01249	2.1
84.02048	1.1
85.02823	19.9
87.00739	8.5
89.02344	6.8
93.03321	0.9
95.01253	4.9
99.00765	9.4
101.02357	1.0
103.00257	2.1
111.00761	2.1
113.02330	16.1
114.42593	1.1
115.00257	3.2
117.01806	2.9
117.27918	0.9
120.51060	0.9
120.67142	0.8
125.02363	1.3
129.01810	1.9
131.03389	1.3
132.24852	0.9
135.08051	2.5
137.09622	8.7
139.00262	1.1
150.25061	1.2
151.00362	2.0
155.10687	96.0
156.11032	5.3
157.01300	1.3
165.05406	1.3
173.05977	1.2
175.02390	2.9
191.05518	1.3
197.98357	1.0
199.09691	16.9
201.05618	1.1
209.11775	1.8
245.04448	1.3
249.06113	16.0
269.13913	3.7
273.04056	5.6
273.13486	12.8
353.62906	1.2
387.16434	3.0
389.21802	2.1
431.15756	2.4
449.16599	100.0
450.16721	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	449.1452
Annotation	Melampyroside
Peak:m/z	Relative Intensity
59.01253	15.8
60.01580	0.6
65.03820	1.4
69.37959	4.3
70.47040	0.5
70.57111	0.6
71.01259	5.5
72.99168	0.5
73.02811	1.6
74.48489	0.5
75.00737	0.6
83.01273	1.3
85.02827	2.1
87.00771	0.6
89.02309	2.0
89.41953	0.5
91.05412	4.0
92.22166	0.5
93.03342	2.7
95.01263	0.8
99.00763	1.0
101.02320	4.3
107.04892	0.7
108.02042	0.9
109.02834	11.7
111.25963	0.5
113.02326	2.3
119.04810	0.6
121.02843	13.4
123.00781	1.7
123.04413	1.3
124.01559	1.5
125.02312	2.4
134.03680	0.6
135.04416	44.3
136.01558	1.6
136.04752	2.2
137.02309	1.0
138.03152	0.9
139.03908	1.9
141.31567	0.6
147.04375	1.7
147.46727	0.6
149.02342	1.7
150.03128	20.1
151.03925	6.8
153.01834	1.8
159.04385	0.6
161.04471	1.5
162.03090	1.0
163.03900	2.1
165.05489	12.7
166.05807	0.7
166.99744	0.7
167.03352	2.7
168.00566	1.5
173.04408	0.7
175.03920	0.9
177.05472	1.1
191.03392	0.6
191.05533	0.6
202.06134	0.5
209.08083	0.7
225.05501	1.9
228.07954	1.0
239.03506	1.0
241.08643	4.9
254.05885	1.2
255.02974	0.9
255.06494	1.9
257.04507	2.1
269.05164	0.7
269.08234	7.4
270.08405	0.7
271.06155	0.8
272.06912	11.8
273.07227	0.8
287.09247	100.0
288.06769	0.9
288.09613	7.2
449.14819	8.2
449.27795	2.6
450.15262	0.9
463.60333	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64747	1.4
51.42414	1.2
59.01251	11.1
71.01241	4.6
71.57729	1.7
73.02836	1.4
78.95765	2.2
82.80360	1.3
89.02319	7.7
91.01770	6.0
93.03320	3.7
95.01253	4.4
99.00757	2.3
101.02299	3.0
105.23724	1.3
108.02049	14.7
109.02847	4.6
113.02283	1.9
119.03315	1.3
120.90691	1.2
121.02853	26.7
133.02846	17.5
134.03633	26.8
135.00781	8.8
135.04422	24.1
145.02855	14.3
146.03633	17.4
147.04387	5.5
148.01559	39.7
149.02357	52.8
149.04439	4.9
149.05986	5.3
152.99431	1.6
153.01830	14.1
161.02348	4.6
161.05948	6.4
163.03952	13.9
164.04710	13.3
165.05473	17.5
169.06490	5.0
179.07030	12.4
180.00563	51.8
181.00919	2.9
181.06548	1.4
183.04486	1.5
185.06070	2.0
196.05275	2.1
197.06024	7.0
199.03938	4.9
201.05467	7.3
208.05292	1.5
211.03838	1.5
213.05528	4.4
215.03387	1.2
224.04767	6.4
225.05478	13.5
226.02676	1.8
227.03471	11.8
237.05632	1.9
241.05049	12.4
242.05608	1.8
251.03430	1.7
253.04988	2.3
255.06615	1.8
269.04550	100.0
270.05276	35.2
271.06073	9.1
283.06055	6.3
285.07672	22.8
286.07855	1.5
377.86014	1.3
419.11316	27.4
420.11765	4.4
431.11337	35.1
432.11771	4.8
449.12411	68.8
450.12830	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	449.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86992	1.9
59.01242	10.0
60.10258	2.0
60.65992	1.9
63.96105	3.5
71.57686	3.1
75.00764	2.8
79.95625	4.6
91.01769	14.2
91.70409	1.8
93.03326	4.8
95.01272	4.2
103.92912	1.8
108.02077	14.7
109.02846	2.7
117.03379	1.9
120.03825	1.9
121.02842	21.9
126.45975	1.8
133.02847	12.6
134.03635	31.3
135.00786	17.3
135.04425	50.1
136.04753	2.7
145.02831	11.1
146.03635	12.2
147.04346	2.6
148.01549	32.4
149.02350	42.0
149.05978	4.4
153.01836	24.1
161.02368	4.8
161.05972	4.5
163.03949	14.9
164.04713	7.6
165.05504	12.1
169.06448	4.4
179.07021	10.7
180.00580	37.5
196.05080	2.9
197.05992	4.8
199.03905	5.9
201.05461	8.3
213.05437	3.9
224.04628	2.9
225.05487	13.5
226.06287	4.0
227.03493	13.6
237.45787	2.0
241.05104	11.3
251.03177	2.4
253.04965	2.6
269.04553	100.0
270.05246	40.6
271.06042	20.2
272.06586	2.1
278.29745	2.1
283.06174	4.3
285.07742	17.9
409.57104	2.3
419.11322	27.1
420.11557	2.6
431.11404	23.8
432.11758	2.8
449.12378	60.9
449.21637	3.0
450.12711	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	449.109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.3
57.03318	2.3
58.46584	0.5
58.75595	0.7
59.01250	44.7
60.01596	0.7
63.02268	2.2
65.00191	10.7
69.49539	3.5
69.49947	1.2
70.83483	0.5
71.01252	10.9
72.99204	1.3
73.02811	2.7
75.00756	3.7
81.03291	0.6
83.01256	7.9
85.02821	10.1
87.00748	1.5
89.02325	6.1
91.88689	0.6
95.01279	1.1
96.00787	1.3
96.08057	3.6
97.01585	4.8
98.02340	0.9
98.05981	1.7
99.00752	1.9
100.03933	1.2
101.02330	6.6
107.00538	1.1
107.01267	19.5
107.17751	0.6
108.01579	0.9
108.04473	1.0
109.01611	0.8
109.02832	3.9
109.05202	1.4
110.05987	1.5
113.02320	7.4
119.03361	3.0
120.08050	2.8
123.04401	0.7
123.06756	0.7
124.07571	37.9
125.02322	8.3
125.07931	0.9
126.05518	1.1
129.01860	1.1
131.03426	1.1
132.02039	0.7
133.02838	1.0
134.03603	1.5
134.06039	0.9
135.04413	78.6
136.04773	2.8
137.02335	1.4
138.03142	0.8
138.05475	1.0
138.67741	0.6
143.03343	1.2
145.02831	0.7
147.02922	0.7
151.00275	100.0
152.00604	3.2
159.02942	1.0
160.01591	1.0
160.07527	1.0
161.02324	2.6
161.04468	7.7
162.05518	1.0
163.06279	0.8
164.01167	0.7
165.01796	2.1
169.01367	3.3
175.03925	0.9
176.07050	0.6
177.01886	2.2
178.04959	0.9
179.05544	1.2
187.07562	1.5
191.01900	1.9
191.05533	1.7
192.06606	0.8
199.03976	1.5
201.01855	0.9
201.05544	1.1
217.05019	1.9
223.04106	0.7
241.04974	1.5
243.15010	6.4
257.08194	2.3
269.04745	0.6
269.07990	1.1
269.14078	0.7
275.09357	1.2
283.15024	0.8
285.04120	1.4
286.04489	1.3
287.05618	77.2
287.14008	70.7
288.05978	6.8
288.14340	5.0
297.09821	0.9
300.02612	0.8
301.15536	3.8
302.03427	1.4
329.15051	6.9
347.10825	0.7
389.21777	5.4
449.10718	19.7
449.19983	1.0
450.11398	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81640	0.9
57.03326	10.2
59.01235	3.6
65.00195	4.2
67.24857	1.0
67.67655	1.0
69.74519	7.2
75.55788	1.1
78.78108	1.1
81.03337	1.5
81.08997	1.3
83.01257	7.8
93.03304	3.1
97.02834	1.7
97.08183	1.3
98.19785	1.6
101.02284	1.2
102.90388	1.4
107.01269	5.3
107.04918	1.1
109.02813	1.5
117.03309	1.4
123.04389	2.2
125.02340	100.0
126.02664	4.0
131.04948	1.3
133.02861	1.5
135.59485	1.2
137.02338	1.7
139.03938	2.1
149.02354	9.4
151.00273	21.5
152.01083	5.3
153.01881	9.0
157.50719	1.2
159.04411	1.4
160.46027	1.2
163.00174	1.9
165.01767	1.7
173.06015	4.1
176.00987	1.5
177.01857	1.5
177.05513	2.8
178.99802	18.3
179.03421	7.1
197.06041	2.0
199.03915	1.6
199.07677	1.8
201.05510	3.7
215.07047	5.9
225.05534	3.3
241.05106	2.5
243.06607	5.9
255.29111	1.3
259.06113	89.6
260.06442	8.5
269.04553	75.8
269.06763	1.6
270.04922	6.2
287.05612	76.7
288.05890	5.6
311.05496	3.9
340.52417	1.2
342.05890	2.4
449.10876	73.6
450.11200	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	449.109
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
55.01752	1.3
57.03318	2.3
58.46584	0.5
58.75595	0.7
59.01250	44.7
60.01596	0.7
63.02268	2.2
65.00191	10.7
69.49539	3.5
69.49947	1.2
70.83483	0.5
71.01252	10.9
72.99204	1.3
73.02811	2.7
75.00756	3.7
81.03291	0.6
83.01256	7.9
85.02821	10.1
87.00748	1.5
89.02325	6.1
91.88689	0.6
95.01279	1.1
96.00787	1.3
96.08057	3.6
97.01585	4.8
98.02340	0.9
98.05981	1.7
99.00752	1.9
100.03933	1.2
101.02330	6.6
107.00538	1.1
107.01267	19.5
107.17751	0.6
108.01579	0.9
108.04473	1.0
109.01611	0.8
109.02832	3.9
109.05202	1.4
110.05987	1.5
113.02320	7.4
119.03361	3.0
120.08050	2.8
123.04401	0.7
123.06756	0.7
124.07571	37.9
125.02322	8.3
125.07931	0.9
126.05518	1.1
129.01860	1.1
131.03426	1.1
132.02039	0.7
133.02838	1.0
134.03603	1.5
134.06039	0.9
135.04413	78.6
136.04773	2.8
137.02335	1.4
138.03142	0.8
138.05475	1.0
138.67741	0.6
143.03343	1.2
145.02831	0.7
147.02922	0.7
151.00275	100.0
152.00604	3.2
159.02942	1.0
160.01591	1.0
160.07527	1.0
161.02324	2.6
161.04468	7.7
162.05518	1.0
163.06279	0.8
164.01167	0.7
165.01796	2.1
169.01367	3.3
175.03925	0.9
176.07050	0.6
177.01886	2.2
178.04959	0.9
179.05544	1.2
187.07562	1.5
191.01900	1.9
191.05533	1.7
192.06606	0.8
199.03976	1.5
201.01855	0.9
201.05544	1.1
217.05019	1.9
223.04106	0.7
241.04974	1.5
243.15010	6.4
257.08194	2.3
269.04745	0.6
269.07990	1.1
269.14078	0.7
275.09357	1.2
283.15024	0.8
285.04120	1.4
286.04489	1.3
287.05618	77.2
287.14008	70.7
288.05978	6.8
288.14340	5.0
297.09821	0.9
300.02612	0.8
301.15536	3.8
302.03427	1.4
329.15051	6.9
347.10825	0.7
389.21777	5.4
449.10718	19.7
449.19983	1.0
450.11398	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	14.9
59.01251	19.9
60.38256	1.3
60.40463	1.2
61.98700	4.4
65.00186	4.1
71.01241	3.1
73.02822	1.4
81.03346	4.2
83.01263	12.5
85.02824	3.9
93.03347	4.2
97.02797	1.9
98.19710	3.0
101.02326	3.3
107.01290	9.0
113.02333	1.9
117.03316	1.8
121.02865	3.0
123.04417	3.9
125.02343	100.0
126.02689	2.7
133.02837	1.8
135.04410	1.9
137.02359	2.0
138.69460	1.5
139.03888	2.5
149.02365	11.0
151.00281	26.6
152.01018	5.4
153.01842	9.2
159.04541	1.4
161.04478	3.3
165.01837	2.6
172.05229	2.2
173.06001	4.1
175.03908	1.9
176.01094	1.9
177.05499	2.3
178.99797	12.9
179.03412	5.3
179.62164	1.3
187.07506	1.7
197.05885	1.5
199.03862	1.6
199.07581	2.0
201.05457	3.1
215.07098	6.9
215.58798	1.3
225.05600	3.9
241.04951	3.3
243.06609	5.6
259.06110	77.4
260.06396	6.6
260.08823	1.5
269.04562	73.4
270.04837	6.6
287.05634	52.6
288.05957	6.7
311.05576	2.5
342.05695	3.0
389.21738	2.5
421.11258	2.2
449.10898	54.2
450.11224	6.2
452.27847	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41889	0.4
52.50391	0.5
57.03325	4.0
59.01254	16.7
63.02270	1.4
65.00201	2.5
69.03321	0.5
69.55826	3.3
71.01255	2.9
72.99180	0.9
75.00754	1.2
81.03333	3.0
83.01264	4.7
85.02836	4.5
87.00757	1.2
89.02318	2.1
93.03339	5.1
95.01264	0.7
95.04907	0.6
97.02834	0.9
99.00705	0.8
101.02313	2.0
102.56191	0.6
107.01271	3.9
109.02827	2.2
111.00765	1.4
113.02328	1.7
119.03384	0.9
119.04882	0.7
121.02836	1.8
123.00777	1.0
123.04396	1.8
124.01542	1.5
125.02337	37.2
126.02697	1.0
126.69865	0.5
129.01811	1.3
131.04941	1.0
133.02876	2.6
135.04402	2.8
137.02347	2.0
139.03879	2.4
145.02818	0.5
149.02367	3.0
151.00272	14.4
152.01060	2.6
153.01830	6.7
157.06509	0.7
158.03667	0.8
159.04359	1.1
161.04417	1.1
163.00351	0.6
165.01837	2.1
166.02541	0.6
167.03398	1.6
169.01393	3.9
171.04274	0.6
172.05186	4.0
173.06000	8.9
174.06258	0.5
175.00237	1.1
175.03917	1.7
177.01938	1.0
177.05495	2.8
178.98216	0.8
178.99788	17.8
179.03355	0.6
180.00151	1.0
181.01335	2.3
187.07623	1.1
197.05920	0.7
199.07591	1.8
200.04747	1.6
201.05496	3.2
205.03445	1.4
215.07086	12.8
216.07500	1.1
223.04584	1.5
225.05569	0.6
241.05026	1.4
243.06636	5.1
244.07103	0.5
245.08244	0.5
255.06697	1.2
258.05258	0.7
259.06107	100.0
260.06406	7.3
269.04556	2.3
271.06039	0.6
273.07660	2.1
283.06119	21.5
284.06418	1.4
287.05624	46.1
288.05951	3.4
301.07196	7.3
302.07535	0.8
311.05588	1.6
313.06967	1.6
329.06757	1.0
343.06744	1.6
361.09445	0.9
383.42282	0.5
389.22061	0.9
421.11411	15.2
422.11725	1.8
449.11060	4.8
449.16287	1.1
450.11380	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03761	0.7
59.01239	3.8
63.02270	1.0
64.57752	0.6
65.00188	4.3
69.25019	7.5
74.15971	0.7
76.87011	0.6
79.01801	1.3
83.01286	2.9
86.85525	0.7
95.01241	3.8
98.19756	1.3
107.01269	7.2
115.05435	1.2
117.03408	1.2
125.02321	4.0
134.42276	0.6
135.00790	0.7
135.04417	2.0
143.04938	1.4
145.02899	1.9
147.04433	0.9
149.02452	1.0
151.00269	33.3
152.00664	1.1
157.43225	0.6
159.04472	3.2
161.02362	1.8
163.00305	0.8
163.03920	1.8
164.62010	0.7
165.01863	0.7
169.01329	1.9
171.04446	1.0
172.05061	0.7
177.01860	1.0
178.99776	14.6
179.03326	0.8
187.03963	2.4
189.01932	0.7
191.03545	0.8
203.03471	5.6
206.15369	0.6
206.99281	1.3
215.03419	2.2
217.01387	2.1
230.02013	0.6
231.02953	7.4
232.03572	0.8
233.00876	1.5
243.03003	1.9
243.06532	1.0
245.00922	1.4
257.00894	3.5
258.01529	1.2
259.02496	7.4
259.06039	4.8
260.03052	1.3
261.00391	1.3
286.01251	3.4
287.01974	100.0
288.02283	7.2
301.03143	0.8
405.07947	0.7
425.28317	0.7
449.07162	55.5
450.07617	5.4
464.17072	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.0
69.56484	2.0
69.56915	1.9
73.55667	0.5
78.95778	18.9
92.27885	0.5
98.19870	0.7
104.97298	0.6
110.98421	12.2
129.23758	0.6
152.99368	0.5
164.69994	0.6
167.01070	14.1
185.02084	2.9
187.45305	0.6
279.23285	100.0
280.23618	9.8
443.62686	0.5
447.25116	13.1
448.25394	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0726
Annotation	Myricetin-3-Xyloside
Peak:m/z	Relative Intensity
51.70427	1.2
54.23629	1.2
59.01251	78.1
61.71149	1.1
64.29930	1.2
66.29459	1.3
70.87843	1.0
71.01254	11.2
73.02805	4.4
75.00726	2.4
83.01252	2.1
85.02795	4.8
87.00745	1.2
89.02306	2.2
98.84643	1.5
99.04334	1.4
101.02318	9.1
107.01228	2.4
113.02304	5.6
124.01523	3.7
125.02303	2.5
137.02374	3.3
139.86980	1.2
151.00247	9.1
152.01114	1.6
155.10625	3.2
156.04979	1.4
161.04466	9.5
163.00227	1.5
178.99808	8.2
209.11714	1.9
214.02660	7.6
215.03154	1.7
227.16484	2.3
242.02129	4.8
243.02850	3.3
259.02548	7.7
269.04492	1.6
269.13855	4.3
270.01712	7.9
271.02463	37.5
272.02731	3.8
273.04022	4.3
286.04303	1.5
287.01971	22.4
288.02386	3.4
316.02225	100.0
317.02921	32.1
318.03079	1.6
389.21790	15.2
449.07178	52.0
449.16464	2.2
449.27332	3.8
450.07379	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	449.0722
Annotation	Myricetin 3-alpha-L-arabinofuranoside
Peak:m/z	Relative Intensity
57.03318	2.5
59.01250	76.3
65.00186	5.3
71.01260	12.7
71.57295	3.1
73.02814	7.1
75.00733	7.8
83.01270	4.1
85.02802	4.8
87.00702	2.5
89.02301	7.5
95.01252	6.5
96.95897	2.6
99.00724	2.4
101.02308	8.6
104.42624	2.0
107.01254	5.3
109.02834	15.9
109.99979	11.0
111.00742	6.1
113.02348	5.8
115.00237	6.9
123.00748	8.0
124.01530	6.4
125.02309	9.1
129.10240	2.9
132.02916	3.1
135.00719	2.9
135.04352	3.5
136.98688	4.1
137.02338	5.5
137.09610	2.5
137.99492	3.1
139.00291	10.8
148.01608	2.1
149.02296	6.4
150.02713	2.5
151.00287	22.7
151.03928	4.1
152.01070	12.9
153.01791	5.8
155.10672	10.7
159.04422	2.3
161.02322	3.3
161.04448	2.7
163.00252	7.3
164.01033	4.5
165.01871	3.0
165.98947	9.6
166.99742	5.7
169.01312	2.9
171.04343	3.2
173.02373	3.2
175.03922	3.7
178.99774	15.6
179.05460	2.2
183.03000	2.2
183.04466	2.7
186.12334	4.1
187.03909	5.6
189.01830	2.7
193.01315	2.1
197.02469	2.5
199.03883	10.0
201.70067	2.5
203.03357	5.5
214.02618	4.7
215.03375	8.3
226.02611	2.2
227.03453	11.3
231.02956	6.9
241.01373	2.7
242.02086	8.9
243.02972	18.9
249.06021	3.7
255.02948	10.1
259.02380	4.8
270.01709	7.1
271.02475	58.6
272.03061	10.7
273.04025	14.0
273.13480	2.7
286.07813	2.3
287.01965	20.4
287.08917	7.5
288.02771	11.7
298.01065	3.4
299.01913	45.6
300.02191	3.3
300.10541	2.5
315.98526	3.9
316.02222	91.6
317.02975	100.0
318.03305	9.6
333.19211	5.0
334.17694	4.8
347.16711	2.6
389.21881	5.9
405.28537	2.9
407.19296	4.7
414.16342	3.5
449.07156	96.3
449.15475	9.5
449.21359	3.1
449.27271	4.3
450.07516	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	447.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59954	0.3
57.08872	0.3
59.01040	0.3
59.01254	2.9
61.64454	0.3
62.96236	0.3
66.37403	0.3
70.34399	1.4
76.64452	0.3
78.95784	8.9
89.99865	0.3
95.11671	0.3
98.19810	0.3
103.59753	0.3
110.98425	5.6
139.27599	0.3
152.99475	1.0
158.68739	0.3
167.01065	4.0
185.02156	4.0
279.23291	100.0
280.23645	10.7
280.26755	0.5
372.09933	0.4
447.25189	6.8
448.25684	1.0
457.19418	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49692	0.3
56.79295	0.3
59.01246	1.2
70.89821	0.7
70.90173	0.3
73.48450	0.3
74.74477	0.3
78.95779	7.2
81.65351	0.3
85.51279	0.4
101.64280	0.3
110.98421	4.0
152.99492	1.3
155.95135	0.4
167.01097	2.2
175.07510	0.3
178.79312	0.3
185.02107	3.2
261.21994	0.6
272.78574	0.5
279.23288	100.0
280.23639	9.1
348.03949	0.3
447.25208	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	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01686	0.4
55.01759	1.1
57.03334	1.0
58.00466	2.8
59.01251	82.9
60.01587	0.9
69.03344	0.6
69.40560	0.6
69.40963	3.7
71.01254	57.7
72.99185	3.4
73.02820	16.0
75.00755	0.6
83.01270	3.0
85.02831	6.7
87.00759	2.2
89.02317	100.0
90.02667	1.6
95.01259	2.5
97.02829	1.7
99.00755	22.7
99.10598	0.5
101.02325	39.3
102.02671	1.1
113.02328	16.7
115.03912	1.0
119.03393	17.4
125.02325	4.8
131.03394	15.5
143.03445	3.2
149.04463	48.6
150.04826	1.0
150.20410	0.5
161.04449	4.0
179.05560	5.1
191.05544	13.6
192.05969	0.5
221.06618	1.3
233.06627	1.5
251.07755	2.0
255.02930	0.8
257.90332	0.5
285.07666	1.8
293.08765	0.8
301.03528	0.6
315.18198	0.7
395.46762	0.5
447.09262	0.8
447.22311	17.7
448.22607	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82378	0.8
56.37922	0.7
57.25937	0.7
59.01251	100.0
60.01559	1.1
61.98695	1.4
69.42191	4.5
69.42621	3.9
71.01247	4.6
71.02659	0.8
73.02812	1.3
85.02826	1.1
89.02308	3.8
101.02303	2.8
108.23161	0.9
113.02318	3.2
113.46522	0.8
119.03379	1.6
123.08056	2.4
153.09117	1.4
159.02979	1.1
161.04465	4.9
162.04790	0.8
179.05530	1.9
189.12666	1.2
207.13872	5.6
225.14864	1.9
354.72360	0.8
387.19800	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	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41853	0.5
55.01776	1.1
57.03318	2.0
59.01251	100.0
60.01589	0.9
65.53188	0.4
69.46753	0.8
69.47157	3.1
71.01254	15.9
71.04892	0.5
73.02820	3.7
83.01266	1.2
83.53105	0.5
85.02827	5.7
89.02318	5.4
95.01286	1.5
95.04903	0.6
97.02842	0.5
97.70543	0.4
99.00772	1.3
101.02321	7.3
103.32464	0.5
109.06535	0.6
113.02338	5.5
114.02676	0.6
116.56658	0.5
119.03397	1.4
122.03648	0.6
125.94317	0.5
131.03403	0.5
138.06766	7.7
143.03363	1.0
145.95114	0.5
153.09116	22.7
154.09492	1.3
159.02901	1.2
161.04468	7.6
179.05548	0.8
207.13885	2.0
225.14909	22.7
226.15260	1.4
373.57037	0.5
387.20282	7.3
388.20587	0.7
463.05255	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	6.0
59.54726	0.5
62.96266	0.6
69.46246	4.2
71.01254	0.6
78.95778	18.7
86.60191	0.5
98.19740	0.8
104.97358	0.9
110.98414	11.5
112.46328	0.4
113.02300	0.5
126.54998	0.4
152.99483	1.7
153.09012	0.5
167.01073	13.0
168.01411	0.5
185.02187	3.0
211.13365	0.5
225.14960	0.8
279.23288	100.0
280.23627	9.8
292.00772	0.5
429.29965	0.7
447.09634	0.6
447.25241	12.6
447.31076	1.0
448.25427	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.4
56.26110	0.3
59.01254	100.0
60.01597	1.0
63.02256	0.3
64.06226	0.3
69.38484	3.1
71.01255	5.5
72.48032	0.3
72.99199	0.3
73.02833	0.9
83.01279	0.9
85.02820	1.9
87.00768	0.3
89.02321	5.7
95.01298	0.5
101.02328	3.2
107.01279	0.8
109.02907	0.3
113.02355	2.3
119.03394	1.7
121.02850	0.3
125.02401	0.4
131.03323	0.3
133.02844	1.1
134.03612	0.5
135.69252	0.3
143.03403	0.8
149.04445	0.5
151.00302	0.9
153.09029	0.3
161.04463	3.9
175.03871	0.4
179.05566	1.3
199.03955	0.8
199.07622	0.3
209.11882	0.3
219.15936	0.3
225.15115	0.4
227.03488	0.3
255.03163	0.7
256.03665	1.0
284.03265	12.3
285.04053	20.4
286.04398	2.0
387.20285	6.4
388.20920	0.5
447.09280	13.7
447.22522	0.6
448.09781	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01600	1.4
70.62836	1.4
71.01255	7.5
72.99193	0.6
73.02821	0.5
85.02826	1.3
87.00783	0.5
89.02318	12.7
95.01228	0.6
97.71767	0.5
101.02328	3.9
104.83122	0.4
113.02333	2.9
119.03383	4.4
131.03377	1.1
135.04398	1.7
143.03394	1.4
150.69244	0.6
151.00249	0.8
161.04474	1.8
179.03340	0.8
179.05475	4.1
198.03096	0.5
211.03896	0.6
226.02647	1.6
227.03453	19.2
228.03799	1.4
229.04958	0.7
253.99785	0.7
254.02206	12.1
255.02969	22.7
256.03574	3.4
257.04453	0.6
261.03513	0.5
269.04654	2.9
284.03134	17.8
284.06732	4.5
285.01028	0.8
285.04013	11.7
286.04309	1.4
387.20203	0.6
417.08051	1.3
432.10138	0.9
447.08987	27.9
447.22021	1.3
448.09180	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	447.2236
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
55.01756	7.8
55.47832	1.1
57.03329	5.2
58.00466	1.5
59.01254	49.2
69.03359	2.0
70.77338	2.4
71.01257	100.0
72.01592	2.3
72.99183	2.3
73.02825	39.7
74.03178	1.3
75.00747	3.3
81.03338	2.1
83.01252	10.9
83.17374	1.0
84.94170	0.9
85.02827	45.0
87.00751	4.6
89.02316	30.2
95.01267	7.5
97.02844	5.7
99.00761	19.3
101.02326	55.5
102.02661	1.3
106.12057	1.0
111.00806	1.9
113.02335	35.4
115.03895	2.3
119.03389	4.1
125.02360	6.2
129.01849	2.6
131.03374	4.8
143.03413	3.5
149.04465	4.0
159.02875	7.0
161.04465	47.2
162.04803	2.1
191.05545	2.0
205.03563	1.2
233.06625	3.6
234.27933	1.1
293.08728	1.2
315.18118	27.9
316.18509	2.6
447.22345	60.4
448.22720	5.9
448.39066	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06767	1.0
53.97863	1.2
55.01751	1.8
57.03323	2.2
58.00453	1.5
59.01252	76.3
70.54028	1.0
71.01254	33.4
71.38842	1.8
71.78173	1.0
71.78564	1.1
72.99179	2.2
73.02814	6.5
82.38659	1.1
83.01232	3.0
85.02827	11.0
87.00748	1.6
89.02325	22.5
93.20486	1.1
95.01265	3.0
97.21360	1.0
99.00763	1.6
101.02320	23.1
113.02338	12.6
119.03399	12.1
143.03354	2.0
159.02919	1.8
161.04425	3.9
163.29161	1.2
179.05444	2.1
195.13879	1.4
197.15416	1.5
206.12627	1.2
207.13789	1.8
225.14931	12.4
227.03564	1.4
261.70328	1.1
285.03967	1.4
301.03333	1.5
387.20221	100.0
388.20575	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	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55714	0.6
57.03331	0.8
59.01253	100.0
60.01607	0.8
68.44466	0.6
70.76381	1.5
70.81240	0.6
71.01254	8.5
73.02826	2.0
83.01263	0.9
85.02829	3.5
89.02326	5.5
95.01276	1.0
99.00784	0.7
101.02309	4.2
107.61958	0.6
109.02870	0.6
113.02366	4.2
119.03398	2.9
125.02347	3.9
143.03392	0.9
155.95235	0.7
159.02956	0.9
161.04463	4.7
167.03372	0.8
169.01418	1.2
175.00211	0.7
177.01947	1.7
179.05550	1.6
195.13881	0.7
213.34297	0.8
225.15071	0.9
237.24594	0.7
268.45865	0.6
285.04099	0.8
303.67807	0.7
327.05432	0.7
339.01532	0.6
343.31744	0.6
343.99191	0.7
387.20325	2.0
425.46738	0.6
431.75879	0.6
447.18051	0.8
450.88483	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
52.31713	1.1
55.01749	4.2
57.03316	5.9
58.00454	1.9
59.01250	48.2
60.99165	3.0
69.03309	1.3
71.01250	83.7
71.57584	1.3
72.01559	1.0
72.99181	3.2
73.02818	29.0
74.03114	1.1
75.00743	2.5
76.02832	0.9
81.03339	1.0
83.01254	10.6
85.02821	35.6
85.03345	1.7
87.00736	4.1
88.98666	18.2
89.01758	1.2
89.02307	24.7
91.73052	1.0
95.01252	8.5
97.02858	5.2
99.00751	13.4
99.04353	1.4
101.02316	53.6
102.02660	1.0
107.01282	1.7
108.02033	1.1
109.02786	2.3
113.02322	31.9
114.02651	1.3
115.03864	1.9
119.03377	6.0
123.00756	1.2
125.02335	9.6
131.03383	4.1
133.06471	1.9
134.03639	1.6
135.00798	1.1
135.04361	1.6
136.21628	1.1
137.02321	1.1
140.03459	1.0
143.03412	5.2
149.04414	3.7
151.00218	3.8
151.03868	1.0
153.01729	1.7
159.02905	6.6
159.04004	1.1
161.02354	2.2
161.04460	41.8
165.09084	1.0
169.01270	3.4
184.75874	1.0
205.03447	2.9
211.13251	8.0
219.93013	0.9
227.03419	3.4
233.06592	2.4
239.06821	1.0
241.05170	1.3
242.05794	1.1
254.02150	3.4
255.02989	7.6
269.04492	3.4
270.05301	38.2
271.02411	5.5
271.05618	2.2
284.03195	3.1
284.06601	1.1
285.04242	2.8
285.07642	36.7
286.07974	3.5
300.02679	11.6
301.03494	10.5
305.71625	1.1
315.18103	53.1
316.18448	4.8
344.15179	1.0
348.09869	1.1
380.45343	1.1
424.95959	1.1
447.08447	8.1
447.22263	100.0
448.09317	1.9
448.22647	11.0
458.64374	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20763	0.3
55.30075	0.2
59.01248	1.0
62.96262	0.4
65.21536	0.3
68.82591	0.2
70.70542	0.5
70.70911	0.6
78.07216	0.2
78.95774	54.5
80.45229	0.2
94.34331	0.3
96.95890	0.4
96.96842	6.6
113.09608	0.4
121.18752	0.2
150.97902	1.6
152.99486	100.0
153.99835	1.1
159.15512	0.3
171.00546	5.1
171.01875	0.2
171.97740	0.3
177.42085	0.2
198.23804	0.2
250.17824	0.2
279.75299	0.2
293.21252	0.7
447.21503	7.6
448.21844	0.8
464.37436	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40417	0.3
59.01256	3.3
68.95063	0.3
71.01267	0.4
71.01672	0.3
71.58727	0.2
73.03008	0.3
78.95777	74.9
89.32220	0.3
90.39449	0.3
91.80503	0.3
96.95879	0.4
96.96841	6.3
101.02308	0.4
113.09621	0.6
115.82833	0.3
119.04913	0.7
145.02856	1.6
150.97971	1.4
152.99492	100.0
153.99794	1.5
161.02364	0.8
163.03903	0.5
171.00568	3.3
190.19070	0.3
211.13316	1.2
225.14902	0.3
227.03328	0.3
237.44943	0.3
253.09108	0.3
283.19116	0.3
284.03171	1.1
285.04004	1.2
290.25504	0.3
293.21057	1.3
301.20111	0.5
435.08865	0.3
447.08875	1.0
447.21414	12.6
448.21796	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29819	0.3
59.01234	1.0
62.96268	1.0
64.25987	0.3
69.28505	3.2
78.95776	99.9
86.59084	0.3
96.96841	8.3
129.49692	0.3
140.58778	0.3
148.98825	0.5
149.00002	9.3
150.97931	2.0
152.99492	100.0
153.99870	1.8
158.92430	0.9
171.00542	3.0
179.01039	1.1
180.01382	0.3
205.15938	0.9
210.43642	0.3
210.45796	0.3
211.13316	0.5
264.86581	0.3
272.34775	0.3
285.04053	0.7
293.21234	0.6
313.26846	0.3
378.14468	0.3
431.10199	0.8
447.13416	42.4
447.21442	16.1
448.13773	4.6
448.21915	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.9
62.96260	0.2
71.01258	0.3
78.95777	58.1
87.86568	0.2
93.14269	0.2
96.96841	5.8
148.99992	0.6
150.97928	1.8
152.99492	100.0
153.99821	1.6
171.00572	4.3
211.13365	1.3
229.26939	0.3
253.09210	0.3
279.53616	0.2
284.03207	0.6
285.04138	0.8
293.21143	0.6
447.13641	1.5
447.21600	8.3
448.21896	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.6
62.96264	1.4
70.70162	0.3
73.98917	0.4
78.95776	44.3
96.96840	3.3
109.25670	0.3
146.55840	0.4
149.00000	20.6
150.00328	0.5
152.99507	1.1
158.92458	1.9
179.01094	2.7
198.43948	0.4
205.15919	1.3
229.23447	0.4
240.96625	0.4
285.04196	0.5
312.70132	0.4
347.08231	0.8
417.12415	1.0
431.10196	2.1
432.10800	0.6
447.13422	100.0
448.13739	10.3
464.10229	0.5
470.54102	0.4
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
57.38734	0.2
59.01249	2.3
59.29450	0.2
62.96263	1.3
69.86479	1.2
69.86894	0.5
78.95775	53.3
96.96838	3.8
98.19548	0.3
148.99995	20.1
150.00380	0.4
152.99490	14.6
158.92436	1.8
166.00188	0.2
171.00594	0.5
179.01086	2.8
196.89911	0.2
205.15892	1.6
211.13379	0.8
240.96658	0.7
267.11475	0.4
284.03253	0.6
285.04037	0.6
337.24658	0.3
347.08154	0.7
417.12372	1.1
431.10223	2.3
447.13425	100.0
448.13782	11.3
464.09946	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.4
59.01251	100.0
60.01588	0.9
71.01257	3.0
73.02823	1.0
83.01277	0.4
83.04974	0.4
85.02816	0.5
87.00761	0.5
89.02321	1.6
99.00764	0.5
101.02338	1.8
113.02322	1.0
119.03434	0.4
122.33553	0.3
125.02374	0.4
138.06781	0.9
153.01846	9.9
153.09093	2.0
154.02165	0.3
161.04495	1.3
168.04204	11.3
179.05620	0.3
183.06558	7.3
183.08047	0.5
225.14874	3.7
227.03609	0.6
229.80972	0.5
255.03065	1.1
284.03372	1.7
285.04065	1.4
387.20200	1.5
447.09515	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55400	1.1
59.01250	29.7
67.01756	1.5
69.03328	65.2
71.01260	11.7
71.57999	2.2
72.99184	1.5
73.02814	7.3
79.01775	5.2
81.03316	3.6
83.01258	4.0
85.02832	5.6
89.02316	3.0
91.05388	1.5
95.01273	6.4
97.02833	40.5
101.02316	10.3
107.01269	20.7
108.02056	15.8
109.02840	10.6
111.86572	1.4
113.02315	5.3
119.03392	1.4
121.02850	9.5
123.00755	12.5
123.04428	7.7
125.02336	94.4
126.02676	2.3
133.02875	2.4
134.03650	2.0
135.00821	2.8
135.04407	9.1
136.01535	4.7
136.04832	1.2
137.02351	6.7
145.02910	1.4
147.04407	4.0
149.02315	4.8
151.00270	74.7
152.00772	2.6
153.01830	18.0
161.02303	7.3
161.04459	3.1
163.00311	1.6
163.03911	9.0
165.01767	1.7
169.01303	2.4
177.01840	11.4
178.99850	2.6
191.77252	1.3
197.06015	9.3
198.03168	1.2
198.06593	1.2
211.13339	7.8
213.05550	1.7
215.06950	1.9
225.05420	1.5
226.02711	6.2
227.03436	3.0
242.05812	100.0
243.02867	2.5
243.06555	54.9
244.06915	3.8
254.02191	31.8
255.02821	11.8
269.04575	8.6
271.02567	11.9
279.05008	5.7
284.03262	3.9
284.06839	15.4
285.04050	4.9
285.07599	25.0
286.07776	2.5
297.06223	8.3
300.02731	17.6
301.03467	18.6
302.03860	1.5
315.18149	2.2
339.07153	9.5
417.08243	4.6
432.10776	3.3
447.08713	9.7
447.13065	13.8
447.22418	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	447.1297
Annotation	Homobutein 4-glucoside
Peak:m/z	Relative Intensity
57.03327	14.3
59.01248	26.9
61.98694	2.3
63.02275	3.4
65.00201	5.3
71.01249	17.7
71.50769	1.5
71.78281	1.3
72.83453	1.4
73.02820	5.1
75.00709	1.8
78.44450	1.4
78.95789	1.6
81.03323	2.5
83.01258	8.9
85.02824	6.1
87.00739	1.8
89.02312	14.6
93.03312	3.3
95.01251	2.7
99.00759	3.6
101.02337	11.5
107.01266	10.9
109.02850	8.2
113.02306	6.8
119.03381	4.1
121.02811	4.6
123.00759	3.5
123.04403	3.3
125.02337	100.0
126.02658	2.6
131.03375	2.4
135.00757	3.6
137.02335	10.7
139.03871	2.8
147.04453	2.4
149.02347	2.8
149.04454	6.1
151.00270	35.0
151.03931	3.1
152.00972	2.2
153.01834	10.2
161.04506	2.7
163.00313	4.2
164.01106	1.8
165.01839	7.4
167.03419	9.2
169.01353	5.4
177.01857	3.3
178.99770	26.0
180.00131	1.5
181.01361	9.4
193.01276	3.5
195.02890	3.9
211.03918	1.8
211.13336	3.4
225.05522	2.1
225.15027	2.2
227.03354	4.2
229.39667	1.8
231.03020	3.1
241.08662	2.7
242.09035	1.9
243.02980	2.3
243.09418	2.4
255.02936	9.7
257.04514	2.1
265.10843	5.6
269.04367	2.2
270.05215	2.6
271.02496	8.3
271.05261	1.9
272.02975	2.0
284.03241	2.8
285.04443	2.6
285.07605	13.9
300.02771	14.7
301.03470	13.3
302.03769	2.4
303.08646	2.9
315.17984	3.0
321.09650	3.9
346.04388	1.7
385.12991	2.2
387.20285	2.9
401.12503	3.1
405.21408	3.5
419.13492	4.5
429.11664	5.2
446.39456	1.5
447.13266	72.2
447.21951	12.8
448.13556	8.0
470.94968	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1296
Annotation	Siebolside A
Peak:m/z	Relative Intensity
55.80999	0.2
59.01251	2.3
61.11174	0.1
63.00352	0.2
65.00183	0.6
67.41943	0.2
69.03329	0.3
70.98013	0.5
71.01263	0.2
75.37235	0.2
80.02573	0.3
81.03326	0.4
84.39855	0.2
85.02818	0.2
91.01772	16.5
92.02110	0.6
93.03341	0.2
95.01265	0.9
107.01265	0.3
107.04922	0.5
108.02054	19.6
109.02862	3.7
110.03172	0.2
121.02854	1.0
123.00771	6.4
124.01547	0.6
135.00780	15.3
136.01093	0.4
137.02353	4.2
138.02612	0.2
149.02345	0.5
152.01060	18.2
153.01476	0.7
169.06396	0.2
177.01816	0.2
197.06044	1.6
198.06430	0.2
199.07457	0.4
211.13341	0.2
213.05531	1.4
215.07092	0.8
225.05502	0.4
241.04987	0.3
243.06595	100.0
244.06947	6.8
284.03305	0.4
285.03934	0.5
300.55554	0.2
314.36600	0.2
332.96301	0.2
387.10953	1.2
405.11981	0.2
447.13150	2.4
456.84381	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	14.3
59.01248	26.9
61.98694	2.3
63.02275	3.4
65.00201	5.3
71.01249	17.7
71.50769	1.5
71.78281	1.3
72.83453	1.4
73.02820	5.1
75.00709	1.8
78.44450	1.4
78.95789	1.6
81.03323	2.5
83.01258	8.9
85.02824	6.1
87.00739	1.8
89.02312	14.6
93.03312	3.3
95.01251	2.7
99.00759	3.6
101.02337	11.5
107.01266	10.9
109.02850	8.2
113.02306	6.8
119.03381	4.1
121.02811	4.6
123.00759	3.5
123.04403	3.3
125.02337	100.0
126.02658	2.6
131.03375	2.4
135.00757	3.6
137.02335	10.7
139.03871	2.8
147.04453	2.4
149.02347	2.8
149.04454	6.1
151.00270	35.0
151.03931	3.1
152.00972	2.2
153.01834	10.2
161.04506	2.7
163.00313	4.2
164.01106	1.8
165.01839	7.4
167.03419	9.2
169.01353	5.4
177.01857	3.3
178.99770	26.0
180.00131	1.5
181.01361	9.4
193.01276	3.5
195.02890	3.9
211.03918	1.8
211.13336	3.4
225.05522	2.1
225.15027	2.2
227.03354	4.2
229.39667	1.8
231.03020	3.1
241.08662	2.7
242.09035	1.9
243.02980	2.3
243.09418	2.4
255.02936	9.7
257.04514	2.1
265.10843	5.6
269.04367	2.2
270.05215	2.6
271.02496	8.3
271.05261	1.9
272.02975	2.0
284.03241	2.8
285.04443	2.6
285.07605	13.9
300.02771	14.7
301.03470	13.3
302.03769	2.4
303.08646	2.9
315.17984	3.0
321.09650	3.9
346.04388	1.7
385.12991	2.2
387.20285	2.9
401.12503	3.1
405.21408	3.5
419.13492	4.5
429.11664	5.2
446.39456	1.5
447.13266	72.2
447.21951	12.8
448.13556	8.0
470.94968	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02262	0.5
53.12671	0.4
59.01253	19.3
63.54576	0.4
69.03328	72.1
69.63120	3.3
70.03668	1.3
71.01251	2.4
73.02809	0.5
75.33820	0.6
79.01749	6.0
79.95634	0.6
81.03332	4.5
83.01257	1.6
85.02813	2.3
89.02330	0.6
93.03345	0.4
95.01266	6.9
96.95895	1.8
97.02831	40.5
98.03163	1.2
98.19887	0.6
101.02339	1.5
107.01270	28.3
107.04898	0.5
108.02064	9.2
109.02872	3.1
113.02386	1.1
121.02829	2.5
123.00767	10.1
125.02340	100.0
126.02689	2.9
133.02853	2.0
134.03592	0.9
135.00778	35.4
135.04427	0.9
136.01595	4.5
137.02383	2.2
145.02864	0.6
149.02348	1.4
150.03104	0.5
151.00279	65.7
152.01088	15.6
153.01825	3.7
161.02357	0.7
161.04500	0.6
163.03935	4.4
177.01857	8.3
181.01292	0.4
191.03395	0.5
197.06024	1.4
198.06773	1.1
208.63142	0.4
211.13438	1.1
225.05447	1.1
227.03395	0.6
242.05821	83.5
243.06541	37.9
244.06987	2.5
246.83472	0.5
255.03079	0.8
262.09952	0.5
263.47137	0.5
269.08295	1.5
284.03284	1.1
285.04037	2.8
285.07697	3.6
298.07748	0.5
300.10016	0.7
307.03308	0.5
315.12347	3.3
316.12729	0.6
339.07205	3.7
387.10770	1.5
447.13113	20.8
448.13367	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.8
57.03302	0.9
59.01252	18.9
60.99182	5.6
63.25476	0.7
69.03335	0.9
69.53105	6.7
70.95167	0.7
71.00893	1.0
71.01259	13.5
72.99215	1.0
73.02824	5.1
75.00741	1.1
83.01284	1.9
85.02832	5.4
87.00768	2.0
88.98679	43.7
89.02332	4.1
91.01786	0.7
95.01254	1.6
97.02879	1.0
99.00750	2.8
101.02325	8.5
107.01279	2.8
108.02055	2.1
109.02811	1.1
111.00747	1.2
113.02322	4.5
119.03404	1.2
123.00771	6.1
124.01617	1.5
125.02340	16.8
133.06500	11.3
134.03638	3.4
134.06848	0.9
135.00815	0.8
137.02388	1.5
139.00270	2.2
141.01857	0.8
143.03452	0.7
145.02785	0.8
149.06029	2.2
151.00256	4.4
153.01875	1.3
158.99927	0.8
161.04446	4.3
168.00624	1.2
169.01366	18.7
174.65155	0.7
182.03662	1.3
183.13887	1.0
195.06564	1.8
198.03178	2.9
199.07617	1.5
211.04015	1.0
211.13347	16.8
212.13795	1.0
225.05429	1.0
226.02673	14.1
227.03381	2.2
241.05086	3.4
253.09315	1.3
254.02184	100.0
255.02788	14.9
256.03571	1.7
268.03836	1.3
269.04550	42.6
270.05304	40.2
271.03082	0.8
271.05765	3.4
284.06894	73.5
285.04236	2.3
285.07651	50.0
286.08044	4.3
313.05573	5.2
314.80508	0.8
315.18182	5.1
341.35486	0.8
387.19983	2.1
417.08200	1.1
432.10645	22.0
433.11124	2.0
447.13040	47.1
447.22116	13.7
448.13315	6.7
448.23038	1.3
454.16190	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.8
57.03329	0.8
58.00035	0.7
58.00496	0.6
59.01248	11.0
60.99178	15.1
69.03314	1.5
71.01257	14.0
71.59017	0.7
72.99174	0.9
73.02822	5.9
83.01266	2.6
85.02829	6.8
87.00760	0.8
88.98680	100.0
89.02316	4.4
89.99067	0.9
95.01262	1.7
97.02824	0.9
98.19767	1.7
98.20480	2.9
99.00775	2.2
101.02321	9.9
113.02324	6.2
114.59310	0.6
117.07081	0.6
123.00760	0.9
125.02347	1.2
143.03409	0.9
144.89864	0.7
151.07509	1.5
159.02939	1.0
161.04480	6.2
168.34833	0.6
183.13786	0.8
195.06544	4.0
211.13339	12.2
219.06601	1.6
225.05455	0.9
226.02734	2.5
227.03374	1.2
229.68518	1.0
229.70612	0.7
241.04980	1.4
242.05835	1.1
253.04948	0.9
253.09253	1.1
254.02185	17.9
255.02805	3.6
269.04559	8.9
270.05310	24.7
271.05630	1.7
283.02985	0.6
284.06888	11.5
284.80899	0.7
285.04568	1.1
285.07666	20.6
286.08038	2.1
315.18179	10.2
357.11755	1.5
366.09372	0.8
428.13745	0.8
432.10648	3.7
433.10956	1.0
447.13055	2.9
447.22263	17.2
448.13315	0.8
448.22861	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41574	1.0
59.01252	35.2
60.99186	6.9
69.03308	2.0
70.90371	2.6
70.90704	2.0
71.01254	19.2
72.53967	1.1
72.99200	1.9
73.02824	7.0
75.00745	1.5
76.23655	1.3
77.78656	1.1
80.96355	1.1
83.01266	2.8
85.02839	7.8
87.00753	2.1
88.98679	45.0
89.02328	7.9
91.56407	1.3
95.01273	1.9
97.02873	1.2
99.00783	2.4
101.02330	13.0
105.37280	1.1
107.01273	6.1
108.02020	2.0
111.00754	1.5
113.02338	7.1
119.03426	2.1
123.00790	11.5
124.40658	1.2
125.02334	35.1
129.94705	1.1
133.06487	23.0
134.03633	4.4
135.00827	1.8
136.01546	1.2
136.98753	1.8
137.02394	2.0
139.00284	3.3
140.01085	5.5
141.01801	2.1
143.03447	1.3
149.06039	2.2
151.00293	9.3
151.03888	1.2
153.01846	2.9
161.02422	1.2
161.04494	6.0
168.00555	2.2
169.01344	42.8
170.01694	1.4
183.13850	6.0
193.12206	2.2
195.06609	1.4
198.03215	2.3
211.13342	90.2
212.13683	3.7
225.05672	1.7
225.15009	1.4
226.02707	14.9
227.03391	4.6
228.11215	1.2
241.05136	3.2
243.10155	1.8
253.09221	8.0
254.02188	100.0
255.02786	14.3
256.03558	1.8
269.04544	48.9
270.05319	35.5
270.08011	2.3
271.05759	3.3
284.03537	5.7
284.06891	74.7
285.04184	8.1
285.07639	52.4
286.08151	3.3
313.05661	11.8
315.18253	4.3
387.20459	4.0
405.21271	1.3
417.08563	2.4
432.10568	23.9
433.11041	2.7
447.13107	93.2
447.21893	14.2
448.13507	12.1
448.22733	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07280	1.1
59.01251	8.0
61.38093	1.2
71.57767	1.8
71.58138	1.2
78.95769	8.2
80.27470	1.3
84.30698	1.4
90.42276	1.2
91.01792	4.5
95.85081	1.5
96.95909	2.2
108.02094	1.4
135.00764	2.4
146.91576	1.3
151.00169	1.5
152.99489	10.3
153.01886	4.3
159.58542	1.5
167.05002	2.4
179.07108	2.2
183.04437	2.6
195.04456	8.5
201.02267	1.4
211.03908	12.5
223.03976	4.0
227.03169	1.9
239.03456	100.0
240.03862	10.5
255.03011	2.8
255.06624	2.6
267.02988	73.1
268.03693	22.7
269.04495	2.4
271.02588	3.2
283.05899	1.7
284.03253	2.3
285.03931	7.1
299.05545	2.4
300.02856	2.7
300.06375	3.3
301.03467	3.9
406.10315	1.6
406.72614	1.5
447.10797	36.5
448.10953	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79406	0.5
59.01255	4.3
59.67648	0.8
70.34641	2.7
71.01238	0.7
78.95745	0.9
91.01749	2.4
96.95861	2.5
98.19963	0.9
104.02561	0.8
108.02014	1.2
109.02785	1.4
121.02805	0.8
123.66175	0.7
131.01250	0.8
132.02072	9.9
133.02895	4.5
134.03601	2.5
135.00761	4.7
135.04414	1.1
137.24643	0.6
146.03659	5.6
148.01595	0.9
152.91785	0.6
153.01813	3.2
155.04944	1.1
159.00764	2.9
161.05940	1.6
164.04691	2.7
167.04872	1.2
177.01826	0.7
179.07065	4.7
182.03612	0.7
183.04500	3.4
184.05159	2.4
187.04134	0.6
195.04416	6.2
199.03893	0.7
211.03943	20.0
212.04634	3.1
223.04021	4.3
224.04677	3.4
227.03467	1.2
229.49515	0.6
235.03937	0.7
239.03455	93.1
240.04155	22.4
241.04782	0.9
247.66479	0.6
251.03424	4.5
252.04402	1.4
255.02997	1.3
265.05060	4.5
266.02182	1.0
267.02966	100.0
268.03729	95.5
269.04391	21.0
270.04871	0.9
271.02451	1.0
279.02866	0.8
281.04614	1.0
283.05984	1.5
285.04102	0.7
293.04358	1.3
297.22263	0.6
300.02740	2.6
301.03345	1.5
343.93677	0.7
385.07367	0.9
414.07584	1.1
417.09805	22.7
418.10202	2.3
429.09830	14.0
430.10242	1.0
447.10809	32.5
448.11136	4.1
461.16351	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	4.1
69.46143	3.1
69.46551	1.2
71.01260	1.5
78.95776	0.8
91.01794	1.6
96.95889	6.1
97.18045	0.5
100.58849	0.5
101.02245	0.6
104.02556	0.5
107.01222	0.5
108.02089	1.2
114.20013	0.5
121.02828	0.6
122.93182	0.5
132.02065	8.7
133.02872	1.0
135.00755	3.7
135.04405	3.5
146.03647	4.2
147.04407	1.7
151.00275	0.7
153.01849	2.9
159.00772	1.5
161.06027	1.6
163.00317	0.5
164.04681	2.9
165.05487	7.2
167.04956	1.5
179.07066	4.1
182.03600	0.8
183.04446	3.3
184.05244	1.9
195.04440	4.5
210.03015	0.6
211.03943	15.3
212.04634	1.8
223.03903	2.7
224.04713	2.6
227.03601	1.0
239.03456	94.2
240.04106	14.2
241.04698	0.6
243.19487	0.8
251.03467	1.7
255.02930	1.2
265.05035	1.8
266.02228	0.9
267.02966	100.0
268.03723	65.0
269.04315	7.5
271.02505	1.2
282.05389	2.5
283.06122	3.9
284.03366	0.7
285.04031	0.9
291.05408	0.6
297.56097	0.6
300.02747	1.4
301.03555	2.6
405.24591	0.7
416.35040	0.6
417.09634	4.4
429.09656	4.6
434.70877	0.6
447.10507	8.2
447.25888	2.2
447.50458	0.5
448.11078	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1084
Annotation	Artonin P
Peak:m/z	Relative Intensity
52.76587	1.3
59.01255	12.6
71.01245	1.6
71.57655	2.4
72.44544	2.0
78.95768	2.3
79.95603	2.6
91.01765	3.5
96.95872	3.3
101.02267	1.4
104.02535	2.1
113.02316	1.9
120.95768	1.5
125.02310	1.5
132.02057	6.8
133.02837	29.3
135.00760	8.6
151.00262	4.6
152.99506	1.5
153.01801	7.6
161.04454	1.8
165.05385	2.3
183.04393	1.9
201.05481	2.3
211.03944	4.0
217.83627	1.4
227.03423	5.1
239.03470	85.1
240.04195	20.7
240.07999	1.6
243.03035	2.3
255.02983	6.6
256.03665	1.5
267.02975	100.0
268.03726	92.0
269.04526	91.8
270.04843	4.7
271.02481	7.7
283.02539	1.6
283.06201	2.6
284.03265	4.2
285.04013	5.2
300.02780	11.9
301.03494	10.4
329.23383	1.6
429.09918	5.2
447.09799	15.6
447.20593	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82568	0.3
59.01253	15.6
61.92076	0.3
62.91156	0.3
63.02265	1.3
65.00210	0.8
69.36490	2.7
69.36903	0.5
73.02820	0.4
80.37172	0.3
83.01261	1.0
85.02830	0.7
89.02319	1.2
95.01223	0.3
98.19817	0.5
101.02326	1.1
101.64456	0.3
104.96809	0.4
107.01241	2.4
109.02900	0.4
113.02317	1.0
119.03371	0.4
121.02817	0.4
133.02844	3.4
134.03644	0.6
135.04417	0.7
148.01553	0.4
149.02342	1.5
149.99583	0.3
151.00267	4.3
156.65379	0.3
161.04480	2.0
172.16888	0.4
175.04018	1.5
177.01828	0.5
183.04472	0.6
199.03973	1.9
201.01927	0.6
211.03943	1.1
212.04625	0.6
217.04977	0.6
223.13326	0.4
225.14984	0.5
227.03445	1.3
239.03427	0.5
241.05075	0.7
243.02954	0.4
255.03017	1.5
256.03723	3.6
257.04181	0.9
267.12335	0.4
269.04367	0.4
283.02499	1.0
284.03262	54.1
285.04025	100.0
286.04385	8.0
327.05124	1.0
381.78845	0.3
387.20316	1.8
405.52228	0.4
447.09314	74.1
448.09689	7.6
448.14133	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.1
57.03317	1.4
59.01250	58.1
65.00177	1.1
66.29151	0.8
71.01255	15.1
71.57634	1.7
73.02812	3.3
83.01247	2.3
85.02824	4.2
89.02315	7.6
91.01759	3.3
99.00735	1.3
101.02319	8.0
103.55740	0.8
107.01279	2.3
109.02848	2.6
113.02317	5.6
119.03368	1.7
121.02818	3.6
125.02337	3.4
133.02837	9.9
135.00755	4.9
135.04419	1.1
147.00710	1.1
147.04422	1.1
148.01538	4.4
149.02341	3.3
151.00285	5.5
153.01839	5.1
153.09109	2.3
161.04451	4.7
163.00305	5.9
169.01300	1.1
175.03891	2.8
177.01892	1.3
183.04401	1.1
199.03909	2.8
200.04601	1.4
207.13863	1.0
210.03218	1.6
211.03934	2.2
213.05518	2.6
217.05006	1.9
225.14911	10.4
227.03439	27.9
228.03679	1.8
229.04980	3.3
238.02719	2.3
239.03448	14.8
240.03804	2.4
241.04947	2.1
255.02959	52.6
256.03607	11.3
283.02414	1.5
284.03256	66.5
285.04019	100.0
286.04370	7.7
297.03925	2.2
298.04877	2.3
299.05566	3.3
327.05051	14.4
328.05557	1.8
357.06131	3.0
387.20197	20.1
447.09293	91.2
448.09747	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	447.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	7.1
63.02269	1.5
65.00208	1.2
69.42390	2.2
69.42821	2.2
83.01251	1.2
100.33569	0.5
101.13799	0.5
107.01270	3.2
109.02855	0.7
113.02314	0.4
121.02727	0.6
122.15242	0.5
133.02858	5.6
134.03633	1.6
148.01564	0.5
149.02328	1.6
149.99551	0.6
151.00310	5.9
169.01360	0.6
175.03923	2.0
183.04388	1.0
185.94337	0.5
199.03958	2.1
200.04729	0.8
201.01836	0.6
211.03947	1.7
212.04604	0.6
217.04985	1.0
227.03471	2.6
239.03503	0.9
243.03038	0.7
255.02963	1.2
256.03745	5.5
283.02536	1.3
284.03268	62.7
285.04037	100.0
286.04422	5.9
327.04953	0.8
387.06052	0.5
387.20184	0.6
402.34012	0.5
447.09320	59.8
448.09665	5.5
462.03369	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04201	0.4
59.01256	5.2
61.96699	0.4
62.83091	0.4
65.00201	0.9
68.57209	0.4
69.61775	3.0
71.01259	1.3
73.02822	0.4
83.01276	0.8
85.02808	0.6
89.02312	0.7
89.85394	0.4
91.83426	0.4
101.02334	0.9
107.01295	2.2
125.02362	0.7
133.02852	8.6
149.02350	1.9
151.00278	6.7
153.01842	1.0
158.02287	0.4
171.04410	0.9
175.03964	3.6
185.05923	0.5
187.03822	0.5
197.06078	0.6
198.03157	0.7
199.03951	5.2
201.01907	1.5
203.03419	0.4
210.36536	0.4
211.03944	0.4
213.05383	0.5
214.02991	0.4
215.03397	2.7
217.04982	2.1
217.58012	0.4
227.03513	2.8
228.03775	0.4
241.04993	1.1
242.02191	5.1
243.02966	19.1
244.03374	1.2
255.03018	1.0
256.03741	2.6
257.04520	5.9
270.01749	5.3
271.02490	18.1
272.02863	1.3
284.03360	3.4
284.41782	0.4
285.04059	100.0
286.04480	9.3
299.01950	3.2
300.02753	2.9
301.03564	0.4
314.04337	19.0
315.04938	3.9
387.20007	0.5
447.09326	53.7
448.09656	5.9
465.82565	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75208	0.6
54.66773	0.6
59.00993	0.5
59.01258	4.5
63.02269	6.3
65.00188	4.4
65.28901	0.6
65.90922	0.6
69.24130	7.4
80.40086	0.6
83.01258	5.1
95.01262	1.0
96.08474	0.7
101.02280	0.6
107.01267	13.1
108.02075	1.8
109.02837	2.6
116.92760	1.7
121.02882	3.7
123.00719	1.2
123.04453	0.7
125.02322	2.0
132.02107	0.9
133.02840	7.4
133.03693	0.9
135.00748	1.1
137.02344	0.9
148.01553	1.6
149.02333	2.0
151.00273	35.3
152.00677	1.6
163.00269	4.8
164.01044	2.5
169.01385	5.2
173.06026	0.7
175.03894	2.6
178.99811	5.3
183.04410	1.1
185.05965	1.5
192.00601	0.8
199.03905	2.2
201.01863	1.2
201.05623	0.8
211.03961	1.9
212.04675	0.8
213.05492	2.6
215.03421	0.9
217.05055	1.3
226.02603	1.5
227.03445	7.1
228.03955	1.1
229.05017	2.9
239.03371	1.1
240.04210	1.0
241.04987	2.2
243.02957	8.9
244.03255	1.1
245.04503	2.1
254.02176	1.6
255.02965	25.0
256.03442	2.0
257.04544	8.7
271.02478	35.9
272.02954	4.9
273.04013	1.7
283.02502	2.4
284.03250	24.1
285.04028	100.0
286.04367	7.3
300.02737	51.7
301.03479	39.6
302.03842	3.1
327.04877	0.8
386.74506	0.9
447.09280	59.0
448.09595	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	447.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83522	0.6
59.01251	1.4
65.00191	1.9
69.46529	4.3
83.01268	0.9
90.55026	0.7
93.03383	0.6
98.20483	1.4
107.01267	3.5
108.02061	2.2
109.02862	3.0
115.49102	0.6
121.02880	3.8
125.02318	1.2
135.00819	1.0
148.01563	1.7
149.02383	0.7
151.00279	16.0
159.04337	0.9
159.86919	0.6
163.00299	4.2
169.01337	1.9
178.99803	9.6
183.04472	1.2
187.03883	0.7
199.04019	0.8
201.05525	1.0
211.03967	2.2
213.83669	0.6
215.03474	0.9
226.02710	1.4
227.03455	22.0
228.03978	1.5
229.05014	1.9
239.03436	1.2
243.02975	9.8
244.03529	0.9
245.04530	1.7
254.02179	2.1
255.02975	49.4
256.03418	5.4
257.04556	0.7
271.02487	44.2
272.02975	3.7
273.04156	1.7
283.02402	2.1
284.03265	28.7
285.03983	11.2
299.02054	1.2
300.02753	97.4
300.99799	0.8
301.03506	89.2
302.03918	6.3
447.09311	100.0
448.09717	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	447.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59089	0.5
52.19580	0.5
59.01254	52.0
65.00168	0.7
69.58833	4.1
71.01263	5.0
73.02818	1.7
83.01253	1.1
85.02833	1.1
86.56814	0.5
87.00795	0.8
89.02317	5.9
101.02322	3.8
107.01283	0.8
109.02939	0.6
109.29129	0.5
113.02335	2.1
114.11759	0.5
119.03381	3.1
125.02356	0.6
127.22521	0.5
135.00690	0.6
135.04407	1.7
143.03436	0.5
151.00316	2.8
153.01871	0.5
161.04514	1.3
163.00417	0.6
165.01704	0.5
175.03830	0.6
179.05568	1.7
183.04433	1.2
185.05916	0.9
207.56680	0.5
210.46652	0.5
211.03989	2.6
213.05371	0.8
226.02779	0.7
227.03453	75.1
228.03778	4.6
229.05040	2.3
239.03503	0.8
241.05003	0.6
241.07243	1.0
254.02142	3.8
255.02971	100.0
256.03589	12.6
257.04523	1.2
269.04605	1.1
284.03268	81.1
285.03976	28.4
285.06870	0.5
286.04346	2.1
298.29065	0.5
327.05051	1.1
387.20184	1.3
405.21335	0.8
447.09299	84.9
448.09625	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	447.0724
Annotation	XL147
Peak:m/z	Relative Intensity
59.01254	8.1
60.08722	0.4
64.87415	0.4
69.03336	0.4
69.48846	2.8
71.01259	2.2
73.02817	0.5
78.71926	0.4
79.28255	0.3
81.03315	0.4
85.02824	0.9
89.02332	1.4
95.01251	0.4
95.04913	0.6
101.02314	1.5
109.02850	1.0
113.02291	0.9
119.03390	0.3
120.75737	0.3
121.02886	0.5
123.04422	3.7
125.02358	0.7
149.04404	0.4
151.03905	1.2
161.04483	1.1
167.04851	0.7
183.04420	0.8
183.13853	0.9
185.95081	0.4
188.04683	0.4
195.04482	1.2
199.03963	0.6
199.07719	0.4
211.03987	3.3
211.13341	14.6
212.04495	0.5
212.13815	0.5
213.05455	0.5
223.03967	3.0
224.04439	0.4
225.05551	0.5
225.14816	0.4
226.02597	0.4
227.03490	1.3
239.03468	7.0
240.04187	1.5
241.04930	0.6
241.13379	0.8
250.02644	0.5
251.03445	2.5
252.00647	0.7
253.09224	1.8
254.02187	0.4
255.02945	1.2
257.04517	0.8
262.98105	0.4
265.01382	0.7
266.02237	1.0
267.02972	14.4
268.03699	5.2
269.04297	0.7
269.54694	0.4
270.05441	1.2
278.02234	0.4
281.04532	0.5
282.01678	5.3
283.02405	3.2
284.03085	1.0
285.04047	1.9
285.07648	1.5
293.00992	1.7
294.01505	0.6
294.05304	0.7
295.02475	78.2
296.03119	21.3
297.03857	4.0
300.02478	0.5
309.03955	1.9
315.04739	0.4
321.03967	0.5
322.01175	0.8
323.01944	8.2
324.02448	0.6
325.03595	1.4
328.02292	1.9
337.03571	1.0
338.04324	1.2
339.04883	0.4
387.20322	0.5
401.06406	0.4
403.08319	0.7
429.05981	0.6
447.07202	100.0
448.07535	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	445.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00315	1.4
59.01253	100.0
71.01242	3.2
71.39015	2.2
78.95784	2.1
86.83137	1.4
89.02321	2.4
91.03893	3.3
96.95897	4.0
101.02322	2.0
139.68633	1.4
153.09143	2.3
159.85449	1.5
209.11763	19.0
211.13263	2.8
311.22241	15.3
465.83194	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42421	1.3
59.01254	100.0
71.01263	2.5
78.95802	1.9
89.02316	1.5
91.03885	2.6
96.95883	5.7
98.20611	1.8
121.02867	1.6
152.99446	2.0
153.46605	1.2
156.50388	1.1
209.11784	8.9
211.13367	1.3
214.03374	1.3
293.21188	1.4
311.22281	14.6
312.22684	1.8
363.11505	1.6
385.18661	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
71.01257	2.3
71.13643	2.5
71.13982	2.7
78.95766	10.0
89.02283	1.7
91.03880	2.4
96.95869	6.9
108.15103	1.4
121.02866	2.1
127.29333	1.4
133.02859	2.6
140.83141	1.4
152.99481	12.6
153.09038	1.5
161.04506	1.6
167.90465	1.4
178.21381	1.4
209.11761	3.9
227.85841	1.5
241.66583	1.6
256.95816	1.4
311.22211	9.5
372.62671	1.5
397.89407	1.4
445.26059	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	446.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26709	0.7
58.02827	1.0
59.01250	10.2
63.96098	1.5
65.00191	1.0
66.03366	1.1
71.01255	7.6
71.04007	0.7
71.37226	0.7
71.58431	1.1
73.02824	0.8
78.98464	5.3
82.02863	4.5
83.01241	1.5
84.04416	0.9
85.02834	1.1
85.03947	36.4
86.02355	1.8
86.76292	0.9
87.05511	10.1
88.03907	6.2
89.02310	0.9
97.03947	1.0
101.02334	1.8
102.00063	4.9
107.01288	3.8
108.02077	1.0
109.02821	2.7
109.03940	2.1
111.01918	0.9
113.02323	1.4
113.03454	1.5
119.02735	2.8
121.02807	3.6
125.02315	2.1
127.05025	10.7
128.03432	74.7
129.03772	2.6
130.34898	0.9
135.05554	5.4
137.02356	0.9
139.03931	1.0
139.04977	0.9
145.06102	3.0
148.01537	1.5
149.02347	1.4
151.00285	12.2
152.08228	5.2
153.06578	3.1
157.06102	47.9
159.07617	3.3
161.04572	0.8
163.00249	3.0
165.09081	0.8
166.06119	4.5
169.01320	1.4
170.09340	0.9
174.02214	12.6
178.06152	3.3
178.99788	7.3
179.04530	7.6
180.03329	1.1
183.04446	0.8
184.04779	2.5
184.07196	2.5
187.06792	0.8
191.04953	4.8
196.07202	12.0
197.05661	1.8
199.03947	1.8
209.08125	3.0
210.08429	0.9
211.03879	1.3
212.04933	1.1
214.08191	0.9
224.10339	2.5
227.03455	3.2
231.04350	0.9
242.11458	1.7
243.02917	7.5
245.04520	1.3
248.07162	2.2
254.02126	1.3
255.02982	21.3
256.03415	0.9
268.09381	7.7
271.02466	34.6
272.02954	2.3
273.03940	1.8
283.02426	1.4
284.03177	2.5
285.03998	2.5
286.10443	22.3
287.10693	1.3
299.01813	2.2
300.02734	63.7
301.03503	52.3
302.03802	2.6
302.08072	6.5
320.09198	100.0
321.09512	7.3
342.13721	2.3
446.14584	0.8
446.20004	6.1
447.09262	43.1
453.18073	0.8
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
50.19320	0.3
52.37749	0.3
55.01752	0.3
57.03330	0.3
58.00454	0.2
59.01252	7.5
69.03338	0.3
71.01251	4.8
71.59707	0.4
72.99187	0.3
73.02827	1.3
74.42314	0.2
75.00738	0.3
83.01278	0.4
85.02819	1.2
87.00769	0.6
89.02325	3.5
95.01250	0.4
95.69010	0.2
97.02837	0.3
99.00758	0.4
101.02332	4.2
113.02338	2.4
119.03380	1.3
119.49637	0.2
119.92594	0.2
121.02850	1.0
125.02322	0.6
131.03418	0.3
133.04924	0.5
136.08336	0.3
143.03407	0.3
152.46198	0.2
153.09099	0.5
160.30685	0.3
161.04469	1.6
179.05511	0.5
181.06395	0.2
209.11772	100.0
210.12106	6.9
235.08156	1.4
250.29112	0.2
253.09256	11.9
254.09645	0.4
267.68069	0.3
339.29004	0.3
408.74512	0.3
445.24490	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.5
71.06528	1.0
72.01007	0.4
78.95775	5.9
93.13140	0.4
103.33460	0.5
110.98407	4.1
115.22411	0.4
141.12521	0.4
167.01111	2.4
185.02141	4.7
259.20560	0.5
277.21722	100.0
278.22055	9.7
328.20505	0.5
355.95709	0.5
408.74548	0.4
445.23486	4.4
446.24298	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61853	0.3
54.15871	0.4
55.47498	0.3
56.00459	0.3
59.01262	2.0
66.67164	0.3
70.15422	1.7
78.95778	20.7
98.20438	0.5
104.97330	1.1
110.98415	13.8
136.99979	0.7
141.86932	0.4
167.01057	16.4
185.02130	3.6
190.72702	0.4
202.90308	0.4
211.97803	0.4
231.53877	0.4
233.22736	0.7
260.87845	0.4
277.21716	100.0
278.22046	8.6
445.23618	15.0
446.23996	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	445.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57668	1.1
57.03329	64.3
58.00473	1.4
58.03662	1.2
59.01254	100.0
69.57150	8.2
71.01258	32.0
72.99181	4.0
73.02818	4.4
75.00758	2.5
81.03331	14.3
83.01266	3.4
83.04906	2.1
85.02824	11.1
87.00739	2.6
89.02326	34.1
91.01788	1.5
93.03326	1.9
95.01262	2.4
97.02835	2.6
98.99387	1.2
99.00793	3.1
99.04395	23.9
99.27968	1.1
101.02325	26.6
109.02837	2.0
113.02343	11.2
115.03938	1.2
117.01800	1.3
119.03403	8.4
121.02841	2.7
123.00759	2.0
123.08028	1.1
124.01594	1.9
125.02340	24.3
129.01888	1.6
131.03398	2.1
131.79224	1.3
135.04330	1.3
136.01546	1.1
137.02356	11.8
138.03160	7.6
143.03412	2.6
149.02319	1.9
149.04459	3.4
150.03210	1.3
150.04860	1.1
151.03938	9.7
151.07555	2.8
152.04701	10.6
152.08368	1.8
153.09122	5.0
161.02292	1.6
161.04439	5.7
163.07520	1.6
164.01050	4.2
164.04713	1.7
167.07080	19.6
168.00620	2.5
168.07504	1.8
169.01352	18.5
177.05501	1.5
179.05545	5.9
179.07048	35.1
180.07414	1.8
203.07045	2.4
203.10721	2.8
205.01363	1.5
205.12276	4.3
206.98119	1.2
209.08119	4.2
209.11809	9.2
212.06870	2.4
221.08173	5.0
221.11632	2.7
223.06064	5.5
223.13324	1.6
227.09261	6.1
233.06639	4.1
237.07661	2.0
265.07275	7.0
283.08258	1.7
293.08911	2.2
323.15012	3.0
331.06473	1.4
341.12665	3.0
385.11588	6.3
385.18698	3.5
401.13666	1.3
427.12466	9.0
445.13065	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	445.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01598	0.7
62.01746	0.4
69.49691	0.9
69.50111	2.1
69.81644	0.4
71.01258	0.7
78.95783	5.9
80.23297	0.3
85.32615	0.3
96.95882	1.1
96.96851	0.4
121.02848	0.8
148.99986	7.8
152.99541	0.4
157.50185	0.4
205.15918	6.6
205.17659	0.5
264.99768	0.3
279.11072	0.3
355.16779	22.1
356.17059	2.0
357.09818	0.5
385.17874	12.3
385.22650	0.8
386.18494	1.2
417.04095	0.5
445.11896	0.5
445.20187	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	445.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	2.4
58.00457	2.2
59.01252	100.0
68.75185	0.8
70.84892	1.1
71.01253	44.2
71.59432	1.3
72.01592	1.0
72.99181	2.9
73.02819	6.7
75.00752	1.4
81.16779	0.9
83.01289	1.3
84.44902	0.9
85.02830	11.4
87.00765	2.9
89.02319	52.0
90.02659	1.5
90.75644	0.9
95.01266	2.7
99.00767	1.9
99.23309	1.0
101.02326	21.0
113.02333	17.5
119.03399	19.9
121.06583	0.9
131.03450	1.7
137.09613	6.5
143.03424	4.7
149.04498	1.7
153.09099	3.8
159.02843	1.3
161.04512	8.2
175.02364	1.1
179.05545	13.5
205.12271	9.5
211.03973	2.7
213.05466	1.7
223.13338	2.4
241.14355	0.9
269.04575	10.6
271.02487	1.8
299.01907	5.0
299.93933	0.9
300.02780	1.5
385.18649	18.5
386.18988	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88099	0.4
55.01750	0.6
56.21337	0.4
57.03327	2.3
58.00460	1.2
59.01253	100.0
60.01598	0.6
69.63747	2.9
70.99110	0.4
71.01257	17.1
72.99191	1.2
73.02801	0.7
75.00729	0.6
83.01278	0.6
83.04892	3.3
85.02820	3.3
87.00765	1.4
89.02320	28.7
90.02657	0.5
95.01268	1.1
96.50468	0.5
99.04414	0.9
101.02319	7.6
113.02338	8.4
119.03384	9.7
121.06567	0.4
122.59085	0.4
124.01600	0.7
125.02354	1.0
131.03423	1.7
138.03154	0.5
143.03413	2.9
149.02379	1.0
149.04436	2.3
151.03973	0.7
161.02414	1.4
161.04449	3.2
164.04745	1.1
176.04774	0.6
177.01804	0.5
177.05527	1.1
179.03493	2.9
179.05586	14.6
179.07077	2.2
180.05797	0.7
193.01399	0.6
194.05814	2.1
195.06592	0.9
203.07077	3.3
205.12305	0.5
209.08176	6.1
221.04611	1.3
221.08244	1.7
264.06482	1.3
265.07208	4.0
265.09766	0.5
283.08270	0.6
427.12357	4.8
445.13226	3.7
449.77124	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.0
57.03322	1.7
57.15324	0.5
58.00474	0.9
59.01250	100.0
60.01589	0.9
69.31953	5.0
71.01253	20.6
72.99196	1.5
73.02830	2.8
75.00732	0.5
83.01261	2.2
83.04894	0.4
85.02818	5.7
87.00768	0.7
89.02319	15.5
95.01274	1.5
97.86798	0.4
99.00744	1.4
101.02320	13.7
113.02321	7.1
119.03395	6.5
125.02332	1.2
137.02373	0.7
137.09613	1.1
138.22774	0.4
143.03394	1.2
149.04492	0.8
153.09166	1.6
159.02951	1.2
161.04459	10.1
163.11241	0.8
165.09163	1.3
177.05623	0.5
179.05536	5.2
187.11290	0.9
205.12384	1.5
206.12769	0.5
209.11774	1.1
223.13354	11.3
224.13753	0.7
235.13412	1.2
237.14989	1.3
247.13667	0.6
261.44583	0.5
265.14426	2.8
289.07278	0.7
307.15433	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87329	0.3
55.01735	0.3
58.00472	0.5
59.01254	13.0
60.11046	0.3
60.81340	0.3
67.58669	0.3
71.01260	5.6
71.59776	0.4
72.99168	0.6
73.02820	1.7
77.08552	0.4
83.01245	0.5
85.02835	1.3
87.00744	0.6
88.03924	0.4
89.02326	4.6
94.90874	0.3
99.00745	0.4
101.02332	5.3
103.59216	0.4
109.16360	0.4
112.45848	0.3
113.02335	3.0
115.00183	0.5
119.03376	1.5
121.02853	2.4
125.02356	0.4
133.05038	0.5
142.45891	0.3
143.03423	0.6
161.04504	1.6
179.05580	0.5
209.11780	100.0
210.12105	6.9
211.13489	0.6
235.08238	1.1
253.09271	10.7
254.09520	0.4
296.42435	0.4
313.07294	0.6
329.23511	1.8
357.06039	0.4
357.10046	0.4
385.22687	0.4
410.62674	0.4
445.11206	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90938	0.7
55.01744	0.7
59.01250	100.0
60.01583	1.3
69.03336	1.0
70.34718	3.1
71.01254	14.0
72.71162	0.7
73.02811	6.9
75.00734	1.1
83.01265	1.4
84.11835	0.8
85.02814	4.0
87.00728	0.9
89.02308	3.7
95.01249	1.2
101.02322	7.4
106.06511	1.1
107.06791	0.8
113.02355	4.0
119.03520	0.8
123.08138	0.9
125.02349	1.9
161.04405	5.1
169.01331	1.7
177.05563	0.8
179.10669	2.3
179.14432	0.9
183.02974	0.9
183.04459	1.6
197.05940	1.1
205.12167	1.5
223.09697	3.2
223.13361	2.1
225.05557	4.5
226.06100	1.3
227.03481	2.1
241.08662	14.9
255.02914	6.7
261.59540	0.9
271.02490	1.5
283.02475	10.8
284.03220	2.2
285.03955	3.7
291.05060	1.0
300.02835	1.9
403.19760	1.3
445.08185	3.5
445.20752	14.7
446.08289	0.9
446.21255	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.6
59.01250	100.0
63.26611	0.5
67.05409	1.3
69.24233	6.3
71.01250	6.1
71.04875	1.0
72.99180	0.8
73.02824	1.1
75.00736	0.8
83.01261	0.9
85.02814	2.9
87.00758	5.1
89.02316	2.9
89.04760	0.5
89.10167	0.5
98.20539	1.4
101.02319	3.1
107.04935	0.8
113.02328	4.3
119.03426	1.3
121.02938	0.7
124.05202	0.7
125.02328	1.6
130.31737	0.5
135.04422	1.0
135.11679	3.2
136.01608	3.2
137.02382	1.1
143.04596	1.1
151.00325	2.2
151.03903	4.5
153.01840	0.6
159.11633	0.6
160.41742	0.6
161.04535	0.7
161.09668	2.5
169.01294	0.7
179.10692	56.0
180.11017	3.7
195.10262	1.2
197.11826	0.7
203.10785	0.7
218.94365	0.6
221.11792	1.3
223.09682	10.9
239.03482	0.8
239.12943	1.9
240.96970	0.6
241.10780	0.9
243.02991	0.8
249.06113	0.8
255.03020	1.8
259.14514	0.5
265.10873	1.6
267.07352	2.2
271.02435	4.7
283.06363	1.6
283.11865	17.3
284.12228	1.3
287.05664	0.7
299.02106	1.4
300.02655	7.1
301.03497	9.2
306.07870	0.8
357.13516	1.7
385.15506	0.7
445.08096	2.2
445.17041	2.4
455.79910	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58459	0.3
55.11240	0.2
57.03307	0.7
57.20155	0.2
59.01253	13.5
63.42046	0.2
71.00905	0.3
71.01258	4.5
71.59300	0.3
72.99176	0.6
73.02793	0.8
75.00703	0.4
83.01228	0.3
85.02828	1.9
87.00726	0.4
88.03908	2.8
89.02319	2.7
97.02791	0.3
99.00772	0.4
101.02341	2.1
113.02336	1.3
115.00240	1.0
119.03406	1.3
121.02823	0.4
125.02311	0.9
132.02919	1.5
134.03647	0.3
161.04422	0.8
165.09157	0.3
180.05670	0.5
181.06543	2.3
183.04427	0.7
191.01878	0.3
197.06029	1.6
198.06770	1.2
209.06046	0.4
209.11745	2.6
223.13277	0.3
225.05525	44.8
226.06155	8.5
227.06627	0.6
241.08669	100.0
242.08995	7.8
253.09148	0.4
265.18317	0.3
280.24588	0.3
327.21768	0.6
340.13925	0.7
385.12955	1.2
385.18771	0.3
403.14236	0.4
427.23453	0.4
445.15302	0.5
445.24442	7.4
446.21722	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	445.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	29.0
61.20932	6.8
65.70624	6.4
71.01254	89.7
71.56734	10.5
71.57100	9.2
72.23643	8.9
73.02819	28.1
83.01231	7.8
85.02818	35.7
89.02315	8.5
95.58292	7.6
99.00729	23.3
101.02313	39.6
107.04904	100.0
113.02319	34.6
151.03926	15.6
161.04449	79.0
169.01291	11.4
177.34935	8.5
212.44057	8.6
223.14354	8.9
396.86545	7.9
401.14453	44.1
445.13431	57.3
446.14093	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	445.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78732	0.2
59.01253	0.8
68.65206	0.3
69.16279	0.2
71.37659	0.5
89.02314	0.7
90.58866	0.2
99.00785	0.2
107.19968	0.3
111.02380	0.3
132.02046	3.5
133.02470	0.3
148.01645	0.3
180.93298	0.3
181.06505	0.6
195.04449	1.1
196.05156	0.4
198.06905	0.3
211.03966	1.8
212.04652	0.6
223.04013	2.2
224.04747	5.2
225.05510	9.2
226.06294	1.9
239.03464	5.7
240.04266	3.3
241.04654	0.6
241.08675	19.2
242.08954	1.4
251.03477	1.2
254.05745	0.8
258.75577	0.3
267.02982	15.8
268.03748	45.3
269.04074	3.3
282.05356	2.7
283.06110	100.0
284.06454	8.5
382.18466	0.2
445.11304	19.7
446.11536	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	445.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67691	0.1
53.74460	0.2
57.33746	0.1
59.01256	1.0
61.04544	0.2
65.03836	2.8
67.01756	0.4
70.27671	0.4
70.28046	0.2
71.01247	0.3
73.02833	0.2
78.95741	0.2
88.65978	0.2
89.99454	0.2
91.01766	3.3
96.95888	0.8
98.19875	0.2
107.01314	0.2
107.41522	0.2
108.02070	0.9
109.02840	11.2
110.03223	0.3
121.02826	1.5
122.03631	6.6
124.01629	0.2
135.00780	3.0
136.01538	0.5
149.02348	0.8
150.03131	11.3
151.03510	0.4
153.01846	2.3
155.08574	0.4
157.06564	0.2
160.36209	0.2
163.03906	1.6
163.37527	0.2
179.08539	0.2
192.23409	0.1
195.72102	0.2
197.09654	2.7
198.10083	0.2
199.07584	0.5
209.11688	0.3
223.07614	0.8
225.09171	0.7
237.09059	0.2
241.08672	100.0
242.09004	8.6
244.72371	0.2
253.08723	0.7
255.10133	0.8
265.08762	0.4
283.09735	2.2
445.14587	0.4
445.23608	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1139
Annotation	Sissotrine
Peak:m/z	Relative Intensity
50.74530	0.3
59.01249	2.8
61.55776	0.2
71.01250	1.1
71.11970	0.8
72.99166	0.5
73.02801	0.5
75.00736	0.5
83.01212	0.3
83.19170	0.3
85.02824	0.6
85.03962	0.4
89.02306	0.4
101.02309	0.5
106.59872	0.2
107.01269	0.5
108.02039	0.6
113.02328	0.5
121.02870	0.4
125.02350	0.4
126.36935	0.3
127.10107	0.3
128.03424	1.0
132.02066	4.2
135.04436	0.3
137.02304	0.3
148.01608	0.5
151.00270	1.8
153.01895	0.4
157.06067	0.4
169.01279	0.8
178.99794	1.0
194.24643	0.3
195.04503	0.6
199.71490	0.3
211.03972	2.0
212.04727	0.9
223.04015	2.3
223.07509	0.5
224.04726	5.5
225.05258	0.3
227.03452	0.3
239.03415	4.2
240.04247	3.6
243.02945	1.2
251.03487	1.7
255.02977	2.6
256.03525	0.7
267.02972	16.3
268.03754	44.8
269.04129	2.6
271.02493	4.8
272.03015	0.6
283.06110	100.0
284.06442	7.6
299.02002	0.4
300.02737	6.2
301.03497	7.7
302.03781	0.8
320.09232	1.2
445.07272	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	445.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	38.6
64.88854	2.9
70.40343	10.2
71.01232	6.9
75.00745	48.5
89.02293	8.1
92.23173	3.0
97.04501	2.5
101.02314	5.3
103.00253	100.0
130.32303	2.8
134.62036	3.7
134.75444	2.8
153.97391	3.3
212.66071	2.9
214.57764	3.1
219.54697	2.7
276.48880	3.2
299.00983	3.0
341.10724	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	445.1139
Annotation	Sissotrine
Peak:m/z	Relative Intensity
59.01275	0.5
70.12701	0.3
79.07602	0.2
105.05959	0.2
105.78735	0.2
126.24442	0.3
132.02068	4.2
181.06590	0.3
195.04401	1.3
197.06003	0.2
211.03903	1.9
212.04623	0.5
223.03899	2.1
224.04741	5.4
225.05502	4.6
226.06267	0.7
239.03461	6.2
240.04160	3.7
241.04903	0.4
241.08687	10.0
242.09006	0.5
251.03423	1.4
252.03891	0.3
254.05791	1.4
267.00632	0.3
267.02960	16.8
268.03754	44.9
269.04074	3.8
282.05270	2.2
283.06107	100.0
284.06451	7.0
304.53275	0.3
368.13956	0.3
445.11313	20.9
446.11725	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	445.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07668	0.2
59.01246	3.0
61.49324	0.2
71.01247	0.6
71.57658	0.4
89.02301	0.3
121.02834	0.6
123.73729	0.2
132.02057	2.9
135.00772	0.6
151.00233	0.7
153.01770	0.5
167.04994	0.3
180.05760	0.4
184.05249	0.4
195.04433	0.6
196.05273	0.7
198.65146	0.2
211.03955	2.4
212.04633	0.9
222.18883	0.2
223.03995	1.8
224.04709	2.9
225.05176	0.4
226.02734	1.2
226.04611	0.2
239.03461	6.3
240.04234	3.1
241.04637	0.4
252.04268	1.3
258.98718	0.3
267.02966	7.9
268.03751	64.1
269.04080	4.4
282.05295	0.6
283.06104	100.0
284.06433	7.7
285.07767	0.3
297.07660	0.4
305.08069	0.6
325.07043	0.9
349.07126	0.3
373.07419	0.3
375.08127	0.2
414.07355	0.5
445.09286	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2802
Annotation	Foetidinol
Peak:m/z	Relative Intensity
58.90884	1.3
62.75156	1.1
69.71601	8.9
75.84760	1.0
85.81075	1.2
125.06007	2.0
151.03908	2.1
166.02612	2.2
209.53531	1.2
220.10907	1.8
221.08156	1.9
222.08926	10.3
223.09554	1.4
233.08098	9.3
235.09723	31.8
236.10225	4.2
247.09682	8.0
248.10471	8.9
261.11258	2.9
268.33856	1.2
303.15964	11.0
317.17499	7.6
374.21106	8.5
399.28940	4.5
443.28024	100.0
444.28394	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	444.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14027	0.2
52.45023	0.3
55.01772	0.3
55.62888	0.3
57.03320	0.9
58.00461	0.4
59.01252	11.0
60.01577	0.3
65.74451	0.3
67.01762	0.4
68.99699	0.7
69.03336	0.7
69.68538	1.3
69.68947	0.4
71.01254	8.3
72.99181	3.4
73.02812	0.7
73.96357	0.3
75.00750	9.0
78.95782	0.4
81.03334	0.5
83.01228	0.7
83.04880	0.6
84.02067	0.3
85.02827	7.5
87.00745	3.2
89.02328	3.0
91.03885	0.4
93.03339	0.6
95.01273	1.7
97.02839	0.3
99.00761	4.8
101.02318	1.0
103.00273	0.6
106.06509	100.0
107.06849	3.5
110.89719	0.3
111.00766	0.8
113.02332	8.7
115.00251	0.8
117.01841	1.0
125.02363	0.3
129.01843	0.9
130.36247	0.3
135.02893	6.1
136.03212	1.5
139.00246	0.3
139.03981	0.3
150.05516	58.6
151.05887	2.3
152.01143	0.3
157.01364	0.3
161.04532	0.5
163.11357	0.3
175.02422	1.1
189.04021	0.4
194.04526	23.9
195.04787	1.1
209.11774	7.3
209.13759	0.4
224.09290	1.0
231.05051	1.1
248.46722	0.3
249.06136	17.0
250.06517	1.1
253.09261	0.8
267.07196	5.3
268.08176	0.8
271.02536	1.2
285.03943	0.4
296.99371	0.3
299.02017	0.7
300.02710	1.6
301.03381	0.6
321.90460	0.3
340.10159	0.4
341.10245	0.3
382.11508	1.0
400.12469	21.0
401.12708	1.9
419.83728	0.3
426.10406	0.9
444.11469	34.7
445.12228	3.9
458.18857	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45452	2.4
63.78468	1.9
66.63088	2.3
68.30354	2.3
70.08317	12.1
73.60670	2.3
113.72574	2.4
125.05965	5.5
131.43513	2.1
131.79858	2.3
134.14757	2.7
151.03894	11.3
180.04164	5.9
191.10699	2.2
218.03714	2.8
221.08060	5.7
235.09721	82.4
236.10431	16.6
247.09721	11.7
249.11327	12.4
261.11383	4.1
304.00937	2.1
403.39465	2.6
443.28006	100.0
444.28525	17.7
457.40887	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	443.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
66.34985	4.1
71.57833	7.5
99.69917	3.9
119.38605	4.1
151.03937	12.8
180.04176	10.9
195.83710	4.9
220.13516	4.3
235.09709	70.8
236.10376	16.0
249.11298	5.6
264.76105	4.3
441.43866	4.7
443.28015	100.0
444.28403	17.2
459.98047	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	443.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63093	1.1
69.93745	3.2
69.94144	2.3
117.97330	1.3
123.04430	1.4
125.05965	4.9
151.03938	8.4
179.03346	2.0
180.04231	8.0
181.07727	1.1
191.10616	1.6
207.10219	3.0
217.08607	3.4
219.10179	1.7
221.08147	6.4
222.08809	2.4
222.38185	1.2
230.62364	1.6
235.09718	87.8
236.10439	27.5
237.10904	1.8
247.09732	5.4
249.11263	5.2
261.11453	1.4
323.14639	1.7
335.32513	1.3
399.29117	1.3
443.27988	100.0
444.28424	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	443.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61381	1.3
56.72812	1.1
59.01253	100.0
66.26493	1.1
66.69337	1.2
70.03214	5.0
74.85964	1.2
82.62111	1.1
99.53990	1.3
109.06477	3.4
111.08016	1.4
134.40691	1.2
163.11229	1.4
171.10225	1.3
178.13083	1.2
194.78944	1.1
197.11789	3.7
201.15706	1.7
207.10234	5.0
291.19681	2.9
308.36835	1.4
309.20535	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01596	1.2
61.98709	1.3
69.95265	4.3
78.03223	0.9
78.67300	1.1
88.08195	0.9
91.03872	2.0
96.95882	5.2
109.06521	1.3
111.08068	1.1
121.02840	3.6
197.11751	5.1
207.10161	1.5
262.44904	1.1
287.75348	0.9
290.76517	0.9
291.19647	3.1
309.20737	7.3
311.22171	2.1
344.62302	1.2
401.57761	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01596	1.2
61.98709	1.3
69.95265	4.3
78.03223	0.9
78.67300	1.1
88.08195	0.9
91.03872	2.0
96.95882	5.2
109.06521	1.3
111.08068	1.1
121.02840	3.6
197.11751	5.1
207.10161	1.5
262.44904	1.1
287.75348	0.9
290.76517	0.9
291.19647	3.1
309.20737	7.3
311.22171	2.1
344.62302	1.2
401.57761	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05513	0.5
63.70423	0.5
67.26639	0.5
71.58705	0.7
74.73754	0.5
74.98949	0.5
92.99989	0.7
144.55168	0.5
153.00343	0.6
159.08385	3.7
161.06357	1.5
162.59373	0.5
217.07176	1.3
275.05850	0.6
277.07553	2.0
282.57800	0.5
293.06927	0.7
297.56424	0.5
345.13507	1.2
357.13837	2.1
359.15344	100.0
360.15494	13.0
377.16370	1.7
425.20190	0.8
427.21597	51.8
428.21719	7.7
443.24710	5.4
462.24933	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75794	1.6
59.01250	100.0
65.93683	1.4
78.95791	2.3
85.76169	1.4
93.36958	1.3
98.20168	9.0
107.98061	1.3
127.33659	1.3
152.99504	1.7
172.86627	1.5
217.00282	1.2
223.94543	1.7
291.19818	2.2
309.20673	3.7
340.73837	1.6
385.50055	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1924
Annotation	Dendromoniliside C
Peak:m/z	Relative Intensity
51.00961	7.9
57.03338	12.2
59.01258	41.9
69.42402	80.5
71.01261	26.5
73.02834	10.3
80.83743	7.8
83.04904	9.7
85.02835	15.5
87.00759	18.9
89.02332	12.6
91.43993	7.8
99.86948	7.7
101.02312	16.8
107.04890	8.6
107.26742	9.0
113.02328	9.5
117.35566	9.4
123.08029	15.9
125.06007	9.6
149.02376	18.2
151.03970	9.1
171.11662	23.3
189.12758	9.5
205.08553	11.0
211.09146	9.2
211.82802	8.6
216.12048	8.5
237.14948	16.0
249.11391	15.0
281.13974	100.0
282.14331	12.3
294.76566	8.1
305.14130	14.9
312.00394	9.6
443.19073	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	443.1922
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
57.03335	3.2
59.01250	38.7
63.99003	2.0
69.33125	2.3
69.88065	3.2
69.88476	10.9
71.01241	28.2
72.99187	4.7
73.02802	4.7
83.01254	3.7
85.02821	11.7
87.00738	3.0
88.21136	2.0
89.02309	19.8
94.17953	2.3
95.01227	3.0
99.00778	3.2
101.02322	19.3
107.12608	1.9
110.40283	1.9
111.04411	2.3
113.02328	12.6
119.03384	8.5
130.14529	2.1
149.04430	2.9
193.04964	2.8
249.11270	3.6
267.07156	3.8
267.12427	2.6
281.13919	7.9
362.57800	2.5
393.47739	2.2
443.13315	3.6
443.19199	100.0
444.19626	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	443.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85308	0.8
54.86361	0.9
59.01244	10.2
65.00195	1.0
69.26953	10.0
71.01239	2.6
81.03319	5.6
85.06464	1.8
87.04407	1.0
89.02316	2.1
95.04883	0.9
96.00780	1.1
96.05605	0.8
98.19844	1.9
101.02330	1.2
101.56412	0.8
109.06453	3.5
111.04405	4.8
118.97498	0.8
125.02321	5.9
133.01239	1.1
136.05185	1.4
149.02306	1.1
149.09544	1.2
151.00272	1.2
151.07545	36.4
152.07883	1.2
161.05919	0.9
163.07544	1.0
165.05460	0.9
179.06975	1.5
195.06557	100.0
196.06927	4.8
196.08430	0.9
201.05510	0.9
209.08173	2.6
219.06581	22.6
220.06906	1.6
237.07635	8.7
249.07669	2.3
333.23093	0.8
394.82382	1.0
399.12982	12.2
400.13605	0.9
443.29916	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86700	0.8
55.01760	1.6
57.03319	3.3
57.30542	0.8
59.01253	42.0
59.52121	0.7
61.98686	1.3
67.01766	1.4
68.99680	2.2
69.03316	2.2
69.44537	2.3
69.44962	6.4
71.00848	0.8
71.01254	26.2
72.99174	8.4
73.02824	5.6
75.00746	19.8
83.01260	2.6
85.02823	30.6
87.00761	12.1
88.90035	0.8
89.02310	10.4
89.03843	1.3
91.03895	1.1
93.03341	1.3
95.01261	8.3
96.95923	0.9
97.02858	0.7
97.06480	1.7
99.00755	13.1
101.02334	4.2
102.51149	1.1
103.00253	2.8
108.02035	1.2
109.02810	1.5
111.00779	2.3
113.02334	36.9
115.00246	2.4
117.01836	4.2
117.03346	6.6
121.02842	2.4
122.03632	2.4
123.00779	0.9
125.02357	7.7
129.01848	3.7
131.03366	2.1
132.02155	1.0
133.02805	1.7
134.03635	100.0
135.04495	9.4
136.01585	5.8
137.02328	2.6
139.00298	2.2
149.00824	3.1
149.04456	18.6
149.05980	6.3
151.03999	0.9
157.01393	2.1
160.01567	6.7
161.02335	3.4
161.04462	0.9
163.07558	11.4
165.03961	2.2
165.05402	1.3
169.01341	2.9
175.02341	2.6
175.03867	11.3
177.09062	1.4
179.03436	1.9
193.05003	43.6
193.08705	1.3
194.05339	2.4
207.06792	1.3
221.08156	2.5
231.05034	1.7
231.10263	5.1
232.10605	1.0
233.08035	0.9
249.06123	32.1
252.06332	1.6
253.07034	1.3
267.07156	89.1
268.07620	3.3
293.10379	1.1
311.11285	6.8
381.11774	1.1
383.09799	1.4
425.10770	4.5
443.11932	61.0
444.12354	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	443.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69405	1.4
57.03318	2.3
59.01253	26.9
63.24751	1.5
68.99682	2.1
69.03335	1.7
69.29077	3.9
69.29494	12.1
71.01250	20.6
72.99171	4.5
73.02819	5.5
75.00752	14.5
85.02822	19.8
87.00759	9.1
89.02310	13.5
93.47134	1.5
95.01278	3.1
98.20564	3.1
99.00783	9.0
101.02338	2.5
103.00256	3.5
108.02027	1.6
109.02821	1.9
113.02319	26.3
117.01839	1.7
117.03356	4.0
122.03639	7.9
129.01801	2.4
131.03392	2.9
133.02780	1.7
134.03641	53.3
135.04230	1.3
149.04469	58.7
149.05824	3.3
160.01520	5.8
161.02376	3.1
163.07558	31.0
165.03929	6.5
171.61472	1.5
172.79707	1.7
175.02487	2.6
175.03903	8.5
193.05006	31.3
206.13359	1.4
207.06700	3.3
249.06128	35.1
253.07108	2.6
267.07144	100.0
268.07516	4.5
281.10117	1.7
322.70572	1.7
381.11938	2.1
411.09213	2.1
425.10767	5.7
443.11868	68.0
444.12332	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	443.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	4.6
57.79689	1.5
58.00455	1.5
59.01246	22.8
67.01736	2.4
70.36570	7.5
71.01263	30.4
72.99193	7.6
73.02811	2.2
75.00747	23.6
85.02824	27.6
87.00762	10.9
89.02338	8.5
89.02813	2.1
95.01254	4.5
99.00771	12.8
113.02332	32.4
115.00246	2.7
117.01833	3.3
117.03356	10.7
122.03638	1.9
129.01836	1.8
131.03415	1.7
133.02797	2.2
134.03632	88.4
135.04326	3.6
149.03461	1.5
149.04446	12.2
149.05847	4.0
160.01607	8.4
161.02309	3.2
163.07568	5.0
175.02492	3.2
175.03941	10.1
179.03410	2.0
181.10066	1.6
193.05005	37.7
194.05382	1.7
207.05009	2.0
231.05092	2.4
237.14862	2.1
249.06122	36.0
252.06412	2.3
267.07150	100.0
268.07544	5.3
281.13928	1.8
292.36780	1.9
419.04623	1.8
425.11099	4.0
428.18689	2.0
443.11932	74.8
444.12405	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	441.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
64.54050	2.4
66.75807	2.3
68.68866	2.3
69.53890	18.5
71.38085	2.2
88.66319	2.5
99.33875	2.2
217.00252	4.1
225.91364	2.5
289.18195	4.3
307.19116	4.6
359.01492	3.5
394.49261	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	443.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.5
70.71616	2.5
71.01226	0.7
132.02101	2.8
143.04959	1.0
155.04884	2.0
167.05005	2.0
183.04430	3.7
186.95700	0.7
195.04454	16.9
196.04898	1.1
210.03122	1.0
210.06874	1.0
211.03941	13.9
223.03967	2.8
224.04688	1.4
238.02756	1.3
239.03476	48.4
240.03922	5.4
251.03357	1.4
253.05058	1.2
254.05827	24.5
255.06290	1.7
266.02142	1.6
267.02979	15.0
268.03748	18.1
269.04114	1.3
281.04678	1.2
282.05344	100.0
283.06049	37.8
284.06512	2.2
292.03934	1.1
307.06134	6.1
390.12173	0.8
411.08899	0.9
428.09103	0.9
443.11279	11.3
444.11700	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25669	0.3
55.01757	3.5
55.88787	0.3
56.67668	0.3
57.03315	0.8
59.01251	21.7
61.48802	0.4
71.01250	5.2
71.57178	0.7
72.99177	1.5
73.02814	1.6
73.88188	0.3
75.00745	46.4
76.01094	0.7
76.40047	0.3
77.15284	0.3
77.27641	0.3
83.01244	0.8
84.88902	0.3
85.02829	2.2
87.00734	0.7
89.02309	1.8
89.24302	0.3
96.95885	0.4
99.00782	1.3
101.02328	3.0
103.00262	1.5
106.04140	0.4
108.02065	0.6
113.02315	1.2
117.01825	1.0
125.02299	0.8
129.01825	9.2
147.02867	2.9
147.08095	2.4
149.05998	0.9
161.04457	1.1
165.03955	100.0
166.04248	2.4
167.03412	0.5
191.07083	1.0
207.05000	1.3
209.08122	0.9
251.09189	0.5
258.51657	0.3
265.95898	0.4
269.10214	1.8
401.14557	3.5
443.15594	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40744	0.4
51.78026	0.5
54.17469	0.5
55.01763	3.2
55.08293	0.4
57.03327	1.0
59.01256	27.3
69.72330	2.2
69.72742	1.1
71.01246	5.2
72.99172	1.9
73.02826	15.0
75.00763	0.8
85.02819	1.1
87.00766	2.7
89.02325	18.9
90.02658	0.6
99.04399	1.0
101.02328	2.3
103.00263	1.9
103.03905	1.6
109.02841	2.7
113.02332	0.7
116.95891	0.5
121.02844	1.8
122.03639	10.7
124.01591	1.3
125.02370	0.9
129.01898	0.6
131.03412	10.2
134.03639	9.9
135.04407	2.0
136.01585	1.8
137.02339	3.2
139.00249	0.5
145.02887	0.5
147.04433	0.9
149.00836	1.3
149.04472	100.0
150.04803	2.7
151.03882	1.5
154.02609	1.6
163.07570	40.4
164.07919	1.5
165.03964	2.3
165.05504	3.5
176.04646	0.5
177.25273	0.5
191.05588	0.9
195.02975	0.5
207.06598	3.0
219.03050	0.6
225.07663	1.8
231.10258	1.7
250.11360	0.5
267.08710	1.8
285.95071	0.4
293.10376	0.8
311.11417	4.0
443.11789	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	441.1895
Annotation	Exiguaflavanone M
Peak:m/z	Relative Intensity
59.01247	41.4
69.81879	82.7
71.01266	38.9
72.99178	31.4
73.02791	13.8
75.00736	22.3
75.90914	11.8
85.02831	29.6
88.41495	13.9
111.00760	17.0
125.02291	30.1
139.00226	15.3
149.00824	18.8
169.01343	25.2
202.43405	15.8
205.03442	15.4
231.79736	13.1
441.19055	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2494
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
59.01250	100.0
60.01596	0.5
71.01254	4.8
73.02819	3.5
78.95792	0.4
83.01279	0.7
85.02824	0.8
89.02345	1.7
89.03348	0.4
96.95805	0.4
101.02328	4.3
113.02341	2.0
119.03373	0.6
131.03412	0.6
137.02385	0.5
168.25526	0.4
169.01369	0.6
278.22150	0.4
295.31509	0.4
344.68903	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97763	0.2
55.01737	0.3
59.01253	100.0
60.01600	0.9
69.42667	2.4
71.01257	7.1
72.99173	0.4
73.02826	3.5
75.00777	0.3
78.95808	0.3
79.10547	0.2
83.01260	1.8
85.02818	1.4
89.02319	3.2
91.96008	0.3
95.01296	0.6
97.78799	0.3
101.02329	5.5
113.02319	3.3
115.28124	0.3
119.03401	1.6
120.60811	0.3
121.02882	0.4
121.34808	0.3
125.02367	1.1
143.03424	0.3
161.04498	1.0
169.01315	0.7
179.05540	0.4
217.00385	0.6
399.19885	0.3
399.24463	0.6
441.21497	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40813	1.0
55.01750	1.8
57.03313	3.3
58.00457	3.7
58.35601	1.0
59.01251	100.0
67.01739	1.5
71.01253	53.5
72.99178	4.1
73.02810	4.5
81.03358	1.1
83.01237	5.0
85.02813	13.1
87.00766	2.6
89.02318	57.5
90.02674	1.1
93.63797	0.8
95.01265	4.5
97.02827	3.2
99.00780	1.9
101.02325	38.2
107.04935	1.7
109.02831	10.8
113.02335	21.4
114.02695	1.1
119.03386	25.6
122.03635	1.9
123.04414	2.8
124.05219	1.7
125.02340	25.5
131.03410	2.2
133.06477	14.1
134.06848	1.8
137.02327	3.3
137.05997	1.8
139.07541	16.8
143.03413	2.8
145.02834	1.1
149.04448	2.2
149.05937	4.5
151.03906	1.8
151.07570	1.9
159.04497	1.0
161.04465	7.9
165.01830	1.0
169.01329	30.2
178.02187	1.0
179.05528	3.7
187.11102	1.5
193.01338	1.4
203.07092	2.2
204.11537	1.1
205.12296	5.1
209.06140	1.0
217.12314	2.9
229.60716	1.2
235.13284	1.9
241.34920	0.9
245.08226	2.8
261.11462	1.6
271.06244	1.2
289.07156	9.4
290.07233	1.0
330.13208	22.5
331.13934	14.6
393.66840	1.2
397.18674	5.7
441.17667	59.3
442.18021	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	441.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91241	0.7
57.03334	1.3
57.92745	0.7
59.01252	57.3
69.03366	0.8
71.01247	6.7
71.58900	1.4
72.99187	2.1
73.02808	1.6
74.01765	0.7
75.00736	4.2
83.01254	1.3
85.02822	5.3
87.00749	1.8
89.02314	1.7
95.01266	2.0
97.02842	0.8
99.00756	2.7
101.02328	1.7
107.01269	0.7
107.50335	0.6
109.02819	1.4
113.02326	5.3
113.73633	0.7
119.03426	0.7
121.02827	3.1
123.00753	1.5
125.02325	4.6
135.00847	0.8
135.04424	4.9
137.02312	1.4
149.02353	10.0
163.07547	2.3
164.04695	10.0
169.01321	3.2
169.08018	0.6
196.02031	1.0
196.03740	11.0
205.05260	0.7
206.13022	0.8
219.10214	100.0
220.10573	5.9
236.14137	1.7
242.05847	1.1
249.06224	1.5
250.72557	0.7
265.26553	0.8
286.13196	0.8
295.22842	0.8
316.15317	5.4
316.65475	1.6
319.24170	0.8
405.11606	1.0
441.08047	0.8
441.17700	7.1
441.68900	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25349	0.3
57.03321	2.6
59.01256	6.3
61.13402	0.3
66.44429	0.3
68.99681	0.3
69.03324	2.4
69.54765	3.1
71.01259	3.4
72.99185	0.7
78.14608	0.3
81.03349	1.5
83.01289	2.2
84.82385	0.4
85.02831	1.0
89.02312	3.7
93.03352	0.6
95.01279	1.0
95.04912	1.1
97.02828	4.3
98.19743	0.6
101.02350	2.7
107.01269	2.0
107.04918	0.5
108.02068	0.5
109.02839	11.5
110.03195	0.5
111.00770	1.3
111.04349	0.4
113.02313	0.9
119.03400	1.1
121.02834	1.2
123.00772	1.7
123.04420	5.7
124.01551	1.0
125.02345	70.3
126.02660	1.4
127.00251	0.5
133.06509	1.0
135.04382	0.9
137.01372	0.8
137.02356	8.6
138.03088	0.5
139.00266	0.9
139.03896	1.4
139.07549	1.1
140.01068	1.4
145.02835	2.2
146.03638	0.4
149.02350	2.9
150.03090	1.1
151.03922	5.0
153.01848	0.3
159.04463	2.0
160.05222	0.7
161.02330	0.6
161.04720	0.5
161.06003	2.8
162.03081	0.8
164.01074	1.5
165.01842	1.8
166.02216	0.4
166.99837	1.8
167.03392	0.6
168.00597	2.7
169.01344	100.0
170.01678	3.3
173.06018	0.7
175.03947	1.3
175.07559	0.9
179.03444	2.3
183.04474	0.6
185.05991	1.1
187.03949	2.6
188.04701	1.0
193.01366	5.9
201.05502	0.5
202.06235	1.1
203.07065	5.7
205.01263	0.8
205.04964	3.4
209.06013	0.5
221.08119	1.3
227.07082	1.0
231.02896	0.4
245.04343	0.5
245.08142	5.6
253.04927	0.9
253.19470	0.5
259.06052	1.0
271.06122	4.0
272.06363	0.6
287.05701	0.7
289.07193	34.3
290.07468	2.3
303.05133	2.0
330.13174	1.5
331.04620	2.2
331.13965	0.4
441.08478	3.1
441.17664	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	439.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	2.7
57.03329	7.9
58.40742	0.9
59.00990	1.4
59.01257	17.0
61.80947	0.9
63.22997	0.9
63.38078	0.9
67.01735	1.2
68.85139	0.9
69.03316	0.9
69.32721	4.9
69.33138	4.8
71.01260	30.3
72.99187	8.2
73.02835	5.4
75.00754	36.8
77.44150	0.9
79.03793	1.0
83.01260	3.5
85.02827	41.1
86.03120	1.3
87.00762	17.0
89.02324	2.3
95.01250	3.0
96.95946	1.2
98.20499	1.9
99.00771	13.7
101.02327	9.8
103.00240	1.5
109.02814	2.0
109.20142	1.0
112.01591	1.4
113.02335	34.6
114.02625	1.2
115.00262	2.4
117.01817	2.3
119.04953	1.7
123.04419	0.9
125.02350	15.6
129.01837	1.5
137.02322	3.0
147.00742	1.2
149.00836	21.7
149.02121	1.5
150.03102	2.7
151.03915	3.8
153.01846	1.2
153.05502	1.1
157.01346	1.4
157.39555	1.0
160.66991	1.1
161.02379	1.8
161.04436	1.2
165.05511	2.6
168.04248	1.5
169.01390	1.4
173.04506	1.3
173.05971	1.2
175.02397	3.1
187.07549	8.2
194.98958	1.1
201.05460	1.2
202.06351	2.4
213.09055	1.2
231.10243	1.8
263.12744	2.8
263.15073	3.9
289.07321	1.4
301.03662	1.6
307.11880	6.2
317.10056	2.4
379.16196	1.2
418.13083	1.2
439.18198	100.0
440.18582	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	439.1975
Annotation	Garajonone
Peak:m/z	Relative Intensity
55.01754	0.6
57.03319	0.6
58.00473	0.6
59.01253	19.2
60.01573	0.5
64.27927	0.3
69.39039	0.3
70.16491	1.6
71.01257	9.6
72.99179	0.9
73.02817	0.8
75.00723	0.3
83.01270	1.3
85.02825	4.1
87.00761	2.3
89.02323	8.2
95.01278	0.8
97.06446	2.3
98.12532	0.3
99.00767	0.5
101.02325	7.7
103.00253	0.6
111.00764	0.6
112.98669	0.8
113.02341	3.6
119.03411	3.2
119.04935	1.2
133.02858	0.8
134.03635	4.0
135.04399	1.4
137.02370	0.5
143.03421	0.4
143.04926	0.5
146.03635	1.2
147.04436	3.1
149.04462	1.1
159.04436	5.4
161.02376	0.9
161.05997	4.4
162.06639	0.6
163.03926	1.5
171.04384	0.8
172.05162	0.4
173.06006	0.8
174.03134	0.6
174.06796	0.5
175.03940	4.6
175.07539	4.2
177.01830	0.4
178.02617	1.0
179.05582	0.7
185.06044	1.2
186.06819	4.2
187.04004	0.7
187.07573	4.3
188.04735	1.3
189.05515	5.9
189.09123	1.2
190.06223	0.7
202.06297	0.6
202.70555	0.4
203.07086	4.7
203.10768	1.2
204.07874	7.0
205.08443	0.8
207.24432	0.4
215.10706	1.0
221.11826	1.1
230.09473	2.2
231.10143	1.3
231.13904	0.6
233.11867	0.7
247.09792	0.5
248.10501	4.8
249.11130	0.9
249.14870	2.4
259.13361	2.2
277.14447	13.6
278.14728	0.7
307.11868	4.0
382.16330	0.4
410.15750	6.3
411.15796	0.6
411.20541	0.8
421.18701	1.4
439.19724	100.0
440.20102	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	439.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	2.7
57.03325	5.0
59.01252	71.2
67.87064	1.6
69.03306	2.3
70.04200	1.8
70.56078	1.7
70.91299	3.9
71.00887	3.1
71.01253	37.7
72.99176	5.3
73.02820	17.7
75.00705	1.9
81.03300	2.6
83.01267	16.7
85.02821	22.1
87.00754	5.1
89.02312	7.5
93.03344	3.3
95.01258	4.0
96.74172	1.5
97.02808	5.3
99.00755	5.4
101.02320	43.5
109.02847	3.0
111.00713	2.3
113.02329	16.9
114.03140	1.7
119.03377	2.2
119.04846	2.5
121.02827	4.0
122.03628	6.2
123.04395	2.7
125.02341	22.3
133.02859	2.1
137.02364	8.2
143.03409	6.1
149.01114	2.9
149.02330	18.5
149.04393	1.9
150.03139	42.7
151.03851	3.8
151.75404	1.6
159.02893	2.1
161.04474	12.6
163.00282	3.3
164.04688	4.0
165.01846	25.4
165.05495	53.3
169.01381	1.6
175.00165	2.0
179.03302	2.5
180.04199	23.7
181.04768	2.2
187.45125	2.0
191.03354	2.1
195.06570	100.0
196.06877	5.0
215.03485	1.9
229.04807	2.2
235.11848	39.6
236.12169	3.6
243.08676	4.0
245.08197	1.7
275.09277	2.2
277.12912	8.9
289.07230	7.8
294.11972	3.3
301.03461	5.5
331.11826	8.6
379.16061	7.6
391.14145	13.5
397.17136	45.4
398.17285	3.0
417.37189	2.2
439.17850	6.0
440.17700	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.4
57.03328	6.6
59.01258	13.9
68.65568	0.8
71.01257	27.8
71.59550	1.5
72.99169	5.3
73.02810	3.3
75.00311	0.9
75.00747	29.1
83.01252	3.5
85.02825	33.0
87.00758	9.3
89.02335	2.4
93.09145	0.9
95.01261	3.1
99.00755	11.6
101.01733	1.1
101.02320	7.7
112.01575	1.3
113.01524	1.4
113.02333	28.9
114.02654	1.4
115.00242	1.7
117.01864	1.5
125.02333	3.7
129.01779	1.5
149.00812	3.0
157.01323	1.3
161.04475	2.1
162.06174	0.8
168.00613	1.1
168.62262	0.9
175.02415	2.8
177.79094	0.8
178.66246	0.9
181.74393	1.0
263.15079	2.4
307.11938	1.0
313.05627	1.9
439.18188	100.0
440.18588	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	439.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	2.5
57.03318	8.1
58.00464	1.9
59.01252	100.0
69.03342	2.5
71.01258	58.8
71.59430	1.7
71.59803	2.7
72.99178	4.8
73.02821	21.5
75.00765	8.1
79.42028	1.9
81.03335	3.2
83.01259	18.7
85.02834	26.9
87.00764	9.1
89.02311	12.9
90.25234	1.9
95.01276	7.4
96.95820	1.8
97.02848	8.5
98.02339	2.1
99.00751	14.2
99.04427	2.2
100.67677	1.9
101.02326	67.2
109.02850	5.1
111.00761	4.2
113.02332	23.8
119.03399	6.3
119.04929	2.0
122.03623	2.7
123.04451	2.3
124.01551	1.9
125.02345	29.2
135.02892	2.6
137.02356	6.0
141.30673	2.0
143.03395	9.0
145.02835	2.3
145.08592	3.5
149.00816	9.3
149.02338	2.6
150.03149	6.2
151.03893	4.1
152.01193	2.2
153.01988	1.9
159.02869	1.9
161.02333	3.5
161.04460	15.1
162.63287	1.8
165.01816	4.9
165.05482	6.4
169.01294	2.1
177.01935	2.9
180.04184	3.5
187.07574	3.8
195.06522	11.7
229.05205	2.3
231.10350	2.8
235.11836	42.6
277.12909	9.9
285.03894	2.2
301.03445	3.4
307.14340	3.6
379.16217	7.9
397.12064	3.9
397.17145	55.0
398.17462	4.6
439.08054	2.0
439.18250	27.2
440.18582	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	439.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36359	1.7
57.03315	2.0
59.01256	27.2
69.29872	10.0
69.30298	7.6
71.01257	12.9
72.99164	2.6
73.02827	7.8
78.78702	1.6
83.01262	6.5
85.02814	8.1
87.00755	3.3
89.02319	3.0
93.03355	1.9
94.15517	2.0
95.01275	2.7
98.20547	3.3
99.00748	3.4
101.02323	15.5
109.02821	3.4
113.02313	5.9
121.02866	4.4
122.03674	4.0
124.46830	1.6
125.02349	22.0
137.02335	11.5
143.03424	2.0
149.01106	2.6
149.02341	18.7
150.03119	43.6
151.03883	4.6
159.02959	1.9
161.02325	2.5
161.04489	6.6
163.00258	2.8
163.03920	2.6
164.00822	1.5
164.04710	2.8
165.01842	26.9
165.05493	48.0
166.05745	3.0
180.04211	22.6
181.04759	2.3
195.06566	100.0
196.06856	4.5
207.64958	1.7
235.11824	14.7
243.08676	4.0
274.58633	1.6
275.09235	2.0
277.12955	2.5
289.07205	4.9
301.03741	7.7
301.06784	2.6
331.11874	10.9
379.15973	3.0
391.13956	15.6
397.17056	18.9
439.17456	6.2
440.16953	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00867	0.7
59.01254	20.2
71.01254	3.2
71.60370	1.2
72.99207	3.3
73.02843	0.8
75.00758	1.1
75.62206	0.7
83.01235	0.8
84.99190	1.2
85.02808	2.3
87.00751	17.0
89.02340	1.9
97.06485	6.4
101.02332	1.2
103.00259	6.5
104.14825	0.7
106.04119	1.3
109.02847	1.3
109.06105	0.6
112.98698	18.9
113.02311	1.3
119.04940	7.7
125.02339	1.3
130.99738	1.3
133.02875	7.1
134.03639	100.0
134.65013	0.8
135.04372	9.0
137.02364	3.0
146.08141	1.0
149.04434	1.6
150.03270	0.8
159.04517	1.1
161.02324	6.1
163.03934	6.2
175.07677	1.0
177.01866	8.1
178.02643	21.5
179.03314	2.3
187.03926	0.7
187.07652	1.6
203.07167	1.0
207.88460	0.8
217.01808	0.6
229.05013	0.7
231.10240	3.9
236.45763	0.7
249.04129	0.7
263.12943	1.0
275.09299	9.9
277.03574	2.1
291.16223	0.8
307.11874	75.0
308.12195	5.8
439.13504	1.2
439.19766	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	439.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07249	0.8
56.44998	0.8
57.03327	4.6
58.50550	0.8
59.01258	11.8
69.03340	1.1
71.01253	4.0
71.60175	1.4
72.99185	11.3
73.02817	1.4
73.97250	0.8
75.00752	2.6
83.01260	4.2
85.02827	4.7
87.00752	22.7
89.02317	2.7
93.03325	1.3
95.01263	1.7
96.95874	1.2
99.00684	1.1
101.02334	3.2
103.00250	4.6
105.01823	2.1
109.02847	8.2
112.98690	1.4
113.02348	3.3
119.04935	3.1
121.02825	1.5
123.00764	2.4
123.04397	2.9
125.02341	28.3
134.03604	1.0
135.04370	1.7
137.02361	19.0
138.02864	1.0
139.00334	1.0
142.36201	0.9
147.00809	4.5
147.04414	1.5
149.00830	100.0
150.01186	1.9
150.03065	1.5
151.00258	1.6
151.03899	2.3
158.03708	1.2
159.04434	4.6
161.02397	5.8
163.00272	10.6
163.03879	5.5
164.00862	1.5
165.01839	2.7
165.05557	1.4
169.01418	6.0
172.05234	3.6
173.02209	1.0
173.06009	6.5
175.00316	15.6
175.03922	1.7
175.07605	1.4
176.00967	2.2
177.01878	6.6
183.04428	1.6
187.03978	8.9
187.07585	29.7
188.04568	1.0
188.07928	1.9
189.01825	1.8
191.03429	5.1
199.03906	1.8
200.04744	0.9
201.05513	7.7
202.06284	12.8
211.03897	2.1
213.09099	3.6
215.03441	3.5
215.07127	4.6
216.07707	1.6
217.04906	1.0
227.03484	3.3
229.05025	3.7
231.10237	11.8
233.04515	1.7
243.02965	1.5
248.10556	1.8
251.03394	1.3
255.02913	5.0
257.04495	4.3
263.12915	16.4
269.04370	1.8
273.04056	4.5
275.09204	6.5
283.02658	1.3
285.04053	2.4
289.07251	1.8
295.02646	2.5
300.02756	3.1
301.03513	21.3
302.03922	2.4
307.08655	0.8
307.11880	24.7
308.12244	2.8
313.03510	6.0
335.05731	1.0
407.07681	3.5
408.07880	1.3
439.06729	23.9
439.17017	1.4
440.06747	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	439.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73614	0.2
69.86092	0.5
69.86499	0.5
78.95776	39.9
79.95609	0.3
96.95922	16.5
96.96838	100.0
100.83763	0.2
101.35064	0.2
120.23912	0.2
125.02337	2.9
135.02844	0.2
169.01338	0.6
287.07739	0.9
313.05673	0.4
439.08664	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	439.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44830	2.9
55.78370	3.0
55.78705	4.2
59.01245	9.5
70.43858	13.5
71.01245	3.8
96.95881	4.5
96.96837	4.8
107.34200	3.6
125.02384	5.3
137.02403	3.3
163.52371	3.0
165.32248	3.2
174.59763	3.2
186.57138	3.1
197.05945	4.5
225.05559	23.3
226.06212	7.1
236.57408	3.6
241.08673	100.0
242.08858	4.3
287.02185	3.7
327.51837	3.3
403.13782	6.4
407.86169	3.2
460.89661	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	439.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.8
59.01257	13.3
64.09161	1.9
68.86938	2.0
70.04896	2.3
71.01250	5.4
71.57768	3.6
78.78429	1.8
78.95776	3.7
79.22842	2.0
79.81371	2.1
79.95588	2.1
88.37062	2.2
96.95886	8.6
96.96853	6.1
101.02338	2.5
123.00748	2.5
125.02326	7.5
137.02260	1.9
141.29997	1.8
169.01385	2.8
197.63843	1.9
217.05777	2.0
225.05498	31.4
226.06245	7.4
239.56213	2.0
241.08672	100.0
242.09019	7.5
259.08820	2.4
403.13940	5.7
419.79480	2.0
443.75195	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	438.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96241	0.3
70.06676	0.3
71.06396	0.5
78.95777	16.3
89.16624	0.2
96.95872	0.3
106.70247	0.2
121.99993	0.6
134.98439	0.4
140.01085	4.9
152.99501	1.6
196.03731	8.4
197.04138	0.4
214.04857	1.7
223.20665	0.3
231.40671	0.3
241.21692	100.0
242.22032	8.4
297.15216	0.4
438.26266	18.2
439.26578	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13027	0.4
57.70782	0.3
59.00996	0.3
59.01254	4.4
67.74018	0.3
70.07764	1.0
70.08188	0.6
70.21497	0.3
70.67464	0.3
71.01257	0.5
88.98701	0.3
91.01754	1.4
93.14171	0.3
96.95897	0.7
97.04107	0.3
117.03406	0.4
124.85406	0.3
132.02043	0.5
133.02847	1.2
135.00748	1.2
140.42851	0.3
153.01810	0.9
156.99869	0.5
167.04909	0.9
169.06433	0.3
173.99249	0.3
180.05727	0.4
181.06509	0.5
185.06041	0.6
195.04408	1.2
196.05176	0.7
197.06032	1.6
208.05222	1.8
209.06012	3.0
210.03084	0.4
211.03894	0.8
223.03976	2.2
224.04738	2.6
225.05501	3.0
227.50238	0.3
251.03513	2.1
252.04225	3.6
253.05029	37.0
254.05374	2.7
262.56595	0.4
279.03015	0.9
281.04547	100.0
282.04907	7.9
397.22629	0.4
439.03427	3.7
440.04028	0.4
444.49118	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.6
59.01252	100.0
60.01590	1.5
61.98703	0.6
69.13338	0.4
69.33046	1.9
69.33465	2.0
71.01255	6.6
72.77567	0.4
73.02806	2.2
82.91256	0.4
83.01261	0.8
85.02824	3.5
87.00790	0.5
87.04393	20.8
88.04716	0.4
89.02325	0.7
91.63934	0.4
95.01285	0.5
98.20530	0.9
99.00746	0.9
101.02332	4.4
113.02334	2.3
130.84946	0.3
159.02901	0.5
161.04478	5.0
201.11275	0.7
202.06294	0.5
307.17734	1.6
377.21771	2.2
437.08337	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19166	1.5
55.01747	6.0
57.03312	5.5
59.01255	76.1
59.65810	1.5
61.98701	3.4
68.99685	1.6
71.01259	81.3
72.99180	4.7
73.02820	40.4
75.00742	3.5
77.18540	1.6
81.46510	1.5
83.01260	12.5
85.02825	39.6
85.99976	1.6
87.00745	5.5
89.02322	22.9
95.01270	6.3
95.18350	1.5
97.02840	3.1
98.20654	3.0
99.00758	15.8
101.02325	78.4
106.28978	1.6
111.00778	3.2
113.02327	32.0
115.03880	2.1
119.03379	2.2
124.86834	1.4
125.02329	7.1
129.01878	2.0
131.03412	6.5
143.03419	4.8
149.04424	2.5
151.33096	1.4
159.02892	6.8
161.04468	34.2
177.01892	2.1
205.03477	2.2
209.11713	3.6
221.96576	1.9
229.26987	2.9
233.06668	2.2
275.13028	1.8
305.19708	100.0
306.20023	5.9
351.60281	1.6
419.34518	1.9
437.23920	94.6
438.24466	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81861	0.5
57.88818	0.5
67.00994	0.6
70.77154	1.6
78.95776	19.5
80.79183	0.5
95.53062	0.5
96.96902	0.5
110.98402	1.0
116.61805	0.5
124.99989	4.5
152.99487	6.4
167.01027	0.7
181.02617	8.9
199.03688	2.5
233.80493	0.5
255.23264	100.0
256.23596	8.4
264.65933	0.6
264.94009	0.5
269.24841	10.8
270.25122	1.2
322.54025	0.5
364.14801	0.6
437.26724	15.0
438.26984	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	438.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	7.2
61.98695	1.4
70.71728	2.0
70.72073	0.6
71.01261	2.4
73.34657	0.6
78.05678	0.6
78.95771	2.7
85.02833	1.7
89.02263	0.8
94.06535	0.6
95.01254	0.6
101.02327	1.9
118.06512	8.1
122.06037	1.0
123.06800	9.0
124.07558	1.2
125.02360	4.1
134.03661	1.2
135.04395	1.8
146.06030	31.9
146.39511	0.6
147.06503	1.3
150.05455	1.0
152.99496	4.4
161.06035	0.7
169.01414	1.3
172.07674	0.7
174.95021	0.6
179.05794	1.2
181.08521	0.7
183.13918	1.3
190.07332	0.6
198.09163	0.8
211.13344	13.6
212.10808	3.1
213.10416	1.0
225.05450	6.7
226.07516	3.8
226.12259	1.0
227.03188	0.9
227.08218	21.8
227.11888	1.8
228.08499	1.3
240.09006	1.1
241.09003	17.1
241.09532	17.5
242.10509	7.3
243.10732	0.8
253.09976	1.0
254.10551	1.2
255.11375	16.4
256.11673	0.8
269.12952	8.8
270.13699	11.5
271.14026	1.5
273.12497	0.7
284.11792	0.9
296.11850	1.1
302.12717	9.9
303.12909	0.9
305.68604	0.7
307.11926	0.7
313.05545	0.7
314.12692	4.2
317.46948	0.6
342.13260	1.9
350.15070	1.1
366.18442	0.7
377.75381	0.6
394.21320	21.9
395.21570	3.5
403.13977	2.2
420.19415	2.7
438.20346	100.0
439.08142	1.2
439.11200	1.0
439.16190	1.0
439.21497	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	437.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20011	1.0
55.01766	7.8
57.03315	7.9
58.00469	1.4
59.01253	57.5
60.01603	1.0
61.98709	2.1
69.03335	2.0
70.71873	3.1
71.01254	83.7
72.01627	1.6
72.99181	4.4
73.02820	36.5
75.00742	2.7
81.03326	2.6
83.01263	17.1
83.01744	0.8
85.02824	43.4
85.99998	2.2
87.00740	5.9
89.02319	17.6
95.01255	5.2
97.02844	3.4
99.00755	15.4
101.02328	73.1
111.00764	2.6
113.02332	29.1
115.03909	2.1
118.86049	0.9
119.03395	1.7
125.02363	5.6
129.01837	2.5
131.03400	6.0
143.03403	3.4
149.04498	2.2
153.09267	1.2
159.02884	8.6
161.04457	30.4
180.45021	1.0
193.12276	4.1
205.03574	1.2
209.11731	2.5
233.06606	2.9
237.11302	18.3
238.11725	2.2
238.57054	1.1
239.11745	1.0
278.73636	1.1
305.19693	100.0
306.20023	7.4
349.18814	1.5
377.41364	1.1
399.16739	1.1
437.23917	91.0
438.24466	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01588	0.7
61.98703	0.7
68.14445	0.4
71.01250	2.9
73.02841	1.2
75.34947	0.4
83.01272	0.7
85.02820	1.8
87.04396	38.4
88.04716	0.9
89.02321	0.8
93.54611	0.3
96.95906	0.4
99.00787	0.4
101.02333	2.0
113.02354	1.4
119.75583	0.4
160.83836	0.4
161.04489	1.1
178.19135	0.4
228.33940	0.4
284.03232	0.7
285.04205	0.9
377.21951	0.5
437.09024	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
60.01587	1.3
60.06453	0.6
61.98690	0.5
69.36279	3.2
69.36708	2.1
71.01256	4.5
72.80727	0.5
73.02837	1.1
76.65442	0.5
79.47917	0.5
79.61684	0.5
83.01237	0.8
83.29140	0.5
85.02846	2.0
87.04395	42.4
88.04757	1.0
89.02331	0.6
99.00740	0.7
101.02328	3.2
103.49833	0.5
104.04693	0.5
109.02829	0.7
110.32706	0.5
113.02351	1.7
161.04478	0.9
202.06403	1.2
259.24280	0.7
283.06003	3.0
307.17905	1.5
369.13605	0.7
377.21875	1.6
386.28189	0.6
392.12686	0.6
437.12479	2.2
437.17993	0.7
458.30988	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	2.1
57.03310	4.4
58.00476	1.3
59.01256	25.0
69.75864	2.2
69.76275	5.0
71.01254	31.5
72.01604	1.3
72.99190	6.9
73.02802	2.3
75.00748	31.9
83.01229	2.4
85.02822	35.5
87.00758	9.6
89.02315	10.9
95.01255	3.9
96.42045	1.1
97.02884	1.3
98.19870	1.7
99.00758	10.2
101.02318	8.5
101.65891	0.9
106.52525	1.0
113.02328	31.4
115.00237	3.7
117.01804	1.9
119.03384	4.2
123.04385	1.7
125.02322	3.1
129.01779	1.3
131.03410	1.4
150.90508	1.1
157.01283	1.7
173.04485	1.7
175.02368	3.5
180.89256	0.9
184.61804	0.9
201.51970	1.1
318.23138	1.1
377.14185	1.4
437.16602	100.0
438.17142	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	437.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	8.6
57.03329	6.5
59.01250	100.0
60.01580	3.4
61.98708	2.7
65.61643	2.0
67.28194	2.2
70.16766	10.4
71.01252	78.1
72.99193	4.6
73.02818	32.6
75.00737	2.9
83.01246	12.1
85.02825	35.5
87.00754	5.0
89.02327	21.1
95.01281	5.0
97.02852	4.9
99.00757	14.4
101.02322	67.3
104.49958	2.8
111.00745	4.2
113.02330	24.3
115.03923	4.0
125.02338	7.6
131.03404	7.5
136.64969	2.3
143.03435	3.4
152.99529	2.3
159.02895	3.6
161.04466	23.6
161.05743	3.6
177.69443	2.2
179.85648	2.3
209.11732	3.9
218.09494	2.2
219.92336	2.5
233.06586	2.9
233.15506	4.8
275.12939	5.4
305.19693	86.2
306.20090	5.7
388.51788	2.3
437.18295	2.8
437.23843	75.4
438.24176	8.5
462.18753	2.4
463.44260	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	2.6
57.03318	6.3
59.01249	9.8
69.80909	5.7
71.00893	1.8
71.01257	23.8
72.99184	4.4
73.02814	3.4
75.00748	26.8
83.01254	3.6
85.02824	31.4
87.00738	7.8
89.02329	2.8
95.01277	3.7
97.02853	1.0
98.20525	1.8
99.00766	9.2
101.02319	6.7
103.00229	1.0
108.61517	0.8
111.00758	2.5
112.01566	1.2
113.02328	25.2
115.00226	1.7
123.00787	1.5
125.02322	2.7
128.52043	0.9
129.01773	2.1
130.42081	0.9
132.50522	1.0
139.00275	1.3
147.39894	1.0
157.01321	1.7
161.04424	2.4
168.00534	1.7
169.01340	1.6
175.02376	1.4
193.14677	0.9
261.13501	3.2
338.09439	1.0
437.16617	100.0
438.16837	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	437.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81026	8.4
57.03326	16.4
59.01254	100.0
69.78554	57.2
71.01258	79.4
72.99181	10.1
73.02833	11.1
75.00765	52.8
80.60859	9.1
82.68457	8.0
85.02820	64.4
85.19436	7.5
87.00779	18.0
89.02315	21.5
90.07331	8.7
95.01334	8.5
98.20519	11.6
99.00765	20.3
99.70131	7.6
101.02331	34.5
101.82737	7.7
109.48388	8.9
113.02348	64.6
118.44539	8.4
123.04388	20.4
125.02340	21.0
137.02353	12.2
138.05528	12.1
139.90891	7.3
161.98666	8.8
165.05551	10.7
167.03442	9.7
181.04927	9.3
201.11459	9.4
211.06195	15.5
229.08586	8.2
231.16847	8.1
269.10339	12.9
291.84937	10.5
377.18185	17.4
401.14618	67.3
402.15076	12.6
437.12311	11.8
437.16724	99.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49458	0.7
59.01254	4.0
67.01759	1.1
71.01260	5.3
71.57284	1.2
73.02795	0.7
79.01756	1.4
83.01269	0.8
85.02825	2.6
87.00725	1.2
94.13991	0.8
95.01257	2.8
96.96815	0.9
97.02828	1.7
97.21271	0.7
101.02323	2.8
107.01271	10.1
108.02051	23.2
109.02872	1.9
111.00761	2.6
113.02342	1.8
123.00758	15.7
123.04408	14.5
123.46869	0.8
125.02335	53.2
126.02689	1.4
136.98685	2.4
139.00261	3.2
140.01077	3.9
141.01836	1.3
151.00281	11.3
152.00676	1.3
165.01816	1.0
166.99834	0.8
168.00557	3.3
169.01334	67.5
169.96350	0.8
170.01682	2.4
179.03322	1.0
183.02873	1.3
211.02333	1.4
241.03516	1.0
253.03642	0.9
257.98889	0.7
270.43115	0.7
308.23157	0.8
313.05655	20.7
314.05920	1.3
327.07349	2.0
437.10873	100.0
438.11142	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	436.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01572	0.8
61.98706	3.3
70.35821	1.6
71.01260	3.4
85.02848	1.5
89.02322	1.1
101.02361	1.1
113.02351	1.1
119.03436	0.6
122.77142	0.6
125.02362	0.7
151.00339	0.5
161.04498	0.9
164.09431	0.6
209.08270	1.1
210.08656	1.0
217.16403	0.5
238.82333	0.6
281.71280	0.5
314.41824	0.5
437.24072	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94733	2.6
59.01255	5.8
69.46915	8.7
69.47345	13.1
78.95751	3.5
98.19849	5.6
108.02017	2.9
109.02839	5.3
137.02347	5.3
140.72366	2.7
152.99498	4.4
167.10046	2.6
171.04434	2.5
175.03857	3.8
179.60020	2.5
190.02647	2.6
211.04091	3.2
215.03461	4.7
225.43675	2.8
227.03474	14.1
228.04224	8.0
233.06027	3.0
247.07503	3.4
249.05409	3.8
255.02927	5.9
256.03726	10.8
261.05634	3.0
263.03766	3.2
263.07059	9.3
265.04950	3.6
275.07315	5.4
277.05048	6.6
279.06696	3.8
281.08154	3.6
291.06610	10.9
293.04547	4.1
304.03729	3.6
305.04559	4.0
307.06180	4.6
317.04410	5.2
318.05167	5.4
319.06027	15.1
320.06732	2.9
321.04022	6.6
322.04813	4.4
335.05450	13.8
336.06226	9.0
337.07123	19.5
347.05676	11.8
349.03497	4.5
363.05264	6.0
364.05759	4.3
365.06656	100.0
366.07050	10.7
375.04871	3.7
377.02936	2.8
393.06152	65.1
394.06546	6.1
409.05719	20.1
412.78000	2.5
418.00662	2.6
437.05060	58.0
438.05475	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	435.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	100.0
71.59532	31.4
90.13895	20.9
95.08531	21.8
96.33610	20.6
98.78053	19.5
116.06615	22.0
133.05017	21.9
253.09576	25.8
435.20532	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33260	12.6
50.39359	13.5
52.85786	14.3
59.01245	52.9
71.01253	29.5
71.59632	23.0
81.76070	14.7
84.92602	14.9
109.02879	20.9
121.02808	20.1
133.70009	13.7
137.02324	28.7
147.63293	15.3
149.02316	42.9
166.55507	14.3
182.73688	14.7
200.18933	15.3
254.02008	21.2
325.07224	17.2
392.40817	19.5
393.16754	15.4
405.06311	33.7
410.09872	14.9
435.11520	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61610	0.6
55.01766	1.3
57.03333	1.4
58.00472	3.5
59.01252	87.3
61.98718	1.0
64.29832	0.6
66.88694	0.6
69.03333	0.9
71.01254	61.2
72.01604	1.1
72.99162	3.2
73.02823	16.0
75.00761	1.2
83.01270	3.0
85.02826	9.7
87.00768	2.2
87.80616	0.7
89.02318	100.0
90.02631	1.3
95.01254	2.5
97.02825	1.5
99.00764	28.0
101.02324	38.9
102.02692	0.9
105.26270	0.7
111.00788	0.7
113.02329	16.2
115.03907	0.9
119.03391	10.8
125.02332	5.4
126.02663	0.7
129.01840	1.1
131.02470	1.3
131.03387	15.9
135.04364	0.8
143.03387	2.4
149.04465	50.6
150.04782	2.0
161.04524	3.9
165.04218	1.2
179.05621	3.8
187.03896	0.8
191.03600	0.9
191.05540	12.0
215.03377	1.4
216.04218	0.9
221.06555	1.1
229.35803	0.7
233.06548	1.2
246.13136	0.7
251.07590	2.3
257.12793	1.9
277.03238	0.8
337.05380	2.0
392.19748	1.0
435.22272	12.3
436.18155	3.7
436.23535	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2516
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
55.52901	0.2
70.96243	0.6
72.14095	0.3
78.95776	57.7
94.96727	0.2
96.96841	5.8
109.74802	0.2
150.97940	1.9
152.99490	100.0
153.99840	1.7
171.00562	4.3
256.91553	0.2
267.23309	0.9
281.24817	0.9
435.25183	6.4
436.25430	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01594	1.4
63.12941	0.4
63.40500	0.4
66.81087	0.4
71.01257	3.5
71.57655	0.7
73.02822	1.6
75.00748	0.5
83.01284	0.5
85.02834	1.6
89.02319	1.3
89.69324	0.4
97.36758	0.4
99.00768	1.1
101.02322	2.9
105.09121	0.4
108.96938	0.3
113.02351	1.3
128.47366	0.4
151.03951	1.0
161.04465	2.4
175.14319	0.4
185.15013	0.4
185.86169	0.4
273.07816	0.7
323.44678	0.5
375.23993	4.3
376.24152	0.5
439.74490	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.2
59.01253	11.5
60.01584	1.0
61.98693	0.8
63.61852	0.4
65.00191	1.1
69.03335	0.6
69.78677	2.3
71.01263	1.7
73.02846	0.5
75.00737	0.7
81.03331	13.2
82.03720	0.4
83.01259	5.4
85.02834	0.6
93.03342	5.8
95.01269	0.6
95.04885	0.9
101.02325	0.6
107.01273	1.0
119.04922	16.9
120.05254	0.6
121.02834	0.5
123.04408	28.1
124.01620	0.5
124.04749	0.9
125.02340	9.8
135.04413	1.5
137.02376	0.9
139.03931	0.6
149.02370	2.3
151.00273	1.9
151.03877	0.9
152.01059	1.4
163.03964	1.1
165.05460	0.6
166.02704	0.9
167.03418	80.6
168.03770	2.8
175.00288	1.0
179.03430	5.5
181.05000	3.6
187.07613	0.5
189.05446	2.4
191.03445	11.0
192.03697	0.6
193.04996	0.7
203.03430	1.3
209.04466	5.2
221.04518	2.1
229.08563	1.4
255.06746	0.6
273.07681	100.0
274.08057	6.4
281.21741	0.4
285.04102	0.6
287.09030	0.6
297.07684	19.0
298.07947	1.7
315.08713	6.1
316.08984	0.6
327.08774	1.9
339.08664	0.5
358.77594	0.5
435.12860	3.4
436.13199	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.3
59.01252	11.5
60.01583	0.7
61.01668	0.4
63.02279	0.3
65.00191	1.2
65.03821	0.2
69.03327	0.4
70.82928	0.2
71.01245	0.6
72.99160	0.4
73.02854	0.2
76.87135	0.2
81.03333	11.8
82.03692	0.3
83.01256	4.7
85.02823	0.3
89.02325	0.4
92.12466	0.2
93.03338	7.4
93.34370	0.2
95.01273	0.5
95.04906	0.4
96.76550	0.2
97.02792	0.2
99.04388	0.8
101.02332	0.6
107.01250	1.2
111.04401	0.5
113.02335	0.3
117.46466	0.2
119.04916	11.1
120.05261	0.8
123.04410	32.2
124.04768	0.8
125.02333	14.3
126.02678	0.5
135.04413	1.6
137.02342	0.3
139.03882	0.3
142.52679	0.2
147.04381	0.4
149.02359	2.1
151.00294	3.4
157.80046	0.2
161.04504	0.3
163.03940	0.8
165.05426	0.3
167.03413	75.9
168.03740	3.1
169.06505	0.3
171.04439	0.5
179.03426	7.8
180.03757	0.3
181.68675	0.2
187.07582	0.6
189.05473	1.9
191.03404	0.7
199.16472	0.2
211.07663	0.6
221.69377	0.2
229.08685	0.9
255.06648	0.8
273.07675	100.0
274.08032	7.3
287.04431	0.2
297.07733	0.7
299.25137	0.2
315.08862	0.3
435.12033	0.7
442.79581	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1297
Annotation	Pterosupin
Peak:m/z	Relative Intensity
52.38111	0.6
57.03314	1.0
59.01250	8.8
69.03310	0.6
71.01240	2.0
81.03327	8.4
83.01244	3.7
85.02837	0.9
88.35755	0.5
89.02321	0.9
92.39406	0.6
93.03311	4.1
95.04897	7.6
97.02813	3.7
98.20541	1.4
99.04393	3.6
101.02319	0.6
107.04906	0.6
109.02821	0.8
111.04405	0.6
113.02287	1.2
119.04910	7.4
121.02843	0.9
122.03635	1.4
123.04408	12.4
125.02338	17.2
135.04413	1.4
137.02361	3.1
137.05972	9.7
139.03903	2.0
141.05449	0.7
147.04419	1.5
149.02338	1.1
149.05888	1.1
150.03221	0.7
151.00287	0.8
151.03903	1.1
153.05490	0.6
155.03386	1.1
165.01915	0.8
165.05472	5.3
167.03403	37.1
168.03798	1.5
179.03412	7.0
181.05008	1.6
189.05559	3.1
191.03409	1.1
193.05121	0.9
197.04456	3.1
209.04483	11.6
221.04520	2.0
231.06671	0.8
253.14540	0.6
273.07635	6.9
285.07675	1.6
315.08737	100.0
316.09027	8.5
327.08664	1.7
345.09790	23.1
346.10220	2.1
357.09717	1.5
435.13052	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	435.1297
Annotation	Hydrangea glucoside B
Peak:m/z	Relative Intensity
58.20582	1.0
59.01245	2.1
61.57929	0.9
69.62336	7.3
71.01257	1.9
71.32605	0.9
73.02840	1.0
75.31185	0.9
81.03329	32.2
82.03673	1.1
85.02810	1.9
93.03333	3.5
95.01272	1.6
98.20525	1.3
106.04125	3.3
108.01985	1.3
109.02817	4.0
113.02307	1.5
121.02820	1.2
122.03641	1.5
123.04414	89.4
124.04729	2.4
125.02326	2.0
137.02347	2.0
138.03119	1.5
149.02338	5.9
184.32326	1.1
184.67706	1.0
187.07581	1.6
191.98447	0.9
198.43256	1.0
211.68813	1.2
214.62427	1.1
229.08659	77.9
230.09038	4.6
255.06609	21.1
256.06808	1.3
273.07684	62.7
274.08069	4.7
313.05869	1.2
435.12955	100.0
436.13263	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	435.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.4
57.01354	0.4
59.01011	2.2
59.01342	13.2
61.98775	0.7
69.67569	1.0
69.67973	2.8
71.00941	0.8
71.01359	3.0
72.99250	0.6
73.02908	1.0
75.00835	0.4
83.01393	1.2
85.02493	0.5
85.02940	1.6
87.00835	1.0
87.04475	0.7
89.02437	2.6
89.03943	0.8
93.02824	0.6
93.03461	6.8
95.01355	0.8
95.04493	0.4
95.05044	1.6
99.00848	0.8
101.02458	2.9
103.03955	0.6
108.02157	0.6
109.02843	17.2
113.02471	1.7
117.03493	2.8
119.03487	0.7
119.04939	2.6
121.02972	2.0
122.03732	0.7
123.04406	12.0
125.02354	2.6
131.03522	0.5
133.02855	3.1
134.03693	0.5
135.00864	1.0
135.04520	0.7
137.02470	0.8
138.65131	0.5
143.04977	0.6
145.02875	7.0
147.04459	3.2
148.01604	0.5
149.02492	1.8
150.03258	1.4
151.03926	14.5
152.04446	0.5
159.04428	2.1
161.02345	2.1
161.04611	1.0
161.06087	1.3
162.03265	1.4
163.02873	0.5
163.03963	2.6
163.06148	0.7
165.01947	0.8
171.04512	0.5
173.02434	0.9
174.03268	0.5
175.04015	1.2
176.01183	1.2
177.01857	21.9
178.02275	0.7
185.06021	0.6
187.03954	3.9
188.04797	1.5
189.01866	27.8
189.05603	1.1
190.02629	8.6
191.03445	6.8
201.05586	0.9
203.03468	2.7
203.07109	0.9
205.07149	0.6
213.15057	1.7
215.03423	2.1
216.00584	6.0
216.04208	0.9
217.01370	18.6
218.02193	2.1
219.02933	8.6
220.03452	0.6
222.01849	0.7
227.07208	1.5
229.04977	2.3
229.08746	1.9
231.02948	5.6
232.03658	1.3
233.04460	0.9
241.05110	1.6
243.06729	0.8
245.08325	1.1
253.05206	1.0
254.05812	0.7
255.06711	0.8
265.05231	0.5
269.04694	0.6
271.06107	6.1
272.06781	0.8
273.07870	3.3
273.10507	0.6
273.11450	0.4
277.03644	1.6
278.04318	0.5
281.04547	8.0
282.05145	0.8
283.06195	2.0
289.07181	5.1
297.07697	5.2
303.18192	0.9
311.05692	3.1
323.05640	1.5
337.05676	1.8
341.06656	100.0
342.06995	10.6
435.10782	15.4
435.21051	0.7
435.26453	0.9
436.11041	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	435.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68465	1.2
57.03323	3.1
57.74465	1.2
59.01236	2.1
69.03337	1.9
70.28530	5.0
76.29625	1.0
81.03342	3.4
83.01266	3.9
93.03333	5.1
95.01254	1.2
95.04894	3.4
97.02827	8.2
98.19867	1.5
109.02837	25.6
117.03348	25.4
119.04922	17.7
120.05197	1.2
121.02865	8.4
122.03625	1.6
123.04411	15.0
125.02332	24.0
135.04448	2.6
137.02348	29.7
139.03867	4.0
143.04921	1.1
145.02855	86.4
146.03267	3.8
147.04413	2.5
149.01277	1.5
149.02322	9.2
150.03133	1.9
151.03908	9.7
159.04434	4.5
161.06021	5.9
162.03162	1.4
163.03899	6.4
164.01077	5.6
165.01851	50.4
166.02312	2.4
167.03400	1.8
173.06088	1.8
175.03937	4.3
175.07660	1.7
177.01880	3.4
179.03488	7.0
185.06026	2.3
187.03938	5.3
188.04703	4.6
189.01859	5.4
191.03427	1.2
199.07585	2.5
202.06393	1.8
203.07077	15.1
205.05005	11.3
217.01416	2.9
217.08739	1.9
217.99994	1.2
219.03111	1.9
221.08128	4.7
227.06903	5.6
229.05031	1.6
231.03000	2.6
245.08174	18.2
251.07271	1.3
253.08646	3.6
269.08191	12.2
271.06094	3.5
285.07690	3.2
289.07181	100.0
290.07455	6.8
297.07758	1.3
301.39340	1.2
315.05148	1.8
341.06714	12.5
435.10876	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	435.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	72.1
65.61557	12.6
69.39340	100.0
78.95756	11.5
85.02829	18.6
94.24448	13.8
103.00260	54.2
111.00764	26.4
125.02372	25.0
151.13255	13.3
165.05481	39.9
169.01343	29.0
191.05522	28.0
331.06546	67.2
435.09784	32.2
436.11133	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	3.1
61.98704	100.0
71.01260	0.5
85.02831	0.4
93.03332	0.3
95.01340	0.2
98.19748	0.5
99.00708	0.2
99.70869	0.2
101.02371	0.3
105.90179	0.2
107.04914	5.2
107.05624	0.3
109.02863	0.8
113.02359	0.3
121.02843	2.4
122.03625	3.8
122.04436	0.3
124.01554	0.5
125.02368	0.9
127.59192	0.2
137.02371	0.7
150.03160	0.7
151.03925	1.3
154.02649	0.4
165.09135	1.2
165.37617	0.2
168.00598	0.4
176.76236	0.2
182.02135	0.7
189.01991	0.3
209.06148	0.4
209.08124	6.8
209.10049	0.4
210.08556	0.5
211.07726	0.3
227.07022	0.4
229.08652	7.9
229.10847	0.4
255.06712	0.7
272.06900	0.2
273.07690	5.6
321.47723	0.2
371.13629	0.7
434.15723	0.3
435.13043	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	434.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01440	0.8
58.02850	14.7
59.01252	43.3
60.01580	4.2
66.03358	1.8
70.91122	1.0
70.91449	1.7
71.01237	2.5
72.00761	1.1
73.02811	2.8
74.02343	27.4
78.38852	0.8
81.04456	1.7
82.02850	4.1
84.04417	1.7
86.02345	11.6
86.05986	2.6
87.05489	5.0
89.02306	1.1
93.03356	0.9
96.04438	1.4
97.03954	3.6
98.02326	1.5
99.05516	26.9
101.02344	3.1
101.07090	4.4
102.05450	5.2
107.01251	1.8
107.06017	1.6
109.03937	5.6
109.07571	1.4
110.05959	0.9
111.05528	2.5
112.03927	2.9
113.02316	1.3
113.03478	1.7
113.07127	1.4
119.04903	3.0
120.05250	3.0
123.05564	1.9
124.03969	0.9
124.07516	1.0
125.02330	3.1
125.03446	5.6
126.04266	1.1
127.05011	4.9
128.03424	71.3
129.03757	2.5
135.05521	8.5
137.07118	1.3
139.08649	0.9
141.06596	2.9
143.04523	100.0
144.04860	2.0
145.06107	3.5
146.04480	11.0
149.07097	1.7
151.00269	6.4
152.00635	2.8
153.06610	7.1
155.08197	1.2
159.08485	0.9
161.09959	14.6
166.09816	4.6
167.04544	3.9
167.08191	6.2
170.03249	3.1
171.04031	4.0
178.02141	0.9
179.04538	28.4
181.06110	1.6
184.10822	1.1
185.05595	4.6
191.48291	0.8
192.07721	2.3
197.05655	5.9
207.10298	0.8
210.08762	25.3
211.09071	1.1
215.39043	0.8
228.09801	2.3
254.05551	1.8
254.07794	51.7
255.08095	2.9
271.06119	5.6
272.06366	10.4
272.08893	48.7
273.09210	2.3
305.15408	6.5
347.76675	0.9
416.18597	8.0
434.11899	5.5
434.19647	51.3
435.19711	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	434.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.9
61.98705	100.0
66.93921	0.4
70.73726	1.0
70.74068	0.4
81.03320	1.1
98.20136	0.7
99.08044	0.6
123.04536	0.4
125.02360	1.5
125.05990	1.6
165.09131	11.7
165.10469	0.8
166.09416	0.7
191.07187	0.6
209.08139	42.0
210.08537	1.3
223.09851	0.9
233.08141	12.0
233.10292	0.6
234.08655	0.6
251.09242	4.0
263.09326	1.5
311.11227	0.7
371.13449	21.7
372.13824	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	434.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	3.1
61.98704	100.0
71.01260	0.5
85.02831	0.4
93.03332	0.3
95.01340	0.2
98.19748	0.5
99.00708	0.2
99.70869	0.2
101.02371	0.3
105.90179	0.2
107.04914	5.2
107.05624	0.3
109.02863	0.8
113.02359	0.3
121.02843	2.4
122.03625	3.8
122.04436	0.3
124.01554	0.5
125.02368	0.9
127.59192	0.2
137.02371	0.7
150.03160	0.7
151.03925	1.3
154.02649	0.4
165.09135	1.2
165.37617	0.2
168.00598	0.4
176.76236	0.2
182.02135	0.7
189.01991	0.3
209.06148	0.4
209.08124	6.8
209.10049	0.4
210.08556	0.5
211.07726	0.3
227.07022	0.4
229.08652	7.9
229.10847	0.4
255.06712	0.7
272.06900	0.2
273.07690	5.6
321.47723	0.2
371.13629	0.7
434.15723	0.3
435.13043	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	433.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54221	0.9
55.01763	7.6
56.73708	0.7
57.03327	6.0
58.00480	1.9
59.01252	51.6
60.01599	1.0
61.98698	1.1
69.03339	1.3
69.34393	3.0
69.34811	5.8
70.65155	0.8
71.01257	100.0
72.01590	1.8
72.99176	5.9
73.02819	36.6
74.03194	1.5
74.76676	0.8
75.00743	2.6
83.01258	16.5
85.02830	51.3
87.00742	4.4
89.02319	15.1
95.01260	7.6
95.24335	0.9
97.02831	2.3
97.38834	0.8
98.19814	1.5
99.00768	13.1
101.02328	99.2
102.02668	2.5
110.82875	0.8
110.90479	0.9
111.00784	2.4
113.02338	43.3
114.02690	1.2
119.03389	2.9
122.20705	0.8
125.02354	2.7
128.37399	1.0
129.01845	2.2
143.03421	4.9
159.02913	12.4
161.04474	42.9
179.05557	1.5
205.03548	2.0
265.26346	0.9
271.22821	9.4
291.06601	1.0
300.02612	1.1
375.05331	2.3
390.07510	1.2
403.04355	1.4
418.06799	1.8
433.09399	7.9
433.28061	26.8
434.09381	1.3
434.28290	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	8.8
56.57924	0.7
57.03324	7.6
58.00465	2.2
59.01254	50.0
60.01612	1.4
61.26658	0.6
68.99674	0.7
69.03332	1.5
71.01257	100.0
71.59365	0.9
72.01588	1.2
72.99191	4.8
73.02824	35.1
75.00752	2.3
83.01263	18.3
85.02828	51.5
87.00757	6.0
89.02321	11.6
95.01278	8.0
97.02829	2.9
99.00762	15.7
101.02327	97.4
102.02670	2.3
111.00739	1.2
113.02332	40.4
119.03388	1.9
125.02325	3.2
129.01845	2.7
131.03391	1.7
143.03400	4.0
143.04440	0.8
152.32442	0.7
159.02919	11.6
161.04469	39.7
162.04813	0.9
165.01880	0.8
175.61678	0.8
179.05440	0.8
205.03470	2.4
269.21045	1.3
271.22815	10.9
272.22903	0.9
300.02829	1.3
301.03607	0.9
364.70477	0.8
405.77707	0.9
433.28064	23.3
434.28174	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2596
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
54.58778	0.3
59.01250	0.9
70.16315	0.8
70.16718	0.4
91.22477	0.3
92.44448	0.3
94.13586	0.3
117.03352	16.6
118.03667	0.4
119.04921	27.2
120.05254	1.2
121.02868	1.7
123.04385	0.4
131.26074	0.3
136.46321	0.3
145.02863	100.0
146.03194	4.5
163.03926	18.4
164.04279	0.7
269.21237	1.6
280.19357	0.3
285.20813	0.3
287.22293	8.0
287.25238	0.6
288.22620	0.8
330.86600	0.3
358.22006	0.3
386.98514	0.3
415.25159	0.6
417.84579	0.4
433.25946	31.6
434.26279	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	433.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	4.9
67.24385	0.8
70.32530	3.5
78.95767	2.1
85.11102	0.9
96.95911	2.8
98.20146	1.9
105.63946	1.0
117.03344	15.3
119.04917	24.4
121.02849	3.0
123.04408	0.8
133.02818	0.9
133.10081	0.8
145.02852	100.0
146.03209	2.5
152.99397	1.0
163.03923	18.3
164.04175	0.9
186.95480	1.2
268.96039	1.2
269.21320	2.5
278.87216	0.8
287.22278	8.2
291.46423	0.9
415.24957	1.0
433.25964	32.0
434.26382	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.7
57.03326	0.5
58.00477	0.4
59.01253	100.0
60.01587	1.0
62.13329	0.3
63.47746	0.3
71.01254	9.8
72.82635	0.3
72.99176	0.7
73.02819	3.0
83.01265	1.8
85.02828	4.7
87.00765	0.5
89.02328	2.5
95.01268	1.3
97.02816	0.4
98.20187	2.2
99.00755	1.2
101.02324	9.0
104.56533	0.3
107.01288	0.9
113.02332	5.4
119.03428	0.6
119.04915	8.3
123.00762	1.5
125.02344	4.7
129.01898	0.4
137.02504	0.3
139.00328	0.6
143.03447	0.7
151.00308	1.0
159.02911	1.2
161.04468	8.4
163.03925	2.0
168.00522	0.4
169.01350	6.7
170.01869	0.3
211.33327	0.3
271.06235	0.6
313.05716	2.4
373.12860	0.6
373.22324	10.4
374.22699	1.0
385.52298	0.3
403.14288	0.4
418.12289	0.3
433.11240	8.5
434.11526	1.4
457.13284	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.236
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
59.01272	0.3
70.15855	0.5
70.16270	0.9
78.95779	73.5
96.96838	6.2
145.15025	0.3
150.97949	2.1
152.99496	100.0
153.99823	1.4
170.25385	0.3
171.00566	3.2
279.23291	1.4
433.17569	0.5
433.23590	9.5
434.24103	1.3
458.79315	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.5
57.03334	0.7
58.71970	0.4
59.01250	100.0
60.01588	1.5
69.09267	0.4
71.01250	10.1
71.57407	0.4
71.57781	0.5
72.99210	0.5
73.02815	4.0
75.00775	0.5
78.95800	0.5
83.01268	1.8
85.02818	4.3
89.02322	2.6
95.01276	0.9
97.02805	0.4
99.00764	1.4
101.02325	8.3
106.99880	0.4
109.02802	0.5
113.02335	4.1
119.03421	0.6
125.02361	1.5
143.03412	0.8
148.76056	0.4
149.04570	0.4
159.02916	1.2
161.04462	7.8
165.03304	0.4
222.23347	0.5
253.14383	0.6
253.92239	0.4
256.07477	0.4
271.02652	0.4
271.09882	0.6
274.81921	0.4
300.02914	0.7
301.03244	0.5
368.40469	0.4
373.22272	8.4
373.26605	0.5
374.22729	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04344	0.7
59.01252	100.0
59.15192	0.6
60.01585	1.0
61.12273	0.6
61.65649	0.7
68.00166	0.6
69.50463	3.2
69.50896	2.3
70.86998	0.6
71.01249	5.4
85.02825	0.9
89.02313	3.6
95.00320	0.8
95.01284	0.8
98.20515	1.5
101.02346	2.1
107.01299	1.0
109.02872	1.1
113.02351	1.2
119.03429	1.9
125.02389	1.3
151.00298	2.2
157.97296	0.8
161.04485	1.0
161.08139	0.9
163.00342	0.9
178.99847	1.6
179.05524	0.8
227.03543	1.5
243.03043	3.1
255.03014	6.2
259.30392	0.8
271.02484	12.7
272.02890	1.1
289.07129	1.2
300.02740	16.5
301.03485	14.7
302.03958	1.3
404.05872	0.8
433.07700	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	433.2359
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
59.01249	0.7
62.96298	0.3
70.15868	0.7
71.51201	0.2
78.95779	61.0
96.96843	6.2
150.97922	2.1
152.99496	100.0
153.99861	1.5
171.00572	4.0
279.23294	1.3
348.84369	0.3
355.09552	0.3
397.00937	0.3
433.23642	6.0
434.24030	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.3
59.65718	0.3
60.55537	0.2
67.39398	0.3
68.44405	0.3
70.15157	1.0
70.21205	0.3
71.01254	0.3
78.95779	70.8
96.96846	6.1
150.97887	1.7
152.99496	100.0
153.99783	1.6
171.00600	2.4
206.94118	0.3
248.45030	0.3
279.23196	1.5
333.03009	0.3
351.25351	0.3
395.58798	0.3
433.23624	9.0
434.24060	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.8
64.01453	0.2
70.87917	0.2
70.88280	0.6
78.95776	57.4
93.79774	0.2
96.96842	6.5
123.15656	0.2
146.41721	0.2
147.15622	0.2
150.97939	1.8
152.99492	100.0
153.99821	1.5
171.00566	3.5
184.30653	0.2
231.46922	0.2
265.21765	1.5
279.23260	1.2
433.23560	5.7
433.29144	0.4
434.24008	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01164	0.2
59.01248	0.5
61.74075	0.3
62.61547	0.2
62.96308	0.3
70.91484	0.9
78.95776	59.0
84.04098	0.3
87.05827	0.2
96.96839	6.5
150.97922	1.6
152.99489	100.0
153.99812	1.5
171.00533	3.3
209.48001	0.3
279.23367	1.0
433.23596	4.9
433.29202	0.4
434.23901	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01588	0.8
70.89175	2.4
71.01259	13.0
71.01616	1.3
73.02821	19.2
74.03159	0.9
83.01265	7.1
84.82732	0.9
85.02840	2.0
89.02322	3.8
101.02325	20.3
101.37144	1.0
113.02341	5.4
119.03385	1.5
121.02859	1.8
124.84908	0.9
125.02311	1.2
131.03366	2.3
135.04390	1.1
143.03458	1.7
149.04431	2.0
161.04503	5.8
181.12289	1.6
271.06110	1.1
271.09830	1.9
373.22211	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03351	0.6
59.01251	100.0
60.01582	1.5
69.35976	5.3
71.01264	4.8
73.02843	1.9
74.38148	0.4
83.01286	0.6
84.01599	0.5
85.02834	1.4
89.02338	1.4
89.09049	0.5
95.01329	0.6
99.00764	0.8
99.16985	0.5
101.02328	4.4
113.02351	1.6
119.03388	0.7
125.02337	1.5
125.22356	0.6
131.03404	1.2
151.11124	0.6
161.04466	3.0
178.34245	0.5
203.05612	0.9
221.06662	1.9
227.06946	0.8
255.06630	2.3
269.04556	1.1
270.04782	1.0
270.09143	1.5
271.05228	1.4
271.09753	1.4
282.04037	0.6
292.20038	0.6
300.02768	0.9
301.03485	1.1
313.16574	0.7
331.17505	2.9
433.24481	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	11.9
59.01252	100.0
60.44409	3.4
62.92019	3.6
69.36163	35.3
69.89417	4.0
71.01254	76.3
71.04899	4.8
72.99187	11.5
73.02827	14.1
75.00762	19.5
83.01258	4.5
85.02827	52.5
87.00750	10.3
89.02325	41.2
90.44077	3.5
95.01250	6.8
97.02868	5.6
98.19802	8.3
99.00771	11.1
101.02331	49.0
109.02834	4.9
111.00803	5.5
113.02341	43.1
115.03886	6.8
119.03388	10.5
122.88098	4.0
125.02312	8.6
129.01794	9.4
138.06767	12.2
139.07507	5.1
145.02448	4.1
149.02365	4.9
153.09134	29.1
159.02911	5.0
161.04527	32.0
179.05551	6.8
183.10190	11.5
225.14925	81.3
226.15157	4.1
249.06126	11.6
253.14359	15.1
267.07205	14.6
271.02258	5.0
271.06165	7.1
283.11072	4.1
313.07401	5.2
387.20334	36.9
388.20377	4.6
415.20111	4.1
433.21533	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79035	0.2
57.03347	0.3
59.01250	100.0
60.01577	1.1
62.23835	0.2
71.01262	0.8
71.37498	0.5
73.02841	0.2
73.04439	0.2
83.01261	0.4
85.02839	0.3
96.92905	0.2
101.02345	0.7
113.02323	0.4
113.07126	0.3
114.37930	0.2
125.02322	3.0
135.00783	0.5
135.04379	1.5
145.02882	0.7
149.02333	0.6
151.00293	0.4
153.01907	0.7
161.04478	0.3
167.03394	0.4
216.25279	0.2
244.87531	0.2
253.05087	0.9
255.02995	0.3
271.03314	0.3
271.06097	2.0
300.02823	0.3
338.67838	0.3
373.12891	0.3
433.15167	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03351	0.6
59.01251	100.0
60.01582	1.5
69.35976	5.3
71.01264	4.8
73.02843	1.9
74.38148	0.4
83.01286	0.6
84.01599	0.5
85.02834	1.4
89.02338	1.4
89.09049	0.5
95.01329	0.6
99.00764	0.8
99.16985	0.5
101.02328	4.4
113.02351	1.6
119.03388	0.7
125.02337	1.5
125.22356	0.6
131.03404	1.2
151.11124	0.6
161.04466	3.0
178.34245	0.5
203.05612	0.9
221.06662	1.9
227.06946	0.8
255.06630	2.3
269.04556	1.1
270.04782	1.0
270.09143	1.5
271.05228	1.4
271.09753	1.4
282.04037	0.6
292.20038	0.6
300.02768	0.9
301.03485	1.1
313.16574	0.7
331.17505	2.9
433.24481	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29853	0.4
59.01252	100.0
60.01601	0.6
69.03367	0.4
70.34371	0.7
70.34747	0.8
71.01255	5.5
73.02811	3.7
83.01273	1.2
85.02828	1.6
88.63059	0.4
89.02317	2.9
95.01245	0.5
96.37131	0.4
101.02310	3.9
106.13165	0.4
112.69435	0.4
113.02343	3.0
119.03410	1.1
125.02367	0.7
161.04462	2.3
177.76784	0.4
179.05586	0.9
197.06059	1.7
198.03233	0.4
212.04842	1.0
213.05496	0.7
240.04268	9.2
241.05032	3.1
255.06616	19.8
256.07318	7.4
257.07913	1.0
271.09750	26.5
272.10052	1.9
331.17593	2.0
433.15265	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17087	0.3
58.02850	1.0
59.01252	100.0
60.01575	1.3
61.01685	0.6
62.15432	0.4
64.79006	0.3
65.00216	0.5
68.36741	0.3
69.31848	3.4
69.71116	0.3
71.01263	3.8
73.02820	4.7
74.02363	1.4
78.88309	0.3
80.33677	0.3
83.01258	2.0
85.02845	0.8
89.02304	1.7
92.51295	0.3
93.03327	0.6
99.05553	1.1
101.02325	5.3
101.07135	0.5
107.01276	0.7
113.02341	1.7
119.03460	0.4
119.04938	1.5
125.02318	2.5
128.03426	3.4
131.03429	0.5
143.03467	0.6
143.04514	3.8
145.06084	0.3
146.04538	0.6
149.02411	0.4
151.00307	2.9
153.01872	0.4
161.04494	1.6
161.10010	0.7
167.08226	0.5
179.04611	1.3
184.72197	0.3
207.10376	0.4
210.08795	1.3
210.10593	0.3
215.02754	0.3
223.03642	0.3
226.62378	0.3
227.07217	0.4
243.06717	1.1
253.05135	1.2
254.07751	2.1
271.06104	5.5
272.08881	2.0
272.59338	0.4
300.02884	1.2
301.03494	0.9
373.21530	0.5
433.11560	2.7
434.11908	0.3
434.14618	0.4
434.19556	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	433.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67186	0.3
55.28596	0.3
57.03323	1.4
59.01251	100.0
60.01576	1.1
70.91515	0.7
70.91842	0.4
71.01247	2.3
73.02822	1.0
75.00740	0.8
78.95798	0.4
85.02831	0.8
93.84692	0.4
99.04413	0.9
101.02335	1.5
113.02341	1.0
122.06046	0.5
125.02351	0.6
132.94159	0.3
152.99525	0.4
159.21422	0.4
161.04427	0.5
175.56316	0.4
181.99136	0.3
185.53249	0.4
204.98308	0.4
271.02652	0.4
300.02762	0.6
331.17838	1.3
331.21524	0.3
335.12521	0.5
418.95609	0.4
433.20593	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48627	0.3
59.01252	100.0
60.01605	0.7
61.26205	0.3
61.59977	0.3
69.32404	2.8
98.19768	0.5
125.02329	1.5
132.09198	0.3
135.04456	0.6
135.22067	0.3
253.05067	0.7
271.06265	1.0
300.02884	0.3
433.15256	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13041	0.4
59.01251	100.0
60.01586	1.1
63.91008	0.4
71.01263	1.3
71.01714	1.1
73.02837	1.0
76.76923	0.3
84.06577	0.4
89.02333	0.6
95.14950	0.4
96.95910	1.0
96.96832	0.6
101.02334	1.4
107.01292	0.9
113.02370	0.9
114.93281	0.4
121.02876	0.8
135.04460	1.4
145.02832	0.6
149.02385	3.0
151.00298	0.9
153.01830	0.6
161.04486	0.5
161.93678	0.4
185.06068	0.6
229.05043	6.7
230.05345	0.4
258.16507	0.4
271.02957	0.7
271.06107	4.7
272.06497	0.5
300.02823	1.2
301.03613	0.7
312.21579	0.5
325.03772	0.4
342.15024	0.4
373.12921	0.4
377.19119	0.4
391.23395	0.4
433.11694	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01589	0.7
69.30479	4.6
69.30910	1.8
71.01251	1.2
73.94802	0.6
84.27741	0.5
85.02841	0.5
96.95885	1.7
98.20624	1.1
104.10155	0.6
107.01250	0.8
113.02329	1.2
118.98987	0.5
121.02853	0.8
139.15840	0.6
140.14880	0.6
151.00221	4.3
163.00249	1.0
163.85503	0.6
178.99806	2.2
183.76218	0.7
227.03529	1.1
229.05116	0.6
235.46655	0.7
243.03043	1.8
245.04341	0.9
255.02991	7.4
271.02475	11.2
272.03000	1.2
273.04178	0.6
283.02454	0.7
295.65039	0.6
300.02731	27.9
301.03503	28.4
302.03961	2.4
328.21100	0.6
331.17795	1.0
334.65167	0.7
373.22568	1.1
433.07623	9.6
433.12836	0.8
434.08041	1.4
443.30920	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	6.4
59.01251	100.0
69.03306	0.7
71.01253	8.6
71.04899	2.5
71.59804	0.9
73.02847	2.2
75.00756	0.9
81.03348	1.7
83.01265	3.2
85.02827	4.3
87.00751	1.0
87.04417	1.0
89.02302	3.8
93.03349	0.6
95.01276	1.8
95.04908	1.5
97.02851	2.6
99.00759	1.2
99.04395	5.1
101.02321	5.6
107.01260	0.9
108.02116	0.8
109.02855	8.4
110.03184	0.7
111.00785	2.1
113.02345	3.5
113.62226	0.7
115.03908	3.5
115.87524	0.6
117.05491	2.9
118.11845	0.6
119.03393	1.6
119.04945	2.7
121.02849	2.0
123.04388	4.4
125.02341	37.9
126.02773	0.8
135.04414	1.8
137.02370	6.5
139.03952	1.1
145.02863	8.1
146.03644	1.0
147.04375	0.8
149.02350	3.3
150.03110	0.9
151.00317	1.4
151.03937	3.2
157.06586	0.6
159.03107	1.0
159.04399	6.8
160.05107	0.9
161.02328	1.2
161.04486	3.0
161.06015	5.4
161.08096	21.4
162.03047	1.0
162.08406	1.1
163.03972	2.4
164.01082	1.3
165.01849	1.9
167.03450	1.3
173.06053	0.8
175.03958	1.2
175.07523	1.0
178.99817	1.0
179.03447	2.4
183.04488	1.4
183.10284	0.8
185.05966	3.2
187.03972	3.3
188.04684	0.8
199.07697	1.0
201.05492	2.3
203.07079	8.0
205.05042	3.5
209.05978	1.2
211.03844	1.3
221.08112	0.9
227.03610	1.3
227.07065	3.5
229.05107	2.1
230.02287	1.0
243.03029	1.0
245.08173	5.7
246.08588	0.8
253.05049	9.8
255.03072	2.5
256.03525	0.9
271.02588	6.3
271.06195	17.3
272.06491	1.7
289.07178	34.3
290.07599	2.8
300.02771	8.4
301.03406	7.6
302.03867	1.3
315.94775	0.7
373.13196	0.7
373.22559	4.1
433.07697	1.9
433.15302	2.3
433.20404	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	62.5
71.01253	20.1
73.02809	6.7
80.04927	7.2
83.01275	2.9
83.02390	3.7
85.02818	13.4
86.15100	2.1
89.02328	8.0
94.06506	7.6
95.01313	2.2
96.08076	3.4
97.01587	5.5
99.00761	4.4
101.02327	11.4
104.04930	3.5
106.06508	4.9
109.02827	2.9
113.02330	10.0
119.03416	4.4
120.04448	9.3
122.06023	28.8
124.07579	26.0
125.02299	4.6
132.50052	2.4
136.03928	13.1
148.03949	62.9
149.04480	3.1
150.05542	12.0
152.07127	4.3
161.04431	3.7
166.05017	17.2
167.51312	2.1
168.06583	17.1
183.60739	2.7
191.01880	2.5
194.04491	4.0
215.11800	3.3
231.11417	5.9
241.09770	2.8
243.11298	4.2
255.11394	3.8
273.12451	49.2
274.12772	3.7
291.13522	49.0
296.92325	2.5
300.02588	3.5
317.11441	14.5
334.11679	3.8
335.12509	100.0
336.12714	11.3
373.22620	2.6
375.04935	4.4
389.20932	4.8
418.06915	4.3
433.09232	9.7
433.19815	10.8
433.28616	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	433.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39489	0.7
54.57952	0.7
59.01250	23.3
64.43857	0.7
65.00182	3.5
68.13372	0.7
69.03320	1.2
69.80416	4.1
71.01249	2.9
73.96356	0.6
75.00743	1.5
81.03335	3.1
83.01260	4.0
85.02828	1.0
89.02309	1.4
93.03334	5.4
95.01232	1.3
97.02831	4.8
101.02316	1.8
105.03329	2.0
107.01231	5.5
109.02836	2.1
113.02320	2.0
115.03925	0.8
117.03334	0.8
119.04910	37.5
120.05245	1.7
121.02831	7.0
123.00756	1.6
123.04414	1.0
125.02333	13.4
133.02841	0.7
135.04414	1.4
136.30406	0.7
137.02333	4.1
139.03911	1.2
143.04927	4.1
145.02866	2.0
149.02359	5.3
151.00259	11.0
151.03891	1.1
152.00560	0.9
155.03436	1.5
157.06615	0.7
161.02361	1.1
161.05949	1.4
163.00288	5.2
163.03908	1.2
164.01045	1.4
165.01846	9.6
167.03400	4.1
169.01396	0.8
177.01817	2.1
179.03398	1.9
185.06001	0.9
187.03952	2.7
190.99742	0.9
191.03447	1.2
193.01343	23.7
194.01712	1.3
199.07462	1.3
205.01369	2.2
207.02896	2.0
208.03262	0.7
211.02473	0.8
219.02873	1.9
223.02422	3.9
226.06139	1.1
227.07133	1.8
241.08684	1.0
269.08145	1.9
271.06100	8.6
283.06189	3.1
285.07703	0.8
313.07162	100.0
314.07477	8.8
325.07104	2.5
343.08203	27.3
343.12332	1.6
344.08563	2.1
355.08105	0.8
415.10162	1.6
433.11545	11.2
433.20590	1.3
434.11618	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	5.8
63.02270	2.2
65.00195	6.5
70.24637	0.5
70.24928	1.7
71.01249	1.8
83.01247	4.4
85.02833	0.6
88.98688	0.8
89.02304	1.2
93.03333	7.2
94.59795	0.4
95.01268	0.6
97.02840	0.4
101.02318	0.7
103.71472	0.3
107.00532	0.6
107.01266	11.2
108.02107	0.7
111.00745	1.4
113.02297	0.8
119.04917	36.8
120.05275	1.8
121.02863	0.6
125.02323	1.5
131.01276	0.5
134.03647	0.4
135.00766	0.9
135.04431	5.1
137.02321	0.5
139.00255	3.8
143.04915	0.5
145.02844	0.5
149.02316	0.5
151.00273	41.1
152.00645	1.4
153.01820	1.0
161.06013	0.4
164.01038	0.4
165.01868	1.9
169.01402	1.8
175.00298	1.7
177.01895	4.7
185.06006	0.8
187.03966	0.7
193.01361	0.8
216.42825	0.4
220.19981	0.3
227.07098	0.8
229.05049	0.7
255.02969	0.6
271.06113	100.0
272.06427	7.1
287.13846	0.3
295.06189	1.8
300.02740	0.8
301.03534	0.8
313.07272	2.6
433.07098	0.8
433.11713	0.7
433.20541	0.5
434.10620	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	23.5
60.53911	0.3
63.02265	4.0
65.00196	10.7
66.00500	0.3
67.40788	0.3
71.01258	1.2
73.02821	0.7
77.47524	0.3
78.59066	0.3
81.03345	0.6
83.01257	7.6
93.03328	5.5
96.24594	0.3
101.02348	0.8
107.01270	18.2
108.01585	0.4
109.02837	0.5
117.03336	1.0
119.04919	36.9
120.05269	1.8
121.02837	0.9
121.92680	0.3
125.02345	4.2
133.02811	0.7
137.02406	0.6
143.04927	1.4
145.02863	4.9
149.02361	0.9
151.00281	64.8
152.00613	2.8
153.01842	0.4
159.06563	0.4
161.04636	0.4
161.06004	1.2
163.03888	0.4
164.00995	0.4
165.01865	5.8
169.01381	4.1
177.01839	5.0
185.06026	2.7
187.03987	3.0
193.01357	0.9
199.07634	0.7
209.06128	0.3
227.03435	0.6
227.07152	2.8
229.04984	0.4
229.98116	0.3
243.06503	0.8
253.04976	0.6
269.04623	0.7
271.06113	100.0
272.06418	9.2
295.06146	0.4
313.05591	4.2
325.06979	0.3
423.20676	0.4
433.11349	9.6
434.11844	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88055	1.0
59.01255	11.4
63.02272	2.8
65.00196	11.1
68.99684	1.4
69.56356	8.3
71.01251	5.0
71.67387	1.1
71.92835	1.0
73.37572	1.0
75.47902	1.1
81.03337	3.4
83.01263	8.5
85.02835	3.9
89.02314	2.8
93.03322	9.2
95.01263	2.2
97.02810	5.3
101.02326	3.3
105.03421	1.6
107.01272	16.8
109.02831	2.3
111.04401	1.4
113.02332	2.8
117.03300	2.0
119.04919	64.5
120.05254	2.4
121.02839	7.4
123.00753	2.4
123.04440	2.2
125.02348	19.9
135.00795	2.1
135.04411	6.0
137.02347	3.8
143.04935	4.6
145.02844	6.2
149.02354	5.8
151.00278	61.5
152.00543	1.4
153.01802	2.0
155.03391	1.3
161.04443	1.6
161.05974	2.8
163.00262	5.9
163.03900	2.0
164.00963	1.6
165.01877	14.4
167.03415	4.0
169.01331	4.1
177.01843	5.5
178.02608	1.2
179.03389	2.1
185.06006	3.8
187.03923	5.3
190.99803	1.6
191.03494	2.1
193.01360	34.0
194.01628	1.2
199.07561	2.0
205.01437	1.9
207.02934	3.0
216.41051	1.0
219.02922	3.3
223.02394	4.1
227.07077	5.5
229.05084	1.4
241.08728	1.7
267.06952	1.3
269.08148	1.7
271.06122	86.9
272.06448	6.0
283.06152	3.8
284.06616	1.3
313.07193	100.0
314.07504	9.7
325.07114	2.4
327.82382	1.0
343.08212	28.9
344.08612	3.2
355.08389	1.3
361.31976	1.0
373.12878	1.5
415.10562	1.4
433.11142	22.6
433.16232	1.8
434.11713	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	433.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89244	0.7
58.79601	0.7
59.01254	42.8
59.67566	0.7
64.63766	0.7
65.00220	1.2
69.52849	6.0
71.01267	3.6
73.02847	1.6
83.01302	0.9
85.02876	1.7
89.02381	1.9
93.03363	0.9
93.47248	0.6
95.01308	0.7
101.02383	2.9
107.01344	2.5
108.02129	1.2
109.02884	2.4
112.82024	0.6
113.02366	1.8
121.02893	3.1
125.02378	1.0
135.00848	2.8
135.04419	4.6
139.00356	0.8
146.85220	0.9
148.01573	1.5
148.05183	0.7
149.02417	3.0
151.00281	13.1
153.01875	2.9
158.03778	0.7
163.00290	3.8
164.01193	0.8
165.01846	9.4
169.01349	0.8
178.99786	5.8
199.03941	0.8
211.04027	1.4
226.02722	2.3
227.03505	3.5
229.05092	0.9
243.02968	10.8
245.04607	1.4
251.90231	0.7
254.02164	3.1
255.00301	0.7
255.02968	26.0
256.03409	2.3
271.02493	65.4
271.06049	9.5
272.02911	5.0
272.05933	1.2
273.04105	1.3
283.02597	1.3
299.01898	1.1
300.02744	100.0
301.03494	57.1
302.03848	3.9
372.78940	0.6
373.12921	1.1
373.21957	1.3
391.23434	1.0
433.07605	45.4
434.07941	4.4
447.02048	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12917	0.4
57.03331	0.5
59.01252	12.4
59.01527	0.8
63.02254	0.5
65.00234	1.0
67.48827	0.4
69.53777	3.0
69.54185	0.7
71.01253	4.1
83.01270	1.1
85.02858	1.3
87.04435	0.5
89.02354	2.2
95.01308	0.4
101.02319	2.9
107.01309	2.1
108.02090	1.6
109.02879	1.3
113.02357	1.6
119.03426	1.1
121.02908	1.3
135.00781	0.7
140.24051	0.5
148.01631	1.9
151.00262	7.1
163.00323	2.1
164.00964	0.9
165.01865	1.8
167.46794	0.6
169.01337	0.5
178.99806	3.1
185.06033	0.7
199.03888	0.7
203.03455	0.6
211.03928	0.6
215.03450	0.8
226.02734	1.2
227.03534	3.2
227.07021	3.1
243.00471	0.8
243.02963	11.9
245.04552	0.8
253.05112	1.0
254.02148	2.5
255.02985	26.2
256.03314	0.9
271.02487	52.4
271.05951	3.1
272.02948	5.2
273.03967	0.7
283.02319	0.8
299.02127	1.3
300.02747	100.0
301.03448	24.7
302.03870	1.2
313.07227	0.8
354.68588	0.5
433.07651	39.1
433.20560	1.3
434.07986	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	433.0773
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
59.01248	41.4
65.00185	2.0
69.33963	9.4
77.09450	1.0
83.01265	1.3
87.71423	0.8
98.19789	1.2
107.01269	3.1
107.38520	0.9
108.02090	1.8
109.02829	3.0
121.02861	2.9
148.01624	1.6
151.00272	18.6
163.00275	3.3
164.00995	0.8
169.01244	1.1
178.99809	8.1
193.06851	0.8
199.03865	1.5
201.05399	1.2
211.03883	1.3
214.77528	1.1
226.02615	0.9
227.03378	3.5
243.02968	9.0
245.04558	2.0
254.02165	1.3
255.02972	24.9
271.02469	51.8
272.02997	5.2
273.04074	1.9
283.02417	2.6
299.01871	2.2
300.02737	100.0
301.03497	96.0
302.03973	6.1
375.87598	1.1
433.07715	37.4
434.08118	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	431.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.6
57.31482	0.4
59.01252	100.0
60.01590	1.2
64.89272	0.4
68.56508	0.4
69.36493	3.1
69.36904	0.7
71.01254	8.3
72.99214	0.6
73.02825	2.3
83.01267	0.9
85.02824	3.3
89.02316	4.5
99.00755	0.7
101.02322	6.0
113.02331	3.9
119.03412	1.5
131.03375	0.4
139.98418	0.4
143.03409	0.8
159.02917	1.0
161.04469	6.2
172.92233	0.4
179.05598	0.9
209.15427	1.3
282.75082	0.5
371.20633	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	432.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70378	1.1
50.82701	1.2
57.50417	1.1
58.02643	1.1
58.02856	12.6
59.01252	85.3
62.90747	1.1
63.53366	1.1
66.03384	1.5
69.53316	3.5
69.53727	6.6
70.02863	1.7
71.01234	2.4
72.00751	2.3
74.02346	27.0
80.85760	1.4
81.04432	1.9
82.02847	3.0
86.02352	10.2
86.05990	2.4
86.98980	2.0
87.05502	6.5
90.00079	2.0
97.03949	2.8
98.20472	2.9
99.05515	23.5
101.02364	1.3
101.07093	4.4
102.05471	2.1
109.03957	3.9
109.07567	1.5
111.05584	1.4
112.03936	2.2
113.09609	2.4
116.01626	1.4
120.01128	1.8
123.05556	2.7
124.03957	1.5
125.03509	1.5
127.05023	6.6
128.03430	68.0
129.03770	2.4
135.05533	6.4
141.06596	4.9
143.04529	100.0
144.04881	3.1
145.06090	4.5
146.04495	8.8
153.06604	5.4
160.00648	20.6
166.09784	3.5
167.04517	4.3
167.08136	4.2
169.04626	1.4
177.03331	11.2
179.04523	19.0
181.06161	2.9
185.05580	2.5
190.34477	1.4
192.07809	1.5
197.05565	3.8
198.08702	2.2
210.08759	17.8
228.09732	1.7
242.07823	2.0
248.43192	1.4
252.13210	1.7
254.07814	30.1
255.08165	3.1
272.08878	39.4
273.09100	3.1
288.06647	13.5
300.02673	1.6
306.07645	86.3
307.07889	7.0
331.08841	1.4
432.18115	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55354	0.4
54.97208	0.5
59.01251	100.0
60.01590	1.0
71.01258	8.5
71.59082	0.5
72.99179	0.5
73.02806	0.4
82.27040	0.4
83.01269	0.5
85.02827	2.4
87.00767	0.5
89.02314	10.0
89.02824	0.6
97.02862	0.5
101.02320	4.5
104.51443	0.4
105.37902	0.4
113.02343	3.8
119.03378	5.4
125.02324	1.0
131.03392	0.7
133.02808	0.4
143.03432	0.8
149.04478	0.7
161.04509	1.5
165.09120	0.8
179.05539	2.8
187.19495	0.4
191.14462	0.7
209.08165	3.5
215.86145	0.4
233.08160	0.8
234.07782	0.4
252.08922	0.9
371.13721	0.9
371.20892	1.7
414.14606	0.6
431.22852	1.1
440.91840	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.4
57.20879	0.4
59.01253	100.0
59.47731	0.3
60.01596	1.3
67.01372	0.4
69.36673	2.8
69.37099	0.9
71.01254	4.5
73.02825	1.1
73.91962	0.3
83.01283	0.6
85.02416	0.4
85.02818	2.1
89.02306	2.5
95.01250	0.7
98.20560	0.8
99.00761	0.8
101.02320	3.1
113.02345	2.1
119.03441	0.9
125.02368	0.7
143.03426	0.5
160.52856	0.4
161.04503	2.4
251.93230	0.3
371.20660	3.1
372.20966	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27961	1.3
59.01253	100.0
59.90268	1.4
61.80391	1.4
62.63437	1.2
67.86787	1.3
69.46871	11.6
71.01250	12.3
73.02801	3.3
83.01292	1.3
85.02825	5.4
87.00775	1.6
89.02324	3.8
89.50583	1.3
99.00752	1.8
101.02313	9.3
108.26391	1.4
111.04488	1.2
111.55596	1.2
113.02315	6.1
119.03362	2.7
120.45445	1.3
144.68109	1.5
161.04462	11.7
168.99554	1.5
227.94684	1.7
236.82245	1.4
265.06305	1.4
303.71899	1.5
312.85916	1.4
371.20795	21.8
372.20807	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20322	0.2
59.01247	0.8
61.52586	0.2
62.96268	0.4
71.35654	0.3
71.36006	0.4
78.95778	77.4
83.12635	0.2
86.70735	0.2
96.95889	0.3
96.96847	5.5
103.16776	0.2
114.72604	0.2
150.97943	1.7
152.99493	100.0
153.99847	1.4
156.15514	0.2
171.00542	2.9
178.77933	0.2
244.42953	0.3
277.21695	1.1
409.11575	0.3
431.22067	7.9
431.27896	0.6
432.22318	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
59.68837	0.4
60.01600	0.8
71.00941	1.1
71.01293	0.8
82.74443	0.5
82.80600	0.4
126.93650	0.5
147.00719	0.5
161.09685	0.8
162.03200	1.0
163.07524	0.5
165.01840	0.5
175.00319	1.7
177.05582	0.7
191.03403	0.7
193.01358	4.7
195.04588	1.1
205.08737	1.7
211.03957	0.6
231.06593	0.6
239.03421	2.6
240.03828	0.6
253.04977	1.1
254.05876	1.5
267.02914	0.8
282.05338	10.1
283.05630	1.2
297.07672	4.0
329.19901	0.6
411.76587	0.6
415.99774	1.1
431.02145	4.5
431.11383	0.8
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
51.59469	0.6
55.01762	1.4
57.03315	2.2
58.00471	0.8
59.01252	81.7
59.71244	0.6
60.01602	0.7
64.38091	0.7
69.03317	2.3
71.01256	19.0
71.60100	1.1
72.99160	1.7
73.02823	21.2
75.00738	1.5
81.03311	0.6
83.01260	20.8
83.04898	1.1
85.02832	4.3
87.00787	1.2
89.02311	5.2
92.71429	0.7
94.42484	0.6
95.01254	1.7
95.04885	0.9
96.99199	0.7
97.02821	0.9
97.06457	0.7
99.00758	0.9
99.04402	13.9
101.02325	15.3
109.02832	0.8
109.06454	0.9
113.02334	10.4
119.03400	2.0
123.04377	1.0
125.02334	2.6
131.03426	1.6
134.03635	0.9
141.01881	1.1
143.03416	1.4
153.09192	1.3
159.04425	0.7
161.04517	2.1
165.12781	4.3
179.05524	0.8
189.12756	2.1
205.97098	0.6
207.13857	11.7
209.11789	38.4
209.15352	1.9
210.12100	1.9
225.14957	9.0
226.15263	0.8
233.11830	0.7
251.12888	4.6
255.02939	2.3
257.04355	0.7
267.16025	2.3
269.13940	100.0
270.14313	6.9
275.12888	2.8
283.02469	1.5
285.03897	0.9
305.13995	0.8
311.15024	5.8
316.08939	0.6
341.16080	1.6
371.16928	4.9
371.20959	1.2
378.77176	0.7
416.07700	0.7
431.09045	1.4
431.13467	2.2
431.18396	8.5
432.19525	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2202
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
59.01241	0.7
62.96271	0.3
78.95777	58.5
96.96844	6.8
102.86426	0.2
118.32266	0.3
150.97917	1.7
152.99490	100.0
153.99843	1.3
160.65178	0.2
171.00557	3.6
210.86615	0.3
277.21808	1.0
431.21951	4.6
432.22281	0.5
452.33066	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53566	0.9
57.03313	1.2
58.00467	1.5
59.01253	68.4
60.01585	1.4
61.34906	0.7
69.11622	1.0
69.50609	5.3
71.01254	27.3
72.99196	3.2
73.02825	1.7
75.00773	0.7
75.82690	0.7
80.51516	0.6
83.01275	1.7
83.04890	0.9
83.23716	0.7
85.02827	6.1
85.43655	0.7
87.00767	1.4
89.02322	19.7
93.03352	1.0
95.01290	2.1
96.07954	0.8
98.20319	2.9
99.04401	27.8
101.02320	11.9
111.04399	1.7
113.02340	8.9
119.03403	8.3
121.06492	1.1
125.02364	1.1
126.67263	0.8
131.03424	0.8
161.04469	2.2
163.14931	0.8
189.12830	5.6
207.13849	27.4
208.14197	2.6
211.03952	0.9
227.03484	23.0
228.03806	2.7
230.31097	0.8
233.11952	1.4
251.12874	100.0
252.13260	5.3
255.02965	26.3
256.03610	2.6
269.14001	1.8
284.00369	1.6
284.03271	20.1
285.03940	5.0
431.09909	24.2
431.18988	19.5
432.10263	3.1
432.19650	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1192
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
57.03324	71.7
59.01249	14.6
68.99661	1.1
69.03316	3.2
69.23635	2.7
69.24049	8.7
71.01250	8.0
73.02811	2.0
81.03334	1.3
83.01246	1.7
85.02824	2.3
91.35852	0.9
93.03356	1.2
95.01233	1.1
97.02830	15.2
98.19762	2.2
99.00821	0.9
99.04395	43.2
100.04736	1.0
101.02322	12.3
108.28849	0.9
108.56561	1.0
113.02287	2.7
125.02338	100.0
126.02635	2.8
137.02316	2.9
161.04459	4.0
193.61504	1.0
203.05511	1.2
225.07843	0.9
241.14014	0.9
243.08885	1.0
247.27052	1.0
279.10608	0.9
377.89310	1.0
431.11765	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	431.156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	5.4
59.01255	100.0
60.01585	1.2
65.01582	1.0
69.46504	2.0
69.46913	7.9
71.01244	5.9
72.99194	1.7
73.02814	1.9
75.00745	1.9
81.62398	0.9
83.01253	1.7
85.02828	4.5
86.02164	1.1
87.00760	1.6
89.02316	1.9
95.01291	1.6
97.02871	1.6
99.00753	1.3
99.04433	2.2
101.02323	3.8
105.82249	1.0
108.16165	0.9
109.02829	1.7
113.02324	2.5
117.05450	1.7
121.02845	1.0
122.03603	1.2
123.00746	1.4
123.04394	1.3
124.01565	1.6
125.01442	1.8
125.02349	34.7
135.04343	1.6
137.02338	3.8
149.02341	1.2
151.03804	1.5
161.02362	4.4
161.04414	2.3
162.02734	1.2
163.00209	1.2
163.07501	1.1
168.00549	3.0
168.99947	2.1
169.01338	31.8
175.03922	1.6
176.04774	1.6
179.03458	7.2
194.05774	8.0
195.06326	1.0
205.03404	2.0
209.08134	18.5
250.06433	1.5
267.07156	1.3
268.07361	1.5
269.07605	2.4
269.10287	8.7
274.88440	1.3
289.07184	2.2
313.05826	1.4
331.06897	1.3
385.07825	7.6
394.22141	1.2
398.61026	1.1
431.11459	15.1
431.16782	1.2
432.12079	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41154	0.8
57.03327	9.5
59.01253	100.0
60.01587	1.1
65.03843	2.3
67.01745	0.9
69.25504	0.7
71.01256	12.1
71.60141	1.1
72.99201	1.1
73.02818	2.2
81.03336	0.8
83.01273	2.6
83.04914	1.6
85.02828	4.5
87.00755	1.5
87.95943	0.7
89.02314	8.1
89.03824	0.8
93.03339	1.5
99.00773	1.3
101.02327	7.5
107.04907	5.1
109.02835	2.3
113.02327	5.1
119.03380	2.5
121.02863	1.2
125.02342	76.0
126.02677	2.8
135.04376	1.2
137.02344	1.7
143.03447	0.8
151.02673	1.6
151.03912	32.2
152.04247	1.2
159.02936	0.9
161.04532	4.6
161.05666	0.9
177.01849	4.9
179.05553	1.2
201.09100	1.3
203.03439	5.0
203.10793	0.8
204.04243	6.9
209.15544	0.8
218.05801	1.2
233.08162	72.3
234.08475	5.6
268.03699	1.2
269.04553	0.9
269.17413	0.8
305.10309	11.7
306.10748	0.9
371.16418	1.2
371.20703	9.0
413.12329	6.4
431.13406	16.3
431.22800	3.5
432.13766	1.4
432.23260	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1191
Annotation	Linderofruticoside B
Peak:m/z	Relative Intensity
57.03328	1.3
57.88364	0.9
59.01258	2.6
63.70838	0.9
71.01240	1.9
71.36533	1.9
72.77203	1.1
77.37434	0.9
97.47887	1.0
108.02045	33.2
123.04395	15.9
125.02350	2.6
126.76978	0.9
137.02275	1.0
152.01053	72.9
153.01570	3.8
167.03407	100.0
168.03754	3.4
265.21411	1.0
299.07602	6.8
346.86218	1.0
364.46118	1.0
431.11957	21.2
432.12195	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0984
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
51.38055	0.6
58.46938	0.6
59.00999	0.8
59.01255	8.8
65.00191	1.0
65.23204	0.6
71.01241	2.4
71.60173	1.1
71.88376	0.6
75.00733	0.7
77.03828	2.7
79.01754	1.6
85.02847	1.0
89.02314	1.7
93.03316	3.1
95.01266	0.9
101.02303	2.4
105.03337	1.2
113.02328	0.9
117.03357	13.7
118.03698	0.8
119.04922	1.3
121.02832	2.8
125.02325	1.1
133.02855	4.2
135.04427	2.4
145.53442	0.7
149.02351	1.5
151.00188	1.1
153.01785	0.9
159.04434	2.7
161.02327	6.3
163.00214	1.3
163.03902	4.0
165.01833	2.8
177.01915	0.8
182.03592	1.2
191.03357	1.2
193.01309	1.0
195.08099	1.0
197.06038	1.9
203.03372	1.0
211.07527	0.8
215.07198	1.2
224.04753	0.8
225.05573	1.1
239.07060	2.3
241.05043	0.9
253.05020	1.3
260.72699	0.8
268.03836	4.8
269.04556	20.8
270.04919	1.6
281.04553	8.9
282.05319	6.6
283.06110	57.8
284.06430	4.3
293.04568	2.3
295.06161	4.3
300.02808	0.9
301.03497	3.1
309.03964	1.7
311.05609	100.0
312.05945	8.3
314.04462	1.4
323.05502	8.0
341.06638	25.0
342.06979	1.5
353.06839	1.5
413.08679	2.3
431.09830	49.0
432.10150	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	429.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98188	0.6
59.01233	0.7
69.26350	3.4
69.26785	3.1
71.04868	0.7
85.06486	0.7
98.20565	1.2
105.33683	0.6
107.04922	0.8
111.04424	4.0
111.08056	1.0
123.04397	1.8
123.08041	1.3
136.93927	0.6
149.23636	0.5
151.03925	6.3
165.05551	1.6
166.02654	1.1
177.01874	1.1
179.03416	1.3
180.04155	1.6
191.10751	1.0
193.04961	2.7
193.08708	1.7
203.07054	4.0
207.06586	5.6
208.07347	6.0
209.08102	1.2
219.06665	1.0
221.08144	73.3
222.08847	14.3
233.08130	10.4
234.08690	1.3
235.09715	9.3
235.17084	0.8
236.10237	0.8
247.09721	2.4
248.10056	0.6
287.12933	2.1
289.14459	1.7
303.15891	1.0
317.14041	1.1
343.19016	1.4
345.16974	1.0
359.18497	1.5
360.19290	2.0
385.27444	1.6
393.79272	0.7
429.26443	100.0
430.26779	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	429.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01580	0.9
71.58748	1.3
78.95767	0.9
80.50961	0.8
89.02319	1.0
91.03875	1.2
95.74186	0.7
96.95881	1.9
103.70748	0.8
108.19566	0.9
118.85062	0.9
142.64337	0.8
195.13753	1.4
287.34375	1.1
295.22800	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	429.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91225	1.2
54.16143	1.2
55.91571	1.3
59.01253	100.0
61.85583	1.2
62.45522	1.2
70.09935	6.2
73.34479	1.2
78.95766	2.0
138.91739	1.2
152.99492	1.9
265.11450	1.5
283.83075	1.2
295.22864	9.5
319.54385	2.0
354.61243	1.5
359.59473	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85611	1.1
53.63358	1.4
59.01252	18.6
66.10995	1.2
70.18093	1.1
71.37677	2.2
75.00721	1.2
79.81657	1.3
86.97349	1.1
89.02347	1.4
93.03350	1.4
100.47587	1.2
107.01307	2.6
138.09377	1.2
145.08092	1.2
151.00356	2.0
159.04419	1.3
163.00325	1.8
175.68767	1.1
179.10684	1.9
183.04454	1.6
185.05962	2.5
187.03918	3.7
211.03990	2.8
212.04880	1.3
225.14980	1.6
227.03450	59.9
227.06863	2.4
228.03845	5.4
229.05016	9.5
230.05617	1.3
239.03442	1.9
241.05089	1.5
255.02975	76.4
256.03516	10.3
257.04474	5.4
267.02991	1.9
284.03268	70.4
285.04031	100.0
286.04358	7.4
348.25433	1.5
379.16519	1.4
431.09821	45.8
432.10080	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	431.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37678	0.4
52.60112	0.4
59.01254	7.0
63.02268	12.7
64.02586	0.4
64.12453	0.4
65.00200	6.4
70.92986	1.1
73.02807	0.8
82.42993	0.4
83.01260	11.0
88.98708	0.6
89.02319	0.7
93.03341	0.6
95.01263	1.5
100.05141	0.4
101.02294	0.7
107.01276	22.3
109.02847	0.6
113.02324	0.7
114.56314	0.4
118.55763	0.4
119.04922	0.4
123.00757	1.2
123.04431	0.9
125.02367	0.6
132.02069	1.9
135.00760	0.5
136.01541	0.7
137.02391	0.7
143.04919	1.2
145.02855	0.8
147.04430	0.9
149.99451	1.3
151.00281	48.0
152.00636	2.0
157.06433	0.5
161.06017	0.5
163.00269	2.5
164.01074	3.9
167.05058	0.5
169.01341	17.5
170.01740	0.8
171.04419	0.8
184.05072	0.4
185.06035	4.6
187.03862	0.8
189.05461	0.7
192.00581	0.6
195.04414	0.5
196.00017	0.7
199.03983	0.8
211.03973	0.5
212.04686	0.7
213.05515	6.4
227.03438	2.0
228.04124	0.9
229.05048	4.6
239.03423	1.0
240.04291	1.5
241.05038	2.5
255.02992	2.4
256.03748	1.4
257.04547	25.5
258.04886	2.1
283.02426	1.5
284.03259	45.3
285.04022	62.8
286.04382	4.3
371.20862	0.5
431.09824	100.0
432.10117	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	429.2644
Annotation	Pittosporatobiraside A
Peak:m/z	Relative Intensity
69.95114	1.6
69.95542	1.4
79.01785	0.7
85.24729	0.5
98.19877	0.8
99.92438	1.2
100.93235	1.5
111.04393	4.5
111.08064	1.2
112.83864	0.4
115.91964	16.2
116.91981	1.7
116.92784	1.6
123.04404	1.6
138.03098	0.6
151.03918	8.9
152.04738	0.7
163.03845	0.5
163.05051	0.5
165.05518	1.1
166.02654	0.6
172.95401	0.8
177.01823	1.4
177.09128	0.8
179.03336	0.9
180.04192	3.8
191.10754	0.8
193.08611	3.0
203.07066	4.7
207.06548	6.2
208.07300	2.1
209.08049	1.1
219.06540	0.9
221.08145	88.3
222.08859	21.9
223.09288	0.9
233.08131	5.3
235.09721	4.7
236.10052	0.6
247.09782	0.8
315.22937	0.6
317.13977	0.8
339.47015	0.5
343.19144	0.5
359.18649	0.9
360.19507	1.2
385.27505	0.7
429.26431	100.0
430.26779	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	429.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.3
58.00476	0.7
59.01253	100.0
69.29049	1.9
69.29469	5.0
69.85645	0.6
71.01257	9.2
72.99192	0.8
73.02848	0.7
80.89935	0.5
80.93755	0.6
83.01277	1.1
85.02810	3.6
87.00750	0.9
89.02322	15.4
95.91193	0.6
96.30292	0.6
97.34521	0.6
101.02337	9.0
101.23151	0.6
113.02342	3.5
119.03389	7.2
121.02819	0.8
125.02348	3.7
143.03444	0.8
145.43568	0.6
161.04503	1.0
168.00594	1.1
179.05550	2.9
181.43623	0.6
185.31676	0.6
191.02008	0.7
207.13797	4.2
211.13487	0.6
219.13939	1.0
221.15643	0.8
231.14143	0.7
249.14934	0.6
429.13980	2.2
429.21176	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64462	0.3
59.01254	100.0
60.01598	0.8
69.58527	2.3
71.01253	6.3
71.01615	0.5
72.99168	0.4
75.00737	0.6
85.02851	1.3
87.00773	0.4
89.02318	8.8
89.02830	0.6
91.29993	0.3
101.02330	2.9
113.02329	2.9
119.03397	2.7
125.02359	0.6
131.03412	0.5
137.67140	0.3
143.03436	0.9
149.04417	0.3
151.58459	0.3
161.04478	0.6
179.05580	1.3
205.90471	0.4
429.20941	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	429.2644
Annotation	Pittosporatobiraside A
Peak:m/z	Relative Intensity
54.32053	1.3
57.92159	1.3
59.01257	11.6
59.45605	1.3
60.08213	1.1
60.21574	1.1
63.70064	1.3
70.87490	3.3
70.87843	1.9
88.12539	1.6
89.02341	1.8
89.02901	1.3
105.02189	1.4
105.21812	1.5
108.16161	1.2
111.04416	3.7
114.41045	1.4
151.03944	3.7
151.78018	1.4
155.14369	1.5
166.02684	2.1
191.03362	2.1
207.06558	4.8
208.07329	11.6
219.06593	8.8
221.08148	46.9
222.08713	3.3
233.08185	10.2
234.08876	11.3
235.09738	1.7
247.09660	3.3
289.14484	14.4
290.15039	1.8
303.15930	8.5
360.19376	9.8
385.27563	5.5
386.27701	1.5
429.26440	100.0
430.26840	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62736	0.8
59.01252	100.0
60.01577	0.9
71.01254	10.5
73.02843	0.7
82.85385	0.8
83.47179	0.9
83.90787	0.8
84.20560	0.7
85.02796	1.1
88.15620	0.7
89.02315	21.2
98.19809	3.0
101.02321	6.7
101.75668	0.8
113.02323	5.7
119.03407	8.7
131.03424	1.2
137.09624	1.5
143.03358	1.6
149.04466	1.1
161.04462	3.2
175.40738	0.8
179.05505	4.7
221.82321	0.7
379.87628	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00467	0.9
59.01252	100.0
60.01582	1.7
63.00380	0.6
69.34369	5.9
71.01250	10.5
72.99188	0.7
83.01276	1.7
85.02824	3.8
89.01765	0.8
89.02313	11.5
98.20514	1.0
98.88668	0.5
101.02325	10.6
113.02349	2.5
118.11224	0.6
119.03378	7.3
123.69902	0.6
131.03453	0.7
143.03391	0.7
161.04507	1.3
165.12811	1.3
179.05571	2.5
191.01817	1.2
207.13817	3.6
219.14069	0.6
249.15028	1.2
269.12924	0.7
429.20987	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66828	0.3
59.01244	0.4
61.72653	0.3
70.73162	0.3
71.49453	0.4
79.49603	0.3
87.36054	0.3
99.00747	0.4
99.92450	5.2
100.93227	3.2
111.48490	0.3
113.92482	0.3
115.91959	100.0
116.91962	4.5
116.92747	6.3
132.92278	1.3
172.95409	4.3
221.08203	2.1
222.08925	0.5
255.23357	0.7
355.15857	0.8
378.90521	0.3
381.17239	0.7
429.19583	2.6
429.26450	1.9
430.26761	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.0
59.01252	100.0
60.01590	1.2
60.37727	0.3
69.49640	3.1
71.01255	10.4
71.04889	0.5
72.99214	0.7
73.02816	2.7
75.00723	0.5
83.01262	1.3
83.62460	0.3
85.02821	3.8
87.00739	0.9
89.02322	5.1
95.01274	0.7
97.02819	0.7
99.00780	0.8
101.02312	4.8
107.04895	0.8
107.42721	0.3
107.99644	0.4
108.02108	1.5
108.07973	0.3
109.02856	0.7
111.04414	0.4
113.02331	4.6
115.00246	0.3
119.03400	1.6
121.02859	0.4
125.02352	1.0
135.04434	0.9
137.02371	0.5
137.09601	0.8
138.06792	3.5
143.03427	0.5
149.04385	0.4
151.03851	0.4
152.01027	2.0
152.08337	0.5
153.01810	0.4
153.09129	10.4
161.02281	0.5
161.04475	2.4
161.09669	0.6
161.13321	0.6
161.25667	0.4
163.04034	0.4
179.05598	0.6
187.11229	1.2
189.09218	0.6
205.12312	1.8
207.10316	1.3
207.13849	0.9
214.04720	0.3
223.13380	4.0
224.13646	0.5
225.14915	13.1
225.17123	0.7
226.15294	0.8
234.00813	0.3
235.09750	3.6
241.05135	0.4
249.11404	1.7
267.12469	2.7
274.47287	0.3
283.10068	0.6
297.13461	0.6
324.24899	0.3
325.10770	1.9
337.56512	0.4
369.19345	1.7
383.47696	0.4
387.20337	1.3
429.10056	0.6
429.17255	0.8
429.22028	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.0
59.01251	100.0
60.01586	1.3
62.10009	0.8
66.11475	0.7
69.71193	5.6
71.01245	13.1
73.02820	12.4
73.03197	1.5
79.02834	0.8
83.01260	4.7
85.02841	3.0
88.27715	0.8
89.02322	3.3
95.01247	1.0
98.19841	1.6
101.02320	12.1
105.60125	0.8
113.02323	5.4
125.02354	0.9
131.03392	1.2
138.27429	0.8
161.04449	1.6
163.11223	1.1
165.09088	1.1
198.81149	0.9
207.10225	1.4
210.42300	0.8
253.88100	0.8
255.02927	1.2
340.87112	1.0
387.16983	1.2
416.08646	0.9
429.17639	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	429.2128
Annotation	Dehydroradiosumin
Peak:m/z	Relative Intensity
55.01767	1.3
57.03324	2.1
58.00490	1.0
59.01253	100.0
60.01560	1.1
65.12315	0.5
67.60000	0.5
68.38347	0.4
68.88272	0.5
71.01257	21.9
72.99184	1.2
73.02822	7.0
75.00768	0.8
75.43547	0.5
78.08521	0.4
83.01247	2.7
84.02081	0.6
85.02821	7.7
87.00761	1.7
89.02324	11.9
89.02834	0.9
95.01276	1.9
98.20642	1.1
99.00779	1.8
101.02324	15.1
107.58896	0.5
109.02869	1.1
113.02323	8.3
119.03413	5.1
124.25507	0.5
125.02341	1.0
136.81494	0.5
137.02379	0.7
137.09653	1.3
139.37357	0.5
143.03424	1.8
149.04578	0.7
151.07524	0.6
152.08435	0.7
153.12767	0.9
161.02414	0.8
161.04477	2.1
189.09177	0.6
193.62444	0.5
195.13855	1.1
197.15408	1.7
205.12244	0.7
207.13968	1.6
225.14896	9.3
230.43973	0.5
241.05130	0.7
283.09894	0.7
308.24875	0.5
325.10687	2.4
369.19177	22.7
370.19629	1.2
374.07028	0.5
387.20230	39.8
388.20621	5.2
429.21310	9.7
430.21799	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07577	1.2
57.03305	3.6
59.01252	100.0
66.18057	1.2
67.65998	1.2
69.70143	5.1
69.70551	3.5
71.01252	25.2
71.04889	1.6
72.08314	1.2
72.99178	1.8
73.02811	2.7
82.12077	1.1
83.01253	3.3
85.02821	6.5
87.00723	6.3
89.02318	19.4
95.01213	2.2
97.02854	1.4
99.00738	2.7
101.02324	13.3
107.04892	6.8
113.02325	11.7
119.03387	8.2
119.04101	1.5
120.05695	1.9
125.02320	1.7
135.04425	3.0
141.05437	1.5
143.03386	2.1
152.01057	4.2
159.08058	1.4
161.04445	5.1
161.09618	8.6
161.13306	6.6
163.11157	1.6
179.05557	2.4
179.59647	1.4
182.09187	1.3
187.11201	13.1
189.09131	7.7
203.10658	2.3
205.12305	10.5
207.10333	2.4
223.13356	65.4
224.13678	5.8
229.12186	1.5
235.09735	3.1
249.11336	14.3
250.11601	2.0
267.12369	51.0
268.12613	2.2
297.13467	3.1
309.13394	1.6
428.82678	1.4
429.17578	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	429.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90536	0.8
54.20076	0.6
57.03313	2.3
58.00465	2.3
59.01251	100.0
59.42458	0.7
60.01579	1.5
69.32540	7.5
71.01252	23.0
71.18280	0.6
72.99207	1.1
81.06992	0.9
83.01277	1.3
84.56118	0.8
85.02840	3.9
86.84052	0.7
87.00765	1.6
87.95381	0.7
89.02318	23.9
95.01263	1.7
96.20271	0.6
97.02845	0.7
99.00754	0.8
99.04419	3.4
101.02316	12.6
101.02899	1.0
108.02031	4.9
109.02848	4.1
113.02336	9.4
119.03378	11.5
125.02331	1.3
131.03380	1.1
143.03378	2.1
149.04472	1.3
152.01067	4.8
153.01859	7.6
161.04463	0.7
161.13257	12.9
163.03853	0.8
177.01732	0.8
179.05559	2.8
181.04955	1.1
187.11339	1.4
205.12289	22.6
206.12637	1.5
249.11287	38.6
250.11700	2.3
315.53711	0.7
429.10666	2.1
429.17740	11.2
430.17798	1.9
447.12091	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.2
58.00470	3.8
59.01253	100.0
59.98399	1.1
60.01579	1.4
65.27104	0.9
67.63987	0.9
68.84924	0.8
69.37376	4.8
69.37801	4.7
71.01257	48.8
72.99200	4.5
73.02814	1.6
77.83630	1.0
81.06980	1.8
83.01249	1.5
83.04910	1.4
85.02831	9.5
87.00767	1.9
89.02319	53.4
90.02603	0.9
95.01269	3.9
98.19830	1.8
99.04391	7.4
101.02328	24.7
101.47253	0.9
111.04403	2.9
113.02337	16.9
119.03394	22.8
125.02332	1.3
125.05917	1.0
125.54376	1.0
131.03413	1.5
143.03438	2.3
149.04425	1.1
161.04498	4.5
161.13272	21.0
162.13661	2.2
179.05551	9.3
187.11189	5.4
205.12282	62.7
206.12605	3.9
224.06889	3.1
225.07756	4.6
249.11313	67.1
250.11710	5.4
292.80356	1.0
354.27698	1.1
429.17807	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	429.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.4
58.00473	2.6
59.01253	100.0
60.01587	1.0
63.80675	1.0
71.01256	37.6
72.99196	1.7
73.02821	2.1
75.00785	0.9
81.06963	1.0
83.01242	1.1
85.02821	6.4
87.00762	1.7
89.02319	41.1
95.01272	2.4
99.04396	4.7
101.02323	19.6
113.02338	15.1
114.49572	0.9
119.03387	16.8
125.02330	0.8
130.49420	0.8
131.03442	0.8
143.03407	3.3
149.04376	1.2
161.02325	1.5
161.04471	2.4
161.13269	18.1
162.13638	1.4
168.25949	0.8
174.63855	0.8
179.05516	4.0
187.11241	1.6
205.12280	38.5
206.12576	3.1
217.13930	0.9
223.13396	2.2
223.60651	0.9
224.97401	0.8
231.65901	0.9
242.05913	1.5
249.11305	46.4
250.11653	3.8
255.02971	1.1
267.12335	1.5
283.09888	1.1
284.03189	1.9
325.10861	3.6
429.17444	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	429.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.3
59.01255	20.1
67.58153	0.2
69.33126	2.6
71.01266	1.6
71.58659	0.2
72.99187	0.4
74.84354	0.2
75.00746	0.9
75.12733	0.2
78.77347	0.2
83.01261	0.3
85.02826	2.7
87.00756	0.5
89.02311	0.6
91.53790	0.2
95.01216	0.3
99.00761	0.6
100.39778	0.3
101.02326	0.6
108.02039	0.3
109.02808	0.5
111.00780	0.4
113.02345	1.4
121.02836	0.7
122.03635	22.2
122.17876	0.3
123.00814	0.3
123.03975	0.7
124.01566	2.6
125.02355	0.5
129.01860	0.4
135.02922	0.5
135.04408	0.7
136.01582	0.6
137.02336	4.3
139.00293	0.2
147.04434	1.7
149.02251	0.4
153.01888	0.6
154.02634	3.7
156.54468	0.2
161.02325	0.8
163.07564	100.0
164.07898	5.6
165.01781	0.3
165.05481	1.5
169.01311	0.3
179.03481	0.6
179.07091	0.8
189.05544	0.4
203.07153	0.3
207.06584	8.5
225.07652	2.7
239.03362	0.3
249.06227	1.0
267.07166	1.7
267.08847	1.2
325.12912	9.7
326.13373	0.6
369.11899	2.4
387.12762	0.3
391.64856	0.2
425.50940	0.3
429.14337	2.7
430.14673	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	3.8
59.01250	100.0
68.85670	1.2
69.33421	11.9
69.33828	2.7
71.01247	7.9
73.02813	2.6
83.01281	2.7
85.02827	4.0
89.02320	2.3
95.01238	1.3
98.19784	2.7
99.04406	2.3
101.02303	5.9
108.02042	2.9
113.02345	4.8
116.39728	1.2
123.04393	4.7
125.02327	1.7
152.08617	1.3
152.54193	1.4
153.09000	1.7
165.09094	5.1
183.66811	1.4
184.26604	1.2
205.12236	2.9
225.14920	4.7
290.65292	1.4
309.13306	8.1
327.14359	6.7
369.15308	2.7
369.19211	3.2
387.20169	4.4
422.86975	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17719	0.2
55.01760	1.7
57.03327	1.2
59.01254	14.8
68.99698	0.8
69.03336	2.1
69.31889	3.1
71.01257	6.9
72.99194	1.9
73.02822	1.5
79.01778	0.4
81.03336	2.7
83.01257	1.2
83.04900	0.3
85.02827	7.1
87.00764	0.7
89.02316	1.0
93.03342	1.8
95.01270	5.3
97.02844	2.2
99.00737	1.7
101.02343	1.5
107.01260	0.4
107.04903	0.4
107.17950	0.3
108.02058	96.0
109.02847	70.0
110.03168	2.1
111.00781	0.3
111.04388	0.3
113.02330	2.6
114.85909	0.3
117.67271	0.3
119.03410	0.5
119.04911	0.3
121.02849	3.3
122.03621	0.6
123.00780	4.2
123.04409	1.5
125.02337	2.8
133.02861	0.8
135.00777	1.1
135.04422	0.8
136.01596	0.3
137.02333	1.0
137.05977	0.5
149.02312	0.6
150.03175	0.6
151.03914	1.8
151.07576	0.5
152.01064	100.0
153.01849	57.4
154.02191	1.9
161.04456	0.7
163.03909	2.3
165.01859	2.3
165.05493	0.3
177.01855	0.7
181.04955	0.7
182.02100	0.7
187.03931	0.5
191.03413	0.4
193.04926	0.4
195.02922	1.0
195.06534	1.3
207.02921	0.4
219.06514	0.8
225.03947	0.6
289.67694	0.3
295.26019	0.3
297.06171	1.1
315.07236	4.7
357.08157	1.1
359.93622	0.3
371.06418	1.4
411.09238	2.1
412.09506	0.5
429.10355	99.2
430.10742	9.9
430.16721	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.14
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45155	0.3
53.77754	0.3
57.03329	0.8
59.01253	26.3
69.64821	0.3
71.01260	1.4
71.58650	0.5
72.99154	0.5
73.02827	0.3
75.00743	0.7
84.09430	0.3
85.02824	4.1
87.00741	0.5
89.02329	0.5
92.44243	0.3
101.02338	0.3
108.02077	0.5
109.02837	0.7
111.00780	0.6
113.02337	0.6
121.02857	1.9
122.03629	18.4
123.03992	0.5
124.01528	1.9
125.02353	0.7
129.01837	0.5
135.02890	1.6
135.04413	0.7
136.01604	0.5
137.02333	4.3
147.04431	1.4
149.02347	0.4
152.01085	0.4
153.01790	0.5
154.02641	3.7
154.91028	0.3
161.02367	0.6
163.07561	100.0
164.04660	0.3
164.07898	4.5
165.05469	4.9
166.05894	0.3
178.02702	0.4
179.07227	0.3
205.03517	0.7
207.06575	7.1
208.06772	0.4
211.59172	0.3
213.14424	0.3
223.04460	0.5
225.07678	6.0
226.08064	0.4
267.06805	0.5
267.08737	2.4
297.13412	0.5
325.12921	11.9
326.13330	1.1
369.11859	3.0
429.14148	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	429.104
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85056	0.1
55.01760	0.1
55.92704	0.1
57.03321	0.2
57.23479	0.1
58.00482	0.1
59.01252	10.9
60.01610	0.1
61.98714	0.1
65.00194	0.1
65.03835	5.4
66.04167	0.1
67.01759	2.5
68.61417	0.1
71.01253	2.1
71.60181	0.1
72.36533	0.1
72.99181	0.2
73.02818	0.4
75.00748	0.1
78.73050	0.1
81.03355	0.2
81.69341	0.1
83.01263	0.2
83.04887	0.1
85.02822	0.7
87.00777	0.2
89.02322	1.6
91.01772	4.4
92.02110	0.2
93.03362	0.1
95.01266	0.2
95.04900	0.1
97.02844	0.2
99.00772	0.4
99.04439	0.1
101.02331	1.0
107.04915	0.1
109.02838	39.6
110.03173	1.0
111.04444	0.1
113.02329	0.7
115.03930	0.1
119.03387	0.5
121.02840	0.2
123.04427	0.2
125.02310	0.5
133.02867	0.2
135.00778	20.4
136.01088	0.7
136.07520	0.1
137.02361	0.3
137.05981	0.9
143.03423	0.1
149.02303	0.2
149.04376	0.1
151.03909	0.3
152.01147	0.2
153.01842	100.0
154.02184	3.2
159.02975	0.1
161.04454	0.5
161.09636	0.2
161.13301	0.3
163.03908	0.2
167.03467	0.1
169.01343	0.1
175.04015	0.1
177.01900	0.3
177.05414	0.1
179.05495	0.2
181.04997	2.5
187.11327	0.2
191.05676	0.1
195.02992	0.2
195.06516	0.1
203.07089	0.1
203.27884	0.1
205.05051	0.6
205.12292	0.4
207.13806	0.1
214.78624	0.1
223.06032	0.2
223.13326	0.8
225.05412	0.1
235.06050	0.1
249.11263	0.8
257.98557	0.1
267.12372	0.5
285.04004	0.1
297.06125	0.4
303.54611	0.1
321.43805	0.1
380.45984	0.1
385.11554	0.4
429.10364	4.0
429.21222	0.3
430.10883	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.7
57.03333	2.7
58.00473	0.8
59.01250	14.9
59.01534	1.0
59.70728	0.5
65.09389	0.6
69.03343	1.0
70.29668	2.3
70.30007	0.7
71.01256	23.9
72.99181	3.7
73.02825	1.1
75.00747	11.7
83.01283	1.1
85.02826	23.1
87.00756	9.3
89.02314	6.5
91.03920	1.0
95.00751	0.8
95.01261	4.6
99.00768	6.6
101.02390	0.8
103.00272	2.5
113.02334	35.0
114.02672	0.8
115.00229	0.7
117.01820	2.6
122.03603	1.2
129.01875	3.0
131.03397	0.8
133.02841	8.5
134.03629	2.4
135.04419	23.2
136.04726	0.6
137.02319	0.6
157.01355	0.6
161.02356	30.9
162.02730	1.1
163.07536	5.6
175.02402	2.1
179.03435	11.7
207.05003	1.8
249.06123	5.7
253.07216	3.0
267.07205	100.0
268.07495	3.4
281.13943	1.5
411.09128	0.6
429.10327	27.7
430.10632	2.4
446.94092	0.6
454.49979	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.5
57.03334	5.6
59.01254	29.7
62.94262	1.2
68.51238	1.0
69.03340	1.8
70.72146	1.3
70.72477	2.7
71.00889	2.1
71.01254	27.8
72.99181	5.6
73.72898	1.1
75.00750	14.7
83.01250	3.0
85.02827	36.7
87.00759	11.6
89.02321	6.2
95.01266	4.9
99.00758	9.8
101.02306	1.8
103.00255	3.3
109.02799	2.1
111.00766	4.7
113.02337	35.2
115.00292	1.6
116.96439	1.0
117.01821	1.3
121.02889	1.3
122.03648	14.4
123.00742	2.3
124.01563	2.4
125.02354	8.0
129.01828	6.2
131.19182	1.1
133.02856	11.5
134.03635	3.9
135.04419	27.5
136.04765	1.4
137.02306	4.5
139.00267	1.1
142.18044	1.1
149.02339	1.2
153.01807	1.5
154.02647	3.0
161.02351	33.8
163.07559	60.1
164.07823	2.4
165.05453	3.0
169.01349	6.2
175.02443	1.9
177.01906	1.2
179.03415	10.5
205.03436	3.1
207.04910	2.7
207.06613	4.0
213.64618	1.3
225.07640	2.6
249.06078	5.4
253.07181	2.5
267.07211	100.0
268.07553	3.8
295.08380	1.2
325.12997	6.0
349.19528	1.1
378.49805	1.1
411.09091	1.5
429.10153	31.0
430.10550	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
71.06370	2.8
76.61015	1.0
91.03882	2.1
218.74461	1.0
293.21246	10.9
354.33310	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70548	19.8
59.01247	79.0
61.98711	35.5
63.14994	20.7
68.28976	24.9
70.71803	49.8
70.72169	41.3
71.01256	31.6
78.95777	47.7
79.95602	34.3
85.29651	21.5
89.06681	20.6
91.58775	21.4
96.95904	58.7
98.19940	23.2
98.20448	34.1
103.67233	21.2
107.99210	21.3
182.10124	23.6
192.68781	24.7
208.36006	23.9
265.07040	25.9
290.97095	64.4
329.23343	30.1
344.94479	45.9
373.02505	30.2
427.20435	100.0
427.27084	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	429.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.9
58.37788	1.0
59.01250	18.3
62.74168	1.2
64.30083	1.4
68.99720	1.2
70.97883	3.2
71.01256	18.0
72.99201	1.9
75.00745	10.2
85.02821	20.5
87.00760	7.5
89.02332	6.0
90.21934	1.2
93.03312	1.5
95.01257	3.2
96.05762	1.3
99.00771	8.0
101.02325	2.1
103.00262	1.9
111.00756	1.7
113.02335	26.4
115.00956	1.1
117.01843	1.5
122.03657	6.4
125.02349	1.9
129.01851	2.6
131.03378	1.3
133.02847	5.0
134.03624	2.3
135.04419	53.0
137.02354	3.0
143.64644	1.1
160.05562	1.1
161.02356	25.1
163.07561	35.6
164.07925	1.8
165.05492	1.6
170.66710	1.3
175.02451	1.2
179.03348	8.7
205.03426	1.5
207.04889	2.4
207.06625	3.8
225.07730	1.4
237.59236	1.1
249.06152	7.1
253.07178	2.4
262.11151	1.4
267.07184	100.0
268.07568	4.4
281.13797	1.7
304.14511	1.1
325.12943	2.9
337.09351	1.2
369.12027	1.6
429.10135	31.3
430.10309	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	427.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26418	0.9
54.88190	1.0
59.01250	100.0
69.48542	1.1
69.98724	3.9
69.99133	1.7
78.95793	2.6
96.95852	1.4
98.19805	1.2
99.92402	1.3
116.26115	1.0
249.93474	1.0
254.36449	1.1
268.15469	1.1
293.21277	6.0
294.21451	1.3
367.13556	3.9
428.10486	1.2
432.82434	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87922	2.2
59.01254	100.0
68.96159	2.0
71.45454	5.3
80.75598	2.4
90.61741	2.3
152.08745	2.3
152.25131	2.0
155.96387	2.4
170.34920	2.3
293.21198	8.0
330.05453	4.5
367.13425	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01575	1.7
60.72767	1.6
61.48733	1.3
67.93479	1.7
96.95883	4.0
115.10194	1.4
116.73904	1.4
145.13397	1.6
197.70940	1.6
250.01663	1.3
276.15781	1.4
293.21259	7.2
312.67194	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	427.27
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03389	1.0
57.17725	1.0
58.30515	0.9
59.01254	100.0
60.01596	1.5
60.95945	0.9
71.35692	1.5
71.36008	1.2
78.95778	1.0
86.34312	1.0
87.09231	1.2
91.03896	2.5
96.95949	1.3
117.41028	1.0
127.84098	1.2
127.94003	1.2
158.39061	1.1
164.35258	1.1
228.14326	1.2
265.55017	1.1
275.20102	2.1
293.21234	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	427.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	1.2
59.01255	100.0
60.01601	1.1
63.00963	0.4
63.76299	0.4
65.56411	0.4
69.03345	0.5
71.01257	13.9
71.59768	0.7
72.99181	0.9
73.02831	3.9
74.09296	0.4
77.57843	0.4
83.01276	1.7
85.02828	5.9
87.00792	1.4
89.02328	3.5
94.59781	0.4
95.01270	9.1
97.02851	1.7
99.00772	1.7
101.02326	3.6
101.02821	0.4
107.04931	0.4
109.02872	1.0
111.00806	0.8
113.02338	9.0
113.03062	0.7
113.05999	0.9
119.03437	0.7
123.00769	18.6
123.08028	0.8
124.01604	5.6
125.02347	7.1
125.06010	0.7
131.03441	0.6
135.04456	0.5
136.05226	1.1
137.02361	2.8
138.06775	4.5
139.00258	0.8
139.07559	1.4
141.01843	0.5
149.02374	1.2
149.04498	1.1
149.06029	0.5
151.07562	4.4
152.08345	13.0
153.09128	21.3
154.09521	1.4
161.04456	2.8
161.09654	0.7
163.11171	0.6
164.00987	2.4
164.04738	0.6
165.01782	0.7
165.09143	0.8
166.99776	8.4
168.00575	4.1
169.01341	8.7
169.02756	0.5
170.01649	0.5
175.00351	0.6
175.04015	0.4
177.01811	0.6
177.05525	1.2
181.01349	2.1
190.02740	0.5
192.08037	0.4
193.08563	0.6
203.07079	2.1
205.05060	0.8
205.12305	10.7
206.12645	1.2
210.95181	0.5
211.02457	0.4
220.07539	0.4
221.04520	1.0
221.08139	3.6
222.38455	0.4
223.13295	2.0
227.23967	0.4
264.06387	1.0
265.07227	4.6
329.05319	1.8
330.05930	26.4
331.06134	2.0
350.94171	0.4
367.17645	6.3
368.18134	0.5
383.13770	0.4
385.18677	1.0
397.65396	0.4
427.12341	7.9
428.12930	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.0
57.03325	1.3
57.04798	0.6
58.00476	0.7
59.01250	100.0
60.01593	1.3
67.43052	0.6
69.03329	1.4
69.61124	4.2
71.01256	16.7
73.02818	12.9
83.01275	3.6
85.02810	4.9
87.00738	0.8
88.81949	0.7
89.02328	3.8
89.11626	0.6
91.62261	0.5
95.01259	1.5
95.04909	1.1
97.02842	1.9
98.19793	1.2
99.00777	1.0
101.02324	10.7
101.31228	0.6
108.05691	1.5
109.06463	1.0
111.04414	0.9
113.02334	8.9
113.05993	1.8
119.03388	1.2
123.08072	1.1
125.02366	1.7
131.03445	1.1
136.05180	2.0
137.06079	0.7
138.06767	9.3
139.07561	3.0
149.04469	6.1
149.05571	0.8
151.07541	9.0
152.08334	21.3
153.09120	52.0
154.09470	2.7
161.04477	3.9
163.11250	1.3
164.04683	0.8
165.09151	2.1
167.07053	1.5
189.09184	0.8
190.09943	1.3
205.12263	18.6
205.14046	1.2
206.12563	1.0
223.13304	5.9
309.91504	0.6
367.17581	4.1
385.18842	1.8
427.19592	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	427.1973
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
51.01334	0.5
51.45250	0.5
54.75011	0.5
55.01750	2.1
57.03322	3.0
57.85599	0.5
58.00457	1.9
58.96600	0.5
59.01253	48.4
66.23621	0.5
69.40610	3.9
69.41010	1.3
71.01254	36.8
72.99179	2.2
73.02824	6.0
83.01262	4.0
83.04902	1.5
84.21197	0.5
85.02822	12.4
87.00748	5.4
89.02319	19.1
95.01252	2.5
97.06445	1.0
99.00755	2.5
101.02323	22.1
107.49262	0.6
109.02824	1.1
111.03640	0.7
111.04402	10.3
113.02329	12.2
116.54828	0.5
119.03397	7.1
121.06495	1.2
125.02337	1.3
125.09624	0.6
131.03409	0.9
135.08070	1.1
137.09651	3.1
138.06711	0.9
143.03485	0.7
147.08038	1.9
151.07578	0.8
152.08319	1.7
153.09154	2.7
159.02979	1.1
161.04439	2.4
165.09160	2.9
165.65675	0.6
177.09251	0.9
185.13281	2.4
187.11186	2.1
187.19157	0.7
203.14339	11.1
204.14764	0.6
207.08826	0.5
211.64238	0.6
215.16933	0.6
221.15425	2.0
225.11240	1.1
247.13420	1.5
265.14474	1.3
304.52444	0.6
427.19696	100.0
428.20093	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	427.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86546	1.2
56.78812	1.1
57.03318	2.0
58.00464	1.8
59.01254	100.0
63.61066	1.1
65.96211	1.1
69.28513	8.3
69.28938	3.9
71.01255	29.8
72.03616	1.0
72.99171	1.9
73.02820	8.0
75.00761	1.3
83.01259	2.3
85.02818	6.2
87.00773	2.4
89.02322	33.5
95.01262	1.8
98.01146	1.2
99.00750	1.3
101.02327	13.4
109.02842	3.0
110.03168	1.1
113.02328	11.6
119.03392	12.1
125.02387	3.3
131.03453	2.7
133.02817	1.2
134.03629	2.7
135.04451	1.8
143.03375	2.6
149.02435	2.1
149.04530	1.5
153.09140	2.9
155.08162	8.7
161.04510	2.4
164.01039	7.0
164.04738	1.5
177.05486	1.8
179.05495	5.4
187.11246	15.4
187.86183	1.0
188.11412	1.3
190.09920	1.1
191.03481	1.4
192.07819	1.4
193.08675	2.6
203.03470	1.3
205.12308	16.1
209.11722	5.4
221.00836	1.4
221.08153	5.7
227.13890	3.4
231.02997	2.0
265.07184	3.2
367.98611	1.3
383.13278	2.3
395.14621	1.9
427.12402	9.6
427.19327	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15222	0.8
51.14313	0.8
57.99237	0.8
59.01260	6.3
66.97063	0.7
69.52929	5.5
71.01221	0.8
71.40933	0.7
85.02841	0.8
91.15685	0.8
93.03335	1.3
99.86570	0.8
113.90572	0.8
121.02835	12.6
123.96838	0.8
125.02274	1.1
128.03368	1.1
134.03627	1.0
135.04388	1.6
137.02341	1.2
149.02341	97.8
150.02679	3.8
152.01045	3.5
163.03873	4.0
164.04697	100.0
165.05020	2.8
169.04948	2.3
177.05615	1.0
179.07053	42.7
180.07346	2.9
193.01352	7.1
208.03716	18.9
208.05531	1.6
209.04108	1.6
223.06061	86.5
224.06351	3.5
238.59883	1.0
265.07095	2.1
367.10184	2.2
427.12720	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	3.1
59.01256	25.3
69.71332	3.8
69.71758	8.0
69.74749	1.9
71.01241	5.3
72.99174	3.4
73.02801	3.6
82.14186	1.8
85.02833	7.2
87.00748	4.5
89.02306	6.7
93.03368	2.1
95.01263	23.1
99.00741	2.6
101.02306	3.3
104.50089	2.0
108.02056	3.8
109.02833	7.3
111.00766	2.6
113.02318	3.7
123.00779	58.6
124.01571	26.6
125.02345	21.3
131.03368	2.6
134.03627	5.1
136.01509	2.0
137.02361	15.4
138.03146	4.7
149.00941	2.3
149.02272	6.5
149.04449	9.3
150.03171	3.1
161.51726	2.0
163.03877	3.2
164.01070	94.0
164.04686	6.8
165.01651	6.0
166.99779	26.4
168.00557	13.2
169.01343	25.9
177.01802	6.5
177.05478	15.8
181.01340	6.2
189.01784	4.1
191.03346	2.7
191.07048	5.5
192.07826	8.2
193.01311	5.3
193.08650	25.3
203.07109	4.5
205.05006	4.6
220.07309	3.6
221.00810	7.7
221.08144	79.5
222.08446	5.8
235.06227	2.7
236.06850	4.1
247.06033	2.6
259.02930	2.4
264.06335	7.8
265.07169	38.5
285.20642	2.0
309.09406	2.4
329.05164	6.1
330.05942	65.2
331.06177	4.0
383.13437	18.6
427.12384	100.0
428.12500	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	425.291
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39552	0.7
59.01252	1.6
62.30136	0.6
63.13776	0.7
78.95748	0.7
98.20674	1.4
101.01511	0.7
103.29817	0.6
134.72374	0.7
137.05969	1.1
149.30919	0.6
152.99527	1.6
217.16019	1.1
245.19011	1.9
289.25360	2.4
315.23291	1.0
333.24359	100.0
334.24680	11.9
351.25433	14.0
352.25723	1.2
365.11899	3.1
425.28976	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.3015
Annotation	Tortifolisine
Peak:m/z	Relative Intensity
51.70982	1.8
54.19170	1.5
55.39233	1.5
58.02856	7.9
59.01250	2.6
64.40905	1.6
72.00785	12.2
73.03883	1.9
74.15108	1.9
77.16798	2.1
78.94457	2.1
84.09039	1.6
84.10385	1.5
84.77337	1.9
91.05437	2.2
96.95898	4.0
98.20575	4.3
100.85166	1.7
147.04416	41.3
148.04788	2.3
164.07082	96.5
165.07462	3.1
229.57814	2.7
278.24936	2.3
332.07138	2.0
377.85596	1.8
382.31073	3.0
426.30206	100.0
427.30472	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	427.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44184	1.3
54.22395	1.2
55.01752	2.6
59.01252	35.5
69.03312	3.0
71.01237	4.0
73.02824	10.0
82.93749	1.2
89.01803	2.0
89.02317	15.1
93.87392	1.3
99.00758	2.6
101.02328	2.5
103.00254	3.0
106.04156	1.5
123.00774	1.2
124.01472	1.5
131.03410	9.4
147.08052	4.7
149.04465	100.0
150.04823	1.6
164.01132	1.9
185.00851	2.1
191.07072	3.2
205.12198	1.3
209.08089	5.1
326.75726	1.4
366.11633	1.2
427.12506	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	427.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52788	1.0
50.89722	1.1
55.01754	1.4
59.01254	14.3
62.40542	1.1
65.59467	1.1
68.75452	1.1
69.56213	1.2
69.56818	7.4
71.01260	4.6
73.02830	3.6
75.94172	1.0
81.03324	1.2
89.02316	2.5
92.80516	1.2
95.01265	7.9
97.32849	1.2
98.20540	1.6
99.00775	1.4
101.02320	2.0
103.85309	1.2
109.02830	2.6
113.02348	1.7
123.00782	25.5
124.00771	1.6
124.01578	19.7
125.02358	7.2
131.03299	3.0
137.02374	7.3
138.03114	4.9
147.08081	1.6
149.02382	3.6
149.04477	25.6
150.03133	2.3
152.01027	1.4
163.03909	1.6
164.01067	67.2
164.04733	4.4
165.01680	2.7
165.09116	1.7
165.51541	1.3
166.99808	8.7
168.00581	7.8
169.01331	10.9
177.01865	4.5
177.05501	15.5
181.01355	2.5
189.01907	2.3
190.49178	1.2
191.03571	1.7
191.07040	3.7
192.07811	5.7
193.01387	3.4
193.08641	18.8
203.07034	2.1
219.06606	1.3
220.07285	3.0
221.00937	6.0
221.08141	68.2
222.08533	3.5
231.66664	1.1
235.06178	2.2
236.06946	2.3
237.07628	1.8
247.06261	1.2
264.06415	2.8
265.07166	20.7
329.05289	1.9
330.01947	1.9
330.05911	37.5
331.06329	2.5
335.21191	1.1
342.50400	1.3
383.13501	15.3
427.12436	100.0
428.12784	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	425.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	9.1
59.01257	46.0
69.22988	25.3
69.23415	66.0
71.01240	23.4
78.95747	12.0
83.01250	8.5
85.02851	8.5
93.03332	8.1
97.02836	17.1
101.02282	14.0
101.55513	7.8
109.02811	12.2
111.08054	7.3
113.02312	14.7
113.05960	15.1
116.92737	18.3
119.08498	9.7
123.08006	13.5
125.02296	19.5
125.05961	27.3
136.05177	10.7
137.02322	10.5
137.05896	9.0
138.06694	19.3
139.07541	33.7
148.05052	7.4
149.05875	7.8
151.07533	97.1
152.04665	12.0
152.08315	43.8
153.09039	23.1
157.23082	7.8
159.54941	7.7
163.07587	13.0
169.01254	10.7
201.12791	38.9
203.10721	16.5
204.11497	51.7
219.13882	89.4
231.63226	8.8
263.12857	100.0
284.21194	9.0
358.47223	7.4
381.10556	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	425.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40812	0.9
59.01237	3.0
71.01250	1.8
71.58610	1.2
71.58996	0.9
73.02830	2.8
82.07764	0.9
84.41602	0.8
99.92480	1.6
116.92783	1.1
121.10111	2.1
131.03413	2.6
154.04333	0.9
171.10167	4.0
195.13818	6.9
205.12331	1.2
211.13228	1.0
223.13367	7.7
256.13235	2.2
275.20190	11.5
293.21222	100.0
294.21585	9.8
425.25360	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	425.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05367	1.8
71.04894	13.1
72.08086	1.4
74.91614	1.3
75.18186	1.3
78.95755	1.5
98.20663	2.3
110.03330	1.4
114.09145	2.4
123.25165	1.5
130.08643	16.0
152.99493	3.4
153.41388	1.6
160.42873	1.2
170.61411	1.6
186.14963	8.2
212.12923	1.8
230.13934	100.0
230.48282	2.5
231.14265	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	425.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	2.1
57.03323	5.5
59.01254	10.8
64.65075	0.6
65.25150	0.6
68.99676	0.8
69.95547	0.8
69.95959	2.7
71.01254	20.5
72.99186	4.9
73.02824	2.4
75.00751	27.5
80.84110	0.6
83.01244	2.8
85.02827	29.3
85.99963	0.5
86.03192	0.5
87.00761	8.5
89.02328	2.0
95.01262	3.4
97.02835	0.8
98.19978	0.8
99.00764	9.4
101.02328	5.8
110.82153	0.5
111.00764	1.1
113.02335	28.1
115.00246	2.8
117.01772	1.0
124.64522	0.5
129.01805	1.0
141.78706	0.5
149.00813	1.0
157.01320	1.4
161.04469	1.3
175.02489	2.8
175.03728	0.6
176.04758	0.6
177.09154	0.7
187.07680	0.8
196.09496	0.5
210.42329	0.6
249.11256	3.8
249.13347	3.4
275.09186	0.6
278.78900	0.5
293.10510	0.6
363.16687	0.7
365.14313	0.6
407.15341	0.6
425.16653	100.0
426.16974	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	425.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12322	1.2
59.01252	30.6
71.01250	5.9
71.60241	1.9
72.99188	13.8
75.00755	3.0
75.59589	1.0
84.99225	1.8
85.02830	4.0
87.00755	34.0
89.02332	3.7
93.03326	1.7
95.01233	1.8
95.04861	1.4
96.95888	2.1
97.02872	1.3
97.06470	4.4
101.02313	1.9
103.00259	7.4
105.01797	1.2
108.02067	3.3
109.02834	20.5
112.98711	12.2
113.02306	2.0
119.04944	1.9
121.02857	3.3
123.00776	4.3
123.04423	3.0
124.01541	2.5
125.02313	3.6
130.99750	2.1
133.02899	6.3
134.03641	100.0
135.04466	17.2
136.01576	12.9
137.02356	12.2
148.05260	1.3
149.00829	86.6
150.01158	2.0
150.03011	1.6
151.03923	13.6
151.76070	1.2
159.04451	11.7
161.02370	3.6
162.03117	3.5
172.05203	1.5
173.05971	4.1
174.06781	5.3
175.03923	2.5
175.07545	2.9
176.04654	1.5
177.01863	6.2
177.05406	3.8
177.09093	4.1
178.02640	12.4
179.03395	3.3
180.04182	1.1
185.09680	1.2
187.03932	4.0
187.07603	12.1
188.08319	1.6
189.01810	1.7
190.02675	3.0
191.07103	2.6
195.02950	8.0
201.05423	1.7
201.09171	2.1
202.06398	9.2
203.03441	2.0
203.06850	2.3
203.10703	23.0
204.11041	1.8
205.01334	3.8
205.08626	4.5
213.09207	7.3
215.07071	2.5
216.07838	3.7
219.06592	1.8
221.08157	2.1
231.10229	53.9
232.10471	3.7
233.04410	2.4
235.06091	3.4
247.09706	1.7
249.11322	18.9
262.04800	3.9
263.05557	7.8
263.09470	1.7
275.09302	21.0
276.09586	1.8
293.10336	76.0
294.10629	5.5
425.10727	14.4
425.19467	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	425.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01199	0.6
57.03334	0.8
59.01254	100.0
60.01580	1.2
71.01273	1.3
71.60361	0.8
73.02818	0.8
76.50237	0.7
78.61904	0.6
87.81573	0.6
93.03333	0.6
98.20275	0.6
101.02349	0.9
102.47976	0.8
102.88642	0.6
113.02422	0.7
116.02560	0.7
126.57320	0.7
133.02852	1.2
134.03665	2.8
135.04439	1.5
137.02432	0.7
154.61986	0.7
161.05994	18.5
162.06377	0.7
164.40543	0.7
177.01947	0.7
178.02727	1.3
179.03465	0.8
192.24760	0.7
195.06665	0.8
293.10416	1.0
353.29126	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38446	0.1
55.80569	0.2
59.01250	1.4
65.03821	0.5
66.32268	0.2
69.63171	1.2
71.01266	0.4
73.02830	0.5
91.81669	0.2
93.03338	60.8
94.03675	1.6
101.02331	0.4
102.00912	0.2
113.02304	0.2
121.02859	0.2
134.03601	0.5
135.04425	0.2
137.02347	100.0
138.02690	3.5
425.14526	0.7
425.23331	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75700	0.9
59.01252	100.0
60.01597	1.8
60.74433	1.1
69.47311	4.8
69.47741	4.4
70.27349	1.2
70.34502	1.0
71.01257	23.3
72.99188	7.9
73.02811	2.0
85.02824	4.8
87.00752	6.2
89.02306	1.7
97.02839	1.4
98.19825	2.0
101.02325	3.2
103.00278	1.3
107.04874	1.4
111.00754	2.4
113.02351	2.8
120.22298	1.1
125.02331	9.5
129.05478	1.6
134.03667	11.2
135.04387	3.8
136.01659	5.6
137.02356	2.1
145.02835	1.6
147.04393	1.8
147.06494	6.6
148.05177	1.3
149.00812	9.3
149.01964	1.6
149.02318	1.4
151.03893	1.1
153.05458	1.7
159.04436	3.0
161.02370	1.5
161.04437	1.4
162.03157	1.3
168.00505	1.2
169.01346	13.1
172.05299	2.0
173.02354	2.3
173.05943	2.1
173.08188	1.6
174.06752	1.5
175.07542	1.6
176.00980	1.8
177.01767	1.6
177.09140	1.2
178.02586	1.4
187.07582	8.2
190.02609	8.3
191.01717	2.3
191.03424	27.4
192.03873	1.2
201.05695	1.0
201.07588	3.6
201.09180	4.4
202.06241	2.8
203.10742	3.9
213.09155	1.8
218.02234	2.7
219.02933	14.3
219.10226	5.0
231.10260	17.0
245.10248	1.8
249.11272	4.9
260.00189	1.1
262.01157	1.4
263.01959	45.2
263.11276	5.4
264.02255	3.6
275.09219	17.5
276.09460	2.6
293.10306	20.0
294.10712	1.5
297.83246	1.1
305.12372	4.9
381.08206	3.5
425.07108	19.7
425.15686	1.3
426.07104	2.0
430.42786	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	6.6
57.03329	4.9
58.00461	1.7
59.01253	41.9
69.03307	1.8
69.74181	4.8
71.01257	63.0
72.01593	0.8
72.99175	2.4
73.02823	31.4
75.00735	1.9
81.03345	0.9
81.92656	0.7
83.01260	12.8
85.02824	32.7
85.99976	3.5
86.03139	0.6
87.00764	3.7
89.02320	10.8
95.01279	4.4
97.02808	2.8
98.20264	2.3
99.00760	13.4
101.02328	61.0
102.02641	1.5
111.00736	2.7
113.02334	21.7
115.03904	2.4
125.02324	3.1
129.01857	1.4
131.03416	4.5
132.46681	0.9
143.03398	3.1
149.04443	2.6
159.02925	5.6
161.04482	27.3
191.05524	1.1
199.13266	1.0
205.03445	1.1
233.06657	3.5
259.46893	0.7
286.10309	0.9
291.18140	100.0
292.18445	6.4
293.08810	1.4
322.60629	0.8
423.22369	76.7
424.22714	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	12.8
60.68054	1.6
66.13808	1.7
69.03309	1.8
69.31828	20.9
84.02039	17.2
95.04906	2.1
96.95889	1.9
97.02841	17.3
97.06465	7.0
99.04395	4.6
109.55655	1.7
114.39764	1.9
171.10182	39.3
172.10533	2.4
193.08400	52.5
193.12206	6.8
211.13187	2.4
215.10397	3.4
225.14896	10.0
233.11481	4.0
243.16002	4.7
264.09805	13.9
279.11105	3.7
294.10617	2.2
309.13397	2.1
341.23312	100.0
342.23694	11.6
363.20782	17.3
407.20529	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	423.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95496	0.5
78.77438	0.5
78.95778	17.3
90.15409	0.4
93.14539	0.5
104.97370	0.7
109.39012	0.4
110.97643	0.7
110.98416	11.7
111.34804	0.5
113.62505	0.4
116.25603	0.4
141.17404	0.4
160.14125	0.5
167.01071	10.7
173.73373	0.4
180.02614	0.4
185.02138	2.3
255.23271	100.0
256.23624	9.0
332.54218	0.6
370.91119	0.5
423.25116	13.7
424.25415	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02667	0.3
65.10085	0.3
65.13154	0.4
68.13142	0.6
69.88690	1.7
78.95779	16.6
104.97310	0.5
110.98421	9.9
136.99976	0.4
152.99481	3.4
166.99657	0.7
167.01070	11.9
173.99770	0.4
185.02110	2.7
211.41093	0.4
255.23280	100.0
256.23593	8.4
270.66623	0.5
423.25177	13.9
424.25687	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	424.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08197	0.6
52.03346	0.6
52.44305	0.5
53.47046	0.6
54.42923	0.6
59.01258	1.2
69.62119	0.7
74.94016	0.6
78.95775	16.5
140.01120	3.8
152.99484	2.6
176.30095	0.6
188.17001	0.6
196.03731	9.8
214.04837	1.2
225.37271	0.7
227.20119	100.0
228.20438	7.9
240.58170	0.7
251.42572	0.7
256.23669	1.2
266.40308	0.7
424.24652	17.3
424.29938	1.4
425.25076	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	425.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30156	0.3
51.70088	0.3
56.34506	0.3
59.01237	0.6
59.58737	0.3
71.38059	0.7
78.95776	0.6
91.01787	0.6
96.68764	0.3
96.96885	0.6
98.20167	0.5
128.35742	0.3
132.02037	4.0
132.02823	0.3
134.48474	0.3
135.00816	0.9
139.75391	0.3
156.99875	0.7
158.84727	0.5
195.04419	2.7
196.05341	0.4
208.05194	2.1
209.05602	0.4
223.03941	10.6
224.04712	4.1
227.05830	0.3
250.62500	0.3
251.03465	6.7
252.04243	75.5
253.04588	6.5
267.06604	100.0
268.04007	0.5
268.06921	8.1
269.06989	1.1
290.33014	0.3
327.21625	0.4
365.16385	1.4
368.11545	0.6
425.05450	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	425.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53276	1.1
56.59749	1.2
59.01245	6.3
60.94051	1.0
66.07309	1.3
71.01248	3.2
71.57878	2.1
80.40075	1.2
101.02306	1.4
107.04915	3.2
117.03367	1.6
119.04926	2.7
125.02373	2.0
133.02855	5.0
135.04398	4.5
137.02258	2.0
138.33890	1.2
145.02832	3.3
147.04404	3.7
149.02336	1.4
151.03954	1.5
153.01872	1.3
153.05498	1.5
154.78928	1.1
159.04427	1.4
161.02357	13.0
162.03198	1.3
163.03911	5.2
166.02669	1.4
173.02368	4.9
175.03911	3.3
176.01024	2.9
177.01819	2.5
187.04018	2.4
189.01891	12.3
190.02640	19.4
191.03427	44.4
192.03775	1.7
193.01387	2.4
201.01898	1.2
205.01346	2.5
215.03450	3.2
217.01335	8.4
218.02036	4.4
219.02937	71.8
220.03281	3.8
221.00923	3.0
235.02420	2.1
243.02939	3.7
263.01968	25.6
281.04474	1.3
287.02054	1.9
305.03064	7.6
365.05103	2.9
407.07620	5.0
425.07245	100.0
426.07541	9.7
435.03644	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67230	0.8
55.01565	0.6
55.01762	6.7
57.03337	6.0
58.00466	1.3
59.01254	42.5
60.01600	0.8
68.99689	0.8
69.03314	2.0
69.46699	4.9
69.47105	1.8
71.01256	76.0
72.01578	1.5
72.99187	3.5
73.02823	40.0
74.03146	1.3
75.00749	3.2
81.03297	0.9
83.01261	13.9
85.02824	38.0
85.99979	1.6
87.00761	5.6
89.02319	15.7
95.01266	6.2
97.02819	3.3
98.20525	1.4
99.00762	14.8
101.02327	69.5
102.02697	1.1
111.00724	2.2
113.02332	29.2
114.02676	1.1
115.03889	3.1
119.03381	1.5
119.61972	0.8
123.04378	1.0
125.02354	4.6
129.01801	1.6
129.39949	0.7
131.03424	3.5
137.02316	1.5
143.03397	3.9
149.04486	2.4
159.02928	5.3
161.04471	26.8
162.04733	0.9
191.05461	0.7
205.03465	1.0
233.06644	3.9
289.07202	1.5
291.18149	100.0
292.18488	8.0
293.08841	0.7
335.17270	1.1
336.05417	0.9
347.15430	0.8
348.47104	0.8
423.22385	80.1
424.22791	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	423.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25312	0.6
59.01250	100.0
59.46440	0.8
60.01583	2.0
69.26106	0.7
71.01250	8.2
71.57243	0.8
72.99198	0.8
73.02828	1.5
76.91868	0.7
78.75100	0.7
85.02808	1.3
87.00769	1.6
89.02321	13.0
95.01267	0.8
95.18178	0.8
101.02328	4.0
113.02317	3.5
119.03407	5.6
122.46114	0.7
125.02374	1.5
131.46213	0.7
141.57123	0.7
143.03426	1.0
144.33124	0.7
147.08682	0.7
161.04494	1.5
165.05418	1.2
169.01334	1.0
179.05482	3.7
239.07085	0.8
243.03102	1.1
423.07343	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
59.15628	0.4
60.01581	1.3
70.77299	1.4
71.01265	1.5
71.79784	0.4
73.02822	0.7
85.02827	0.5
89.02374	0.8
96.95950	0.6
99.07825	0.5
101.02314	1.3
113.02338	0.7
119.35263	0.4
125.02364	0.8
144.43661	0.5
145.02895	0.7
155.02213	0.5
161.04523	0.6
202.35277	0.5
255.23412	0.5
255.45686	0.5
261.87479	0.5
314.60349	0.5
321.19254	2.4
407.44235	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	6.4
56.02085	0.6
57.03328	5.7
58.00463	2.1
59.01252	42.4
69.03320	1.5
69.37657	6.7
70.58791	0.6
71.01254	62.3
71.90291	0.6
72.99184	2.8
73.02819	35.9
75.00732	1.6
83.01256	15.5
85.02825	33.4
85.99978	2.1
86.03193	0.7
87.00757	4.4
89.02319	12.5
95.01265	4.1
97.02826	3.9
98.19820	1.3
99.00761	15.3
101.02326	69.0
111.00745	1.6
113.02329	25.4
115.03895	2.6
119.03411	0.7
125.02336	4.8
127.11205	1.1
129.01846	2.0
131.03397	3.7
143.03404	2.8
149.04437	1.3
159.02895	4.8
161.04468	21.8
191.05510	1.0
199.13208	0.9
205.03448	0.7
223.09756	0.7
233.06613	3.8
245.19589	0.7
291.18146	100.0
292.18469	7.2
293.08835	1.7
330.95718	0.7
335.17099	1.7
423.22357	79.7
424.22662	8.8
448.70032	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12685	10.5
54.39297	12.8
56.09045	11.9
57.03304	13.7
57.32962	10.7
59.01254	100.0
71.01256	55.7
72.99207	16.7
73.02818	16.9
75.00757	14.6
85.02823	56.0
87.00742	13.1
89.02329	13.5
91.10814	11.2
96.96482	11.7
98.19788	26.6
99.40729	10.1
101.02360	14.8
109.06462	14.4
111.08047	60.1
113.02322	29.4
125.02291	20.9
134.93279	10.7
149.02350	17.1
150.03113	53.1
165.05417	62.7
173.08075	38.6
195.06570	39.9
234.65454	12.2
287.06665	14.3
423.14667	70.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12685	10.5
54.39297	12.8
56.09045	11.9
57.03304	13.7
57.32962	10.7
59.01254	100.0
71.01256	55.7
72.99207	16.7
73.02818	16.9
75.00757	14.6
85.02823	56.0
87.00742	13.1
89.02329	13.5
91.10814	11.2
96.96482	11.7
98.19788	26.6
99.40729	10.1
101.02360	14.8
109.06462	14.4
111.08047	60.1
113.02322	29.4
125.02291	20.9
134.93279	10.7
149.02350	17.1
150.03113	53.1
165.05417	62.7
173.08075	38.6
195.06570	39.9
234.65454	12.2
287.06665	14.3
423.14667	70.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91951	12.3
59.01252	84.7
67.11446	11.9
70.10852	55.5
71.01250	51.5
73.02828	24.7
75.00755	25.9
85.02824	41.7
87.00733	16.4
87.04372	12.3
89.02318	15.5
96.95947	16.0
99.00742	22.0
101.02376	17.2
113.02336	21.4
149.00818	46.8
151.35921	11.8
161.02399	14.9
261.04153	11.6
273.60513	12.5
288.73117	14.1
339.19208	14.1
423.18115	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.4
58.02859	0.6
59.01255	1.9
61.98693	0.5
67.79529	0.3
69.23758	0.3
69.32854	3.6
70.02850	2.9
71.01260	1.9
71.04889	3.8
72.05234	0.3
75.00760	0.6
76.49070	0.3
80.72616	0.3
83.01272	0.4
85.02831	0.7
86.31268	0.3
87.00744	0.5
87.05510	1.4
99.00780	0.4
99.04399	1.2
109.06419	0.3
113.02370	0.5
113.03445	4.9
116.07066	0.7
117.03346	22.2
118.03669	0.8
119.04918	8.5
125.02324	0.8
130.03239	2.0
135.04379	0.4
137.02390	0.7
139.16394	0.4
145.02853	100.0
146.03194	4.6
146.08131	20.4
147.04326	0.3
147.05847	1.0
147.08443	0.7
152.01022	0.7
162.05495	0.3
163.03929	3.4
165.01746	0.4
173.03850	1.2
174.12704	0.5
179.03384	0.5
217.11810	3.3
220.55479	0.4
222.05763	1.7
227.08270	0.4
257.12955	1.0
261.12317	0.6
275.97577	0.3
277.12265	21.0
278.12573	1.1
301.11978	0.4
423.08347	0.3
423.10693	0.3
423.15857	1.7
424.16342	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2079
Annotation	(3R)-1-Octen-3-yl-beta-primeveroside
Peak:m/z	Relative Intensity
51.55490	0.6
55.01758	6.1
57.03325	6.3
58.00471	3.5
59.01251	68.9
60.01568	1.1
61.98716	1.8
63.73979	0.6
65.40926	0.6
69.03334	3.2
69.41821	3.8
69.42249	2.2
71.01254	100.0
72.01607	1.4
72.99183	6.2
73.02820	22.9
74.02357	1.1
75.00744	3.7
78.20589	0.6
78.95766	0.9
81.03334	1.5
83.01251	13.3
85.02280	1.2
85.02374	0.6
85.02824	37.3
87.00748	5.8
89.02316	52.2
90.02679	0.6
95.01268	5.1
97.02821	4.7
99.00760	12.5
99.04379	0.8
101.02322	62.0
102.02632	1.1
103.04594	0.7
108.96645	0.6
109.02848	1.4
110.82609	0.6
111.00763	7.4
113.02330	28.5
114.02676	1.2
115.03877	1.9
119.03387	2.6
119.04929	1.0
121.02905	1.0
122.03603	0.8
123.04433	0.8
125.02338	10.6
127.11173	1.4
129.01797	2.2
131.03389	27.1
132.03731	0.9
133.02907	0.7
137.02328	1.4
141.01901	0.8
143.03401	4.2
149.04456	12.5
159.02896	5.0
161.04457	26.8
167.10690	0.7
177.01779	0.7
191.05531	3.7
205.03525	1.6
211.79578	0.8
215.05531	1.0
219.38657	0.6
233.06621	6.3
259.09860	1.1
289.07214	1.2
289.16568	33.8
290.16992	3.2
290.53088	0.6
293.08765	2.3
342.57062	0.7
385.13123	1.1
420.68283	1.2
421.20743	35.0
422.21252	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	421.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	0.7
69.22781	0.7
78.95777	33.9
80.96391	2.5
98.15478	0.7
98.20549	1.8
110.98421	57.0
152.99477	5.6
167.01064	1.8
185.02141	100.0
186.02469	2.3
229.30830	0.8
253.21727	25.4
254.22090	2.2
381.63431	0.7
418.59171	0.7
421.23441	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19944	0.4
55.00159	0.4
55.89906	0.4
65.85706	0.4
78.95777	29.3
80.96358	0.7
98.12746	0.4
110.98417	51.7
139.05716	0.4
152.99477	4.3
165.68718	0.4
167.01091	1.1
171.00513	0.7
185.02135	100.0
186.02495	2.0
229.48729	0.6
253.21706	21.9
254.21992	2.5
421.23752	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	5.2
58.00454	4.3
59.01251	74.2
61.82614	2.7
67.23037	2.4
71.01251	58.0
71.21087	3.3
71.21439	4.1
72.99187	4.2
73.02814	6.7
83.01248	4.0
85.02824	16.9
85.67168	2.3
87.00737	2.8
89.02319	45.1
93.01807	2.4
95.01279	5.7
95.04928	2.9
101.02322	36.8
113.02324	21.3
119.03392	19.7
123.00769	4.4
123.04377	2.8
124.05176	3.0
125.02320	4.1
135.71657	2.7
139.07558	10.5
143.03363	3.2
147.29662	2.7
150.03131	4.2
151.07513	5.1
161.04503	16.1
161.09644	7.0
163.11186	6.2
165.05429	4.9
169.01318	2.9
177.09114	3.3
179.05519	6.3
179.10696	14.7
185.07959	2.7
187.11307	3.9
195.06403	3.0
197.11726	4.3
205.12262	9.0
223.13290	13.6
227.60486	3.3
241.14377	9.9
259.15509	72.7
260.15900	4.5
403.19662	11.7
421.20801	100.0
421.26508	4.7
422.08234	4.9
422.21051	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	421.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	3.2
55.09641	1.0
57.03312	1.1
58.00459	2.6
59.01250	86.2
69.03325	1.6
71.01254	74.8
72.01600	1.5
72.99172	5.3
73.02821	17.4
75.00739	2.9
83.01262	4.5
84.52599	0.9
85.02821	12.5
87.00745	4.3
89.02316	100.0
90.02624	1.1
95.01256	3.5
97.02840	1.3
99.00756	21.5
101.02323	50.0
109.02819	1.2
113.02330	24.0
115.03877	1.9
119.03394	27.6
123.04324	1.2
125.02350	5.8
131.03389	12.8
143.03415	5.7
143.04347	1.3
143.48299	1.0
149.03282	2.0
149.04454	31.1
161.04488	6.8
174.42441	1.2
179.05556	9.6
182.48811	1.0
191.05519	9.4
231.70380	1.1
233.06564	2.8
251.07693	1.2
289.16565	4.0
421.20776	38.2
422.21164	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	421.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	8.5
57.03064	1.1
57.03321	7.0
58.00462	2.8
59.01252	45.3
69.03317	2.7
71.01254	100.0
71.04894	1.3
71.21571	2.5
72.01590	2.1
72.99200	3.0
73.02819	45.5
75.00745	8.4
77.21859	1.2
81.03346	1.4
83.01256	16.6
83.82635	1.1
85.02822	53.8
87.00750	5.8
89.02322	23.9
90.06682	1.1
91.47813	1.1
95.01273	8.3
97.02833	5.6
99.00758	23.4
101.02323	76.6
109.02858	1.1
111.00774	2.0
113.02327	40.1
115.03893	3.4
117.01772	1.4
117.85342	1.1
125.02332	10.2
127.11146	1.5
129.01842	1.5
131.03400	5.3
143.03384	4.7
149.04506	1.9
159.02872	9.4
160.42683	1.0
161.04471	38.4
162.04836	1.4
191.05577	2.5
205.03448	1.7
233.06549	6.1
289.16571	77.8
290.17090	5.4
293.08710	2.5
295.81848	1.3
346.06595	1.4
421.20770	81.9
422.21130	10.7
446.79056	1.6
448.83948	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1868
Annotation	2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)-methyl]-1,4-butanediol
Peak:m/z	Relative Intensity
59.01248	2.7
69.79005	2.6
70.56998	0.5
71.01254	1.3
71.52971	0.5
79.81561	0.5
81.03301	0.8
85.02827	0.6
97.02829	0.7
98.19794	1.0
101.02280	0.7
105.35350	0.6
107.04922	0.8
108.02043	1.0
109.02826	7.1
111.04391	1.0
119.04897	2.4
123.00784	0.7
123.04444	1.0
124.01559	8.3
125.02333	15.0
125.05954	0.6
133.06488	0.8
135.04373	1.3
136.01556	1.3
137.02344	38.5
138.03143	12.3
139.03914	17.2
140.04248	0.8
145.02800	0.9
147.04399	1.4
150.03102	1.2
151.03923	13.0
152.04716	6.3
153.01822	0.6
153.05443	2.5
161.02299	1.2
162.03152	4.9
163.03922	6.3
164.04683	2.9
165.05508	3.8
166.02615	1.2
166.06300	1.3
167.07074	1.2
170.02106	1.8
175.03912	4.1
176.04723	3.3
177.05499	12.1
179.03409	2.1
179.06953	0.7
180.04175	11.9
181.04980	15.8
182.05377	0.8
184.03714	2.8
188.04703	1.2
189.05495	2.3
190.06310	1.9
191.07027	3.0
193.04982	0.8
194.05791	9.0
195.06555	32.2
196.06924	2.0
203.65187	0.7
205.04942	1.7
205.08653	1.2
206.05804	2.9
207.06581	7.5
208.07256	1.1
209.08124	7.6
220.07193	0.7
221.08246	1.5
233.08293	0.7
236.06740	0.7
237.07622	2.1
238.08455	0.8
239.09181	0.7
253.10863	1.5
262.49921	0.6
331.11743	1.4
343.11957	1.8
361.12900	12.8
362.09091	0.6
362.13354	1.4
373.12842	1.7
375.14429	3.3
388.15082	0.6
391.13959	17.4
392.14111	1.5
395.83902	0.8
396.37094	0.6
405.15665	1.0
406.16299	37.6
407.16687	6.0
421.18683	100.0
422.18979	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	421.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34437	0.7
50.86275	0.6
56.15708	0.6
57.03324	4.2
58.00106	0.7
58.00441	0.9
59.01249	19.7
60.01577	0.7
67.01782	0.8
68.99696	1.8
69.03322	1.2
71.01252	22.9
72.01619	0.8
72.99196	7.0
73.02834	2.1
75.00747	15.4
81.03331	1.3
83.01260	1.0
83.04881	1.3
85.02821	20.2
86.03164	0.9
87.00751	9.0
89.02335	7.0
91.03895	1.4
92.73082	0.7
93.03355	2.5
95.01259	4.1
95.07255	0.7
99.00759	12.1
101.02335	2.1
103.00269	1.7
109.02884	0.9
109.06472	14.5
109.07172	1.1
111.00755	1.3
112.01558	0.8
113.02331	24.2
115.00255	2.0
115.91972	2.1
116.92756	5.8
117.01816	2.5
119.03345	1.0
119.07848	0.6
127.07542	100.0
128.07870	3.9
129.01822	2.2
131.03362	1.1
135.04393	2.4
137.02332	1.4
149.02388	1.2
150.03133	2.4
153.05469	4.2
156.92070	0.7
157.01328	1.9
161.02376	1.4
165.05536	1.6
171.06529	6.4
175.02370	3.1
179.03423	1.4
189.03951	0.7
195.06563	1.0
205.07108	2.0
211.85500	0.7
230.00291	0.8
230.35812	0.8
231.05190	1.7
245.10281	4.9
249.06102	16.6
259.06052	1.9
259.15408	1.0
267.07205	11.9
268.07626	0.7
289.16537	1.0
359.13409	10.0
377.14383	1.7
403.12482	3.8
408.51855	0.8
421.13461	97.2
422.13843	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	421.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.6
59.01253	21.6
67.01762	0.5
68.99673	0.7
69.03307	0.6
69.39898	4.6
69.40308	1.0
69.40449	0.4
71.01249	2.4
72.33319	0.5
81.03336	4.0
83.01273	1.1
83.35275	0.6
85.02821	2.5
87.00710	0.7
93.03345	0.5
95.01266	3.4
97.02830	0.7
98.19833	0.9
101.02324	1.6
105.03345	1.2
106.65012	0.5
107.01270	2.4
108.02066	0.7
108.79772	0.5
109.02847	1.2
111.04372	0.8
113.02331	1.0
121.02841	1.4
122.03588	0.7
123.00772	3.0
123.04416	1.0
124.01569	0.7
125.02337	10.3
129.01875	0.8
133.02826	0.9
135.04431	0.6
136.01657	0.6
137.02341	2.1
137.09607	1.0
139.07568	1.7
149.02315	1.6
149.99498	64.7
151.00290	11.0
165.01828	1.7
165.30852	0.5
169.01334	1.9
173.02396	0.5
177.01904	0.6
179.10696	12.7
180.11053	0.8
188.63562	0.5
193.01360	2.2
205.03285	0.7
205.08702	0.6
223.09718	62.8
224.10045	4.6
265.10825	0.6
273.50497	0.6
308.65308	0.6
313.05661	100.0
314.05978	8.5
331.06717	1.6
361.29495	4.6
385.15076	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	421.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.0
57.03302	1.2
57.13914	0.4
59.01255	15.0
61.98707	9.6
67.01757	1.2
68.99702	0.9
69.03339	0.9
69.33672	3.7
69.34087	1.3
71.01254	9.6
72.77511	0.5
72.99173	1.3
73.02826	2.9
73.48756	0.5
75.00755	1.7
79.01775	1.2
81.03338	0.6
81.20204	0.5
83.01280	3.0
85.02827	6.0
87.00770	1.7
89.02316	1.5
93.03354	1.6
95.01273	4.9
95.36005	0.5
96.84240	0.5
97.02818	1.5
99.00769	1.1
101.02334	4.9
107.01283	6.6
109.02837	0.8
111.00742	3.3
113.02314	4.4
117.03243	0.5
119.03413	0.6
121.02850	1.1
123.00771	22.6
123.04427	0.6
124.01532	1.6
125.02343	21.9
127.00282	1.4
135.04449	0.7
136.73303	0.6
136.98718	1.5
137.02371	1.5
139.00273	6.6
139.03828	0.7
139.72147	0.6
140.01059	4.9
141.01820	3.0
145.02907	0.8
147.00783	1.7
149.02391	1.7
149.99500	7.0
151.00281	17.9
153.01834	1.0
154.33733	0.5
163.03940	1.2
165.01848	1.0
168.00586	4.8
169.01340	24.9
170.01700	1.1
171.97885	0.6
175.00320	1.3
178.99687	0.6
179.06825	0.6
185.11731	1.7
190.02623	2.3
193.01414	1.7
205.04947	2.5
258.05319	1.0
259.05991	0.7
271.02588	1.4
299.01901	1.3
300.02896	3.3
301.03555	8.2
313.05707	4.2
319.04535	2.0
326.55786	2.3
334.06961	13.0
356.53781	0.6
414.88910	0.6
421.11417	100.0
421.20767	6.6
422.11789	13.3
422.20856	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	4.0
59.73078	0.5
60.54718	0.6
61.98705	100.0
71.01258	4.6
73.02821	1.6
81.03341	1.1
83.01260	0.9
85.02836	1.7
85.15424	0.6
87.00771	0.6
89.02303	0.8
91.67140	0.6
95.01297	0.6
101.02326	2.2
111.04395	0.5
113.02383	1.1
125.02345	2.5
129.47502	0.5
131.03516	0.6
140.98045	0.5
151.07555	11.4
161.04482	1.4
165.05627	0.6
195.06577	34.4
196.06949	1.7
209.08211	0.7
219.06598	10.3
237.07661	3.9
289.16647	1.9
357.11877	19.4
358.12314	1.4
421.20901	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	420.2755
Annotation	6-Deacetylperegrine
Peak:m/z	Relative Intensity
51.00568	0.3
71.23176	0.6
77.03835	0.3
88.98682	1.5
91.01752	0.3
93.03337	0.4
95.28689	0.3
97.02819	1.4
109.02837	2.8
113.58334	0.3
121.02843	100.0
122.03187	3.3
186.58206	0.3
217.03825	0.3
255.02892	0.7
311.05579	0.5
410.89963	0.4
420.27536	45.8
421.09436	1.7
421.27917	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	421.078
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92009	2.5
59.01255	76.3
69.76021	16.0
71.01255	29.1
72.99199	4.0
73.02819	35.7
75.00754	11.8
83.01276	8.1
83.71471	3.3
85.02840	11.4
87.00752	7.3
89.02305	12.9
93.03339	30.5
95.01269	3.0
99.00766	3.9
101.02326	33.2
107.04912	5.0
109.02840	8.4
110.57929	2.9
111.04411	4.6
113.02328	9.6
119.03445	3.0
121.02863	6.0
123.04436	3.9
125.02303	3.5
131.03452	4.2
133.02863	21.1
134.03647	8.6
135.04422	94.2
136.04750	4.4
137.02351	22.0
149.00793	5.7
149.04445	3.0
150.03108	12.6
152.01028	3.9
155.03409	5.7
159.04460	5.9
161.02353	100.0
161.04410	5.0
162.02724	3.5
165.05516	15.0
167.03439	11.0
174.06781	3.5
179.03429	43.3
195.06604	6.5
199.13312	21.6
203.77950	2.4
209.05992	6.4
211.07649	27.4
225.04051	3.3
229.08664	8.3
245.09285	4.5
255.06610	13.1
259.09760	4.1
271.01361	2.5
273.07697	40.5
274.08121	4.8
317.06659	26.5
377.08963	5.6
379.19977	13.8
421.16415	6.8
421.21130	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73428	0.6
59.01254	100.0
65.04500	0.7
67.41083	0.7
71.01257	8.6
72.99192	0.7
73.02823	2.4
83.01277	1.2
83.04959	0.6
85.02840	3.8
85.91257	0.6
87.00751	1.1
89.02308	4.8
95.01307	0.8
97.06480	1.2
99.00741	1.0
99.04366	0.7
101.02335	5.1
106.91523	0.8
109.02826	0.7
113.02332	3.4
119.03425	1.8
125.02377	1.9
127.03909	1.9
129.01831	0.6
129.22458	0.7
130.15120	0.7
137.02376	1.2
153.12761	18.7
161.04491	2.3
165.86389	0.7
167.52568	0.7
177.01970	0.7
179.05608	0.9
179.10722	5.8
190.37541	0.8
197.11781	32.3
198.12146	1.4
233.41495	0.8
359.20798	0.9
359.28192	0.8
419.22638	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14421	2.0
56.54179	2.3
57.03317	5.0
59.01251	26.6
59.46159	2.4
71.01254	37.0
71.46429	2.7
72.99197	12.0
73.02837	4.5
75.00761	25.4
83.01273	4.2
85.02824	22.0
87.00758	18.1
87.04401	2.9
88.98702	2.2
89.02345	15.9
95.01221	3.4
99.00790	5.4
99.04422	7.4
101.02354	9.4
103.00270	4.2
105.01830	33.3
109.02840	2.4
109.29398	2.2
113.02321	12.8
113.05991	11.4
119.03378	3.7
123.04431	4.2
129.01830	5.3
133.10156	5.0
135.02916	6.3
135.04407	3.9
139.07591	8.7
139.57338	2.0
141.05562	3.4
153.09128	4.6
161.04495	5.1
167.10733	2.4
169.08914	2.5
175.02457	7.8
177.09142	5.4
222.51332	2.0
239.09219	10.5
358.10727	2.8
359.07599	5.3
359.11639	4.1
373.13193	6.3
391.59427	2.5
404.14871	8.2
419.19406	100.0
420.19769	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22353	1.6
59.01254	9.9
69.75186	9.0
71.01276	3.1
71.03420	1.4
75.00758	1.3
85.02794	1.3
98.20527	1.5
101.02335	1.9
108.02042	2.7
109.02829	5.2
113.02361	1.8
116.99380	1.4
121.02824	9.9
125.02348	1.4
135.04411	14.6
137.02373	10.8
145.02826	6.1
147.04437	7.4
151.03900	6.7
152.01045	1.6
152.04762	2.1
163.03909	8.0
165.01880	3.4
173.02307	2.5
174.03186	6.3
175.03925	26.7
176.04756	7.7
177.05429	2.9
179.03404	4.4
180.04233	14.4
185.88788	1.5
188.04692	5.7
189.05505	9.1
190.06271	25.2
191.07065	22.0
192.04178	1.9
193.04993	13.1
194.05774	8.7
195.06145	1.4
203.07129	3.4
205.08638	22.3
207.06578	10.5
208.07381	10.0
257.08194	15.6
374.13672	2.1
389.16077	100.0
390.16342	12.3
419.13950	1.9
419.22440	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	9.7
71.01265	3.5
71.60283	1.4
72.99193	0.9
73.02812	1.2
75.00757	1.0
77.26426	0.7
83.01265	1.0
84.89699	0.8
85.02811	1.8
89.02335	1.7
93.03342	0.7
95.01237	0.8
104.47710	0.7
111.00785	1.4
112.26081	0.7
113.02357	2.2
117.32130	0.7
121.02821	1.4
123.00784	1.9
124.01575	5.7
125.02322	2.1
129.01781	0.8
135.04420	1.7
137.02361	4.9
138.03107	1.8
139.03922	7.2
145.02827	0.8
151.00356	0.8
151.03928	1.3
152.04720	1.4
153.05487	1.4
163.03888	1.0
173.02354	1.5
173.05878	0.7
174.03151	3.1
175.03926	3.4
177.05461	1.3
187.03853	0.8
188.04669	0.9
189.05443	2.5
191.07111	1.4
205.05028	1.8
206.05772	3.1
207.06512	2.1
213.53668	1.0
219.06593	0.9
221.08104	4.8
233.08119	0.9
237.07651	0.8
240.08994	1.2
250.08508	1.9
253.04950	1.3
255.06572	1.4
256.03745	1.0
257.08246	1.1
269.04684	1.1
273.07782	0.9
280.03723	2.0
281.04581	5.7
282.05264	2.0
283.06070	2.1
284.06683	0.7
285.07672	2.5
293.04636	0.9
294.05353	1.5
295.05917	1.2
296.06403	1.1
297.04172	1.6
298.04907	3.9
299.05493	2.4
300.06223	1.5
301.07034	4.2
302.07950	0.9
311.05692	4.0
312.06332	5.2
313.03473	1.2
313.07150	17.7
314.07608	1.7
315.08636	2.5
325.07172	1.9
326.08047	4.3
327.08762	16.3
328.05841	3.0
328.09299	2.3
329.06610	10.0
329.10297	4.1
329.14310	0.8
330.07346	1.0
341.10400	1.5
343.08188	13.0
343.12033	1.9
344.08975	21.5
345.09232	1.5
358.10559	45.8
359.11340	78.5
360.11703	5.9
373.12912	70.5
374.13419	7.5
389.12405	20.3
389.17258	1.5
390.12784	1.8
402.13248	1.3
404.14764	85.6
405.15057	7.9
419.17126	100.0
420.17416	12.7
430.74979	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47482	2.2
54.00982	1.9
59.01254	45.7
68.59215	1.9
69.89642	4.4
69.90070	8.2
71.01257	28.4
72.99155	3.4
74.51498	1.9
83.01240	2.2
83.04903	4.5
85.02832	5.3
85.65966	1.9
89.02321	28.5
95.01256	3.3
97.02885	2.2
99.00735	2.1
99.04389	3.9
101.02320	18.2
107.08551	8.0
107.65340	1.9
113.02309	9.0
117.69067	1.9
119.03396	10.7
128.03413	3.6
130.55110	2.1
131.08521	2.5
133.10124	48.8
136.90425	1.9
143.03438	3.4
151.11174	5.6
152.41556	1.8
177.09129	100.0
178.09448	3.6
179.05554	2.9
195.10179	23.5
221.08131	37.4
239.09183	20.0
321.09488	2.8
373.12949	4.1
401.14523	20.0
402.14899	2.8
404.14035	2.5
419.15686	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	419.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74536	2.3
57.03324	16.8
59.01252	67.5
62.67710	2.5
69.25454	27.6
71.01247	13.9
71.25970	2.2
81.03318	4.4
83.01260	17.4
85.02819	4.7
89.02304	9.3
97.02840	4.6
101.02337	7.5
109.02840	13.3
111.00771	4.8
113.02367	3.7
113.83501	2.8
117.03224	2.9
119.03420	4.1
121.02868	4.6
123.04415	5.0
125.02339	77.4
137.02345	100.0
145.02859	19.5
146.03593	4.4
147.04391	4.9
149.02364	15.6
150.03107	17.1
153.01677	2.4
157.06505	3.6
159.04449	20.1
161.02370	7.5
161.05968	5.5
164.01100	6.1
165.01883	8.3
167.03419	4.6
174.03195	2.9
183.04431	6.0
183.08089	6.2
185.06009	10.6
187.03954	12.3
201.05562	6.4
201.09216	3.3
203.07138	5.4
225.09270	2.9
227.07047	8.9
230.02130	3.6
239.07112	7.8
241.05046	9.6
251.07086	6.2
253.04988	16.4
253.08759	4.9
269.08170	27.5
270.05005	3.1
271.06131	33.3
272.06284	2.9
281.08075	5.4
291.10233	3.4
315.10104	6.8
317.07925	3.0
333.11307	6.3
357.11533	5.3
375.12344	9.9
388.93274	2.8
401.10287	13.5
419.11386	19.8
443.37357	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	419.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	59.3
60.01600	0.8
70.86544	0.7
71.01254	1.2
71.57638	0.9
80.33398	0.6
104.62377	0.6
125.02399	0.8
159.04437	2.7
173.02336	1.0
179.03401	0.7
187.03893	7.0
188.04709	1.1
197.02371	1.3
199.62630	0.8
201.05476	1.8
202.06316	0.8
203.03424	1.2
205.05008	19.5
212.04716	0.8
213.05533	1.8
215.03448	5.8
216.03918	1.1
217.05165	1.0
230.05592	0.9
231.02945	13.1
232.03566	2.7
245.04578	1.7
246.05305	39.2
247.05646	1.9
248.03183	0.8
257.04495	0.8
274.04883	7.2
278.04303	2.2
283.06000	0.8
287.09274	18.8
288.09540	2.1
297.07623	2.4
299.09268	1.6
315.08759	100.0
316.09100	8.8
317.06573	1.0
359.07706	3.2
377.08737	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	418.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46958	0.8
59.01251	15.2
59.38807	0.9
60.01578	1.5
66.03341	0.9
69.50553	3.2
69.50974	4.1
71.00883	1.4
71.01256	13.3
72.01607	1.5
72.99176	2.6
73.02815	1.5
74.02347	1.1
75.00735	1.6
82.02856	5.3
83.01264	0.9
84.04414	1.0
85.02850	5.6
85.03947	32.9
86.02326	1.2
87.00731	2.4
87.05511	10.4
88.03914	5.8
89.02323	5.0
93.03327	0.9
98.19790	1.3
99.00774	1.6
101.02303	4.8
102.00082	6.5
108.46818	0.9
109.02803	1.1
109.03948	1.8
111.00751	1.2
111.01902	1.2
113.02350	3.3
113.03448	1.5
114.02633	0.9
119.02715	3.8
119.03461	1.8
123.00758	0.9
125.02337	1.6
127.05013	8.0
128.03427	78.9
129.01859	1.0
129.03777	1.5
135.04469	1.6
135.05547	4.3
138.03012	1.0
145.06071	3.7
149.04510	1.2
152.08238	5.4
153.06557	3.2
157.06096	43.0
158.06487	1.3
159.07625	2.3
161.04416	1.8
166.06125	5.2
170.09276	1.0
172.08762	1.0
174.02229	14.6
175.02548	1.0
178.06100	2.8
179.04495	7.2
182.08929	0.9
184.04880	1.7
184.07182	3.0
185.05602	1.5
191.04877	4.1
196.07227	10.1
197.05629	1.8
197.30957	1.0
198.06650	2.1
213.05469	1.7
214.08191	1.2
223.04938	0.9
224.10318	2.0
229.08707	0.9
238.11510	1.0
241.07297	15.3
242.07820	4.2
243.08780	1.4
248.07173	2.0
249.05551	1.2
256.09558	1.1
257.10370	2.3
268.09375	5.1
285.09937	1.7
286.10449	21.7
286.13544	0.9
287.10779	1.4
302.08102	6.3
320.09204	100.0
321.09299	6.0
358.10486	1.5
359.11502	1.3
373.12811	2.0
389.12521	1.2
401.14548	1.6
404.14746	1.5
418.14188	2.6
419.15408	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	417.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76021	2.1
55.01760	5.9
57.03313	5.8
57.38100	1.9
58.00447	2.2
59.01251	78.5
60.01577	3.1
69.46321	1.8
69.50410	1.6
69.50755	16.0
71.01252	100.0
72.99188	5.0
73.02818	20.8
73.19451	1.8
75.00748	5.8
79.95629	1.7
83.01248	11.1
85.02821	37.4
87.00760	3.3
89.02317	46.4
95.01259	8.2
97.02803	2.5
99.00770	8.1
101.02320	60.8
102.02653	2.0
107.08539	3.2
113.02321	34.8
119.03373	13.9
125.02341	11.4
131.03439	3.1
143.03415	6.8
151.00226	2.3
151.03874	2.4
159.02896	8.6
161.04454	37.0
162.04924	1.9
168.00517	3.4
169.01324	5.8
175.14827	13.8
177.48238	2.0
179.05537	5.0
181.04985	3.6
193.01414	4.5
195.08156	2.7
211.50780	2.0
219.36572	1.8
237.14970	5.9
238.55652	2.0
255.19623	2.5
289.11301	2.1
295.12961	1.9
343.20984	2.0
417.07910	2.4
417.25046	29.2
418.25528	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	417.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	4.7
57.03334	4.4
58.00468	3.5
59.01252	100.0
65.60574	0.9
67.01760	1.1
69.03312	1.6
69.61276	6.5
71.01254	99.8
72.01611	1.4
72.99181	6.5
73.02825	20.4
75.00756	2.5
83.01259	10.2
85.02826	34.8
87.00771	5.6
87.04404	2.7
89.02319	60.9
93.03333	1.1
95.01267	7.3
97.02811	1.5
99.00760	7.9
99.04429	1.2
101.02324	70.1
102.02637	1.1
106.04079	0.9
107.04924	2.6
111.00767	1.6
113.02337	40.0
115.03890	0.8
119.03397	26.7
123.04361	1.1
125.02354	2.9
129.01843	2.4
131.03404	3.9
131.63057	0.9
143.03368	6.7
149.04501	1.4
149.06001	0.8
151.00294	1.7
159.02910	6.5
161.04465	28.6
162.04802	1.3
166.02614	1.5
179.05522	7.7
179.06854	1.0
181.05031	3.0
181.12253	6.1
194.90477	0.9
205.03560	1.5
213.09218	10.3
225.11223	1.1
239.78241	0.9
253.05112	1.4
254.05431	1.5
255.05679	2.0
255.19608	6.0
269.17761	1.4
285.13693	0.9
357.26282	1.3
417.25061	29.2
418.25479	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	417.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65549	0.4
52.10546	0.4
54.23171	0.4
57.11652	0.5
59.01253	100.0
60.01587	1.1
60.39375	0.4
62.58786	0.4
62.92006	0.4
63.73051	0.4
64.41899	0.4
66.76730	0.5
66.88615	0.4
71.00804	0.9
71.01177	0.9
72.11140	0.5
86.56926	0.5
89.84526	0.4
100.90559	0.5
105.65105	0.5
111.08064	1.0
121.02869	0.9
125.09678	0.9
165.01871	0.6
173.08095	1.0
187.09756	1.4
219.28006	0.5
234.56139	0.5
294.36078	0.5
417.14862	0.5
417.21185	0.9
444.79745	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2495
Annotation	Dendronobiloside B
Peak:m/z	Relative Intensity
55.01755	6.6
57.03326	4.8
58.00464	3.8
59.01252	76.6
60.01590	1.4
69.03331	1.0
69.34217	4.1
69.34631	1.4
71.01255	100.0
72.01593	1.6
72.99174	6.5
73.02821	22.4
74.03158	0.7
75.00748	2.1
78.95779	0.7
83.01260	13.5
85.02824	38.2
86.03125	0.5
87.00755	5.2
87.04397	2.0
89.02319	52.4
90.02661	0.7
92.68364	0.6
95.01254	7.1
97.02817	1.9
98.19808	0.9
99.00753	9.8
101.02326	80.0
101.06031	0.6
102.02681	1.5
106.04178	0.5
106.57068	0.5
109.02853	0.7
111.00776	1.1
113.02329	42.6
113.44890	0.6
114.02663	1.1
119.03389	22.4
125.02353	3.7
125.45635	0.6
129.01816	2.7
131.03384	3.2
137.02313	1.1
139.00266	0.6
143.02509	0.6
143.03410	7.1
149.04445	1.7
151.00214	0.8
159.02916	6.7
161.04468	34.2
162.04800	0.9
169.12173	0.6
179.05547	6.3
181.05014	1.5
185.15285	0.7
205.03377	1.8
213.09158	4.7
245.58755	0.7
255.19632	3.5
267.07068	0.6
297.51981	0.5
345.23956	0.6
417.25095	13.7
418.25204	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59948	0.5
54.08240	0.5
59.01253	100.0
60.01597	1.6
70.18201	1.0
70.18603	2.2
71.01255	2.6
85.02847	0.6
89.02324	0.9
96.57907	0.5
100.13483	0.5
101.02303	0.7
113.02352	0.8
123.00753	0.7
268.42157	0.5
327.20236	0.6
417.19589	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09739	0.6
59.01251	100.0
60.01589	1.0
63.75568	0.6
70.34338	1.1
70.34757	2.6
106.22327	0.7
148.32582	0.7
159.50815	0.6
162.52457	0.6
364.37408	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50628	1.5
55.01765	3.5
57.03316	2.9
58.20325	1.5
59.01253	100.0
69.64402	3.7
69.64825	6.7
71.01260	62.3
72.99185	3.5
73.02815	16.7
75.00748	3.3
83.01254	8.0
85.02826	32.7
85.03943	5.8
87.00771	3.1
87.05529	1.4
89.02312	8.5
95.01254	4.5
97.02855	1.9
99.00767	8.9
101.02324	33.7
111.08066	3.7
113.02332	27.0
118.01396	2.0
123.00721	2.5
123.04362	1.6
123.87218	1.5
125.02341	5.0
128.03438	12.4
136.86131	1.5
137.02365	3.0
138.02942	1.6
139.06543	2.8
139.07555	33.6
140.07843	1.5
143.03355	2.5
157.06032	7.7
159.02951	6.9
161.04468	52.6
165.01920	1.6
169.01389	2.1
178.06352	1.8
195.10194	4.9
196.07196	1.7
205.03482	3.4
286.10577	2.7
297.72968	1.4
320.09113	13.5
357.15521	12.2
417.13504	6.5
417.18707	1.9
440.42664	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	8.6
57.03323	4.9
58.00494	0.8
59.01249	89.5
60.01565	1.7
60.05777	1.0
62.83305	0.9
67.01736	2.0
69.03313	1.1
70.05910	2.7
70.06310	1.9
71.01251	41.3
72.04420	0.8
72.99155	2.3
73.02816	10.4
75.00745	32.1
83.01250	4.9
83.04873	0.9
85.02345	1.3
85.02821	18.5
87.00735	4.2
87.04382	1.4
89.02316	13.1
90.05035	0.8
95.01234	3.3
97.02791	1.1
99.00742	6.3
99.04378	4.5
100.04080	0.9
101.01719	1.7
101.02324	22.5
109.02798	1.9
111.00722	1.3
113.01637	1.1
113.02334	15.9
119.03399	4.6
123.00740	1.3
123.04382	1.6
125.02269	3.2
126.02779	0.9
129.00966	1.3
129.01811	11.8
135.04373	1.7
136.33481	0.8
137.02284	3.5
142.40405	0.7
143.03377	1.4
147.02879	8.9
151.00200	3.1
152.01059	1.1
153.01784	1.7
154.99770	1.0
157.95892	0.9
159.02834	2.4
159.04358	0.9
161.04468	13.0
165.03954	68.0
165.12807	7.0
166.02560	4.6
166.04192	2.6
167.08891	0.9
175.03795	1.2
175.07419	1.3
176.04636	1.0
179.03407	1.4
179.05482	0.9
181.05042	4.9
181.06279	1.0
207.13814	11.8
209.11769	12.3
215.06960	0.9
219.06522	3.0
225.14935	4.2
251.12877	4.1
269.13925	100.0
270.14212	4.8
285.04004	2.1
314.13913	1.0
316.15442	1.3
376.17551	2.8
399.15866	1.4
417.17279	32.3
417.24921	4.2
418.17676	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	417.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.8
57.03330	1.7
57.26060	0.6
59.01252	100.0
59.27416	0.7
60.01582	1.4
60.85826	0.8
64.56274	0.7
70.88833	2.5
71.01254	30.2
72.99189	1.7
73.02829	4.3
77.71291	0.9
81.50117	0.8
83.01257	2.4
85.02821	10.2
85.03928	3.6
87.00758	1.6
89.02317	30.2
95.01275	2.0
99.00756	1.7
101.02322	18.4
113.02327	14.3
119.03400	14.3
125.02327	1.6
127.07649	0.8
128.03423	4.7
131.03362	1.6
139.00266	0.7
143.03418	4.0
151.05064	1.5
151.65974	0.7
157.06111	2.5
159.02924	1.7
161.04468	23.7
174.02153	0.8
177.09116	6.6
179.05568	7.2
195.10297	1.3
196.07147	1.0
197.73502	0.7
205.03506	0.8
216.75137	0.8
240.47070	0.8
268.09314	1.1
286.10443	1.4
320.09238	7.3
357.15549	22.9
358.15936	1.9
417.13446	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95392	0.4
57.03317	0.6
59.01253	100.0
60.01584	1.1
62.95857	0.4
71.01256	7.4
71.56351	0.8
72.99200	0.8
73.02832	2.1
73.03918	0.6
75.00749	0.6
82.02852	0.9
82.20453	0.5
83.01283	0.8
85.02843	3.7
85.03950	7.9
87.00743	0.8
87.05533	1.9
88.03934	0.7
89.02328	1.0
95.01250	0.7
99.00780	1.6
101.02357	3.8
102.00098	1.3
108.02123	0.6
112.48147	0.5
113.02323	2.9
119.02693	0.8
121.02859	2.1
123.04433	0.9
125.02383	1.3
127.05054	2.0
127.89723	0.5
128.03424	15.0
135.04462	1.2
135.05527	1.1
137.02284	0.6
151.00298	0.6
152.08238	1.2
153.01740	0.5
153.06590	0.8
157.06100	9.2
157.07291	0.7
159.02908	1.0
159.07726	0.5
161.04471	5.9
166.06128	0.9
168.36194	0.5
169.01341	1.1
174.02220	2.6
179.04578	1.7
180.07840	11.5
183.91536	0.5
184.07399	0.5
191.04823	1.1
195.10220	14.9
196.07204	2.1
196.10556	0.9
214.08212	0.6
254.70091	0.5
268.09427	1.2
286.10532	4.1
302.08221	1.5
320.09204	21.6
370.08765	1.1
417.13553	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	417.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.2
57.03333	1.5
57.49290	0.7
58.00462	1.3
59.01254	100.0
60.01577	1.0
60.48972	0.6
61.98698	0.9
63.90910	0.6
68.42631	0.7
69.58619	4.4
71.01257	32.2
72.99203	1.6
73.02828	3.6
75.00748	0.9
83.01275	1.8
85.02829	7.4
85.03925	4.9
87.00755	2.1
87.05530	1.4
88.03899	0.9
89.02323	24.3
95.01287	2.6
99.00764	1.5
101.02332	17.9
102.00101	0.7
102.02698	0.7
113.02339	13.5
119.03382	11.8
125.02374	1.7
126.54650	0.7
128.03439	8.9
131.03386	1.5
143.03429	3.3
149.04510	1.3
157.06102	6.0
159.02946	1.6
161.04478	19.7
174.02284	2.2
174.24960	0.6
177.09108	5.0
179.05592	4.2
195.10223	2.2
196.07275	1.2
205.03575	1.1
268.09521	1.5
286.10526	2.4
320.09216	10.9
357.15552	16.1
358.15964	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50628	1.5
55.01765	3.5
57.03316	2.9
58.20325	1.5
59.01253	100.0
69.64402	3.7
69.64825	6.7
71.01260	62.3
72.99185	3.5
73.02815	16.7
75.00748	3.3
83.01254	8.0
85.02826	32.7
85.03943	5.8
87.00771	3.1
87.05529	1.4
89.02312	8.5
95.01254	4.5
97.02855	1.9
99.00767	8.9
101.02324	33.7
111.08066	3.7
113.02332	27.0
118.01396	2.0
123.00721	2.5
123.04362	1.6
123.87218	1.5
125.02341	5.0
128.03438	12.4
136.86131	1.5
137.02365	3.0
138.02942	1.6
139.06543	2.8
139.07555	33.6
140.07843	1.5
143.03355	2.5
157.06032	7.7
159.02951	6.9
161.04468	52.6
165.01920	1.6
169.01389	2.1
178.06352	1.8
195.10194	4.9
196.07196	1.7
205.03482	3.4
286.10577	2.7
297.72968	1.4
320.09113	13.5
357.15521	12.2
417.13504	6.5
417.18707	1.9
440.42664	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1188
Annotation	Pinocembrin 5-O-glucoside
Peak:m/z	Relative Intensity
52.42802	0.2
52.82111	0.2
57.03317	0.3
59.01257	2.6
62.28375	0.2
63.02264	1.7
64.50231	0.2
65.00198	4.5
67.01748	0.4
68.99688	0.6
70.99928	0.5
71.01255	1.0
75.00784	0.2
77.99238	0.2
81.03315	0.2
83.01265	4.0
85.02827	0.3
87.00758	0.2
89.02322	0.5
92.98717	0.2
93.03320	0.2
93.74895	0.2
94.84045	0.2
95.01237	0.2
97.02836	0.4
101.02316	0.5
105.94366	0.2
107.01273	5.9
108.02032	0.7
109.02834	0.6
113.02340	0.3
115.05418	0.2
117.06992	0.2
120.51633	0.2
123.00765	0.6
125.02344	0.7
130.04059	0.2
131.01273	0.7
133.02840	0.8
135.00772	0.3
136.01570	0.7
137.02316	0.5
141.06960	0.5
143.04863	0.3
145.06490	4.3
149.02336	0.3
151.00279	11.8
152.00839	0.3
154.99922	0.2
155.08549	0.4
164.01068	1.5
166.02669	0.2
169.01334	0.8
169.06503	2.5
171.04428	6.7
172.05196	1.6
173.05916	1.1
175.00281	1.1
177.01833	0.4
181.05022	0.3
183.08063	1.4
185.06023	1.0
187.07541	2.2
188.07895	0.2
193.06503	0.5
196.00133	0.3
211.07600	7.8
212.07956	0.6
213.05502	6.0
214.05849	0.2
225.05470	0.4
227.07039	0.6
239.07132	0.7
241.08528	0.5
251.07112	0.4
255.06604	100.0
256.06940	6.9
267.06595	0.3
269.08234	1.5
277.08636	0.3
279.06613	9.6
280.06989	0.8
297.04471	0.4
297.07684	5.2
298.07990	0.4
309.07681	1.3
357.09744	0.4
417.11856	2.5
430.84906	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09340	0.4
55.88664	0.4
56.37416	0.4
59.01252	3.6
59.90400	0.4
62.17659	0.3
70.24053	2.1
75.00746	1.4
75.22638	0.4
83.01252	0.5
85.02811	1.2
89.02306	1.5
95.01222	0.6
95.04868	0.7
98.19794	0.5
101.02322	1.5
107.01244	1.2
109.02831	1.1
119.03401	0.7
119.04919	0.4
120.93988	0.4
121.02879	0.6
123.00766	1.2
125.02359	1.5
132.02089	0.8
133.02773	0.6
135.00742	0.6
135.04448	0.4
137.02376	2.4
151.00256	6.6
153.01819	0.4
165.03911	1.5
166.02628	8.7
166.99789	0.6
167.03125	0.8
169.01408	0.7
174.03215	0.5
175.03932	0.8
175.11227	0.5
177.01718	0.8
178.99820	0.5
181.04987	11.9
182.05331	0.6
183.04408	1.7
185.06050	0.6
187.03926	0.8
199.03958	0.8
211.03876	2.8
212.04567	0.4
213.05627	0.4
227.03444	86.6
228.03786	6.6
229.04950	1.0
239.03293	0.7
241.04993	0.5
255.02960	100.0
256.03531	13.0
257.04333	1.4
267.55661	0.4
269.13931	1.3
284.03250	80.5
285.03940	30.6
286.04462	2.7
327.05093	1.0
387.10742	2.0
402.13071	1.7
417.08237	97.1
417.14984	2.8
418.08612	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	417.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.6
79.23961	0.6
83.01236	0.8
93.03326	1.2
98.19662	1.0
107.01286	1.2
109.02804	1.0
125.02352	1.5
135.00790	1.3
151.00290	2.2
153.01765	0.8
154.53745	0.5
159.04398	0.7
161.04480	0.6
163.00284	1.4
165.01830	0.6
166.02577	0.7
169.01335	1.3
171.04387	1.2
181.05009	0.7
183.04436	2.0
185.05981	1.3
187.03830	1.5
199.03946	0.6
211.03943	3.5
213.05537	1.2
215.03401	0.9
227.03455	75.2
228.03821	5.8
229.04997	4.0
239.03441	1.4
240.04236	0.6
241.04953	1.2
255.02974	100.0
256.03534	12.3
257.04489	3.4
282.37158	0.6
284.03259	84.3
285.04010	76.2
286.04440	6.2
327.05338	0.6
371.21024	0.8
417.08252	68.9
418.08594	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	417.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	3.1
69.03327	4.0
69.80952	4.6
69.81364	3.2
71.01275	2.1
73.02782	1.2
83.01275	2.1
85.02838	4.2
97.02816	5.9
100.06419	1.3
107.01270	1.7
109.02818	1.8
111.22457	1.2
123.00790	7.9
124.01556	24.5
125.02338	100.0
126.02697	3.1
137.02364	4.0
149.98288	2.5
149.99498	48.8
151.00154	3.6
153.01801	2.1
162.02425	1.2
167.03391	1.4
168.00554	99.5
169.01347	15.8
191.01830	1.5
283.01126	1.3
313.05737	5.4
331.03452	1.1
331.06708	68.3
332.06982	4.8
355.06635	5.8
373.07751	74.0
374.07983	6.3
399.05508	1.4
417.10394	3.7
418.10443	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	1.2
59.01252	100.0
60.01599	0.8
69.24229	8.6
69.24637	1.0
71.01257	7.7
73.02815	1.8
75.00780	0.8
83.01262	1.4
85.02826	2.7
89.02321	6.2
101.02320	5.1
103.76315	0.8
113.02342	3.2
119.03366	2.1
125.02367	5.1
147.11714	4.8
173.13289	6.1
191.14220	0.8
195.04424	1.1
217.12331	1.0
235.13319	4.1
245.69823	0.8
385.83734	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67725	9.1
55.13057	10.5
59.01249	100.0
71.57372	13.1
71.57809	17.2
78.73443	10.2
103.75063	9.3
111.70625	10.5
156.88698	9.7
183.86789	12.4
240.01222	15.0
246.69153	11.3
279.23276	39.0
315.33240	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.3
57.03320	5.0
59.01249	5.8
65.00204	1.5
69.03320	6.8
71.01265	4.1
71.57632	1.3
72.99171	3.0
75.00745	6.5
81.03346	4.4
83.01259	7.4
84.02050	1.0
85.02824	23.1
86.03162	2.2
87.00774	1.9
89.02357	2.3
93.89084	1.0
94.43804	0.9
95.01264	2.0
95.04917	1.1
97.02847	4.4
99.00764	2.0
101.02296	1.9
103.00213	1.1
107.01261	4.3
108.02063	18.0
109.02847	6.3
111.00770	4.0
111.22264	0.8
113.02311	1.9
123.00760	9.8
123.04388	2.3
123.05537	1.9
124.01556	26.9
125.02338	100.0
126.02696	3.0
129.01828	6.2
135.04430	1.1
136.01598	1.1
137.02373	2.5
147.02934	2.0
149.02379	1.4
149.99487	40.3
151.00278	17.0
151.03915	1.9
152.01059	22.9
153.01808	1.2
163.03896	1.4
165.05513	1.9
167.03421	2.8
168.00557	79.4
169.01341	23.1
175.00227	1.1
191.01874	3.4
193.01352	1.6
205.03436	9.6
209.02986	3.1
211.02376	1.3
223.04561	4.8
241.07372	1.3
313.05569	4.0
331.06708	56.4
332.07022	3.8
355.06519	5.3
373.07755	85.0
374.08102	7.8
399.05753	1.1
417.05377	2.0
417.10419	25.1
418.10962	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	415.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50434	0.4
55.01745	0.4
57.03319	0.4
58.00475	0.6
59.01250	100.0
60.01573	0.7
69.50552	3.5
71.01254	15.3
72.01599	0.4
72.55731	0.4
72.99196	0.9
73.02816	3.8
73.71603	0.4
75.00750	0.4
83.01266	2.2
83.99937	0.4
85.02818	4.9
87.00755	0.9
89.02318	10.7
89.02826	0.7
95.01289	1.5
98.19952	1.3
99.00764	1.0
100.26431	0.4
101.02325	11.4
103.79349	0.4
113.02334	7.5
119.03378	3.5
125.02366	1.4
134.92348	0.4
137.09712	0.4
141.01691	0.6
143.03384	0.6
149.04478	0.4
150.58897	0.4
150.60130	0.4
151.00264	1.0
152.01083	0.9
161.04478	4.2
178.99770	2.9
179.05560	0.8
207.01492	0.4
211.17119	1.5
249.02667	0.6
261.88397	0.4
273.07706	0.4
350.18744	0.4
355.06625	0.4
355.21478	1.2
360.75674	0.4
373.22281	19.8
374.22803	1.6
415.23489	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51699	0.3
55.01767	0.4
57.03331	1.0
58.00454	0.8
59.01250	100.0
60.01592	1.1
61.88460	0.3
62.26262	0.4
62.71908	0.3
69.49727	0.8
69.50134	2.0
71.01253	15.2
72.99195	1.4
73.02824	4.2
83.01254	2.2
85.02827	5.0
85.80480	0.3
85.81014	0.3
87.00738	0.5
89.02316	9.5
95.01260	1.6
97.02855	0.7
99.00774	1.4
101.02326	10.2
111.00722	0.3
113.02328	7.7
113.03055	0.6
119.03394	3.8
125.02328	1.0
126.94614	0.3
137.09645	0.6
141.01646	0.5
143.03421	1.4
149.04451	0.4
151.00285	1.0
152.01079	0.7
159.02925	0.6
161.04454	4.7
167.03445	0.5
169.01326	0.3
178.99780	2.1
179.05547	0.6
211.17017	1.2
232.03091	0.3
249.02541	0.8
355.06833	0.8
355.21283	2.3
373.22284	20.7
374.22714	2.1
377.36890	0.3
387.30951	0.3
415.23438	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	6.0
57.03318	4.3
59.01254	90.8
71.01258	25.0
72.99178	2.9
73.02827	3.6
75.00750	41.5
83.01242	2.0
85.02821	15.4
87.00728	4.6
89.02316	17.4
98.20556	5.2
99.00769	2.6
101.02319	11.1
109.92019	2.6
111.82341	1.9
113.02328	8.9
119.03389	7.5
125.02382	2.0
125.82417	1.7
129.01830	10.6
134.28134	1.7
140.47855	1.7
141.01845	5.3
147.02885	6.6
149.04475	4.0
151.00275	2.6
152.49187	1.8
161.04425	3.6
161.13232	2.3
165.03969	100.0
223.13373	32.0
224.13646	3.3
229.53221	2.4
253.05022	3.2
253.10815	1.9
267.12296	8.0
273.70358	1.8
285.04144	11.0
286.04413	2.6
326.07254	2.6
415.15860	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	415.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45544	0.3
52.92001	0.4
59.01248	0.8
69.63196	1.1
69.63621	1.7
78.95771	5.8
82.00681	0.4
86.77332	0.3
96.96853	0.6
152.99493	24.3
153.99825	0.5
196.68820	0.4
201.34760	0.4
228.54462	0.4
260.32797	0.3
279.23291	100.0
280.23627	9.8
284.72134	0.4
401.09631	0.4
415.22626	6.2
416.22549	0.9
421.43118	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	0.8
66.14499	0.5
69.86671	0.4
74.98978	5.6
77.00538	78.0
78.00889	0.7
79.58414	0.4
87.51135	0.5
98.11691	0.5
130.79573	0.4
132.93327	0.6
132.94331	0.6
147.08072	1.9
149.09648	1.6
161.09613	0.8
163.11174	2.7
186.00111	0.5
187.11143	2.5
205.00726	0.4
229.29970	0.5
265.12421	0.7
279.14096	0.6
280.14728	1.4
307.16885	0.6
309.22293	1.8
322.19308	0.7
337.21735	100.0
338.22040	13.6
415.23065	10.0
416.23373	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51604	0.7
57.53933	0.7
59.01254	100.0
69.56693	5.1
69.57030	1.0
71.01257	6.4
72.99188	0.7
73.02829	1.7
80.87752	0.6
82.44582	0.6
83.01270	1.0
85.02837	2.7
90.82159	0.7
95.01249	0.7
99.00708	0.8
101.02332	3.9
102.40778	0.6
113.02325	3.9
120.47546	0.7
125.02370	1.6
159.02921	1.0
161.04518	3.9
169.01395	1.2
205.60385	0.7
224.15993	0.7
398.31378	0.7
409.02100	0.7
415.15872	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	6.7
57.03327	7.1
58.00471	2.2
59.01254	49.8
60.01569	0.9
64.84461	0.8
69.03337	4.1
69.61414	7.0
71.01257	100.0
72.99181	4.8
73.02822	38.5
74.03169	1.0
75.00761	3.9
81.03339	1.5
83.01257	15.1
85.02826	44.5
87.00756	6.4
89.02320	24.5
89.02824	1.6
95.01285	6.5
97.02841	5.0
99.00764	18.8
99.04400	1.4
101.02328	73.2
107.01251	0.9
109.02847	1.3
111.00808	2.7
113.02333	35.9
114.02650	0.9
115.03937	3.6
119.03412	1.4
123.00808	2.3
124.10732	0.9
125.02338	11.4
129.01851	2.3
131.03395	4.9
135.04433	1.1
136.21892	0.9
137.02437	1.2
139.00264	1.6
141.01857	0.9
143.03378	6.1
149.04510	4.5
151.00337	2.7
159.02937	9.1
161.04474	54.7
162.04797	1.1
164.32118	0.8
165.05466	1.0
168.00529	1.3
169.01413	4.3
191.05612	1.8
192.04263	2.4
193.05058	1.6
193.08678	1.2
201.33777	1.0
205.03578	2.8
221.08261	3.3
233.06555	5.1
239.12971	1.4
253.04962	1.1
253.10881	3.9
261.69055	1.0
283.11877	79.4
284.12256	7.2
284.14963	1.0
293.08817	2.6
373.15277	1.2
415.16394	72.6
416.16739	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	415.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69454	1.4
57.03325	6.7
58.00472	1.9
59.01253	27.9
59.01532	2.4
69.05531	1.8
70.32662	1.4
71.01254	35.8
71.04897	1.7
71.59674	2.3
72.99190	21.5
73.02833	7.3
75.00751	100.0
80.30773	1.6
83.01276	2.9
85.02830	15.8
87.00745	9.3
89.02328	11.2
95.01275	3.5
97.02848	2.0
99.00764	5.7
101.02334	12.1
105.01823	26.6
108.02040	8.4
109.02881	7.5
111.00777	2.9
113.02325	11.2
119.03415	4.6
121.02840	1.6
123.00843	1.8
125.02354	3.1
129.01790	9.9
135.02907	5.6
135.04378	2.0
137.05975	2.4
147.02901	22.6
149.02357	3.6
151.07480	1.9
152.01033	7.9
152.99535	1.4
153.01817	4.5
153.09096	2.2
154.96181	1.5
161.04468	2.7
161.09613	3.0
164.04688	1.8
191.01953	4.7
193.08589	1.8
205.03450	2.7
205.12361	2.9
207.06560	2.5
207.10254	2.0
221.11719	2.6
223.04602	2.8
223.13217	1.6
235.09808	3.5
269.10248	3.2
397.15219	1.8
415.11856	5.8
415.16809	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	415.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22904	0.8
57.03322	12.4
57.66492	0.7
59.01252	100.0
60.01579	0.9
61.04887	0.6
61.98706	2.1
71.01256	6.8
71.58781	0.8
73.02804	1.5
75.00744	1.6
78.95768	0.8
81.03339	0.7
81.97988	0.6
83.01276	0.7
85.02837	3.0
89.02309	1.3
95.01330	0.6
99.00754	1.3
101.02323	2.8
109.02854	1.1
113.02344	2.9
119.03430	0.7
121.02863	2.2
123.00820	0.8
125.02370	2.2
129.01822	0.9
137.02347	1.0
149.02330	1.4
150.03059	0.8
150.06821	1.0
151.00377	0.8
151.41615	0.7
152.01089	0.7
152.99501	1.0
153.01822	0.8
161.04449	3.7
165.05453	0.8
167.03481	0.9
167.07178	0.7
178.06232	4.0
193.08621	23.3
193.10329	1.2
194.08916	1.1
207.06667	1.3
211.06062	1.3
221.08272	1.0
223.04539	1.1
349.94998	0.8
415.12576	2.2
415.20163	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42918	0.3
52.67078	0.2
56.65097	0.3
59.01257	1.6
69.27036	3.3
71.01244	2.7
73.02829	0.5
73.26220	0.3
75.45695	0.3
83.46956	0.3
85.02818	1.0
89.02325	0.9
101.02343	1.7
101.02906	0.3
108.57105	0.3
113.02295	0.7
121.02855	0.8
134.30602	0.3
135.04413	1.9
145.02873	2.1
146.03632	58.1
147.04034	2.8
151.03923	0.4
161.04591	0.7
161.05980	17.1
162.06317	1.0
163.03896	1.6
164.04697	38.0
165.05034	2.1
175.12747	0.3
179.07053	100.0
180.07419	5.1
237.42607	0.3
250.54361	0.3
415.16504	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05955	3.4
59.01247	6.0
59.89272	3.0
69.38461	11.6
69.38880	19.8
81.03317	3.9
83.01277	4.5
90.33788	3.5
94.96362	3.6
98.19833	7.1
123.04418	36.3
125.02298	6.0
148.42175	3.5
149.04507	3.8
167.03419	100.0
168.03746	3.9
191.03433	22.8
209.04422	12.5
229.04420	3.9
351.60159	3.1
371.09726	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	415.088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98179	0.6
55.01744	1.7
57.03323	10.0
59.01253	5.8
60.95219	0.7
68.99677	0.7
70.99332	2.0
71.01243	3.6
72.99178	2.9
75.00751	1.9
77.17066	0.7
83.01260	1.3
84.02045	2.2
85.02823	100.0
86.03165	1.9
89.02306	1.4
101.02307	1.0
103.00269	1.9
111.00745	1.1
129.01823	7.2
133.01315	0.8
147.02892	9.8
149.02347	3.4
164.04669	1.5
191.01897	30.1
192.02232	0.7
209.02972	13.8
223.06044	3.8
247.36809	0.8
249.06403	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	2.4
57.03324	13.4
57.07736	0.5
59.01253	10.0
62.09233	0.7
68.99694	0.7
69.65928	3.3
69.66344	1.4
71.01254	5.5
72.99192	3.8
75.00745	1.7
75.96936	0.5
83.01250	1.8
84.02043	3.0
84.95556	0.6
85.02824	100.0
86.03177	2.3
87.00739	1.1
89.01833	0.6
89.02317	2.9
98.20511	1.3
101.02334	1.3
103.00237	2.3
103.47371	0.6
111.00746	1.5
111.83360	0.6
113.02323	1.2
115.00312	0.8
116.92760	0.7
119.03428	0.6
121.02868	1.2
129.01851	5.8
135.04414	1.8
140.87851	0.6
147.02895	8.4
149.02330	4.0
164.04727	2.7
179.05620	0.7
191.01897	21.9
192.02275	0.8
209.02946	9.1
209.04608	0.8
223.06116	2.0
250.13443	0.7
415.09238	1.2
415.14551	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	6.7
60.11209	0.3
64.03815	0.3
67.01757	0.4
69.03325	1.6
71.01256	1.3
71.59386	0.3
71.59871	0.7
81.03343	1.1
83.01219	0.3
84.47033	0.3
85.02841	0.7
89.02316	0.6
89.68543	0.3
95.01257	1.2
96.95967	0.3
97.02844	2.0
99.00748	0.4
101.02325	0.6
101.05956	2.2
103.34080	0.3
107.01315	0.4
111.00762	0.7
121.02893	0.4
123.00759	2.0
124.01558	5.3
125.02339	74.5
126.02652	2.3
137.02403	0.4
139.00282	1.1
141.20784	0.3
153.01793	0.5
154.02620	0.6
161.02382	0.3
161.04466	0.6
165.01833	0.6
166.99765	1.0
167.03441	0.5
167.99144	0.6
168.00557	8.3
169.01337	100.0
170.01686	3.7
181.01321	0.4
182.02138	0.8
183.02861	1.1
191.03427	0.5
193.01393	0.5
195.03146	0.4
202.35544	0.3
207.02963	0.5
211.02435	1.2
224.06973	0.5
252.06387	0.5
253.07150	1.6
283.11743	0.7
313.05713	2.1
415.12436	57.0
416.12814	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	415.161
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43423	0.5
55.01761	1.1
57.03309	1.3
58.00466	0.8
59.01252	15.1
65.00198	0.6
67.01762	1.2
69.03332	0.9
69.28844	6.0
71.01253	8.8
72.99184	1.4
73.02818	2.1
75.00745	1.5
75.88336	0.5
79.01764	1.2
83.01262	3.1
85.02829	5.2
87.00751	1.1
89.02309	2.6
95.01263	2.9
97.02827	1.0
98.19776	1.0
99.00775	1.0
101.02330	5.7
107.01292	2.7
111.00783	3.6
113.02341	3.7
119.03443	1.0
121.02855	1.3
123.00774	15.8
123.04398	4.9
124.01597	0.9
125.02342	19.8
126.02724	0.7
127.00285	1.3
129.01791	0.8
136.98694	1.3
137.02354	1.2
139.00282	4.8
140.01038	4.2
141.01872	2.6
147.02954	0.5
149.02345	1.0
151.00276	13.6
153.01843	1.5
161.04514	0.8
165.03937	3.3
165.05205	0.6
166.02684	0.7
167.03415	18.4
168.00540	4.4
168.03725	0.7
169.01347	16.4
170.01683	1.0
179.05475	0.6
181.05014	0.9
203.03343	0.9
207.06544	0.6
211.02327	0.9
223.13336	2.9
235.09743	2.1
253.10774	0.9
267.12360	0.9
285.04218	0.7
313.05765	0.7
364.11563	0.7
415.16083	100.0
416.16440	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	413.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10195	11.9
59.01252	100.0
72.71110	9.8
75.57600	10.2
83.37297	11.5
98.19813	40.7
101.67573	11.5
102.44605	11.2
176.54074	10.7
190.79170	11.1
327.73407	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	413.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92303	3.7
56.19981	3.6
59.01252	100.0
65.60840	3.7
83.14489	4.5
91.33408	3.9
120.74946	4.9
151.19331	4.2
155.44550	4.0
174.34987	4.6
212.77963	4.4
222.46858	4.5
236.36092	4.4
283.99802	4.4
338.86761	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	413.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.9
57.03325	1.0
58.00478	0.2
59.01253	100.0
60.01590	1.1
69.03326	0.2
69.36300	0.3
69.36700	1.4
69.81005	0.2
69.99381	0.2
71.01257	7.3
72.99195	0.4
73.02827	2.2
75.00783	0.3
77.59107	0.2
81.03342	0.3
83.01259	2.0
85.02827	3.9
87.00770	0.3
89.02309	1.6
95.01286	0.7
97.02825	0.4
98.20178	0.8
99.00761	1.0
101.02319	5.4
111.00807	0.2
113.02332	3.2
119.03403	0.4
119.04952	0.2
121.02896	0.2
125.02340	5.8
125.06049	0.2
126.02658	0.2
129.01848	0.3
137.09666	0.2
143.03456	0.3
149.02394	0.4
151.00314	0.3
159.02989	0.5
161.04474	2.8
167.03445	0.3
169.01340	0.3
203.03502	0.3
209.15392	1.6
233.08092	1.4
251.09189	1.3
258.09525	0.2
315.11679	0.2
353.19699	1.8
353.23309	0.2
354.20248	0.4
371.20749	7.5
372.21301	0.5
403.65414	0.2
413.14618	0.2
413.21848	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.3
59.01249	100.0
60.01574	0.8
71.01258	2.5
72.99146	0.4
73.02831	1.0
75.00780	0.3
81.03349	0.5
83.01246	3.3
85.02838	1.3
89.02325	1.9
93.11184	0.3
99.00801	0.3
101.02342	2.0
113.02344	1.5
118.79089	0.3
119.03410	0.6
121.02962	0.4
125.02334	21.9
125.05959	1.8
126.02696	0.6
149.02341	1.8
151.00291	0.5
161.04401	0.6
167.03323	1.7
169.01344	0.4
189.12717	0.6
192.81340	0.4
202.57025	0.4
204.04346	0.6
209.15492	0.6
211.06206	0.3
233.08136	5.8
251.09232	8.9
252.09447	0.4
275.09344	0.5
353.19775	0.7
362.18747	0.4
371.20911	1.0
413.14273	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	413.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.7
57.03322	100.0
59.01249	79.7
69.56263	10.1
71.01254	17.0
72.99187	1.4
73.02819	6.5
75.00768	1.3
78.95777	4.8
83.01250	3.7
85.02827	10.9
89.02315	1.8
93.03339	2.8
99.00740	3.2
99.04394	74.9
100.04708	1.9
100.64250	1.3
101.02315	28.7
113.02356	6.6
119.04913	6.9
125.02331	26.8
137.02327	3.5
152.99487	6.1
161.04407	6.2
190.57510	1.3
207.69408	1.2
251.16328	1.5
269.10272	22.9
270.10855	2.2
311.11505	3.0
334.39838	1.2
351.14554	1.5
364.71753	1.4
413.14917	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	413.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.7
57.03323	7.1
59.01251	29.4
65.03830	2.2
68.99703	0.9
69.03332	1.2
70.02615	3.0
71.00892	0.9
71.01257	9.3
72.99175	2.7
73.02821	0.9
75.00752	5.2
81.03330	1.0
83.01279	0.6
83.04897	7.7
85.02339	0.9
85.02824	9.3
87.00744	12.6
89.02321	3.4
93.03349	1.7
95.01250	1.9
95.04900	2.3
96.85555	0.5
97.02831	0.9
97.06478	0.6
98.03607	0.6
99.00759	3.7
99.04414	1.0
101.02326	1.5
103.00216	0.7
106.04118	0.7
109.06467	0.7
111.04409	2.7
111.08025	1.8
113.02325	11.6
115.00257	0.9
117.03374	0.7
119.04919	14.1
119.08562	1.0
120.05212	0.9
121.06480	4.4
122.03622	0.7
123.08049	19.2
124.05195	1.6
125.02339	0.9
125.09586	0.7
129.01775	0.9
129.06981	0.8
135.08049	0.7
137.02336	0.8
137.05998	1.0
137.09627	3.4
139.07558	2.7
145.02852	6.2
145.10121	3.2
147.08061	3.2
149.06026	0.6
151.07582	1.9
153.09145	2.8
161.04443	1.6
163.03928	12.6
163.07564	0.8
163.11166	0.6
164.04355	0.6
164.08281	2.7
165.09113	0.7
169.08629	1.4
169.10136	2.5
171.11711	21.2
172.12068	1.7
175.02477	0.7
175.11172	0.7
185.09702	1.0
189.12794	6.9
191.07031	1.6
201.12791	7.9
207.05096	0.7
207.13789	5.1
219.13858	3.0
237.07765	0.7
237.14922	30.2
238.15266	1.9
241.30260	0.6
249.06137	8.8
250.06503	0.7
267.07202	36.9
268.07596	2.5
281.13934	100.0
282.14319	7.8
401.74597	0.5
413.10721	14.4
413.18411	5.1
414.11307	1.1
414.18436	1.0
416.07718	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18028	0.4
55.01761	0.9
57.03318	1.7
58.06273	0.3
59.01253	100.0
60.01586	0.8
69.25521	2.2
69.25955	1.6
71.01256	6.7
73.02838	2.1
81.03336	0.5
83.01271	1.4
85.02840	3.4
87.00762	0.7
89.02326	1.1
95.01292	0.6
97.02856	0.6
99.00784	0.9
101.02332	5.4
107.52666	0.3
113.02328	3.4
119.03391	0.5
125.02336	15.1
126.02683	0.6
127.79161	0.4
137.09592	0.3
143.03413	0.4
149.02338	2.0
159.02954	0.5
161.04474	2.8
167.03467	1.3
186.10353	0.3
209.15498	1.3
212.55333	0.4
233.08070	0.8
234.75304	0.3
238.97418	0.4
251.09218	2.0
353.19791	1.6
371.20758	8.1
371.25003	0.6
372.21609	0.4
413.14807	1.5
413.21548	0.4
422.57455	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.7
57.03316	2.0
57.98067	0.4
59.01249	25.8
65.00187	0.9
69.46362	3.6
71.01257	1.7
73.02824	0.6
81.03323	5.6
83.01259	3.5
83.26240	0.4
85.02806	0.9
88.86422	0.5
89.02276	0.9
95.04858	0.6
97.02818	0.5
97.53879	0.5
98.19796	0.9
101.02310	0.6
101.05960	0.7
106.12888	0.4
107.01247	1.3
113.02290	0.8
122.03620	2.4
123.04399	0.8
123.08028	2.8
125.02334	20.3
125.05965	5.3
126.02685	0.7
137.02432	0.7
149.02356	2.1
151.00258	1.3
161.02344	0.6
161.04483	0.8
165.09117	26.5
166.09468	1.4
167.03386	1.9
178.02672	0.9
179.03435	3.0
191.07072	0.7
193.04965	0.6
194.05774	1.6
196.66518	0.5
209.08127	100.0
210.08498	5.3
233.08160	1.1
251.09212	5.0
275.09238	0.6
293.10513	0.6
353.12473	0.8
371.20853	0.8
398.12183	0.6
413.14484	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.8
59.01253	1.8
65.00182	1.0
67.01769	0.2
69.51620	0.9
69.52029	0.3
71.01232	0.3
73.02826	0.2
77.76309	0.1
81.03331	5.7
81.06979	0.2
82.03686	0.1
83.01257	1.4
85.02837	0.2
89.02367	0.2
90.04390	0.1
95.04908	0.1
97.02902	0.2
98.19821	0.3
98.20479	0.3
99.08037	1.6
101.02296	0.2
101.05943	1.0
105.06989	0.3
107.01283	0.9
109.02830	0.1
113.02303	0.1
121.06503	0.3
123.00828	0.2
123.08046	3.0
124.01583	0.3
124.08451	0.2
125.02345	6.5
125.05975	6.3
126.06216	0.2
131.98224	0.1
135.04472	0.1
136.05202	0.8
137.05971	0.2
137.09631	0.2
139.03914	0.1
141.09042	0.7
147.08052	1.3
149.02376	0.9
149.04478	0.2
149.05925	0.2
150.06705	0.2
151.00276	1.5
152.01021	0.3
153.54034	0.1
165.09126	28.3
166.09422	1.2
167.03426	0.2
167.07082	0.2
179.03503	0.1
180.04225	0.1
191.07072	1.8
192.07439	0.2
198.18385	0.2
203.86044	0.1
205.08629	0.4
209.08136	100.0
210.08461	5.6
210.10478	0.3
233.08221	0.8
251.09254	1.4
274.98209	0.1
413.14301	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.7
57.03322	100.0
59.01249	79.7
69.56263	10.1
71.01254	17.0
72.99187	1.4
73.02819	6.5
75.00768	1.3
78.95777	4.8
83.01250	3.7
85.02827	10.9
89.02315	1.8
93.03339	2.8
99.00740	3.2
99.04394	74.9
100.04708	1.9
100.64250	1.3
101.02315	28.7
113.02356	6.6
119.04913	6.9
125.02331	26.8
137.02327	3.5
152.99487	6.1
161.04407	6.2
190.57510	1.3
207.69408	1.2
251.16328	1.5
269.10272	22.9
270.10855	2.2
311.11505	3.0
334.39838	1.2
351.14554	1.5
364.71753	1.4
413.14917	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	413.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03294	0.5
59.01256	12.7
61.98716	0.3
64.77474	0.2
65.00220	0.8
67.01775	0.3
69.03327	0.2
70.89391	0.6
71.01257	1.6
71.04893	0.3
75.00747	0.7
80.48988	0.2
81.03337	7.1
83.01268	1.1
85.02843	0.5
93.03358	0.5
95.01275	0.6
95.04919	0.7
97.02843	0.8
99.07486	0.4
99.08035	2.0
101.02360	0.5
101.05979	1.0
107.01263	0.7
109.02837	0.6
121.02876	0.8
123.04421	0.5
123.08033	3.2
124.01556	0.6
125.02350	5.5
125.05984	7.5
127.07536	0.4
131.01317	0.3
136.05200	0.8
137.02336	0.5
137.06052	0.3
139.03882	0.5
141.09123	0.8
147.08081	0.7
149.02393	1.7
149.06047	0.3
149.09683	2.2
149.98132	0.3
150.06773	0.3
151.00365	0.9
152.01050	1.1
165.01848	0.3
165.09140	40.2
166.02615	0.5
166.09462	2.0
167.07034	0.4
175.00322	0.6
177.09186	0.6
179.03436	0.3
179.07054	1.0
179.10706	0.3
181.08572	0.3
191.07057	1.7
193.04831	0.3
193.08638	1.5
205.08673	1.7
207.06624	0.3
207.10217	0.3
208.07365	0.4
209.08148	100.0
210.08473	5.7
215.07071	1.2
221.08116	1.5
222.08826	0.5
223.09714	5.0
227.98643	0.3
233.08170	33.5
234.08504	2.5
235.09686	0.4
247.09782	0.6
249.07472	0.4
251.09238	13.3
252.09613	0.6
261.11285	0.3
261.14914	0.3
263.09125	1.6
275.09274	2.4
293.10211	0.7
305.09982	0.3
311.11755	0.4
317.10385	0.4
323.11276	0.5
335.11426	1.5
353.12439	3.8
395.13400	0.6
413.14539	5.5
413.20813	0.7
414.14896	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	100.0
58.03640	1.5
59.01250	93.6
60.01568	1.2
60.36133	1.0
66.95899	1.3
69.28595	13.6
69.77698	1.2
70.84971	1.2
71.01244	10.9
71.09516	1.0
73.02824	2.7
81.03341	2.3
83.01263	1.9
85.02827	4.9
95.01302	1.2
99.04397	83.7
99.34042	1.1
100.04737	3.5
101.02325	21.6
108.98680	1.3
113.02325	4.6
125.02337	36.2
126.02691	1.4
134.03651	2.6
135.02876	2.5
161.04518	5.8
193.04961	3.6
237.36691	1.1
263.67850	1.3
269.10312	12.2
270.10556	1.3
281.13831	1.9
413.14444	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39157	0.6
55.36703	0.6
59.01249	100.0
60.01581	0.9
71.01254	6.2
71.57376	0.7
73.02814	1.3
75.00751	3.6
83.01257	0.8
83.99319	0.6
84.27433	0.6
85.02808	5.8
87.00758	1.7
89.02307	1.5
93.03344	1.5
95.01302	0.7
99.00779	2.3
101.02340	1.8
106.04132	1.1
113.02325	6.8
117.01858	0.9
119.04900	8.1
125.02354	2.6
130.04163	1.9
131.04916	7.4
131.64539	0.6
137.02344	1.6
145.02873	3.5
147.08067	6.6
149.05991	7.5
161.04468	4.2
163.03922	6.2
167.03419	0.8
191.07089	2.6
249.06065	4.5
267.07196	19.0
267.09998	1.2
281.13876	0.8
400.51102	0.6
413.10596	6.2
414.11066	0.8
423.30273	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22573	0.2
55.26809	0.2
59.01251	1.9
65.00201	0.8
69.03377	0.3
70.96410	0.2
71.01254	1.0
73.02819	0.2
75.00755	0.9
77.68064	0.2
79.77686	0.2
80.02557	0.2
81.03333	6.6
83.01245	1.0
85.02829	0.6
87.00775	0.2
87.53947	0.2
93.03354	0.3
95.01332	0.2
95.04920	0.5
97.02844	0.8
99.00774	0.3
99.08021	1.4
101.05975	0.9
107.01263	0.2
107.04880	0.2
108.02096	0.2
109.02883	0.4
111.00929	0.2
113.02303	0.3
116.22342	0.2
121.02868	0.5
122.03620	0.2
123.00811	0.3
123.04399	0.2
123.08054	2.8
124.01558	0.3
125.02345	5.3
125.05980	6.5
127.07565	0.5
130.28767	0.2
136.05231	1.0
137.02348	0.3
137.05998	0.3
139.03963	0.2
141.09093	0.9
147.08105	1.0
149.02382	1.0
151.00302	1.1
152.01004	0.9
165.09132	37.5
166.09468	1.6
167.07094	0.4
175.00301	0.6
177.09079	0.2
179.07080	0.7
179.10658	0.2
181.08687	0.2
191.07059	1.4
193.08644	1.3
198.99271	0.3
205.08694	1.1
207.10045	0.3
208.07390	0.4
209.08142	100.0
210.08478	5.0
215.07051	1.0
221.08124	0.8
222.08864	0.6
223.09764	2.5
233.08160	20.6
234.08519	1.4
235.09587	0.3
251.09229	11.0
252.09599	0.6
263.09244	3.2
264.09665	0.2
275.09387	0.3
281.09988	0.3
335.11356	0.3
395.13504	0.4
413.14566	5.1
413.20285	0.4
413.71408	0.4
414.14969	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81612	1.2
55.01763	1.9
57.03335	9.9
59.01251	94.2
60.01602	1.7
65.03839	1.8
68.05148	1.4
68.99680	1.5
69.03329	2.9
69.96947	8.3
70.78087	1.3
71.01260	21.2
72.99187	5.9
73.02831	3.5
75.00751	13.4
83.04886	7.7
85.02826	21.7
87.00754	16.3
89.02323	7.2
93.03357	2.0
95.01281	4.5
97.02788	1.5
98.19803	1.8
99.00744	7.7
99.04398	1.6
101.02328	2.3
103.00282	1.7
104.73946	1.3
106.04116	2.1
109.02822	2.8
111.04421	6.7
111.08028	3.0
112.51717	1.6
113.02335	25.7
114.22556	1.3
115.00263	2.1
117.01833	3.2
117.03358	3.4
117.97102	1.4
119.04921	35.7
121.06475	3.7
123.08057	22.1
124.05222	1.9
125.02370	2.3
129.01854	2.3
131.03450	1.5
137.09610	3.1
139.07530	2.3
145.02896	15.4
145.10153	2.3
147.08041	13.5
151.07593	3.2
153.09175	2.9
161.04489	7.1
163.03928	29.7
169.08704	3.3
169.10056	3.3
171.11707	25.0
185.09598	1.9
189.12769	7.7
191.07042	5.4
201.12794	6.3
207.13870	5.0
219.14108	1.4
237.07698	2.4
237.14925	24.8
249.06097	17.0
267.07211	74.7
268.07520	2.7
274.86523	1.6
281.13947	100.0
282.14313	6.3
309.13486	1.5
362.34698	1.3
413.10776	23.4
413.18082	3.5
414.11069	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	413.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26600	7.5
57.03323	14.1
59.01250	72.7
69.80631	9.4
69.92627	18.9
69.93034	41.9
71.01250	18.7
74.01468	8.2
78.95766	55.6
85.02832	9.2
99.04418	12.7
101.02312	18.0
113.02314	14.8
119.03402	8.9
143.52214	9.2
149.05994	25.8
152.43878	8.3
152.99503	100.0
165.09109	24.4
172.43849	8.0
185.58002	8.7
192.01251	8.8
195.86348	8.4
249.44853	10.1
309.13489	40.1
327.14563	22.6
381.13223	12.7
398.44507	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	413.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.6
56.19189	0.5
57.03327	3.0
57.97043	0.6
58.00455	0.7
59.01248	12.9
67.08416	0.5
68.99677	1.1
69.03336	1.1
69.78767	2.6
71.01254	17.9
72.99184	3.8
73.02818	1.2
75.00745	11.4
79.68554	0.6
83.01286	0.9
85.02823	21.3
86.03121	0.7
87.00755	7.1
89.02316	5.0
91.03860	0.8
93.03326	1.2
95.01260	4.0
99.00761	7.9
103.00251	1.7
113.02334	24.1
115.00243	0.9
115.65199	0.5
116.33034	0.6
117.01839	2.6
117.03339	3.1
119.04916	32.6
120.05244	1.3
125.02271	0.7
129.01859	2.0
130.40678	0.6
137.02432	0.6
145.02847	17.0
163.03923	30.7
164.04266	1.6
175.02454	1.5
207.05113	1.3
231.05019	1.4
237.07617	3.5
237.14886	1.2
249.06143	22.6
250.06390	1.1
267.07211	100.0
268.07474	4.4
281.13913	3.1
282.14401	0.7
294.89465	0.6
351.10724	1.3
387.14841	0.6
413.10873	39.7
414.11148	4.7
434.17389	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	4.9
57.90460	1.7
59.01258	32.8
69.33018	3.2
69.33425	15.3
71.01258	36.3
72.99181	5.3
73.02866	2.3
75.00739	13.6
77.49400	1.8
80.10500	2.0
82.02860	2.0
84.04418	2.2
85.02833	26.1
87.00736	8.9
89.02328	8.2
93.03364	1.9
95.01263	4.9
99.00797	12.3
103.00265	3.7
109.02866	2.2
110.25533	1.9
111.00784	2.5
113.01616	2.7
113.02349	30.6
113.14694	1.7
115.00272	25.8
117.01837	2.5
117.03320	3.3
119.04919	43.7
121.02827	1.7
123.08107	2.9
125.02338	3.1
129.01791	2.4
132.03017	2.0
137.02272	2.9
139.08734	1.7
145.02841	13.9
149.02336	5.3
161.04433	2.3
163.03925	42.3
163.05202	3.5
164.04706	7.8
177.01917	2.1
179.07065	7.9
191.07063	2.5
192.02948	6.8
205.03767	6.6
207.05231	18.6
209.00769	2.4
210.07895	1.7
220.06213	8.7
222.07697	38.0
222.11166	4.2
234.07719	5.5
235.08391	4.1
237.07672	3.0
237.14891	5.7
248.09261	6.0
249.06143	26.2
250.10808	4.4
267.07236	100.0
281.13889	19.8
293.09106	2.6
296.11423	9.7
297.09821	24.2
350.12527	5.1
368.13504	45.0
369.13965	4.0
392.13873	2.0
412.12515	58.3
413.10834	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	413.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04162	0.4
57.03326	4.2
57.23054	0.4
59.01255	8.7
63.02266	10.5
65.00190	7.2
66.22594	0.4
69.50442	1.0
69.50847	3.3
71.01246	0.5
73.02828	0.7
79.99287	0.4
83.01256	7.9
85.02818	0.7
90.19254	0.5
98.19798	0.9
107.01269	15.6
110.25446	0.4
113.02272	0.5
124.01591	0.5
125.02338	17.9
131.04909	1.9
133.02893	0.5
137.02316	0.8
147.04433	0.9
149.02299	0.7
149.06030	0.7
151.00270	37.7
152.00777	1.9
159.04399	5.6
159.15247	0.5
161.02353	1.1
161.05943	0.5
167.03339	0.5
169.01324	14.4
170.01674	0.7
175.03900	2.2
177.01723	0.6
178.99776	100.0
180.00137	3.9
185.02357	0.9
185.06081	0.5
187.03931	28.6
188.04466	1.5
189.01886	0.8
189.05556	0.9
194.05818	3.1
203.03456	1.5
204.04257	1.0
204.87152	0.5
205.05020	7.2
206.05319	0.6
207.02936	4.4
209.08179	3.6
213.01877	1.0
215.03416	7.8
216.03825	0.5
231.02905	1.5
232.03786	0.5
233.04506	35.7
234.04816	2.8
241.01538	0.7
257.04538	0.6
259.02448	6.8
277.05118	0.5
281.04861	0.5
287.01984	13.1
288.02216	1.0
351.05106	0.6
376.13632	0.5
377.02939	1.1
385.05588	1.7
395.04263	0.7
412.69385	0.5
413.05560	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	11.6
61.98703	2.5
70.70186	2.2
70.70529	3.7
71.01249	2.9
72.99189	4.7
75.00747	58.0
89.02324	6.0
99.04343	1.5
117.01798	1.9
121.10125	19.4
135.02884	63.5
136.03236	1.9
136.55292	1.6
171.10184	46.6
188.32852	1.5
231.21152	3.6
242.77312	1.9
275.20154	100.0
276.20450	8.3
293.21222	75.9
294.21527	7.3
351.09235	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
67.19534	9.0
78.95792	53.1
80.96192	18.5
98.19785	28.9
124.36481	9.9
152.99469	55.2
153.99806	20.9
154.99901	39.0
225.86650	9.8
240.75996	8.3
252.44472	9.0
301.97931	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	411.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
64.79829	7.4
69.70412	42.8
78.95789	17.6
91.42818	7.1
94.62102	7.1
120.55824	6.8
135.35898	6.4
148.65726	7.7
152.99487	18.3
153.99802	8.8
154.99915	10.1
314.88409	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	411.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	5.7
61.98697	5.1
62.38908	1.2
65.80379	1.3
70.85983	1.2
70.86884	1.3
70.87215	3.6
99.08032	6.0
99.92426	2.6
125.09624	2.2
127.11163	2.7
128.64871	1.4
129.30220	1.3
139.11205	6.8
155.14258	1.1
163.11157	3.3
165.12761	19.5
166.13220	1.6
167.10631	1.5
171.10172	12.7
177.68257	1.3
183.13864	3.7
191.06900	1.3
191.58902	1.2
193.08398	28.5
193.12178	3.5
199.46788	1.4
203.10500	1.8
205.12030	3.4
209.08037	2.1
209.11757	1.9
211.13303	24.0
212.13708	2.2
219.10139	2.0
221.11549	8.9
229.14456	11.5
231.09949	10.3
233.11552	100.0
234.11877	5.4
249.11226	15.7
250.11353	1.4
251.12569	37.2
252.11330	2.0
293.21304	1.6
329.23312	59.5
330.23703	5.0
351.21487	61.8
352.21555	5.5
395.20599	1.6
411.22720	2.1
425.82013	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58818	2.5
59.01255	11.6
71.01230	2.5
74.63149	2.3
78.95782	2.9
91.08331	2.5
91.73501	2.1
95.25999	2.7
99.08031	6.0
127.07569	2.7
129.09094	10.9
130.35458	2.7
142.10286	2.3
153.12737	6.6
165.12750	3.4
169.12242	10.5
173.07961	2.6
181.12224	7.8
199.13353	16.3
211.13300	6.9
219.09982	23.8
221.11537	40.1
222.11989	2.8
233.11574	37.6
235.09438	8.7
237.09712	3.0
249.11107	23.1
251.11269	3.2
265.10498	10.8
315.19446	7.0
329.17493	3.9
329.23325	51.4
330.23566	5.0
333.19205	15.9
334.19370	3.9
351.21463	100.0
352.21710	10.5
367.23297	6.8
411.22675	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	411.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	8.2
61.98697	9.8
67.58232	2.6
69.03347	3.0
71.01236	4.9
71.57744	3.1
78.95774	3.8
82.46401	2.5
93.35567	2.9
99.08025	4.8
129.09094	6.1
153.12718	4.5
165.12790	4.2
169.12189	5.7
172.55812	3.5
177.22565	2.8
181.12277	4.4
197.11810	3.4
199.13290	8.9
211.13264	7.5
219.09990	20.5
221.11539	28.2
233.11581	29.4
235.09695	3.1
249.10976	12.7
252.08366	2.8
262.66391	3.0
265.10632	6.1
272.83417	3.0
309.24869	2.6
315.19327	18.1
316.19608	3.4
329.23282	49.5
330.23648	3.3
333.19247	12.9
351.21423	100.0
352.21658	8.9
369.47983	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	411.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33845	0.8
57.03318	1.2
58.64956	0.8
59.01254	100.0
60.01585	1.0
70.95033	0.9
71.01260	14.4
72.99195	1.3
73.02828	7.9
75.00756	1.6
83.01278	3.1
85.02839	4.7
87.00739	1.4
89.02322	8.0
101.02322	11.5
110.44676	0.8
111.00759	0.8
113.02332	7.7
116.75013	0.9
119.03388	3.0
121.06458	0.8
122.79774	0.9
123.04374	1.2
125.02339	1.1
131.03438	1.2
134.03653	1.2
135.04410	1.4
137.02396	1.3
137.09657	2.6
147.04405	3.1
161.04440	1.4
231.13951	1.0
263.07663	1.0
294.80380	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03075	0.6
57.26838	0.5
59.01255	3.1
70.97183	1.6
71.01255	2.0
71.53039	0.6
73.02804	3.4
78.25780	0.5
78.95776	69.5
83.09554	0.5
93.58277	0.6
96.96852	5.0
103.03890	1.1
119.16173	0.6
131.03400	5.0
150.97957	1.7
152.99493	97.4
153.99844	1.5
171.00546	2.3
203.28601	0.6
209.92247	0.7
239.53539	0.5
241.21716	2.4
255.23268	2.0
277.21722	100.0
278.22086	10.7
409.23517	10.3
410.23846	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.2
59.01252	100.0
60.01597	1.2
61.98697	1.0
68.90067	0.9
69.03318	1.0
71.01258	21.3
71.59898	1.4
72.99190	2.4
73.02821	15.9
83.01259	4.8
85.02827	5.2
87.00739	1.3
89.02317	6.0
94.15924	1.0
95.01267	1.9
99.00699	1.1
101.02330	14.1
108.49531	1.0
109.02832	1.9
113.02335	9.6
119.03394	2.0
123.04351	1.9
125.02362	5.1
131.03397	1.7
137.02347	2.6
137.09590	3.9
146.31146	0.9
149.02380	1.1
161.02243	1.0
161.04485	3.1
169.01324	2.8
177.05475	1.1
189.12828	1.1
191.46994	1.0
203.03468	1.2
205.05013	2.2
267.06677	1.4
291.10693	3.0
297.11252	1.4
354.71140	0.9
355.07864	1.5
359.09641	2.3
411.15176	4.6
412.10278	6.7
430.04443	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94429	2.8
57.03318	3.9
59.01244	10.1
64.27932	2.2
71.01250	5.8
74.45411	3.1
78.95770	3.3
79.95589	3.6
83.04897	3.3
85.02828	6.4
89.14902	2.3
96.95895	10.5
97.02841	8.4
97.06458	3.8
98.20042	18.5
99.92437	3.6
121.02941	2.5
137.09569	5.1
142.56400	2.4
153.12764	3.1
163.11194	4.1
165.12770	18.7
168.28287	2.7
171.10207	14.7
174.16493	2.6
183.13774	3.8
193.08382	16.7
203.10558	2.5
205.12064	4.2
207.09946	14.7
211.13362	9.9
219.10004	3.2
221.11676	5.5
229.14384	8.6
231.10085	13.6
233.11555	100.0
234.11946	5.1
247.09561	3.9
249.10915	11.2
251.11038	44.3
252.11497	4.0
261.11118	22.3
313.17914	4.7
327.21802	45.9
328.22324	4.8
331.18976	12.2
335.32870	2.4
349.19919	91.1
350.19928	6.0
353.58627	2.4
365.06183	3.2
366.84100	2.5
409.19495	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	409.236
Annotation	1-Palmitoylglycerol 3-phosphate
Peak:m/z	Relative Intensity
55.67107	0.3
56.44425	0.3
66.01706	0.3
70.33006	1.1
78.95776	65.0
88.44249	0.3
96.96837	5.7
98.19853	0.4
101.63860	0.3
110.98407	1.1
142.90005	0.3
147.37637	0.3
150.97926	1.5
152.99490	100.0
153.99815	1.7
167.01031	1.8
171.00591	3.5
185.02234	0.4
241.21695	14.0
242.22050	1.0
255.23273	2.0
275.44275	0.3
388.50723	0.4
409.23593	10.5
410.23898	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.236
Annotation	1-Palmitoylglycerol 3-phosphate
Peak:m/z	Relative Intensity
50.35276	0.3
65.01633	0.2
69.39316	2.4
78.95778	72.4
88.45303	0.3
96.96848	5.4
98.20524	0.4
107.03123	0.2
127.28767	0.2
150.97952	1.6
152.99492	100.0
153.99831	1.8
166.71397	0.2
171.00552	2.4
212.95314	0.3
255.23303	2.2
300.45410	0.3
306.49350	0.3
404.77136	0.3
409.23587	10.9
410.23926	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42380	0.4
59.01251	100.0
60.01582	1.5
63.32575	0.4
66.63019	0.4
71.01257	0.9
71.30147	0.4
71.57586	0.5
71.58035	0.5
73.02843	0.4
82.84027	0.4
85.02849	0.5
87.10381	0.4
101.02319	0.8
103.80350	0.4
113.02380	0.5
172.03554	0.4
178.26787	0.4
186.33736	0.4
206.81444	0.4
213.36281	0.4
302.11435	0.5
307.17706	1.2
373.65234	0.4
409.20660	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	11.6
59.01253	13.6
61.98692	4.0
63.46230	4.3
71.57734	5.8
73.21339	4.0
78.95782	10.8
79.06859	4.2
96.95908	5.2
111.08064	11.5
122.52792	4.0
130.04074	4.9
133.02853	5.5
136.73085	4.1
152.99422	7.3
161.02353	55.3
163.07449	4.8
169.12344	5.8
176.04747	4.1
177.01959	4.4
197.11760	19.8
211.13226	4.4
217.04933	4.6
219.09967	66.1
221.11572	9.1
237.09732	3.9
239.16556	9.5
245.11462	6.7
249.11034	11.1
251.12561	4.7
261.14703	100.0
262.15002	6.5
279.11407	4.1
280.72397	3.8
313.17831	12.4
327.21765	43.9
328.22205	6.5
331.18918	20.4
332.87109	5.2
337.07187	6.8
349.19693	92.8
350.19449	6.0
379.08276	11.5
394.10391	8.9
409.12860	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0928
Annotation	Aklaviketone
Peak:m/z	Relative Intensity
50.55626	2.4
51.72175	2.3
59.01252	12.1
65.00210	3.2
75.00745	7.2
78.95798	4.5
83.01234	3.2
96.95837	3.8
125.09618	3.0
152.99472	6.2
219.08122	3.5
221.06076	4.2
225.05516	15.2
234.03102	2.9
247.07401	2.8
248.04820	6.0
249.05420	4.7
251.03506	12.5
261.05338	3.5
261.09088	2.8
262.06302	4.2
263.07065	7.1
265.07956	4.6
267.06531	8.2
267.09186	6.7
268.03763	11.7
273.05502	5.2
276.04129	4.7
277.08698	4.6
289.05118	9.9
289.08694	6.4
290.05811	8.4
291.06674	22.0
292.03683	15.2
293.04550	14.2
294.05280	7.2
295.08603	8.5
304.03769	8.2
305.04797	4.1
305.08163	26.0
306.08817	3.4
309.07394	60.4
309.10397	19.0
310.07993	4.2
311.22308	6.4
317.04373	7.7
318.05310	11.1
331.05722	3.8
332.06976	2.9
333.04047	4.5
333.07675	100.0
334.08121	9.4
335.05438	7.2
347.09143	5.9
349.07056	2.9
365.10315	56.8
366.10651	6.1
377.06668	65.2
378.07022	10.3
409.09351	56.8
409.18896	7.7
410.09668	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	409.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	15.2
69.55663	16.6
71.01266	13.5
72.32462	1.9
72.99171	6.2
75.00744	13.0
85.02832	15.4
86.03125	1.9
87.00746	5.0
89.02319	4.2
95.01259	3.5
95.04890	12.1
97.05878	3.4
97.06476	61.0
99.00751	12.3
99.35618	2.0
107.04878	2.2
113.02343	13.5
115.00227	2.5
115.07526	7.7
129.01808	2.2
134.03592	3.0
135.04387	7.7
138.37778	2.0
141.05504	2.5
159.06551	42.6
165.01793	3.7
165.05524	2.9
175.02469	2.2
177.01859	2.0
191.03458	2.4
195.06604	4.0
205.01389	2.5
233.10304	11.4
247.02345	2.5
249.06081	12.0
267.07074	4.9
272.81287	1.8
359.71112	2.0
361.12985	3.3
391.12469	3.9
409.07874	8.4
409.13443	100.0
410.14050	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	409.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
61.98697	17.0
68.05651	7.6
71.01249	41.4
71.59221	8.3
73.02818	13.4
73.23906	8.0
75.55642	7.8
78.95796	9.9
83.01289	11.8
85.02805	24.9
87.00758	11.5
89.02316	13.1
99.00693	9.2
101.02327	25.5
106.04128	15.3
109.02835	11.4
113.02337	19.1
114.69233	9.2
119.04940	9.8
125.02390	14.7
131.03432	7.7
134.03627	13.6
135.04405	11.7
155.83861	9.3
161.02347	11.2
161.04433	11.8
161.09616	26.2
162.03152	11.0
176.26500	10.1
205.04599	7.7
205.08617	32.1
229.12358	9.3
231.10109	11.7
244.89046	10.3
275.09277	10.2
277.09814	29.2
277.16592	24.8
289.07138	10.0
309.57831	8.3
371.16165	8.7
409.09409	10.3
409.20200	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52999	0.5
59.01252	100.0
60.01582	0.9
70.25631	1.3
84.59454	0.4
98.19808	0.7
98.20351	0.8
107.18222	0.4
112.95920	0.4
152.44215	0.4
239.03537	0.6
282.05289	0.8
297.07648	1.3
304.72119	0.5
321.26837	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34587	6.4
55.01752	7.4
57.03316	13.1
59.01252	73.9
60.01579	6.7
65.00195	14.7
65.99714	34.9
68.55486	5.6
68.99683	12.1
69.03336	9.7
70.76659	22.7
71.01253	56.0
72.99164	8.3
73.02841	16.2
74.26294	6.1
81.03309	9.1
83.01244	19.5
85.02809	23.2
88.98675	65.0
89.02311	13.7
93.03318	10.4
95.01261	34.1
95.04938	6.9
96.00788	7.5
96.99181	8.3
97.02811	11.8
99.00777	58.4
101.02317	22.6
107.01243	7.2
109.02821	36.7
110.02326	10.2
111.00759	66.6
113.02331	18.6
121.02849	17.4
123.00760	41.7
123.04397	17.3
124.01546	12.9
125.02336	64.9
127.00234	20.8
136.98721	8.5
137.02364	45.1
139.00273	91.0
139.03935	8.6
140.00992	13.4
141.01833	65.9
147.04477	6.8
148.03905	11.4
149.02364	17.1
150.01837	12.8
151.00302	44.0
151.03893	9.8
152.01060	10.6
152.03381	9.1
153.01846	92.6
154.99796	68.9
157.01344	36.2
161.02347	14.6
162.01912	16.1
163.00284	12.6
163.03873	9.1
164.03448	18.1
165.01840	34.7
166.99800	54.2
167.03400	20.1
168.00516	26.8
169.01369	41.1
172.54143	6.3
173.48898	6.5
175.03967	8.1
176.03461	16.0
177.01822	24.8
177.05403	7.4
178.01387	32.1
178.99799	46.0
179.03448	15.8
179.05370	6.4
180.00365	10.9
180.02911	18.8
181.01350	34.5
182.99283	8.4
183.02870	7.7
185.00836	7.5
187.03841	8.2
189.01848	9.6
191.03453	12.5
192.02910	23.6
193.01308	35.4
194.04454	7.2
194.99281	100.0
196.02411	8.6
197.00890	53.4
198.04004	10.3
199.02383	13.2
204.03011	18.3
205.01372	11.2
206.04375	6.7
207.02972	11.8
208.02472	10.7
209.00842	23.5
210.98851	13.3
211.02454	17.6
213.00327	24.1
215.03613	11.5
216.02934	11.0
218.00905	11.5
220.02472	16.1
222.03920	12.3
223.02356	12.9
232.02509	19.6
236.01877	15.6
245.17683	16.0
248.02025	15.4
250.03566	38.0
259.02362	9.6
287.01645	9.7
328.04797	7.2
332.01559	8.7
354.02496	10.5
372.03647	10.4
390.04645	43.1
407.22955	12.1
408.05478	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72128	0.8
54.01136	0.8
59.01252	100.0
60.01569	2.2
71.01250	7.5
71.04877	2.4
71.57948	1.5
72.99166	1.3
73.02828	2.7
75.00748	2.6
83.01254	1.0
85.02822	3.4
85.15781	0.8
89.02316	2.5
90.78661	0.7
92.69157	0.8
96.95880	0.8
99.00792	1.0
101.02346	5.4
102.05501	2.1
111.83014	0.9
113.02330	2.9
120.69025	0.8
121.02885	1.2
122.03600	1.5
124.01537	0.9
125.02329	6.5
128.03429	5.9
146.04475	1.4
149.02295	1.3
150.03134	1.0
151.03958	1.2
161.04494	2.0
164.04735	1.2
165.01849	1.6
165.05460	1.2
167.03458	0.9
168.00633	1.5
169.01326	6.9
179.03313	1.2
180.04120	1.1
195.06529	2.1
197.57524	0.8
209.04504	1.7
222.56659	1.0
227.12794	1.3
305.16125	2.7
347.17075	2.2
407.19235	3.0
408.19974	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2205
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
58.51912	0.5
58.68947	0.5
59.01229	0.7
70.33521	1.5
78.95779	100.0
93.19046	0.5
96.95895	0.5
96.96843	9.8
150.97949	1.7
152.99495	87.3
153.99828	1.6
161.30707	0.5
171.00562	57.6
172.00934	0.6
233.44910	0.5
256.53406	0.5
276.89081	0.4
304.80621	0.5
325.18274	0.7
407.21997	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	1.3
56.61479	1.3
57.03332	1.8
57.18426	0.9
58.00494	1.2
59.01255	100.0
60.01602	1.3
64.64502	1.1
71.01256	15.5
71.59698	1.6
72.99182	10.9
73.02832	3.7
75.00748	3.5
76.98191	1.1
82.02880	1.9
83.01284	2.3
85.02834	8.6
87.00763	18.3
87.17790	1.2
89.02351	7.7
95.08859	1.0
96.20736	0.9
99.00784	3.7
101.02333	12.9
102.29966	1.1
103.00275	3.5
111.00683	1.1
112.98714	2.2
113.02341	8.7
119.03395	2.7
125.02338	3.8
134.03746	1.1
137.02368	2.0
139.00331	1.0
142.46187	1.0
144.17189	1.0
149.00844	82.8
150.01111	1.7
157.08629	7.3
159.04391	1.2
161.04491	7.0
165.01813	1.4
169.01357	1.7
171.10184	2.7
172.05244	3.9
173.06007	3.5
174.06819	3.6
175.07497	2.2
183.44397	1.1
185.11871	1.4
187.03979	2.0
187.07594	16.1
202.06351	5.5
203.06816	1.3
203.10730	2.9
213.09178	6.9
215.07195	1.9
227.12865	1.4
231.07973	2.6
231.10239	17.8
232.10680	2.2
243.04147	3.3
244.04962	2.1
244.09752	1.6
245.09398	1.1
245.14194	1.2
249.06139	3.5
257.05597	3.8
259.07278	8.3
259.10828	1.9
267.07184	1.4
271.07318	3.6
275.09277	26.0
276.09674	2.9
287.10413	13.5
291.09866	2.6
305.16071	1.5
313.08334	18.0
314.08609	1.9
331.09344	10.9
345.11081	1.7
347.17081	14.3
348.17606	1.8
375.08331	3.0
384.61227	1.1
405.85483	1.1
407.10727	5.6
407.15479	6.3
407.19702	2.0
408.11456	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01574	1.0
69.04184	0.5
69.56361	5.0
71.01239	2.7
72.09627	0.5
73.02821	1.8
83.01244	0.8
85.02834	1.3
89.02338	0.8
98.20502	1.3
101.02337	2.2
113.02316	1.1
116.04973	1.9
118.18078	0.6
123.04430	1.2
132.97722	0.5
143.10745	0.7
161.04462	1.4
186.05556	3.3
245.04710	0.7
245.08244	1.2
274.89993	0.7
305.16251	2.4
347.17142	0.9
359.14890	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01586	1.4
69.88419	2.9
71.01251	2.9
73.02811	0.9
75.00742	1.2
85.02821	1.1
89.02319	2.0
91.02731	0.6
95.01254	0.7
98.19859	0.7
99.00738	0.6
101.02337	1.7
113.02341	1.2
119.03374	0.5
125.02338	0.9
125.09597	1.2
143.10727	0.9
150.03137	1.1
161.04469	0.6
165.05521	1.1
171.10222	0.7
180.04250	0.7
181.12318	1.1
182.02107	0.7
183.12993	0.7
191.99422	0.5
195.06551	0.9
225.11374	1.3
226.11613	0.8
227.11826	1.5
240.04866	0.5
279.58972	0.7
305.16129	1.1
347.17392	0.5
377.10623	0.5
404.90097	0.5
407.18936	1.6
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
58.00480	1.4
58.02839	1.2
59.01249	100.0
60.01587	1.4
61.87048	0.9
69.03329	1.1
70.21119	1.2
70.21459	4.8
71.01247	17.4
71.98905	1.0
72.99166	2.0
73.02820	7.1
74.02357	2.4
81.03333	1.2
83.01255	2.4
85.02831	4.2
87.00745	2.6
89.02319	11.9
93.03260	0.9
97.02839	1.4
98.20507	1.2
99.00769	2.4
99.04379	1.4
101.02323	13.4
109.06456	1.6
113.02328	7.5
115.07478	2.0
119.03426	7.0
123.04401	1.2
128.03438	4.2
129.03751	1.1
136.38811	1.0
139.07556	4.2
143.04533	4.6
144.04855	2.8
161.04453	8.3
179.05573	1.6
180.04915	1.0
185.11765	6.3
203.12854	1.4
211.08961	1.3
225.48251	1.1
244.43971	1.0
254.07755	2.6
255.02872	1.2
255.07938	1.2
269.13873	1.3
273.09164	2.3
289.98672	1.0
346.08682	1.1
347.17154	5.4
365.17657	1.2
407.07550	2.7
407.16510	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	407.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.7
57.03320	0.9
59.01250	100.0
61.51742	0.8
64.39828	0.7
71.01251	13.4
71.57465	0.8
72.99198	1.3
73.02821	4.6
74.65610	0.6
78.84873	0.7
83.01258	2.8
84.58221	0.7
85.02814	5.8
87.00747	0.6
89.02298	4.9
99.00768	1.7
101.02315	12.3
113.02323	4.9
119.03434	1.8
143.03474	1.1
147.11777	0.8
159.02884	1.3
161.04456	5.6
190.96144	0.7
199.07684	0.7
209.15466	1.0
210.70108	0.6
225.15005	2.0
245.17569	14.5
245.20151	0.8
347.17145	1.9
407.07971	1.6
407.18939	1.0
407.23129	9.3
408.23303	1.4
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
57.03319	1.0
59.01252	100.0
68.58989	0.6
71.01250	13.7
71.27240	0.9
71.27558	0.8
72.99200	0.9
73.02819	2.5
79.86340	0.8
83.01245	1.3
85.02830	3.6
87.00764	2.3
89.02324	8.7
95.01258	1.1
99.00762	6.8
100.05033	0.8
101.02336	8.0
109.06474	6.8
113.02367	5.0
119.03384	5.0
121.06447	0.8
128.03436	1.9
129.03773	0.8
137.05968	0.9
139.07523	2.8
143.03445	1.3
143.04538	2.8
144.04887	0.7
150.03107	1.6
151.03929	1.4
154.15079	0.7
159.02875	1.7
161.04453	11.2
165.05530	1.4
178.04715	1.8
210.08778	0.9
254.07957	0.9
255.08211	1.5
272.08667	0.9
347.17041	4.7
407.17679	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	8.7
69.58969	2.2
69.59375	4.5
71.01263	1.6
77.82767	1.0
81.03349	1.8
83.01250	1.7
87.00755	5.1
87.04348	1.4
101.02351	1.1
103.00269	1.5
112.98682	4.6
123.07967	1.2
125.02324	5.0
125.05928	2.5
133.02834	2.9
134.03647	12.2
135.04388	4.4
149.00809	1.4
161.02370	2.9
162.03133	9.5
165.09131	17.8
166.09407	1.4
177.01828	1.4
178.02573	3.0
183.94856	1.2
209.08138	100.0
210.08493	3.9
251.09377	1.7
275.09235	29.5
276.09552	1.7
317.55930	1.1
371.13495	9.5
407.11087	1.2
407.15839	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21463	1.4
59.01252	100.0
60.36314	1.5
65.99723	1.8
71.01247	10.4
71.08022	3.8
72.44497	1.4
72.78815	1.4
72.99184	3.3
73.02831	2.9
79.69472	1.4
82.02876	7.7
83.01260	2.2
83.62749	1.3
85.02845	5.7
87.00753	5.5
89.02340	4.8
99.92464	1.8
100.76514	1.5
101.02325	7.1
113.02334	5.9
115.91981	1.8
116.92726	4.2
119.03391	2.9
125.02354	2.2
138.06599	1.3
149.00800	15.5
159.04376	2.1
160.07657	1.5
161.04468	5.6
164.03445	5.8
172.07573	1.5
179.03395	3.0
187.07541	7.4
194.04486	1.8
202.06313	2.1
202.08626	2.5
215.04475	2.7
215.06989	1.6
216.05150	3.0
216.06924	1.7
217.02509	4.3
217.06180	7.2
229.06198	4.9
230.03419	2.8
230.06857	3.3
231.07706	8.7
231.10184	5.0
232.08493	4.0
241.06215	2.9
242.03310	3.1
243.04065	19.2
243.07729	3.6
244.04776	8.8
244.09825	7.1
245.09283	5.0
248.09254	2.4
256.04791	5.6
257.05661	12.8
258.06479	5.6
259.07236	32.4
259.10934	4.6
269.09329	2.0
271.07233	15.7
275.09232	13.3
285.08810	2.9
287.10355	56.2
288.08771	6.6
291.09729	7.6
298.05865	2.4
303.09756	2.1
310.43210	1.6
313.08304	68.3
314.08673	6.3
317.07413	1.6
331.09357	39.2
331.13297	2.0
345.10938	6.1
347.20844	5.9
375.08344	12.8
389.09793	2.4
407.06076	3.1
407.10938	35.2
407.19003	11.6
408.11227	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	407.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10173	0.5
55.01769	0.5
57.03325	29.8
57.88729	0.5
59.01249	24.2
69.03330	0.6
69.46918	3.9
71.01263	4.2
73.02818	2.7
75.00710	0.5
81.03324	3.2
83.01263	1.5
85.02808	2.5
89.02304	0.8
99.00763	0.9
99.04396	21.3
99.08038	0.7
101.02322	9.0
101.05984	0.6
107.01298	0.8
113.02316	2.2
123.08041	1.5
125.02336	10.1
125.05944	3.0
136.05275	0.5
137.02356	1.0
141.09036	0.6
147.08070	0.8
151.00278	1.4
161.04482	2.1
165.09131	18.0
166.09503	1.3
176.49377	0.5
178.93887	0.7
191.07144	1.5
209.08144	100.0
210.08461	6.1
228.92555	0.5
232.73676	0.5
251.09261	0.5
263.14975	8.2
264.15402	0.7
371.13434	8.9
372.13751	0.8
376.38574	0.5
407.19104	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55376	1.8
59.01256	47.4
71.01262	14.7
71.59557	2.6
72.99193	6.2
73.02831	2.8
75.00712	1.9
82.02856	12.0
83.01246	4.2
83.16956	1.6
85.02824	5.3
87.00763	10.6
89.02309	5.4
99.00749	2.5
101.02332	7.4
101.49091	1.7
112.98736	1.9
113.02344	7.0
119.03448	2.6
123.35252	1.8
123.85170	1.7
136.03908	1.7
149.00827	35.6
152.01106	1.9
160.03972	2.9
160.07567	3.2
161.04523	4.4
161.05797	2.3
162.04222	1.9
164.03458	8.2
165.01947	2.2
166.02586	5.2
172.07623	2.8
173.05986	3.7
174.05484	3.7
175.07491	1.9
179.03409	9.4
179.05534	4.6
181.04945	2.6
187.07599	11.8
188.07124	3.8
191.04544	2.3
201.03044	4.0
202.06323	4.3
202.08611	4.0
213.09125	4.2
215.04616	4.3
215.06905	3.9
216.05336	6.4
216.06978	3.2
216.10214	2.4
217.02597	6.6
217.06122	11.0
218.06767	2.2
228.06773	3.6
229.06079	12.4
230.03287	2.8
230.06946	4.3
231.07684	15.2
231.10258	10.0
232.08446	6.0
241.06226	3.5
242.03354	4.8
243.04074	25.0
243.07822	3.1
244.04782	8.6
244.09865	16.0
245.09300	7.1
248.09225	2.9
254.06996	2.7
255.03346	2.0
256.04810	7.2
257.05756	14.5
257.08145	2.4
258.06287	6.2
259.07224	49.6
259.10895	5.3
260.07422	2.8
269.09338	2.3
270.06665	3.1
271.07178	21.0
272.07562	3.2
275.09274	24.3
276.09628	2.9
285.08923	3.8
287.10376	78.4
288.08694	7.3
291.09753	10.3
296.14722	1.9
297.05045	2.1
313.08307	100.0
314.08578	9.7
317.07938	2.0
331.09357	63.9
332.09653	5.8
335.08765	3.7
345.10944	8.3
347.16980	10.9
357.07260	2.9
375.08362	21.5
389.10007	2.7
407.06003	3.4
407.11005	51.8
407.19318	7.7
408.11310	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	407.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	19.6
71.01257	2.4
72.99185	1.9
75.00753	0.9
84.99181	1.3
85.02813	2.2
87.00758	13.4
89.02318	2.6
89.03844	9.9
97.06486	2.2
98.20365	5.1
101.02345	1.2
103.00261	6.1
104.44582	0.8
105.03355	1.5
108.36230	0.8
112.98689	15.3
113.05943	0.8
117.03349	47.5
118.03696	2.0
119.04927	2.3
121.02843	1.0
130.99815	1.1
133.02849	15.7
134.03639	32.3
135.04428	27.0
136.04684	1.2
137.02335	3.9
139.03918	0.9
145.02795	1.1
145.05956	0.8
149.00813	5.6
149.02245	1.6
149.04466	6.8
161.02341	4.0
162.03134	17.7
166.86360	0.8
177.01877	6.4
178.02641	17.1
181.03362	0.8
190.76888	0.7
191.01891	1.0
191.15294	1.0
203.10788	1.4
209.08162	2.0
229.08635	1.3
229.59221	1.0
231.10146	5.5
255.02972	2.1
256.03760	1.0
257.08157	1.8
275.09262	100.0
276.09561	7.1
285.03897	0.9
407.07217	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	407.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20161	1.0
53.93598	0.9
59.01256	16.8
72.99184	1.2
75.40038	0.9
77.49598	1.2
84.99201	1.2
85.85760	0.8
87.00751	13.0
87.06973	1.0
95.04892	1.2
97.06474	4.6
103.00272	5.0
105.03355	4.3
108.03875	0.9
109.02857	3.2
112.82458	0.9
112.98690	14.6
121.02817	1.3
124.00484	0.9
130.25565	0.9
133.01831	2.1
133.02863	41.7
134.03636	96.7
135.04050	4.3
137.02332	9.1
139.03893	2.7
149.00848	2.2
161.02393	1.2
177.01863	19.9
177.03372	0.7
177.05481	1.0
178.02647	34.4
179.03111	2.8
218.87904	0.9
231.10228	3.3
241.98759	1.1
275.09265	100.0
276.09589	7.2
310.03241	1.8
407.22171	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.1
59.01253	28.9
65.73669	0.9
67.01771	1.4
68.99674	1.0
69.03335	1.7
71.01261	12.9
72.06747	1.0
72.99184	7.4
73.02827	4.7
75.00758	3.5
79.01808	1.0
83.01264	1.9
84.17167	0.9
85.02839	5.6
87.00758	17.3
89.02323	3.0
93.03341	38.0
93.03920	2.1
94.03653	1.5
95.01279	3.1
97.02862	1.8
98.19732	2.4
99.00777	1.2
101.02339	3.6
103.00259	4.2
105.03323	1.6
107.01279	10.1
109.02862	1.4
111.00791	2.1
112.98708	3.8
113.02337	5.6
119.03391	1.0
123.00784	14.9
123.04436	2.9
124.01633	2.1
125.02342	49.6
126.02698	2.0
127.00264	1.3
133.02858	4.5
134.03661	4.5
135.04442	2.9
136.98737	1.7
137.02365	1.8
139.00278	5.0
140.01054	2.2
141.01868	3.1
149.00827	57.7
150.01202	2.0
151.00281	13.2
151.04004	1.7
159.04424	2.1
161.04530	1.2
168.00555	4.0
169.01350	59.9
170.01701	2.8
171.10205	6.1
173.06020	1.3
174.03128	2.9
175.04028	1.1
178.02484	1.4
187.03923	2.4
187.07565	5.0
197.06075	2.1
203.10666	1.5
211.02388	1.3
213.05878	1.0
213.09174	12.1
215.07132	2.4
227.03568	1.4
231.10254	26.9
240.66396	1.1
241.03471	1.4
249.06201	1.9
255.02956	5.7
256.03757	3.1
257.08145	9.2
275.09271	20.3
275.12103	1.7
285.04114	1.3
313.05695	15.7
347.17215	2.7
407.09906	100.0
407.19199	4.7
407.26590	2.3
408.10254	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	407.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92774	0.5
59.01256	26.8
60.55862	0.5
64.26605	0.4
71.01241	2.4
72.99185	12.3
75.00732	0.6
81.03352	0.8
85.02824	1.2
87.00756	26.5
89.02331	0.9
101.02330	1.9
103.00253	4.9
105.01841	1.5
112.98685	1.5
113.02348	1.4
121.02843	0.7
123.04397	3.2
130.99757	1.3
133.02914	0.6
134.03673	0.9
135.04472	0.5
146.03668	0.9
149.00829	100.0
150.01140	1.8
159.03305	0.4
159.04413	2.5
159.08040	0.5
171.10172	0.7
172.05208	4.2
173.05994	3.1
174.03206	0.4
174.06750	1.3
184.05211	0.6
187.03972	1.8
187.07585	28.2
188.07997	1.7
197.05963	0.5
200.04691	0.8
201.05511	2.7
202.06300	7.5
203.10675	1.3
203.88196	0.5
205.08589	0.6
213.09145	7.8
214.09569	0.7
215.07146	3.7
216.07709	0.8
227.03352	0.5
229.08719	0.7
231.10231	23.5
232.10597	1.5
244.03781	0.5
245.04549	1.4
245.08170	2.5
257.08243	0.9
275.09271	16.8
276.09552	1.3
303.53787	0.4
407.19003	1.9
408.19632	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02842	13.1
58.52749	1.2
59.01252	62.0
59.30577	1.1
69.85573	2.3
69.85965	3.4
71.01254	9.3
72.00761	1.9
73.02816	1.7
74.02345	26.1
75.00700	1.1
81.04451	2.4
82.02850	4.0
84.04430	1.7
85.02802	3.3
85.03938	1.2
86.01854	1.7
86.02351	13.6
86.05985	2.2
87.00737	2.0
87.02646	1.2
87.05531	6.5
88.03855	1.1
89.02312	8.5
96.04436	1.4
97.03958	3.2
99.00738	2.9
99.05511	27.8
101.02306	7.3
101.07089	4.8
102.05487	5.2
107.06021	2.5
109.03979	4.7
109.06464	4.9
109.07580	2.2
110.02465	1.2
111.05531	2.9
112.03943	2.2
113.02336	4.0
113.64088	1.2
119.03395	4.4
123.05523	2.9
124.03956	1.5
124.07589	1.4
125.03453	3.7
127.05041	4.0
128.03424	69.7
129.03731	2.0
133.06825	16.7
135.05566	7.9
137.07091	1.6
139.07567	2.4
141.06602	2.7
143.04520	100.0
144.04900	1.6
145.06073	5.0
146.04486	12.9
149.07098	1.7
153.06612	6.5
155.08147	1.9
161.04463	4.0
166.09772	4.9
167.04524	3.7
167.08174	5.0
170.03258	2.0
171.04015	4.0
178.04738	1.3
179.04520	27.8
181.06102	2.7
185.05630	3.6
192.07680	2.0
197.05582	4.6
210.08781	22.6
228.09929	2.0
236.06770	1.3
244.16309	1.4
254.07794	48.0
255.08052	3.8
272.08856	49.2
273.09048	1.5
277.12308	6.2
347.17032	1.7
388.15457	9.4
406.16544	50.5
407.16843	4.1
432.72037	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73928	2.0
58.02844	8.8
59.01250	39.0
71.01253	6.2
73.02812	2.8
74.02348	25.6
82.02860	5.2
85.02824	3.9
86.02323	12.4
87.02614	3.2
87.05502	5.3
89.02312	5.7
94.68369	2.1
98.19646	4.8
99.00733	2.5
99.05524	23.7
99.06133	3.3
101.02332	7.2
101.07092	5.2
102.05493	5.2
109.03961	5.5
111.05579	2.0
112.03915	5.0
113.02335	3.5
114.57498	2.0
117.88461	1.9
119.03382	3.0
123.05533	3.4
125.02389	2.4
125.03451	3.0
127.05012	4.1
128.03426	77.7
133.06822	17.5
135.05530	8.7
137.07098	3.4
141.06534	2.9
143.04523	100.0
144.04895	2.0
145.06108	6.1
146.04456	10.5
153.06575	5.9
155.08150	2.2
161.04448	3.9
163.20024	1.9
166.09790	4.4
167.04562	5.0
167.06023	1.9
167.08192	6.2
170.03296	2.4
171.04150	3.0
179.04504	25.6
181.06149	3.1
185.05598	3.2
192.07680	3.6
197.05656	4.7
210.08774	19.5
211.09084	2.1
230.33363	2.7
232.84042	2.0
254.07790	44.3
255.03055	10.9
256.03735	4.6
272.08847	52.6
273.09286	4.4
277.12250	5.0
297.99719	2.3
312.17719	2.2
388.15503	10.2
391.01483	2.0
406.16467	51.3
406.21384	3.1
407.07657	21.0
407.16937	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	405.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55009	35.3
57.71946	32.1
58.80274	29.6
59.01236	100.0
78.40288	39.7
79.37112	34.0
98.20502	82.3
156.52470	45.2
196.93120	34.4
201.22443	40.8
229.25633	47.4
305.82278	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	11.2
66.03257	1.7
68.99696	2.5
71.01257	15.8
71.29005	2.7
71.29359	3.9
72.99173	6.3
75.00739	14.5
85.02834	17.7
87.00762	5.1
89.02329	2.6
93.03306	2.0
95.01288	4.5
99.00755	8.4
103.00257	4.0
113.02336	23.8
114.05494	90.3
115.00237	1.9
115.05801	2.3
117.01860	3.3
156.06569	46.4
175.02385	2.8
231.05142	2.6
249.06139	100.0
272.47830	1.8
406.13547	48.4
406.18539	1.7
407.13916	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	405.2128
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01749	2.6
57.03316	2.1
58.00475	0.9
59.01254	44.0
60.01596	0.7
69.47042	5.7
71.01254	29.0
72.99181	1.6
73.02817	8.7
79.95642	0.7
83.01260	5.3
85.02821	10.7
85.06455	4.1
87.00739	1.4
89.02324	13.8
95.01263	2.8
99.00781	3.5
101.02322	20.7
113.02335	9.8
113.09549	0.8
119.03382	5.3
125.02365	3.2
155.14330	8.0
161.02296	1.1
161.04489	1.3
169.01411	0.7
179.05579	0.9
181.12204	0.9
181.15947	3.7
182.84181	0.6
183.13870	1.8
199.13345	18.1
199.15089	1.3
225.14943	4.4
233.63803	0.6
249.33942	0.6
308.05508	0.9
333.02679	0.7
345.19080	0.9
363.20331	3.3
369.17252	0.7
387.20261	1.5
401.66891	0.6
405.21310	100.0
406.21677	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	405.2132
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01751	1.1
57.03310	1.3
58.00461	1.8
59.01253	38.2
60.01571	0.6
71.01256	26.1
72.99184	1.6
73.02824	2.0
73.46045	0.4
83.01248	1.8
83.36949	0.4
85.02824	6.4
85.06482	1.5
87.00738	0.7
89.02320	14.9
95.01264	1.7
99.00768	1.4
99.08030	1.1
101.02322	13.6
108.02058	1.3
113.02334	7.4
119.03400	5.9
119.04893	0.7
123.04459	0.6
125.02347	0.9
128.08914	0.4
129.01782	0.5
129.89780	0.4
137.02376	0.4
143.03377	0.8
145.22453	0.4
152.01042	0.9
153.12708	0.7
161.04491	0.9
167.03418	2.1
179.05592	0.9
181.15912	5.2
199.13301	0.9
199.16914	0.5
207.13831	0.9
225.14914	7.5
226.15262	0.7
240.30359	0.4
243.06732	0.6
243.15953	3.2
273.07626	2.5
285.13385	0.5
360.33255	0.4
387.20337	1.6
405.21307	100.0
406.21698	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	405.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
71.08022	67.9
75.00750	86.7
83.99283	24.8
96.95889	21.7
126.94218	21.7
139.84938	21.8
162.70894	25.7
180.02560	23.1
196.22723	26.1
207.81773	26.3
225.11763	23.6
232.61243	24.1
283.08716	66.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2132
Annotation	Staphylionoside J
Peak:m/z	Relative Intensity
55.01749	2.4
57.03317	1.6
58.00476	1.8
59.01254	44.5
69.60748	3.1
69.61169	1.3
71.01255	23.3
72.99197	1.5
73.02814	2.4
76.53558	0.6
83.01270	2.3
84.56429	0.6
85.02822	6.9
85.06464	1.7
87.00757	1.2
89.02323	15.0
95.01263	1.5
98.19832	1.0
99.00774	1.1
99.08025	2.4
101.02326	11.9
113.02341	6.6
119.03380	4.6
131.37466	0.5
161.02301	0.8
161.04468	0.6
181.15924	8.0
199.16911	0.8
207.13890	1.2
214.19476	0.6
225.14922	9.4
226.15297	0.9
243.15984	4.3
345.19159	1.2
387.20267	1.7
403.53055	0.5
405.21307	100.0
406.21649	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	405.2132
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01760	1.5
56.42794	0.7
57.03318	1.2
58.00459	1.5
59.01254	100.0
60.01606	0.9
69.03331	1.8
70.72996	0.9
70.73341	1.7
71.01256	50.4
72.01592	1.2
72.99181	2.2
73.02823	69.3
74.03157	1.0
75.00754	1.7
77.53657	0.7
79.66167	0.8
79.95600	0.9
81.03348	1.0
83.01263	19.4
85.02822	5.6
87.00763	2.7
89.02322	14.9
90.59516	0.8
95.01266	1.6
97.02852	1.2
99.00751	2.3
99.04373	0.7
99.07975	0.8
101.02325	55.3
102.02644	0.8
113.02338	12.6
119.03391	5.3
121.02940	1.9
125.02336	1.8
131.03404	4.2
141.36418	0.8
143.03435	3.0
149.04544	1.0
151.97391	0.7
155.03412	1.2
155.14374	0.8
161.04430	7.0
163.07541	2.0
165.05466	1.4
179.15442	0.8
183.13826	27.2
184.14105	1.2
201.14929	6.3
208.40096	0.8
225.07570	1.5
274.84433	0.7
309.08524	0.9
318.29892	1.0
345.19159	6.6
363.20245	35.7
364.20615	2.6
405.21310	37.6
406.21765	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	405.213
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
53.45707	0.4
55.01752	1.7
57.03325	19.1
58.00470	5.5
58.03655	0.7
59.01252	100.0
60.01572	0.8
60.42226	0.4
68.99682	1.0
69.03357	0.4
70.97737	0.9
70.98064	0.5
71.01254	80.7
72.01593	0.9
72.99181	7.4
73.02820	4.4
75.00718	0.8
81.03349	0.5
83.01257	3.8
83.04881	2.6
84.02023	0.5
85.02824	19.4
86.03070	0.4
86.09341	0.4
87.00744	3.7
87.04358	0.6
89.02319	81.5
90.02660	1.2
95.01263	4.4
97.02823	0.7
97.06467	1.2
99.00759	1.5
101.02325	37.4
102.02642	0.8
103.54358	0.5
109.06481	0.5
112.05187	3.7
113.02332	30.8
114.02625	0.6
115.03901	0.5
119.03391	31.1
120.03773	0.5
120.05683	0.9
123.08018	0.6
125.02334	1.1
125.05988	1.4
125.09612	0.4
128.03453	0.7
131.03404	2.7
131.08514	0.6
134.07271	6.5
135.08090	3.3
137.05995	0.6
137.09610	3.1
139.07559	5.3
139.11194	1.0
142.88068	0.4
143.03409	4.4
147.08047	0.4
149.04506	2.7
149.09631	53.2
150.09996	2.2
153.09122	30.7
154.09436	1.2
155.13136	0.4
159.02872	0.7
161.04474	7.3
167.10698	78.2
168.11029	3.5
171.10129	0.9
179.05540	7.0
181.02240	0.4
207.13861	1.5
209.11760	3.5
225.14877	3.3
243.15994	13.6
244.16168	0.5
277.71964	0.5
405.13065	0.6
405.21899	3.1
406.17880	0.5
422.80527	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2129
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01765	2.1
55.11426	1.4
57.03326	16.0
58.00475	3.1
59.01254	100.0
60.11270	1.5
63.98608	1.5
66.67135	1.6
69.94914	10.1
71.01256	79.7
72.99185	10.8
73.02820	6.3
83.01302	2.9
83.04910	3.9
85.02827	19.5
87.00740	5.1
89.02321	95.3
90.02676	2.2
95.01270	6.4
99.00738	4.2
101.02328	41.7
108.02107	2.7
112.05151	3.7
113.02328	29.2
116.92924	1.6
119.03387	35.8
131.03400	3.9
134.07330	2.9
136.01575	3.5
136.56624	1.5
137.09615	2.0
143.03398	8.3
149.04434	4.0
149.09639	42.9
150.09938	1.9
151.03862	3.0
151.08719	2.4
153.09151	2.3
161.04486	9.9
167.10689	66.5
168.11044	3.6
171.10101	2.0
179.05562	11.8
181.04930	2.7
183.47630	1.6
207.13823	6.7
225.14923	9.8
243.15956	8.4
315.01486	2.3
362.78555	1.9
387.20267	5.9
405.21704	17.3
406.21439	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2128
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01758	2.8
57.03327	7.6
58.00474	2.8
59.01252	100.0
71.01254	70.1
71.04908	8.2
71.58778	1.8
72.01627	1.5
72.98824	1.5
72.99174	9.2
73.02821	5.4
74.02327	2.5
75.00747	2.0
78.28927	1.3
83.01269	4.6
85.02824	18.9
87.00738	4.9
89.02318	74.0
91.64413	1.4
95.01258	5.0
95.04895	1.6
99.00757	2.4
99.05527	2.6
101.02327	39.0
101.41843	1.3
105.16072	1.3
108.02084	1.9
109.02837	3.1
111.08028	4.7
113.01535	1.6
113.02325	30.6
119.03396	34.5
123.04389	2.0
125.02344	3.0
125.05958	2.4
128.03421	6.2
129.61800	1.5
131.03391	2.8
136.01620	1.6
143.03384	6.0
143.04524	7.3
149.04398	1.6
149.09558	2.3
151.03909	1.9
151.07480	1.6
152.36580	1.5
152.83057	1.3
160.00647	1.8
161.04465	9.0
163.11240	2.1
167.10733	2.3
179.05571	10.1
181.12299	1.6
189.12714	2.2
198.06885	2.2
207.12003	2.7
207.13841	33.6
208.14180	2.3
211.74715	1.4
225.14896	15.6
243.15953	7.6
254.07756	2.1
272.08838	2.9
306.07816	2.8
307.07910	5.1
378.38641	1.4
387.20151	14.8
405.21429	43.6
406.16797	2.5
406.21579	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	405.2131
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01762	1.5
57.03314	5.3
58.00474	3.8
59.01254	100.0
62.00864	1.0
71.01257	71.3
71.04904	4.5
71.59120	1.7
72.99165	6.3
73.02810	7.3
83.01283	3.5
83.04893	1.7
85.02827	14.0
87.00757	5.8
89.02321	72.5
90.02670	1.7
92.15544	0.9
94.03690	0.9
95.01291	4.4
99.00771	1.7
101.02325	40.4
108.04431	0.9
109.06504	2.2
111.08052	2.7
113.02340	26.6
115.12794	0.9
119.03394	31.7
123.04416	1.2
123.08051	2.4
125.02333	2.0
125.06039	1.2
128.03458	2.0
131.03438	3.0
135.08127	1.0
141.09114	1.2
143.03426	6.5
143.04474	1.7
149.04442	2.5
151.11201	1.7
161.04475	8.1
163.11198	2.9
167.10699	1.1
175.24620	0.9
177.09123	1.0
179.05537	12.3
181.12276	8.6
207.13815	9.4
208.14174	1.2
225.14865	6.9
236.10928	0.9
243.15977	16.5
243.18283	1.4
295.75266	1.0
387.20358	5.1
405.17508	1.8
405.21439	33.0
406.21783	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	405.213
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01767	0.8
57.03306	1.1
58.00438	0.8
59.01255	100.0
60.01601	1.5
70.30350	0.4
70.97997	0.6
70.98342	0.9
71.01257	13.3
72.99203	1.6
73.02824	3.9
75.00759	1.6
83.01296	1.7
85.02834	6.1
87.00763	1.4
89.02318	7.1
95.01273	0.8
99.00772	2.5
101.02335	11.0
109.02850	0.8
110.02334	0.5
113.02337	7.3
119.03419	3.0
122.05961	0.6
125.02372	1.2
129.01857	0.6
135.04446	0.9
143.03485	1.1
148.03941	0.8
149.00850	1.1
149.02495	0.5
150.05553	2.1
159.02899	1.0
160.04010	0.5
161.04463	7.2
161.05667	0.7
165.05528	0.5
169.01349	0.5
178.05043	0.9
179.03464	0.6
179.05379	0.6
199.07622	1.4
225.10333	0.8
225.14886	3.7
227.08051	0.5
228.06842	0.7
229.08682	0.9
242.02197	0.5
243.11368	3.7
243.16159	0.6
250.17812	0.5
255.11551	0.9
257.09122	0.6
265.09903	1.0
267.07727	1.8
267.11450	1.5
268.09784	0.8
269.09378	0.8
273.07678	0.6
278.07050	0.9
281.09326	6.5
283.10965	1.5
285.12640	1.7
287.10452	0.7
293.09241	2.8
295.07376	1.7
296.08087	2.9
301.12012	0.5
304.17548	0.5
311.10385	17.1
311.13870	1.0
312.10764	2.0
329.11487	3.2
333.19199	0.8
343.13031	1.0
345.19186	11.5
345.23080	0.9
346.19745	0.6
363.16040	0.6
373.10504	1.1
387.11966	1.2
405.13062	5.9
405.21432	16.8
406.13300	0.7
406.21860	1.8
414.36697	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.3
58.00446	4.2
59.01250	100.0
60.01571	1.9
61.31982	1.1
67.62885	0.9
67.73814	1.1
69.55011	2.3
69.55418	6.6
70.69149	1.0
71.01251	55.7
72.99163	4.8
73.02808	4.9
74.11102	1.0
83.01244	3.0
85.02817	11.8
87.00735	3.0
89.02313	61.3
90.98138	1.0
95.01255	4.9
99.00748	1.6
101.01688	2.1
101.02320	27.2
113.02328	17.4
119.03390	23.6
125.09618	1.0
125.82146	1.1
131.03404	1.3
134.77814	0.9
143.03389	2.9
149.04417	2.6
150.03181	1.6
161.04414	3.5
162.00917	1.0
163.11166	3.4
165.01869	1.8
179.05563	6.1
180.00961	1.2
180.04131	1.2
181.12253	49.7
182.12552	3.3
183.10118	1.8
195.06540	2.1
207.85658	1.1
225.11267	68.7
226.11549	4.8
243.12337	9.3
257.08124	1.6
316.16464	1.2
321.50620	1.5
405.17572	43.2
406.18033	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	405.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03347	1.6
58.00486	1.1
59.01254	38.2
71.01254	17.2
71.39700	1.1
72.01598	0.6
72.99211	1.6
73.02815	4.0
74.02396	0.6
75.00761	1.1
83.01319	1.7
83.04927	0.7
85.02826	5.8
87.00796	1.2
89.02318	17.3
95.01320	1.2
95.04946	1.3
99.04454	1.3
101.02326	10.0
101.02917	0.8
107.16903	0.5
113.02332	6.8
119.03381	5.4
119.04945	1.0
131.03438	0.8
135.02898	0.6
161.04457	1.0
163.11211	3.5
179.05547	1.1
181.12271	22.6
182.12610	1.4
183.10208	0.7
199.07593	0.6
207.10338	0.9
225.11284	100.0
226.11603	6.9
227.03398	0.8
227.12808	3.0
243.12328	1.7
243.16116	0.7
257.08295	0.9
287.15033	6.1
311.10309	1.2
329.11118	1.1
345.22739	1.1
355.02832	0.5
363.24002	1.2
405.12128	1.0
405.17444	21.3
405.25427	1.0
406.17734	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	405.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67150	1.2
53.15323	1.3
57.03336	1.4
59.01253	13.8
61.98713	1.7
68.23166	1.4
69.44115	12.9
71.01247	3.3
72.92797	1.3
73.02820	1.7
79.69608	1.5
79.82823	1.2
85.02844	1.6
85.06864	1.1
93.03339	4.3
95.77502	1.5
101.02332	2.0
112.78838	1.2
113.02345	1.6
121.02809	7.3
122.03645	11.4
128.04968	2.5
130.06537	2.8
132.19106	1.2
133.02892	2.7
136.01497	2.0
149.02339	47.9
150.03131	89.1
151.03574	3.9
158.06004	5.4
161.02328	5.2
164.04726	8.9
165.05481	100.0
166.05806	6.2
172.04005	1.4
176.04706	3.8
179.03444	9.9
180.04178	7.7
188.04704	2.5
191.07117	1.6
194.05792	10.6
195.06560	47.8
196.06706	1.5
201.11240	1.7
207.06693	1.8
209.08142	19.5
257.08151	7.7
337.31650	1.2
342.11050	3.8
357.13397	28.4
358.13733	3.0
360.03561	1.2
405.25168	1.7
416.02768	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.3
58.00446	4.2
59.01250	100.0
60.01571	1.9
61.31982	1.1
67.62885	0.9
67.73814	1.1
69.55011	2.3
69.55418	6.6
70.69149	1.0
71.01251	55.7
72.99163	4.8
73.02808	4.9
74.11102	1.0
83.01244	3.0
85.02817	11.8
87.00735	3.0
89.02313	61.3
90.98138	1.0
95.01255	4.9
99.00748	1.6
101.01688	2.1
101.02320	27.2
113.02328	17.4
119.03390	23.6
125.09618	1.0
125.82146	1.1
131.03404	1.3
134.77814	0.9
143.03389	2.9
149.04417	2.6
150.03181	1.6
161.04414	3.5
162.00917	1.0
163.11166	3.4
165.01869	1.8
179.05563	6.1
180.00961	1.2
180.04131	1.2
181.12253	49.7
182.12552	3.3
183.10118	1.8
195.06540	2.1
207.85658	1.1
225.11267	68.7
226.11549	4.8
243.12337	9.3
257.08124	1.6
316.16464	1.2
321.50620	1.5
405.17572	43.2
406.18033	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	405.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	0.8
58.00460	2.0
59.01250	46.2
71.01257	27.4
71.01587	0.4
71.01656	0.7
71.57355	1.3
72.99175	2.5
73.02827	1.2
79.65414	0.6
83.01244	1.6
85.02821	5.9
87.00747	1.7
89.02314	28.5
93.24055	0.7
95.01263	1.7
101.02317	11.6
113.02321	11.4
119.03394	10.8
123.85055	0.7
125.02321	0.8
131.03410	1.7
131.10187	0.8
143.03401	1.3
163.11185	3.6
165.49039	0.8
179.05530	2.3
181.12262	53.6
182.12636	1.7
192.99478	0.9
215.03662	0.7
225.11270	100.0
226.11624	5.5
229.08684	1.1
257.08157	1.6
272.03329	0.8
405.17569	9.3
405.25119	1.2
406.17731	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1192
Annotation	Astringin
Peak:m/z	Relative Intensity
57.25029	0.2
59.01253	2.1
65.00190	0.6
69.03338	0.2
70.38640	0.2
71.01253	0.3
71.23604	0.3
71.23945	0.4
80.02539	0.6
91.01770	14.2
92.02093	0.4
93.03329	0.7
95.01267	1.0
107.01273	0.3
107.04916	0.8
108.02053	17.9
109.02866	4.2
121.02856	1.0
122.99906	0.4
123.00773	6.5
124.01521	0.6
125.02322	0.4
135.00777	15.1
136.01109	0.8
137.02348	4.4
151.00276	0.3
152.01057	18.0
153.01445	0.9
161.20250	0.2
169.06499	0.4
197.05983	1.4
198.06369	0.2
199.07593	0.4
204.47424	0.2
213.05458	1.3
215.07089	0.8
225.05569	0.3
241.05017	0.3
242.05864	0.4
243.06593	100.0
244.06914	7.1
254.61562	0.2
405.11920	4.7
406.12003	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1191
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
57.03304	0.4
59.01252	5.0
62.16258	0.3
65.00193	0.6
65.03833	2.9
67.01749	1.5
68.99698	0.7
69.03308	0.3
69.59222	2.2
71.01250	2.5
72.99186	0.4
73.02821	0.7
80.02551	0.5
83.01254	0.4
85.02812	2.4
87.00758	0.5
89.02309	0.7
91.01770	42.7
92.02109	1.1
93.03310	0.4
101.02337	0.8
107.04903	2.4
108.02042	3.2
109.02835	29.7
110.03191	0.9
113.02338	0.7
119.03445	0.3
121.02824	1.4
123.04411	0.6
125.02310	0.7
129.01825	0.3
133.02847	1.2
135.00777	100.0
136.01089	3.4
137.02342	3.8
139.23315	0.3
143.64124	0.3
147.04457	0.6
149.02319	1.3
151.03946	0.6
153.01837	90.0
154.02165	3.0
157.28876	0.3
161.02361	0.8
161.04524	0.3
163.03957	0.3
175.03944	3.5
177.01851	3.2
189.01721	0.3
195.73257	0.3
197.06004	1.2
199.07751	0.3
225.05510	1.0
243.06606	12.5
244.06960	1.0
257.08231	0.5
267.06717	0.6
297.06134	13.0
298.06454	0.8
405.11880	7.5
405.21201	1.0
406.12341	1.1
406.20419	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1191
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
58.88232	0.5
59.01252	8.0
65.64420	0.5
69.03329	64.3
70.03673	1.6
70.93626	1.6
71.01257	3.7
73.02831	0.7
79.01749	6.2
81.03329	4.7
83.01256	1.1
85.02816	2.8
89.02323	0.8
93.03328	0.9
95.01260	5.3
97.02833	40.5
98.03210	0.8
101.02342	1.9
107.01273	26.8
108.02091	6.8
109.02849	3.6
113.02365	2.2
119.03394	1.1
119.04873	0.5
121.02836	3.2
123.00771	10.2
123.04465	0.9
125.02341	97.0
126.02692	3.8
133.02858	1.8
134.03671	1.0
135.00778	20.0
135.04393	1.0
136.01570	4.8
137.02345	2.4
149.02339	2.6
151.00278	70.7
152.01074	7.5
153.01846	21.9
153.03088	1.2
154.02237	0.7
157.11073	0.5
163.03908	6.6
163.54262	0.5
165.01942	0.7
177.01857	7.5
179.03377	0.6
183.13901	0.8
194.02087	0.7
197.05956	1.3
198.06706	0.9
207.02887	0.8
219.02866	0.7
225.05565	1.0
242.05818	100.0
243.06517	27.6
244.06964	1.5
285.07813	3.0
297.06073	5.0
298.06738	0.7
345.19098	1.5
363.20020	0.9
405.11884	35.4
406.12354	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	405.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15882	0.3
55.01767	0.4
59.01252	3.7
65.00191	0.7
65.03837	3.0
67.01757	1.4
68.99696	0.8
69.60162	2.0
71.01265	2.2
72.92067	0.3
73.02812	0.4
74.92653	0.2
79.10191	0.3
80.02541	0.9
83.01251	0.5
85.02825	2.1
87.00762	0.4
89.02294	0.7
91.01772	43.0
92.02096	1.2
93.03333	0.4
95.01279	0.6
98.20496	0.6
100.68246	0.3
101.02331	0.6
105.28741	0.3
107.01274	0.3
107.04912	2.1
108.02060	3.4
109.02837	30.2
110.03193	0.8
113.02306	0.6
121.02845	1.5
123.04371	0.7
125.02318	0.7
129.89114	0.3
133.02850	1.0
135.00778	100.0
136.01068	3.6
137.02348	3.4
147.04478	0.3
148.01505	0.4
149.02351	1.5
151.03964	0.5
152.01093	0.4
153.01842	90.4
154.02188	3.2
161.02367	1.0
163.03879	0.5
175.03917	3.5
177.01851	3.6
179.03410	0.3
189.01888	0.5
195.03079	0.4
197.06038	1.1
199.07675	0.3
225.05559	1.1
238.26105	0.3
243.06587	12.1
244.06912	0.5
253.06958	0.3
267.06705	0.5
273.07858	0.3
297.06158	11.2
298.06592	0.9
327.67429	0.4
369.95218	0.3
405.11865	6.9
405.21152	0.9
406.12341	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65578	0.5
59.01238	0.9
61.98703	100.0
71.01270	0.6
71.56346	0.4
72.95908	0.5
73.02822	0.5
87.00718	0.5
89.02314	0.7
96.96866	0.5
99.43419	0.5
111.00752	0.5
116.88874	0.5
119.03421	0.7
126.01803	0.5
191.01735	0.5
191.05545	1.0
219.12756	0.5
339.57324	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	62.3
60.01577	0.9
70.70429	1.9
70.70784	0.6
71.01241	1.0
73.02801	1.0
76.92630	0.6
85.02805	1.1
89.02315	0.8
100.02922	0.6
101.02357	0.8
113.02269	0.5
123.45787	0.5
141.34441	0.5
159.04376	0.7
174.03149	1.2
185.49626	0.5
187.03946	4.5
188.04713	34.9
189.05116	1.6
190.02654	4.2
197.02373	0.7
201.11261	1.5
211.07593	2.4
215.03452	6.5
216.04218	12.4
217.04512	0.9
219.02985	4.2
220.03725	4.7
229.08659	22.5
230.08971	1.7
231.02911	1.3
239.07124	6.1
257.08173	100.0
258.08490	6.7
259.06042	1.0
261.54996	0.6
301.07153	9.3
319.08170	1.1
345.06073	0.6
367.15744	0.7
405.08282	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	68.6
61.68028	26.7
70.10859	100.0
70.11276	50.6
96.27248	25.0
126.50274	24.4
126.69541	25.6
133.21895	21.9
166.72449	27.1
190.14618	25.1
402.46353	25.1
414.28793	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	68.6
61.68028	26.7
70.10859	100.0
70.11276	50.6
96.27248	25.0
126.50274	24.4
126.69541	25.6
133.21895	21.9
166.72449	27.1
190.14618	25.1
402.46353	25.1
414.28793	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1972
Annotation	Staphylionoside C
Peak:m/z	Relative Intensity
55.01760	0.8
57.03311	1.3
58.00446	1.1
59.01254	32.4
69.03331	1.4
71.01254	19.6
71.04890	2.7
71.37155	0.3
71.59607	0.7
72.99184	2.1
73.02827	1.5
75.00759	0.5
83.01263	2.2
85.02828	5.1
87.00759	0.8
89.02319	11.0
95.01264	1.5
99.00741	0.6
101.02322	10.6
106.83628	0.4
109.06472	0.6
113.02331	5.6
119.03397	3.9
123.08035	2.4
125.02356	0.4
137.09616	0.5
148.07715	0.5
163.11198	1.6
163.97029	0.3
177.12621	0.5
179.14340	3.4
195.13785	0.6
198.35437	0.4
205.12218	0.4
223.09784	1.0
223.13336	20.0
224.13835	1.2
241.14429	2.2
297.69547	0.4
385.18839	0.5
403.19714	100.0
404.20062	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	403.1972
Annotation	Staphylionoside C
Peak:m/z	Relative Intensity
55.01743	1.8
55.66908	0.7
57.03324	10.9
57.49577	0.9
58.00461	5.0
59.01249	87.6
69.51770	1.1
69.52106	7.2
71.01252	70.9
71.04900	1.8
72.01593	1.3
72.99184	5.9
73.02821	6.5
81.03333	1.1
83.01256	5.0
83.04913	1.6
85.02824	14.4
87.00738	2.7
89.02312	80.0
93.03310	1.0
95.01273	4.8
95.04869	1.5
97.02814	2.7
99.00748	2.4
99.04405	1.2
99.07983	0.9
101.02319	45.9
109.06460	2.0
113.02331	30.7
119.03384	39.5
119.04249	2.0
123.04370	1.3
123.08038	8.5
124.05190	9.6
125.02359	1.9
131.03384	3.3
136.05174	3.6
139.07545	46.2
140.07880	1.8
140.50893	0.8
141.09093	1.3
143.03391	6.9
143.10651	1.9
147.10146	0.8
149.04453	2.0
149.09631	1.5
151.07547	19.6
151.11169	2.8
151.44839	1.0
153.09093	3.5
161.04460	7.1
161.09605	3.8
163.07541	2.8
163.11195	3.6
165.09134	2.2
169.01263	1.3
169.08601	3.2
175.07452	1.5
177.09076	1.1
179.05553	10.7
179.10689	18.4
180.10989	1.2
181.05106	0.9
181.08687	1.2
184.03676	1.3
187.11183	1.1
193.12260	12.9
197.11760	1.6
203.10667	4.6
205.12286	8.9
211.13289	4.0
221.11734	5.3
223.09740	1.9
223.13336	14.4
224.13622	1.2
229.99977	0.9
241.14406	100.0
242.14774	5.7
290.95898	0.8
403.19708	48.8
404.20193	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	403.1974
Annotation	Staphylionoside C
Peak:m/z	Relative Intensity
52.18724	1.2
52.20881	1.2
55.01752	2.4
55.09364	1.3
57.03325	10.6
58.00454	3.1
58.02822	1.7
59.01250	58.9
60.15694	1.4
69.44559	2.5
69.44964	10.4
71.01254	46.6
72.99194	4.7
73.02822	3.6
74.02346	3.2
74.27892	1.2
77.33753	1.4
81.03342	1.3
83.01244	3.6
85.02824	11.2
86.02365	1.3
87.00744	1.6
89.02316	49.4
95.01271	3.9
95.04954	1.8
97.02836	1.5
99.00797	1.2
99.05503	2.2
101.02320	25.0
109.06496	2.0
109.79700	1.1
113.02339	19.8
118.42448	1.3
119.03391	19.8
123.08060	7.2
124.05191	12.5
128.03485	8.2
131.03351	2.0
135.05435	1.5
136.05176	4.2
137.09590	1.9
139.07552	57.2
140.07959	1.5
143.03444	2.8
143.04501	9.3
143.10645	2.1
148.32932	1.2
149.04417	2.2
149.09616	1.8
151.07562	24.7
151.11124	3.0
153.09109	3.8
160.00594	2.4
161.04472	4.1
161.09636	2.5
163.07500	2.4
163.11189	4.6
165.09138	2.1
169.08572	2.6
177.09010	1.7
179.05498	5.8
179.10704	16.8
187.11252	1.6
193.12234	11.0
200.74646	1.1
203.10609	2.3
205.12268	9.0
210.08836	1.4
211.13330	5.6
221.11751	4.4
223.13350	14.9
225.04018	1.4
241.14412	100.0
242.14720	7.5
254.07788	3.6
272.08798	4.3
288.06628	1.8
306.07684	9.2
366.94098	1.4
403.14786	2.4
403.19696	28.2
404.19775	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06870	1.7
57.03319	2.3
59.01255	100.0
61.36978	1.7
64.44972	1.4
65.17509	1.7
69.03327	7.4
69.45869	6.4
69.46301	8.2
70.18927	1.5
71.01247	20.7
72.99160	2.2
73.02812	3.8
75.00759	1.6
83.01224	1.9
85.02821	12.7
87.00763	2.1
89.02318	9.2
96.95885	1.5
101.02337	13.3
113.02330	11.2
119.03391	4.2
121.02903	2.6
123.00790	3.6
125.02377	2.6
137.02263	1.6
138.06689	2.1
151.00243	2.4
153.01752	2.1
153.09120	6.3
161.04427	9.0
166.02478	1.7
166.06314	13.3
167.03481	1.7
169.01292	2.7
179.05609	1.6
179.07124	2.7
181.05003	1.9
181.08652	13.0
194.39212	1.7
239.54184	1.5
241.07153	1.9
241.14421	25.6
313.48996	1.6
403.12213	12.9
404.12842	2.3
413.28833	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.2
57.03308	2.2
58.00460	2.4
59.01255	51.4
61.73698	0.9
67.05380	0.9
71.01257	26.6
71.58679	1.2
72.99187	2.9
73.02819	1.9
74.02335	0.8
83.01249	1.4
83.04940	1.1
85.02838	8.0
85.35754	0.8
87.00764	1.6
88.90282	0.8
89.02325	27.6
95.01298	1.9
99.00800	1.9
99.04400	3.0
101.02328	15.0
109.02847	0.8
111.08105	1.0
113.02356	9.5
113.03093	1.4
113.15880	0.8
115.07523	0.7
119.03394	13.0
124.05173	1.0
125.02357	2.8
131.03387	1.5
135.04449	1.6
135.11713	5.3
137.02292	2.4
144.60466	0.8
161.04420	1.5
161.09644	4.4
173.53685	0.7
179.05531	2.6
179.10698	47.7
180.11055	3.4
205.08562	0.8
218.78513	1.0
223.09714	100.0
224.10019	6.2
247.53854	0.8
254.29167	0.9
271.15506	8.5
281.14813	0.8
296.93332	0.8
388.11499	1.0
403.15561	11.3
403.19922	4.8
404.16357	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.4
57.03318	2.2
58.00456	3.9
59.01250	76.4
60.01584	1.0
67.05374	1.2
69.03316	1.4
71.01253	50.1
71.57968	1.0
72.99155	4.5
73.02811	2.8
76.59709	0.9
83.01266	2.2
85.02818	9.9
87.00747	2.2
89.02316	56.6
90.02702	1.0
95.01254	3.4
99.04402	6.7
101.02317	27.3
110.23791	0.9
111.04377	1.5
111.12044	0.9
113.01534	0.9
113.02323	17.5
114.02634	1.1
119.03387	25.0
124.05190	2.2
125.02377	1.2
131.03357	3.1
132.51294	0.9
133.10101	1.8
135.11684	6.0
143.03416	2.7
149.04448	2.1
161.04446	2.7
161.09621	3.6
179.05559	5.4
179.10693	53.8
180.11014	2.5
181.08635	1.0
196.06563	1.0
197.11743	1.4
199.02383	1.1
223.09703	100.0
223.13300	5.0
224.10066	7.3
241.10806	2.1
309.92038	0.9
343.13098	1.8
380.72031	1.0
403.19925	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	403.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16591	0.9
55.01755	1.7
57.03331	1.8
58.00465	5.0
59.01255	90.6
59.98378	0.8
60.01583	1.2
69.03329	1.1
69.58493	0.8
71.01257	52.8
71.04876	0.8
71.59854	1.1
72.01604	0.9
72.99178	6.2
73.02846	1.6
83.01273	1.7
85.02831	13.7
87.00767	2.6
89.02322	61.5
95.01277	4.6
99.04409	6.7
101.02328	27.9
111.04419	1.2
113.02331	18.2
119.03384	22.9
123.08067	1.6
124.05196	2.5
125.02369	1.3
131.03419	2.7
135.08154	0.9
135.11699	4.4
139.00244	1.1
143.03444	3.4
149.04488	1.9
161.04460	2.8
161.09608	4.5
179.05559	6.1
179.10703	46.7
180.11124	2.8
197.11781	0.9
213.05620	0.9
223.09720	100.0
223.13393	7.7
224.10027	5.1
241.05103	6.0
241.10889	2.2
271.15628	0.8
343.11929	0.8
361.22589	1.5
396.05524	0.9
403.19849	38.1
404.20227	1.9
416.43826	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	4.8
58.00474	1.2
59.01250	100.0
70.86492	2.9
71.01252	18.7
72.99192	1.1
73.02818	2.3
79.26530	0.8
83.01255	2.1
85.02822	5.6
87.00777	3.0
87.48337	0.8
89.02319	18.3
95.01250	2.1
99.04398	3.1
101.02327	8.1
109.02859	1.3
109.06449	1.5
113.02340	8.3
119.03405	5.1
119.08581	1.5
125.02364	1.3
131.68260	0.9
133.10077	1.2
134.16791	0.9
135.08057	1.5
135.11697	1.7
137.09616	5.7
146.57259	1.0
161.04478	1.1
161.09645	5.2
161.12877	0.9
163.07576	1.8
165.32939	0.9
169.01389	0.9
179.05540	1.4
179.10686	10.3
180.10904	1.2
181.08623	12.2
197.11760	57.2
198.12100	2.8
205.04910	1.1
205.08688	1.2
221.11732	1.0
223.09727	18.2
241.10774	92.4
242.11044	5.7
283.11890	3.0
293.88959	0.9
295.90677	0.8
371.13318	1.3
403.15695	7.2
404.16605	1.3
424.39359	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1397
Annotation	3,5-Dihydroxy-4'-methoxystilbene 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.98233	0.2
57.03311	0.3
58.56068	0.2
59.01250	2.8
61.98687	0.6
71.01254	1.4
73.02824	0.3
83.01229	0.3
85.02792	0.6
88.03918	0.5
95.45006	0.2
101.02283	0.5
104.82900	0.3
108.02044	0.4
113.02334	0.5
123.00780	0.4
123.04371	0.7
125.02309	0.7
126.35906	0.3
137.02313	0.3
138.03104	0.8
149.02362	0.3
155.17934	0.2
161.02333	0.6
162.03105	0.8
169.06482	0.8
177.05467	0.9
178.02618	0.7
179.03427	0.5
179.07042	0.4
180.05701	0.5
181.06494	3.4
183.04422	0.8
193.05034	1.5
194.05656	0.4
195.06557	0.4
196.05252	0.3
197.06012	5.5
198.06740	1.5
198.87344	0.3
208.05345	0.4
209.06111	0.6
209.08139	0.7
209.11783	0.7
211.07591	0.5
213.14679	0.3
223.06120	0.5
224.04744	1.2
225.05516	44.6
226.06134	8.9
229.65894	0.3
233.32065	0.2
239.07153	3.0
240.07956	2.9
241.08658	100.0
242.08987	8.9
298.89651	0.3
305.06723	0.4
343.17523	0.6
361.18637	1.0
365.01089	0.3
373.13205	0.5
403.14661	0.4
403.19684	1.0
403.67493	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05008	2.4
51.91022	2.4
59.01251	100.0
61.98706	6.0
64.54019	2.8
68.65304	2.6
71.58006	3.3
74.68774	2.7
77.96244	2.4
96.95904	3.0
99.08778	2.7
126.71751	2.5
127.39403	2.5
163.50914	2.4
198.26178	2.4
201.69962	2.9
203.41159	2.6
207.57770	2.7
215.12883	2.8
216.66751	2.6
239.21591	3.0
403.08258	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	403.1398
Annotation	3,5-Dihydroxy-4'-methoxystilbene 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
58.27532	0.2
59.01221	0.5
61.66931	0.2
61.98683	0.4
65.13974	0.2
66.38097	0.2
69.36635	0.6
69.37048	1.3
71.01231	0.4
75.00729	0.2
77.51979	0.2
83.89046	0.2
87.00755	0.2
101.02319	0.2
169.06464	0.2
181.06508	2.1
182.06990	0.2
183.04428	1.0
197.06013	1.1
198.06741	1.3
209.06021	0.5
225.05524	44.3
226.06151	8.3
227.06610	0.6
241.08667	100.0
242.08998	7.7
403.14294	0.3
403.23044	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48326	2.7
59.01248	20.7
68.99685	13.3
69.26960	15.6
69.27383	12.8
71.01234	6.3
73.02808	7.3
87.04406	3.9
89.02321	2.8
93.03343	4.3
95.01257	9.5
98.19807	4.3
109.02839	7.6
121.02857	4.4
123.00776	27.7
123.04428	2.7
125.02328	25.5
137.02319	9.1
138.02158	4.8
138.03123	50.5
139.03909	7.2
146.03629	57.9
147.04352	2.9
149.02335	6.9
151.03908	3.8
153.01810	12.2
153.05475	55.4
160.01483	3.4
161.05992	15.6
162.03189	4.3
163.00302	4.7
164.04689	36.5
165.01842	26.3
168.04182	28.3
171.88342	2.7
175.00256	11.8
176.01080	22.0
177.01866	14.6
177.05368	6.5
178.02650	11.9
179.03441	5.6
179.05482	3.3
179.07068	62.6
179.10754	3.4
180.04018	5.6
180.07269	4.3
181.01195	3.3
191.03452	21.4
192.04187	32.4
193.01350	55.8
193.04976	17.1
194.01805	3.7
203.07010	4.4
203.35631	3.0
207.02969	3.7
207.06583	40.7
208.03700	73.5
209.04312	7.2
219.06528	6.5
223.06065	100.0
223.09647	7.9
224.06339	4.6
225.05510	10.5
231.06534	4.7
238.04617	3.1
241.08656	19.8
241.10754	3.7
242.08919	2.7
249.07629	8.2
283.10580	3.2
299.22043	2.7
343.12219	4.0
343.21051	3.2
355.11850	7.1
361.22168	7.3
373.12946	14.8
403.14136	47.5
403.23175	8.9
404.14310	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1244
Annotation	Gentiascabraside A
Peak:m/z	Relative Intensity
55.01741	2.1
59.01248	16.2
65.00202	2.6
68.99693	2.1
69.30492	18.9
71.01244	10.3
75.00734	5.6
83.01255	3.9
83.04917	4.3
83.84705	1.9
85.02827	6.7
87.00757	2.1
89.02328	5.3
95.01247	6.7
96.99152	2.8
97.02851	2.4
99.00771	2.7
101.02276	3.9
101.05973	3.2
101.63267	1.8
109.02827	3.9
109.06482	4.7
111.00784	9.5
111.08029	5.0
113.02327	6.8
115.00206	2.2
119.03358	2.7
123.00757	7.0
123.04393	2.4
123.08053	7.5
125.02323	8.2
125.05982	23.2
125.09597	5.1
127.00237	2.1
135.08046	7.0
137.02325	4.4
137.99486	3.3
138.99266	2.4
139.00273	33.1
139.07541	2.5
141.01797	5.0
150.03064	2.6
151.00298	2.3
151.07555	8.4
153.09039	2.8
154.99756	15.3
155.07083	3.3
156.00563	11.2
157.01337	18.3
161.05974	2.4
163.00380	2.4
165.01833	3.0
167.03397	2.6
167.07013	5.6
177.05438	2.5
177.09250	2.3
179.05519	2.2
179.07076	41.3
181.01337	2.1
182.99260	2.4
184.00009	4.6
193.08638	1.9
195.06573	40.9
197.08141	20.3
197.48465	1.8
211.02438	4.7
211.06084	3.3
223.06081	100.0
224.06432	6.8
225.04053	2.7
237.07536	3.2
239.05539	7.8
240.06351	65.1
241.07092	21.8
247.06129	2.9
258.17746	1.8
265.07193	3.1
319.06619	7.7
327.08566	3.2
357.11813	1.9
385.11612	9.4
386.12268	2.5
403.12430	31.6
403.18005	2.7
403.19635	2.1
404.12787	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	403.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26943	14.0
57.03320	17.9
59.01255	100.0
61.54719	10.5
71.01250	35.3
74.51689	12.4
83.62384	10.7
85.02827	19.6
89.02328	31.4
97.22636	13.8
98.19772	28.2
99.19134	10.7
101.02343	28.1
102.58212	11.8
108.06684	11.0
113.02279	11.2
121.02831	20.1
125.02365	28.9
137.02336	53.9
153.00005	18.7
160.97388	11.2
161.02338	13.9
201.84048	11.1
229.22656	15.0
234.20534	13.1
269.04770	13.5
271.14346	13.5
275.07556	20.1
336.27853	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	403.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78313	1.9
58.64003	2.2
59.01254	42.7
60.81789	2.0
70.95702	5.6
71.01260	3.6
81.80199	1.8
82.47707	2.2
95.01253	4.6
100.63778	2.1
123.00768	100.0
124.01582	25.9
137.02321	2.2
138.03137	50.1
139.03912	53.8
140.04355	2.5
143.97096	2.2
149.02434	2.4
154.99742	2.7
181.04991	4.5
181.64998	2.2
234.93036	2.2
343.10306	9.2
384.57648	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1244
Annotation	10-Acetylmonomelittoside
Peak:m/z	Relative Intensity
51.51724	2.0
57.03319	4.2
59.01258	18.4
63.22428	2.1
67.01760	3.3
68.41854	2.6
68.99711	4.3
69.03336	7.2
71.01269	9.2
72.30074	2.0
81.03365	3.4
83.01237	4.8
83.04922	2.4
85.02808	5.3
89.02356	5.4
93.46106	2.3
95.01281	7.9
97.02843	5.1
101.02334	4.1
102.37437	2.0
109.02771	2.3
109.06472	3.9
111.00746	16.5
111.08076	3.7
113.02325	13.6
119.19810	2.0
123.00770	4.3
123.08042	5.5
124.01518	3.8
124.98664	2.2
125.02351	12.7
125.05956	19.3
125.09606	3.7
136.01576	6.3
137.02362	5.6
138.16270	2.2
138.63397	2.1
139.00269	46.4
139.07506	6.3
141.01881	4.4
141.62053	2.2
151.07541	5.2
153.01839	4.1
154.99748	12.0
155.07068	3.2
156.00566	11.0
156.51811	2.3
157.01361	17.6
163.00336	6.0
164.04741	3.5
165.01883	2.2
167.07104	9.3
169.01326	6.7
177.09119	2.3
179.07072	47.6
180.00557	3.8
181.01308	6.0
184.00061	6.8
194.41142	2.3
195.06584	44.1
196.06998	2.7
197.00897	15.5
197.08220	15.2
205.04988	2.4
209.08176	2.2
223.06075	100.0
224.06422	6.1
229.80557	2.4
235.05980	2.9
237.07607	2.6
239.05586	6.9
240.06322	53.8
241.07127	29.5
265.07022	4.5
301.05588	2.5
319.06653	8.8
385.11334	14.2
403.12411	35.5
403.18002	3.7
403.18921	2.8
404.12894	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	401.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68944	0.8
57.03326	1.0
59.01253	9.9
68.63082	0.8
69.03331	2.4
71.01262	8.5
71.57759	1.1
72.99167	1.0
73.02819	1.9
85.02827	8.2
89.02329	4.4
91.03883	20.0
97.02853	1.2
97.06477	3.7
101.02338	2.0
108.49554	0.8
109.02808	0.9
113.02338	2.9
118.10213	0.8
118.29646	0.9
118.40310	0.9
125.09604	1.5
126.42945	0.9
127.11183	1.6
137.09633	2.0
159.02913	0.9
161.04488	2.0
165.12799	1.1
167.14275	1.1
171.10201	15.9
172.10588	0.8
177.12787	1.1
183.13837	2.7
185.11760	1.9
193.12157	1.1
197.11652	1.3
209.11778	1.3
211.13345	21.2
212.13713	1.1
215.29434	0.8
221.11821	4.5
229.14391	14.5
229.16519	1.3
230.14812	1.0
239.12854	3.1
288.73758	1.0
291.19702	6.8
292.19901	1.8
309.20728	6.9
327.21759	100.0
328.22107	10.9
382.91748	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.6
57.03325	17.6
58.00466	2.9
59.01252	32.8
62.84757	1.2
63.89162	1.2
67.40116	1.2
69.75063	6.6
71.01250	33.1
72.99173	5.4
73.02824	6.1
75.00747	14.6
81.03343	2.1
81.20468	1.1
83.01261	2.5
85.02821	20.8
87.00752	8.7
89.02312	11.0
95.01237	2.8
95.04890	1.8
98.19839	1.6
99.00739	4.8
99.04376	5.0
101.02323	20.2
103.00228	1.2
105.01826	11.1
108.31451	1.1
109.02812	2.8
113.02330	16.2
113.05962	8.7
119.03374	4.4
119.04900	1.2
119.18661	1.2
123.04385	1.9
123.08058	1.8
125.02349	4.4
129.01770	2.3
135.02887	4.8
137.02327	3.8
137.09616	1.8
138.03172	1.2
138.06779	2.4
151.03842	1.4
153.01822	2.8
153.09132	5.5
161.04446	3.6
161.09569	1.6
166.02629	1.3
168.04185	3.1
177.12779	3.4
179.10667	7.4
183.06546	8.2
195.13867	1.4
197.08150	2.0
221.11752	7.9
225.14870	2.6
239.23735	1.4
283.15494	1.5
318.83832	1.3
401.18146	100.0
402.18582	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13625	1.7
57.03313	7.9
59.01263	11.5
71.01244	3.6
73.02824	2.4
78.95782	2.8
85.02826	2.5
87.04387	8.3
89.12337	1.7
91.03873	6.5
101.02338	1.9
111.08008	4.0
121.02828	33.9
137.02371	2.1
165.09192	3.1
169.12317	2.6
171.10164	5.1
175.00354	3.9
179.14346	2.7
181.06528	9.4
181.12253	5.0
191.03467	4.2
193.01424	10.4
195.13841	8.6
197.11787	12.3
199.13298	1.7
207.10172	6.2
211.13362	4.5
221.15376	8.1
225.05478	7.7
239.16490	86.4
240.16795	5.1
245.02498	3.1
269.04282	2.6
285.05746	3.3
291.19662	20.9
309.20758	46.8
310.20956	3.0
327.21780	100.0
328.22131	10.8
357.09860	4.8
371.09302	4.0
401.09055	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	401.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	1.6
59.01253	65.6
60.01583	0.9
63.98260	0.8
69.33887	2.0
69.34283	8.7
71.01261	5.5
71.01603	0.9
73.02821	2.8
75.00774	1.1
85.02820	2.6
87.00761	1.8
89.02329	10.5
93.03325	0.9
95.04893	1.1
99.00739	1.3
99.04385	3.1
101.02333	1.6
103.03900	1.4
107.49255	0.9
109.02821	1.8
109.06505	1.1
111.04450	1.1
112.98643	1.0
115.00234	1.1
121.02830	1.0
121.06464	0.9
123.04432	2.0
125.02366	2.6
131.03377	3.4
137.02324	2.6
138.01894	1.5
139.03741	0.9
142.99791	1.2
149.04472	31.1
150.04851	1.3
151.03893	1.4
161.04546	1.1
161.05940	1.2
165.01802	1.6
165.12756	7.7
173.00919	1.0
175.03922	1.1
179.03372	1.4
180.06563	3.6
195.06569	2.1
196.06947	1.1
207.13884	11.2
209.11789	16.6
211.05804	1.2
212.57367	0.9
225.14966	7.4
233.07928	1.1
239.07399	1.3
240.27242	1.0
245.08026	1.4
251.12813	5.9
269.13940	100.0
270.14261	7.8
289.07303	6.9
401.12277	4.1
401.18048	16.2
402.18488	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1454
Annotation	Benzyl alcohol beta-D-xylopyranosyl (1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.48060	1.0
52.56039	1.1
55.01764	8.8
57.03334	8.3
57.40830	1.2
58.00478	1.5
58.45437	1.2
59.00953	2.2
59.01254	51.3
69.03324	3.5
69.78737	7.2
71.01257	100.0
72.01580	1.3
72.99196	1.8
73.02825	46.9
75.00742	2.5
81.03343	1.8
83.01254	16.7
85.02826	49.8
86.03146	1.2
87.00757	4.8
89.02320	18.6
95.01270	7.2
97.02835	6.0
99.00764	20.6
99.01356	1.9
101.02328	75.0
102.02679	1.5
111.00778	1.5
113.02338	36.1
114.02705	1.5
115.03887	3.4
125.02356	9.0
129.01813	2.0
131.03394	3.7
131.32045	1.2
136.94183	1.1
143.03389	4.2
149.04509	1.6
150.95959	1.1
159.02924	6.8
161.04482	45.3
161.05838	2.2
162.04822	1.7
164.40347	1.0
165.05501	1.6
166.44234	1.2
205.03447	1.3
233.06583	5.6
269.10327	72.4
270.10715	5.2
293.08957	1.8
401.14560	47.8
402.14957	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	401.1816
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
50.63601	1.3
55.01746	1.3
57.03321	14.5
58.00466	3.3
59.01254	35.2
59.07365	1.4
60.82753	1.2
71.00894	2.5
71.01257	31.9
71.58621	1.7
72.99178	6.5
73.02820	5.4
73.07703	1.5
75.00748	16.7
81.03337	2.1
81.49377	1.5
83.01262	4.5
85.02827	13.1
87.00755	9.1
88.38735	1.3
89.02322	10.8
95.01276	2.1
95.04918	2.0
98.19713	1.4
99.00745	4.0
99.04404	4.0
101.02323	13.6
105.01831	14.9
106.04890	1.3
109.02827	2.8
111.00755	2.3
113.02333	12.2
113.05962	12.1
119.03430	2.3
123.07979	2.3
125.02337	4.4
129.01776	3.0
135.02905	7.5
136.04785	1.4
137.02292	1.4
137.09633	3.7
138.06790	2.4
153.09126	6.1
161.04555	2.1
163.71660	1.5
165.01881	1.7
175.02451	3.2
177.12761	2.6
179.10693	9.1
181.08620	1.6
183.06529	4.8
195.13864	1.8
203.36351	1.4
221.11835	10.5
225.14859	2.8
262.84229	1.7
297.11343	1.6
331.31668	1.5
333.85269	1.4
401.18170	100.0
402.18478	9.9
423.74628	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	28.6
61.98701	100.0
68.68229	7.6
69.27475	7.4
70.87785	16.1
70.88121	10.8
71.01257	27.9
85.02836	14.6
87.00765	23.6
87.09155	7.9
89.02319	15.2
96.95882	11.9
101.02322	12.7
110.08589	8.4
113.02328	11.5
115.00295	10.7
131.08418	7.4
133.01343	9.9
172.44528	9.3
179.05537	10.8
191.05606	9.3
198.96774	8.0
207.78795	7.5
215.71179	8.2
341.11029	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.7
55.50014	0.3
57.03311	0.6
57.39000	0.3
58.41972	0.2
59.00957	0.4
59.01254	5.7
67.01758	1.0
68.99676	0.8
69.03315	1.1
69.58318	1.5
71.01257	4.5
72.99165	0.7
73.02824	2.0
75.00729	0.4
79.01761	1.1
83.00842	0.3
83.01264	2.4
83.68966	0.2
85.02828	3.5
85.81240	0.2
85.99946	0.5
87.00752	0.7
89.02311	0.6
93.03364	0.4
95.01265	2.9
95.04894	0.4
97.02832	1.1
99.00744	1.0
101.02312	4.3
107.01277	2.8
109.02845	0.5
109.99939	0.7
111.00772	3.4
113.02345	1.9
119.03300	0.3
123.00768	16.1
123.04387	0.4
124.01548	1.2
125.02335	14.1
127.00280	1.3
129.52133	0.3
135.04393	0.5
136.98714	2.0
137.02313	0.9
139.00282	5.4
140.01045	4.4
141.01837	3.2
151.00272	11.3
151.01512	0.6
151.03850	0.3
152.00633	0.4
153.01822	0.6
154.99763	0.4
163.03940	0.4
167.03468	0.3
168.00566	4.7
169.01341	16.0
170.01706	0.5
178.99763	0.3
181.04976	0.6
193.04948	0.4
194.26855	0.3
198.33638	0.3
224.21924	0.3
241.45837	0.3
313.05600	0.8
401.14490	100.0
402.14795	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	401.124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	2.5
62.91122	1.0
67.01775	1.2
70.06968	4.8
73.23190	1.0
78.29252	0.9
78.95783	1.9
81.03324	1.5
83.01234	1.2
85.35143	1.1
93.03327	5.9
109.02844	6.1
119.04904	1.8
121.02849	29.0
121.10110	3.0
123.00778	3.1
123.08050	7.8
124.01527	2.3
125.02341	1.3
137.02351	9.3
139.03937	5.7
139.11156	7.6
142.60922	1.3
145.02794	1.7
145.10156	1.5
147.00781	8.6
147.08044	7.1
149.02315	1.7
152.01039	1.7
155.03485	1.5
161.02367	1.4
163.00304	1.2
163.03915	1.3
163.11203	7.3
165.01884	11.7
165.09143	13.0
166.02560	1.6
167.03413	5.6
175.00305	34.5
176.01007	4.2
176.91937	1.0
177.01814	4.3
181.06444	2.0
189.01895	1.7
189.09178	3.2
191.03438	35.2
192.03711	2.1
193.01357	100.0
194.01675	5.3
205.05067	1.6
207.02924	1.5
207.10222	39.7
208.10561	3.0
215.03369	3.3
215.05565	1.2
217.01373	4.9
233.08154	17.8
235.09720	7.2
261.07715	11.4
262.08002	1.3
263.09250	4.2
297.11420	2.2
307.06067	1.3
313.07166	7.3
315.12283	1.2
316.07483	1.1
339.12335	10.2
340.12674	1.4
343.75891	1.3
357.06006	1.7
359.05539	1.6
360.06531	10.2
365.10541	1.3
366.74103	1.2
373.12759	2.0
383.11462	12.2
384.11832	1.7
401.09964	14.7
402.10361	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02298	0.4
58.45509	0.5
59.01255	4.7
69.03334	1.7
69.37621	3.8
71.01265	2.2
72.99187	0.5
73.02784	0.6
73.77587	0.5
75.00732	0.5
81.03326	0.9
83.01247	0.7
85.02810	0.8
87.00769	0.6
87.04400	2.7
89.02338	0.9
95.01276	1.4
97.02855	2.1
101.02330	1.0
113.02350	0.7
121.02835	1.2
123.00785	1.5
124.01575	4.8
125.02343	74.4
126.02700	1.6
137.02354	0.5
139.00273	1.2
140.01080	0.5
166.99863	0.9
167.03279	0.5
168.00554	9.6
169.01343	100.0
170.01724	3.3
175.71582	0.5
179.03459	1.1
195.13809	1.2
201.16844	0.4
209.08011	0.5
211.02480	0.9
239.09254	0.5
239.12781	0.5
269.10193	1.0
313.05670	1.9
335.70694	0.5
401.10858	47.6
401.18768	1.2
402.11243	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	399.166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00919	0.9
57.03315	3.5
59.01251	100.0
71.01253	11.4
72.99164	1.0
73.02833	7.1
75.00748	2.1
83.01307	1.3
85.02829	5.8
87.00731	3.0
89.02322	19.9
91.59528	1.0
95.01263	1.1
99.00751	1.7
101.02314	3.5
101.10127	1.4
103.03877	1.4
113.02321	3.5
120.91568	1.1
125.02341	3.7
131.03394	5.5
149.04463	93.5
150.04781	2.7
161.04442	4.9
161.13286	2.6
171.10059	1.4
223.13348	84.0
224.13742	4.9
267.12390	16.1
268.12762	1.4
295.64597	1.0
333.15475	3.4
333.65671	1.1
399.11398	2.0
399.16531	12.4
400.16797	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.109
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89307	3.4
57.03327	9.2
59.01249	16.2
69.03340	4.6
70.97359	8.0
70.97721	5.0
71.01255	21.3
72.99194	6.9
73.02810	9.5
77.26467	3.5
83.01258	3.9
85.02823	54.3
87.00752	84.0
101.02336	9.7
108.02038	17.9
109.02855	13.1
115.73106	3.6
123.00761	8.8
123.04410	4.9
125.02310	7.4
129.01863	5.9
135.04445	5.6
137.02348	11.8
138.03149	6.2
149.02390	4.8
151.00261	6.2
151.03905	3.8
152.01077	10.5
153.05403	5.5
161.02330	8.3
163.03941	10.6
164.04712	14.4
165.05513	7.9
166.02628	14.7
176.04738	12.4
178.06244	12.1
179.03484	18.5
179.07036	44.9
181.05014	21.2
182.02176	4.4
191.01849	5.1
191.03403	9.6
192.04262	6.0
193.04941	7.2
194.05739	12.1
195.06483	5.1
197.04500	9.3
203.03343	6.8
205.03323	5.1
207.06609	6.5
209.02982	14.9
209.08167	14.5
221.08171	5.5
223.04556	9.2
237.07553	6.4
249.07784	8.8
250.04819	5.3
265.07181	67.5
266.07721	4.8
275.46857	3.7
277.07132	14.5
295.08209	31.8
325.09329	12.7
355.10245	5.0
357.08228	5.1
384.07535	3.8
394.25510	4.0
401.06030	7.5
401.10870	100.0
402.11255	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	399.166
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50830	0.4
59.01253	100.0
60.01583	0.8
61.04853	0.4
71.01273	1.4
71.57609	0.8
73.02823	0.8
75.00753	0.8
85.02820	0.7
99.90062	0.5
101.02296	0.8
113.02352	0.9
115.00243	0.5
122.96464	0.5
125.02323	0.5
140.98677	0.4
148.05269	0.5
148.30566	0.4
152.93800	0.5
164.46107	0.4
195.06569	0.9
196.67964	0.4
230.22939	0.5
247.86357	0.5
399.19904	0.8
401.98019	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24549	0.2
57.03325	1.6
59.01256	1.6
59.45246	0.2
60.48322	0.2
60.51079	0.2
65.00188	0.9
67.71835	0.2
70.01682	1.1
71.01260	0.9
80.64752	0.2
81.03331	8.0
82.03698	0.2
82.72382	0.2
83.01258	1.7
85.02829	0.4
89.02313	0.6
95.01273	0.2
101.02337	0.2
107.01303	0.9
113.02354	0.3
116.32865	0.2
121.02808	0.3
122.03598	1.4
123.04531	0.2
125.02338	10.0
126.02617	0.2
127.11185	0.6
129.09100	0.7
137.02357	0.2
149.02361	0.9
151.00284	2.2
151.11211	2.9
153.09134	5.3
154.09558	0.2
162.03111	0.7
167.03430	0.3
169.12283	0.2
175.11188	0.2
193.12273	26.5
194.12575	1.8
219.10217	1.4
233.11839	0.6
237.11285	100.0
238.11629	6.6
261.11383	0.9
279.12283	1.1
399.16330	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.7
59.01250	9.2
65.00191	1.0
67.85186	0.1
69.03339	0.3
69.67757	0.3
69.68163	0.8
71.01253	1.2
73.02831	0.4
75.00748	0.3
81.03330	5.8
82.03681	0.2
83.01244	0.9
83.04896	0.2
85.02811	0.2
85.06474	1.6
87.00735	0.2
87.04382	1.1
89.02318	0.7
93.03339	0.3
94.04182	0.2
95.01250	0.3
95.04916	0.5
97.02826	0.9
97.06461	0.1
107.01279	0.3
107.04923	0.2
109.02869	0.4
109.06483	3.2
111.04408	5.8
112.04792	0.2
113.02322	0.2
113.05988	0.5
121.02856	0.4
122.03638	0.3
123.00810	0.2
123.04401	0.3
123.08080	0.2
124.01527	0.3
125.01429	0.3
125.02343	4.7
127.07537	0.8
131.01276	0.2
131.03464	0.3
133.06519	1.0
135.04466	0.3
136.05196	1.3
137.02321	0.3
139.03893	0.2
149.02420	1.3
149.04448	3.5
151.00302	0.9
151.07556	40.8
152.01053	0.6
152.07896	1.9
153.05487	0.5
161.04532	0.1
161.05954	0.3
161.13292	0.2
163.07530	0.5
165.01881	0.1
165.05537	0.9
165.09090	0.2
167.03398	0.3
167.07086	0.2
173.06009	0.3
175.00287	0.5
177.05524	1.0
179.07010	1.1
180.04280	0.8
182.30528	0.1
191.07062	1.4
193.08597	0.3
194.05775	0.6
195.06564	100.0
196.06908	6.0
201.05487	1.0
207.06583	0.9
208.07248	0.4
209.08134	3.1
211.77866	0.1
219.06578	21.1
220.06892	1.4
221.08118	0.4
223.13354	6.3
224.13713	0.3
231.06506	0.2
237.07660	9.9
238.08147	0.7
249.07649	3.3
250.08020	0.2
261.07632	0.3
267.12366	2.1
268.12790	0.2
339.10895	0.3
381.11795	0.2
399.12543	4.3
399.16754	0.9
400.13254	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75915	1.3
56.09414	1.3
58.00463	2.2
59.01249	51.8
70.86385	3.1
70.86725	1.5
71.01249	29.4
77.02116	1.3
81.27349	1.3
82.57575	1.4
83.01284	1.9
83.04874	3.9
85.02827	7.4
89.02313	23.1
93.06963	3.9
95.01273	1.8
101.02322	13.8
113.02338	9.8
119.03383	10.6
122.39064	1.8
125.38386	1.2
133.10135	5.4
145.06549	7.7
157.10129	2.4
158.07281	2.0
159.08096	7.2
160.08846	56.8
161.09111	2.2
167.34663	1.6
173.09628	11.0
175.11197	91.1
176.11488	4.2
207.26276	1.4
219.10197	100.0
220.10542	6.3
241.25569	1.4
245.44090	1.4
285.56290	1.4
287.57651	1.4
320.74493	1.4
387.93356	1.6
399.16583	49.2
400.17151	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	4.1
57.03317	4.1
58.00454	1.6
59.01254	100.0
59.87166	1.0
65.00191	1.3
66.70702	1.1
69.03314	2.2
71.01257	30.3
71.59619	0.9
71.60054	2.0
72.99178	5.3
73.02818	9.9
75.00751	3.8
78.95777	2.1
81.03363	1.4
83.01254	9.7
85.02349	1.5
85.02834	27.4
85.99957	1.3
87.00741	2.3
87.04390	1.3
88.03956	1.1
88.15916	1.1
89.02328	6.4
95.01273	4.5
97.02798	1.7
99.00777	5.0
101.02332	20.3
106.06484	3.0
112.01541	3.2
113.02329	14.7
119.03466	1.3
121.02840	7.6
122.03599	3.1
125.02354	7.3
129.01819	2.0
134.03725	1.3
135.04422	9.1
136.05235	1.4
137.02374	2.4
143.03369	1.6
151.00273	1.9
161.04498	3.4
162.06757	1.6
163.07565	1.9
177.05450	2.7
177.08975	1.1
180.07848	41.0
181.08371	3.3
195.10213	45.9
196.10521	1.4
196.70439	1.3
205.03401	1.5
209.08199	1.3
222.98804	2.0
223.09566	1.3
237.07610	10.9
237.11325	1.4
251.13000	1.1
255.03001	3.2
279.12317	1.2
284.03220	3.5
285.03888	1.4
309.13379	2.9
324.12097	3.9
339.14474	98.1
340.14709	8.8
348.89996	1.2
357.15555	77.3
358.15973	6.6
374.51392	1.3
399.06915	1.3
399.16769	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	399.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.8
59.01252	2.0
65.00201	1.0
69.03348	0.4
69.24544	1.8
69.24957	0.8
71.01248	2.0
72.99212	0.4
73.02811	1.3
74.10776	0.2
75.00759	1.0
81.03329	5.8
83.01249	1.4
85.02836	0.6
85.06455	1.7
87.00774	0.5
87.04393	1.6
93.03365	0.4
95.01263	0.6
95.04935	0.4
97.02838	0.8
98.19759	0.5
99.00787	0.4
101.02333	1.0
107.01263	0.4
107.04908	0.3
108.02088	0.3
109.01270	0.2
109.02828	0.5
109.06493	3.1
111.00744	0.6
111.04403	5.8
113.02314	1.0
113.05975	0.5
116.38598	0.2
121.02846	0.5
123.00767	0.2
123.04315	0.2
124.01574	0.4
125.02338	4.5
126.02606	0.2
127.07558	0.7
131.01289	0.3
133.06502	0.9
136.05182	1.2
139.03922	0.3
149.02365	1.3
151.00253	0.7
151.07553	41.0
152.01038	0.8
152.07913	1.8
153.05478	0.4
161.06032	0.3
163.07553	0.4
165.05487	0.7
167.07045	0.4
175.00243	0.6
177.05556	1.3
179.03574	0.3
179.07079	1.3
180.04234	0.5
191.07024	1.4
194.05743	0.6
195.06558	100.0
196.06902	4.4
201.05478	1.2
207.06544	1.0
208.07408	0.3
209.08138	2.7
219.06573	20.4
220.06952	1.0
221.08228	0.4
227.05479	0.2
237.07639	10.3
238.08002	0.6
249.07661	3.5
291.13223	0.3
295.69934	0.2
399.12952	4.2
399.19305	0.8
399.23953	0.7
400.13293	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.3
57.03326	6.1
58.00455	0.4
59.01251	3.9
65.00196	0.4
69.82904	2.2
71.01253	2.9
72.99181	0.7
73.02811	0.6
73.45409	0.3
75.00732	0.7
81.03329	2.7
83.01260	7.7
85.02824	2.7
87.00773	0.5
89.01831	0.3
89.02293	1.8
93.43773	0.3
95.01253	0.4
95.04880	0.3
97.02836	1.2
98.20433	0.6
99.00775	0.5
99.04384	0.4
101.02328	1.6
105.03354	0.4
107.01276	1.5
109.02836	0.5
109.06466	0.6
111.00792	0.4
111.04408	2.4
113.02354	1.4
121.02847	1.2
123.04417	0.7
124.01515	0.4
125.02338	100.0
126.02675	2.3
129.01799	1.0
135.04378	0.7
137.02319	0.6
139.03896	2.2
147.02873	0.8
149.02350	13.2
149.04407	0.9
149.05803	0.3
151.00270	1.5
151.03868	0.5
151.07523	0.3
161.04478	1.1
163.03941	0.4
165.05431	0.5
167.03429	5.6
169.01344	0.5
173.02327	0.7
177.05565	0.4
179.03450	1.7
191.03500	0.6
193.01540	0.4
195.06560	0.3
205.03497	0.5
219.06508	1.6
219.10158	0.8
219.13921	0.4
223.04623	0.5
223.13345	0.5
237.07643	16.4
238.08017	1.1
261.07645	4.0
267.07080	0.5
279.08743	1.3
287.07755	2.7
339.10910	0.4
399.12875	8.5
399.20969	0.5
400.13071	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	2.4
65.00189	2.0
68.99698	1.7
76.56593	1.3
81.03308	1.4
93.03299	2.5
98.19730	4.6
106.55744	1.5
109.02844	8.1
117.03355	1.6
117.06969	1.8
117.36379	1.5
119.01305	1.7
119.08588	3.3
121.02852	2.0
121.06475	8.2
123.00757	2.5
124.01530	2.3
137.02351	11.1
139.03963	8.2
145.06505	3.8
147.00786	13.3
161.02391	1.6
161.09625	16.4
163.07555	9.9
165.01845	11.6
166.02583	1.7
167.03403	5.9
175.00291	61.3
175.03864	3.0
176.00899	4.2
177.01826	3.8
187.07574	5.4
189.01831	2.5
191.03444	21.4
193.01355	100.0
194.01674	3.1
203.03477	1.6
205.08632	45.6
206.08900	2.5
215.03395	2.0
217.01389	3.0
230.55898	2.0
230.58052	1.9
231.06596	28.7
232.07135	2.7
233.08069	12.0
259.06149	15.4
260.06693	1.9
261.07669	8.4
295.09558	1.6
300.18546	1.3
309.11398	1.5
337.10776	9.7
353.10089	1.3
363.08511	1.9
371.11264	4.9
381.09726	24.1
382.10144	2.6
399.10901	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	399.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17747	0.2
50.89199	0.3
55.01783	0.3
57.03044	0.4
57.03325	5.9
59.01250	3.8
63.02267	0.5
65.00201	0.7
69.03322	0.3
71.01254	3.0
71.58640	0.4
73.02837	0.3
75.00726	0.2
81.03327	3.2
83.01258	7.5
85.02830	2.1
87.00753	0.6
88.03922	0.3
89.02315	1.4
95.01254	0.4
95.04890	0.5
97.02841	1.4
99.00756	0.8
101.02317	1.7
102.23970	0.3
105.03358	0.4
107.01277	1.0
109.02858	0.6
111.00776	0.4
111.04404	2.2
113.02334	1.2
119.03395	0.4
121.02835	0.8
123.04446	0.9
124.01472	0.3
125.02338	100.0
126.02654	2.8
129.01842	0.6
134.03596	0.3
137.02359	1.2
139.03912	2.3
149.02348	13.2
149.04333	0.6
150.02737	0.5
151.00269	1.8
153.05521	0.4
161.04451	1.1
163.03941	0.5
167.03418	6.2
168.03793	0.3
169.01328	0.6
173.02386	0.7
179.03386	1.6
181.59789	0.3
191.03406	0.6
193.50186	0.3
205.03416	0.7
209.04488	0.4
219.06566	1.3
219.13887	0.3
223.13362	0.4
233.76993	0.3
237.07651	14.5
238.07889	0.8
261.07690	3.2
262.01804	0.3
262.08011	0.4
267.07126	0.4
279.08661	1.4
287.07654	2.1
291.08588	0.4
399.12915	8.9
399.18332	0.5
399.20596	0.4
400.13461	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29531	0.7
55.01756	5.7
57.03048	1.1
57.03326	20.8
59.01248	3.1
64.45545	0.9
65.56299	0.7
67.01741	1.9
68.12026	0.7
68.99674	1.3
69.71698	2.7
69.72124	2.3
71.01258	6.3
72.99190	2.2
73.02818	1.9
75.00751	2.2
83.01261	10.4
84.02041	2.6
84.94437	0.9
85.02823	100.0
86.03172	1.8
99.00745	1.8
101.02332	6.0
103.03850	0.9
111.00761	31.7
112.54001	0.7
117.03356	1.4
119.63876	0.8
125.02308	2.6
129.01831	38.4
130.02179	1.0
134.03638	13.9
147.02867	1.0
161.04448	3.2
163.07533	1.6
178.02597	1.7
179.33618	0.8
187.02318	1.3
187.52734	0.9
193.04985	8.2
195.06531	0.9
205.03482	25.4
206.03780	1.0
223.04543	18.9
224.02823	0.9
224.04843	1.4
327.61880	0.7
334.35605	0.9
424.03650	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04033	0.7
55.01772	4.1
57.03045	1.2
57.03328	21.2
59.01254	12.8
64.89906	0.7
67.01775	2.2
68.99696	1.3
69.86646	4.7
71.01254	12.5
72.99170	4.1
73.02831	3.1
75.00753	3.6
81.03340	1.2
83.01259	12.4
84.02063	2.8
85.02827	100.0
86.03203	1.9
87.00761	2.0
89.02309	3.1
98.02381	1.1
99.00764	2.0
101.02332	9.0
103.03899	1.1
111.00772	37.0
112.01105	0.8
113.02342	1.5
117.03375	0.9
119.03369	1.1
124.87067	0.9
125.02325	5.2
129.00864	1.6
129.01836	31.7
134.03633	18.7
139.03860	0.9
141.02321	0.8
143.03418	1.1
146.66946	0.8
147.02908	3.4
161.04482	2.5
175.03989	1.1
175.11223	1.6
185.06032	1.1
187.02458	2.0
193.04936	4.5
201.09174	0.9
205.03481	32.1
206.03894	0.9
219.10327	2.0
223.04556	63.0
224.04866	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07154	1.6
50.78808	1.7
55.01752	2.6
59.01251	5.1
59.26346	1.8
69.03319	5.2
69.95191	3.4
69.95602	5.2
71.01242	4.0
72.99181	36.1
75.00726	9.4
76.53703	1.4
81.03330	43.4
85.02808	7.5
87.00764	4.0
99.00761	28.7
101.02319	2.0
113.02324	7.0
117.01833	5.9
120.54940	2.0
123.04433	2.2
125.02335	100.0
126.02663	3.4
129.01799	4.7
131.03404	3.4
134.03622	3.1
143.03410	14.9
154.68187	1.5
161.04471	5.4
162.03128	2.6
169.01326	10.0
170.01709	2.7
177.05516	3.0
205.03470	75.7
206.03830	1.7
217.80849	1.7
223.04564	23.9
313.05771	3.8
314.05817	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	399.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	3.7
57.03326	22.0
57.92580	1.9
59.01254	19.5
61.98687	3.1
69.42515	11.2
69.42921	6.1
71.01252	13.2
72.99177	12.9
73.02813	3.2
75.00742	7.3
76.61905	2.0
81.03333	6.0
83.01276	8.1
84.02062	4.1
85.02826	100.0
86.03149	3.2
87.00754	6.8
88.23724	2.1
98.20543	5.0
99.00771	6.9
101.02332	8.4
105.01822	4.1
111.00777	34.2
113.02332	4.1
123.04453	2.8
125.02352	21.9
129.01825	35.0
134.03651	22.4
135.04448	5.7
136.05170	3.6
143.03426	5.8
147.02907	6.9
151.07536	2.4
161.04462	3.8
163.07536	5.3
169.01416	2.5
193.04985	13.7
193.08696	2.3
195.06561	35.0
205.03487	46.0
223.04544	97.7
224.04837	3.8
254.03271	2.4
399.16910	10.8
406.58334	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	399.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	4.4
57.03326	20.9
59.01245	2.4
64.36552	0.7
67.01759	1.2
69.83266	2.2
69.83681	2.3
71.01254	7.4
72.99179	5.2
73.02819	2.7
75.00745	2.3
79.79327	0.7
81.03331	5.5
83.01260	9.5
84.02020	1.9
85.02824	100.0
86.03150	2.0
89.03857	0.9
98.19886	1.5
99.00757	3.8
101.02320	5.9
108.08919	0.7
111.00764	28.0
113.02312	1.7
117.03369	1.3
125.02322	12.8
129.01831	39.9
130.02202	1.1
134.03635	13.4
137.02379	1.2
143.03387	2.2
147.02847	1.4
149.05997	1.8
160.01518	0.8
161.04439	2.7
175.03838	1.0
177.01799	1.3
178.02617	1.4
187.02428	1.9
193.04996	6.8
205.03474	30.8
205.05417	1.5
206.03883	1.5
223.04550	21.4
253.48782	0.9
331.80838	0.8
346.79407	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	3.3
57.03325	11.0
68.25114	1.4
69.03339	3.0
70.17764	6.7
71.01247	6.7
72.99182	28.7
75.00749	7.4
79.96671	1.8
81.03333	34.3
83.01265	4.2
85.02821	70.6
87.00732	2.9
98.20445	2.1
99.00759	17.0
101.02303	2.6
104.47258	1.7
111.00763	15.7
113.02342	4.5
117.01851	3.5
125.02332	100.0
126.02657	3.5
129.01828	33.1
130.81538	1.5
131.03365	2.1
134.03624	13.2
134.04546	2.0
143.03386	13.8
143.40552	1.8
147.02876	3.2
161.04428	8.9
169.01350	2.4
187.02332	2.1
191.09242	1.8
193.05002	5.8
205.03470	96.3
206.03787	4.0
223.04527	44.5
240.70306	1.6
265.73083	1.6
344.94058	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44331	0.6
59.01248	100.0
60.01582	0.9
60.15671	0.6
66.56108	0.6
71.01251	4.5
71.49466	1.5
72.26572	0.7
72.99180	0.7
73.02824	0.7
75.00742	2.2
78.95808	1.1
85.02840	2.2
87.78235	0.6
88.03898	1.0
89.02343	1.9
95.01284	0.8
99.00763	0.8
101.02338	2.5
113.02351	2.0
133.06476	21.6
133.07439	1.2
134.06827	1.4
152.99519	0.9
285.03937	0.9
309.30191	0.7
396.68909	1.1
397.06116	1.0
397.18771	0.8
398.18628	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01590	1.3
61.62199	0.3
62.99398	0.3
69.75674	1.8
71.01274	0.9
72.22810	0.4
74.71985	0.3
77.66306	0.3
113.02327	0.7
116.25493	0.3
117.34114	0.4
134.95795	0.3
138.10419	0.3
161.27197	0.3
165.66747	0.3
258.68829	0.4
260.02502	0.4
356.95856	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	8.4
57.03329	6.4
58.00477	3.6
59.01253	62.8
69.03338	2.1
69.59638	11.0
71.01257	82.2
72.99186	3.9
73.02824	28.1
75.00758	2.8
79.04450	1.4
83.01260	21.4
85.02824	47.3
87.00770	5.0
89.02321	24.5
95.01277	4.8
97.02814	2.1
98.19770	1.7
99.00778	12.2
101.02324	100.0
102.02657	2.2
103.00277	1.6
103.03832	1.5
108.38159	1.3
113.02333	33.4
114.02659	1.6
119.03381	9.5
125.02367	4.6
129.01866	2.4
131.03368	3.4
134.03635	2.7
135.04424	4.4
143.03419	3.5
149.04468	3.3
149.06078	2.1
159.02914	7.8
161.04469	30.2
162.04779	1.3
179.03419	2.9
179.05656	2.9
191.05545	3.5
193.01442	1.5
193.04962	2.7
235.11833	68.3
236.12196	2.8
245.96161	1.3
276.32806	1.3
279.10818	2.0
397.17081	27.9
398.17700	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	5.5
57.03308	4.7
58.00487	2.1
59.01254	46.1
63.02448	1.7
71.01259	70.2
71.35587	2.4
71.35932	3.6
72.99188	5.0
73.02821	27.6
75.00745	3.0
83.01250	18.3
85.02830	33.7
87.00773	2.6
89.02331	18.9
95.01245	3.4
97.02837	3.7
99.00746	12.3
101.02328	100.0
113.02336	36.7
117.37174	2.0
119.03397	8.2
125.02332	1.8
133.32315	1.8
143.03416	5.1
149.04474	1.9
159.02914	6.6
161.04480	27.3
161.05844	2.7
165.81374	1.6
179.05557	2.8
185.98801	1.7
205.05116	2.1
216.29593	1.7
232.36711	1.6
235.06145	4.6
235.11848	70.3
236.12144	3.9
397.17096	33.0
398.17798	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	398.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32262	1.4
59.01253	100.0
61.98702	5.8
68.28355	1.4
71.44469	3.3
79.64407	1.3
94.03293	1.3
144.32988	1.3
157.62137	1.4
174.12151	1.4
199.07420	1.6
238.18166	1.9
283.88943	1.5
316.11472	1.8
320.26062	1.9
325.72763	1.6
330.51233	1.4
338.26962	5.9
390.10938	2.1
398.10974	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	397.114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	30.5
60.01542	1.0
71.01265	4.8
71.59720	0.8
72.99163	1.1
73.02831	3.1
76.34422	0.8
85.02827	2.7
87.00756	0.8
89.02304	2.7
93.03310	1.4
101.02322	2.0
103.00254	11.5
106.04121	1.0
107.95487	0.8
112.15830	0.9
113.02364	1.5
121.02802	2.3
131.03423	4.9
132.01993	0.9
133.02850	3.1
133.06474	0.9
134.03638	61.2
135.04478	6.0
137.02353	11.2
139.03912	3.8
149.02495	1.1
149.04482	4.0
149.05977	19.1
150.06215	1.1
161.02342	1.9
161.08116	1.2
175.03941	2.8
177.05478	4.2
178.02643	37.1
179.03322	6.2
189.40097	0.9
191.03917	0.9
191.05577	6.4
192.00500	1.4
193.01427	6.3
193.04999	100.0
194.05385	4.9
230.84282	1.0
231.76591	1.0
236.12869	1.4
275.12836	1.3
277.13007	1.6
301.94775	0.9
397.18881	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	397.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	5.6
57.03318	5.8
58.00465	3.8
59.01250	100.0
67.48817	2.6
69.03330	7.0
69.36340	25.0
71.01257	98.6
72.99187	10.1
73.02819	19.2
75.00753	3.7
81.03316	3.4
83.01270	8.7
85.02824	20.2
87.00741	16.8
89.02321	70.3
95.01262	8.4
97.02821	21.1
98.20585	5.8
99.00751	6.3
101.02328	76.4
111.04417	5.5
113.02336	31.1
115.03955	3.2
119.03397	25.7
124.01533	3.2
125.02348	25.3
133.04898	4.9
139.03885	4.6
143.03383	10.5
161.04434	13.5
167.72246	2.6
169.04878	2.7
179.05563	7.3
203.05611	2.6
214.30354	2.5
217.07140	3.1
221.06650	5.7
227.17464	2.6
235.08145	20.9
304.16724	2.6
314.58154	3.5
379.12192	3.3
397.13593	59.5
398.13699	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	397.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48135	0.8
55.01757	1.5
57.03326	3.3
58.00468	1.5
59.01253	23.1
67.01770	2.0
68.99691	3.0
69.03332	2.7
69.48365	7.9
71.01257	23.5
72.99188	8.4
73.02822	2.9
75.00748	25.5
81.03347	0.9
82.74775	0.9
83.01270	1.8
85.02826	24.3
87.00742	8.0
89.02319	7.0
91.73154	0.9
92.72665	0.9
95.01244	7.8
99.00758	13.0
101.02327	1.0
103.00278	3.0
111.00787	2.1
113.02332	33.3
114.02649	0.8
115.00272	2.6
115.46225	0.9
116.26521	0.8
117.01798	4.6
124.01568	1.1
125.02354	1.6
125.74124	0.8
129.01826	2.2
130.09091	0.9
131.48763	0.8
133.75278	0.8
147.04420	100.0
148.04735	5.6
157.01364	2.0
168.00529	1.4
175.02426	3.4
189.04102	0.9
190.13295	0.9
231.05031	7.1
249.06134	68.0
250.06548	3.3
337.09219	2.0
379.10568	2.0
388.09012	0.9
397.11423	56.9
397.59830	1.8
398.11774	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	397.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12963	2.7
57.03322	2.8
59.01252	100.0
65.22446	2.5
70.90139	7.9
71.01256	5.2
73.02822	9.1
89.02327	10.4
98.19848	2.6
100.03124	3.3
103.00257	38.5
103.03905	4.3
115.19415	3.5
131.03406	39.4
133.02837	4.0
134.03638	5.5
135.04424	79.8
136.04741	3.9
149.04465	71.7
158.27072	3.0
161.02394	14.3
168.51462	2.6
179.03438	61.8
191.05548	74.7
193.04930	3.4
223.04314	2.9
226.32626	3.2
293.06516	5.2
311.07700	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	397.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	45.7
64.00502	1.8
70.90191	4.9
71.01250	6.9
73.02816	5.2
87.00745	2.1
89.02318	3.7
101.02332	3.2
101.41738	1.8
103.00253	19.2
106.04158	1.5
111.00727	2.4
112.41141	1.6
121.02827	2.5
131.03400	8.5
133.02814	2.0
134.03625	66.3
135.04463	13.9
136.01546	2.5
137.02365	12.6
139.03842	3.3
149.04465	5.7
149.05965	19.0
160.01537	2.0
161.02361	5.4
161.08206	2.6
166.58727	1.7
175.03877	4.3
177.05432	6.8
178.02631	33.3
179.03378	7.9
191.05554	9.9
193.01286	6.6
193.04982	100.0
194.05293	5.5
251.43210	1.9
275.12906	2.0
397.18774	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90455	1.5
52.34092	1.5
53.48996	1.5
53.83535	1.7
53.94320	1.6
54.43010	1.4
59.01256	62.1
66.92226	1.6
69.48333	13.1
69.78423	1.6
71.01270	2.3
96.95893	1.5
98.19791	2.9
98.66132	1.5
103.21871	1.6
109.91613	1.4
113.02394	1.8
135.04396	6.0
146.03621	2.9
147.04419	4.0
149.05992	5.6
151.00278	2.0
151.07555	4.5
159.04390	3.5
160.05222	1.9
161.05957	10.3
171.04391	5.7
174.06816	2.4
175.03893	2.1
175.07570	9.6
187.07492	2.7
189.05511	32.5
189.09117	4.0
190.06027	2.3
201.09180	2.9
203.07056	11.4
204.07794	5.1
218.09462	4.3
224.84488	1.8
230.09445	52.2
231.09767	3.9
241.12296	4.4
257.04388	2.0
259.13397	100.0
260.13605	9.7
272.06955	1.8
273.14975	2.5
291.16028	89.0
292.16312	7.4
301.03677	1.8
303.12326	2.2
315.08636	2.1
335.14990	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	395.1921
Annotation	Creoside IV
Peak:m/z	Relative Intensity
55.01761	6.0
57.03329	5.1
58.00465	1.8
59.01252	36.3
69.03340	0.9
69.43925	2.3
69.44360	2.8
71.01256	64.2
72.01572	1.0
72.99194	3.5
73.02821	34.8
74.03137	0.7
75.00749	3.2
81.03353	0.6
83.00803	1.1
83.01263	13.9
84.02049	0.9
84.93636	0.5
85.02825	32.4
85.99955	1.2
87.00761	3.4
89.02321	14.8
95.01280	4.4
97.02853	3.1
98.19806	1.3
99.00754	12.1
101.02326	59.5
101.09596	0.9
102.02664	1.0
111.00739	1.7
113.02332	25.7
113.18478	0.5
115.03922	1.5
116.35257	0.7
119.03403	1.5
123.00767	0.5
125.02310	3.7
129.01817	1.1
131.03418	3.8
143.03416	3.1
149.04474	2.2
159.02907	6.5
161.04469	29.1
161.05835	1.4
162.04849	1.2
163.15468	0.6
205.03494	1.4
233.06668	2.4
263.14990	100.0
264.15302	7.5
281.15872	0.8
293.08685	0.7
294.80414	0.6
322.03018	0.6
395.19223	85.0
396.19574	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	395.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69962	0.2
59.01259	1.1
63.02266	2.3
65.00191	1.9
69.34807	2.1
71.01226	0.3
83.01289	0.2
98.20300	0.8
107.01274	2.0
123.04442	0.2
123.08045	1.4
125.06006	2.1
132.02061	0.3
132.25308	0.2
136.05214	0.3
137.02376	0.2
137.05980	0.7
147.08099	1.3
148.01563	0.8
149.02348	3.2
151.00281	0.7
159.04410	1.4
160.05214	1.2
161.02370	0.6
161.05901	0.2
161.09642	0.4
165.09137	1.3
175.03860	0.6
176.01019	0.5
183.13757	0.3
189.09142	6.4
190.09517	0.4
191.07034	0.5
203.03435	7.2
204.04213	10.9
204.07925	0.9
205.04715	0.8
205.08609	0.8
217.08601	0.4
218.05769	1.0
232.07411	0.9
233.08154	100.0
234.08492	7.5
234.10893	0.4
245.08255	0.3
247.09729	0.4
275.09299	1.8
332.21240	0.2
333.14404	0.2
395.13461	43.9
396.13861	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	395.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42706	2.2
58.34005	2.4
59.01252	64.9
63.62072	2.1
67.11639	2.3
69.51283	4.4
69.51694	15.3
71.01264	11.3
73.02820	6.8
75.00745	3.2
75.95084	2.4
85.02830	7.4
89.02317	3.8
101.02321	8.6
113.02333	7.0
119.04912	5.8
129.75638	2.2
135.04443	6.8
139.07553	2.6
147.04417	3.6
149.05956	4.9
151.07516	3.2
152.31349	2.4
153.26355	2.6
159.04417	5.5
161.04712	2.3
161.06017	9.0
169.62163	2.1
171.04399	8.0
175.07538	12.0
187.07556	2.9
189.05490	29.9
189.09145	4.3
190.05823	3.5
191.07065	4.3
195.31902	2.5
203.07069	11.6
204.07716	2.8
215.07588	2.1
218.09453	5.1
230.09439	56.4
231.09798	4.1
241.12373	3.6
259.13382	97.0
260.13718	10.0
273.15036	4.9
291.16034	100.0
292.16354	9.2
335.14859	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	393.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32087	1.7
51.36972	1.8
54.87844	2.0
56.69609	1.9
58.00481	2.8
58.51426	2.0
58.86569	1.8
59.01257	34.5
61.98710	19.3
69.47221	17.7
71.01254	15.7
72.99179	22.2
73.61193	1.8
77.39781	2.3
81.46499	1.9
83.01251	3.0
87.00756	4.1
89.02321	17.0
93.47646	2.2
96.95885	1.8
99.00753	68.8
99.92451	22.6
100.90321	3.9
101.30694	2.0
113.99454	3.7
115.00258	26.1
115.91953	12.3
116.92734	22.9
117.01824	8.0
171.10092	2.8
231.21162	4.6
275.20160	100.0
276.20569	6.5
277.21698	2.5
293.21222	2.1
303.23199	25.5
331.23013	3.1
357.20758	2.2
374.55661	2.3
375.12683	6.7
388.06873	2.6
393.13846	5.2
393.18472	3.7
393.22986	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	393.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30791	13.8
61.52852	12.7
67.54772	13.1
69.60187	33.7
69.60588	100.0
189.57886	16.9
212.61717	15.1
349.21490	17.3
395.16501	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	394.1692
Annotation	16-epi-Latrunculin B
Peak:m/z	Relative Intensity
56.38652	0.7
58.36813	0.7
59.01251	4.5
60.01555	1.3
61.19204	0.7
65.41844	0.8
71.01245	2.0
71.58378	1.1
78.95789	1.0
80.20980	0.7
95.04874	1.7
107.04975	0.7
109.02824	2.0
119.08523	1.1
125.05982	6.4
126.06333	0.8
135.08064	1.2
136.05211	2.8
136.07527	2.0
138.05780	0.8
138.06770	2.5
139.07539	1.4
147.08046	1.5
148.04279	11.8
148.05339	1.3
149.05957	1.8
151.07570	2.7
152.08360	1.0
153.09102	1.9
159.11717	1.1
161.09602	2.1
163.07515	1.8
163.11165	1.5
165.09082	1.2
175.07478	0.7
185.09610	1.0
187.11206	2.1
188.08331	1.3
189.09120	1.3
199.03267	0.8
201.12790	11.1
203.10692	9.0
204.11465	3.0
205.12212	0.9
213.12752	2.6
217.12268	0.8
219.13870	9.6
220.14281	0.8
230.09457	2.7
245.11833	5.3
256.13391	2.0
284.16565	0.8
289.16525	0.8
302.17572	1.4
329.18790	0.9
332.17032	3.3
335.15607	1.2
339.45395	0.7
346.16574	0.9
350.17932	9.8
351.18225	0.9
378.06860	0.8
394.16913	100.0
395.17227	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	393.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	2.5
58.00454	1.1
59.01257	25.5
78.28243	1.0
83.04939	1.0
86.84916	1.0
93.30773	1.0
99.08022	2.4
113.09599	4.8
114.01958	0.9
116.58210	1.2
117.94605	1.1
129.09091	4.2
139.11192	6.7
147.11705	4.1
151.11206	1.5
156.30704	1.1
165.12791	5.8
169.12254	3.0
171.10158	7.5
181.12260	2.7
182.48788	1.2
193.08440	5.7
193.12230	3.9
197.11763	10.8
199.13313	4.4
211.13353	15.0
215.10472	8.7
231.38109	1.2
233.11571	84.8
234.11832	5.3
237.09805	2.4
249.13431	2.7
251.11395	6.5
265.21432	1.0
279.10910	2.9
293.12433	13.3
293.21201	15.5
294.12766	1.4
305.05045	1.3
311.22281	100.0
312.22620	8.4
315.19421	2.0
333.20438	6.1
393.22418	11.6
394.21582	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58695	0.8
54.40450	0.9
57.03317	3.5
57.52651	0.8
59.01250	21.7
62.65549	0.9
70.16457	4.0
75.34543	0.9
81.01142	0.9
83.04865	1.0
84.86821	1.0
93.86626	0.9
97.06490	1.4
99.08032	2.4
99.92461	1.9
113.09633	7.1
120.15799	1.0
125.09589	1.1
127.11175	1.5
129.09091	4.2
139.11197	9.6
147.11717	2.8
151.11185	1.5
155.10724	1.7
161.12640	0.9
165.12769	2.7
169.12367	1.9
171.10164	17.1
179.10535	1.1
181.12267	2.9
183.10234	1.2
183.13797	1.6
185.11755	2.7
193.08389	3.9
193.12308	1.2
197.11760	8.0
199.13396	3.7
201.11287	2.2
207.09935	9.5
211.13362	11.7
212.13705	1.2
215.10422	3.1
219.09978	14.4
233.11560	32.8
234.11955	1.3
247.20699	1.6
249.13351	2.1
251.11307	5.7
253.09352	2.0
262.19693	0.9
275.20160	1.1
289.17731	1.2
293.12430	6.4
293.21295	8.7
311.22281	100.0
312.22589	8.4
315.19421	15.2
315.22888	1.7
333.20447	19.8
334.20712	2.0
377.19342	6.5
393.21533	10.1
394.21851	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36747	0.6
56.42477	0.6
59.01250	100.0
60.01600	1.2
69.33050	6.3
71.01257	0.9
75.77874	0.6
78.95818	0.8
85.02834	1.0
87.49451	0.6
104.72052	0.6
114.06097	0.6
114.51431	0.6
167.03400	0.8
180.84940	0.6
252.98140	0.6
273.07687	1.7
298.04910	1.2
313.07339	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	393.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01584	0.5
70.08719	2.7
71.01260	1.0
101.02368	0.8
213.12740	0.7
236.85611	0.6
280.09488	0.4
291.18164	0.5
397.92960	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10975	0.5
52.71199	0.5
57.03312	0.5
59.01255	100.0
60.01590	1.1
66.01541	0.5
70.16488	2.5
71.01253	5.6
73.02821	2.4
75.00780	0.6
76.39919	0.5
77.77789	0.5
83.01267	0.7
85.02824	3.0
89.02354	1.0
93.13665	0.5
98.20510	0.6
99.00792	0.8
101.02330	4.7
113.02344	2.9
125.02378	0.6
158.79701	0.5
161.04517	4.0
184.99144	0.5
195.06630	2.1
315.95169	0.6
333.19238	5.9
334.19702	0.8
393.28851	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35980	0.6
53.49521	0.5
59.01254	100.0
60.01590	0.8
71.01257	10.4
71.01615	0.9
71.50451	0.7
71.60847	0.8
72.99171	1.1
73.02842	1.0
85.02841	2.8
87.00777	1.2
87.25282	0.7
89.02327	12.3
101.02322	5.4
101.46406	0.6
113.02318	4.1
119.03392	6.1
139.47227	0.6
143.03445	0.8
161.04460	0.9
179.05612	1.9
282.37991	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00971	2.9
59.01252	100.0
69.62505	3.1
71.57460	2.4
71.57902	5.5
76.67046	2.5
78.95776	3.9
79.95603	6.6
96.95894	31.3
99.25533	3.0
107.72360	2.9
117.12501	2.7
136.00616	3.0
136.01587	5.6
137.02342	13.5
138.02699	7.1
171.10229	5.8
217.00278	5.5
276.38470	3.0
310.21140	8.6
332.19229	4.1
392.18668	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	393.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	15.0
64.20039	1.7
71.29282	2.2
71.29634	2.7
75.00748	33.9
78.95779	37.0
87.53336	1.8
95.04895	7.6
96.96835	3.0
129.24051	1.5
151.11171	4.2
152.98305	2.7
152.99495	44.7
153.12785	2.9
156.28668	2.0
171.00539	2.9
171.10184	22.3
174.99107	4.9
179.24500	1.5
183.01129	11.5
227.05840	1.5
256.43298	1.5
265.03729	2.3
267.09094	2.5
269.07120	8.0
277.21704	28.4
278.22089	1.8
295.22781	86.6
296.23138	6.6
311.16879	29.1
312.16959	2.6
329.14349	3.5
347.15344	3.6
349.16934	7.8
383.34192	1.5
393.19565	100.0
394.14789	1.4
394.19736	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	393.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85925	0.7
59.01252	100.0
60.01579	0.7
63.79967	0.7
70.98241	0.8
70.98557	1.3
88.80590	0.6
89.97490	0.8
104.05588	0.6
217.00307	0.7
232.14465	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01615	1.0
64.46806	0.8
68.77296	0.7
69.45223	2.4
69.45650	3.8
83.62372	0.7
89.56204	0.7
92.10071	0.9
101.02348	0.8
105.76281	0.8
236.28526	0.7
349.83209	0.9
393.15317	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.234
Annotation	Sedumoside A3
Peak:m/z	Relative Intensity
55.01753	4.2
57.03334	7.9
58.00468	2.8
59.01252	100.0
61.84681	1.5
69.45466	2.4
69.45818	15.3
71.01256	76.8
72.99178	5.4
73.02821	15.6
83.01240	11.0
85.02824	32.9
87.00760	3.2
89.02316	39.4
95.01276	6.3
98.25551	1.5
99.00771	5.9
99.04379	3.7
101.02325	54.6
101.27068	1.8
101.96992	1.6
102.02689	2.1
111.00781	2.2
113.02336	27.2
119.03378	19.2
121.02828	1.6
123.00772	3.9
124.01565	2.0
125.02343	6.3
131.03386	2.0
143.04907	3.6
156.23691	1.8
159.02922	4.8
161.04475	27.1
169.01303	3.6
179.05496	2.5
185.05966	2.2
229.05080	4.1
243.02882	2.1
267.71936	1.8
303.44672	2.0
352.97137	1.9
391.15421	2.3
391.23526	46.1
392.23755	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	392.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72689	10.0
59.01246	56.9
65.99725	43.6
67.27219	8.8
71.01259	26.8
71.27389	21.8
73.02818	14.7
73.73344	10.0
74.17636	9.2
83.01251	22.8
85.02813	12.6
91.56436	11.7
95.01276	34.3
97.02840	20.1
99.00757	67.5
101.02347	9.9
109.02844	41.0
111.00769	54.4
113.02347	23.2
121.02827	22.2
123.00786	40.8
124.01555	16.6
125.02377	51.2
134.02354	12.5
135.20731	11.6
137.02336	43.5
138.01854	13.3
139.00298	75.0
139.03946	16.3
141.01828	96.8
149.02344	26.8
151.00296	45.0
151.03999	14.7
152.01031	26.5
153.01878	96.4
154.99738	11.6
162.01869	10.3
163.00298	10.9
164.03448	41.5
165.01804	57.5
166.99809	48.3
167.03403	38.6
168.00586	25.0
169.01314	41.4
176.03387	13.8
177.01845	33.0
178.01384	31.3
178.99789	56.8
180.00316	9.4
180.02960	26.2
181.01357	32.3
182.02113	13.6
190.99826	15.7
191.03529	13.7
192.02972	25.3
193.01335	68.3
194.99255	58.1
195.02802	21.3
197.00839	100.0
198.03963	24.1
202.01434	13.5
204.02934	16.5
205.01349	16.9
207.02986	19.8
209.00902	39.2
216.02980	12.9
220.02454	27.6
222.04039	12.9
223.02486	15.4
232.02521	36.2
249.03821	12.0
250.03522	86.0
302.84103	11.4
329.02905	16.0
338.02832	11.7
356.04150	29.2
374.05191	48.7
392.06223	84.3
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
55.01749	6.4
55.38556	5.7
57.03319	6.9
58.64901	6.1
58.94749	5.7
59.01249	100.0
60.01583	9.5
60.69578	5.9
62.84590	5.2
65.00166	6.9
65.24963	5.4
65.99714	27.8
66.83826	5.8
71.01254	30.8
71.06034	13.4
72.99181	5.9
73.02811	11.7
75.00704	6.9
79.61658	6.9
81.03354	8.5
83.01253	19.8
85.02800	12.0
87.00732	7.0
89.02325	13.3
93.03342	8.2
94.56750	5.9
95.01257	23.8
97.02827	12.4
99.00761	67.2
101.02316	14.4
107.01268	9.9
108.53922	5.3
109.02824	32.3
109.99956	7.9
111.00760	45.8
113.02328	19.8
114.28603	6.5
121.02821	15.0
123.00755	35.9
123.04401	9.8
124.01520	15.2
125.02322	61.7
127.00266	8.7
133.02834	8.7
137.02339	51.8
138.23534	6.9
139.00264	64.7
139.03925	10.8
140.01038	15.0
141.01840	94.4
146.02374	6.8
147.00771	7.8
148.03928	9.2
149.02338	24.3
151.00270	40.7
151.03918	10.9
152.01112	15.8
153.01854	69.8
154.99800	7.4
161.02406	7.7
161.04463	7.2
162.01907	10.2
163.00266	13.1
163.03888	10.2
164.03406	26.4
165.01859	34.7
166.99745	26.6
167.03403	23.2
168.00545	26.5
169.01306	43.5
175.00241	6.1
176.03430	26.1
177.01790	24.1
178.01361	17.0
178.99809	43.6
180.02950	13.6
181.01320	27.7
189.01875	11.1
190.01334	7.2
190.99966	8.8
191.03343	12.9
192.02924	15.5
193.01390	45.4
194.99243	40.5
195.02899	8.8
197.00873	62.5
198.03984	10.8
199.02312	6.6
202.01361	16.0
203.03444	7.2
204.02844	11.5
205.01326	11.6
205.04874	6.5
209.00804	23.4
210.01517	6.9
211.02368	8.9
214.01443	6.4
216.02910	11.1
220.02466	12.5
222.04033	16.9
231.02921	7.3
232.02428	23.7
234.04013	7.6
247.02444	7.7
247.88919	7.8
250.03488	53.3
251.04027	9.7
257.04327	7.2
272.03134	9.2
329.02969	6.9
330.06458	8.4
335.79251	7.1
338.03064	8.5
350.19067	8.3
356.04144	18.5
374.05237	45.2
392.06195	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	9.1
59.01254	98.6
59.98389	21.8
69.03329	5.7
71.01258	14.0
71.58380	3.8
88.65253	3.4
93.03339	13.8
93.07014	4.1
95.04932	7.1
96.95895	3.3
99.04394	14.4
109.06503	3.8
113.05987	5.3
113.99229	9.3
117.00313	5.1
117.06993	4.0
119.08562	13.4
121.10130	33.1
123.08066	4.4
125.09618	11.1
127.07559	4.8
129.98744	9.8
137.09627	15.7
137.20387	3.0
139.11238	4.1
147.08089	6.3
153.01543	3.6
165.28813	3.2
171.10197	13.6
181.04712	8.1
185.11794	17.2
193.08389	32.6
197.11693	4.1
207.09956	45.9
209.07834	4.8
209.11790	4.7
209.14249	3.7
219.09990	8.1
223.13199	4.1
227.18013	8.1
229.19574	11.6
245.19118	19.6
253.10501	3.5
271.13168	9.8
275.20132	11.1
285.14691	20.6
291.19626	36.0
292.20230	5.5
293.15146	4.5
295.16727	10.9
297.18326	47.5
298.18750	4.1
311.16263	13.6
313.17877	89.6
314.18323	7.6
329.17325	100.0
330.17578	12.8
331.17987	11.3
373.19156	5.4
375.20377	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	391.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26376	1.5
52.88087	1.4
59.01262	7.3
59.01509	1.7
61.79063	1.3
71.05979	4.2
78.95777	4.3
129.07271	1.5
130.08636	31.8
152.99480	16.7
175.39217	1.6
255.23267	100.0
256.23608	7.0
270.24438	1.5
391.22586	7.7
391.27719	2.8
392.31781	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.21
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36920	2.3
57.03333	3.3
59.01253	48.3
66.09776	2.8
70.80045	4.6
70.80411	4.7
79.65018	2.3
98.20284	3.8
109.06517	2.7
111.08042	37.6
151.11157	5.9
165.12784	7.4
169.12247	8.6
193.08444	2.9
197.11754	100.0
198.12027	5.9
199.13382	3.2
211.13345	8.5
213.29285	2.5
217.00174	11.5
217.08318	3.4
219.09978	86.5
220.10254	5.5
233.11555	38.9
234.11812	2.8
237.09917	3.0
249.09679	3.0
251.11302	13.4
263.20135	2.9
265.18259	3.9
287.16251	3.4
291.19653	14.4
293.12357	17.9
309.20667	84.9
310.20978	6.3
331.18869	27.2
332.19339	2.9
375.17755	3.5
391.19955	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	391.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34436	1.8
57.03325	5.9
59.01252	36.0
69.03320	6.0
69.94725	1.7
70.04476	3.2
70.04823	8.9
81.14846	1.7
93.03336	3.6
99.92471	8.1
107.08546	3.2
111.08015	3.2
114.92342	1.8
119.08565	13.6
121.06478	2.9
121.10081	2.1
123.08089	2.4
125.09616	6.6
127.11212	4.3
135.08075	2.9
137.09625	51.3
138.09975	2.6
139.11218	5.0
149.39705	1.9
165.19800	1.9
167.10684	5.3
171.10185	100.0
172.10501	3.1
179.10498	3.1
183.10211	3.0
185.11760	23.9
186.12004	2.1
193.08388	17.4
197.11858	3.4
201.11311	6.8
202.53011	2.0
207.09972	82.1
208.10336	5.6
209.08046	2.1
213.11336	7.0
219.09865	4.7
225.09651	2.6
229.19543	2.4
233.11722	2.5
245.19049	5.7
253.09338	6.5
267.10794	3.0
273.18536	10.7
275.71899	2.1
291.19635	31.8
295.16718	3.3
309.20706	78.2
310.21057	7.4
313.17856	74.9
314.18100	8.1
331.17941	3.4
337.13382	3.0
340.25073	2.1
373.18927	3.1
391.20050	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	391.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74773	0.7
55.01752	2.4
57.03317	2.8
58.74122	0.9
59.01256	40.5
69.82082	4.5
71.01261	20.9
72.99187	1.7
73.02826	6.9
73.89607	0.8
75.00751	1.1
79.95617	3.7
83.01253	4.2
85.02827	12.7
85.06492	4.2
87.00732	1.8
89.02320	9.6
95.01257	1.8
97.06471	1.2
98.20557	1.1
99.00767	2.7
101.02328	16.1
113.02342	9.0
119.03410	3.2
131.03413	1.2
155.14339	8.2
161.04375	1.1
181.12219	1.0
183.13762	0.9
199.13335	36.3
200.13676	1.8
211.13368	1.5
283.76337	0.9
290.56488	0.9
390.12894	0.9
391.19748	100.0
392.20129	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	391.21
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74390	1.5
57.03330	4.9
59.01252	32.2
69.03331	4.6
70.52267	1.3
71.04936	1.5
71.16393	3.5
74.26013	1.4
81.42383	1.3
83.04912	3.3
85.06482	2.8
93.03350	2.7
95.04917	4.1
97.02832	39.0
97.06486	2.7
98.03150	1.1
99.92435	1.5
102.00027	1.3
109.06507	3.1
111.04365	1.6
125.09570	1.9
137.09636	10.0
141.78413	1.2
167.83650	1.2
171.10236	7.2
175.11104	2.1
177.12750	11.5
179.14360	2.4
179.26920	1.4
181.12233	1.5
193.08405	7.8
193.59543	1.3
195.13821	9.3
203.10606	1.4
205.12288	2.2
207.10031	1.8
210.00195	2.1
212.01797	1.8
217.00287	3.5
220.97401	1.5
221.15407	8.5
223.13242	6.4
233.11555	1.9
242.02841	1.6
243.10136	2.8
245.11563	100.0
246.11963	9.0
247.13246	1.5
247.20523	1.8
263.11304	3.0
273.18539	1.5
287.16501	2.4
291.19699	21.9
292.20038	2.2
305.12405	10.1
306.12631	1.7
307.14008	3.3
309.20700	76.1
310.20969	7.0
313.17838	4.0
331.18735	6.9
391.20016	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13247	0.7
59.01252	100.0
60.01591	0.9
61.18018	0.7
69.40460	0.7
70.89403	1.0
70.89761	1.9
72.02940	0.9
72.05206	0.7
76.52605	0.8
97.63800	0.7
98.20258	1.1
221.95837	0.7
223.82245	0.7
358.97626	0.7
408.60471	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1977
Annotation	Leu-Phe-Asn
Peak:m/z	Relative Intensity
53.74773	0.7
55.01752	2.4
57.03317	2.8
58.74122	0.9
59.01256	40.5
69.82082	4.5
71.01261	20.9
72.99187	1.7
73.02826	6.9
73.89607	0.8
75.00751	1.1
79.95617	3.7
83.01253	4.2
85.02827	12.7
85.06492	4.2
87.00732	1.8
89.02320	9.6
95.01257	1.8
97.06471	1.2
98.20557	1.1
99.00767	2.7
101.02328	16.1
113.02342	9.0
119.03410	3.2
131.03413	1.2
155.14339	8.2
161.04375	1.1
181.12219	1.0
183.13762	0.9
199.13335	36.3
200.13676	1.8
211.13368	1.5
283.76337	0.9
290.56488	0.9
390.12894	0.9
391.19748	100.0
392.20129	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	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.8
57.03332	0.7
58.00468	1.2
59.01253	100.0
60.01583	0.9
69.45853	0.9
69.46265	2.9
71.01256	20.5
72.99193	1.0
73.02828	10.5
75.00764	0.6
79.12101	0.4
83.01254	4.8
84.02036	0.5
85.02832	6.1
87.00777	1.8
89.02325	14.3
93.63701	0.5
95.01239	1.0
97.02847	0.4
99.00770	1.2
101.02322	18.0
102.02681	0.5
113.02334	9.4
113.03065	0.8
119.03387	5.5
125.02368	1.3
129.24342	0.5
131.03406	0.7
139.11208	0.6
143.03410	2.2
143.67371	0.4
149.04474	0.8
150.48755	0.4
151.11243	0.8
159.02959	0.5
161.04471	8.0
161.05794	0.5
175.25159	0.5
179.05562	2.6
187.13324	5.6
188.13803	0.6
202.57129	0.4
229.14412	0.6
253.14519	0.8
258.08795	0.4
331.17758	1.4
348.34512	0.5
349.18658	9.7
350.19138	0.8
391.26996	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	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14392	0.6
55.01746	0.8
57.03315	1.0
58.00460	1.1
59.01249	100.0
60.01561	0.9
68.28545	0.5
69.42250	4.8
69.42662	0.7
70.78047	0.7
71.01251	23.2
72.99184	1.9
73.02821	9.3
78.81149	0.5
83.01247	3.3
85.02820	5.2
87.00758	1.5
87.04398	0.9
88.03883	0.7
89.02312	16.5
95.01270	1.7
99.00765	1.4
101.02316	18.9
101.05971	0.7
102.08122	0.5
104.03406	0.6
108.02059	0.8
109.02870	0.8
113.02321	10.7
115.00272	0.8
119.03371	7.2
123.00758	0.6
125.02326	0.9
129.10234	1.5
131.03444	0.9
135.97784	0.5
137.02364	1.2
143.03400	1.6
149.02364	0.9
149.04454	1.0
153.21391	0.7
161.04469	6.8
163.03986	1.4
164.04768	1.7
169.01428	0.7
172.81630	0.6
175.54681	0.7
176.11194	0.6
179.05515	3.6
184.46104	0.5
185.11845	0.7
187.13335	5.7
187.14914	0.9
191.03487	0.8
192.04305	1.3
193.05080	0.6
207.06567	3.4
208.06931	0.7
229.05106	0.9
276.17218	1.0
295.06107	0.7
331.17560	8.1
332.18027	0.7
343.11710	3.8
349.18655	18.8
350.19177	2.4
391.19730	4.0
392.18512	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74773	0.7
55.01752	2.4
57.03317	2.8
58.74122	0.9
59.01256	40.5
69.82082	4.5
71.01261	20.9
72.99187	1.7
73.02826	6.9
73.89607	0.8
75.00751	1.1
79.95617	3.7
83.01253	4.2
85.02827	12.7
85.06492	4.2
87.00732	1.8
89.02320	9.6
95.01257	1.8
97.06471	1.2
98.20557	1.1
99.00767	2.7
101.02328	16.1
113.02342	9.0
119.03410	3.2
131.03413	1.2
155.14339	8.2
161.04375	1.1
181.12219	1.0
183.13762	0.9
199.13335	36.3
200.13676	1.8
211.13368	1.5
283.76337	0.9
290.56488	0.9
390.12894	0.9
391.19748	100.0
392.20129	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	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37634	0.5
54.32597	0.5
59.01254	100.0
60.01591	1.0
63.87339	0.6
68.63711	0.5
71.01258	0.7
88.21182	0.5
94.81141	0.5
98.19910	2.7
98.20595	0.9
100.29074	0.5
113.97504	0.6
208.74327	0.5
229.36913	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.7
56.87146	0.5
57.03330	2.0
58.00472	1.2
59.01255	100.0
60.01598	1.3
66.38384	0.7
70.13091	2.7
71.01260	16.8
72.99205	1.4
73.02814	3.7
75.00755	0.7
80.11994	0.6
83.01277	2.6
85.02825	7.2
87.00769	1.3
87.04423	1.2
89.02319	16.7
95.01283	1.0
98.20500	0.8
99.00805	1.1
101.02328	11.2
113.02335	7.5
116.04918	0.6
117.99255	0.6
119.03384	7.1
125.02361	2.5
131.03395	1.6
135.04584	0.6
137.02382	1.3
137.09642	1.2
143.03419	1.1
146.43732	0.6
149.04443	0.7
161.04501	3.2
173.11719	0.7
176.56802	0.6
179.05534	3.1
223.67487	0.8
243.12524	1.1
331.17581	3.1
391.19565	8.3
391.27365	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	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.7
56.87146	0.5
57.03330	2.0
58.00472	1.2
59.01255	100.0
60.01598	1.3
66.38384	0.7
70.13091	2.7
71.01260	16.8
72.99205	1.4
73.02814	3.7
75.00755	0.7
80.11994	0.6
83.01277	2.6
85.02825	7.2
87.00769	1.3
87.04423	1.2
89.02319	16.7
95.01283	1.0
98.20500	0.8
99.00805	1.1
101.02328	11.2
113.02335	7.5
116.04918	0.6
117.99255	0.6
119.03384	7.1
125.02361	2.5
131.03395	1.6
135.04584	0.6
137.02382	1.3
137.09642	1.2
143.03419	1.1
146.43732	0.6
149.04443	0.7
161.04501	3.2
173.11719	0.7
176.56802	0.6
179.05534	3.1
223.67487	0.8
243.12524	1.1
331.17581	3.1
391.19565	8.3
391.27365	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	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.8
57.03321	1.8
58.00476	1.1
59.01251	100.0
60.01600	0.9
65.99722	2.3
66.04189	0.7
69.03342	1.2
69.76690	1.7
69.77100	2.3
71.01252	24.9
72.99191	1.2
73.02820	12.3
75.00765	1.0
79.92896	0.7
81.03360	0.9
83.01256	6.2
85.02827	7.3
87.00777	1.4
87.04417	1.1
89.02319	14.9
93.03342	0.7
95.01275	3.2
97.02870	1.4
98.20566	0.7
99.00750	3.8
101.02327	17.5
107.01267	0.7
109.02863	1.6
111.00781	2.3
113.02329	14.4
115.78829	0.8
119.03387	5.9
120.87053	0.7
121.02885	0.8
123.00799	2.4
125.02338	4.0
131.03397	1.5
135.04414	0.9
137.02368	2.6
139.00284	3.0
141.01833	5.0
143.03438	1.8
149.02373	1.8
151.00304	1.5
151.04019	0.6
153.01826	3.7
161.02423	1.0
161.04477	6.1
163.00296	0.7
165.01825	1.6
166.99831	1.9
167.03430	1.5
168.00594	2.3
169.01309	1.1
175.00345	0.7
176.03403	1.0
177.01952	1.3
178.01350	1.6
178.99779	3.1
179.05542	1.5
180.03070	0.7
187.13324	8.3
188.13615	0.7
192.02924	1.0
193.01379	2.9
193.15794	0.7
194.99353	2.5
195.99661	0.9
197.00903	3.7
203.03668	0.7
205.01477	0.8
209.00871	1.7
220.02528	0.8
232.02548	0.9
250.03578	1.7
331.17664	7.1
349.18716	14.2
349.22998	0.8
350.19186	1.1
356.04257	1.2
374.05283	1.6
391.19839	2.5
392.06314	1.9
406.57846	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01598	1.1
63.64195	0.6
67.73813	0.5
69.82863	3.1
71.01259	5.5
73.02814	1.3
81.96064	0.5
85.02804	1.2
89.02314	3.5
94.57575	0.5
98.19876	0.9
101.02321	3.4
113.02351	2.2
119.03426	1.4
161.04497	2.6
229.04970	3.3
252.86861	0.5
264.05402	0.6
331.17731	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17249	2.9
57.03309	4.7
59.01254	99.9
69.73743	12.6
69.74172	9.5
71.01257	55.6
71.01620	5.3
72.01664	3.3
72.99191	3.5
73.02821	10.3
75.00760	3.1
83.01282	5.0
85.02839	24.7
87.00738	3.1
89.00282	2.9
89.02315	50.7
95.01257	5.8
97.06482	3.7
99.00748	3.5
101.02320	37.2
107.04924	28.2
113.02324	19.3
119.03382	21.5
121.02850	10.2
122.03625	20.6
132.02957	4.2
137.02370	5.7
139.11215	5.5
141.09131	6.8
143.03319	4.0
161.04480	11.7
167.14336	31.2
179.05573	8.2
184.86212	3.5
187.13393	6.7
195.27708	3.0
195.88435	2.9
211.13280	21.0
229.08681	100.0
230.09012	12.6
251.23294	3.0
331.17477	8.7
349.18661	9.7
391.19681	19.4
391.27188	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	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.1
57.03327	1.4
58.00454	1.1
58.33705	0.5
59.01251	100.0
60.01584	1.2
69.03324	0.9
69.52266	4.2
71.01254	22.6
71.04924	0.4
72.99197	1.3
73.02810	9.4
73.03180	0.6
75.00759	0.8
78.78416	0.5
80.52480	0.4
83.01252	3.6
85.02821	5.1
86.03117	0.5
87.00756	2.0
87.04417	0.7
89.01752	0.8
89.02319	15.1
95.01287	1.0
99.00756	1.0
99.43278	0.5
101.02326	16.0
111.00779	0.6
113.02333	7.2
119.03390	5.3
123.00770	0.5
125.02364	1.9
131.03378	1.5
131.43050	0.4
135.04451	0.7
139.00267	0.5
140.00922	0.4
143.03433	1.8
149.04475	0.7
159.02969	0.6
161.04445	5.1
166.99770	0.5
168.00627	0.7
169.01462	0.5
178.99745	0.4
179.05548	3.1
185.11682	0.6
187.13307	6.6
211.02505	0.5
331.17700	2.1
349.18668	9.8
350.19006	1.1
391.19583	1.0
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
50.08665	0.6
50.18264	0.6
57.92202	0.6
59.01251	100.0
60.01581	0.9
60.20555	0.6
61.93330	0.6
71.01263	2.3
71.10533	0.7
73.02830	1.4
75.00767	0.6
83.01284	0.7
88.87560	0.7
89.02306	0.8
101.02329	1.3
113.02346	1.3
161.04547	0.8
295.38159	0.6
339.13312	0.7
347.27945	0.7
391.19180	1.2
391.56635	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22858	0.5
57.03320	0.9
59.01251	100.0
60.01583	1.2
69.44192	4.4
71.01253	8.3
73.02833	2.2
76.64198	0.6
82.78844	0.6
83.01257	1.1
84.56391	0.5
84.83250	0.5
85.02825	3.1
87.00750	0.6
89.02332	1.9
89.87392	0.5
95.01278	0.6
97.88449	0.5
98.19675	0.6
98.47097	0.5
101.02312	5.5
107.04991	0.6
109.01604	1.3
113.02351	2.6
119.03365	0.6
120.10825	0.6
121.02787	0.7
125.02370	0.6
139.99309	0.6
148.79829	0.5
149.02420	0.8
150.03200	0.7
151.03899	0.7
154.00806	0.6
159.02931	0.9
161.04474	6.4
162.05550	1.1
165.05498	1.1
166.06268	3.8
181.08603	3.0
182.02258	1.1
183.02922	5.0
184.03310	2.2
188.12982	0.6
195.06599	0.5
200.33440	0.5
210.07759	1.1
227.07193	1.1
228.27293	0.5
238.07245	0.6
261.05988	1.4
305.04919	4.0
331.17618	5.1
350.18188	0.5
357.14355	0.9
366.72235	0.6
374.17169	0.7
391.15182	0.8
391.19931	2.4
392.08096	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.4
55.02021	0.4
57.03332	0.7
59.01253	100.0
60.01595	1.6
62.29827	0.4
65.03724	0.4
71.01257	13.0
72.94986	0.5
72.99194	0.6
73.02825	3.7
75.00777	0.4
83.01266	1.7
85.02823	6.7
85.99930	0.5
87.00761	1.2
89.02319	2.8
89.43475	0.4
95.01294	0.6
98.19823	0.9
99.00783	1.5
101.02325	11.5
111.00809	0.8
113.02338	5.6
119.03420	1.1
125.02305	0.7
129.01813	0.8
130.06003	0.4
140.50806	0.5
143.03430	0.4
145.02893	1.0
151.00250	0.5
159.02956	1.7
161.04472	7.0
181.31790	0.4
205.03496	0.5
229.05061	3.9
229.18066	1.2
294.02710	0.4
331.17557	2.2
391.19296	0.7
391.23480	6.8
392.23642	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.161
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	9.4
58.00461	3.9
59.01250	100.0
60.99189	1.9
71.01252	42.2
72.99199	2.3
73.02812	2.8
79.05386	3.0
83.01244	2.0
85.02831	6.8
89.02316	46.1
95.01230	2.3
97.02828	27.6
98.03609	6.9
99.04387	22.3
100.74441	1.9
101.02321	23.2
101.18167	1.3
111.04379	7.6
113.02325	18.0
119.03381	17.6
143.03398	2.4
149.04419	2.4
149.09633	16.2
161.04498	4.1
167.10696	21.7
179.05502	7.2
211.09709	33.8
212.09943	2.2
217.83357	1.5
229.33054	1.8
243.16185	1.5
306.74228	1.4
331.17773	1.9
391.15964	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	389.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39103	10.0
51.57516	11.0
59.01238	14.0
70.18652	50.3
84.19538	10.4
104.92480	10.6
130.08640	100.0
161.56573	11.1
333.13794	10.9
368.99039	12.8
390.30237	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98364	10.4
59.01255	100.0
62.95583	10.7
68.70107	12.7
70.56029	36.1
83.60203	9.3
108.13044	11.4
132.76212	11.4
178.25240	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	391.1034
Annotation	Garcimangosone D
Peak:m/z	Relative Intensity
50.58724	0.4
59.01252	6.2
63.02272	1.1
65.00194	7.9
71.01246	1.1
71.57391	0.4
71.57813	0.8
77.94731	0.4
82.21410	0.3
83.01261	4.5
85.02811	0.5
89.02299	0.7
97.02824	0.4
101.02311	1.1
106.36810	0.4
107.01267	10.6
115.05401	0.5
115.83400	0.4
119.04913	4.1
121.02840	2.0
121.37527	0.5
125.02320	1.6
143.04919	4.1
145.02850	12.3
145.44266	0.4
146.03188	0.7
149.02327	0.5
151.00272	20.9
152.00627	0.7
157.06487	1.0
161.06000	3.9
185.05997	8.4
215.06892	0.4
225.05540	1.2
227.03276	0.4
229.05008	100.0
230.05321	6.7
253.05052	1.0
271.06241	1.9
296.32813	0.4
312.58060	0.4
337.07434	0.4
391.10309	4.0
409.78049	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40418	1.9
52.68764	2.0
57.03299	3.0
59.01253	45.4
61.98705	15.3
62.54179	1.7
64.48298	1.7
70.75152	3.7
70.75544	3.5
71.01273	9.4
71.01596	1.9
72.99182	2.1
73.02815	2.8
75.00748	2.8
80.15205	1.8
85.02821	4.0
89.02331	5.1
98.02352	4.1
101.02319	3.0
107.04900	2.8
108.02041	15.2
109.02858	2.9
113.02351	4.1
121.02830	3.3
122.03592	1.9
123.04417	13.9
125.02337	2.6
135.04414	31.5
136.05150	7.3
137.02354	5.0
138.03098	4.2
145.02902	2.0
147.04399	3.3
149.02361	5.4
149.05945	2.3
150.03125	13.9
151.03825	1.7
161.02313	2.1
161.04436	2.5
162.03128	5.3
163.03915	52.1
164.03444	3.3
164.04710	43.3
165.05402	7.2
166.02605	2.1
167.03346	6.2
175.03958	1.7
176.04739	11.2
177.05478	4.8
178.02646	5.9
178.06221	7.1
179.03345	2.7
179.07057	8.1
186.04221	3.1
191.03448	18.0
192.04196	22.0
193.04967	4.2
195.06505	6.0
196.03694	4.0
200.05663	4.2
201.06500	7.7
204.04199	4.9
206.05765	4.3
207.06564	100.0
208.06931	6.3
210.05247	9.8
216.08861	24.5
219.06549	18.0
229.06064	4.7
237.07568	2.9
238.06317	2.6
240.04309	7.0
244.08350	20.5
255.06577	2.9
267.06567	5.7
283.06006	3.1
295.06155	9.9
298.08701	6.9
299.09195	2.1
300.10065	2.5
310.08365	5.8
313.07156	5.9
313.10767	6.5
319.21194	2.6
325.10779	10.4
328.09537	3.3
343.11868	80.1
344.12311	9.8
391.09531	3.1
391.13901	7.1
391.19443	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	389.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08799	3.7
59.01255	39.7
65.03837	56.0
69.26768	6.7
69.27108	38.7
71.04890	32.7
72.99168	3.2
74.11387	3.4
74.15207	3.0
77.93327	3.9
79.89668	3.3
79.95609	22.0
81.75132	3.4
83.04920	4.5
93.03304	7.1
95.95131	3.9
96.95892	56.5
97.06464	60.4
98.06808	4.8
119.08568	10.2
121.06488	100.0
123.07985	6.9
125.09615	48.6
131.91791	3.7
139.11169	6.2
163.11310	3.6
174.44867	3.3
185.11748	62.7
186.12134	4.3
189.12772	24.4
207.09969	95.5
209.11775	35.0
211.13303	29.3
220.56044	3.5
235.13353	68.9
235.15549	5.4
236.13780	4.4
257.11588	83.5
289.18039	24.5
307.19144	44.8
308.19363	3.8
311.16241	9.3
322.65656	3.7
329.17029	83.0
330.16864	4.3
364.13367	4.1
374.11832	4.5
389.10382	7.6
389.16422	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97615	73.5
92.56776	86.6
109.35484	94.8
149.78500	88.0
152.99493	100.0
168.14413	70.8
397.59433	82.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53981	1.5
55.64231	1.7
59.01251	13.4
71.01234	1.9
71.04886	7.0
71.39244	2.1
73.02827	1.7
81.03355	1.6
83.04898	2.8
93.03339	6.1
95.01202	2.0
95.04916	2.6
96.95847	1.9
99.92422	2.4
106.04131	2.8
109.02846	2.0
109.06463	13.1
111.04411	14.4
111.08027	1.7
121.06481	3.5
127.07512	2.4
145.06407	1.7
149.05971	6.4
151.11227	1.7
167.10625	2.3
192.93401	1.7
195.13817	4.5
203.17712	1.5
215.10275	1.8
217.12039	3.0
233.15596	2.3
241.25049	1.8
243.17665	1.9
245.19106	4.9
248.09694	1.8
249.11125	4.4
257.11612	9.4
261.18430	1.8
279.11932	1.6
287.16504	2.1
289.18085	100.0
290.18381	8.7
300.13382	3.0
307.19144	6.7
311.16293	7.3
329.17188	67.2
330.17084	5.7
389.16290	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	389.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37229	1.7
55.66067	2.1
57.03316	5.9
59.01250	48.1
62.03408	1.8
69.03328	3.0
70.72325	3.0
70.72667	4.5
71.01223	1.7
75.00736	2.1
75.12921	1.8
80.02550	3.9
81.03324	6.5
82.43006	1.8
83.01253	11.4
83.04881	5.0
93.03310	2.4
95.04903	3.8
97.02860	5.0
97.06452	11.1
97.26093	2.0
98.20444	2.2
121.02843	3.7
121.40741	2.3
123.04411	9.9
123.08016	3.2
125.05976	2.5
125.09605	17.8
129.47995	2.4
135.08044	3.6
137.09630	8.6
153.59332	1.9
159.08096	2.7
163.11194	21.9
165.12761	8.5
166.13255	2.4
167.10770	2.4
171.10233	3.4
175.07323	2.6
181.12305	4.4
185.11766	18.2
191.10678	3.0
191.14355	20.9
197.11678	2.6
207.10207	14.4
209.11765	75.6
210.12102	6.8
217.15903	4.0
225.11290	9.8
231.09987	58.6
233.11552	5.7
239.04193	2.5
245.19080	45.0
246.19380	4.3
249.10870	1.9
254.85730	2.1
271.16949	5.0
285.18393	3.5
289.18082	100.0
290.18430	10.7
291.11807	3.9
291.19604	3.3
307.19150	43.9
308.19513	5.4
317.17261	4.9
329.17020	10.0
389.10355	2.3
389.19440	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	2.5
56.64687	1.5
57.03339	2.1
58.00485	1.6
59.01252	100.0
61.31944	1.6
71.01254	22.6
71.59900	2.1
72.99184	1.7
73.02822	6.5
80.96416	1.9
83.01250	3.2
85.02827	8.1
86.33671	1.6
89.02312	5.2
93.92175	1.7
95.01250	2.6
99.00744	4.1
101.02329	20.2
113.02344	9.0
128.30127	1.4
133.02859	2.3
157.93614	1.5
161.04469	6.9
167.10698	33.3
178.02606	3.3
199.00191	1.4
230.39365	1.5
389.16403	2.8
389.21701	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	389.1818
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
50.60301	0.8
57.39358	0.8
58.00464	1.0
59.01252	99.8
67.63894	0.9
71.01255	17.5
71.57722	1.1
72.99178	1.6
73.02827	6.2
75.00729	0.9
83.01272	2.5
85.02826	6.4
85.99911	0.9
87.00757	1.2
89.02333	8.1
95.01265	1.9
95.04892	1.2
97.06465	1.2
99.00765	2.6
101.02323	12.2
109.06462	1.8
111.00804	1.4
113.02309	7.0
113.85346	0.8
115.07558	1.3
116.04930	1.0
119.03387	3.1
122.06010	10.8
125.02335	0.9
126.94064	0.8
139.07544	1.6
144.04425	2.7
149.09583	1.1
161.04468	1.6
162.05510	6.4
163.06262	0.9
163.72835	0.9
179.02087	1.0
185.11778	2.1
191.59831	1.0
197.11716	1.0
217.72913	0.9
227.12885	1.1
267.11353	2.2
285.12482	12.4
286.12708	1.1
329.15942	1.7
347.17154	1.7
371.17224	1.9
373.56091	1.0
389.18167	100.0
390.18506	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36361	0.6
55.01757	2.7
57.03327	2.1
58.00469	2.8
59.01255	100.0
60.01587	1.4
61.71321	0.6
69.03349	0.8
69.50846	5.7
71.01257	47.5
72.99192	4.2
73.02824	9.9
75.00759	1.2
76.61639	0.7
81.03348	0.6
83.01257	6.3
84.02029	0.7
85.02830	21.2
87.00738	3.8
89.02319	29.1
95.01283	3.7
97.02826	0.9
99.00779	4.5
99.04375	0.7
101.02331	31.4
101.48190	0.7
109.02886	1.1
111.00781	0.9
113.02338	20.2
114.02681	1.2
119.03385	12.2
125.02368	2.0
129.01877	2.3
130.11333	0.6
131.03448	1.6
134.03662	1.0
135.04475	0.9
139.00253	0.7
143.03441	2.1
144.66737	0.6
147.11661	0.8
149.02335	0.9
149.04469	0.8
152.08363	3.1
153.09138	1.1
159.02946	2.7
161.04466	19.3
161.05827	1.0
165.01862	0.6
165.05518	0.8
167.10722	5.1
179.05524	4.1
186.80450	0.7
193.04938	1.1
195.06595	0.7
205.03517	1.5
209.11870	1.0
213.09267	0.8
227.16597	1.6
231.10277	1.0
257.08292	2.2
281.44574	0.7
285.56845	2.3
286.07065	0.7
310.51501	0.8
329.16321	1.8
347.17279	1.1
359.11517	1.5
374.13937	1.3
389.17450	3.1
389.21991	15.5
390.22513	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	389.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	4.0
57.03326	3.1
58.00467	1.1
59.01249	100.0
59.85929	0.6
60.01581	1.1
69.03325	1.2
69.61258	0.7
71.01254	39.3
71.04896	1.6
71.44379	1.3
72.99182	1.7
73.02818	13.3
75.00752	2.0
81.03358	0.7
83.01247	7.6
85.02820	23.0
87.00738	1.6
89.02296	3.7
95.01263	3.8
97.02827	1.9
97.06484	1.6
99.00755	6.3
101.02318	32.6
102.02634	0.8
111.00783	1.5
111.08028	0.8
113.02322	15.2
113.03062	1.1
113.70515	0.7
119.03423	1.5
125.02345	4.5
129.01787	0.9
134.03618	1.4
139.00285	1.0
139.07588	0.9
143.03400	3.6
144.83266	0.7
150.03119	1.4
159.02916	4.5
161.04463	16.4
165.01878	0.9
165.05411	1.1
167.10641	1.0
178.99947	0.7
183.02919	21.1
185.11763	7.0
193.05026	1.9
201.04059	0.7
206.00780	0.7
227.12871	5.7
229.10881	1.2
238.07178	6.3
281.14035	1.0
308.91443	0.8
329.16077	8.4
347.17096	62.8
348.17419	4.6
389.12460	1.9
389.18152	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	389.1242
Annotation	Resveratroloside
Peak:m/z	Relative Intensity
59.01254	5.3
61.56803	0.3
62.23522	0.3
69.25452	0.3
69.73265	2.6
71.01261	4.4
72.99174	0.4
73.02825	1.7
79.99756	0.4
83.01248	0.9
85.02836	1.9
89.02328	2.0
94.19980	0.4
99.00745	0.6
101.02312	4.0
113.02370	1.9
117.03394	0.4
119.03398	0.8
119.04924	1.1
141.06998	0.9
143.04932	8.3
144.05177	0.4
145.02837	0.6
152.54247	0.4
157.06529	2.0
159.08078	2.7
161.04439	1.2
166.05081	0.4
167.23572	0.4
172.05066	0.4
181.06499	1.0
182.07310	1.3
183.08040	3.0
185.06012	13.2
186.06372	0.8
187.07475	0.5
225.05453	0.5
227.07095	100.0
228.07443	7.3
229.73524	0.4
257.08105	0.5
257.14322	0.4
389.21536	0.7
399.13220	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40366	0.6
51.82527	0.6
55.01752	3.1
57.03328	1.4
58.00469	1.3
59.01249	100.0
60.01569	0.6
62.33911	0.6
71.01250	26.5
71.34199	0.9
72.99183	1.4
73.02817	9.1
75.00754	1.0
75.47334	0.6
81.03327	0.8
81.66464	0.5
83.01247	5.8
85.02822	11.6
87.00751	1.8
89.02319	10.7
95.01283	2.7
95.04913	0.6
97.02842	1.1
97.06466	1.3
99.00757	2.9
101.02320	23.5
109.25050	0.6
111.00786	0.8
113.02322	12.2
113.05960	2.4
119.03397	4.8
125.02363	2.3
131.03406	0.6
143.03421	3.2
159.02956	1.4
161.04448	6.8
162.61472	0.6
169.08600	1.3
179.05577	1.3
185.11806	3.4
227.12839	5.2
245.14087	0.7
247.29865	0.6
264.02170	0.6
281.13889	1.1
329.15985	8.3
330.16544	0.6
347.17084	43.0
348.17453	3.1
372.43564	0.6
389.18243	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	100.0
71.49693	90.0
101.02340	40.0
114.67351	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	387.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
69.18729	2.9
70.17190	5.4
70.17603	10.2
72.99188	16.5
73.02796	6.2
75.00748	81.9
77.75104	2.9
98.19791	3.2
137.35007	2.9
169.79359	2.9
305.91864	3.0
363.76230	2.9
387.31174	100.0
388.31424	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	388.1767
Annotation	Epistephamiersine
Peak:m/z	Relative Intensity
50.58143	0.6
50.75003	0.6
57.03327	2.6
58.02849	9.3
59.01253	14.7
63.91816	0.7
66.01196	0.8
68.35144	0.7
70.02857	2.8
71.01264	2.8
71.57699	1.5
72.00784	8.7
72.04438	2.9
72.71105	0.7
83.04906	2.1
87.00755	2.6
89.02325	0.9
91.05406	1.6
97.31063	0.8
113.02328	1.0
116.97148	0.7
118.06513	12.6
119.08575	0.8
121.06483	1.5
133.10126	1.4
135.08092	1.7
137.09656	2.4
147.04424	42.8
148.04761	1.4
149.02318	0.9
161.09636	3.5
164.07083	100.0
165.07454	4.1
179.10728	2.1
187.11176	0.8
205.08549	1.1
206.08150	23.2
207.08508	1.4
223.09712	8.8
225.14989	1.2
226.07950	2.5
226.15381	1.0
241.10760	1.0
266.15311	1.1
282.18863	1.7
300.16083	4.1
326.17636	7.9
327.17700	1.0
328.15558	15.6
329.15698	1.2
344.18729	8.7
345.19052	1.7
370.16504	3.0
388.17578	62.8
389.17825	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	387.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	2.2
57.03327	7.4
58.00481	2.2
59.01253	41.4
60.01585	0.5
69.03336	0.9
69.53722	3.0
71.01254	57.8
71.04890	3.1
72.01588	0.7
72.99169	3.4
73.02819	11.2
75.00759	1.3
81.03332	1.6
83.01257	5.5
85.02824	19.9
87.00748	2.4
89.02319	25.8
95.01263	4.3
95.04912	2.3
96.95892	0.8
97.02821	4.4
99.00765	5.6
99.04375	0.7
99.08038	0.6
99.15134	0.4
100.83822	0.4
101.02325	29.5
102.02652	0.5
109.02855	0.6
109.06474	1.7
111.04401	1.9
113.02335	23.5
113.05972	1.0
113.09613	0.4
119.03385	9.8
121.06480	0.5
122.03627	0.6
123.04410	1.4
123.08096	1.8
125.02335	5.0
125.05958	0.5
125.57635	0.4
129.01846	0.6
131.03368	1.3
135.08051	0.8
136.05225	0.5
137.05934	0.7
137.09592	2.3
138.06770	27.7
138.56688	0.3
139.00275	0.5
139.03796	0.4
139.07133	0.9
143.03403	2.8
149.04489	0.6
149.09619	0.7
150.06831	0.5
151.07578	1.0
152.08261	0.5
153.09123	69.6
154.09459	2.7
159.02908	4.1
161.04475	15.1
161.05826	0.7
162.04883	0.6
163.11191	1.1
165.12776	0.8
167.03371	1.9
169.01393	0.4
179.05568	2.3
183.02858	0.9
192.11531	0.4
205.03426	0.8
207.06560	0.5
207.13858	6.5
225.07657	8.6
225.14922	100.0
226.08015	0.6
226.15297	6.8
245.09245	0.5
336.14603	0.5
346.67719	0.4
387.12631	0.7
387.16049	0.7
387.20337	9.0
388.20364	0.5
392.31516	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	2.8
55.83538	0.3
57.03319	6.4
58.00458	2.0
59.01251	47.8
60.01585	0.4
68.99655	0.4
69.03338	0.5
69.53751	2.2
71.01251	62.3
71.04888	3.3
72.01590	1.0
72.99178	3.4
73.02817	11.4
74.02358	0.5
75.00764	1.1
81.03324	2.4
83.01252	6.7
84.02055	0.6
85.02821	21.7
87.00758	2.6
89.02316	30.2
90.91299	0.3
91.91615	0.3
95.01265	4.8
95.04916	2.1
96.95857	0.5
97.02831	3.6
98.03630	0.5
99.00754	5.6
99.08053	0.5
101.02320	35.1
103.11691	0.4
107.04910	0.4
109.06482	2.2
111.00761	0.8
111.04413	1.8
113.02329	24.2
113.05956	0.4
114.02661	0.6
119.03391	10.1
121.06477	0.4
122.03671	0.4
123.00761	0.5
123.04400	2.2
123.08044	2.0
125.02333	7.0
125.05953	0.8
125.85376	0.4
129.01807	0.9
131.03391	1.1
135.08049	0.7
136.05203	0.9
137.05994	0.8
137.09587	2.7
138.06764	28.8
139.00278	0.6
139.07196	1.2
143.03418	2.9
145.65277	0.3
149.04443	1.2
149.09547	0.5
150.06798	1.0
151.07556	1.0
152.08365	0.7
153.09114	64.4
154.09445	3.2
155.10605	0.9
159.02892	3.9
161.04462	17.8
163.11221	0.7
165.12730	1.0
167.03410	4.6
169.01279	0.5
179.05565	2.0
183.02859	0.8
192.11572	0.6
195.13869	0.6
197.15361	0.4
205.03471	0.7
207.06439	0.8
207.13847	6.8
225.07643	10.8
225.14906	100.0
226.08035	0.5
226.15250	5.9
245.09334	0.4
249.59468	0.4
253.59715	0.4
267.08694	0.5
387.12634	0.8
387.20224	23.2
388.20511	2.4
393.06000	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	2.1
57.03328	5.9
58.00474	1.3
59.01253	31.9
69.03340	0.3
69.61353	0.8
69.61783	1.2
71.01255	50.8
71.04890	3.4
72.01577	0.8
72.99181	2.0
73.02824	11.3
75.00746	0.7
81.03327	1.3
83.01255	4.2
84.02062	0.4
85.02825	18.2
86.03197	0.4
87.00742	2.2
89.02320	20.5
93.03347	1.1
95.01266	4.3
95.04890	1.9
97.02816	3.0
98.03628	0.3
98.20428	0.6
99.00755	4.6
99.04411	0.4
99.08018	0.7
101.02327	29.8
102.02652	0.3
109.02853	0.3
109.06490	1.9
110.18771	0.3
111.00770	0.5
111.04385	1.8
113.02335	22.2
113.05946	0.7
113.09592	0.6
114.02664	0.6
119.03391	7.1
121.06512	0.3
122.03646	0.6
123.08055	1.5
125.02351	2.3
125.05998	0.5
129.01833	0.8
131.03427	0.8
135.08072	0.9
136.05194	0.6
137.02348	2.1
137.05994	0.5
137.09615	2.3
138.06769	27.4
139.07188	1.1
143.03426	2.1
149.09669	0.5
150.06763	0.6
151.07516	0.4
152.08278	0.6
153.09123	70.2
154.09488	3.0
155.10690	0.6
159.02908	3.3
161.04468	17.3
161.90857	0.3
162.04762	0.7
163.11256	0.8
165.12775	1.0
179.05565	2.0
192.11490	0.4
205.03470	0.5
207.13858	5.9
208.14081	0.3
225.07722	2.7
225.14914	100.0
226.15263	6.1
249.06264	0.3
273.53516	0.3
322.83237	0.3
345.14496	0.6
369.19165	1.1
387.20355	3.4
388.20380	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34001	0.5
54.88765	0.5
55.01764	0.7
57.03329	1.2
58.00469	2.0
59.01253	90.9
60.01596	1.2
69.51550	1.0
69.51944	4.4
71.01258	24.0
72.99171	2.9
73.02814	1.6
73.99676	0.5
75.00741	0.6
83.01251	1.7
83.04903	0.7
85.02823	7.1
87.00743	1.2
89.02319	22.7
95.01273	1.8
96.96835	1.5
101.02327	14.0
109.02869	0.7
113.02331	10.1
114.87653	0.5
119.03393	8.7
125.02369	1.4
134.03629	0.8
137.02376	0.7
137.06006	0.7
141.01880	0.6
149.04480	0.6
151.00259	0.9
151.03914	1.7
153.01811	0.7
161.04510	0.9
163.11205	6.1
164.11531	0.6
179.05501	0.8
181.04930	2.7
182.08203	0.5
188.64030	0.7
195.05074	0.8
207.10205	16.0
208.10570	1.1
225.14951	0.7
226.07101	0.7
387.16595	100.0
388.16962	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	387.1662
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
50.41261	0.5
57.03324	1.8
58.00474	1.9
59.01255	100.0
59.65186	0.5
60.01184	0.4
60.01581	1.1
65.66434	0.4
70.74380	0.8
70.74753	1.2
71.01259	25.6
72.99179	2.4
73.02829	2.2
81.03343	1.6
83.01270	2.6
83.04954	0.6
85.02828	6.0
87.00774	1.2
89.02324	20.5
95.01291	2.1
95.04901	0.9
97.02854	0.8
99.00774	1.3
101.02329	16.4
101.12191	0.4
109.02867	0.6
109.06488	0.6
113.02336	9.4
113.03070	0.8
119.03389	10.4
121.06523	0.6
121.48015	0.5
123.04372	0.5
125.02366	6.5
129.01854	0.6
134.03682	1.0
137.02373	0.6
137.05988	0.9
137.09575	2.3
143.03345	0.7
147.08081	0.8
149.04451	0.7
161.04471	2.3
161.05893	0.5
163.11201	18.6
163.61974	0.6
164.11504	0.9
179.05548	1.2
181.05061	3.2
181.08653	0.5
189.12799	1.8
193.05090	0.8
205.01483	0.6
205.03543	0.5
207.06612	1.1
207.10210	5.0
207.13846	1.1
209.11847	0.7
225.07646	17.1
225.11263	1.9
225.14925	2.5
226.07939	1.1
255.08707	0.8
295.53531	0.6
298.04651	0.5
343.11777	0.8
387.16595	93.7
388.16888	10.0
409.75192	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28673	1.0
57.03320	2.0
58.00465	1.5
59.01253	100.0
71.01255	24.3
71.30379	1.1
72.99175	3.1
73.02816	1.7
83.01250	1.4
85.02813	7.2
87.00755	1.1
89.02316	19.0
95.01268	1.7
101.02325	16.1
106.06340	1.0
113.02300	6.6
115.23308	1.0
119.03391	6.9
125.02283	2.3
132.02982	1.1
151.03882	3.5
163.11198	41.8
164.11502	2.3
165.05493	3.7
177.01880	2.0
192.04192	2.7
207.06538	6.4
207.10246	1.6
209.60345	1.2
223.18755	1.1
225.07668	15.3
229.56104	1.5
271.36130	1.0
387.16605	93.7
388.17126	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	387.1661
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
50.75753	0.5
57.03343	0.7
59.01252	100.0
60.01585	1.3
70.71732	1.7
71.01257	8.3
72.31638	0.5
72.99181	0.7
73.02815	1.5
83.01260	0.8
85.02826	4.4
87.00735	0.6
89.02306	4.0
93.03350	0.5
95.72241	0.5
99.00770	0.7
101.02328	4.8
101.45826	0.4
103.94630	0.5
106.04105	0.7
108.02082	0.6
113.02332	3.7
119.03407	1.2
121.06620	0.5
125.02361	0.5
151.03951	0.6
159.02986	0.5
161.04492	6.5
163.11198	12.4
164.11475	0.7
165.05496	1.0
165.09123	18.9
166.09486	0.8
167.03481	0.5
225.07623	3.7
243.84740	0.5
383.87759	0.5
387.11578	1.1
387.16602	21.0
388.16983	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	387.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	2.7
59.01250	9.0
69.03338	0.9
69.26244	9.9
71.01258	2.2
73.02823	2.7
81.03340	3.0
83.01257	4.7
83.04901	0.9
85.02807	1.6
86.83691	0.7
93.03331	2.7
95.04414	0.8
95.04891	4.6
97.02837	8.8
97.06487	0.9
98.19846	2.3
98.20537	2.4
101.02318	1.4
107.04885	1.0
108.02104	1.3
109.02840	31.9
113.06014	0.8
115.00303	0.8
121.02869	4.6
122.03633	1.6
123.04410	18.9
125.02341	18.2
135.04430	3.0
137.02344	11.3
138.03101	1.3
139.03914	4.8
145.02829	1.8
145.08644	2.5
146.03613	1.4
147.04370	0.9
149.02328	6.2
150.03102	1.1
151.03900	12.2
159.04427	3.5
160.05225	2.2
161.02411	1.6
161.06013	5.3
162.03114	2.5
163.03935	2.1
164.01093	3.7
165.01785	4.8
167.03386	2.8
173.06033	0.8
175.03920	3.1
175.07535	3.0
177.05476	1.0
179.03442	6.4
179.07091	1.3
185.05957	1.5
187.03934	5.7
188.04692	4.5
191.07060	1.8
198.56956	0.9
201.05394	1.0
202.06277	2.1
203.07104	19.4
204.07541	1.0
205.04994	14.6
217.04851	0.9
221.08113	5.0
227.07074	2.1
230.05815	1.2
231.02985	2.5
233.08160	1.1
245.08182	21.2
246.08539	1.7
247.06108	1.9
271.06100	0.9
275.12943	0.9
289.07184	100.0
290.07541	6.1
299.12955	2.2
311.09900	0.9
321.49411	0.8
327.21762	2.8
343.11884	10.5
344.12015	1.7
345.22705	8.9
369.13419	1.7
387.14514	37.4
387.23892	3.3
388.14734	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	387.1296
Annotation	10-Acetylaucubin
Peak:m/z	Relative Intensity
53.96193	1.1
55.01776	1.2
57.03317	1.0
58.00458	3.0
59.01250	93.4
67.26229	0.9
69.46088	4.1
69.46513	5.4
71.01250	39.7
72.99181	4.3
73.02808	2.1
79.77445	1.1
83.01244	2.6
85.02818	11.6
87.00764	1.1
89.02317	33.9
95.01263	3.5
95.04900	2.0
98.20521	2.2
99.00718	1.4
99.09605	1.2
101.02313	23.6
111.00826	0.9
113.02322	11.1
119.03386	13.6
121.02847	2.1
123.04395	1.7
123.42014	1.1
125.02361	2.3
131.03448	1.0
134.03615	1.6
137.02377	1.3
139.00275	1.5
149.02365	3.7
150.02757	1.2
151.03925	3.0
163.07555	2.0
163.11197	22.6
165.01907	1.2
165.05508	2.9
177.01854	42.6
178.02220	2.5
181.08562	2.2
191.03371	1.2
192.04207	61.7
193.04723	4.8
207.06569	100.0
208.06895	5.7
221.72624	1.3
224.03326	1.1
225.07634	18.0
226.07910	1.1
325.10870	1.4
387.13199	2.6
387.16660	53.0
388.16940	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	387.1299
Annotation	10-Acetylaucubin
Peak:m/z	Relative Intensity
59.01253	13.1
69.60495	4.6
71.01270	1.1
73.23026	0.6
79.99304	0.6
85.02830	2.3
93.03358	0.8
97.79082	0.5
109.02843	2.9
121.01961	1.4
121.02846	27.9
122.03676	1.3
123.04414	0.8
137.02303	1.1
137.05916	0.8
145.06448	0.6
149.70729	0.7
163.07555	6.8
165.05496	83.8
166.05870	4.0
207.06601	1.7
225.07651	100.0
226.07985	6.8
267.08694	0.8
387.13010	25.5
388.13342	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76028	1.7
59.01247	6.5
61.27809	1.5
69.03343	2.7
70.27851	1.4
71.01244	5.7
73.02847	2.5
81.34359	1.4
85.02847	2.2
88.18621	1.4
91.32323	1.4
93.39530	1.5
95.01273	3.3
97.02845	3.4
99.00758	16.9
101.02301	2.5
101.05951	2.0
101.89957	1.5
109.02801	3.4
121.06494	3.0
123.00784	11.0
125.02335	2.3
125.05984	3.8
128.88298	1.6
131.04935	2.7
137.02354	3.1
138.03146	13.0
139.00301	7.3
140.01057	7.3
141.01843	43.4
142.02170	2.2
146.03694	2.2
147.04428	3.8
148.05185	10.3
149.05988	6.5
153.01837	2.4
153.05469	24.6
158.03575	3.0
159.04404	16.4
160.05232	19.3
161.05898	4.8
162.03084	5.8
162.06743	1.7
163.07544	2.9
164.01125	2.9
165.01854	14.8
165.99033	2.7
168.00546	18.7
173.06039	1.9
174.03127	7.9
175.03609	1.4
175.07574	7.6
176.04718	4.7
177.05493	90.2
178.06281	25.7
179.03438	3.4
179.07074	16.9
180.04182	7.0
180.62093	1.5
182.02029	2.5
183.06593	8.2
187.03925	11.1
188.04744	14.1
191.03328	1.7
191.07079	26.0
192.04254	3.4
192.07793	11.9
193.08644	1.9
195.06526	6.2
197.08057	1.8
203.07068	82.4
204.07426	5.1
206.05775	22.1
207.02888	1.6
207.06616	13.3
210.05240	8.4
219.06546	2.6
220.07336	5.1
221.08142	80.0
222.08424	4.2
223.06013	4.0
224.04599	2.2
224.06847	59.4
225.07640	100.0
226.07913	5.2
229.99770	2.1
233.08275	2.4
249.07645	4.7
277.05066	2.6
279.08850	2.1
303.07230	3.6
311.09122	1.8
312.06320	1.8
329.13730	3.1
339.08591	6.0
343.11847	3.4
354.11038	2.8
354.23090	1.7
357.13367	7.9
369.13489	14.9
370.13846	2.1
387.13214	36.1
388.14175	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	387.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.8
57.03316	1.7
58.00463	1.2
59.01251	100.0
60.01592	1.1
60.19317	0.4
69.42773	4.4
71.01250	15.2
71.67388	0.4
72.99191	1.4
73.02804	2.3
73.39847	0.4
74.02338	0.5
75.00735	0.7
83.01273	1.7
84.12069	0.5
85.02823	5.1
87.00765	1.1
88.03917	0.4
89.02318	8.1
92.43062	0.4
95.01294	1.8
96.95883	0.8
98.19740	0.8
99.00781	1.4
100.24720	0.4
101.02328	9.2
108.02050	6.4
110.00451	0.4
111.00845	0.5
113.02324	5.9
115.43477	0.6
117.18372	0.5
119.03398	4.8
123.00777	0.5
123.04415	9.0
124.04776	0.5
125.02370	0.7
129.01825	0.5
137.09592	0.4
151.00262	0.7
159.02811	0.7
161.04463	2.3
166.99754	3.7
168.00586	2.8
169.01373	0.8
175.08337	0.5
179.05484	0.6
183.02881	3.6
207.10132	0.5
207.13890	1.2
225.07602	0.6
225.11420	0.5
225.14877	6.2
245.09407	0.7
292.97571	0.5
353.53598	0.4
387.09204	1.3
387.13126	2.7
387.20374	17.4
388.20663	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1296
Annotation	Swertiajaposide A
Peak:m/z	Relative Intensity
57.03317	0.6
59.01233	1.0
61.48136	0.5
62.08664	0.6
69.03319	1.7
71.01242	1.9
81.03337	0.7
83.01213	0.5
85.02835	1.0
86.05794	0.5
93.03353	1.2
95.01274	2.3
95.45616	0.6
97.02832	3.0
98.19803	1.9
98.20517	2.3
99.00758	16.0
101.05965	2.1
108.02060	0.6
109.02830	0.8
109.06490	0.9
111.00760	3.2
111.08070	0.8
111.25832	0.5
113.02309	1.3
115.60006	0.5
119.08556	1.2
121.02866	0.7
121.06506	0.6
123.00764	3.9
125.02356	1.3
125.05987	2.6
137.02370	1.1
138.03050	0.6
138.99277	0.7
139.00270	7.0
140.01051	6.1
141.01842	38.4
142.02177	0.9
151.07584	0.7
153.01830	2.3
155.07013	0.9
163.07535	2.8
164.01186	0.7
165.01857	5.4
165.98979	2.5
166.99748	0.7
168.00548	15.0
169.08702	0.5
177.05492	0.7
179.05496	0.7
179.07059	13.2
181.01372	0.7
181.08588	1.4
182.02127	1.3
183.02806	1.2
183.06552	4.9
191.85500	0.6
195.02841	0.8
195.06519	2.8
196.06866	1.3
197.08122	1.9
205.08597	0.8
207.02957	0.9
207.06586	11.8
209.04529	1.4
221.08171	0.7
223.06067	2.1
224.06848	38.7
225.07639	100.0
226.07985	5.2
237.07703	1.5
249.07639	4.7
267.04987	0.7
267.08759	0.6
269.60318	0.6
279.08740	1.3
285.06177	2.2
303.07220	4.4
369.12173	0.7
387.12973	31.9
388.13150	3.0
403.69846	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1297
Annotation	10-Acetylaucubin
Peak:m/z	Relative Intensity
59.01250	1.5
60.28852	0.6
67.01763	0.6
69.03317	0.6
71.01244	2.0
83.01288	0.6
83.39746	0.7
91.58646	0.7
95.01257	1.3
97.02834	1.3
98.19760	1.3
99.00092	0.8
99.00758	15.5
101.05975	3.2
103.27156	0.8
109.02827	0.9
109.06497	0.7
111.00774	3.1
113.02322	0.7
119.08479	0.9
123.00777	3.7
123.04343	0.9
124.01573	1.1
125.02352	0.9
125.05974	2.6
135.08040	1.1
137.05997	0.9
139.00285	7.4
140.01064	5.5
140.12733	0.6
141.01840	28.3
142.02162	0.8
148.01508	0.6
153.09132	1.0
155.07074	1.0
163.07588	3.1
165.01840	2.4
165.98952	2.2
166.99692	0.7
167.03439	0.8
168.00549	11.4
169.13040	0.6
169.41531	0.7
179.07059	13.7
179.08574	1.2
181.05023	0.7
181.08658	1.3
183.02896	1.0
183.06511	5.7
191.06995	0.7
195.02927	1.6
195.06561	2.0
196.03610	0.8
197.08127	1.8
205.08612	0.9
207.06580	14.0
209.04494	0.9
221.08145	0.8
223.06223	3.6
224.06854	44.2
225.07635	100.0
226.08012	5.3
237.07700	1.2
249.07684	7.5
267.08737	1.0
279.08792	2.6
285.06082	3.2
303.07217	3.2
369.11902	0.9
387.12979	39.7
388.13446	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	387.1297
Annotation	Syringoxide
Peak:m/z	Relative Intensity
54.84452	0.7
55.01760	1.5
57.03313	3.1
58.00475	1.2
59.01254	21.7
59.03091	0.7
69.03320	1.0
69.64999	2.0
69.65411	3.8
71.01256	26.1
72.99178	2.7
73.02819	6.5
73.06489	0.9
75.43141	0.7
79.01779	1.2
81.03326	1.0
83.01265	5.1
85.02824	12.1
87.00753	3.0
89.02317	8.9
95.01265	4.0
95.04891	0.7
97.02850	1.8
99.00760	2.8
101.02325	19.3
104.66165	0.8
107.01279	3.7
111.00767	3.4
113.02335	11.3
119.03384	2.9
119.50266	0.8
120.83031	0.7
123.00779	20.0
124.01586	1.2
125.02348	21.6
127.00305	1.3
129.01802	0.8
135.04378	1.1
135.06372	0.8
136.98686	2.6
137.02444	0.8
137.06000	4.5
137.09636	1.7
139.00301	6.1
140.01064	4.9
141.01836	3.2
147.04359	1.0
151.00276	14.6
151.03911	0.9
153.01846	1.3
153.09157	0.8
155.73282	0.8
159.02876	1.9
161.04459	7.4
164.66798	0.8
165.05518	2.0
166.52661	0.7
168.00591	4.7
169.01335	21.4
179.05594	1.1
181.04985	20.6
184.56404	0.8
196.95139	0.7
205.03268	0.7
206.67628	0.7
207.06534	2.0
207.13780	1.1
225.07629	1.3
225.14957	7.0
230.75056	1.0
313.05643	1.3
387.12970	100.0
387.19974	5.3
388.13278	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	385.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14715	2.4
57.03325	5.4
59.01254	17.9
71.57499	4.2
71.57899	2.9
73.18441	2.8
78.95783	3.5
85.02843	6.0
87.04378	14.7
89.02315	7.5
91.03883	19.7
96.53106	2.5
103.99458	2.7
109.02828	3.4
116.02544	2.8
116.33580	2.4
166.18259	3.0
167.26498	2.7
175.36784	2.5
193.38210	2.7
223.16988	38.1
235.16920	5.8
236.69458	2.7
269.26572	2.9
275.20239	4.0
293.21017	8.5
311.18771	5.6
311.22296	100.0
312.22589	9.9
385.11545	4.1
385.16486	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1297
Annotation	10-Acetylaucubin
Peak:m/z	Relative Intensity
68.99674	1.0
69.03304	0.4
69.50298	3.4
71.01250	1.1
76.98379	0.5
80.28814	0.4
85.51831	0.4
95.01265	0.5
97.98187	0.4
98.20290	1.7
99.00780	3.3
99.01314	0.6
99.07984	0.5
109.02843	0.4
111.00791	0.9
111.08018	1.0
119.08554	1.3
123.00770	1.9
125.02297	0.6
125.05994	2.6
125.09628	0.5
135.08089	0.8
139.00249	1.1
140.01053	3.3
141.01836	4.2
150.03157	0.7
152.01077	0.8
163.07549	2.8
165.01970	0.6
165.98985	1.0
166.99751	1.0
167.03398	0.7
168.00548	6.4
179.07069	14.4
180.07513	0.6
181.04939	0.7
181.08578	0.5
183.06534	1.2
195.06616	2.6
196.03783	0.9
196.06955	0.6
207.04672	0.7
207.06580	11.5
209.08047	0.5
212.72139	0.5
212.78560	0.5
223.06075	2.6
223.09644	0.5
224.06845	16.7
225.07646	100.0
226.07951	5.5
241.90579	0.5
249.07748	0.7
254.75150	0.5
267.08774	1.1
305.10425	0.4
371.17590	0.5
387.12976	26.5
388.13269	2.3
401.94205	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	2.8
57.03325	8.8
58.00460	4.5
59.01255	100.0
67.01781	1.3
68.44131	1.1
69.03310	1.2
69.45660	9.4
71.01258	88.6
72.01598	1.6
72.99181	9.2
73.02816	9.2
75.00756	12.7
81.03338	1.6
83.01263	8.0
84.02032	1.2
85.02831	35.0
87.00755	8.0
89.02325	66.2
93.03320	2.2
94.09498	1.1
95.01257	4.8
97.02837	3.0
97.06484	1.3
99.00764	5.7
99.04395	2.0
101.02329	42.8
105.01826	9.7
108.02081	1.6
109.02839	4.3
109.06472	1.5
111.00766	2.5
111.08038	1.4
113.02346	29.9
119.03400	30.3
121.02821	1.7
123.00827	1.4
123.08054	1.6
125.02347	15.5
125.05978	6.2
127.36813	1.4
129.01833	4.6
131.03362	2.7
135.02873	2.0
135.04402	1.5
137.02361	23.0
137.09634	2.4
138.02684	1.9
139.00195	1.3
143.03436	2.7
146.03645	3.4
147.02899	1.6
149.02342	2.0
149.09586	1.7
150.03119	4.6
151.07552	3.6
153.01909	1.3
153.09135	16.4
161.04510	7.3
161.05693	1.6
163.07507	1.4
164.01070	3.8
165.01855	18.6
166.02260	2.0
167.03378	4.6
172.05228	1.9
173.05946	2.1
174.03120	2.5
175.02429	1.8
175.03929	2.2
175.07538	5.6
176.03389	2.0
176.04761	1.8
177.05548	1.8
177.12836	1.5
179.03438	4.2
179.05539	4.6
179.06967	1.4
179.10718	2.2
183.06587	1.7
187.07526	2.8
193.08673	1.8
195.06572	8.3
199.07564	1.4
199.31131	1.1
200.04709	2.0
200.08443	1.2
201.09180	8.8
203.07042	1.6
205.03551	2.9
205.12263	16.4
206.04524	2.0
207.06561	1.6
209.08156	6.1
209.15451	6.6
219.09898	1.6
223.06160	7.9
223.09793	1.7
223.13351	5.0
225.07629	2.8
229.08620	3.6
235.05992	3.4
237.07622	9.6
247.09718	5.2
251.16508	2.6
265.07086	9.7
267.08725	2.2
323.12897	2.7
357.11798	1.3
358.14059	1.3
367.11868	5.9
385.11426	12.2
385.18619	35.6
386.18823	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	385.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.9
59.01240	0.9
65.00200	0.8
69.03299	0.4
70.35217	0.3
71.01247	0.4
80.02543	0.2
81.03336	6.5
83.01263	2.1
85.02832	0.5
91.49121	0.2
93.03305	0.5
97.02841	0.5
99.70197	0.3
107.01271	0.8
108.02068	0.3
109.02849	0.7
112.03925	0.2
113.09629	0.5
115.07534	0.6
121.02837	0.9
122.03622	2.0
123.04385	0.4
124.01567	0.5
125.02345	10.0
126.02617	0.3
135.04465	0.3
137.02354	9.3
137.09634	2.5
138.03008	0.4
139.03983	0.3
139.07550	5.0
149.02402	1.0
150.03105	0.7
151.00244	1.6
151.03905	0.4
161.02356	0.6
162.03151	0.8
164.01074	0.6
165.01857	4.2
166.02551	0.3
167.03391	0.5
175.03929	0.3
179.03377	0.7
179.10715	25.9
180.10994	1.5
180.59282	0.2
181.08627	0.2
201.05618	0.3
205.08626	1.3
219.10277	0.4
223.09731	100.0
224.10071	6.5
247.09792	0.7
249.51509	0.2
265.07242	0.5
265.10834	0.8
270.05292	0.2
287.05771	0.6
288.06308	1.1
301.10617	0.3
385.12781	2.4
386.12805	0.4
393.77188	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1868
Annotation	Glochidionionoside C
Peak:m/z	Relative Intensity
55.01753	4.2
57.03316	6.3
58.00460	4.2
58.94800	1.0
59.01252	72.8
69.03328	1.8
69.67551	7.8
71.01253	67.7
72.01602	1.0
72.99177	3.4
73.02823	10.7
83.01260	5.5
83.04868	2.2
85.02821	31.4
87.00765	2.2
89.02318	32.3
95.01282	4.7
95.04928	2.5
97.02825	6.0
98.20526	1.5
99.00747	5.1
99.24129	1.1
99.31767	1.1
101.02325	31.1
105.06953	2.1
108.05708	1.8
109.06474	2.3
113.02336	23.2
113.03068	0.9
113.05965	3.0
119.03394	9.3
122.03645	3.6
123.08041	4.8
125.02361	1.4
125.05983	2.4
125.71009	1.1
135.08148	1.1
136.05194	3.8
137.05952	2.2
138.06758	31.3
138.19823	1.1
139.07553	11.2
143.03380	2.7
151.07559	21.0
152.04752	2.3
152.08339	40.9
153.09122	100.0
154.09470	4.5
159.02914	3.1
161.04489	11.3
161.09619	1.7
163.11224	4.4
165.09065	1.7
167.07170	1.4
179.05630	1.2
189.09116	1.9
191.01843	2.1
205.12276	30.3
206.12585	2.0
207.97298	1.0
223.04436	2.1
223.13402	9.7
224.13602	1.3
231.48727	1.2
343.13730	1.5
343.42816	1.2
385.18677	4.8
407.77695	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79386	0.6
57.03318	0.8
59.01253	100.0
60.01596	0.6
60.99785	0.5
71.01267	1.7
73.02861	0.7
85.02825	2.6
93.15876	0.5
94.72369	0.6
98.19793	0.8
101.02340	1.3
113.02383	0.7
119.03426	0.7
125.02359	0.9
134.69528	0.5
137.02377	2.0
150.03215	0.8
165.01842	1.6
175.07549	0.7
191.01988	0.6
198.41241	0.5
201.09216	1.1
223.04492	0.7
247.09663	0.5
340.85220	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.3
59.01236	2.1
65.00199	0.9
69.34647	0.4
69.35049	2.6
71.01247	0.5
72.96700	0.3
75.72192	0.3
81.03329	7.3
81.58874	0.3
83.01258	1.5
85.02815	0.5
101.02328	0.3
107.01251	1.0
108.02081	0.4
110.36425	0.2
113.09589	0.7
115.07537	0.7
122.03624	1.6
125.02338	8.2
125.05976	0.4
126.02644	0.3
137.02386	0.3
137.09616	3.5
139.07547	5.6
149.02336	1.0
151.00273	2.1
152.01106	0.3
161.09705	0.4
162.03163	0.4
167.03465	0.3
179.10693	28.4
180.11032	1.5
195.06590	1.8
205.08582	1.2
207.02965	0.3
223.06094	2.9
223.09700	100.0
224.10036	6.4
237.07698	0.5
247.09731	0.6
265.10764	0.9
308.51758	0.3
343.21399	0.5
385.12515	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85744	0.6
57.03312	1.0
59.01252	100.0
60.01575	0.9
68.43184	0.6
69.86474	1.5
69.86895	2.3
71.01258	2.2
85.02835	2.3
85.18763	0.6
86.75014	0.6
89.02332	1.5
95.89750	0.6
98.20547	0.8
101.02334	1.2
106.72637	0.6
113.02336	1.3
119.03387	0.7
125.02350	1.6
127.31336	0.6
127.43749	0.6
137.02371	2.4
146.03624	0.7
148.47958	0.6
148.98079	0.6
150.03136	0.6
165.01871	1.9
201.09264	1.2
206.80984	0.7
209.00896	0.8
247.09752	0.7
248.49562	0.7
276.26935	0.8
315.25046	0.7
341.53845	0.7
367.11951	0.9
385.04330	0.6
385.12921	0.8
398.34396	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99410	1.4
57.03315	4.4
59.01254	100.0
63.81366	1.2
70.73846	4.1
71.01254	9.6
72.99187	4.5
73.02838	2.8
83.01264	6.2
83.04887	1.8
85.02818	9.6
87.00767	2.1
89.02303	4.2
97.02810	3.1
98.20412	1.8
99.00763	3.2
101.02321	5.2
102.28609	1.5
109.02850	4.1
112.98682	4.4
113.02338	4.2
115.00286	1.8
118.89772	1.4
119.03335	1.7
121.02837	2.0
122.03616	2.9
123.04382	1.6
125.02353	9.8
127.28587	1.4
135.02890	7.9
137.01384	2.6
137.02356	30.4
142.99756	4.6
148.05219	13.1
149.02367	1.9
150.03108	8.5
161.02313	2.7
161.04469	6.4
163.07538	7.2
164.01035	3.3
165.01828	11.9
167.03421	2.1
172.05174	1.6
173.00862	2.9
174.01640	18.8
175.02449	1.9
177.05507	1.7
179.03424	5.0
195.06619	3.0
201.09123	3.1
202.06253	1.7
205.12375	2.8
211.13353	5.0
217.08498	1.4
219.10170	1.7
223.13361	10.8
229.08611	2.4
263.12912	1.6
267.12332	6.4
287.05838	2.2
288.06445	3.2
307.11572	1.7
334.01694	1.6
367.13849	2.9
385.12445	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	385.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72825	0.5
55.01755	0.9
57.03312	1.0
58.00467	0.7
59.00955	1.2
59.01254	22.5
69.03321	0.5
70.88988	1.7
71.01253	13.5
72.99177	1.5
73.02810	3.8
83.01254	2.3
85.02814	5.8
87.00752	2.4
87.66553	0.7
89.02319	5.2
95.01263	1.7
97.02805	0.7
99.00774	1.1
101.02324	6.7
108.02049	1.0
111.00771	1.2
113.02348	4.2
119.03394	1.8
121.02819	0.6
122.03619	5.4
123.04360	0.7
124.01537	0.8
125.02344	1.8
126.34609	0.6
135.04449	1.1
137.05940	0.9
141.01837	0.8
150.72067	0.7
154.02592	1.0
161.05994	1.0
163.03935	0.8
163.07550	7.6
169.01370	0.7
181.08621	54.2
182.09036	3.3
223.09695	2.7
230.56267	0.6
234.06116	0.6
251.09129	0.8
265.10745	0.9
267.08832	1.5
307.07947	0.8
325.12912	32.9
326.13318	2.6
343.13959	100.0
344.14374	7.5
368.52576	0.6
385.10162	1.1
385.15021	19.4
386.15421	1.7
396.79819	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03754	0.4
50.82205	0.4
57.03312	1.7
59.01250	1.9
65.00201	0.9
67.01760	0.4
70.62220	0.3
71.01247	1.1
81.03329	7.6
83.01253	1.6
85.02826	1.7
89.02311	0.4
93.03329	0.6
95.01324	0.4
95.04890	0.8
95.17396	0.4
97.02860	0.9
107.01254	0.6
109.02848	1.1
111.00809	0.4
113.09589	1.0
115.07558	0.8
121.02839	1.6
122.03632	3.4
123.04451	0.6
124.01611	0.7
125.02338	9.5
129.01811	0.4
131.01277	0.4
135.04430	0.5
137.02353	4.3
137.09628	2.7
139.03906	1.1
139.07549	5.6
141.09114	0.6
149.02376	1.6
150.03142	6.7
151.00269	1.1
151.03847	0.4
151.11273	0.4
152.01085	0.4
159.04422	0.4
161.02362	0.9
162.06793	0.6
164.01077	0.6
165.01833	4.4
166.02431	0.5
167.03474	0.7
175.00320	1.0
175.03990	0.3
177.01845	0.4
179.03448	0.7
179.10712	43.9
180.11053	2.8
183.43137	0.4
187.61139	0.4
193.08669	0.7
201.05479	0.5
203.03372	0.5
205.08670	0.8
207.10236	1.1
215.07013	0.4
219.10214	1.4
222.09123	0.7
223.09721	100.0
224.10094	5.7
229.08487	0.5
235.09691	1.2
237.11328	3.2
243.06485	0.5
244.07253	0.5
247.09735	26.0
248.10008	1.9
259.06116	0.6
265.10815	11.1
266.11227	0.8
277.10797	3.5
287.05606	0.9
288.06445	1.2
325.12878	0.8
333.96936	0.4
381.33566	0.4
385.15219	4.7
385.22440	0.6
392.30685	0.4
404.39343	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	3.1
59.01253	100.0
69.03312	1.2
69.29678	1.8
69.30096	10.0
71.01249	5.9
73.02788	1.1
75.00743	1.0
81.03326	2.1
83.01248	4.0
85.02821	2.8
89.02356	0.9
93.03370	1.0
95.04902	1.8
97.02827	2.8
98.19788	1.9
98.20455	3.1
99.04404	1.8
101.02309	2.9
109.02814	2.3
113.02324	2.3
121.02847	1.6
121.06474	1.6
122.03640	1.3
123.00788	2.2
123.04430	1.0
124.01519	1.3
125.02329	18.5
125.05975	1.4
137.02342	29.3
138.03096	1.8
139.03815	1.1
146.03627	5.4
148.05197	11.7
150.03149	2.3
151.03825	1.7
159.04370	1.4
159.47325	0.9
160.10513	1.1
161.04443	5.8
161.05768	1.6
163.07544	9.0
164.01080	6.6
165.01857	18.4
165.08939	1.0
167.03442	7.8
172.05222	1.1
173.05942	2.8
174.03113	2.2
174.06752	2.0
175.03912	1.6
175.07578	9.6
176.04678	2.5
177.01826	3.1
179.03403	4.8
179.06995	0.8
187.04012	1.6
187.07602	2.1
190.02695	1.9
200.04630	1.7
201.05493	1.2
201.09157	2.2
203.07037	4.0
204.04228	0.9
205.08716	2.0
209.08080	2.2
217.08560	3.5
223.06134	1.1
229.08630	7.6
237.07645	3.1
239.07152	1.1
247.09763	4.5
255.10254	1.0
265.07111	4.7
268.07202	1.5
281.11758	1.8
283.09726	1.3
297.11252	1.0
299.12708	2.3
323.12845	7.1
341.14038	2.0
349.10831	1.2
349.53735	0.9
367.11859	15.9
368.11700	1.5
385.12567	10.6
386.12842	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	385.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07902	0.6
57.03312	1.3
59.01254	1.8
59.90783	0.7
66.27310	0.6
67.79469	0.6
69.03336	1.4
70.39328	2.8
71.01260	1.3
73.61507	0.6
81.03331	7.8
83.01266	5.6
85.02835	2.1
91.70255	0.6
93.03358	1.9
97.02811	1.2
98.20443	0.9
109.02855	4.4
113.09621	1.1
121.02844	2.2
122.03646	3.0
124.01555	1.0
125.02351	11.5
135.04407	0.7
137.02348	36.5
137.09613	2.5
138.02751	1.0
139.03905	1.0
139.07559	4.5
141.56134	0.6
144.42406	0.7
149.02316	2.6
150.03143	13.4
151.00281	2.2
159.27086	0.7
162.06772	0.9
164.01045	1.4
165.01871	12.1
166.02669	1.5
167.03436	0.9
175.00293	0.9
175.03897	1.0
177.01840	0.9
179.03387	1.6
179.10707	35.5
180.11057	2.1
201.05470	1.3
207.10210	1.1
219.10263	0.8
223.09723	100.0
224.10077	5.7
229.08588	0.8
234.92302	0.6
235.09715	1.2
237.11319	3.5
247.09770	23.3
248.09998	1.1
254.63573	0.6
256.18213	1.1
259.06168	1.6
265.10779	9.6
266.11188	1.0
277.10812	2.9
287.05615	4.8
288.06400	2.9
325.12836	1.3
375.18921	0.7
385.13693	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	385.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	9.0
59.01257	97.2
59.86177	2.3
60.01621	2.5
62.60226	2.4
68.74694	2.5
68.99834	2.1
69.03291	3.3
70.33133	8.3
71.01257	6.9
73.87376	1.9
74.73434	2.1
81.03336	7.7
83.01262	11.0
85.02833	6.0
92.15968	2.1
95.01254	2.3
95.04897	6.8
97.02845	10.1
99.04392	5.7
101.02325	3.6
109.02856	6.7
116.98583	2.3
121.02846	6.6
121.06506	5.2
122.03625	4.9
123.00760	2.7
125.02349	72.3
135.04399	4.3
137.02354	100.0
146.03654	16.2
146.04617	2.9
147.04459	2.3
148.05205	9.6
149.05991	3.9
150.03146	4.6
151.03928	7.5
159.04491	3.8
161.02271	3.6
161.04494	5.2
161.05956	3.8
163.07542	8.8
164.01073	27.7
165.00484	4.5
165.01868	71.0
167.03430	28.6
167.14604	2.3
172.05219	7.1
173.06116	11.1
174.03131	8.4
174.06770	5.6
175.03894	4.2
175.07600	36.2
176.04700	6.9
176.07875	4.0
177.01884	12.1
179.03432	24.5
187.07578	8.5
188.04724	5.8
189.09064	3.2
190.02579	4.1
190.06252	3.3
191.07135	2.9
199.07570	3.3
200.04692	6.3
201.05487	5.1
201.09196	5.1
202.06264	3.7
203.07143	17.0
204.04250	3.9
205.08618	6.8
212.04666	3.2
213.09056	2.6
217.08603	11.5
225.05540	3.4
226.06306	5.3
227.07097	3.8
229.08676	29.0
239.07095	3.9
239.10724	5.7
241.08716	4.6
247.09688	13.8
254.05978	2.9
255.10359	5.7
257.11926	2.5
268.07498	4.0
273.11197	4.0
281.11856	9.1
283.09674	5.0
294.09015	3.2
297.11340	6.0
299.12848	9.0
323.12875	27.5
324.13071	3.9
325.10443	3.1
341.10208	5.1
341.13870	5.3
349.10654	3.0
367.07620	4.5
367.11884	66.9
368.12170	9.1
385.12976	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	385.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	12.1
59.01250	9.0
63.41577	0.9
67.01770	1.4
69.03326	3.2
69.26517	11.6
71.01257	2.6
72.36960	0.9
74.82935	0.8
75.00756	1.7
81.03332	9.2
83.01257	12.8
83.04951	1.1
85.02823	6.0
89.02328	1.4
93.03362	2.9
95.01273	2.0
95.04903	6.8
97.02839	7.7
98.19923	3.8
99.04360	5.5
100.34151	1.0
107.04921	2.5
109.02828	9.7
111.00861	1.1
111.04411	1.0
113.06004	1.6
121.02828	5.6
121.68203	0.9
122.03644	5.9
123.00805	5.5
123.04423	2.8
124.01564	3.1
125.02343	67.9
126.02670	1.4
129.01817	1.1
131.04919	1.3
135.02927	5.0
135.04407	4.1
137.02347	100.0
138.03036	4.1
139.03885	3.8
145.06465	1.1
146.03642	19.8
147.04402	2.2
148.05263	1.5
149.02333	2.1
149.06000	3.1
150.03104	5.6
151.03947	6.6
158.03584	1.3
159.04408	5.4
161.02350	2.3
161.05968	1.8
163.00282	1.3
163.03905	1.3
164.01065	28.2
165.01848	79.6
166.02351	3.1
167.03413	35.8
168.03738	2.4
172.05222	6.1
173.05991	14.3
174.03136	10.0
174.06763	4.5
175.04013	6.3
175.07568	34.8
176.04691	8.2
176.07935	2.4
177.01888	11.9
179.03435	20.6
181.05031	2.6
185.06001	2.8
186.06889	2.0
187.03934	5.0
187.07602	9.1
188.04730	2.9
189.05522	2.2
189.09109	5.9
190.02620	4.5
191.01880	1.6
191.03426	3.5
191.07066	2.0
199.07619	2.3
200.04724	6.4
200.08252	1.4
201.05524	5.9
201.09102	10.9
202.06276	3.2
202.09625	1.0
203.07071	16.6
204.04213	3.2
204.07765	1.6
205.08626	9.1
205.11911	1.0
211.03932	2.2
211.07550	2.1
212.04611	2.3
213.05594	1.7
213.09196	2.2
214.06316	1.1
215.07083	3.1
216.07834	3.0
217.08669	14.4
218.09120	2.3
219.10208	2.0
223.04532	1.2
223.13326	1.5
225.05556	3.4
226.06281	3.8
227.07103	1.4
229.08675	35.5
229.12190	2.0
230.09023	2.7
237.05493	1.2
239.07132	1.8
239.10774	3.7
240.07915	1.2
241.08797	4.6
244.07376	2.4
247.09743	13.7
248.10117	1.4
251.07219	1.9
252.07808	2.4
254.05882	1.2
254.09679	2.7
255.10397	4.7
257.11844	4.0
265.08664	2.0
268.07474	3.8
269.08084	2.0
273.11371	1.9
279.10303	2.0
281.11780	9.1
283.09918	6.0
284.10132	1.5
288.06369	2.6
294.09045	2.6
295.09909	1.8
295.13287	1.6
296.06915	1.2
297.11343	6.4
299.12912	8.8
301.10809	1.7
305.11932	1.5
323.09085	2.3
323.12881	31.8
324.13449	3.1
325.10837	2.7
341.10214	2.0
341.14072	5.5
349.10843	3.4
367.11847	63.6
368.12231	7.8
385.12979	35.6
386.13068	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	385.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67464	0.9
55.01751	4.2
57.03330	18.2
59.01253	9.9
64.02879	0.9
70.13874	1.2
71.01250	6.1
71.57643	1.3
71.58009	1.2
72.73454	1.0
72.99183	9.3
75.00749	4.8
81.03316	4.8
83.01281	5.4
84.02050	2.1
85.02827	100.0
86.03178	1.5
87.00751	3.3
99.00742	5.0
101.02320	4.6
103.00256	2.0
111.00768	14.1
125.02347	12.2
129.01833	21.9
134.03642	4.2
135.04451	2.5
143.03362	2.7
147.02890	12.3
150.18143	0.9
160.68733	1.0
161.04283	1.0
187.02428	1.2
191.01935	14.5
192.94597	1.0
193.04990	1.7
205.03461	19.4
209.01012	1.0
209.02998	5.7
223.04553	85.9
224.04958	4.0
313.94836	1.0
385.07901	1.2
385.12595	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1143
Annotation	1-O-Sinapoyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.95389	0.3
52.72902	0.3
55.01739	0.3
56.54126	0.3
57.03337	0.8
59.01250	4.4
69.03348	0.5
71.01255	2.0
71.04893	0.9
71.08897	0.3
71.57607	0.4
72.99184	0.4
73.02811	1.2
81.02880	0.5
81.03330	3.9
83.01260	0.8
85.02813	0.9
89.02314	1.3
95.01256	0.6
95.04896	3.5
97.02826	4.7
99.04358	0.5
101.02345	0.5
107.01237	0.5
109.02824	0.6
109.06467	0.5
113.02309	1.0
119.04931	0.4
121.02831	0.8
121.06492	0.4
122.03606	1.2
123.00734	0.4
123.04431	0.4
125.02341	6.0
131.01306	0.4
135.00824	0.4
135.11679	0.9
137.02354	0.7
137.05980	41.0
138.06299	1.7
139.03899	1.2
149.02365	1.7
149.05954	0.5
151.00311	1.0
151.03912	1.2
152.00919	0.5
154.13774	0.3
156.47551	0.3
161.09662	0.7
163.03932	0.8
164.04594	0.4
165.05406	1.1
170.36220	0.3
175.00255	0.4
177.05467	0.9
179.10690	10.3
180.04185	1.2
180.11116	0.3
181.04980	100.0
182.05322	4.2
187.03964	0.7
193.04950	0.7
194.05774	0.5
195.06566	2.9
203.05840	0.4
205.04999	20.3
206.05301	1.4
207.06631	0.5
223.06082	11.2
223.09593	5.0
224.06387	0.5
224.10159	0.4
235.06163	2.5
247.06125	0.4
247.41809	0.4
265.10809	0.4
280.59775	0.3
344.09991	0.4
385.11478	3.4
385.22620	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	3.1
59.01248	12.9
65.57176	1.5
67.26112	1.6
69.49434	8.4
69.49842	4.0
71.01248	10.0
72.99179	9.1
73.02805	6.4
75.00752	7.4
81.03305	1.8
83.01237	5.6
84.02054	1.3
85.02818	31.1
87.00752	9.6
99.00735	4.7
101.02301	4.2
111.00748	3.1
113.02327	3.2
113.99452	2.4
115.00248	13.8
125.02325	10.2
129.01836	11.4
135.04347	2.6
143.03403	2.1
147.02872	5.0
149.02328	2.5
162.82745	1.5
164.04732	2.6
174.01607	100.0
175.02347	11.4
179.03464	2.9
191.01881	6.1
194.05954	1.3
205.03418	5.1
205.05109	1.7
208.03746	2.5
209.08122	4.4
223.04439	33.2
239.09186	5.3
267.08719	4.9
295.08203	12.7
325.09262	20.0
385.11356	93.2
386.11771	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	2.9
59.01255	17.7
61.98718	1.3
63.90892	0.8
71.01261	6.6
71.32681	1.6
72.99172	1.1
83.01271	1.2
85.02814	8.9
89.02320	5.1
91.01778	1.3
91.50958	0.8
95.18836	0.8
101.02308	2.9
103.69744	0.8
113.02332	2.9
119.01286	4.3
119.03400	1.9
121.02839	3.5
125.02361	0.9
134.03612	3.8
135.04375	1.5
147.00772	3.1
149.02342	16.0
152.01082	1.9
161.02361	1.1
163.03882	3.0
163.07507	1.9
164.04698	15.5
165.01866	2.4
175.00299	30.4
176.00676	1.5
179.07069	4.8
180.80885	1.0
189.01743	1.2
190.02652	71.7
191.03090	3.4
193.01353	3.5
193.04988	2.7
205.05003	100.0
206.05405	7.1
208.03728	10.0
217.01381	1.1
221.08102	1.9
223.06100	40.9
224.06436	3.2
232.03777	1.1
247.06140	4.8
265.07108	3.5
325.09436	1.5
366.74127	1.0
385.11337	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	385.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08178	0.3
57.03314	0.4
59.01255	3.9
65.00191	0.9
69.03345	0.4
71.01244	2.5
71.04901	0.7
71.21571	0.9
73.02818	1.3
80.03496	0.3
81.03326	4.7
83.01263	0.8
85.02798	0.6
87.00768	0.4
89.02331	0.5
93.03329	0.5
95.01255	0.3
95.04888	3.3
97.02815	4.6
99.04395	0.4
101.02321	0.6
107.01229	0.4
109.02825	0.6
109.06450	0.4
113.02362	0.5
121.02839	0.9
122.03638	1.2
123.04419	0.5
125.02344	5.2
135.00717	0.4
135.11674	1.4
137.05980	41.1
138.06282	2.1
139.03902	1.2
147.04413	0.4
149.02361	1.7
149.05952	0.6
151.00233	1.0
151.03874	1.0
151.05052	0.3
152.01030	0.8
153.05493	0.3
156.29218	0.3
161.09579	0.7
163.03952	0.6
164.98376	0.3
165.01903	0.4
165.05467	1.2
167.03453	0.4
175.00281	0.5
177.05545	1.5
178.05635	0.3
179.05444	0.3
179.07082	0.6
179.10696	8.3
180.04185	1.5
180.11029	0.5
181.04984	100.0
182.05316	5.1
193.05009	1.0
194.05765	0.4
195.06602	2.3
201.09724	0.3
205.04994	20.9
206.05373	1.3
207.06627	0.4
223.06090	10.3
223.09604	4.6
224.06401	0.5
235.06039	2.9
304.59500	0.4
320.99695	0.3
348.74265	0.4
349.40063	0.3
385.11569	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01782	1.8
57.03334	9.8
59.01254	8.2
69.30373	7.6
69.30806	6.4
71.01256	7.6
72.99181	3.8
75.00755	3.4
81.34177	1.4
83.01260	3.6
84.02042	3.6
85.02827	100.0
86.03126	2.3
89.02322	3.0
101.02328	5.1
111.00770	14.7
121.02872	1.9
129.01854	15.7
133.01271	2.0
134.03589	3.1
135.04454	1.5
147.02895	8.3
149.02350	13.7
157.74078	1.5
161.04381	1.8
162.10677	1.3
162.98528	1.3
164.04703	14.5
167.31584	1.5
174.01627	5.7
178.59630	1.3
179.07065	5.1
181.05003	1.6
181.08563	1.6
191.01924	16.6
193.01448	1.8
193.05025	2.3
205.03485	16.1
208.03703	5.0
209.02962	38.9
223.04527	62.2
223.06165	13.3
224.04800	3.0
266.08078	1.4
385.11343	5.9
401.78299	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43345	1.3
55.01769	2.5
57.03325	14.8
59.01247	6.7
62.45321	1.3
69.38117	12.1
71.01249	3.2
72.99165	1.4
83.01272	1.7
84.02065	2.2
85.02825	100.0
86.03152	1.3
99.07433	1.4
103.00278	1.5
117.03413	1.4
129.01842	6.1
134.03633	4.4
147.02890	9.0
149.02328	1.9
163.03876	2.2
177.61545	1.3
185.98553	1.3
191.01874	17.9
193.04990	3.3
196.31119	1.3
209.02982	9.4
223.04526	2.8
250.22340	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	8.5
57.03315	7.4
59.01244	20.9
65.00192	10.8
66.53064	6.5
67.01753	13.8
68.99686	11.2
69.03338	15.7
69.86407	6.9
71.01249	25.4
71.56875	10.3
72.99182	15.3
79.66415	7.2
81.03316	14.4
83.01250	21.1
85.02837	22.3
87.00694	10.0
89.02321	10.1
93.03371	11.6
95.01260	43.3
95.04932	7.3
96.99203	16.8
97.02838	26.6
99.00762	63.2
101.02374	10.7
109.02831	49.5
111.00741	84.0
111.24827	6.6
113.02350	10.1
119.04930	6.9
121.02881	8.6
123.00784	42.8
123.04367	7.9
123.63662	6.9
124.01570	10.9
124.91618	8.2
124.98650	7.3
125.02328	56.3
127.00269	12.0
133.02907	8.2
135.00821	8.7
135.04405	7.4
137.02328	22.6
139.00276	100.0
140.01042	7.9
141.01817	74.7
147.04428	6.9
149.02309	10.8
151.00279	39.6
152.01067	25.4
153.01848	68.2
154.99724	45.7
157.01323	32.0
161.02364	9.5
163.00255	12.2
163.03908	11.7
165.01810	16.2
166.99789	72.0
167.03384	9.3
168.00481	22.8
169.01378	39.3
175.03889	11.7
177.01903	11.1
178.99831	27.9
180.00414	10.7
181.01353	29.9
181.08609	9.4
182.01601	9.9
182.99274	19.7
183.02737	7.9
185.00858	9.1
187.03966	13.7
190.99814	9.5
191.03300	9.4
193.01271	18.4
194.99292	81.4
197.00859	36.3
199.02414	25.3
205.04927	8.4
209.00810	22.0
210.98724	11.4
213.00323	16.7
215.01825	8.7
225.00392	9.4
231.02887	13.5
259.02383	9.6
287.16098	7.4
343.13791	9.9
349.02023	11.1
367.03033	11.9
385.04095	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0413
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89098	0.6
57.03311	0.8
57.39141	0.6
59.01251	2.9
69.38306	4.1
69.38711	1.4
71.01243	1.1
72.99191	0.9
73.02793	0.7
83.01258	4.1
85.02824	2.4
88.77430	0.5
93.03349	2.2
95.01247	0.6
96.95777	0.5
97.02821	1.3
107.01304	1.0
108.02052	2.5
109.02844	3.6
111.00768	0.9
113.02338	0.7
117.53477	0.6
121.02843	2.2
123.00765	1.1
124.01565	1.9
124.99711	0.6
125.02328	2.7
135.00732	0.6
137.02356	8.5
151.00285	7.5
152.01056	15.6
153.01852	18.4
154.02216	1.0
165.01842	7.8
178.99782	3.8
181.01340	1.2
184.86343	0.6
206.99245	3.0
208.00053	7.4
209.00858	100.0
210.01170	4.4
229.58282	0.6
248.86148	0.7
251.01979	2.2
265.09503	0.6
305.69748	0.6
335.01523	0.6
385.04086	45.3
385.11816	1.5
386.04544	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	383.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	5.4
58.00455	0.8
59.00979	1.2
59.01251	11.2
60.10153	0.8
69.03317	1.0
69.43602	1.8
69.44019	5.0
71.01251	3.6
71.04887	4.5
72.99157	0.8
73.02796	2.2
73.80396	0.8
81.03349	1.1
83.04899	3.2
83.90784	0.7
85.06463	4.0
87.04387	1.2
89.02318	6.5
91.03880	22.5
95.04852	1.2
97.06459	1.7
98.20398	2.6
109.06470	4.1
111.04408	1.9
111.08002	1.4
121.02812	0.9
129.09102	0.9
134.56787	0.8
163.37277	0.8
167.10701	2.0
176.54140	0.8
177.12720	1.4
179.10805	0.8
179.14305	3.2
180.75221	0.9
181.12253	0.9
195.13847	20.3
205.12283	1.4
221.15402	13.6
222.15732	1.0
223.13319	7.8
229.19580	1.0
233.15366	1.8
235.17128	1.3
239.16505	4.0
247.20511	2.0
248.51428	0.9
251.16515	1.8
273.18527	2.6
291.19662	44.7
292.20114	4.6
309.20697	100.0
310.21027	9.2
351.69156	0.8
383.15768	0.9
383.24503	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	383.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63237	1.4
57.03323	6.2
59.01254	15.2
61.98697	4.2
69.95082	8.9
71.01254	4.9
71.04900	4.5
73.02798	3.2
83.04897	3.5
85.06471	3.5
89.02318	6.2
91.03881	26.2
95.04876	2.1
97.02845	1.8
97.06467	1.7
109.06485	2.9
127.07528	1.5
137.09679	2.0
159.73337	1.4
171.10123	2.9
179.14253	1.7
195.13849	19.9
212.35672	1.7
221.15346	9.3
223.13388	6.9
233.15398	1.8
239.16393	3.1
273.18417	2.3
291.19666	40.8
292.19958	3.0
309.20709	100.0
310.21140	9.7
319.00107	1.5
341.10812	2.2
355.11798	1.5
383.24377	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	383.1349
Annotation	Hymenoside T
Peak:m/z	Relative Intensity
50.78809	0.1
59.01249	1.1
64.12531	0.2
65.03833	0.4
71.01257	0.6
71.40121	0.3
85.02827	0.3
89.02332	0.3
93.03336	60.4
94.03669	1.7
113.02353	0.2
120.67619	0.2
124.71349	0.2
137.02344	100.0
138.02679	3.8
138.03658	0.3
143.05054	0.2
153.26512	0.2
221.08252	0.2
383.13339	0.9
387.86713	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	2.2
59.01251	100.0
59.27369	1.8
62.07957	1.7
70.35503	8.5
71.01251	39.4
72.45472	1.8
73.02839	4.3
83.01296	2.4
85.02840	10.9
87.00750	4.7
89.02320	3.4
101.02318	16.8
113.02331	7.9
133.02795	2.2
135.04387	11.8
147.06531	25.9
159.02805	2.1
161.04436	17.4
173.08104	7.4
177.01852	2.5
201.07643	4.3
205.03467	2.5
263.11331	34.0
289.18008	2.5
291.10849	9.1
322.51047	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
71.01253	30.1
71.18965	1.3
71.87315	1.6
73.02830	4.7
79.30853	1.5
83.01277	2.4
85.02830	14.6
87.00747	4.0
89.02334	3.3
95.01271	2.2
99.00763	3.5
99.07622	1.5
101.02328	13.6
113.02325	10.4
119.03423	1.5
123.04375	2.2
133.02882	2.4
135.04416	10.5
147.06544	26.2
159.02867	1.8
161.02444	2.2
161.04439	12.8
163.35471	1.4
173.08090	6.2
177.01857	2.6
179.03416	2.9
201.07654	3.3
250.43089	1.5
263.05380	1.7
263.11359	26.7
291.10941	8.1
292.11752	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03204	0.9
53.53820	0.8
59.01252	10.4
70.88754	2.4
71.01251	5.1
72.99183	1.0
77.27639	0.9
83.01219	1.1
85.02817	2.1
88.03914	1.1
89.02339	1.3
93.03313	1.4
99.00788	1.2
101.02348	1.6
108.02048	24.0
113.02264	1.9
118.01257	0.9
121.02841	14.2
121.82941	0.9
123.84824	0.9
125.02334	1.9
135.00748	1.7
135.04440	4.5
136.01529	4.1
136.05208	14.3
137.02299	1.6
137.05550	1.2
140.01041	1.3
149.02342	8.3
149.05997	1.0
151.03877	1.7
163.03918	19.4
164.04697	79.0
165.05025	4.9
168.04216	2.7
177.01817	1.3
178.02695	1.0
179.07051	100.0
179.10577	10.8
180.07365	6.3
271.71356	1.0
299.46570	1.0
323.15070	10.3
341.15945	9.1
342.16592	1.4
383.10138	2.1
383.18637	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65936	0.8
59.01247	3.1
64.75311	0.8
71.58402	1.8
108.02058	5.2
108.36232	0.9
121.02852	3.7
135.04404	2.6
136.05183	3.8
145.02863	1.3
149.02348	11.0
149.05977	1.1
151.03905	1.2
163.03941	11.1
164.04700	100.0
165.05302	6.1
179.07056	82.5
180.07397	4.3
293.89059	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65936	0.8
59.01247	3.1
64.75311	0.8
71.58402	1.8
108.02058	5.2
108.36232	0.9
121.02852	3.7
135.04404	2.6
136.05183	3.8
145.02863	1.3
149.02348	11.0
149.05977	1.1
151.03905	1.2
163.03941	11.1
164.04700	100.0
165.05302	6.1
179.07056	82.5
180.07397	4.3
293.89059	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0774
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
57.77235	0.7
59.01242	3.6
61.06555	0.8
68.99680	1.9
71.01276	2.0
72.20397	0.8
73.14407	0.8
84.81685	0.8
85.02837	1.2
87.00771	1.1
94.76067	0.8
96.21517	0.8
113.02327	0.9
121.02847	100.0
122.03183	4.3
145.02861	1.6
146.53865	0.8
147.04378	2.7
149.02351	2.3
153.04707	0.7
173.02408	1.1
181.06471	5.0
191.03467	8.5
225.05499	7.8
251.07071	3.7
271.04190	1.1
285.05740	2.2
295.06049	10.1
296.06491	1.5
308.90311	0.8
311.09280	13.2
313.07190	18.6
314.07492	1.6
339.08746	15.9
340.09070	2.1
383.07693	20.9
384.07907	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	383.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03204	0.9
53.53820	0.8
59.01252	10.4
70.88754	2.4
71.01251	5.1
72.99183	1.0
77.27639	0.9
83.01219	1.1
85.02817	2.1
88.03914	1.1
89.02339	1.3
93.03313	1.4
99.00788	1.2
101.02348	1.6
108.02048	24.0
113.02264	1.9
118.01257	0.9
121.02841	14.2
121.82941	0.9
123.84824	0.9
125.02334	1.9
135.00748	1.7
135.04440	4.5
136.01529	4.1
136.05208	14.3
137.02299	1.6
137.05550	1.2
140.01041	1.3
149.02342	8.3
149.05997	1.0
151.03877	1.7
163.03918	19.4
164.04697	79.0
165.05025	4.9
168.04216	2.7
177.01817	1.3
178.02695	1.0
179.07051	100.0
179.10577	10.8
180.07365	6.3
271.71356	1.0
299.46570	1.0
323.15070	10.3
341.15945	9.1
342.16592	1.4
383.10138	2.1
383.18637	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	2.6
68.36642	0.1
69.47385	1.1
71.01253	0.5
71.57748	0.1
72.99191	0.2
73.02822	0.1
81.03322	0.8
85.02836	0.3
89.02345	0.2
89.03843	2.1
93.03372	0.2
95.04913	0.2
96.95935	0.1
101.02327	0.3
104.02547	0.6
105.03352	3.6
109.02846	0.2
113.02340	0.2
119.04910	0.1
121.02837	0.3
125.02338	0.4
133.02858	8.9
134.03256	0.3
140.56557	0.1
143.06049	0.3
148.01602	0.6
149.02380	1.0
161.07129	0.8
176.01118	1.3
177.01860	100.0
178.02197	4.7
184.06015	0.1
193.04971	0.2
204.07701	0.7
205.03552	0.3
205.06110	0.1
225.70193	0.1
230.09291	0.2
270.12704	0.1
321.11047	0.2
338.13461	0.5
343.13940	0.2
381.08264	5.4
382.08884	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79330	2.7
59.01260	3.3
71.58025	4.6
74.98939	14.3
91.02080	45.4
93.00004	31.4
144.06871	2.6
159.08372	100.0
161.06313	12.8
188.50279	2.8
261.17035	2.6
303.09415	3.0
403.04376	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66241	0.5
55.01764	6.7
55.02013	0.9
56.05956	0.5
57.03330	4.5
58.00454	1.5
59.01253	36.0
67.25273	0.5
68.09485	0.5
69.03317	1.0
69.52052	5.0
71.01257	50.0
72.01597	0.7
72.99174	2.5
73.02821	27.9
75.00745	1.6
83.01256	11.2
84.02055	0.8
85.02824	27.1
85.06480	0.7
85.20432	0.5
85.99973	2.0
87.00758	3.4
89.02322	11.3
91.10567	0.5
95.01257	3.3
97.02837	2.3
99.00764	10.6
101.02325	53.8
102.02652	1.3
103.03983	0.6
111.00742	1.5
113.02340	18.7
115.03910	1.2
125.02335	3.8
129.01846	1.6
129.09151	0.6
131.03418	2.9
133.31128	0.6
143.03432	2.9
149.04478	2.0
157.08633	0.8
159.02925	3.5
161.04468	19.0
205.03555	0.7
233.06558	2.6
249.13414	100.0
250.13759	5.4
293.12564	1.5
307.04449	0.9
307.54932	0.8
381.17664	74.7
382.17993	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	381.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	6.6
57.03332	4.0
58.00452	1.9
59.01253	33.0
69.03328	1.3
71.01257	63.5
72.01592	1.1
72.99169	2.9
73.02822	31.3
75.00745	2.4
83.01261	12.8
85.02826	33.0
85.99928	1.2
86.03145	1.1
87.00748	3.8
87.08037	1.1
89.02322	12.7
90.02596	0.7
95.01283	3.9
97.02826	2.6
99.00771	13.9
101.02325	59.3
111.00751	2.4
113.02333	26.2
114.02691	0.7
115.03888	2.2
119.03429	0.9
121.02848	1.3
123.04395	1.2
125.02342	5.4
129.01865	1.7
131.03392	2.7
133.02858	0.9
143.03397	2.8
149.04482	2.0
159.02904	5.3
161.04482	29.2
162.04770	0.9
176.01073	2.3
177.01869	23.7
178.02208	1.3
205.03430	1.3
224.04796	0.6
233.06624	1.9
249.13420	100.0
250.13724	5.3
277.14578	1.1
289.06207	0.7
289.84793	0.7
292.94562	0.7
293.09427	0.8
293.12479	1.3
360.37378	0.7
381.07907	2.1
381.17676	86.5
382.17981	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	382.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74504	1.5
58.78018	1.3
59.01254	100.0
61.59501	1.3
63.33186	1.4
71.01263	1.7
73.23543	1.3
95.48017	1.4
97.49339	1.3
98.19817	4.5
101.02321	1.5
151.42110	1.3
164.41101	1.3
170.41193	1.4
192.46294	1.5
229.40672	1.9
352.73120	1.7
393.31033	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.6
59.01251	100.0
60.01578	1.2
69.28888	5.1
69.29317	2.6
71.01255	9.3
72.99166	1.0
75.61266	0.6
85.02849	2.8
87.00775	0.9
88.22948	0.7
88.27013	0.7
89.02320	13.5
89.02837	1.1
92.35780	0.8
98.19812	1.3
99.79714	0.7
101.02327	4.1
101.05987	0.7
113.02322	4.3
115.84733	0.7
119.03364	4.2
129.09145	2.8
134.96565	0.7
161.04489	1.2
179.05634	2.3
185.85645	0.7
275.12759	1.0
325.50534	0.8
379.15988	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	379.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.1
59.01254	100.0
60.01593	1.8
61.65364	1.0
70.46899	3.2
70.47306	1.4
71.01257	17.4
72.99187	1.2
73.02820	2.7
75.00730	2.0
83.01260	1.6
85.02826	7.2
87.00765	2.0
87.51916	1.0
88.03926	3.3
89.02326	10.8
99.00746	2.5
101.02335	13.7
113.02335	8.6
115.00277	2.0
116.76268	1.0
119.03385	2.9
120.03042	0.9
125.02320	1.4
129.01836	1.2
132.02919	1.5
152.99484	1.2
154.53842	1.3
159.02921	1.3
161.04475	10.4
165.03900	2.3
177.05489	1.7
319.17618	34.0
320.17987	2.3
377.51199	1.1
379.15808	1.5
379.19827	1.3
380.16855	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	380.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02840	1.1
59.01253	27.0
59.27295	0.6
62.93805	0.7
67.51463	0.6
69.56679	2.5
69.57110	3.7
69.87116	0.7
71.01250	25.0
72.23147	0.7
72.30453	0.7
83.01260	0.8
85.02805	1.4
88.03915	71.7
88.35431	0.8
92.81651	0.8
100.13354	0.7
101.02351	1.6
113.02318	0.8
113.06012	1.1
114.01850	0.9
115.00252	23.2
115.90884	0.7
118.68010	0.7
125.06021	3.7
132.02016	1.2
132.02928	14.7
136.05190	2.1
138.06746	1.6
151.07578	2.9
152.08336	11.4
152.99501	0.9
153.09120	10.9
165.09138	1.2
167.10661	1.1
178.09904	9.5
179.10570	0.8
181.17912	0.8
184.09775	0.9
187.11195	4.2
191.10681	4.9
203.14375	10.2
205.12253	1.4
221.15421	2.8
233.06409	0.7
246.15070	5.2
247.13266	3.5
249.13507	1.1
264.16037	42.6
265.14160	7.8
265.16504	2.1
321.19003	1.5
336.18210	8.8
362.16354	3.8
380.17130	100.0
381.17419	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	380.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28294	2.8
58.85150	2.5
59.01252	100.0
60.62326	2.3
61.98720	3.5
69.96629	13.7
78.95783	5.6
84.79756	2.9
89.65086	2.6
98.19846	2.9
143.46991	3.0
152.99510	3.4
174.72188	2.4
174.99138	2.8
217.00195	13.1
246.86002	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23655	6.0
51.73967	5.4
59.01251	100.0
64.64536	6.3
69.54980	49.9
71.01256	7.5
71.95502	6.6
76.78007	5.6
85.02824	8.1
103.00269	18.3
119.04918	22.8
120.42428	6.4
144.70224	7.1
149.04472	23.9
152.99481	14.8
163.03925	25.6
165.43381	6.8
191.05504	22.3
251.87259	6.7
317.12296	7.0
373.28891	7.4
397.86169	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	379.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32193	0.5
55.92377	0.6
58.00461	0.5
59.01253	100.0
60.01575	1.3
63.96710	0.4
68.15944	0.5
69.49580	1.1
69.49980	3.8
71.01257	9.4
72.99178	0.5
73.02834	0.5
75.00744	0.7
78.95821	0.5
85.02847	2.3
87.00775	1.1
89.02316	13.7
89.02822	1.0
95.01290	1.2
98.20106	2.1
101.02326	5.1
101.05978	0.6
113.02325	5.2
119.03389	5.0
129.09120	2.3
131.03459	0.7
134.72581	0.5
143.03439	1.1
161.04478	1.3
179.05539	2.9
222.74942	0.5
253.02150	0.6
275.12949	1.1
345.88901	0.7
379.16116	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	379.161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02649	2.0
55.91522	1.6
59.01252	100.0
70.73862	7.5
71.01237	3.6
94.93003	2.0
101.02337	5.3
109.53343	2.1
125.02367	2.3
161.02277	2.6
186.04396	1.8
347.70068	2.2
360.57220	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	379.1612
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.90633	1.6
54.94197	2.0
55.10277	1.9
56.58290	1.8
57.03321	2.1
58.00461	2.9
59.01253	99.4
71.01254	70.5
71.01657	2.8
71.59225	3.1
72.99192	7.3
73.02828	16.5
77.68111	1.7
82.74838	2.0
83.01247	3.3
85.02811	13.4
87.00758	5.4
89.02319	100.0
90.02654	2.6
95.01250	5.9
95.03488	1.9
99.00767	21.3
99.04402	2.0
101.02329	47.9
109.02834	3.3
113.02345	18.6
115.03908	2.2
118.46214	1.9
118.97411	2.2
119.03393	22.3
121.44679	1.9
122.06016	1.7
123.00769	2.4
125.02341	16.6
130.61606	1.9
131.03397	15.7
135.04457	2.6
137.02332	6.1
138.03061	2.3
143.03409	5.6
149.04469	40.7
161.04448	8.5
169.01315	4.6
177.01863	3.7
179.05542	13.0
191.05547	10.1
199.09584	2.0
247.11749	5.9
275.12833	4.7
301.03622	3.0
301.07104	2.1
379.11581	3.3
379.16000	32.7
379.23450	3.8
380.11212	1.9
380.16409	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	379.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55991	1.3
58.00473	3.3
59.01253	64.1
66.36208	1.1
70.92920	2.5
70.93239	1.6
71.01256	40.6
72.99171	3.2
73.02820	4.8
73.67271	1.2
74.33675	1.3
83.01257	2.6
85.02830	8.0
87.00763	1.4
89.02321	39.9
90.02691	1.5
95.01279	2.2
97.38869	1.3
99.04343	1.1
101.02333	18.5
113.02335	14.7
114.51098	1.2
119.03391	17.4
125.02325	2.0
136.31805	1.2
137.09622	4.6
143.03395	1.9
143.07062	2.1
149.04512	2.1
150.03151	2.7
155.10684	100.0
156.11031	3.1
161.04497	2.8
165.05455	3.7
174.03156	1.1
179.05586	4.9
195.06512	2.1
199.09691	84.9
200.10039	4.5
217.10927	1.6
331.11783	1.6
379.16119	24.7
379.23306	1.7
380.16345	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	379.0799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50981	0.4
53.11423	0.4
58.44563	0.3
63.33804	0.4
68.70316	0.4
70.77731	1.3
76.81207	0.4
94.67668	0.4
107.58459	0.3
121.02797	0.5
149.85085	0.4
183.04405	1.9
195.04440	6.8
195.08096	0.4
210.06870	0.7
211.03928	5.3
223.03964	1.5
225.05391	0.4
238.02527	0.4
239.03462	37.8
240.03857	2.9
253.05040	0.5
254.05817	20.8
255.06134	1.8
266.02307	0.9
267.02975	9.7
268.03149	1.0
281.04532	0.8
282.05325	85.4
283.05701	8.7
290.65897	0.4
297.07666	100.0
298.07996	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	379.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78624	1.5
59.01257	59.0
61.74154	1.7
69.30692	17.3
69.50224	1.5
71.01262	9.9
71.04891	4.9
72.99162	1.7
75.00756	2.3
83.01280	2.5
83.82637	1.4
85.02834	5.8
87.00679	1.6
89.02328	5.0
95.01245	2.6
99.04395	3.5
101.02325	3.7
104.32175	1.8
109.02830	5.7
111.00726	1.9
113.02319	4.4
122.03619	5.7
123.00761	3.0
123.04410	5.6
124.01637	1.8
125.02343	16.5
135.04413	13.4
137.02333	10.7
139.03932	1.9
147.04446	5.4
149.06001	2.5
151.00253	2.2
159.04449	8.0
161.02345	5.7
161.05998	6.2
162.03186	9.0
163.00243	1.7
163.03909	26.8
163.07555	22.7
165.01810	3.6
167.03427	3.2
169.01315	4.1
173.05989	2.7
175.03922	6.4
175.07576	5.0
176.04736	11.0
177.01964	2.0
177.05513	23.4
178.06233	4.0
187.03825	2.3
203.07138	16.3
204.07867	36.1
205.05083	2.0
211.41530	1.9
216.07892	2.7
221.04573	1.9
234.09000	2.2
267.88153	1.5
268.09384	1.7
275.12897	100.0
276.13211	7.6
276.70663	1.6
285.08716	3.9
301.03506	3.2
319.11826	5.6
379.15500	3.4
379.19659	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	379.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95462	1.3
55.01752	1.9
57.03325	100.0
58.03666	1.6
59.01250	91.4
59.34229	1.1
60.65072	1.4
71.01254	25.2
71.57499	1.1
71.57966	2.4
72.99175	1.7
73.02823	11.4
79.61899	1.1
83.01260	5.1
85.02815	11.1
89.02321	10.6
95.01244	2.0
99.00758	3.5
99.04397	70.3
100.04733	1.8
101.02320	41.0
102.02636	1.3
113.02328	10.2
119.03394	4.1
121.24416	1.2
125.02328	18.7
126.38700	1.1
132.02841	1.4
138.03101	1.2
143.03400	1.6
145.72398	1.2
152.99603	1.4
159.02829	1.6
161.04523	7.1
161.79765	1.2
173.04366	1.3
177.35872	1.3
199.13315	5.0
207.55063	1.2
216.47636	1.2
217.14365	2.2
219.27866	1.1
233.06598	1.6
235.11826	29.1
236.12044	3.2
343.14066	1.8
361.18585	1.9
379.15765	2.7
379.19754	28.2
380.20233	1.3
396.60577	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91391	0.7
59.01247	5.3
70.15951	2.8
70.16364	1.7
71.01253	19.9
88.03913	100.0
89.04252	1.7
98.20493	0.8
101.61138	0.8
108.04425	0.8
109.02814	1.3
110.05994	3.1
114.01838	1.7
115.00252	22.6
120.08048	2.0
125.05972	3.9
132.02914	48.7
133.03212	1.2
136.05182	2.9
149.05943	1.1
151.07610	1.0
153.09099	0.8
163.07526	1.0
165.09166	4.0
185.09573	1.0
185.97316	0.9
188.80112	0.8
189.09126	0.8
201.12762	9.0
202.09908	1.0
203.10735	5.0
203.14540	1.1
204.11479	5.9
219.13866	10.6
230.09473	2.1
244.13451	2.4
245.11775	7.7
247.12202	1.4
262.14435	8.1
263.12820	10.1
264.13177	1.3
316.15793	1.1
331.85632	0.7
334.16599	9.4
335.16934	1.8
378.15549	70.7
379.15915	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	377.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	21.2
70.10856	2.6
72.14141	0.5
81.82870	0.5
95.04901	3.4
98.20461	1.0
99.92464	1.6
113.09595	0.7
123.08056	0.6
125.09614	1.5
141.12695	0.6
151.11162	1.5
159.01369	0.6
171.10196	23.6
171.11650	1.4
172.10484	1.1
179.14391	1.1
195.13866	6.8
209.07843	0.6
229.19495	0.6
231.18126	0.6
249.22203	1.2
259.20663	0.6
275.19968	0.6
277.21750	35.8
278.11334	2.1
278.22052	2.6
295.22797	100.0
296.23135	11.0
317.20990	34.2
318.21222	3.6
335.20599	1.8
338.12378	0.7
341.10983	1.1
361.19980	4.9
377.22510	18.2
378.22287	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	377.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.8
59.01253	22.4
69.25276	4.0
69.25702	4.0
95.04881	0.8
98.19766	1.5
116.82423	0.7
125.09644	1.1
134.70396	0.7
141.12749	0.9
151.11198	1.0
171.10184	32.4
172.10533	1.3
209.07932	0.8
233.22824	1.1
247.15254	0.9
249.22241	1.3
277.21732	37.7
278.22055	3.2
295.22787	100.0
296.23090	9.3
317.20956	31.6
318.21274	3.1
335.20810	1.8
336.64883	0.7
361.19980	4.4
377.22754	18.3
378.22937	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	377.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56488	0.7
59.01239	1.0
71.21468	1.3
78.95790	1.0
82.07153	0.7
99.92468	5.3
115.91947	0.8
141.12733	9.8
155.14302	3.6
241.21712	1.3
249.22195	8.6
295.22781	100.0
296.23093	10.3
310.24652	0.9
315.47717	0.7
331.01938	0.7
377.22916	2.4
378.14954	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	377.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.8
57.03327	21.5
58.00465	1.5
59.01256	14.7
66.12031	0.7
68.97458	0.7
69.03341	2.1
71.01250	3.2
71.04874	1.6
71.59827	1.0
73.02821	5.1
75.00749	1.4
83.04896	2.5
85.02833	2.6
85.06490	1.0
87.04392	15.3
89.02318	1.1
92.97379	0.8
93.03350	1.2
97.06474	4.0
99.08025	2.8
101.02351	0.7
101.05965	2.4
109.06509	3.7
111.08034	2.9
113.02348	1.7
113.09598	2.6
118.93792	0.7
123.08053	8.6
125.09619	1.7
127.07556	1.1
129.09122	5.8
135.04486	0.9
135.08012	2.9
137.09610	1.4
138.06798	2.1
139.07524	1.5
139.11206	1.9
141.09132	6.1
143.10686	2.8
151.11182	1.7
153.09123	8.1
155.10652	2.2
159.10168	0.9
165.09174	0.7
167.10738	1.9
169.12276	4.5
171.13826	0.9
173.11745	3.7
187.13324	14.0
199.13344	1.5
201.09357	1.1
202.06285	1.8
210.97182	0.8
215.12741	0.8
216.13602	1.0
217.14426	7.4
241.12253	1.6
255.19820	1.1
257.21085	1.5
273.12259	1.1
273.15005	6.2
297.20767	0.9
301.23920	1.5
317.23254	3.9
331.24844	1.7
359.28046	1.8
375.27451	5.5
377.29074	100.0
378.29388	8.7
403.99835	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46241	0.4
57.03325	1.6
59.01255	8.4
65.03849	1.0
69.03340	0.7
71.01257	4.3
71.60202	0.7
72.99192	0.7
73.02831	1.2
75.00748	0.5
81.03347	0.7
83.01312	0.6
83.04907	2.4
85.02832	9.7
87.00764	1.0
88.19097	0.4
89.02331	2.3
89.03870	1.0
91.05476	0.6
93.03343	36.9
94.03667	1.3
95.01276	0.7
95.04968	0.6
97.06379	0.4
101.02311	2.0
105.03367	0.9
107.04918	3.9
108.02087	0.4
109.02847	7.4
110.02363	2.1
111.00780	0.9
111.04411	5.4
113.02353	1.4
115.01794	0.5
117.03363	2.3
119.03414	0.6
119.04934	1.0
121.02874	2.7
122.03642	0.6
123.04425	2.3
125.02327	0.5
129.01820	0.9
132.02084	1.1
133.02858	27.2
134.03671	8.3
135.04422	90.9
136.04759	3.2
137.02345	18.5
138.05510	0.8
139.03911	0.7
141.07037	0.7
144.56491	0.5
147.02847	0.7
147.04425	1.5
149.02339	1.6
149.03407	0.4
150.03133	1.5
151.03893	0.6
155.03413	4.3
159.04431	3.8
161.02362	100.0
162.02716	3.6
163.03967	0.5
165.01756	0.5
165.05475	1.8
165.06914	0.8
172.05258	0.7
173.06017	1.3
174.06824	2.2
175.03897	0.9
177.01895	0.8
178.02655	1.0
179.03430	47.7
180.03786	1.1
181.06476	0.8
183.08145	1.0
185.06027	4.4
191.01886	2.2
193.06517	2.8
195.06627	0.7
197.11717	0.9
199.07504	0.6
201.05380	0.8
201.09157	1.0
203.03473	1.1
205.03622	0.5
209.06038	5.7
210.06703	1.3
211.07600	24.7
212.07925	1.7
213.05476	1.1
214.06166	0.5
215.05493	0.4
227.07182	0.7
229.05031	1.4
229.08676	5.7
230.08994	0.5
255.06595	13.6
256.06979	0.8
271.06250	0.6
273.07700	33.4
274.08047	2.5
297.08786	1.0
299.05530	1.8
317.06650	16.3
317.10403	0.8
318.07028	1.4
335.20746	0.5
345.11273	0.5
377.08853	2.8
377.13544	0.7
377.17880	3.4
377.21893	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	26.5
60.68327	1.1
61.33071	1.2
70.72613	1.7
71.06366	2.1
71.06704	1.8
78.13116	1.2
78.95783	1.9
82.20212	1.2
90.18910	1.3
130.55185	1.2
155.14310	2.5
171.10202	26.8
183.10159	1.5
277.21729	27.7
278.22064	4.0
295.22769	100.0
296.23212	9.7
300.39740	1.3
317.20990	13.2
377.23096	21.3
378.23337	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.6
59.01254	3.4
62.05281	0.2
65.03827	0.8
69.26649	0.2
69.72716	1.5
71.01248	1.2
81.03342	0.7
83.01269	0.5
83.04919	1.3
85.02828	4.4
87.00793	0.3
88.17115	0.2
89.02338	0.5
89.03835	0.6
91.05418	0.5
93.03339	17.5
94.03675	0.7
98.19763	0.3
101.02332	0.6
107.04906	1.6
108.02055	0.3
109.02847	1.1
111.00769	0.3
111.04407	3.9
113.02319	0.4
117.03345	1.1
119.04970	0.3
121.02853	0.7
123.00829	0.4
125.02305	0.3
129.01816	0.4
132.02055	0.3
133.02861	8.5
134.03659	7.3
135.04417	100.0
135.97423	0.2
136.04750	4.0
137.02350	11.3
139.03937	0.3
146.03603	0.3
147.02904	0.5
151.03731	0.3
155.03413	5.0
159.04472	0.5
161.02354	23.9
162.02681	1.1
165.07085	0.3
178.02673	0.5
179.03424	65.0
180.03767	2.9
181.06540	0.3
185.05984	0.5
191.01924	1.0
193.06532	0.8
194.06924	0.2
209.05989	1.5
210.06534	0.3
211.07591	9.0
212.07970	0.3
229.08661	0.8
255.06612	6.6
256.07050	0.4
273.07736	2.2
299.05582	0.3
317.06653	2.1
335.07697	0.7
345.11194	0.3
377.08716	2.0
377.18234	1.1
377.22168	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.5
57.03321	1.7
57.35760	0.5
59.01254	10.0
60.36638	0.5
62.05772	0.4
65.03825	0.9
69.03317	1.2
71.01253	3.6
71.58989	0.9
72.99197	0.7
73.02799	0.8
74.02351	1.0
75.00732	0.8
81.03324	0.8
83.01250	0.7
83.04900	2.2
85.02821	11.1
87.00755	2.5
89.02328	2.2
89.03845	1.0
93.03336	36.8
94.03667	1.4
95.01286	0.9
95.04913	0.5
101.02319	2.2
105.03354	0.9
105.15032	0.5
106.04133	0.6
107.04901	3.6
109.01571	0.8
109.02837	7.3
109.58793	0.5
110.02365	12.7
111.00776	3.4
111.04404	7.1
113.02347	1.4
116.04941	1.1
117.03323	2.5
119.03386	0.6
121.02843	2.2
123.04433	1.8
124.03924	1.3
125.02341	0.7
126.55875	0.5
129.01839	1.3
132.02074	1.0
133.02849	29.0
134.03650	8.3
135.04414	100.0
136.04755	3.9
137.02342	18.1
139.03946	0.6
141.06999	0.6
146.03638	0.8
147.02925	1.2
147.04373	1.1
149.02287	1.0
150.03114	0.7
151.03952	0.9
155.03419	5.9
159.04480	4.1
161.02353	91.8
162.02687	4.7
163.03831	0.6
165.05431	1.0
165.07005	0.6
173.06056	0.8
174.06720	1.2
175.03824	1.0
177.01860	2.3
178.02594	1.7
179.03427	55.1
180.03812	3.1
183.08083	0.7
185.05998	4.6
186.06715	0.5
189.05495	0.7
191.01955	3.8
193.06535	1.9
196.05206	1.0
197.11752	0.7
199.07687	0.7
201.09099	0.6
203.03500	0.5
203.08238	1.4
209.06012	5.0
209.10660	0.5
210.06670	1.1
211.07587	23.5
212.07922	1.5
213.05589	0.5
214.06139	0.5
227.07092	0.6
229.04971	0.9
229.08675	5.9
235.08777	2.3
237.05528	0.6
253.09973	2.3
255.06598	15.7
268.95667	0.5
273.07666	27.5
274.08047	2.2
297.08795	6.4
298.09201	0.5
299.05518	2.0
317.06665	13.0
317.19595	0.5
318.07025	1.0
333.09961	0.7
335.20654	0.9
339.60965	0.6
341.07416	0.8
377.08890	4.2
377.13260	0.7
377.17871	4.1
377.21915	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	7.8
68.85402	1.2
70.29704	1.4
70.71559	3.7
70.71912	1.4
71.87296	1.2
80.12948	1.1
82.17136	1.3
97.88197	1.3
98.78420	1.3
129.24931	1.7
153.12772	3.8
166.75153	1.3
169.15927	3.6
169.99535	1.1
181.15907	2.1
191.21928	1.1
195.17480	8.9
200.34340	1.1
217.00293	1.5
218.00667	1.7
222.18585	52.4
223.18982	3.2
225.03378	1.3
234.68536	1.2
250.21754	42.3
251.22031	4.0
257.99396	1.3
267.25821	1.3
283.74118	1.4
294.20737	100.0
295.21167	8.3
376.21121	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	376.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	5.5
63.02256	4.4
65.00201	4.2
65.99711	22.1
69.29795	8.4
69.30215	23.9
71.01237	3.6
74.69364	3.0
75.31748	2.4
77.25442	2.3
78.53545	2.5
79.76997	2.9
81.03326	3.2
82.02868	5.7
93.03345	5.9
95.01258	9.7
97.02828	3.1
98.02351	8.5
98.20492	6.0
99.00759	35.2
106.85712	2.6
107.01278	8.3
109.02847	17.3
111.00755	10.0
111.04396	3.2
113.02319	4.4
118.02850	3.5
120.69908	2.6
121.02869	5.6
122.02375	6.1
123.00753	19.6
124.01613	13.7
125.02370	34.9
134.02391	4.5
137.02338	36.6
139.00267	17.8
139.03911	10.6
140.03445	11.1
141.01842	23.1
145.02806	4.1
147.00801	5.6
149.02312	4.9
151.00267	30.3
151.03886	3.3
152.01073	14.1
152.03387	3.2
153.01839	28.2
155.03383	3.8
161.02296	4.5
162.01865	20.6
163.00269	8.8
163.02533	2.9
163.03905	6.8
164.03415	22.4
165.01828	37.6
166.01387	4.6
166.02654	3.1
166.99759	12.4
167.03412	32.1
168.00443	4.1
169.01280	9.4
175.00317	11.2
176.01028	3.0
176.03441	4.8
177.01846	24.5
178.99783	44.5
179.03285	3.2
180.02982	13.5
181.01358	19.5
182.02032	4.5
182.04433	15.0
189.01837	5.8
190.01334	6.7
191.03467	14.1
192.02969	4.2
193.01358	100.0
194.01744	5.1
194.99269	16.7
195.02946	6.7
203.03355	4.5
204.02957	6.9
205.01389	4.8
207.02895	3.8
208.02464	8.4
213.01883	4.7
217.01416	14.8
218.00896	25.9
220.02531	11.2
222.04051	7.3
231.02942	8.5
235.02454	10.4
236.02118	5.4
245.04413	3.8
249.04068	4.5
250.03500	7.7
255.02872	3.3
259.02393	5.3
269.15591	3.0
273.04059	6.3
296.05496	3.9
299.02072	3.3
317.03055	11.2
330.05618	3.0
334.03336	3.1
335.04120	7.6
340.04645	8.2
358.05698	29.3
376.06732	50.5
377.06824	3.9
381.68362	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	376.067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45934	3.4
57.03305	7.0
59.01244	4.1
63.02232	4.2
65.00194	4.3
65.99714	24.1
71.01261	4.1
71.49339	7.8
82.02869	3.9
83.01265	5.1
93.03321	5.0
95.01273	10.2
97.02853	5.2
98.02351	9.0
99.00745	38.4
99.54743	3.4
105.03315	4.3
107.01262	11.0
109.02844	12.7
111.00750	11.7
113.02300	4.0
118.02908	3.7
120.17303	3.9
121.02868	8.6
123.00773	16.4
123.04379	4.7
124.01554	5.5
125.02328	39.6
134.02333	6.5
135.04443	3.7
137.02324	26.6
138.02623	4.2
139.00247	19.3
139.03888	10.7
140.03423	12.8
141.01828	23.5
146.02417	4.1
147.04369	5.5
149.02325	8.8
151.00305	29.1
151.03886	6.3
152.01024	18.0
153.01836	32.6
160.04041	3.7
162.01872	30.9
163.00259	8.0
164.03444	22.2
165.01837	30.8
166.99773	14.0
167.03421	32.4
168.00511	5.1
169.01337	12.1
175.00290	16.0
177.01820	24.3
178.99783	44.0
180.02911	11.7
181.01358	18.8
182.02118	5.2
182.04494	19.8
183.02904	3.9
189.01773	10.7
190.01343	10.2
191.03397	16.8
192.00461	4.5
193.01353	100.0
194.99277	22.2
195.02928	5.4
203.03375	5.1
204.02834	6.3
208.02399	8.5
217.01353	14.2
217.05000	4.1
218.00865	25.6
220.02402	12.3
222.03984	11.2
227.03387	5.5
230.02135	4.5
232.02437	4.4
233.04474	6.2
235.02466	9.0
245.04436	4.1
250.03506	9.0
255.03049	5.2
273.04080	7.2
317.02982	16.9
330.84500	3.9
335.04037	5.3
340.04651	11.9
358.05716	36.2
376.06805	48.0
377.07083	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	375.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32794	1.0
57.03321	19.0
58.00467	2.9
59.01251	18.5
67.01759	1.0
69.03328	4.7
71.01260	10.6
71.04897	13.1
71.60081	1.2
72.99170	2.9
73.02821	17.4
75.00746	5.8
75.19046	1.0
81.03349	1.1
83.04904	4.9
85.02818	15.3
85.06453	5.3
86.11094	1.0
87.00741	2.4
87.04392	24.5
88.13581	1.0
89.02328	2.7
93.03351	1.3
95.04906	3.2
97.02811	1.3
97.06466	12.5
99.00764	3.5
99.04404	2.1
99.08017	7.9
101.02329	3.1
101.05939	1.2
103.37348	1.0
109.06480	7.2
111.08067	6.2
113.02332	6.5
113.09605	5.5
115.07558	2.9
115.93478	1.0
117.01830	1.0
121.06531	1.2
121.10130	21.3
123.05562	2.1
123.08046	8.8
125.06045	1.5
125.09601	6.5
127.07542	3.1
127.11178	4.2
129.09116	11.8
135.08025	3.7
137.09624	24.1
138.09923	1.2
139.07570	4.8
139.11186	1.9
141.09113	3.2
143.10681	22.3
149.05901	1.4
149.09622	1.3
151.11198	2.0
153.09100	6.3
153.12756	1.3
155.10693	6.7
157.12268	9.6
159.10176	13.3
163.11259	1.6
165.09128	4.2
167.10684	1.8
169.12238	4.1
171.13838	4.7
173.11761	16.6
179.10698	1.5
181.12256	4.1
183.13817	4.4
185.11746	1.7
187.13329	6.4
197.11838	1.7
199.13313	6.6
201.14928	8.5
203.12801	1.1
213.05632	1.4
216.13707	1.9
217.14404	73.3
218.14674	4.3
229.18069	4.5
231.15652	1.1
249.06087	1.5
250.09454	1.9
255.19839	1.0
262.34927	1.1
267.07248	3.8
268.07489	1.1
287.22260	4.9
313.23950	1.8
314.94366	1.1
315.25369	11.3
317.23273	5.9
327.25281	1.2
345.26447	2.7
357.26437	4.4
373.25653	1.7
375.27515	100.0
376.18076	1.4
376.27817	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	375.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32050	0.5
57.03321	1.1
59.01252	17.6
62.83360	0.5
66.38459	0.4
69.78306	3.2
93.03340	0.5
97.06460	1.2
123.08048	0.8
125.09641	3.9
138.25673	0.5
141.12718	1.4
149.09645	1.7
167.81801	0.5
174.99150	0.7
185.11761	10.7
197.11833	2.8
209.07935	0.6
217.00252	2.7
247.20628	1.8
249.22221	1.2
275.20148	0.7
293.21237	100.0
294.21600	9.3
315.19406	32.7
316.19711	3.1
375.21341	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	375.215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	42.8
63.44926	1.4
66.92925	1.3
70.33434	3.0
70.33835	3.2
72.45023	1.4
94.86678	1.5
95.04906	4.1
99.92484	1.5
117.19728	1.3
121.10118	27.8
125.09592	2.0
127.11240	1.4
171.10185	57.6
172.10533	1.6
185.11726	2.3
207.09958	1.8
217.00343	3.4
231.21208	7.3
236.41168	1.4
253.09286	2.9
275.20163	100.0
276.20578	6.4
278.11334	12.5
281.84247	1.5
293.21249	71.1
294.21646	7.8
315.19418	33.7
316.19730	3.3
333.19592	1.5
359.18579	4.1
375.20956	27.3
376.21832	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	375.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96357	1.0
59.01253	37.5
59.75307	0.9
71.19064	2.2
72.51285	1.0
83.04958	1.0
95.04899	4.0
99.92491	1.5
109.06514	1.4
112.25655	0.9
121.10123	28.3
123.08055	1.0
125.09608	1.6
154.64682	1.0
163.33290	0.9
171.10182	63.6
172.10573	2.6
176.58958	1.0
177.16467	1.2
185.11798	2.4
207.09941	2.2
209.07890	1.1
217.00374	1.6
231.21207	5.1
253.09297	2.0
254.03166	1.1
275.20157	100.0
276.20514	8.3
278.11349	10.1
293.21219	73.3
294.21649	7.8
297.18369	2.2
315.19412	37.8
316.19720	2.6
323.72284	1.1
329.17145	1.0
359.18338	6.9
375.21191	25.6
376.21265	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	6.2
59.01250	27.4
61.55785	1.3
66.43203	1.1
69.44297	1.0
69.92334	6.9
92.17638	1.1
93.03329	1.9
113.09612	20.6
121.06497	3.8
121.10082	1.9
139.11169	2.9
167.10748	2.6
171.10197	5.8
177.12836	1.6
179.10727	1.8
195.13852	2.5
196.01830	1.4
217.00307	2.7
244.01540	1.6
247.09543	1.4
247.20738	2.3
249.11270	1.2
249.22270	2.8
272.14059	2.1
275.20139	7.9
293.21252	87.3
294.21588	6.3
315.19418	100.0
316.19699	8.9
316.66037	1.4
375.21082	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	375.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.8
59.01253	100.0
60.01593	1.1
67.20055	0.5
71.01261	4.3
71.58949	1.0
73.02844	1.1
83.01284	0.6
85.02811	2.8
89.02315	1.8
99.00758	0.9
101.02332	3.0
113.02373	2.3
113.59372	0.5
119.03370	0.6
123.05545	1.0
159.64276	0.6
161.04556	1.9
315.18253	2.1
375.20071	1.6
375.27768	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64241	0.4
55.01746	1.4
57.03318	2.0
58.00463	2.1
59.01254	47.9
71.01257	29.1
71.60303	0.4
72.01592	0.5
72.99186	3.5
73.02809	1.3
74.63889	0.4
75.00750	1.3
83.01267	1.9
85.02827	6.8
87.00755	0.9
89.02319	23.8
93.64561	0.4
95.01275	2.2
99.00741	0.8
101.02328	17.5
113.02332	10.6
119.03392	9.2
123.05560	0.7
131.03456	0.5
137.02245	0.5
149.04521	0.6
150.03098	0.4
165.04005	0.8
179.05356	0.5
183.13843	2.7
195.13852	12.2
196.14247	0.7
213.14964	4.9
227.12950	2.0
239.65178	0.4
298.55359	0.5
315.12479	0.6
345.13351	0.6
357.19119	0.9
375.20242	100.0
376.20563	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	375.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25788	0.8
62.37247	1.0
70.15141	5.0
74.98944	1.3
79.56645	0.8
93.00025	1.8
97.56566	0.9
106.61028	0.9
116.89528	1.2
159.08362	10.8
161.06300	3.9
163.14848	1.1
190.82072	1.0
209.01248	2.2
217.07129	1.5
237.46260	1.3
275.05789	1.2
277.07556	3.0
289.07535	1.5
291.09091	97.8
292.09192	13.2
309.10156	3.0
357.13797	2.4
359.15335	100.0
360.15469	15.6
375.18411	4.8
377.16412	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	375.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01596	0.8
71.01251	4.5
73.02838	1.2
85.02841	1.4
89.02350	1.2
98.16496	0.7
101.02338	2.6
111.75985	0.8
113.02336	1.6
159.02975	0.8
161.04506	2.3
305.43896	1.0
376.11697	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26026	0.7
59.01249	100.0
69.65092	1.4
69.65499	3.6
71.01263	2.7
73.02820	1.0
80.82081	0.7
85.02825	1.5
89.02349	0.8
98.59054	0.8
101.02338	2.2
119.03440	0.8
124.73309	0.9
146.50337	0.8
161.04507	1.7
165.82527	0.7
174.99152	1.8
204.63152	0.8
207.50577	0.8
217.00247	5.6
315.18170	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	12.4
59.01525	0.7
59.49778	0.5
62.06329	0.5
66.90852	0.6
69.93697	3.3
71.01249	12.2
71.01607	0.7
76.87512	0.5
97.97247	0.5
98.20281	1.5
99.92487	1.0
127.07555	1.3
148.05197	0.7
164.08316	1.1
174.99176	2.9
177.09102	5.3
178.09276	0.6
190.09952	2.3
191.10457	0.5
192.11502	7.8
193.12083	1.1
205.12256	4.2
207.13763	1.3
216.80244	0.5
217.00238	8.8
217.08556	0.9
218.09441	3.1
220.14633	44.1
221.15408	100.0
222.15735	8.6
235.10094	0.5
235.13326	1.9
236.10498	89.9
237.10849	7.6
238.13280	0.7
240.63226	0.5
264.08472	1.3
292.11646	0.9
293.17593	36.8
294.17859	3.5
318.09570	5.5
319.10025	0.9
321.15469	2.5
335.13483	0.8
337.92334	0.5
375.17844	5.7
375.27386	0.7
376.17963	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00869	0.8
67.43242	0.8
68.78139	0.8
69.52181	7.4
74.98943	1.7
75.90037	0.8
86.67524	0.7
92.99999	2.3
116.30698	0.9
119.81027	0.7
159.08380	9.4
161.06274	3.6
177.20349	0.8
179.46300	1.1
197.11263	0.8
209.01212	1.8
217.07013	0.9
277.07520	2.0
289.07544	1.1
291.09100	96.4
292.09216	12.8
309.10107	1.9
310.10266	1.0
357.13794	1.8
359.15347	100.0
360.15521	14.7
375.18481	6.1
376.18369	1.0
377.16510	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98674	1.3
59.01252	100.0
70.95982	3.1
75.76387	1.2
77.28535	1.2
138.32986	1.7
174.99168	9.2
190.26295	1.6
217.00237	33.5
262.23892	1.4
266.93088	1.3
297.73599	1.3
314.26950	1.5
374.24500	2.6
374.99100	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	375.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56939	0.5
59.01252	10.9
60.36653	0.5
60.48909	0.4
63.61009	0.4
70.34123	1.1
70.34518	0.9
71.01254	6.6
85.02841	1.6
85.59444	0.5
89.02325	5.6
95.01231	0.7
99.49032	0.5
100.72130	0.6
101.02341	2.8
109.03977	1.4
113.02273	2.2
119.03389	2.4
123.05533	100.0
124.05891	3.9
134.71291	0.5
135.05547	9.7
136.82301	0.5
137.07121	1.3
147.05544	3.0
149.07135	0.9
161.04474	1.3
162.04201	2.2
165.06595	3.8
177.06618	16.5
178.06946	0.7
179.05379	0.7
195.07666	1.9
357.13123	1.6
375.14008	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92076	1.9
56.43215	2.1
59.01232	7.7
67.21827	1.9
69.25388	22.1
69.25797	2.8
71.01250	2.8
79.47305	2.0
93.03360	5.0
98.72765	2.0
121.02848	4.7
122.03632	10.9
136.01563	2.6
146.03642	6.2
147.04315	2.1
149.02362	22.4
150.03133	69.7
151.03552	2.9
164.04700	10.6
165.05481	100.0
166.05856	5.2
179.07053	13.3
180.04184	6.4
195.06561	47.3
196.06906	2.5
226.00693	2.3
238.62018	2.3
327.12393	12.2
375.14981	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	374.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14038	6.2
55.45806	6.3
65.00195	11.1
65.99714	22.7
68.74216	6.2
69.63272	52.2
81.35357	6.3
83.01235	14.6
95.01247	15.6
98.19797	14.2
99.00748	30.9
107.01277	8.1
109.02842	22.6
109.28088	5.7
109.99918	8.5
111.00758	42.9
121.02866	12.3
121.95117	6.0
123.00747	28.5
123.04395	10.1
124.01569	8.4
125.02353	34.3
127.75018	6.5
128.98091	6.3
134.02449	8.1
137.02348	44.4
138.01736	9.4
139.00269	59.4
140.01041	12.0
141.01846	16.2
149.02351	11.7
151.00246	41.0
152.01042	13.7
153.01854	35.0
162.01901	12.3
163.00232	9.6
164.03394	10.3
165.01828	24.9
165.98985	15.0
166.99770	53.5
167.03404	11.3
168.00546	100.0
169.01202	14.5
175.03940	8.0
176.03395	11.7
177.01826	20.5
178.01323	8.6
178.99770	51.3
181.01262	9.4
182.01903	6.9
189.01898	8.8
190.01239	8.6
190.99741	7.8
191.03365	8.8
192.02948	9.6
193.01360	35.3
194.99274	66.4
209.00850	39.3
216.02893	7.8
217.01355	11.7
222.04132	9.5
243.02939	9.0
248.01944	20.3
257.60391	6.6
356.03928	11.3
374.05215	31.2
382.42691	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65923	0.2
59.01254	1.0
70.05106	1.1
74.55215	0.2
93.67474	0.2
101.05969	1.0
102.98331	0.2
124.07552	0.7
165.10350	0.3
174.99133	0.3
189.10289	0.5
205.12265	0.2
217.00262	1.6
232.10878	9.7
233.11247	0.6
260.10263	0.3
272.17651	0.5
273.15900	0.2
274.15695	0.2
276.10071	0.2
289.17902	1.8
290.18790	3.0
298.21295	0.2
316.16641	1.5
317.16742	0.4
318.18301	0.4
358.21494	1.1
374.24472	100.0
375.24786	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	373.2235
Annotation	Myrsinionoside A
Peak:m/z	Relative Intensity
55.01757	2.3
57.03336	3.9
58.00484	3.9
59.01255	100.0
60.01575	1.2
61.69224	0.4
69.03339	0.6
69.52630	3.1
69.53036	0.7
71.01257	85.7
71.04887	0.8
72.01600	0.7
72.99181	6.0
73.02824	9.8
75.00742	1.5
81.03410	0.5
81.21258	0.5
83.01265	6.2
85.02829	23.4
87.00771	3.7
89.02321	71.1
90.02666	1.0
95.01274	6.7
97.02865	1.1
99.00761	5.0
101.02328	58.6
102.02644	1.2
105.14895	0.5
109.02836	0.5
111.00764	0.6
113.02340	35.5
114.02704	0.9
119.03394	34.6
120.03782	0.7
125.02337	2.7
129.01843	0.8
131.03404	2.4
137.02373	2.5
137.09645	0.9
143.03413	5.3
143.10701	3.2
149.04437	2.6
153.09164	0.5
159.02875	3.5
161.04480	26.0
162.04826	0.9
179.05537	4.7
203.07121	0.7
205.03474	1.3
207.88271	0.5
211.17035	1.2
229.18047	0.8
275.66888	0.6
285.94086	0.5
355.19482	0.5
373.22324	45.1
374.22653	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	373.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78725	0.5
55.71821	0.7
59.01252	11.9
59.44377	0.6
74.13648	0.7
93.03342	2.7
95.04909	0.5
125.22350	0.6
143.60208	0.6
148.08856	1.5
150.10406	1.2
165.12775	21.2
166.13147	1.5
176.11902	1.1
179.14345	0.9
191.14276	0.9
229.96407	0.9
237.22247	0.7
244.10782	3.9
247.20682	10.9
248.20937	0.7
273.18600	5.6
291.19675	100.0
292.20047	10.0
313.17850	11.4
314.18387	1.1
322.90845	0.7
373.19830	8.0
374.20276	1.0
384.25671	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2232
Annotation	Manglieside C
Peak:m/z	Relative Intensity
55.01760	8.0
57.03327	8.5
58.00463	2.4
59.01250	51.6
60.01576	0.7
68.99696	0.8
69.03327	1.4
70.35809	1.4
71.01253	100.0
71.04893	0.5
72.01572	1.8
72.99168	4.4
73.02818	32.7
74.03162	0.6
75.00746	2.2
81.03327	0.8
83.01256	15.5
83.04902	0.4
84.02048	0.8
85.02822	51.5
85.06450	0.5
85.99973	1.8
86.03165	1.2
87.00755	4.3
87.04385	1.0
89.02315	17.1
90.02644	0.5
95.01260	8.0
97.02303	0.3
97.02810	2.1
97.06461	0.6
97.96277	0.4
99.00756	15.1
101.02321	83.2
102.02666	1.6
104.56319	0.4
111.00780	2.3
113.02328	41.7
114.02650	1.0
119.03384	5.7
123.08042	0.5
125.02365	3.1
129.01808	2.4
131.03369	1.1
135.04396	0.5
137.02284	0.5
137.09625	1.1
139.00322	0.4
141.01784	0.5
143.03392	4.3
143.10670	0.6
149.04428	0.5
151.11172	0.7
155.10695	2.6
159.01640	0.5
159.02890	9.5
161.04463	40.8
162.04761	0.9
169.03270	0.5
179.05551	0.4
188.04552	0.4
193.04968	0.4
193.12314	0.5
199.09636	1.3
205.03445	2.8
209.15399	0.8
211.16963	2.2
223.16956	0.5
253.18001	0.7
267.07068	1.0
281.17673	0.5
313.10657	0.5
313.16309	0.5
329.11075	0.5
339.41342	0.4
340.57056	0.4
373.12723	0.6
373.22150	13.8
373.26056	2.7
374.22421	1.5
374.26575	0.5
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
55.01760	0.5
57.03320	0.4
59.01251	100.0
60.01584	0.8
70.71152	0.5
70.71502	0.5
71.01253	5.9
72.99227	0.3
73.02817	1.4
75.73005	0.2
83.01292	0.3
85.02818	2.4
89.02316	1.9
95.01268	0.5
97.02833	0.3
99.00764	0.8
101.02327	2.8
101.02934	0.4
106.88029	0.2
113.02325	2.6
119.03381	0.7
134.88956	0.2
143.03380	0.3
148.71777	0.2
159.02951	0.4
161.04465	1.7
162.04808	0.3
178.47021	0.3
179.05687	0.3
183.02910	1.2
191.03920	0.2
193.05151	0.3
208.53967	0.3
223.05945	0.2
227.61423	0.2
231.22546	0.2
253.07504	0.2
331.17679	1.3
373.12112	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33087	0.9
57.03316	1.3
59.01253	100.0
67.24206	1.1
69.46208	1.0
71.01253	15.2
71.57748	2.1
72.99211	1.2
73.02822	2.8
81.03349	1.2
83.01274	2.6
85.02839	3.7
89.02325	10.5
95.01260	1.6
99.00732	1.7
101.02325	10.4
108.02127	1.4
109.02805	2.4
113.02338	4.7
118.15706	1.0
119.03374	5.2
123.00809	3.4
124.01588	1.9
125.02323	2.8
125.05973	1.8
137.02348	2.5
146.52968	1.1
147.04405	1.4
151.00258	2.1
151.03918	1.7
153.01863	1.0
161.04446	3.1
161.45499	1.0
163.03964	2.9
165.09103	2.7
166.09431	1.8
167.09654	1.5
169.01314	2.3
174.03105	1.5
175.03821	1.1
188.04701	1.6
209.08154	8.0
210.08414	6.0
211.08626	8.8
274.02402	1.2
285.04047	5.3
298.08365	2.1
313.10785	7.8
314.11487	1.5
331.17502	2.1
343.11868	1.7
358.10507	1.5
373.12933	8.7
373.18558	5.6
374.13431	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.169
Annotation	Hydroxyzine
Peak:m/z	Relative Intensity
56.61487	0.4
59.01237	1.5
60.39069	0.5
60.71328	0.4
62.73853	0.5
63.96109	59.9
64.96886	1.6
69.03302	0.5
71.01236	1.1
71.58931	0.8
71.59310	0.6
79.95604	100.0
80.96391	35.8
81.16348	0.5
85.02827	0.6
89.02315	0.6
96.95897	4.0
119.08501	0.7
119.98759	6.1
121.02840	0.8
121.10143	1.0
125.02346	0.6
132.99440	0.6
137.09644	2.3
138.68777	0.5
165.99222	0.5
171.10172	7.1
173.06339	9.1
174.06564	0.7
183.13824	1.9
189.05827	45.5
190.06168	1.5
201.11270	9.8
202.11586	0.7
211.13490	0.7
220.95367	0.5
264.23889	0.5
273.18640	1.0
275.20081	3.4
291.19656	2.1
293.21204	7.4
309.20697	0.8
353.15848	0.5
355.15820	7.5
373.16861	37.1
374.17142	3.3
387.79370	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1143
Annotation	5-Deoxyeustomoside
Peak:m/z	Relative Intensity
59.01248	1.3
65.60805	0.3
68.99679	0.3
69.03328	0.3
69.37061	0.2
69.71348	1.3
69.71751	0.7
71.01253	1.0
73.02849	0.3
85.02826	0.4
85.06479	0.4
87.04363	0.4
89.02318	0.3
95.01270	0.8
95.04910	0.4
97.02845	0.5
97.06504	0.5
98.19791	0.5
99.00767	3.0
104.52021	0.3
105.06990	1.2
107.25003	0.3
109.02843	0.5
111.00816	0.7
111.04408	1.8
111.08047	0.4
112.01097	0.3
121.06509	0.4
123.00761	1.0
125.05990	0.5
133.44720	0.3
137.05992	0.4
139.00266	1.3
139.07571	0.5
140.01073	1.5
141.01854	3.3
149.06015	2.5
165.01840	0.8
165.05492	12.4
165.98993	0.8
166.05696	0.5
166.99782	1.0
167.03430	0.8
167.07022	0.5
168.00575	3.4
169.05002	1.0
181.04993	2.6
182.05295	1.4
183.83969	0.3
193.05008	10.6
194.05321	0.4
195.02936	0.3
207.97774	0.3
209.04507	3.9
210.05251	15.4
211.06073	100.0
212.06429	5.0
214.04732	0.3
235.06064	1.1
253.07176	1.0
265.00391	0.4
324.89185	0.3
342.46942	0.3
346.57739	0.3
373.11401	38.3
374.11707	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	373.114
Annotation	5-Deoxyeustomoside
Peak:m/z	Relative Intensity
55.01750	1.4
57.03328	1.4
58.00480	0.7
59.01249	10.0
68.99689	0.8
69.03311	2.7
69.54827	4.0
71.01251	7.2
72.03607	0.4
72.99180	0.9
73.02819	1.4
74.02309	0.5
75.00735	0.7
81.03345	1.0
83.01259	2.6
85.02851	3.1
85.06478	1.2
87.00788	0.5
87.04377	5.0
89.02301	2.9
93.03346	1.7
95.01257	2.2
95.04905	2.2
97.02824	4.5
97.06469	1.5
99.00758	18.8
99.01418	0.9
101.02321	3.8
105.07000	1.5
107.04913	0.9
108.02065	1.1
109.02835	3.6
109.06489	0.7
111.00764	7.7
111.04395	11.1
111.05133	0.8
111.08057	0.7
113.02326	2.9
113.05985	1.0
119.03381	1.0
121.02828	1.7
121.06470	1.9
123.00761	5.5
123.04437	1.3
123.08044	0.7
124.01561	1.5
125.02354	3.1
125.05982	2.1
129.01776	0.6
129.47784	0.4
133.02850	0.5
135.04424	1.4
135.08089	0.8
136.01566	0.7
136.05219	0.7
137.02332	3.4
137.05948	1.1
139.00266	12.4
139.03899	1.5
139.07538	0.8
140.01053	8.4
141.01833	37.5
141.05475	1.5
142.02158	0.7
148.01608	0.7
149.02330	0.7
149.05984	2.9
150.03133	0.5
151.00197	0.7
151.03929	1.3
151.07600	0.8
152.04776	0.6
153.01767	2.2
153.05423	0.7
161.02341	0.7
161.04491	1.1
161.05934	0.5
163.03889	1.2
163.07524	1.2
164.01039	1.0
165.01823	4.4
165.05487	16.7
165.99005	1.9
166.99745	1.6
167.03416	1.4
167.07050	3.3
168.00571	10.9
169.04965	10.2
175.03822	0.7
177.01836	1.1
177.05438	1.0
179.03557	1.1
179.07079	5.1
181.04985	5.5
182.05350	1.1
183.02901	11.2
183.06529	1.8
184.03252	0.7
189.05429	0.7
191.03368	0.5
191.06999	1.3
192.04202	1.0
192.97395	0.5
193.05000	15.3
194.05449	0.9
195.02882	1.5
195.06592	4.1
205.05003	1.4
207.02916	1.4
207.06610	9.6
209.04457	4.0
209.08130	2.6
210.03130	0.9
210.05261	50.4
211.06052	100.0
212.06416	3.9
213.04039	1.1
219.06534	4.3
221.08159	1.4
222.05313	0.8
223.06049	6.3
223.68881	0.5
224.06671	0.5
225.07498	0.7
235.06068	14.0
236.06413	0.8
237.07710	2.2
247.05963	0.8
249.07683	7.0
253.07152	17.0
254.07538	1.0
265.07129	2.5
283.08206	1.3
285.06171	3.7
303.07141	3.2
327.10638	2.4
331.17453	0.5
345.11917	0.8
348.12112	0.5
355.10410	1.2
373.11334	56.3
374.11606	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	373.114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	2.9
62.28930	0.6
71.01250	1.3
71.57037	0.7
71.57515	1.1
72.99169	0.6
73.95398	0.7
75.22465	0.7
75.90164	0.7
82.00465	0.9
84.71603	0.8
85.02827	2.9
109.17002	0.7
109.99978	8.6
111.00746	1.5
113.02324	1.3
124.01559	0.8
125.02343	11.9
128.03395	0.8
128.32954	0.8
132.00592	0.7
134.12779	0.7
137.99481	8.8
139.00279	5.6
151.03937	0.9
152.01076	2.3
153.01842	100.0
154.02586	7.1
155.03291	0.9
166.02669	0.9
167.03421	4.1
168.04199	41.6
169.01329	7.0
169.04988	14.6
179.03418	0.9
193.04985	1.0
209.04347	0.7
246.81198	0.7
300.35916	0.7
373.07288	0.9
373.11496	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.4
58.88841	0.4
59.01248	3.4
61.18338	0.4
70.76003	0.6
70.76362	1.0
72.99193	0.4
73.97071	0.3
78.86185	0.4
85.02819	1.1
85.93303	0.4
109.99974	8.6
111.00767	1.0
113.02340	1.5
123.00774	0.6
124.01601	0.7
125.02341	8.2
137.99487	11.3
139.00278	6.6
140.01067	0.5
141.01831	0.4
143.10732	0.5
151.00267	0.8
151.03914	0.4
152.01056	2.3
153.01845	100.0
153.99016	0.7
154.02635	7.6
155.03358	1.4
166.02661	0.7
167.03412	6.1
168.04201	42.9
169.01315	1.0
169.04974	17.5
170.05342	0.8
179.03465	0.6
180.87848	0.4
209.04556	0.6
281.06577	0.6
334.56177	0.4
373.11584	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88798	0.5
55.01512	0.9
55.01760	11.4
56.99693	0.6
57.03325	11.8
58.00459	3.0
59.01250	66.1
60.01603	0.6
68.99634	0.7
69.03332	1.3
69.53683	1.3
69.54091	3.2
71.01254	100.0
72.01563	1.4
72.99188	3.5
73.02819	33.4
75.00753	1.9
81.03329	1.3
83.01258	19.0
84.02020	0.8
85.02821	47.4
85.99959	1.1
86.03156	1.0
87.00733	4.5
89.02316	22.4
95.01260	8.6
97.02818	3.2
98.19794	1.2
99.00757	12.2
99.04387	0.9
101.02322	87.3
102.02675	1.6
106.61638	0.6
107.98134	0.6
111.00758	1.3
113.02330	43.2
119.03391	7.6
123.08090	1.2
125.02351	4.0
129.01817	1.1
131.03372	1.4
137.09598	2.0
143.03400	5.9
159.02899	10.0
161.04460	46.3
162.04744	1.9
165.09201	0.8
167.03397	0.8
179.05539	1.1
179.10681	0.7
205.03448	1.2
206.89143	0.7
209.02905	0.8
209.08078	4.1
209.15399	11.3
240.98961	0.6
251.09256	7.0
279.16095	1.2
281.10315	0.8
323.07547	0.7
371.13522	1.2
371.20712	28.0
372.21136	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	371.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	5.8
58.00461	3.2
59.01249	65.2
63.52472	2.1
69.78899	1.9
71.01250	38.8
71.44316	3.2
71.62379	1.8
72.99168	3.8
73.02827	2.0
81.03347	2.0
83.01245	8.2
85.02826	31.3
87.00777	2.1
89.01761	2.8
89.02316	55.3
95.01234	3.8
101.02313	24.4
105.37698	1.8
113.02329	19.8
119.03391	22.6
123.04392	3.9
125.02334	100.0
126.02702	3.0
131.03383	2.7
131.04953	3.2
139.03873	3.3
142.21085	1.8
146.96448	2.0
149.02342	11.9
149.05988	3.8
151.00229	2.1
166.02582	4.2
167.03410	14.3
179.05542	4.5
181.05020	4.1
185.36232	1.8
191.03430	3.7
191.07031	15.5
193.05009	4.1
208.07329	2.7
209.04489	18.4
223.09755	4.2
233.04405	5.2
251.05487	2.1
301.93930	1.9
371.09698	5.6
371.13736	16.5
372.13690	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	371.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48594	1.1
57.03311	3.9
59.01250	100.0
60.62103	1.2
68.99641	1.4
71.01250	15.3
72.99173	3.1
73.02818	5.0
75.00707	2.8
82.82167	1.2
83.01267	3.2
85.02818	23.5
87.00755	2.4
89.02303	5.3
90.50916	1.4
95.01270	2.5
96.01525	1.4
97.02848	1.3
97.13501	1.5
99.00762	3.1
101.02330	7.5
107.04910	9.9
108.39578	1.2
109.02788	3.2
109.79513	1.3
113.02316	5.5
121.02839	2.6
123.00771	17.1
124.01622	1.6
125.02327	5.4
134.03625	30.7
135.04384	1.5
138.03091	7.9
139.03874	1.4
149.05980	36.5
151.00275	1.4
152.01086	1.4
165.09084	5.1
169.01300	1.8
177.01860	12.3
181.05008	2.0
191.01857	3.4
194.09406	7.1
196.82425	1.4
209.02957	18.0
209.08173	10.1
209.11765	9.3
220.01331	1.3
220.59450	1.6
225.13898	2.2
247.41476	1.6
294.05469	1.7
371.06744	2.3
371.13058	1.9
371.17349	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	371.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48594	1.1
57.03311	3.9
59.01250	100.0
60.62103	1.2
68.99641	1.4
71.01250	15.3
72.99173	3.1
73.02818	5.0
75.00707	2.8
82.82167	1.2
83.01267	3.2
85.02818	23.5
87.00755	2.4
89.02303	5.3
90.50916	1.4
95.01270	2.5
96.01525	1.4
97.02848	1.3
97.13501	1.5
99.00762	3.1
101.02330	7.5
107.04910	9.9
108.39578	1.2
109.02788	3.2
109.79513	1.3
113.02316	5.5
121.02839	2.6
123.00771	17.1
124.01622	1.6
125.02327	5.4
134.03625	30.7
135.04384	1.5
138.03091	7.9
139.03874	1.4
149.05980	36.5
151.00275	1.4
152.01086	1.4
165.09084	5.1
169.01300	1.8
177.01860	12.3
181.05008	2.0
191.01857	3.4
194.09406	7.1
196.82425	1.4
209.02957	18.0
209.08173	10.1
209.11765	9.3
220.01331	1.3
220.59450	1.6
225.13898	2.2
247.41476	1.6
294.05469	1.7
371.06744	2.3
371.13058	1.9
371.17349	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	371.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45115	1.2
59.01252	100.0
71.01255	1.5
71.57685	1.0
75.49625	1.1
78.90582	1.4
83.01241	1.6
107.01244	1.3
123.04406	1.9
125.02354	2.6
130.08633	1.7
139.00224	1.4
141.01839	1.1
147.90350	1.2
149.05968	2.9
167.03380	5.5
167.07071	1.4
169.01419	1.2
210.13762	1.2
237.38399	1.4
371.18317	1.2
371.22867	1.8
387.90979	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.1
59.01248	1.3
61.11864	0.1
65.00182	0.8
68.27104	0.1
70.71411	0.4
71.01254	1.6
73.02834	0.4
81.03332	4.9
83.01247	1.7
84.18186	0.2
85.02821	0.8
89.02342	0.5
97.02834	0.2
99.00759	0.3
99.08055	0.6
101.02320	1.1
101.05958	0.5
107.01256	0.8
113.02360	0.9
122.03625	1.8
123.04365	0.3
123.08064	1.8
124.08432	0.2
125.02334	8.1
125.05973	4.1
137.09633	0.2
139.11938	0.1
142.45247	0.2
147.08044	0.2
149.02304	0.9
151.00273	1.4
159.02859	0.2
161.04497	0.7
165.09126	25.8
166.09430	1.2
167.03429	0.4
191.06998	0.9
205.08598	0.2
209.08141	100.0
210.08479	5.5
210.10504	0.3
233.08218	0.6
245.28784	0.2
251.09227	0.6
371.13556	0.4
371.20782	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1347
Annotation	multifidol glucoside
Peak:m/z	Relative Intensity
57.03324	0.5
59.01248	1.0
65.00198	0.8
68.99691	0.2
70.34398	0.9
71.01257	0.5
73.64238	0.2
74.55609	0.2
75.81565	0.2
81.03332	6.9
81.43356	0.2
83.01242	1.1
93.03328	0.4
95.01245	0.3
95.04922	0.4
97.02843	0.4
98.19812	0.2
99.08019	1.5
101.05962	1.1
107.01260	0.3
107.04921	0.3
109.02834	0.5
121.02835	0.5
123.08047	3.1
124.01585	0.4
125.02341	4.7
125.05976	6.3
125.06830	0.5
127.07511	0.7
136.05220	1.0
137.05930	0.4
137.09579	0.3
139.03929	0.3
141.09096	1.0
147.08044	0.6
149.02379	1.2
151.00279	0.9
152.01028	1.1
163.07556	0.2
165.09123	39.4
166.09445	1.9
167.03387	0.2
167.07039	0.5
167.80096	0.2
175.00327	0.5
175.07544	0.2
177.09158	0.5
179.07068	0.7
179.10664	0.3
190.62946	0.2
191.07036	1.4
193.08691	1.1
205.08649	1.4
208.07414	0.6
209.08134	100.0
210.08467	5.2
215.07086	1.0
221.08138	1.0
223.09711	2.9
233.08148	25.5
234.08463	1.5
246.01094	0.3
251.09213	10.7
252.09564	0.7
263.09225	3.4
264.09677	0.3
275.09293	0.5
293.10147	0.3
311.11435	0.7
353.12335	0.4
356.08865	1.0
356.12704	0.3
371.13599	6.2
371.24063	0.4
372.13831	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68432	0.6
59.01233	0.7
67.01752	0.7
67.33216	0.7
69.03329	1.3
70.77628	1.9
71.04906	0.9
81.03329	6.8
81.32453	0.8
83.01260	3.4
93.03364	1.0
95.01242	0.9
95.04905	10.7
97.02838	6.0
99.04401	1.6
99.08037	3.5
99.81931	0.6
101.05954	2.7
107.01256	0.8
109.02821	1.5
111.04454	0.7
118.35136	0.6
122.03601	1.2
123.00768	0.9
123.04382	3.4
123.08075	4.5
125.02345	20.4
125.05971	10.0
137.02324	3.1
137.09613	1.5
139.03857	1.0
141.09065	1.3
151.03995	0.7
155.03426	1.3
158.88701	0.7
163.83070	0.7
164.08321	3.0
165.09132	12.6
167.03423	11.6
167.07013	2.4
173.46254	0.6
179.10721	10.3
180.11072	0.7
183.10214	1.9
189.09154	0.7
197.04486	1.9
199.04515	0.6
203.07013	0.6
205.08585	1.1
207.10274	3.6
209.08147	27.2
210.08449	1.4
219.10278	0.7
221.08162	7.5
223.09714	1.7
235.09772	1.9
235.36485	0.7
237.64444	0.6
251.09230	100.0
252.09575	4.9
263.09186	1.5
281.10339	25.0
282.10648	1.8
313.79523	0.7
353.12360	0.9
371.13394	6.6
372.13870	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66759	0.9
59.01249	100.0
64.45698	0.8
69.75063	4.0
69.75468	2.1
71.01237	2.1
85.02817	1.6
89.02320	2.2
109.02798	2.0
113.02337	1.2
125.02310	2.0
165.09079	1.9
167.03378	1.1
209.02911	1.9
238.86192	0.9
292.68811	1.0
371.12991	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.6
59.01245	0.8
65.00195	0.7
71.01241	0.2
71.04879	0.2
77.99847	0.2
81.03330	5.0
83.01262	1.0
99.08031	1.1
101.02341	0.2
101.05941	0.8
105.06968	0.1
107.01284	0.8
107.37573	0.1
108.02053	0.2
111.00709	0.2
121.06483	0.2
123.00813	0.2
123.08057	2.5
124.36429	0.2
125.02340	5.3
125.05980	4.8
125.06936	0.2
136.05232	0.8
137.02373	0.2
137.05948	0.3
141.09134	0.5
141.94423	0.1
147.08070	1.3
149.02359	0.4
151.00272	1.2
152.01003	0.2
165.09123	24.0
166.09453	1.1
167.03418	0.2
167.07065	0.3
179.10698	0.3
191.07021	1.8
205.08701	0.4
209.08133	100.0
210.08461	5.9
211.70816	0.2
229.20360	0.2
233.08128	0.4
251.09131	1.0
371.13525	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13546	0.7
55.01749	1.0
57.03320	6.4
58.00467	1.4
59.01252	24.1
67.01750	0.9
68.99667	4.1
69.03338	1.8
71.01254	24.3
71.58682	0.8
71.59067	1.0
72.99181	7.1
73.02805	2.3
75.00746	32.2
77.75315	0.8
81.03323	1.6
83.01250	3.2
83.04892	1.0
84.02028	1.5
85.02822	32.1
87.00752	10.9
89.02318	7.2
93.03333	2.4
93.42755	0.7
95.01250	5.2
95.01798	0.9
99.00760	11.7
101.02343	1.7
103.00265	1.8
109.02820	1.5
111.00761	2.3
113.02334	26.5
115.00255	2.8
117.01831	2.9
117.03346	1.1
121.02843	100.0
122.03211	3.3
123.04447	0.8
124.01550	1.0
125.02322	1.4
129.01845	8.1
134.03633	15.5
135.04356	1.6
139.00247	1.0
147.02861	1.1
149.02406	2.1
149.06000	1.2
157.01324	0.9
158.92867	0.9
159.02898	1.8
165.03943	0.9
167.02077	0.7
167.03381	2.4
175.02316	2.7
175.03888	2.7
177.03981	22.9
178.04254	1.2
179.03424	0.8
189.03973	0.8
191.01906	2.1
191.07220	1.2
193.05000	14.4
194.05122	0.7
195.05031	23.4
196.05476	0.9
209.02950	10.0
209.08005	1.1
223.06157	1.2
225.05049	0.8
231.05052	8.6
249.06139	78.0
250.06363	3.8
311.07651	1.0
337.40030	0.9
350.28116	0.9
353.08774	3.0
371.09772	54.8
372.10300	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12474	0.6
55.01764	1.5
57.03321	9.4
58.00468	0.9
59.01251	21.5
59.01534	1.4
61.89827	0.7
68.99690	1.5
69.51307	6.0
71.01258	21.2
72.99175	4.9
73.02816	1.5
74.63223	0.6
74.64301	0.6
75.00749	45.1
83.01264	2.2
84.02055	1.6
85.02824	23.8
87.00758	16.0
89.02319	8.0
89.03868	2.1
95.01278	1.1
97.02825	1.6
99.00760	8.1
101.02306	4.2
103.00232	0.8
109.02869	1.2
111.00777	3.1
113.02319	3.3
117.03353	5.8
119.03381	1.9
120.88981	0.8
121.02822	1.7
125.02351	1.4
129.01831	23.4
130.02171	1.2
131.03389	0.8
132.49548	0.7
134.03636	71.4
135.04253	2.3
137.02354	2.3
141.01836	2.0
147.04422	1.6
148.05219	0.8
149.02342	3.3
149.04500	0.9
149.04726	1.0
149.05995	7.3
151.03917	1.0
153.36243	0.7
159.02913	7.6
160.01561	2.5
161.02353	1.1
164.04666	2.1
165.01837	0.7
165.05457	0.7
167.03415	1.3
173.06021	1.3
175.03938	5.8
176.04797	3.3
177.03969	100.0
178.02730	1.8
178.04337	2.8
179.03351	0.7
191.07072	3.6
192.07631	1.0
193.05000	66.7
194.05321	4.5
195.05040	78.1
195.78383	0.8
196.05397	3.0
205.03534	0.7
207.06526	1.3
209.02930	4.2
209.08119	3.7
216.26729	0.7
223.06201	4.3
224.04773	0.8
225.05028	1.9
235.06026	4.0
246.09021	0.9
264.91949	0.8
265.07059	0.8
295.08319	3.1
334.15527	0.7
353.08838	3.8
371.09790	56.3
372.10214	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	371.062
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	8.0
58.68627	1.7
59.01263	10.2
63.67329	1.8
63.98811	1.7
64.84099	1.7
69.77637	2.1
70.00804	5.8
70.01215	5.0
71.01264	10.9
72.99198	2.1
75.00762	2.4
85.02823	65.8
87.00775	2.0
89.02340	5.0
99.17719	1.9
120.94979	1.8
127.75211	1.9
129.01859	2.8
133.01320	5.1
135.04453	3.0
147.02855	4.9
191.01884	20.0
202.98674	2.4
209.02979	100.0
210.03351	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	371.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01070	0.8
57.03324	7.7
58.17235	0.7
59.01246	7.1
65.40238	0.8
70.36625	0.7
70.91508	1.4
70.91863	1.0
71.01260	8.6
72.99189	1.3
73.02827	1.0
73.70603	0.7
75.00762	1.7
81.41862	0.8
83.27020	0.8
84.02052	2.1
85.02826	64.5
86.03173	1.2
87.00755	5.9
89.02334	4.8
99.00797	0.8
101.02331	0.9
119.37607	0.8
129.01836	4.7
133.01340	6.2
135.04375	1.9
147.02928	4.3
164.67766	0.9
177.05447	1.0
181.10074	0.8
191.01917	16.9
209.02986	100.0
210.03355	2.3
235.06161	1.5
261.77487	0.9
371.09830	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0772
Annotation	7-Hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
51.56374	0.2
52.56791	0.2
56.84087	0.2
59.01246	0.9
62.37116	0.2
68.03422	0.2
70.71468	0.4
70.71831	0.4
77.03841	0.3
93.03270	0.2
100.35941	0.2
102.75659	0.2
121.02850	100.0
122.03194	3.3
149.02386	0.5
151.62155	0.2
179.03429	10.2
180.03780	0.6
181.06519	0.5
225.05472	0.6
239.07069	0.7
241.90012	0.2
283.06033	0.3
371.07690	9.0
372.08295	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0981
Annotation	Randioside
Peak:m/z	Relative Intensity
57.03318	0.7
59.01244	0.9
65.00205	0.5
69.03301	0.3
69.61137	1.4
69.61559	0.4
71.01254	0.5
81.03328	4.3
83.01247	2.9
83.04897	0.3
85.02789	0.3
90.84910	0.2
93.03329	0.8
95.04892	1.3
97.02841	0.5
99.04427	0.2
107.01301	0.3
109.02854	0.3
111.04388	0.3
121.02879	0.3
123.04407	35.8
124.04760	1.2
125.02332	4.6
131.01286	0.3
135.04411	0.6
137.02354	1.5
137.05876	0.3
139.03934	0.7
147.21536	0.2
149.02335	1.3
151.00281	1.5
151.03906	1.4
158.49426	0.3
163.03900	1.4
165.01802	0.3
165.05405	0.3
166.02655	0.3
167.03407	100.0
168.03764	4.0
175.00296	1.3
179.03429	1.2
180.04172	0.4
181.04973	3.0
191.03424	19.6
192.03781	1.1
193.04965	0.3
209.04482	9.3
210.04842	0.5
221.04495	2.5
225.26450	0.2
353.07755	0.3
371.09671	1.8
371.21829	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	5.0
70.17026	0.8
71.01244	1.1
71.14326	1.3
71.14652	0.8
72.99200	0.8
79.17069	0.8
81.23761	0.9
83.04879	0.7
83.22079	0.7
84.66006	0.7
89.02342	3.1
91.03891	10.3
99.00862	0.8
110.53596	0.7
113.09605	2.2
149.52731	0.7
163.58475	0.8
195.13846	15.4
196.14194	0.8
277.21738	13.7
277.62033	0.9
278.21967	0.9
295.22797	100.0
296.23141	8.9
316.66574	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59488	1.0
59.01257	5.2
69.79815	4.9
69.80223	2.3
86.82010	1.0
89.02309	2.8
91.03873	7.5
97.71504	1.1
103.78254	1.0
113.09602	1.1
119.45322	1.2
171.10181	10.9
187.35017	1.0
195.13832	11.8
199.00594	1.6
277.18109	6.9
277.21692	26.0
278.22113	2.0
295.22769	100.0
296.23083	10.4
369.17560	1.6
369.22729	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	369.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53550	1.0
55.01750	4.3
57.03328	5.8
58.00460	1.7
59.01254	96.7
65.36886	1.2
69.03334	2.2
70.43379	2.3
70.43765	1.6
71.01257	36.3
71.16396	1.0
71.84756	1.1
72.99184	3.3
73.02818	10.8
74.04351	1.4
75.00760	1.3
81.03358	1.5
83.01263	11.8
85.02826	26.0
87.00748	3.4
89.02319	4.4
93.03361	1.5
95.01283	5.7
96.36971	1.0
97.02817	2.4
99.00764	4.1
101.02332	20.8
106.04144	5.1
108.02059	1.1
111.00761	1.8
112.01537	4.5
113.02335	17.6
119.03438	1.9
119.04968	1.6
121.06470	2.6
125.02351	3.9
129.01927	1.2
137.02322	1.4
142.02652	1.1
161.04504	2.6
163.03807	1.3
163.07541	1.2
165.09131	96.1
166.09491	5.4
177.09032	1.7
186.06374	1.2
209.31648	1.1
265.26767	1.2
279.12222	2.3
309.13440	100.0
310.13742	9.7
327.14487	74.1
328.14801	8.0
369.15561	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	369.2279
Annotation	19-hydroxyprostaglandin H1
Peak:m/z	Relative Intensity
59.01252	7.2
61.64485	1.4
64.00253	1.4
71.01279	1.3
71.57925	2.0
71.58313	1.5
72.69336	1.5
96.95917	1.6
97.02791	1.3
107.01247	1.4
109.02823	3.8
123.04369	1.6
123.08038	1.8
137.09642	1.7
139.11177	7.3
149.02371	1.7
157.12283	3.0
158.06783	1.4
178.99681	1.7
184.10016	1.2
185.11769	31.7
202.18271	1.6
213.11255	1.8
214.12126	3.3
215.12675	1.6
289.21573	1.6
297.96219	1.4
307.22757	4.8
309.10193	3.4
323.22095	2.6
325.23834	100.0
326.24066	9.4
333.20599	3.3
351.21872	2.6
369.13586	7.7
369.22797	59.4
370.23096	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	369.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.8
58.00462	0.4
59.01250	19.8
61.27208	0.4
69.03338	0.5
70.18100	0.9
70.18514	1.5
71.01250	13.8
72.99161	0.9
73.02818	15.4
75.97094	0.4
83.01257	5.2
85.02818	1.4
89.02310	1.2
93.03317	1.2
95.01250	1.0
99.00749	1.8
101.02323	12.0
109.02821	0.9
111.00780	1.3
113.02331	1.8
119.04908	2.0
120.05141	0.4
121.02924	0.4
123.00791	1.1
123.04464	0.6
125.02344	2.8
131.03378	0.7
137.02338	1.0
139.00272	1.7
139.51064	0.4
141.01843	1.1
143.03423	0.6
147.04417	100.0
148.04762	4.4
151.00259	0.5
153.01813	0.5
161.04485	0.9
163.03944	1.8
165.01833	0.8
165.05493	1.6
166.99785	2.4
168.00606	0.5
169.01294	0.6
178.99673	0.6
190.99805	1.3
191.03606	0.4
191.05452	0.4
192.00533	3.0
193.01370	0.6
194.99249	2.4
197.00885	1.0
199.03969	0.7
205.01445	0.5
206.02219	0.7
207.02975	3.0
215.03468	0.5
221.71609	0.4
287.16629	0.5
333.02457	0.8
348.25180	0.5
351.03647	1.0
369.04572	1.9
369.08420	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67379	0.7
53.52892	0.7
57.03313	1.4
58.33553	0.7
59.01257	10.5
61.98700	2.0
65.64258	0.7
71.01251	4.9
71.51775	1.5
72.99169	1.8
75.19472	0.9
78.91249	0.7
81.03316	0.9
83.01302	0.9
85.02837	6.2
87.00753	9.6
89.02313	1.0
93.03336	1.7
97.06408	0.9
99.00804	1.5
101.02337	1.3
103.00251	3.3
103.05412	1.0
105.06966	2.7
109.02850	1.1
111.00787	1.2
112.98714	4.9
113.02344	1.9
115.05394	1.6
119.03420	0.9
119.04923	5.5
123.04385	1.1
125.02333	2.5
129.01837	2.1
131.04918	3.2
131.51054	0.7
133.06499	4.0
134.03557	0.8
135.04410	1.8
137.02400	1.7
146.08144	1.2
147.04462	2.0
149.05959	2.2
163.03922	1.6
163.07574	0.9
165.01875	0.9
165.05379	1.1
165.09154	2.9
177.05464	2.2
179.03400	1.0
179.06984	1.0
204.04018	0.8
205.03511	1.0
223.04533	2.7
225.14888	0.8
237.07654	100.0
238.07869	4.8
305.84619	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	3.5
57.03322	22.4
59.01250	9.9
67.01766	2.7
70.55750	9.8
71.01263	11.7
73.02819	4.2
75.00738	2.7
83.01270	9.7
84.02011	4.0
85.02822	100.0
86.03197	3.4
90.32415	2.7
96.62651	3.0
97.24055	3.0
99.00806	3.5
101.02335	9.5
111.00762	28.5
112.66898	2.5
119.04907	20.5
125.02348	5.9
129.01822	42.5
147.04413	16.0
163.00296	5.1
163.03914	23.1
165.05511	9.6
190.99803	13.8
192.00577	7.3
205.03493	23.3
207.02890	5.0
223.04544	35.7
303.51886	2.9
369.08017	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	5.7
57.03329	12.6
59.01245	8.7
64.99139	2.0
69.55357	4.2
69.55692	19.6
71.01250	7.9
72.99166	4.6
74.91293	2.0
75.00746	3.1
81.03338	3.3
83.01260	13.7
85.02822	72.8
87.00726	6.1
91.25935	2.1
98.19823	4.5
99.00758	4.5
101.02316	4.9
111.00765	25.1
112.53099	2.0
119.04918	15.8
120.05235	2.6
123.12962	2.4
125.02336	8.6
129.01837	31.1
130.33057	2.0
143.03426	5.6
163.03966	19.4
191.01947	5.9
205.03479	37.4
223.04541	100.0
227.74605	2.7
237.07632	3.0
281.10388	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	369.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.0
59.01239	2.6
69.03333	2.4
69.89859	5.7
71.01266	2.4
72.99177	26.9
75.00752	6.0
81.03334	25.8
85.02818	11.4
87.00755	2.1
97.02808	2.5
98.19819	1.2
99.00758	16.4
113.02320	6.3
117.01817	2.7
119.04909	3.2
123.04400	1.0
125.02339	66.7
126.02637	1.4
129.01833	28.6
130.74899	1.1
131.03450	1.9
143.03419	8.6
147.02895	9.9
152.00957	1.2
161.04399	3.3
163.03897	3.3
169.01309	2.6
205.03470	46.1
206.03821	1.5
223.04546	100.0
224.04819	4.2
237.07674	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35119	0.9
55.01757	4.3
57.03324	19.8
59.01249	10.4
67.01760	1.7
70.30574	3.8
71.01262	10.7
72.99186	4.0
73.02841	3.2
73.43246	0.9
75.00736	4.0
81.03328	1.5
83.01254	11.2
84.02055	1.6
85.02826	100.0
86.03166	1.5
87.00768	2.4
89.44426	1.0
99.00761	3.5
101.02316	9.8
103.00230	1.2
103.03912	1.4
111.00768	34.9
119.04930	8.3
123.04374	1.7
125.02325	4.8
129.00877	1.7
129.01837	31.2
131.03459	1.4
145.02867	1.7
147.02882	2.9
161.04468	2.8
163.03964	7.3
187.02325	2.1
191.01971	1.1
205.03474	29.8
206.03775	1.6
211.77937	1.0
223.04555	69.4
224.04889	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	369.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	2.9
55.57341	1.9
55.69698	1.6
57.03315	8.9
59.01240	2.6
64.08967	1.7
69.03313	4.9
71.01239	8.5
71.12172	3.5
71.12521	3.7
71.81975	2.1
72.99180	35.6
75.00739	13.1
79.60886	1.6
81.03329	49.6
83.01266	4.6
85.02821	47.8
85.14610	2.1
87.00760	4.2
97.02823	2.3
99.00751	24.7
101.02330	2.8
103.00206	2.3
111.00801	9.3
113.02310	7.3
117.01803	2.7
119.04927	10.2
125.02332	100.0
126.02703	2.6
129.01808	15.3
131.03441	3.4
139.00220	2.6
143.03421	12.8
147.02885	3.4
147.04402	11.0
161.04471	6.9
163.03877	4.5
205.03468	72.1
211.38745	2.3
223.04538	46.4
224.04852	5.2
274.90002	2.2
309.05823	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	369.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	4.4
57.03318	7.1
59.01234	2.9
59.53777	1.5
62.72083	1.5
64.67159	1.6
67.01770	1.8
69.03329	2.4
71.01257	6.2
71.56490	2.8
71.56861	2.2
72.99181	39.1
75.00736	12.2
81.03330	41.9
83.01272	5.4
85.02825	46.8
87.00778	3.6
97.02838	2.7
99.00751	29.6
101.02338	2.5
111.00771	10.3
113.02322	10.4
117.01836	5.1
119.04955	8.7
125.02340	100.0
126.02664	2.1
129.01828	21.6
131.03427	3.4
143.03400	16.2
147.02895	4.2
161.04482	4.5
163.03903	6.4
169.01334	4.4
189.91948	1.7
205.03488	69.0
206.03802	2.2
213.13010	1.7
223.04543	52.2
252.02075	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	369.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	5.9
57.03329	8.3
59.01240	2.3
69.03336	4.3
71.00585	5.0
71.01257	7.1
72.99181	40.2
73.02814	2.0
75.00761	10.9
81.03329	48.7
83.01258	3.1
85.02825	46.0
87.00761	4.5
97.02811	2.6
99.00756	26.9
101.02334	1.7
111.00745	9.4
113.02313	10.6
117.01830	5.3
119.04918	8.9
125.02338	100.0
126.02629	3.4
129.01837	22.3
131.03426	2.1
143.03421	17.8
147.02861	2.7
161.04449	6.9
163.03903	5.4
169.01279	3.6
197.27475	1.8
205.03468	85.7
206.03818	2.1
208.24052	1.6
223.04549	66.3
224.04776	2.6
233.62514	1.9
245.00970	1.9
265.91144	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	367.249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71281	0.9
53.55761	0.9
59.01250	5.6
69.93684	0.9
71.01250	1.6
78.50389	0.8
83.06030	0.8
89.02327	2.8
91.03890	10.4
110.81223	1.0
121.02837	1.5
138.60986	1.1
179.14313	1.5
179.65515	1.0
195.13876	8.6
223.13445	6.5
229.23083	1.0
256.13263	1.4
275.20236	4.9
293.21231	100.0
294.21567	9.7
332.20541	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	8.4
70.61941	1.0
71.01252	1.5
72.99149	1.1
77.18224	1.1
80.06153	1.0
89.02348	3.4
91.03886	12.7
111.08112	1.2
121.02867	3.7
121.10113	2.2
123.24666	1.1
149.50995	0.9
171.10168	8.9
186.95538	2.0
195.13869	8.7
223.13348	6.1
228.13631	1.6
229.34264	2.0
275.20184	12.8
293.21228	100.0
294.21487	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	367.2641
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
53.09192	0.7
55.05842	0.8
91.51717	0.8
98.19742	1.5
123.35646	0.8
133.06461	12.4
140.49760	0.8
149.09621	98.1
150.09937	5.4
205.15916	56.7
205.17900	1.6
206.16292	5.0
274.88321	0.8
295.17050	3.8
328.16760	2.8
367.26404	100.0
368.26724	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	369.046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	3.0
59.01250	12.0
65.00204	3.3
67.01742	4.7
68.99706	3.6
69.03315	3.2
69.69118	18.9
71.01261	6.9
71.22337	2.8
72.99191	6.4
73.02828	2.8
76.27909	2.4
79.05368	2.7
81.03339	7.4
83.01254	8.2
85.02811	15.2
86.39831	2.7
86.89287	2.4
87.00777	3.0
89.30289	2.5
93.03344	3.5
95.01247	12.7
95.04919	2.6
97.02840	3.0
99.00754	32.0
107.01243	2.9
108.19219	2.5
109.02829	32.4
111.00763	31.4
113.02327	3.8
117.03371	2.6
119.04932	24.0
121.02838	5.2
123.00763	21.1
123.04417	2.9
124.01609	3.2
124.98785	3.0
125.02345	19.0
127.00274	3.0
129.01810	6.6
129.03331	4.5
130.04112	3.7
130.45851	2.6
131.04895	3.0
133.02826	5.6
133.06398	2.8
135.04401	5.3
136.98700	7.7
137.02342	20.2
137.05943	2.7
139.00259	52.7
140.00923	3.2
141.01814	29.5
143.03453	3.9
143.04898	6.9
145.02864	5.8
145.06445	3.0
146.03642	4.8
147.00793	4.0
147.04417	100.0
148.04759	2.8
149.02333	3.6
151.00278	15.4
151.03870	2.9
152.01022	3.1
153.01845	15.1
154.99773	4.2
155.04791	3.6
159.04384	5.6
161.02356	3.8
163.00328	4.6
163.03922	26.5
165.01877	18.5
165.05484	79.4
165.98920	2.9
166.05902	3.8
166.99753	42.7
168.00519	10.5
169.01285	13.1
171.04501	5.9
175.00308	4.4
175.03928	9.6
177.01900	4.1
178.99809	17.2
181.01347	8.4
187.03908	10.0
189.01848	5.1
189.05531	7.6
191.01807	4.0
191.03419	4.9
193.01376	13.0
194.99289	68.1
195.99715	5.1
197.00827	22.4
197.02348	3.8
198.03127	2.9
199.03951	7.8
201.05487	2.8
203.03535	4.6
205.01361	3.1
205.03406	4.1
207.03030	3.9
209.00864	3.3
215.03447	12.2
217.05008	7.8
219.03061	5.0
223.04498	7.5
227.03481	4.9
233.04457	4.1
243.02962	15.9
245.04532	4.3
247.02406	7.3
261.03943	6.2
271.02554	11.7
283.07678	2.9
287.01889	5.2
289.03500	19.2
307.04575	4.9
315.01370	14.9
333.02560	38.5
334.02850	4.8
351.03534	23.3
369.04608	59.7
370.05063	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	367.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	4.3
59.01252	3.9
64.39775	0.6
71.37837	1.3
77.86190	0.6
83.60792	0.6
91.28181	0.7
97.06484	1.3
99.17161	0.6
109.06487	0.9
113.09613	17.4
116.50475	0.6
121.02842	1.8
122.12238	0.6
139.11180	1.5
139.66315	0.7
159.11464	0.5
159.13525	0.8
167.10683	2.4
177.12833	1.3
179.10663	1.1
186.95683	0.7
195.13795	2.3
209.04483	0.8
249.22141	1.9
274.06891	0.6
275.20206	1.1
293.21228	100.0
294.21609	9.6
309.20816	0.8
330.05557	1.9
367.16925	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69975	0.6
57.03323	4.0
59.01248	3.9
71.01241	0.5
83.86880	0.5
85.02839	0.6
97.06475	0.8
98.19795	1.8
109.03277	0.4
109.06442	0.5
113.09606	15.2
114.09966	0.5
121.02844	0.8
128.14030	0.5
139.11180	1.4
149.09636	0.7
167.10651	1.8
167.71341	0.5
177.12758	1.0
179.10690	1.8
190.47873	0.5
195.13843	2.8
215.46812	0.6
249.22197	1.5
293.21213	100.0
294.21545	9.6
349.23706	0.6
367.16312	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1657
Annotation	Polyneuridine-N-oxide
Peak:m/z	Relative Intensity
59.01242	7.4
62.23703	2.0
63.90567	2.0
66.07098	2.0
66.36128	2.8
71.04897	3.2
71.09350	2.3
85.02859	2.4
85.06464	2.8
89.36875	2.2
93.03358	2.3
109.06491	3.5
121.02821	7.7
125.81791	2.6
150.71190	2.1
177.12817	3.2
179.14163	2.6
195.13857	14.9
209.04480	2.9
221.15396	7.7
223.13342	9.1
239.16495	2.7
244.96243	2.2
245.11693	14.8
281.08081	11.2
283.09668	2.6
291.19598	19.9
293.21100	3.2
309.20740	54.5
310.21194	3.9
367.16531	100.0
368.16888	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	367.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34461	0.5
52.09063	0.5
53.44707	0.6
55.32446	0.6
55.55355	0.5
57.03331	0.6
59.01252	100.0
59.95514	0.5
60.01590	1.1
66.29357	0.6
69.42217	2.8
69.42648	2.1
71.01248	2.7
73.02827	1.3
83.01302	0.7
85.02813	2.8
94.00926	0.6
98.19778	0.7
99.00784	1.2
101.02323	3.6
105.89700	0.5
113.02363	1.6
119.04911	8.6
134.03651	1.7
145.02866	0.7
146.90564	0.5
161.04512	2.5
163.03911	6.1
166.99773	1.0
180.88680	0.6
193.05052	1.5
194.99220	1.0
221.20395	0.5
260.75311	0.6
307.17572	6.3
325.96591	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59144	1.5
55.01748	5.8
57.03315	4.9
58.00468	2.4
59.01250	50.5
69.53051	3.0
69.53464	9.7
71.01254	59.3
72.99165	4.6
73.02821	28.7
75.00745	2.6
83.01254	14.6
85.02826	43.0
87.00744	2.9
89.02324	16.3
89.21266	1.3
95.01255	3.6
97.02832	4.1
99.00782	11.4
101.02327	59.0
103.56938	1.4
111.00758	3.7
113.02335	20.9
114.30294	1.3
115.03918	2.6
119.04907	4.6
125.02336	4.1
129.01831	2.7
131.03395	6.7
134.03658	2.0
143.03407	2.0
147.02905	1.8
149.04398	1.8
159.02879	4.2
161.02408	1.9
161.04465	25.6
163.03888	2.7
187.29196	1.4
205.03423	4.3
231.32985	1.5
233.06593	2.0
235.11848	100.0
236.12102	5.1
279.03177	1.5
367.16052	59.4
368.16476	4.3
380.49609	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1652
Annotation	Polyneuridine-N-oxide
Peak:m/z	Relative Intensity
56.51051	2.4
59.01244	6.3
69.03329	3.9
76.81960	1.8
79.65285	2.1
80.29147	1.9
85.02801	3.2
91.76569	2.0
97.02824	28.9
117.02044	1.9
119.08495	2.0
128.40968	2.9
137.09633	12.3
171.10199	17.6
185.95590	3.1
291.19553	4.3
309.20688	55.6
310.21072	2.9
313.17740	3.5
331.18823	3.7
367.16544	100.0
368.16953	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	367.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	5.2
69.29877	2.7
69.30299	4.1
71.01241	1.4
83.01212	0.7
84.04007	0.6
86.22178	0.7
98.20309	3.1
119.04984	0.9
121.02843	22.5
145.02838	0.8
147.04442	2.2
148.05206	100.0
149.05522	4.3
163.03954	5.2
163.07559	63.3
164.07901	3.2
262.20120	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49480	1.9
54.15311	1.7
55.01751	7.8
57.03316	7.2
58.00459	2.4
59.01253	49.4
69.03310	2.9
71.01256	72.0
71.18057	4.4
71.18409	2.0
72.99155	4.4
73.02814	36.3
74.18172	1.8
75.00732	2.5
77.28999	1.9
83.01249	16.6
85.02824	51.3
85.99983	2.6
87.00765	3.7
87.04369	6.3
89.02314	12.5
91.64927	2.1
95.01258	3.5
97.02837	3.3
99.00769	12.7
101.02322	73.8
111.00743	4.9
113.02325	23.4
117.03373	2.4
119.04916	23.6
124.23811	2.0
125.02325	4.2
131.03391	4.5
134.03607	6.7
143.03358	2.5
147.02829	2.5
149.04434	3.3
153.75565	1.9
159.02969	4.4
161.04463	21.8
163.03871	11.2
175.03908	2.6
181.08366	2.2
191.01875	4.2
191.05424	3.3
193.04977	2.5
205.03520	2.9
208.98962	2.4
223.24913	2.0
235.11836	100.0
236.12231	4.8
367.16031	63.2
368.16226	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	367.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48068	6.7
53.61446	6.8
53.77336	6.8
54.57385	6.1
56.44503	7.9
56.89051	6.8
59.01247	9.9
64.28105	8.7
65.00195	19.6
67.01758	9.4
68.64274	7.0
69.03317	7.5
69.68188	51.9
71.01238	13.4
81.03322	11.8
83.01254	17.5
85.02798	9.8
93.03339	14.5
95.01263	23.9
95.27215	7.4
96.99157	7.5
97.02888	8.5
99.00744	42.6
109.02824	36.3
111.00759	52.8
113.02293	7.2
119.04900	7.5
123.00784	42.5
125.02342	59.1
127.00277	20.6
136.98706	13.8
137.02310	26.6
139.00256	100.0
141.01871	49.6
146.85025	7.1
147.04419	11.4
151.00223	29.7
152.01010	8.5
153.01842	65.4
154.99734	59.1
157.01334	13.3
159.04250	8.0
161.02380	12.5
163.00276	14.3
165.01805	19.4
166.99780	67.0
167.03476	9.8
168.00549	7.8
169.01309	27.4
175.00288	7.1
175.03900	17.1
177.01894	17.2
178.99800	38.1
181.01306	30.4
182.99234	9.3
185.00786	14.3
187.03908	13.8
191.03357	8.2
193.01328	26.4
194.99283	85.6
195.99611	8.9
197.00822	27.5
206.99271	12.5
209.00844	16.1
213.00330	26.6
216.99023	7.0
219.02916	14.7
231.02856	8.0
233.04475	12.1
259.02377	11.1
349.01913	18.6
367.03043	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19291	0.5
55.01748	1.0
57.03309	0.8
57.41247	0.6
59.01249	0.7
64.80748	0.6
66.03342	1.2
69.03326	18.2
70.08591	2.8
71.01252	1.3
71.04900	1.6
80.02527	1.0
80.66203	0.5
80.80383	0.6
81.03337	0.8
82.06503	3.7
87.34528	0.6
87.38263	0.6
87.39988	0.5
108.34418	0.6
109.01595	8.7
122.09605	0.6
124.00272	2.3
124.03921	1.0
140.07083	2.0
140.10712	5.8
150.09160	1.6
152.07082	18.4
153.07515	0.9
153.12791	5.0
168.10211	100.0
169.10614	4.1
169.15898	2.5
179.14342	2.9
181.15906	8.9
193.15909	4.0
195.08823	0.7
195.13788	0.7
209.15410	1.3
223.57106	0.7
227.07971	1.8
232.24554	0.5
266.24939	1.1
273.04791	0.6
276.23215	1.0
278.17758	0.7
290.51669	0.6
294.24374	1.4
304.22830	9.5
305.23224	1.4
312.84970	0.6
322.23862	72.3
323.24197	6.9
354.22729	1.4
366.22833	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	366.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.6
59.01264	3.3
66.38212	1.4
69.03329	20.1
71.01260	2.0
71.57944	2.0
77.27123	1.1
82.06519	2.8
98.19975	1.5
103.42790	1.4
109.01582	11.6
117.48544	1.3
121.02865	3.4
124.00316	2.9
124.03931	1.3
140.07095	1.8
140.10748	7.2
152.07098	23.5
153.12787	5.5
168.10216	100.0
169.10480	2.4
169.15883	3.0
179.14369	3.9
181.15906	9.2
186.95499	1.7
193.15929	3.7
209.04459	2.2
227.07957	2.7
294.24286	2.4
304.22913	10.4
305.23227	2.4
322.23865	81.2
323.24173	7.9
337.29919	1.3
366.23010	7.8
367.03555	1.7
367.16238	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	366.2647
Annotation	(5Z,8Z)-tetradecadienoylcarnitine
Peak:m/z	Relative Intensity
59.01239	2.6
60.99170	4.0
70.06716	1.4
71.13513	2.6
71.13826	1.9
72.00772	3.5
72.04405	4.7
74.02345	100.0
81.73444	1.6
84.04422	2.7
84.25824	1.2
89.63684	1.3
97.06484	1.7
104.03414	27.5
129.06125	1.3
153.16913	1.4
261.22202	3.4
290.25049	4.5
292.26501	6.1
304.26456	20.6
305.26834	3.2
318.24368	19.9
322.23947	1.8
336.25427	52.3
337.25830	4.9
366.26511	61.1
367.22662	1.7
367.26730	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	366.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44598	0.7
50.89051	0.7
54.83536	0.9
55.01761	0.9
62.81485	0.9
69.03326	17.7
69.74800	5.7
71.01262	1.5
71.04906	1.6
75.12421	0.8
80.02541	1.4
80.04945	0.8
83.04922	0.9
98.19765	0.8
111.88046	0.8
123.03138	7.2
124.00317	1.7
137.04770	2.2
140.07079	1.8
140.10727	6.7
150.09169	1.4
152.07083	21.5
153.12753	4.7
168.10213	100.0
169.10556	3.5
169.15910	2.5
179.14378	2.8
181.15904	11.3
191.14406	0.9
192.34769	0.9
193.16034	1.8
206.80293	0.9
209.15433	1.2
227.07822	1.1
236.16487	1.2
251.23940	0.9
264.16132	1.4
266.24869	1.1
293.21442	1.9
294.24399	2.5
304.22824	6.5
322.23862	74.7
323.24271	7.3
340.15973	1.0
354.22525	0.9
366.22803	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	365.233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	2.2
59.01255	8.0
60.12679	0.7
71.15527	2.2
71.97293	0.8
76.35646	1.1
91.03885	1.0
93.59689	0.8
111.08048	11.0
123.08047	0.9
137.09715	1.0
167.10727	2.4
175.02982	1.0
177.12767	1.9
179.10677	2.2
195.13855	6.4
201.02487	2.5
247.20711	2.3
273.18661	1.5
291.19653	100.0
292.20081	7.8
362.47568	1.0
365.17657	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	366.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04445	1.2
53.97151	1.7
57.03324	3.6
59.01251	2.0
61.04076	1.3
68.01280	6.5
70.02844	5.8
71.38129	3.4
75.29517	1.3
82.02862	4.3
94.02864	2.1
95.02380	15.5
96.95889	1.8
97.03944	13.3
98.05992	4.5
99.01886	3.1
99.05493	1.6
107.06019	2.4
108.04417	4.4
109.03976	10.2
121.02848	1.9
122.03496	1.6
123.05527	6.5
125.03486	2.9
125.07070	3.8
134.03491	34.9
150.06596	9.3
150.87158	1.3
153.12740	5.1
155.14294	5.6
168.69304	1.5
169.15939	9.1
171.13780	2.8
194.15450	4.0
195.17513	3.1
196.16989	82.4
197.17365	4.5
208.17010	2.5
209.58044	1.4
210.18585	12.2
220.17094	2.9
222.18639	9.7
244.16934	1.7
251.21202	5.1
252.19656	4.3
261.19809	3.4
262.18109	8.4
277.19086	2.5
279.20761	100.0
280.21115	8.1
304.20306	43.3
305.18604	2.5
305.20679	2.0
322.21259	9.8
323.19562	1.5
366.20203	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	365.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15978	0.7
52.76507	0.7
59.01251	100.0
60.01598	0.8
61.98708	3.2
76.05093	0.7
76.29188	0.8
125.02369	0.9
306.13571	1.9
338.18161	0.7
366.15842	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64355	0.3
50.79413	0.4
57.03316	1.1
58.25861	0.4
58.93499	0.4
59.01255	3.9
61.23313	0.4
70.96468	1.1
77.45117	0.4
91.03871	0.8
93.06957	1.1
97.06474	0.9
111.08051	1.8
120.05775	0.4
121.10110	8.0
122.10345	0.4
123.08029	1.0
125.09606	4.8
147.08041	1.1
163.11168	0.6
165.12772	0.5
167.10718	0.6
177.12785	0.7
179.10681	0.5
185.11769	9.4
186.12094	0.7
195.13811	1.4
197.11769	2.7
201.02435	1.3
208.50258	0.4
209.11867	1.3
211.13338	1.6
211.53595	0.4
223.13364	0.5
245.19437	0.4
247.20674	0.9
267.07755	0.7
273.18686	1.5
283.26599	0.5
289.18088	0.8
291.19650	100.0
292.19992	10.0
365.14935	1.1
365.23285	1.6
366.26648	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01586	0.8
61.86662	0.6
62.07906	0.6
70.69732	0.6
71.01253	8.8
85.02836	1.2
87.00768	0.8
89.02316	11.1
91.54452	0.6
101.02345	3.6
113.02329	3.9
119.03411	4.1
143.03383	1.1
143.40318	0.7
149.68526	0.6
161.04440	1.7
179.05563	2.6
219.56517	0.8
230.26634	0.7
234.46425	0.7
297.17566	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12125	0.6
59.01252	100.0
60.01593	1.5
71.01275	1.3
89.79167	0.6
94.73648	0.6
98.20580	1.2
113.02357	0.6
123.00817	1.0
123.04459	0.9
125.02351	3.3
148.48746	0.6
151.03975	0.8
169.01288	0.8
173.06119	0.7
185.54927	0.6
229.24123	0.6
259.13428	0.9
266.05206	0.6
304.43921	0.6
306.13599	1.4
353.01300	0.6
366.15616	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62210	0.7
59.01252	100.0
60.01582	0.8
61.07776	0.8
65.40092	0.8
69.86185	3.5
69.86598	1.2
71.01261	0.8
75.93530	0.9
78.95768	1.7
98.19827	1.0
103.91625	0.7
111.44423	0.7
136.03888	0.9
148.34940	0.9
152.99519	2.7
155.15732	0.8
155.26566	0.8
161.87253	0.8
297.94101	1.0
365.18689	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40664	0.7
55.01750	1.3
57.03330	1.9
59.01254	100.0
60.01590	1.2
63.41821	0.9
69.38467	2.6
69.38893	4.8
71.01262	18.9
72.99194	0.9
73.02820	7.2
75.00762	1.0
81.55635	0.7
83.01268	3.9
85.02821	9.9
85.03289	1.0
87.00748	0.7
89.02317	2.5
95.01273	1.7
99.00755	2.6
101.02329	14.8
111.00737	1.1
113.02332	6.4
119.03386	0.9
125.02325	0.8
129.01831	1.2
129.29256	0.7
135.04413	1.7
147.06508	0.9
159.02902	1.4
161.04501	5.0
179.03439	1.1
203.12788	0.8
263.11478	1.1
305.13071	0.8
305.16013	5.6
310.06067	0.7
347.17178	0.9
365.18146	67.3
366.18521	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	365.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	5.6
59.01253	100.0
64.28261	3.7
69.48376	30.2
69.48695	6.9
71.01263	16.2
85.02811	8.2
87.00768	3.8
89.02320	6.0
101.02338	14.5
109.02876	3.9
113.02318	11.0
119.03366	4.0
119.04942	4.8
121.02927	4.0
125.02354	14.1
145.07616	45.7
150.03157	3.8
161.04451	6.9
185.22102	3.2
188.08231	45.6
214.09831	14.6
219.57802	3.6
234.70445	4.1
256.10971	14.5
322.13989	31.8
366.11734	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	365.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
71.01248	23.4
71.04886	2.8
71.41467	2.0
71.57253	3.0
73.02818	9.5
83.01266	3.4
84.04359	2.6
85.02802	4.0
89.02276	3.3
96.00790	7.3
96.95891	4.4
101.02316	10.1
113.02316	4.9
121.38882	2.1
125.02320	3.8
130.41606	2.2
145.07617	8.7
160.06326	39.1
161.04420	3.5
161.07111	74.9
162.07399	2.6
173.07097	2.1
173.10776	4.0
175.08673	50.1
185.10738	3.3
187.08708	10.3
189.06618	78.1
190.07068	4.5
201.10278	16.0
203.06467	4.0
203.08197	36.9
203.11798	20.2
229.01433	2.0
229.09796	30.1
230.10046	2.4
232.80984	2.4
245.09210	3.9
249.12318	3.1
277.11850	7.9
277.91290	2.2
305.11423	96.4
306.11731	6.6
323.12476	4.0
327.61331	2.2
365.08737	2.5
365.18246	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	363.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51410	1.3
55.88789	1.2
57.03310	5.0
59.01253	100.0
68.18614	1.3
69.65974	1.2
69.81889	8.3
71.00897	1.9
71.01259	27.1
72.99191	2.5
73.02815	3.5
74.02318	1.4
82.02837	2.4
83.01271	2.3
85.02808	7.7
89.02322	18.6
95.01250	1.5
101.02316	18.5
109.02834	1.8
111.00701	1.4
113.02342	8.6
119.03419	9.5
122.06090	1.6
132.04390	2.4
136.03978	1.6
143.03473	1.9
158.05954	1.7
161.04471	4.8
165.09087	1.3
168.25696	1.4
179.05519	1.8
183.10202	5.3
189.41707	1.3
196.41315	1.2
201.11302	2.5
219.07767	1.8
228.73909	1.4
261.08701	1.6
287.10266	2.6
292.68155	1.4
323.04254	1.6
363.12213	3.9
363.16586	68.3
364.12625	1.5
364.17026	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	363.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01732	1.3
57.03313	1.7
58.00464	4.5
59.01254	100.0
60.01583	1.4
69.56818	6.4
71.01254	61.2
72.99187	7.3
73.02826	2.0
83.01253	3.7
85.02834	12.3
87.00742	1.5
89.02320	66.0
90.02647	1.2
95.01273	5.8
99.00772	1.8
99.08051	1.7
101.02327	46.8
113.02334	24.7
116.99280	1.2
119.02573	1.9
119.03392	34.2
131.03389	2.1
143.03374	3.0
149.04459	1.4
151.56470	1.2
155.14372	1.3
161.04498	1.9
179.05556	2.9
183.13846	23.7
201.14917	5.3
307.80319	1.1
363.20230	73.8
364.20700	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	363.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41986	0.9
51.46024	0.8
51.55951	0.8
53.83961	0.8
55.39400	0.9
59.01253	79.3
60.01605	1.0
69.55370	6.4
69.55784	1.8
86.11221	0.9
88.19636	0.8
92.19662	0.9
98.19890	2.0
98.20488	1.8
121.02820	2.1
135.04428	4.9
161.05984	2.1
162.06731	1.1
172.47691	0.9
175.07510	0.8
176.08327	1.7
186.34982	0.9
190.09940	38.9
191.10278	3.1
204.07935	1.6
205.08633	2.4
222.08925	34.8
223.09274	1.8
231.13884	59.9
232.14200	4.9
250.08487	1.5
259.13391	100.0
260.13751	9.6
303.12338	3.4
310.20624	1.0
321.13397	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69459	0.6
56.47204	0.5
59.01252	100.0
60.01595	1.5
69.68967	4.6
71.01257	1.3
81.02940	0.6
87.35965	0.6
89.02368	0.6
98.20522	1.2
101.02358	1.1
130.78133	0.6
216.61786	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32472	0.4
55.01759	1.1
57.03325	2.9
58.00465	1.2
59.01255	23.8
61.40145	0.4
69.03299	0.5
71.01256	16.3
71.58365	0.6
71.58759	0.7
72.99179	2.4
73.02827	2.6
81.94616	0.5
83.01289	2.8
85.02831	5.4
85.06474	2.5
85.30344	0.5
85.99980	0.6
87.00754	0.9
88.96976	0.5
89.02321	8.3
89.02833	0.8
95.01249	1.2
99.00779	1.1
101.02326	11.0
111.00830	0.5
113.02341	5.0
119.03390	3.6
135.04443	0.6
142.87120	0.5
157.07686	0.6
157.12196	0.8
161.04494	0.8
165.09137	1.4
183.10181	5.8
201.11269	6.7
209.54369	0.5
219.07629	0.5
261.08841	1.3
345.11624	0.5
345.15439	2.6
363.16605	100.0
364.16907	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	363.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.1
57.03328	9.9
59.01254	100.0
60.01605	0.7
61.98691	0.8
62.25104	0.7
66.20557	0.5
69.38681	6.2
70.68425	0.6
71.01259	25.0
72.99193	2.0
73.02825	5.1
73.26337	0.6
77.62919	0.6
83.01273	2.6
85.02825	10.4
87.00781	1.5
89.02320	15.7
94.21209	0.7
95.01283	2.3
97.06482	0.6
99.00760	2.0
101.02327	22.9
111.00774	1.0
113.02345	9.1
119.03384	6.1
123.08030	1.7
129.01859	1.0
143.03474	0.9
159.02957	1.0
160.03903	1.7
161.04457	4.2
179.05534	1.0
183.10210	11.9
185.11751	1.0
211.34962	0.6
301.11856	0.8
303.14569	2.1
363.16614	83.7
364.16895	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	363.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82573	0.6
59.01253	21.8
66.58733	0.7
69.41241	5.7
69.41530	0.6
76.12170	0.7
78.48325	0.8
135.04419	2.0
146.03615	3.0
147.04413	2.4
159.04411	2.8
161.06032	3.9
171.04497	3.7
173.05988	0.9
174.03145	1.7
174.06775	1.1
175.03903	0.9
175.07570	14.3
176.07858	0.9
187.03879	0.9
187.07623	1.5
188.04773	0.8
189.03955	1.3
189.05513	14.0
189.09108	2.6
201.09218	0.8
203.07063	10.4
204.07924	3.7
204.47665	0.7
205.08444	0.9
215.10637	1.0
218.09465	3.9
230.09447	17.5
231.09801	0.9
241.12231	1.8
259.13391	100.0
260.13724	8.3
285.11450	0.8
303.12375	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	363.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	31.0
65.01311	0.7
70.38242	2.4
71.01260	1.2
75.03242	0.6
90.33273	0.7
98.19778	0.7
98.20342	1.5
99.57217	0.6
102.29401	0.6
110.42937	0.7
131.03653	1.3
144.04384	1.3
145.05113	0.9
146.03560	1.9
146.06026	2.6
147.03273	1.5
147.04416	18.7
148.05084	0.8
159.04456	0.9
161.02367	14.2
161.05984	2.3
162.03008	1.2
162.06766	2.9
175.03923	40.3
175.07484	3.4
176.04257	1.6
177.09163	0.8
185.05992	4.9
189.05478	2.1
189.09163	1.2
190.05052	1.9
190.09904	0.8
200.08342	5.0
202.06314	1.4
203.06949	1.6
204.07817	2.0
217.08710	1.5
218.09438	25.7
219.09715	2.0
231.13841	2.1
249.08920	0.7
252.62398	0.7
259.13391	100.0
260.13727	8.7
264.56140	0.7
264.66788	0.8
303.12320	4.2
363.20346	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	76.3
64.27042	0.7
67.46945	0.8
69.50456	6.0
75.63201	0.7
90.48471	0.7
101.02336	0.9
121.02827	0.9
135.04393	4.9
147.04410	1.2
161.06042	1.4
176.08281	1.0
189.09090	0.7
190.09924	37.3
191.10272	1.8
204.07823	1.1
205.08630	2.9
215.10843	0.9
218.09514	0.9
222.08925	28.8
223.09213	1.4
231.13864	58.1
232.14211	4.9
250.08495	0.8
259.13385	100.0
260.13702	7.2
303.12515	5.0
321.13437	1.2
363.14481	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1449
Annotation	samaderine C
Peak:m/z	Relative Intensity
55.01811	0.6
57.03353	0.8
59.01252	4.6
60.99215	1.0
69.03368	0.8
69.52403	3.0
69.52831	2.3
71.01312	2.3
71.04896	12.7
79.54196	0.7
79.65193	0.6
82.02937	0.7
83.04439	0.7
83.04895	18.4
83.11135	0.7
85.02864	0.8
89.02371	0.6
91.35294	0.6
99.88820	0.6
105.06989	3.2
119.03452	0.7
126.37873	0.6
132.44911	0.6
133.06543	0.8
143.08563	11.7
143.09555	0.9
145.06570	0.6
145.10161	1.1
146.07356	0.9
155.08638	1.7
157.10185	0.9
159.08115	1.2
159.11745	0.9
161.09717	2.9
169.06557	0.7
169.10210	0.8
171.08080	1.2
172.08913	1.0
173.09660	0.8
183.11665	4.2
185.09746	1.5
197.09787	1.1
197.13272	1.4
198.10396	0.8
199.11230	4.1
201.12767	12.7
202.13298	0.9
211.11255	0.9
213.12758	1.4
221.13353	1.5
227.10803	3.8
227.14314	0.7
229.12335	3.1
237.12827	1.3
239.14371	10.4
239.16618	0.9
240.14780	0.8
255.13713	1.5
257.15445	7.0
258.15900	0.8
265.12415	0.9
283.13348	3.5
284.03204	0.9
287.10437	1.2
301.14471	11.5
327.12399	1.8
333.13464	1.5
345.13406	100.0
346.13794	12.2
363.14465	62.2
363.21368	0.9
363.23776	1.3
364.14886	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17949	2.4
59.01257	100.0
70.71493	6.8
78.95786	10.6
97.06474	21.6
121.02850	90.2
122.03190	2.8
152.99507	17.2
161.06001	81.5
162.06790	71.3
163.07507	7.2
195.58035	2.3
206.05783	11.0
259.13406	4.1
289.90625	2.7
296.57001	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	363.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	98.9
71.07227	4.1
73.20377	2.3
91.94440	1.8
93.03331	3.3
94.11400	1.9
97.06470	23.5
119.74641	1.9
121.02842	91.5
156.95589	2.0
159.04428	3.4
161.05983	100.0
162.06776	95.1
163.07384	6.6
191.45132	2.2
206.05779	11.8
214.12476	1.9
259.13437	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	363.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	98.5
70.36495	16.3
97.06454	26.1
102.40775	4.2
116.39615	4.2
121.02851	100.0
147.33226	3.5
161.05992	89.1
162.06801	85.6
163.07271	5.4
206.05829	10.7
227.42744	4.4
259.13449	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	363.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
71.36745	4.0
78.95802	2.6
90.87445	1.7
93.03348	3.1
97.06480	21.4
115.07751	1.8
121.02853	85.6
133.06425	3.2
152.99493	3.6
153.77507	2.2
159.04387	2.1
161.05998	77.2
162.06790	73.1
163.07478	6.6
172.95107	2.0
194.32349	1.6
206.05774	8.5
259.13406	4.3
380.10330	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	363.0485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29106	0.5
59.01240	0.4
68.83231	0.4
69.33719	4.2
91.01773	1.4
95.75673	0.4
96.95870	0.4
98.19778	0.9
117.03302	0.5
126.95317	0.4
132.02055	0.5
133.02864	1.4
133.39378	0.5
135.00757	1.4
153.01834	0.5
167.05013	0.6
175.04716	0.4
180.05750	1.0
183.04474	0.8
185.06015	0.7
195.04457	0.9
196.05168	0.6
197.05948	1.7
208.05226	2.2
209.06033	3.6
210.06311	0.5
211.03967	0.8
223.03928	1.9
224.04625	2.6
225.05475	3.2
226.69913	0.5
251.03426	2.6
252.04262	3.7
253.05028	38.9
254.05383	2.3
279.03006	1.1
281.04547	100.0
282.04910	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	361.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68118	2.0
59.01246	17.9
59.93264	2.4
64.94530	1.9
69.88410	11.6
98.19806	2.2
137.48660	2.0
138.04260	2.1
214.61038	2.1
279.23300	100.0
280.23660	6.8
359.96173	2.1
361.14993	2.9
361.23480	11.8
370.23752	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	362.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87667	1.5
59.01252	100.0
69.66093	5.8
69.66512	4.0
71.01250	5.7
85.02815	2.7
89.02309	3.2
101.02312	3.8
140.07077	66.5
141.07445	3.3
153.23094	1.6
177.27658	1.4
183.10112	2.2
189.16228	1.3
193.88773	1.3
201.11227	2.3
352.01654	1.3
363.16556	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	361.1505
Annotation	[3R-(3alpha,3aalpha,4beta,5alpha,6aalpha)]-3-[(beta-D-Gulucopyranosyloxy)methyl]hexsahydro-4-(hydroxymethyl)-5-methyl-2H-cyclopenta[b]furan-2-one
Peak:m/z	Relative Intensity
55.01761	6.8
57.03328	6.6
58.00460	1.8
59.01251	43.6
69.03340	1.3
70.54588	2.0
70.54945	1.3
71.01252	43.6
72.99189	2.4
73.02820	14.1
75.00764	1.3
83.01256	9.7
83.04890	1.2
84.02047	0.7
85.02823	23.5
85.99988	0.9
87.00756	3.1
89.02324	11.4
91.88189	0.7
95.01245	3.4
97.02785	1.0
99.00735	5.9
101.02322	35.5
102.02663	1.2
107.29936	0.7
108.04425	4.9
110.61201	0.7
111.00739	1.2
113.02322	17.0
119.03384	4.5
122.05972	0.9
125.54963	0.8
129.01834	1.0
143.03398	1.1
152.54874	0.7
155.10664	5.1
159.02892	1.5
161.04439	4.7
162.32332	0.7
163.07570	2.3
179.05560	0.7
198.99931	2.7
199.09702	0.9
217.09779	1.7
247.10864	1.8
317.11307	1.2
317.16028	2.9
343.13968	5.0
348.56479	0.7
361.05563	2.3
361.15018	100.0
362.15326	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	361.1649
Annotation	Sauriol A
Peak:m/z	Relative Intensity
57.03325	0.8
59.01258	4.4
69.45198	2.8
69.45627	1.8
71.01262	2.1
73.02825	0.8
75.00738	0.9
85.02834	2.0
89.02330	0.9
93.03339	5.3
95.01263	0.7
98.20524	1.1
99.00757	0.8
101.02348	0.9
108.02068	1.5
108.04455	0.5
109.02850	11.6
112.13378	0.5
113.02345	1.4
117.57920	0.5
119.04918	1.8
121.02849	39.2
122.03652	24.1
123.00820	0.6
123.04472	4.9
124.01574	3.1
129.03375	2.2
134.03651	1.3
135.04410	4.8
136.01556	0.8
136.05211	1.5
137.02357	6.0
138.03191	0.6
146.03671	1.6
147.03279	1.2
147.04430	17.3
148.05252	1.5
149.05983	3.4
150.03122	0.7
153.01894	0.9
154.02618	4.3
159.02759	0.5
159.04401	0.9
160.05251	1.0
161.05997	7.3
162.06584	0.8
163.03928	1.2
164.04686	1.1
165.05496	39.4
166.05833	1.4
168.04237	0.8
173.05931	1.0
175.07611	1.0
178.06291	1.6
178.37424	0.5
179.07069	15.3
180.07413	0.8
180.59549	0.5
191.06981	0.8
208.07365	0.9
209.08144	1.5
223.09683	1.8
236.07919	0.7
265.05222	0.6
298.12085	1.4
301.20209	1.3
313.14490	1.8
313.18384	0.5
315.12448	4.3
316.13205	1.0
319.21368	1.8
331.15826	0.6
345.13599	0.8
346.14240	11.7
346.18185	0.9
361.16602	100.0
362.16992	11.1
374.22632	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1659
Annotation	Sauriol A
Peak:m/z	Relative Intensity
59.01242	4.3
69.35047	6.4
71.01241	2.2
73.02809	0.7
84.98822	0.6
85.02838	1.3
93.03321	4.4
101.02275	0.9
108.02061	1.0
109.02841	9.3
113.02301	0.8
114.60378	0.5
119.04885	1.2
121.02846	39.0
122.03645	24.5
123.04440	4.0
124.01581	2.8
129.03331	2.2
134.03580	0.8
135.04401	3.9
136.05141	2.7
137.02351	5.4
146.03609	1.9
147.03293	1.0
147.04427	16.9
148.05110	1.4
149.06007	3.4
154.02663	4.4
159.04381	0.8
161.05998	6.3
162.06709	1.4
163.03893	1.1
164.04720	0.7
165.05487	43.5
166.05818	2.9
168.04128	0.8
170.98102	0.6
173.05984	1.0
175.07573	0.9
178.06259	1.3
179.07071	17.0
180.07317	1.1
191.07062	1.3
205.08615	0.7
208.07202	0.8
209.08058	1.5
223.09711	1.5
243.17381	0.6
257.11807	0.7
285.11417	1.0
298.12112	1.0
301.10574	1.0
313.14441	1.8
315.12375	5.2
316.13068	0.8
345.13440	0.6
346.14160	11.6
347.14435	1.5
361.16489	100.0
362.16840	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	360.2181
Annotation	Tricalysiamide C
Peak:m/z	Relative Intensity
55.43956	0.7
57.03331	0.9
57.88244	0.7
59.01242	2.5
69.96246	3.3
73.89594	0.6
78.93978	0.6
93.03310	1.0
98.20316	1.4
106.02928	0.6
106.04116	1.8
107.04904	5.5
119.04935	0.9
121.02852	2.0
133.05246	8.9
134.06015	100.0
135.06334	3.2
146.05986	2.5
148.03847	0.6
153.12788	1.1
155.14285	0.6
162.09132	2.1
164.42557	0.6
169.15923	1.7
180.64096	0.6
192.17542	0.7
196.17053	4.7
202.98679	0.7
208.17018	3.9
210.18579	20.1
211.60106	0.6
217.00330	1.8
300.16687	1.8
316.22800	4.9
333.61938	0.7
360.21881	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	361.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07351	11.7
50.49843	14.4
54.22908	13.1
55.90642	12.1
59.01246	58.6
70.28855	44.3
71.01254	31.3
71.43697	11.6
90.76946	13.6
101.02341	23.6
123.00772	100.0
124.01575	19.1
138.03128	91.1
139.03856	38.0
161.04538	33.2
162.60246	14.6
192.34099	13.0
301.09201	38.0
360.51666	15.8
382.67526	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	361.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78282	1.7
53.35418	1.6
55.48952	1.6
59.01254	16.9
62.76432	1.7
67.10992	1.9
71.01249	6.5
71.59905	2.1
73.02803	2.7
75.00765	1.8
85.02833	3.0
89.02306	5.1
93.03327	5.3
101.02345	2.7
110.05983	3.3
111.00747	1.9
113.02331	2.1
119.03397	1.5
122.06019	13.7
132.04413	2.8
135.04350	2.4
137.02298	4.1
138.05508	2.1
144.04451	3.8
145.05258	14.9
146.06001	8.0
147.03175	2.7
148.03929	5.2
152.03391	1.9
156.47784	1.5
159.03162	2.2
160.03955	53.1
161.04753	21.3
162.05452	5.2
176.03418	11.4
177.04222	9.8
188.03412	3.8
189.04240	51.1
190.04970	5.1
192.02960	4.3
193.03711	17.5
221.03242	15.8
221.06815	17.4
243.11360	5.6
253.05928	4.7
253.32118	1.9
255.11427	15.5
261.12152	1.7
267.11392	28.4
268.11658	2.5
283.10858	3.3
285.09079	2.3
285.12341	4.1
299.10330	16.4
301.12033	1.9
311.10364	48.3
312.10895	2.1
329.11456	14.7
330.11627	2.4
331.12979	26.9
343.12979	100.0
344.13235	8.1
361.10037	3.1
361.14105	19.0
361.22354	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	361.1505
Annotation	[3R-(3alpha,3aalpha,4beta,5alpha,6aalpha)]-3-[(beta-D-Gulucopyranosyloxy)methyl]hexsahydro-4-(hydroxymethyl)-5-methyl-2H-cyclopenta[b]furan-2-one
Peak:m/z	Relative Intensity
54.56844	1.0
55.01759	4.5
57.03328	6.4
57.49464	0.8
58.00467	1.8
59.01256	38.4
60.01590	1.1
70.36223	3.8
71.01254	43.5
72.99178	4.3
73.02819	13.0
75.00747	1.2
75.72048	0.9
83.01268	10.5
85.02827	22.6
87.00754	4.1
89.02325	12.9
89.20724	0.8
95.01260	3.4
99.00762	5.1
101.02331	38.7
108.04418	3.2
111.00775	1.9
113.02338	14.6
119.03416	5.5
127.07459	0.9
129.01830	1.7
135.04414	1.0
137.09648	1.2
138.01910	4.3
139.02199	2.7
143.03369	1.3
155.10684	4.2
159.02890	1.8
161.04497	4.9
163.07581	3.0
168.97371	1.0
169.01270	1.1
198.99902	2.0
199.09680	1.2
217.09804	1.6
221.01042	0.8
238.89430	1.0
247.11040	1.4
273.12460	1.0
317.16031	2.0
339.32898	0.8
343.13876	4.6
357.63266	0.9
361.05396	2.8
361.15033	100.0
362.15384	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	359.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66700	0.5
59.01252	26.6
64.47822	0.5
78.47034	0.5
81.10554	0.6
104.99133	0.5
105.81721	0.5
110.59409	0.6
122.39989	0.6
127.07546	0.6
128.18985	0.6
235.04599	0.6
277.21719	100.0
278.22086	8.9
306.95947	0.6
359.22079	14.7
359.25998	1.2
360.22409	0.9
362.41660	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91028	0.5
55.01739	0.7
59.01250	8.6
66.00667	0.6
71.01265	4.0
72.99175	0.8
73.02787	0.7
74.91782	0.5
80.93663	0.5
83.01251	0.9
85.02836	1.8
87.00774	0.6
87.63570	0.5
89.02349	1.0
101.02331	2.5
108.02055	8.5
108.04438	1.5
113.02341	1.2
135.88449	0.6
138.01868	100.0
139.02209	3.3
155.10783	0.5
161.37956	0.5
199.00003	0.6
217.09717	0.5
220.16878	0.6
229.21796	0.7
239.44684	0.6
317.11221	0.6
351.84738	0.6
360.10275	0.7
361.10617	0.9
361.14975	6.3
368.37283	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.15
Annotation	Muricarpone A
Peak:m/z	Relative Intensity
59.01247	6.0
70.34406	11.9
83.01294	3.8
83.67169	2.9
109.02842	3.4
116.39289	2.7
121.02847	17.9
125.02295	5.1
137.02319	8.7
138.03113	3.3
140.01105	2.8
142.36812	3.0
145.02861	7.6
147.03406	2.9
147.04405	17.7
150.03119	8.4
151.03963	2.9
154.34280	3.0
158.03650	6.5
159.04417	25.7
160.05190	52.6
161.05978	16.9
163.03917	20.4
164.04683	9.5
167.03337	3.4
173.06012	12.8
174.03146	9.8
174.88687	3.5
175.03926	48.6
175.07559	37.4
176.04672	15.8
177.05435	17.3
178.06271	6.4
180.04204	20.3
188.04680	7.9
189.05507	16.1
190.06267	42.3
191.07083	39.2
192.07428	3.8
193.04955	17.9
193.08562	4.7
194.05602	8.5
203.07172	3.6
205.08629	30.9
207.06548	10.5
208.07375	17.3
247.78798	3.4
329.10510	5.0
329.13940	100.0
330.14301	9.7
344.12418	5.7
359.15024	66.2
359.20352	4.8
360.15005	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	359.1349
Annotation	Semperoside
Peak:m/z	Relative Intensity
51.11988	1.3
55.01754	4.4
57.03328	2.8
57.62674	1.2
58.00468	2.5
59.01253	35.0
69.50156	11.5
71.01257	42.6
72.99203	2.5
73.02818	11.7
80.99284	1.3
83.01271	6.0
85.02827	18.6
87.00743	4.3
89.02319	12.5
95.01285	2.3
99.00763	3.9
101.02325	31.9
108.01975	1.4
108.94893	1.3
109.02860	1.8
113.02336	14.3
119.03378	4.9
121.02853	3.9
122.03616	18.0
123.04399	5.3
124.01501	1.4
131.03386	2.5
135.04443	3.2
136.01619	1.7
137.02332	7.4
137.05965	1.9
139.00351	1.6
151.45114	1.4
153.01852	1.4
154.02605	2.5
159.02881	2.0
161.04469	4.8
163.03870	3.2
164.04681	1.8
169.04533	1.3
172.03952	1.2
179.07094	4.7
182.05771	39.9
188.09438	1.4
192.68941	1.5
197.04388	4.2
197.08139	100.0
198.08470	4.6
327.10718	2.2
359.09421	3.6
359.13501	31.4
359.17911	1.9
360.13779	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.062
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	3.2
65.00201	2.5
67.01737	1.1
68.99689	2.9
69.88305	2.1
69.88724	4.7
70.26066	0.9
71.01255	2.3
81.03333	1.4
83.01258	15.6
85.02837	1.3
97.02872	1.4
107.01289	4.1
109.02840	6.7
111.00773	1.2
116.94415	1.0
121.02864	1.4
123.00765	1.7
125.02345	36.4
126.02664	1.0
135.04420	3.7
137.02350	2.0
138.03107	1.2
149.00816	0.9
149.02324	2.5
151.00270	18.6
153.01845	100.0
154.02170	2.9
163.98042	1.1
164.06509	1.1
167.03409	2.0
177.01878	3.3
178.99797	3.8
181.17960	1.0
195.03033	1.9
197.04482	3.0
199.34537	0.9
287.08014	1.4
315.07245	5.9
359.06076	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	358.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10226	0.2
51.70863	0.2
55.77519	0.2
57.03326	0.4
59.01261	1.7
69.87378	1.8
71.01241	0.8
82.02860	0.6
83.01263	3.4
85.02817	0.4
98.02350	0.6
100.03903	0.2
101.02316	0.5
110.02349	1.0
115.00292	0.4
121.02848	0.5
124.03916	0.8
124.53841	0.3
125.02371	0.3
129.01892	0.3
135.04379	0.6
138.01868	20.7
139.02594	1.4
140.03444	0.7
145.86601	0.3
152.03462	2.5
152.07010	0.6
153.04210	0.5
153.09108	0.4
154.08682	1.4
166.04988	0.9
166.06270	0.3
166.08635	1.2
168.02921	2.3
168.10237	0.7
171.05614	0.4
179.05856	0.3
181.03735	3.0
181.08614	0.3
185.03194	0.6
194.08154	5.0
195.08728	0.5
196.09721	21.1
197.10054	1.1
208.09709	4.9
209.10034	0.3
210.11302	4.2
210.22655	0.3
238.10809	100.0
239.11165	6.0
242.14000	0.4
243.12428	0.3
268.11832	0.7
289.84805	0.3
317.19589	0.3
318.05081	0.3
358.15054	15.7
359.15488	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0981
Annotation	PD 169316
Peak:m/z	Relative Intensity
55.01746	0.9
59.01254	4.3
60.47083	0.8
67.01766	0.9
69.03298	1.0
71.01244	5.6
72.99178	0.8
73.02804	1.7
75.74506	0.7
83.01244	2.2
85.02822	4.0
87.00753	0.7
94.95252	0.7
95.01251	2.4
97.02853	0.8
99.00741	1.1
100.73815	0.7
101.02309	6.4
107.01268	4.0
111.00738	3.1
113.02294	1.1
123.00771	15.9
124.01500	0.9
125.02327	14.0
127.00243	1.8
136.98767	1.5
137.02321	1.1
139.00252	5.6
140.01080	4.9
141.01807	2.6
145.02908	0.8
151.00269	11.4
152.00552	0.8
153.01840	1.1
168.00551	4.8
169.01326	16.3
189.98160	0.8
197.04494	0.8
359.09814	100.0
360.10178	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	357.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.8
58.95918	0.6
59.01249	100.0
60.01577	1.0
69.66027	4.7
71.01260	6.1
73.02835	2.3
76.89708	0.7
83.01261	7.6
85.02808	3.1
87.04390	0.9
89.02325	1.6
93.03358	0.7
99.00823	0.8
101.02316	3.1
113.02338	2.2
121.02866	2.2
122.03626	1.7
123.04468	1.0
136.01437	0.7
137.06020	1.2
147.04489	0.7
149.36096	0.7
161.04436	3.8
221.08199	0.7
246.51807	0.7
291.22217	0.7
315.18036	1.1
327.08749	0.8
342.11255	2.3
357.13412	10.5
357.26599	2.0
358.13892	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.5
57.03294	0.6
59.01253	100.0
60.01585	0.5
60.77390	0.4
70.22746	2.0
71.01260	6.3
73.02818	2.2
78.55585	0.5
83.01260	2.4
85.02826	3.6
86.94188	0.5
89.02334	1.0
92.54609	0.5
95.01276	0.6
99.00742	0.6
100.78041	0.4
101.02322	2.9
101.59633	0.5
108.01362	0.4
113.02339	1.1
121.02909	0.6
122.03673	0.5
130.65912	0.5
159.02936	0.5
161.04445	2.7
184.62045	0.5
189.91527	0.5
217.70067	0.5
239.03619	0.5
312.06198	0.5
315.18311	1.3
327.08740	0.5
342.11194	0.6
357.09534	0.5
357.13431	2.6
357.26523	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01582	1.0
65.76277	0.7
69.74377	2.9
69.74790	2.6
71.01255	5.6
73.02811	1.4
83.01257	1.3
85.02842	2.8
95.01251	1.0
101.02311	4.2
101.25600	0.8
113.02308	2.4
134.90457	0.8
161.04448	2.7
171.10095	2.1
315.18097	3.5
357.22763	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	1.1
59.01255	10.5
63.95492	1.0
64.07787	1.0
69.54400	1.9
69.54806	6.5
71.04863	1.0
91.67516	1.0
98.20377	2.8
99.08035	8.5
99.72176	0.9
100.14902	1.0
120.14616	0.9
121.02844	7.1
127.11187	2.9
139.11163	10.2
155.14288	1.3
157.12187	1.4
167.29536	0.9
192.95789	2.2
199.11685	1.8
199.13344	21.0
211.16985	3.8
221.15425	2.1
239.16470	20.3
239.18730	1.8
240.16739	2.1
247.39955	1.1
257.17563	9.7
258.17874	1.2
346.08432	0.9
357.26428	100.0
358.26862	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	358.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	6.3
63.02257	8.6
65.00185	12.2
65.99718	23.7
81.03307	2.9
83.01255	12.3
93.03337	4.1
95.01252	12.3
96.04433	11.6
103.57464	2.9
107.01285	20.3
109.02832	22.2
121.02808	7.2
122.02328	3.7
123.00735	7.1
123.04372	4.8
124.01531	27.2
125.02327	31.6
135.00795	3.9
137.02344	50.0
139.00229	3.3
147.00746	5.2
149.02313	10.1
151.00272	57.9
152.01062	70.6
153.01849	20.4
155.45581	3.2
161.02295	5.0
162.01810	13.3
163.00262	11.9
164.03432	35.0
165.01810	20.7
167.03362	12.2
169.01323	9.5
175.00294	10.2
175.03905	4.2
176.00935	3.5
176.03398	8.4
176.37245	2.9
177.01826	19.7
178.99771	100.0
180.00206	3.8
181.01357	16.3
186.35976	3.7
190.01343	11.5
192.00476	3.3
192.02826	4.3
192.99762	4.2
193.01358	50.6
194.01755	3.2
195.02864	5.4
203.03392	5.4
205.01274	6.6
218.00957	7.4
220.02280	4.1
229.04980	2.9
232.02452	9.7
243.02881	3.2
248.32391	2.9
269.04416	4.9
273.03986	4.7
296.05600	7.0
313.03534	3.7
318.03693	3.6
340.04608	10.2
346.61267	3.4
349.33755	3.3
358.05652	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	357.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	4.7
57.03318	3.3
58.00467	2.2
59.00951	1.5
59.01251	30.3
62.13723	0.8
63.30714	0.8
69.92683	4.4
71.01255	42.0
72.99174	2.5
73.02824	16.0
75.00762	1.7
80.47201	0.8
83.01250	9.6
85.02824	25.2
85.99979	2.6
87.00740	2.8
89.02305	6.8
95.01256	3.5
99.00755	6.3
101.02323	37.6
111.00787	2.0
113.02329	14.3
119.03373	2.6
121.02832	8.4
122.03606	1.2
125.02325	1.9
130.08632	4.9
132.02853	0.9
135.04372	4.6
139.00276	1.0
143.03392	1.2
144.16512	1.0
149.02364	2.0
151.03752	1.1
153.01819	1.8
159.02908	3.1
161.04453	5.0
162.06822	1.0
167.08115	1.1
180.07840	47.9
181.08492	4.0
195.02898	1.1
195.10193	68.4
196.10463	4.2
249.16335	0.9
308.74557	0.9
340.18799	1.8
342.13315	1.3
357.15546	100.0
357.20758	3.7
358.15802	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	357.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87190	0.4
55.01752	4.8
59.01234	1.5
61.01382	0.4
61.60138	0.4
63.61110	0.3
69.59351	0.4
71.01244	0.9
71.37635	0.9
74.64560	0.4
83.01256	100.0
84.01587	1.8
85.02824	0.6
93.03320	1.6
109.02811	1.1
121.02838	13.4
122.03627	22.7
123.00780	0.8
123.03669	0.5
123.04424	7.8
124.01559	1.3
134.03607	0.4
135.04416	0.5
136.05185	4.3
137.02367	2.1
137.05981	14.5
138.06386	0.5
143.04939	0.4
146.03555	0.7
147.04419	7.7
149.06001	0.5
154.02605	0.9
159.04463	0.5
161.02393	1.0
161.05989	4.1
162.06754	2.2
168.04102	0.9
175.03888	0.5
175.07597	0.5
176.04707	0.6
191.07043	0.6
206.05751	0.5
209.08173	3.4
219.06647	0.5
221.08134	9.2
281.04178	0.6
295.13416	0.7
298.12128	1.2
313.11282	0.5
313.14398	2.5
342.11102	8.4
343.11417	0.8
354.67484	0.4
357.13419	79.5
358.13763	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	357.1348
Annotation	Negundin B
Peak:m/z	Relative Intensity
52.17189	1.1
59.01259	6.7
60.14305	1.0
71.01259	1.3
71.60537	1.1
71.60944	1.5
71.99510	1.1
85.02818	1.9
93.03411	1.2
97.06485	1.4
108.02061	22.2
109.02928	1.8
121.02865	3.2
123.04420	36.4
123.53639	1.2
125.02328	1.5
126.87051	1.2
132.66347	1.2
137.02344	2.0
141.43262	1.2
143.04929	1.8
145.02849	4.0
146.03650	2.2
147.04388	4.9
147.05473	1.2
148.05214	7.6
149.02357	4.5
149.05988	9.1
150.03177	7.0
150.06238	1.3
151.07510	1.9
158.03618	3.4
159.04462	15.0
160.05226	27.1
161.02367	2.9
161.05945	3.9
162.03145	4.8
164.04761	2.6
165.05530	2.9
173.06009	3.6
174.03156	9.6
175.07582	8.9
176.04716	5.4
176.07904	1.2
177.05496	83.1
178.06265	30.2
180.04199	1.7
187.03940	14.7
188.04691	19.3
189.05251	1.4
190.06374	1.2
191.07080	30.5
192.04248	2.5
192.07800	10.5
193.08524	2.6
194.05759	1.8
195.06577	5.4
203.07092	100.0
204.07458	7.8
206.05812	22.0
210.05260	9.4
219.06587	3.5
220.07382	5.5
221.08150	71.8
222.08501	3.1
224.06863	18.1
233.08171	2.4
237.07605	1.5
239.07108	1.4
251.06895	1.3
262.06357	1.3
263.07065	2.7
279.06796	2.6
280.07474	2.3
281.08194	3.8
291.06552	4.6
294.09204	1.4
295.09775	1.6
296.10428	2.2
297.07706	2.9
298.05011	1.6
299.12894	3.2
306.09048	1.5
309.07608	5.1
311.12921	2.8
313.07706	1.7
313.10764	7.8
315.18188	6.8
324.09927	3.5
327.12320	7.6
339.12375	30.7
340.12680	3.2
357.09506	2.0
357.13455	23.2
357.18549	2.1
357.19354	2.0
357.26129	1.5
358.13797	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	357.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	4.4
59.01252	1.2
63.64054	0.3
69.32373	1.2
69.32792	2.1
71.01248	1.0
83.01257	100.0
84.01570	1.0
84.02029	0.3
85.02825	0.7
93.03332	2.4
95.04920	0.5
106.36157	0.3
108.02052	0.8
109.02832	1.4
121.01524	0.5
121.01949	0.5
121.02843	18.2
122.03633	25.1
123.00752	1.7
123.04425	14.2
124.01575	0.9
124.04776	0.6
125.02321	0.4
129.03404	0.4
131.04988	0.5
133.06422	0.4
134.03609	0.4
135.04395	1.6
136.01559	5.3
136.05200	8.4
137.02364	3.9
137.05992	14.9
138.03094	0.6
138.06302	0.8
146.03627	0.9
147.04422	12.3
148.04811	0.6
149.05984	1.3
151.03918	5.4
154.02597	1.4
159.04471	1.7
160.05148	0.6
161.02336	0.8
161.06003	6.8
162.06783	3.0
163.03963	0.5
168.04158	1.6
173.06015	0.6
175.03935	0.9
175.07617	1.2
176.04692	0.5
177.05495	0.4
191.07072	1.5
204.04250	0.9
205.04994	1.0
206.05721	0.5
209.08131	7.0
210.08463	0.5
219.06541	0.8
221.08136	9.4
222.08507	0.5
235.09607	0.5
283.09784	1.2
297.11349	0.5
298.12106	2.1
313.14493	3.7
314.14740	0.5
315.18118	0.4
327.08600	0.4
342.11063	11.3
343.11353	0.8
357.13425	99.7
358.13736	10.6
358.18152	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.3
59.01252	0.3
59.14202	0.2
60.17087	0.2
69.03332	0.5
69.45352	0.4
69.45776	1.4
72.65286	0.2
84.02059	0.4
85.02810	0.4
89.19532	0.2
93.03339	1.8
95.01278	0.5
97.02775	0.2
108.02064	1.9
109.02816	0.9
121.02847	10.1
122.03671	2.9
123.00780	0.5
123.04420	0.3
124.01566	0.5
125.02216	0.2
127.96148	0.2
134.03659	0.9
135.04402	0.4
136.01561	81.6
137.02197	2.8
138.03085	0.2
145.06546	0.3
147.04362	0.4
149.02364	0.2
149.05975	0.5
151.03915	100.0
152.04251	3.9
154.02631	0.4
159.04466	0.9
160.05225	0.9
161.02330	0.5
162.03157	1.2
163.03922	1.6
164.04774	0.3
175.03926	0.6
175.07501	1.3
176.04689	0.6
177.05499	1.4
179.03381	0.5
187.03983	0.3
188.04669	0.3
189.05522	1.0
193.04987	0.2
203.07062	0.3
210.15088	0.3
238.18118	0.2
241.05060	0.4
265.21848	0.2
269.04648	0.3
270.20865	0.3
281.18671	0.4
296.10397	0.2
311.12930	0.8
314.08054	0.3
315.18134	0.4
342.06891	0.3
342.11090	4.8
343.11563	0.4
357.13431	14.6
358.13840	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	1.5
65.00185	1.3
69.03310	1.7
70.59858	4.2
71.01255	1.4
72.82772	1.1
81.03312	6.0
83.01243	3.2
85.06457	2.5
87.04391	3.3
93.03376	1.5
95.04897	10.2
97.02813	4.4
99.04366	1.5
108.02058	12.8
109.06474	5.3
111.04396	11.6
121.02844	1.8
123.04411	23.9
125.02334	19.7
127.07539	2.4
133.06453	1.0
137.02315	4.0
138.03123	2.2
146.03650	1.3
147.04413	2.1
148.05209	5.0
149.02347	2.6
149.06006	5.7
150.03120	5.0
150.06734	2.7
151.07558	31.2
152.07898	1.4
153.05453	5.2
158.03662	3.2
159.04405	10.3
160.05229	12.2
161.05984	1.7
162.03085	2.8
163.03891	1.4
163.07550	1.3
165.05510	2.0
165.09161	11.8
167.03409	12.3
169.08591	1.8
174.03195	5.6
175.07545	5.3
176.04688	3.9
177.05496	44.7
178.06248	15.6
180.04208	1.3
183.02815	1.4
187.03905	8.3
188.04688	10.1
189.05334	1.5
191.07054	18.8
192.04160	1.5
192.07835	6.9
193.08578	5.8
195.06557	99.7
196.06909	4.9
203.07065	64.7
204.07399	4.2
206.05786	12.3
207.06561	5.0
209.08035	2.9
210.05246	5.0
219.06523	2.8
220.07321	2.9
221.08130	42.8
221.10326	2.1
222.08540	2.6
224.06877	12.5
237.07639	100.0
238.07909	6.9
249.07716	3.7
263.07101	1.6
267.08707	24.9
269.08319	1.4
279.06458	1.7
280.07156	1.7
281.08130	3.5
291.06772	2.3
297.07559	4.6
306.09003	1.5
309.07767	5.9
309.10873	1.3
311.12933	1.3
312.10071	1.3
313.10574	2.8
315.18155	1.3
323.09094	1.6
324.09964	4.0
327.12372	10.4
339.12381	21.0
340.12662	2.4
357.12683	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	357.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32060	1.7
52.37803	1.5
55.01754	1.9
57.96637	1.4
58.82259	1.7
59.01252	55.9
71.01253	28.2
71.38644	3.5
72.99191	3.6
73.02813	2.5
79.32128	1.9
83.01266	3.0
85.02834	6.6
87.00723	1.5
89.02311	26.1
93.03310	1.5
95.01270	3.5
101.02328	23.9
113.02329	11.8
117.04456	2.0
119.03403	10.6
119.04880	1.8
121.02815	3.7
123.04362	2.6
133.03947	2.0
134.03656	1.6
135.04417	8.4
136.05180	6.4
145.03976	100.0
146.04335	2.5
147.05536	18.4
151.03934	5.4
151.07545	1.9
152.07042	1.9
153.01813	5.6
161.03479	2.3
162.03134	40.1
162.04243	2.6
163.03799	2.9
163.05092	3.2
165.05502	4.1
177.01927	2.1
177.05486	71.3
178.05849	2.3
195.04785	3.4
195.06563	60.9
196.06802	4.8
225.07697	3.5
299.13202	1.6
325.10406	57.3
326.10754	3.1
357.08582	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75376	1.9
59.01245	5.3
67.23955	2.3
71.57697	2.4
71.58097	3.2
81.89200	2.1
84.68385	2.0
108.02055	18.4
109.02830	3.0
113.01517	2.1
121.02862	5.3
123.04401	31.2
131.04929	3.8
135.04442	2.7
137.02342	3.0
138.03125	10.7
145.02834	2.2
147.04436	4.6
148.05206	7.2
149.02350	3.9
149.05971	7.6
150.03131	9.3
151.03886	4.7
153.05467	9.2
155.78816	2.2
158.03627	4.4
159.04469	14.0
160.05200	20.3
161.05948	3.5
162.03120	5.9
162.06789	2.3
163.04001	2.2
163.07564	2.4
165.05449	3.8
173.05779	2.3
174.03139	9.9
175.03870	3.9
175.07556	6.3
176.04764	3.0
177.05489	74.9
177.12492	2.4
178.06244	24.7
180.04164	2.7
183.02927	5.0
187.03906	12.8
188.04733	15.7
190.06273	6.0
191.07066	28.2
192.04138	2.8
192.07762	10.0
203.07065	98.6
204.07430	6.1
206.05734	15.2
209.06042	4.1
210.05310	7.1
219.06636	4.1
220.07341	4.9
221.06148	3.8
221.08128	75.8
222.05157	3.4
222.08540	4.8
224.06787	14.3
227.07123	5.2
228.07794	2.8
233.94037	2.1
237.05440	5.8
238.06316	4.1
239.07016	5.2
240.07808	3.1
255.06642	3.7
256.07462	5.7
259.06149	3.8
263.07068	6.0
265.05103	3.0
266.05835	3.6
267.06558	8.7
268.07397	10.4
269.07852	2.5
279.06757	3.3
281.08179	6.9
283.06775	3.1
283.09589	11.5
284.06924	5.0
291.06644	3.1
294.05423	3.3
295.06070	4.0
297.07684	12.3
297.16931	3.2
299.09293	6.8
309.07629	12.9
309.10898	2.8
312.06369	26.7
312.09833	3.8
313.07019	2.5
313.10724	6.0
315.18164	6.3
324.10043	13.8
327.08722	51.6
327.12354	16.4
328.09158	3.5
328.12820	2.4
339.12323	48.9
339.18539	2.6
340.12698	7.6
342.11078	65.7
343.11502	4.3
357.13434	100.0
358.13824	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	357.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	16.2
63.11546	0.6
70.34022	2.1
71.01234	2.0
73.02828	0.6
85.02807	1.5
89.02297	0.9
91.48801	0.5
101.02298	1.2
103.03936	0.5
108.02045	1.9
109.02792	0.6
119.04901	1.5
121.02816	1.9
123.04393	2.6
124.01543	0.9
133.06467	0.6
134.03661	1.1
135.04411	8.7
136.05209	10.2
145.03981	4.8
147.05519	0.9
149.63965	0.5
150.03149	0.5
151.03883	3.4
151.07524	3.7
153.01851	1.7
177.05486	0.6
195.06551	100.0
196.06895	5.5
250.52684	0.5
325.10526	2.5
357.11679	0.7
358.71103	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45913	2.4
59.01253	43.6
59.99027	2.3
64.19684	2.6
69.45928	25.0
71.01253	26.6
85.02795	4.4
87.80955	2.3
89.02318	18.2
98.19770	5.0
101.02332	14.4
113.02323	10.1
119.03370	6.0
123.00729	3.1
123.04350	3.9
130.08656	5.2
135.04420	3.1
136.05225	4.5
148.48511	2.8
151.03943	5.6
162.03114	68.9
163.03633	4.9
166.99220	2.8
177.05489	100.0
178.05815	6.3
195.06584	29.9
225.88745	2.9
273.09863	2.5
357.21268	4.6
384.11057	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	357.119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.7
57.63623	0.2
58.90627	0.2
59.01252	0.9
63.02258	0.2
65.00199	0.9
70.81431	0.4
70.81788	0.5
71.01285	0.2
81.03326	5.2
83.01263	1.6
85.06454	0.8
87.04386	0.7
95.04857	0.3
96.95837	0.2
107.01257	1.0
109.06478	3.0
111.04401	4.7
111.05134	0.4
122.03634	1.9
123.04423	0.4
123.07967	0.3
125.02338	7.1
126.02715	0.2
127.07553	0.5
135.04387	0.4
139.03813	0.3
149.02368	0.7
149.05965	0.4
151.00288	1.4
151.07552	30.1
152.07883	1.2
153.05513	0.4
173.78812	0.2
177.05493	0.9
179.03400	0.2
191.06993	0.2
195.06557	100.0
196.06909	5.7
219.06580	0.4
237.07675	1.0
315.18066	0.5
357.11038	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.5
70.88691	3.6
81.03318	10.5
83.01263	4.5
85.06457	3.9
87.04404	2.1
93.03325	2.5
95.04901	17.1
97.02848	5.7
99.04395	2.6
108.02053	7.3
109.06480	5.6
111.04396	11.0
123.04404	18.0
125.02332	21.9
137.02347	3.9
148.05186	3.7
149.02333	2.2
149.05977	4.6
150.03116	3.5
151.07552	35.4
153.05516	2.6
159.04405	6.7
160.05244	10.7
161.05925	3.0
162.03058	2.4
165.05475	2.0
165.09120	14.4
167.03389	23.5
173.05997	1.9
174.03117	2.9
175.03824	1.6
175.07549	4.0
176.04678	2.6
177.05482	37.4
178.06259	10.0
187.03928	6.8
188.04648	9.0
189.05360	1.8
191.07022	12.1
192.07817	5.8
193.08633	4.3
195.06558	100.0
196.06906	5.3
203.07088	35.8
203.75749	1.5
206.05885	8.5
207.06528	8.0
209.08147	3.1
210.05214	3.8
220.07278	2.3
221.08145	28.3
224.06848	5.9
237.07654	92.0
238.07979	6.1
249.07637	2.2
267.08765	18.8
268.08942	2.1
281.08139	2.4
291.06570	2.7
308.77933	1.9
309.07690	4.6
319.16605	1.8
324.09930	2.4
327.12363	5.4
332.03226	1.7
339.12341	11.8
347.65848	1.7
355.04315	1.7
357.12451	10.3
366.88754	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0617
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
54.15541	0.1
56.77060	0.1
59.01251	0.2
74.55379	0.2
77.03865	0.3
93.03305	0.2
121.02847	100.0
122.03170	3.2
165.01852	0.9
180.05739	1.6
181.06511	6.8
182.06866	0.3
183.07854	0.2
195.06569	0.3
197.06009	0.3
225.05530	6.4
226.05870	0.5
271.07080	0.2
313.07187	7.1
314.07416	0.7
327.05173	0.3
357.06143	25.5
358.06522	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	357.1192
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
57.03333	0.4
59.01238	1.2
60.55843	0.2
65.00206	0.7
68.68032	0.2
68.94096	0.2
69.03330	0.2
69.46342	2.0
70.46395	0.2
70.73169	0.2
71.01257	0.9
81.03334	4.4
83.01257	5.6
83.01704	0.4
85.06474	1.0
87.04418	0.8
93.03342	0.5
95.01299	0.2
95.04963	0.3
97.02865	0.6
98.20522	0.4
103.99756	0.2
107.01269	0.2
107.04954	0.3
107.95493	0.3
108.02107	0.3
109.06474	2.3
111.04398	4.8
112.04700	0.2
113.05975	0.5
121.02845	1.1
122.03600	1.4
123.04424	0.6
125.02331	4.4
127.07538	0.8
133.06494	1.0
136.05206	0.9
137.02393	0.3
137.06003	1.1
139.03912	0.3
146.03659	0.3
147.04375	0.4
149.02374	1.3
151.00296	0.9
151.07556	36.6
152.01018	0.5
152.07877	1.5
153.05481	0.4
161.06007	0.8
165.05484	0.8
167.25249	0.2
173.83760	0.2
175.00279	0.4
177.05490	1.6
178.06296	0.2
179.03499	0.3
179.07063	1.3
190.38527	0.2
191.07089	1.3
194.05812	0.3
195.06561	100.0
196.06903	5.8
201.05530	1.4
203.07118	0.5
206.05858	0.3
207.06555	1.0
208.07373	0.4
209.08145	3.0
210.08498	0.3
219.06573	24.6
220.06923	1.6
221.08157	1.3
237.07652	10.1
238.07884	0.6
249.07619	3.1
261.07693	0.4
297.09592	0.4
313.14529	0.3
339.10928	0.3
342.10959	0.7
357.12460	6.8
358.13412	0.7
363.04187	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70734	0.7
59.01250	0.7
64.03863	0.6
68.04280	0.6
71.49724	0.9
71.50066	1.1
77.98857	0.6
84.18343	0.6
85.02840	4.4
86.03179	1.8
89.61672	0.6
96.71749	0.6
107.03727	0.8
108.04436	83.3
109.04778	2.0
150.05518	100.0
151.05835	4.1
177.45869	0.8
191.01915	0.7
194.05380	1.1
195.05055	3.1
209.02969	2.2
210.03226	1.7
210.27588	0.7
216.35243	0.7
224.06458	1.3
291.39276	0.8
350.45621	0.7
352.28519	0.6
357.08093	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2489
Annotation	13,14-dihydro-PGF2alpha
Peak:m/z	Relative Intensity
51.37039	2.6
55.18011	2.8
57.03310	6.0
59.01225	3.3
61.28074	2.1
66.52813	2.2
71.57463	3.1
71.57909	3.7
77.06213	2.4
80.36267	2.1
85.02812	4.8
98.47392	2.2
102.45876	2.3
109.02845	2.4
121.18013	2.5
139.11194	48.2
141.12755	65.6
142.13124	2.8
149.21758	2.4
151.49045	2.2
169.12195	3.5
171.13841	51.9
200.14119	14.4
201.14772	4.4
229.18030	7.3
234.53540	3.0
311.25928	100.0
312.26331	6.7
328.76035	2.7
355.24884	64.1
356.25177	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	356.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	6.1
62.78296	1.7
63.02267	2.7
65.00194	8.2
67.01816	1.7
67.11080	1.6
67.84451	1.6
69.03331	1.8
71.01250	5.9
83.01267	5.7
85.02833	6.1
89.84716	2.2
95.01257	5.3
98.19725	2.9
99.00780	4.9
101.02363	2.6
105.19532	1.7
107.01289	6.3
109.02836	100.0
110.00008	7.4
111.00781	9.1
113.02286	4.1
120.00861	2.7
121.02842	6.2
121.15322	1.6
122.02369	1.7
123.00747	10.1
124.01582	2.8
125.02310	4.3
126.05516	3.5
133.02852	2.9
134.02357	2.0
135.00810	2.2
136.98705	3.6
137.02354	5.8
137.99551	2.5
139.00273	18.9
141.01892	2.5
145.02832	2.8
146.08139	4.8
147.00862	1.9
148.03967	2.2
149.02361	6.5
151.00278	14.6
153.00017	2.4
153.01834	6.5
161.02351	8.1
161.04526	2.7
162.01863	3.3
163.00301	5.1
163.03853	1.9
164.01057	4.9
164.98236	2.7
165.01802	3.1
165.33047	1.6
165.99004	10.3
166.99763	9.7
167.01587	1.9
169.01352	2.2
170.02412	2.2
171.04291	2.6
171.10201	1.9
175.00317	2.6
176.03482	5.4
177.01848	5.2
178.99825	17.3
181.01363	50.4
185.02271	2.1
186.01826	3.8
188.03441	4.2
189.01917	3.8
190.01279	2.6
193.01350	8.7
194.99310	7.7
198.01808	3.3
201.01903	2.3
201.36064	1.7
202.01405	6.8
203.03391	2.0
205.01419	3.1
206.99196	2.6
211.03882	4.3
212.03438	2.5
212.05128	19.7
214.01320	11.2
215.03487	3.6
216.02994	2.8
216.54678	1.8
218.00873	5.0
227.03580	2.3
227.07393	15.3
228.03093	1.9
229.36264	1.8
230.00948	3.2
238.05075	3.9
239.03499	4.2
242.02141	4.0
243.02969	6.7
252.03056	1.9
255.02901	4.3
257.04514	2.3
266.04620	3.5
267.02994	2.2
270.01572	3.1
270.04205	2.9
271.02551	11.8
283.02417	3.9
285.04028	5.2
287.02087	4.3
288.02539	2.7
294.04218	3.1
299.01981	7.8
301.03384	8.4
310.03485	4.3
311.01971	14.2
312.05188	3.0
316.02240	49.3
317.02777	6.7
328.04739	2.2
329.02829	10.4
338.03043	19.8
339.03287	1.9
356.04132	44.7
356.20828	4.2
357.04440	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	355.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13516	2.7
57.03333	7.0
59.01247	8.3
71.01269	4.6
71.04900	4.8
71.58955	3.9
80.60905	2.3
81.03369	6.5
85.02833	17.6
95.01297	3.3
95.04909	3.8
97.02821	3.0
107.04902	31.7
109.06467	5.9
110.03548	2.6
113.02339	6.1
117.13736	3.0
123.08018	5.7
125.02360	5.3
125.09605	16.3
127.11173	6.5
135.08061	3.4
141.09134	5.5
151.07550	39.8
155.10712	3.8
165.09210	3.2
168.07867	4.4
171.10184	100.0
172.10400	3.7
183.10194	54.5
191.01913	3.0
201.11296	30.3
213.11235	24.9
226.09491	2.6
227.12848	3.1
287.16663	4.0
305.17627	19.1
319.19189	4.3
337.20242	5.0
342.78595	2.6
355.11914	6.4
355.21487	20.6
355.25098	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	355.2278
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
50.68623	1.0
59.07912	1.2
63.05716	1.1
69.39418	1.1
69.69254	6.6
85.02824	3.6
95.20525	1.1
98.19821	2.0
107.04914	1.3
109.02804	3.0
111.00756	1.3
122.03615	10.7
127.07552	2.2
135.04417	32.0
136.01579	3.6
136.04712	1.0
147.08054	2.9
149.06017	1.3
149.09631	10.9
151.07529	4.6
154.02635	3.4
161.09624	10.7
163.07555	4.6
163.11195	64.4
164.08345	18.8
164.11537	4.3
165.09114	13.5
177.09120	80.3
178.09906	28.6
179.10693	88.1
180.11017	5.5
183.10205	2.2
191.10712	14.6
193.08652	12.8
255.14465	1.2
279.13873	2.0
280.11383	1.0
280.14758	4.2
298.15726	60.1
298.66846	1.3
299.16125	5.9
307.17065	2.0
313.21732	1.7
321.18643	1.5
337.18289	0.9
337.21710	55.0
338.22067	7.3
340.20419	100.0
341.20737	10.4
355.22769	100.0
356.23071	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21365	1.0
51.34309	1.1
54.19127	1.0
57.03303	1.5
57.08396	1.0
59.01249	100.0
63.77277	1.3
68.13276	1.1
68.73624	1.1
69.47002	9.1
70.33212	1.0
71.01255	10.6
73.02818	3.0
85.02834	5.0
88.02146	1.0
99.00742	2.3
101.02344	6.0
113.02351	4.8
118.03064	1.0
126.42591	1.0
130.08632	3.7
131.08929	1.4
133.06483	22.2
139.80412	1.1
149.80296	1.1
151.03790	1.1
161.04463	11.0
193.05060	3.9
311.05807	1.2
311.20752	1.8
355.19922	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	8.1
57.95853	4.6
59.01251	16.8
71.01219	6.9
71.15485	4.5
71.55744	8.1
80.11215	5.8
85.02821	21.6
107.04927	24.5
109.06470	8.5
113.02331	6.3
121.06491	4.6
123.08002	6.7
125.02323	12.4
125.09586	8.4
127.11227	7.5
151.07561	46.0
166.06154	4.8
168.07756	4.7
171.10184	100.0
183.01093	6.5
183.10208	44.9
191.01962	5.1
201.11261	26.4
208.98093	4.8
209.02977	6.3
213.11264	19.7
305.17554	14.0
346.04016	5.7
355.11957	7.8
355.21439	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1188
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
52.07095	0.7
70.06551	3.0
81.08832	0.7
85.02811	1.1
94.87239	0.9
96.95844	1.4
119.04929	7.0
119.91595	0.7
125.95362	0.8
131.04846	1.2
147.04411	15.1
148.05180	1.4
150.03072	1.4
161.06007	1.2
164.04686	1.5
165.05431	1.3
174.03098	0.9
175.03922	100.0
176.04701	50.3
176.06084	0.7
177.05089	1.7
188.04620	0.9
189.05501	7.5
189.64464	0.7
190.06276	29.5
191.06796	1.5
203.03415	0.9
204.04208	21.9
208.03705	18.8
216.04315	1.2
217.04961	12.7
218.05765	13.2
219.06563	50.2
220.06934	2.2
222.05286	31.9
223.05702	1.0
231.06520	1.4
235.07635	1.3
237.05426	1.4
239.07130	1.1
251.07169	1.3
259.64737	0.7
267.06622	3.7
267.09274	0.7
269.96722	0.7
274.44714	0.8
278.05774	0.9
279.06650	4.9
291.06696	0.8
294.08905	2.0
295.06104	6.8
296.06863	13.0
297.07425	1.3
307.06058	7.6
308.91400	0.7
310.08432	3.0
311.09238	15.8
311.70786	0.7
312.09811	2.3
322.08429	5.0
325.07144	1.1
325.10812	2.0
327.12347	3.9
337.10602	3.5
340.09543	2.3
355.11844	94.1
356.12225	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79911	1.6
55.34476	1.7
56.28345	1.6
57.03326	2.8
59.01249	7.9
64.44685	1.6
69.17216	1.5
71.01234	5.6
72.99173	3.3
73.02820	5.0
75.00738	3.0
85.02826	11.5
85.03282	1.7
87.00762	5.2
90.29735	1.6
98.19704	2.9
99.00735	4.1
101.02330	2.4
113.02341	2.3
113.99491	3.8
115.00255	7.2
121.02837	2.5
123.04415	1.9
123.70569	1.7
134.03654	20.4
135.04404	2.9
149.02377	4.9
149.05988	5.1
151.03914	3.1
164.04674	4.8
174.01617	86.0
175.02298	6.4
175.03900	2.8
178.02609	10.9
179.07028	3.8
191.01830	2.2
193.01471	4.5
193.03360	4.5
193.04973	34.0
209.03033	2.6
221.08174	3.4
223.06187	2.9
237.07704	3.3
242.37689	1.7
265.07120	12.1
275.95041	1.8
292.54828	2.0
295.08170	15.7
355.10333	100.0
356.10583	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	355.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83015	1.1
59.01247	6.4
60.87743	1.1
69.72418	6.0
71.01270	2.0
82.06077	1.0
85.02826	4.8
89.02304	2.2
89.42822	1.2
105.86761	1.2
113.02325	1.8
113.09394	1.2
114.40283	1.0
121.02845	2.1
132.02066	3.8
133.02821	1.8
134.03627	51.0
136.52559	1.1
137.02330	6.8
139.03940	1.7
149.02312	2.1
149.05997	14.8
151.03912	1.4
160.01570	21.7
175.03925	34.5
178.02635	30.2
179.03160	1.2
192.00679	1.2
193.04988	100.0
194.05307	5.6
209.02844	1.6
217.05016	2.8
223.06210	2.2
235.06279	1.5
268.27643	1.1
355.10321	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36139	0.6
57.03333	1.0
59.01254	2.2
63.76134	0.6
70.90517	2.0
71.01260	1.7
72.99202	1.1
75.00711	0.6
80.03745	0.6
80.97146	0.6
84.37048	0.6
85.02824	7.1
87.00746	1.4
93.03331	0.7
99.00780	1.7
106.04148	0.7
107.04935	0.8
110.10973	0.6
119.04977	1.1
121.02854	2.7
125.02354	2.1
133.02882	1.1
134.03645	100.0
135.03909	3.7
137.02382	3.5
139.03918	1.6
147.02939	0.7
147.04446	0.7
149.00897	3.7
149.02357	7.1
149.06001	30.3
150.06380	1.1
151.03923	1.8
159.02888	0.8
163.03970	1.4
164.04739	9.1
165.05653	0.6
174.01707	0.6
177.01852	1.0
178.02660	20.4
179.03233	1.2
179.07065	0.7
182.97211	0.8
185.04477	1.8
191.01909	1.7
191.03502	1.3
193.04996	99.0
194.05318	4.4
203.03419	0.6
209.02867	3.0
223.06087	10.3
228.19548	0.8
235.02409	1.9
235.06122	1.0
355.06613	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1036
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
55.01774	0.5
55.92476	0.4
57.03316	0.8
58.00471	0.5
59.01249	9.0
59.01533	0.5
71.01258	5.8
71.58384	0.5
72.65550	0.4
72.99203	1.1
73.02816	0.6
75.00765	0.6
83.01289	0.4
85.02822	3.8
87.00764	0.7
89.02322	4.1
89.51723	0.4
93.03365	0.8
95.01265	0.8
96.95929	0.5
99.00779	0.5
101.02303	2.0
113.02322	2.7
119.03387	1.3
119.04900	0.5
123.04410	0.4
123.05299	0.4
125.02319	0.4
132.02068	13.4
134.03630	9.9
135.04408	0.8
137.00052	0.5
137.02342	1.3
147.04453	0.5
149.02348	1.3
149.06024	1.8
151.03947	1.7
152.59497	0.4
156.11990	0.4
160.01572	68.0
161.01892	2.4
163.04013	0.9
164.04654	0.7
169.34946	0.4
174.01561	0.4
174.03175	0.8
175.03926	100.0
176.04280	5.3
177.05502	0.4
178.02602	0.5
179.01941	0.5
179.03412	0.6
182.16377	0.4
189.81064	0.4
191.07088	2.3
192.00583	0.4
193.01268	0.5
193.03482	1.0
193.04991	15.7
194.05347	0.5
197.80180	0.4
202.02673	1.3
205.03218	0.4
207.06583	0.7
209.03009	0.9
217.05026	5.9
221.08192	0.4
223.06068	1.3
235.06180	2.7
265.07190	0.8
292.14499	0.4
295.08331	2.5
337.07883	0.6
355.06699	0.7
355.10355	5.0
360.17725	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.4
57.03327	14.3
59.01249	10.0
69.87659	6.7
71.01248	5.1
72.99189	2.0
73.02795	1.0
79.23494	0.9
83.01316	1.0
84.02027	1.3
84.43177	1.0
85.02824	100.0
86.03151	2.3
87.00773	4.1
89.02334	2.5
90.14028	1.1
101.02370	1.4
103.00273	3.2
111.00790	1.2
112.98680	2.9
119.04916	3.0
121.02811	1.4
129.01852	5.4
133.01312	2.5
147.02899	7.6
147.04276	1.2
149.02321	10.6
163.03954	2.7
164.04721	9.9
165.38914	1.0
191.01897	20.6
209.02969	35.3
223.06076	17.4
359.11771	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.7
59.01252	10.1
60.33689	0.6
69.46207	3.1
69.46635	3.9
71.01244	1.8
72.99183	1.5
75.29565	0.8
79.85604	0.7
84.99179	1.4
85.02824	17.5
86.03184	1.0
87.00758	12.7
93.03328	1.0
103.00233	4.2
103.45522	0.8
104.48557	0.8
108.04436	8.0
112.98685	13.5
117.03368	0.9
119.04891	1.9
121.02849	10.5
121.90900	0.8
129.01807	1.8
132.02092	1.2
134.03654	5.9
137.02336	2.4
147.02869	1.1
147.04399	3.6
149.02357	63.8
149.05933	1.4
150.02783	1.9
150.05516	7.5
152.00967	1.0
163.03929	2.7
164.04716	48.8
165.01854	0.8
165.05045	2.2
178.02740	2.0
179.07034	4.2
191.01976	4.6
192.00537	1.1
193.01366	15.8
193.03072	1.5
193.04999	7.4
208.03667	4.1
209.02997	11.5
223.06088	100.0
224.06413	5.9
281.99811	0.9
282.85950	0.8
355.06635	3.9
355.10562	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0824
Annotation	Fridamycin E
Peak:m/z	Relative Intensity
57.03315	1.0
57.30790	0.9
71.01230	1.6
83.01292	1.0
85.02801	4.3
93.99225	0.9
97.06464	1.2
119.04916	19.6
120.05244	0.9
121.02842	96.1
122.03185	3.1
125.02339	2.6
162.03160	1.9
163.03935	12.6
181.06459	3.3
194.02081	1.9
199.13354	6.9
211.16975	1.5
223.07491	1.0
225.05615	1.9
229.21408	1.3
239.16443	6.2
257.17535	2.2
311.09235	100.0
312.09518	8.7
313.01196	1.0
319.22641	1.0
355.08221	36.2
355.15445	1.9
355.24872	33.0
356.08603	3.4
356.25244	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0881
Annotation	GlcAbeta1-6Galbeta
Peak:m/z	Relative Intensity
50.30840	1.7
55.01750	3.5
57.03323	8.2
57.03556	1.8
59.01250	27.3
67.01752	3.7
68.99652	1.8
69.03316	5.0
71.01250	51.2
71.57689	2.4
71.58044	2.8
72.99182	70.8
73.02820	48.7
75.00751	12.2
83.01242	6.6
85.02824	70.8
87.00734	10.9
89.02314	8.4
95.01241	14.7
96.95881	2.6
97.02799	1.7
98.08846	1.9
99.00755	12.3
99.61886	1.9
101.02326	21.5
103.00234	4.7
103.03859	4.2
113.02328	100.0
114.02650	2.3
115.00238	10.3
117.01778	2.7
118.25924	1.6
126.98760	3.6
129.01823	24.3
131.03397	43.5
157.01324	19.4
175.00970	2.8
175.02400	54.0
176.02748	1.7
191.18015	1.7
193.03452	21.3
195.04991	5.5
195.31801	1.8
226.98833	2.7
235.04561	10.2
265.05606	6.4
268.99905	6.8
295.06604	6.4
301.82019	1.6
337.07831	4.5
355.08771	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	355.067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11568	3.1
54.47496	2.7
55.02549	3.0
57.03330	14.7
59.01247	10.7
65.18407	2.5
67.07455	3.0
70.96701	8.5
71.01261	10.0
72.99170	3.1
75.00732	3.3
78.41028	2.4
85.02824	100.0
86.03200	2.9
87.00703	3.1
102.51601	2.4
112.98614	3.1
119.04941	6.0
121.02835	5.5
129.01840	7.3
134.03625	7.5
147.02931	4.9
149.02322	22.0
155.30963	2.8
163.03922	4.7
164.04695	14.4
167.17255	2.6
191.01953	15.4
193.04904	3.3
209.02982	27.1
223.06023	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	355.067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.4
55.39000	0.5
57.03329	16.2
59.01253	12.7
69.44965	1.1
69.45375	4.2
71.01259	8.1
72.99181	3.3
73.02811	1.5
75.00739	2.0
83.01267	2.2
84.02029	2.8
85.02827	100.0
86.03165	2.0
87.00757	4.1
89.02314	2.2
92.30868	0.6
92.65337	0.6
98.19849	1.1
99.00710	1.0
101.02326	2.2
103.00256	2.5
103.03919	0.8
111.00755	1.0
112.98677	2.9
113.02367	3.0
115.00236	1.0
119.04923	4.0
121.02860	4.0
123.83051	0.6
129.01831	8.3
131.03458	0.9
133.01320	1.5
147.02892	8.2
147.04385	1.5
149.02359	18.1
150.02690	0.9
159.86771	0.5
161.04428	0.9
163.02609	0.9
163.03911	5.2
164.04704	11.1
165.54013	0.6
175.02365	2.1
179.07104	1.1
189.91966	0.7
191.01904	19.1
192.02246	0.8
193.01379	1.0
193.03433	0.9
193.07140	1.1
208.03665	1.1
209.00998	1.2
209.02977	25.2
214.13690	0.7
223.06078	23.6
224.06470	1.0
280.87872	0.6
355.06689	0.8
355.12344	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
67.58758	0.6
69.46937	5.9
71.41447	0.7
96.95873	1.8
97.14569	0.7
99.92471	3.9
110.68053	0.7
146.24129	0.6
147.20332	0.6
148.75005	0.7
157.68216	0.6
163.89027	0.6
183.01180	1.7
191.05510	2.4
197.02777	0.7
197.19144	0.9
211.04282	1.2
223.20558	3.1
225.22191	47.9
226.22461	3.8
232.18906	0.7
246.88672	0.7
253.21767	1.6
254.71834	0.7
258.35016	0.8
271.22778	100.0
272.23132	9.4
353.21783	4.8
353.30463	1.4
354.14856	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	354.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	1.1
65.94894	0.7
70.96891	1.2
70.97237	0.9
77.26811	0.6
79.62584	0.5
81.03310	0.7
82.06471	1.0
85.02807	1.1
97.00305	4.3
98.01105	1.9
99.04416	0.6
101.05910	0.5
109.11090	0.5
115.08668	2.8
116.07062	100.0
117.07413	3.1
125.02431	0.9
125.03448	0.6
125.05959	0.7
126.05503	3.2
141.06598	41.9
142.05013	12.9
142.06827	0.7
154.07375	1.0
155.08134	0.7
165.09119	4.0
183.14998	1.3
185.16507	3.5
192.07695	0.7
193.13560	0.7
194.11800	2.4
195.15051	0.9
206.09357	0.9
209.08119	12.3
211.14471	7.2
229.15508	2.2
233.08247	1.8
236.13927	1.5
249.14919	0.7
249.19855	0.7
251.09256	1.1
254.15045	4.3
267.15933	4.0
292.20355	1.6
293.18610	0.9
310.21384	4.2
354.20331	89.6
355.13937	1.1
355.20645	8.0
376.71915	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1866
Annotation	Kopsinoline
Peak:m/z	Relative Intensity
53.86107	1.7
59.01250	6.5
63.02108	1.8
67.58418	2.1
71.07765	5.4
72.68607	2.2
93.03414	1.9
99.90638	2.0
113.09687	2.2
179.03453	3.0
179.30646	2.2
191.05528	23.5
195.13846	13.5
211.60608	2.3
215.71687	2.0
234.06956	2.1
242.80692	2.1
277.21646	11.2
295.22800	64.9
296.23196	6.4
313.85245	2.0
314.07779	2.4
317.21011	5.0
353.18634	100.0
354.18863	8.4
359.00131	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41071	1.3
55.56755	1.3
55.74350	1.5
59.01252	4.1
64.03519	1.4
68.16359	1.4
71.13690	2.1
71.14005	1.5
85.02837	2.5
91.36795	1.7
117.36203	1.6
118.08212	1.6
121.06200	1.5
124.91597	1.3
133.97208	1.4
171.10187	15.3
171.29132	1.7
179.03490	2.4
191.05545	34.3
195.13802	1.6
235.59116	1.8
277.21759	20.5
278.22134	2.2
295.22781	37.5
295.26007	2.7
296.23407	3.3
317.21143	2.0
353.18600	100.0
354.18872	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	353.2121
Annotation	Guayulin B
Peak:m/z	Relative Intensity
55.39478	0.4
59.01254	0.6
69.23940	0.5
85.02835	0.7
96.95901	1.3
120.11832	0.5
135.04387	0.7
161.06033	0.5
163.11201	93.7
164.11533	4.5
177.09132	69.8
178.09485	4.6
179.03548	0.9
190.09869	0.5
191.05547	7.2
222.09036	0.6
229.31097	0.7
326.22247	0.5
353.21207	100.0
354.21548	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	353.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71441	1.2
59.01247	100.0
67.63896	1.3
70.86121	1.8
71.01260	10.4
88.03935	1.5
95.81265	1.4
96.21362	1.6
117.05473	3.9
131.04890	3.9
149.05983	3.0
153.01810	1.4
171.06552	2.4
176.01102	1.8
190.02663	3.6
191.03484	3.8
191.05505	3.7
225.50339	1.5
273.03867	1.7
317.03146	2.7
353.08725	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	353.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
59.63055	0.8
60.01609	0.9
65.61241	0.7
69.03303	0.9
70.61961	0.7
71.01247	7.3
71.22809	2.0
73.02819	14.0
85.02855	1.6
87.00807	1.2
89.02334	1.1
93.03332	0.7
101.02299	0.9
103.03860	4.3
110.40273	0.8
111.00787	0.9
131.03401	37.3
132.02225	0.8
132.03748	0.8
133.02882	3.3
134.03615	1.0
135.04430	22.6
135.05435	1.4
152.48357	0.8
161.02354	11.0
173.02412	0.8
179.03426	12.1
180.62811	0.8
182.44391	0.7
191.05544	57.6
192.05939	2.4
207.97005	0.8
293.06912	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94579	2.8
57.48553	2.8
59.01252	52.2
69.03345	7.1
69.45654	29.9
71.01258	25.9
73.51031	2.9
81.03352	3.0
81.58554	3.0
85.02821	9.3
98.20597	7.1
99.00763	74.0
101.02338	3.9
108.02048	7.2
109.02830	6.5
111.00816	7.2
113.02305	5.1
119.04911	3.5
121.00020	3.3
123.00752	4.5
123.04423	5.8
124.01567	3.5
124.33214	3.7
125.02344	8.6
127.00234	8.2
131.03383	9.9
133.02908	5.1
134.03644	19.0
135.04420	16.3
137.02319	6.7
145.02843	6.6
146.03629	5.6
147.04462	17.1
148.01572	10.8
148.05211	22.8
149.05974	13.7
151.00272	5.2
153.01849	6.5
158.03693	7.2
159.03053	5.7
159.04434	21.2
160.01596	5.1
160.05235	35.6
161.02336	27.5
161.05956	13.1
162.03154	58.2
162.06799	8.5
163.03949	20.8
163.07562	5.2
164.04666	9.8
165.05359	4.3
171.04439	2.9
172.05203	11.7
173.02405	3.7
173.06000	59.5
174.03131	11.5
174.06592	9.6
175.03914	24.3
175.07568	9.7
176.04729	15.3
177.01826	5.4
177.05499	100.0
178.06175	13.3
178.99820	4.2
179.03410	7.8
179.07108	4.0
184.05214	19.1
185.05981	11.0
187.03946	23.7
187.07559	3.8
188.04758	53.5
189.05544	15.8
190.02654	27.4
190.06288	20.2
191.03473	8.1
191.05499	18.3
191.07056	12.3
192.04262	4.5
193.05110	4.3
193.08672	6.3
194.02200	8.3
199.07713	5.5
201.05511	11.5
202.06339	30.7
203.03511	5.5
203.07077	21.7
204.04254	30.0
205.05005	47.4
205.08626	9.1
207.06520	9.6
215.03481	6.2
216.04170	9.0
217.05223	3.6
217.08658	93.1
218.02126	7.6
218.08936	5.6
219.03214	17.7
219.06584	87.8
220.03651	4.1
220.06845	6.0
221.08167	40.7
229.05051	5.0
231.06584	31.5
233.04500	25.5
235.06119	33.4
247.06107	4.5
249.07671	43.8
250.08075	4.2
251.05617	53.4
261.07620	9.6
265.07187	7.0
272.10880	3.3
291.08804	3.4
293.06714	55.6
294.07175	4.7
309.09827	7.8
309.13297	3.7
317.02963	11.8
321.81155	3.5
353.08734	58.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85248	0.6
57.03324	1.5
59.01253	100.0
60.01598	1.1
63.02280	1.1
65.00185	1.0
69.03343	0.8
71.01255	5.1
71.39533	1.7
73.02823	13.5
83.01273	1.6
85.02809	3.2
86.94910	0.6
93.03372	0.9
99.00780	1.5
101.02345	1.6
103.03881	4.7
107.01299	1.3
107.04890	0.9
109.02847	3.2
111.00784	1.2
113.02348	1.0
125.02350	2.8
131.03400	46.5
132.03778	1.1
133.02850	3.4
134.03650	1.0
135.04420	27.1
135.05428	1.4
137.02374	1.6
149.04523	1.0
151.00291	4.4
153.01884	5.2
160.05167	1.0
161.02353	10.9
162.03180	1.3
163.00352	0.9
165.01898	2.1
167.03470	1.3
169.01392	1.3
173.05971	1.6
175.03957	2.2
177.01935	0.8
177.05516	3.1
178.99850	5.3
179.03427	18.0
179.04922	1.2
180.03770	1.1
181.01389	4.8
182.32680	0.6
188.04720	1.2
190.02731	1.0
191.01941	2.4
191.03688	3.6
191.05542	75.6
192.05923	2.6
195.02954	1.5
203.03497	0.9
205.05075	1.0
208.11198	0.7
217.08850	2.2
219.06630	2.1
227.03511	0.8
245.04515	1.1
249.07726	1.1
251.05696	0.8
263.05640	0.7
273.04181	2.7
284.10822	0.7
293.06757	1.3
307.54449	0.8
317.03040	10.8
318.03287	0.7
353.05286	0.9
353.08978	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0876
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
59.01247	1.6
71.01247	2.0
85.02824	9.4
87.00753	1.4
93.03340	3.3
94.47804	0.7
95.01255	1.2
98.05889	0.9
98.19769	2.1
109.02837	1.5
111.00778	1.9
111.04370	1.2
120.22169	0.7
123.00782	1.6
125.02328	5.3
127.03876	1.8
133.02820	1.3
135.04436	2.7
139.00266	3.7
140.84564	0.8
141.01897	0.8
153.01822	2.3
154.99702	1.0
161.02359	2.4
165.05522	1.5
166.99767	3.8
169.01329	7.2
173.04463	3.1
179.03391	2.1
185.00819	2.8
191.05536	100.0
192.05896	3.0
244.27176	0.9
353.15805	1.0
357.84259	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0512
Annotation	2-Caffeoylisocitrate
Peak:m/z	Relative Intensity
57.03308	9.3
59.01249	100.0
71.01252	7.8
71.58890	3.2
72.99182	1.7
73.02820	9.7
84.02043	4.3
84.57858	1.5
85.02822	97.1
85.93693	1.6
103.03867	3.1
129.01845	4.9
131.03395	36.8
133.02847	8.7
134.03636	1.6
135.04420	37.6
147.02892	16.3
161.02368	30.1
173.00870	2.8
179.03427	19.5
180.03856	3.0
191.01888	65.0
191.05527	70.3
192.05847	2.1
247.06235	2.2
300.82739	1.7
361.97751	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	5.0
58.77966	1.2
61.61930	1.3
63.02261	6.0
65.00191	12.5
65.03822	1.4
67.01749	2.2
68.99689	2.4
69.68237	2.2
69.68646	6.3
71.01244	1.9
81.03335	4.5
83.01260	16.3
83.04903	1.8
85.02827	3.2
87.73798	1.0
91.01809	1.4
93.03332	6.1
95.01243	5.5
95.98487	1.0
96.24586	1.0
96.99174	1.8
99.00761	7.0
107.01273	17.8
107.04901	1.1
109.02837	33.7
111.00766	4.7
111.04366	1.2
113.02341	2.2
119.04895	1.2
121.02858	2.2
123.00780	3.4
123.04418	5.5
124.01543	2.8
125.02340	34.6
127.03896	2.6
131.04898	1.7
133.02841	2.1
133.06511	1.7
135.00804	3.5
135.04431	5.2
137.02338	17.3
138.02702	1.3
139.00301	5.5
141.01837	17.3
143.04932	2.0
145.02827	1.5
147.00809	1.5
149.02315	1.3
151.00264	49.1
151.03909	5.0
152.01007	4.2
153.01842	45.1
154.02225	2.4
157.06477	2.3
159.04411	3.4
161.02325	2.4
163.00273	6.9
163.03914	2.7
164.00975	2.2
165.01840	20.3
166.02173	1.2
167.03433	10.9
169.01390	7.7
172.16631	1.1
173.06024	2.4
175.00079	1.2
175.03899	11.4
176.04369	1.2
177.01923	6.3
177.05464	1.9
178.99783	34.4
179.01302	2.4
179.63878	1.3
180.00119	1.3
181.01337	34.0
182.01855	1.8
183.02945	2.1
183.04465	2.0
185.02339	1.3
187.04013	1.6
189.01855	2.2
189.05556	2.0
190.02606	1.2
190.99867	1.3
191.03392	3.5
193.01337	7.9
195.02916	15.9
197.00854	2.6
199.03886	2.8
201.05530	4.6
201.49846	1.0
202.02727	1.3
203.03419	5.2
205.04971	3.0
207.02747	1.4
211.02390	4.6
211.04097	1.3
215.03438	1.7
217.05048	4.2
219.02968	2.8
219.06638	3.2
225.12436	1.2
227.03452	4.8
229.05029	4.7
230.02205	2.7
231.02907	7.3
243.02968	1.9
245.04547	11.1
255.02992	4.0
261.04172	2.3
263.05704	2.4
271.02481	2.9
273.04056	26.6
289.03851	1.4
291.05026	6.1
299.01886	2.7
317.02994	100.0
318.03339	7.9
335.04181	11.0
353.05051	14.3
359.43616	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	2.0
69.88517	0.6
71.57977	1.1
78.95777	0.9
79.92035	0.8
79.95603	11.2
95.95106	6.6
96.95891	100.0
98.20245	1.0
102.97012	0.7
129.94308	0.7
133.19618	0.8
138.97038	0.9
147.48759	0.8
152.00174	5.2
159.40718	0.8
169.04506	0.9
191.05542	3.3
194.95541	1.1
226.88260	0.8
308.18915	3.9
318.59842	0.9
352.21606	97.2
353.17874	1.6
353.21909	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57220	2.4
57.03326	11.1
59.01252	100.0
60.40409	2.3
63.02283	7.5
63.79962	2.5
65.00195	14.1
67.09920	2.5
68.64393	3.3
68.99685	2.7
71.01264	10.0
71.59419	4.9
73.02818	17.1
81.03351	6.6
83.01257	23.0
83.04897	4.3
85.02838	18.4
93.03338	8.9
95.01273	7.9
99.00769	9.1
100.29952	2.5
102.89479	2.6
103.03931	3.1
107.01276	20.2
107.04894	3.4
109.02837	40.6
111.00768	4.8
111.04397	3.1
113.02340	3.4
123.00815	6.1
123.04423	10.4
125.02341	46.3
131.03404	39.7
133.02849	7.7
134.03633	4.9
135.00829	4.9
135.04420	28.0
137.02356	18.3
139.00267	7.0
141.01837	11.0
141.42548	2.9
149.02475	2.9
151.00288	63.1
151.03920	8.8
152.01085	3.9
153.01839	51.5
159.04417	3.2
161.02365	21.1
161.05824	3.2
163.00282	7.6
165.01854	26.9
167.03418	14.7
169.01340	8.0
171.04468	3.1
175.03963	15.8
177.01851	6.9
177.05579	3.0
178.99809	32.3
179.03448	15.1
181.01358	30.5
183.31581	2.9
187.03957	4.7
190.02708	2.9
191.01901	6.6
191.03600	5.1
191.05540	44.9
193.01289	3.9
195.02919	16.1
201.05641	3.8
203.03470	8.1
207.03023	3.2
211.02336	3.1
219.06554	3.6
227.03506	7.5
229.04942	3.7
230.02194	3.9
231.03027	7.7
243.02933	4.2
245.04466	9.5
255.03085	4.4
263.05652	3.3
273.04080	24.6
291.05289	4.4
302.68210	2.4
317.03036	72.4
318.03345	6.5
335.04123	5.7
353.05121	6.8
372.43457	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18386	1.2
59.01256	6.0
64.27084	1.3
69.76087	5.0
71.01256	27.8
115.00261	45.4
131.04874	1.5
146.04836	1.4
164.04689	2.9
166.41087	1.2
176.04697	1.8
177.05498	1.6
179.07056	3.5
191.03429	9.0
191.05556	1.2
191.07182	1.8
201.04251	4.5
205.03735	2.3
206.05737	2.6
216.06577	7.7
220.06137	2.6
220.09732	2.3
221.08154	3.2
231.08990	2.5
233.73268	1.1
234.07726	1.7
236.09242	100.0
237.07629	37.2
237.09656	4.2
238.04787	2.2
238.08005	2.5
246.11349	2.2
248.09302	1.3
264.12436	4.1
290.10297	14.6
308.11392	90.0
309.11661	8.0
352.10376	64.3
353.10632	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	351.2539
Annotation	Grandilobatin A
Peak:m/z	Relative Intensity
59.01307	1.3
60.69496	0.4
67.11273	0.4
69.88192	0.4
71.25508	0.4
85.01805	0.4
123.04495	1.3
137.06068	1.8
162.10469	0.8
165.09149	2.6
213.14973	0.6
217.15968	0.6
235.17235	0.5
238.19034	0.6
245.19168	1.9
289.25281	2.7
307.26437	0.9
333.24332	100.0
334.24670	11.6
351.21078	1.0
351.25354	16.4
352.25616	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74549	2.7
59.01262	17.0
60.01563	2.4
69.79852	7.5
69.80263	8.0
71.01255	49.4
71.01654	3.3
71.92945	2.6
81.21169	2.1
93.03323	2.2
98.20509	5.0
110.93922	2.3
115.00264	82.1
116.91982	3.0
153.05496	3.3
176.01024	4.1
179.07047	8.9
191.03461	21.0
191.07108	3.5
192.02948	25.9
201.04218	5.1
203.23448	2.1
205.05090	2.9
206.06094	2.6
207.05293	38.2
208.00169	2.3
208.05533	2.5
211.56378	2.4
216.06645	8.1
220.06137	2.7
220.09816	2.9
221.08073	6.4
222.07666	57.8
223.07985	4.8
226.27426	2.6
234.07672	8.1
236.09258	99.5
237.07593	29.8
237.09612	4.2
238.04886	2.5
246.11325	4.6
248.09206	5.5
252.98657	2.2
264.12424	10.0
264.15021	2.6
276.08722	4.5
290.10361	15.4
293.09122	6.2
294.09613	3.5
308.11401	79.2
309.11719	9.4
318.69748	2.3
352.10379	100.0
353.10730	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	351.1702
Annotation	Vindolinine N-oxide
Peak:m/z	Relative Intensity
51.74826	2.6
56.58852	2.2
59.01257	10.9
61.96191	2.0
71.58257	2.2
71.58672	3.5
77.34731	2.0
91.32131	2.1
121.10145	7.7
127.11160	2.4
171.10170	21.2
217.07956	2.6
256.07877	2.4
261.82391	2.4
275.20166	22.2
276.20465	4.3
293.21158	15.8
333.24249	3.2
351.17084	100.0
352.17447	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	351.166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91565	2.6
57.86315	2.7
59.01250	100.0
71.00768	3.9
71.01149	8.5
97.61598	2.6
106.29124	3.2
119.90514	3.1
152.39194	3.2
155.74426	3.0
166.99779	7.2
169.59033	2.7
183.02959	6.3
328.34137	3.8
364.99680	3.1
373.54840	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	351.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42881	1.7
53.88663	1.2
55.29039	1.2
59.01251	100.0
66.68330	1.2
70.00086	7.2
71.01245	2.3
71.32606	1.3
85.02795	1.6
87.93437	1.3
93.03304	1.5
94.64002	1.4
95.01299	1.4
107.01234	1.3
109.02824	2.3
115.00250	5.4
115.91934	3.1
116.92722	2.4
125.02312	4.2
132.13913	1.4
133.71309	1.3
135.00696	1.5
146.49727	1.7
151.00264	3.5
153.01843	1.5
163.00262	9.7
163.04089	1.4
165.01836	1.3
178.99767	2.2
181.01212	1.5
191.03389	1.7
192.02942	2.4
207.05231	3.2
209.00896	7.3
220.41342	1.3
222.07677	4.4
236.09248	7.1
237.07713	1.6
308.11453	7.4
352.10406	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	351.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.8
57.03299	0.7
58.00468	1.5
59.01250	100.0
60.01572	1.2
66.67242	0.5
70.72828	2.2
71.01254	27.6
72.99188	2.7
83.01282	1.0
85.02828	4.6
87.00724	1.0
89.02319	31.5
95.01278	1.8
97.02930	0.6
99.00816	0.7
101.02332	20.6
108.04441	1.1
113.02332	13.2
119.03399	16.8
121.02847	1.6
131.03400	2.2
131.49559	0.7
132.00285	0.6
138.05504	1.4
142.31850	0.7
143.03418	2.9
149.04474	2.2
153.07991	1.1
153.09137	10.4
161.04419	2.0
166.05005	1.3
167.05702	0.8
168.06664	1.1
170.08585	0.6
171.10193	12.5
177.05118	0.6
179.05553	5.5
208.96928	0.6
235.08498	1.5
249.10059	0.6
253.08934	0.6
289.11871	1.5
307.12952	4.1
336.15707	0.9
351.12152	2.4
351.16571	51.3
352.16882	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	351.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	4.7
61.98687	1.7
71.01260	9.2
71.57878	1.9
71.58321	1.8
72.55498	1.4
72.55908	1.3
74.96077	5.6
75.82516	1.3
79.28400	1.5
96.95891	5.7
128.97151	4.0
156.19614	1.4
177.09116	6.4
186.95523	2.6
192.11531	7.2
192.95821	4.1
205.12268	2.9
218.09621	1.7
220.14647	60.8
220.16794	3.1
221.15413	100.0
222.15793	6.3
236.10515	83.6
237.10939	3.9
275.16589	6.9
278.10562	6.1
279.11353	3.0
293.17578	18.2
294.05969	1.9
294.17993	1.7
333.12427	5.0
351.13483	50.4
351.18137	4.5
352.13803	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	351.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.8
57.03313	2.0
58.00490	0.6
59.01252	40.8
59.29189	0.7
68.06599	0.7
68.99671	1.3
71.01251	14.0
71.59730	1.1
72.99178	3.5
73.02822	1.3
75.00748	12.3
83.01240	0.9
85.02826	13.8
87.00748	6.3
89.02321	6.8
92.04993	0.6
93.03374	1.1
95.01271	4.2
99.00761	7.9
101.02327	2.3
101.05965	100.0
102.06318	3.4
108.04402	0.7
111.00753	1.2
113.02335	18.6
114.84033	0.6
115.00257	1.9
117.01828	2.3
119.03389	1.5
122.05980	1.5
129.01808	1.3
136.03918	0.7
138.05504	0.7
139.00276	0.9
168.06612	1.0
171.10196	0.9
175.02394	2.6
178.25746	0.7
179.05519	0.9
189.11249	1.8
195.67639	0.7
203.12784	0.7
212.05624	3.1
231.05116	2.7
241.23296	0.7
249.06137	16.1
250.06601	0.9
291.11044	1.0
307.12967	2.3
333.11859	2.2
351.12955	46.0
351.16556	3.1
352.13293	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	351.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70472	9.6
57.03315	20.0
57.09575	9.5
65.00208	20.3
66.91364	10.3
69.03326	23.4
69.38971	10.5
69.74036	54.4
69.74441	27.5
71.01219	14.4
74.44556	10.4
81.03338	23.7
83.01278	14.4
93.37569	11.0
95.01246	21.3
95.09303	13.2
97.02769	13.5
98.20586	11.5
99.00750	83.6
107.01250	12.3
109.02832	53.6
109.99970	12.9
111.00777	100.0
120.68285	12.1
121.02833	15.3
123.00782	54.8
125.02360	96.1
126.51981	12.0
135.39072	12.7
136.17175	10.4
137.02319	45.0
139.00256	97.2
139.03897	23.0
141.01825	92.8
149.02374	15.9
151.00288	51.0
151.03857	11.6
153.01849	98.3
154.98727	12.1
154.99741	72.3
157.01361	28.1
161.02304	20.7
163.00204	16.0
165.01791	44.2
166.99744	54.9
167.03424	43.5
168.00522	15.3
169.01321	26.3
175.03893	16.3
177.01874	40.5
178.99844	53.2
179.03458	14.6
181.01360	34.1
181.36226	11.9
182.99466	13.6
185.00809	14.0
189.01947	16.1
191.03439	28.1
193.01341	71.5
194.99297	36.2
197.00844	19.0
199.04152	16.9
203.03456	12.9
205.01382	21.0
209.00894	63.0
210.98972	13.5
215.03448	24.3
217.04871	13.6
233.01038	14.9
243.03006	28.2
245.04523	18.6
247.02498	27.7
258.85199	13.8
261.04007	18.8
271.02509	27.3
289.03610	16.1
315.01550	26.9
333.02570	51.3
351.03656	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	350.27
Annotation	Melophlin E
Peak:m/z	Relative Intensity
52.09200	0.4
59.01227	0.5
68.42056	0.4
69.03972	0.4
71.21709	1.1
79.95626	0.5
85.28048	0.5
85.70704	0.5
86.32215	0.5
88.03916	100.0
89.04257	1.3
163.60829	0.6
221.00446	0.4
280.81085	0.6
341.94751	0.5
350.26996	32.6
351.27261	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50975	1.3
59.01236	4.3
67.01758	4.2
67.15257	1.1
71.01235	1.2
72.99180	2.9
83.01263	1.8
92.83788	1.1
94.18932	1.2
95.01263	7.2
97.02821	2.8
98.19769	3.0
111.00760	29.9
123.00769	12.2
136.98677	2.1
139.00270	42.9
140.00995	4.3
153.01842	8.3
155.03374	1.7
165.98891	1.7
166.99768	100.0
168.00237	5.0
181.01344	12.8
183.02910	63.8
183.04547	2.7
184.03183	5.5
185.00822	26.2
185.03354	2.1
199.00754	2.2
199.02412	20.0
229.23515	1.5
230.22241	1.3
312.76535	1.3
351.16171	1.1
351.17477	1.4
351.21667	9.6
352.14178	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66238	5.6
57.03333	9.9
57.84699	6.7
58.93338	5.4
62.08453	6.3
64.51285	8.0
65.00198	23.1
67.01749	12.5
68.31898	7.6
68.99708	10.5
69.03329	13.7
71.01251	10.9
79.01765	7.0
81.03341	9.9
83.01267	22.8
93.03318	12.6
95.01271	24.3
96.99188	12.9
98.20634	15.9
99.00761	80.9
107.01280	22.4
109.02840	37.8
111.00767	94.1
113.02325	13.3
115.00222	7.8
121.02843	12.3
123.00767	33.2
123.02248	7.2
124.01585	20.1
124.98703	10.3
125.02346	84.9
127.00285	12.6
136.98669	10.1
137.02341	45.2
139.00276	100.0
139.03903	18.8
140.01028	9.4
141.01857	90.0
147.00739	10.2
151.00250	37.7
152.01042	10.2
153.01831	88.0
154.99792	68.4
157.01344	25.9
157.02625	7.8
161.02388	16.4
163.00282	20.0
165.01884	40.1
166.99796	33.3
167.03400	40.7
168.00587	15.1
169.01331	19.8
175.00316	10.8
177.01869	27.5
178.99828	71.4
180.00317	12.9
181.01314	31.8
182.99277	13.2
185.00685	7.7
187.03900	10.9
189.01845	15.4
190.99814	16.9
191.03447	28.6
192.00531	7.4
193.01337	73.5
194.99268	33.4
195.02917	8.0
197.00815	23.5
199.03908	9.5
203.03487	12.6
205.01402	19.5
209.00851	54.8
215.03450	15.3
217.01262	7.9
217.05042	14.5
219.02708	9.2
227.03503	11.8
233.00958	10.1
233.04539	7.7
243.02953	15.7
245.04535	16.8
247.02365	16.8
251.02107	7.2
256.64685	7.1
259.02698	8.4
261.04089	11.3
271.02469	23.6
289.03375	22.1
315.01425	21.9
333.02628	53.1
351.03632	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1867
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
53.68556	0.9
55.01754	4.0
56.77590	0.9
57.03321	4.2
58.00467	5.5
59.01250	100.0
65.91899	0.8
66.35596	0.8
69.03315	1.3
70.90053	2.4
71.01252	87.7
72.01591	1.2
72.99184	6.8
73.02822	10.6
75.00755	1.2
81.06957	1.1
83.01252	5.5
84.02053	0.9
85.02822	25.6
86.42789	0.8
87.00764	4.7
87.04395	1.9
89.02315	76.8
90.02658	0.9
95.01258	5.7
99.00764	5.1
99.04425	1.4
101.02321	57.8
101.27142	0.7
102.02637	1.5
113.02327	40.1
114.02657	1.3
114.40965	0.8
119.03387	37.3
119.04241	2.0
125.02339	2.0
128.03532	1.0
131.03383	3.3
143.03412	6.9
149.04419	2.5
159.02921	2.5
161.04463	19.3
164.06973	0.9
179.05533	8.7
187.13293	9.6
195.49794	0.9
349.15332	2.0
349.18631	45.2
350.19034	3.8
350.25552	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99208	1.3
59.01250	100.0
71.01244	4.9
71.57464	1.6
71.57857	1.7
89.02318	3.8
101.02304	3.6
113.02335	3.8
113.11749	1.1
119.03418	2.1
146.09857	1.2
232.31564	1.3
288.05408	1.3
295.94565	1.3
349.20041	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	349.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99208	1.3
59.01250	100.0
71.01244	4.9
71.57464	1.6
71.57857	1.7
89.02318	3.8
101.02304	3.6
113.02335	3.8
113.11749	1.1
119.03418	2.1
146.09857	1.2
232.31564	1.3
288.05408	1.3
295.94565	1.3
349.20041	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	349.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51370	0.8
57.87692	0.9
59.01249	100.0
60.92750	0.9
64.56029	0.8
70.47021	2.8
71.01254	3.7
73.02837	1.3
85.02827	2.0
85.66940	0.9
87.70465	1.2
96.96891	1.0
101.02320	2.3
109.01564	1.8
113.02320	1.4
121.02823	0.9
122.23139	0.9
130.08624	3.3
140.10704	1.5
144.45714	1.1
150.33855	0.9
161.04469	2.1
210.07712	2.4
249.76286	0.9
287.61411	0.9
289.16370	1.4
305.13528	1.0
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
54.59418	2.1
56.93657	1.6
59.01251	100.0
65.00195	2.3
66.62352	1.7
69.99869	7.7
70.00282	3.3
71.01255	14.4
73.02816	4.4
83.01244	2.2
85.02829	2.3
87.18099	1.7
89.02317	8.5
95.01256	2.1
101.02329	7.8
107.01256	1.9
109.02826	2.5
111.00754	2.5
113.02328	5.6
119.03355	3.6
123.00745	2.0
125.02304	8.5
127.00261	3.0
137.02382	2.6
139.00237	5.6
147.04323	2.0
150.04001	1.7
151.00230	5.6
153.01857	2.3
154.99763	12.6
162.26088	1.9
166.99762	4.5
168.00461	3.7
170.31073	1.7
175.00171	2.8
175.03975	1.7
178.99768	5.0
187.13289	4.1
193.01355	6.9
194.99237	4.0
206.99210	1.9
287.02045	2.2
305.10208	3.8
331.73404	1.8
349.02075	3.2
349.18600	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	349.1867
Annotation	Rhodioloside D
Peak:m/z	Relative Intensity
55.01770	8.8
59.01252	92.9
69.92130	22.2
69.92535	29.8
71.01257	100.0
73.02818	20.2
85.02807	22.2
89.02317	68.0
95.01270	11.8
101.02309	67.6
113.02326	41.0
119.03396	34.6
147.04514	9.8
154.99788	10.0
161.04463	33.5
166.99741	13.5
194.99226	17.5
233.04610	12.9
246.73135	9.1
267.10120	9.7
287.01892	13.1
349.18625	66.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1868
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
50.59208	1.8
55.01751	2.6
57.03312	6.0
58.00452	5.3
59.01253	100.0
70.88163	3.8
70.88498	4.2
71.01257	89.9
72.01610	2.9
72.99181	7.6
73.02811	9.0
83.01228	5.0
85.02826	23.2
87.00771	4.5
87.04376	2.0
89.02320	66.8
90.70493	2.1
95.01264	7.3
99.00745	5.6
99.99437	1.8
101.02328	44.6
113.02338	35.1
119.03395	31.9
128.03439	6.0
131.03371	3.4
133.06831	5.0
143.03421	5.3
159.02878	3.5
161.04446	16.0
171.07687	3.0
179.05539	9.6
184.08621	2.0
187.13304	8.0
191.55591	2.2
349.18683	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	349.0689
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.2
59.01256	0.8
69.35406	5.9
91.01810	0.6
98.20501	1.1
132.02077	4.2
135.00797	1.0
193.08368	1.5
195.04427	2.3
200.80548	0.6
208.05219	2.0
223.03979	9.9
224.04742	3.9
249.29057	0.6
251.03499	7.8
252.04253	74.9
253.04581	5.0
261.14725	10.7
267.06607	100.0
268.06964	8.8
349.19714	1.4
355.40808	0.7
356.28824	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98935	0.5
55.01760	6.0
57.03323	0.8
59.01253	23.5
68.46461	0.5
71.01254	17.8
71.57393	0.9
72.99174	1.4
73.02832	3.5
75.00742	2.6
83.01258	2.0
83.04906	0.9
85.02819	7.2
85.06477	1.9
87.00735	0.7
89.02317	10.0
95.01254	1.0
97.06470	2.4
99.00743	1.4
99.04415	1.3
101.02326	11.1
106.04046	0.6
109.06475	3.8
111.00734	0.7
111.08051	1.9
113.02325	5.6
119.03391	4.0
125.02280	1.1
129.01843	3.0
137.09610	2.4
139.11188	32.9
140.11525	1.2
143.03377	0.8
145.00464	0.6
147.02873	4.5
157.12224	0.9
161.04434	3.1
181.58475	0.5
183.10170	1.3
187.13341	2.0
201.11258	100.0
202.11595	5.5
304.88046	0.7
305.11203	0.7
349.15091	13.7
349.18924	1.2
350.15509	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22575	3.4
55.63861	3.8
55.86761	3.8
59.01250	100.0
59.76616	4.0
68.90285	3.6
68.97795	4.1
70.84557	8.6
70.84930	7.2
71.97233	3.7
77.30740	3.7
79.07742	3.6
96.75295	3.5
96.95862	4.8
98.20050	4.7
99.93430	4.4
114.94817	4.4
126.11616	3.7
126.69612	4.0
135.36028	3.7
197.12221	4.9
199.06364	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03282	5.2
59.01263	26.5
63.02266	9.0
65.00196	24.8
65.39004	5.0
67.01750	7.2
67.86533	5.1
68.99691	7.4
69.03325	8.1
70.75571	18.9
71.01256	15.6
72.99194	6.7
75.91733	6.0
83.01249	20.3
85.02799	6.8
91.01803	7.1
93.03343	10.6
93.40005	5.7
95.01276	31.5
96.99200	6.7
99.00759	39.1
107.01280	26.8
109.02822	40.2
109.99995	11.1
111.00782	67.8
113.02309	8.1
121.02850	8.6
123.00775	57.6
124.01526	6.9
124.98553	6.2
125.02358	56.2
126.02623	5.6
127.00282	14.2
133.02870	12.8
135.00771	12.4
135.04427	11.9
136.98720	14.2
137.02344	39.1
139.00278	100.0
140.00876	5.5
141.01820	24.7
145.02873	9.5
147.04391	11.4
149.02364	17.4
151.00281	57.3
152.01073	11.9
153.01871	26.1
154.99771	80.2
159.04375	13.5
161.02386	5.5
163.00273	24.6
163.03885	9.0
164.00975	8.6
164.03467	10.8
164.98169	13.4
165.01822	17.9
165.98955	10.3
166.99782	93.0
168.00496	17.4
169.01328	46.6
169.02666	8.9
173.02299	9.4
175.03876	9.4
177.01871	15.4
177.11836	5.5
178.99754	72.4
180.00395	6.4
181.01337	11.1
182.99176	7.7
183.99994	9.9
185.00865	20.8
185.02362	9.7
187.03876	18.8
189.01822	16.3
190.02687	7.0
190.99821	28.4
191.03505	9.2
192.00560	8.5
193.01372	17.2
193.98477	5.8
194.99306	79.4
195.99559	6.8
197.00935	6.5
203.03456	13.8
205.01382	10.6
205.05043	12.2
206.99303	50.7
208.00046	8.4
209.00871	22.0
213.00291	67.0
215.03394	16.7
217.14406	35.3
219.02934	6.7
222.98830	31.9
223.99594	9.1
225.00259	9.9
229.01328	7.8
231.02948	22.6
233.04433	9.0
235.02411	8.2
243.02934	5.7
245.00877	8.2
249.03915	12.8
259.02432	43.2
262.10977	5.4
275.01993	15.3
275.16544	5.3
277.03641	34.7
278.03922	6.3
285.00385	9.8
287.01874	26.7
303.01416	20.5
331.00919	47.4
332.01355	6.6
332.18970	5.3
349.01865	44.5
350.02856	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1711
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
52.23879	0.6
55.01751	1.8
57.03334	1.5
58.00465	2.0
58.81812	0.6
58.91879	0.6
59.01253	56.9
65.76788	0.7
71.01256	37.2
71.59444	1.2
72.99184	3.4
73.02830	4.2
74.02355	0.8
75.00739	1.1
78.49456	0.7
83.01265	3.7
84.73712	0.8
85.02826	10.9
87.00734	1.7
89.02318	26.2
95.01254	2.8
96.06725	0.7
99.00762	2.2
101.02326	28.5
101.02998	1.4
113.02326	12.6
119.03393	12.3
125.02322	0.9
129.01830	0.8
131.03365	1.7
143.03375	0.9
155.10692	2.1
161.04459	1.6
167.10686	22.2
168.11084	0.9
169.12221	3.3
185.11794	3.2
203.08293	1.1
321.60074	0.8
347.17102	100.0
348.17462	8.1
356.00146	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40491	1.1
55.01770	1.8
57.03314	2.1
58.00457	4.3
59.01256	95.4
69.71588	8.5
71.01260	52.6
72.01572	1.3
72.99194	5.4
73.02826	1.6
81.02117	1.0
83.01267	3.8
85.02830	11.2
87.00753	1.2
87.73522	1.3
89.02324	43.4
95.01276	4.3
96.04417	1.7
98.19836	2.2
101.02326	38.4
108.04404	1.3
113.02345	17.8
119.03403	26.3
124.07578	32.9
131.03377	1.7
143.03410	3.1
149.04491	1.8
168.06609	20.8
179.05528	2.3
186.07663	5.0
263.29294	1.2
301.37250	1.2
348.13010	100.0
349.13400	6.6
355.29370	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1712
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
54.74214	0.5
55.01744	1.7
57.03310	2.0
58.00456	1.5
58.12027	0.5
59.01252	28.2
69.03330	0.6
71.01256	22.5
72.99172	2.2
73.02818	4.0
74.86507	0.5
82.20605	0.6
83.01256	3.2
85.02835	7.8
85.99971	0.8
86.65676	0.5
87.00737	1.0
89.02310	7.3
95.01239	1.7
99.00761	1.2
101.02314	12.1
107.67062	0.6
110.08450	0.6
111.00747	1.0
113.02340	6.2
119.03388	3.0
141.09079	0.9
148.69318	0.7
161.04495	1.4
167.10718	3.4
185.11761	6.7
320.07751	0.7
329.16049	1.9
347.17102	100.0
348.17477	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	347.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34673	1.1
55.01751	1.7
57.03308	2.0
58.00452	3.8
59.01251	100.0
67.32757	1.0
69.78883	3.5
69.79286	2.4
71.01251	56.4
72.99181	6.8
73.02818	1.7
74.02341	5.4
75.00736	1.9
83.01258	2.7
83.04887	6.1
85.02825	12.9
86.02358	1.2
86.40878	1.1
87.00739	3.2
89.02318	51.6
90.02608	1.2
90.46530	1.0
95.01273	4.9
98.19866	2.2
99.00742	1.7
101.02322	40.4
108.34725	1.0
113.02332	20.4
119.03387	24.4
123.00754	1.4
123.07989	1.6
125.02328	2.1
131.03462	1.4
132.04402	1.9
135.04306	1.9
143.03386	2.8
149.04498	1.6
154.25179	1.0
161.04488	2.1
167.10695	34.8
168.10986	1.8
173.11624	1.4
176.32040	1.0
179.05540	2.6
185.11751	2.5
202.07217	1.3
219.07686	3.1
347.12723	3.3
347.17062	37.1
347.23795	2.0
348.17447	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.4
57.03317	1.1
58.77536	0.7
59.01253	100.0
69.03345	1.0
71.01254	14.8
71.56922	1.0
71.57295	0.9
72.99149	1.1
73.02839	5.5
74.02325	1.6
81.03333	1.0
82.16665	0.7
83.01244	2.6
83.04896	5.3
84.04436	0.9
85.02818	7.1
86.02361	2.7
89.02320	3.0
95.01277	1.8
96.00834	1.0
99.00764	2.4
101.02327	9.8
113.02317	7.2
119.03381	0.9
120.04434	0.8
127.03821	0.9
131.03694	2.3
132.04469	2.2
143.10657	1.7
144.06560	0.8
157.07654	1.7
158.05991	1.0
159.02835	1.0
161.04454	5.1
175.08803	0.9
194.99393	1.3
196.06140	0.8
214.07149	0.9
219.07738	2.6
267.73154	0.8
285.12482	1.0
305.16132	7.3
347.12491	7.2
347.16937	1.6
368.21112	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1709
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
55.01746	4.7
57.03317	4.0
58.00456	2.9
59.01250	100.0
60.01556	1.3
66.95815	1.1
68.20418	1.1
69.03359	1.6
69.42891	2.9
69.43307	8.7
71.01251	70.2
71.04900	1.2
72.99176	4.2
73.02817	18.6
74.02353	2.3
83.01259	13.6
85.02824	30.3
85.89915	1.1
87.00749	3.4
89.02312	28.4
95.01238	5.0
97.02828	1.8
99.00750	9.1
100.80204	1.2
101.02319	70.6
111.00737	1.6
113.02320	28.3
119.03387	10.3
125.02324	3.3
132.98309	1.2
139.00264	1.7
143.03366	3.7
151.00224	1.4
159.02895	5.3
161.04454	22.9
178.99757	1.5
179.05487	1.6
185.11726	6.4
194.99225	2.4
205.03403	1.4
229.10741	2.1
245.13930	2.0
287.05450	1.2
295.74695	1.2
318.79218	1.3
347.12488	11.2
347.17047	32.2
348.17493	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	347.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	2.2
68.99696	2.9
70.90238	4.2
71.01260	2.4
78.65228	1.5
80.04887	1.5
84.04398	1.8
95.04894	7.5
107.03638	4.4
108.04410	1.5
110.05999	87.9
111.06316	3.0
116.04949	23.3
118.06516	10.9
121.05215	2.4
122.06004	95.1
123.06339	3.6
132.04416	1.5
134.05998	2.0
139.51118	1.2
144.04453	65.4
145.04884	2.9
146.05998	3.2
147.03175	2.5
162.05519	78.3
163.06308	8.0
188.03476	10.2
195.05324	3.4
215.11729	1.3
255.11411	24.2
267.11383	65.4
268.11661	5.3
273.12457	19.1
285.12442	100.0
286.12775	7.9
303.13495	19.8
304.13919	2.2
329.11295	1.6
347.12512	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	347.1248
Annotation	Achillamide
Peak:m/z	Relative Intensity
53.96270	0.8
55.01760	1.2
57.03309	1.4
59.01252	23.3
67.22732	0.7
71.01254	11.7
71.58691	0.9
71.59052	0.9
72.00781	1.6
72.01588	1.0
73.02834	1.9
74.02348	11.7
75.00739	1.2
81.03329	9.1
83.01242	1.4
83.04900	45.1
84.64530	0.9
85.02806	3.7
86.02353	34.9
87.00721	1.5
89.02314	6.1
90.72504	0.9
92.00035	0.8
92.04932	5.2
93.03352	0.9
95.01244	1.2
98.02345	1.9
99.00733	1.7
99.08036	1.2
100.07553	4.5
101.02317	6.9
101.05914	1.2
102.02655	0.8
104.40535	0.9
108.08029	1.7
113.02338	4.7
116.04899	1.1
118.02864	2.1
118.06469	0.8
119.03419	1.5
119.05005	0.9
120.04461	1.2
121.02856	1.2
124.01526	0.9
125.02373	1.3
126.05523	5.5
126.09138	2.6
127.03866	1.1
130.06506	2.0
131.02753	1.5
131.03673	23.3
132.04457	26.8
133.04810	1.1
135.04445	4.3
140.07060	2.7
144.04465	6.3
144.06548	6.9
145.04971	5.3
146.06004	1.7
147.04439	1.0
149.02490	1.1
152.07031	3.5
157.07628	20.0
158.06021	9.9
161.04460	3.8
164.23337	0.8
165.05466	1.8
166.05818	1.6
170.08128	5.4
175.08670	10.4
178.05049	1.1
184.04008	3.0
184.06064	6.8
185.11713	2.2
193.04852	0.9
196.06100	9.4
201.06612	4.9
202.05374	0.9
202.07187	3.7
214.07120	10.6
215.12874	1.1
219.07704	37.6
220.07985	2.6
285.12506	5.3
303.08926	1.0
303.13416	4.6
305.16031	1.0
329.11438	7.3
347.12424	100.0
348.12772	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	345.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73965	1.3
58.75453	1.2
59.01256	3.0
65.97373	1.1
67.43005	1.1
71.16396	1.2
71.58102	1.8
78.95782	4.1
80.02547	3.0
81.03339	5.2
83.04893	12.6
84.02036	4.5
95.04900	2.0
109.06526	1.3
109.53469	1.2
125.05967	2.4
125.09619	2.2
129.09097	4.9
132.98100	1.8
135.08072	3.0
137.09612	1.4
141.09097	3.5
163.11208	9.0
165.09068	1.5
165.12741	6.3
171.10217	4.6
181.12195	1.9
185.11755	10.5
186.95543	3.0
188.01131	1.4
191.10713	2.3
197.11819	8.6
201.11317	2.0
202.98647	1.3
209.11783	100.0
210.12129	5.9
248.96088	3.4
290.97128	8.1
291.19794	1.5
321.78354	1.5
345.22900	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	347.0619
Annotation	Doxefazepam
Peak:m/z	Relative Intensity
59.01244	5.2
71.01251	5.4
71.29132	4.8
78.06976	2.2
83.01276	2.9
95.01263	9.8
96.99136	2.2
99.00779	3.0
109.99944	4.9
111.00759	13.8
123.00768	19.4
124.98549	2.3
125.02403	2.5
137.02399	3.0
137.99501	6.1
139.00270	35.0
140.01086	35.7
141.01852	26.3
149.91843	2.3
151.62988	2.4
165.98994	25.1
166.99782	68.5
169.01334	2.3
182.99275	4.0
183.02907	3.7
184.00066	60.4
185.00847	20.6
203.99580	2.3
219.34714	2.5
303.07458	2.9
329.05093	61.3
330.05673	5.3
347.06183	100.0
348.06519	5.9
360.69751	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	345.2281
Annotation	oscr#20
Peak:m/z	Relative Intensity
52.37592	0.8
58.00466	1.0
59.01238	3.5
64.75060	0.9
71.01257	1.5
73.02819	2.3
78.95774	1.3
81.92632	0.7
83.12990	0.7
84.02039	1.3
84.64738	0.9
87.83435	0.9
96.39128	0.9
99.08049	2.6
113.09612	3.5
125.09620	4.1
127.11139	2.8
129.09120	2.7
132.98065	1.3
137.09612	1.0
141.09146	5.1
143.10634	1.4
153.09077	1.2
155.10661	1.5
167.10648	1.0
169.12254	2.4
171.10168	24.6
172.10605	1.6
185.11749	10.2
186.95500	1.8
197.11765	8.8
199.13313	1.2
201.11246	7.6
209.11743	1.1
213.11295	2.1
215.12843	2.3
227.12822	1.0
239.83786	0.8
248.96042	2.4
266.83051	0.8
269.83429	1.1
277.70459	1.1
290.97174	5.1
291.19601	1.2
292.66510	0.8
297.24338	0.8
299.98129	1.4
315.00449	2.3
327.21631	3.9
330.02737	2.2
344.94659	0.9
345.04987	1.7
345.22809	100.0
346.23221	9.3
350.62943	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1556
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
55.01760	8.7
56.06616	1.1
57.03322	3.5
57.56258	1.2
58.00466	4.7
59.01255	83.5
64.40271	1.2
71.01259	85.9
72.99182	5.2
73.02828	17.7
74.02325	1.1
75.00747	1.5
83.01258	12.7
85.02828	35.9
85.99969	2.0
87.00760	4.1
89.02319	40.8
95.01266	8.4
97.02800	1.5
98.19758	3.1
99.00759	8.2
101.02328	70.5
108.04469	1.7
109.02848	2.4
111.00789	2.0
113.02341	31.8
119.03410	18.4
121.02836	3.7
121.10129	7.0
122.03593	3.4
125.02309	2.0
129.01799	1.8
131.03439	1.5
135.04446	1.7
137.02357	2.5
143.03424	2.8
147.04425	2.8
152.04659	1.5
159.02867	3.4
161.04488	10.7
165.05489	9.0
165.09114	2.9
178.99692	1.3
179.05563	2.4
179.07104	2.5
183.10184	2.1
214.83725	1.5
230.19841	1.3
257.13016	1.4
301.16476	3.2
345.11893	5.2
345.15555	100.0
346.16071	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	345.1553
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
55.01750	6.6
57.03313	5.2
58.00462	4.6
59.01251	100.0
64.39188	1.4
68.07030	1.5
70.44216	5.5
70.44566	2.0
71.01257	73.9
72.99173	6.4
73.02818	13.8
74.02352	2.8
83.01257	12.6
85.02827	27.1
85.04906	1.5
87.00745	3.8
87.51150	1.4
89.02319	45.6
92.57967	1.6
94.44939	1.7
95.01247	5.9
97.02847	1.6
98.20474	1.9
99.00753	5.3
99.16526	1.6
101.01700	3.3
101.02328	57.0
107.48550	1.7
109.02866	1.9
113.02325	30.2
119.03391	25.7
121.02824	3.6
121.10112	7.5
122.03638	3.0
125.31987	1.6
129.01775	1.8
132.04477	2.6
137.02220	2.2
143.03358	1.9
147.04488	2.3
159.02911	2.0
161.04456	5.2
161.05807	2.5
165.05473	7.3
179.07057	3.5
274.16086	1.9
276.90381	1.8
301.16492	3.2
345.11700	4.6
345.15521	89.4
346.16010	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.3
59.04586	0.6
61.20240	0.7
69.39497	3.2
69.39924	2.1
72.00785	6.7
74.02345	43.3
75.02672	0.8
81.03332	6.1
86.02351	1.4
95.04905	7.2
97.06469	48.4
98.06801	1.5
98.20538	1.0
100.00285	1.2
109.01594	1.5
114.09139	10.1
116.04948	32.3
117.05249	1.3
128.10710	2.6
130.06526	1.3
136.07521	1.4
140.07072	5.2
142.06534	7.7
144.48726	0.6
154.08627	3.8
157.07513	0.9
159.06549	1.0
159.09187	10.1
166.08646	0.6
171.10228	1.1
173.10851	0.8
186.05530	1.4
198.07651	9.0
203.08199	100.0
204.08554	6.7
210.07526	1.3
216.08713	8.8
217.15408	0.5
217.81447	0.5
243.02567	0.5
257.16440	1.6
273.10693	0.5
301.15576	2.3
322.44144	0.5
339.81039	0.6
342.20462	0.5
345.14545	69.4
345.22693	9.0
346.14816	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17836	0.6
57.03318	0.6
59.01237	1.2
70.37646	0.5
70.53059	0.6
71.01257	0.7
71.57828	1.3
72.00787	4.7
72.04414	0.9
74.02346	49.7
78.95786	1.3
81.03336	7.3
86.02354	0.9
95.04905	8.5
97.06472	50.1
98.06844	1.0
100.00310	1.6
109.01577	1.3
110.09653	0.5
114.09132	9.8
116.04952	36.0
117.05307	1.3
121.80844	0.6
123.44276	0.6
128.10724	3.0
130.06575	1.1
136.07672	1.1
140.07080	4.8
142.06528	8.3
154.08672	3.7
159.06451	1.1
159.09206	8.9
160.09505	0.7
165.16977	0.6
171.10207	1.1
186.05499	1.4
198.07643	8.5
203.08206	100.0
204.08556	5.0
210.07634	0.8
212.70816	0.6
216.08734	8.0
257.16696	1.3
301.15585	2.5
319.47485	0.7
327.13474	1.1
345.14545	60.9
345.22717	8.6
346.14804	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	345.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80117	0.5
59.01254	3.1
69.31178	6.0
71.01257	1.5
71.29617	0.5
84.04446	0.7
85.02826	0.6
89.02335	1.1
95.03651	3.2
96.04472	0.6
96.08057	1.7
97.01556	0.5
101.02319	0.6
104.04960	1.5
106.06506	5.2
107.04837	0.6
108.04428	1.2
109.02823	0.9
112.03960	0.8
119.77189	0.5
122.06032	2.6
123.03137	0.7
124.07581	6.5
132.04453	38.9
133.05247	23.2
133.06277	0.9
134.06030	6.8
146.02365	0.7
146.05936	0.7
148.03925	2.1
150.05533	1.9
151.03996	0.7
165.04237	28.3
166.04553	0.8
176.03441	1.3
176.07047	1.0
177.04221	4.5
178.05034	1.7
183.10185	2.8
184.07642	0.7
185.08432	0.8
186.09200	5.5
187.08681	0.6
198.09276	0.7
209.03279	6.4
213.06612	5.1
214.12347	6.4
215.11815	7.2
226.07462	1.7
227.08282	0.8
229.09789	4.7
240.10352	0.8
241.09824	5.1
241.12173	0.8
249.02708	0.6
255.11395	1.7
257.12943	29.4
258.13232	2.2
267.06805	1.3
283.10861	9.1
297.11377	1.7
299.29187	0.6
301.11963	21.8
302.12308	1.5
327.09869	2.3
332.96527	0.6
345.10913	100.0
346.11270	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	345.0828
Annotation	Methyl gallate 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
56.42067	0.4
57.03320	0.8
59.01257	2.4
65.57564	0.4
69.03336	1.0
71.01267	0.8
71.57160	0.8
71.57523	0.5
72.99178	2.4
77.03853	0.9
81.03342	0.5
83.01271	1.3
93.03317	0.5
95.01283	0.6
95.04903	0.4
97.02821	1.3
99.00762	1.7
109.02859	0.6
111.00768	0.8
111.04436	0.5
113.02370	0.4
121.02850	1.6
123.00813	0.6
123.04401	0.4
123.08070	0.4
125.02317	0.6
137.02345	7.2
139.00269	1.5
139.03928	1.0
140.01044	0.9
141.01843	6.8
148.00946	0.4
153.01859	2.5
154.02182	1.4
165.01839	10.4
166.99779	1.4
167.03455	0.5
181.01369	3.6
182.02124	13.5
183.02916	100.0
184.03241	3.6
191.10800	0.5
195.02994	0.5
207.03003	1.4
225.03976	0.7
254.81334	0.5
345.08228	21.1
346.08609	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	2.5
59.01253	20.1
65.33759	2.0
69.65886	13.9
69.72429	1.9
71.01257	20.8
73.02807	7.1
74.02349	25.8
81.03339	7.6
83.01261	6.4
85.02828	8.5
86.02351	30.7
89.02313	6.6
92.04927	10.3
99.00751	4.9
101.02310	13.5
113.02330	6.0
116.37242	1.9
118.02863	2.9
120.04436	1.7
124.07592	16.3
130.06502	5.2
131.02731	3.7
131.03665	45.2
132.04460	48.3
133.04709	2.0
138.05540	5.6
144.04451	26.7
146.06013	6.6
150.05519	5.1
156.06563	4.5
157.07631	87.7
158.06024	17.0
158.07983	4.8
159.02884	2.4
160.03870	2.6
161.04445	6.0
168.06563	14.3
175.08694	31.2
201.06622	14.2
212.05617	9.7
219.07715	100.0
220.08028	2.8
239.11888	4.5
241.12282	2.3
257.13028	6.2
283.10889	6.6
301.11853	17.6
314.34808	2.2
320.77573	2.6
327.09583	4.4
345.10938	63.6
345.14902	3.3
345.19174	3.9
346.11108	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	344.223
Annotation	Dehydrodictysine
Peak:m/z	Relative Intensity
57.03315	3.2
59.01237	0.8
70.15498	2.0
70.15903	1.8
76.29050	0.7
80.63792	0.7
91.05414	4.1
116.04959	2.6
117.06989	2.6
118.06516	100.0
119.06841	4.7
119.13304	0.7
135.04445	2.3
139.47852	0.8
143.51436	0.6
153.12767	1.7
155.09126	0.7
169.15891	10.3
181.15950	3.8
196.17017	1.9
208.17017	8.7
211.15779	0.7
257.19058	1.6
276.63367	0.8
282.22293	1.6
300.23279	11.5
301.23636	1.6
336.75931	0.8
344.22333	8.0
345.22653	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.3
59.01244	1.2
69.03331	1.7
70.04600	1.5
70.04971	0.7
83.04898	1.6
97.02889	0.4
97.06474	1.0
99.08043	8.5
100.08395	0.4
121.10137	1.7
123.30303	0.4
125.09612	1.9
127.11137	0.6
137.09624	1.1
139.11198	0.8
149.13258	0.3
151.11169	0.6
165.12764	1.1
167.10637	0.3
171.10187	14.7
172.10544	0.6
175.11230	0.8
183.13905	0.4
193.12282	15.5
194.12599	0.8
197.15407	0.7
211.13373	3.0
225.14926	21.7
225.94182	0.4
226.15259	1.4
243.15996	7.7
293.21320	2.2
311.22305	0.9
325.23849	1.1
343.24902	100.0
344.25244	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	343.2487
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
51.42634	0.6
54.63061	0.6
59.01234	2.2
62.10456	0.7
64.89996	0.7
70.90150	1.7
78.95752	0.7
82.63576	0.7
101.30259	0.8
121.10119	11.6
122.75113	0.7
125.09626	1.3
127.11188	2.0
137.09616	2.6
138.14011	0.8
139.11209	3.3
153.09142	1.2
165.09138	1.8
171.10179	72.3
172.10489	2.8
189.24606	0.7
201.02592	0.9
247.67906	0.6
283.06137	1.6
293.21091	1.5
343.24881	100.0
344.25314	10.5
354.43765	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2489
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
53.22859	0.5
57.03312	0.5
69.03336	0.6
69.26237	6.9
97.06442	0.7
98.19809	0.9
99.08045	3.7
99.10216	0.6
121.10130	7.5
123.46193	0.6
125.09620	1.2
125.17070	0.5
127.11161	2.2
128.33186	0.5
137.09584	1.5
139.11185	1.6
153.09174	0.7
165.09085	0.6
171.10185	48.3
172.10535	1.5
193.12251	7.4
194.12506	0.7
211.13347	1.6
225.14915	7.9
243.16005	3.1
293.21164	3.1
325.23868	0.8
343.24890	100.0
344.25238	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	343.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56099	0.6
52.98577	0.6
57.03331	3.3
59.01252	39.6
68.17635	0.5
71.04893	2.7
71.60850	1.0
72.99209	0.8
81.01895	0.6
83.04913	0.9
84.02059	0.6
85.02817	1.8
85.06462	7.4
89.02297	0.6
97.06480	2.1
101.05969	2.0
104.27069	0.5
109.06512	0.7
111.08029	1.2
113.05968	1.7
115.07541	17.9
121.02843	0.9
125.02327	0.7
127.13408	0.6
129.09120	2.1
135.04404	0.6
139.11171	3.4
143.10715	1.2
160.03957	1.8
179.14343	1.7
197.11702	0.7
219.05411	0.8
237.14868	0.6
237.18468	1.1
251.04390	0.6
255.19592	1.4
269.00839	0.7
270.01938	1.0
283.19165	16.2
283.22290	0.9
284.19553	1.7
301.20206	100.0
302.20541	7.9
313.03665	2.4
325.19809	0.6
328.05777	1.0
343.04437	0.8
343.08231	1.2
343.12540	1.2
343.21280	17.0
344.21811	1.4
365.79272	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76929	2.6
55.64822	2.2
57.03299	3.3
59.01245	9.4
62.37147	2.3
69.03324	3.2
69.71938	9.4
69.72358	7.0
71.01265	3.7
73.74745	2.4
78.53947	2.1
80.02541	3.0
81.03304	3.6
83.04898	15.4
84.02045	3.6
85.02817	2.8
95.04929	3.6
99.08096	2.5
109.02809	2.7
109.06487	3.0
113.02365	3.3
123.07970	3.1
125.09613	3.9
161.42734	2.5
163.11191	9.3
165.12776	7.0
171.10196	10.5
185.11873	2.5
193.51686	2.2
198.46188	2.6
209.11772	100.0
210.12080	7.2
211.13400	4.0
229.14426	6.5
278.53311	2.6
285.04019	2.9
313.03583	7.2
343.08142	3.5
343.21292	32.5
343.68051	2.3
344.21686	3.3
356.12653	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	343.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	3.1
59.01254	39.7
69.03307	0.7
71.01254	1.4
71.04893	3.8
71.40755	1.2
71.41112	0.8
71.82805	0.6
73.50127	0.6
79.99165	0.6
80.39293	0.7
84.25232	0.6
85.02811	1.1
85.06457	4.8
87.08023	0.8
97.06461	3.2
101.14487	0.6
103.46185	0.7
107.01239	0.7
115.07539	16.1
127.11176	0.8
129.09151	0.8
139.11185	3.6
151.00233	1.4
155.10638	0.7
157.12276	2.3
165.93100	0.7
171.10190	0.8
178.99783	2.7
229.41316	0.7
255.19479	1.0
266.74551	0.6
283.19156	21.0
284.19458	1.4
285.03995	0.6
301.20218	100.0
302.20602	9.3
325.11908	0.6
343.21265	11.5
344.21497	1.0
352.11746	0.7
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	Taxuside
Peak:m/z	Relative Intensity
50.78036	1.8
58.16573	1.6
58.99178	1.7
59.01250	14.1
59.64933	1.6
60.28932	1.7
68.19305	1.6
71.01243	6.9
71.16294	5.1
73.02838	2.1
73.96936	1.8
84.70367	1.7
85.02827	4.2
89.02335	2.3
95.01244	2.6
101.02341	4.5
109.02829	5.7
109.06503	3.9
112.03922	8.9
119.04868	3.9
121.02829	6.3
123.04395	6.0
125.02344	2.4
127.08914	2.0
133.44089	1.8
135.04407	10.2
136.05203	27.6
137.05025	2.9
137.06003	23.8
139.03912	2.3
148.05142	3.8
150.06783	15.7
150.09068	2.0
151.07512	13.8
161.11092	1.7
162.06758	17.0
163.03905	14.2
163.07553	23.7
165.05511	11.5
167.07059	3.7
176.54559	1.8
179.03563	1.9
180.07831	36.4
181.05014	68.5
181.08612	100.0
182.05295	4.8
182.09010	3.9
212.09279	3.9
237.34952	2.0
241.03482	3.3
255.10329	3.9
343.06683	3.5
343.10440	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	343.2124
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
51.32323	0.8
51.87315	0.9
55.01752	1.2
57.03316	4.1
59.01247	2.0
63.63326	0.9
69.03336	2.1
69.47171	8.5
71.04900	7.7
80.02556	1.0
81.03304	1.3
83.04887	5.8
84.02061	1.4
85.02821	5.1
85.06451	2.2
87.04375	1.1
93.03372	1.0
95.04902	5.8
97.06459	5.3
98.20532	2.1
106.04112	2.9
109.06458	1.2
119.47244	0.9
121.06468	1.0
123.08033	2.4
125.09597	1.9
127.11172	2.6
133.06430	0.9
135.08064	6.7
144.50252	0.9
150.44698	0.8
153.09096	5.0
164.44316	0.9
171.10184	100.0
172.10521	4.4
172.39743	0.9
185.11874	1.0
201.11243	5.3
211.13319	2.0
215.18680	0.8
229.14450	2.2
237.14951	3.2
255.15872	2.1
289.18060	1.8
325.20123	3.6
343.08105	1.4
343.21246	71.3
344.21661	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	343.14
Annotation	Taxuside
Peak:m/z	Relative Intensity
51.92721	0.4
55.01750	0.9
57.03321	0.9
58.00463	0.9
59.01255	16.2
66.32216	0.4
70.02309	2.3
71.01257	11.9
72.99190	1.4
73.02818	2.4
83.01270	1.7
85.02823	4.7
85.99969	0.6
87.00768	1.5
89.02322	5.7
95.01259	0.6
99.00743	1.0
101.02321	7.9
108.02055	1.2
109.02847	1.6
111.00742	1.4
112.34824	0.5
113.02338	3.1
119.03394	2.1
119.04829	0.6
121.02838	1.1
122.03632	6.7
123.04448	0.7
124.01539	1.0
125.02393	0.7
135.04408	2.3
136.05122	1.5
137.02339	1.1
137.04982	0.6
137.05989	2.0
153.01878	1.0
154.02629	1.0
159.45175	0.5
163.07587	7.1
179.03427	0.6
180.04149	1.5
181.01346	1.3
181.08627	70.6
182.08984	3.4
223.09659	0.7
255.10222	1.4
295.09662	0.5
307.80951	0.5
325.12695	0.6
343.13971	100.0
344.10565	0.5
344.14395	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	343.14
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62519	0.7
57.03333	0.8
59.00956	1.4
59.01252	26.2
61.71432	0.7
70.76510	2.1
70.76831	0.9
71.01251	17.6
72.99161	1.2
73.02815	1.8
81.03333	1.2
83.01261	2.1
85.02818	6.0
87.00742	1.5
89.02320	11.1
89.09646	0.8
95.01272	1.6
95.04889	1.0
97.02826	1.7
99.00747	1.3
101.02322	12.8
108.02053	3.2
110.11854	0.8
111.00797	1.3
113.02336	5.6
119.03391	5.8
121.02827	1.7
122.03639	4.4
123.00766	0.9
124.01536	2.6
125.02325	2.0
135.04376	1.0
137.02336	1.7
137.05995	1.5
139.03975	1.1
150.32054	0.8
151.07539	2.4
163.07538	9.5
167.03421	1.5
181.05078	2.7
181.08629	58.4
182.09026	2.5
223.06075	10.2
253.07069	1.2
275.47202	0.8
343.13974	100.0
344.14377	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	343.1034
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
52.00153	0.8
55.41941	0.8
59.01250	15.8
67.04829	0.8
71.01258	2.4
71.38920	1.4
71.39274	1.3
73.09174	0.8
77.52709	0.9
85.02834	1.5
86.13838	1.0
93.03313	1.1
95.04974	1.2
107.04944	1.1
108.02039	1.1
108.62098	0.9
109.02840	8.2
109.06494	4.1
119.04951	5.1
121.02842	8.3
135.04427	7.7
136.04764	1.1
137.02405	1.4
137.03534	0.9
137.05984	26.8
138.03159	1.4
138.06404	1.0
145.15724	0.9
166.02643	1.3
166.06293	3.0
173.47142	0.8
179.03352	0.9
181.04999	100.0
181.08510	2.8
182.05357	5.0
255.10156	1.0
343.10355	7.7
343.14005	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.14
Annotation	Taxuside
Peak:m/z	Relative Intensity
51.62519	0.7
57.03333	0.8
59.00956	1.4
59.01252	26.2
61.71432	0.7
70.76510	2.1
70.76831	0.9
71.01251	17.6
72.99161	1.2
73.02815	1.8
81.03333	1.2
83.01261	2.1
85.02818	6.0
87.00742	1.5
89.02320	11.1
89.09646	0.8
95.01272	1.6
95.04889	1.0
97.02826	1.7
99.00747	1.3
101.02322	12.8
108.02053	3.2
110.11854	0.8
111.00797	1.3
113.02336	5.6
119.03391	5.8
121.02827	1.7
122.03639	4.4
123.00766	0.9
124.01536	2.6
125.02325	2.0
135.04376	1.0
137.02336	1.7
137.05995	1.5
139.03975	1.1
150.32054	0.8
151.07539	2.4
163.07538	9.5
167.03421	1.5
181.05078	2.7
181.08629	58.4
182.09026	2.5
223.06075	10.2
253.07069	1.2
275.47202	0.8
343.13974	100.0
344.14377	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	343.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15261	0.3
59.01252	5.3
61.42302	0.5
71.00042	0.9
71.01249	1.2
73.02826	0.4
83.01251	1.0
85.02814	1.2
85.32301	0.4
95.01266	5.8
96.71226	0.4
101.02275	0.6
108.02011	0.7
109.02818	0.8
111.00787	0.7
113.02319	0.7
121.02848	1.7
123.00771	100.0
124.01575	26.2
125.01865	0.5
125.02383	0.4
130.78011	0.4
131.62944	0.4
137.02328	2.0
138.03130	54.4
139.00336	2.1
139.03917	40.0
140.04276	1.2
147.57864	0.4
149.02321	1.4
151.03935	0.6
153.01929	0.5
161.04462	1.3
163.03944	1.0
165.05290	0.4
166.02667	1.4
178.02658	1.1
181.04984	3.5
193.04990	1.8
197.94099	0.4
225.93039	0.4
237.43103	0.5
283.08258	0.6
343.10443	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1033
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
59.01254	1.0
69.68087	2.6
70.97984	0.3
71.01251	0.4
71.04893	0.6
73.02819	0.8
81.03338	4.0
83.01264	0.8
88.94385	0.3
95.04898	3.0
97.02829	3.9
108.88183	0.4
109.02834	0.4
112.71800	0.4
113.05991	0.4
121.02853	0.7
122.03606	1.1
123.00815	0.5
123.04432	0.4
125.02342	4.5
137.05988	39.7
138.06306	1.6
139.03911	1.3
149.02336	1.1
149.05952	0.4
151.00291	1.1
151.03865	0.8
152.01097	0.5
155.94620	0.3
159.29459	0.4
163.03920	0.6
165.05498	0.6
175.00244	0.7
177.05519	1.3
179.03442	0.4
180.04224	0.6
181.04991	100.0
182.05354	4.5
187.03928	0.4
193.04968	1.0
195.06560	3.1
205.05019	24.9
206.05411	1.7
220.03830	0.4
223.06087	9.8
224.06400	0.6
235.06110	3.0
247.06126	0.5
255.01508	0.4
283.08124	0.7
343.10266	3.7
344.10889	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.037
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40213	1.4
55.33208	1.3
57.74985	1.4
57.87346	1.6
59.01250	89.7
70.05399	4.8
94.31598	1.3
116.33556	1.3
157.03502	3.1
159.01396	5.4
173.06853	1.5
176.11014	1.3
201.02496	100.0
202.02673	8.8
343.03580	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	343.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61523	0.6
59.01289	3.2
71.57588	1.3
74.00594	0.8
78.95830	1.2
83.06399	0.8
87.83391	0.8
113.83717	0.8
121.02859	1.5
128.74625	0.7
134.04703	1.0
138.27673	0.7
145.73920	0.7
146.00046	1.2
169.01454	0.8
171.10205	1.5
185.99516	1.4
195.10381	1.2
197.99545	2.6
198.11655	0.8
199.09782	0.7
218.24522	0.8
241.98546	1.5
254.99390	2.2
257.00955	2.6
269.00812	0.9
269.98059	41.5
270.98456	3.0
285.00439	14.8
297.97543	65.7
298.98026	4.9
312.99899	100.0
314.00223	8.1
327.01489	0.9
328.02225	96.7
329.02600	7.4
343.04553	48.9
343.21146	3.2
344.04865	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	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	31.6
61.38171	2.0
63.94043	2.0
69.03329	2.7
71.01254	25.6
71.04895	5.1
71.57623	2.1
72.99174	2.0
81.03323	5.6
83.04884	4.8
84.02050	19.7
85.02829	2.6
85.64117	1.9
89.02317	29.1
92.19166	1.8
97.02845	11.2
97.06474	5.1
99.04391	11.1
101.02336	11.5
104.73387	2.0
108.15728	1.7
113.02357	8.8
119.03371	10.5
119.08553	2.7
121.02771	2.0
127.11216	2.6
132.02156	1.7
135.08046	3.3
137.09615	3.1
143.03412	2.2
149.04433	2.3
151.00198	3.4
151.07491	2.6
161.04424	2.8
171.10176	71.2
172.10519	4.3
179.05521	12.0
181.88885	1.7
193.12274	6.4
211.13376	2.1
225.14973	9.1
235.13380	6.7
243.15912	2.2
253.14510	13.2
262.35574	2.2
287.16446	2.9
291.19635	13.4
341.10696	9.0
341.23306	100.0
342.23679	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01292	0.6
52.41803	0.7
59.01249	1.2
69.03339	1.8
71.01259	1.1
83.04902	1.0
84.01540	1.3
84.02045	24.8
85.02347	0.7
89.02332	0.9
90.97466	0.5
95.50686	0.6
97.02820	9.6
97.06452	3.6
99.04385	6.9
110.03602	0.7
110.54964	0.6
118.31425	0.6
119.08571	2.8
125.09586	1.5
127.11160	1.1
135.08084	1.3
137.09610	1.2
153.09245	0.5
162.57617	0.6
171.10191	66.0
172.10535	3.5
193.12282	4.4
211.13295	1.0
221.11740	0.9
225.14891	8.1
243.15947	3.8
253.14313	1.6
275.49893	0.7
291.19693	2.5
341.23318	100.0
342.23666	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45304	0.7
59.01252	8.8
67.73024	0.6
69.03331	2.0
71.01245	5.4
71.15237	1.0
71.15562	1.0
74.37421	0.7
77.07828	0.7
81.03313	0.9
83.04910	1.1
84.02052	8.8
89.02312	5.6
95.04839	0.8
97.02835	3.3
97.06458	11.0
99.04387	2.2
101.02317	2.6
113.02304	2.0
119.03371	2.1
119.08533	1.0
121.10072	0.8
124.50124	0.7
125.09621	1.8
127.11137	0.9
135.08047	1.1
137.09596	1.3
165.12842	1.1
171.10175	23.7
172.10609	0.9
175.11101	1.1
177.12706	0.9
179.05499	1.3
183.13826	1.8
193.12276	17.1
194.12674	1.3
211.13336	2.8
221.11739	0.8
225.14905	22.3
226.15237	2.1
237.89529	0.7
243.15962	9.9
244.16283	1.0
253.14368	1.7
272.16339	0.7
291.19644	2.5
305.21198	1.2
341.23306	100.0
342.23621	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	341.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	5.8
58.59983	2.1
59.01257	40.9
60.01610	2.7
67.01746	3.2
69.03326	5.8
69.41405	22.4
69.92403	2.2
71.01261	30.4
71.04894	40.9
81.03336	38.3
83.04900	26.3
85.02810	3.4
87.04347	2.5
89.02324	31.6
95.01264	4.2
95.04932	13.3
97.02840	6.7
97.06471	5.8
99.04401	40.9
101.02325	15.2
108.02129	3.1
109.02861	5.4
109.06463	8.5
111.04397	9.1
113.02309	12.3
113.05946	5.1
119.03440	11.2
121.06414	3.4
123.04462	2.5
123.08031	2.2
125.09556	3.8
129.09076	2.8
133.06468	4.8
137.02364	2.6
137.06024	2.4
151.07532	13.9
153.09135	3.5
161.04372	3.0
163.03905	2.9
163.21284	2.4
165.09026	3.2
165.12755	2.5
171.10175	43.0
179.05489	9.6
185.11794	3.6
189.12851	3.0
191.14333	7.9
193.12297	22.4
205.15807	3.5
211.13268	6.7
213.11307	2.5
233.11781	3.3
235.13339	52.8
236.13763	3.2
243.17374	4.7
253.14430	100.0
254.14764	6.6
281.17929	2.8
284.83490	2.3
287.16544	24.5
299.18652	10.2
305.17566	14.3
323.18646	5.0
341.10794	7.8
341.19806	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	341.197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	5.7
59.00988	1.9
59.01253	22.9
63.83978	1.1
67.57974	1.2
69.03329	2.2
69.48175	2.2
69.48582	9.2
70.34477	1.7
71.01259	18.4
71.04900	8.0
73.02833	2.6
75.00756	1.9
75.84517	1.2
80.02573	2.7
81.03342	5.5
83.01250	1.6
83.04887	12.5
84.02048	2.9
85.02836	5.2
87.00766	1.6
87.04391	3.6
89.02323	11.9
93.03342	3.3
95.04901	10.5
95.28682	1.2
97.02803	1.7
97.06467	4.1
99.04403	2.3
99.66257	1.2
101.02321	3.6
107.04952	2.5
109.02827	2.2
109.06490	7.0
110.03624	2.7
111.04401	6.9
111.08076	1.8
113.02339	5.1
113.05936	3.2
119.03412	2.3
122.03667	1.6
123.04366	1.9
123.08024	2.7
125.05972	9.7
125.09622	4.8
127.11253	1.7
135.04395	2.3
135.08047	2.0
137.06003	3.0
137.09654	1.8
139.07584	1.6
143.03444	1.6
151.07573	3.0
153.09044	1.2
163.11179	7.4
165.12779	4.4
171.10184	14.0
177.12761	1.5
179.05556	3.6
185.11760	21.0
197.11752	15.0
201.11276	7.7
203.14371	2.0
209.11783	100.0
210.12154	8.0
213.11229	2.6
221.11795	4.7
227.12875	12.0
235.13437	8.1
237.14977	2.7
239.12866	5.2
251.12811	5.7
253.14325	3.6
257.14261	1.5
265.14438	6.0
281.17529	2.0
287.16510	2.6
299.18640	13.7
305.17636	6.6
323.18643	9.2
341.10483	2.8
341.19705	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	341.197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	3.6
57.62887	1.4
58.06233	1.6
59.01256	26.9
62.63424	1.5
71.01258	28.1
71.04902	13.5
71.60258	2.3
72.99170	1.6
73.02827	3.4
81.03338	4.5
83.01241	2.0
83.04923	8.3
84.02045	4.1
85.02824	7.6
87.00771	3.0
89.02320	13.3
93.03358	2.0
95.04910	11.6
96.07070	1.6
97.06496	8.3
97.18558	1.4
99.04411	2.7
101.02357	5.5
107.04929	3.9
108.02058	2.2
109.06468	3.7
110.03660	2.2
111.04440	2.0
111.08050	2.8
113.02363	5.8
113.05984	1.8
119.03374	5.0
121.02853	2.0
123.08077	2.4
125.05975	18.2
125.09620	6.2
131.03470	1.8
135.04422	2.0
135.08044	3.9
137.05991	9.4
143.03482	1.8
151.11223	1.9
155.07039	2.0
163.11177	5.5
163.12483	1.6
165.12781	4.2
171.10150	2.2
177.12785	2.3
179.05545	4.6
181.12399	1.7
185.11760	33.8
197.11758	34.7
198.12350	2.3
209.11783	100.0
210.12122	7.2
221.11717	9.7
227.12840	13.9
227.16118	1.8
235.13443	4.0
239.12897	12.7
247.13498	3.6
249.14723	2.0
251.12926	11.3
257.13989	4.4
265.14523	7.4
287.16428	3.6
299.18658	4.8
305.17566	17.0
323.18665	14.9
341.10754	4.1
341.19662	30.4
342.19852	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	341.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10111	2.1
55.01764	3.9
57.03321	7.0
58.00492	3.2
58.67067	2.4
59.01256	40.2
61.01657	2.7
61.18942	2.4
61.37452	2.0
65.48103	2.4
69.03333	5.5
69.39427	22.1
71.01252	29.6
71.04892	21.4
73.02808	3.1
74.93520	2.3
81.03337	42.0
83.04896	31.0
85.02831	6.8
87.00768	3.0
89.02312	19.3
93.03344	23.2
95.01281	6.7
95.04922	7.8
97.02824	5.1
98.19778	5.0
101.02334	7.4
107.04877	2.9
109.02847	3.3
109.06483	10.8
111.04409	86.5
112.04010	2.7
112.04735	3.4
113.02353	9.9
118.80524	2.3
119.03400	3.0
122.03653	4.9
123.04411	12.9
123.08062	2.8
125.05923	2.2
125.09599	5.9
127.07554	3.7
127.11166	5.0
137.05977	21.2
137.09644	3.4
139.07585	5.8
141.09061	2.5
151.07573	60.4
152.07961	3.4
161.04427	3.0
168.00674	3.2
169.08617	26.4
171.10182	100.0
172.10489	4.7
179.05539	6.5
201.11282	34.0
209.11737	4.4
213.11273	22.8
251.12932	8.4
287.16412	6.5
299.18704	11.3
305.17728	7.2
323.18649	7.7
341.10974	4.9
341.19748	18.8
342.19916	2.5
354.84244	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	5.8
59.00948	5.1
59.01251	100.0
67.47044	2.8
69.81114	11.6
69.81533	5.8
71.01256	62.4
72.99171	3.8
73.02827	32.6
75.00747	3.3
83.01268	5.8
85.02829	14.6
87.00740	2.7
89.02320	28.3
89.88371	2.3
95.01263	5.1
96.76717	2.1
97.40695	2.6
99.00781	6.1
101.02324	29.9
109.02887	3.5
113.02334	29.5
119.03392	10.0
119.04907	43.9
121.02816	3.2
132.02971	5.9
134.03627	5.3
135.04427	58.4
137.02333	6.1
138.05531	28.2
151.00212	5.2
161.02336	7.6
161.04448	5.7
179.01851	3.3
179.03427	63.6
179.05478	6.9
179.06993	5.7
193.04958	6.1
195.05019	2.6
281.10275	13.2
299.11145	4.3
341.08963	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	341.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54162	0.3
54.32321	0.2
55.41286	0.3
57.03304	0.6
59.01003	0.3
59.01250	3.7
60.60759	0.2
65.00179	0.8
69.03305	0.4
71.01252	2.8
71.04857	0.6
71.15990	0.3
71.16330	0.6
81.02894	0.3
81.03336	5.5
83.01244	0.9
85.02821	0.7
85.37177	0.2
87.00671	0.3
89.02320	2.2
97.02801	0.4
99.08026	1.4
101.02319	1.3
101.05933	0.9
113.02321	0.9
119.03368	0.8
121.06487	0.4
123.08025	2.5
125.02335	3.8
125.05981	4.5
135.04434	0.3
136.05202	0.4
137.02345	0.3
141.09114	0.7
143.03424	0.4
145.24571	0.3
147.08038	0.7
149.02356	0.4
151.00226	1.1
152.01044	0.7
154.78049	0.2
156.10762	0.2
161.04486	0.4
165.09129	37.8
166.09489	1.6
167.07124	0.3
171.10187	0.3
179.05579	1.3
179.06944	0.4
191.07062	1.2
193.08643	1.2
201.11301	0.6
205.08629	0.5
209.08139	100.0
210.08458	4.6
215.07146	0.4
221.08240	0.3
222.08955	0.3
223.09705	1.5
233.08173	9.0
234.08467	0.5
251.09218	4.6
252.09653	0.4
263.09265	2.8
291.32715	0.3
341.12457	9.9
341.19696	0.8
341.23282	0.4
342.12967	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53371	10.0
53.26547	10.6
57.03307	15.8
58.00457	10.7
59.01257	98.5
63.02261	19.8
65.00189	46.3
69.44713	33.7
69.45135	62.1
71.01268	82.8
71.82156	9.9
75.00759	11.8
78.95786	18.0
80.89469	9.7
83.01250	24.3
85.02811	32.6
87.00726	14.7
89.02312	44.0
93.03343	65.9
95.01269	23.8
101.02309	26.4
101.46676	11.3
106.06510	56.7
107.01268	32.3
108.02070	17.9
109.02843	26.9
111.00804	15.7
113.02322	35.1
117.03309	12.8
119.03400	20.8
121.02844	21.0
123.04409	11.6
125.02326	36.2
135.04393	16.6
137.02345	26.0
139.00232	21.7
150.05550	25.8
151.00267	100.0
152.00906	13.5
161.02341	24.7
163.00252	16.5
163.09186	11.3
165.01825	38.3
165.09090	41.9
165.99011	15.2
169.01282	24.3
177.01854	15.3
178.99823	27.1
179.03384	10.1
179.05556	27.2
180.05991	11.6
188.03331	11.3
189.01959	16.1
191.95847	11.9
194.04477	32.3
209.11784	16.6
211.13358	13.4
222.03987	12.1
227.03407	20.8
251.12891	44.1
253.14401	13.2
255.02882	33.9
257.04422	14.1
269.04324	14.4
271.02301	16.0
282.04315	14.8
283.02402	26.7
284.03195	14.3
285.03989	18.1
286.04453	19.0
297.04083	12.6
299.02078	14.5
300.05402	17.9
301.03348	84.9
305.14111	15.4
314.03690	15.9
324.05161	23.1
341.04907	49.4
341.10867	13.4
341.15536	30.4
342.06201	78.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1088
Annotation	alpha,alpha-Trehalose
Peak:m/z	Relative Intensity
53.01254	0.5
54.33469	0.4
55.01762	1.3
57.03313	2.0
58.00463	3.9
59.01250	100.0
60.01587	1.1
61.56276	0.5
68.99666	0.4
71.01253	80.2
71.57591	0.5
72.01575	1.0
72.99180	4.3
73.02812	2.8
75.00752	1.6
83.01257	2.8
85.02821	10.4
87.00758	6.3
89.02316	99.6
90.02656	1.4
95.01266	4.1
97.02839	0.8
97.32548	0.5
99.00738	2.4
99.04374	0.5
101.02319	40.3
102.02681	0.6
107.03416	0.7
113.02327	31.7
114.66284	0.4
119.03383	36.8
120.03727	0.8
125.02315	1.3
129.01874	0.8
131.03400	4.9
133.01341	0.5
141.01823	1.2
143.03401	9.5
149.04489	3.8
161.04462	10.9
170.86401	0.5
179.05527	34.3
180.05861	1.6
203.05417	0.5
221.06606	0.5
273.25024	0.6
323.09766	3.2
341.10883	39.2
342.11218	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1087
Annotation	Trehalose
Peak:m/z	Relative Intensity
50.75410	1.0
51.70404	0.9
56.76172	1.0
57.03319	1.8
58.00463	3.6
59.01254	100.0
69.43406	2.2
69.43816	6.9
71.01256	66.2
72.99176	4.1
73.02799	2.1
78.32986	1.0
83.01276	2.8
85.02823	9.8
87.00755	3.8
89.02319	60.0
90.02663	1.2
95.01251	3.5
101.02319	25.7
113.02333	17.0
117.57378	1.0
119.03396	17.4
125.02335	1.1
131.03378	2.2
135.04443	9.9
143.03406	3.2
149.04454	1.6
161.04459	4.0
177.01775	0.9
179.03394	2.6
179.05544	15.0
180.00145	1.3
341.10980	11.5
364.80350	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0878
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
57.60017	0.3
59.01251	2.1
69.11495	0.4
69.51288	1.2
69.51720	2.0
71.01253	2.2
72.99156	0.4
75.00748	0.4
85.02818	0.7
87.00734	0.7
87.73867	0.4
89.02327	1.8
93.03327	0.4
101.02313	0.9
107.04913	0.8
109.02852	0.6
119.03402	0.7
119.04912	0.4
121.02840	0.4
121.74915	0.4
133.02805	0.7
134.03639	3.8
135.04420	99.9
136.04753	3.7
137.02357	1.5
151.00270	1.5
161.02365	0.5
179.03427	100.0
180.03770	4.1
193.05122	0.5
195.05212	0.4
209.04398	0.4
239.57411	0.4
276.65689	0.4
311.25513	0.4
341.08664	8.9
342.09222	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0878
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
57.29464	0.7
59.01248	4.0
66.42982	0.6
69.11586	0.7
71.01258	2.1
71.29897	1.5
72.99184	0.8
87.00729	0.9
89.02341	2.8
101.02350	1.4
107.04909	1.5
107.17654	0.6
110.39637	0.6
113.02364	1.3
119.03374	1.1
133.02875	1.8
134.03648	2.3
135.04427	100.0
136.04771	2.9
149.00850	1.7
150.03157	2.2
161.02388	1.3
177.01944	2.3
178.02234	1.4
179.03438	5.9
179.05513	1.2
209.04509	3.0
278.19269	0.7
341.08194	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.8
59.00994	0.6
59.01251	4.1
61.62464	0.5
69.50563	1.4
69.50961	4.7
71.01256	3.6
81.24561	0.6
85.02834	1.1
89.02303	3.0
98.20596	0.7
98.62734	0.7
101.02338	1.1
104.79945	0.6
107.04945	1.0
113.02329	1.1
121.02789	0.8
133.02840	0.9
134.03606	3.3
135.04413	94.3
136.04764	3.3
137.02318	1.1
150.03145	0.6
151.00261	2.1
161.02357	1.3
161.04420	0.8
175.00221	0.7
179.03419	100.0
179.06886	1.9
180.03798	3.9
193.05064	1.3
225.19601	0.7
293.22607	0.7
302.25659	0.7
341.04855	1.1
341.08603	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	339.2328
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
62.04207	0.5
70.15223	1.1
70.15588	2.8
90.62543	0.5
109.24467	0.5
159.48314	0.6
163.11198	100.0
164.11517	3.5
275.61084	0.6
339.23291	61.3
340.23553	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83070	0.3
57.12119	0.4
64.56403	0.4
68.92191	0.3
69.62563	0.4
81.46407	0.4
112.94334	0.4
121.01327	0.4
123.45290	0.4
126.62449	0.5
146.77774	0.4
163.11203	66.6
164.11537	2.7
178.56996	0.4
179.58412	0.4
183.01155	16.5
184.01836	1.6
197.02769	0.8
216.00984	1.0
229.30081	0.5
238.00426	0.4
339.19852	26.9
339.23322	100.0
340.20151	2.9
340.23666	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	339.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94681	0.6
59.01252	100.0
60.01579	0.9
67.52248	0.5
70.96482	1.0
76.02198	0.5
79.01605	0.5
99.79660	0.5
146.94281	0.5
160.86385	0.6
163.11221	1.5
183.01202	1.9
261.53473	0.6
279.23251	6.8
297.24341	39.6
298.24576	2.6
339.16635	0.9
339.19934	4.3
339.25449	8.3
340.26007	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03357	0.3
59.01253	100.0
60.01590	1.0
69.36886	3.7
71.01254	0.9
74.02354	0.9
75.00734	0.5
75.01836	0.4
83.70872	0.4
85.02853	1.0
98.19881	1.3
98.20556	0.8
100.66171	0.4
113.02341	0.6
135.04436	0.8
135.08080	0.6
145.40601	0.4
161.02365	1.0
167.87590	0.4
297.17212	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03357	0.3
59.01253	100.0
60.01590	1.0
69.36886	3.7
71.01254	0.9
74.02354	0.9
75.00734	0.5
75.01836	0.4
83.70872	0.4
85.02853	1.0
98.19881	1.3
98.20556	0.8
100.66171	0.4
113.02341	0.6
135.04436	0.8
135.08080	0.6
145.40601	0.4
161.02365	1.0
167.87590	0.4
297.17212	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	2.4
57.98315	1.0
59.01241	3.3
69.03307	1.3
71.04894	36.0
71.59258	1.7
71.59666	1.6
73.02823	1.4
74.85164	1.0
81.03342	2.2
101.02331	1.0
111.08027	1.3
117.56007	1.0
123.08068	1.2
125.09596	3.5
127.11179	1.7
135.08037	2.4
137.05898	1.8
151.11171	3.3
152.08334	3.4
153.09145	2.0
163.11206	1.4
167.10664	3.7
171.10185	100.0
172.10539	4.2
193.12221	1.6
215.08733	1.1
225.15007	1.5
233.15312	3.9
237.14903	1.5
241.14478	1.5
247.13283	1.4
249.14854	4.0
265.18121	2.5
289.18054	3.8
306.18405	4.4
321.20676	41.8
322.20908	5.1
330.34695	1.0
337.09961	1.0
339.21640	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	339.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	5.2
67.01270	1.8
71.01252	2.7
79.52660	1.9
97.06475	2.5
101.05998	3.6
121.02850	3.8
137.02345	2.0
139.11116	2.3
147.04417	3.5
155.10710	7.0
161.20253	1.8
178.09908	6.3
183.01102	14.7
191.14171	1.7
209.15201	2.6
219.13847	2.3
229.35677	2.3
235.13385	5.7
237.14940	100.0
238.15320	8.0
253.14494	5.9
295.09711	2.9
295.26498	2.1
303.19626	5.0
321.20697	78.5
322.20938	7.9
339.08725	4.5
339.16296	11.7
339.20517	7.1
339.25360	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	339.181
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72450	6.1
57.03321	9.9
58.31453	5.5
59.01253	41.7
68.30962	6.2
69.03313	18.1
71.01239	8.9
71.04892	19.7
71.59323	11.7
71.59672	8.5
78.33792	6.9
81.03338	53.6
83.04887	41.0
84.54583	6.0
84.81056	8.4
85.02812	15.3
87.04382	6.6
95.01217	6.5
95.04895	12.3
97.02811	17.9
97.06473	6.5
99.04404	100.0
107.04913	7.6
108.02069	21.3
109.02845	9.1
111.04408	19.3
121.02847	19.3
121.06492	9.1
122.03624	30.0
123.04380	18.2
125.09571	12.0
135.04449	15.0
137.05983	27.3
147.19667	6.9
149.05991	38.6
153.09227	7.0
155.10718	9.1
167.07037	20.1
171.10185	76.2
177.01831	10.0
177.12802	8.1
178.06247	27.0
180.93910	7.2
186.36884	6.1
191.14401	14.4
193.12305	31.9
199.13374	17.3
203.14070	6.8
205.12277	13.5
209.15327	8.4
235.13409	70.4
240.90100	6.7
247.13358	7.9
249.11217	15.5
250.11993	13.8
253.14412	94.5
254.14839	8.5
254.88974	6.7
262.08041	6.0
265.14398	13.7
285.15045	12.3
297.17181	12.8
303.16086	38.3
321.16898	40.1
339.18130	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	339.166
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14342	2.1
59.01254	100.0
62.37663	2.3
69.72350	8.5
69.72778	8.1
71.01256	13.0
73.02821	4.3
85.02821	5.2
89.02358	3.5
98.19880	4.5
99.00767	5.1
101.02344	8.8
109.02842	11.8
113.02368	5.1
125.02379	4.3
128.46529	2.5
133.02878	8.7
135.04408	16.1
146.03578	2.6
147.04431	18.8
148.05231	9.4
149.05986	26.5
159.04439	4.4
161.02390	12.8
161.04457	6.2
161.05994	9.7
163.03996	6.3
173.06018	5.1
174.03102	4.8
175.03943	15.5
176.04652	5.1
177.01872	26.1
177.05461	3.6
185.04514	3.1
189.05515	19.5
191.03401	5.0
191.07115	11.3
198.39087	2.2
203.07033	3.0
207.06631	5.3
217.05013	14.8
219.03008	7.7
221.04562	4.9
235.06145	13.7
237.04062	7.8
277.07162	4.3
279.05133	6.0
279.14459	15.6
295.08209	9.1
339.07208	20.0
340.07602	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	339.16
Annotation	16beta-Hydroxy-3,11-dioxopregna-4,17(20)-dien-21-oic acid, gamma-lactone
Peak:m/z	Relative Intensity
52.95380	1.1
56.87337	1.1
59.01245	4.0
69.31297	12.8
79.95614	2.8
83.78580	1.2
89.29771	1.2
149.05983	2.5
154.46681	1.3
163.11154	3.1
178.09196	1.3
183.01140	34.5
184.01501	1.6
197.02713	25.2
201.99217	1.4
208.86588	1.2
211.04259	3.4
225.09155	70.6
226.09467	5.1
230.02406	2.0
237.09178	16.6
238.09425	1.5
239.07394	1.5
239.10713	1.4
257.21182	1.5
293.88031	1.2
295.13687	2.7
295.17010	51.5
296.17242	4.1
338.95651	1.3
339.15921	75.8
339.19940	100.0
340.16254	8.3
340.20255	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	339.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35171	0.9
59.01251	100.0
69.74306	6.7
71.01250	6.0
72.25153	1.0
73.02802	2.0
85.02830	3.5
87.00700	1.1
89.02320	1.5
93.03362	1.5
101.02312	4.0
106.50504	1.2
113.02311	2.2
119.04903	1.4
133.02820	1.1
135.04359	1.5
137.02322	1.7
146.95494	1.0
150.05446	1.0
161.04510	2.4
163.03902	1.7
175.03915	1.4
177.05431	1.2
207.06476	1.7
279.14566	4.7
286.23450	1.3
288.39700	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1238
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
50.38341	0.8
55.85511	0.7
59.01251	3.7
66.92252	0.7
69.40771	3.1
69.41197	4.7
69.98602	0.9
71.01266	1.0
95.04906	1.7
98.19847	1.7
104.37993	0.8
119.04905	1.2
123.04372	1.0
125.09613	1.4
129.87697	0.9
135.04410	1.0
145.02863	3.2
161.05956	1.7
163.03958	1.9
171.10222	0.9
179.08575	1.2
191.08621	1.5
207.08098	2.9
209.11775	2.2
217.06575	2.0
218.07347	1.6
219.08066	3.1
220.05292	1.2
221.06027	3.6
223.07590	1.1
224.08250	0.9
225.05283	1.0
225.09230	2.0
225.11243	1.7
233.06081	2.0
233.10974	1.1
234.06766	2.4
235.07576	9.0
236.08186	1.1
237.05557	1.0
237.09131	2.8
239.07190	1.2
245.06094	3.0
246.06894	2.9
247.07661	3.0
251.07159	1.8
253.08690	7.0
262.06308	2.6
263.07138	22.1
264.07678	4.2
265.08698	2.5
267.09933	1.0
268.11087	1.5
273.05685	1.4
274.06140	1.1
275.07245	1.8
276.07840	1.5
280.07394	3.5
281.08191	35.6
282.08585	2.4
290.05756	1.2
291.06604	9.1
292.07242	2.7
293.08188	11.5
294.08966	3.5
295.09729	1.7
296.07300	0.9
296.10526	4.6
298.02771	0.8
301.11441	0.8
303.16071	2.8
307.09827	3.0
308.10495	6.2
309.07700	100.0
309.10852	4.0
310.08038	8.7
321.17105	3.6
323.09262	21.1
324.10010	50.1
325.10361	4.5
339.12381	37.2
340.12756	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	339.1235
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
61.39820	0.6
69.56783	0.7
69.92788	3.4
71.89361	0.7
89.34160	0.6
98.20444	1.2
102.22527	0.7
104.84570	0.6
115.68256	0.6
133.02855	1.1
145.02849	4.9
146.03651	0.9
159.04439	1.0
163.03867	2.1
179.07086	1.4
179.08554	1.8
180.05664	0.8
184.30186	0.7
185.02286	0.8
188.04645	1.0
191.08640	1.7
193.06512	1.9
195.08060	0.9
203.07091	1.2
205.06487	1.0
207.08090	4.3
217.06549	4.1
218.07198	1.9
219.08119	3.6
220.05139	1.4
221.06075	3.3
222.06769	0.7
223.07645	1.9
224.04744	1.4
225.05531	1.7
225.09157	2.5
233.06049	2.7
234.06789	1.6
235.07596	9.8
236.07985	1.1
237.05505	0.8
237.09203	1.7
238.06200	0.7
239.07135	2.1
245.06136	3.3
246.06851	3.4
247.07707	4.0
251.07048	2.6
252.07828	1.7
253.08644	6.3
261.05539	0.9
262.06360	3.5
263.07114	26.1
264.07675	4.1
265.08636	1.8
267.10034	0.9
268.11023	2.7
273.05496	2.3
274.06104	1.5
275.07224	3.3
276.07724	0.8
279.06555	1.3
280.07449	2.8
281.08182	38.7
282.08667	4.2
290.05814	1.3
291.06644	10.3
292.07327	3.3
293.08151	11.6
294.08881	2.9
295.09702	1.4
296.10571	4.5
306.08786	1.0
307.09821	2.9
308.06964	1.7
308.10562	7.0
309.07681	100.0
310.07974	9.3
323.09232	23.0
324.09995	62.6
325.10324	6.8
339.12360	47.2
340.12631	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59250	3.6
59.01251	38.4
69.03324	6.1
69.30460	39.8
71.01247	15.1
78.10899	3.4
81.49757	3.3
83.01260	5.9
85.02839	5.8
89.02319	10.0
97.02866	3.4
99.68311	3.3
101.02319	9.7
101.90523	3.7
109.02840	49.1
111.00746	4.5
121.06483	3.6
124.01571	5.1
125.02353	22.9
129.01825	4.1
132.02901	4.9
133.02849	32.1
135.04407	45.5
145.02815	8.9
146.03635	12.3
147.04428	76.6
148.05180	30.4
149.02419	7.4
149.05998	100.0
150.06250	5.5
151.03952	3.9
159.04407	18.8
160.03944	18.6
161.02367	47.7
161.06001	39.1
163.03932	13.6
163.07571	5.9
170.50967	3.6
171.04524	4.8
172.05205	4.3
173.02356	5.5
173.06044	21.9
174.03123	14.7
175.03917	80.7
176.04610	18.0
177.01839	43.1
177.05435	10.2
178.04987	7.0
179.03413	7.9
185.04485	12.8
187.03873	5.5
188.04716	3.6
189.05527	63.0
190.05846	4.0
191.03496	16.5
191.07079	49.9
193.04999	14.7
203.07042	15.4
205.04987	13.6
207.06589	9.2
215.06879	4.3
217.03008	7.0
217.04984	68.3
218.05298	4.7
219.02997	31.6
221.04549	23.0
235.06081	57.6
237.04027	34.9
247.06125	8.0
251.09160	5.3
277.07175	14.9
279.05124	33.5
295.08218	36.4
314.49524	4.3
339.07187	91.2
340.07367	5.9
344.46722	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	339.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	23.7
60.11042	0.7
64.96160	0.8
68.99678	1.1
69.03330	88.7
69.68782	4.1
69.69205	1.5
70.03665	2.2
71.01251	1.7
79.01760	5.6
81.03327	2.5
83.01290	0.8
85.02832	3.6
87.00766	0.9
93.03320	1.2
95.01260	8.6
95.29132	0.7
97.02833	51.7
98.03154	1.6
98.20106	2.8
107.01268	10.2
108.01369	1.3
108.02059	17.9
109.02839	30.2
113.02333	2.4
117.67619	0.8
121.02863	6.6
123.00783	10.9
123.04388	1.7
125.02341	62.9
126.02651	1.4
133.02805	2.8
134.03690	1.1
135.00751	2.7
135.04404	2.8
136.01537	3.0
137.02348	6.2
145.02933	1.2
147.04427	1.7
149.02339	12.2
151.00291	15.9
151.03889	1.2
152.00865	1.2
153.01845	100.0
153.34987	1.0
154.02182	3.2
161.02425	1.4
163.03877	3.7
167.03392	1.6
175.03835	0.9
177.01848	6.8
179.03432	0.9
191.03337	0.9
195.02948	2.4
219.03040	1.1
225.22302	0.8
228.52650	0.9
279.05127	15.0
280.05585	0.8
297.06174	29.3
298.06543	2.2
338.28931	0.8
339.07202	17.4
339.11517	1.3
340.07629	1.2
350.04324	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0873
Annotation	Piperphilippinin IV
Peak:m/z	Relative Intensity
52.07012	2.6
59.01247	8.7
64.20728	3.0
119.04929	4.3
121.02853	66.1
122.03249	4.4
147.04422	100.0
148.04811	4.5
163.11281	3.0
177.01848	3.3
183.01141	10.0
193.10172	57.2
194.10477	4.8
207.08113	8.0
207.11743	10.7
221.09836	6.1
223.07567	8.7
229.49722	4.4
251.07066	20.0
251.10730	25.8
295.09735	86.5
296.10107	8.4
339.08755	94.0
339.16269	11.7
339.19733	5.8
340.09045	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	338.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97554	8.6
69.74119	58.7
78.95762	8.8
85.10872	8.9
97.88067	8.7
117.85555	9.5
119.07751	8.7
119.46256	9.3
130.08641	100.0
147.24008	9.4
186.27768	9.5
223.20264	10.3
274.57288	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	339.0722
Annotation	4-O- beta -D-glucosyl-daphnetin
Peak:m/z	Relative Intensity
50.52696	0.3
59.01247	2.4
65.00201	1.2
65.03825	1.4
67.01758	1.2
69.80367	0.4
70.01175	1.9
71.01255	0.8
75.00739	0.5
80.02559	0.7
91.01772	58.7
92.02100	1.6
93.03362	0.4
94.09871	0.4
98.19943	0.8
98.20541	0.5
108.02048	0.9
109.02840	16.4
110.03178	0.4
112.76375	0.3
113.02354	0.4
121.02853	1.1
123.04413	1.0
133.02863	1.2
135.00780	100.0
136.01051	3.1
137.02341	3.3
146.62898	0.3
148.01613	0.3
149.02333	1.5
151.03876	0.4
153.01843	66.1
154.02231	2.2
160.23836	0.3
161.02322	1.8
175.03938	0.5
177.01842	1.6
177.05473	0.4
189.01831	1.2
195.06648	0.6
196.21492	0.3
241.55841	0.3
269.11172	0.5
279.05161	1.6
297.06165	1.0
309.07678	0.6
339.07220	24.1
340.07477	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28638	0.2
59.01241	1.0
70.07896	0.4
70.08287	0.5
72.29024	0.2
81.03310	0.4
89.03836	1.5
104.02579	0.6
105.03342	3.2
109.02840	0.3
121.20339	0.2
125.02296	0.2
133.02858	8.2
134.03198	0.3
135.04427	0.5
147.04462	0.3
148.01563	0.5
149.02353	0.8
149.06009	0.4
161.02371	0.4
175.03943	0.5
176.01099	1.5
177.01857	100.0
178.02196	4.8
202.14014	0.2
204.39635	0.2
217.04803	0.3
295.08270	0.3
339.07196	11.4
340.07529	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	12.5
71.01253	41.7
71.49390	8.7
85.02835	3.5
88.03909	6.9
90.55902	3.2
93.03332	4.1
98.11599	3.6
98.69772	3.2
106.18169	3.2
114.01855	56.8
115.00251	57.5
119.04836	4.9
120.05289	3.7
121.02799	11.3
124.30668	3.6
132.02905	23.2
143.06026	11.8
147.01062	3.5
147.04359	6.3
149.02341	80.1
151.03957	3.6
153.05402	7.3
161.07109	29.8
163.03928	4.4
164.04701	81.5
173.04376	5.3
177.01814	9.1
179.07065	78.2
190.02585	7.0
192.06563	4.9
202.04964	8.2
204.07675	15.0
205.04959	13.9
206.08270	4.2
207.06708	5.4
217.07443	4.1
222.07646	38.3
223.06062	55.2
227.67636	3.6
230.09344	6.8
272.10468	4.9
276.08780	19.4
294.09811	15.4
330.40414	3.6
333.85410	3.5
338.08823	100.0
339.09158	7.7
364.16577	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	338.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	3.8
60.01579	0.6
70.97420	0.8
70.97798	0.3
71.01250	5.6
72.00761	0.6
88.03913	27.0
88.19064	0.3
89.04240	0.5
98.54075	0.3
114.01857	4.7
115.00251	11.8
121.02836	1.4
132.02919	100.0
133.03299	2.0
149.02339	9.5
150.02745	0.4
163.03893	0.4
164.04694	8.3
175.00330	0.8
176.01109	0.9
177.01843	7.6
179.07047	4.9
181.99770	0.3
190.02591	1.6
205.05058	1.5
207.06592	0.7
220.06059	0.4
222.07631	0.7
223.06079	2.7
232.09781	0.3
248.08958	0.4
276.08795	0.7
294.09726	0.9
338.08844	5.2
339.07309	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	4.5
106.04128	0.9
106.16717	0.4
113.33327	0.4
123.04406	1.6
131.04921	1.8
132.05725	3.3
133.06487	100.0
134.06824	4.6
139.80350	0.4
141.22499	0.5
216.08926	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.7
59.01250	100.0
69.76996	1.3
70.36061	4.9
71.01244	3.4
85.02814	2.5
88.46780	1.2
93.03322	2.9
95.01300	1.2
101.02328	1.5
119.04903	4.3
123.17749	1.3
125.02302	2.2
153.01834	2.0
163.03896	5.2
166.99715	2.1
169.01299	2.4
173.04440	3.0
181.01468	1.4
191.05493	7.8
216.18585	1.5
217.01369	1.7
245.00832	1.5
261.03992	2.1
273.00244	2.4
274.01794	2.0
281.82413	1.3
305.02924	2.4
314.72189	1.4
337.05554	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	337.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01583	1.1
62.36248	0.9
71.01254	3.9
85.02815	7.3
88.03889	5.6
93.03307	1.8
114.01852	2.5
115.00253	3.0
119.04885	4.4
132.02922	22.4
135.04379	1.3
149.02333	3.8
163.03987	5.0
163.65205	1.0
164.04626	3.2
179.07001	3.5
191.01860	2.5
191.05540	2.0
223.06169	1.1
229.58495	1.2
233.10086	1.1
280.00583	1.4
287.06720	1.2
308.10172	1.1
324.37656	1.1
325.82309	1.0
338.08640	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	337.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99417	0.8
56.50266	0.8
57.03317	1.3
59.01254	100.0
60.01591	1.1
63.35110	1.1
69.74329	2.4
69.74755	4.5
71.01245	1.8
72.99174	0.9
77.03994	1.0
79.62054	1.0
83.01241	1.0
85.02843	5.5
89.02357	0.9
97.48057	0.9
101.02349	1.3
109.02838	1.2
111.00820	1.0
119.04927	1.2
135.04364	1.3
145.02818	1.4
177.02065	1.1
205.05147	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50369	2.2
58.00456	3.3
59.01250	93.8
68.82637	2.3
70.92641	4.9
71.01253	48.3
71.78622	2.2
72.99180	4.9
82.88270	2.2
83.01249	4.5
85.02837	10.8
87.00718	3.0
88.70973	2.2
89.02316	50.9
95.01262	7.0
101.02328	30.0
106.65314	2.7
111.00746	2.7
113.02345	18.0
119.03395	26.3
123.00735	2.8
125.02319	6.9
138.78079	2.1
139.07579	2.5
143.03394	3.0
153.01723	5.1
157.08641	5.9
161.02344	4.0
166.99756	7.3
169.01331	9.4
177.72389	2.4
179.05588	5.6
181.01358	8.4
183.02892	7.0
185.00841	3.1
217.01462	5.3
218.02107	3.0
229.01321	2.9
245.00905	7.4
261.04022	5.4
264.77414	2.4
273.00415	13.1
274.00662	2.6
277.03427	3.4
286.43839	2.3
303.91550	2.4
305.02972	14.6
337.05762	23.7
337.15021	100.0
338.15384	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2384
Annotation	Sterebin N
Peak:m/z	Relative Intensity
54.61432	2.2
57.03333	11.5
59.01263	11.3
68.04537	2.0
69.26868	11.3
69.27295	11.7
71.04910	5.0
77.37762	2.1
78.95774	6.6
79.38623	2.2
80.73082	2.1
83.04890	7.6
85.06477	6.1
85.11165	1.9
87.04401	3.1
109.06464	4.0
111.04353	2.1
111.08044	2.3
111.70810	2.1
195.13872	3.3
207.17453	7.4
223.16971	37.3
224.17447	2.6
229.73248	2.6
233.15428	4.1
243.21178	2.4
245.18900	2.5
249.18558	48.4
251.16479	23.9
255.23206	3.4
261.18542	2.7
263.19974	2.9
267.19461	10.2
279.19830	4.0
301.21780	8.4
309.24533	2.6
319.22784	92.8
320.23145	9.9
327.43945	2.7
337.23856	100.0
338.24142	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	337.0929
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
57.92496	1.1
59.01251	100.0
60.01557	1.4
69.29525	3.8
69.29945	8.9
71.01250	5.7
73.00546	0.9
73.02821	15.2
85.02834	1.2
101.02323	1.2
103.03898	3.4
103.05644	1.0
113.02298	1.1
114.37249	1.1
119.04918	27.9
120.05296	1.5
131.03400	37.4
145.02846	3.1
163.03923	17.3
191.05548	52.6
211.44121	1.2
331.14478	1.1
345.43289	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66679	0.7
53.99124	0.6
58.02838	1.3
59.01231	0.6
60.14491	0.6
69.81551	1.1
69.81969	2.3
91.08088	0.6
98.20525	1.0
111.94173	0.6
126.05563	0.8
145.02838	1.1
146.08083	2.9
161.02354	1.1
162.03136	1.2
169.06598	0.7
170.03630	1.1
170.08115	0.9
175.00272	2.1
177.05511	3.9
180.05669	0.9
181.06549	0.7
181.46425	0.6
195.08034	2.8
205.06570	0.9
206.07353	2.2
207.08067	5.7
208.05249	0.9
217.06520	1.2
218.07112	0.7
219.08165	1.0
221.06041	1.0
222.06709	1.6
223.07628	4.5
233.06091	2.0
234.06816	4.3
235.03960	2.1
235.07602	12.7
235.67044	0.6
236.04880	0.9
236.07806	0.6
237.05542	3.5
247.17119	0.6
248.04599	0.7
249.05563	1.1
250.06317	1.9
251.07127	12.3
252.07399	1.0
254.47839	0.6
261.05496	1.2
262.06354	2.0
263.07104	6.6
264.07620	0.9
265.08792	0.6
266.09433	5.4
277.05008	1.1
277.08908	0.9
278.05859	2.6
279.06619	83.9
280.06891	7.0
289.04861	1.3
290.05777	2.7
291.06625	36.8
292.07327	9.6
293.08051	3.2
294.08972	7.6
305.08176	5.0
305.15945	0.6
306.08939	27.5
307.06137	100.0
307.09509	7.0
308.03018	1.1
308.06427	9.9
321.04071	1.1
321.07675	14.5
322.08438	56.2
323.08801	4.8
337.10800	50.5
337.14969	1.1
338.11044	4.3
338.19711	1.5
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	Unknow
Peak:m/z	Relative Intensity
59.01234	2.7
60.85703	0.8
65.36155	0.8
71.35699	1.3
71.36026	0.8
73.21171	0.7
84.43510	0.9
131.03679	0.9
133.02847	0.9
143.66101	0.9
145.02791	1.4
152.99509	1.4
161.02304	1.2
162.03058	1.8
170.03635	1.1
177.05441	3.7
179.08569	0.9
181.06520	0.9
195.08043	2.8
202.88930	0.9
205.06590	0.8
206.07286	2.6
207.08044	5.2
208.05225	0.9
209.05997	1.5
217.06667	1.2
219.08144	1.0
221.05997	2.0
222.06732	2.1
223.07527	5.5
224.07692	0.8
233.05992	2.0
234.06787	5.4
235.03951	2.9
235.07623	12.0
236.04692	0.8
236.07846	0.9
237.05634	2.0
249.05627	1.0
250.06339	3.3
251.07144	10.5
252.07407	1.3
261.05533	2.3
262.06345	2.4
263.07126	9.3
264.07669	1.7
266.09460	4.5
273.22247	1.1
278.05914	3.5
279.06604	92.3
280.06940	7.0
289.05090	1.6
290.05740	2.3
291.06635	36.3
292.07336	9.7
293.08109	3.1
293.24921	1.3
294.08981	9.7
295.69336	0.8
305.08258	4.3
306.05783	0.8
306.08939	26.7
307.06134	100.0
307.09512	7.6
308.06451	8.5
321.07681	18.7
322.08423	54.5
323.08759	4.7
337.10797	45.4
338.11026	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	337.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46627	5.9
59.01246	84.6
64.77087	5.1
64.82020	5.8
69.03349	7.0
69.92036	23.2
69.92450	11.3
71.01262	52.8
72.99195	11.5
74.06556	5.0
81.03365	5.9
83.01267	10.3
83.11707	5.2
83.63316	5.1
85.02827	18.7
87.00721	8.0
87.70981	5.3
89.02312	54.2
93.03331	8.9
95.01269	20.5
97.02834	17.4
99.00759	12.2
100.55440	5.0
101.02319	29.4
101.47456	6.4
109.02836	18.5
111.00742	23.0
113.02314	21.7
119.03391	25.3
119.04909	7.2
121.02861	11.4
123.00759	22.0
124.01546	5.4
125.02346	63.2
125.47088	5.9
127.00251	14.0
133.02850	7.8
135.04396	8.0
137.02350	28.3
139.00278	35.5
139.07475	6.7
141.01846	19.4
145.02834	14.0
149.02318	14.2
151.00223	9.5
151.03940	13.0
153.01851	64.5
154.99730	15.6
155.03403	7.7
161.02328	17.1
163.00269	8.2
163.03934	13.5
165.01805	9.8
166.99774	24.1
167.03384	10.7
169.01285	26.6
171.02895	25.9
173.02354	16.1
177.01828	10.4
179.03392	7.3
181.01350	37.1
183.02927	50.5
185.00766	10.8
185.02319	6.0
189.01849	19.4
190.02631	9.5
191.03404	20.9
191.05200	6.9
201.01953	14.6
205.04993	8.3
217.01335	58.2
218.02151	13.7
221.04514	7.3
225.03780	6.0
229.01352	23.2
229.05086	6.5
233.04555	20.1
235.02267	5.8
245.00922	41.8
245.03340	6.3
245.04132	5.1
246.01601	12.7
249.03938	18.2
261.04050	26.7
272.77762	6.1
273.00366	60.7
277.03519	9.9
301.03378	10.2
303.79492	6.7
305.03061	58.7
319.04529	10.7
334.73013	6.8
337.05640	100.0
337.15015	64.3
338.05978	9.2
338.15683	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	337.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.0
59.01250	2.4
68.99692	2.9
70.18265	1.9
70.68929	0.5
71.01263	3.1
73.02813	0.9
75.00755	1.6
77.67026	0.5
83.01254	1.3
85.02836	5.7
87.00743	2.3
89.02312	0.8
95.01259	1.0
97.02828	0.8
99.00787	3.5
101.02334	2.0
111.00771	1.7
113.02351	4.2
113.99479	16.1
115.00287	5.7
127.00294	2.6
129.01846	2.2
157.01353	3.2
160.28520	0.7
171.77245	0.6
174.01604	12.1
175.02341	1.3
212.37299	0.6
234.25006	0.5
265.74490	0.5
277.05670	19.6
278.06131	0.5
311.10220	0.5
314.90677	0.5
336.49069	0.6
337.07788	100.0
338.08099	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	337.0775
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
53.08391	1.1
55.01762	1.6
57.03317	2.0
59.01252	6.5
61.82958	1.4
68.99670	3.3
69.03281	1.5
70.27971	5.0
71.01260	7.7
72.99184	1.2
73.02815	1.9
75.00746	3.5
78.95775	4.4
80.72584	1.1
83.01257	2.9
85.02847	9.2
87.00748	4.8
89.02325	8.1
95.01265	1.8
95.92844	1.1
96.96833	1.2
99.00776	7.0
101.02309	3.2
111.00751	3.8
111.01894	4.1
111.33054	1.0
113.02327	8.4
113.99472	23.3
115.00262	10.9
123.43587	1.0
127.00224	5.4
129.01784	3.6
131.03368	1.3
133.01328	5.0
149.04477	15.8
150.79782	1.2
157.01329	7.9
174.01605	20.8
175.02135	2.0
211.55937	1.0
277.05646	26.3
337.07751	100.0
338.08029	7.1
340.71078	1.4
357.67294	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2545
Annotation	Melophlin H
Peak:m/z	Relative Intensity
59.01244	0.4
60.12099	0.3
66.37241	0.2
72.04413	2.8
73.91718	0.2
74.02344	100.0
75.02674	0.9
76.08297	0.2
84.04424	0.4
98.20557	0.6
129.70168	0.2
158.06950	0.2
183.01154	0.4
184.81717	0.2
195.80109	0.3
229.53415	0.3
255.23216	0.3
283.54202	0.3
292.26456	0.4
324.68866	0.3
336.25436	41.2
337.18555	1.5
337.25821	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	337.0203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	6.3
64.55724	2.5
69.03335	4.9
70.75318	7.0
70.75670	5.4
71.01245	4.7
71.30545	2.6
95.01262	10.2
97.02837	7.8
111.00792	24.7
119.04855	4.9
123.00772	13.3
125.02335	63.5
126.02666	3.1
137.02319	3.3
139.00269	44.8
141.01820	10.8
146.86926	3.0
153.01859	8.0
160.99449	3.0
163.03911	7.0
165.01842	3.7
166.99773	100.0
168.00354	3.1
169.01338	85.1
170.01698	4.7
185.00848	70.2
186.01154	4.5
191.03644	3.6
224.62241	3.4
250.69972	3.2
289.31601	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	337.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	10.3
59.01254	13.0
64.72047	6.5
66.69721	6.3
69.03306	6.4
69.09953	6.8
71.01257	8.3
71.14409	16.9
78.76189	7.2
81.03323	8.1
83.01244	8.4
85.02818	23.3
89.54938	5.8
93.03331	7.5
95.01257	10.3
97.02843	15.9
99.00744	15.1
108.24943	7.4
109.02814	32.6
111.00748	50.8
121.02854	8.3
123.00774	20.2
125.02330	99.6
127.00264	20.2
135.04349	9.0
137.02344	34.2
139.00249	65.7
139.03900	7.4
141.01814	38.8
145.02956	7.8
149.02408	8.6
151.03896	9.4
153.01846	100.0
154.99796	44.6
161.02319	13.0
165.01837	53.5
166.99805	36.6
167.03439	8.8
169.01343	50.4
177.01920	45.3
179.03383	18.8
183.02927	13.6
185.00864	31.9
185.88988	7.3
189.01854	8.5
190.02637	7.6
191.03404	23.8
193.01366	20.6
197.04407	11.6
207.02881	8.1
209.04575	11.1
217.01215	10.4
219.02974	15.4
229.60982	7.5
233.04521	15.9
257.04620	9.2
273.03995	10.2
298.99048	7.3
319.04645	24.2
337.05524	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	3.6
57.03329	19.1
59.01256	5.2
61.78301	1.1
67.01771	1.3
69.42087	6.6
69.42494	2.1
69.89020	0.9
71.01259	9.0
72.99189	1.5
73.02827	2.7
74.52287	0.8
75.00764	3.0
83.01260	11.4
84.02049	3.0
85.02826	100.0
86.03165	1.5
87.00806	1.5
99.00764	1.6
99.07430	0.8
101.02338	5.0
106.06506	1.6
111.00770	29.0
113.02302	1.4
115.58182	0.9
122.06007	1.8
125.02296	1.0
129.01839	40.3
129.09109	13.2
132.04456	0.9
134.03590	1.5
135.04419	1.0
138.05521	2.3
139.05902	1.3
140.06071	1.1
159.02997	1.0
161.04466	2.2
203.10735	1.2
205.03484	22.7
206.03851	1.4
214.07135	0.9
223.04521	5.9
231.10225	1.5
289.11945	2.0
290.12393	1.3
291.12546	15.6
293.09891	0.8
299.82703	0.8
342.26355	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00214	1.0
55.01756	5.9
57.03324	22.9
59.01250	6.5
69.66017	3.7
69.66445	3.1
71.01242	10.0
72.99164	1.9
73.02823	2.5
75.00740	2.9
83.01257	11.7
84.02045	2.8
85.02823	100.0
86.03156	1.0
98.20573	1.4
99.00780	1.1
101.02316	5.8
101.59135	1.0
111.00764	28.8
113.02337	1.5
129.01825	38.3
129.09103	15.8
135.04413	3.0
149.06006	2.4
152.01083	1.4
159.04485	1.1
161.04550	1.8
161.05910	2.2
171.04436	2.9
174.03180	1.1
175.03915	1.2
175.07555	3.5
187.02318	2.1
187.07523	1.9
189.05498	11.2
189.09181	1.9
190.05870	1.2
197.11603	1.2
203.07014	2.8
205.03500	20.7
214.06268	1.1
215.07074	1.6
223.04500	4.9
230.09451	24.2
231.09970	2.3
241.12372	1.4
243.10124	1.5
259.13379	27.3
260.13705	1.6
278.70081	1.0
285.11255	2.2
291.16025	12.3
303.12305	2.7
317.13873	1.5
335.14911	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	335.2226
Annotation	11-deoxy-PGE2
Peak:m/z	Relative Intensity
125.02333	0.2
139.73454	0.2
140.01071	0.2
151.00298	0.2
153.01810	0.2
155.16718	0.2
183.02898	2.4
207.88779	0.2
220.15108	0.2
258.29672	0.2
317.03183	0.3
335.22256	100.0
336.22614	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	335.0773
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
55.70650	0.6
59.01255	3.3
69.61361	1.5
69.61777	3.6
71.01257	1.2
71.64803	0.5
73.02821	2.5
75.71181	0.5
81.03350	0.9
83.04906	1.8
85.02827	0.9
87.00793	0.8
93.03343	11.3
94.03722	0.6
94.62792	0.5
99.00749	1.6
99.04438	0.7
107.04902	1.8
109.02824	1.0
109.34804	0.6
111.00761	0.7
111.04390	4.2
113.02326	0.9
117.03285	0.6
125.02326	0.8
132.02003	0.5
133.02855	8.1
134.03641	4.5
135.04416	100.0
136.04741	3.9
137.02348	5.6
149.62624	0.6
153.01875	0.8
155.03398	1.9
161.02348	22.4
162.02684	1.2
173.04509	2.1
179.03423	74.5
180.03819	3.0
193.01233	0.7
203.12872	0.7
257.07898	0.5
317.02994	0.9
335.03857	0.9
335.07733	13.7
335.20630	3.4
336.08032	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10811	3.2
55.29976	3.4
57.03325	16.5
59.01258	19.6
63.02271	6.0
63.23048	3.3
65.00196	22.6
67.01772	4.8
68.99688	8.6
69.03315	3.4
69.52896	25.8
70.87965	3.7
71.01250	9.1
73.02811	7.2
79.28756	3.8
81.03346	16.5
83.01260	36.0
83.04889	3.6
85.02831	15.5
90.10896	3.8
91.01765	3.8
92.22918	4.2
93.03336	18.4
95.01263	20.7
96.99326	3.6
97.02802	4.6
98.20485	5.2
99.00758	42.0
107.01289	22.1
107.04922	8.6
109.02847	79.1
109.06493	6.6
111.00810	19.2
111.04417	9.1
113.02312	7.4
114.75500	3.5
117.03375	3.4
120.60372	3.4
121.02837	12.0
123.00735	19.8
123.04440	21.1
124.01588	9.1
125.02355	85.4
129.01794	4.9
133.02875	16.9
134.03613	6.2
135.00766	6.1
135.04420	87.1
137.02348	44.4
138.05513	11.6
139.00262	48.0
139.03909	6.7
141.01846	48.3
145.02902	6.0
147.04494	4.6
149.02325	7.4
151.00293	56.4
151.03944	6.5
152.01109	9.2
153.01854	100.0
159.04448	6.6
161.02373	27.4
163.00275	17.6
164.01044	6.1
165.01881	40.0
166.99809	26.7
167.03444	45.3
168.00484	4.1
169.01334	14.7
175.03941	10.4
177.01874	27.0
177.05431	3.8
178.99803	32.7
179.03430	73.7
181.01370	46.4
183.04419	6.5
187.03952	4.9
189.01891	14.3
190.99828	10.4
191.03419	18.0
193.01370	69.8
194.01729	6.7
194.99300	33.7
195.02928	10.2
199.03909	4.4
201.01968	3.6
201.05402	4.5
203.03490	8.3
207.02892	9.1
209.00911	19.1
217.01390	13.8
217.05223	5.4
227.03461	6.1
229.05098	4.1
231.02992	8.7
235.02438	12.9
245.04597	9.2
255.03018	8.4
271.02728	4.3
273.04037	26.5
299.01904	4.9
317.03021	56.3
318.03131	5.8
335.04105	46.0
335.07825	19.2
335.20831	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22306	0.3
65.00154	0.4
65.93037	0.3
69.29095	3.5
71.93369	0.3
74.69518	0.3
104.07697	0.3
111.00771	1.6
113.90116	0.3
124.01551	2.0
127.00249	0.6
136.98685	1.2
139.00238	1.5
140.01041	3.0
142.02602	0.3
168.00555	4.6
183.02907	100.0
184.03233	4.3
335.04187	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69597	3.6
57.03325	20.1
57.39116	3.7
63.02270	4.3
65.00181	17.0
67.01759	8.3
68.99689	5.6
69.03330	5.3
71.01243	7.6
71.06115	4.8
71.06464	8.3
81.03318	12.8
83.01263	31.9
83.04905	4.5
85.02835	12.9
90.77673	3.1
90.78339	3.6
93.03358	10.9
95.01250	27.2
96.99196	5.6
97.02840	4.5
99.00761	65.4
100.85164	3.7
107.01279	25.5
107.04909	4.9
108.02071	3.5
109.02839	75.7
111.00770	27.8
111.04420	4.0
113.02322	6.5
117.03354	4.3
119.04914	6.7
121.02832	7.4
123.00755	27.2
123.04437	22.6
124.01560	11.1
124.98739	5.1
125.02338	100.0
133.02933	4.0
135.00784	6.5
135.04424	4.5
136.98729	5.3
137.02347	47.5
139.00264	58.0
139.03938	9.4
140.01056	4.5
141.01830	55.4
143.04965	4.0
145.02863	8.4
147.00777	7.6
147.04408	5.0
149.02365	9.3
151.00261	53.0
151.03908	10.8
152.01028	3.9
153.01846	87.0
154.02267	4.2
155.03477	8.6
159.04440	9.3
160.05089	4.7
161.02354	8.7
163.00319	16.7
163.03920	11.0
164.01004	3.1
165.01868	43.9
166.99789	37.2
167.03413	42.7
168.00504	7.2
169.01289	12.6
173.02386	5.7
175.00302	4.5
175.03871	10.9
177.01826	27.0
178.99831	20.2
181.01323	31.2
183.04517	3.8
189.01967	16.5
190.99806	10.4
191.03448	15.3
193.01392	73.8
194.99284	31.0
195.02896	11.2
199.03973	5.8
201.05502	3.7
201.68765	4.0
207.03082	8.6
209.00882	12.9
217.01396	10.1
217.05061	8.7
227.03476	11.9
230.02048	3.9
231.02940	10.6
235.02455	9.6
243.02910	3.9
245.04523	9.1
255.03238	4.9
271.02600	3.7
273.04086	17.6
317.02982	29.0
335.04184	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	334.2387
Annotation	Neovasipyridone C
Peak:m/z	Relative Intensity
50.66892	0.5
54.84570	0.4
67.02570	0.4
71.37985	1.1
72.04413	2.3
74.02346	100.0
75.02674	1.1
79.43754	0.4
81.64285	0.4
84.04431	0.8
105.18040	0.5
105.51492	0.5
113.26820	0.4
150.85583	0.4
161.02437	0.7
334.23904	40.4
335.24295	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	335.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01359	2.2
57.03322	10.3
59.01247	3.0
63.02264	2.4
65.00191	10.0
65.03870	1.9
65.77456	1.8
65.80688	2.0
67.01778	3.0
69.03324	3.2
69.44846	1.9
69.45143	18.5
71.01250	2.5
79.01785	2.6
79.90263	1.9
81.03303	9.3
82.00738	1.9
83.01246	16.3
85.02801	3.7
93.03339	5.1
95.01250	12.6
96.99183	2.2
97.02839	6.2
98.20493	3.6
99.00749	43.0
107.01264	10.0
107.04926	2.0
109.02831	31.2
111.00782	14.1
113.02306	4.1
119.04911	3.3
121.02826	4.7
123.00756	15.9
123.04362	9.7
124.01556	4.2
125.02325	79.2
131.03674	5.6
132.04387	4.0
135.00745	3.6
135.04407	4.9
136.98732	3.7
137.02332	33.3
139.00264	54.9
139.03900	7.2
140.01054	3.2
141.01823	51.6
145.02821	3.1
147.04451	5.6
149.02359	6.1
151.00273	42.3
151.03917	7.3
152.01039	4.5
153.01831	73.2
155.03403	3.2
159.04434	4.0
161.02370	6.5
162.02954	1.9
163.00273	12.3
163.03918	4.9
165.01842	34.5
166.99744	24.7
167.03380	33.9
168.00578	4.7
169.01349	21.6
173.02399	4.9
175.00259	4.6
175.03902	9.5
177.01836	30.5
178.99832	19.5
180.00108	2.2
181.01353	34.9
182.02040	2.6
183.02896	2.1
183.04427	3.6
184.94629	1.9
185.69023	2.1
187.03906	2.4
189.01884	14.7
190.02568	2.5
190.11366	1.9
190.99815	16.9
191.03436	18.4
192.00522	2.1
193.01343	100.0
194.01764	4.8
194.99265	43.6
195.02878	10.8
195.99719	2.5
197.00874	6.1
199.03952	3.9
201.05472	4.8
203.03413	6.1
205.04942	2.0
207.02913	9.7
209.00882	36.3
217.01369	16.7
217.04967	6.3
219.90820	2.2
227.03462	10.9
229.04996	4.4
230.02155	4.1
231.02866	17.3
235.02481	15.0
245.04453	13.3
255.03014	7.7
271.02484	5.2
273.03983	23.7
291.05066	2.9
299.02005	4.3
307.04437	3.0
317.02969	55.0
318.03366	4.7
335.04041	19.7
335.20627	6.2
337.72766	2.7
351.66168	2.3
356.71359	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93040	0.7
54.02018	0.7
55.01746	0.9
57.03314	1.1
59.01253	7.8
63.96726	0.7
65.50229	0.7
71.01257	7.9
72.99154	0.8
73.02811	1.0
78.03337	0.8
79.68060	0.7
80.04951	1.4
84.91866	0.6
85.02820	3.6
89.02313	3.3
92.04898	1.8
94.06488	4.5
95.01246	1.1
99.00772	1.1
101.02329	4.9
104.04965	3.6
105.03335	1.9
106.06506	14.6
107.06824	1.2
108.02034	0.8
108.04385	1.4
109.02824	4.3
113.02335	2.1
119.03415	1.3
120.04433	5.5
121.02823	0.6
121.05229	1.7
121.83229	0.7
122.05997	15.2
123.03165	2.2
129.01816	0.8
131.03624	1.4
132.04454	9.8
135.03122	0.9
135.04379	1.2
136.03885	1.1
137.02316	1.6
138.04475	1.3
138.05505	20.2
141.09125	1.1
148.03920	0.9
150.05495	2.3
150.45863	0.9
152.00996	0.9
153.09135	1.1
155.10664	1.1
164.07079	1.2
165.33385	0.7
166.04939	0.8
174.12814	0.8
175.03714	0.7
177.01849	0.8
189.07849	1.3
203.08029	0.8
213.06680	1.0
215.11867	1.4
217.07356	1.4
225.10268	0.8
241.09846	3.6
243.11365	2.2
271.10828	1.3
285.04047	0.8
289.11935	100.0
290.12207	6.7
311.05756	0.7
333.06714	1.3
333.10928	6.4
333.15494	12.7
333.19290	1.7
334.16028	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70134	0.6
57.03294	0.7
66.50948	0.7
71.34524	1.3
78.03366	0.8
78.95762	1.6
88.03890	0.8
92.04929	1.4
94.06499	4.0
104.04929	3.1
105.03329	2.7
106.05840	1.1
106.06509	13.8
107.03626	0.9
108.04421	2.8
120.04439	7.4
121.05173	1.0
122.02414	1.2
122.05995	14.0
123.03168	1.9
124.07565	0.7
125.02345	1.2
131.03658	1.5
132.04449	7.2
136.04004	0.8
138.05504	24.9
138.06569	1.3
148.03926	1.1
150.05524	4.0
158.70848	0.8
187.09935	0.7
189.07945	1.1
190.97186	1.0
198.50055	0.7
215.11847	1.3
217.07375	2.1
231.08949	1.0
231.11147	1.0
241.09744	3.1
243.11433	2.1
271.10895	1.1
289.11935	100.0
290.12283	7.4
314.97964	1.1
333.06375	1.4
333.10831	5.4
334.16406	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0616
Annotation	Cedrin
Peak:m/z	Relative Intensity
59.01254	1.3
63.31376	0.4
69.03332	1.0
71.01244	1.4
71.50362	0.5
71.60108	0.5
77.03832	1.6
80.95811	0.4
83.01297	2.4
83.01714	0.5
85.02818	1.0
89.02296	0.5
93.03326	2.9
95.01262	1.3
97.02829	9.4
98.34014	0.6
101.02315	0.7
106.79560	0.5
109.02847	2.8
113.02344	0.8
121.02845	10.5
123.00755	1.2
125.02369	0.6
137.02345	36.9
138.02690	0.7
139.00238	0.6
139.03949	0.6
141.01892	0.5
151.00339	0.6
163.00269	1.1
164.42896	0.4
165.01849	100.0
165.64139	0.4
166.02159	3.2
169.01155	0.6
178.99818	0.6
192.87134	0.5
197.04504	42.6
198.04889	1.8
206.99318	0.6
209.00891	1.4
223.02446	0.5
255.02945	0.6
257.04535	1.2
268.53503	0.6
284.41168	0.5
291.61179	0.6
301.03494	5.4
315.05069	0.7
333.06250	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0593
Annotation	GroPIns
Peak:m/z	Relative Intensity
60.60232	0.5
62.49121	0.5
71.21458	0.7
71.21772	0.7
75.13972	0.5
78.95778	80.0
80.96452	0.6
83.37637	0.5
84.27735	0.4
96.96842	16.3
115.00247	0.6
126.74301	0.4
150.97916	1.2
152.99496	68.9
153.99863	1.4
160.28419	0.5
171.00572	8.1
223.00136	1.0
241.01154	34.5
242.01378	1.3
259.02173	2.8
305.77942	0.6
333.05914	100.0
334.06317	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0253
Annotation	3,5,6,7,2',3',4'-Heptahydroxyflavone
Peak:m/z	Relative Intensity
56.86531	3.5
57.03313	4.7
58.09209	2.6
59.01227	3.2
63.02272	14.6
65.00212	19.9
67.01764	3.6
68.99671	5.1
69.03319	5.8
71.01250	7.0
79.01745	2.9
81.03329	5.0
83.01262	25.3
85.02818	5.1
90.56625	3.1
92.04935	3.3
93.03343	6.8
94.06523	4.1
95.01278	21.5
96.99212	3.7
97.02785	5.0
99.00760	21.0
101.02325	4.4
105.03344	6.0
106.06505	13.8
107.01257	24.3
109.02834	61.2
109.99955	3.9
111.00774	24.0
120.04405	9.1
120.99159	3.1
121.02845	4.5
122.05994	18.7
123.00764	32.7
123.03179	3.9
123.04425	3.1
125.02341	47.7
132.04436	9.6
133.02853	34.2
133.63991	2.8
135.00755	14.5
136.59337	3.0
136.98695	7.9
137.02336	15.9
138.05524	31.6
139.00276	60.8
139.03946	5.4
140.01033	6.4
141.01857	35.8
143.04938	4.6
145.02882	4.3
147.00729	4.0
147.04471	6.5
148.01540	3.9
148.98637	3.3
149.02344	10.3
149.99454	5.8
151.00279	71.9
151.01486	5.1
151.03848	4.1
152.01022	5.0
153.01843	39.6
154.99756	10.6
159.04422	5.2
161.02327	13.2
161.05916	3.9
163.00298	29.3
164.01059	6.7
165.01860	9.4
165.98857	3.8
166.99759	31.7
168.00565	30.3
169.01357	22.4
171.04300	6.7
173.02359	5.8
174.03081	4.0
175.00293	3.8
175.03932	11.1
176.98314	4.1
177.01830	16.2
177.99052	3.1
178.99794	69.3
180.00299	3.7
187.03903	7.6
189.01837	6.5
189.05450	4.2
190.99777	15.5
192.50774	2.8
193.01279	9.0
194.99280	18.8
197.00851	8.1
197.92247	3.2
199.03883	7.4
201.01869	5.5
202.02625	3.7
203.03482	15.4
204.97728	7.7
205.01341	13.7
205.04924	4.1
205.98346	4.0
206.99301	10.3
208.00015	6.1
209.00906	5.9
213.01804	3.1
215.03461	17.2
217.04906	6.0
217.07208	3.8
219.03030	7.8
222.96822	4.6
222.98817	41.1
223.99583	14.5
227.03377	4.7
229.01318	5.8
230.33859	4.1
231.02910	3.6
233.04517	12.2
243.03053	16.6
245.00940	3.3
245.04402	3.6
246.24829	3.1
247.02280	7.7
259.02521	8.6
261.04105	6.2
271.02554	17.0
271.10818	3.6
273.00314	3.5
287.01965	33.1
289.03516	6.0
289.11957	100.0
290.12430	8.6
297.00159	4.6
305.02856	3.6
315.01413	43.1
333.02484	68.3
333.10880	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	331.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	5.2
57.03310	4.5
58.00459	3.4
59.01250	72.9
59.47455	1.2
64.00121	1.1
65.00188	1.2
71.01253	100.0
71.57417	2.0
72.99187	6.4
73.02818	20.2
74.02350	8.1
81.06966	2.5
83.01264	7.9
83.04902	2.7
85.02825	35.0
85.99954	4.2
87.00751	8.1
89.02316	47.3
95.01269	6.2
96.58086	1.3
97.02827	1.7
99.00771	8.3
100.07534	1.6
101.02322	59.2
101.05952	2.3
109.02804	1.4
113.02332	38.9
116.04940	4.5
119.03387	21.7
120.24493	1.2
123.00769	2.2
125.02331	6.6
126.05410	1.4
131.03343	1.3
137.09570	1.3
140.07062	2.3
142.06491	1.9
143.03386	4.6
149.04523	1.4
151.00250	5.0
155.10681	22.8
156.11034	1.5
159.02878	5.5
159.06500	6.2
161.04462	27.0
169.01334	8.0
179.05461	3.3
184.06088	1.5
199.03902	1.9
199.09709	16.0
203.08171	11.9
211.02351	1.3
249.09996	1.4
253.15556	10.7
255.03078	1.6
255.06001	1.2
259.02698	2.1
270.05371	3.0
285.07608	5.1
297.14548	15.5
300.09882	6.0
313.11725	1.8
331.06668	6.6
331.13034	6.5
331.17471	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	331.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	4.8
61.89207	3.6
71.59008	4.3
82.77660	3.8
89.20885	4.4
92.34113	3.8
96.27594	4.7
121.06449	20.1
125.02325	11.5
130.05078	4.3
137.02315	4.6
139.07549	97.1
140.07925	6.0
147.04408	43.3
165.05473	22.3
169.01375	20.5
171.10156	6.0
174.96777	4.1
183.06577	100.0
198.86415	4.1
225.51913	4.7
232.38797	4.1
277.09756	4.9
303.08801	4.6
331.06479	11.1
331.19009	7.3
331.24820	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	331.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05378	0.8
50.99243	0.9
51.93396	0.8
55.01743	2.8
56.53004	0.8
56.64800	0.9
57.03313	1.9
57.89275	0.8
59.01250	16.4
65.63823	0.8
69.03313	1.2
69.83603	2.7
69.84021	2.6
70.51331	0.9
71.01252	39.2
72.00780	5.1
72.99181	1.7
73.02818	11.6
74.02342	60.2
75.00760	1.2
75.02653	1.0
81.03328	10.7
83.01269	6.4
83.04893	53.2
84.05214	1.1
85.02824	17.3
86.27099	0.9
87.00742	2.0
89.02316	3.9
95.01251	4.4
97.02843	1.2
99.00769	5.4
100.07549	12.8
101.02324	24.5
101.02990	1.2
101.43799	0.9
111.00749	1.4
113.02331	17.3
114.09119	3.9
116.04942	35.5
117.05299	1.5
119.03413	1.3
119.83089	0.8
123.00771	1.7
125.02328	5.7
126.05502	5.2
127.03920	1.5
128.04938	0.9
130.06494	1.0
140.07082	3.2
142.06503	8.1
143.03497	1.0
144.06517	0.8
145.04933	2.6
151.00267	2.4
158.08118	1.9
159.02905	2.9
159.09207	10.3
161.04466	12.2
169.01346	4.6
184.06097	9.8
186.05429	1.1
199.03905	0.9
202.07109	10.5
203.08192	100.0
204.08537	3.9
205.01340	1.2
213.15549	0.9
227.03439	1.0
231.02876	1.0
259.02438	2.1
271.04752	1.5
278.19171	1.0
285.07672	2.4
287.14044	3.5
300.10052	1.9
331.07263	6.2
331.12985	70.5
332.13232	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	331.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	3.0
69.76327	0.7
70.43484	1.5
70.43877	1.1
70.57271	0.6
71.01249	1.8
72.00770	4.7
73.02837	0.7
74.02345	64.3
75.02639	0.7
81.03336	11.8
83.04896	53.6
86.02342	1.2
89.02326	1.4
96.08054	0.8
100.00279	0.9
100.07556	13.5
101.02320	1.2
113.02353	0.9
114.09132	5.5
116.04949	34.9
117.05274	1.8
122.06016	1.5
125.02338	1.1
126.05485	5.9
127.03889	2.0
130.06512	1.6
140.07089	6.5
142.06520	9.0
144.06482	1.1
145.05000	1.3
155.10666	1.5
158.08131	1.5
159.09175	10.9
160.09427	0.8
169.01291	1.3
184.06062	9.1
186.05524	2.3
202.07146	11.7
203.08194	100.0
204.08548	5.0
243.14941	1.8
287.13980	2.8
294.69821	0.7
331.12982	70.3
332.13239	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	331.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
71.59309	2.2
72.65993	1.7
81.91669	1.9
100.55894	1.9
119.04919	2.7
121.06490	19.9
122.59257	1.8
125.02364	6.9
133.24124	2.0
137.02335	2.1
139.07550	100.0
140.07889	5.5
140.14304	1.9
147.04419	39.0
165.05498	18.2
169.01344	8.6
183.06554	93.0
184.06828	3.9
297.72971	1.9
315.05945	1.8
330.85550	1.8
331.06754	7.5
331.24860	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	331.1034
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
59.01266	1.1
60.08210	1.0
65.84392	0.9
71.01252	1.9
71.56718	1.4
85.02797	1.2
93.54772	0.9
94.57272	1.1
100.25298	1.0
109.99989	9.7
123.00737	1.1
124.01502	1.3
125.02327	10.6
127.63805	0.9
137.99492	12.3
139.00214	1.9
152.01018	3.2
153.01840	100.0
154.02316	2.0
155.03310	1.1
155.48996	1.1
155.86661	1.1
167.03365	4.9
168.04199	29.4
169.01324	4.6
169.04871	4.6
170.52200	1.1
317.42245	1.1
331.06900	1.6
331.10645	1.1
339.84372	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64511	1.9
59.01251	2.5
69.86135	5.5
69.86552	7.3
71.01271	2.9
82.66892	2.1
85.02818	2.8
93.92982	2.1
98.20477	4.0
106.10411	2.2
108.10950	1.9
109.99966	4.4
113.02320	3.3
123.00683	2.3
125.02309	10.5
137.99509	9.5
138.49858	2.4
139.00258	2.7
152.01051	3.3
153.01842	100.0
153.03091	4.9
154.02307	2.8
167.03383	11.0
168.04198	51.0
168.05647	2.8
169.01344	9.8
169.04933	8.4
186.39122	2.3
228.60031	2.1
230.91443	2.4
246.43140	2.0
271.04541	3.3
309.45566	2.3
331.06671	7.9
331.10278	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	331.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70514	0.4
59.01251	1.1
61.51690	0.5
63.02268	5.6
63.39089	0.4
64.61253	0.5
65.00200	3.8
65.03828	0.9
69.16605	0.4
70.01231	0.9
70.01646	1.7
83.01260	5.5
87.82112	0.5
92.15375	0.4
93.03341	5.3
95.01261	1.4
96.82504	0.4
107.01273	9.3
108.02057	3.6
109.02844	4.3
121.02802	3.4
122.03673	1.1
123.00810	2.8
124.01568	3.6
125.02364	6.1
127.93530	0.5
133.42917	0.4
136.01540	2.6
137.02356	7.5
149.02354	3.4
149.99550	0.6
150.03102	2.0
151.00278	14.3
152.01027	1.3
153.01837	0.8
159.04407	0.8
163.00227	0.9
164.01083	4.7
165.01852	100.0
166.02153	3.6
168.00520	0.8
169.01372	5.9
176.01076	0.5
177.01865	6.8
178.02589	1.3
179.03351	0.5
183.02504	0.5
187.03874	0.6
189.05371	0.5
191.03444	1.6
196.00047	4.8
199.03960	0.5
201.05505	1.0
211.03973	0.9
215.03445	2.2
217.01282	0.5
217.05057	0.7
224.51317	0.5
225.50201	0.4
227.03540	0.7
229.05086	1.1
231.02991	0.6
233.04492	3.5
241.04958	0.6
242.01891	0.5
243.02983	0.7
245.04626	0.5
255.02985	2.2
257.04520	1.7
259.02469	0.7
260.77472	0.5
271.02545	0.5
272.03064	0.5
273.04141	3.6
283.02539	1.6
285.04117	5.5
286.01584	0.5
298.04800	0.6
300.02643	1.5
301.03531	24.7
302.03900	1.5
310.37546	0.5
315.05069	1.4
316.05878	12.8
317.06403	0.9
331.08243	76.5
331.24902	6.3
332.08600	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	331.0825
Annotation	Sulochrin
Peak:m/z	Relative Intensity
53.75390	0.2
56.59579	0.2
59.01259	1.6
63.42968	0.1
65.03838	6.1
67.01762	3.1
70.51766	0.1
70.52097	0.5
71.01250	0.6
72.99189	0.3
75.00733	0.4
80.02547	0.6
85.02845	0.4
87.00767	0.3
91.01776	1.6
93.03339	6.3
94.03696	0.2
95.01278	0.3
98.20090	0.3
99.00779	0.2
107.01273	0.6
107.04926	0.2
108.02059	2.9
109.02840	17.3
110.03173	0.3
113.02341	0.4
117.03352	0.5
119.04894	0.2
121.02856	1.4
123.00778	1.1
123.04419	1.1
124.01572	0.3
125.02332	1.3
133.02852	1.2
135.00772	2.5
136.01572	1.9
137.02348	100.0
138.02623	2.8
145.02878	1.8
149.02338	2.7
150.03149	0.8
151.03920	7.9
152.04228	0.2
153.01840	1.9
153.05493	0.9
163.00293	2.0
163.03857	0.3
163.11218	0.3
164.01070	1.5
165.01816	1.3
168.00609	0.2
169.01346	1.4
177.01851	1.5
178.02719	1.1
179.03398	0.6
191.03378	0.3
193.04988	0.7
205.12233	0.3
207.10211	0.3
227.03471	0.3
239.03436	0.2
249.06036	0.2
255.03053	0.4
256.03784	0.2
258.09256	0.3
267.07251	0.4
270.05453	0.2
273.03973	0.2
283.02594	0.4
284.03192	0.2
285.07712	0.3
298.04755	0.2
299.05655	0.4
301.03561	0.4
301.07074	0.2
303.08841	0.3
313.07343	0.3
316.05856	1.3
316.09332	0.4
331.08261	9.5
331.19141	0.4
331.24823	0.3
332.08582	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	0.7
63.02259	4.6
65.00198	3.0
65.03825	0.9
67.01758	0.6
69.79942	4.3
74.41021	0.5
81.05530	0.6
83.01258	4.5
93.03343	5.5
95.01241	1.2
107.01265	9.6
108.02065	1.1
109.02846	4.0
121.02859	3.5
123.00738	1.5
124.01585	1.6
125.02335	13.1
128.83521	0.5
133.01819	0.5
133.02817	0.6
136.01555	1.4
137.02345	6.9
145.92618	0.5
146.31700	0.6
149.02324	3.3
151.00272	14.9
152.00995	0.7
155.18858	0.5
163.00301	5.3
164.01050	3.0
165.01840	100.0
166.02213	3.9
168.00533	0.6
169.01357	7.7
177.01840	2.6
191.03427	1.6
196.00085	2.0
201.01941	0.7
211.04068	0.6
215.03436	1.7
227.03328	0.8
229.05023	1.5
231.02924	1.7
233.04556	1.3
239.03281	0.6
257.04416	3.5
259.02444	1.7
273.04050	2.1
283.02414	1.4
287.05579	1.0
288.06235	0.6
300.02878	0.6
301.03525	29.6
302.03867	2.0
316.05890	4.4
331.08234	67.9
331.24622	1.0
332.08646	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	331.0668
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.58182	0.4
55.01764	0.5
55.14059	0.4
58.00466	1.2
59.01251	23.7
60.01578	0.6
65.70831	0.4
67.01757	1.2
69.03322	0.9
71.01253	13.9
71.49106	0.8
72.99189	1.8
79.01793	1.2
83.01262	1.0
85.02824	3.2
87.00772	0.5
89.01749	0.6
89.02311	10.8
95.01258	3.1
97.02831	0.7
101.02328	6.9
107.01266	4.8
111.00762	1.1
112.16963	0.4
113.02322	5.5
119.03385	3.4
123.00768	24.6
124.00999	0.5
125.02336	25.3
126.02660	1.1
136.98701	0.6
139.00279	4.1
139.03880	0.5
140.01062	1.4
141.01845	3.8
150.65253	0.4
151.00276	22.9
152.00632	0.9
153.01846	1.4
161.04558	0.4
165.01869	0.6
167.03473	1.4
168.00574	4.2
169.01337	62.0
170.01663	2.3
179.05583	0.8
183.02866	1.4
193.01376	1.8
199.79233	0.4
211.00414	0.9
211.02423	17.7
212.02779	0.9
241.03526	0.7
271.04590	13.8
272.05011	0.6
323.05252	0.4
324.63791	0.4
330.21295	0.5
331.06693	100.0
332.07031	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	331.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03647	1.4
52.91798	1.5
59.01260	12.0
63.02274	6.0
65.00199	5.3
67.31197	1.5
68.46349	1.5
69.60225	12.9
71.01248	11.2
73.02821	2.5
80.69902	1.5
83.01292	3.3
85.02837	6.8
89.02325	3.6
93.03355	5.0
95.01276	7.2
98.20610	2.4
99.00785	2.0
101.02337	6.5
107.01275	13.1
108.02059	4.3
109.02842	4.1
110.00021	1.8
113.02333	2.2
121.02854	3.5
123.00773	18.6
124.01553	44.9
124.02422	2.9
125.02370	24.1
126.99474	3.7
133.02853	2.1
135.04431	2.2
136.01553	3.5
137.02370	8.6
139.00278	9.0
139.03915	10.0
149.02408	4.8
149.99490	9.3
151.00267	41.6
152.01067	43.4
155.10706	7.6
161.04576	3.6
163.00322	1.7
164.01097	8.3
165.01843	100.0
166.02336	4.4
168.00604	5.0
169.01344	25.7
177.01828	7.8
178.99763	26.3
183.02943	2.6
185.06055	1.9
191.03438	3.1
193.01334	9.4
196.00113	5.2
199.09677	7.2
201.05487	1.8
203.08319	2.1
215.03461	2.4
227.03410	3.3
227.16556	1.8
233.04570	4.1
235.33130	1.6
255.03003	4.5
257.04626	5.5
270.05295	3.1
272.06897	3.5
273.04028	3.4
283.02670	2.1
285.04193	5.4
285.07748	5.0
288.06403	46.4
288.09409	3.1
289.06924	4.2
296.02264	1.7
300.10025	2.5
301.03540	23.5
302.03909	1.7
303.08759	20.6
304.09161	1.8
316.05902	17.6
317.06284	2.1
331.08282	95.3
331.17426	3.3
332.08658	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	331.067
Annotation	6-O-galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.01740	0.3
58.89221	0.4
63.38603	0.3
69.03322	2.3
69.75396	1.6
69.75805	0.5
71.01257	0.3
79.01782	0.6
81.03341	1.2
83.01254	1.1
95.01277	1.0
97.02810	2.7
107.01266	1.1
111.00731	0.4
119.04249	0.3
123.00751	2.6
124.01559	10.2
125.02335	99.1
126.02690	2.3
137.02341	0.6
139.00269	1.3
139.03955	0.3
149.99495	10.1
151.00320	1.9
151.03812	0.3
167.03458	0.6
168.00562	30.3
169.01335	100.0
170.01694	3.7
188.17235	0.3
193.01299	0.5
211.02280	0.5
283.18457	0.3
313.05734	1.9
331.06693	62.9
332.07025	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	331.0669
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.47983	0.9
59.01243	1.1
69.03323	2.8
70.14472	4.2
72.33995	1.0
73.36462	0.8
88.11492	1.0
95.01291	1.7
97.02824	2.6
97.38941	0.9
107.01270	1.6
123.00769	4.0
124.01566	13.2
125.02339	60.4
126.33707	0.9
149.99492	19.5
151.00323	6.6
153.01875	1.2
162.50394	1.0
167.03394	1.9
168.00562	43.6
169.01337	28.4
169.23466	1.0
211.02296	1.4
271.04578	2.1
313.05695	7.0
331.06693	100.0
332.07104	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	331.067
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.01753	0.9
59.01252	31.0
67.01758	1.9
68.81344	0.7
69.03323	2.0
71.01252	12.1
71.48994	1.5
71.49331	0.8
72.99171	1.3
79.01765	1.7
79.70518	0.7
81.03341	0.8
83.01247	1.5
85.02828	3.1
89.02309	6.7
90.77126	0.6
95.01257	4.4
97.02789	1.6
101.02323	5.0
107.01276	7.5
111.00774	2.0
113.02329	4.5
119.03374	1.7
123.00771	24.4
124.01590	6.5
125.02338	94.9
126.02686	3.2
136.98676	1.1
139.00314	4.3
140.01057	2.3
141.01837	3.2
151.00267	13.9
153.01894	0.9
167.03363	1.5
168.00572	10.7
169.01341	100.0
170.01704	3.7
193.01299	0.8
208.66388	0.7
211.02437	11.5
212.02776	0.8
271.04520	6.7
330.90414	0.8
331.06714	54.8
332.07031	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	331.0667
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.18473	0.7
57.36887	0.7
57.47122	0.8
59.01244	3.5
65.38657	0.8
67.55498	0.7
69.03328	1.6
71.01253	1.7
71.22060	1.9
72.99191	0.9
75.08371	0.7
83.01263	1.3
85.82459	0.7
95.01270	1.3
97.02837	1.8
101.21815	0.7
107.01269	2.6
111.00787	1.5
123.00769	2.0
124.01559	5.7
125.02341	80.3
126.02685	1.5
136.98801	0.9
139.00240	2.0
140.01025	2.0
151.00270	5.9
168.00565	15.8
169.01340	100.0
170.01694	2.9
175.00288	0.7
193.01198	1.0
211.02425	22.5
212.02725	1.7
271.04590	24.7
272.04831	1.5
331.06705	42.6
332.06998	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	330.1194
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
51.55200	1.2
59.01245	10.0
70.16930	5.7
71.01252	7.8
72.99165	1.6
73.31506	1.2
83.01237	1.4
85.02832	3.9
85.99994	2.5
87.00745	20.8
89.02333	4.3
97.28757	1.2
99.00780	1.6
101.02334	3.5
107.03633	2.4
111.00683	1.5
113.02341	4.2
121.05244	2.1
122.06008	39.2
123.04430	1.4
123.06387	2.0
125.02346	25.8
127.66158	1.3
134.05986	4.1
135.03140	1.5
136.03909	1.7
136.07584	16.4
138.05424	1.4
150.05515	100.0
151.00320	1.5
151.03862	1.6
151.05833	3.3
152.07068	8.0
153.01860	5.1
161.04718	1.7
162.05492	2.7
164.07068	4.3
168.00534	4.7
168.02863	1.6
168.04167	2.8
169.01343	31.5
174.05428	1.4
175.06273	3.6
176.07109	6.9
193.01303	1.6
194.08147	4.5
196.05583	1.2
204.06535	2.5
222.07605	2.9
222.20605	1.4
295.95587	1.6
312.10904	44.3
313.11115	1.7
330.04932	2.7
330.08533	0.9
330.11951	19.8
331.06726	17.4
331.12311	1.8
344.17664	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51699	0.5
59.01248	14.2
60.11489	0.6
65.00186	2.2
71.01259	9.5
73.02807	2.5
83.01256	3.2
85.02815	3.0
89.02319	6.0
89.51393	0.8
93.03323	1.0
95.01264	2.0
99.00731	0.8
99.27412	0.7
101.02325	7.2
107.01278	2.6
109.02787	0.8
113.02351	4.4
115.05428	3.1
117.03362	2.2
119.03394	2.3
119.04907	1.2
121.02814	1.7
123.00787	1.9
125.02338	5.3
131.01315	1.0
131.04901	3.1
133.02837	1.4
135.04411	1.7
137.02385	0.7
143.04935	4.4
145.02846	1.6
147.04407	1.6
149.02325	1.8
151.00290	6.6
151.03886	0.7
158.03593	0.7
159.03098	1.3
159.04428	11.9
160.04842	1.2
161.02354	2.9
161.04445	1.8
163.03934	1.5
168.00488	1.3
169.01347	5.8
171.04398	2.8
173.02397	0.8
175.03877	3.8
177.01909	0.8
178.99774	2.2
187.03914	8.8
189.01868	1.9
191.03389	1.2
193.01453	1.1
203.03426	32.8
204.03766	1.9
211.02318	1.7
215.03465	8.8
217.01303	4.2
229.39587	0.7
231.02937	10.3
243.02963	1.0
245.00841	1.0
259.02457	100.0
259.89767	0.7
260.02829	5.4
268.90891	0.8
271.04535	3.6
285.00372	0.7
287.01978	32.6
288.02377	2.1
313.03561	0.8
330.14163	0.7
331.00912	8.9
331.06921	2.3
331.17651	3.1
331.21210	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2335
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
51.35999	0.4
52.54338	0.4
55.98387	0.4
59.01251	1.9
69.53114	2.1
69.53544	1.9
71.00893	0.4
71.01249	0.8
72.99183	0.5
73.02811	1.3
79.65375	0.5
96.95921	1.1
98.60306	0.5
99.08067	0.5
108.60040	0.4
125.09644	0.6
127.11185	3.7
139.11185	0.6
143.10664	0.8
155.10670	4.1
157.12247	14.6
170.91069	0.6
170.97780	0.9
171.10187	100.0
172.10545	3.3
201.11258	3.4
208.93507	0.5
211.13293	1.3
230.07909	0.4
248.04901	0.4
311.22232	2.6
329.23383	7.4
330.23648	0.9
352.83072	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2332
Annotation	9,12,13-TriHOME
Peak:m/z	Relative Intensity
52.12804	0.6
52.13055	0.4
53.92442	0.4
57.03328	0.9
57.51871	0.4
69.03291	0.5
71.04884	0.5
71.44688	0.9
97.06448	0.7
99.08042	5.7
107.73156	0.5
125.09554	0.8
127.11180	2.8
129.09094	0.5
139.11169	3.8
155.10661	0.5
155.14301	0.5
157.12259	0.5
165.12662	0.6
167.14282	1.3
171.10190	11.6
180.89714	0.4
183.13824	4.9
193.12256	1.9
199.13391	0.7
209.11774	1.4
211.13336	26.0
212.13820	0.5
229.14407	15.2
230.14923	0.6
253.98927	0.5
278.42261	0.4
293.21277	1.3
311.22302	0.7
329.23318	100.0
330.23703	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	329.2332
Annotation	9,12,13-TriHOME
Peak:m/z	Relative Intensity
55.44202	0.8
56.31053	0.8
57.03315	1.1
59.01257	4.1
71.58182	1.6
72.95579	0.7
96.95880	0.9
98.19982	0.8
99.07991	0.9
122.84377	0.9
127.07507	0.8
139.11214	1.2
148.04741	0.8
153.12834	1.8
155.14310	5.0
167.14339	0.8
170.88307	0.9
170.97824	1.2
171.10190	3.9
183.13821	7.8
199.13339	6.4
211.13344	7.6
225.81870	1.0
227.12756	3.0
228.13309	0.8
229.14400	100.0
230.14662	4.6
285.04590	0.8
287.22177	1.4
293.21185	1.0
311.22232	8.4
311.78583	0.8
312.22421	1.0
329.23260	16.4
330.23505	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2333
Annotation	9,12,13-TriHOME
Peak:m/z	Relative Intensity
57.03315	0.8
57.68197	0.5
58.00468	1.5
58.30844	0.4
59.01243	3.5
70.24298	2.1
75.69177	0.5
79.01940	0.4
83.04913	0.6
98.19882	0.6
98.20427	0.6
99.08040	6.2
100.14453	0.5
110.09881	0.5
113.09598	1.5
125.09605	1.6
127.07546	1.2
127.11198	2.7
129.09105	4.9
129.48059	0.5
139.11191	2.3
139.18408	0.5
155.10680	1.4
167.10754	0.7
169.12253	3.6
171.10185	8.3
181.12274	3.6
183.13849	1.3
189.12709	1.2
193.12244	1.9
197.11702	1.0
199.13350	11.5
200.13670	1.1
201.11273	7.5
207.09967	2.0
211.13332	9.7
213.11395	0.8
229.14449	1.3
257.11560	1.9
275.20190	1.2
293.21210	3.7
311.22229	3.6
329.23312	100.0
330.23685	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	329.2334
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
55.01760	0.6
57.03321	0.8
58.00462	1.4
59.01263	1.7
69.03315	0.6
70.08642	1.4
70.09061	0.6
71.01238	0.4
71.04897	0.5
72.99187	0.4
73.02811	1.4
79.68438	0.3
83.04908	0.6
95.04885	0.3
96.95880	0.7
97.06472	3.0
98.20410	0.5
99.08072	0.5
109.06471	0.5
111.08064	4.5
113.09609	3.7
116.45983	0.4
117.00368	0.4
123.00777	0.4
123.08050	4.9
125.08727	0.6
125.09617	8.4
128.49477	0.4
130.04599	0.4
135.08032	1.5
139.07585	0.5
141.09146	3.2
141.12712	0.5
143.10684	0.7
151.07483	0.6
153.09123	19.1
154.09450	0.8
170.97777	1.1
171.10213	2.1
182.72273	0.4
200.15332	0.4
207.68579	0.4
211.13387	0.6
217.10774	4.2
229.14296	1.1
231.14992	0.5
247.38351	0.4
265.21768	1.2
304.64883	0.3
311.22156	1.0
329.23315	100.0
330.23676	7.8
338.23764	0.5
343.79916	0.4
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	9,12,13-TriHOME
Peak:m/z	Relative Intensity
51.45498	0.5
55.08905	0.5
57.03318	0.5
58.00470	1.6
59.01253	4.2
67.69333	0.4
71.01254	0.7
72.99200	0.6
78.28797	0.4
79.05395	0.5
90.40478	0.4
97.06495	0.5
98.19735	1.1
99.08035	9.6
109.02827	0.5
113.09582	1.0
121.02878	0.6
122.17017	0.4
123.00701	0.5
125.09634	0.4
127.07529	2.0
127.11209	0.7
129.09105	7.4
129.10005	0.7
139.11165	1.2
155.14314	0.7
169.12241	3.6
171.10234	2.9
181.12267	5.1
183.13863	1.6
192.37120	0.4
193.12289	1.5
197.11813	2.3
198.12167	0.6
199.13350	17.8
200.13641	0.7
209.11833	0.5
211.13358	13.1
212.13657	1.3
227.12877	1.0
229.14426	2.8
255.02951	0.5
256.02844	0.5
271.02423	0.8
271.05225	0.5
293.21179	3.8
298.04410	0.6
299.01755	1.0
299.04831	1.2
311.22354	2.5
314.04282	1.4
314.07394	0.7
329.06598	1.5
329.23318	100.0
330.23639	7.2
340.46954	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01575	1.0
60.99195	0.4
70.09112	2.4
98.19959	0.7
99.04414	0.9
101.81427	0.6
123.45279	0.5
207.13838	0.8
209.11745	2.0
225.14912	66.7
226.15251	4.0
251.12904	0.7
269.13919	9.3
271.02472	1.0
287.14923	1.5
299.02054	1.5
314.04279	2.1
329.06561	1.2
329.16153	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	329.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94405	0.7
58.00457	1.1
58.58395	0.7
59.01247	5.7
61.98711	0.8
69.29809	4.6
69.30230	2.8
71.01262	1.0
72.99191	0.9
73.48999	0.7
78.13954	0.7
93.03381	0.8
97.06461	1.0
99.08031	9.5
121.02829	1.0
125.02306	1.2
127.07557	1.5
127.11185	0.8
129.09119	7.3
135.00787	1.5
139.11203	1.7
169.12267	6.1
171.10173	5.0
181.12254	4.5
183.13869	1.5
193.12273	1.8
197.11760	2.4
199.13329	23.5
211.13354	13.6
215.21683	0.7
225.15041	1.0
229.14452	1.6
243.02972	0.9
253.01302	0.8
254.02171	1.6
255.02969	1.2
256.03610	0.9
267.17474	0.7
268.03741	1.0
269.04538	1.7
271.02432	1.2
275.20468	1.0
284.03354	1.7
293.21115	2.3
299.01819	1.1
299.05295	1.7
311.22095	3.6
314.04269	3.1
314.07751	1.4
329.06613	4.5
329.10361	4.1
329.17130	2.5
329.23315	100.0
330.06174	1.9
330.10416	0.8
330.23700	9.6
354.74670	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
70.57321	3.1
70.57719	3.4
71.01257	14.2
72.99161	1.7
81.03351	1.4
83.01276	1.4
85.02858	3.1
87.00722	2.2
95.01248	2.1
99.00785	1.4
101.02326	5.1
104.29173	1.5
113.02338	5.2
120.09787	1.4
121.02892	1.4
121.15482	1.3
123.04383	3.0
123.08047	2.1
125.02341	3.2
141.09134	2.7
149.83075	1.5
158.09978	1.4
161.04486	4.6
167.03430	14.8
169.01366	3.3
191.87715	1.5
269.10275	3.9
329.12378	11.9
346.22458	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1394
Annotation	Muricarpone B
Peak:m/z	Relative Intensity
56.56599	0.5
59.01249	1.7
69.57491	4.0
71.01283	0.5
91.05434	0.9
93.03350	1.1
98.20518	1.0
103.05394	0.6
105.03347	0.9
108.02074	0.6
115.05422	1.2
119.04898	0.7
121.02840	13.3
122.03659	3.9
123.00746	3.4
123.04401	2.0
124.01566	1.9
130.04120	1.0
131.04893	1.4
134.03612	1.2
135.04391	1.3
136.01578	1.2
136.05205	3.7
137.02309	3.0
137.05972	2.0
139.03847	0.7
143.04955	2.4
145.02875	1.9
145.06479	0.9
146.03610	1.0
147.04414	10.3
148.05109	0.7
149.02357	4.9
149.05978	1.0
150.03139	19.9
151.03833	0.8
153.05440	1.0
154.02678	0.8
158.03647	13.1
159.04433	43.0
160.05215	100.0
161.06000	37.7
162.03059	1.2
162.06335	2.2
163.03918	18.1
164.04716	14.2
165.05083	0.8
168.04208	1.8
173.05991	11.0
174.06474	1.2
175.07568	81.9
176.04730	2.4
176.07935	4.0
177.05492	19.7
178.06268	19.3
179.06561	1.0
191.07098	0.8
192.07790	1.5
193.08636	9.5
287.18604	1.0
299.12878	0.9
314.04147	0.9
314.11575	2.9
324.80331	0.6
329.13928	98.2
330.14258	9.2
339.10355	0.5
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
57.03326	0.7
59.01243	1.6
65.00188	0.6
66.47054	0.2
69.45224	1.4
69.45650	0.8
71.01250	0.8
76.64941	0.3
81.02873	0.4
81.03337	4.2
83.01259	2.4
85.02817	0.5
93.03362	0.6
95.01271	0.6
95.04926	1.0
96.71433	0.3
97.02840	0.7
99.04384	0.3
100.21382	0.2
102.10752	0.2
107.01240	0.3
109.02835	0.6
113.02310	0.3
121.02811	0.7
123.00812	1.2
123.04414	36.1
124.04728	1.5
125.02338	5.6
131.01273	0.4
133.52461	0.2
135.04408	0.8
137.02371	1.2
137.06015	0.3
139.03889	0.7
149.02318	1.4
151.00290	1.5
151.03911	0.9
155.21912	0.2
163.03929	1.2
165.01828	0.3
166.02660	0.6
167.03416	100.0
168.03758	3.5
169.01358	1.0
175.00262	1.3
179.03441	1.0
180.04156	0.4
181.04980	3.2
182.05385	0.3
191.03436	22.2
192.03810	1.4
209.04488	9.2
210.04871	0.6
221.04533	2.6
227.55356	0.3
229.72086	0.3
233.04520	0.4
329.08777	2.6
329.16183	0.3
352.06482	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.4
61.84687	0.6
65.00193	0.7
69.80293	3.9
72.00778	6.9
74.02344	57.1
75.02669	1.0
76.93164	0.6
79.95610	0.8
81.03332	4.8
81.25816	0.6
95.01240	4.5
97.01564	3.2
98.06004	2.1
98.19791	1.3
110.05966	3.7
112.07594	0.9
116.04946	38.1
117.05274	1.6
123.00765	8.0
124.01574	1.4
125.02348	4.0
129.21944	0.7
130.06534	2.1
137.02318	1.4
138.05510	6.6
139.69080	0.7
142.06525	9.7
151.00241	3.5
156.06578	14.2
159.09192	9.9
166.99773	1.9
168.00548	0.9
169.01277	3.6
178.99733	1.7
181.01408	1.2
186.05516	1.9
189.04187	0.7
203.08205	100.0
204.08510	5.1
227.03513	0.9
241.13458	4.6
243.02965	0.9
271.02438	6.7
285.12448	44.8
286.12711	3.2
299.01984	9.0
314.04245	3.8
329.06686	7.0
329.11432	8.3
330.06122	3.9
330.11609	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67618	0.7
59.01247	2.1
65.00206	1.1
69.53825	3.4
69.54240	1.8
71.01250	0.9
72.00773	0.8
74.02357	6.5
88.14932	0.7
95.01262	2.3
107.01282	1.2
116.04977	5.3
123.00791	5.6
124.01547	1.0
125.02345	1.9
125.87185	0.7
133.02821	1.8
135.00818	0.8
137.02330	2.0
142.06493	1.4
149.02330	1.5
151.00302	2.9
156.06563	1.7
157.02844	0.9
159.09195	1.7
163.00255	1.0
166.99754	1.8
167.03470	0.8
169.01334	1.5
177.01772	0.7
178.99756	1.6
185.02249	0.8
185.68867	0.7
199.03979	3.4
201.01979	1.3
203.08205	14.1
211.04019	1.5
215.03427	1.6
226.63742	0.7
227.03430	3.8
243.02965	6.1
255.02878	2.5
271.02481	86.4
272.02826	5.4
285.04047	4.9
285.12558	5.9
286.12399	0.7
299.01971	100.0
300.02307	7.0
314.04367	27.2
315.04639	1.9
320.91476	0.7
329.06668	80.7
330.06934	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	329.0669
Annotation	5,6,4'-Trihydroxy-7,3'-dimethoxyflavone
Peak:m/z	Relative Intensity
59.01283	1.8
63.22783	0.5
68.18372	0.6
71.05434	0.5
71.59788	0.6
71.60149	0.9
87.78049	0.6
95.01347	0.6
106.00523	0.7
109.02864	1.7
123.00748	0.6
125.02356	1.0
133.02882	1.1
134.00015	0.8
137.02409	1.0
143.04950	2.0
148.01591	1.0
149.02402	1.1
149.99463	0.6
155.04936	1.0
157.02884	1.9
159.04459	1.4
160.98711	1.4
161.99486	3.7
163.00281	1.4
165.01801	0.6
169.02867	0.7
171.04431	6.7
175.03975	0.7
181.02800	0.7
183.04469	2.1
187.03906	4.5
189.99072	0.7
190.99817	0.9
198.03122	0.9
199.03978	7.1
203.03561	0.7
211.04005	1.3
215.03392	6.8
225.01912	0.9
225.06721	0.8
226.02650	1.1
227.03450	11.1
228.03668	0.8
242.02191	0.7
243.02965	13.1
244.03363	1.1
253.01390	3.2
254.02098	0.6
255.02959	12.0
258.05447	1.4
270.01767	2.0
270.05344	1.7
271.02490	23.4
272.02899	1.8
281.00833	0.9
282.01639	1.3
283.02457	0.7
285.04144	1.7
296.03305	0.8
298.01260	1.3
298.04529	0.9
299.01962	31.8
300.02310	2.6
313.03592	2.5
314.04318	100.0
315.04660	7.5
329.06650	68.2
330.06985	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	329.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.5
59.01260	2.0
63.02258	0.9
65.00207	1.6
65.49306	0.6
69.03339	1.3
70.37690	2.2
71.01239	1.0
83.01265	1.7
85.02828	4.6
86.03161	1.3
88.74331	0.8
89.63775	0.6
89.65062	0.7
93.03325	1.5
94.95908	0.9
95.01295	1.8
95.04960	0.9
97.06470	1.4
98.06814	0.9
107.01291	2.1
108.02024	1.3
109.02854	1.2
117.03365	0.9
123.00811	1.3
124.01579	8.1
125.02349	5.2
128.11568	0.8
128.32736	0.7
133.02843	1.2
135.00786	0.9
136.34099	0.8
137.02342	2.2
137.09648	1.1
139.11188	0.9
145.02838	1.2
148.09364	0.7
149.02348	1.8
151.00296	3.9
152.01085	1.4
155.04999	1.3
159.04350	0.8
161.02374	5.5
162.03119	3.5
167.10591	1.0
168.59836	0.7
171.04436	1.7
171.10229	6.8
172.10564	6.0
173.10735	2.2
175.03947	4.3
177.01878	1.4
183.04414	1.5
183.13840	1.7
188.04889	1.0
189.01862	12.1
190.02626	3.3
199.03914	2.9
200.02911	0.8
200.04668	1.1
201.01894	1.0
203.03413	3.0
204.04213	2.4
211.04024	1.0
211.13416	5.0
212.04861	1.1
212.13675	6.6
213.01804	1.3
213.13844	3.6
215.03468	3.0
227.03398	5.7
228.04274	2.1
229.14368	2.2
230.14798	4.3
231.02931	4.9
231.14856	2.0
239.03529	1.4
240.04222	1.8
240.13084	0.9
241.05049	1.8
241.13603	1.1
242.02286	1.0
242.64563	0.8
243.02989	24.4
244.03352	1.5
245.04488	1.7
246.05338	2.2
255.02989	3.8
256.03705	6.5
267.02695	1.0
268.03711	1.5
269.04639	1.5
270.05377	1.9
271.02515	15.9
271.06073	5.0
272.03055	1.1
283.02274	1.1
284.76736	0.8
285.04025	3.9
286.04675	1.0
286.08499	3.6
292.20068	1.5
293.20282	1.4
296.03448	2.1
297.03891	1.5
299.01990	35.0
300.02249	3.5
301.10770	2.5
313.03543	6.9
314.04330	36.9
315.04761	3.0
328.22141	24.1
329.06677	100.0
329.10150	5.8
329.22461	35.0
330.07074	7.8
330.22598	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05651	0.4
58.31610	0.4
59.01236	1.8
59.73655	0.4
69.40138	4.4
70.31889	0.5
71.01253	0.6
78.84258	0.6
95.01248	0.5
103.33022	0.4
104.98930	0.4
107.01223	0.4
123.00781	0.5
125.02359	0.9
135.00732	1.1
137.02364	0.7
149.02342	2.1
151.00279	0.9
161.02339	0.6
169.01393	1.1
171.04445	0.8
175.03954	0.6
175.07771	0.5
199.03926	1.6
201.01859	0.7
203.03510	0.5
215.03419	0.7
227.03383	3.3
243.02966	4.6
255.02808	0.6
256.03641	0.7
271.02484	94.4
272.02847	5.7
283.02539	0.6
299.01978	100.0
300.02289	8.3
310.09970	0.5
314.04324	23.4
315.04675	2.2
326.80865	0.6
329.06674	89.9
330.06985	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	329.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00746	1.1
52.54455	1.2
53.29063	1.2
55.07115	1.3
55.75145	1.3
59.01246	6.4
65.00201	4.6
71.57643	1.9
73.12483	1.4
92.99699	5.6
99.09499	1.2
109.09162	1.2
109.88876	1.3
111.25266	1.3
123.00764	4.9
125.02339	4.7
132.02005	2.6
141.03391	1.5
143.04936	1.6
147.04361	2.4
148.01526	2.2
149.02354	1.9
149.99477	1.8
151.00208	3.0
153.01764	8.1
154.04106	1.4
154.08614	2.1
155.04915	4.9
158.03651	1.8
161.02324	6.9
163.00310	2.3
164.04697	5.2
165.01747	2.0
171.04422	5.4
173.06029	2.3
175.00282	1.7
177.01730	1.4
182.03664	5.9
183.04462	10.9
185.02380	4.1
186.03145	3.1
187.03831	1.9
190.99896	1.8
197.06082	1.7
198.03093	4.3
199.03928	13.2
201.01848	4.4
201.05522	3.8
203.03462	3.8
206.02220	2.6
209.02287	2.2
210.03287	6.6
211.03864	6.7
212.04649	2.0
213.01910	1.8
214.02640	1.6
215.03452	6.1
215.55179	1.2
225.05435	2.1
226.02699	3.7
226.06340	1.9
227.03439	28.4
229.01448	1.6
237.01903	1.8
238.02602	3.8
239.03430	3.3
241.04959	2.6
242.02243	1.9
242.05809	8.3
243.02907	12.7
254.02174	7.0
255.03038	9.4
256.03979	1.4
257.04550	3.5
258.05289	4.2
269.04553	6.0
270.02463	1.9
270.05286	13.1
271.02524	18.9
271.05606	2.0
282.01706	9.1
282.05316	5.6
283.02374	3.9
284.03259	2.6
285.04099	3.8
285.07651	11.0
286.04828	15.6
287.18796	3.1
297.04025	14.1
298.04639	5.3
299.01993	48.6
299.05307	3.4
300.02365	3.3
301.07104	8.0
313.03424	3.3
314.04312	78.2
315.04807	5.4
329.03256	4.0
329.06647	100.0
329.23428	2.9
330.07059	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	328.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24992	3.7
57.03326	5.2
60.82614	2.9
65.99731	4.1
69.88329	15.3
78.03809	2.8
83.01257	6.8
93.03323	4.4
95.01246	4.6
95.04822	2.8
96.27467	3.2
97.02814	11.0
98.02348	13.2
107.04910	3.3
108.02100	3.1
109.02844	52.5
110.80318	3.1
118.04983	68.3
121.02833	13.9
122.02400	3.4
122.03596	9.9
123.04427	26.0
125.02352	26.0
133.02808	5.0
135.04408	10.5
137.02335	57.6
138.02580	3.4
139.03917	17.5
145.02824	9.4
147.04277	4.0
148.03949	16.4
149.02353	31.3
150.03087	7.1
151.03909	21.1
159.04465	4.2
161.02362	12.5
161.04730	3.2
162.03093	5.4
163.03914	11.6
164.01074	6.6
164.03415	5.4
165.01828	23.8
167.03339	5.8
172.03966	17.1
175.03944	8.0
176.01006	4.5
176.03430	6.5
177.01781	7.7
178.02605	6.7
179.03362	20.2
190.05008	6.9
191.03424	8.7
197.06071	4.1
203.07031	4.7
213.05490	16.0
215.07079	60.0
233.08110	16.4
239.07027	6.2
242.08150	7.7
243.06441	3.3
257.08191	19.3
259.06094	13.9
273.61252	3.2
283.06009	4.3
284.09424	8.9
301.07147	55.8
302.07526	4.8
310.07153	7.6
328.08237	100.0
329.08444	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	327.2177
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
56.61840	16.1
59.01252	63.4
65.86760	15.7
70.81210	28.0
70.81561	22.6
75.94424	16.5
125.09607	26.5
149.99779	18.0
155.10629	24.8
163.07605	20.0
165.12851	28.0
171.10188	38.9
184.00174	34.3
209.11752	39.2
248.07994	35.7
281.75735	17.7
291.19766	25.2
327.21677	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	327.2177
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.72713	0.5
57.03328	1.0
58.00460	2.1
59.01244	3.7
69.03332	0.7
71.01273	1.1
71.45418	1.2
72.99145	0.7
74.48549	0.5
81.34737	0.6
83.04922	0.9
85.02812	1.9
97.06472	2.6
108.12255	0.6
111.08041	13.2
114.04769	0.6
125.09599	1.0
127.07514	0.7
153.12810	1.0
168.77411	0.5
169.12262	6.5
171.10167	4.2
179.10684	0.6
181.12180	1.0
183.13803	1.0
185.11748	4.0
193.12169	0.6
197.11774	49.8
198.12141	2.2
199.13351	5.4
209.11771	2.2
211.13364	3.5
218.78342	0.6
221.11830	1.3
227.12909	1.3
239.12845	2.0
263.20175	1.9
291.19601	4.3
309.20679	4.3
313.60547	0.6
327.21759	100.0
328.22119	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	327.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68803	0.8
51.14984	0.9
59.01241	1.6
65.63606	0.8
69.25449	8.3
71.01225	0.8
80.83115	0.7
85.02819	1.6
98.19930	3.1
113.10382	0.7
125.09500	0.9
128.07048	1.2
139.11227	1.0
145.09727	53.0
146.10078	1.7
155.10648	1.1
171.10170	3.6
183.01108	1.7
196.35876	0.8
198.12154	0.8
198.18590	3.1
201.11261	1.0
209.85887	0.9
211.13394	1.1
229.14487	0.9
229.77167	0.8
281.25778	1.2
283.27512	3.9
327.16168	2.7
327.21875	14.2
327.26480	100.0
328.22415	1.4
328.26807	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	327.2176
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
56.12008	0.7
57.03318	3.2
59.01236	1.1
60.12661	0.7
62.20917	0.7
69.03335	3.9
70.71915	2.0
71.01270	1.1
77.29096	0.7
81.03324	0.9
83.04872	1.2
84.02055	0.9
85.02334	1.2
85.02819	11.7
95.04931	1.5
97.02823	1.8
97.06464	5.8
123.08002	0.7
125.09598	2.3
127.11186	3.4
137.09598	2.6
142.92473	0.7
155.10728	1.0
155.14226	0.7
165.12793	1.7
167.14304	0.7
171.10178	27.9
172.10468	1.1
177.12799	1.4
181.12242	0.8
183.13849	5.7
185.11766	1.1
193.12296	2.0
201.11168	0.9
203.10747	0.9
209.11832	1.7
211.13335	26.3
212.13675	2.0
213.71536	0.7
221.11749	3.3
229.14409	13.9
230.14665	0.9
239.12845	2.7
254.72562	0.8
268.71213	0.8
280.39743	0.6
291.19604	4.2
309.20593	1.7
327.21759	100.0
328.22113	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	327.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13615	14.9
55.52069	16.2
59.01249	25.7
71.58698	29.9
85.02821	26.0
94.09411	15.6
125.09582	25.7
171.10152	100.0
185.11749	38.8
196.59653	19.0
209.11617	19.1
327.21732	75.0
327.25241	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.9
55.41659	0.5
57.03333	5.4
57.59483	0.5
62.40597	0.5
69.03326	4.3
71.01246	0.9
71.15443	1.1
75.76210	0.6
83.04872	1.3
84.02064	0.9
85.02829	17.0
95.75011	0.6
97.02830	2.3
97.06483	3.2
100.30627	0.6
111.08060	0.7
119.08599	1.0
123.26156	0.6
125.09609	1.6
126.76046	0.5
127.11169	2.5
137.09634	6.6
153.09109	0.7
155.10719	0.9
171.10187	42.7
172.10510	1.1
183.13837	2.5
193.12294	1.2
201.11238	2.2
211.13347	12.7
212.13710	0.8
221.11781	2.1
229.14413	8.5
239.12848	1.4
291.19702	3.7
309.20615	1.6
327.21765	100.0
328.22086	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	327.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21257	1.4
55.42337	1.4
57.03326	4.8
59.01242	2.8
69.03320	3.7
71.01259	2.1
71.04888	2.4
71.24271	3.3
80.02554	3.3
84.02049	18.5
85.02822	10.5
97.02856	1.3
97.06464	3.0
113.09557	2.6
125.09617	6.0
127.11194	7.1
137.09615	24.0
141.09088	1.7
145.61443	1.2
153.09155	1.7
155.10689	38.7
171.10185	96.7
172.10509	3.7
182.63841	1.5
183.01224	2.3
183.13857	2.0
185.11768	2.8
197.11867	2.1
201.11250	19.4
209.11852	2.5
211.13342	7.1
213.11244	11.1
221.11696	1.7
229.14461	4.5
247.20583	2.0
269.04428	1.9
281.01047	1.7
291.19666	6.5
297.00500	2.1
297.03870	2.3
309.20746	8.3
312.03137	1.4
312.06696	2.6
327.05087	2.4
327.08746	3.6
327.16006	2.6
327.21786	100.0
328.22037	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	327.2177
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03327	2.9
58.00459	5.0
59.01284	2.0
71.49510	6.4
73.02824	4.1
80.22898	2.2
83.04932	2.8
108.14109	2.2
115.07540	76.4
116.07893	2.5
125.09615	5.6
129.09090	4.4
153.02686	2.6
153.12775	30.5
155.14304	3.4
167.10651	2.7
169.12164	2.6
171.10176	34.7
181.12341	3.3
183.13840	2.8
197.11787	35.8
198.12111	4.1
199.13347	36.4
209.11790	6.6
211.13327	3.5
215.12834	44.1
227.12846	100.0
228.13153	6.3
229.14394	49.4
230.14720	3.0
265.21851	5.3
291.19638	5.0
299.22214	11.0
302.85806	2.5
309.20703	21.6
312.02646	2.4
327.21762	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97633	0.8
57.03318	3.7
58.00456	2.4
59.01252	2.6
61.11606	0.9
62.32278	0.9
62.71801	0.9
69.03339	5.6
71.37524	1.9
83.04900	2.5
87.04394	2.8
97.06458	1.6
111.08038	4.8
119.08546	6.8
125.09621	4.9
127.07616	1.2
127.11179	3.3
135.08066	2.9
136.56020	1.0
137.09624	26.1
138.10010	2.2
155.10724	1.1
169.12274	4.2
171.10184	92.1
172.10480	3.9
180.37454	1.0
185.11746	1.6
195.13789	1.6
197.11769	30.3
198.12056	1.6
199.11688	1.0
199.13332	4.5
201.11255	19.7
202.11621	1.0
205.61058	1.0
211.13339	3.8
213.11314	1.5
221.15359	1.4
229.14401	1.2
239.14262	1.7
239.16507	19.8
240.16823	1.8
273.18652	1.3
291.19675	9.6
309.20706	10.5
312.99667	1.1
327.21750	100.0
328.22098	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	327.2175
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.02895	1.3
55.01770	1.5
57.03339	3.5
59.01245	3.3
68.25603	1.3
69.03319	2.9
69.27825	1.4
69.28145	16.0
71.01252	5.6
71.04890	1.9
73.02794	1.5
77.20821	1.3
83.04906	2.3
84.02041	7.0
85.02825	2.5
97.06461	2.9
98.20309	6.5
99.08021	4.4
113.09610	5.0
123.08044	1.5
125.09609	9.9
127.11165	5.5
129.09077	1.6
137.09627	6.9
139.11163	2.8
141.09126	2.2
153.09120	2.6
155.10735	9.4
165.12694	1.7
167.10666	2.6
169.12270	3.3
171.10185	79.1
172.10548	2.6
183.01093	1.6
183.10185	6.5
183.13800	2.8
185.11781	15.4
197.11752	11.6
199.00665	1.7
199.13307	2.4
201.11259	13.8
209.11739	5.5
211.13359	1.9
213.11198	3.5
227.12880	4.5
229.14423	25.1
247.20644	1.8
291.19562	5.1
309.20718	4.7
327.16025	4.0
327.21744	100.0
328.22076	8.2
330.90009	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.67127	0.6
57.03323	1.6
58.00484	3.1
59.01252	3.5
69.03354	0.6
71.01237	0.9
71.39048	0.8
82.41224	0.6
83.04910	0.8
83.31438	0.6
85.02808	1.0
87.04388	0.7
97.06470	1.8
109.06490	0.9
111.08021	7.5
127.07559	1.3
149.50128	0.6
153.12741	1.3
169.12236	4.9
171.10207	5.3
177.12900	0.6
181.12254	2.7
185.11687	1.2
193.12268	0.8
195.14000	0.9
197.11763	43.0
198.12094	2.2
199.13348	6.4
209.11768	0.8
211.13367	7.3
212.13802	1.1
216.48929	0.7
221.11781	1.4
229.14433	1.7
239.16495	5.8
291.19629	5.1
309.20572	3.6
312.06586	1.0
327.21756	100.0
328.22110	9.6
342.84509	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1451
Annotation	Thymoquinol 2-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
54.00678	0.7
55.01759	4.7
57.03321	3.9
58.00465	1.7
59.01254	29.9
69.03315	0.9
71.01256	36.8
72.99189	2.6
73.02820	13.9
73.31988	0.5
75.00755	2.0
83.01258	9.7
85.02824	21.1
85.99948	3.1
87.00758	4.1
87.70380	0.7
89.02331	5.1
93.03352	2.0
95.01258	3.3
95.04948	0.9
95.49889	0.6
96.99168	0.7
97.02813	1.3
99.00768	6.5
101.02327	32.5
106.04124	4.7
108.02021	1.4
109.02842	20.9
109.88371	0.7
111.00762	1.5
113.02338	13.2
119.03375	1.1
119.04910	4.7
121.02796	0.8
121.06499	2.8
123.04439	0.8
125.02289	0.9
126.72102	0.7
129.01799	0.9
133.02866	1.2
135.04379	1.3
140.35661	0.8
141.01793	0.8
143.04948	1.0
159.02905	2.3
161.04477	5.1
163.03966	1.8
164.08289	1.1
165.09132	100.0
166.09471	5.9
177.01834	2.3
207.10298	0.7
251.03748	9.2
265.08704	1.4
281.04388	0.9
283.09717	1.0
297.04025	1.2
298.23636	0.7
320.71338	0.7
327.05081	9.1
327.08707	5.9
327.14496	87.8
328.14844	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	327.1447
Annotation	Thymoquinol 2-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.21605	0.5
51.57722	0.5
55.01679	4.0
55.01970	1.0
57.03247	2.5
57.04096	0.4
58.00394	1.3
59.01176	22.0
59.01507	2.5
69.03289	0.5
69.52828	3.1
71.01179	29.2
71.01603	2.0
72.99110	1.4
73.02812	10.2
74.64052	0.5
75.00693	0.7
77.03778	0.9
83.01257	7.6
85.02821	17.1
85.03320	0.7
85.99963	2.2
86.03124	0.5
87.00761	2.1
89.02306	3.6
89.56127	0.4
93.03335	3.7
95.01257	3.9
95.04906	2.7
97.02805	0.5
99.00752	4.6
101.02319	28.1
102.15582	0.5
106.04134	4.0
108.02028	1.1
111.00719	1.4
113.02322	11.1
119.03328	1.4
119.04862	1.1
121.01968	0.8
121.02834	14.2
121.06431	1.7
122.03152	0.5
123.04350	1.5
129.01805	0.6
132.02046	1.3
140.78218	0.4
143.03348	0.9
146.03624	1.2
147.04385	3.1
147.08043	0.8
148.01556	0.6
149.02339	100.0
150.02641	3.7
159.02844	1.2
161.04469	3.5
163.03918	0.6
164.04689	16.1
165.05498	5.0
165.09114	81.5
166.09500	3.4
169.26407	0.5
179.07043	1.0
223.09937	0.6
235.07744	1.1
251.07275	1.2
267.06741	0.5
268.07669	1.8
269.08456	1.9
280.07788	1.9
281.08234	0.6
283.09845	3.1
297.07602	2.8
312.10013	27.8
313.10400	2.5
327.14905	61.0
328.09821	0.5
328.15298	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1236
Annotation	Casuarinondiol
Peak:m/z	Relative Intensity
69.43442	1.4
69.43864	3.1
81.00927	0.5
83.53110	0.5
93.03329	3.5
108.02074	0.7
109.02837	2.5
119.04964	1.4
121.02844	21.0
122.03199	0.6
123.04436	1.1
131.04935	0.6
133.02882	1.0
134.03676	0.6
135.04471	1.5
139.97530	0.5
143.04926	0.7
145.02869	0.7
146.03705	1.0
147.04405	8.7
148.05174	1.9
149.02458	0.6
150.03142	0.8
158.03658	3.0
159.04385	2.5
162.03159	0.7
162.06825	0.6
163.03905	3.1
165.05508	0.6
170.47552	0.5
171.04523	0.7
173.02440	0.6
174.03154	0.5
175.03922	20.0
176.04634	1.7
185.06119	0.7
187.03876	1.1
188.04659	0.5
189.05556	1.4
190.06293	3.5
191.07060	4.4
195.08076	2.0
196.05243	1.1
197.06065	1.9
203.07066	0.9
205.06538	1.9
207.08055	1.5
209.05948	3.2
211.04060	1.2
211.07574	2.5
212.04774	1.4
213.05511	0.8
213.22430	0.5
219.04608	0.6
220.05296	1.0
221.06088	1.7
222.04996	3.4
222.06920	2.4
223.07614	8.0
224.04739	0.8
224.07938	0.6
225.05634	2.7
225.09082	1.0
226.06215	1.1
228.62373	0.5
232.05295	1.6
233.06049	6.5
234.06688	1.4
235.04018	1.8
235.07596	3.5
236.04659	1.7
237.05542	3.1
238.06300	1.3
239.03445	0.6
239.07101	7.0
240.04291	0.9
240.07742	2.1
241.05048	1.6
241.08717	1.7
245.06064	0.5
249.05540	6.6
250.06325	5.3
251.07114	14.9
252.07730	1.7
253.05051	1.5
253.08684	1.9
254.05728	2.1
255.06516	0.7
256.07355	1.0
261.05548	14.0
262.06296	3.6
263.07178	1.6
264.04309	2.1
264.07819	0.9
265.04938	1.2
265.08701	1.3
266.05688	0.6
267.06622	10.6
268.07364	5.6
269.08167	19.0
270.08630	1.4
277.05084	1.9
278.05841	3.3
278.09485	2.0
279.06607	31.9
280.07187	5.6
282.09039	1.9
283.06522	1.1
283.09738	7.1
284.10016	0.8
293.08154	1.4
294.08975	16.4
295.06204	0.9
295.09369	2.1
296.06885	3.1
297.07675	94.2
298.08087	7.2
298.11380	1.0
309.11304	26.0
310.11621	2.1
311.09186	4.8
312.10019	68.4
313.10379	5.9
327.12354	100.0
328.08881	0.7
328.12698	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1236
Annotation	Casuarinondiol
Peak:m/z	Relative Intensity
76.31196	1.1
76.98105	1.2
85.32596	1.2
93.03318	2.2
97.35074	1.5
109.02831	2.6
114.08659	1.2
119.04967	1.3
121.02841	24.3
135.04408	1.4
147.04405	4.4
158.03598	1.3
159.04353	1.7
163.03908	2.9
175.03923	24.9
187.03847	1.4
190.06271	9.0
192.94435	1.3
197.05859	1.4
203.07127	1.6
209.06065	2.1
211.07581	2.8
213.05257	1.2
221.05977	1.4
222.05099	7.4
223.07645	6.8
225.05507	2.6
233.06033	4.1
234.06572	1.4
235.03896	2.6
237.05588	2.8
239.07153	6.9
241.05061	2.2
241.08707	3.5
249.05606	3.7
250.06306	3.1
251.07095	12.0
252.07677	2.1
253.08727	2.1
254.05751	2.9
259.25031	1.6
261.05475	5.9
263.07092	1.9
267.06628	11.0
268.07321	4.2
268.38492	1.2
269.08167	26.4
270.08429	1.6
278.05966	2.6
278.09460	1.7
279.06604	21.0
279.09766	2.0
280.07220	2.5
281.08188	1.8
282.08926	2.7
283.09613	6.0
294.08969	14.0
295.09573	1.8
296.06918	1.4
297.07681	100.0
297.11057	5.6
298.07983	8.6
309.11285	32.4
310.11636	3.4
311.09277	3.6
312.10010	80.9
313.10370	6.5
327.12344	94.3
328.12726	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39138	0.4
53.59890	0.3
55.01810	0.6
59.01001	0.7
59.01328	5.4
65.34408	0.3
67.01821	0.3
69.83315	1.5
71.01334	4.3
73.02899	1.5
74.23469	0.4
77.03899	0.9
83.01335	1.6
85.02816	2.8
89.02393	1.0
89.90954	0.3
93.03335	2.8
94.98586	0.3
95.01280	2.4
95.04908	2.2
98.20512	0.7
99.00827	1.0
101.02323	4.6
105.03369	0.6
106.04140	0.6
108.02107	0.5
108.57115	0.3
109.09813	0.4
113.02344	2.2
117.22474	0.3
119.03435	0.6
121.02837	17.3
121.06456	0.3
123.04433	1.6
129.03323	0.6
132.02063	1.1
133.02834	0.5
137.02338	0.6
143.15245	0.4
146.03632	1.4
147.04445	3.1
148.01566	0.7
149.02342	100.0
150.02678	3.1
161.04503	0.7
161.05951	0.6
161.09575	1.0
163.07549	0.6
164.04700	16.8
165.04120	0.4
165.05489	4.9
165.09122	15.5
166.09329	0.4
172.48784	0.3
179.06984	1.0
179.10460	0.4
223.09615	0.7
234.06529	0.3
235.07445	0.4
240.07893	0.6
251.06787	0.9
263.06821	0.8
263.31235	0.3
264.07431	0.4
265.08316	0.4
267.06400	0.4
268.07312	1.7
269.07745	0.9
279.06381	0.7
280.07364	1.7
281.07697	1.1
283.09787	2.6
295.09454	0.5
297.07700	2.9
311.18802	0.4
312.10022	33.6
312.13437	1.7
313.10287	2.9
327.11783	25.4
328.12332	2.3
347.11700	0.4
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	Paeonoside
Peak:m/z	Relative Intensity
57.03321	1.1
59.01254	31.1
69.67558	8.4
71.00941	1.2
71.01258	12.0
72.99191	1.8
83.01260	1.8
84.22101	1.3
85.02827	13.1
87.00764	2.0
89.02311	12.9
93.03317	3.2
95.01271	2.3
98.20499	2.4
101.02322	8.0
109.02825	1.8
111.00764	3.5
113.02306	4.8
114.48290	1.1
118.09962	1.2
119.03378	4.3
119.04871	1.4
119.92604	1.1
121.02849	2.5
121.06435	2.3
123.04445	1.4
129.01828	4.5
135.04382	1.5
147.04419	100.0
148.04756	2.6
164.85060	1.3
165.01825	2.5
165.05482	50.9
166.05797	1.3
177.01831	1.4
297.36453	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.3
59.01254	0.8
65.00198	0.5
69.38164	2.7
70.32430	0.3
71.01238	0.7
73.85552	0.3
81.03327	4.5
82.01063	0.3
83.01255	0.9
85.02823	0.6
85.06461	1.3
87.04386	0.6
96.25944	0.3
107.01321	0.3
109.06474	2.5
111.04401	4.1
111.08057	0.5
125.02341	4.1
127.07574	0.8
133.06500	0.9
136.05186	1.2
137.02391	0.4
151.00249	0.7
151.07556	36.7
152.01053	0.4
152.07884	1.6
153.05400	0.3
165.05418	0.6
171.10181	2.1
177.05505	1.3
179.07079	0.6
191.07074	0.7
195.06567	100.0
196.06897	5.0
201.05554	0.6
204.86868	0.3
207.06616	0.6
209.08151	1.1
211.13437	0.8
219.06575	8.5
220.07011	0.5
221.08191	0.3
227.87807	0.3
237.07645	4.5
249.07642	3.0
265.18060	0.9
283.19226	1.5
309.10046	0.4
309.20819	0.4
327.05087	0.5
327.10907	10.4
327.17789	0.5
327.21735	10.0
328.11319	1.2
328.22159	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	37.5
65.37006	1.5
70.00410	5.5
71.01257	15.0
73.02819	9.4
78.56099	1.8
83.01259	3.9
85.02816	5.0
93.03329	3.4
95.01237	1.7
101.02335	13.4
108.02058	93.1
113.02308	2.5
119.04886	3.4
121.02841	3.1
123.00774	5.3
123.04411	100.0
124.04726	3.9
137.02338	2.4
147.04390	5.5
153.01868	1.7
153.84682	1.6
161.04471	2.2
163.03874	2.0
165.01794	2.9
165.05466	1.8
165.09117	1.7
240.04132	2.4
267.08658	11.3
268.03781	3.9
282.21454	1.7
283.06241	2.5
285.09882	12.9
289.25406	1.7
301.94894	2.0
327.08777	3.0
327.15143	4.0
327.21677	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	327.1086
Annotation	Paeonoside
Peak:m/z	Relative Intensity
56.08157	1.6
58.00471	2.6
59.01248	32.9
69.77639	7.8
69.78054	3.0
71.01256	23.1
72.99187	4.3
73.02824	2.4
77.14069	1.7
85.02822	6.6
87.00751	1.9
89.02311	21.2
93.03329	3.6
95.01281	2.6
101.02320	13.5
106.15584	1.8
109.02839	9.5
113.02314	7.9
119.03407	8.0
119.04915	6.6
121.02831	2.9
123.04404	15.3
133.02808	1.9
135.04468	3.5
147.04414	100.0
148.04758	4.6
149.04449	3.4
151.03888	9.7
161.62788	1.6
165.04196	2.5
165.05450	12.7
177.01897	2.2
179.03444	1.9
195.02866	2.3
242.77429	1.7
248.68312	1.8
255.91071	1.7
285.09683	2.3
327.05020	4.1
327.06793	2.1
327.10858	42.1
328.11374	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27815	2.9
57.03315	2.7
59.01239	5.2
71.58897	6.0
72.49647	2.5
116.45344	2.8
125.09617	4.9
127.11192	5.9
134.03630	5.2
141.12730	2.9
143.10678	4.2
151.11133	3.3
153.12743	10.4
169.12364	2.7
171.10188	64.6
172.10493	3.4
183.01112	8.7
183.10194	4.0
185.11740	8.1
193.04956	8.9
197.11716	7.1
201.11258	8.7
209.11787	3.1
211.13261	8.6
257.46866	3.1
262.60449	2.8
289.21570	5.6
297.16989	2.8
307.19275	4.7
307.22681	23.1
308.23083	3.9
325.18671	12.3
325.23807	100.0
326.24182	10.9
347.71597	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	327.0875
Annotation	Kaempferol 3,5,7-trimethyl ether
Peak:m/z	Relative Intensity
58.59026	0.5
59.01252	6.3
68.65659	0.5
70.75538	1.2
70.75899	0.8
71.01252	3.7
72.99188	0.6
73.02825	2.6
75.00748	0.6
75.06241	0.6
83.01267	0.9
84.47536	0.6
85.02829	1.3
87.00777	0.6
93.03339	35.4
94.03671	0.8
96.99192	8.0
99.00756	0.8
101.02335	2.7
105.03349	0.6
108.02056	2.9
109.02840	1.3
113.02335	1.4
117.03371	3.0
119.04916	29.5
120.05257	0.9
121.02844	1.4
123.04411	11.9
130.04143	2.2
131.04936	7.1
133.02837	6.2
133.06519	0.7
135.04427	0.6
137.02344	0.9
142.88011	0.5
143.04933	26.0
145.02856	4.5
145.06511	1.7
145.54852	0.6
147.04398	1.6
149.02348	0.8
159.03145	0.6
159.04442	1.5
163.03918	16.2
164.04388	0.7
165.05504	0.7
165.09171	1.2
171.04439	3.1
175.48700	0.5
177.53537	0.6
191.97337	0.5
208.06358	0.9
210.06995	0.5
211.07610	8.2
212.08015	0.8
221.09686	1.6
222.06900	0.8
223.07544	1.0
235.07564	5.1
236.08099	0.7
237.09140	10.2
238.09698	0.7
239.10820	1.3
247.07439	1.2
263.07104	1.0
264.07925	1.1
265.08701	28.4
266.08994	2.1
267.08752	1.6
283.09747	3.5
285.04453	0.5
285.09756	2.0
309.07651	7.3
317.02966	0.7
327.08740	100.0
328.09091	9.9
328.12848	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47974	1.0
57.03330	1.9
59.01246	2.9
59.85611	1.0
66.49004	0.8
67.76030	1.0
69.96904	0.9
71.01253	1.1
83.04871	1.6
86.53212	0.9
97.06456	2.5
98.20565	2.0
99.07994	2.4
102.44743	1.0
113.09601	1.2
119.04856	1.3
121.10121	5.6
123.08052	3.4
125.09593	1.9
127.11147	1.2
134.03598	2.2
139.11185	20.3
149.09598	2.7
151.11188	14.5
155.10661	2.3
163.11214	1.2
165.09114	1.1
165.12749	2.1
167.10695	2.1
171.10176	37.1
177.12770	12.7
183.01102	7.4
183.10172	10.4
193.04947	2.2
193.12250	3.2
197.02769	4.7
197.11676	1.1
242.85312	1.1
249.22331	1.1
275.20178	16.5
276.20459	1.2
293.21198	19.2
307.19269	1.6
307.22772	30.5
308.23096	3.4
325.18375	17.8
325.23825	100.0
326.18860	1.6
326.24170	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	325.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	8.1
68.51726	1.7
68.54412	1.8
69.03313	2.0
70.56049	2.0
71.01264	3.0
71.14421	4.3
75.54666	1.9
87.70414	2.2
87.70945	2.1
96.97419	2.0
97.06468	2.6
108.97482	2.0
119.04952	3.4
121.10124	7.4
123.08051	5.5
125.09658	2.3
125.98020	2.1
134.03647	5.0
138.64146	2.1
139.11186	10.3
151.11191	21.0
155.10771	2.1
171.10194	43.4
177.12787	7.7
183.01122	29.3
183.10205	21.4
184.01720	2.5
193.04958	4.3
197.02733	18.7
205.15753	2.1
261.28088	2.2
275.20193	18.1
290.04828	2.3
292.05350	2.0
293.21225	9.3
307.22739	27.7
308.23157	2.9
309.03995	3.0
325.18445	80.8
325.23849	100.0
326.18765	8.0
326.24197	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	325.2019
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
53.03889	3.5
54.59557	3.6
56.13987	3.3
57.03329	18.2
59.01240	18.8
60.93373	2.8
65.03848	7.5
69.03318	23.7
71.01286	4.4
71.04894	23.2
71.37743	3.1
71.59679	4.6
71.60048	3.9
73.02833	5.8
79.05402	6.8
81.03355	5.5
83.04906	23.3
87.04398	9.0
95.04908	11.8
97.06461	25.1
106.04121	5.9
109.06484	16.8
111.08066	4.9
112.98682	4.4
114.27741	3.6
119.08542	6.0
121.06486	8.3
123.08055	24.7
125.09632	21.8
127.07531	4.1
134.03632	25.2
135.08076	11.5
137.09612	5.8
141.09134	4.8
153.09120	7.2
155.10645	4.7
163.11192	6.2
171.10179	78.1
183.10274	8.3
185.11761	98.8
191.14275	4.6
193.05000	27.6
194.05481	4.2
197.11771	12.5
201.11249	22.3
207.13867	6.2
209.11740	63.7
209.15279	4.5
210.12079	5.4
211.13365	15.9
219.13870	36.2
235.13429	31.6
237.14874	29.1
239.16364	4.4
245.19044	5.7
249.14989	8.6
255.15930	4.5
267.16089	8.1
289.18240	18.2
307.19159	14.4
310.08377	5.9
325.10654	9.9
325.20248	100.0
326.20529	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2021
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
57.03346	17.3
59.01248	39.1
61.98717	15.3
71.57892	15.2
77.12656	13.8
125.09607	95.0
137.09608	53.9
155.10757	21.6
183.01172	27.6
195.14529	13.4
205.83440	13.0
307.19220	100.0
325.14749	14.9
325.20148	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	325.2172
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
59.01243	0.4
64.21981	0.4
69.81139	0.3
70.76719	0.3
71.04906	0.4
71.21519	1.1
71.83243	0.3
79.05901	0.4
93.23192	0.4
119.04970	0.8
133.06483	0.5
133.35510	0.4
143.88246	0.4
149.09630	91.9
150.09950	3.8
163.11205	100.0
164.11528	5.5
183.01141	16.7
184.01768	1.3
197.02727	1.5
216.00873	0.6
307.26379	0.4
325.18384	26.4
325.21814	82.8
326.18698	3.0
326.22147	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.202
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
59.01252	98.4
63.81557	19.0
71.01263	24.5
71.58792	26.2
81.74532	19.9
83.91661	20.2
85.02818	25.7
85.98226	20.5
97.06497	25.9
108.48297	24.5
109.01049	21.3
119.04922	23.8
134.03648	100.0
135.08043	41.1
149.06017	23.9
171.10158	46.3
179.48019	20.9
183.01088	40.7
193.05025	95.5
194.46194	21.6
209.11789	23.6
225.30724	22.2
237.14844	53.3
289.18167	44.1
307.19211	47.3
325.20190	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	13.0
59.01238	7.0
65.03813	4.4
69.03320	5.4
69.80286	5.6
69.80698	5.7
70.55262	2.0
71.01217	2.1
71.04889	12.0
73.84721	1.9
79.05386	2.7
81.03326	4.4
81.99685	2.2
82.10233	2.1
83.04902	13.4
84.02055	3.1
85.02827	6.0
85.06467	4.5
87.04367	2.2
93.45972	2.1
95.04887	11.6
97.02813	3.0
97.06483	12.5
106.04123	4.4
107.04911	2.0
109.06457	9.1
111.04425	10.5
121.06405	2.6
123.08057	8.2
124.05077	2.1
125.09603	7.4
127.07526	5.8
134.03583	2.3
135.08061	16.4
141.09122	2.2
149.09494	2.1
151.11150	2.9
153.09091	12.2
163.11192	4.2
171.10176	68.4
172.10452	2.6
177.12721	2.6
181.12270	4.3
185.11768	10.5
191.14261	2.2
193.04979	2.6
193.12288	5.7
194.39087	2.4
195.13763	3.5
197.11740	12.7
201.11174	4.0
205.16023	2.6
209.11769	26.7
211.13379	18.5
219.13736	2.2
221.11798	3.5
227.12750	6.4
233.11551	3.8
235.13333	6.0
237.14903	9.4
239.12857	2.4
245.19081	7.7
249.14944	13.9
257.45129	2.0
267.15866	4.0
289.18057	17.1
290.18307	2.3
307.19196	23.5
325.20197	100.0
326.20618	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2021
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
53.82314	5.1
57.03324	9.7
58.00491	7.5
59.01252	24.7
69.03336	5.6
71.01234	6.6
71.04897	7.5
81.03343	9.8
83.04920	12.4
84.02019	7.0
89.88844	5.4
97.06474	12.3
99.04388	10.6
109.06488	11.2
111.08036	5.1
113.05982	7.0
115.07532	16.0
123.08066	8.6
125.09590	6.7
126.87840	6.3
127.07569	10.6
134.03633	24.7
135.08035	9.5
137.02473	6.0
139.11185	8.6
139.95267	5.5
151.11180	18.9
153.09117	8.5
153.12770	18.7
165.12773	6.2
169.12260	5.5
171.10167	43.1
172.10683	6.4
183.01070	15.6
185.11699	8.2
191.14447	5.0
193.04976	30.4
197.11783	31.1
199.13300	25.7
201.11278	18.7
209.11781	23.4
211.13351	26.1
215.12799	33.7
227.12817	100.0
229.14421	61.2
229.80388	6.6
235.13388	19.9
245.19054	6.6
253.14348	16.2
263.20203	14.6
281.21173	9.1
289.18073	17.2
297.20776	8.5
307.19046	40.9
308.19199	7.1
325.14581	12.3
325.20270	88.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14660	1.3
57.03329	9.8
58.00463	3.4
59.01247	7.6
59.85876	1.5
67.78023	1.5
69.03320	4.0
70.09201	3.2
70.09605	5.2
71.01256	3.9
71.04922	7.1
80.02567	3.8
81.03323	1.7
83.04890	3.5
84.02055	2.0
87.04379	4.5
91.05423	2.1
95.04890	2.0
97.02856	2.4
97.06458	4.0
109.06492	23.4
111.08056	12.9
113.12339	1.4
123.08055	3.3
125.06005	3.2
125.09621	12.6
127.07539	1.7
127.11173	4.9
134.03656	1.8
137.09586	4.9
141.09088	2.0
151.11179	4.5
153.09146	2.3
155.10681	3.2
157.70540	1.7
160.47092	1.5
165.09068	2.7
167.10715	3.7
169.12288	6.2
171.10168	13.0
181.12262	5.5
183.13795	3.8
185.11777	3.4
193.05052	3.6
193.12270	2.6
195.10120	1.9
197.11781	35.3
199.13309	4.4
201.11263	43.9
209.11821	3.6
211.13358	28.3
213.11273	24.6
227.12825	3.4
233.11539	2.6
235.13359	5.5
237.14929	14.8
237.98915	1.4
245.19092	2.9
249.14973	2.6
264.68219	1.5
289.18109	18.5
307.19107	24.7
308.19427	1.8
325.20200	100.0
326.20566	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	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	4.0
69.03331	1.8
69.95805	1.6
71.01264	5.6
71.04877	1.9
71.35853	2.8
80.02502	2.2
81.03328	2.1
83.04919	10.2
84.02059	4.1
88.98678	2.3
97.06496	2.4
99.08034	3.2
104.71646	1.5
111.08073	2.5
115.07533	1.6
125.09611	2.5
127.07539	16.2
139.07532	3.7
155.10721	2.5
157.08632	2.9
159.14006	1.5
163.11208	6.1
165.12733	4.3
171.10199	4.4
178.09972	2.9
185.11729	18.9
191.10748	2.7
193.04990	3.7
195.10262	5.4
197.11786	17.4
209.11775	100.0
210.12155	6.9
211.13383	3.8
227.12866	3.5
233.11584	3.0
238.12068	6.0
255.12265	2.0
256.13205	3.5
265.07550	1.4
289.18240	7.3
307.19153	67.5
308.19543	5.3
310.18979	1.5
325.20221	29.8
326.20471	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	325.2021
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
57.03318	13.3
59.01246	11.6
65.03834	10.1
69.03324	21.0
71.01260	3.3
71.04893	55.2
73.02845	3.0
76.61269	2.2
78.95776	3.1
79.05396	5.8
81.03328	6.5
83.04894	40.9
83.10546	2.2
85.02835	2.2
93.06971	3.8
95.04904	7.4
97.02827	3.4
97.06468	25.0
101.02348	2.1
105.06964	4.4
106.04110	4.0
109.06482	7.6
111.08043	5.2
121.06468	17.1
123.04434	4.1
123.08051	51.1
124.08398	2.7
125.09615	14.1
133.06502	3.6
134.03651	13.7
135.08055	12.4
137.09628	3.1
141.09152	10.5
150.99950	2.2
153.09113	7.0
155.10709	4.8
163.11168	2.9
164.08269	2.9
169.80865	2.3
171.10188	100.0
171.46057	2.2
172.10507	3.2
183.10162	10.5
185.11772	40.1
193.04999	17.2
197.11821	4.3
201.11295	28.8
209.11879	13.1
211.13243	14.7
213.11313	2.6
233.15489	3.2
235.13354	45.2
235.15540	3.6
237.14922	4.3
245.19151	5.7
249.15030	11.7
267.16040	5.1
289.18024	17.9
301.64288	2.6
307.19199	11.9
325.11151	3.5
325.20209	87.8
326.20648	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	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92586	14.9
56.98277	13.1
57.03312	15.1
58.13840	13.2
59.01252	38.4
70.18666	70.9
71.01254	40.0
72.89902	14.4
77.14388	12.2
79.49121	13.3
105.20253	19.4
107.08663	17.0
125.09589	35.3
134.03651	59.8
135.08023	22.9
151.11267	15.3
153.09166	23.4
165.12733	16.2
165.51250	14.7
171.10228	100.0
183.01143	34.3
185.11732	66.4
190.07442	15.2
190.12303	37.3
193.05011	52.7
205.41714	14.0
209.11783	20.2
307.19186	23.2
311.72470	16.9
325.14703	32.1
325.18466	49.3
325.23993	25.9
326.17725	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	325.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	2.0
57.03325	2.4
58.84721	0.5
59.01252	4.8
60.90218	0.5
71.01257	35.2
71.57729	1.1
72.99175	0.8
73.02817	8.3
78.37409	0.5
83.01256	3.4
85.02824	16.6
85.03349	0.8
87.00732	0.8
89.02295	0.8
95.01226	2.6
99.00754	4.1
101.02324	15.2
113.02328	14.5
113.03062	1.0
114.65267	0.6
118.57817	0.6
121.02843	1.3
121.06518	0.6
125.02324	0.7
133.26823	0.6
135.04431	1.1
143.03407	1.2
147.04422	1.9
148.05206	100.0
149.05577	3.9
159.02975	3.3
161.04474	10.6
163.03969	4.9
163.07558	48.1
164.07919	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	325.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	100.0
69.87861	48.9
69.88274	60.0
82.15658	18.2
98.20551	28.4
101.02306	31.1
119.04905	82.6
131.01027	17.4
135.68738	15.9
138.43262	17.1
163.03914	37.9
180.08475	21.9
194.23399	17.7
198.82101	19.7
265.12872	20.4
306.47760	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	325.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65897	3.4
59.01252	74.9
63.53332	3.7
63.86252	3.6
69.76488	28.6
69.79841	3.6
71.01254	9.6
81.23374	4.0
85.02782	5.2
87.00727	8.3
101.02320	10.1
117.03312	9.3
119.04910	35.3
121.13071	3.8
134.03633	100.0
149.00780	10.8
149.05969	4.7
150.44141	3.7
161.04507	8.6
163.03896	18.1
193.04999	67.8
194.05376	6.9
225.59207	3.8
265.12918	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1081
Annotation	Moracin O
Peak:m/z	Relative Intensity
59.01243	0.6
59.93846	0.5
62.45496	0.6
68.56248	0.5
71.05988	1.4
74.31755	0.6
93.03348	0.9
119.04931	0.7
121.02814	1.7
127.46623	0.5
135.04482	0.6
145.02872	0.7
158.03574	0.6
159.04320	1.1
167.08488	0.8
169.06526	0.5
173.02325	1.9
187.04041	0.7
193.06494	1.4
194.07198	0.7
195.04369	2.9
195.08101	3.3
196.05286	2.7
197.06006	2.1
207.04498	0.7
209.06032	1.9
210.06683	0.6
211.03934	1.4
211.07558	3.1
212.04662	0.8
220.05205	1.3
221.06032	6.6
222.06665	1.7
223.03946	1.9
223.07469	2.9
224.04707	3.0
225.05466	1.5
227.07056	0.7
232.05385	0.7
237.05524	12.5
238.06268	5.4
239.07066	9.1
248.04736	2.3
249.05536	9.1
250.06277	3.6
251.03429	2.7
251.07059	3.3
252.04103	1.6
253.04883	1.0
265.05011	4.7
266.05771	4.6
267.06613	42.5
268.06934	2.8
277.05029	3.7
278.05734	1.3
279.06705	3.1
280.07370	0.8
281.08276	2.7
294.05298	1.2
294.09024	1.3
295.06094	100.0
296.06470	7.0
309.07782	3.7
310.08444	77.9
311.08759	6.1
325.10791	90.0
325.20062	2.3
326.11111	8.5
343.14233	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0931
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
57.03307	1.4
59.01251	5.9
69.73135	8.8
70.31765	1.2
71.01255	2.3
85.02882	1.3
87.00754	1.6
98.20471	1.4
117.03360	1.9
119.04926	100.0
120.05235	3.9
127.24964	1.3
134.03616	12.4
135.04292	1.3
144.22968	1.3
163.03923	71.2
163.07619	3.8
164.04256	2.9
193.05022	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	325.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40492	0.7
55.01788	0.7
58.00461	1.7
58.28412	0.7
59.01255	32.4
60.25126	0.7
62.66445	0.6
65.99709	0.9
69.60557	4.2
69.60968	1.3
71.01256	20.4
72.99171	3.2
73.02815	1.1
74.20558	0.8
75.00715	1.3
80.45003	0.8
83.01263	1.8
85.02834	5.2
87.00764	1.8
87.49988	0.8
89.02324	16.0
95.01269	2.0
97.64087	0.8
98.19889	1.4
99.00788	0.7
101.02325	13.1
108.02052	0.8
112.98685	1.5
113.02365	5.0
117.03379	4.1
117.04456	1.4
119.03416	4.1
119.04909	3.0
122.03628	1.6
132.03151	1.2
134.03642	6.7
145.02861	16.2
145.03966	100.0
146.04369	3.9
147.05544	18.2
149.05994	1.2
157.20227	0.8
161.03481	2.5
162.04251	4.0
163.03868	4.9
163.05046	3.2
163.07570	4.3
176.03282	1.0
176.04735	11.7
191.07071	10.4
193.04929	5.6
205.06133	1.7
226.86620	0.8
235.05986	0.8
265.08136	2.1
295.95428	0.9
325.10400	98.8
326.10828	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	325.0927
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
52.15693	0.7
59.01240	1.8
71.12194	1.6
73.57880	0.7
81.96062	0.8
93.03274	0.8
117.03337	6.0
119.04911	100.0
120.05249	3.9
134.03491	0.8
145.02856	25.9
163.03914	76.9
164.04225	3.0
169.01297	1.1
172.20448	0.7
187.03903	0.9
192.92618	0.7
195.77063	0.7
205.31845	1.0
241.12320	0.9
242.67171	0.8
268.55377	0.9
270.60690	0.8
325.09109	1.0
329.60480	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.093
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
59.01240	4.6
66.95000	2.9
68.10812	3.0
71.57410	4.3
71.57768	4.6
76.22612	2.8
81.88182	3.4
82.31291	2.9
90.67300	3.8
103.10935	3.2
119.04922	100.0
134.03682	5.1
150.17136	3.2
163.03911	65.0
215.57161	3.4
219.37737	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.5
64.75896	0.6
70.79145	2.1
71.01253	1.1
87.00737	0.6
89.02298	1.5
89.03834	3.0
117.03339	11.3
134.03633	100.0
134.23386	0.6
135.03949	3.4
137.02409	0.9
140.91373	0.6
149.04486	4.6
149.05994	5.8
178.02531	1.1
193.04993	73.6
194.05299	3.3
246.68350	0.6
251.63499	0.8
325.02527	1.3
326.02927	4.7
334.08383	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.6
59.01250	12.3
59.83375	0.4
71.01243	1.6
71.57808	1.0
72.99187	1.9
73.02824	0.6
73.43377	0.4
77.44802	0.4
78.01552	0.5
85.02809	1.3
87.00748	8.2
89.02323	1.1
89.03838	2.4
99.04388	0.6
101.02322	2.2
103.00242	2.9
106.04099	0.9
108.72695	0.4
112.98698	9.2
113.02303	0.9
117.03345	8.1
118.03687	0.6
119.04913	0.8
121.02828	0.5
125.82532	0.5
133.02852	0.6
134.03635	100.0
135.03970	3.8
137.02348	0.8
149.00827	5.0
149.05983	7.5
151.53607	0.5
159.71570	0.4
161.04572	0.5
163.06006	0.9
163.90585	0.5
178.02635	4.8
181.07115	1.2
193.05002	78.2
193.77788	0.5
194.05310	4.1
231.06944	0.4
240.45966	0.4
325.05753	0.6
325.11099	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	9.4
67.10858	0.9
69.82155	6.0
87.00738	8.5
89.03866	3.0
98.19792	1.7
103.00242	2.7
112.98696	10.1
114.12360	0.9
117.03349	10.4
119.04868	2.4
124.79773	1.0
134.03635	100.0
135.03964	2.5
149.00803	4.6
149.06018	7.0
178.02615	3.5
193.04994	79.5
194.05302	3.4
207.08878	0.9
328.75302	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60134	0.7
55.56274	0.7
59.01255	10.1
59.47550	0.6
66.75610	0.6
69.28090	6.6
72.99188	1.4
76.65015	0.8
77.13223	0.7
78.02507	0.7
84.99181	0.9
87.00754	10.1
89.03860	2.2
94.07422	0.7
103.00246	3.2
112.98690	11.9
117.03342	8.6
119.04922	3.3
130.99783	0.9
134.03641	91.4
135.03984	2.6
137.02350	1.4
149.00839	3.0
149.06010	9.1
150.06308	0.7
153.04536	0.7
163.03955	3.0
163.27934	0.6
165.24953	0.7
178.02628	5.2
193.05000	100.0
194.05339	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	325.0929
Annotation	MEGxp0_000552
Peak:m/z	Relative Intensity
59.01252	5.6
64.90416	0.5
69.81745	3.3
71.01231	2.8
89.02322	1.7
96.24860	0.5
98.20546	0.7
101.02293	1.0
113.02332	0.6
117.03342	21.4
118.03748	0.8
119.03428	0.5
119.04895	4.9
121.02818	0.5
133.06493	0.7
145.02850	100.0
146.03185	4.5
159.04408	0.7
161.05956	1.5
163.03908	7.2
187.03928	3.1
205.05006	1.4
217.05096	0.5
265.07117	1.6
321.84912	0.5
325.09250	2.9
333.47760	0.5
347.18436	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	3.1
60.70437	0.4
63.02286	1.1
65.00197	2.7
71.59646	0.7
83.01254	1.9
91.01752	0.6
93.03320	0.6
95.01247	0.6
96.29044	0.5
104.31578	0.5
107.01300	3.2
109.02823	1.5
117.03342	3.5
123.38920	0.5
130.04144	0.5
132.02048	1.1
133.02856	3.0
134.03627	1.7
135.00729	0.7
143.04964	0.8
144.04486	1.0
145.02835	0.9
148.01614	0.9
149.02333	1.4
151.00282	5.8
152.67982	0.5
155.04939	0.6
158.03656	0.6
159.04425	1.8
161.02339	0.8
162.01840	1.0
163.00270	0.7
164.00948	0.6
166.73630	0.5
167.04956	0.5
169.06485	1.2
171.04510	0.5
172.03920	0.8
176.01215	2.5
177.01823	2.4
180.05714	0.6
181.06451	1.4
183.04451	2.9
187.03915	0.8
189.09134	1.6
193.04852	1.1
197.06129	2.5
197.07768	0.5
199.03917	1.1
200.04797	0.7
201.05487	2.5
204.03027	0.8
209.05992	0.9
211.04060	2.4
213.05579	1.2
214.02664	0.5
223.03944	0.6
224.04669	0.8
225.05524	4.9
227.03455	25.0
228.03908	2.4
229.04988	1.6
231.01874	0.5
238.05099	0.7
239.03427	0.6
240.04265	1.2
241.05083	3.8
253.05119	4.5
255.02972	21.7
256.03708	7.0
257.04257	0.7
268.03558	1.0
269.04550	100.0
270.04880	7.7
279.02789	1.1
282.17233	0.8
283.09723	1.8
284.03265	23.7
285.03653	1.4
296.05542	0.6
297.04013	8.0
306.04224	0.9
324.05124	32.1
325.05319	1.9
325.10800	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2227
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
52.15914	1.6
57.03325	3.4
59.01243	7.4
67.01744	1.3
69.03324	8.8
70.78563	4.2
71.01252	2.3
71.04866	1.8
83.04900	3.1
93.03342	1.8
95.04921	1.8
97.06485	4.6
107.08525	2.1
111.08035	2.4
119.08550	27.9
121.06519	2.0
121.10127	3.3
123.08022	1.8
125.09610	6.0
127.11174	2.2
135.08035	1.8
137.09618	51.1
138.09947	2.5
139.07608	2.0
139.11143	1.7
146.75912	1.6
149.09633	2.5
151.11153	5.0
153.09123	2.4
155.10658	3.0
163.11224	3.6
165.09064	1.7
169.12263	2.5
171.10181	87.3
172.10490	2.3
175.11090	1.6
177.12804	13.1
183.10202	2.4
185.11803	3.1
197.11850	2.8
203.14377	4.1
209.11743	3.2
221.11676	1.7
229.19576	4.5
247.17073	1.7
247.20499	2.6
273.18588	37.2
274.19006	2.6
276.58551	1.9
291.19675	41.2
292.20056	3.2
305.21207	34.3
306.21579	2.1
323.22263	100.0
324.22644	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2227
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
55.97520	1.0
57.03302	3.0
59.01252	7.8
69.03307	1.6
70.13146	3.8
70.32749	1.1
71.01257	2.4
71.04893	9.4
81.28723	1.3
83.04897	2.0
85.02833	1.4
89.02328	1.3
93.03349	1.3
93.06960	2.2
97.06473	3.1
111.08005	1.4
119.08539	5.0
121.02815	1.1
121.10122	15.9
123.08032	2.7
125.09605	12.0
127.11175	1.2
135.08067	1.7
137.08679	1.7
137.09631	19.2
138.06743	1.0
141.12746	1.4
147.08086	1.4
148.08763	1.5
149.09671	5.4
163.11206	3.3
165.01831	1.2
165.12697	1.4
171.10173	24.3
185.11774	17.0
197.11772	4.4
207.10258	1.7
209.11713	2.2
211.13333	2.6
217.15933	4.5
239.12904	1.4
247.13307	1.5
247.20630	1.7
248.20763	1.2
273.18607	7.2
281.84964	1.3
289.17993	1.2
291.19653	100.0
292.20013	7.4
305.21219	36.3
306.21552	2.8
323.22266	52.8
324.22617	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1863
Annotation	Hynapene A
Peak:m/z	Relative Intensity
57.03009	2.2
57.03307	4.4
59.01250	19.3
69.03314	2.8
71.01268	4.4
71.59361	3.1
80.02531	4.6
81.03329	3.4
82.22527	1.9
83.01254	2.3
83.04897	9.8
95.04897	5.5
97.02833	2.4
97.05869	4.4
97.06467	59.2
109.06477	45.2
110.03625	2.5
120.05722	4.2
121.06473	2.2
122.03587	2.5
123.08013	9.9
125.09615	64.9
135.08078	25.5
137.09647	2.5
153.09070	2.5
154.43282	2.4
161.04633	1.6
161.05986	45.0
162.06334	2.3
163.11182	6.3
171.10107	4.0
181.12286	6.0
185.11746	3.6
207.10246	18.8
209.11745	6.5
223.13394	4.5
225.11249	18.2
243.17458	2.7
261.18555	4.7
269.15549	3.8
277.18002	5.1
279.16010	87.6
280.16422	4.7
287.16534	25.1
295.19171	2.8
305.14032	5.1
305.17572	100.0
306.17941	9.4
322.64529	2.2
323.18683	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	323.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43107	2.8
57.03330	15.7
59.01246	9.0
71.04892	3.3
71.06183	7.5
73.02837	2.9
73.13832	2.7
75.13266	2.3
83.04899	3.5
95.04897	58.7
97.06469	12.5
107.04857	3.7
109.06476	11.0
116.43232	2.6
120.00429	2.2
121.02881	4.4
123.08007	5.1
125.05981	6.0
125.09617	27.6
134.45787	3.0
135.08054	33.2
163.11209	9.2
179.14328	10.8
185.11737	14.5
197.11833	4.6
207.10138	8.3
209.11726	7.5
211.13261	3.9
223.13359	100.0
224.13687	8.7
263.16531	5.4
265.14426	36.3
266.14642	3.5
284.59763	2.9
287.16425	3.3
298.89810	2.6
305.17505	22.1
323.02194	7.3
323.15201	3.9
323.18613	8.9
323.52225	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	323.2226
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
50.96697	0.5
57.03325	0.5
59.01003	0.6
59.01242	3.3
71.01270	1.1
71.37695	1.1
79.46086	0.6
83.00723	0.6
85.02849	0.7
90.44455	0.6
97.06462	0.6
113.02338	0.7
121.02891	0.7
122.03703	0.7
123.04366	0.7
137.06021	1.3
137.09744	0.8
150.75240	0.6
156.04169	0.8
158.86897	0.6
160.63519	0.5
165.09132	2.1
165.12814	1.3
171.10178	0.8
181.12314	0.6
185.11887	0.7
189.12814	0.7
193.12239	0.8
235.13361	0.8
245.75746	0.5
261.19894	0.6
261.22189	3.9
273.18585	0.8
279.23221	1.0
287.20123	1.1
291.19647	1.3
305.21225	100.0
306.21530	6.9
323.22263	19.0
324.22607	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	TOFA
Peak:m/z	Relative Intensity
51.83762	0.8
59.01234	2.2
61.12991	0.7
71.21943	1.8
79.95631	0.8
85.06468	2.1
121.02837	0.8
171.10164	2.0
183.01160	1.3
193.15886	2.7
196.68265	0.7
198.31358	1.0
209.02673	1.9
219.13805	1.0
220.14706	1.3
223.04233	1.2
237.05911	1.6
237.14917	18.5
238.15202	1.3
247.74231	0.8
265.14536	0.7
305.21167	3.3
321.20364	0.8
323.16821	24.2
323.22250	100.0
324.17114	2.2
324.22598	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	323.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	8.1
59.01273	10.2
67.01813	2.1
69.03321	4.0
71.04894	100.0
71.36290	3.3
80.02528	3.9
81.03334	8.7
83.04887	6.7
85.62241	2.2
93.03330	4.8
95.01211	2.5
95.04900	23.6
96.95867	2.4
97.06464	4.1
109.02824	9.2
109.06479	17.6
110.03648	4.6
111.04411	12.5
111.89066	2.0
113.13982	2.2
121.02882	2.9
121.06483	6.5
122.03608	3.8
123.04388	5.4
123.08072	4.5
125.09575	4.8
127.07485	3.7
133.06491	8.9
135.04448	2.1
135.08044	6.2
137.05914	1.9
147.04407	2.4
151.07552	22.3
161.05939	3.7
165.09096	6.8
165.12865	2.9
171.08769	2.8
171.10178	38.8
172.84769	2.3
185.11754	3.1
189.12778	8.6
193.12267	2.6
199.13327	3.7
205.15904	4.6
211.13309	6.9
231.13969	2.6
233.08168	2.9
233.11745	8.7
243.17462	18.2
249.14914	9.8
251.13069	2.4
275.38101	2.0
287.16541	54.5
288.16776	3.4
305.17648	24.7
306.17795	3.8
323.18610	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	323.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	6.1
59.01255	11.4
60.64025	1.4
69.03302	2.6
71.01258	3.3
71.04528	2.1
71.04895	28.7
71.56145	3.2
73.02813	2.5
81.03313	2.6
83.04888	3.5
85.02813	2.4
85.59443	1.7
95.04906	49.1
96.05201	1.7
97.02827	2.1
97.06469	10.7
107.04908	2.6
109.02789	2.0
109.06478	31.6
111.08006	2.1
119.04919	2.2
121.02821	2.6
121.06450	2.1
123.08020	2.9
125.09592	4.4
127.11152	3.7
135.08070	11.9
140.85686	1.4
149.05971	1.8
151.07550	9.7
151.11208	4.1
153.09021	1.8
161.09590	1.6
165.12643	2.2
169.28604	1.6
171.10191	100.0
172.10510	5.1
177.12750	5.1
185.11789	1.8
189.12761	13.5
209.11795	11.2
211.13391	3.4
223.13397	2.9
233.11794	14.0
235.13251	1.8
243.17670	1.7
249.14923	28.1
250.15417	2.6
263.16406	5.6
280.17542	1.6
287.16492	7.9
305.17615	22.0
306.17993	2.5
323.18613	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92330	0.7
57.03317	0.8
58.00462	1.3
59.01251	100.0
67.27523	0.9
71.01252	21.2
71.13898	2.0
72.99184	1.3
73.02842	1.4
83.01279	1.3
85.02827	5.5
87.00768	1.6
89.02322	22.1
89.02837	1.9
95.01283	1.5
101.02334	11.9
113.02327	8.6
119.03382	7.5
119.12292	0.9
123.20370	0.8
143.03397	1.1
143.07074	4.3
161.04518	1.6
179.05481	1.8
183.78415	1.1
323.13480	20.4
324.14035	1.8
343.56491	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72374	1.0
59.01253	100.0
60.01609	1.1
71.01258	1.9
71.59874	1.9
71.60245	1.2
73.02798	1.6
85.02830	3.7
87.20184	1.0
89.02284	1.2
94.64442	1.0
99.43241	1.2
101.02316	2.0
103.70850	1.1
116.60492	1.1
124.37868	1.1
160.99123	1.1
161.04443	1.7
172.21834	1.3
189.79883	1.1
263.14960	4.7
323.14597	1.3
345.13553	1.3
345.69479	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1864
Annotation	Hynapene A
Peak:m/z	Relative Intensity
50.45858	4.9
57.03322	11.8
59.01256	27.2
71.01254	7.0
71.04893	14.9
71.57828	7.1
73.02820	5.5
79.95589	7.5
81.03326	9.8
83.01263	17.5
83.04892	16.8
93.03355	7.5
94.41428	5.3
95.04893	30.7
97.06476	22.5
99.92457	5.0
109.06536	6.4
121.02847	22.3
123.04424	7.4
125.09618	28.6
135.08032	19.5
153.09113	6.3
163.11220	10.8
165.01822	10.9
165.12810	5.7
165.74486	5.2
167.10669	4.9
185.11761	22.4
191.10693	5.9
203.14336	8.0
209.09917	6.2
209.11789	100.0
210.12164	7.5
211.07648	4.9
212.25156	6.1
221.11783	6.5
223.13387	6.7
225.11342	5.4
237.14902	40.2
243.17543	8.0
247.13307	9.9
265.14307	30.4
283.04361	12.5
287.16553	16.9
305.17606	21.7
323.02176	17.9
323.18616	56.2
324.18777	8.0
340.89294	5.9
349.97501	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	323.1863
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.96945	5.0
57.03320	19.2
59.01247	37.7
68.71299	4.5
71.01248	10.2
71.04886	21.7
71.58878	7.7
72.71991	3.9
73.46641	4.8
81.03318	5.8
83.01294	4.6
83.04912	6.7
84.97633	5.6
85.02812	11.1
85.52297	4.6
95.04892	16.9
97.06454	8.1
101.05972	10.2
109.06465	14.3
121.02821	6.4
141.45627	4.5
146.02390	5.4
153.09091	6.6
159.33261	4.9
171.10118	6.4
172.21498	5.3
177.12746	11.4
189.12776	8.5
195.13824	11.5
221.11790	9.8
221.23235	5.3
235.13614	5.3
237.14917	100.0
243.17503	10.7
249.14986	13.9
267.16028	7.5
287.16565	37.0
291.19873	8.8
305.17557	81.3
305.21185	40.8
306.17938	7.0
323.18527	13.4
323.22275	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	3.9
57.03330	5.5
59.01254	82.4
66.10208	2.3
71.01255	100.0
72.99177	7.2
73.02817	9.3
83.01248	5.3
85.02821	30.3
85.99970	3.6
87.00760	7.6
89.02325	42.8
95.01280	3.4
99.00763	3.9
101.02321	42.2
110.05400	2.7
113.02339	28.2
119.03380	17.4
123.53086	2.4
129.01830	3.2
143.03368	3.9
147.06537	22.0
161.04463	17.9
173.08116	6.7
179.05424	3.3
181.90811	2.6
263.11340	8.7
289.87097	2.8
323.13452	40.0
324.13873	4.0
330.52066	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	323.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94054	0.5
55.01775	0.9
57.03316	0.8
58.00467	2.7
59.01252	100.0
60.01601	1.0
71.01255	33.2
71.56863	0.8
71.57249	1.2
72.01586	0.7
72.99171	3.2
73.02795	1.4
78.95778	19.0
79.00675	0.6
83.01257	0.9
84.11186	0.6
85.02837	6.9
87.00761	1.8
89.02318	39.2
90.02660	0.6
91.91127	0.6
95.01260	3.4
96.96836	9.0
97.89551	0.6
101.02324	24.1
102.02681	0.6
111.01865	3.1
112.53077	0.6
113.02334	14.0
113.03066	1.1
119.03393	20.4
119.04252	1.2
125.02351	1.0
131.03331	1.3
138.97919	0.9
143.03403	2.2
143.07037	2.3
149.04497	1.6
150.97906	0.9
161.04440	1.9
179.05547	3.1
188.48355	0.7
211.00079	2.8
280.02277	1.2
323.03079	5.5
323.13467	57.7
324.13828	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	323.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02428	3.2
57.03331	14.3
59.01254	16.3
64.28806	2.7
71.01257	100.0
71.57770	3.4
72.99185	3.3
73.02135	2.5
73.02816	3.8
75.82493	2.8
78.95788	9.0
83.01260	4.0
85.02826	90.0
85.06421	2.9
87.00743	75.5
95.01267	7.8
96.96869	4.1
99.00765	3.7
101.02328	6.2
103.00569	4.6
113.02333	88.3
115.00249	3.7
119.00079	10.0
129.01790	3.0
130.89612	3.1
131.03351	3.5
143.00113	6.3
144.95418	4.5
147.43460	3.2
149.04448	3.7
157.01273	4.0
166.99565	3.2
173.01126	3.3
175.02429	4.8
190.98648	6.1
191.02165	7.6
191.25980	3.3
227.02501	3.2
246.26735	3.3
257.03448	4.1
263.00912	4.1
305.02054	3.9
305.05566	9.6
323.09988	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	15.8
69.03340	6.8
69.44022	10.2
69.44448	9.1
71.01254	15.7
72.99169	5.9
73.02898	1.7
75.00760	2.2
83.01279	4.5
85.02825	4.2
87.00768	3.5
93.03346	33.2
94.03606	2.1
95.01270	2.8
97.02867	2.2
99.00764	74.2
108.02096	4.6
109.02827	3.3
111.00761	5.7
113.02367	4.4
117.03347	19.1
119.04911	29.8
121.02874	3.0
123.04463	3.8
125.02370	3.9
130.04135	7.2
131.04947	14.1
132.02954	3.9
132.05692	7.8
133.02846	16.1
133.06487	15.8
134.03612	2.7
135.04390	9.5
137.02304	6.1
143.04948	13.8
145.02884	17.8
145.06523	34.5
145.07643	5.5
146.03735	2.5
147.04422	100.0
148.04791	5.8
149.05978	11.6
156.05736	2.3
157.06490	12.0
158.03685	2.7
159.03004	5.0
159.04388	8.9
160.05211	12.2
160.60646	2.6
161.02332	4.5
161.04811	2.7
161.06012	18.5
163.03917	5.2
163.07581	8.0
165.05515	3.0
169.06529	20.6
171.04385	4.9
172.05197	3.0
173.06009	24.2
175.03935	28.8
175.07518	11.4
177.01982	2.2
177.05496	17.5
187.07588	66.6
188.07947	4.1
189.05496	53.3
190.05786	2.7
191.07100	14.1
193.05013	4.7
201.05502	34.7
202.05972	3.9
203.03455	25.3
205.05005	32.3
217.04994	3.7
217.08661	2.8
219.06572	45.7
221.04533	35.3
231.06543	6.7
235.06136	8.6
243.06703	4.5
245.04597	4.2
261.07703	5.7
263.05597	52.6
264.05789	3.5
279.08884	5.5
305.06418	4.8
323.07761	47.1
324.07800	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	323.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01210	1.4
55.01765	2.1
57.03327	6.0
59.01244	3.6
65.00191	6.3
65.03835	2.1
67.01752	2.8
68.60171	1.2
69.03327	6.2
69.53226	11.3
71.01260	5.4
72.46607	1.4
72.99204	2.1
77.51056	1.4
81.03333	5.6
82.29243	1.3
83.01261	14.4
85.02843	4.3
87.00748	5.0
88.42001	1.3
90.21691	1.4
93.03340	3.1
95.01285	4.0
97.02836	10.6
99.00736	9.9
101.02332	2.1
101.13800	1.4
101.92505	1.5
105.03323	2.0
107.01292	5.7
107.04881	1.9
109.02812	8.4
111.00764	16.0
113.02356	3.0
117.03291	1.6
119.04924	2.3
121.02840	5.3
123.00796	6.5
123.04389	10.8
124.01585	3.2
125.02338	100.0
126.02687	3.2
127.00251	3.8
127.03855	1.5
127.57590	1.6
129.01802	3.2
133.02861	1.6
135.04407	2.0
137.02336	6.7
139.00288	13.1
139.03903	3.7
141.01819	16.2
147.04413	4.7
151.00293	19.0
151.03899	6.5
152.01041	5.1
153.01845	12.6
154.75525	1.5
154.99808	2.3
157.01335	1.8
159.04378	1.8
161.02383	2.1
161.07211	1.7
163.00275	1.4
163.03911	2.5
164.01076	1.8
165.01880	8.1
165.05527	2.8
166.99762	4.6
167.03398	20.1
168.00464	1.9
168.03714	1.7
169.00134	1.3
169.01334	8.7
175.00291	3.1
175.03944	2.2
177.01875	8.5
178.99767	17.2
179.03435	4.0
181.01396	8.9
185.00742	2.1
187.03984	2.6
189.05447	2.4
191.03372	7.3
193.01360	6.9
194.99313	3.1
195.02982	22.6
197.00850	33.0
197.02512	3.0
203.03410	3.4
205.01442	2.5
205.05028	3.8
207.02960	4.7
211.02391	2.5
215.03465	4.4
216.92796	1.6
217.04980	4.1
219.02968	4.4
223.02454	4.2
231.02942	6.5
233.04520	7.9
235.02470	7.3
237.03935	2.2
243.02986	4.5
251.05597	5.3
259.02322	1.9
261.03976	14.9
277.03601	2.3
279.05258	3.2
287.02051	3.3
305.02957	11.2
323.04022	12.0
323.11975	1.8
324.04385	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94369	1.1
53.09344	1.1
55.01750	2.2
57.03320	6.6
57.74036	1.2
59.01246	3.1
61.15501	1.1
63.02252	2.5
65.00195	3.9
65.02135	1.3
67.01743	1.2
68.99659	1.6
69.03310	5.9
71.01258	3.6
71.57787	1.2
72.99158	2.0
81.03338	5.8
83.01263	13.1
85.02825	4.0
87.00761	6.2
93.03317	4.0
95.01263	3.2
95.04887	2.1
97.02840	6.5
99.00735	7.6
99.74421	1.3
107.01260	6.8
107.04893	2.7
109.02840	8.8
110.06729	1.4
111.00760	14.1
113.02328	1.9
119.04889	2.4
121.02843	2.1
122.93330	1.3
123.00764	4.9
123.04388	8.7
124.01531	1.9
125.02335	100.0
126.02653	4.0
127.00248	5.6
129.01820	3.0
131.04893	1.4
133.02846	3.1
135.04366	2.2
137.02412	6.7
139.00275	12.9
139.03876	3.4
141.01848	20.0
147.04407	4.3
149.02361	1.7
149.05969	2.1
151.00273	14.4
151.03905	6.0
152.01048	4.3
153.01839	12.5
154.99759	2.0
157.01289	2.2
159.04358	1.9
161.02335	2.1
161.05951	2.3
163.00246	1.7
163.03856	2.2
164.01077	1.5
165.01797	7.1
165.05463	2.0
166.99763	4.9
167.03401	17.9
168.00391	1.9
169.01344	9.0
175.00223	1.8
175.03928	4.0
177.01888	7.8
178.99779	18.9
179.03377	3.3
180.00197	1.5
181.01367	10.8
183.02795	1.6
185.02522	1.1
187.03917	2.7
187.91795	1.3
189.01721	1.8
189.05467	3.6
191.03455	6.3
193.01355	8.0
194.01784	1.6
194.99297	3.9
195.02963	20.7
197.00838	35.9
203.03398	2.2
205.01332	2.8
205.04965	2.8
207.02902	5.3
215.03482	2.8
217.04933	5.1
218.02138	1.4
219.02916	5.5
221.04451	1.7
223.02200	1.8
223.05974	1.9
231.02960	7.0
233.04573	9.4
235.02350	5.9
237.04025	2.7
243.02946	4.2
251.05516	4.0
259.02365	3.2
261.04010	16.3
262.04355	1.8
277.03442	2.7
279.05023	4.1
287.01901	3.7
305.03101	10.3
314.21869	1.2
323.04135	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	322.2024
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
57.03330	0.9
58.02845	3.1
59.01246	1.5
71.13131	1.3
71.13470	1.2
72.00768	2.0
72.04410	3.2
75.76064	0.7
83.04898	2.3
84.04416	2.6
89.04153	0.7
95.04899	1.3
95.56707	0.6
98.05999	4.9
107.04916	0.7
109.02848	0.8
111.04388	2.0
112.03932	1.9
120.81725	0.7
121.02837	1.0
125.02317	1.6
126.05511	5.3
126.09119	1.5
127.07506	1.7
128.07074	25.4
149.13329	0.8
154.05006	6.7
165.12744	2.4
167.14362	1.3
169.01308	1.2
170.01663	1.5
170.08078	3.3
171.10231	1.0
175.11243	1.6
192.13850	1.0
193.12277	9.7
210.14975	0.8
217.15929	1.1
232.17143	3.2
250.18152	5.7
254.50822	1.0
260.16541	1.0
260.20016	0.8
266.13995	1.2
278.17648	11.0
278.20731	1.0
279.17844	1.0
304.16226	0.5
304.19208	12.9
320.18707	0.9
322.20233	100.0
323.02158	1.5
323.20709	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	322.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00476	1.3
59.01253	21.6
60.61432	0.8
62.86517	0.9
65.28401	0.7
68.13380	0.8
71.01254	6.2
72.99172	2.3
82.02853	4.6
85.02837	1.1
87.32523	1.0
89.02328	4.4
96.59253	0.8
101.02338	3.8
119.74697	1.2
145.07623	100.0
146.07939	2.7
149.70819	0.9
164.74132	0.9
168.41678	0.9
188.08229	85.2
189.08531	3.2
210.10339	2.5
214.09802	32.1
215.10078	1.1
228.11409	2.4
238.09991	1.3
256.10904	20.4
257.11136	1.3
268.10767	1.4
268.63083	1.0
279.13397	1.2
304.13062	3.9
306.46765	0.9
322.14038	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	322.2025
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
58.02853	2.2
59.01260	1.9
61.71104	0.3
71.01267	0.7
71.08182	0.8
79.48914	0.3
81.03336	0.6
83.04906	0.5
83.88026	0.4
95.04905	0.8
97.06449	0.7
98.20507	0.3
98.98197	0.3
109.06472	1.1
117.38904	0.4
121.02885	0.4
128.10709	6.8
130.08632	100.0
131.08995	2.9
142.54131	0.3
165.12801	0.8
165.87451	0.3
172.00806	0.4
223.20276	0.4
322.20236	24.1
323.20691	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	321.2072
Annotation	Rapanone
Peak:m/z	Relative Intensity
53.52371	0.7
56.31712	0.6
59.01252	100.0
59.62849	0.6
60.01588	0.6
67.16923	0.7
67.17866	0.6
71.11033	0.6
90.87788	0.7
98.19679	1.5
103.03891	1.3
104.31719	0.6
107.64705	0.6
132.62042	0.6
150.43941	0.7
182.80687	0.6
228.33418	0.7
230.27092	0.8
269.77103	0.7
277.18109	1.1
321.20697	49.5
322.21088	4.7
325.12067	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2435
Annotation	15-OxoEDE
Peak:m/z	Relative Intensity
57.03331	2.4
59.01252	2.9
61.18434	1.1
68.21209	1.0
70.00885	5.2
70.01248	1.9
78.95789	2.5
80.96393	1.4
84.41592	1.1
86.02341	2.2
96.95912	1.4
113.09619	9.5
125.02325	4.2
154.07303	1.4
169.01315	7.4
192.15353	1.1
195.13821	3.6
197.83536	1.2
199.13362	1.5
205.16022	1.2
207.13843	3.6
223.16936	5.4
263.20233	3.9
303.23343	5.8
320.26077	1.7
321.24341	100.0
322.24271	9.0
322.27597	5.4
331.10641	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67757	1.0
55.01758	3.6
57.03329	19.4
59.01257	20.4
64.60715	1.0
70.42229	2.2
70.42628	2.0
71.01254	17.6
72.99200	2.6
73.02833	2.1
83.01259	11.3
84.02056	2.1
85.02828	100.0
86.03158	1.2
87.00787	1.7
89.02314	9.6
93.03315	1.4
96.95893	1.0
99.00788	1.0
101.02325	9.5
111.00773	28.3
113.02346	4.3
115.07538	14.8
119.03402	4.0
125.02341	1.1
129.01840	35.1
130.02153	1.9
141.05478	1.8
141.09106	2.5
151.07561	1.1
152.03435	1.3
159.02869	1.1
159.10211	1.3
161.04478	3.0
175.33310	0.9
183.10251	0.9
205.03491	21.8
223.04559	5.0
230.95850	1.0
277.14508	1.5
321.12128	1.3
321.15591	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	321.1707
Annotation	alpha-Zearalanol
Peak:m/z	Relative Intensity
51.19730	1.5
53.60321	1.7
55.32097	1.7
56.65006	1.6
57.03323	8.0
59.01251	5.3
67.25407	1.9
67.99025	1.7
69.03330	3.5
69.26649	1.6
71.01260	2.4
71.04903	11.0
73.02819	4.0
81.03325	9.9
83.04903	6.5
90.25879	1.8
93.03342	11.9
95.04906	68.5
96.95941	2.4
97.06483	10.9
98.20728	1.9
107.04927	10.4
108.02097	3.3
109.02846	1.8
109.06483	17.9
111.04410	12.3
111.08079	2.6
121.02853	9.2
121.06480	5.5
121.17731	1.5
122.03634	3.1
123.04419	4.6
123.08038	10.2
125.09621	61.7
135.04408	14.0
136.05208	2.5
137.05997	3.4
139.11206	2.1
149.05966	13.2
151.07562	100.0
152.07907	3.0
167.07063	10.8
167.10710	2.7
171.10178	24.6
178.06258	4.6
185.11754	22.0
193.12325	2.0
205.12260	3.3
219.13791	2.0
223.13280	8.2
229.26375	1.7
237.11412	4.5
237.14923	3.2
239.12860	2.0
247.13351	7.8
249.11246	3.9
265.14444	37.0
272.75626	1.9
279.16080	2.8
289.18127	4.0
293.17569	3.3
303.15948	16.1
321.07904	1.9
321.17145	44.0
321.20709	6.2
322.17419	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	321.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21906	3.1
55.41378	3.0
57.03307	5.0
59.01254	6.5
59.09169	3.2
69.03313	8.4
69.43446	29.3
71.01261	12.1
73.02822	8.0
82.58912	3.1
85.02816	32.9
87.00751	100.0
95.01276	4.5
97.02826	22.2
103.03880	5.4
111.99461	3.6
113.02348	4.4
115.00254	8.6
143.09308	3.1
157.01331	6.7
175.02394	31.3
211.34084	3.5
211.57224	3.5
217.03500	14.2
222.34399	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	321.0831
Annotation	2-O-L-ramnopyranosyl-4-Deoxy-alpha-L-threo-hex-4-enopyranosiduronoic acid
Peak:m/z	Relative Intensity
55.01762	2.9
57.03318	6.6
58.16861	2.0
59.01257	15.9
61.00897	4.2
64.35621	1.9
68.99683	5.5
69.03334	12.5
69.72817	7.2
69.73239	6.4
71.01252	34.7
72.99167	7.2
73.02813	16.4
83.01274	4.3
85.02824	43.2
87.00751	100.0
89.02328	9.7
95.01254	11.9
96.99187	2.9
97.02833	22.7
99.00748	7.5
101.02341	9.6
103.03898	7.1
111.00774	11.2
113.02347	13.0
115.00249	10.4
115.01923	2.5
115.03886	2.0
117.00361	10.9
117.84142	1.8
123.00799	9.3
126.98735	2.0
127.00222	3.7
129.00314	2.7
129.01866	5.1
129.03461	1.9
141.00365	6.0
141.01860	17.4
142.99747	2.9
143.01907	3.3
149.04460	7.7
150.90479	1.9
157.01326	5.8
157.03032	3.7
157.74228	2.4
168.99748	3.1
171.01370	4.0
175.02390	29.3
175.04091	6.7
183.01350	2.5
189.02534	11.8
191.03595	3.5
196.67410	2.1
213.02388	2.3
217.03526	13.5
225.02397	4.0
255.03590	5.8
273.04642	3.4
273.35406	2.5
303.05792	6.3
312.96487	2.4
321.06873	7.7
322.08063	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	321.119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	4.5
57.03326	20.7
59.01253	13.9
67.01762	1.4
71.01259	15.2
71.60178	1.2
72.99193	4.7
73.02825	4.0
75.00743	2.4
83.01269	12.6
84.02045	2.5
85.02827	100.0
87.00768	1.6
89.02295	1.1
95.01258	0.9
99.00758	1.8
101.02326	11.2
102.10247	0.8
111.00768	29.8
113.02355	3.3
115.07538	17.0
123.04369	1.2
124.03907	1.7
125.60970	0.8
129.00876	1.7
129.01840	35.5
136.07555	4.5
138.05556	1.8
158.06050	0.8
159.02861	1.2
161.04448	4.1
184.05968	1.5
187.02390	1.9
205.03458	18.8
216.06644	1.2
223.04520	6.1
246.07719	1.2
259.14365	0.8
261.08716	1.3
279.09897	1.4
321.11835	2.0
321.19110	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	2.4
64.67945	0.7
65.00190	1.4
67.01740	1.6
69.03337	3.8
71.01247	1.3
71.12887	1.7
81.03340	3.2
82.14774	0.6
83.01264	2.7
85.02832	7.0
93.03335	2.5
95.01273	2.8
95.04863	1.9
97.02837	5.0
99.00737	3.8
108.02097	0.7
109.02839	16.2
111.00751	10.8
111.04384	1.6
113.02349	1.4
119.04871	0.7
121.02852	4.0
122.03605	1.2
123.00800	4.2
123.04416	4.3
124.01527	2.6
125.02336	82.9
126.02666	3.0
127.00272	1.9
127.03922	1.4
133.02884	1.1
135.04405	1.2
137.02344	12.2
139.00290	10.2
139.03893	2.6
141.01836	7.6
144.52951	0.7
145.02869	1.1
147.04434	2.2
149.02347	9.8
150.03081	1.4
151.00301	0.8
151.03902	2.4
152.01028	0.9
153.00647	1.2
153.01852	16.6
154.99757	7.4
159.04416	1.3
161.02374	3.8
163.03906	2.2
164.00937	0.9
165.01881	3.3
165.05403	0.9
167.03452	4.0
169.01335	100.0
170.00328	0.8
170.01671	2.7
171.04465	1.0
173.05998	1.0
174.03139	1.4
175.03911	4.5
177.01822	6.2
177.05476	1.0
179.03401	1.9
181.01297	1.5
181.04961	2.9
183.02904	1.5
189.01868	0.9
189.05490	1.4
191.03448	1.6
191.07011	0.9
193.01404	1.0
195.02907	1.0
199.03955	2.0
203.03508	1.6
203.06958	0.7
205.05116	1.4
213.05463	1.3
215.03453	1.0
216.04303	1.2
217.05025	4.3
231.06657	0.9
233.04611	1.5
235.06061	1.0
241.04947	1.7
257.04581	1.4
259.06039	2.8
260.06607	1.0
262.97733	0.9
285.04016	2.7
303.05225	3.5
321.02539	1.4
321.06100	12.6
341.31204	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0249
Annotation	Digallate
Peak:m/z	Relative Intensity
50.29475	0.2
56.05454	0.2
58.43811	0.2
59.01248	0.4
67.01771	0.5
69.03329	3.0
71.01295	0.2
72.99182	0.2
75.38631	0.2
76.70692	0.2
79.01764	0.2
79.58789	0.2
81.03325	1.2
83.01239	0.3
85.02853	0.2
87.00748	0.2
89.04456	0.2
95.01254	0.6
97.02837	2.6
98.19801	0.3
107.01271	0.3
115.00245	0.2
117.79544	0.2
119.01660	0.2
122.56250	0.2
123.00729	0.3
124.01567	0.7
125.02339	89.1
126.02679	2.7
169.01341	100.0
170.01675	3.1
175.02412	0.2
177.01967	0.2
212.05748	0.2
216.67007	0.2
229.14812	0.2
302.46661	0.2
321.02521	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0252
Annotation	Digallate
Peak:m/z	Relative Intensity
54.71091	0.3
56.47883	0.3
57.03333	0.4
59.01254	1.9
69.03320	2.1
71.01265	0.8
71.56998	0.4
79.01762	0.5
81.03342	0.7
83.01263	0.6
85.02831	0.5
89.02332	0.4
93.14674	0.3
95.01295	0.6
97.02847	1.4
101.02316	0.4
124.01596	0.4
125.02341	63.3
126.02673	2.1
159.10208	0.5
169.01341	100.0
170.01686	3.6
193.01379	0.9
194.01714	0.6
195.01836	1.1
204.26917	0.3
321.02573	0.8
321.15445	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2277
Annotation	19S-HETE
Peak:m/z	Relative Intensity
52.10944	0.4
53.25382	0.4
53.52719	0.4
57.03328	0.5
59.01248	1.1
60.61334	0.4
71.57555	0.6
74.68232	0.4
89.02403	0.5
111.00611	0.4
121.02811	0.4
123.00751	0.5
125.02382	1.9
137.02292	0.6
151.00218	0.5
175.00342	0.8
178.29765	0.4
178.99767	0.5
191.03464	0.9
193.01326	4.3
209.46539	0.4
218.79033	0.4
225.53087	0.4
319.22775	100.0
320.23135	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	321.0251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09668	0.4
64.95612	0.4
69.03327	1.9
71.00846	0.9
79.01759	0.4
81.03317	1.0
93.39631	0.4
97.02812	1.2
124.01592	0.8
125.02335	53.2
126.02679	1.3
163.57239	0.4
169.01340	100.0
170.01715	2.9
321.02640	0.8
333.61627	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.025
Annotation	Digallate
Peak:m/z	Relative Intensity
53.50903	0.3
65.92344	0.3
69.03313	2.0
69.44058	1.9
69.44479	1.2
81.03327	0.8
83.01276	0.4
88.76763	0.3
95.01251	0.3
97.02812	1.8
99.26373	0.3
111.00733	0.4
119.64884	0.3
123.00728	0.4
124.01553	0.6
125.02334	68.9
126.02665	1.4
132.55504	0.3
139.00220	0.6
169.01331	100.0
170.01674	3.2
177.01862	1.2
321.06003	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	3.8
57.03327	3.1
58.00476	4.3
59.01254	100.0
61.14036	2.7
61.59383	3.1
61.95136	2.5
64.99049	2.6
67.01766	2.8
69.03316	3.6
71.01259	79.7
71.18738	6.2
71.19086	3.2
72.99187	7.2
73.02824	14.5
75.00755	3.4
77.51317	2.7
83.01256	10.8
85.02826	33.4
85.03925	4.4
87.00743	6.7
87.04408	4.4
89.02317	45.4
89.68947	2.9
91.33981	2.7
93.03339	10.1
95.01246	8.1
99.00744	7.2
101.02322	56.9
108.04453	3.7
111.00806	4.1
113.02323	30.7
113.29425	3.2
117.03307	6.7
119.03401	21.6
119.04895	9.3
121.02836	8.3
123.00769	5.6
125.02296	4.6
128.03407	10.7
129.01848	4.4
131.03386	3.8
132.06581	8.6
137.02345	3.5
139.03961	3.2
139.07521	9.0
141.01717	3.4
143.48219	3.1
145.02870	21.8
155.03436	3.0
157.06093	8.1
157.08611	20.5
159.02791	3.2
161.04460	7.2
163.03854	4.3
167.03412	15.4
179.05597	3.5
208.90877	2.9
216.10226	8.7
221.60631	2.8
278.10373	14.2
319.04764	3.2
319.14017	74.3
320.09094	5.1
320.14410	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	319.1399
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
55.01759	3.8
57.03327	3.1
58.00476	4.3
59.01254	100.0
61.14036	2.7
61.59383	3.1
61.95136	2.5
64.99049	2.6
67.01766	2.8
69.03316	3.6
71.01259	79.7
71.18738	6.2
71.19086	3.2
72.99187	7.2
73.02824	14.5
75.00755	3.4
77.51317	2.7
83.01256	10.8
85.02826	33.4
85.03925	4.4
87.00743	6.7
87.04408	4.4
89.02317	45.4
89.68947	2.9
91.33981	2.7
93.03339	10.1
95.01246	8.1
99.00744	7.2
101.02322	56.9
108.04453	3.7
111.00806	4.1
113.02323	30.7
113.29425	3.2
117.03307	6.7
119.03401	21.6
119.04895	9.3
121.02836	8.3
123.00769	5.6
125.02296	4.6
128.03407	10.7
129.01848	4.4
131.03386	3.8
132.06581	8.6
137.02345	3.5
139.03961	3.2
139.07521	9.0
141.01717	3.4
143.48219	3.1
145.02870	21.8
155.03436	3.0
157.06093	8.1
157.08611	20.5
159.02791	3.2
161.04460	7.2
163.03854	4.3
167.03412	15.4
179.05597	3.5
208.90877	2.9
216.10226	8.7
221.60631	2.8
278.10373	14.2
319.04764	3.2
319.14017	74.3
320.09094	5.1
320.14410	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	319.046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	21.7
59.01241	0.9
61.92880	0.9
63.02266	2.5
65.00192	4.6
65.03806	0.9
69.62794	2.9
69.63226	4.0
81.03339	2.1
83.01257	8.8
88.79317	0.9
93.03347	3.1
95.01279	2.2
107.01272	7.0
109.02827	7.2
119.01310	1.4
119.04934	1.4
121.02831	4.9
123.00790	3.2
124.01575	5.9
125.02343	59.7
126.02695	1.7
135.04456	1.6
137.02339	13.2
139.03902	5.7
145.02882	1.1
147.00787	9.0
149.02393	0.8
151.00285	12.7
152.01057	2.5
153.01860	6.8
155.03453	2.2
159.04425	1.1
163.03931	1.2
165.01862	13.4
166.02660	2.7
167.03416	6.1
168.63812	1.0
169.01329	1.0
175.00302	26.8
176.00999	3.3
177.01804	0.8
177.05397	1.1
178.99799	10.7
181.01424	1.4
181.04865	1.1
185.02338	1.8
186.03088	1.2
187.03996	3.1
190.02676	1.9
191.03439	16.3
193.01361	100.0
194.01724	3.3
205.05092	1.6
213.05405	1.0
215.03447	8.1
229.05098	1.7
233.04500	2.0
239.03540	1.6
257.04544	7.8
283.02582	1.3
301.03583	8.1
324.57642	1.0
340.38541	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18233	0.6
50.63499	0.6
55.66769	0.8
57.03326	15.2
58.00436	0.7
59.01252	12.6
63.02273	1.3
65.00187	3.3
67.24397	0.7
68.99688	3.4
69.42463	6.7
71.01254	7.8
73.02810	1.0
81.03326	2.5
83.01262	7.3
85.02826	2.8
85.03943	1.1
89.02330	5.9
93.03322	2.3
95.01292	3.5
97.02815	1.0
98.19868	1.6
99.00737	1.8
101.02325	5.1
107.01271	3.0
107.04897	0.7
109.02834	9.0
111.00757	2.5
113.02348	3.4
114.54334	0.7
119.03385	2.7
119.04928	1.4
121.02831	3.2
123.00780	4.0
123.04427	1.0
124.01542	2.8
125.02344	62.1
126.02683	1.6
127.00249	1.5
128.03432	1.9
132.06519	1.2
135.04373	1.0
137.02338	13.7
139.00267	3.8
139.03912	5.2
139.07544	3.0
141.01836	1.5
145.02838	4.4
147.00803	6.2
149.02325	3.0
151.00279	12.7
151.03989	1.1
152.01039	2.6
152.93764	0.7
153.01851	11.8
155.03383	1.5
157.06287	1.4
159.04453	2.4
161.02368	1.4
163.00275	1.0
163.03882	3.3
165.01852	12.7
166.02539	2.5
167.03424	10.6
169.01372	1.5
173.02309	0.9
175.00305	27.5
175.03853	1.0
176.01041	1.0
177.01839	2.0
178.99789	13.5
180.00253	1.2
181.01369	2.2
185.02324	1.1
187.03978	3.8
189.01862	0.9
189.05447	0.7
190.02579	1.9
191.03441	17.8
192.03827	0.8
193.01364	100.0
194.01764	3.9
201.05589	1.3
205.05052	2.3
209.04466	1.0
213.05605	1.4
215.03474	10.5
229.04985	2.0
233.04518	4.2
239.03488	1.3
257.04547	9.6
258.04813	0.7
273.04004	0.9
275.05664	1.8
278.10284	1.0
283.02509	1.1
292.52463	0.8
301.03571	10.0
319.04849	3.5
319.08090	0.8
319.14023	13.0
320.09149	1.8
320.14307	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0461
Annotation	Hovenitin III
Peak:m/z	Relative Intensity
59.01245	46.7
71.01252	41.7
71.58832	9.4
73.02820	15.7
85.02826	10.4
89.02318	13.5
95.01207	13.5
97.02818	12.8
99.00751	24.8
101.02293	16.8
108.04407	10.4
109.02825	22.7
111.00784	20.4
117.03338	11.5
121.02843	18.8
123.00753	41.4
125.02332	100.0
127.00248	17.5
135.13361	10.8
137.02325	46.5
139.00227	18.8
139.03899	15.4
141.01849	97.0
144.04399	12.0
145.02873	13.0
149.02339	18.9
151.00346	16.7
151.21590	10.9
153.01839	70.6
161.02376	15.1
165.01825	26.2
167.03381	32.4
173.02318	19.9
175.04034	16.8
177.01828	92.2
179.03258	13.7
181.01422	11.7
182.02095	21.9
187.03899	12.4
189.01768	16.2
191.03432	71.3
193.01295	59.0
217.01350	70.4
218.01932	12.1
221.04422	11.6
233.04507	31.8
238.12122	10.7
250.29720	11.9
257.04565	15.7
273.04248	10.9
275.05896	16.7
292.96140	10.7
297.76035	12.2
301.03442	14.8
319.04532	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	15.6
63.02270	2.4
65.00191	2.7
69.62840	1.2
70.24652	5.5
81.03354	1.5
83.01260	5.5
93.03351	2.0
107.01283	4.0
109.02850	5.5
111.04463	1.2
118.41718	1.1
121.02832	1.3
123.00786	4.4
124.01581	4.4
125.02345	57.7
126.02680	2.6
137.02353	12.6
139.03925	4.7
143.04962	1.4
147.00775	7.9
151.00266	13.8
152.01003	1.8
153.01869	7.1
159.04398	1.9
165.01833	11.8
166.02608	2.3
167.03406	8.8
175.00304	23.3
176.00758	2.0
178.22974	1.2
178.99791	12.0
179.36017	1.3
181.01363	2.4
190.02689	2.6
191.03435	14.8
193.01372	100.0
194.01692	4.7
215.03432	7.8
233.04532	2.8
257.04535	5.5
258.51236	1.2
301.03589	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90580	0.5
59.01253	0.9
65.03832	7.1
67.01765	5.5
68.81120	0.5
71.01287	0.7
71.59940	0.9
91.01781	0.9
93.03333	5.6
95.01258	0.7
109.02841	18.1
123.00832	0.8
135.00751	1.6
137.02348	100.0
138.02666	2.6
149.02321	0.7
153.01848	1.5
163.00291	2.1
171.04410	0.9
179.51416	0.5
187.03889	0.9
199.03972	1.1
215.03471	2.1
226.02580	0.9
227.03441	1.9
230.05833	2.9
243.03087	1.2
258.05341	1.0
275.18585	0.7
317.06430	1.1
317.10291	0.9
317.14075	0.9
317.19806	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	317.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	16.3
58.00944	0.3
70.12957	1.3
81.03333	1.5
83.01262	2.7
95.01261	0.3
109.02818	0.9
123.00762	0.7
124.01553	0.7
125.02342	100.0
126.02690	2.4
135.00822	0.4
137.02373	1.0
138.03192	0.3
139.00227	0.8
148.01572	0.5
149.02315	0.4
150.03108	0.4
151.00314	0.5
153.01842	0.4
154.99759	0.9
159.04420	0.3
161.45282	0.3
163.00301	0.7
164.01094	0.4
164.04709	0.7
165.01831	1.0
176.01068	2.8
177.01857	1.2
191.03400	2.9
192.04167	2.3
207.06580	1.2
216.04106	0.3
234.43201	0.3
245.15561	0.4
258.05176	0.3
273.14981	0.4
287.05478	1.2
292.78339	0.3
302.07874	0.4
317.06668	5.3
317.10144	1.5
318.07101	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2121
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
53.33626	0.5
54.41474	0.4
58.31315	0.5
59.01249	0.7
71.57594	0.7
71.57957	0.5
95.01239	0.4
96.95882	0.5
103.01684	0.4
107.01187	0.6
109.02847	1.5
125.02309	1.2
130.08902	0.4
131.80258	0.4
137.02335	1.4
139.00258	0.4
151.00349	2.0
153.01794	0.5
153.42403	0.5
158.16017	0.4
165.01813	1.2
169.01280	0.8
173.99229	0.4
178.99744	1.4
236.29919	0.4
239.09215	0.5
241.03455	0.8
287.04971	0.5
317.03000	2.4
317.21201	100.0
318.03476	0.6
318.21518	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	317.0301
Annotation	Myricetin
Peak:m/z	Relative Intensity
52.70014	0.4
63.02267	9.6
63.52119	0.4
64.02552	0.4
65.00193	14.9
66.00510	0.5
69.60857	2.5
71.79155	0.5
81.03345	1.6
83.01254	9.5
95.01248	0.6
107.00523	1.0
107.01270	23.9
109.02835	28.3
110.03169	0.5
119.01318	0.5
121.02833	0.5
123.00784	1.0
124.01539	0.8
125.02337	4.1
135.00737	0.7
137.02341	53.4
138.02646	1.4
147.00758	0.5
149.02289	0.6
151.00275	73.1
152.00565	2.4
155.03438	1.3
156.13095	0.4
163.00307	1.9
164.01035	1.5
165.01836	4.8
166.02187	0.5
169.01343	8.2
170.56218	0.4
178.99782	41.3
180.00136	1.8
190.99745	0.8
192.00603	3.3
193.01341	2.0
199.03961	0.7
203.03429	1.0
227.03490	1.8
231.03015	1.0
242.02330	0.5
243.03091	0.9
245.04561	0.8
255.02975	0.7
261.04065	0.6
263.53970	0.4
271.02429	4.5
272.02585	0.8
273.35687	0.5
289.03531	1.0
299.01941	1.6
317.03003	100.0
318.03391	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0299
Annotation	3,5,8,3',4',5'-Hexahydroxyflavone
Peak:m/z	Relative Intensity
57.03311	4.9
59.01241	3.0
60.60274	2.0
63.02254	7.8
65.00193	14.2
67.01741	2.5
69.92130	5.3
69.92542	7.2
81.03287	2.3
83.01270	14.6
93.03349	2.3
95.01244	10.9
107.01268	26.7
108.02085	3.8
109.02831	95.8
110.03127	3.8
111.00726	7.6
121.02805	2.1
123.00755	8.7
124.01534	8.3
125.02332	28.8
133.02832	6.2
135.00787	12.5
137.02327	22.9
139.00247	8.8
139.03883	4.1
147.00728	2.9
149.02310	8.2
150.99130	3.8
151.00285	64.2
151.03828	2.0
152.01089	14.5
153.01839	24.8
159.04414	3.7
161.02347	4.5
163.00275	56.9
163.03836	2.5
164.00964	4.7
165.01740	4.5
166.99791	5.8
169.01302	9.3
169.26454	2.5
171.04399	3.8
175.03876	7.7
175.68317	2.5
178.99771	48.0
181.01294	3.4
183.04433	4.4
187.03911	6.3
189.01810	4.0
189.05338	3.3
190.99771	28.7
193.01347	4.7
197.02216	3.0
199.03894	8.0
202.02696	2.5
203.03406	8.1
206.99284	25.2
207.02971	3.0
208.00003	9.4
211.03966	6.4
213.01881	3.9
215.03426	7.2
217.04900	3.8
227.03459	19.7
231.02896	8.1
243.02986	7.1
245.04427	6.9
255.02994	18.1
271.02414	24.3
273.04056	11.8
289.03589	6.2
299.01956	27.5
300.02164	3.5
302.03253	5.1
317.02957	100.0
317.06570	5.6
318.03308	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03164	0.7
52.23418	0.6
58.12501	0.6
59.01252	1.7
62.52909	0.5
63.02265	7.3
65.00197	11.5
65.08231	0.6
68.33085	0.6
69.03335	0.7
69.59306	4.2
71.01243	1.1
73.02861	0.6
81.03329	1.7
83.01261	8.3
87.00776	0.8
91.01797	0.6
93.03331	2.6
98.19898	1.0
107.01277	19.6
108.01608	0.7
109.02843	20.8
119.01275	0.9
121.02892	1.1
123.00778	1.4
124.01563	1.7
125.02355	6.6
133.02827	1.6
135.04446	3.9
137.02347	40.2
138.02644	1.5
138.22188	0.6
149.02290	1.0
151.00281	48.9
151.78697	0.7
152.00714	1.4
154.99747	0.8
155.03407	2.0
159.04445	0.9
160.07458	0.7
161.02361	3.5
162.05479	2.0
163.00262	4.2
164.01079	1.4
165.01888	3.6
169.01343	9.1
175.03886	0.9
177.01848	0.7
178.64212	0.9
178.99783	36.8
179.03297	2.0
180.00217	1.4
189.05592	0.8
190.99783	1.6
191.03438	0.6
192.00586	2.6
193.01331	1.7
199.04031	1.5
201.01859	1.0
203.03522	1.1
211.07536	1.2
215.03291	1.5
227.03452	3.1
230.08168	1.4
232.54893	0.7
242.08560	0.8
243.02928	2.1
245.04399	1.2
255.02960	0.9
260.02783	0.8
261.04132	1.4
269.09265	2.3
271.02502	3.9
272.02902	2.4
273.03357	0.8
273.07675	1.4
288.02460	2.0
289.02908	2.2
299.01901	2.0
317.03000	100.0
318.03284	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	317.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.54826	2.2
61.29302	2.8
63.02261	6.1
65.00188	14.1
67.01757	3.0
68.99672	2.9
69.39022	9.3
69.39449	15.1
71.01293	2.6
79.01788	3.2
81.03317	2.8
83.01257	14.1
84.21581	2.3
91.01779	3.1
93.03329	23.9
95.01249	17.1
96.99158	2.3
97.02834	2.9
99.00753	22.8
101.05647	2.5
107.01273	25.7
109.02837	18.1
111.00774	29.8
111.82258	2.2
117.03365	14.6
119.04922	2.7
121.02814	9.2
123.00784	34.8
124.01518	4.9
124.98711	2.9
125.02351	24.2
127.00262	3.7
131.04919	3.6
135.00761	12.4
135.04433	2.8
136.98695	5.2
137.02361	34.2
139.00275	30.1
141.01833	10.5
141.09129	4.7
143.04889	6.1
145.02858	8.4
147.04469	3.6
149.02312	4.3
149.99496	5.0
151.00290	67.6
151.03876	3.0
152.00902	4.8
153.01833	14.0
155.04950	4.5
159.04439	9.3
161.02351	11.2
163.00232	14.9
164.01051	5.1
165.01845	7.0
165.98926	2.9
166.99776	31.1
168.00580	5.5
169.01375	12.1
171.04436	4.4
173.05948	5.3
174.03233	2.8
175.03885	5.3
177.99005	4.3
178.99771	64.4
180.00111	2.2
183.04457	3.0
185.05959	2.7
185.08125	3.2
187.03883	11.9
189.01895	7.3
189.05641	2.9
190.99808	7.2
191.03374	3.2
192.00581	6.6
192.25363	2.7
193.01353	16.0
194.99266	21.1
195.99739	2.8
199.03970	8.2
201.05516	12.8
203.03439	7.6
205.05061	4.8
206.99277	3.4
207.99915	2.7
215.03441	7.5
217.01485	2.4
217.05003	6.8
219.02966	5.9
222.98801	5.7
227.03439	9.4
228.03795	2.4
229.04994	9.3
231.02992	24.2
243.02937	11.5
245.04529	7.4
255.03038	5.6
271.02432	23.6
273.04037	8.5
289.03497	18.0
299.02002	20.5
299.10187	3.0
300.02319	2.8
300.83655	2.5
317.02994	100.0
317.19626	9.6
318.03378	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.254
Annotation	9,10-Dihydroxystearic acid
Peak:m/z	Relative Intensity
52.44210	0.4
59.01240	1.1
65.10026	0.4
70.01627	1.7
76.05035	0.4
109.25831	0.4
125.09608	1.1
127.11163	2.9
141.12767	4.6
143.10664	1.7
153.12680	0.5
155.10706	1.6
169.12343	0.5
171.10217	3.6
171.13853	0.9
173.44679	0.4
201.11308	1.5
204.78731	0.4
239.23691	0.8
269.24518	0.5
279.23315	2.8
295.22723	1.3
297.24377	6.6
300.03009	0.5
311.22021	0.6
313.23840	8.7
314.24033	0.6
315.25381	100.0
316.25729	8.8
326.65933	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03164	0.7
52.23418	0.6
58.12501	0.6
59.01252	1.7
62.52909	0.5
63.02265	7.3
65.00197	11.5
65.08231	0.6
68.33085	0.6
69.03335	0.7
69.59306	4.2
71.01243	1.1
73.02861	0.6
81.03329	1.7
83.01261	8.3
87.00776	0.8
91.01797	0.6
93.03331	2.6
98.19898	1.0
107.01277	19.6
108.01608	0.7
109.02843	20.8
119.01275	0.9
121.02892	1.1
123.00778	1.4
124.01563	1.7
125.02355	6.6
133.02827	1.6
135.04446	3.9
137.02347	40.2
138.02644	1.5
138.22188	0.6
149.02290	1.0
151.00281	48.9
151.78697	0.7
152.00714	1.4
154.99747	0.8
155.03407	2.0
159.04445	0.9
160.07458	0.7
161.02361	3.5
162.05479	2.0
163.00262	4.2
164.01079	1.4
165.01888	3.6
169.01343	9.1
175.03886	0.9
177.01848	0.7
178.64212	0.9
178.99783	36.8
179.03297	2.0
180.00217	1.4
189.05592	0.8
190.99783	1.6
191.03438	0.6
192.00586	2.6
193.01331	1.7
199.04031	1.5
201.01859	1.0
203.03522	1.1
211.07536	1.2
215.03291	1.5
227.03452	3.1
230.08168	1.4
232.54893	0.7
242.08560	0.8
243.02928	2.1
245.04399	1.2
255.02960	0.9
260.02783	0.8
261.04132	1.4
269.09265	2.3
271.02502	3.9
272.02902	2.4
273.03357	0.8
273.07675	1.4
288.02460	2.0
289.02908	2.2
299.01901	2.0
317.03000	100.0
318.03284	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	315.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58281	1.5
59.01233	3.0
69.03327	2.1
71.57533	2.1
71.57946	1.5
83.04878	1.9
85.02780	1.2
85.06470	6.6
108.02022	1.4
125.09652	6.6
127.11208	2.2
167.14302	2.0
171.10176	10.2
183.13803	7.6
193.12323	1.7
195.22064	1.3
209.11800	2.2
211.13338	39.8
212.13762	2.2
229.14421	22.9
230.14748	1.5
259.02603	1.2
279.19525	1.5
315.01572	1.5
315.08658	2.2
315.21780	100.0
316.22058	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	315.254
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61335	0.4
58.88914	0.4
59.01230	0.8
71.58554	0.7
72.97637	0.4
82.82745	0.4
86.33715	0.4
90.73827	0.4
95.04898	5.6
98.63922	0.4
108.02083	0.5
125.09615	1.2
127.11196	3.9
141.12775	5.4
143.10667	1.2
143.62520	0.4
152.01157	0.6
155.10706	1.2
157.12204	0.8
169.12190	0.5
171.10220	3.6
171.13820	1.7
201.11241	2.0
209.92644	0.4
246.12367	1.2
278.11337	4.8
279.23224	2.7
288.56442	0.4
295.22729	0.6
297.24341	9.7
298.24551	0.6
300.02878	0.5
313.23889	4.6
315.25397	100.0
316.25778	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	315.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	7.6
57.03326	6.5
58.00463	1.7
59.01250	37.9
67.40574	0.8
68.71769	0.7
68.99680	0.7
69.03309	1.0
70.35643	3.1
71.01250	100.0
72.01588	1.8
72.99173	2.5
73.02818	31.0
75.00741	1.8
83.01252	12.8
84.02050	1.3
85.02819	41.4
86.03168	1.1
87.00747	3.0
89.02318	13.8
91.09252	0.8
94.72127	0.8
95.01254	8.0
97.02838	1.7
99.00745	15.3
101.02319	53.6
102.02654	1.8
109.02927	0.8
111.38512	0.7
113.02324	37.8
114.02682	1.4
119.03400	3.0
125.02296	2.6
129.01820	1.3
143.03419	2.4
159.02888	6.7
161.04453	19.1
167.68843	0.9
219.13721	0.9
285.04037	1.6
300.06308	1.0
315.05338	0.9
315.08798	1.0
315.18274	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	6.1
57.03315	4.7
58.00464	3.0
59.01254	44.7
69.03307	1.5
69.65386	6.7
71.01257	100.0
72.01595	1.2
72.99170	3.5
73.02820	29.1
75.00740	3.0
77.38161	1.0
83.01266	12.0
85.02826	42.6
85.99978	1.0
86.03178	1.2
87.00748	3.2
87.85128	1.1
89.02330	22.2
95.01265	7.6
96.95832	1.1
97.02854	1.9
97.13678	1.0
99.00760	13.9
101.02327	55.6
102.02662	2.1
111.00694	1.0
112.02103	1.0
113.02338	36.0
119.03385	6.3
125.02348	2.8
127.22071	0.9
129.01842	2.0
135.00810	1.3
143.03375	2.8
153.01811	1.6
159.02901	6.0
161.04465	21.3
315.01382	1.4
315.05072	1.7
315.08679	4.0
315.12143	1.3
315.18137	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	315.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	6.1
57.03315	4.7
58.00464	3.0
59.01254	44.7
69.03307	1.5
69.65386	6.7
71.01257	100.0
72.01595	1.2
72.99170	3.5
73.02820	29.1
75.00740	3.0
77.38161	1.0
83.01266	12.0
85.02826	42.6
85.99978	1.0
86.03178	1.2
87.00748	3.2
87.85128	1.1
89.02330	22.2
95.01265	7.6
96.95832	1.1
97.02854	1.9
97.13678	1.0
99.00760	13.9
101.02327	55.6
102.02662	2.1
111.00694	1.0
112.02103	1.0
113.02338	36.0
119.03385	6.3
125.02348	2.8
127.22071	0.9
129.01842	2.0
135.00810	1.3
143.03375	2.8
153.01811	1.6
159.02901	6.0
161.04465	21.3
315.01382	1.4
315.05072	1.7
315.08679	4.0
315.12143	1.3
315.18137	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	315.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00355	0.9
65.28303	0.9
70.35108	0.9
71.45991	1.1
71.46359	2.1
72.25209	0.9
74.85355	0.9
81.03331	1.6
83.04894	3.4
83.89496	0.9
95.01239	1.5
108.01987	1.5
109.02831	1.9
121.02838	11.4
123.00765	5.8
123.01541	0.9
123.04381	1.3
124.01561	10.4
125.02338	31.2
125.03239	1.9
128.91560	1.0
135.04424	14.3
136.01579	1.5
137.02324	3.4
145.02837	1.6
146.03627	3.3
147.04404	1.5
148.01569	6.5
149.02351	26.1
149.06030	2.9
150.02843	1.1
161.02386	2.2
161.05991	1.9
163.03940	17.2
164.04726	16.6
185.05974	1.5
186.06796	1.0
187.07484	1.4
187.13409	1.1
197.06104	4.7
201.05428	0.9
209.06013	3.4
211.03868	2.1
213.05562	2.1
214.06306	6.3
224.04755	2.6
225.05441	5.4
226.06218	3.8
227.03471	2.9
227.06476	1.0
229.08667	4.6
238.06284	2.2
239.07143	1.3
241.05003	6.1
242.05760	5.4
252.04300	3.9
253.05025	16.2
254.05835	11.0
255.02968	8.1
255.05713	1.4
257.08182	1.4
267.06534	1.9
268.03986	1.0
268.07367	3.2
269.04767	4.1
269.08176	91.0
270.05368	51.6
270.08466	7.3
271.05652	3.0
283.09576	1.3
285.07675	100.0
286.07962	7.7
300.06479	1.3
300.10019	79.4
301.10403	6.8
315.12381	90.4
316.12668	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	315.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16600	0.2
55.01782	0.2
56.58207	0.2
59.01252	1.0
64.61469	0.2
67.01800	0.3
69.03309	0.3
71.01255	1.3
71.60227	0.4
73.02827	0.3
79.98970	0.3
81.03333	0.2
83.01276	0.3
85.02831	0.4
93.03345	1.0
95.01266	1.9
97.02835	0.3
101.02311	0.6
105.03365	0.2
108.02058	1.5
108.41780	0.2
109.02848	1.6
111.00764	0.3
113.02345	0.5
113.14606	0.3
117.03340	0.3
121.02847	14.0
122.03193	0.4
123.00768	6.9
123.04411	1.3
124.01560	13.9
125.02343	34.7
126.02676	0.9
132.02048	0.4
133.02879	1.6
134.03624	1.6
135.04419	15.9
136.01561	2.2
136.05243	1.4
137.02359	3.8
138.03111	0.2
139.00275	0.9
145.02855	2.2
146.03639	3.1
147.04453	1.7
148.01567	6.8
149.02351	28.9
149.05986	5.2
149.09946	0.2
150.02652	1.1
151.03960	0.4
152.01077	0.5
153.01796	0.4
159.04443	0.6
160.01595	0.8
161.02368	3.7
161.05998	3.1
162.03108	0.7
163.03926	19.1
164.04707	18.4
165.05037	0.5
167.04932	0.3
169.06549	0.7
171.04492	0.5
172.05200	0.5
173.05959	0.5
174.03011	0.2
175.03917	0.3
177.05472	0.5
180.05609	0.3
181.06517	0.4
183.04436	0.9
184.05186	0.3
185.06020	1.1
186.06813	1.7
187.03926	0.5
187.07574	0.5
195.04471	0.4
196.05200	0.6
197.06015	5.2
198.03178	0.3
198.06685	0.9
199.03978	1.3
199.07446	0.3
200.04704	0.7
201.05504	1.3
201.09129	0.6
202.06268	1.8
203.03383	0.3
203.06593	0.3
208.05238	0.6
209.06000	2.8
210.06740	0.9
211.03979	2.5
212.04688	0.4
213.05493	2.8
214.06290	7.0
215.06763	0.3
216.04239	0.9
223.04045	0.3
224.04730	3.1
225.05521	7.6
226.06277	4.4
227.03444	3.7
227.06854	0.4
228.04100	0.7
229.04973	0.7
229.08656	4.7
230.08954	0.3
236.04784	0.4
237.05550	1.0
238.06340	2.9
239.03488	0.4
239.07109	1.3
239.34227	0.2
240.04134	0.5
240.07660	0.3
241.05029	8.0
241.08687	0.3
242.05804	5.8
243.06085	0.4
246.05281	1.0
251.03664	0.4
252.04283	3.0
253.05040	15.5
254.05804	11.3
255.02972	11.2
255.06326	1.3
256.03592	1.1
257.04480	1.2
257.08218	1.9
258.08652	0.3
267.03622	0.4
267.06625	2.0
268.03815	1.6
268.07373	3.5
269.04782	5.0
269.08179	93.5
270.05365	58.1
270.08426	7.0
271.05713	3.9
272.06711	0.5
283.02658	0.4
283.06033	1.1
283.09689	0.8
284.06754	0.7
285.04224	5.1
285.07663	100.0
286.04828	0.4
286.08002	7.3
286.91193	0.3
299.09061	0.4
300.10001	83.7
301.07114	0.4
301.10349	5.9
315.12369	77.8
316.09256	0.2
316.12646	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	315.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07619	0.6
54.73135	0.6
59.01257	1.1
61.63164	0.5
71.01308	0.7
71.60562	0.7
71.60938	0.9
93.03395	1.4
95.01321	2.0
108.02117	1.8
109.02888	2.0
115.81292	0.7
121.02844	11.5
123.00771	6.1
123.04454	2.3
124.01575	13.2
124.02431	1.0
125.02343	34.1
133.02919	2.7
134.03758	1.4
135.04427	15.4
136.01633	2.1
136.05252	1.1
137.02408	2.8
138.03172	1.9
139.00308	1.0
139.04054	0.7
145.02881	3.1
146.03685	2.5
147.04463	0.7
148.01558	6.3
149.02350	27.3
149.05963	4.2
150.02859	1.0
151.00357	1.0
151.03972	0.7
152.01082	0.8
153.01915	1.5
153.05511	2.1
157.06490	0.9
159.04457	0.6
161.02380	5.8
161.06024	2.7
163.03918	15.5
164.04709	14.8
164.05948	1.0
171.10300	1.4
172.05206	0.7
177.05527	0.9
183.04480	1.7
184.05321	1.5
185.06062	2.0
186.06778	1.3
195.04431	0.9
197.06000	5.5
198.03148	0.6
199.03908	1.5
199.07603	1.9
201.05469	1.4
202.06284	2.0
209.06078	2.1
210.06821	0.8
211.03963	3.8
211.13354	1.0
212.04582	0.6
213.05513	4.4
214.02840	1.3
214.06296	6.3
215.03435	0.7
216.04262	1.0
224.04762	2.5
225.05513	6.7
225.39987	0.6
226.06322	4.3
227.03513	2.4
228.04250	1.0
229.05049	1.5
229.08644	3.7
238.06326	2.7
239.03496	1.8
240.04358	0.7
241.05014	8.9
242.02243	0.6
242.05762	5.1
243.06442	0.7
252.04269	2.1
253.05028	13.7
254.05806	10.2
255.02954	8.9
255.06429	2.1
256.03604	1.4
257.01813	1.1
257.04553	21.7
257.08057	2.3
258.04919	1.6
267.06665	2.4
268.03711	1.5
268.07333	2.7
269.04785	4.7
269.08176	86.0
270.05368	52.4
270.08438	6.0
271.05746	4.0
272.03961	1.0
272.06894	8.9
273.07190	0.7
283.06464	1.2
283.09808	0.9
284.06979	0.9
285.07672	100.0
286.08041	6.7
287.09247	7.4
300.02695	5.1
300.06479	5.9
300.09995	76.1
301.10315	6.0
315.04852	3.2
315.08734	8.6
315.12332	74.8
315.21686	4.5
316.09354	1.1
316.12668	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	315.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59211	0.5
50.87952	0.4
67.58817	0.4
69.42725	1.6
69.43154	2.8
71.01263	0.5
71.74136	0.4
73.63867	0.4
80.29774	0.4
88.97104	0.5
92.83218	0.5
93.03346	1.2
95.01284	1.1
98.20180	2.2
108.02084	0.9
109.02858	2.7
111.83144	0.5
121.02847	22.8
122.03141	0.6
123.00764	2.8
123.04455	0.7
124.01548	1.4
129.07021	0.9
131.04935	0.6
133.02838	3.2
135.00761	0.5
135.04420	2.4
136.01566	1.3
137.02377	1.9
138.03073	0.6
141.06985	1.7
143.04933	1.1
145.02896	0.7
145.06493	0.5
147.00821	0.6
147.04430	0.4
148.01567	1.4
149.02350	1.3
150.03157	3.0
156.05745	0.7
157.06511	4.8
159.04436	3.2
161.02362	6.3
161.06027	0.6
163.00259	4.0
163.03889	1.4
164.01108	0.5
167.04922	1.7
168.05724	0.8
169.06529	2.4
171.04495	1.2
173.06006	1.9
174.83330	0.4
176.01054	0.8
177.01811	0.7
178.02675	2.5
183.04430	2.7
184.05096	0.6
185.06017	6.4
187.03918	1.9
189.05548	1.3
191.03438	1.0
193.04926	1.0
195.04454	2.8
196.05135	0.6
197.06046	2.3
198.03151	1.1
199.03961	0.7
201.05502	5.8
211.03954	6.6
212.04742	2.8
213.05525	12.3
214.02744	1.8
214.05875	0.6
215.03429	2.1
228.04132	0.5
229.05034	7.2
230.05405	0.6
239.03481	4.8
240.04230	1.7
241.05038	7.4
242.02194	0.5
242.05580	0.6
254.05956	0.8
255.06636	1.0
256.03833	3.5
257.04550	100.0
258.04874	6.8
267.02963	1.1
268.03732	0.9
269.04547	1.5
271.06104	1.9
272.06909	64.4
273.07236	4.5
282.05341	1.7
283.06100	0.9
285.04013	3.7
287.09268	34.6
288.09634	3.7
299.05569	1.0
300.02975	0.9
300.06360	12.7
301.06689	0.9
314.43927	0.5
315.08755	61.1
316.09125	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	315.0875
Annotation	Daldinal B
Peak:m/z	Relative Intensity
59.01221	2.3
71.59567	2.2
71.59909	1.8
77.64601	1.5
82.43568	1.4
91.01755	4.8
93.03320	3.9
95.04915	6.2
108.02045	7.0
109.02818	6.8
111.00787	3.2
119.01289	1.6
121.02844	32.8
123.00742	9.8
123.04407	12.1
125.02360	2.3
129.06984	1.7
133.02815	3.9
134.34932	1.7
135.00720	5.3
135.04440	3.3
136.01569	10.7
137.02333	7.2
138.03082	5.4
141.07024	2.1
147.04390	5.5
148.01569	25.8
149.02362	39.8
150.03056	3.5
151.00298	2.3
151.03899	2.7
153.01816	6.3
153.05412	3.1
157.06471	4.5
159.04353	4.6
161.02350	29.0
162.03047	3.4
163.00264	14.1
167.04958	2.0
169.06480	3.4
171.04370	4.7
173.05977	3.9
177.01807	2.1
178.02623	7.0
181.06422	1.8
183.04446	6.5
185.06007	11.1
187.03905	5.0
189.05510	4.1
191.03488	2.4
193.04970	6.3
195.04456	5.5
197.02252	1.7
197.05994	3.2
198.03233	3.8
199.03868	4.4
201.01712	2.0
201.05576	4.8
211.03964	13.0
212.04688	3.0
213.05518	23.3
214.02605	3.8
214.05875	2.1
215.03401	7.6
217.04845	1.7
225.05473	5.6
226.02615	3.7
227.03473	3.7
229.05067	9.6
239.03461	20.4
240.04137	6.5
241.05025	20.9
242.02193	4.6
242.05228	1.8
243.02765	3.9
255.02936	3.4
255.06401	2.8
256.03604	4.6
256.07462	4.9
257.04541	82.6
258.04907	6.3
267.02963	31.2
268.03653	7.3
269.04404	7.1
270.05298	2.4
271.06320	3.2
272.06894	46.4
272.09851	2.2
273.07556	2.9
282.05331	15.9
283.05991	7.0
284.02988	2.4
284.06573	2.4
285.04001	81.1
286.04315	5.4
287.09232	24.0
288.09537	2.9
297.07635	11.6
299.05588	3.7
300.02939	3.8
300.06354	77.1
301.06689	7.7
315.04645	9.2
315.08719	100.0
315.19220	2.5
315.25220	2.3
316.09055	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	315.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	1.8
59.96877	1.1
71.60046	1.6
91.01774	38.6
93.03367	2.4
95.01262	2.1
98.20113	1.3
103.33310	1.3
108.02036	7.9
109.02846	4.3
121.02840	17.7
123.00794	7.0
123.04393	1.4
124.01595	9.5
125.02348	27.4
133.02893	1.9
134.03658	1.4
135.00781	34.4
135.04391	11.6
136.01566	1.5
136.05099	1.4
136.23666	1.2
137.02345	4.7
145.02861	2.5
145.59439	1.3
146.03607	1.8
147.04436	1.7
148.01581	11.4
149.02357	100.0
149.06035	2.6
150.02725	4.0
151.03938	1.8
152.01141	1.9
153.01852	39.8
161.02373	7.9
161.06056	2.2
163.00226	1.6
163.03920	12.5
164.04712	8.9
176.01071	2.4
180.00601	6.8
191.03394	2.3
196.05293	1.5
197.06052	4.8
199.04091	1.6
200.04726	2.0
201.34410	1.5
207.18155	1.3
209.06030	2.5
211.03941	2.9
213.05496	4.2
214.06281	4.9
216.04179	1.3
224.04765	4.4
225.05571	4.7
226.06189	3.0
227.03561	2.7
229.05051	2.2
229.08707	2.1
232.03790	2.4
234.54915	1.3
238.06314	2.3
239.03450	3.6
239.07123	1.3
240.04298	1.5
241.05052	8.5
242.02261	1.3
242.05865	3.7
252.04305	2.1
253.05034	9.0
254.05782	8.3
255.03040	8.3
257.04526	4.2
267.02991	4.1
267.06476	1.4
268.07352	3.0
269.04727	5.3
269.08185	60.8
270.05350	39.6
270.08487	4.8
271.05655	3.6
282.05148	1.5
283.06247	2.0
283.09772	2.5
284.03378	3.4
284.06714	1.4
285.04117	22.2
285.07706	69.3
286.04553	1.9
286.07968	3.3
297.07639	2.5
299.05807	2.0
300.02820	4.1
300.06412	20.7
300.10059	59.8
301.07153	1.6
301.10324	6.9
315.05084	4.8
315.08740	90.5
315.12439	51.3
316.09076	8.7
316.12656	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	315.0719
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
59.01246	1.8
70.00565	4.5
71.01256	2.1
75.29939	0.8
78.95786	1.3
81.03296	0.9
85.02809	2.8
95.01262	1.4
108.02050	77.1
109.02840	58.3
109.03600	2.3
110.03217	1.1
123.00748	1.4
123.04483	1.3
125.02293	1.4
151.00183	1.0
151.03932	2.5
152.01056	63.6
153.01842	72.1
154.02168	1.5
163.03920	2.5
165.01813	2.6
177.01848	1.4
195.04733	0.9
308.74777	1.0
315.07199	100.0
316.07587	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	315.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26199	1.8
62.33876	1.6
62.51680	1.8
63.85489	1.8
70.58669	7.4
71.01244	2.3
77.22545	2.0
83.72036	1.7
108.02058	100.0
109.02859	46.6
114.47908	1.8
121.95621	2.0
124.98173	2.1
152.01065	69.5
153.01859	50.4
154.02177	3.1
154.04350	1.8
166.36514	1.9
204.94943	1.9
212.74086	2.1
220.14732	1.8
221.71513	2.2
307.21246	1.9
315.07217	93.1
316.07599	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	315.0721
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
59.01252	1.1
69.71162	1.6
69.71577	2.0
71.01248	3.5
73.02810	0.9
81.03351	0.6
83.01248	0.7
85.02850	2.8
93.03348	0.9
95.01257	2.0
99.25219	0.5
101.02316	1.0
108.02052	100.0
109.02866	28.3
109.03954	0.6
110.03133	0.9
111.16946	0.6
113.02268	0.9
119.19062	0.6
121.02792	1.0
123.00783	1.4
123.04401	1.0
133.11252	0.5
136.02614	0.6
151.03911	1.8
152.01057	78.6
153.01848	32.9
154.02197	1.6
163.03909	1.6
165.01872	1.4
300.76965	0.6
315.07220	75.1
316.07596	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	315.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01214	0.7
62.62880	0.5
63.02228	1.1
65.00140	1.5
69.54767	2.6
69.55170	1.2
69.77238	0.5
71.01180	0.8
83.01261	2.3
91.01761	0.5
95.01190	1.2
107.01265	2.3
108.02050	4.1
109.02755	1.7
109.99905	1.7
116.38940	0.5
121.02838	3.7
121.29588	0.6
123.00771	4.1
123.04321	0.8
124.01431	2.2
125.02235	1.5
130.04118	1.1
133.02840	0.7
134.03534	0.6
135.00667	1.3
135.04283	1.0
136.01463	1.2
137.02362	2.3
146.03539	0.7
147.00699	0.5
148.01590	2.9
149.02368	4.4
149.99431	1.4
150.03041	0.8
151.00270	5.2
152.00989	1.2
153.01733	1.2
157.06447	0.6
158.03587	0.5
159.04330	1.6
161.02374	7.9
162.03038	1.1
163.00233	2.1
163.03816	2.0
164.00981	1.6
165.01877	5.0
166.02393	0.5
169.01349	1.0
172.05110	0.6
173.05928	0.6
174.03163	3.4
175.03839	1.3
176.01038	1.1
177.01758	1.8
178.02406	0.5
182.03548	0.9
183.04370	0.8
185.02332	0.8
185.05910	1.6
186.02939	0.5
187.03947	2.5
187.05347	0.5
188.01064	0.9
188.04610	2.0
189.01773	1.4
190.02655	3.6
192.00563	0.7
195.04420	0.6
199.03877	1.8
200.04666	2.3
201.01884	3.1
201.05367	0.7
202.02634	2.6
203.03436	21.2
204.04175	3.4
204.05759	0.6
205.01306	1.8
211.03822	1.4
212.04651	0.7
213.01869	1.6
213.05443	1.7
214.00659	0.9
214.02666	11.5
215.03412	5.6
216.00517	0.6
216.04225	4.7
227.03476	6.7
228.04205	5.4
229.01451	3.5
229.04842	1.7
230.02196	5.4
231.02951	11.8
232.03732	39.2
233.04044	2.5
238.02759	0.7
239.03435	1.4
240.04147	0.6
241.04962	0.7
243.02939	11.2
244.03670	3.9
245.04251	0.5
247.06035	1.6
255.02943	5.9
256.03729	5.6
257.04596	10.1
258.01694	0.7
267.03000	1.0
270.05353	2.6
271.02463	8.2
271.05777	0.7
271.06284	0.6
272.03207	7.6
272.06912	6.6
282.01767	0.6
282.05292	1.1
285.03751	3.4
285.07626	1.4
287.09222	3.3
299.02005	1.2
300.02762	100.0
301.03070	7.4
315.05124	96.6
315.08646	12.4
316.05438	7.6
316.08859	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
61.58742	0.3
61.72641	0.4
65.00124	0.8
66.61301	0.3
67.55280	0.3
69.29846	0.4
69.30158	3.9
83.01138	0.4
84.71827	0.4
107.01133	1.0
108.01970	0.8
109.02837	3.3
121.02715	1.2
123.00646	0.4
124.01474	0.7
125.02273	0.5
134.03516	0.5
137.02251	0.5
148.01558	2.0
149.02173	0.4
151.00267	2.6
152.00970	0.7
161.02292	0.7
165.01698	1.0
172.05086	0.5
174.03021	0.4
175.03781	0.5
177.01704	0.6
185.02061	0.3
185.05933	0.5
188.04518	0.6
199.03885	0.6
203.03317	0.4
213.05495	0.6
215.03345	1.5
216.04155	0.7
227.03313	1.2
229.01283	0.6
231.02776	0.4
241.04939	0.5
243.02922	2.5
244.03563	0.4
256.03659	0.7
257.04489	4.3
258.04874	0.4
259.02213	0.5
271.02423	2.3
272.03214	18.5
272.06784	3.4
273.03482	1.2
285.04077	0.6
287.01883	1.0
287.09293	1.8
299.02039	0.4
300.02753	100.0
301.03091	8.5
313.56638	0.4
315.05124	51.8
315.08679	4.6
316.05444	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	314.27
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
59.01244	3.7
65.43925	1.0
68.68908	0.9
71.58070	1.4
90.92226	1.0
232.99648	1.1
268.26575	2.0
270.24188	1.9
303.90961	1.1
314.27008	100.0
315.19797	1.8
315.25128	3.9
315.27496	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	315.0148
Annotation	3-O-Methylellagic acid
Peak:m/z	Relative Intensity
57.19089	1.9
57.49130	1.8
58.17320	1.7
58.84375	1.9
59.01249	4.1
63.02264	7.7
65.00201	24.2
71.01250	3.8
71.59928	2.7
83.01284	11.9
85.02793	2.2
91.01767	4.6
93.03325	3.6
95.01262	4.8
101.02299	2.7
107.01272	29.3
108.02084	2.5
109.02827	4.0
109.99979	5.8
111.00751	4.0
117.03302	2.4
121.02825	4.2
121.25256	2.3
123.00798	6.9
124.01524	3.2
125.02361	4.7
129.08745	1.9
133.02847	5.7
135.00778	12.9
139.03920	7.2
143.04933	8.9
145.02847	4.9
147.04459	6.7
149.02357	7.7
149.99522	2.1
151.00282	100.0
152.00745	2.5
153.01767	2.8
155.71568	1.9
157.02904	2.2
159.04391	10.5
161.02359	7.5
163.00336	12.8
163.03969	3.7
164.00925	2.1
164.98138	3.9
165.98969	5.5
169.01357	4.1
171.04405	10.9
173.02345	3.3
175.00307	3.2
175.03888	5.0
177.01840	6.1
177.99120	2.7
178.99794	61.2
185.02493	2.1
187.03886	12.0
189.01883	7.7
197.02350	2.5
199.03934	10.1
201.01901	6.2
203.03502	10.2
215.03441	24.2
217.01410	5.5
219.02841	3.8
227.03441	4.5
231.02954	10.1
241.01462	3.1
242.02180	2.0
243.03004	20.4
244.03337	2.3
245.00920	3.8
258.01730	3.8
259.02463	23.9
271.02536	15.7
287.01962	58.7
288.02350	3.5
315.01477	96.6
315.17780	3.2
316.02100	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	313.1786
Annotation	ESTRADIOL ACETATE
Peak:m/z	Relative Intensity
53.37075	0.5
59.01237	1.7
71.01258	0.9
71.58215	0.6
73.18122	0.7
79.05408	0.6
83.04886	0.7
89.02319	0.8
93.00022	0.7
93.03339	12.2
95.04890	1.3
107.04913	1.8
109.06480	1.1
119.04937	0.8
121.02844	0.8
121.06471	1.1
127.07516	0.8
135.45578	0.6
137.20061	0.5
138.36632	0.5
147.08040	2.1
147.11728	0.8
148.01259	0.7
149.09555	0.6
151.03903	0.8
177.21941	0.6
187.03720	1.2
187.85359	0.6
193.12192	1.1
213.08891	0.8
215.10442	2.0
217.12027	2.1
227.03429	0.8
227.17923	3.0
229.08536	0.9
231.10019	0.9
235.13106	1.0
243.09995	1.6
243.17520	0.8
245.19080	6.9
247.09474	3.4
249.11026	2.6
255.02985	0.9
279.12106	2.3
283.02597	1.6
293.15567	0.7
295.16815	1.6
297.14767	1.0
298.04874	1.5
298.15686	0.7
313.07523	1.5
313.17847	100.0
313.23810	4.0
314.18219	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	313.2384
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
52.79369	0.5
57.03323	0.6
59.01259	1.4
69.03328	0.5
71.59204	0.9
104.09942	0.6
153.42670	0.6
183.01199	0.6
184.01480	2.0
185.00587	8.5
229.48581	0.5
249.22379	0.5
251.23793	68.2
252.24100	7.0
269.24811	1.7
295.22806	26.4
296.23123	2.2
298.04630	0.5
313.16699	17.2
313.23853	100.0
314.16757	1.9
314.24188	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	313.2386
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
57.18670	0.6
59.01252	100.0
60.01582	1.0
65.09670	0.6
72.45171	0.7
75.01141	0.6
85.02842	0.6
118.05659	0.6
121.02847	0.9
126.41782	0.7
135.02493	0.6
225.22292	1.7
245.19116	1.7
253.21698	5.1
271.22791	43.3
272.23199	3.0
283.02628	1.1
298.04794	1.2
313.07187	1.4
313.17990	8.1
313.23840	13.3
314.18219	1.1
314.24313	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79549	0.7
59.01237	2.1
70.45740	1.2
70.46090	2.9
79.46107	0.7
94.06487	0.7
101.45220	0.7
107.03741	1.1
109.02874	1.3
119.04932	0.7
121.02821	2.1
122.05997	4.7
124.01547	2.3
125.02398	0.8
133.02853	1.7
136.46912	0.9
137.02339	2.2
148.03928	7.2
151.91994	0.8
152.07085	7.4
155.04936	3.7
160.03915	2.1
161.02379	4.7
163.00282	1.9
164.01076	1.7
176.01067	2.2
177.01750	0.8
182.03639	5.1
183.04439	16.9
185.02350	1.1
189.01886	1.0
198.03195	0.9
199.03931	12.1
200.04276	0.9
203.27626	0.7
211.03987	4.1
225.05449	1.0
225.14920	8.7
225.33842	0.7
226.02650	5.2
227.03453	63.3
228.03757	4.1
239.03535	1.9
251.03433	0.9
252.04243	2.8
253.05017	1.5
255.02989	19.0
256.03415	1.6
261.55237	0.9
269.04544	4.1
269.14023	2.4
270.05292	6.4
279.02869	1.4
280.03796	5.3
283.02481	87.6
284.02872	5.7
285.12506	1.5
297.03989	6.3
298.04831	89.8
299.05191	6.4
313.07193	100.0
313.11902	11.3
314.07608	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	313.083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01737	0.8
58.02842	1.3
59.01247	4.2
69.50613	4.9
70.02860	3.2
71.01238	1.5
72.99148	0.7
75.00747	0.9
80.73198	0.5
82.51942	0.5
85.02835	1.0
98.20557	1.0
110.97067	0.5
119.04884	0.7
129.01788	1.6
130.06535	1.0
142.06564	0.8
154.06532	1.8
156.08095	53.2
157.08458	2.3
161.79143	0.6
166.06543	4.8
167.06039	1.2
182.05922	1.2
182.08336	4.1
182.09700	1.4
183.09201	15.3
183.13725	0.8
197.07117	0.8
198.09349	1.1
207.09332	0.7
211.03949	2.9
216.54668	0.6
223.08707	1.2
225.10283	27.8
226.06271	1.6
226.10655	1.8
227.03386	0.8
255.02989	1.9
269.09302	100.0
270.01807	0.7
270.09610	7.1
271.15512	1.4
283.02417	2.5
298.04877	3.3
313.03476	1.4
313.07889	11.5
314.08746	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.4
59.01255	0.8
65.02453	0.4
67.33861	0.4
69.03330	0.7
80.94924	0.4
89.73277	0.4
90.87878	0.4
93.03337	1.9
112.70551	0.4
119.08577	1.1
121.06452	0.5
121.10123	8.5
123.08055	0.5
123.10375	0.5
125.09557	0.5
139.11180	1.9
141.09102	1.0
147.08044	1.8
161.09579	0.4
163.11195	0.5
175.07343	1.3
175.11269	0.8
179.10378	0.5
181.08429	0.5
198.59850	0.4
205.08385	0.6
207.09978	8.2
208.10277	0.8
209.07922	1.7
215.14281	0.6
217.15967	2.7
219.06442	0.5
223.75633	0.5
224.85808	0.4
227.17967	2.8
228.18115	0.6
233.11551	0.6
243.09671	0.5
243.17485	2.5
245.19083	26.2
246.19411	2.2
255.02864	0.5
283.02444	1.1
293.15247	1.5
295.16772	1.6
298.04788	1.1
298.15536	1.4
300.10309	0.4
311.16327	2.8
313.17847	100.0
314.18188	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	313.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
62.79383	0.4
69.28575	4.7
76.91933	0.4
77.08977	0.4
95.01273	0.6
98.19820	0.8
98.20471	1.2
108.02089	0.8
109.02833	3.3
121.02844	3.0
123.00805	0.7
124.01582	3.2
131.27338	0.4
133.02827	2.2
136.01590	1.0
136.44521	0.4
137.02338	3.9
148.01520	1.6
149.99524	2.4
155.04938	4.9
159.04411	1.6
160.01477	0.5
161.02341	5.0
163.00270	1.7
164.01080	1.1
171.04448	1.2
173.06041	0.6
174.03094	0.7
174.31531	0.4
176.01041	2.0
177.01863	0.7
182.03659	6.8
183.04446	24.5
184.04730	1.6
185.02344	2.5
185.05884	0.5
187.03920	0.5
189.01915	1.4
195.04413	0.8
197.06029	0.5
198.03163	1.5
199.03934	17.8
200.04280	1.0
208.05380	0.5
211.03947	4.8
213.01942	0.7
213.05542	0.5
223.03992	0.5
224.04735	1.3
224.66628	0.4
225.05409	0.8
226.02698	6.1
226.06137	0.6
227.03455	78.4
228.03828	4.6
238.02660	1.2
239.03458	2.4
241.05032	1.1
251.03354	1.7
252.04341	4.1
253.05035	1.2
254.05786	1.2
255.02974	23.7
256.03424	1.7
268.03735	1.0
269.04523	4.3
270.05356	6.0
271.05798	0.6
279.02887	2.1
280.03738	7.0
281.04300	0.7
283.02478	97.4
284.02832	6.4
297.04028	7.0
298.04828	89.2
299.02158	0.5
299.05191	6.7
313.07190	100.0
314.07553	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	313.072
Annotation	Prosogerin B
Peak:m/z	Relative Intensity
59.01244	2.1
59.08196	1.3
60.09301	1.3
64.14698	1.1
69.45524	5.4
69.45953	6.3
88.84235	1.1
99.92456	1.6
108.02034	5.6
109.02817	2.3
116.92746	1.4
121.02854	15.2
122.58736	1.2
123.04431	1.5
124.01554	1.3
133.02834	2.5
135.04396	1.7
148.01508	1.8
155.04936	1.5
161.02367	6.1
183.04454	3.1
197.06046	5.4
198.03218	1.3
199.03903	3.8
200.44788	1.4
211.03923	2.4
213.05531	2.7
214.02678	2.0
223.03790	2.2
224.04793	1.3
225.05559	5.6
226.06201	1.2
227.03429	8.0
232.68735	1.5
239.03467	4.4
240.04318	1.9
241.05042	19.8
242.05768	10.6
251.03635	1.7
253.04918	2.0
255.03003	7.8
256.07397	10.1
257.08130	4.6
269.04459	11.3
270.02063	1.8
270.05334	47.7
271.05746	3.0
282.04855	1.7
283.02490	20.4
283.05673	2.4
284.06866	2.2
285.04169	4.2
285.07660	40.8
286.08047	2.7
297.04056	1.7
298.01312	2.5
298.04752	14.6
313.03857	5.3
313.07172	100.0
313.23730	1.4
314.07544	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	313.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63713	0.8
55.30779	0.7
59.01244	3.4
69.50314	5.7
71.01244	4.6
72.99198	1.2
73.02825	1.3
78.95777	1.2
85.02825	1.4
87.00771	0.8
89.02312	1.4
95.01235	0.8
98.20515	1.5
98.23891	0.8
101.02306	2.6
109.02823	1.1
113.02289	1.9
126.47816	0.7
139.05301	0.8
153.01883	0.8
161.02287	0.9
161.04402	0.9
161.60121	0.8
167.04977	5.1
169.02899	1.4
171.04370	0.8
175.00368	0.9
183.04385	3.5
185.02315	1.0
187.03925	2.2
195.04489	1.7
199.04073	1.0
202.06215	1.1
205.65787	0.7
211.03946	59.8
212.04308	3.1
213.01843	0.9
215.03444	2.1
225.05534	1.3
226.06299	44.0
227.03397	4.7
227.06676	3.3
239.03448	6.4
254.05827	2.5
255.02972	14.6
269.04315	0.8
270.05322	7.3
271.05734	0.8
283.02484	22.5
283.05618	1.7
284.02945	1.2
298.04810	57.5
299.05121	4.4
313.07175	100.0
314.07587	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	313.0718
Annotation	Sylpin
Peak:m/z	Relative Intensity
53.32597	0.1
59.01245	0.3
70.59512	0.6
77.03860	0.2
77.90771	0.2
93.03297	0.2
104.90578	0.2
120.19627	0.2
121.02845	100.0
122.03185	2.8
122.43159	0.1
151.04010	0.2
180.05737	1.0
181.06520	4.7
181.99820	0.1
182.06844	0.2
197.06009	0.2
198.94826	0.2
201.11552	0.2
225.05530	6.5
226.05960	0.3
255.02911	0.6
269.08173	0.2
283.02441	0.7
298.01794	0.2
298.04816	0.7
312.22647	0.3
313.07184	12.3
313.23807	0.6
314.07602	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.072
Annotation	Unknow
Peak:m/z	Relative Intensity
63.74128	0.5
70.05831	0.5
71.01254	0.6
72.34395	0.6
80.86019	0.5
97.18623	0.6
100.95133	0.5
121.02853	15.4
122.03135	0.6
135.00803	0.9
139.11270	0.6
153.63487	0.6
155.04926	4.1
171.04405	0.8
183.04430	3.1
185.02315	1.1
199.03987	1.5
211.03922	2.0
225.05545	1.5
226.02658	0.8
227.03461	81.3
228.03853	4.7
239.03447	1.1
252.57375	0.6
255.02977	85.1
256.03250	4.9
266.02219	2.0
267.02963	0.8
269.04437	0.9
270.05322	8.0
282.01648	3.5
283.02481	19.1
284.02798	2.0
285.07446	0.8
297.04016	0.8
298.04828	100.0
299.05154	7.7
313.07178	76.1
314.07562	6.4
337.39386	0.6
338.83237	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	1.2
69.50728	4.7
76.95210	0.6
91.01814	0.9
103.69427	0.7
111.15165	0.7
135.00851	2.3
153.01929	1.3
155.05035	0.8
171.04561	0.9
183.04446	3.4
185.02448	1.4
199.03986	2.6
211.04036	3.6
211.05954	0.7
226.02686	2.4
227.03464	17.5
239.03511	3.8
241.05078	0.8
252.04245	0.8
255.02982	80.9
256.03323	5.9
267.02994	4.0
268.03812	0.7
269.04581	3.0
270.01822	1.1
270.05127	0.6
283.02493	100.0
284.02893	7.2
285.04059	3.1
297.04080	3.3
298.04825	33.8
299.02158	1.0
299.05209	2.6
313.03778	5.0
313.07175	89.4
313.23785	0.9
314.07526	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	313.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	0.6
65.00186	0.8
69.36115	0.3
71.09491	0.7
75.68737	0.3
93.03351	2.1
93.03834	0.3
95.01224	0.3
110.00044	0.4
111.89096	0.3
117.03355	0.4
121.02853	0.7
132.02104	1.3
135.00688	0.4
137.99495	0.3
141.03348	1.8
143.04947	2.5
153.03430	0.4
155.04918	2.5
155.10703	0.4
159.04424	0.6
160.98726	2.1
161.99506	2.0
163.00244	0.4
167.04918	1.3
171.04446	1.9
173.06033	0.4
182.03699	0.6
183.04448	3.3
195.04439	0.9
199.03937	5.2
200.04344	0.4
209.02386	0.7
211.03951	6.7
212.04364	0.7
226.02682	0.6
227.03455	17.5
228.03847	1.1
232.07579	0.3
237.01917	2.3
239.03447	9.6
240.03783	0.4
242.05852	1.0
254.02101	0.8
254.05820	1.5
255.02977	18.1
256.03363	1.4
269.04553	0.5
282.01733	2.0
283.02472	38.7
284.02753	2.1
297.04071	2.0
298.04819	100.0
299.05151	7.5
313.07178	49.1
313.23746	2.4
314.07538	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	313.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
84.87410	1.1
93.20229	1.1
98.20544	4.0
120.48094	1.1
130.16260	0.9
132.02083	10.6
133.21562	1.2
135.00793	1.6
143.04906	3.5
147.04417	4.5
149.99483	1.0
151.00143	1.0
155.04913	3.3
159.25325	1.2
163.00291	2.0
165.85793	1.1
167.04886	3.3
167.27095	1.0
171.04428	3.3
173.06018	1.1
177.01833	1.3
183.04410	7.4
185.02373	1.3
186.03185	1.1
189.75594	1.1
195.04489	1.9
198.03130	1.6
199.03937	12.8
210.03157	3.8
211.03926	29.4
212.04410	2.1
214.06198	3.0
223.03844	1.7
225.05505	1.4
226.02698	2.1
226.06367	5.8
227.03447	23.0
228.03894	1.4
230.13983	1.9
235.06783	1.2
238.02637	4.2
239.03467	18.0
240.04024	1.7
241.04958	3.9
242.02226	1.0
242.05713	4.3
253.04988	2.0
254.02264	2.1
254.05775	7.1
255.02965	44.4
256.03342	3.9
266.02136	2.5
267.03009	4.0
268.03741	5.1
269.04483	5.3
270.02170	2.1
270.05295	20.3
271.02448	1.3
281.04517	2.2
282.05338	5.5
283.02505	34.6
283.05942	5.1
284.02713	1.8
285.04477	1.9
285.07629	8.2
291.57581	1.2
298.04800	92.1
299.05054	5.6
313.03842	4.3
313.07150	100.0
314.03952	1.9
314.07355	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	313.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57061	0.4
71.57493	0.6
75.00743	1.0
89.69418	0.4
105.06049	0.4
143.05005	0.6
147.00769	2.0
148.01534	1.3
155.04901	1.4
157.02794	0.9
159.04379	0.8
161.02345	0.9
168.97636	0.4
171.04419	6.3
172.04744	0.5
175.00275	2.0
182.03670	0.8
183.04434	6.0
185.02396	0.7
187.03871	0.5
192.00534	0.7
195.04443	0.5
198.03026	0.5
199.03925	9.9
201.05441	1.0
210.03146	0.8
211.03929	15.0
212.04243	0.8
226.02548	0.9
227.03441	23.6
228.03752	1.0
229.04912	0.5
238.02669	0.6
239.03410	5.7
240.04021	0.8
253.01430	0.8
254.02255	2.3
255.02951	59.2
256.03311	3.2
268.03827	0.9
269.04504	0.7
270.05319	7.3
271.05588	0.4
281.00757	0.9
282.01694	1.1
283.02460	51.1
284.02802	3.8
285.00256	0.5
297.03891	0.9
298.04810	100.0
299.01889	0.3
299.05090	8.0
313.07156	70.9
314.07516	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64905	0.4
54.31712	0.4
61.34939	0.4
65.00201	1.2
71.49458	0.5
121.02837	4.0
123.00773	0.5
125.07895	0.4
139.05417	0.7
147.00729	0.5
159.04405	0.5
167.04945	4.6
168.05278	0.6
169.02847	2.9
171.04433	0.7
182.03445	0.5
183.04453	3.5
184.04665	0.4
185.02341	0.8
187.03914	2.3
195.04465	1.7
195.13814	0.7
199.03880	1.1
202.06290	1.9
210.03232	0.7
211.03943	63.8
212.04279	3.8
213.01889	1.8
215.03482	1.2
219.90562	0.4
225.05589	1.5
226.06297	50.9
227.03419	5.5
227.06653	2.6
239.03438	5.0
240.03972	0.5
246.87209	0.4
253.02025	0.4
253.05118	0.6
254.05771	2.8
255.02953	19.3
256.03317	1.5
269.04266	0.9
270.05319	7.8
271.05579	1.0
283.02466	22.1
284.02844	1.9
298.04810	61.3
299.05191	3.7
313.07159	100.0
314.07477	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	313.072
Annotation	Unknow
Peak:m/z	Relative Intensity
65.02514	0.5
67.40777	0.5
68.61504	0.5
70.72718	0.4
70.89940	0.8
70.90292	1.0
85.02867	0.5
87.64616	0.5
104.96161	0.6
112.95795	0.5
117.19353	0.4
125.09610	0.5
126.77392	0.5
131.97633	0.5
147.00853	1.6
148.01614	1.1
155.05000	1.1
159.04488	1.1
161.02409	0.6
161.69821	0.5
167.04912	0.6
171.04425	6.2
171.10237	1.0
175.00337	2.0
182.03632	0.9
183.04451	6.1
185.02170	0.7
192.00623	0.6
197.02383	0.5
198.03151	1.2
199.03941	9.9
201.05409	0.7
210.03279	0.8
211.03949	15.3
212.04367	1.0
213.01917	0.7
226.02797	1.1
227.03445	25.5
228.03888	1.6
239.03461	6.6
253.01593	0.7
254.02252	1.9
255.02969	60.6
256.03299	3.5
267.02768	0.6
268.03625	0.7
269.04541	2.1
270.05322	6.2
275.41110	0.5
281.01013	0.7
282.01578	1.3
282.05051	0.6
283.02484	51.7
284.02881	3.5
296.03116	0.7
297.03970	1.0
298.04822	100.0
299.05167	8.5
313.07169	80.6
313.20065	1.9
314.07550	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	313.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05282	0.2
64.45610	0.2
65.00217	0.6
71.37706	0.6
93.03332	2.3
132.02083	1.1
132.99251	0.3
133.02805	0.2
135.00804	0.4
137.73331	0.3
141.03371	2.0
143.04941	2.1
145.02917	0.3
155.04929	2.2
159.04446	0.6
160.98695	2.1
161.99516	2.0
163.00247	0.3
167.04907	1.5
169.02867	0.3
171.04430	1.8
173.05960	0.5
182.03683	0.6
183.04488	3.8
189.99052	0.4
195.04453	1.6
198.03091	0.4
199.03941	6.5
202.39911	0.3
209.02417	0.6
211.03960	6.8
225.05597	0.3
226.02748	0.7
227.03456	17.1
228.03812	0.8
237.01886	2.9
239.03464	11.4
240.04054	0.9
241.05035	0.3
242.02107	0.4
242.05814	0.7
254.02220	1.1
254.05630	1.6
255.02966	18.3
256.03342	1.1
269.04474	0.9
270.01715	0.3
282.01633	2.4
283.02484	35.4
284.02847	2.8
285.04065	0.4
297.04034	2.4
298.04822	100.0
299.05191	7.6
313.07166	54.7
314.07513	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	313.0354
Annotation	Wedelolactone
Peak:m/z	Relative Intensity
54.09985	0.6
59.01255	0.9
64.22318	0.7
69.41535	4.4
69.41964	2.0
70.46432	0.6
76.51994	0.6
80.87040	0.8
82.15684	0.6
96.52672	0.6
98.20541	1.2
106.96205	0.6
117.03343	1.0
121.02885	2.4
126.99276	0.6
130.04141	1.1
132.02109	1.1
145.02863	5.1
145.06514	0.8
153.01920	1.3
154.04115	1.5
155.04922	2.8
155.22026	0.8
157.02817	0.9
158.03642	2.5
159.04367	0.9
160.01555	4.4
161.02293	1.9
164.01062	1.9
169.02873	0.9
170.03642	2.5
171.04469	2.1
172.01556	1.0
173.02325	1.0
174.03152	6.2
176.01019	1.5
177.01840	1.6
182.03661	2.0
183.04456	9.8
185.02371	4.7
186.03201	3.5
187.00363	1.1
187.03879	3.6
188.01068	3.8
189.01877	1.5
190.02631	1.6
195.04442	0.9
197.02403	1.7
198.03139	14.5
199.03906	4.7
200.01039	1.4
200.33191	0.6
201.01830	5.5
202.02623	6.6
202.06367	1.1
202.99713	1.5
203.03151	1.2
209.02313	2.7
210.03308	1.3
211.03951	15.3
212.01031	0.7
212.04570	1.6
213.01897	6.4
214.02647	21.6
215.03128	1.4
217.08630	1.8
218.02150	2.9
218.15396	0.7
223.04059	0.7
225.05493	1.3
226.02693	10.5
226.06239	1.5
227.03456	13.0
228.03850	0.7
229.01392	2.2
230.02104	2.3
237.01871	3.1
238.02568	1.3
239.03461	9.7
240.04315	3.9
241.01407	1.6
241.08672	2.5
242.02165	27.4
243.02643	1.9
245.00841	2.7
252.00587	0.9
253.01443	8.4
254.02063	4.5
255.02962	20.2
256.03555	1.9
266.02170	1.3
267.02939	7.5
268.03735	6.8
269.00867	4.0
269.04431	1.5
270.01712	24.8
270.05176	3.3
271.02145	3.0
274.01181	3.3
281.00912	19.4
282.01608	1.6
282.05280	3.6
283.02478	31.0
283.06100	22.6
284.03156	3.6
284.06363	1.1
285.04089	18.5
285.07608	3.1
286.04251	1.1
297.00479	7.9
297.03778	1.7
298.01175	43.5
298.04794	21.3
298.08441	9.4
299.01547	3.3
299.05383	4.0
299.08368	0.8
313.03519	100.0
313.07166	24.0
313.10934	9.4
313.23929	1.4
314.03888	9.1
314.07657	3.1
314.10947	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	12,13-Epoxy-9-hydroxy-10-octadecenoate
Peak:m/z	Relative Intensity
57.03326	2.9
59.01251	1.6
69.03304	1.2
84.02018	1.4
89.03160	1.2
97.06496	1.5
99.08047	3.5
111.08042	1.7
113.09604	4.9
121.10079	1.2
124.33137	1.0
124.45554	1.0
125.09605	1.8
127.11169	3.4
129.09099	5.3
139.11171	8.9
151.11201	2.3
155.10793	1.2
163.11174	1.3
167.10585	1.3
169.12271	3.0
171.10191	37.0
172.10493	1.9
181.12251	5.3
183.10168	3.0
183.13867	2.3
185.11748	6.5
193.12248	5.6
197.11789	11.7
199.13297	7.0
201.11259	3.8
205.14215	1.3
211.13370	22.3
212.13701	1.3
227.12833	1.7
242.68733	1.2
249.22420	1.1
275.20190	3.6
293.21259	33.2
294.21667	3.0
311.22290	100.0
312.22571	9.3
328.68906	1.3
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	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
50.14756	0.9
54.55737	1.0
57.03315	1.8
71.49712	1.3
74.13277	0.9
74.39378	0.9
76.48441	0.9
91.92676	1.0
99.08023	2.7
102.03322	0.9
111.12494	1.0
113.09615	1.8
121.10176	1.1
125.09647	3.0
127.11209	4.7
129.09122	5.4
139.11211	9.2
155.10660	3.9
167.10532	1.0
169.12193	1.9
171.10182	51.8
172.10477	2.5
179.03667	1.1
181.12227	3.9
183.10175	3.1
183.13809	2.2
185.11749	6.1
193.12267	1.5
197.11743	8.3
199.13319	3.4
201.11235	7.5
207.10823	0.9
211.13344	12.6
231.46823	1.1
232.25970	0.9
256.14972	1.1
275.20090	3.5
292.25220	1.1
293.21225	24.0
293.24469	1.3
311.22269	100.0
312.22672	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	9(S)-HpODE
Peak:m/z	Relative Intensity
57.13804	1.7
71.16481	4.6
80.83252	1.9
92.08542	1.9
92.67915	2.0
111.38205	1.8
115.72713	1.9
118.93385	2.0
125.09641	3.1
183.01137	59.6
184.01572	2.3
185.11795	9.2
197.02765	2.3
197.11763	3.7
198.03375	2.3
248.83981	2.0
293.21228	27.3
304.79654	1.7
311.16879	100.0
311.22488	4.3
312.17154	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96721	0.7
57.03316	2.1
58.00468	5.6
59.01253	1.1
61.35734	0.6
71.17545	0.7
71.37350	0.7
71.37700	1.0
73.02810	1.5
77.15936	0.6
82.34923	0.6
97.06466	0.9
97.89928	0.6
103.05161	0.6
121.10071	1.4
125.09595	6.4
127.07549	1.3
127.11185	9.4
137.09613	1.8
139.11195	1.9
155.10646	4.3
157.12276	1.1
165.09117	3.2
171.10199	12.0
172.10555	0.7
183.10245	1.9
183.13858	5.9
195.13812	1.3
197.94084	0.7
199.09706	2.6
201.11266	76.7
202.11656	3.1
213.14934	2.0
223.16982	1.5
239.16423	1.3
240.04919	0.8
241.14403	2.1
275.20172	5.9
293.21204	8.3
294.21677	0.8
308.95157	0.7
311.22269	100.0
312.22589	7.4
316.36096	0.7
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
57.03331	1.3
59.01245	8.2
61.71842	1.0
66.51685	1.0
69.68295	1.1
71.01244	1.2
71.04887	2.5
71.07146	2.4
83.04886	1.5
101.05949	5.4
107.54014	1.0
127.07540	1.0
136.37431	1.1
162.06769	2.5
171.10156	3.2
191.14333	1.4
194.43900	1.1
196.17015	5.4
205.08643	1.8
209.15407	100.0
210.15739	4.9
210.48445	1.0
237.18599	3.2
239.03369	1.4
249.18567	22.8
250.18922	1.5
265.17993	1.4
268.03656	2.4
275.20132	18.2
293.21210	42.0
294.21530	3.0
295.10519	1.0
296.03119	2.1
296.76346	1.1
311.05588	4.1
311.19067	2.8
311.22238	83.1
311.29623	3.8
312.22641	9.0
315.72815	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03050	0.6
57.03330	11.1
58.00465	1.3
59.01249	1.2
70.87008	1.9
71.04884	0.9
75.54780	0.6
76.47138	0.6
78.66889	0.6
85.02832	3.8
87.04388	24.2
109.55849	0.6
147.81589	0.7
152.06253	0.6
171.08054	0.6
223.16991	54.7
224.17305	3.8
235.16977	5.6
253.18123	1.6
275.20123	4.8
293.21210	9.4
309.20682	1.1
311.22275	100.0
312.22623	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.6
59.01244	3.2
60.11926	1.0
60.50305	1.0
67.88972	1.0
71.20799	1.7
71.21110	1.3
72.85307	1.0
75.81439	1.0
83.04861	1.5
97.02846	1.5
97.06470	1.6
99.08044	3.2
113.03444	1.0
113.09598	4.7
121.10120	2.4
129.09151	5.3
139.11166	10.1
151.11063	1.1
153.12704	1.3
155.10628	1.4
165.12714	1.4
169.12195	1.0
171.10204	22.1
181.12317	3.8
183.13814	2.3
185.11729	2.4
193.12259	5.6
197.11740	4.1
198.27525	1.2
199.13342	2.7
201.11275	1.2
211.13345	14.7
212.13661	1.3
249.22023	1.4
293.21231	23.7
293.24466	2.1
311.22275	100.0
312.22592	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	311.2227
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
52.74810	0.6
57.03319	2.0
59.01244	1.5
61.82278	0.7
65.03864	0.7
70.64141	1.6
81.58273	0.7
83.04893	1.3
84.81615	0.6
97.02831	0.8
97.06454	1.7
113.09627	5.3
121.10119	2.8
125.09619	3.0
127.11177	3.1
127.24265	0.8
127.44175	0.6
137.09628	2.4
139.11182	29.0
140.11533	0.9
141.12717	1.1
147.59032	0.6
153.09148	1.6
155.10680	2.1
165.09084	0.7
165.12735	0.6
167.10638	1.7
171.10184	48.9
172.10483	2.4
183.10260	1.5
183.13795	1.2
185.11794	4.1
193.12260	2.0
195.13828	1.7
201.11266	3.9
211.13367	5.1
249.22232	1.1
275.20145	3.0
276.02371	0.7
293.21252	29.1
294.21582	2.1
311.22278	100.0
312.22617	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	311.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	6.0
58.02847	89.6
59.01238	9.8
67.02883	4.3
70.02853	6.5
71.01138	7.3
80.88715	3.2
82.50179	2.9
85.03945	16.3
87.04391	3.7
96.00796	4.3
97.03954	28.9
113.07112	19.3
114.01834	9.6
153.12732	5.6
168.61609	3.1
169.15906	7.0
183.01111	3.5
195.86876	3.1
196.16992	74.2
197.17407	3.6
209.15411	11.7
211.13371	5.7
223.16953	7.9
224.20284	3.7
233.36469	3.2
235.16995	11.4
249.19659	4.6
267.20767	100.0
268.21039	5.4
275.20187	6.5
293.18420	7.1
293.21521	5.4
293.76816	4.0
294.18909	3.6
296.03433	3.9
311.05490	3.1
311.12927	3.8
311.19620	18.6
311.22668	54.3
311.29535	7.4
312.22672	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	311.2018
Annotation	Longithorone K
Peak:m/z	Relative Intensity
59.01252	0.5
109.85085	0.2
113.57398	0.2
130.00513	0.2
133.06496	2.8
149.09625	100.0
150.09966	4.1
171.10201	0.2
183.01135	9.1
184.01738	0.5
197.02716	0.5
205.23944	0.2
216.00980	0.5
219.77596	0.2
249.22179	0.3
310.45627	0.2
311.16843	16.6
311.20193	51.7
312.17151	1.7
312.20557	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2229
Annotation	12,13-Epoxy-9-hydroxy-10-octadecenoate
Peak:m/z	Relative Intensity
57.03321	2.0
58.00480	1.6
59.01249	3.2
69.03323	0.7
71.04893	0.6
71.38919	0.9
73.68536	0.6
83.04916	1.1
83.49329	0.5
84.02041	0.7
97.06466	1.1
99.08038	8.5
111.08041	1.2
113.09616	6.6
127.07551	1.0
129.09109	17.4
139.11237	3.4
147.49489	0.6
151.11195	1.2
153.12741	1.3
155.10654	0.7
157.08617	1.0
159.06874	0.6
163.11171	1.3
165.12772	0.8
167.10669	0.8
167.14276	1.7
169.12273	3.1
171.10240	5.3
172.10410	0.5
180.20683	0.6
181.12263	11.2
183.01126	0.7
183.13846	5.3
193.12268	3.3
195.13815	0.9
197.11781	14.8
198.12129	0.7
199.13365	7.7
200.13811	0.8
201.11235	0.8
211.13342	38.3
212.13690	1.8
213.14899	2.3
230.84909	0.7
249.22217	1.1
265.21756	1.3
275.20154	3.2
293.21225	24.9
294.21536	2.3
311.22290	100.0
312.22665	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	311.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95282	0.7
57.03332	0.7
59.01250	100.0
60.01584	1.1
69.64490	1.7
69.64896	4.7
71.01251	5.5
72.38345	0.7
73.02835	2.1
77.33950	0.6
83.01282	0.9
85.02817	3.5
91.71072	0.7
98.20585	0.9
101.02315	3.8
113.02361	2.1
125.02370	0.8
139.99210	0.7
151.00224	0.8
161.04483	3.0
163.07614	0.9
253.79674	0.7
269.10352	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	311.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39163	1.4
56.73406	1.6
59.01253	100.0
63.19302	1.6
71.01259	10.9
71.35077	3.6
72.99155	1.7
73.02808	3.7
73.45110	1.2
82.41244	1.4
85.02824	4.0
87.00733	2.1
89.02318	4.0
101.02319	8.8
113.02314	3.6
135.04408	4.3
149.00868	8.3
149.01924	1.4
161.04520	9.8
178.74059	1.4
179.03386	4.2
189.05530	1.9
251.11290	14.4
252.45615	1.5
257.04135	1.7
283.73294	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01563	1.1
60.34253	0.9
70.79366	2.5
78.62582	0.8
99.04447	1.5
111.49754	0.8
135.04440	1.6
149.00826	2.3
161.13197	0.9
170.98717	0.9
207.13858	52.6
208.14198	3.6
251.12854	4.4
269.13855	2.0
303.49808	0.8
311.09244	1.3
311.15042	1.1
311.22287	0.9
311.29773	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
59.67958	0.2
69.26379	0.4
69.26783	3.1
79.95573	1.4
98.95463	0.3
108.41717	0.3
119.04917	1.8
170.00385	1.4
171.93307	0.4
183.01135	57.6
184.01846	4.9
195.93890	0.3
197.02686	1.2
198.03459	1.5
199.89886	0.3
216.01010	1.8
225.05956	0.6
230.02502	0.5
239.07442	0.8
247.20854	0.4
311.16861	100.0
312.17215	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	311.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30113	2.9
70.93168	0.2
72.14662	0.3
79.95580	2.0
80.96378	0.3
86.28632	0.3
98.95457	0.3
108.79060	0.3
119.04919	1.4
124.73753	0.3
159.80113	0.3
170.00365	1.7
183.01134	65.0
184.01741	3.2
197.02708	3.4
198.03433	0.7
216.00945	1.2
225.05905	0.7
230.02600	0.6
231.22253	0.3
239.07436	0.8
311.16855	100.0
312.17215	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	311.0985
Annotation	6-O-beta-D-Xylopyranosyl-D-glucose
Peak:m/z	Relative Intensity
54.06393	1.0
55.01748	1.3
57.03320	6.2
58.00472	1.9
59.01256	57.0
59.22264	1.3
69.03329	2.8
69.87450	6.0
71.01256	41.9
72.99168	4.7
73.02821	7.3
75.00750	7.7
75.29918	1.1
83.01272	2.6
85.02833	9.3
87.00761	9.1
88.59010	1.0
89.02324	56.6
90.02636	1.1
95.01272	2.9
97.83974	1.2
99.00745	2.6
101.02327	37.4
103.00254	1.9
103.03838	1.2
113.02327	15.7
119.03388	16.2
131.03395	13.9
141.01805	1.6
143.03452	1.9
149.04478	3.1
151.06015	1.3
161.04440	2.7
179.05502	4.2
191.05533	1.2
251.07693	8.5
293.08694	1.5
311.09836	100.0
312.10141	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	311.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.4
65.32384	0.7
69.03312	0.9
71.01254	6.2
73.02809	4.3
74.04276	0.7
87.00758	1.8
89.02316	26.4
90.02702	0.8
93.03326	0.9
94.93310	0.6
101.02365	1.0
103.03886	1.5
104.08006	0.7
107.04915	1.0
109.02835	3.9
111.00739	1.2
119.04908	5.3
126.85452	0.8
131.03386	6.5
132.02933	0.8
133.02837	1.0
134.03595	4.3
135.04413	84.2
136.04739	3.0
149.00766	1.8
149.04460	100.0
150.02026	0.8
150.04796	2.0
161.02364	3.4
163.03911	7.8
177.05522	2.8
179.03424	20.5
179.06763	0.7
180.03789	1.0
221.04510	7.3
289.55447	0.8
311.07660	3.0
311.22195	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47965	0.3
59.01243	1.6
61.92389	0.4
70.89674	0.9
70.90012	0.4
71.01258	4.2
73.02817	4.4
74.10078	0.3
75.86283	0.3
84.51328	0.4
87.00767	2.1
89.02322	26.7
90.02641	0.5
103.03910	2.0
107.04936	0.7
119.04922	0.4
131.03406	5.8
133.02864	1.6
134.03644	2.8
135.04419	24.6
136.04745	1.1
146.29506	0.4
149.04466	100.0
150.04817	2.0
155.49686	0.4
161.02333	3.2
163.03970	0.9
165.03986	0.5
169.01476	0.5
172.58643	0.4
174.94531	0.4
179.03427	17.0
180.03741	0.7
183.57323	0.5
203.44954	0.4
216.62115	0.3
251.65614	0.4
259.60870	0.4
311.07733	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14389	0.2
54.64204	0.2
56.20987	0.2
59.01254	1.7
69.03336	0.4
70.67348	0.2
70.90947	0.6
71.01257	5.7
73.02818	4.4
81.59761	0.2
82.44848	0.2
85.02825	0.3
85.22891	0.2
87.00760	2.4
89.02319	27.9
90.02637	0.3
101.02356	0.4
103.03885	1.8
107.04906	0.8
115.21001	0.2
117.03362	0.4
119.04874	0.3
119.79108	0.3
123.04414	0.2
131.03403	6.7
133.02852	1.3
134.03624	3.2
135.04419	37.0
136.04774	1.4
149.04463	100.0
150.04796	2.4
161.02341	3.1
177.26508	0.3
179.03426	21.3
180.03761	1.0
194.74841	0.2
207.06726	0.3
232.16847	0.2
283.06635	0.2
295.10153	0.2
311.07791	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77930	0.4
52.26167	0.4
54.35466	0.5
59.01242	1.6
74.49825	0.5
89.35999	0.4
91.01745	2.5
107.88670	0.4
108.02074	0.6
109.02856	0.7
120.57774	0.5
132.02043	1.7
135.00804	2.7
135.04393	0.5
148.01566	0.7
149.00829	0.9
153.01878	2.8
154.04128	1.1
158.03706	0.5
158.40372	0.5
161.02405	0.9
167.04936	1.2
174.02950	0.5
176.01074	0.7
180.05914	0.6
182.03676	3.6
183.04416	1.3
184.05151	1.3
185.02367	1.3
189.01736	0.6
195.04460	5.8
196.05174	1.7
197.02371	0.7
198.03162	3.4
199.03963	1.1
200.04652	0.5
208.05246	0.5
210.03200	1.5
211.03954	8.9
212.04553	1.3
213.01938	0.9
214.02634	0.6
216.75375	0.5
222.03293	0.6
223.03964	5.7
224.04736	5.4
225.05130	0.6
226.02779	0.6
238.02637	1.9
239.03442	11.8
239.05716	0.7
240.04214	6.9
249.01892	0.5
250.02716	0.7
251.03482	2.6
252.04315	0.8
253.05011	0.6
266.02158	3.0
267.02972	38.1
268.03714	21.7
268.06671	1.0
269.04135	1.7
269.63574	0.5
283.06033	3.4
295.02475	21.5
296.03235	33.6
297.03540	2.5
311.05603	100.0
311.22144	1.2
311.29642	0.5
312.05905	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	311.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49984	1.4
59.01247	5.9
71.06784	3.9
84.01320	1.5
84.29196	1.4
89.40392	1.7
96.17266	1.5
134.23976	1.6
163.59409	1.5
171.10100	2.2
183.01151	1.9
183.04459	2.2
195.04288	3.3
211.04076	3.4
212.04701	2.3
215.03433	6.2
224.04721	3.8
239.03374	9.7
240.04155	4.5
267.02985	5.5
268.03754	35.9
285.11816	1.7
293.21161	2.5
296.03244	100.0
297.03540	6.8
311.05576	81.1
311.13132	3.3
311.22223	17.6
311.29587	5.6
312.05948	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83186	3.0
55.78102	3.1
59.01252	100.0
69.39118	26.7
69.39524	7.8
71.01260	6.1
72.99220	4.2
85.02824	5.3
87.00750	3.5
89.02329	14.0
93.03331	3.9
100.21883	3.7
103.66647	3.3
119.04926	4.5
122.03615	17.1
134.03734	4.5
135.04442	26.5
137.02344	5.2
149.00835	12.2
149.02431	4.0
149.04446	41.8
152.36340	3.7
154.02734	4.4
161.02455	4.6
163.07581	54.8
179.03450	15.7
193.05017	3.7
207.06534	6.1
207.08412	5.5
285.04034	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	311.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47438	0.5
59.01252	2.8
62.55921	0.5
66.27151	0.5
69.55250	3.0
71.01251	6.2
73.02826	3.1
85.02805	0.8
87.00752	3.1
89.02319	27.8
97.22108	0.5
98.19769	0.7
103.03892	2.1
131.03404	7.3
132.03688	0.5
133.02902	0.9
134.03653	1.4
135.04414	34.4
136.04691	1.1
149.04465	100.0
150.04788	2.2
159.28085	0.5
161.02342	4.1
167.76390	0.5
179.03430	19.2
311.07846	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62032	0.2
64.10906	0.3
69.47143	0.2
71.58364	0.5
95.01313	0.2
99.67252	0.3
100.85217	0.2
109.39793	0.3
123.00790	0.7
143.04929	0.4
147.00777	1.9
149.05936	0.3
154.04118	0.2
167.04970	1.4
171.04451	0.4
182.03647	0.4
183.04468	1.5
184.05235	1.6
187.03963	0.8
195.04428	4.6
196.05205	1.5
210.03185	0.4
211.03957	6.3
212.04678	2.5
215.03462	3.1
216.77184	0.3
223.03987	1.4
224.04738	4.1
238.02531	0.4
239.03462	14.0
240.04196	5.4
241.04678	0.4
243.02870	0.4
256.11035	0.3
266.02145	0.5
267.03000	7.7
268.03754	40.6
269.04071	2.9
295.02435	2.5
296.03253	100.0
297.03595	8.3
305.12393	0.3
311.05606	70.7
312.05948	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16138	0.3
54.45430	0.3
59.01257	1.6
60.29871	0.2
61.79574	0.3
67.55596	0.3
69.52380	2.2
71.01242	0.3
86.40326	0.3
107.04929	0.2
135.04362	0.3
149.00877	0.6
160.10239	0.3
163.13927	0.3
164.62169	0.3
171.10223	0.5
197.02390	1.5
211.13484	0.6
237.02036	0.3
249.18402	0.4
253.01399	32.4
254.01724	2.6
266.01819	0.4
267.03021	0.9
268.30179	0.3
277.48483	0.3
279.03040	0.3
281.00903	100.0
282.01257	6.0
293.21188	1.0
295.02408	1.2
296.03244	36.7
297.03683	3.0
311.05594	32.8
311.22223	5.2
311.29727	0.4
312.06036	1.9
329.81644	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0408
Annotation	cis-caftaric acid
Peak:m/z	Relative Intensity
58.92999	0.8
59.01254	9.0
71.06500	2.1
72.99181	12.4
87.00755	24.1
89.02297	1.5
101.02319	1.0
103.00239	4.6
103.30730	0.9
105.01852	1.6
107.04929	0.9
107.50732	0.9
130.99731	1.6
134.03613	3.7
135.04416	47.7
136.04704	1.2
149.00821	100.0
150.01135	1.6
166.37930	0.8
174.51639	0.9
179.03407	37.9
180.03711	2.1
253.43123	1.1
311.09695	1.7
323.85754	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
67.39529	0.5
71.45080	1.1
75.85283	0.5
85.12694	0.5
108.17998	0.5
123.00758	1.1
147.00842	1.7
167.04901	1.1
171.04387	0.7
183.04469	2.5
184.05121	1.5
187.03920	0.9
195.04404	4.7
196.05167	2.0
211.03903	5.1
211.05659	0.7
212.04735	2.2
215.03479	3.9
216.39798	0.5
223.03920	1.2
224.04694	3.3
238.02625	0.8
239.03491	13.9
240.04176	5.5
267.02954	8.3
268.03741	39.8
269.04108	2.8
274.29608	0.6
283.06085	0.6
295.02512	2.2
296.03247	100.0
297.03619	7.6
311.05597	75.5
312.05933	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	309.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.2
59.01234	2.7
70.97073	1.8
71.01256	1.0
79.95598	1.7
83.04901	1.1
96.95895	13.2
113.09598	1.8
125.09639	1.8
136.96017	0.7
140.76665	0.7
141.12747	1.0
151.07494	1.9
152.08339	2.2
171.10188	48.9
172.10536	2.3
185.11761	0.8
195.13835	1.5
197.11809	1.2
209.15439	2.8
215.48323	0.7
291.20270	1.8
291.23309	61.9
292.23602	5.5
309.17401	19.6
309.24341	100.0
310.17673	1.8
310.24640	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	309.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.6
59.01247	4.5
69.03310	1.7
71.01256	1.5
74.22479	0.9
74.79084	0.9
79.95602	10.2
80.96384	1.0
83.04882	1.0
95.95106	2.0
96.95892	83.0
98.20563	2.8
111.08058	1.3
122.97483	3.0
125.09595	2.1
127.11259	1.2
151.03917	1.7
151.07504	5.0
152.08321	2.2
153.77197	1.1
171.10188	36.7
172.10535	1.3
184.07307	1.3
185.11674	1.5
197.11809	3.9
209.11710	1.7
209.15411	5.5
229.45609	1.2
242.94199	1.1
252.09877	1.5
265.18069	1.7
291.19772	5.4
291.23248	37.4
292.23669	1.8
309.17416	100.0
309.20193	4.1
309.24323	65.7
310.17755	9.5
310.24585	5.1
327.37875	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.8
65.30653	0.9
66.03358	2.4
69.03326	3.7
71.04890	9.2
74.02336	4.3
80.04936	5.1
82.06495	2.2
95.68063	0.9
112.11224	8.5
121.53197	1.0
149.93057	1.3
153.12756	9.9
156.10185	3.0
169.15871	5.1
181.15903	100.0
182.16206	4.7
183.01138	34.2
183.17467	11.2
184.01904	3.7
197.02789	1.3
207.16116	2.1
216.00948	1.4
225.22108	1.3
248.23779	8.8
249.16106	1.1
264.23404	7.2
266.24872	62.7
267.25201	3.6
310.17734	3.0
310.20679	1.9
310.23907	29.1
311.16867	62.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.041
Annotation	cis-caftaric acid
Peak:m/z	Relative Intensity
51.75226	0.7
59.01251	11.3
59.05723	0.7
67.93376	0.7
70.77719	1.7
70.78060	1.1
71.26876	0.7
72.99181	9.3
87.00752	21.9
91.01620	0.7
103.00254	4.4
105.01824	0.9
107.04884	0.9
120.45432	0.6
134.03671	3.8
135.04419	44.5
136.04779	1.7
149.00826	100.0
150.01158	1.9
179.03429	41.6
180.03828	1.4
184.20012	0.7
189.05501	1.1
232.45515	0.7
260.07346	0.7
274.65042	0.6
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
54.51607	1.2
57.03322	3.3
57.73570	1.0
57.84162	1.2
59.01248	3.8
65.58670	0.9
65.60146	1.0
69.03316	1.3
69.52893	9.4
71.04893	31.2
74.44777	1.1
77.98990	1.0
95.04881	1.6
97.06475	9.2
100.40138	1.3
106.05820	1.1
107.04922	2.8
111.08051	2.5
119.08569	2.0
121.10122	6.4
123.08089	2.6
125.09630	7.8
127.11188	1.6
127.36129	1.0
135.08020	1.7
137.09627	33.9
138.10007	1.7
141.12715	1.3
149.65317	1.3
151.11263	1.3
159.59944	1.3
163.14876	1.1
171.10184	88.1
172.10530	4.3
181.12283	1.9
184.18604	1.3
185.11778	14.6
186.12059	1.2
193.21780	1.4
195.13896	1.6
197.11769	3.8
207.13739	2.4
211.13437	1.8
217.48558	1.1
219.13840	3.9
233.15376	4.4
235.17044	3.7
237.14966	5.0
238.15178	1.3
247.20848	2.2
251.16515	32.6
252.16837	2.5
254.01602	1.1
273.18713	3.2
291.19666	100.0
292.20020	7.4
309.20706	88.7
310.21127	7.3
325.77252	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	36.4
59.01246	13.0
60.71540	2.9
68.69562	2.4
69.03316	8.4
69.46753	16.0
69.47166	5.4
71.01271	14.6
71.04912	2.9
80.02562	6.3
83.04899	12.5
93.03352	2.7
93.20467	2.4
95.04906	8.1
97.06463	12.0
111.08044	14.7
113.09635	22.0
123.07987	3.3
125.09590	8.0
127.11157	3.2
139.11203	6.2
149.09605	4.9
151.07512	5.0
151.11194	57.0
152.08391	6.4
153.12704	7.6
155.10751	2.9
161.09764	3.4
163.11241	6.7
165.12772	53.9
165.86435	2.7
167.10693	6.3
171.10242	4.3
179.10744	19.0
179.14253	3.5
181.12277	51.2
183.01248	3.9
191.10722	19.4
195.10233	4.5
209.11772	100.0
209.15442	10.4
210.12143	4.8
211.13373	9.4
227.12892	3.3
247.20685	13.1
263.20160	6.1
265.21667	5.7
281.21170	5.0
291.19635	28.8
309.14896	37.3
309.20493	31.9
310.21097	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	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93015	1.0
55.01753	1.4
57.03317	4.7
59.00996	1.0
59.01255	7.4
69.03339	1.6
71.04891	15.9
83.04876	1.3
93.07009	1.7
95.04886	1.8
97.02834	1.3
97.06468	6.3
98.06795	1.2
101.02348	1.2
111.08048	5.3
119.04983	1.3
119.08548	4.4
121.06493	1.2
121.10130	9.9
123.04369	1.7
123.08053	2.3
125.09624	8.2
127.07555	1.3
131.03040	1.1
137.09624	20.4
141.12811	1.4
165.12891	1.3
171.10190	47.4
172.10472	2.2
185.11763	12.8
197.11771	13.5
207.13820	2.5
211.13277	2.4
219.13910	2.2
229.19641	1.2
235.16972	1.3
237.14902	3.9
247.17043	1.4
247.20601	2.5
251.13904	2.1
251.16498	37.4
252.16910	1.8
263.19882	1.0
265.07623	2.6
265.18176	1.4
270.08914	1.1
273.18552	5.6
291.19662	100.0
292.20050	8.6
309.10223	9.4
309.20712	71.0
310.21024	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	5.7
58.00488	2.4
59.01245	4.1
69.03333	4.1
71.01266	2.4
71.04875	2.9
71.35606	5.4
80.02551	10.4
84.02039	4.0
95.65761	2.0
97.06514	2.5
101.72204	2.1
123.08051	23.9
125.09614	21.5
127.11176	9.0
137.09650	12.9
139.11212	8.6
141.09099	3.4
141.12756	3.1
155.10687	62.8
167.10641	7.7
171.10182	99.3
172.10612	4.3
185.11758	100.0
186.12027	2.9
209.11842	3.0
211.13408	2.7
212.10469	3.8
226.16110	2.4
247.20734	4.8
255.81155	3.0
263.20062	13.1
265.21738	4.2
269.44202	2.5
281.21307	17.4
291.19656	41.9
292.20032	2.7
297.58466	2.4
309.17267	4.7
309.20590	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36000	2.8
57.03312	6.8
59.01249	32.2
65.03828	7.0
66.04158	4.0
69.03333	3.2
70.03173	18.1
71.04887	13.9
76.67874	2.9
77.37775	3.1
77.90257	3.2
83.04887	4.8
88.62221	4.2
96.95894	4.4
97.02825	4.5
97.06480	11.9
98.06772	7.0
111.08022	7.6
113.09621	6.7
119.08535	5.4
121.06497	11.5
122.06815	11.6
123.07093	4.2
125.09599	8.5
135.07977	6.2
137.09615	12.1
163.11176	4.1
165.12767	4.6
166.87801	3.2
171.10165	19.6
185.11647	5.7
186.12102	7.0
187.12283	6.1
195.10201	7.4
195.13815	4.6
197.11826	17.5
209.15446	9.4
213.13995	5.3
227.12758	4.4
227.16531	21.8
237.13853	9.2
247.20702	7.3
263.20386	3.4
265.18076	4.8
273.18628	8.7
291.19669	96.0
292.19931	13.3
309.10315	6.1
309.17426	5.3
309.20688	100.0
310.21091	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.02551	0.9
57.03330	3.7
58.94140	1.1
59.01253	3.4
67.01763	2.1
69.03349	1.2
69.87411	4.7
69.87824	1.2
71.04890	4.1
79.95631	1.3
80.02549	10.6
81.03342	5.6
83.04896	35.3
84.02041	13.5
84.05185	0.9
88.37482	1.2
95.04909	2.2
97.02821	1.3
97.06461	5.5
98.03576	1.4
98.20400	1.9
99.00779	1.0
99.08036	11.8
99.92428	0.9
106.09401	1.1
109.06474	4.5
109.07192	1.0
111.08022	2.8
113.09627	2.8
115.07518	4.7
118.15117	0.9
119.08605	1.6
122.03523	1.0
123.04412	3.6
123.08093	2.1
125.09628	6.8
127.07612	1.1
127.11189	5.8
135.08038	1.4
137.09621	52.9
138.09970	2.8
139.07460	1.0
139.11197	9.0
142.02669	1.7
151.03902	3.7
151.07523	6.5
151.11212	5.7
152.08295	5.7
153.09125	9.1
153.12671	2.2
154.09857	2.6
155.10687	57.2
156.10976	2.2
160.40134	1.0
163.11189	1.3
165.09111	1.4
165.12779	3.3
167.10649	4.9
169.12248	3.1
170.00304	1.0
171.10181	56.3
172.10518	1.8
175.11221	1.1
179.10707	1.0
180.04219	1.2
181.12358	1.1
183.01128	3.6
190.13493	1.1
193.12280	32.7
194.12766	1.0
195.13864	2.2
197.11725	1.5
209.02765	2.7
209.11763	11.4
209.15363	8.2
211.13382	5.3
221.11903	2.1
223.04228	2.2
245.19066	1.1
247.20662	9.6
252.10045	1.2
263.20212	6.8
265.18201	2.0
265.21762	5.1
273.18600	2.9
281.21179	2.0
291.19656	100.0
292.19983	11.3
309.15305	42.2
309.20718	97.5
310.15463	2.8
310.20938	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.8
57.03328	1.8
59.01245	3.8
65.69218	1.2
69.03327	1.8
70.08011	6.8
74.51669	1.1
75.56838	1.1
81.03309	4.2
83.01248	10.3
83.04901	2.6
95.04913	1.9
97.06464	5.1
108.02101	1.3
111.07993	2.0
112.50385	1.2
113.05167	1.3
123.04421	2.6
123.08038	3.3
125.05921	2.7
125.09615	11.9
135.08041	2.7
137.09641	1.5
139.11171	12.9
151.11185	1.7
161.09576	1.4
162.10405	1.6
163.11203	8.3
165.09103	1.5
165.12788	14.6
167.10651	3.5
171.10266	1.7
172.77994	1.1
181.12225	3.6
183.13829	2.0
191.10663	3.3
193.12177	1.2
193.15944	6.8
209.11772	50.6
210.12083	2.5
219.17430	1.2
247.20662	14.9
265.21738	3.9
273.18613	5.3
281.21255	2.6
291.19678	100.0
292.19989	10.9
301.93973	1.1
309.15152	3.4
309.20697	29.5
310.21054	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	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	4.2
59.01227	6.8
67.71644	3.3
71.44222	2.8
74.02193	3.0
80.02546	9.9
83.04903	5.2
84.02031	2.9
98.19796	12.3
99.00771	4.1
102.09230	2.9
111.08060	8.3
120.91471	3.1
123.08064	17.3
125.09650	16.4
127.11192	10.1
137.09615	17.1
139.11203	7.5
146.39212	2.9
149.95657	2.8
151.03931	6.3
151.07555	11.1
152.08313	10.7
153.09018	4.2
155.10678	46.1
167.10667	9.0
171.10179	100.0
172.10527	4.8
185.11740	88.0
197.11804	18.4
209.11763	5.5
209.15414	20.6
211.13380	4.8
229.83279	4.6
247.20663	8.2
258.67810	3.5
263.20114	9.1
265.17972	4.6
281.21201	12.7
291.19653	57.2
309.16980	27.2
309.20694	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.6
59.01243	1.8
64.60416	1.1
70.04646	1.9
70.05025	4.6
98.19874	1.6
99.88294	1.2
111.08049	37.2
116.00317	1.0
127.07562	2.3
131.94568	1.2
150.06917	1.1
153.12750	2.1
169.12257	6.5
181.12199	2.0
197.11769	100.0
198.12131	5.4
199.13318	3.2
211.13321	7.5
227.12872	3.4
262.06119	1.1
263.20132	4.7
265.18091	3.0
273.18497	1.6
291.19669	18.0
292.19830	2.0
309.17230	2.1
309.20743	29.3
310.21127	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49184	0.9
58.00457	1.8
59.01233	1.4
69.03317	1.5
71.34917	1.9
75.61627	1.0
78.00810	0.9
84.98316	1.0
94.68066	1.0
109.06448	1.6
111.08044	33.4
127.07504	2.4
139.27689	1.3
151.11159	1.9
153.12692	1.5
167.10666	1.0
169.12222	8.6
171.10191	5.7
181.12294	2.0
183.13889	1.3
197.11772	100.0
198.12073	7.2
199.13306	4.6
211.13344	12.1
224.79755	1.0
227.12851	2.5
236.99913	0.9
263.20151	7.4
264.20682	1.0
265.18100	1.7
273.18625	1.4
291.16711	1.6
291.19672	16.7
292.19977	1.7
309.20718	28.4
310.21066	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83596	1.5
57.03316	6.1
59.01250	2.8
61.63905	1.6
69.03321	4.6
70.71581	5.2
71.04878	4.8
79.61708	1.5
79.96379	1.5
83.04893	6.4
85.02823	2.5
85.06461	6.3
87.04379	3.5
95.04901	2.3
97.02831	39.3
97.06460	2.9
109.06470	4.1
111.04410	3.9
122.08152	1.5
133.78366	1.6
137.09622	12.3
164.92911	1.7
165.12740	1.5
167.10646	2.3
171.10188	22.2
179.14348	4.1
195.13849	30.5
217.15959	2.0
221.15408	23.0
223.13380	12.9
223.16975	1.6
233.15445	3.8
239.12836	4.7
239.16541	5.9
247.20634	5.8
273.18625	7.8
291.19675	73.4
292.19952	6.1
309.20694	100.0
310.20944	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	2.7
58.00476	1.8
59.01249	5.8
63.78040	1.3
69.03332	4.8
70.90678	3.4
83.04896	1.7
107.08549	1.7
111.08029	3.3
116.84797	1.4
119.08559	12.0
125.09595	7.3
127.11144	2.8
135.08073	3.1
137.09622	34.8
138.10013	2.4
155.10696	4.5
167.10712	2.0
171.10191	100.0
172.10521	5.6
183.10190	5.3
185.11763	22.7
195.10153	1.6
197.11812	7.3
201.11349	8.2
211.13284	3.6
213.11285	11.5
242.17204	1.4
254.16541	1.5
273.18628	6.2
291.19638	30.8
292.19983	2.7
309.17264	2.6
309.20703	29.9
310.20975	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29690	1.1
54.59264	1.2
57.03320	4.2
59.01248	4.8
61.74855	1.2
69.03342	1.5
71.04896	21.8
71.15321	3.0
72.12318	1.1
83.04909	2.3
95.04906	2.0
97.06443	5.9
101.74683	1.2
119.08543	2.7
121.10108	8.7
122.10423	1.7
123.08021	2.5
125.09605	8.2
135.08043	1.4
137.09616	25.5
148.89853	1.3
171.10181	53.2
171.11649	2.8
172.10542	2.8
172.94432	1.1
183.10152	1.8
185.11771	14.0
186.12048	1.4
197.11711	2.6
207.13837	2.4
209.11923	1.7
219.13786	2.8
221.15587	1.9
235.17017	1.6
237.14816	2.9
239.16557	2.0
247.20569	2.7
251.16507	45.8
252.16853	3.2
273.18494	2.6
291.19659	100.0
292.19980	9.6
309.20706	64.1
310.21222	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	3.7
59.01250	8.0
69.03327	1.8
69.39034	11.5
70.14010	1.3
71.01234	1.1
71.04890	31.1
85.02877	1.2
85.35957	1.3
93.06929	1.7
95.04890	3.1
95.19121	1.4
97.06467	10.3
98.19830	2.3
107.04878	1.6
109.03594	1.2
111.08053	7.9
112.86898	1.1
119.04973	1.2
119.08562	2.5
121.06417	1.7
121.10111	7.3
123.08022	2.5
125.09599	9.0
127.11147	2.6
128.21483	1.3
135.08055	2.0
137.09625	41.0
165.09654	1.2
169.12325	2.0
171.10182	87.3
172.10526	2.5
181.12265	2.2
185.11766	14.7
186.12059	1.5
192.66295	1.3
194.17482	1.1
195.13840	1.6
197.11783	18.2
197.65463	1.2
199.34593	1.1
207.13832	4.0
211.13351	2.6
219.13889	3.2
221.15503	1.8
225.14912	1.2
233.15425	4.8
235.17006	3.2
237.14946	5.0
239.16512	4.0
247.20639	3.1
251.16508	27.3
273.18613	3.6
291.19662	94.6
292.20062	9.1
309.20694	100.0
310.21109	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03312	1.9
57.92413	1.2
59.01242	3.1
67.01766	1.7
69.03316	1.6
70.89044	1.2
70.89388	2.9
92.29349	1.3
97.06461	2.3
98.20192	2.3
111.08037	3.8
116.04485	1.2
121.10145	12.0
122.78443	1.2
123.08020	1.2
125.09611	8.8
125.73196	1.3
130.27513	1.3
137.09569	2.7
139.11140	1.5
139.36852	1.3
167.14326	2.1
171.10220	7.9
185.11769	11.0
197.11789	5.4
209.11708	2.4
211.13330	65.3
212.13579	3.1
225.14801	3.0
247.20610	3.4
251.16637	1.7
253.11588	1.3
256.88474	1.2
262.76181	1.3
291.19659	100.0
292.20023	10.2
309.20694	20.7
310.20862	3.1
313.46304	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
64.52856	1.6
69.03329	11.0
69.78461	2.9
69.78874	7.9
83.04917	3.3
85.02832	5.4
86.62634	1.3
97.02832	79.6
98.03170	1.9
108.39980	1.4
111.08030	4.2
119.08529	6.1
125.09612	4.9
125.85362	1.4
127.11130	2.3
137.09625	33.3
138.09938	1.8
151.07507	3.8
152.08319	3.8
155.10693	2.0
170.02458	1.7
171.10185	55.4
172.10478	1.7
177.12692	1.5
185.11801	3.6
193.12256	1.5
195.13892	3.3
209.15359	5.9
211.13371	5.6
212.09219	1.3
221.11783	9.3
229.19543	1.5
239.12875	9.6
247.20709	1.5
273.18570	7.2
291.19632	31.8
292.20193	3.5
306.76743	1.5
309.17142	9.0
309.20682	100.0
310.21091	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.61017	1.3
61.01051	1.3
68.05492	1.2
71.01255	2.9
71.46370	1.9
71.46718	1.6
87.80431	1.3
92.25632	1.2
116.63906	1.5
153.09125	1.4
249.13382	2.5
326.45282	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47272	1.1
54.52697	1.1
59.01252	100.0
69.03300	2.5
70.38725	4.2
71.01252	5.9
73.02803	2.6
75.00747	2.7
80.96408	1.9
84.04437	1.2
85.02818	4.5
89.02303	2.1
96.19629	1.5
96.95854	1.4
98.19839	1.4
99.00783	1.8
101.02331	3.1
113.02357	2.3
125.02364	1.5
133.02858	1.3
133.06470	2.0
141.01785	2.2
151.03911	1.7
161.04509	1.5
163.03835	1.3
177.01843	3.3
249.13385	1.7
258.04581	1.6
291.07162	1.4
305.60281	1.5
309.09631	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35411	1.6
54.62625	1.5
57.03313	3.4
59.01255	5.5
69.03329	4.7
74.65302	1.4
82.94035	1.4
83.04925	1.8
103.97762	1.6
106.04199	1.4
106.19914	1.5
108.05708	2.2
119.08549	23.2
125.09619	9.2
127.11176	4.7
135.08057	3.5
137.09627	37.2
139.11180	2.3
139.68669	1.5
149.09636	1.5
151.11169	2.2
153.09074	1.8
155.10736	3.3
167.10648	3.7
171.10185	100.0
172.10564	4.8
183.10168	5.9
185.11748	28.3
195.10251	2.9
197.11665	1.8
201.11284	7.4
213.11284	11.4
229.19556	4.5
229.52426	2.0
263.20340	2.3
273.18628	12.2
273.86169	1.5
291.19662	23.7
292.19861	2.8
309.20700	40.6
310.21008	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20611	2.0
54.07844	2.0
59.01254	9.8
64.48994	2.1
71.01292	2.5
71.57932	3.0
79.95644	3.0
83.04904	2.4
97.06464	3.7
99.00770	2.1
111.00862	2.1
111.08029	2.5
121.10133	3.0
125.09611	5.3
135.04176	2.1
137.09634	3.8
139.11211	3.2
141.09059	2.4
151.03915	6.8
151.07549	12.1
151.11166	2.6
152.08348	7.9
153.12822	2.3
153.40547	2.2
155.10703	5.9
165.12796	6.2
167.10666	2.2
170.00346	3.5
171.10188	11.7
183.01198	12.5
183.13820	6.1
184.01875	3.4
185.11740	8.1
193.15829	3.1
195.01297	2.3
196.02014	2.6
209.02754	5.3
209.11815	14.6
209.15402	21.2
210.12025	2.8
211.13359	3.7
245.19313	3.4
247.20592	5.8
252.09915	3.8
273.18765	3.0
291.19604	42.8
292.20081	3.5
309.15344	100.0
309.20749	27.5
310.15213	11.3
310.21100	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
70.15009	10.2
71.01222	1.9
88.51138	1.7
114.48076	2.6
121.05206	2.3
122.03615	7.6
135.02570	2.3
142.01036	2.0
161.09586	4.8
162.09119	19.4
163.07550	21.3
177.09099	2.1
186.09082	3.9
204.10260	18.9
205.10585	2.1
237.70654	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	309.1092
Annotation	gamma-Glutamyltyrosine
Peak:m/z	Relative Intensity
53.17337	2.0
57.76730	1.8
58.02819	2.1
59.01250	8.6
62.22224	2.2
67.87219	1.9
68.30802	2.0
70.85886	5.4
72.00819	4.3
74.02334	4.8
84.04436	2.5
93.03335	4.9
101.07082	2.4
109.03956	5.1
119.04903	16.8
123.05524	4.6
127.05024	20.1
128.03427	100.0
129.03767	2.1
141.06584	3.3
163.03952	12.9
167.04549	14.8
180.06567	57.2
181.06796	2.7
185.05656	2.9
247.10806	2.7
265.11859	2.4
291.09845	15.6
309.11139	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	309.1191
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
58.00462	2.1
58.02850	1.6
59.01251	97.0
71.01253	37.8
71.56112	1.4
71.56503	1.8
72.00772	4.1
72.99194	2.7
73.02854	1.7
74.02334	1.6
74.20154	1.6
77.58849	1.6
82.02853	4.5
83.01263	3.0
85.02844	11.1
89.02322	37.3
93.03320	3.5
95.01230	2.3
95.62908	1.4
95.91193	1.6
101.02326	25.6
101.07092	2.1
109.03961	3.7
111.04401	4.6
113.02322	14.7
114.80247	1.7
119.03405	21.1
119.04883	14.0
123.05540	3.8
127.05046	20.1
128.03424	100.0
129.03813	2.5
129.05479	9.9
131.03450	1.5
141.06580	3.0
143.03442	2.2
161.04375	1.8
163.03896	15.5
167.04549	15.2
179.05658	2.7
180.06581	53.1
185.05490	2.0
190.96614	1.6
216.79132	1.5
247.10869	3.6
273.08862	2.2
279.30643	1.5
289.97308	1.5
291.09946	16.4
309.11899	60.2
310.12402	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	309.1193
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
50.36684	0.9
51.53040	0.9
59.01254	100.0
71.01254	28.5
71.49816	2.4
72.99176	2.1
73.02813	1.5
83.01279	1.1
85.02829	7.2
87.00729	1.4
89.02317	29.1
95.01266	2.5
99.98558	1.1
101.02320	18.7
105.34896	1.0
107.96785	1.0
111.04413	9.2
113.02345	12.0
114.97339	0.9
119.03408	13.9
129.05470	22.9
143.03412	1.5
161.04367	1.7
179.05539	2.3
306.19809	1.0
309.11929	51.1
310.12250	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	309.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01610	1.4
64.20570	0.8
67.85564	0.9
71.01261	1.5
71.40316	0.9
71.59205	1.2
83.04908	1.1
104.47771	1.1
107.89967	1.1
133.02864	1.3
134.03679	1.3
137.02335	1.5
149.00876	1.8
151.53786	0.9
161.02385	1.3
161.13245	7.6
185.70493	1.0
186.81836	1.0
199.13367	1.2
205.12271	40.9
206.12659	3.0
217.56984	1.1
223.13226	0.9
249.11328	2.5
290.75085	1.2
309.13089	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99853	2.0
59.01226	4.5
66.60903	2.0
69.84528	2.0
70.24409	10.1
71.01251	23.5
77.06604	1.9
84.04419	3.1
88.03899	4.1
104.44930	2.0
108.02039	4.4
109.24493	1.9
110.13721	1.8
114.01855	48.9
115.00255	39.1
117.03329	2.3
123.04404	6.5
125.02326	7.6
132.02895	20.1
134.03624	100.0
135.03918	3.6
149.04846	4.0
149.05984	68.3
151.18126	2.2
160.01598	5.3
162.03076	4.8
169.01335	11.5
170.01683	4.8
175.03911	9.1
177.05444	6.3
177.07823	2.1
192.06602	35.4
193.04977	42.4
202.82645	2.0
220.09625	3.3
246.07652	13.8
264.08829	12.3
275.48599	2.1
308.07745	74.8
309.08160	3.4
314.05902	2.8
334.57153	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	308.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22096	0.5
55.81966	0.4
59.01256	4.0
60.01596	0.6
67.81013	0.4
69.66513	3.0
70.60430	0.4
71.01253	5.9
72.00775	0.5
72.01574	0.9
85.02839	0.6
86.03179	0.5
88.03915	25.6
89.02318	1.6
101.02335	1.5
102.02646	0.6
113.02312	0.7
114.01864	4.3
115.00264	11.0
116.86471	0.4
119.03403	0.6
123.04366	0.5
130.31790	0.5
132.02930	100.0
133.03259	1.7
134.03632	10.5
134.45415	0.5
135.04422	0.8
145.08672	0.6
149.05986	4.1
160.01622	1.3
175.03918	1.7
178.99501	0.4
192.06708	0.8
193.05037	3.7
204.06653	0.5
264.08737	1.4
308.07809	5.7
308.14294	8.7
309.08145	0.6
309.14505	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.228
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
57.03313	1.9
59.01253	1.8
65.39707	0.8
71.01231	0.7
71.58331	0.8
74.90436	0.7
88.06673	0.8
97.06430	1.6
125.09618	3.9
127.11193	2.7
127.37891	0.8
135.04451	1.6
141.12733	1.4
144.07715	0.8
144.71558	0.9
151.11189	1.1
163.11127	1.4
179.03401	1.1
185.11761	8.6
197.11636	1.3
223.02847	1.0
275.20050	1.5
289.18152	1.1
291.09146	1.6
307.22784	100.0
308.23090	8.4
309.45706	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2278
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
66.29353	0.4
71.22059	0.5
71.22370	0.6
82.45467	0.4
97.83015	0.4
104.27496	0.4
113.09658	0.5
141.52528	0.4
179.77599	0.4
184.95866	0.4
225.82935	0.4
307.22787	100.0
308.23148	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.228
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
59.01250	6.7
63.74840	1.0
69.36226	0.9
71.01254	1.5
71.58378	0.7
71.58818	1.2
83.04927	1.3
89.50369	0.9
125.09605	2.0
134.95616	0.9
149.09627	1.7
169.47310	1.1
176.86119	0.9
177.16417	1.9
179.03389	1.4
179.14342	2.0
185.11778	1.8
197.11806	1.5
223.13272	2.2
231.21083	7.9
275.20157	100.0
276.20514	7.7
307.22794	41.7
308.23120	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2279
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
50.00780	1.8
59.01244	7.1
70.87121	1.7
71.01251	4.2
80.71486	1.9
87.51545	1.7
94.38661	1.9
97.13566	1.8
128.23668	2.2
179.14293	2.7
195.13847	3.0
205.12276	2.2
205.15817	3.0
208.88989	1.9
219.19327	1.9
223.13399	9.3
231.21135	7.4
263.59927	1.9
275.20154	100.0
276.20532	9.0
307.19321	3.6
307.22754	48.6
308.23166	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	6.5
59.01245	11.2
65.03835	17.1
69.32801	3.9
69.33134	36.6
71.04882	11.6
81.03345	3.9
83.04929	4.0
95.04911	4.9
97.02874	3.3
97.06459	24.7
98.20524	6.8
104.31491	3.4
109.97966	3.0
119.08520	6.0
121.06470	26.8
123.08012	4.1
125.09615	25.0
126.91361	3.3
135.04378	8.3
137.09628	13.0
137.38841	3.5
163.11165	8.9
179.03394	5.6
185.11763	100.0
186.12131	9.5
191.14333	10.3
209.11768	19.5
211.13342	6.4
225.11388	3.4
231.16832	4.2
235.13388	18.8
245.19070	32.7
246.19464	5.5
247.12886	4.1
289.18127	71.7
289.21280	3.9
290.18317	4.5
307.19174	78.7
307.22809	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	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.4
59.01247	4.3
69.03342	1.2
71.01245	1.6
71.04909	1.2
80.02556	1.6
81.03339	2.0
83.04899	7.4
85.02803	1.4
89.74483	1.0
90.18034	1.0
95.04927	2.1
96.95892	0.9
97.06468	4.0
98.94720	1.1
102.78802	1.1
108.31788	1.2
109.06461	1.5
111.08034	1.7
121.02854	1.5
123.08018	1.8
125.05944	1.1
135.04442	2.6
135.08032	1.8
137.02322	1.4
137.09616	1.9
141.09114	6.3
151.11218	1.3
161.04524	1.3
163.11234	6.4
165.09093	1.3
165.12769	4.0
177.12718	1.4
178.09914	8.1
179.03458	1.4
181.12279	2.2
183.13863	1.4
185.11916	1.3
191.14325	9.2
202.88901	1.1
209.11783	58.8
210.12102	3.4
211.13489	1.6
219.13852	2.2
227.59203	1.1
236.10402	1.5
238.12071	3.5
245.19081	10.9
249.19873	1.0
253.10799	2.8
263.20251	4.0
279.19675	1.6
289.18112	34.1
290.18445	3.5
307.19162	100.0
308.19376	8.6
310.16531	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	9.5
59.01244	5.2
70.35065	6.8
71.01251	8.3
82.57244	2.7
83.04886	4.1
89.03074	2.6
97.06470	17.0
98.03574	3.5
109.06494	6.0
111.08028	11.3
123.04392	3.3
124.88071	2.6
125.09607	4.9
142.09943	2.7
149.09621	4.9
151.11203	18.6
153.09123	5.2
153.12793	5.4
155.10693	14.8
163.11217	4.8
165.09038	2.9
165.12759	19.8
167.10617	3.9
169.12234	5.9
177.12753	5.8
179.10664	7.5
181.12238	20.3
191.10617	7.1
191.14354	9.9
197.11699	3.8
209.11754	30.8
211.13336	9.6
224.10333	3.1
239.09259	6.1
245.19077	40.2
246.19524	3.5
263.20187	10.4
279.19736	4.7
279.73669	2.8
289.18091	47.3
307.19162	100.0
308.19382	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64378	1.7
55.01751	4.4
57.03326	3.7
58.46881	1.9
63.73003	2.0
64.33753	1.6
65.03833	72.9
71.04895	34.0
76.36266	1.5
97.06468	65.2
97.07105	3.1
98.06815	3.0
98.20489	4.0
99.98285	1.4
102.71119	1.4
106.24368	1.6
119.08547	14.9
121.06485	100.0
122.06870	3.9
123.08053	3.2
125.09611	40.6
137.09596	5.1
163.11203	2.1
163.80133	1.6
185.11757	80.7
186.12033	4.9
209.11772	28.2
211.13344	37.4
212.13618	2.4
217.12306	2.1
233.15196	2.0
235.13359	86.6
236.13678	5.6
289.18024	14.0
292.65112	1.8
307.19153	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	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.0
59.01250	1.6
65.79385	0.5
69.03338	0.7
70.12173	1.5
71.01249	0.6
71.04897	5.1
80.02566	1.0
81.03341	1.8
83.04910	1.7
95.04897	1.7
96.95847	0.9
97.06439	0.6
98.03589	1.3
106.04063	0.9
107.04910	1.2
109.05711	0.7
109.06479	14.2
109.07246	0.7
110.03650	0.5
111.04401	6.3
111.08057	1.2
112.05183	1.3
121.02836	0.5
121.06475	0.6
123.04392	0.8
123.08023	1.1
127.07525	2.9
135.08043	1.0
137.05998	0.8
137.09630	0.7
143.10693	1.9
145.06480	2.0
149.09631	1.2
167.10690	1.9
177.12668	0.6
179.10666	0.9
181.12306	0.5
191.14314	1.1
195.13828	4.0
207.17444	0.6
215.14459	0.6
235.13350	1.6
245.19096	4.9
249.14989	0.5
251.16539	1.3
261.18597	0.8
271.17072	1.3
273.15112	0.5
287.16415	1.4
289.18097	100.0
290.18423	7.0
307.19174	11.3
308.19559	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	3.1
59.01249	5.3
69.03329	2.7
70.34091	3.0
70.34447	7.0
70.39155	1.5
80.02572	4.8
81.03326	3.3
83.04906	6.7
84.02071	2.4
93.03349	3.0
95.04894	3.2
97.06454	3.8
98.03633	3.4
99.08048	4.3
106.04151	4.1
107.04989	1.8
107.08564	3.8
109.06504	3.0
121.06478	7.1
123.04431	1.8
123.08079	6.5
125.09623	12.3
125.79880	1.7
127.07564	15.8
134.88359	1.8
135.08064	31.5
137.09656	10.0
139.11238	2.4
149.09616	2.5
151.11185	7.6
153.09091	7.4
171.10194	32.9
177.12758	2.8
179.10651	2.6
185.11754	20.4
191.14281	2.8
193.12320	7.4
195.13931	2.1
195.41515	1.8
199.13306	3.7
209.11833	2.8
211.13304	10.9
223.13390	3.5
233.15498	3.8
245.19034	22.1
251.20135	1.9
261.18661	3.2
263.20184	6.9
267.12473	2.6
267.22021	1.7
269.41586	1.9
271.17014	3.2
279.19666	4.7
289.18121	67.9
290.18414	3.9
307.19168	100.0
308.19501	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	5.2
59.01253	8.9
66.29367	1.0
67.01732	1.4
69.03310	2.1
71.01234	1.3
75.95177	0.8
80.02547	2.9
81.03329	6.0
83.01259	6.5
83.04889	3.4
84.01989	1.2
90.77180	0.9
93.03307	1.5
95.04886	4.2
96.95925	1.3
97.02819	6.2
97.06466	10.1
98.19846	2.3
98.20540	2.9
109.06469	3.6
110.03619	1.4
113.05949	1.4
119.08572	1.3
121.02799	1.6
121.06449	2.6
123.04388	9.3
123.08025	4.6
125.05971	1.9
125.09605	18.8
126.79057	1.1
129.68080	0.9
135.08037	3.1
137.05983	1.3
137.09616	11.8
139.11136	1.2
141.12758	3.4
142.02617	1.5
149.05960	2.6
149.09569	1.6
151.11220	1.4
160.08800	1.3
161.09601	1.3
163.07542	1.6
163.11205	16.2
163.83849	1.0
164.11533	1.1
165.12761	3.6
166.09868	1.0
167.10738	1.7
171.10202	1.8
177.12779	1.9
179.10724	2.4
181.12178	4.8
185.11752	24.5
186.12100	2.0
191.10725	2.2
191.14323	22.0
191.80962	1.0
207.10219	11.0
209.11765	29.8
210.12299	1.1
211.13322	1.2
217.16019	2.1
217.91872	1.2
225.11255	10.4
227.17981	1.4
229.15599	1.4
245.19077	44.0
246.19437	4.3
247.17007	1.6
263.20142	1.5
271.16989	4.1
289.18091	100.0
290.18451	8.2
307.19144	51.0
308.19501	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	4.8
59.01237	11.4
60.31453	4.0
60.50214	3.4
61.15939	3.7
69.03284	4.1
71.57790	5.1
77.92564	4.8
78.55606	4.3
79.95611	12.7
81.03347	7.2
82.53860	4.4
83.01250	5.9
83.04900	4.6
96.95888	5.3
97.02858	4.1
97.06454	9.7
97.12398	3.7
109.87556	4.1
121.02831	6.6
121.06495	8.4
123.04369	8.3
123.08031	6.4
125.09615	17.3
135.04445	5.9
135.08148	4.2
137.09628	12.6
156.58943	3.8
163.11148	12.5
171.10173	12.5
185.11739	19.6
191.10710	4.4
191.14308	21.8
207.10193	8.7
209.11778	13.6
225.11182	6.5
245.19125	51.1
263.20044	7.6
271.17053	7.8
289.18082	100.0
290.18457	9.7
307.13641	16.4
307.19116	70.9
308.19199	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	307.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	9.8
59.01242	9.3
69.03340	3.5
70.01318	10.3
71.01243	9.4
80.02547	3.9
83.04907	5.3
84.02060	2.7
90.86065	2.3
93.06987	4.2
95.04906	4.7
97.06461	19.4
106.04137	5.1
107.08570	4.0
109.06460	5.2
111.08048	7.5
121.06473	17.1
123.04482	2.8
123.08031	7.3
125.09631	14.5
135.08073	13.2
137.09613	6.0
149.09584	4.2
149.36632	2.3
151.11201	23.9
153.09081	14.8
153.12750	5.7
155.10675	15.7
163.11203	8.4
165.12764	33.5
167.10698	8.3
169.12279	3.4
171.10185	35.5
172.07478	2.4
177.12856	4.1
179.10718	4.6
181.12267	25.7
185.11765	53.9
186.12045	2.4
191.10684	10.5
191.14345	8.1
197.11899	2.8
205.12280	3.7
209.11784	49.8
211.09982	2.3
211.13445	6.5
212.10446	3.5
224.10410	4.6
239.09203	4.6
245.19102	46.8
246.19487	3.2
261.18472	5.5
263.20242	14.8
271.16949	4.3
279.19528	6.5
289.18103	57.4
290.18475	7.1
307.19159	100.0
308.19601	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	307.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49406	1.6
57.03286	2.0
58.00470	3.5
59.01252	100.0
60.59326	1.6
63.00362	1.7
69.61887	14.4
71.01254	65.3
72.99162	4.1
85.02824	10.9
89.02322	77.0
95.01235	4.0
101.02317	27.2
113.02325	19.7
119.03394	28.4
127.07542	40.4
143.03381	3.6
145.02283	1.7
149.04440	2.6
161.04483	2.9
179.05521	4.1
191.37323	1.7
322.05701	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.5
57.03329	1.9
58.00469	4.6
59.01253	100.0
60.78221	1.2
69.63722	1.1
71.01257	59.1
71.38742	1.8
72.99178	4.1
73.02834	2.0
83.01248	2.3
85.02819	13.1
87.00761	3.4
89.02319	81.4
95.01294	3.8
101.02325	28.4
113.02339	26.0
119.03403	28.5
127.07544	49.4
128.07901	2.2
131.03429	3.8
131.05151	1.0
138.05470	1.6
143.03445	3.0
145.08667	1.7
146.95815	1.0
149.04456	2.1
161.04472	3.3
164.93271	1.3
179.05547	7.3
187.07620	2.1
213.09077	1.2
231.10315	1.7
263.12863	2.6
307.13998	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	307.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	4.3
57.03322	5.5
65.03835	63.6
65.44147	1.1
66.04168	1.3
69.03310	1.3
70.91959	3.3
71.04892	38.0
83.04901	3.5
85.06428	1.0
87.91557	1.0
93.03328	5.0
95.04913	1.6
97.06469	65.9
98.06770	1.4
100.03911	1.0
107.04952	2.1
109.06438	3.0
117.06988	4.5
119.04922	1.3
119.08559	18.1
120.05695	1.5
121.06486	100.0
122.06809	3.2
123.08067	3.4
125.09615	46.0
126.09967	1.3
133.06439	1.3
135.08060	23.3
137.09613	3.7
138.09956	1.0
141.12711	1.8
165.75859	1.1
171.10202	18.0
185.11760	73.5
186.12120	2.6
209.09872	2.2
209.11780	30.6
210.12149	2.7
211.13344	32.3
212.13614	2.2
233.15471	2.6
235.13364	91.5
236.13693	4.6
245.19011	1.6
249.14871	2.2
271.16922	2.6
279.19647	1.8
289.18091	29.8
290.18423	3.0
307.19186	27.5
308.19522	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	305.2486
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
67.55176	2.2
75.32716	2.4
90.24060	2.3
147.37610	2.5
179.99146	2.1
294.55530	2.2
305.24857	100.0
306.25232	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	307.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52280	0.4
57.03320	2.9
59.01232	1.0
60.01252	0.7
61.00891	34.4
62.23061	0.4
69.03319	1.3
69.96190	1.5
69.96604	1.2
71.01233	1.9
73.02803	2.0
85.02822	2.9
87.00734	1.3
87.04394	3.7
89.02322	5.6
99.00755	0.8
99.02491	2.7
101.02326	4.8
103.03841	0.7
111.53396	0.4
113.02347	1.0
113.04040	5.0
113.23927	0.5
114.02328	0.6
115.01972	30.7
129.03548	3.6
131.03374	1.9
131.05080	0.8
144.00575	4.0
144.57986	0.5
145.01268	0.5
149.04457	7.4
156.03406	1.3
157.03041	76.5
158.03368	1.4
174.04417	1.3
175.04106	65.8
176.04445	1.7
229.05188	0.9
245.08398	1.5
247.06351	2.4
289.07599	0.5
307.08487	100.0
308.08853	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	307.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14256	1.0
57.03321	2.9
59.01240	3.8
60.03848	1.0
61.00894	26.0
69.03319	1.4
69.47375	10.1
71.01255	4.6
73.02822	2.8
73.81669	1.1
78.13053	1.1
79.13693	1.0
85.02834	4.1
87.00767	2.5
87.04411	2.9
89.02341	4.6
91.47498	1.3
99.02483	1.6
101.02314	3.9
113.04063	4.0
115.01973	25.3
127.17168	1.1
129.03571	2.3
144.00549	1.4
149.04488	5.6
157.03056	64.1
175.04124	50.9
185.06245	1.3
245.08406	1.9
247.06204	2.0
254.14090	1.3
307.08456	100.0
308.08755	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	307.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79692	0.2
58.99310	0.2
59.01253	0.5
59.86250	0.3
70.01845	1.3
70.89664	0.2
71.01254	0.3
74.98945	4.5
91.02074	2.9
93.00021	4.5
102.67961	0.3
127.30795	0.3
139.98170	0.3
149.00864	3.2
150.98779	0.4
159.08391	7.4
160.08672	0.3
161.06320	2.4
174.64928	0.2
192.98163	0.5
206.99585	1.6
209.01239	2.8
217.07201	1.0
223.02792	50.7
224.02823	4.2
225.00716	0.7
241.03946	1.9
275.05960	0.6
289.07492	2.1
289.18130	0.4
290.07410	0.4
291.09100	100.0
292.09213	10.7
307.12265	1.9
307.19247	0.6
308.12326	0.4
309.10120	2.7
310.10394	0.3
321.57413	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01368	0.4
59.01250	1.1
59.96609	0.4
62.74685	0.3
65.98991	0.3
71.59203	0.4
74.98943	4.4
91.02076	3.4
93.00018	6.2
119.12181	0.4
135.04422	0.5
149.00841	3.2
159.08369	8.0
161.06287	2.3
179.03380	0.5
181.97058	0.4
185.11807	0.5
192.98059	0.5
206.99619	1.7
209.01201	2.4
217.07187	1.1
223.02788	50.1
224.02834	3.8
225.00763	0.8
241.03772	1.8
289.07471	2.1
289.18164	0.5
291.09106	100.0
292.09216	10.0
307.12408	1.6
307.19202	0.7
309.10242	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	307.1399
Annotation	NSC-224070
Peak:m/z	Relative Intensity
55.01754	2.1
57.03315	3.8
57.96831	1.3
58.00457	4.0
59.01250	77.3
69.24622	14.0
71.01250	54.7
72.99167	5.5
73.02812	3.0
83.01244	3.5
85.02814	19.3
85.06485	1.4
87.00753	2.2
88.03911	28.8
89.02313	36.3
95.01276	3.4
99.08028	6.9
101.02324	28.0
111.00784	1.7
113.02336	14.4
114.01849	3.1
115.00274	11.1
119.03397	16.2
119.04893	1.8
127.07542	16.1
127.30100	1.2
129.01891	1.5
132.02917	85.0
134.03624	13.6
145.07474	1.4
145.08597	22.9
149.05972	5.0
160.01634	2.2
161.02380	2.5
161.04471	1.3
175.03909	2.2
193.05106	1.3
208.48466	1.3
264.08813	1.4
307.13962	100.0
308.07672	5.3
308.14249	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	305.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83323	1.4
57.03316	2.5
58.59772	1.5
59.01245	10.0
59.17002	1.2
66.87663	1.2
71.04894	38.7
71.57959	2.7
80.02583	1.7
81.03345	2.8
93.03359	2.1
95.04897	19.0
98.20234	1.6
98.60466	1.3
107.04909	2.7
108.02067	1.6
109.06483	13.4
113.98634	1.3
119.04915	1.5
121.06483	4.2
122.03621	2.4
125.02340	3.4
125.09673	1.8
127.07603	2.1
135.07985	7.4
141.01582	3.3
147.04494	2.9
147.08058	3.7
148.19395	1.6
149.05972	1.9
150.06686	1.5
151.07538	2.1
161.05951	3.1
161.09528	1.5
165.09138	12.0
189.12769	12.5
190.13136	2.2
205.15942	9.8
233.11769	6.8
243.17540	11.7
249.14958	15.5
250.15335	1.8
263.16507	1.8
287.16525	73.1
288.16867	6.3
305.08279	3.3
305.17599	100.0
305.21124	5.4
306.17862	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	305.176
Annotation	Corrin
Peak:m/z	Relative Intensity
57.03313	2.4
58.02853	1.9
59.01253	5.9
59.28807	1.1
62.18152	1.3
64.93134	1.1
70.96953	3.5
71.04896	47.3
76.94955	1.2
80.02560	1.6
81.03333	2.9
83.04894	1.9
93.03350	2.2
95.04900	20.6
106.04150	3.0
107.04952	2.8
109.02849	2.5
109.06474	18.7
111.04405	1.8
119.04851	1.5
121.06479	6.3
123.08009	1.3
127.07593	2.5
135.08023	2.5
139.07518	1.8
147.04465	2.3
147.08075	5.4
148.65492	1.3
150.06772	1.9
161.06026	4.4
161.09700	1.4
164.08290	1.6
165.09117	15.1
180.33170	1.4
189.12804	16.6
190.13145	1.5
205.15932	11.5
231.13895	3.0
233.11768	11.6
243.17522	9.1
244.17967	1.7
245.15538	1.6
246.10867	1.3
249.14970	14.7
250.15295	1.8
261.18683	2.6
263.16675	1.4
269.15460	2.1
287.16531	89.5
288.16870	7.7
289.14627	1.7
293.19940	1.4
305.17603	100.0
305.21115	4.1
306.18088	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	305.176
Annotation	Corrin
Peak:m/z	Relative Intensity
52.82351	5.3
54.33805	4.9
57.03312	10.0
59.01245	10.4
67.56261	5.1
68.18063	4.5
71.01284	4.9
71.58353	4.8
72.99122	5.0
97.06453	9.6
99.04407	7.0
123.08075	9.0
125.09586	22.2
135.08051	80.0
153.31718	5.6
185.11749	23.1
209.11717	8.1
223.13329	9.3
243.17610	24.2
249.15021	9.4
261.18799	6.3
287.16577	35.2
305.17569	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	305.1143
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
51.09711	0.4
52.94765	0.4
57.03321	0.4
59.01257	4.7
65.99731	0.7
69.03354	0.6
69.67428	1.4
69.67860	1.9
71.01257	2.1
82.02858	4.5
85.02811	0.8
89.02325	1.2
92.04922	0.8
94.02859	2.1
96.04430	4.3
97.02833	0.7
98.19756	0.5
99.00765	0.5
99.52374	0.4
101.02325	1.0
110.05972	0.5
120.04448	0.9
121.02853	0.4
122.03635	5.4
122.06004	2.2
135.18419	0.4
136.03949	1.2
138.05504	100.0
139.05850	2.8
149.04744	0.8
150.05486	0.5
161.04659	0.6
162.32973	0.4
171.55893	0.5
174.05562	0.8
175.07573	1.0
188.07103	0.8
190.08679	1.2
202.08705	3.2
205.30827	0.4
216.10175	0.5
217.06058	1.3
218.06898	1.8
218.11841	1.7
233.09279	5.2
244.09773	1.2
245.09248	0.9
261.12433	7.1
262.12619	0.7
271.08493	0.5
287.10443	1.6
305.11432	9.3
306.11911	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65840	0.8
57.03309	0.9
59.01252	100.0
60.01590	1.5
69.41386	0.9
71.01234	5.6
71.58803	1.3
73.02827	2.3
73.85773	1.0
83.01241	2.4
85.02827	3.8
90.13487	0.8
95.01260	0.9
97.02875	0.8
99.00774	1.5
101.02328	5.6
102.17719	0.7
103.13567	0.9
109.02833	1.0
110.60865	0.8
113.02346	1.9
125.02329	7.0
130.05824	0.7
137.02341	2.7
139.03879	1.7
161.04482	2.7
165.01801	1.1
167.03482	1.7
179.03471	1.9
197.32109	0.9
219.06552	1.8
229.12268	1.0
263.15030	6.2
279.75842	0.9
305.06772	4.8
305.09796	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50869	0.5
57.03312	2.6
59.01252	2.4
61.65641	0.6
65.03841	3.1
69.03352	0.6
71.01301	0.7
71.04892	8.7
71.14638	0.7
71.14957	0.8
73.78952	0.5
79.05406	12.2
82.14358	0.7
83.04878	1.4
93.03345	2.0
94.04144	1.3
95.04902	2.5
97.06469	13.1
106.04123	8.6
107.04922	2.6
108.02013	0.6
109.06462	2.0
117.06977	2.3
119.04890	1.7
120.05714	5.4
121.06502	4.5
123.08046	5.7
123.76682	0.5
125.05981	0.9
125.09615	17.7
132.50793	0.7
133.06508	1.6
135.08054	100.0
136.08398	3.6
137.09602	1.9
151.11198	3.3
161.09715	0.6
162.06752	1.3
163.11182	1.6
177.12775	1.1
183.10277	1.0
185.11737	2.4
187.11224	0.6
189.12773	2.1
201.44719	0.5
205.15942	6.2
207.10187	1.7
209.11774	2.2
221.11786	1.2
231.13849	2.0
233.11780	1.2
235.13356	0.9
243.17609	1.4
249.14934	47.2
250.15300	3.5
261.18576	0.6
263.16452	2.1
269.15466	1.2
277.18073	7.5
287.16559	11.5
288.16812	1.1
305.17578	64.6
306.17947	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	305.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	8.0
59.01247	2.5
60.21609	1.2
63.67121	1.2
68.35555	1.3
70.06424	6.6
71.01273	1.7
71.11858	1.3
81.03310	2.6
83.01270	4.4
93.03340	3.2
95.04887	3.3
97.02856	4.3
107.61320	1.5
109.02838	15.1
111.04433	4.0
121.02835	2.0
122.01036	1.3
123.00783	5.9
124.01552	4.4
125.02342	100.0
126.02664	1.9
135.04443	2.2
137.02354	29.2
139.03925	23.1
145.66113	1.4
147.04300	1.8
149.05989	1.8
151.03908	3.3
161.02386	4.1
164.01099	6.9
164.14038	1.6
165.01845	19.9
166.02501	2.6
167.03427	23.4
173.06033	1.2
175.03902	3.2
175.07538	2.0
177.01823	1.8
177.05511	3.2
179.03407	18.3
191.07121	2.0
201.05548	2.2
203.03450	2.8
204.04222	3.4
218.05629	1.9
219.06573	14.3
219.08626	1.9
221.04514	8.3
237.07619	1.6
243.06737	1.9
261.07779	6.9
305.06656	42.0
306.07007	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	305.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30882	0.6
57.03317	10.4
59.01264	0.8
68.67032	0.5
69.03329	2.0
69.53760	0.5
70.11296	2.5
74.74607	0.5
78.65788	0.5
80.02535	0.8
81.03333	4.1
83.01264	6.3
83.04921	0.7
93.03322	3.3
95.01266	2.9
95.04902	3.4
97.02832	4.9
99.00793	0.6
99.04391	1.0
103.85457	0.5
107.04897	1.2
108.02065	0.7
109.02834	18.6
110.03187	1.1
111.00789	1.1
111.04385	3.3
111.15795	0.5
113.06010	0.8
121.02852	4.2
121.06432	0.6
123.00766	6.6
123.04408	1.5
124.01556	5.3
125.02334	100.0
126.02656	3.1
131.04977	0.5
133.02855	0.9
133.06483	0.8
135.04408	2.3
137.02341	30.5
137.05971	0.5
138.03040	1.6
139.00264	0.6
139.03909	22.7
147.04401	1.1
149.02402	1.0
149.05975	2.0
151.03911	3.1
155.03413	0.7
158.03523	0.5
159.04413	1.6
161.02377	3.6
161.06093	0.5
162.03050	0.8
163.07631	0.5
164.01053	7.4
165.01849	21.6
166.02435	1.6
167.03412	20.1
167.04849	0.5
168.03691	0.9
173.05971	0.7
175.03928	3.5
177.01860	2.3
177.05460	5.0
178.02643	0.6
179.03415	20.9
180.03900	0.8
181.05011	0.7
191.03487	0.7
191.07057	3.1
194.73799	0.5
201.05496	1.9
203.03381	3.3
204.04231	2.7
218.05748	0.7
219.06592	15.1
220.06859	1.2
221.04483	7.9
222.04851	0.6
227.03294	0.6
233.08180	0.7
237.07591	1.1
243.06566	1.4
247.02531	0.7
251.98575	0.6
261.07639	7.4
262.07819	0.6
263.05634	0.9
287.05511	1.3
305.06656	58.4
305.13895	3.9
306.07062	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	305.0666
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
57.03320	6.9
59.01260	9.0
64.29704	1.2
65.00202	3.0
65.03861	1.3
67.01752	2.1
67.47102	1.2
68.84976	1.0
69.03321	4.1
71.01263	3.6
81.03341	4.8
83.01247	12.8
83.04922	1.3
85.02834	1.4
85.06576	1.5
93.03349	4.5
95.01261	11.0
95.04919	4.9
96.95894	9.9
97.02839	11.9
98.19843	3.3
99.00764	18.3
99.04388	4.5
101.02349	1.3
107.01273	2.6
107.04933	1.2
108.02071	2.4
109.02840	39.3
110.03145	2.0
111.00762	30.7
111.01473	2.2
111.04432	2.2
113.02375	3.9
113.05963	1.6
121.02838	9.3
122.03703	1.3
123.00763	10.5
123.04410	15.9
124.01544	5.8
125.02342	62.5
126.02679	2.0
127.00324	1.5
127.03912	1.7
131.04971	2.1
133.02864	3.2
135.04474	6.0
137.02350	34.3
138.03145	2.8
139.00269	33.1
139.03900	10.7
140.01013	5.6
141.01854	9.0
143.04813	1.9
145.02893	2.8
147.04387	3.5
149.02325	10.3
149.05959	2.3
150.03059	1.5
151.00273	8.3
151.03928	9.2
153.01830	8.6
155.03419	2.0
158.03648	2.0
159.04446	9.2
161.02347	29.2
161.04468	1.3
161.06001	3.6
162.03113	8.9
163.00258	1.3
163.03867	6.6
164.01073	5.4
165.01860	13.8
165.05490	4.9
166.02582	1.8
166.99840	1.3
167.03423	11.6
170.48764	1.3
171.04376	2.0
171.46791	1.4
173.06015	3.9
175.00224	2.2
175.03920	8.4
177.01852	3.9
177.05484	10.0
178.99774	9.8
179.03391	4.4
180.03807	1.3
181.01309	1.8
181.04941	3.7
183.04387	1.3
187.03955	4.0
189.05559	2.6
191.03542	6.0
195.02885	4.5
199.04005	2.5
201.01836	2.1
201.05516	4.8
203.03415	8.6
204.04149	2.8
205.01447	1.8
205.05011	5.6
215.03450	2.9
215.07132	1.9
217.01428	1.4
217.04944	3.8
219.06551	11.2
221.04572	2.4
225.11227	3.2
231.03030	2.5
233.04526	3.5
237.07657	1.6
243.02962	4.3
243.06589	6.0
259.02469	3.4
259.06076	2.2
261.03973	3.2
261.07605	3.5
269.04547	2.3
277.03577	2.5
287.02063	5.2
287.05624	14.3
305.03040	22.4
305.06705	100.0
306.03668	2.5
306.07022	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	305.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75072	0.9
52.01179	1.0
57.03320	8.2
59.01247	2.1
69.03339	1.8
70.77826	3.7
81.03350	2.5
83.01258	5.0
93.03342	3.8
95.01247	3.1
95.04911	2.9
97.02849	5.1
109.02842	19.4
111.04390	2.0
111.90042	1.2
112.47887	0.9
121.02845	3.5
123.00754	6.8
123.04417	1.5
124.01534	4.2
125.02340	100.0
126.02674	2.8
133.06508	1.2
135.04385	1.3
137.02354	27.3
138.03183	1.7
139.03926	23.2
147.04283	1.1
149.05986	1.2
151.03909	2.6
159.04395	2.8
161.02382	3.1
164.01042	6.2
165.01857	21.1
166.02461	1.1
167.03429	22.5
173.05946	2.0
175.03903	2.2
177.01862	2.2
177.05502	4.4
179.03419	18.1
189.05441	1.4
189.30757	1.7
201.05499	2.3
203.03471	3.8
204.04193	2.6
219.06606	16.4
219.08533	2.1
221.04495	7.9
243.06723	1.8
247.16934	1.1
261.07700	7.6
288.48416	1.2
305.06671	55.7
305.24026	1.1
306.06985	4.8
306.10159	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36115	0.6
54.05910	0.6
57.03330	7.3
59.01235	4.5
63.47716	0.7
69.03322	1.4
70.35155	1.8
70.35567	1.1
71.01242	3.3
81.03324	3.4
83.01257	5.3
83.04910	0.7
85.02834	2.4
89.02311	3.3
93.03349	2.1
95.01259	2.1
95.04910	2.8
97.02827	3.4
101.02334	1.8
107.04915	1.0
109.02834	13.3
111.04406	2.7
113.02357	0.7
119.03403	0.7
119.04868	0.8
121.02833	2.5
123.00761	4.9
123.04399	1.6
124.01570	3.3
125.02337	100.0
126.02674	2.7
133.79649	0.6
135.04422	2.7
137.02342	28.6
138.03142	1.4
139.03914	21.5
147.04419	1.3
149.02406	1.0
149.05972	2.2
151.03929	2.2
159.04398	1.7
161.02274	2.9
162.03113	0.8
164.01080	6.7
165.01840	22.0
166.02560	1.2
167.03415	25.8
173.05971	1.5
175.03947	2.7
175.07585	0.7
176.04691	0.8
177.01846	1.5
177.05502	4.1
178.02681	1.4
179.03421	22.2
180.03833	0.8
181.05013	1.0
191.03436	0.7
191.07053	3.2
201.05525	1.4
203.03456	2.9
204.04182	3.6
215.06915	0.6
219.06563	18.2
220.07001	0.9
221.04526	8.4
233.08138	0.8
237.07697	1.2
243.06638	1.6
247.07465	0.7
261.07678	6.9
287.02420	0.7
287.05490	1.4
305.06668	56.1
305.14200	3.9
306.07028	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	305.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60304	1.4
57.03328	6.9
59.01241	2.0
60.60573	1.3
69.03334	3.1
71.01257	4.3
71.56818	1.4
71.68508	1.4
81.03311	3.8
83.01250	8.9
83.04891	2.2
85.02817	2.2
93.03325	5.1
95.01276	7.1
95.04922	4.0
97.02836	9.6
99.00752	18.5
99.04382	3.5
105.30303	1.5
109.02829	42.8
111.00761	26.1
111.04402	3.3
113.02323	2.4
121.02878	8.7
123.00761	11.1
123.04414	16.1
124.01530	5.4
125.02331	53.9
127.00268	1.8
130.77290	1.5
133.02849	5.2
135.04382	5.6
137.01396	2.2
137.02344	35.0
138.02872	1.2
139.00264	33.5
139.03915	14.1
140.00967	5.4
141.01811	10.3
145.02843	2.7
147.04388	2.6
149.02338	11.7
149.05919	2.3
151.03897	9.8
153.01816	5.0
159.04414	9.4
161.02341	35.1
161.05927	1.9
162.03134	10.3
163.03917	4.8
164.00990	5.1
165.01837	13.3
165.05428	6.9
166.02505	1.9
167.03415	15.1
173.05951	2.5
175.03964	6.9
177.01849	1.8
177.05455	10.5
179.03477	6.9
181.01213	2.1
181.04933	5.3
189.01711	1.4
189.05487	1.9
190.02632	3.3
191.03354	1.7
195.02913	2.8
201.05493	5.2
203.03407	8.3
204.04254	1.4
205.04967	5.3
207.25662	1.7
217.01312	2.4
217.04854	2.6
217.08661	1.9
218.02150	1.8
219.06548	14.6
221.04495	4.1
225.05537	2.1
231.02907	1.8
243.06540	8.1
245.00960	1.6
246.01643	1.5
249.03923	4.1
259.06009	5.3
261.04120	1.5
261.07742	3.6
269.04486	2.8
269.75366	1.5
273.00455	2.8
277.03519	6.2
277.06552	1.4
287.05624	16.0
305.03101	10.2
305.06604	100.0
306.03760	1.6
306.07034	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	304.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99077	0.4
58.02852	47.8
59.03188	0.6
60.28415	0.4
71.36000	1.1
85.62563	0.4
102.02655	0.4
126.52961	0.5
129.12256	0.4
134.86891	0.5
157.24571	0.5
168.13860	100.0
169.14194	4.8
212.12839	4.0
256.77893	0.4
304.19308	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10547	0.3
53.91407	0.4
58.26382	0.3
59.01246	1.7
66.13245	0.4
93.03345	0.4
117.03345	1.3
118.40569	0.3
118.60666	0.3
121.02847	1.2
125.01398	0.3
125.02331	1.3
132.02014	0.4
133.02849	8.7
139.03908	0.8
143.04550	0.4
145.02844	3.9
149.02353	2.9
161.02359	6.4
163.03944	0.8
165.01848	0.5
173.02382	2.5
177.01926	0.4
179.03397	0.8
188.01042	1.0
189.01848	15.0
189.57806	0.3
190.02237	0.6
200.01091	1.3
201.01758	0.7
216.00586	8.6
217.01366	19.0
218.01646	0.9
228.00566	1.7
229.53784	0.4
242.63400	0.4
244.00108	14.7
245.00870	31.1
246.01161	1.9
273.00394	100.0
274.00726	6.1
305.02975	2.7
305.06390	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0665
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
54.47888	0.7
57.03319	9.3
63.14594	0.7
67.85952	0.8
69.03333	1.4
69.42729	7.4
81.03335	4.4
83.01251	3.7
93.03345	3.2
95.01260	3.4
95.04906	5.1
97.02820	5.5
109.02840	18.0
111.04410	4.5
113.05956	0.8
121.02809	3.9
123.00745	6.3
123.04430	1.2
124.01566	5.5
124.71243	0.7
125.02335	100.0
126.02663	2.6
133.01347	1.7
133.06494	0.8
135.04401	1.6
137.02344	31.9
138.03044	2.5
139.03911	22.8
140.04201	1.1
149.02309	1.6
149.05991	3.2
151.03891	2.9
155.03423	1.1
159.04424	1.6
160.05183	0.8
161.02342	4.1
162.03026	1.1
163.03815	1.0
164.01064	8.2
165.01836	21.8
166.02528	1.7
166.94704	0.8
167.03419	21.1
168.03812	1.3
173.05937	1.0
175.03964	2.8
175.07553	0.8
176.04797	0.8
177.01929	1.8
177.05464	5.8
178.02756	1.1
179.01842	1.1
179.03415	20.6
181.04930	1.1
191.03433	0.8
191.07137	1.8
193.05168	0.8
196.99362	0.8
201.05467	1.6
203.03435	4.1
204.04190	2.4
218.05803	0.9
219.06577	15.3
221.04507	7.8
243.06512	1.4
245.01503	1.5
245.04015	1.0
261.07681	6.8
305.06665	49.6
306.06985	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	303.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	1.8
63.90988	0.3
69.03335	0.4
69.37122	0.4
71.60155	0.6
85.02820	2.0
93.36603	0.3
109.14328	0.3
123.04444	0.4
125.02304	1.1
135.04408	4.8
137.02298	1.4
143.04897	1.9
145.02824	0.5
146.03630	7.0
147.04420	3.5
149.06067	0.4
157.06456	0.6
159.04428	8.3
160.05072	1.1
161.04758	0.6
161.06003	10.2
162.06459	0.8
163.07497	0.6
165.01773	0.5
171.04445	8.0
172.05139	1.2
173.05969	1.3
174.03125	2.8
174.06815	2.5
175.03989	2.4
175.07562	26.2
176.07899	1.3
177.01874	0.5
177.09119	1.0
185.06032	2.5
186.06898	0.7
187.03938	2.0
187.07559	6.1
188.04677	1.9
189.05496	30.2
189.09105	4.5
190.05876	1.3
190.09898	1.1
197.06097	0.6
199.07603	2.4
199.09253	0.3
200.08417	2.5
200.58684	0.4
201.05464	1.1
201.09138	3.7
202.06151	0.4
202.09869	3.0
203.07074	13.8
203.10683	2.0
204.07837	7.0
205.05032	0.6
205.08362	0.5
207.06552	0.6
211.07510	0.5
213.09038	0.4
214.06241	2.1
215.07216	2.4
215.10689	4.3
216.07813	0.5
216.11006	0.5
217.08658	1.3
218.09462	4.7
229.08702	2.4
230.09445	49.2
231.09810	3.5
231.13771	1.8
241.12305	3.7
243.10217	6.2
244.10472	0.4
256.07437	0.9
259.13388	100.0
260.13736	7.5
274.08475	4.3
285.11295	9.2
286.11639	0.9
303.04898	0.7
303.09805	1.0
303.12454	15.6
303.21616	2.2
304.12921	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	1.6
67.16544	0.5
69.31731	3.6
69.32158	1.6
79.00452	0.5
85.02821	2.1
99.00744	0.9
109.02807	0.7
113.02362	0.7
122.03644	0.7
123.00730	1.0
123.04396	0.9
125.02319	0.6
135.04448	4.6
137.02345	0.9
139.00241	0.8
140.00700	0.5
141.00793	0.6
141.01843	9.6
143.04903	2.8
145.02806	0.5
146.03630	6.8
147.04475	4.0
151.07578	0.6
151.95619	0.4
157.06400	0.5
159.04425	8.6
160.05161	1.5
161.06006	9.3
162.06667	1.1
163.07553	0.5
171.04439	8.6
172.05051	0.7
173.05984	1.3
174.03163	3.5
174.06763	3.5
175.04022	2.4
175.07568	25.8
176.07918	1.7
177.09166	0.9
185.06039	2.8
185.09534	0.6
186.06815	0.7
187.03958	2.1
187.07590	5.7
188.04712	1.3
188.07878	0.5
189.05502	31.9
189.09090	4.7
190.05853	2.0
190.09798	1.7
197.06012	0.6
199.07576	2.7
200.08350	2.7
201.05528	1.3
201.09146	5.0
202.09946	3.3
203.07085	16.1
203.10669	1.6
204.07817	6.0
205.05013	0.7
211.07666	0.5
212.08397	0.5
213.09131	0.9
214.06331	3.5
215.07143	3.1
215.10725	4.3
217.08603	1.5
218.09486	3.8
229.08691	2.6
230.09441	53.1
231.09831	3.1
231.13887	2.0
241.12289	3.4
243.10239	7.2
244.10570	0.9
256.07578	1.4
256.89328	0.6
259.13382	100.0
260.13699	7.6
274.08435	4.5
275.08701	0.5
280.06018	0.6
282.53409	0.6
285.11322	9.7
303.12402	16.6
303.21848	1.9
304.12729	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43276	1.5
54.28070	1.8
55.01759	4.3
57.03320	6.0
58.36345	1.3
58.98323	1.3
59.01253	11.1
66.56963	1.4
67.01769	3.3
68.99689	2.4
69.03323	2.2
69.39560	12.0
69.39968	2.4
71.01246	4.1
81.03319	9.3
83.01258	6.8
85.02817	5.4
92.41376	1.4
93.03324	3.8
95.01285	3.3
95.04939	2.0
96.99203	2.7
97.02850	5.3
99.00758	17.2
99.04398	3.5
108.02053	3.2
109.02828	27.0
110.05994	3.3
111.00783	16.5
113.02350	2.2
117.03381	2.9
119.04909	2.4
121.02843	5.2
122.06004	3.2
123.00783	9.3
123.04393	4.7
124.01578	1.6
125.02340	100.0
126.02683	4.2
127.00269	5.1
127.07564	8.0
131.04950	2.1
133.02869	4.7
135.04410	4.3
137.02344	37.2
138.03143	7.3
139.00266	20.4
139.03955	4.3
140.01021	2.9
141.01840	59.2
142.02112	2.5
143.04977	1.9
144.04442	2.6
145.02841	2.4
145.06476	1.7
147.04402	9.1
149.02364	11.5
151.00330	2.7
151.03915	6.8
152.01079	5.7
153.01845	55.4
154.02324	1.4
159.04442	3.4
161.02359	27.1
161.05980	4.3
162.03076	2.2
162.05492	3.5
163.00262	2.8
163.03964	5.3
164.01045	4.2
165.01865	12.2
166.02686	7.9
167.03416	11.1
171.04410	4.2
171.06572	2.8
173.02333	3.6
173.06010	3.4
174.03163	8.2
175.03929	25.3
176.04384	2.3
177.01883	18.8
180.00546	5.5
181.01321	4.6
182.00269	1.5
185.06044	4.0
187.03954	4.6
188.04828	2.1
189.05482	7.3
191.03455	2.8
193.01369	2.7
193.04959	2.4
194.02081	1.5
197.06049	2.2
198.03111	1.6
199.03893	7.8
201.01936	6.3
201.05388	1.5
203.03484	7.4
205.04997	4.5
213.05507	5.6
215.03436	3.8
216.04343	3.3
217.05009	19.4
218.05334	2.4
225.11324	1.7
231.02948	4.2
231.06677	3.7
233.04497	2.3
235.06149	4.1
241.05019	8.0
243.12398	2.4
257.04620	8.8
259.06030	7.4
261.04129	2.4
275.05655	2.7
285.04065	21.3
285.12689	5.4
286.04483	2.5
303.05103	42.4
303.14450	10.6
304.05533	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	303.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.7
63.02262	2.6
65.00195	10.8
71.34708	0.6
76.91622	0.3
83.01254	5.0
93.03367	0.4
95.04929	1.6
95.82991	0.4
105.03345	1.1
107.01273	15.0
107.04882	1.4
121.02857	0.5
123.04414	1.5
125.02354	6.5
126.02611	0.3
133.02812	0.6
137.02391	0.4
145.41223	0.4
149.02330	0.5
150.03130	1.0
151.00284	72.5
151.03909	100.0
152.00618	2.3
152.04259	4.1
157.00450	0.3
165.01877	0.7
169.01331	1.9
175.03960	0.7
177.01857	2.0
199.03981	0.6
217.05058	0.5
241.05049	0.8
271.75104	0.3
285.04077	1.9
303.05093	11.2
303.08585	0.7
304.05399	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	8.0
59.01251	2.7
65.00188	6.6
68.48603	1.3
68.99688	2.1
69.03313	2.8
69.96400	1.4
71.01241	3.4
71.57597	1.9
73.01902	1.4
73.02794	4.9
79.01759	2.6
80.48576	1.3
81.03328	4.5
83.01244	4.6
93.03308	4.2
95.01268	10.7
97.02824	4.7
99.00745	24.0
107.01273	4.2
108.02065	1.8
109.02855	7.7
111.00734	11.2
117.03297	2.0
119.04898	9.0
121.02840	7.0
123.00761	16.7
123.04385	5.9
124.01575	3.4
125.02335	45.0
131.04898	3.6
133.02835	5.3
135.04440	3.3
136.98663	5.3
137.02319	5.7
139.00269	14.5
140.01041	3.1
141.01845	23.1
145.02882	2.2
145.06476	2.5
147.04442	3.8
149.02325	3.8
150.03192	1.7
151.00264	14.7
151.03902	10.1
152.01024	4.9
153.01837	11.5
157.06517	2.7
159.04370	3.1
161.05988	2.5
163.00288	11.8
163.03922	3.2
164.04805	1.8
164.07117	3.8
166.99744	6.2
167.04871	2.2
168.00552	5.1
169.01280	3.2
169.02753	1.5
171.04381	4.7
173.06003	2.3
175.03867	6.7
177.01852	10.3
178.99762	5.1
181.01331	8.3
185.05971	3.6
187.03873	3.0
189.05479	3.3
193.01321	2.6
195.04396	2.2
199.03908	6.2
199.13307	2.9
201.05496	3.6
203.03447	12.9
213.05501	7.8
215.03487	1.6
217.04977	17.2
229.05045	5.6
231.06551	3.8
235.08102	1.8
239.03468	2.0
241.05008	9.4
257.04596	7.1
259.06091	6.8
260.12692	1.7
267.02759	2.6
275.05606	19.0
285.04092	25.0
286.04465	2.4
297.79349	1.7
303.00842	4.6
303.05072	100.0
303.21634	4.0
304.05405	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	303.0513
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
57.03327	19.8
59.01248	2.9
60.03014	0.6
65.00209	3.2
67.01774	1.5
69.29967	0.7
71.60337	1.0
74.24960	0.6
77.11806	0.6
81.03328	0.9
83.01254	6.5
83.31406	0.7
85.02834	1.3
93.03322	1.1
95.01290	1.0
105.03382	0.8
107.01284	3.2
109.02855	3.7
111.00779	1.0
121.02876	3.2
122.03652	1.0
123.00791	3.0
123.04414	11.3
124.01572	2.1
125.02345	100.0
126.02668	3.5
133.02811	1.0
133.06470	0.7
137.02354	3.1
138.03114	1.3
139.03893	2.6
141.01808	1.0
143.04942	1.0
145.02856	0.9
145.06433	1.0
146.03627	1.1
147.04411	2.8
149.02376	7.7
150.03149	7.8
151.00284	9.2
151.03926	18.1
152.01071	4.0
152.04271	1.0
152.10214	0.7
153.01840	9.9
153.05507	0.7
161.02379	2.1
161.05995	1.1
165.05487	1.2
171.04427	2.4
172.05156	0.9
173.02483	0.9
173.05951	1.2
174.03157	4.1
175.03928	17.7
177.01860	19.0
178.99809	8.3
181.01375	2.1
187.03940	0.7
187.07648	0.8
188.04735	2.5
189.05443	3.9
193.05098	3.4
199.03938	10.0
199.13289	1.2
201.01825	3.5
213.05545	2.0
215.07066	1.8
216.04199	2.0
217.05052	11.3
219.02899	1.0
231.06738	1.6
241.05042	6.8
243.03087	1.5
257.04593	2.3
259.06094	4.8
275.05615	4.0
285.04065	56.1
286.04428	3.7
303.05099	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	301.166
Annotation	Viridamine
Peak:m/z	Relative Intensity
60.97390	0.9
69.79954	3.4
74.08782	0.5
74.98947	0.7
80.05156	0.6
82.97156	0.5
98.19876	0.8
110.59229	0.5
117.13850	0.5
118.96169	0.8
134.99310	5.9
136.97246	3.0
159.08394	1.3
161.06308	7.1
203.05553	2.7
205.03516	1.2
215.05553	1.2
217.07161	78.0
218.07326	4.7
235.08301	0.7
241.46947	0.6
241.93076	0.6
241.95537	0.5
278.31558	0.5
285.13474	33.9
286.13565	3.6
289.71222	0.6
296.20090	0.5
301.16605	100.0
302.16736	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	301.202
Annotation	Koninginin G
Peak:m/z	Relative Intensity
57.03324	3.3
63.02257	1.0
64.82164	0.7
65.00198	2.3
67.24724	0.7
71.40368	1.0
71.40695	0.8
82.96615	0.6
83.01266	1.6
83.04936	0.6
93.03316	1.5
95.01252	0.7
97.06457	1.0
99.08034	0.9
107.01289	4.0
109.02831	4.7
113.09603	1.4
121.02849	33.2
122.03152	1.1
123.00758	5.1
124.01597	1.0
125.02333	2.3
125.09614	2.6
133.02797	3.6
135.04401	5.0
136.01556	1.0
137.02341	2.4
138.03094	2.7
138.05464	1.0
139.03883	0.8
139.11208	0.8
140.86546	0.8
147.04396	1.5
148.01578	1.7
149.02359	22.6
150.02745	1.3
151.00290	9.9
151.03838	0.9
152.00729	0.8
153.05547	1.3
159.04465	0.9
161.02354	2.6
163.03978	0.8
164.04683	2.0
165.01822	0.7
169.01292	1.2
172.05307	0.9
178.99756	3.9
179.07135	4.4
179.53499	0.7
183.13744	1.3
185.06099	1.3
187.03926	1.4
187.09665	1.3
192.97740	0.8
199.04053	0.9
200.04677	2.1
209.06012	0.8
215.03445	1.4
217.07236	0.7
221.19089	30.5
222.19377	2.3
226.02560	1.2
227.03445	0.9
228.07808	0.8
229.08688	4.1
239.20131	2.9
243.02933	1.2
253.05077	2.5
255.02760	1.0
255.06731	1.1
256.03769	1.0
257.20975	1.5
259.06476	0.7
265.18076	17.0
266.18494	1.3
271.02487	3.4
271.06079	14.2
273.03970	1.7
283.19168	19.7
284.19421	1.7
286.04837	2.2
286.08447	10.6
300.99869	2.6
301.03525	14.3
301.07104	3.6
301.10852	13.7
301.14435	2.7
301.20200	100.0
302.03873	1.1
302.11163	2.1
302.20532	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	301.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.5
69.25873	6.4
84.42136	0.5
89.43990	0.6
109.02810	0.7
118.06525	4.1
131.03687	0.9
132.04408	0.7
137.02328	1.1
146.02380	0.8
147.03185	2.0
148.03938	1.8
149.02385	0.6
157.07664	1.3
160.03961	11.7
161.04733	100.0
162.05519	18.7
164.03447	6.9
175.00334	0.9
175.02670	7.3
176.03383	1.2
185.13722	0.5
190.01205	0.5
192.02943	13.4
193.03735	66.9
194.04115	3.7
195.70741	0.5
208.02466	0.6
219.07762	1.3
225.02715	0.6
228.10291	0.6
237.25517	0.6
240.10199	1.8
241.10492	0.8
253.06157	0.9
271.10870	26.9
272.11124	1.8
283.10880	88.3
284.11194	6.3
301.03546	3.9
301.11911	21.9
302.12302	1.6
302.20276	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18608	0.2
54.71916	0.2
56.79863	0.2
59.01244	0.8
63.02282	0.2
69.61224	1.6
89.02314	0.5
89.10973	0.2
91.03896	0.8
93.12037	0.2
97.06435	0.3
98.19814	0.5
98.20420	0.5
107.01273	0.4
111.08069	0.3
121.02853	0.3
151.00296	1.2
165.12769	3.9
178.99820	0.4
183.13834	100.0
184.14165	4.2
209.11755	1.7
224.44977	0.2
227.12840	4.2
228.13315	0.3
271.02484	1.7
286.04889	1.3
301.03543	1.8
301.07184	0.6
301.16589	6.8
301.19894	0.3
302.16965	0.4
303.20691	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91916	0.2
59.01245	0.8
64.88228	0.2
65.00185	0.7
69.94298	0.6
69.94702	0.9
83.01242	0.5
89.02332	0.3
91.03890	0.7
93.03339	0.2
107.01273	1.0
109.02795	0.3
111.08030	0.4
111.49693	0.3
121.02824	0.8
123.00758	0.3
135.04420	1.0
149.02365	0.4
151.00293	2.6
165.12773	3.7
178.99792	0.6
183.02898	0.4
183.13840	100.0
184.14174	5.5
194.25639	0.3
209.11765	2.1
227.12831	4.8
228.13135	0.4
271.02655	0.4
271.06085	0.3
286.05032	0.5
286.08408	0.3
301.00067	0.4
301.03552	3.4
301.07220	1.2
301.16547	6.3
301.19711	0.5
302.03824	0.3
302.17017	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1084
Annotation	3',4'-Dihydroxy-5,7-dimethoxyflavan
Peak:m/z	Relative Intensity
63.02315	1.4
64.99949	0.8
65.00275	2.6
65.03885	1.3
69.58509	6.3
78.21869	0.8
78.48615	0.7
83.01333	1.2
91.05499	2.6
92.53728	0.7
93.03428	2.2
95.01369	1.0
98.20526	1.4
107.01381	3.1
108.02163	2.1
109.02847	16.3
121.01996	2.6
121.02848	81.7
122.03278	2.0
123.00768	6.2
123.04527	2.4
124.01635	2.0
125.02422	2.0
126.90193	0.8
133.01868	2.2
133.02855	67.2
134.03242	1.5
135.04420	28.8
136.01637	2.2
136.04787	1.6
137.02345	31.2
138.03133	5.4
139.03981	1.3
145.02919	1.2
147.04448	6.7
148.01613	1.5
149.02351	69.1
150.02890	2.4
151.00272	8.2
152.04816	2.6
153.05518	5.4
159.04427	0.9
161.02354	4.9
163.04037	1.1
164.04691	8.9
167.03503	3.2
169.01390	1.3
178.99768	3.7
179.07072	16.2
180.07375	1.3
181.06615	1.0
183.04500	1.8
184.03809	2.7
185.06076	2.7
197.06108	1.5
199.03966	0.9
199.07608	2.2
201.05521	1.2
209.06059	2.6
211.03995	1.1
225.05513	5.2
227.03595	1.1
227.07176	4.0
235.04042	0.9
239.14076	0.9
243.02971	1.2
243.06636	1.4
253.05055	21.8
254.05635	1.7
255.02907	0.8
255.06659	3.4
256.03705	1.7
271.06122	89.3
272.06467	6.3
273.04007	0.8
285.07397	0.9
286.08475	100.0
287.08792	8.0
291.89453	0.9
294.78113	1.0
300.99954	3.2
301.03510	13.6
301.10806	67.7
302.03903	1.1
302.11172	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18922	1.1
65.98331	0.9
71.53659	0.9
83.75019	1.0
91.05414	3.0
93.03349	4.9
107.01218	1.5
108.02065	1.9
109.02847	19.5
119.04888	1.2
121.02852	88.8
122.03185	3.0
123.00764	4.5
123.04414	3.7
124.01556	1.9
125.02387	1.4
133.02859	84.5
134.03185	2.5
135.04434	36.2
136.01495	1.7
137.02351	36.2
138.03177	6.3
139.00249	1.3
145.02811	1.8
147.04443	7.0
149.02359	82.5
150.02736	3.0
151.00276	4.4
152.04668	3.9
153.05472	4.7
155.08740	1.0
161.02377	5.5
164.04683	9.2
167.03389	3.2
173.06099	1.3
179.07068	18.7
181.06400	1.5
183.04391	1.2
183.30283	1.0
184.03688	3.2
185.05992	1.8
197.06097	2.9
199.03853	1.4
199.07550	3.1
202.98203	1.3
209.06038	3.9
211.03963	1.5
212.04773	1.1
213.05614	1.1
225.05548	8.3
226.06131	1.1
227.07141	4.5
235.04007	1.2
253.05042	25.8
254.05482	2.6
255.06642	3.5
256.03693	2.2
271.06128	100.0
272.06470	6.6
278.10580	1.2
286.08487	97.0
287.08838	7.1
301.03757	6.3
301.10825	70.6
302.11194	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1082
Annotation	Isomucronulatol
Peak:m/z	Relative Intensity
52.38618	1.5
58.38509	1.1
63.02263	3.5
65.00198	6.1
69.43568	12.5
81.96265	1.4
83.01253	3.7
83.10098	1.1
93.03325	4.5
95.01246	3.0
98.19711	2.7
105.03353	1.5
107.01286	8.4
108.02086	6.0
109.02843	9.9
117.03358	1.7
121.02841	31.3
123.00773	9.0
123.04366	2.2
124.01575	9.7
125.02354	14.9
133.02869	6.9
135.04404	8.5
137.02322	4.3
138.03110	2.0
145.02853	6.6
146.03592	2.1
147.00859	1.4
147.04431	7.4
148.05217	2.2
149.02338	15.4
150.03142	16.4
151.00279	25.1
151.03870	3.6
152.00911	1.4
157.06425	2.2
159.04370	1.6
161.02341	3.9
163.00290	1.3
163.03889	6.6
164.04662	4.8
169.01392	2.1
171.08052	1.9
173.05991	1.7
178.99788	9.5
181.06413	2.7
182.07338	1.8
183.04475	2.6
183.13881	2.7
185.05887	3.1
187.03944	2.1
187.07555	3.0
196.05206	2.2
197.05949	4.7
199.03949	2.8
199.07581	3.5
200.04666	1.8
201.05431	4.9
203.07133	2.7
209.06042	5.1
210.06732	4.8
211.03885	3.0
211.07561	8.0
212.04747	4.8
213.05440	4.1
215.06982	1.9
225.05521	7.2
226.06183	1.8
227.03455	3.8
227.07079	16.8
228.04256	2.7
229.05017	3.6
237.05569	2.5
240.04208	4.4
242.05711	1.5
242.09474	3.7
243.06570	4.5
253.05092	13.3
253.72743	1.4
254.05687	8.2
255.06602	71.4
256.03729	27.9
256.06964	5.6
257.04242	3.3
269.04553	4.0
269.08179	7.0
270.05316	2.5
271.06116	100.0
272.06573	6.1
273.04031	3.5
285.07587	1.6
286.08469	96.2
287.08841	7.4
300.99829	4.9
301.03497	37.7
301.07211	4.6
301.10803	90.7
301.20197	2.0
302.03867	2.8
302.11176	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02026	1.0
63.57601	1.2
69.26360	13.6
83.01241	1.4
87.57832	1.0
91.05391	3.3
92.69889	1.1
93.03323	2.6
93.33216	1.1
98.19783	2.2
107.01246	1.9
108.02043	3.0
109.02850	17.0
121.02852	92.0
122.03177	1.7
123.00751	4.2
123.04420	3.3
124.01511	1.1
125.02282	1.9
133.02853	75.8
134.03171	2.5
135.04420	35.1
136.01550	1.8
137.02347	32.7
138.03207	6.2
139.00299	3.9
145.02835	1.9
147.04442	8.2
149.02353	71.5
150.02740	3.4
151.00287	4.2
152.04669	3.9
153.05466	4.5
154.02556	1.1
154.05812	1.1
161.02325	3.9
164.04697	12.3
165.44278	1.2
167.03381	4.1
178.99797	1.6
179.07062	17.3
183.04478	1.7
184.03641	3.3
185.06015	2.4
197.06010	2.4
199.07593	2.7
209.05989	4.4
211.03970	1.9
225.05496	7.0
227.07140	4.8
243.06773	1.6
253.05042	22.7
254.05621	2.4
255.06642	4.3
256.03802	2.1
271.06131	97.7
272.06482	8.5
286.03485	2.9
286.08481	100.0
287.08780	8.1
301.03546	7.2
301.10797	74.1
302.11108	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	301.0565
Annotation	fludiazepam
Peak:m/z	Relative Intensity
69.03323	3.4
70.35500	1.7
75.53272	0.4
81.03336	1.2
83.01267	1.6
95.01268	1.5
97.02834	3.1
100.56774	0.4
107.01272	1.2
122.46925	0.4
123.00761	4.8
124.00644	0.9
124.01558	19.0
125.02337	61.5
126.02671	1.6
138.03056	0.5
149.99490	32.6
150.74481	0.4
151.00273	3.0
167.03400	1.0
168.00557	80.6
169.01305	9.5
243.85936	0.6
283.04550	8.0
284.05103	0.8
301.05643	100.0
302.02942	0.7
302.06015	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0564
Annotation	fludiazepam
Peak:m/z	Relative Intensity
50.97877	0.6
57.20187	0.6
69.03327	4.5
70.75642	1.7
81.03338	1.2
83.01262	2.2
95.01264	1.1
97.02821	3.5
99.24377	0.7
107.01272	3.2
111.00797	0.7
113.95760	0.7
123.00763	10.0
124.01553	22.8
125.02337	78.7
126.02678	2.8
137.02336	0.8
138.03107	1.9
139.00288	0.7
139.03915	1.1
149.04422	4.4
149.99492	41.2
151.00311	4.3
161.60080	0.7
167.03450	1.5
168.00551	100.0
169.01326	17.9
270.68350	0.6
273.88345	0.7
283.04535	8.2
301.05637	99.8
302.05994	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	301.093
Annotation	Isotachioside
Peak:m/z	Relative Intensity
59.01245	0.9
64.77924	0.8
71.01248	5.0
71.19513	0.9
71.19850	1.8
73.02829	1.7
78.59980	0.9
79.21994	0.8
83.01269	0.9
85.02816	3.0
94.31519	0.8
94.35388	0.9
95.01282	6.3
101.02332	2.6
113.02329	2.8
121.02834	2.1
122.03585	0.9
123.00771	100.0
124.01686	6.3
125.02365	4.8
128.77666	0.8
136.08778	0.9
137.02339	2.8
138.03130	65.7
138.32019	0.8
139.00270	2.7
139.03934	11.7
149.02409	2.7
151.03934	1.3
153.34579	0.9
161.04483	2.8
163.03867	0.9
166.02516	1.0
169.01358	5.6
181.04945	5.1
193.05020	2.4
301.05850	1.9
301.09164	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.108
Annotation	Diffutidin
Peak:m/z	Relative Intensity
59.01248	0.5
60.19455	0.3
65.00222	0.3
65.03826	1.3
67.01753	1.1
69.34035	2.9
78.95766	1.7
96.39630	0.3
98.20177	1.6
107.01244	0.5
109.02832	5.4
123.00764	0.7
133.02835	0.8
137.02341	100.0
138.02667	2.9
145.02861	0.8
151.00281	1.2
163.03915	0.5
173.02351	0.5
175.00331	0.6
178.99788	0.6
185.02301	0.8
191.03485	0.5
195.08908	0.3
201.01799	0.6
229.01350	0.7
245.00851	0.6
268.07254	0.4
283.99582	0.7
285.13544	0.4
298.91376	0.3
299.99124	0.8
300.99924	16.4
301.03424	2.2
301.10815	12.8
301.16364	0.7
301.23901	0.4
302.00262	1.6
302.11172	0.9
306.68692	0.4
313.66455	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.7
63.02267	7.2
65.00199	14.7
69.39900	4.0
75.32488	0.4
83.01258	8.9
89.03856	0.4
93.03334	3.7
95.01258	1.0
107.01273	20.6
108.02089	0.7
109.02829	4.7
111.00751	1.2
119.01260	0.8
120.02026	0.4
121.02845	19.4
122.03214	0.5
123.00803	1.6
124.01501	0.7
125.02351	1.3
133.02852	6.5
135.04407	2.0
136.07614	0.7
137.02341	3.4
138.03047	0.5
139.00275	1.1
139.03923	2.8
147.00792	0.9
147.04445	1.2
148.01523	0.8
149.02351	8.4
151.00279	56.0
152.00648	1.7
159.04454	1.3
161.02351	1.4
163.00307	2.2
163.03920	1.3
164.01097	1.5
164.98100	0.4
165.01830	4.3
165.69386	0.4
166.99661	0.4
167.04901	0.5
169.01331	3.8
171.04463	0.7
173.06100	0.4
175.03944	1.1
177.01828	1.4
178.02304	0.4
178.99788	18.5
180.00220	0.6
183.04385	0.9
183.13828	1.0
185.02400	0.4
185.05995	0.8
187.03949	1.6
189.01744	0.6
190.26071	0.4
190.99728	0.5
191.03386	0.4
192.00598	1.2
193.01384	1.6
199.03906	0.4
201.05472	1.1
203.03418	0.7
205.05016	0.8
211.03969	1.8
212.04587	0.4
213.01929	0.6
215.03378	0.9
217.04999	0.5
227.03479	1.7
229.05153	2.2
230.02190	0.5
231.02893	0.5
233.04509	0.9
239.03354	1.1
240.04291	0.7
242.02271	0.5
243.03043	0.9
245.04631	1.9
254.05785	0.5
255.03015	3.7
255.06607	1.8
256.03802	1.1
257.04504	3.9
257.12979	1.0
271.02869	0.5
271.06161	3.5
273.04031	3.4
283.02505	3.0
284.03290	0.7
286.05380	0.5
286.08450	2.8
299.01752	0.7
301.03528	100.0
301.20212	1.1
302.03867	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81663	0.2
63.02266	1.7
65.00192	4.3
77.03857	0.3
80.26099	0.2
83.01264	2.2
93.03326	1.1
105.03330	1.1
107.01266	6.2
108.01540	0.3
109.02847	1.2
117.03358	0.4
119.04883	0.3
121.02842	3.8
123.00790	0.4
123.47478	0.2
125.02320	0.5
129.37323	0.2
130.25932	0.3
135.04358	0.4
139.03864	0.3
143.04968	0.3
145.02832	0.3
147.04413	0.3
149.02344	28.7
150.02702	1.0
151.00276	14.8
152.00613	0.4
159.04385	0.8
161.02339	0.4
163.00323	0.4
163.03854	0.2
164.01097	0.3
167.04865	0.3
169.01331	0.8
171.04390	0.4
173.02325	0.3
173.05989	0.5
175.04008	0.3
177.01816	0.4
178.99770	2.8
183.04411	1.0
185.02417	0.4
185.05791	0.3
187.03925	1.0
189.05466	0.4
191.03426	3.9
199.03870	0.4
201.05516	0.7
209.11794	1.1
211.03934	1.1
212.04622	0.4
213.01799	0.3
213.05539	0.4
214.02724	0.5
215.03445	2.5
217.01343	0.5
217.04987	0.6
227.03464	1.9
229.01270	0.4
229.04988	0.6
229.62666	0.3
231.02983	0.3
233.04489	1.5
239.03439	1.3
240.04010	0.3
245.04517	1.1
255.02957	2.2
257.04535	1.0
259.02383	0.5
271.05893	0.5
273.03976	1.1
283.02417	0.8
300.02493	0.3
301.03510	100.0
302.03842	7.9
307.02777	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01223	2.4
63.02277	8.2
65.00194	21.9
71.59087	1.5
74.26968	0.9
83.01254	14.4
93.03336	11.8
95.01273	3.1
107.01271	32.3
109.02867	5.2
111.00744	2.4
112.99218	1.0
117.03337	1.4
118.06519	1.1
119.01317	1.0
119.04851	1.4
121.02846	20.8
123.00715	2.0
124.01546	2.3
125.02340	5.3
132.04482	1.4
133.05196	1.0
135.00742	1.1
135.04401	2.3
137.02362	1.8
139.03870	2.8
145.02870	1.3
147.04291	1.4
149.02348	3.7
151.00270	71.3
152.00963	4.5
159.04442	2.7
161.02361	2.3
161.04710	7.8
162.05508	3.4
163.00281	5.4
163.03917	2.8
164.01047	1.9
165.04245	1.4
169.01338	8.7
171.04434	1.3
178.99779	25.4
180.00131	1.6
183.04411	1.9
185.05972	1.3
187.03999	2.0
192.00583	1.2
193.03723	4.1
198.43129	1.0
199.03957	1.2
201.05486	3.3
206.99307	3.5
208.00072	3.2
227.03395	2.2
228.03790	1.4
229.04976	4.1
241.06117	2.2
245.04495	12.3
255.03134	2.2
255.06584	1.1
256.03482	2.6
257.04514	4.5
257.12912	2.7
271.06195	1.4
271.10840	3.0
272.02734	1.8
273.04053	18.8
283.02472	1.4
283.10822	3.8
301.00021	4.0
301.03497	100.0
301.11902	18.8
301.20135	1.9
302.03802	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	301.0345
Annotation	Quercetin
Peak:m/z	Relative Intensity
50.27172	0.3
53.38697	0.4
53.93612	0.3
63.02267	3.9
65.00198	8.3
65.46003	0.4
69.41373	2.6
69.41795	1.4
73.46837	0.4
79.56977	0.4
83.01258	4.6
90.72137	0.4
93.03337	2.3
95.01218	0.5
98.19808	0.6
100.49152	0.4
107.01276	13.2
108.02063	0.4
109.02838	5.9
119.01298	0.6
121.02850	12.6
124.01513	0.4
125.02325	0.7
131.04970	0.5
132.01505	0.4
133.02792	0.4
135.00768	0.7
139.03925	0.9
142.76387	0.4
146.03604	0.6
147.00763	0.5
147.04497	0.4
148.01610	0.4
149.02339	1.7
151.00282	41.7
152.00673	1.3
156.44049	0.4
159.04417	1.3
161.02348	0.8
163.00293	3.7
163.03876	0.6
164.01036	1.2
167.04915	0.5
169.01341	3.4
174.03091	0.6
175.03908	0.8
178.99786	19.0
180.00145	0.5
183.04420	1.4
183.30228	0.4
185.06070	0.5
187.03862	0.8
190.99669	0.5
192.00552	0.9
193.01352	0.9
201.05534	0.9
203.03400	0.6
205.42468	0.4
211.03886	1.3
227.03336	1.9
229.05026	1.6
239.03380	0.6
243.02975	0.7
245.04517	3.0
255.02950	3.6
256.03421	0.7
257.04568	1.1
265.05536	0.4
272.02777	0.9
273.04120	3.0
283.02515	1.7
301.03516	100.0
302.03860	7.8
311.11050	0.5
324.68735	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.7
59.01246	2.6
63.02267	3.6
65.00195	5.2
65.03812	0.4
67.01767	0.7
68.99694	0.7
69.00053	0.5
69.33622	4.9
71.01267	0.7
77.03822	0.7
81.03338	0.6
82.19156	0.5
83.01260	3.5
91.01772	0.5
93.03347	3.0
95.01265	2.0
97.02787	0.4
98.96118	0.4
99.00780	0.5
107.01270	7.5
108.02050	1.6
108.04408	1.1
109.02840	9.8
109.06446	0.6
111.00764	3.6
116.96986	0.4
119.01276	2.0
119.04911	0.7
121.02843	13.0
122.03217	0.4
123.00764	4.4
124.01518	0.6
124.07520	0.7
124.98666	0.5
125.02345	4.0
131.63101	0.5
132.02080	1.1
133.02849	21.3
134.03165	1.0
135.00735	0.5
135.04417	5.6
136.01549	0.8
136.07547	2.1
136.98738	0.9
137.02345	11.0
138.03076	1.6
139.00267	4.0
139.03900	0.9
143.04915	0.6
145.02827	1.0
147.00824	2.6
147.04390	3.4
148.01518	1.5
149.02351	20.0
149.20497	0.4
150.03149	1.2
151.00275	19.5
151.03880	0.5
152.00641	0.9
153.05486	1.6
157.06491	0.6
159.04367	2.2
161.02382	2.7
161.05952	0.5
163.00278	3.5
163.03903	1.8
164.01086	1.0
164.04605	0.7
164.98175	1.0
165.01837	11.4
166.02222	0.6
166.99768	1.8
167.05006	0.6
169.01315	1.8
171.04430	1.1
173.02296	0.5
173.05956	0.7
175.03885	1.6
176.01067	1.1
177.01843	2.0
178.99806	4.7
179.07040	1.1
183.04442	1.1
183.13829	3.5
184.00522	0.4
185.05998	1.4
187.03954	2.8
189.01869	1.2
189.05495	0.5
190.99796	1.7
191.03421	1.2
192.00584	2.0
193.01402	2.4
197.05887	0.5
198.03148	0.4
199.03926	1.2
199.07619	0.5
201.01884	1.4
201.05566	2.1
203.03406	1.5
209.06006	0.6
210.06761	0.8
211.03969	3.4
211.13266	2.3
212.04558	0.7
213.05475	2.2
214.02608	0.7
215.03481	3.4
217.04831	0.5
225.05496	1.1
227.03490	3.9
227.07076	1.6
228.04166	0.8
229.05035	3.4
231.02881	1.0
233.04446	1.5
239.03511	2.0
240.04085	0.9
242.02338	0.5
243.02974	1.1
243.06631	0.5
245.04446	1.9
253.04997	2.7
254.05850	1.4
255.02950	9.4
255.06613	5.6
256.03674	3.5
256.06812	0.6
257.04556	7.4
257.12878	4.4
258.05179	0.8
259.02615	0.9
269.08185	1.0
271.02493	1.4
271.06119	16.1
272.03149	0.5
272.06509	1.3
273.03961	2.9
273.07053	0.6
283.02472	8.0
284.03070	1.5
286.08429	12.3
287.08835	1.1
301.03516	100.0
301.10690	14.3
301.20004	2.1
302.03851	8.0
302.11108	1.3
321.45560	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.3
63.02267	4.3
64.02592	0.2
65.00191	8.2
67.36312	0.2
70.35786	0.2
70.77038	0.5
70.77411	0.5
74.02328	0.6
79.01783	0.2
81.03327	0.2
83.01261	4.9
91.01746	0.6
93.03339	2.9
95.01270	0.6
98.02352	0.2
107.01270	13.0
108.02119	0.3
108.99175	0.2
109.01583	0.8
109.02832	5.7
110.02371	0.7
110.03120	0.2
111.00769	0.3
112.72002	0.2
114.01859	0.2
115.05347	0.2
116.04961	0.3
117.03362	1.5
119.01253	0.8
119.04908	0.5
120.02115	0.3
121.02838	11.0
122.03191	0.5
123.00781	0.3
123.04427	0.2
124.01540	0.4
125.02348	0.4
128.03380	0.2
129.03386	1.2
132.02043	0.3
133.02866	1.2
135.00786	0.6
135.04430	0.3
137.02405	0.5
139.03925	1.5
141.03365	0.3
143.04939	0.4
145.02850	3.9
145.06476	0.3
146.03636	0.3
147.00790	0.5
147.04427	1.1
148.01596	0.6
149.02325	1.9
151.00269	33.2
152.00696	0.9
155.04918	0.2
157.02892	1.8
159.04407	1.0
161.02367	1.6
161.05959	0.3
163.00311	3.3
163.03891	1.7
164.01146	1.0
165.01894	0.3
167.04951	0.5
169.01320	3.8
169.02765	0.4
171.00862	0.4
171.04370	0.4
172.01543	0.5
172.05185	0.2
173.02380	3.9
173.05853	0.3
173.07124	0.5
174.02887	0.4
175.00276	0.4
175.03925	1.3
178.99782	12.9
180.00154	0.4
183.04407	0.8
184.01572	0.6
184.29004	0.2
185.02357	5.2
185.05930	0.5
186.02747	0.3
187.03839	1.1
189.01852	1.5
189.05424	0.4
190.99767	0.3
191.03381	0.6
192.00569	0.5
193.01326	0.8
198.03157	0.2
199.00323	0.7
199.03920	0.7
200.01083	0.8
200.04492	0.3
201.01866	3.9
201.05505	1.3
203.03430	0.7
205.05016	0.5
211.03926	1.7
212.01053	0.4
212.04550	0.4
213.01871	1.0
213.05527	0.4
214.67879	0.2
214.99789	0.2
215.03297	0.6
216.00841	0.5
217.01331	1.3
226.99925	1.2
227.03487	1.9
228.00491	1.0
228.03973	0.5
229.01369	6.7
229.04875	1.4
230.01892	0.5
239.03519	0.6
240.00606	0.3
240.04271	0.2
243.02916	0.9
244.00107	0.7
244.03348	0.4
245.00873	3.2
245.04474	2.7
254.99266	0.5
255.02974	3.4
255.99998	0.3
256.03555	0.9
257.00888	2.9
257.04398	0.8
271.02539	1.0
272.00250	0.2
272.02795	1.2
273.00705	0.4
273.03973	2.2
282.99249	0.4
283.02490	1.5
283.07181	0.3
283.99631	6.6
284.02863	0.5
284.10251	0.2
285.00092	0.4
295.05756	0.2
299.99121	5.7
300.99890	100.0
301.03479	52.8
302.00223	7.7
302.03821	3.4
302.11322	0.5
313.19974	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0264
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
71.57810	7.0
77.79385	4.4
89.41939	4.7
89.46835	4.0
117.00340	17.2
134.91260	5.1
159.01416	77.3
181.99701	4.8
189.15688	5.1
201.02409	15.3
301.02725	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	301.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.1
59.01249	2.5
61.22694	0.8
63.02274	8.2
65.00198	21.1
67.01752	0.9
69.50431	4.3
69.50838	2.2
71.01218	1.0
73.02820	1.3
76.87512	0.8
81.03299	0.8
83.01255	13.8
87.92612	0.8
89.93369	0.8
93.03340	19.1
95.01263	4.8
96.37244	0.8
97.02811	2.0
107.01270	30.2
109.02853	6.8
111.00799	3.1
112.71211	0.9
117.03338	3.1
119.04899	1.8
121.02851	22.4
123.00768	2.9
124.01554	3.3
125.02339	5.7
130.04131	0.8
133.02795	1.1
135.00783	1.7
135.04384	2.7
136.01550	0.8
137.02359	8.2
139.00261	2.0
139.03900	1.7
143.04858	1.3
145.02849	2.6
149.02376	3.4
151.00278	70.5
152.01115	6.6
153.01840	2.4
155.04915	1.6
157.06468	1.1
159.04437	2.2
161.02345	3.2
163.00287	7.3
163.03882	2.7
164.00978	1.7
165.01860	25.1
166.02168	1.0
169.01331	7.5
171.04437	1.3
176.83879	0.9
177.05544	1.0
178.99794	27.8
179.99988	1.2
183.04422	3.1
187.03889	4.3
199.03911	2.2
201.05563	4.5
205.04944	1.3
206.99309	5.3
208.00053	3.5
211.03947	3.6
213.05414	1.7
215.03514	1.5
217.05063	1.1
227.03381	2.4
229.04985	4.9
239.03433	1.5
243.03021	1.5
245.04539	14.8
255.02969	6.0
255.06505	2.5
256.03552	1.8
257.04556	9.2
258.04984	1.4
270.09076	1.5
271.06082	1.2
272.02890	1.3
273.04053	18.7
273.07556	2.5
274.04526	1.2
283.02560	2.2
286.08386	1.2
301.03513	100.0
302.04001	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	300.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	1.7
68.01278	0.9
69.51466	1.8
69.51890	1.1
71.01260	1.1
72.99160	0.3
89.02325	1.0
90.54444	0.3
93.03344	1.5
94.03658	0.9
95.04868	0.5
101.02334	0.5
108.02084	0.3
119.03359	0.5
119.33296	0.3
122.02358	0.8
123.03153	12.1
136.03993	0.4
137.02361	1.4
137.04732	1.2
138.05508	100.0
139.05867	3.2
152.07124	0.7
160.49922	0.3
161.53320	0.3
165.04277	0.9
167.05823	0.7
168.29948	0.3
180.06567	1.9
186.88902	0.4
300.08401	0.4
300.10886	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	300.999
Annotation	Ellagic acid
Peak:m/z	Relative Intensity
62.57845	0.1
69.24522	1.6
74.02341	0.1
101.03873	0.2
117.03341	1.3
119.04923	0.2
121.02819	0.1
125.02467	0.2
129.03345	1.2
130.08658	0.2
133.02887	0.9
141.03395	0.2
142.18767	0.2
145.02870	4.2
147.00833	0.1
147.04469	0.8
151.00301	0.2
157.02859	1.9
159.00703	0.2
160.01564	0.2
161.02338	0.7
163.03841	0.9
171.00774	0.4
172.01549	0.4
173.02350	3.9
173.03833	0.2
173.07277	0.2
174.02658	0.4
175.00293	0.4
183.57294	0.2
184.01605	0.5
185.02379	4.9
186.02661	0.2
189.01839	1.3
191.03395	0.4
199.00308	0.9
200.01085	1.2
201.01857	5.0
202.02226	0.2
209.34506	0.1
213.01920	0.4
216.00677	1.0
217.01372	1.4
226.99815	1.5
228.00525	0.9
229.01363	6.2
230.01752	0.4
240.00662	0.2
244.00119	0.6
245.00896	3.5
246.01353	0.2
254.99300	0.5
256.00183	0.3
257.00876	2.6
271.99579	0.2
273.00452	0.6
282.98932	0.2
283.99631	6.5
285.00092	0.4
299.99091	5.7
300.99884	100.0
302.00220	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	300.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00224	0.5
50.32531	0.2
51.27242	0.2
59.01250	1.9
68.01284	3.0
69.57178	1.8
70.02879	0.3
71.01262	1.8
79.71088	0.2
82.07578	0.2
88.03914	6.1
95.04904	0.5
96.04433	0.6
98.19759	0.2
108.02082	0.3
109.01556	0.3
110.02451	0.3
110.05983	0.3
113.02379	0.2
114.01862	0.7
115.00271	1.9
119.83154	0.2
121.02852	0.4
122.02360	0.9
122.06036	0.3
123.00816	0.3
123.02249	0.3
123.03149	6.2
123.04456	0.6
124.03951	0.7
124.07589	0.9
125.02274	0.3
127.97366	0.2
132.02927	10.4
132.04434	0.4
136.03928	0.3
136.07553	0.7
137.04752	1.3
138.05508	100.0
139.03915	0.3
139.05870	2.9
149.02347	0.9
150.05495	0.5
152.03415	0.3
152.07071	1.7
166.05008	0.7
166.08676	0.7
167.05824	2.0
168.06584	0.7
169.01305	0.3
171.07637	0.2
174.04128	0.2
180.06580	5.3
210.07661	0.7
231.80685	0.2
240.08748	0.4
250.07195	1.1
300.02548	0.3
300.07474	0.7
300.10867	11.1
301.11157	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83718	0.3
59.01252	5.1
69.34361	3.4
70.52577	0.3
74.11998	0.3
86.80077	0.3
98.19750	0.4
98.20288	1.5
109.02871	0.4
115.28709	0.3
123.00829	0.6
127.83784	0.4
133.02899	0.4
145.02924	0.7
161.02458	0.4
169.06589	1.2
171.04417	2.2
173.05972	3.2
174.99152	1.9
179.99174	0.3
181.06526	0.4
182.03706	0.4
183.04518	1.2
185.06094	0.6
195.04546	0.9
196.05258	0.9
197.06024	7.7
199.03958	4.8
201.05560	1.1
207.04527	0.4
211.04192	0.4
213.05550	3.1
217.00252	6.4
217.02341	0.4
223.04050	1.1
224.04834	0.6
225.05519	3.5
226.02599	1.3
227.03468	1.6
228.04025	0.5
240.04266	0.7
241.05022	18.2
242.05437	0.9
251.03448	1.3
254.02200	1.8
255.06630	1.3
256.03601	0.7
268.03781	1.0
269.04550	100.0
270.04852	6.3
283.05911	1.9
284.06891	52.2
285.07211	3.6
299.05750	1.4
299.09232	31.0
299.25925	0.7
300.09579	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	299.0928
Annotation	Methylsainfuran
Peak:m/z	Relative Intensity
53.60819	0.2
59.01274	0.4
76.18665	0.3
87.04407	0.3
95.01266	2.4
98.99756	0.3
109.02918	0.7
109.69787	0.2
121.02925	0.4
123.00767	6.0
123.04484	0.4
133.02844	5.6
135.00813	0.6
137.02406	0.4
141.07089	0.6
143.04988	0.6
145.02858	3.4
145.03920	0.3
147.00830	0.5
147.04556	0.3
149.39580	0.2
153.01863	0.4
155.04951	0.3
156.82776	0.3
157.06435	0.5
159.04485	0.4
161.02325	0.4
167.04955	0.5
169.06514	1.6
171.04510	1.6
173.06064	0.5
175.03908	0.4
180.05891	0.3
181.06583	0.3
182.03609	0.3
183.04497	0.9
185.06018	2.9
186.03200	0.2
195.04501	1.1
196.05270	0.9
197.05988	3.3
197.85411	0.3
198.03189	0.9
199.03960	2.1
200.04633	0.4
201.05534	1.6
210.03087	0.3
211.03957	0.7
212.04770	0.6
213.05522	7.6
214.05960	0.4
223.03934	1.1
224.04776	0.8
225.05531	4.3
226.02652	0.9
227.03398	1.4
229.81841	0.3
239.03528	0.3
239.07080	0.3
240.04263	1.0
241.05028	14.8
242.05388	0.8
251.03532	1.2
252.04285	0.4
253.05034	0.4
254.02168	2.2
255.02942	0.6
256.07474	0.3
268.03699	0.9
269.04547	100.0
270.04886	6.8
271.02545	1.7
283.06195	0.6
284.03625	2.7
284.06885	51.9
285.07211	3.9
299.01965	1.4
299.05646	3.3
299.09189	25.6
299.25745	0.3
300.02628	0.5
300.06149	0.4
300.09500	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	299.0927
Annotation	Sophoracarpan A
Peak:m/z	Relative Intensity
51.84430	0.2
58.01188	0.2
59.01280	0.8
61.05525	0.2
67.01781	0.2
70.97796	0.3
70.98120	0.3
93.38482	0.2
95.01260	3.9
105.85963	0.2
109.02891	0.6
117.03372	0.4
119.01319	0.3
121.02900	0.5
123.00771	9.4
123.04443	0.2
124.01112	0.2
133.02858	5.6
134.03185	0.3
135.00781	0.3
141.07051	0.7
143.05022	0.6
145.02850	4.9
145.03885	0.3
145.06512	0.4
147.00835	0.7
157.06531	0.6
159.04460	0.3
162.03078	0.2
163.08504	0.2
167.04967	0.7
168.26382	0.2
169.06519	1.7
171.04453	1.6
173.05965	0.3
174.99182	0.2
175.03876	0.2
181.06480	0.5
182.03691	0.7
183.04482	1.0
185.05997	2.9
195.04398	1.0
196.05177	0.7
197.06017	3.3
198.03177	0.7
198.06236	0.2
199.03966	2.2
200.04436	0.3
201.05486	2.0
210.03145	0.3
211.03969	0.5
212.04680	0.6
213.05522	9.7
213.07567	0.5
214.05954	0.6
215.03705	0.2
217.00311	1.1
223.03912	1.1
224.04753	0.8
225.05537	3.9
226.02672	0.7
226.05888	0.3
227.03429	0.8
239.03557	0.3
240.04216	0.8
241.05025	15.8
242.05391	0.8
251.03510	1.0
252.04260	0.3
253.05055	0.4
254.02203	1.9
254.04782	0.3
255.02745	0.3
256.07446	0.2
266.05658	0.2
267.06500	0.3
268.03656	0.8
269.04544	100.0
270.04910	7.5
271.02481	0.6
283.06116	0.9
284.06891	49.0
285.07233	3.7
299.02512	1.0
299.09232	28.5
300.06189	0.4
300.09558	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	299.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31668	0.4
59.01155	1.9
59.01432	0.8
63.02179	3.7
65.00106	2.9
83.01197	0.8
91.01706	0.5
95.01157	5.1
107.01274	2.9
109.02808	3.8
115.05355	0.6
119.01220	0.9
121.02741	0.9
123.00774	11.0
125.09480	0.6
129.22385	0.5
133.02858	10.4
134.03171	0.6
135.00676	1.6
138.05478	0.9
141.06952	0.6
143.04945	3.9
145.02856	7.5
145.06404	0.8
147.00656	0.7
147.04361	1.7
151.00172	1.5
154.59656	0.5
155.04848	1.6
157.02853	3.8
157.06384	0.6
161.02249	0.9
161.06000	0.6
162.03075	0.6
167.04912	0.7
169.02765	0.9
169.06421	1.0
170.03593	0.6
171.03006	0.6
171.04417	8.7
172.04781	0.7
173.02338	3.2
173.05901	0.8
174.99065	1.1
175.03906	3.7
181.06462	1.0
182.03661	1.0
183.04367	1.7
185.02257	2.3
185.06027	3.1
187.03928	3.2
187.83931	0.5
189.05338	0.7
195.04388	1.6
196.05139	0.7
197.02377	2.9
197.06023	2.9
198.03137	2.9
199.02165	0.9
199.03940	15.1
200.04135	0.8
201.01831	3.6
201.05403	1.8
202.02232	0.6
203.03430	1.0
207.04355	0.7
211.03888	1.1
212.04691	0.7
213.01894	5.7
213.05492	8.8
214.05710	0.6
215.03430	5.7
217.00220	2.5
223.03862	1.1
224.04594	0.9
225.01802	1.3
225.05496	3.4
226.02687	3.8
227.03433	6.5
239.03560	0.6
240.04190	0.9
241.01343	8.7
241.04993	15.3
242.02061	2.4
242.05339	1.2
243.02982	6.4
251.03423	1.1
254.02278	1.2
255.02893	1.7
256.03680	0.6
269.00980	21.9
269.04544	100.0
270.01523	3.0
270.04861	6.5
271.02478	69.0
272.02850	5.6
282.01794	0.7
283.02469	0.6
283.06079	1.1
284.03375	6.4
284.06879	48.4
285.03894	1.6
285.07239	3.7
298.01352	0.8
299.02014	81.7
299.05627	8.4
299.09085	29.3
299.18658	1.3
300.02374	7.2
300.06097	1.4
300.09277	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	299.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.5
70.55775	0.8
71.01248	3.1
71.12023	1.1
71.12379	1.5
78.15527	0.7
85.02825	1.7
93.03335	72.7
93.24815	0.6
93.69466	0.6
94.03679	2.2
101.02348	1.4
108.02054	6.0
113.02333	0.9
123.04424	4.3
137.02342	100.0
138.02681	3.5
138.05487	1.6
152.00990	3.6
156.07379	0.7
167.03404	14.6
267.08948	0.8
298.98215	0.8
299.07788	1.6
306.47678	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0774
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
54.67087	0.3
57.03321	0.3
59.01257	2.2
61.53065	0.3
65.03836	0.4
65.10768	0.3
70.88002	0.9
71.00935	0.3
71.01263	2.6
73.02824	0.9
85.02821	1.2
85.99754	0.3
89.02320	0.5
89.44821	0.3
93.03339	70.8
94.03702	1.7
100.56316	0.3
100.81758	0.3
101.02311	1.4
108.02043	0.6
113.02354	0.8
123.03178	1.0
137.02348	100.0
138.02693	3.2
138.05505	11.7
151.07553	1.4
152.01100	0.4
153.01840	0.4
161.04469	0.4
190.66962	0.3
195.06633	0.5
268.71445	0.3
299.07858	0.7
300.10962	0.4
301.75876	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.056
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
56.98453	0.3
59.01212	0.4
63.02265	1.7
65.00176	1.1
66.08916	0.3
73.72277	0.3
83.01244	1.3
95.01219	0.3
107.01275	4.0
108.02090	0.3
125.02308	0.4
132.02063	0.7
133.02834	0.9
134.03651	1.3
146.03712	0.3
148.01570	0.6
149.02196	0.4
149.99506	0.3
151.00284	4.4
158.03548	0.3
169.01273	0.6
172.05281	0.4
183.04390	0.9
187.03935	0.4
188.04692	0.6
199.03941	0.7
200.04758	1.5
211.03964	1.4
212.04681	0.4
227.03450	3.2
228.04105	0.7
239.03496	0.6
243.02942	0.4
255.03014	2.2
256.03748	19.4
257.04080	1.2
267.02701	0.3
269.04498	0.4
276.39746	0.3
283.02460	1.1
284.03256	100.0
285.03589	6.2
299.05603	71.4
300.05960	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0563
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
50.84540	0.2
63.02267	1.4
65.00185	0.9
68.61205	0.1
70.80990	0.2
71.53732	0.3
83.01250	1.1
84.41432	0.2
104.02560	0.2
107.01276	2.5
107.01956	0.3
108.13930	0.1
121.02876	0.2
123.00808	0.3
125.02354	0.5
132.02048	1.2
133.02870	0.5
134.03691	0.7
148.01582	0.5
149.02383	0.5
149.99510	0.4
151.00281	3.6
151.01500	0.2
152.01045	0.2
157.02975	0.2
158.03635	0.3
169.01324	0.4
172.05220	0.2
174.03256	0.2
183.04463	0.8
184.05228	0.2
187.03932	0.4
188.04704	0.5
199.03970	0.9
200.04688	0.7
211.04007	1.0
212.04755	0.4
215.03459	0.2
217.00174	0.3
227.03447	3.1
228.04100	0.5
239.03476	0.5
240.03981	0.2
241.01405	0.2
241.05054	0.3
243.02827	0.2
255.02971	1.7
256.03757	28.9
257.04120	2.0
269.04630	1.4
271.02472	0.5
283.02499	1.0
284.03265	100.0
285.03604	6.9
285.06592	0.1
299.05609	67.3
300.05920	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34815	0.2
51.51328	0.3
58.13247	0.2
59.01252	1.6
63.21853	0.2
65.00208	0.3
70.91238	0.6
70.91582	0.2
91.01778	0.7
107.01272	0.7
109.29250	0.3
126.80304	0.3
127.17168	0.2
132.02078	0.4
133.02858	0.3
135.00778	1.4
136.01588	0.3
147.00755	0.6
148.01564	6.3
150.03166	0.9
151.00287	1.0
153.01807	0.8
158.03636	1.2
170.03642	0.4
174.99185	0.4
176.01086	1.1
183.04439	0.9
184.05188	0.7
187.03990	0.3
188.04659	0.4
195.04417	0.7
196.05186	0.3
198.03165	0.4
199.03911	1.7
200.04736	1.9
210.91692	0.3
211.03961	4.1
212.04704	2.3
214.02698	0.5
215.03445	0.4
216.04131	0.5
217.00153	1.6
223.03992	1.0
227.03439	9.8
228.04207	2.3
239.03467	2.8
240.04208	1.2
242.02231	0.7
255.02983	8.1
256.03674	3.8
267.02960	1.6
268.03415	0.3
271.02469	0.4
271.36902	0.3
283.02484	6.8
284.03247	100.0
285.03607	6.7
299.05597	66.7
300.05957	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	299.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80082	0.4
55.29049	0.3
59.01249	1.9
63.02290	0.6
64.06103	0.3
65.00245	0.6
71.55049	0.7
91.01807	1.2
95.01303	0.8
97.50995	0.4
107.01273	0.7
123.00799	1.0
133.02861	0.4
135.00830	1.6
136.01598	0.5
145.02888	0.6
147.00845	0.5
148.01567	6.5
150.03136	0.7
151.00313	1.0
153.01903	0.9
158.03656	1.2
161.02350	0.4
170.03683	0.5
172.05353	0.5
174.99211	0.4
176.00986	1.9
183.04434	1.9
186.03177	0.8
195.04517	1.1
196.05063	0.5
199.03932	2.3
200.04686	2.1
210.03371	0.4
211.03925	4.9
212.04733	2.4
213.05334	0.6
214.02695	1.0
215.03491	0.9
217.00331	2.4
223.04018	0.9
225.05655	0.5
227.03459	11.8
228.04198	2.3
239.03456	3.3
240.04100	2.4
241.04996	1.4
242.02171	1.0
243.02858	0.7
255.02971	9.2
256.03726	5.1
267.02960	1.8
268.03470	0.4
269.01599	0.6
269.04535	7.9
270.04950	0.7
271.02448	1.6
283.02496	7.9
284.03262	94.5
285.03580	7.0
285.06781	0.7
299.05594	100.0
300.02502	0.5
300.05917	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	299.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	1.1
63.02265	0.5
65.00195	0.4
65.03835	7.5
66.04158	0.2
67.01765	3.1
69.47022	1.4
71.27024	0.2
82.22960	0.2
84.30674	0.2
91.01752	0.2
92.97959	0.2
93.03328	0.2
96.94978	0.2
103.73257	0.2
107.01265	0.6
108.02013	0.2
109.02837	100.0
110.03170	2.3
115.05532	0.2
121.02827	0.3
133.02847	1.4
135.00815	0.3
143.04910	0.7
147.04469	0.2
148.01523	0.3
151.00288	0.3
155.04866	0.2
157.02888	0.3
161.02356	0.4
171.04453	0.8
174.99155	0.4
175.03900	1.0
187.03876	0.4
197.02295	0.4
198.03271	0.3
199.03955	2.4
200.04439	0.2
201.01944	0.6
213.01837	0.2
215.03467	0.8
217.00229	1.4
221.39127	0.2
225.01904	0.2
226.02589	0.5
227.03450	0.9
242.02086	0.3
243.03009	0.8
271.02475	10.2
272.02850	0.7
284.03122	0.5
284.06097	0.3
299.01974	12.7
299.05606	13.3
299.09137	0.8
299.25754	0.3
300.02365	0.9
300.05914	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	2.5
61.00098	0.6
63.02267	1.3
65.00196	1.8
66.38419	0.6
68.99696	0.7
69.42600	5.6
70.73566	0.6
76.49924	0.7
83.01294	0.8
91.01736	1.3
97.47320	0.8
107.01279	1.9
108.02114	0.8
109.02854	1.0
132.41803	0.7
133.02846	2.6
135.00777	2.5
137.02286	0.7
142.77203	0.7
143.04922	1.3
147.04413	0.7
148.01575	5.5
150.03075	0.8
151.00287	2.4
153.01830	1.6
157.02811	1.0
169.01353	0.9
171.04443	2.0
172.05029	0.9
175.03906	1.2
176.01118	1.2
183.04382	1.7
187.03951	1.2
198.03072	1.1
199.03923	5.6
200.04710	3.5
201.01828	1.7
211.03981	5.2
212.04720	1.9
214.02657	1.2
215.03447	2.5
227.03455	11.0
228.04065	2.3
239.03455	2.9
240.04224	1.4
242.02197	1.5
243.02959	2.7
253.54437	0.6
255.02985	8.7
256.03683	3.8
257.13977	1.2
267.03003	2.2
271.02484	20.2
272.02682	0.7
283.02490	4.8
284.03265	100.0
285.03644	6.5
299.01978	22.0
299.05600	57.9
299.25797	1.6
299.99008	1.9
300.02432	3.3
300.05969	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	299.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.5
63.02277	0.7
65.00183	0.9
69.22068	0.4
71.57256	0.6
72.85052	0.4
74.02330	0.4
77.11815	0.5
85.02797	0.4
91.01786	1.2
107.01274	1.3
108.02062	1.2
109.02839	0.6
121.02901	0.4
126.79311	0.5
133.02859	1.3
135.00790	2.4
137.02347	1.0
142.58130	0.4
143.04880	0.4
145.02785	0.6
148.01558	6.2
150.03169	0.6
151.00287	2.2
153.01843	2.6
158.03642	1.2
161.02299	0.5
164.01060	0.5
171.04451	1.6
172.05185	1.1
174.03082	0.5
176.01036	1.1
178.99695	0.6
183.04393	1.6
185.02362	1.2
187.03944	1.8
195.04454	0.8
196.05170	0.8
199.03934	3.7
200.04745	4.0
203.03409	0.5
211.03952	3.7
212.04701	2.4
213.01790	0.7
214.02693	0.7
215.03467	1.2
216.04256	0.5
227.03430	11.2
228.04123	1.5
239.03481	3.3
240.04205	2.4
242.02185	0.4
242.99374	0.4
243.02962	1.4
255.02922	8.1
256.03714	3.8
257.13852	0.6
267.03030	1.7
267.95605	0.5
270.99191	0.8
271.02463	8.2
272.02719	0.5
283.02463	6.4
284.03253	100.0
285.03653	6.8
285.06888	0.8
286.44800	0.5
299.02078	7.5
299.05554	51.8
299.25928	0.5
299.99103	0.9
300.02631	1.5
300.05975	3.4
300.08951	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	25.1
70.96787	2.4
83.01250	1.3
91.01768	9.6
95.01247	4.0
98.20454	1.4
99.92458	1.5
107.01273	2.0
108.02041	4.0
108.53689	1.1
108.72666	1.3
109.02821	2.6
113.03087	1.2
121.02850	1.8
123.00751	7.3
132.02072	3.1
132.98181	1.3
133.02853	2.1
135.00777	12.0
143.04987	1.4
148.01576	3.9
149.02328	1.4
151.00343	1.7
153.01849	10.7
158.03603	2.1
161.02357	2.4
163.00267	2.5
167.04895	1.9
171.04448	2.2
174.03145	1.4
174.99182	7.5
182.03658	2.0
183.04416	3.4
184.05205	3.8
185.02362	1.8
186.03157	1.9
187.03961	4.7
189.05496	2.4
190.99841	1.6
195.04422	4.5
196.05217	2.7
198.03159	3.4
199.03993	6.1
200.04707	4.6
211.03972	14.2
211.07405	1.1
212.04701	6.2
213.01857	2.7
213.05473	3.2
214.02689	5.9
215.03386	3.1
216.04262	3.6
216.98218	2.4
217.00253	34.4
218.00677	1.4
222.03072	1.4
223.03989	4.5
227.03416	9.2
228.04245	3.5
231.06602	5.4
238.02660	2.0
239.03441	11.9
240.04198	18.9
241.01212	1.6
241.04941	5.3
243.06714	1.8
252.04253	2.9
255.02954	8.0
255.06615	4.7
256.03711	9.1
256.06055	1.2
256.07339	1.3
266.02103	3.2
267.02945	12.7
268.03403	3.2
269.04529	14.0
270.98801	1.2
271.02991	2.2
271.06082	18.9
281.04907	1.2
283.02484	2.8
284.03271	75.2
284.06708	6.8
285.03656	5.4
299.02353	3.3
299.05606	100.0
299.18808	1.9
299.25891	2.6
300.05807	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	299.0198
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
58.08881	0.4
59.01251	4.2
63.02272	5.0
65.00204	4.2
69.53401	3.3
79.01729	0.5
79.07672	0.4
79.68023	0.5
83.01222	1.1
88.10992	0.4
89.00205	0.7
91.01727	0.9
95.90282	0.5
107.01291	4.0
109.02830	5.7
115.05372	0.9
119.01239	1.2
121.02755	0.5
131.04887	0.8
133.02850	9.7
135.00734	1.4
143.04950	4.3
145.02821	1.0
147.00682	0.8
147.04356	1.8
148.01451	0.5
149.02254	0.6
151.00294	2.7
151.62123	0.4
155.04854	1.9
156.50914	0.4
157.02858	3.0
159.04440	1.0
161.02307	0.9
163.03908	0.7
169.01390	0.8
170.03691	0.6
171.04431	7.4
173.02324	1.7
174.99136	1.3
175.03906	3.6
182.03661	0.9
183.04425	1.4
185.02412	0.8
187.03889	4.4
189.05423	0.5
197.02388	1.4
198.03119	2.5
199.02126	1.0
199.03952	15.8
200.04344	0.9
201.01892	5.7
203.03357	1.0
211.03922	0.7
213.01976	1.0
214.02722	1.1
215.03444	6.8
217.00250	4.2
225.01823	0.7
226.02658	3.5
227.03462	8.6
229.01416	0.7
241.01392	0.6
241.04979	0.5
242.02151	3.0
243.02950	8.2
244.03375	0.6
255.02876	1.0
256.03799	0.9
269.04208	0.9
271.02475	87.2
272.02802	6.2
275.99661	0.5
282.01624	0.6
284.03137	1.2
284.06247	1.8
299.01981	100.0
299.18643	1.2
300.02335	9.1
307.79913	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0197
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
51.63461	0.6
56.27214	0.6
59.01236	2.7
63.02002	0.5
63.02269	5.1
63.35398	0.7
63.70492	0.6
64.48061	0.7
64.96690	0.6
65.00195	3.4
67.91416	0.6
70.25012	1.9
70.25407	1.5
83.01239	1.0
95.01250	4.6
97.00215	0.6
98.66715	0.7
107.01265	2.5
109.02841	5.9
115.05434	0.9
119.01254	1.0
121.02846	0.7
123.00797	9.2
133.02858	13.0
135.00775	1.0
138.14554	0.7
139.64865	0.6
143.04938	6.2
145.02867	6.1
145.06482	1.1
147.00696	0.8
147.04425	1.7
151.00247	3.0
155.04970	1.3
157.02873	4.6
159.04507	1.2
161.02380	0.8
163.03998	1.0
169.02808	1.1
169.06499	1.4
171.04443	9.1
173.02335	2.9
174.99100	1.0
175.03929	4.5
182.03635	1.4
183.04463	1.4
185.02428	3.3
185.05983	2.3
186.02908	0.7
187.03967	4.2
195.04408	1.7
197.02322	3.5
197.05992	2.2
198.03180	3.8
199.03951	18.0
201.01961	3.3
201.05534	1.5
203.03468	1.0
211.03848	0.6
212.04720	0.8
213.01923	9.7
213.05472	7.6
214.02473	1.9
215.03442	6.0
217.00237	2.4
225.01968	1.5
225.05557	3.2
226.02603	4.5
227.03447	8.5
239.03622	0.7
240.04285	0.9
241.01427	12.1
241.05019	14.2
242.02032	2.7
243.02940	7.1
251.03424	1.0
253.01363	0.9
254.02267	1.2
255.02925	1.6
256.03708	1.3
268.03726	1.0
269.00922	34.5
269.04510	88.9
270.01431	5.1
270.04453	5.5
271.02475	85.0
272.02728	5.0
282.01804	1.0
284.03265	14.0
284.06870	42.6
285.03830	2.2
285.07205	3.2
299.01935	100.0
299.05554	19.3
299.09213	25.6
300.02261	6.9
300.05896	1.7
300.09296	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50633	0.9
55.01753	2.4
57.03312	2.6
58.00462	5.7
59.01251	100.0
61.01978	1.1
69.03332	1.0
71.01254	85.0
71.57855	2.4
72.01573	1.3
72.99180	6.2
73.02814	8.7
75.00738	1.8
83.01253	4.2
85.02345	1.9
85.02824	24.8
87.00740	4.8
87.04373	1.1
89.02316	92.7
90.02682	2.2
94.24645	1.0
95.01274	5.0
99.00729	2.9
101.02323	53.8
103.03882	2.4
113.02328	31.4
114.64901	0.9
117.05457	2.1
119.03391	39.2
119.04827	2.2
125.02301	1.7
131.03383	3.8
135.04399	6.1
135.06532	37.1
140.09355	1.2
143.03416	6.2
149.04405	3.4
159.02898	1.2
161.04459	17.8
163.03915	1.3
179.04088	2.0
179.05518	20.5
210.97774	1.0
241.53093	1.0
297.08542	2.8
297.11874	48.2
297.24399	5.9
298.12372	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	297.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86814	0.3
54.21623	0.3
59.01260	0.4
69.54095	1.8
69.54510	0.6
79.95564	1.7
98.20584	0.6
102.87849	0.3
103.80853	0.3
119.04933	0.8
153.50160	0.4
163.74561	0.3
183.01135	42.4
184.01909	14.1
185.02301	0.5
197.02789	1.5
211.04050	0.4
216.00928	6.4
223.45454	0.3
233.19005	0.5
239.03447	0.6
282.05423	0.8
297.15286	100.0
298.15610	9.4
306.17822	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2434
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
53.08825	0.4
59.01246	0.8
69.26563	0.5
69.26880	5.1
70.80719	0.3
71.01262	0.6
72.29494	0.4
78.49658	0.4
80.27779	0.4
85.65340	0.4
92.26554	0.3
119.79626	0.4
137.09602	0.6
138.94965	0.5
141.12724	1.4
155.10681	13.7
156.10931	0.5
171.10158	1.2
183.01134	1.5
279.23291	13.8
280.23691	1.0
282.05283	0.8
295.22757	1.4
297.15451	2.9
297.24341	100.0
298.24670	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0197
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
51.58203	0.5
59.01254	4.0
59.82273	0.5
61.29594	0.6
62.16898	0.6
63.02271	4.6
65.00188	3.4
69.75614	0.6
69.83588	0.5
69.94056	3.1
83.01219	1.6
89.00186	1.0
95.01277	0.7
105.03312	0.6
107.01260	3.7
109.02818	5.2
115.05405	0.8
117.03347	0.6
119.01250	1.4
131.04846	1.1
133.01869	0.6
133.02835	10.3
135.00735	1.6
143.04932	4.5
145.02811	1.9
147.04422	0.8
149.02336	0.7
151.00267	2.4
155.04872	1.6
157.02863	3.3
159.04402	0.6
161.02272	0.8
170.03552	1.1
171.04405	8.9
173.02283	1.7
174.99162	1.5
175.03932	4.4
183.04404	1.3
187.03911	4.1
197.02333	1.9
198.03075	2.6
199.02127	1.0
199.03931	17.3
200.04259	0.6
201.01862	5.6
203.03424	1.1
213.01884	0.8
214.02602	1.7
215.03439	6.8
217.00217	4.8
226.02640	3.3
227.03403	7.2
228.03893	0.8
240.04088	1.3
241.01331	0.7
242.02229	2.0
243.02983	9.0
255.02919	1.9
256.03732	1.1
269.04422	1.6
271.02469	85.8
272.02768	5.7
282.01828	1.5
284.03162	1.7
284.06192	2.2
299.01974	100.0
299.18677	1.3
300.02325	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1191
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
55.01773	1.8
57.03329	1.7
58.00475	3.8
59.01252	100.0
60.21048	1.1
69.48904	1.0
70.91378	3.2
71.01254	65.9
72.01603	1.3
72.99178	3.2
73.02823	8.5
81.03326	1.9
82.54006	1.1
83.01271	3.2
85.02818	17.4
87.00756	4.0
88.03916	2.4
89.02319	75.5
90.02666	1.4
95.01280	4.6
96.95860	2.1
97.02844	1.1
99.00741	2.1
101.02321	43.3
103.03892	1.9
113.02329	27.9
117.05466	1.4
119.03390	32.9
125.02370	1.2
131.03409	2.0
135.04437	3.7
135.06532	31.9
135.07529	2.1
137.30765	1.0
143.03397	6.9
149.04454	2.3
161.04471	13.4
179.05531	16.1
195.28781	1.1
297.08453	2.0
297.11896	36.4
298.06055	2.1
298.11880	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95259	0.9
59.01250	4.2
69.44997	8.7
71.01254	1.5
75.83785	0.9
89.02317	2.0
98.19727	1.8
101.02333	1.8
104.97721	1.1
119.04913	4.3
121.02852	2.0
136.44081	0.9
149.02274	1.0
161.04506	1.1
167.80330	0.9
177.01804	1.6
195.02872	2.3
195.04453	1.5
211.03909	2.8
235.98004	1.0
239.03459	90.3
240.03816	5.7
253.05147	5.8
254.05730	3.2
267.02982	100.0
268.03253	6.3
269.04553	3.4
281.04568	9.7
282.05338	66.7
283.05783	4.9
297.04346	3.3
297.07681	77.0
297.16968	1.7
297.24359	12.0
298.07968	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	297.0768
Annotation	RETUSIN 7-METHYL ETHER
Peak:m/z	Relative Intensity
65.52112	0.3
69.27415	3.2
69.27837	1.1
76.23627	0.4
103.57714	0.4
108.44549	0.4
108.84509	0.4
132.02139	1.1
141.03403	0.4
143.04878	0.6
155.04968	1.4
167.04944	2.1
173.06094	0.4
183.04459	5.2
195.04448	16.7
210.03204	0.8
210.06831	1.1
211.03958	14.9
212.04282	0.9
223.03975	3.2
225.05527	1.6
238.02733	1.2
239.03471	62.4
240.03806	3.6
253.05267	0.7
254.05833	30.4
255.06215	1.8
266.02185	1.2
267.02985	12.8
268.03271	0.6
281.04584	1.3
282.05334	100.0
283.05719	6.2
297.07675	74.5
298.08044	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	297.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.6
57.03330	2.5
58.00467	4.6
58.26933	0.3
58.90288	0.3
59.01254	100.0
60.01584	1.0
69.03330	0.4
70.93204	0.7
70.93526	0.3
71.01257	82.3
72.01595	1.3
72.99185	6.7
73.02824	11.2
74.78826	0.3
75.00751	0.8
80.28489	0.3
81.03320	1.8
83.01260	5.0
85.02827	21.5
87.00754	4.4
87.04402	0.6
89.02321	99.2
90.02654	1.6
95.01266	5.3
96.36935	0.3
97.02790	0.6
99.00776	3.0
99.04413	0.7
101.02327	56.8
102.02676	1.1
103.03909	2.0
103.74918	0.3
113.02335	34.1
114.02690	0.9
115.03894	0.4
117.05460	1.7
119.03397	40.9
120.03739	0.7
125.02354	1.0
129.01842	0.4
131.03410	4.4
133.05032	0.6
135.06535	38.8
136.06854	0.9
143.03412	7.4
143.04526	0.4
149.04465	3.7
159.02904	1.8
161.04469	20.0
162.04819	0.4
179.05542	23.2
180.05869	0.9
181.18602	0.3
205.03377	0.6
218.20819	0.3
237.09711	0.6
245.06303	0.4
297.11914	49.0
297.24365	2.1
298.12283	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65212	0.2
59.01229	0.7
59.36216	0.2
62.36195	0.2
64.79463	0.2
66.29765	0.2
69.46137	1.4
69.46548	0.4
73.63715	0.2
78.95778	6.9
89.02334	0.2
91.01769	0.3
96.29620	0.2
98.19826	0.5
107.01316	0.2
117.03326	1.5
121.02815	0.8
122.98388	0.3
132.02080	1.1
133.02806	0.8
135.04402	0.3
143.04910	0.6
147.00688	0.3
155.04924	1.2
167.04933	2.0
171.04463	0.3
182.03644	0.7
183.04457	4.1
185.05968	0.3
195.04459	6.7
196.04820	0.4
197.05858	0.9
199.03917	0.3
210.03203	0.8
211.03954	10.3
212.04289	0.6
222.03285	0.3
223.03944	4.5
224.04533	0.3
225.05482	0.4
226.02751	0.3
238.02716	0.6
239.03459	34.2
240.03773	2.0
241.05084	0.2
254.05864	2.4
266.02136	0.3
267.02979	39.7
268.03345	2.6
269.04529	3.6
282.05334	100.0
283.05692	8.3
283.10300	0.3
297.04074	9.1
297.07684	30.2
297.14615	3.8
297.24353	1.8
298.04684	0.5
298.07892	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	297.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86903	0.4
59.01244	1.9
60.57751	0.4
65.00194	1.0
71.01235	0.9
83.01262	0.6
89.02353	0.9
98.19815	1.8
98.20541	1.7
103.05408	1.5
105.03385	0.9
107.01280	2.7
113.02337	0.4
119.03370	0.5
119.04899	0.9
121.02851	0.9
123.04404	1.5
133.06508	0.8
135.00882	0.7
135.06531	0.5
141.50287	0.4
147.04434	6.8
149.02368	4.7
151.00275	9.6
152.00603	0.4
153.01875	0.4
161.02328	0.9
169.06406	0.4
190.02629	2.3
191.03427	100.0
192.03780	4.2
195.04388	0.5
201.43982	0.5
211.03967	1.0
218.40598	0.4
230.33646	0.5
239.03520	1.9
240.03996	0.6
254.02182	0.5
254.05908	0.8
267.02951	1.0
268.03616	1.0
269.04565	1.3
282.01987	0.8
282.05338	3.3
297.04059	3.8
297.07697	8.0
297.11163	0.8
297.24310	5.2
298.08099	0.7
316.95978	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71156	0.3
61.97034	0.3
68.05019	0.3
69.44955	3.1
101.43403	0.3
132.02071	0.7
141.03349	0.5
143.04947	0.9
155.04939	1.4
161.92273	0.3
167.04927	1.5
173.06128	0.5
182.03754	0.4
183.04439	5.6
195.04437	18.1
196.04802	0.9
210.03210	1.0
210.06822	1.1
211.03949	15.1
212.04265	0.6
215.03351	0.5
223.03932	2.8
225.05486	1.1
238.02734	1.2
239.03461	57.6
240.03772	4.2
253.05075	0.7
254.05817	24.7
255.06206	1.6
266.02100	1.4
267.02945	10.5
268.03464	0.5
281.04523	1.0
282.05331	100.0
283.05695	6.9
297.07669	85.7
297.24521	0.5
298.08029	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	297.077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	3.6
71.01266	1.1
85.02834	0.6
89.02339	1.4
98.20584	0.7
101.02348	0.9
113.02369	0.4
119.03424	0.4
132.02086	0.7
141.03317	0.4
143.04944	0.8
147.04315	0.4
151.18788	0.4
155.04936	2.0
166.54343	0.4
167.04984	1.8
182.03706	0.4
183.04443	4.6
191.03465	0.7
191.18417	0.4
195.04448	14.4
195.06244	0.7
199.04036	0.5
210.03201	0.9
210.06815	0.7
211.03946	14.5
212.04300	1.1
223.03955	3.5
225.05585	0.9
238.02640	1.0
239.03464	58.0
240.03804	4.2
253.05119	0.8
254.05821	29.3
255.06223	1.7
266.02216	1.1
267.02991	14.8
268.03177	0.9
281.04596	1.4
282.05331	100.0
283.05673	7.5
297.07672	66.0
297.24429	2.7
298.08017	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	297.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
64.18707	0.4
69.25719	3.2
69.26148	2.3
82.60649	0.5
84.51497	0.5
98.20651	0.9
100.22049	0.5
110.88713	0.5
117.07664	0.5
132.02097	0.7
135.00754	1.0
153.01903	0.7
175.28909	0.5
195.04439	0.8
195.44389	0.6
197.50136	0.5
209.06129	0.5
211.03972	1.5
223.03947	1.4
224.04735	1.0
225.01773	0.5
239.03467	70.1
240.03798	4.3
251.03476	1.7
252.04230	1.7
253.05045	28.3
254.05426	2.3
265.05032	1.2
267.02982	52.3
268.03262	3.8
279.02997	3.8
281.04556	66.4
282.05267	35.7
283.05658	1.8
297.07675	100.0
298.04880	1.4
298.08011	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	297.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97128	0.1
59.01234	0.3
59.88210	0.1
65.32016	0.1
71.01210	0.1
74.61120	0.1
84.92302	0.1
88.85025	0.1
89.02316	0.2
93.74283	0.1
103.56931	0.1
120.65552	0.1
135.06319	0.1
146.49951	0.1
148.09270	0.2
154.04074	0.2
182.03624	0.6
185.02324	0.1
195.15395	0.1
197.02373	0.2
198.03198	0.3
209.02400	0.2
225.01834	0.7
226.02679	1.6
227.03061	0.2
238.02588	0.5
253.01416	6.1
254.01860	0.9
281.00922	15.4
282.01694	100.0
283.02045	7.1
297.04050	28.5
297.24258	0.4
298.04434	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	297.0407
Annotation	Isotrifoliol
Peak:m/z	Relative Intensity
59.01240	0.9
63.48669	0.3
65.00195	0.6
68.99693	0.4
70.23766	0.6
70.24161	0.7
71.01264	0.3
78.34466	0.3
89.02319	0.6
89.03841	0.5
91.01770	10.4
92.02106	0.5
93.03336	3.0
95.01289	1.0
101.02332	0.3
109.02831	1.7
109.17563	0.3
117.03333	0.7
121.02863	0.9
123.00767	0.3
130.60175	0.3
132.02077	0.8
133.02861	4.8
135.00781	6.3
139.05397	0.8
143.04953	0.8
147.00786	3.3
149.02362	2.6
152.06195	0.4
153.01851	5.6
153.06985	0.7
155.04930	0.9
157.02859	0.3
157.06500	1.1
158.09384	0.3
159.00815	0.3
161.02365	3.8
167.04919	1.0
169.06488	1.9
171.04443	1.2
173.02374	0.4
173.06044	0.5
175.00302	1.4
175.03900	0.7
177.01837	2.7
180.05740	2.4
181.06538	3.3
182.03735	1.6
183.04448	4.9
185.02336	0.9
185.06021	0.4
187.03944	0.3
195.04460	4.0
196.05228	2.3
197.06010	5.0
198.03201	1.4
198.06374	0.4
199.03940	4.1
200.04527	0.6
201.01834	0.9
201.05560	1.5
205.01231	0.4
207.04448	5.1
208.05081	0.5
209.06131	0.5
209.15427	3.5
210.03223	1.1
211.03935	4.7
212.04410	0.4
213.05521	2.1
223.03949	2.3
224.04718	6.1
225.05533	17.7
226.02719	0.9
226.05830	1.4
227.03528	2.2
229.05011	0.5
239.03456	6.8
239.05742	0.7
240.04161	1.8
241.05057	4.0
251.03488	1.7
253.05049	2.8
254.05811	2.9
255.02863	0.3
266.02310	0.3
267.03009	3.2
268.03760	7.4
269.04550	26.7
270.04984	1.6
279.02988	0.3
282.02136	0.5
282.05338	9.4
282.08307	0.7
283.05746	0.6
297.04065	100.0
297.07532	5.8
297.24380	2.0
298.04440	7.6
298.07922	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02256	0.5
59.01250	1.7
67.01730	0.5
69.25497	2.6
69.25923	2.0
71.01270	0.8
89.02321	0.8
91.01771	2.5
93.03336	2.1
95.01288	1.0
95.04836	0.4
101.02296	0.7
107.01257	0.5
108.02057	0.7
108.37331	0.4
109.02829	0.6
113.02297	0.4
117.03343	3.2
119.04897	3.2
119.20649	0.4
121.02815	1.4
123.00748	0.5
123.04381	0.8
132.02055	2.6
133.02847	3.0
135.00781	1.9
135.06534	0.5
141.03398	0.5
143.04948	2.7
145.02843	1.5
148.01515	1.1
149.02280	0.7
153.01843	1.6
157.06517	0.9
160.01494	0.4
161.02354	2.6
167.04951	3.5
168.05688	0.5
169.06525	7.6
171.04433	2.2
172.88571	0.5
177.01854	0.9
180.05742	1.5
181.06493	1.3
182.03613	1.4
183.04442	2.0
184.05200	2.0
185.05962	2.8
187.03931	0.5
195.02869	0.7
195.04457	6.7
196.05225	4.2
197.06044	7.2
198.03131	1.0
198.06488	0.5
199.03917	1.6
201.05400	0.5
205.12109	0.5
207.04404	0.7
210.03169	0.5
211.02115	0.8
211.03957	7.8
212.04688	2.7
213.05518	15.2
214.05896	0.8
214.89607	0.6
223.03964	3.9
223.13361	4.1
224.04723	8.3
225.05519	10.2
226.02736	2.4
226.05846	0.8
227.03470	0.7
239.03456	9.8
239.05759	0.8
240.04251	4.9
241.05034	15.7
242.05344	1.2
251.03505	1.2
252.04243	1.9
253.05026	4.9
254.05873	1.0
267.02982	7.0
268.03726	7.5
269.04544	49.8
270.04984	4.6
281.04660	0.7
282.05331	4.9
283.05615	0.5
295.02698	0.8
297.04050	100.0
297.07578	7.3
297.24365	4.8
297.27679	0.7
298.04379	8.1
298.07608	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0405
Annotation	Glyzaglabrin
Peak:m/z	Relative Intensity
51.64947	0.2
53.11227	0.2
58.02816	0.3
59.01225	1.0
61.44717	0.2
63.02270	3.1
65.00197	1.8
71.01222	0.4
71.15122	0.3
71.15465	0.5
78.74373	0.2
83.01217	0.7
84.03483	0.2
89.00180	0.7
89.02286	0.8
89.03796	0.2
91.01759	2.1
93.03309	0.3
95.01205	0.2
101.02288	0.3
101.59792	0.2
107.01270	3.2
113.02299	0.3
117.03291	0.5
119.04906	1.0
121.02823	0.3
123.04395	0.5
131.04932	0.6
132.02046	1.3
133.01842	0.4
133.02850	7.2
134.03102	0.2
135.00766	0.6
135.04436	2.1
141.03339	0.3
143.04904	0.5
145.02786	0.3
146.85689	0.2
151.00237	0.9
153.01903	0.4
154.04121	0.3
155.04924	0.6
157.02835	0.8
157.06468	0.3
158.03598	0.7
159.00815	0.3
159.03336	0.3
159.04457	3.3
161.02315	1.7
163.03920	0.7
167.04878	0.9
169.06474	1.3
171.04399	1.1
173.05986	0.7
176.01047	0.6
179.04964	0.3
180.05721	2.0
181.06480	2.3
182.03644	0.7
183.04433	2.7
185.02414	0.3
187.03992	0.6
195.04431	2.9
196.05254	1.5
197.06024	1.7
199.03972	1.7
201.05522	2.7
210.03169	0.3
211.03978	2.7
212.04558	0.4
213.05524	0.6
214.89668	0.5
223.03914	1.0
224.04713	1.8
225.05502	2.0
227.03473	0.7
239.03461	7.1
240.04134	1.6
241.04988	2.4
253.04971	0.4
254.05815	2.3
267.02988	4.6
268.03714	4.7
269.04547	40.8
270.04865	3.0
282.05319	8.2
283.05627	0.8
295.02542	1.2
296.02927	0.3
297.04056	100.0
297.24350	3.0
297.27689	0.4
298.04407	8.4
298.07855	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2279
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
53.88873	0.5
57.03323	1.0
59.01252	5.2
67.08943	0.6
71.01257	0.8
82.04263	0.7
97.06434	0.8
100.08084	0.5
113.09576	1.6
129.97070	0.6
145.13574	0.5
179.14304	1.1
182.75691	0.6
195.13852	19.3
196.14258	0.7
230.05115	0.7
277.21725	16.9
278.22040	1.4
295.22784	100.0
296.23132	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	296.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00741	1.0
50.50819	1.0
57.03337	1.7
59.01251	4.5
64.98483	0.9
66.03377	1.3
67.26628	1.1
69.03329	3.9
71.01257	2.7
71.04897	7.7
71.21601	1.5
71.21915	1.1
80.02574	1.0
89.02316	1.9
92.04982	1.0
98.09642	9.5
99.08041	1.2
101.02318	1.6
119.03390	1.2
124.07587	1.0
135.06548	1.1
142.08644	3.6
153.12762	10.1
155.10678	2.6
155.14381	1.0
165.75847	1.0
169.15909	4.2
181.15906	100.0
182.16235	5.8
183.01122	9.9
183.13890	2.3
183.17467	8.6
195.04443	1.7
207.16312	2.1
208.17041	1.3
211.04039	1.4
211.20647	1.1
216.00816	1.0
232.20778	1.7
234.22179	6.9
239.03423	4.0
250.21753	8.7
252.23305	57.9
253.23561	4.3
254.05843	3.1
255.33315	1.1
267.02917	1.3
278.22037	1.7
279.23343	4.1
282.05289	9.7
296.22366	30.4
297.07828	6.4
297.12073	1.6
297.15271	21.7
297.24396	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03314	1.0
59.01239	1.8
69.58189	3.3
77.33642	0.4
88.15804	0.4
93.52785	0.4
97.06441	0.5
98.19843	0.8
111.05058	0.4
113.09602	3.0
132.32906	0.5
137.12216	0.4
147.69913	0.4
154.14600	0.4
171.10236	0.4
177.12733	0.7
179.14348	1.5
195.13844	21.5
196.14211	0.9
205.19168	0.4
270.36005	0.5
277.21732	21.9
278.22122	1.5
295.22784	100.0
296.23117	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	295.2277
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
55.37828	0.5
57.03321	0.9
59.01229	1.3
59.30704	0.5
62.18909	0.5
69.92167	2.5
99.08044	0.9
106.25990	0.7
109.06407	0.5
125.09630	0.9
127.11210	0.7
159.66739	0.6
171.10176	41.0
172.10510	1.9
233.22604	0.5
235.91299	0.5
259.20496	0.6
277.21719	51.4
278.22107	3.5
295.22778	100.0
296.23126	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2277
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
51.98007	0.6
53.56764	0.5
57.03327	2.8
59.01245	1.9
67.68156	0.5
70.33029	0.8
70.33411	0.8
70.70182	0.5
71.01251	0.8
78.87240	0.6
98.20481	0.5
98.95470	1.7
125.09606	1.6
137.09630	0.7
139.11220	0.9
141.12708	0.9
155.14301	3.3
166.67770	0.5
171.10179	44.1
172.10468	1.0
183.10182	2.5
195.13799	1.3
251.23871	1.7
265.05444	0.7
277.21722	52.2
278.22095	4.6
295.22772	100.0
296.23141	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	295.2279
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03326	1.0
59.01251	2.6
62.12994	0.4
69.29629	1.6
69.30057	1.6
71.01258	0.8
82.37433	0.3
83.14346	0.3
84.48940	0.3
92.23856	0.3
113.09619	2.4
142.55052	0.3
177.12788	0.6
179.14354	1.1
181.12227	0.6
195.13837	21.6
196.14169	1.2
242.52716	0.3
251.23798	0.4
259.20697	0.4
277.21725	19.3
278.22089	1.7
295.22778	100.0
296.23160	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	295.2279
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
51.00923	0.5
57.03320	1.2
59.01250	4.0
62.71231	0.6
66.50404	0.6
69.32424	2.1
69.32847	4.5
79.00095	0.6
89.86093	0.6
90.11765	0.6
97.06445	1.0
112.37598	0.7
113.09595	0.8
137.63597	0.8
155.10683	1.1
164.08411	0.7
169.88615	0.6
170.05760	1.0
171.10178	15.6
183.10219	5.3
184.85654	0.8
195.13835	10.1
231.66298	0.7
257.91504	0.7
277.18124	10.2
277.21686	30.8
278.18433	1.0
278.22034	2.6
279.09116	1.2
293.21259	0.9
295.19135	11.4
295.22736	100.0
295.96896	0.7
296.19666	1.3
296.23077	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2279
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
59.01241	3.4
60.35736	0.7
68.65929	0.8
70.78133	2.0
74.90936	0.7
85.02837	0.8
89.36660	0.7
96.95918	0.9
98.95455	4.4
98.96355	1.1
104.25994	0.8
127.11168	1.3
137.82603	0.7
141.12762	9.2
142.54556	0.7
142.85277	0.8
155.14316	3.5
198.49927	1.0
249.22226	8.4
277.21588	2.8
295.18005	4.0
295.22772	100.0
296.23163	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	295.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	2.6
67.19688	0.7
69.58742	5.4
71.01254	1.4
73.02829	1.4
87.00739	0.9
87.57291	0.7
89.02335	4.9
93.03349	0.8
113.95988	1.0
119.04917	67.2
120.05312	1.8
122.03666	0.8
130.06798	0.8
131.03407	1.2
149.04471	20.8
150.70995	0.7
163.03926	100.0
164.04292	4.0
233.04424	0.8
251.88718	0.7
295.08224	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42104	0.9
55.61748	0.9
59.01250	4.5
63.21128	0.8
69.65157	7.4
71.01257	5.1
73.02812	3.2
87.00729	1.9
89.02315	19.6
91.09603	0.9
91.14850	1.0
96.95860	1.2
98.20528	1.8
98.95487	1.1
103.03899	1.3
113.63222	1.0
117.03362	1.1
119.04918	78.5
120.05258	2.7
122.31364	0.9
131.03401	5.9
133.54190	0.9
145.02841	1.7
149.04465	76.9
150.04892	0.9
163.03923	100.0
164.04254	4.3
200.08978	1.0
261.60291	0.9
295.10724	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38074	1.6
56.91323	1.7
57.03342	2.0
58.00468	5.7
59.01251	87.3
60.01553	1.6
69.42151	3.7
69.42560	12.0
71.01255	51.0
72.99179	4.0
73.02844	1.8
83.01215	2.7
83.56876	2.0
85.02824	13.2
89.02316	67.7
95.01278	5.1
101.02332	35.9
113.02336	22.9
115.00272	3.2
119.03403	26.1
119.04876	1.9
131.03418	2.9
133.04962	2.6
149.04471	2.2
161.04471	3.3
163.03935	2.4
179.05597	4.2
208.03589	2.1
249.13528	1.8
295.10336	100.0
296.10699	7.3
296.95160	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	295.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00481	2.9
59.01253	86.8
61.79562	1.1
69.24506	3.8
69.24930	10.8
71.01257	45.9
72.99190	2.5
73.02805	1.4
74.78142	1.3
83.01251	1.7
85.02814	10.1
87.00780	2.6
89.02321	60.5
95.01283	2.6
95.12814	1.2
101.02327	30.0
107.56886	1.3
110.55817	1.1
111.00806	1.2
113.02340	19.0
115.03944	2.0
119.03400	27.8
119.04867	6.3
131.03403	1.3
143.03410	2.9
144.73141	1.3
156.89293	1.3
161.04491	1.9
163.03928	12.1
179.05519	3.2
249.75352	1.4
295.10349	100.0
296.10718	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	295.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73145	3.6
59.01253	100.0
59.69553	4.3
69.69453	3.7
71.01241	6.2
71.13731	6.9
71.14048	4.9
125.06035	4.1
127.76637	4.2
200.45105	4.5
295.22955	4.7
314.74167	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	295.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	19.9
60.47903	0.4
69.44817	4.1
71.01256	0.8
74.05637	0.4
96.95862	0.9
101.02317	0.6
123.34664	0.5
181.12386	0.8
183.13832	18.2
184.14201	0.9
195.12032	0.9
195.13835	17.3
196.14125	0.9
213.14906	100.0
214.15257	5.1
223.13116	1.1
235.13161	3.0
253.12978	0.8
265.12967	0.7
267.12106	2.1
279.12042	2.2
283.14087	1.1
295.06140	1.3
295.14603	8.3
296.14334	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35521	0.7
59.01239	3.5
71.01251	0.9
73.97041	0.7
78.81590	0.7
81.25108	0.8
98.20509	1.2
98.95464	3.2
106.00756	0.6
107.12831	0.9
125.09608	1.7
130.37523	0.8
151.11174	1.9
171.10097	1.1
195.13802	2.0
213.18614	2.0
216.47229	0.7
222.15192	0.8
251.23848	1.1
277.21722	4.2
295.22772	100.0
296.23114	8.9
301.12463	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2074
Annotation	Stemaphylline N-oxide
Peak:m/z	Relative Intensity
57.03315	2.8
57.14850	0.5
59.01246	1.4
66.03367	1.0
68.01298	1.2
68.04926	5.2
68.61096	0.5
69.03325	1.5
70.81604	1.6
71.04877	0.8
80.02537	0.6
84.04423	1.8
92.04922	1.2
94.02843	6.2
98.96484	0.6
108.04433	0.7
110.06023	2.7
122.06006	2.7
138.09140	1.2
153.12772	7.0
155.14294	1.6
169.15892	6.8
179.14317	1.4
181.15915	6.4
182.16153	0.7
194.15337	0.8
195.17479	22.9
196.17821	1.2
204.17505	2.9
206.15489	1.1
209.19092	0.9
222.18585	100.0
223.18900	6.7
232.20653	0.7
248.20093	0.8
250.21739	96.4
251.22063	8.3
253.88441	0.5
281.26874	0.6
294.20749	52.1
295.13846	4.0
295.21118	5.4
298.24536	0.7
315.70679	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0249
Annotation	Medicagol
Peak:m/z	Relative Intensity
50.27381	0.4
55.01237	0.4
59.01245	2.7
59.58658	0.4
61.86345	0.4
66.47807	0.4
69.26440	0.4
70.36463	0.4
89.02340	0.5
91.01765	0.5
101.02347	0.5
113.02338	0.5
119.18177	0.5
121.02815	0.5
128.11647	0.5
139.55478	0.4
165.03403	0.7
167.04945	5.1
169.02890	0.8
171.04445	0.9
173.02318	1.3
182.03650	1.7
183.04449	5.0
184.04776	0.5
185.02408	0.6
193.02931	0.6
195.04446	9.0
197.02348	1.0
198.03076	0.6
199.03873	0.8
209.02440	1.0
210.03160	2.3
211.03951	16.5
212.04326	0.9
213.01933	0.7
213.05518	1.7
222.03151	3.7
223.03958	12.0
237.01875	4.1
238.02638	5.4
239.03459	15.8
240.03770	1.0
244.46860	0.5
250.02739	2.2
251.03462	2.7
265.01389	5.9
266.02203	23.9
267.02966	30.2
268.03299	2.3
277.18054	0.7
293.00998	1.2
293.82391	0.5
294.01297	0.5
295.02469	100.0
296.02768	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0249
Annotation	Medicagol
Peak:m/z	Relative Intensity
59.01249	2.8
69.86382	2.0
69.86797	1.4
70.97930	0.5
91.01768	1.2
93.92908	0.5
98.19894	0.8
121.02785	0.8
135.00749	3.0
135.20493	0.5
153.01816	1.6
167.04880	1.9
170.03641	0.5
182.03629	2.0
183.04428	1.9
195.04366	2.6
197.11668	0.8
210.03131	1.6
211.03961	6.3
213.01913	1.0
213.14835	0.6
222.03146	1.0
223.03873	1.9
237.01918	9.7
238.02582	2.1
239.03470	9.0
251.03476	0.9
253.01382	0.7
261.09171	1.3
263.10745	3.1
265.01456	7.8
266.02194	79.9
267.02960	100.0
268.03308	6.9
269.92194	0.6
280.11008	3.4
293.00876	1.4
294.01556	1.0
295.02475	94.4
295.13300	4.5
295.22751	1.4
296.02823	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	17.6
62.50333	2.6
70.05604	12.0
70.39368	2.3
71.01237	11.1
85.02839	4.7
86.00172	2.5
87.00766	9.2
89.02335	6.4
91.94011	2.7
98.20469	3.6
98.82967	2.2
101.02312	2.9
112.98695	7.2
119.03423	3.8
119.04928	53.2
149.00835	6.2
150.49135	2.6
151.16570	2.3
151.86923	2.6
159.65250	2.4
163.03940	100.0
164.04300	4.6
180.06625	4.2
226.68355	2.9
238.06490	2.4
276.71744	3.1
281.24936	2.7
295.10358	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	295.0458
Annotation	trans-coutaric acid
Peak:m/z	Relative Intensity
53.10267	1.1
59.01253	14.0
60.69353	0.9
63.87363	0.9
71.01250	4.3
71.57668	1.8
72.21980	1.0
72.99176	3.0
73.02826	1.1
85.02805	2.0
87.00755	9.2
89.02326	3.7
93.03360	1.3
101.02322	3.6
103.00238	3.6
112.98705	5.2
113.02355	1.7
119.03494	2.0
119.04916	62.4
120.05216	2.5
133.04936	1.6
149.00829	17.3
161.04523	1.2
163.03922	100.0
164.04254	3.4
178.53320	1.1
274.96002	1.4
292.08325	1.0
295.10373	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	295.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74657	1.8
59.01253	100.0
60.01602	2.7
62.22831	1.8
62.46119	2.2
70.24758	8.6
71.01202	2.5
74.95298	1.7
82.36973	1.8
84.47057	2.0
88.36943	2.0
106.04107	6.0
108.02056	2.6
131.20793	1.9
140.08012	1.8
147.08043	17.5
191.07002	7.0
191.08821	3.1
209.08150	4.2
227.57771	2.3
266.58105	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	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	4.5
59.01261	2.1
71.04887	1.5
76.79071	0.5
85.06460	0.6
97.06448	1.1
98.20637	1.0
113.09613	14.8
124.07683	0.5
124.88665	0.5
139.11159	1.9
146.80914	0.5
149.09674	0.4
164.04124	0.5
167.10709	1.7
171.10153	0.6
179.10695	1.2
195.13800	3.1
209.15298	0.6
221.15498	0.8
223.16953	1.9
231.21147	1.2
235.16997	13.8
236.17409	0.6
249.22151	1.9
275.20169	12.9
276.20468	0.6
293.08826	3.9
293.21231	100.0
294.09119	0.4
294.21539	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.9
59.01233	1.5
61.67747	0.6
63.71321	0.5
68.02412	0.7
69.84412	3.7
71.01253	1.4
96.95861	0.9
97.06454	1.1
98.19822	0.7
108.70031	0.6
109.26763	0.6
113.09607	2.7
119.03353	0.6
121.10117	3.7
123.08056	0.7
125.09623	3.7
141.12738	1.1
149.09610	1.1
150.09950	0.5
150.86931	0.7
171.10147	4.9
177.01877	0.6
185.11752	9.0
190.18474	0.7
193.15875	0.7
195.13855	0.7
197.11758	2.2
220.14618	2.4
221.15436	5.0
236.10466	3.8
249.22174	1.3
275.20123	8.3
293.21216	100.0
294.21555	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2487
Annotation	Sterculic acid
Peak:m/z	Relative Intensity
58.32542	1.2
61.91753	1.2
63.20498	1.3
64.56968	1.2
65.21516	1.2
71.42506	3.3
77.79345	1.4
93.65053	1.7
93.96558	1.4
96.95905	14.0
98.72821	1.2
103.59550	1.5
115.29774	1.4
163.64194	1.4
220.14633	2.4
221.15416	5.2
236.10399	2.0
257.73758	1.3
293.18011	12.7
293.24857	100.0
294.25259	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.5
67.87803	0.4
70.89711	1.5
71.22159	0.4
74.97704	0.4
97.06457	0.7
116.95563	0.5
123.08068	0.8
125.09616	4.3
136.89046	0.4
139.11165	0.6
141.12749	0.9
149.09644	2.0
185.11771	9.5
197.11732	1.7
213.54578	0.5
223.13358	0.6
275.20300	1.0
293.21237	100.0
294.21527	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06918	0.5
54.27719	0.7
54.31990	0.6
57.03311	0.9
59.01247	1.6
59.37799	0.7
70.76266	1.4
70.76614	0.7
71.01243	0.8
96.95874	1.0
98.19851	0.9
113.09602	3.4
121.10086	1.3
125.09629	1.6
139.11171	2.7
147.55986	0.6
153.12724	1.2
157.75725	0.6
159.07350	0.6
171.10156	2.2
185.11729	0.8
191.18007	3.4
201.16452	0.8
220.14645	2.4
221.15356	4.9
236.10510	2.2
247.20583	1.9
265.21741	0.8
273.21802	0.6
275.20090	3.8
293.21219	100.0
294.21555	8.4
296.11954	0.7
299.35474	0.8
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	13(S)-HOTrE
Peak:m/z	Relative Intensity
59.01227	0.8
64.46836	0.5
69.42738	0.5
82.53999	0.6
85.50851	0.5
98.19788	2.1
111.08002	0.8
118.98283	0.6
129.61214	0.6
167.10638	0.6
171.10068	0.7
179.14366	1.0
195.13841	13.9
196.14484	1.3
205.12141	0.7
211.13324	1.3
223.13333	12.3
224.13948	1.1
225.68185	0.6
228.13611	1.7
229.53796	0.8
231.21147	0.8
256.13101	5.0
265.21719	0.8
275.20148	13.1
293.21237	100.0
294.21561	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	6.0
58.38586	0.3
59.01259	2.6
70.34115	1.5
71.01268	0.6
83.04939	0.4
85.06498	0.4
97.06477	0.8
100.44255	0.3
109.06463	0.5
113.09611	19.3
114.09933	0.8
117.47561	0.4
125.09628	0.7
135.11705	0.4
139.11185	2.4
149.09634	0.8
167.10689	2.1
177.12744	0.9
179.10728	2.1
185.11705	1.0
195.13846	3.3
220.14670	1.4
221.15396	3.8
231.01566	0.4
236.10497	2.4
249.22226	2.5
250.05048	0.4
267.73477	0.4
275.20062	0.6
293.21234	100.0
294.21582	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46369	0.6
57.03331	6.7
59.01252	2.9
65.64657	0.6
75.20573	0.5
78.95483	0.6
97.06448	1.5
98.19695	1.3
109.06480	0.7
113.09609	19.8
114.09933	0.6
115.97729	0.5
120.39772	0.6
121.10133	0.7
125.09599	0.8
129.57185	0.5
139.11177	2.5
143.81262	0.6
149.09576	0.7
166.01637	0.5
167.10663	2.1
167.23853	0.5
171.10161	2.7
177.12756	0.9
179.10693	2.3
183.34149	0.6
185.06262	0.5
185.11739	1.1
195.13860	3.6
229.57111	0.7
239.81364	0.5
249.22221	2.3
275.20123	3.6
293.21222	100.0
294.21530	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	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03297	0.8
59.01242	2.5
62.78583	0.5
68.02411	0.7
68.70687	0.5
71.01256	1.4
72.02215	0.5
74.82933	0.5
98.59559	0.5
99.44486	0.5
121.10097	0.7
123.08055	0.9
136.08879	0.7
139.11176	1.5
151.11229	3.4
151.45459	0.5
153.09082	0.8
157.14516	0.6
167.14317	0.5
169.12242	2.8
171.10242	1.3
193.15770	1.4
193.22649	0.5
197.11780	30.0
198.12105	1.6
202.74365	0.5
220.14571	2.6
221.15416	5.1
231.21033	1.2
236.10521	3.5
236.12596	0.7
242.87717	0.6
249.22177	1.1
265.21698	0.8
267.32797	0.5
275.20169	15.9
276.20599	1.7
293.21231	100.0
294.21619	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
55.47413	1.2
59.01260	1.9
73.56773	1.4
98.19983	6.3
121.10120	50.6
122.10505	1.8
125.09618	2.5
132.80431	1.3
171.10185	80.3
172.10526	4.1
185.11757	3.4
197.11844	1.8
229.17191	1.5
231.21136	5.9
264.72324	1.3
275.20166	100.0
276.20508	7.1
293.21237	59.0
294.21582	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	2.6
58.00124	1.0
59.01238	5.8
59.33477	1.0
68.02410	18.9
68.62546	0.9
71.01242	3.7
71.16628	2.5
89.02309	1.3
93.96976	1.0
113.09616	3.4
121.10119	46.7
121.26566	1.0
122.10473	2.6
123.08059	1.4
125.09609	2.2
129.39935	1.0
135.65805	0.9
138.27426	1.1
149.09534	1.2
171.10182	81.2
172.10530	3.2
177.09183	1.2
185.11824	5.9
192.11464	1.7
192.97910	1.0
194.92630	1.0
195.13890	1.4
197.11685	1.1
205.12241	2.8
220.14635	10.3
221.15422	15.6
222.15666	1.7
231.21182	6.8
236.10495	12.3
249.22151	1.4
275.20148	100.0
276.20456	9.9
293.21219	81.1
294.21472	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.9
59.01244	1.7
70.49529	0.4
71.01235	1.1
71.61207	0.4
78.04196	0.4
83.04859	0.5
95.04940	0.4
97.06490	0.4
98.20555	0.9
111.08060	0.6
113.09607	1.2
123.08009	0.8
136.08864	1.5
151.11209	1.3
167.10666	0.6
171.10246	0.6
179.14337	1.2
192.11455	1.1
193.12253	0.6
193.15935	2.1
195.13849	9.9
196.14267	0.9
205.12292	0.7
205.16071	0.4
211.13216	0.6
220.14645	2.4
221.15443	4.3
223.13377	7.0
224.13789	0.5
228.13602	1.1
229.20367	0.4
231.21060	0.4
236.10506	3.4
239.12598	0.5
249.18527	0.7
249.22177	0.8
256.13196	2.5
265.21692	0.7
275.17383	0.7
275.20169	7.8
276.20795	0.4
293.21225	100.0
294.21561	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55430	0.3
57.03315	1.4
59.01258	2.3
63.72535	0.3
68.02416	0.4
69.03339	0.4
69.16244	0.3
71.01255	1.1
71.07352	0.7
83.04876	0.4
83.15099	0.3
85.02811	0.4
93.03341	0.3
95.04896	0.4
97.06471	0.4
109.06498	0.3
111.08028	1.0
113.09608	4.0
121.10094	0.5
125.09682	0.4
129.68047	0.3
136.08858	1.9
149.09557	0.4
161.04485	0.3
162.72784	0.3
167.10718	1.1
169.12262	0.3
171.10162	0.6
177.09052	0.4
179.10762	0.4
179.14330	1.5
181.12271	0.4
185.11766	0.6
192.11534	1.7
193.15913	4.4
194.16423	0.3
195.13844	15.4
196.14354	0.9
205.12332	1.5
205.15926	0.8
211.13438	0.8
220.14613	2.7
221.15408	4.2
223.13344	9.8
224.13721	0.7
228.13643	1.7
231.21196	0.7
232.37537	0.3
235.13217	0.3
236.10521	2.9
239.12772	0.5
249.18581	1.7
249.22237	0.7
250.18634	0.3
250.69762	0.3
256.13235	3.0
257.13184	0.3
263.20135	0.3
265.21701	0.9
275.20157	9.5
276.20477	0.7
289.61661	0.3
293.21222	100.0
294.21579	7.5
310.91083	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.176
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98680	0.3
70.48684	0.9
71.01256	7.7
115.43676	0.3
127.07554	0.7
148.05173	1.4
151.07570	0.5
153.23796	0.3
154.98666	0.3
164.08372	1.3
177.09132	5.4
190.09923	0.3
192.11458	6.8
193.12111	0.6
205.12294	7.7
206.12598	0.6
207.13823	1.2
217.08633	0.7
218.09425	2.1
220.14639	51.0
221.15414	100.0
222.15755	6.0
235.13365	1.3
236.10501	65.7
237.10880	3.7
253.14220	0.3
293.14307	0.5
293.17563	6.0
293.21173	1.4
294.17703	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.212
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
52.25502	1.0
56.70160	1.2
59.01255	3.6
69.38688	10.6
77.35249	1.2
96.95856	1.2
98.05994	1.0
98.19788	1.8
104.92478	1.2
111.08080	1.9
113.09629	2.0
125.09634	1.1
135.04439	1.1
179.14355	2.1
185.41507	1.2
195.13863	13.8
211.13422	2.2
221.15419	1.8
223.13377	10.7
228.13669	1.4
256.13123	2.6
265.21460	1.3
275.20212	9.3
293.21231	100.0
294.21530	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	293.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	2.1
57.03317	2.0
58.00466	5.7
59.01254	100.0
69.63159	1.1
70.87711	2.5
70.88083	2.7
71.01258	62.0
72.99189	7.7
73.02802	2.7
83.01260	3.1
85.02832	12.1
85.06463	3.9
87.84921	1.2
89.01756	3.3
89.02321	66.5
92.66595	1.3
95.01250	4.5
99.00758	1.5
101.02330	38.4
113.02345	21.1
113.05956	8.2
113.94336	1.3
119.03394	28.6
131.03369	2.0
131.07054	15.3
143.03366	1.8
161.04451	2.3
185.02217	1.4
293.12433	94.7
294.12802	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.7
57.62053	1.4
58.00462	4.5
59.01254	100.0
66.74630	1.5
70.30138	3.9
70.30502	3.3
71.01257	70.8
72.00768	1.8
72.99187	6.4
73.02819	1.7
75.00735	1.7
83.01263	3.7
84.87256	1.5
85.02829	13.4
87.00771	4.5
89.02319	84.2
95.01252	5.2
98.44426	1.5
101.02325	33.3
110.12941	1.6
113.02341	23.1
113.05978	48.3
114.06315	1.6
119.03393	32.8
127.05005	4.3
128.03438	15.0
131.07039	6.3
140.24014	1.6
143.03366	4.3
147.04440	4.1
149.04417	2.0
161.04459	2.1
164.07047	5.2
179.05525	4.6
223.25928	1.6
257.09436	2.5
275.10291	2.0
293.12476	10.6
293.20914	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	293.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.5
57.03324	2.1
58.00471	5.3
59.01252	100.0
59.82734	0.9
60.01564	1.2
66.92359	1.0
70.29826	2.7
71.01254	53.0
72.99175	5.5
73.02818	1.4
73.90212	0.8
78.48190	0.9
80.92728	0.9
81.50245	0.7
83.01257	2.9
85.02821	11.2
87.00774	2.1
89.02317	58.6
95.01260	2.0
98.20580	0.8
99.00689	0.9
101.02326	20.3
113.01613	1.3
113.02345	16.2
113.05970	35.7
114.06353	1.5
119.03397	18.8
131.03424	1.7
132.06569	2.3
133.02849	1.9
135.04410	4.1
140.68086	0.9
143.03394	1.5
149.04443	1.4
161.02431	4.2
161.04492	2.5
176.03441	1.0
179.03433	2.0
179.05527	3.5
232.79755	0.9
273.77151	0.9
293.12350	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	293.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71255	1.5
55.77583	1.7
57.43153	1.7
58.00463	4.9
59.01251	100.0
69.82765	11.2
70.22263	1.7
71.01253	69.1
72.99174	4.6
83.01265	2.0
85.02833	14.3
87.00745	2.7
89.02316	86.7
91.67175	1.6
95.01273	4.1
98.20462	2.5
101.02319	30.7
113.02336	21.6
113.05967	42.5
119.03392	34.3
124.28254	1.8
125.39404	1.5
131.03438	2.2
131.07050	6.0
132.06526	3.4
133.02844	2.2
135.04407	8.3
139.91386	1.7
143.03334	3.7
161.02359	12.8
161.04405	2.5
176.03345	2.3
179.03427	9.1
179.05527	5.9
293.12369	10.3
294.09955	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	293.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74946	0.3
59.00949	0.6
59.01251	13.1
69.03323	0.3
70.16782	1.3
71.04893	0.3
83.04860	0.4
93.62000	0.3
95.04869	0.6
96.95878	0.7
108.61635	0.3
114.58480	0.3
135.04440	0.3
145.47588	0.3
155.10655	0.7
165.12787	1.3
167.10747	0.7
167.14276	0.7
178.27406	0.3
183.13863	9.0
184.14197	0.6
193.12262	2.1
205.12151	0.4
211.13345	100.0
212.13669	5.9
213.84853	0.3
221.15405	0.6
233.11552	12.5
234.11899	0.6
260.75775	0.3
275.16446	1.5
288.51422	0.3
293.13751	3.9
293.17120	0.5
293.21222	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	3.8
57.80900	3.3
59.01251	76.3
70.99006	2.9
71.01251	79.2
71.15551	7.4
71.15905	3.8
73.02825	35.4
83.01270	4.7
85.02834	23.0
89.01815	5.6
89.02323	61.6
91.49377	3.0
98.19880	4.1
99.00772	8.5
101.02323	41.7
103.03876	9.2
113.02344	29.5
119.03380	21.8
121.19925	3.3
127.00256	8.1
131.03398	63.3
140.53703	3.1
143.03415	10.1
150.12213	3.3
161.04436	19.3
193.49913	3.6
233.06490	3.9
293.05621	6.4
293.08810	100.0
293.12057	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	3alpha-Hydroxy-11beta,13-dihydrodeoxymikanolide
Peak:m/z	Relative Intensity
57.03317	7.3
59.01258	7.7
65.20416	4.9
71.01246	9.1
71.05659	10.1
73.92868	3.7
79.05399	5.4
80.96378	6.9
83.04893	4.4
85.02819	10.2
95.01259	4.3
95.04883	12.1
97.02823	25.3
98.73563	3.8
100.92319	4.6
107.04876	8.3
109.02850	21.4
109.06465	16.8
111.00767	5.2
111.04390	24.3
121.06477	10.0
122.03618	71.5
124.05185	44.5
125.02339	7.0
125.05978	8.9
135.04395	15.5
135.07985	4.6
136.05188	8.3
137.06006	27.4
138.06783	25.0
139.07542	100.0
147.08084	6.8
149.06001	5.1
163.07568	5.1
163.11128	6.9
171.08119	5.5
172.08839	7.4
187.11226	87.1
188.11552	6.0
189.09166	5.2
190.09883	15.0
205.12276	55.1
206.12610	5.2
219.37317	4.8
221.15430	4.6
231.10249	16.5
249.11339	32.7
293.10419	38.4
299.95282	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	293.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	6.4
64.59026	2.0
69.53350	11.9
69.53755	5.5
71.01252	21.5
72.00776	9.2
73.02820	4.6
82.02873	2.6
84.04421	3.6
85.04189	2.1
89.02332	3.8
93.06986	5.0
95.04907	3.1
99.05504	2.4
100.00236	2.9
101.02311	2.7
106.04126	5.5
109.03936	7.4
113.05952	9.0
121.06468	5.8
125.02306	2.9
127.05012	23.1
128.03426	100.0
133.10176	2.8
134.03610	3.4
141.01814	13.7
145.10143	16.5
147.04414	27.4
147.08028	3.3
149.06010	17.2
156.55576	2.1
157.06487	5.3
159.11743	2.7
161.09625	5.4
162.05434	2.4
164.07080	58.0
165.07530	2.6
171.08044	6.2
172.08847	13.9
175.07549	8.5
175.11218	4.3
177.12773	3.3
178.28195	2.3
187.11218	37.2
190.09920	3.8
205.12262	28.4
222.08841	10.9
249.11273	23.2
257.09232	7.3
271.13309	2.3
275.10474	14.7
297.34579	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	293.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02844	2.2
59.01252	8.8
70.15620	4.9
71.01253	10.0
72.00783	10.2
72.99178	1.0
74.02330	2.8
82.02850	3.5
84.04420	2.9
85.02812	1.6
86.02352	1.1
89.02316	5.0
89.96301	0.9
93.06976	2.1
94.38824	1.0
98.20469	1.1
99.05534	1.7
101.02302	2.1
101.07068	1.1
106.04118	1.7
109.03957	8.8
113.02316	1.9
113.05959	3.8
114.76655	1.0
118.06437	1.4
119.03390	0.9
121.06472	2.2
122.04763	1.4
124.02657	2.1
125.02305	1.4
126.55532	0.9
127.05025	28.6
128.03424	100.0
129.03755	2.5
130.83679	1.0
141.01848	5.8
145.10124	3.5
147.04417	29.8
147.07976	1.1
148.04765	2.0
149.05974	4.3
161.09575	2.1
164.07074	59.6
165.07381	2.9
172.08833	4.4
185.07004	1.2
187.11208	8.2
205.12242	5.0
213.10265	3.0
222.08928	2.5
249.11237	5.0
257.09256	9.3
267.19217	1.1
275.10339	14.5
293.11417	4.6
297.02435	1.0
307.53232	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1967
Annotation	Etherolenic acid
Peak:m/z	Relative Intensity
57.01979	1.7
59.01228	5.7
59.37439	1.6
61.12420	1.6
68.38555	1.6
71.01250	2.9
73.02818	5.7
78.32790	1.7
88.96640	1.7
97.06468	85.1
98.06791	2.7
108.78841	2.0
111.08083	2.4
121.02840	3.8
121.10109	3.0
125.09612	2.1
137.09630	2.0
162.32959	2.0
162.75505	1.8
171.10199	33.1
173.08823	2.0
183.13762	2.8
185.11778	2.6
187.69064	2.0
193.12277	25.8
194.12801	2.6
209.04475	3.4
211.13354	59.7
211.15399	2.9
212.13646	4.5
229.64949	2.4
245.76826	1.9
263.20163	6.4
267.55579	1.9
273.18506	3.4
291.09052	3.7
291.19675	100.0
292.19983	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	292.192
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02852	1.0
59.01243	1.7
62.35315	0.4
68.02408	1.2
70.04108	1.6
71.01259	0.9
79.95578	0.5
98.20164	1.0
120.32049	0.4
121.02866	0.5
121.10115	0.5
128.33655	0.5
128.88052	0.4
156.13847	100.0
157.14198	4.7
192.11467	0.5
200.12836	6.3
201.13126	0.6
205.12187	0.9
220.14671	3.9
221.15413	7.8
233.86229	0.5
236.10516	5.9
262.33377	0.4
285.90417	0.5
292.19992	4.6
293.12082	0.7
293.17642	1.3
293.21179	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	292.1919
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
57.03337	1.2
58.02847	0.8
59.01254	3.5
68.02399	1.1
71.00642	1.1
71.00935	0.7
71.01261	1.1
71.04906	1.0
93.03361	0.9
108.04481	0.8
112.04720	0.6
122.03162	0.8
122.14809	0.6
125.09583	1.3
150.70877	0.7
152.91652	1.3
156.13847	100.0
157.14198	5.2
177.09200	0.7
185.11752	3.3
194.92712	1.2
197.11835	0.9
200.12801	6.0
216.96989	0.7
219.76308	0.7
220.14644	3.9
221.15398	8.4
236.10504	7.0
274.18933	0.8
280.69608	0.6
292.19958	11.5
292.22876	1.1
293.12210	0.9
293.18002	1.5
293.21213	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0668
Annotation	Vittarilide B
Peak:m/z	Relative Intensity
50.60882	0.3
53.77903	0.4
59.01246	1.0
70.01199	0.3
71.01256	1.6
71.07629	0.5
72.99189	0.4
73.02822	2.4
83.01290	0.3
92.39588	0.3
99.00758	0.4
101.02302	0.4
107.04927	0.9
109.02839	0.4
117.70083	0.4
125.64944	0.4
126.22277	0.3
128.96667	0.4
131.03406	0.5
132.02072	1.0
133.02852	14.8
134.03687	4.5
135.04417	100.0
136.01512	0.4
136.04771	2.8
137.02328	0.5
158.93181	0.3
161.02353	30.2
162.02737	1.4
172.72676	0.3
178.02640	0.4
179.03423	91.7
180.03790	3.5
293.06720	4.6
305.46341	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.088
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
55.01744	2.9
58.00469	4.2
59.01253	90.7
66.24020	3.2
69.03327	8.5
69.47144	3.3
69.47552	18.5
71.01254	89.7
72.81711	2.5
72.99164	4.0
73.02813	38.8
81.03337	5.9
83.01247	6.9
85.02810	16.5
87.00726	3.3
89.02317	100.0
95.01262	4.4
96.45582	2.4
97.02835	18.0
99.00752	44.5
99.04453	2.3
101.02328	36.5
102.29209	2.3
109.02892	2.7
113.02319	7.8
115.03881	10.5
119.03315	2.6
121.02850	3.0
124.15113	2.8
125.01439	3.6
125.02345	50.0
131.03378	7.0
143.03439	6.0
149.04491	4.1
161.04482	4.4
191.05522	8.3
213.79797	3.2
224.98305	2.6
233.06580	14.6
275.09320	2.9
293.10040	4.5
314.96393	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	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.9
59.01240	0.6
70.26900	1.9
93.06990	1.2
97.06465	2.3
99.98843	0.7
121.10130	15.1
123.08070	0.8
125.09626	7.9
141.12755	0.8
144.03767	0.6
147.08025	0.9
185.11761	16.3
186.12102	0.9
197.11848	3.5
209.11786	1.8
211.13412	1.8
223.13318	1.1
236.17900	0.6
247.13466	1.0
247.20711	1.8
273.18750	1.2
284.72165	0.6
291.19662	100.0
292.19998	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	291.1967
Annotation	12-OPDA
Peak:m/z	Relative Intensity
51.56013	0.7
69.26878	7.3
98.19807	1.1
102.83489	0.7
120.05390	0.7
125.05941	0.9
131.19894	0.8
147.70599	0.7
150.10397	1.1
163.11205	0.8
165.12766	21.4
166.13136	0.8
175.11250	0.9
215.89449	0.8
223.51334	0.9
225.37193	0.8
247.20631	9.5
273.18671	6.5
291.19672	100.0
292.19992	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
51.34065	0.4
68.02408	0.4
69.45766	3.2
73.02820	60.9
74.03147	0.9
110.11182	0.4
110.13381	0.4
114.44236	0.4
121.02856	0.5
121.10173	0.5
130.43773	0.4
130.51866	0.4
209.04530	0.8
216.24997	0.4
290.82556	0.5
291.19659	100.0
292.19992	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	291.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	2.3
59.01233	1.4
69.03333	0.9
70.96339	1.3
71.01219	0.5
71.04893	1.0
83.87160	0.5
87.18858	0.5
93.03358	0.5
93.06953	2.0
94.85297	0.5
97.06489	2.4
111.08057	0.5
119.08546	3.7
121.02820	1.6
121.09273	0.9
121.10119	14.5
123.08044	1.0
125.09608	7.9
126.42873	0.5
131.59657	0.4
137.02327	0.5
137.09598	0.5
141.12733	1.3
147.07954	1.2
163.11147	0.8
165.12802	0.9
171.10199	4.1
185.11754	15.6
186.12071	0.8
197.11787	4.3
199.13300	0.5
209.04510	1.4
209.11797	2.3
211.13344	1.9
223.13306	1.0
229.19568	2.2
247.13327	1.0
247.20599	2.7
255.27585	0.5
273.18619	4.9
273.85745	0.5
281.50937	0.5
289.18045	0.6
291.19656	100.0
292.19995	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	291.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.5
57.06231	0.4
59.01254	2.7
67.30666	0.4
69.41474	3.4
69.41886	0.8
71.04893	0.6
83.04889	1.2
85.31012	0.5
95.04923	1.3
98.19682	0.6
109.06510	0.7
111.08044	13.6
112.08366	0.6
121.10126	0.6
123.08054	0.5
137.09596	1.3
149.09621	1.1
167.10675	2.5
169.12231	0.5
177.12753	2.7
179.10692	2.6
185.11711	0.9
195.13852	7.4
196.14290	0.5
221.11694	0.5
232.34276	0.5
247.20673	3.2
273.18570	2.5
287.41455	0.5
291.19672	100.0
292.20001	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	291.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31475	0.4
71.08660	0.6
71.08978	0.7
93.40910	0.4
97.06458	1.6
108.06971	0.4
121.02816	1.2
122.03595	1.8
123.04404	0.6
135.04428	7.3
138.03084	0.6
143.04901	1.5
143.95692	0.4
145.02846	0.5
146.03645	4.2
147.04436	5.2
149.04846	0.7
149.05995	11.2
150.06363	0.8
151.07553	4.9
152.07901	0.4
159.04427	9.4
160.05099	0.7
161.02426	0.4
161.05998	12.3
162.06606	1.4
163.07542	1.5
165.09154	0.6
171.04448	9.7
172.04965	0.7
173.05971	1.2
174.03120	2.4
174.06792	0.8
175.03969	3.1
175.07562	12.9
176.07988	0.9
185.05974	0.7
187.03969	3.2
187.07570	3.7
188.04680	1.7
189.05507	39.5
189.09061	4.8
190.05898	1.8
190.09898	0.8
191.07126	0.9
200.47932	0.4
201.09137	1.4
202.06276	0.5
202.09868	0.7
203.07109	11.9
203.10666	0.9
204.07880	4.7
205.08318	0.5
205.12169	1.0
215.07114	0.6
217.08670	1.7
218.09433	4.5
219.09683	0.4
222.08827	0.6
229.08627	0.7
230.09445	46.8
231.09811	3.6
231.13901	1.0
241.12294	1.5
259.02512	1.3
259.13388	100.0
260.13699	7.0
273.14896	0.8
291.16031	25.4
292.16351	2.2
299.77109	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39898	0.1
59.01250	0.2
59.98103	0.2
60.97374	0.5
70.07951	0.3
70.08368	0.5
70.76820	0.1
74.98962	0.8
74.99297	0.1
79.95600	0.4
93.00013	1.1
93.62943	0.1
111.08144	0.2
121.02825	1.0
121.10104	0.3
134.99237	0.3
136.97194	0.2
149.00865	2.3
161.06339	1.1
161.80576	0.2
185.11674	0.3
192.98051	1.1
193.98022	0.2
206.99643	0.6
209.01201	4.1
209.04472	0.4
210.01175	0.4
210.99139	0.6
217.07126	2.0
225.00743	1.0
247.20627	0.2
275.05954	0.5
275.70798	0.2
289.07553	3.3
290.07578	0.4
291.09100	100.0
291.19699	3.5
292.09216	11.5
292.19968	0.2
309.10184	2.8
310.10019	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70276	0.3
57.03326	9.0
60.48950	0.3
63.02271	0.4
65.00192	2.7
67.01770	0.5
68.99669	0.4
69.03334	0.3
69.73753	0.3
71.01276	0.4
81.03336	1.8
83.01260	4.4
83.04910	0.7
85.02827	0.9
93.03343	0.8
95.01280	1.4
97.02834	0.6
107.01270	3.4
107.04931	1.1
109.02831	4.6
111.00776	0.9
111.04399	1.0
121.02850	0.8
121.06449	0.4
123.00803	0.8
123.04408	4.2
124.01572	0.6
125.02338	100.0
126.02676	3.0
127.03831	0.3
131.04965	0.3
133.02849	0.5
133.06509	1.8
135.00786	0.4
135.04405	0.7
137.02339	2.7
139.00293	0.7
139.03891	2.0
145.02850	0.5
147.00781	0.3
147.04399	0.7
149.02335	0.6
149.06046	0.3
151.00270	7.9
151.03885	1.8
152.00987	0.6
153.01874	3.1
155.03380	0.5
159.04417	0.7
159.06503	0.3
160.05249	0.4
161.02402	0.7
161.05975	0.8
163.00319	0.4
163.03920	0.9
165.01839	6.4
166.02611	1.4
166.99767	0.3
167.03419	7.4
169.01367	0.4
173.02405	0.3
173.05992	0.4
175.03848	0.8
177.01840	1.3
178.99789	1.9
181.01357	1.9
187.03957	0.4
189.01836	0.8
190.02667	0.6
191.03426	1.9
193.01395	1.4
195.02927	9.4
196.03180	0.4
201.05496	0.6
203.03394	0.9
203.07173	0.4
205.01357	0.5
205.05037	1.0
207.02966	0.9
211.03960	0.3
217.01382	0.6
217.04955	0.5
219.02950	1.1
219.93591	0.4
224.32501	0.3
227.03334	0.4
229.01401	0.4
229.05125	0.6
230.02054	0.6
231.02753	0.3
245.00826	0.5
245.04503	2.3
247.02394	0.9
247.06064	0.6
255.02943	0.5
263.01947	0.4
263.05508	0.6
273.00766	0.5
273.04047	5.1
291.01480	2.2
291.05066	14.4
292.05328	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80480	0.7
59.01251	100.0
60.01578	1.2
71.01253	4.0
71.57095	1.1
72.99195	1.2
73.02821	1.5
83.01266	1.4
85.02828	3.7
99.00795	1.4
100.01423	0.7
100.34809	0.9
101.02326	6.5
104.24021	0.7
113.02361	2.3
135.13403	0.8
137.57143	0.8
161.04485	2.4
187.09689	1.2
203.01804	0.7
231.08823	1.1
249.13397	6.2
266.10110	0.8
276.64578	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08263	0.5
57.03338	1.0
59.01260	4.3
59.61099	0.4
61.47229	0.4
64.68552	0.4
71.04878	0.6
71.13391	1.0
71.13736	0.7
80.02565	1.1
81.03329	1.2
83.04908	1.8
93.03336	1.1
93.53818	0.4
95.04903	1.7
96.62899	0.5
97.06470	1.2
106.04135	1.3
107.04882	0.5
109.05802	0.9
109.06480	8.7
111.08067	3.3
119.04899	0.9
119.08557	1.6
120.05711	0.6
121.06490	1.1
121.10049	0.5
123.08041	2.2
132.05753	0.6
133.06522	0.5
134.07220	0.5
135.08037	2.0
137.09608	2.2
143.10669	1.3
145.06473	2.5
149.09616	3.4
151.11186	4.9
159.08011	0.6
163.11212	0.9
166.27585	0.5
167.10681	1.6
175.11124	0.7
177.12772	2.0
179.10681	0.9
187.11206	0.6
191.14348	1.3
193.12267	1.1
195.13864	1.6
217.15895	1.1
245.19115	14.9
246.19444	1.2
247.16925	0.5
261.18570	1.3
271.17020	6.7
272.17361	0.6
273.14908	0.6
287.16452	2.5
289.18097	100.0
290.18420	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	291.051
Annotation	(-)-2,3-Dihydrocitromycetin
Peak:m/z	Relative Intensity
55.70276	0.3
57.03326	9.0
60.48950	0.3
63.02271	0.4
65.00192	2.7
67.01770	0.5
68.99669	0.4
69.03334	0.3
69.73753	0.3
71.01276	0.4
81.03336	1.8
83.01260	4.4
83.04910	0.7
85.02827	0.9
93.03343	0.8
95.01280	1.4
97.02834	0.6
107.01270	3.4
107.04931	1.1
109.02831	4.6
111.00776	0.9
111.04399	1.0
121.02850	0.8
121.06449	0.4
123.00803	0.8
123.04408	4.2
124.01572	0.6
125.02338	100.0
126.02676	3.0
127.03831	0.3
131.04965	0.3
133.02849	0.5
133.06509	1.8
135.00786	0.4
135.04405	0.7
137.02339	2.7
139.00293	0.7
139.03891	2.0
145.02850	0.5
147.00781	0.3
147.04399	0.7
149.02335	0.6
149.06046	0.3
151.00270	7.9
151.03885	1.8
152.00987	0.6
153.01874	3.1
155.03380	0.5
159.04417	0.7
159.06503	0.3
160.05249	0.4
161.02402	0.7
161.05975	0.8
163.00319	0.4
163.03920	0.9
165.01839	6.4
166.02611	1.4
166.99767	0.3
167.03419	7.4
169.01367	0.4
173.02405	0.3
173.05992	0.4
175.03848	0.8
177.01840	1.3
178.99789	1.9
181.01357	1.9
187.03957	0.4
189.01836	0.8
190.02667	0.6
191.03426	1.9
193.01395	1.4
195.02927	9.4
196.03180	0.4
201.05496	0.6
203.03394	0.9
203.07173	0.4
205.01357	0.5
205.05037	1.0
207.02966	0.9
211.03960	0.3
217.01382	0.6
217.04955	0.5
219.02950	1.1
219.93591	0.4
224.32501	0.3
227.03334	0.4
229.01401	0.4
229.05125	0.6
230.02054	0.6
231.02753	0.3
245.00826	0.5
245.04503	2.3
247.02394	0.9
247.06064	0.6
255.02943	0.5
263.01947	0.4
263.05508	0.6
273.00766	0.5
273.04047	5.1
291.01480	2.2
291.05066	14.4
292.05328	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1083
Annotation	Wentilactone B
Peak:m/z	Relative Intensity
59.01254	0.4
62.28422	0.5
63.73264	0.4
65.03834	1.8
66.91045	0.4
70.78851	1.1
71.24379	0.3
79.05396	0.9
80.30704	0.4
85.65556	0.4
107.04906	0.4
109.02845	0.7
109.06506	0.5
123.04408	1.5
125.02345	0.5
130.04097	0.5
135.04413	1.5
143.08588	0.6
146.03648	3.8
147.04439	2.6
148.05168	0.6
159.04430	6.9
160.04987	0.6
161.02327	1.2
161.05969	0.8
163.07593	1.1
167.08585	0.6
169.06601	0.6
172.05220	4.2
173.06041	2.7
174.06714	0.6
175.03973	0.8
180.05750	1.1
183.04393	2.8
183.08051	0.4
184.05183	4.3
185.05975	2.2
185.09625	1.1
186.06657	0.9
187.03952	3.7
187.07581	4.6
188.04803	0.4
194.07385	0.4
195.08084	0.8
196.05153	2.3
197.06015	36.0
198.06683	6.8
199.07428	0.9
200.04724	1.4
201.05501	4.8
201.09105	5.5
202.06030	0.7
203.10776	0.6
204.04286	0.7
205.01387	2.6
209.05960	0.6
211.07581	7.0
212.08206	0.9
213.09151	100.0
214.09474	6.6
215.07109	3.1
215.10632	2.2
216.11217	0.4
217.12250	0.5
220.03775	2.0
229.08708	3.1
230.09415	3.2
231.09984	0.5
245.04546	1.0
245.11809	26.4
246.12106	1.6
257.08063	0.5
289.07486	0.6
289.10812	19.8
289.17801	2.0
290.11136	1.2
290.15344	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1196
Annotation	Limazepine B1
Peak:m/z	Relative Intensity
50.85954	0.6
54.40300	0.6
57.03336	0.7
59.01250	0.6
59.50233	0.6
61.62060	0.5
63.81017	0.5
64.01805	1.2
65.25490	0.6
69.03341	0.7
69.49538	5.7
78.03339	0.7
80.04936	2.2
83.01257	1.2
85.02824	1.3
91.45866	0.7
92.04938	8.8
94.02865	0.9
94.06501	17.7
95.04909	1.4
97.02858	1.5
103.04152	1.3
104.04940	6.4
105.03329	5.4
105.05199	0.8
106.02894	1.6
106.06508	53.0
107.03617	3.0
107.06857	1.8
108.04443	5.3
109.02847	6.2
120.04444	19.0
121.02874	0.9
121.05296	5.5
122.02380	1.7
122.06011	49.3
123.03154	8.5
123.04416	4.6
123.06361	1.4
124.03933	1.0
124.07569	2.7
125.02300	3.4
131.03662	2.8
132.04453	13.0
135.03241	1.6
136.03949	2.2
136.07515	0.7
137.02359	2.1
138.05508	95.1
139.03935	0.6
139.05862	3.6
140.07091	3.7
144.08076	0.9
147.03191	0.9
148.03932	5.0
149.02321	1.1
150.05513	27.3
151.03911	2.2
151.05812	0.8
158.06078	0.9
158.09621	1.4
159.04449	0.8
159.06790	3.5
161.05948	1.3
166.05000	6.9
168.06572	0.8
172.07576	1.5
173.08368	2.6
174.12828	3.9
179.03439	1.0
184.11241	2.2
186.09200	0.9
187.03975	1.5
187.09918	1.0
188.07050	3.1
189.07913	9.3
190.08197	0.8
197.07124	2.4
198.07932	1.4
199.05118	0.9
200.05811	1.0
202.08711	1.5
202.12280	9.2
203.07085	2.8
203.09395	3.3
205.05005	2.0
212.06165	0.9
212.09567	1.5
213.06616	4.5
213.10104	0.7
214.07376	1.2
215.11855	9.7
217.07379	18.3
217.09323	1.2
218.07787	1.2
218.11850	1.5
221.08229	1.3
224.28619	0.6
225.10345	1.1
226.07428	2.4
227.08115	2.0
227.11879	3.3
228.08813	3.9
229.09705	3.0
231.08978	9.1
231.11362	3.4
232.11835	0.6
241.06226	1.4
241.09801	15.2
242.06984	1.0
242.10208	2.0
243.11354	15.1
245.08115	3.6
246.11345	9.8
247.11708	0.9
253.09845	1.3
256.08478	1.9
259.10883	8.4
271.10870	27.4
272.11261	2.4
289.07288	11.6
289.11935	100.0
290.07520	1.0
290.12234	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	289.0717
Annotation	Corynether A
Peak:m/z	Relative Intensity
50.68142	0.8
50.78297	0.6
57.03322	7.1
67.69644	0.8
69.03319	2.0
71.39001	1.4
73.44018	0.8
74.97697	0.7
80.02560	1.5
81.03333	6.6
83.01257	8.4
85.02830	0.9
91.58404	0.7
92.99747	0.7
93.03323	4.0
95.01263	1.5
95.04897	8.0
97.02831	16.3
98.03202	0.9
103.09203	0.7
107.04874	0.9
108.02062	2.7
109.02839	55.4
110.03155	1.6
111.04376	0.8
117.03391	0.7
121.02844	6.6
122.03629	2.3
123.04411	39.7
124.04726	1.1
125.02338	33.8
127.44373	0.8
133.02863	0.8
133.06487	0.9
135.04427	5.3
137.02344	19.9
138.03094	1.5
139.03894	9.4
144.51093	0.9
145.02864	3.1
146.03632	2.2
147.04407	1.6
149.02347	7.7
150.03099	2.6
151.03918	18.7
157.06456	0.8
159.04440	6.7
160.05171	3.2
161.02351	2.1
161.05991	11.6
162.03157	4.1
163.03883	2.9
164.01039	6.4
165.01823	7.5
166.02527	1.1
167.03391	8.0
173.06033	1.8
174.03085	0.9
175.03960	4.2
175.07542	4.5
177.05479	1.9
179.03427	14.5
183.08128	0.8
185.06035	1.1
187.03954	8.0
188.04698	8.1
198.43594	0.8
199.07573	1.2
201.05498	2.0
202.06194	4.7
203.03505	1.4
203.07062	24.6
204.07393	1.6
205.05002	18.2
206.05307	1.1
212.04776	1.2
217.08694	2.0
220.58409	0.7
221.08124	7.8
227.07123	4.4
229.04948	0.9
230.05714	1.2
231.03030	1.2
245.08159	42.6
246.08490	2.6
247.06029	2.2
271.06204	2.5
289.07199	100.0
290.07480	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	289.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03469	4.7
57.02840	4.4
58.02851	21.5
59.01243	7.2
70.02848	13.8
71.54837	5.4
72.00779	4.9
74.02342	100.0
82.76871	4.4
97.02874	4.4
98.02332	16.2
98.19735	11.2
109.02816	9.3
116.03429	22.4
116.04961	34.6
120.31037	4.3
121.02848	4.6
125.02325	8.7
126.84695	5.1
141.51988	4.1
143.12541	4.1
149.84323	5.0
159.09174	7.8
161.02225	4.4
163.00261	4.3
183.09201	5.9
186.05486	6.5
189.71431	4.9
201.10252	7.9
203.08243	74.7
204.08533	7.4
204.48680	4.9
229.69278	7.7
245.09302	75.1
247.15439	6.2
288.99893	6.2
289.03387	7.0
289.07114	10.9
289.10175	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0719
Annotation	Corynether A
Peak:m/z	Relative Intensity
57.03326	8.3
59.01275	0.9
67.01765	0.8
68.39468	0.7
68.67451	0.7
69.03325	2.9
71.01271	0.8
71.59157	0.8
71.59600	1.3
80.02552	0.9
81.03336	8.2
83.01258	10.6
85.02822	0.9
93.03343	4.5
95.01261	2.8
95.04901	10.0
96.95805	1.1
97.02832	15.2
99.04375	1.5
107.04927	1.7
108.02058	3.3
109.02837	63.1
110.03163	1.0
117.03313	1.1
118.66444	0.8
120.67265	0.8
121.02864	8.5
122.03616	2.9
123.00785	1.1
123.04411	44.4
124.01621	1.0
124.04785	1.5
125.02335	37.9
126.02728	1.1
133.02798	1.0
135.04384	6.5
137.02345	19.8
138.03110	1.7
139.03918	9.4
141.01871	1.2
145.02882	2.8
146.03589	2.3
147.04497	1.3
149.02338	9.4
150.03133	2.9
151.02809	1.5
151.03914	19.7
157.06490	1.5
159.04459	6.6
160.05197	2.5
161.02357	3.1
161.05992	11.6
162.03133	3.6
163.03880	2.9
164.01083	6.9
165.01822	8.2
166.02690	1.0
167.02107	1.4
167.03418	17.9
173.05960	3.2
174.03160	1.2
175.03882	3.7
175.07549	3.6
177.05409	1.7
179.03418	12.8
183.04388	1.8
185.05968	2.1
187.03937	10.7
188.04723	8.3
197.06012	0.8
199.07593	2.3
201.05423	2.0
202.06302	4.8
203.03639	0.9
203.07066	26.9
204.07474	1.0
205.04996	17.0
206.05241	1.5
212.04721	1.3
217.08731	1.1
221.08160	7.8
227.07106	3.7
229.05022	1.4
239.10791	2.7
245.08154	44.8
246.08530	4.5
247.06128	3.1
271.06097	2.3
289.07181	100.0
290.07599	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	289.0718
Annotation	Corynether A
Peak:m/z	Relative Intensity
57.03321	7.0
59.01261	0.7
63.07986	0.5
67.01747	0.7
69.03333	1.6
69.23746	5.9
71.33167	0.4
72.87488	0.5
80.02544	1.2
81.03331	6.9
83.01258	7.4
85.02826	0.6
91.05392	0.5
93.03339	3.3
95.01273	1.6
95.04897	9.5
97.02828	17.9
99.04375	1.0
105.03343	0.5
107.04922	1.5
108.02051	2.1
109.02835	60.5
110.03170	1.7
111.04401	0.8
117.03356	0.7
120.02077	0.7
121.02850	6.9
122.03648	2.7
123.04410	41.8
124.01569	0.9
124.04755	0.9
125.02337	34.5
126.02675	0.7
131.04910	0.6
133.02858	1.3
134.03593	0.5
135.04434	4.8
137.02347	20.4
138.03116	1.8
139.03915	8.2
143.04945	0.5
145.02806	2.6
146.03619	2.9
147.04439	1.3
149.02339	10.6
149.05981	0.6
150.03169	3.4
151.03911	19.2
157.06517	0.8
158.03572	0.5
159.04408	6.4
160.05167	3.2
161.02391	2.9
161.05998	9.8
162.03151	3.3
163.03905	3.0
164.01053	7.0
165.01846	8.4
166.02518	1.4
167.03442	3.5
173.02316	0.7
173.05989	2.3
174.03123	1.5
175.03912	4.3
175.07544	3.8
177.05466	1.9
179.03421	13.4
179.29715	0.5
184.76282	0.5
185.06003	1.9
187.03934	8.7
188.04700	8.0
189.01794	1.3
189.05188	0.6
192.32295	0.5
199.07571	1.4
201.05490	1.3
202.06297	4.3
203.07088	25.1
204.07306	1.1
205.05002	16.4
206.05316	0.6
212.04659	1.4
217.04999	1.2
217.08603	1.1
221.08122	9.5
221.10268	0.6
227.07074	4.4
229.05099	0.6
230.05782	1.4
231.02956	1.7
245.08157	43.0
246.08545	2.5
247.06087	2.7
261.00211	0.8
271.06088	1.9
289.07172	100.0
290.07516	7.1
304.76123	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	8.6
69.03297	1.3
69.72375	1.8
69.72788	4.0
80.02552	1.9
81.03326	6.8
83.01254	8.2
93.03352	4.4
95.01270	2.3
95.04906	9.9
97.02832	17.9
99.04365	0.9
101.01114	0.9
107.04867	1.3
108.02068	2.6
109.02839	62.8
110.03158	1.5
111.04400	1.2
117.03357	1.2
121.02831	6.7
122.03649	4.1
123.04417	45.2
124.04765	1.4
125.02337	35.9
135.04431	6.4
137.02348	21.9
138.03101	2.5
139.03906	7.2
145.02861	3.0
146.03621	3.2
147.04388	1.8
149.02374	8.4
149.06117	1.3
150.03162	2.0
151.03920	19.7
157.06496	1.4
159.04425	7.9
160.05168	3.9
161.02328	1.9
161.05994	11.1
162.03154	3.6
163.03886	4.1
164.01057	8.0
165.01849	7.9
166.02571	1.3
167.03407	3.5
173.06017	4.0
174.03108	1.3
175.03940	4.6
175.07570	4.6
177.05542	2.5
179.03432	13.8
185.05978	1.2
187.03937	8.7
188.04727	7.9
199.07495	1.8
201.05530	3.1
202.06267	3.6
203.07076	24.0
204.07446	1.0
205.05005	18.7
212.04779	1.3
217.08591	1.5
221.08167	7.7
222.08658	1.3
227.07121	4.6
230.05609	1.2
245.08168	41.7
246.08539	2.8
247.06145	1.4
271.06177	2.1
289.07184	100.0
290.07571	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	289.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79296	0.6
57.03317	6.1
58.57631	0.5
59.00037	0.7
66.86204	0.6
69.03324	1.5
71.27858	1.4
80.02530	1.2
81.03333	5.8
83.01254	7.0
93.03326	3.4
95.01253	1.1
95.04903	8.3
97.02242	1.1
97.02828	15.3
99.04375	1.6
107.04893	1.0
108.02051	2.0
109.02834	55.8
110.03146	1.5
111.00738	0.7
121.02844	6.5
122.03633	3.5
123.04405	36.1
124.01556	0.7
124.04697	1.2
125.02334	35.2
126.02677	1.0
135.04431	4.6
137.02350	19.5
138.03104	1.8
139.03906	8.5
145.02840	2.7
146.03610	2.7
147.04367	1.3
149.02348	9.6
149.06012	0.7
150.03108	2.8
151.03908	20.0
152.04221	1.1
157.06387	0.9
159.04427	5.4
160.05246	3.0
161.02344	2.5
161.05989	10.6
162.03149	3.2
163.03914	2.9
164.01054	7.1
165.01837	7.7
166.02600	1.2
166.91368	0.7
167.03415	4.4
173.02322	0.8
173.05937	1.8
174.03133	1.0
175.03958	4.8
175.07568	4.4
177.05476	1.5
179.03436	14.1
180.03876	0.9
185.06046	1.1
187.03918	8.9
188.04710	6.4
199.07542	1.1
201.05464	2.4
202.06313	4.3
203.03285	0.9
203.07071	26.4
204.07382	1.8
205.04994	17.2
206.05276	0.9
212.04718	1.4
217.05020	1.2
217.08641	1.2
221.08150	8.8
222.08713	0.6
227.07101	4.2
229.04916	0.8
230.05836	1.3
231.02992	1.5
245.08156	45.4
246.08434	3.5
247.06104	2.4
253.78775	0.8
271.02994	0.7
271.06180	1.0
272.02682	0.7
289.07172	100.0
290.07486	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	289.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59552	1.5
52.70992	1.5
56.54582	1.4
57.03315	6.5
57.03574	1.4
59.01250	2.4
69.68071	11.3
69.88254	1.5
72.03035	1.4
81.03329	6.9
83.01247	8.4
93.03322	4.6
95.01235	3.1
95.04913	9.8
97.02832	19.0
98.20518	2.6
107.04897	1.7
108.02041	1.7
109.02843	58.9
110.03139	2.0
121.02835	8.4
122.03642	4.0
123.04417	46.6
125.02349	41.7
126.02566	1.8
135.04414	5.8
137.02364	24.8
138.03137	2.8
139.03908	8.7
143.04936	1.4
144.48622	1.5
145.02788	2.6
146.03581	2.7
149.02383	11.1
149.05882	1.7
150.03146	2.5
151.03929	25.6
159.04387	5.8
160.05202	3.2
161.02379	3.0
161.06012	8.9
162.03105	4.1
163.03876	1.7
164.01099	7.4
165.01929	7.9
167.03430	4.9
174.03270	2.6
175.03889	3.4
175.07568	5.3
177.05515	2.7
179.03452	16.1
185.05991	2.4
187.03973	9.4
188.04680	8.7
201.05510	2.3
202.06271	5.6
203.03487	2.2
203.07108	23.7
204.07375	2.2
205.04993	19.1
221.08112	10.0
227.07121	5.3
245.08170	49.6
246.08530	3.3
247.06142	2.7
271.06100	3.3
289.07187	100.0
290.07571	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	287.1503
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
55.61238	0.4
57.03322	1.3
58.87702	0.4
59.01252	100.0
59.12432	0.3
60.01586	0.5
60.99174	0.6
69.40096	3.3
69.40506	0.9
97.06488	0.8
99.04395	1.6
125.02331	2.9
135.04405	1.7
135.68047	0.4
141.26218	0.4
151.00267	0.5
161.02301	0.6
165.12749	1.6
167.10684	0.6
207.13826	3.1
208.14105	0.4
209.11787	7.3
225.14912	7.3
227.12840	55.8
228.13187	2.8
251.12854	1.5
269.13940	13.8
270.14291	1.2
287.14999	72.0
288.15311	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	287.2229
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
57.03309	0.5
59.01236	0.7
60.09497	0.2
64.72635	0.2
69.27113	2.9
69.48024	0.2
71.01302	0.3
95.04928	0.3
97.06435	0.4
99.08043	2.0
107.04933	0.2
109.02811	0.4
109.06468	1.0
120.08801	0.2
121.02848	0.6
121.06512	0.3
123.08025	0.5
125.02326	1.9
127.59444	0.2
129.09105	0.9
141.12767	2.2
150.03258	0.3
155.14319	0.8
162.06721	0.3
189.12761	0.4
211.20508	0.3
241.21706	1.4
243.17554	2.0
255.02979	0.5
269.21179	3.0
285.20728	2.0
287.16708	4.3
287.22275	100.0
288.17200	0.5
288.22626	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	288.1607
Annotation	Mesembrine
Peak:m/z	Relative Intensity
59.01238	1.1
68.57143	0.4
71.59101	0.7
76.69219	0.3
79.85733	0.4
81.03329	1.5
92.04921	1.0
93.03339	2.2
107.03643	0.6
108.02055	0.6
108.04438	5.3
109.02827	5.9
119.08543	1.0
121.02881	0.5
121.06461	0.4
124.01522	0.5
125.05975	0.7
134.02376	42.3
135.03198	8.7
136.03943	45.7
137.02361	2.1
137.04276	1.0
148.03932	0.9
149.04724	1.1
176.03474	4.9
177.04149	0.6
190.04991	0.9
199.14574	0.3
204.06685	0.5
245.15402	0.4
252.38869	0.4
260.16525	0.4
277.63480	0.4
288.16055	100.0
289.16699	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	289.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	5.9
69.03312	1.3
81.03341	5.0
83.01265	5.9
93.03324	4.1
95.01268	1.2
95.04892	8.2
97.02834	11.6
98.19807	1.7
100.43401	0.8
107.04838	1.2
108.02037	2.6
109.02836	45.7
110.03137	1.2
121.02827	5.0
122.03618	4.0
123.04407	32.6
124.04774	1.1
125.02335	30.0
126.02567	1.1
133.02809	1.1
135.04373	3.6
137.02345	20.8
138.03111	1.6
139.03940	6.8
145.02815	2.8
146.03609	1.9
148.92041	0.9
149.02341	6.8
150.03107	1.9
151.00307	1.0
151.03908	16.5
155.24866	0.9
159.04463	4.6
160.05171	2.5
161.02365	1.5
161.05983	8.5
162.03105	2.8
163.03914	2.0
164.01102	4.4
165.01842	7.7
166.02605	1.0
167.03477	2.2
173.06027	2.2
174.03050	1.3
175.03915	3.6
175.07526	2.4
179.03412	12.4
185.05957	1.9
187.03957	9.2
188.04703	6.3
201.05557	2.1
202.06274	3.9
203.07076	20.3
204.07501	1.3
205.04987	15.8
217.05113	1.4
221.08092	6.7
227.06992	2.4
245.08142	38.8
246.08476	2.7
249.85983	0.9
271.06299	1.1
289.07169	100.0
290.07532	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	287.0927
Annotation	2',4',alpha-Trihydroxy-4-methoxydihydrochalcone
Peak:m/z	Relative Intensity
59.01250	0.7
64.67609	0.3
65.03833	9.7
67.01760	2.7
71.01258	0.8
80.02533	0.3
91.01776	0.4
93.03335	0.6
99.60062	0.3
99.79552	0.2
107.01286	2.3
108.02063	3.2
109.02837	100.0
110.03159	3.2
121.02835	1.0
121.76955	0.3
122.03622	0.6
123.00755	0.6
124.01578	0.3
125.02357	0.9
133.02867	2.0
135.00771	0.8
136.01572	5.3
137.02350	5.2
145.02838	0.4
148.01569	9.0
151.03964	0.4
161.77611	0.2
162.01898	0.5
162.03152	7.1
165.01833	1.8
166.02582	0.8
177.01854	1.1
177.05493	9.9
178.05821	0.5
210.06799	0.6
225.09096	0.4
226.06293	0.5
254.05815	1.1
269.08176	2.3
272.07004	0.3
287.09268	40.9
288.09586	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	287.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44556	0.5
54.22006	0.5
57.03266	1.2
59.01181	2.7
65.03765	0.7
69.34472	5.2
77.58910	0.5
90.14968	0.6
91.05361	0.7
93.03297	0.8
94.69779	0.5
97.25644	0.5
105.03244	1.0
108.02007	1.5
109.02830	4.9
109.99932	0.9
111.00671	1.9
121.02842	20.6
122.03532	2.7
122.04308	0.6
123.00705	1.8
123.04318	1.7
124.01563	4.7
125.02332	10.6
133.02785	1.1
135.04419	3.9
137.02341	64.5
138.02658	1.8
148.01407	0.9
149.02351	27.8
150.03128	41.3
151.03621	2.0
161.02292	3.5
162.03072	1.3
163.03908	10.5
169.12230	5.3
175.03831	1.3
183.13776	1.7
187.03886	0.9
199.13300	0.8
202.06247	1.3
213.11143	1.0
215.06747	0.7
219.08797	0.6
227.12781	0.7
229.05112	1.0
243.02869	1.9
243.06694	1.0
245.13885	2.0
254.05829	1.4
255.06432	0.9
257.04483	2.5
269.04593	0.7
269.08173	1.0
272.06891	100.0
273.07260	7.1
287.01993	1.0
287.05960	1.2
287.09259	23.8
288.09641	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	287.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09019	0.3
57.03338	1.7
57.97157	0.3
59.01269	1.0
69.53027	1.3
69.53457	1.0
79.00305	0.3
83.01299	1.2
85.86224	0.3
91.01835	0.4
93.03355	1.0
95.01287	0.6
97.02857	0.3
107.01285	0.4
108.02089	1.0
108.27998	0.3
109.02843	3.2
115.05451	0.7
119.55180	0.3
121.02857	5.0
122.03195	0.7
123.00777	1.9
123.04465	0.4
124.01552	0.9
125.02348	12.9
126.02670	0.7
129.07063	0.4
131.04909	0.6
133.02875	3.0
134.03270	1.0
135.00780	0.4
135.04472	0.7
136.01552	0.5
136.04657	0.4
137.02354	2.1
138.03079	0.4
140.82045	0.3
141.07037	1.8
143.04950	1.2
145.02878	0.8
145.06532	0.7
147.00842	0.4
147.04457	0.3
149.02386	2.7
150.03156	2.3
152.10214	0.3
153.01942	0.5
157.06500	4.5
158.03662	0.4
159.04390	2.3
161.02364	2.1
164.01042	0.3
165.01878	1.1
167.04907	1.8
168.05678	0.9
169.06416	1.5
171.04404	1.4
173.02458	0.3
173.05972	2.2
175.03961	0.7
177.05518	0.5
183.04433	2.8
184.05142	0.5
185.06027	5.3
186.06392	0.5
187.03996	1.6
187.92497	0.3
189.05510	1.5
195.04445	2.6
196.05099	0.4
197.02338	0.4
197.06026	2.2
198.03259	0.7
199.03917	0.9
201.05527	5.1
202.06073	0.3
210.43756	0.3
211.03955	4.6
212.04733	1.6
213.05511	10.1
214.02637	2.5
214.05811	0.7
215.03409	1.5
227.03438	0.6
229.01633	0.4
229.05028	6.2
239.03459	3.4
240.04341	2.1
241.05034	7.9
242.02254	0.7
242.05432	0.6
243.06650	0.7
254.05653	1.4
255.06612	1.3
256.03650	1.1
257.04547	100.0
258.04877	7.5
259.06104	0.7
269.04541	0.5
271.06003	0.5
272.06894	66.6
273.07251	5.1
287.05661	1.4
287.09259	33.2
288.09540	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	287.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16867	1.1
68.83797	1.5
69.81754	8.7
81.29541	1.5
98.20541	1.6
104.47042	1.4
119.17603	1.2
125.02331	2.7
132.04512	1.6
140.81781	1.6
155.06047	1.5
157.07599	4.5
173.03444	7.2
181.07762	1.5
183.05563	20.3
199.08707	1.7
215.04573	52.1
216.04863	2.7
243.07669	4.4
259.06171	1.6
287.06750	100.0
288.07132	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	287.0925
Annotation	7,2'-Dihydroxy-4'-methoxyisoflavanol
Peak:m/z	Relative Intensity
52.88744	0.6
59.01249	3.3
62.88409	0.7
63.02247	0.7
65.00189	1.7
65.03838	5.6
67.01762	2.7
69.27091	8.0
83.01244	1.8
91.01779	2.6
91.05382	3.3
93.03345	1.4
95.01283	1.8
104.30204	0.9
107.01266	5.3
108.02062	5.2
109.02834	100.0
110.03180	3.7
117.03327	1.0
118.98844	0.6
119.04887	3.0
121.02848	5.0
123.00771	3.0
124.01518	1.9
125.02312	4.8
132.02069	1.1
135.00789	2.6
135.04417	43.7
136.01566	10.5
136.04761	1.3
136.98607	0.7
137.02319	2.5
139.00250	0.8
139.03893	1.1
147.04413	1.6
149.02290	1.9
150.03139	11.4
151.00262	7.2
151.03879	3.0
153.01855	7.4
153.48338	0.7
165.05432	5.2
166.99765	1.3
167.72905	0.7
172.05025	0.7
177.01880	1.4
181.01360	2.5
199.07422	0.6
223.03954	2.2
224.04736	11.0
225.05292	1.2
239.07109	6.9
242.05852	0.8
243.06625	2.4
255.06505	1.3
257.04672	1.8
257.08170	24.5
258.08643	1.8
259.05981	1.2
269.04538	0.9
269.08115	0.6
272.06851	4.3
272.80780	0.6
282.24243	0.8
287.05670	6.7
287.09268	33.8
287.22202	1.0
288.06512	0.9
288.09473	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	287.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	17.2
59.01238	1.5
63.02273	3.3
65.00193	7.8
70.77020	1.4
81.03323	2.7
83.01260	10.4
93.03322	2.2
95.01264	1.0
95.04922	0.6
105.03371	0.8
107.01279	5.2
107.04894	0.8
108.02077	0.6
109.02843	1.9
111.00764	1.1
117.03349	0.6
121.02835	1.3
123.04394	1.8
124.01578	2.8
125.02340	100.0
126.02696	3.1
131.04919	2.4
133.02875	3.3
134.03627	1.6
135.04416	1.9
135.07152	0.5
137.02367	0.8
137.05997	0.6
145.02870	0.8
149.06018	0.5
151.00278	9.0
152.01071	8.2
153.01857	2.3
156.05710	0.9
157.06514	1.6
158.03639	0.9
159.04408	1.8
161.02348	5.1
162.02950	0.6
165.01888	0.7
169.01317	1.1
169.06512	0.7
171.04422	0.7
172.05186	1.4
173.05994	5.3
175.03941	1.8
175.07648	0.6
177.05484	14.1
178.05878	1.0
178.99792	5.3
197.05910	0.6
199.03976	0.7
199.07637	2.3
200.04732	1.3
201.05505	8.1
202.05917	0.9
203.03473	1.3
212.84300	0.5
213.05467	1.6
214.06273	0.6
215.07111	4.4
219.06587	1.9
225.05608	0.8
227.03514	0.7
227.12930	0.9
241.04977	2.2
243.06604	11.0
244.07036	0.8
245.04327	0.5
259.06107	55.6
260.06458	3.3
269.04489	3.2
287.05615	32.3
288.05942	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64029	0.3
55.56568	0.3
56.18301	0.3
56.54465	0.3
57.03302	0.6
63.02265	2.4
65.00195	12.0
69.37266	3.0
76.67744	0.3
83.01255	5.4
101.22511	0.3
107.01272	15.6
107.04906	0.6
108.01591	0.5
109.02869	2.6
114.27841	0.3
121.02853	0.4
125.02342	3.9
133.02852	0.9
134.03677	1.9
135.04414	100.0
136.04761	3.3
137.02321	0.3
139.69418	0.3
151.00273	78.2
152.00642	2.4
161.02380	0.9
165.01819	0.8
169.01312	2.3
177.01839	0.5
269.04623	0.6
287.05573	10.8
288.05939	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0561
Annotation	Isookanin
Peak:m/z	Relative Intensity
55.26974	0.9
55.89392	1.0
57.03323	16.4
59.01256	1.1
65.00207	4.9
65.03799	0.9
68.53236	0.9
70.88494	2.8
81.03330	3.1
83.01272	8.9
93.03346	3.3
107.01258	2.6
108.02024	2.2
109.02833	4.3
111.00718	1.5
117.03326	1.7
121.02879	1.4
123.00814	2.4
123.04372	2.3
123.26803	0.9
124.01530	4.5
125.02339	100.0
126.02675	3.8
130.04099	1.2
131.04900	2.8
132.62184	0.9
133.02820	3.1
134.03656	1.0
135.04404	2.1
137.02269	1.0
138.07401	1.2
149.06030	1.1
151.00279	9.1
152.01085	6.7
157.06467	1.4
159.04384	3.0
161.02365	1.2
161.55624	0.9
165.01845	1.5
172.05307	1.3
173.06041	6.0
175.03899	1.4
177.05466	12.7
178.99788	4.9
187.03929	2.1
199.07552	3.8
200.04645	1.1
201.05489	8.3
203.03484	2.6
213.05530	1.4
215.03563	1.4
215.07101	4.5
219.06584	2.2
230.33109	1.0
243.06596	14.1
245.08138	2.6
259.06104	58.1
260.06351	3.2
269.04474	2.1
272.06912	1.2
287.01965	13.8
287.05569	39.6
287.09009	2.8
287.14874	1.5
288.05838	3.4
289.08109	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	18.0
58.03648	0.5
59.01244	1.1
59.98903	0.4
59.99863	0.4
71.60080	0.5
77.03791	0.4
81.03327	2.0
83.01258	4.3
95.04895	1.3
97.23933	0.4
105.03350	4.7
107.37628	0.4
109.02832	1.6
109.98062	0.4
119.04884	0.5
121.02850	1.8
123.00782	0.6
123.04433	0.5
124.01588	0.7
125.02341	100.0
126.02676	3.5
131.04944	0.6
133.02855	1.8
135.04449	1.0
137.02356	2.9
137.54881	0.5
145.06496	0.6
147.04434	1.0
149.02364	2.1
149.05916	0.7
150.03148	1.0
151.03888	0.7
159.04402	0.9
161.02357	34.9
162.02893	2.2
162.05536	0.5
164.01093	0.5
165.01854	1.6
169.12262	5.1
172.05190	0.8
173.06001	1.2
174.03087	0.6
175.03922	3.2
177.05516	5.3
178.05759	0.5
179.10687	0.5
183.04453	0.7
189.05415	0.9
191.07147	0.8
195.10303	0.6
197.06056	1.0
199.03935	0.8
200.04707	0.5
201.05527	4.0
203.03365	0.6
213.05669	0.8
213.11238	0.9
215.07127	0.5
219.06615	1.5
225.05591	1.5
227.03419	1.1
229.01390	0.9
235.86761	0.5
241.05070	0.6
243.06676	2.9
245.04533	0.6
259.06186	2.3
269.04565	3.4
272.06763	1.1
287.05597	8.7
287.14972	0.8
287.22144	0.6
288.05884	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2388
Annotation	Prosopinine
Peak:m/z	Relative Intensity
53.82648	0.5
59.01241	0.7
65.61785	0.5
69.46877	0.5
70.02850	1.4
72.12443	0.5
74.05972	1.8
74.96699	0.4
82.98079	0.4
91.11575	0.4
103.58630	0.4
117.06970	2.4
118.04993	1.4
125.02328	1.2
228.03835	0.8
240.23360	3.8
242.21172	1.2
242.24879	0.8
256.03278	1.5
268.22879	1.5
271.05707	0.7
286.04254	2.5
286.23883	100.0
287.16504	1.4
287.24268	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2073
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
57.03320	0.9
59.01244	0.6
63.63369	0.4
65.00188	0.5
69.04515	0.4
70.34888	0.8
70.35275	1.0
72.45786	0.4
77.70174	0.4
78.95775	0.4
105.26863	0.4
111.07944	0.5
119.04996	0.4
120.04800	0.4
133.02861	0.6
134.03050	0.5
151.34018	0.4
152.01134	0.5
169.01321	0.4
170.95596	0.4
190.31944	0.4
211.03903	0.5
221.19028	0.7
223.20631	68.9
224.21001	4.2
227.03450	2.7
241.21692	1.3
242.22255	0.4
255.03009	5.9
267.19656	36.0
268.19968	2.7
270.05316	2.1
285.04102	9.6
285.07599	1.1
285.20715	100.0
286.04361	0.9
286.21054	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	285.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36717	1.3
59.01251	100.0
60.01578	1.5
70.97713	3.0
73.96645	1.1
74.14552	1.1
102.81470	1.1
108.02039	2.7
109.02879	1.5
119.04942	1.6
121.02860	2.7
135.04448	4.4
149.02412	2.8
163.03841	1.1
181.12262	81.6
182.12581	5.6
199.04007	1.7
213.05598	1.6
225.11354	7.0
243.12312	3.1
266.25882	1.2
269.03549	3.2
270.04483	5.0
281.29797	1.2
284.26810	2.7
285.00775	2.1
285.04019	14.5
285.07312	6.7
285.13666	2.5
285.16904	2.5
285.20648	2.8
285.27066	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	285.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09867	0.3
52.58651	0.4
53.81116	0.3
59.01198	32.4
59.18554	0.3
69.80775	2.3
78.06172	0.3
79.11295	0.4
80.94812	0.4
83.04846	1.6
85.06439	0.8
93.03291	0.9
97.06380	0.5
99.72923	0.3
107.01208	0.6
121.02764	0.4
123.08047	0.4
131.04848	0.4
135.04401	0.7
139.11208	2.3
139.87744	0.4
143.04857	0.8
145.02800	0.6
147.21210	0.4
148.01518	0.5
149.02336	3.0
153.01830	0.4
157.06415	0.4
159.04330	0.9
163.00255	0.6
163.03912	0.5
163.11137	1.6
169.06516	0.5
171.04353	0.9
174.03137	0.5
175.03888	4.1
179.14262	1.6
181.12271	0.6
185.05965	0.9
187.03845	0.8
195.13795	1.3
197.15393	19.5
198.15709	1.3
199.03915	3.0
201.01863	0.8
211.03931	0.5
212.04604	0.5
217.04977	1.4
225.14906	18.6
226.15276	0.9
227.03430	0.7
229.05049	2.0
239.03302	0.5
241.05045	1.6
242.05113	0.4
243.15976	100.0
244.16281	5.5
256.03455	0.5
257.04587	0.9
270.04651	0.7
276.77280	0.5
285.04062	20.6
285.07538	2.4
285.17032	4.3
285.27042	0.7
286.04419	2.2
286.07507	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1247
Annotation	Schradan
Peak:m/z	Relative Intensity
59.01249	0.6
59.93155	0.4
62.36921	0.4
63.02271	1.3
65.00201	1.3
65.99738	0.7
72.51094	0.4
79.95552	0.5
83.01260	1.1
84.38857	0.5
91.01786	1.0
93.03337	1.6
93.70266	0.4
93.92305	0.4
95.01269	0.8
99.83195	0.6
107.01242	2.4
108.02047	3.3
109.02825	0.8
112.13210	0.5
117.03349	0.8
118.06512	2.2
119.01302	0.4
121.02857	1.2
123.00813	1.1
123.04424	1.9
125.02389	1.3
130.08617	0.6
131.04987	0.4
131.06964	0.4
132.04509	0.9
133.02856	4.4
134.03644	8.2
135.00758	1.7
135.04453	2.3
137.02307	0.6
143.04921	0.7
145.02867	0.7
147.03142	1.3
148.01605	2.7
148.03949	1.2
149.02339	1.2
150.03119	1.2
151.00269	2.8
152.68352	0.4
153.01839	1.9
154.04158	0.5
159.04424	1.0
160.03940	12.1
161.02377	8.0
161.04730	74.8
162.05513	12.8
163.00188	0.8
163.02628	0.7
163.05904	0.8
164.01143	0.7
164.03453	8.0
165.04083	0.5
167.04982	0.6
169.01289	1.0
169.06479	0.8
171.04388	0.6
173.06075	0.5
175.02670	8.2
175.04123	0.6
176.03362	2.2
180.00578	3.5
183.04404	0.6
185.05992	2.2
187.03926	1.3
192.02956	16.6
193.03735	87.2
194.04179	4.4
197.05968	0.6
199.03857	0.7
201.05495	0.5
202.06270	0.6
203.08203	1.2
206.04456	0.5
207.01677	0.7
208.02466	2.5
209.06030	0.6
211.03879	1.0
211.13332	0.6
212.57286	0.5
213.05489	1.0
214.02589	0.5
216.46101	0.5
225.02722	1.7
225.05423	0.6
227.03445	2.0
229.05009	1.9
240.04221	0.6
241.05077	2.1
241.12297	1.7
243.03012	0.6
253.05028	1.3
255.02968	2.7
255.06636	2.3
256.03632	1.1
257.04535	2.0
269.04532	1.9
270.04950	4.2
271.06131	3.7
285.04041	42.8
285.07596	22.6
285.12439	100.0
286.04395	4.5
286.08142	3.7
286.12762	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	285.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93790	0.7
57.84266	0.7
59.61665	0.7
65.03844	0.9
66.26895	0.7
71.58733	1.2
79.05364	0.8
81.03322	2.1
82.43935	0.7
82.86796	0.8
83.04907	1.3
84.04443	2.1
88.03940	1.8
92.04932	1.1
94.02878	1.3
94.06477	1.8
95.03659	0.9
95.04893	10.4
96.04442	1.3
97.01569	1.7
107.03630	6.2
108.04449	2.9
109.02816	1.0
110.02374	1.7
110.06001	96.1
111.06350	2.2
116.04948	6.9
118.06537	1.3
120.04459	1.1
122.06008	100.0
123.04422	1.0
123.06342	4.1
124.03926	2.3
132.02914	1.0
132.04474	2.0
144.04456	20.5
146.06073	1.9
147.03152	4.4
156.01166	5.7
162.05511	18.8
163.06271	3.3
166.04985	1.8
176.03436	1.3
177.04137	1.0
188.03426	4.4
194.04454	1.4
195.05280	4.2
255.11363	22.0
256.11728	1.7
267.11383	47.7
267.67648	0.8
268.11710	4.0
281.13477	0.7
284.26624	0.8
285.04034	2.7
285.12445	23.6
285.27054	0.9
286.12799	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	285.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	0.6
63.22467	0.3
65.00189	1.4
67.01736	0.6
69.97616	0.8
69.98022	1.4
78.95776	55.0
89.00202	0.3
91.01777	1.3
93.03333	3.8
97.02817	0.8
107.01270	0.7
108.02058	0.5
109.02882	0.3
119.04070	0.4
119.04917	8.0
121.02841	100.0
122.03174	3.1
123.04416	0.5
133.02826	0.8
135.00760	0.6
135.04431	0.3
145.44427	0.3
151.00282	0.5
153.01811	0.8
165.01833	2.8
166.02194	0.4
171.04509	0.3
179.18848	0.3
183.02916	1.1
184.05214	1.1
187.03908	0.4
196.00142	0.3
196.05223	1.0
199.04002	0.5
211.03883	0.9
212.04723	4.5
213.05383	0.3
227.03513	0.5
227.07077	2.4
239.03401	0.5
240.04228	5.8
241.04785	0.9
255.02992	0.9
255.06590	5.9
257.08121	0.4
269.04483	0.5
270.04910	0.7
270.05637	1.0
270.08951	30.5
271.09299	2.1
285.04013	6.1
285.07507	5.8
285.11368	30.6
285.20419	0.7
285.27130	1.3
286.04309	0.6
286.07584	0.4
286.08643	0.5
286.11447	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	285.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16486	0.3
63.02264	1.1
65.00192	3.0
68.60111	0.3
69.26685	4.2
72.36329	0.4
77.53015	0.3
83.01264	1.6
98.20580	0.8
105.03339	0.7
107.01273	4.9
109.02848	0.4
112.97802	0.4
121.02882	1.1
133.02855	25.5
134.03217	0.9
143.04929	1.4
145.02869	0.5
149.02380	3.1
151.00279	8.3
155.04991	0.6
157.02896	1.1
171.04431	2.1
173.02280	0.4
175.03975	4.3
183.04385	0.7
185.06058	0.8
189.05455	0.5
197.06049	0.5
198.03148	1.2
199.03987	6.7
200.04272	0.5
201.01881	1.3
211.03938	2.5
212.04822	0.4
213.01921	0.6
213.05551	0.7
215.03496	0.8
217.04999	2.5
223.03993	0.5
223.39957	0.4
226.02728	0.6
227.03470	47.9
228.03809	2.7
229.04958	0.6
240.04131	0.4
241.05116	1.8
243.02925	1.0
255.02985	100.0
256.03342	6.9
257.04510	0.7
270.05350	35.5
271.05728	2.5
284.26675	0.9
285.04056	84.2
285.07639	22.3
286.04376	6.4
286.08011	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	285.077
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38091	0.4
56.16597	0.3
63.02201	1.0
65.00100	2.8
65.54086	0.4
68.04382	0.3
69.70345	0.3
70.72965	0.4
70.73315	1.2
83.01161	2.1
93.03265	0.9
105.03287	0.9
107.01283	5.5
108.01956	0.7
121.02750	0.9
124.29127	0.4
125.02284	0.5
133.02852	24.2
134.03110	1.0
143.04820	1.3
145.02754	0.5
149.02374	2.8
151.00275	7.8
157.02765	0.9
159.04308	0.6
163.00128	0.5
167.04909	0.4
169.01286	0.6
169.06441	0.6
171.04324	1.4
175.03932	3.8
176.04314	0.4
176.74309	0.4
183.04501	0.6
185.05968	0.7
187.03813	0.5
193.03601	0.4
197.06012	0.9
198.03131	1.2
199.03954	5.3
201.01877	2.0
211.03972	2.0
213.01782	0.7
213.05479	1.3
214.02718	0.5
215.03400	0.8
217.05020	1.5
223.03983	0.6
227.03456	32.6
228.03784	1.8
229.05049	0.9
239.03432	0.7
240.04153	0.4
241.05017	2.2
243.03003	0.6
255.02977	68.8
256.03305	5.0
257.04544	1.6
267.03113	0.4
267.11307	0.4
270.05338	27.1
271.05692	2.0
280.93796	0.4
284.26715	1.8
285.04105	100.0
285.07651	16.7
285.12637	1.6
285.26886	0.7
286.04428	8.7
286.07996	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.1
63.02269	2.4
65.00201	1.6
71.57854	0.7
83.01263	2.2
95.01265	1.5
98.09757	0.5
107.01275	5.2
107.13765	0.4
108.02061	1.5
109.02859	3.6
117.03358	0.5
119.04881	0.5
121.02847	0.9
123.00787	2.4
123.04485	0.5
124.01579	3.6
125.02311	0.5
132.02071	0.9
133.02853	4.8
135.00755	0.6
136.01567	3.4
137.02368	2.7
139.03940	0.6
145.02847	1.4
146.03638	0.8
148.01570	2.1
149.02373	1.2
149.99522	1.1
151.00284	6.3
152.00836	0.4
159.04434	0.6
161.02402	2.9
161.60454	0.4
164.01051	0.5
169.01324	2.7
171.04419	0.5
173.05972	0.6
175.03922	0.7
183.04445	1.1
185.05989	1.3
187.03992	0.8
197.06015	1.4
198.06496	0.4
199.03918	1.8
200.04649	0.5
201.05479	1.1
202.06232	0.8
209.06000	0.7
211.03960	2.4
211.13339	1.5
213.01903	1.0
213.05527	2.7
214.06230	1.1
217.05083	0.7
224.04846	1.2
225.05569	2.8
226.06361	2.7
227.03435	4.0
241.05016	4.4
242.02184	0.4
242.05780	2.4
251.03519	0.6
252.04247	0.9
253.05035	2.7
255.02975	7.5
256.03464	0.9
257.04349	0.5
257.08405	0.4
269.04565	4.5
270.05341	100.0
271.05701	8.2
283.06122	0.5
284.26828	3.7
285.04117	13.5
285.07690	56.7
285.27106	1.5
286.04880	0.8
286.08005	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	285.077
Annotation	(6aR,11aR)-3,8-Dihydroxy-9-methoxypterocarpan
Peak:m/z	Relative Intensity
59.01242	1.1
63.02269	2.4
65.00201	1.6
71.57854	0.7
83.01263	2.2
95.01265	1.5
98.09757	0.5
107.01275	5.2
107.13765	0.4
108.02061	1.5
109.02859	3.6
117.03358	0.5
119.04881	0.5
121.02847	0.9
123.00787	2.4
123.04485	0.5
124.01579	3.6
125.02311	0.5
132.02071	0.9
133.02853	4.8
135.00755	0.6
136.01567	3.4
137.02368	2.7
139.03940	0.6
145.02847	1.4
146.03638	0.8
148.01570	2.1
149.02373	1.2
149.99522	1.1
151.00284	6.3
152.00836	0.4
159.04434	0.6
161.02402	2.9
161.60454	0.4
164.01051	0.5
169.01324	2.7
171.04419	0.5
173.05972	0.6
175.03922	0.7
183.04445	1.1
185.05989	1.3
187.03992	0.8
197.06015	1.4
198.06496	0.4
199.03918	1.8
200.04649	0.5
201.05479	1.1
202.06232	0.8
209.06000	0.7
211.03960	2.4
211.13339	1.5
213.01903	1.0
213.05527	2.7
214.06230	1.1
217.05083	0.7
224.04846	1.2
225.05569	2.8
226.06361	2.7
227.03435	4.0
241.05016	4.4
242.02184	0.4
242.05780	2.4
251.03519	0.6
252.04247	0.9
253.05035	2.7
255.02975	7.5
256.03464	0.9
257.04349	0.5
257.08405	0.4
269.04565	4.5
270.05341	100.0
271.05701	8.2
283.06122	0.5
284.26828	3.7
285.04117	13.5
285.07690	56.7
285.27106	1.5
286.04880	0.8
286.08005	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	285.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89014	1.0
54.80663	0.9
59.01220	1.0
65.00205	2.6
71.16193	1.7
77.97421	1.2
78.95785	19.6
83.01270	1.4
84.39924	0.9
91.01775	25.2
91.55670	1.0
95.01276	1.9
107.01246	2.3
108.02065	11.7
119.04962	1.1
123.00805	1.1
133.02855	9.8
134.03648	72.8
135.00786	20.5
135.04041	3.0
136.01541	1.2
145.02896	1.1
148.01579	18.1
149.02306	2.8
149.06007	26.8
150.06358	1.6
151.00279	3.7
153.00642	2.1
153.01863	36.3
154.02188	2.1
160.01541	1.4
161.02406	2.1
169.01347	1.5
173.02258	1.0
173.05846	1.2
175.03979	2.2
180.00598	22.5
181.01019	1.1
183.04442	1.2
185.06039	1.3
199.03995	4.1
211.03847	1.1
213.05388	1.3
214.02638	1.3
225.05569	1.4
226.06274	3.0
227.03456	15.5
228.03975	1.5
229.05089	1.3
239.03546	1.2
241.05013	2.8
242.05612	1.2
243.06448	1.2
252.04210	1.1
253.05113	2.0
255.02983	33.1
256.03259	2.5
257.04773	1.5
269.04547	7.9
270.05310	39.0
271.05609	2.7
284.26718	6.9
285.04074	55.0
285.07675	100.0
285.20743	2.3
285.27127	4.1
286.04517	4.4
286.08060	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	285.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14920	0.4
58.89824	0.4
59.01273	0.4
71.01262	1.2
71.57824	0.7
81.03323	1.3
85.02843	0.5
92.51889	0.6
93.03249	0.4
95.01259	0.6
108.02054	100.0
109.02875	17.0
110.03228	0.4
121.02885	0.6
122.03589	0.5
123.00746	0.7
123.04446	0.7
125.02332	0.6
133.02872	0.6
135.00725	1.0
151.03941	1.0
152.01060	64.1
153.01849	32.6
154.02180	1.0
163.03899	0.9
165.01871	1.1
176.19412	0.5
183.07692	0.5
284.26807	1.5
285.06174	41.1
285.11255	1.1
286.03836	0.5
286.06409	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	285.077
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85962	0.1
62.93962	0.1
81.06397	0.1
95.79588	0.2
111.78220	0.1
118.61279	0.1
133.02861	0.4
134.03516	0.2
143.04924	0.9
145.02878	0.2
151.00388	0.2
157.02853	1.0
167.04942	0.2
171.04413	2.0
171.12483	0.1
173.02156	0.2
183.04436	0.5
187.03914	0.2
189.05476	0.2
198.03198	0.3
199.03944	2.7
200.04205	0.2
208.97842	0.2
211.03929	1.7
213.01758	0.3
225.05574	0.2
226.02716	0.2
227.03447	45.6
228.03778	3.1
241.04869	0.3
252.18390	0.2
255.02963	100.0
256.03305	7.4
257.03723	0.3
269.04263	0.2
270.05319	39.7
271.05676	3.2
285.04141	1.8
285.07660	23.1
286.04810	0.2
286.08011	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	285.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.1
65.03828	4.5
67.01766	2.5
71.29292	0.6
71.57361	0.7
71.57722	0.8
72.65768	0.5
78.95777	45.7
79.05423	0.5
80.02554	0.7
81.03342	1.7
83.01279	0.8
89.01567	0.6
91.05409	13.7
92.05717	0.6
93.03337	6.4
95.01269	1.4
97.02831	1.3
103.05439	1.1
105.03297	0.6
107.01209	0.7
107.04898	6.7
108.02046	11.3
109.02839	38.9
110.03169	1.6
117.03382	1.0
119.04893	3.3
120.02098	0.7
121.01955	1.2
121.02843	25.1
122.03171	0.7
123.00731	1.4
123.04420	1.1
133.02853	4.1
134.03630	12.0
135.04414	100.0
136.01556	2.7
136.04745	4.1
137.02342	6.8
145.02840	3.0
146.03615	0.7
147.04422	21.0
148.01485	0.6
148.05202	3.1
149.02335	1.4
149.05966	2.6
151.00337	0.6
153.05443	0.6
157.06482	1.4
159.04417	1.3
161.02350	1.5
163.03925	20.4
164.01161	1.1
164.04247	0.9
167.04909	0.6
169.06479	1.2
171.04463	1.0
172.05244	1.4
173.05949	2.6
175.03947	2.7
181.06595	0.8
183.04362	0.7
185.06050	1.7
197.06078	2.8
199.03874	1.3
199.07521	1.1
209.06154	0.6
211.03947	1.1
211.07555	2.6
213.05421	2.0
213.09062	0.9
214.02608	0.6
214.06261	1.2
215.07076	3.4
223.07648	1.9
225.05511	1.6
226.11035	0.7
227.03426	1.0
227.06998	3.6
229.04941	0.7
237.05464	1.3
239.07025	2.4
241.04980	2.1
243.06546	3.2
255.03897	1.0
255.06573	9.6
256.07407	2.6
257.08087	2.4
267.06653	9.4
269.04553	0.7
270.05252	2.4
270.08954	1.9
283.05969	1.4
284.26743	4.6
285.04141	11.3
285.07660	92.6
285.11377	5.1
285.20526	1.3
285.26913	1.5
286.08008	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	285.0617
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
52.67809	0.3
53.47028	0.3
64.35476	0.3
69.81929	1.5
72.59548	0.3
81.03327	0.8
93.03342	0.6
107.04892	0.3
108.02055	100.0
108.72292	0.3
109.02884	16.1
110.03216	0.5
121.02851	0.5
123.04375	0.7
133.02859	0.9
135.00745	0.6
146.73949	0.3
151.03926	1.3
152.01062	61.9
153.01849	27.8
154.02177	1.1
163.03906	1.4
165.01837	1.1
181.05003	0.4
195.03143	0.3
210.13264	0.3
285.06161	42.3
286.06516	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0616
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
54.44902	0.4
70.71406	0.7
70.71774	0.7
78.44208	0.4
81.03336	1.1
85.02830	0.7
85.35744	0.3
95.01242	0.4
108.02056	100.0
109.02888	12.7
123.00752	0.4
123.04394	0.7
125.02274	0.4
133.02802	0.7
135.00749	0.7
141.75827	0.3
151.03944	1.2
152.01064	54.7
153.01852	21.4
154.02275	0.4
163.03995	0.6
165.01866	0.5
167.10451	0.3
169.00143	0.4
185.01532	0.4
284.26807	1.2
285.06168	30.0
285.27115	0.7
286.06528	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	285.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.4
63.02257	1.6
65.00205	1.5
67.01797	0.3
69.72951	0.4
69.73355	1.4
71.01228	0.3
73.02835	0.3
83.01253	2.1
85.02834	0.3
86.72801	0.2
89.03799	0.2
91.01759	0.3
93.03340	3.0
95.01246	0.8
107.01279	2.7
108.02033	1.0
109.02824	1.0
111.08068	0.3
117.03365	1.1
119.04957	0.4
121.02863	0.7
123.00748	0.5
123.04432	0.6
125.02355	0.3
125.09646	0.3
129.03371	0.3
130.04153	0.5
131.04901	0.5
133.02856	4.0
135.00769	0.7
137.02319	0.8
143.04944	1.4
145.02888	1.3
145.06476	0.3
149.02319	0.6
151.00267	3.5
153.01788	0.3
154.04132	0.8
155.04907	0.7
156.05751	0.3
157.02846	0.5
157.06494	0.9
158.03575	0.3
159.04405	1.7
161.02351	0.6
163.00317	1.1
164.01018	0.8
165.01830	0.4
167.04916	0.7
168.05643	0.4
169.01364	1.8
169.06429	1.2
171.04454	1.3
173.02338	0.8
173.06010	0.5
175.03932	0.9
181.12285	2.1
182.12621	0.3
183.04433	0.8
184.05165	0.6
185.06018	2.4
187.03928	1.9
187.07611	0.4
195.04402	0.6
196.05241	0.6
197.06012	0.6
198.03046	0.3
199.03926	1.0
199.07550	0.3
201.01950	0.3
201.05493	0.7
202.06308	1.0
211.03993	1.5
213.05533	1.7
214.02615	0.9
214.06152	0.4
215.03453	0.9
217.05040	0.5
225.11316	1.3
227.03477	1.1
229.04993	2.5
230.05354	0.3
239.03505	1.4
240.04288	0.6
241.05011	0.6
241.12312	5.4
241.14610	0.5
242.12827	0.4
243.02942	0.9
243.10187	0.6
243.12344	0.4
255.03036	1.0
256.03659	0.4
257.04538	1.9
267.02933	0.4
268.03857	0.4
270.05136	0.3
284.03433	0.3
284.26840	1.4
285.04041	100.0
285.27094	0.5
286.04391	8.0
302.32690	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0404
Annotation	Luteolin
Peak:m/z	Relative Intensity
63.02277	0.9
65.00195	3.2
69.62297	1.3
79.01752	0.2
83.01260	1.5
98.20576	0.2
105.03340	0.5
107.00543	0.3
107.01267	4.7
109.02829	0.5
115.05384	0.2
120.78068	0.2
121.02852	1.4
132.02089	0.6
133.02847	27.5
134.03154	0.9
134.81670	0.2
135.04407	0.9
135.33836	0.2
143.04922	0.3
145.02927	0.2
147.04417	0.5
148.01511	0.2
149.02335	3.7
151.00270	9.2
152.00558	0.4
163.03983	0.2
169.01358	0.3
169.06564	0.2
171.04405	0.8
173.05939	0.2
175.02505	0.3
175.03926	5.2
176.04170	0.2
185.05968	0.5
187.03961	0.4
189.05479	0.4
197.05981	0.5
198.03110	0.7
199.03929	4.0
201.01888	1.9
211.03957	0.4
213.05449	0.6
215.03450	0.5
217.05014	2.7
223.03987	0.4
224.04710	0.2
226.02655	0.2
229.04947	0.4
231.20990	0.2
239.03447	0.4
240.04262	0.3
241.05022	1.4
242.02144	0.3
243.02985	1.0
257.04550	0.6
267.02951	0.6
285.04028	100.0
286.04376	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	285.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44841	0.4
57.10653	0.4
58.76304	0.4
59.01251	0.5
63.02276	2.1
65.00188	1.8
74.02332	1.0
83.01257	1.9
91.01772	1.1
93.03337	5.5
95.01269	0.6
98.20564	1.1
107.01278	5.5
109.02854	2.0
116.04927	0.5
117.03345	1.9
119.01274	0.9
119.04931	0.6
121.02811	0.6
130.04114	0.8
131.04895	1.2
132.02023	0.5
133.02873	4.1
135.00754	2.0
137.02312	0.6
141.06950	0.4
143.04930	3.9
145.02875	1.3
151.00272	3.5
153.01851	0.8
154.04163	1.1
155.04941	0.8
156.05608	0.7
157.06528	2.0
158.03629	0.8
159.04424	3.8
161.02307	0.8
163.00279	2.8
164.01053	0.9
165.01730	0.7
167.04886	1.3
169.01292	1.3
169.06541	1.4
171.04457	2.3
173.02324	0.9
175.03940	0.8
182.03687	0.8
183.04471	2.2
184.05040	1.1
185.05998	5.6
187.03926	6.9
188.04297	0.7
189.05530	1.5
195.04457	1.0
197.05949	1.3
199.03848	2.0
201.05553	1.0
203.08208	1.5
211.03951	3.6
212.04485	0.7
213.05516	2.7
214.02541	0.9
215.03505	0.5
217.04965	0.5
227.03435	5.0
228.03792	3.8
229.05019	14.6
229.79224	0.5
230.05305	0.8
239.03528	2.2
240.04282	1.5
241.04985	2.5
243.02953	0.8
243.15005	0.8
255.02957	1.7
256.03333	7.3
257.04526	6.9
258.04767	0.6
267.02939	1.4
285.04013	100.0
286.04337	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0396
Annotation	Kaempferol
Peak:m/z	Relative Intensity
59.01258	2.2
63.02271	2.0
65.00191	0.8
65.03844	0.2
67.01746	0.3
76.23950	0.2
79.01774	0.4
80.27570	0.2
82.09911	0.2
82.24599	0.2
83.01262	1.4
91.01770	1.2
93.03340	5.3
95.01276	0.3
98.19775	0.6
107.01267	3.4
108.02104	0.3
109.02840	1.8
115.05424	0.4
117.03333	2.0
119.01282	0.4
121.02822	0.2
123.00739	0.4
123.04453	0.2
124.01575	0.3
129.03381	0.2
130.04115	0.6
131.04945	1.1
133.02866	0.3
135.00786	1.9
136.01543	0.2
137.02362	0.7
138.02592	0.2
141.07013	0.3
143.04939	2.9
145.02875	1.1
145.06441	0.5
151.00270	2.3
153.01840	0.9
154.04173	1.0
155.04929	0.7
156.05728	0.8
157.02884	0.2
157.06485	2.2
158.03659	0.3
159.04425	4.3
161.02350	0.7
161.06038	0.3
163.00267	2.9
164.01021	0.7
165.01810	0.8
167.04916	1.3
168.05629	0.3
169.01324	0.3
169.02811	0.2
169.06496	1.7
171.04420	1.9
173.02339	0.7
173.05991	0.5
174.03111	0.4
179.14355	0.4
182.03639	0.5
183.04449	1.5
184.05226	1.2
185.02423	0.3
185.06003	5.6
186.06313	0.3
187.03932	6.5
188.04233	0.4
189.05524	1.7
192.00606	0.4
195.04465	1.4
196.05162	0.6
197.06021	1.6
197.15366	1.3
198.03139	0.6
199.03889	1.4
201.05551	1.8
211.03964	3.5
212.04625	0.7
213.05534	3.4
214.02695	1.0
215.03452	0.9
217.04945	0.3
223.03969	0.7
225.15004	1.1
226.02710	0.2
227.03448	4.4
228.03760	1.1
229.05025	17.5
230.05399	1.3
239.03445	2.2
240.04211	1.3
241.05022	2.3
243.02972	1.3
243.15994	7.4
255.02910	1.5
256.03543	2.0
257.04556	8.5
258.04816	0.6
267.02969	1.4
268.03690	0.6
285.04034	100.0
286.04382	9.0
306.23727	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1704
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
52.38807	0.3
59.01257	0.5
62.14738	0.3
70.91230	1.3
89.67709	0.4
91.74245	0.4
97.18395	0.4
106.04184	0.5
106.43227	0.4
107.04911	100.0
108.05249	3.1
128.01335	0.4
135.14420	0.4
163.11200	98.2
164.11543	5.6
201.02545	0.4
276.48447	0.4
283.17041	73.5
283.26389	31.3
284.17349	6.5
284.26675	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	284.1868
Annotation	2-Octenoylcarnitine
Peak:m/z	Relative Intensity
53.93530	0.4
57.03291	0.4
58.02857	2.9
59.01243	0.8
71.59745	0.4
74.02403	0.4
78.13770	0.4
79.31699	0.4
91.01769	1.6
93.03340	0.7
108.02042	1.0
109.02834	0.6
121.02817	2.3
123.04406	1.1
135.00743	1.6
139.03891	0.4
148.01610	0.8
149.02330	0.7
153.01837	2.3
163.00273	1.5
175.77438	0.5
211.03891	0.9
222.14917	1.1
222.18571	1.3
227.03487	1.4
229.05049	0.8
238.18114	1.3
239.03429	0.8
240.19632	4.2
242.17590	100.0
243.17926	7.0
246.18861	0.4
255.02960	1.4
256.03461	1.0
257.04623	0.9
284.03168	1.9
284.18680	79.6
284.26788	7.0
285.04022	6.4
285.19031	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	284.2231
Annotation	Myristoyl-Gly-OH
Peak:m/z	Relative Intensity
53.90754	0.2
53.97328	0.2
54.74746	0.2
58.35461	0.2
59.01262	0.4
72.04423	0.6
73.76003	0.2
74.02346	100.0
75.02700	0.8
84.04435	1.0
98.20647	0.5
98.47702	0.3
108.93835	0.2
116.86942	0.2
146.02164	0.2
178.11378	0.3
238.21590	0.3
240.23271	3.8
284.22363	36.7
284.26813	8.7
285.04010	1.5
285.22562	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	285.0406
Annotation	Luteolin
Peak:m/z	Relative Intensity
63.02279	1.1
64.99876	0.2
65.00195	1.4
79.01752	0.2
83.01258	1.3
91.01768	0.4
93.03337	3.4
95.01262	0.6
98.19791	0.3
107.01283	2.1
108.02076	0.8
109.02834	1.4
117.03345	1.0
119.01266	0.3
119.04951	0.2
121.02850	0.6
123.00759	0.6
123.04431	0.5
124.01574	0.5
130.04111	0.3
131.04971	0.4
132.92334	0.2
133.02876	2.2
135.00755	0.8
135.04391	0.3
137.02309	0.8
143.04935	1.8
145.02837	1.0
147.04362	0.2
147.32527	0.2
149.02298	0.3
151.00293	2.1
153.01837	0.2
154.04170	1.1
155.04926	0.7
156.05670	0.4
157.02890	0.5
157.06519	1.0
158.03566	0.3
159.04433	1.8
161.02373	0.8
163.00291	1.0
164.01033	0.5
165.01840	0.5
167.04936	0.9
168.05736	0.2
169.01343	0.7
169.06523	1.3
171.04430	1.5
172.27130	0.2
173.02344	0.6
173.05994	0.4
174.03146	0.2
175.03949	0.3
183.04401	0.7
184.05228	0.7
185.06012	2.8
187.03931	2.0
189.05490	0.2
192.00562	0.2
195.04398	0.4
197.06007	0.3
198.03165	0.3
199.03902	0.6
200.04453	0.2
201.05513	0.6
211.03934	1.6
211.13339	0.5
212.04556	0.3
213.05534	1.3
214.02567	0.8
215.03462	0.9
217.04964	0.3
219.02917	0.2
227.03516	1.1
229.05061	2.3
229.34001	0.2
239.03471	1.3
240.04156	0.6
241.04951	0.7
243.02995	0.7
255.02992	1.5
256.03754	0.3
257.04599	1.2
267.02960	0.4
268.03653	0.4
270.05380	1.6
273.78867	0.2
284.03394	0.3
284.26773	1.0
285.04050	100.0
285.27115	0.4
286.04410	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	283.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	5.7
59.01252	23.0
69.36015	4.2
69.36440	1.7
73.02841	0.5
74.40276	0.5
83.04443	0.8
83.04894	6.8
86.58925	0.6
90.61943	0.6
97.06478	4.4
98.19774	1.1
114.76682	0.6
123.08058	2.0
135.00697	0.5
137.09610	2.0
139.11212	1.4
149.09613	1.8
151.11179	1.2
158.23163	0.5
163.11188	8.9
164.11475	0.8
165.12775	1.2
167.14372	1.0
177.12782	1.8
179.10641	0.6
179.14362	3.1
195.13841	22.6
196.14182	2.0
223.13342	17.6
224.13750	1.7
224.16347	0.6
227.03429	2.3
235.30502	0.5
241.14412	100.0
242.14748	6.9
255.02985	5.0
283.02472	2.0
283.15405	2.7
283.26428	10.7
284.03244	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	283.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84987	1.7
52.18664	1.3
56.71533	1.4
59.01249	26.4
71.57286	1.9
76.96735	1.5
86.39573	1.2
89.68290	1.2
92.35448	1.3
122.03677	1.5
122.40424	1.4
124.01535	2.8
125.02319	3.2
125.83095	1.3
137.02330	5.2
138.03137	10.4
165.55258	1.5
172.73346	1.4
177.05434	2.0
179.07051	32.6
180.07404	1.8
187.03920	1.9
195.13770	1.8
196.05196	7.6
211.03903	4.3
212.04495	1.9
223.06006	3.9
239.03493	2.7
239.47282	1.3
240.04234	49.8
241.04660	2.9
241.07004	2.5
241.14374	8.6
255.03101	2.3
267.02948	3.2
268.03741	100.0
269.04056	8.6
283.06085	67.6
283.26379	65.2
284.03418	2.6
284.06424	4.6
284.26599	2.2
296.10501	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35379	0.4
59.01270	0.7
63.02295	0.6
65.18420	0.5
69.54943	3.1
79.93895	0.5
86.64407	0.5
86.83431	0.5
91.01830	0.4
132.02065	6.2
132.02965	0.6
135.00818	2.0
148.86897	0.5
151.00284	1.1
153.01863	1.0
154.04086	0.6
170.80299	0.5
180.05804	0.9
183.04448	0.7
184.05229	1.3
195.04469	2.0
196.05254	1.5
201.02412	0.5
209.11850	0.5
211.03934	7.7
212.04669	2.4
223.04021	4.1
224.04730	3.6
226.02708	2.7
227.03593	0.6
239.03461	14.4
240.04210	6.9
255.02980	4.9
256.03720	1.8
267.02985	16.9
268.03763	96.3
269.04086	8.2
283.06116	100.0
283.26428	31.5
284.03217	6.1
284.06494	9.1
284.26733	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20189	0.3
54.93283	0.3
59.01239	0.9
59.46892	0.3
69.65957	0.3
71.58813	0.5
91.01767	8.1
101.70110	0.3
104.02576	1.1
108.02074	0.4
119.45134	0.3
132.02072	5.8
133.02882	1.9
135.00780	14.1
147.04440	0.4
153.01834	7.2
173.14636	0.4
178.61664	0.4
183.04433	1.0
184.05191	0.9
195.04410	0.8
196.05164	0.4
198.03018	0.5
211.03944	4.8
212.04597	1.4
223.03894	0.4
227.03432	0.9
239.03500	1.8
240.04233	12.4
241.04604	0.9
247.13280	0.3
255.02933	0.7
259.77856	0.3
265.14673	0.3
267.03027	0.9
268.03763	100.0
269.04120	8.4
283.06116	70.7
283.26413	30.9
284.06427	5.6
284.26660	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0611
Annotation	Biochanin A
Peak:m/z	Relative Intensity
59.10023	0.4
60.37741	0.4
70.07403	1.2
70.07816	1.3
90.63259	0.4
91.01769	2.9
108.02074	1.0
135.00768	4.0
148.01590	5.9
153.01842	1.8
156.05811	1.0
160.01595	1.0
183.04416	1.4
184.05212	6.5
195.04405	3.4
196.05159	2.0
198.03210	0.8
211.03954	18.9
212.04617	3.3
223.03972	2.0
224.04723	3.0
232.63895	0.4
239.03459	10.8
240.04213	6.4
251.03467	0.9
267.02924	5.3
268.03748	100.0
269.04099	8.5
283.06097	67.0
283.26434	1.9
284.06461	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0613
Annotation	Biochanin_A
Peak:m/z	Relative Intensity
52.62284	0.5
54.66409	0.5
59.01237	0.5
69.54745	3.7
72.72579	0.4
91.01820	0.7
105.72957	0.5
132.02075	6.3
135.00810	1.6
142.47348	0.5
151.00351	0.5
153.01845	0.9
154.04156	0.5
184.05255	1.3
184.89221	0.5
195.04451	2.0
196.05235	2.1
206.91225	0.5
211.03940	6.7
212.04665	1.8
223.03995	3.6
224.04688	3.4
226.02655	3.0
231.73869	0.5
239.03453	14.9
240.04221	6.0
241.04819	0.5
267.02975	18.4
268.03754	100.0
269.04132	7.0
280.71011	0.4
283.06110	95.3
283.26425	15.7
284.06427	7.2
284.26578	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.061
Annotation	Unknow
Peak:m/z	Relative Intensity
60.37484	0.6
62.93424	0.6
69.14861	0.6
69.34325	5.9
69.88784	0.5
91.01758	0.6
98.19975	2.4
117.37334	0.7
118.32047	0.6
132.02075	11.5
135.00774	1.8
148.01529	1.0
153.01828	0.9
160.77979	0.6
172.49960	0.7
185.76709	0.6
195.04436	2.6
196.05141	1.1
197.90732	0.5
198.03183	0.7
205.96309	0.6
211.03944	5.8
212.04720	0.9
223.03981	6.6
224.04730	15.6
225.05171	1.3
239.01222	1.0
239.03459	10.1
240.04205	8.2
251.03458	3.2
267.00720	0.8
267.02963	36.5
268.03754	84.3
269.04141	4.9
270.50290	0.6
283.06113	100.0
283.26376	11.4
284.06503	8.9
294.33499	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03219	0.4
57.64408	0.4
59.01058	0.5
59.01327	1.0
60.30622	0.4
91.01891	2.8
108.01445	0.4
108.02204	1.3
117.03461	1.1
132.02098	0.6
135.00775	4.7
145.02910	0.8
148.01569	5.1
153.01837	1.9
156.05792	0.8
158.03674	0.7
159.04419	0.5
160.01668	0.6
163.11374	0.5
173.02487	0.7
183.04434	3.2
184.05217	5.8
185.02541	0.4
187.04004	1.6
195.04439	4.1
196.05394	1.6
198.03287	0.6
199.04033	0.7
211.03944	17.7
212.04565	3.2
215.03700	0.4
223.04050	1.8
224.04720	2.4
227.03426	4.2
239.03447	12.0
240.04208	7.9
241.04642	0.7
241.14445	3.3
251.03398	1.0
255.02982	8.9
267.02942	5.2
268.03751	100.0
269.04077	8.0
283.02603	5.9
283.06085	60.0
283.26419	22.3
284.03165	3.9
284.06451	4.7
284.26874	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0612
Annotation	7,2'-dihydroxy-4',5'-methylenedioxyisoflav-3-ene
Peak:m/z	Relative Intensity
52.88333	0.5
59.01251	0.6
64.59116	0.4
65.00196	1.5
65.03829	4.2
67.01749	1.5
69.93037	1.2
69.93456	1.2
80.75127	0.4
89.03862	2.4
91.01760	1.4
93.03329	1.3
95.01267	0.6
106.40318	0.4
108.02043	5.9
109.02840	17.5
110.03123	0.4
117.03355	4.3
121.02837	7.3
123.04404	1.6
132.02094	1.3
133.02853	11.4
135.00763	1.6
137.02342	7.7
141.07043	2.8
143.04910	1.5
143.08578	0.7
145.02858	11.4
145.06480	0.7
146.03667	1.1
146.91072	0.4
147.04393	0.9
149.02245	0.5
153.01810	1.1
154.04189	0.6
157.06499	1.3
159.00735	0.8
159.04428	0.8
161.02353	2.1
165.06967	1.5
167.04950	2.4
167.08574	1.3
168.05623	0.7
169.06485	2.2
171.04431	1.9
172.05179	1.6
173.02435	0.7
174.03085	0.8
181.06514	1.8
182.03596	0.5
183.04402	1.7
183.08058	2.0
184.05232	1.6
185.05977	6.9
186.06706	1.5
187.07542	2.5
193.06526	2.8
195.04411	2.1
196.05214	3.6
197.05923	1.8
197.52924	0.5
198.03171	1.7
198.06728	0.5
199.04027	0.5
199.07597	0.6
200.04643	0.6
208.05241	1.1
209.06033	8.5
210.06763	5.2
211.03976	4.9
211.07567	7.3
212.04689	2.0
213.05496	7.2
215.07111	1.2
224.04738	0.6
225.05502	4.9
226.06233	1.5
227.03505	0.5
227.07091	2.9
235.03922	1.0
236.04636	0.9
237.05545	5.0
238.05896	0.4
239.03447	2.7
239.07036	2.5
240.04231	7.6
241.04890	1.0
243.85387	0.5
253.05061	6.4
254.05814	38.7
255.06584	46.8
256.06995	3.0
265.05014	0.8
268.03775	5.0
281.04514	1.5
282.05182	1.1
283.06104	100.0
283.26422	3.4
284.06458	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	283.0611
Annotation	Biochanin_A
Peak:m/z	Relative Intensity
59.01242	1.0
65.00191	0.7
65.14215	0.4
70.95940	1.0
70.96306	0.6
91.01766	59.2
92.02107	2.0
93.03358	0.7
106.04153	0.4
107.01283	0.7
108.02048	1.5
114.86599	0.5
119.04893	0.4
121.02840	3.8
123.04385	0.6
133.02840	1.3
135.00774	37.1
136.01218	1.1
142.03795	0.5
149.02347	8.2
150.02589	0.6
153.01836	24.3
154.02194	0.6
161.02347	3.1
162.03116	0.9
163.03893	1.3
168.01999	0.5
197.23080	0.5
201.02470	0.6
225.09122	0.8
239.03415	0.7
255.02936	3.7
255.06599	0.8
264.42902	0.5
266.40701	0.5
268.03668	0.7
283.06104	100.0
283.26398	22.5
284.06448	8.3
284.26727	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2123
Annotation	3-Epilitsenolide D1
Peak:m/z	Relative Intensity
50.53952	0.8
57.03311	1.4
57.10281	0.8
59.01253	9.1
69.40700	8.3
71.01242	1.7
83.04889	1.7
88.79817	0.8
90.59154	0.8
98.19839	2.0
104.27638	0.8
113.09612	2.1
123.08042	2.0
163.11180	1.4
171.11716	1.2
181.12271	31.3
182.12544	1.4
215.54935	0.8
237.14886	2.2
253.05043	4.7
263.20148	30.9
264.20621	2.1
281.04587	8.6
281.14191	3.0
281.21228	100.0
281.24512	5.6
282.21655	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	281.2122
Annotation	6-Oxabicyclo[3.1.0]hexane-2-undecanoic acid methyl ester
Peak:m/z	Relative Intensity
57.03314	1.8
59.01247	3.1
71.58566	2.0
71.58939	1.0
76.19446	1.0
80.76259	1.2
86.61725	1.0
86.84525	0.9
101.02335	1.0
162.64078	1.1
171.10190	49.3
172.10498	2.1
237.14891	1.1
263.20160	58.5
264.20453	5.0
281.21231	100.0
281.24603	5.5
282.21643	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2488
Annotation	Petroselinic acid
Peak:m/z	Relative Intensity
50.45343	0.3
70.90697	0.7
70.91036	0.8
74.06853	0.4
97.88062	0.4
103.29470	0.5
176.06955	0.4
180.11978	0.5
207.86757	0.4
281.24869	100.0
282.25211	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	282.0528
Annotation	calycosin(1-)
Peak:m/z	Relative Intensity
56.23530	0.3
59.01256	0.6
65.00199	0.4
70.32867	1.0
71.08718	0.2
91.01808	0.4
117.03298	0.4
118.13035	0.2
119.01250	0.4
128.68114	0.2
129.03374	0.3
132.02080	2.2
139.05473	0.7
141.03409	1.9
142.03755	0.3
143.04955	4.1
145.02800	0.6
154.04143	0.8
155.04941	9.4
156.05251	0.5
159.04462	0.3
167.04948	10.6
168.05296	0.7
169.02859	0.4
171.04489	0.9
173.06001	1.4
176.44980	0.3
182.03667	2.1
183.04440	13.9
184.04785	0.5
185.76010	0.3
186.03111	0.6
195.04449	35.2
196.04762	2.6
197.02325	0.6
197.43764	0.3
201.05528	0.6
210.03195	3.4
210.06665	1.5
211.03949	29.1
212.04283	1.3
223.03952	3.9
224.04405	0.4
225.05481	1.7
226.06223	0.4
238.02666	3.8
239.03468	80.8
240.03821	4.6
253.05132	1.4
254.05832	31.7
255.02977	4.2
255.06166	2.5
266.02274	1.7
267.02972	14.4
268.03622	2.0
269.91754	0.3
281.04584	1.1
281.24548	0.4
282.05334	100.0
283.02487	1.6
283.05664	9.4
283.26407	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	3.1
55.76904	1.9
56.95951	1.5
57.03325	23.2
58.45845	1.6
59.01257	34.2
69.37350	14.1
69.37738	2.6
71.01250	5.4
72.99190	3.2
73.02827	1.5
83.01226	1.5
83.04904	5.8
85.02831	4.4
87.00765	4.4
93.03334	2.1
95.04899	4.7
96.95875	1.4
108.02113	1.6
111.04398	4.7
111.08020	5.0
113.02352	1.8
113.05927	1.9
114.99346	1.4
119.08537	5.1
121.06499	8.2
123.08006	2.2
124.05194	6.2
135.04427	1.9
137.05966	2.8
137.09625	52.9
138.09911	2.4
139.07561	21.1
149.09599	1.8
153.09108	4.2
161.09589	2.4
163.11226	1.9
171.11711	11.8
175.11185	1.6
177.12761	7.1
189.12717	8.5
190.13020	1.8
192.87004	1.4
201.12877	4.3
207.13878	6.0
219.13846	8.0
221.11777	7.1
237.14940	33.8
238.15306	3.0
239.12854	100.0
240.13176	7.3
270.93808	1.7
281.13947	21.5
281.24734	3.9
282.14194	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
52.88132	2.0
54.42930	1.7
55.01748	5.4
57.03325	29.6
59.01257	15.3
65.03831	3.3
69.03304	2.5
71.04875	2.6
71.38979	4.4
77.92020	1.8
83.04895	26.8
85.02818	4.2
87.00753	29.2
93.03325	3.3
95.01250	2.0
95.04887	11.5
97.02817	2.6
107.04940	2.7
109.06472	3.1
111.04414	12.4
111.08024	7.1
113.05915	3.7
117.03337	3.4
119.04929	8.4
119.08547	3.5
121.06483	16.7
123.08047	46.0
124.05197	4.9
129.06995	5.5
133.02855	9.9
135.04416	3.0
135.08029	2.4
137.02328	2.4
137.05992	2.8
137.09621	6.6
139.03989	1.9
139.07558	9.4
145.10129	7.3
147.04420	3.3
147.07999	2.5
151.07607	9.9
153.09106	5.9
165.09204	2.5
169.08815	2.0
169.10159	8.2
171.11714	57.9
171.13135	3.7
172.12057	3.9
175.11234	2.1
185.09554	2.5
189.12804	21.4
191.03416	19.6
191.79819	1.9
201.12819	23.4
207.13817	15.6
219.13821	9.8
237.14935	72.2
238.15216	6.0
281.06750	13.9
281.13950	100.0
282.14331	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	281.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71780	2.5
53.10571	2.9
53.82321	2.3
55.01756	3.2
57.03322	21.5
59.01243	28.6
65.03834	2.8
69.49387	17.6
69.49804	4.4
71.01264	4.2
71.04883	2.8
81.03364	2.3
81.81376	2.5
82.40299	2.2
83.01237	2.6
83.04894	26.3
84.46547	2.1
84.59166	2.3
85.02822	3.1
87.00751	20.4
87.04393	3.7
93.03326	3.4
95.04903	4.0
97.06468	2.6
98.20558	4.8
109.06467	3.4
111.04406	6.9
111.08059	5.3
112.01520	2.5
113.02248	2.5
113.05980	4.8
119.08575	3.1
121.06461	14.9
122.03606	2.8
123.08054	52.1
124.05290	3.6
135.08020	4.2
137.02353	4.2
137.09564	6.6
139.07532	9.9
145.10124	7.7
151.07510	7.3
153.09105	5.3
163.11255	3.0
169.08694	2.6
169.10091	6.4
171.11694	59.8
172.11981	3.5
177.09116	3.1
182.74506	3.0
189.12772	22.1
201.12773	18.1
204.48755	2.7
207.13870	15.4
219.13869	11.1
237.14917	80.1
237.17223	5.0
238.15234	7.2
239.12755	3.5
281.04617	6.5
281.13950	100.0
281.24808	8.6
282.14301	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	281.1394
Annotation	Carolenalol
Peak:m/z	Relative Intensity
55.01754	2.7
57.03327	20.0
59.01263	7.1
65.03831	2.3
67.27940	1.3
69.03336	1.8
69.40202	12.0
71.04896	1.6
73.15352	1.4
79.92125	1.2
81.03347	1.6
83.04904	20.8
85.02855	1.3
87.00751	26.4
95.04898	6.0
97.02879	2.2
97.06505	1.9
98.19824	2.4
101.05983	2.2
107.04866	1.7
107.91288	1.4
109.02930	1.7
109.06504	1.6
111.04404	10.9
111.08041	5.7
119.08546	3.3
121.06495	10.8
122.03587	1.6
123.08054	47.1
124.05197	4.0
129.06998	2.7
135.08026	1.6
135.50661	1.4
137.06023	2.4
137.09628	4.6
138.06787	2.3
139.07581	7.6
145.06519	1.6
145.10132	4.2
146.44781	1.4
151.07538	4.7
153.09128	6.4
169.08624	4.4
169.10139	3.7
171.11713	46.7
172.12123	1.9
187.11407	1.6
189.12799	18.8
201.12787	16.6
202.13129	2.0
207.13843	14.1
219.13861	8.2
237.14926	69.4
238.15305	4.6
281.13953	100.0
282.14404	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	281.103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	7.9
58.96559	1.8
59.01250	100.0
68.56990	2.0
71.01260	3.1
71.37241	6.5
83.04897	9.8
87.04382	12.8
119.04939	2.3
121.02861	11.5
123.08047	3.9
137.02347	5.6
137.09656	4.5
153.09152	3.7
162.06715	13.9
165.12903	2.0
171.11734	5.1
177.09132	17.4
189.12744	2.6
201.12810	3.7
219.13878	3.5
220.45616	2.3
221.08305	2.3
237.14972	19.0
239.12770	5.5
281.13950	9.7
281.24683	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	281.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	2.3
57.03319	4.0
58.00478	2.6
59.01254	66.0
69.95576	1.9
70.46331	4.7
70.46690	4.0
71.01253	100.0
72.99183	5.1
73.02821	21.8
73.83102	1.8
75.00750	5.0
83.01268	7.4
85.02826	29.3
87.00757	6.7
87.04375	2.6
89.02317	56.0
95.01251	4.9
97.02828	4.2
99.00745	7.4
101.02322	65.1
110.56142	1.7
113.01539	2.4
113.02325	39.7
114.61188	2.0
119.03391	22.1
119.07006	10.8
133.04985	10.0
143.03381	5.4
159.02869	8.1
161.04468	34.3
179.05533	5.4
180.91307	2.2
205.03534	2.6
233.53943	2.1
279.62836	1.9
281.08829	8.6
281.12384	37.3
281.24838	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	281.1394
Annotation	Carolenalol
Peak:m/z	Relative Intensity
55.01762	2.4
57.03325	28.4
59.01241	11.9
65.03831	5.9
70.32137	6.0
71.04893	3.6
80.02550	2.0
83.04901	24.3
85.02827	2.6
87.00748	29.6
87.31805	2.1
93.03325	3.1
95.01250	3.1
95.04894	8.8
97.02838	2.1
98.03630	2.9
98.20493	2.0
99.04388	2.2
99.54565	1.8
109.06463	3.5
111.04394	9.7
111.08051	6.7
113.05947	3.1
119.04874	2.5
119.08504	4.3
121.06503	16.1
122.03597	2.3
123.08037	55.0
124.05243	4.6
125.02311	2.1
125.09595	2.5
129.06969	2.8
133.02919	2.1
135.08067	2.6
137.06003	3.0
137.09583	6.9
138.06770	2.3
139.07530	7.9
145.10144	7.8
151.07539	8.1
153.09084	5.2
159.52893	1.9
163.11111	2.4
165.09128	3.6
169.08714	3.9
169.10162	7.4
171.11700	55.3
172.12083	3.4
185.09618	2.2
189.12772	22.5
191.03433	4.4
193.04860	2.4
201.12808	22.7
207.13861	12.7
219.13840	9.3
237.14911	76.9
237.17212	4.3
238.15213	4.3
281.06964	4.2
281.13953	100.0
281.24915	6.8
282.14130	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	281.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81689	1.6
55.01748	2.0
56.83427	1.7
57.03323	13.6
59.01247	15.9
60.70932	1.3
62.82320	1.4
68.22888	1.5
68.89539	1.3
69.26695	17.2
70.54589	1.4
71.01228	2.5
71.04871	1.5
73.02840	1.3
79.05422	1.6
80.02554	1.7
83.04892	6.9
85.02826	2.0
95.04884	7.5
97.02813	2.4
97.06486	3.8
101.25777	1.4
105.06993	2.2
106.96805	1.7
108.02132	1.8
109.02849	5.0
109.06413	1.7
111.04422	3.2
111.08062	4.2
113.05970	2.7
119.08565	4.9
121.06454	5.0
122.03620	3.6
123.08052	4.7
124.01527	1.5
124.05191	14.3
125.02314	3.3
125.05996	3.1
129.07005	4.8
135.04419	1.5
135.08061	2.8
137.02344	21.1
137.05966	4.3
137.09605	5.1
139.07544	24.6
143.08554	3.6
147.07973	1.6
149.05959	2.1
151.07559	2.8
155.08554	2.6
159.11687	2.0
163.03850	1.5
163.07512	2.0
169.08774	2.8
169.10092	8.4
171.11708	100.0
172.12117	3.9
175.11176	3.8
175.94208	1.6
177.05502	18.3
177.09152	1.4
178.06235	9.3
185.09673	2.8
187.11203	18.3
188.11520	2.4
189.12761	29.6
193.08650	1.9
201.12737	13.4
207.13832	10.6
215.10712	3.5
217.12303	5.3
219.13846	4.2
237.14938	36.4
238.15384	2.3
280.62537	1.5
281.13934	87.2
282.14264	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	281.1032
Annotation	4-Keto-clonostachydiol
Peak:m/z	Relative Intensity
50.56845	0.2
54.26663	0.2
55.01759	0.3
57.03319	1.5
58.00481	0.2
59.01242	1.9
60.36365	0.2
65.00200	1.5
65.03857	0.3
67.01769	0.9
68.99671	0.3
69.03328	2.5
69.30457	2.3
71.01254	1.7
71.04893	0.8
73.02827	0.5
79.01752	0.4
80.02563	0.4
81.03332	8.4
81.06992	0.3
81.61204	0.2
83.01253	3.1
83.04902	0.8
83.86337	0.2
85.02832	0.8
90.26727	0.2
93.03337	3.2
95.01263	5.8
95.04903	5.1
97.02832	13.2
97.91569	0.2
98.03194	0.5
98.20166	1.1
99.08038	5.2
101.05966	3.1
107.01269	1.0
107.04901	1.7
108.02046	0.6
108.09750	0.2
109.02839	3.8
109.06503	0.6
110.98630	0.2
111.04412	2.5
113.02335	3.7
121.02847	0.7
121.06449	0.4
122.03633	0.5
123.00785	0.5
123.04400	0.5
123.08045	8.5
124.01575	0.2
125.00996	0.3
125.02343	15.0
125.05973	17.2
126.02696	0.6
126.06342	0.4
127.03894	0.3
135.00772	0.4
135.04434	1.0
135.08084	0.4
136.01578	0.5
136.05220	1.4
137.02347	12.6
137.05975	0.3
137.09605	0.9
137.75121	0.2
138.03043	0.5
139.03917	0.4
141.09119	3.1
147.08020	1.8
148.70323	0.2
149.02301	0.3
149.06009	0.3
149.09622	0.7
150.06761	0.3
151.00259	1.6
151.03938	1.2
151.11194	0.7
153.01846	0.2
153.09119	0.4
155.03418	9.3
159.08028	0.4
161.02325	0.2
163.00270	2.2
163.07561	0.3
164.00989	0.2
164.08360	1.1
165.01889	1.1
165.09129	35.1
166.02675	1.3
166.09462	1.5
167.03461	1.1
167.07053	2.5
173.09607	0.2
177.09161	1.1
178.09966	0.3
179.03360	1.0
179.10701	5.4
180.11098	0.2
181.08653	0.4
190.99675	0.2
191.07069	2.1
191.10725	3.4
193.08656	1.1
195.10211	0.6
197.04494	7.5
198.04781	0.3
203.07019	2.9
207.06650	0.5
207.10266	0.8
209.08141	100.0
210.08469	5.8
212.67322	0.2
213.11253	0.5
214.97650	0.2
217.08612	0.4
219.10158	2.0
221.08138	29.1
222.08467	2.0
223.09702	1.4
233.08167	0.3
235.09715	6.1
236.10060	0.4
237.11288	0.7
239.09061	0.3
245.08113	0.6
248.06895	1.0
251.09244	3.5
263.09238	9.3
264.09589	0.5
281.10300	98.7
282.10657	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	281.0455
Annotation	Damnacanthal
Peak:m/z	Relative Intensity
59.01246	0.5
59.77588	0.4
69.71838	3.0
77.74744	0.3
91.01761	3.2
91.41280	0.4
117.03332	0.8
125.09628	0.4
132.02080	1.3
133.02856	2.7
135.00772	2.8
144.16975	0.4
153.01804	1.1
160.01515	0.4
167.04921	1.7
169.06477	0.7
180.05728	1.9
181.06461	0.8
183.04494	0.7
185.05995	1.4
195.04463	2.7
196.05234	1.8
197.06033	2.7
208.05269	3.3
209.06033	5.4
211.03954	1.8
217.89915	0.4
223.03960	4.1
224.04698	5.4
225.05504	5.6
237.14989	0.6
251.03426	4.0
252.04268	5.8
253.05037	57.3
254.05389	4.1
279.03006	1.6
280.03650	0.5
281.04553	100.0
281.24808	0.5
282.04910	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	6.1
64.24800	0.9
65.97219	0.9
71.01248	3.1
71.58949	1.4
92.14772	1.2
101.02348	2.0
107.08550	42.1
108.08871	1.8
120.72324	1.2
125.09602	3.3
132.43678	1.0
138.23996	1.1
141.12755	2.4
163.14830	2.3
171.10185	100.0
171.53337	1.1
172.10564	4.8
185.11780	5.2
197.11842	2.4
217.19591	7.2
219.02992	1.3
235.17050	3.6
261.18591	95.8
262.18942	9.3
279.19687	64.4
279.23102	6.1
280.19992	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2328
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
51.43759	0.4
59.01244	0.4
63.64724	0.4
63.91327	0.4
64.35073	0.4
67.34341	0.4
70.88901	0.9
70.89291	1.3
158.05772	0.5
248.90359	0.4
261.22324	0.5
279.23291	100.0
280.23651	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	280.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74070	0.9
59.01253	8.2
63.44025	0.9
65.01309	0.9
65.94571	1.0
69.45232	9.5
70.02859	3.9
71.01263	7.9
72.00780	19.3
72.99191	1.1
73.02830	1.4
82.02855	3.3
85.01566	1.4
88.03933	2.2
91.05411	7.5
96.00761	6.4
98.20586	2.1
99.00732	5.0
109.01578	100.0
110.01916	3.0
114.01141	0.9
114.01822	4.9
115.00279	2.3
117.03371	1.2
118.06507	14.6
119.04936	1.9
127.02679	2.0
135.04382	1.4
136.57561	1.1
142.79053	1.2
147.04416	41.4
147.08144	2.4
148.04784	1.9
148.07610	2.5
164.07080	91.6
165.07419	4.4
171.11707	1.0
173.03732	1.0
173.06100	1.2
174.09149	4.4
175.07574	2.1
176.07069	21.9
177.05467	1.4
177.07365	1.6
190.08641	1.7
200.07088	7.2
202.05127	1.2
218.08173	4.3
220.06151	1.9
221.88846	1.0
244.06114	59.8
245.06538	4.8
262.07141	12.3
263.07562	1.0
280.08331	1.3
281.14041	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	281.0456
Annotation	3-Hydroxy-8,9-methylenedioxypterocarpene
Peak:m/z	Relative Intensity
59.01253	0.2
65.00207	0.3
69.58315	0.9
69.58737	0.8
76.06100	0.2
91.01770	4.0
98.20525	0.4
114.77401	0.2
117.03323	0.5
132.02069	1.6
133.02873	2.6
135.00774	2.8
139.05466	0.3
143.04944	0.6
144.78426	0.3
153.01859	1.4
153.07056	0.3
160.01514	0.4
161.02408	0.4
162.05141	0.3
167.04930	1.5
169.06529	1.1
180.05746	1.3
181.06470	1.2
182.03735	0.5
183.04433	0.8
185.06029	1.1
195.04439	2.6
196.05223	2.2
197.05974	3.2
198.06218	0.3
207.04485	0.3
208.05257	3.9
209.06006	5.4
211.03960	1.4
213.14879	0.5
223.03958	4.8
224.04741	6.2
225.05518	5.9
226.05913	0.3
241.05019	0.3
251.03465	4.6
252.04276	5.5
253.05042	58.9
254.05380	4.8
266.05820	0.3
267.03003	0.4
279.02954	2.0
280.03574	0.6
281.04556	100.0
282.04895	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	279.1965
Annotation	12S-HHTrE
Peak:m/z	Relative Intensity
50.78445	0.7
55.95434	0.6
57.03324	3.2
59.01252	3.8
61.65403	0.6
71.04891	0.8
71.16298	1.3
73.36938	0.6
79.37671	0.7
83.04893	1.5
89.02361	0.7
96.95890	1.4
99.08031	22.8
103.93144	0.6
109.06472	1.1
110.07130	0.6
123.07993	1.3
125.09592	3.0
135.07933	0.7
149.09676	0.7
167.10699	2.6
177.12767	0.8
179.10655	1.7
181.22586	0.7
185.11780	1.7
195.13853	3.2
197.11768	0.8
233.12738	0.6
235.17030	3.0
235.20631	2.3
261.18610	1.3
279.19659	100.0
279.23099	7.9
280.19980	8.5
280.23492	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66998	1.1
57.03326	1.4
59.01247	2.5
64.52230	0.9
65.62345	0.8
66.59085	0.9
69.95464	0.9
69.95794	5.5
71.01260	1.4
91.18117	0.9
93.32066	0.9
96.43872	0.8
96.95876	2.4
97.06506	1.0
123.08050	2.0
125.09637	3.9
127.26999	0.8
135.08093	2.6
141.12730	1.2
185.11742	9.7
195.54716	0.9
197.11806	2.7
242.61922	1.0
279.19681	100.0
279.23172	13.2
280.20200	7.1
280.23044	1.6
300.98816	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1451
Annotation	Hexane-1,5-diol 1-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01767	5.5
57.03320	4.0
59.00953	4.3
59.01250	67.5
69.54541	21.7
71.01256	100.0
72.99187	8.2
73.02821	26.3
75.00767	3.4
79.35022	2.8
79.35638	2.6
83.01264	11.5
85.02827	42.7
87.00738	4.8
89.02323	32.4
89.04337	3.1
95.01271	7.8
99.00755	15.1
101.02324	76.9
113.02354	42.6
117.09061	2.9
119.03402	13.4
124.38673	2.8
125.02304	3.9
129.01828	2.9
132.02950	11.5
133.03275	5.2
143.03401	4.9
159.02899	12.4
161.04457	38.8
279.14554	21.7
284.57101	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1967
Annotation	Chabrolol B
Peak:m/z	Relative Intensity
59.01255	6.1
64.24800	0.9
65.97219	0.9
71.01248	3.1
71.58949	1.4
92.14772	1.2
101.02348	2.0
107.08550	42.1
108.08871	1.8
120.72324	1.2
125.09602	3.3
132.43678	1.0
138.23996	1.1
141.12755	2.4
163.14830	2.3
171.10185	100.0
171.53337	1.1
172.10564	4.8
185.11780	5.2
197.11842	2.4
217.19591	7.2
219.02992	1.3
235.17050	3.6
261.18591	95.8
262.18942	9.3
279.19687	64.4
279.23102	6.1
280.19992	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1238
Annotation	Epilaccishellolic acid
Peak:m/z	Relative Intensity
52.72229	1.3
53.69801	1.3
55.01742	1.6
55.54323	1.3
57.03328	7.6
57.09737	1.5
59.01253	2.0
59.57787	1.3
69.03326	4.0
71.57507	2.4
79.05408	2.1
81.03329	3.1
83.04895	5.1
85.02773	1.4
85.99958	2.5
87.04350	1.7
92.88988	1.5
95.04873	3.9
96.95876	5.1
97.02828	7.7
97.06462	2.5
99.04388	5.4
107.04909	2.0
109.02860	2.1
109.06457	4.2
111.04404	4.0
121.06441	5.0
123.08043	6.4
124.05180	1.8
125.06013	8.0
133.06476	2.4
135.08041	2.2
136.05208	14.1
137.05920	1.9
137.09610	3.7
139.07547	8.0
147.08043	3.4
147.11696	1.7
151.07552	100.0
151.11127	8.6
152.07869	3.5
156.09311	2.4
157.28795	1.4
158.07153	2.6
161.09616	2.8
161.11862	1.7
162.06781	2.8
165.05516	2.3
165.09076	2.3
166.06268	1.6
167.07018	2.9
168.07825	25.4
169.08559	4.4
171.08057	3.7
171.11682	6.7
173.09605	6.1
175.11169	3.3
177.09079	1.7
179.07045	4.0
179.10645	3.0
184.08873	18.0
187.11211	13.6
189.12817	11.5
199.11220	10.8
201.09111	9.1
202.09843	4.9
205.12279	30.3
206.12622	4.0
215.10680	6.4
217.12279	45.2
218.12639	2.7
235.13327	5.7
261.11340	4.1
279.09061	4.7
279.12350	18.9
279.23264	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1237
Annotation	Tanargyrolide
Peak:m/z	Relative Intensity
59.01233	1.7
65.00170	2.9
70.79842	2.8
70.80146	2.7
71.01268	2.4
72.99170	3.7
83.01243	2.3
87.00736	2.2
99.00781	1.6
109.99988	2.8
111.00757	20.8
117.85242	1.6
121.63666	1.6
123.00756	1.9
124.01526	12.3
125.02357	3.2
127.00274	9.6
132.31218	1.8
136.29108	1.6
136.98686	13.4
139.00256	25.0
139.07593	2.0
140.01051	40.0
144.41373	1.8
145.35844	1.7
154.99756	4.1
155.04327	1.7
168.00554	67.4
169.01215	5.8
174.21060	1.7
208.17180	1.9
235.13292	9.3
249.07617	2.2
279.12369	100.0
279.23273	10.9
280.12750	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	279.1086
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
51.23835	1.7
57.03347	3.2
58.00470	5.4
59.01253	100.0
63.73053	1.8
70.06178	9.9
71.01255	70.6
72.99197	6.2
83.01262	3.3
83.89121	2.2
85.02824	13.4
89.02323	79.2
95.01285	2.6
99.04407	7.9
101.02335	48.8
113.02344	26.2
117.05480	6.4
119.03400	36.5
131.03357	2.8
143.03391	3.2
144.13489	2.3
161.04532	2.9
176.14546	2.4
178.42824	2.0
203.05833	1.9
279.10855	59.3
280.11481	2.8
280.64423	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	279.1237
Annotation	Nigellic acid
Peak:m/z	Relative Intensity
52.75962	1.1
54.68227	1.1
57.03323	14.8
70.88482	3.1
70.88822	1.5
81.03347	1.6
83.04884	2.7
83.55906	1.4
85.44814	1.4
95.04916	2.6
97.02834	8.2
97.06456	3.2
107.04929	1.8
109.02834	5.1
109.06461	7.2
111.04398	5.4
119.08547	2.7
121.06487	5.4
122.03625	16.5
123.04425	3.0
124.05182	18.7
125.05949	5.2
135.04388	1.6
137.05991	11.0
139.07542	100.0
140.07861	3.1
147.08066	4.9
161.09605	1.6
163.07501	1.8
163.11195	2.1
168.07826	26.8
169.08385	2.0
171.08003	2.4
175.11172	2.8
177.12769	2.2
185.09824	1.5
187.11198	19.1
189.09099	1.7
190.09894	5.5
205.12274	33.7
206.12680	2.2
231.10294	1.6
235.13361	4.1
249.11263	1.9
279.12512	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	277.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52684	0.5
59.01254	9.7
71.01237	0.8
71.28129	0.4
71.41509	0.4
79.95605	0.6
81.95203	0.5
83.04936	0.5
86.39217	0.5
90.98295	0.5
96.31863	0.4
98.19747	0.7
98.81111	0.4
121.02794	0.8
133.02870	1.2
138.49936	0.4
152.91632	1.0
167.28972	0.4
177.01848	0.7
190.47174	0.4
194.92831	1.0
194.95395	0.5
205.15938	2.3
233.15392	0.5
233.19049	1.2
259.20670	0.6
262.12061	0.8
269.95459	0.4
277.18130	17.6
277.21683	100.0
278.18414	1.4
278.22040	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	277.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86327	0.2
59.00953	0.3
59.01253	5.3
69.69066	1.7
71.01244	0.4
75.67358	0.2
79.95605	0.3
80.80003	0.2
83.04926	0.3
98.19899	0.4
102.14341	0.2
114.67963	0.2
121.02827	0.3
121.71949	0.2
175.73410	0.2
205.15891	0.7
219.14000	0.3
233.19168	0.5
233.22719	1.1
259.20663	1.0
275.20221	0.5
277.18329	6.8
277.21704	100.0
278.18610	0.7
278.22049	8.5
294.41055	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.0669
Annotation	N-(E-4-coumaroyl)-aspartate
Peak:m/z	Relative Intensity
51.34908	1.7
55.57820	2.0
69.86405	7.7
69.86812	3.2
71.01250	13.3
75.68449	1.9
79.98340	1.8
86.27022	2.6
88.03908	2.5
93.03344	8.9
94.52937	1.8
98.20535	2.5
106.14359	2.1
108.02077	1.8
114.01853	25.6
115.00252	26.4
117.03364	2.0
119.04912	100.0
120.05229	3.0
132.02930	16.8
145.02847	11.4
146.06081	3.9
147.04393	6.1
162.05531	26.5
163.03873	18.3
164.73532	2.2
190.08643	4.0
209.57213	2.1
216.06578	8.4
234.07707	4.0
278.06696	35.1
279.06854	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	279.1086
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
57.03312	2.0
57.17392	1.1
58.00465	3.3
59.01253	94.9
71.01256	56.7
71.04881	5.1
71.57470	2.3
72.99173	5.2
73.02818	2.4
83.01243	2.5
85.02827	13.5
87.00739	2.6
89.02319	64.0
95.01249	3.8
99.04395	23.1
101.02325	35.1
102.02668	1.6
113.02328	22.7
116.22758	1.0
117.05466	29.1
119.03397	25.8
131.03377	2.4
134.04674	1.4
143.03409	1.8
159.06485	1.8
160.02473	2.8
161.04446	1.8
166.18190	1.2
179.05490	4.0
211.14949	1.4
279.10852	100.0
280.11139	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	277.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02855	2.5
59.01249	100.0
69.82367	2.0
71.01247	9.4
71.56515	2.1
71.57003	3.9
73.02817	2.6
83.01242	2.8
85.02827	3.5
96.68355	2.0
98.55605	2.6
101.02317	10.6
107.63641	2.4
109.06456	2.7
113.02300	3.9
113.32290	2.1
121.02788	2.3
131.03619	6.0
161.04498	3.3
197.57147	2.5
235.11893	10.9
277.21667	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	277.1661
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
54.93981	0.4
59.01333	3.6
60.97454	0.5
71.01327	0.6
90.65894	0.3
93.41141	0.4
94.82564	0.3
98.20557	0.9
103.02148	0.4
104.94638	0.4
118.66476	0.4
121.03169	5.4
133.65155	0.4
136.97295	0.5
140.01468	0.4
146.99377	0.6
147.08385	4.3
149.00864	0.8
153.32010	0.4
163.02553	0.4
165.00366	13.3
171.85568	0.4
180.99963	1.5
183.01442	0.8
186.68503	0.4
189.04086	1.6
191.05583	12.0
192.05679	0.8
205.07210	1.6
205.15871	1.2
207.05069	0.9
217.07242	0.7
231.08676	2.0
233.10312	100.0
234.10471	9.2
251.11351	0.6
259.15518	0.9
277.16547	85.3
277.21252	18.7
278.16776	9.7
278.21585	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56403	0.3
59.01251	9.6
71.01244	0.8
71.15559	0.9
78.95746	0.5
79.95602	0.6
83.04913	0.4
118.93707	0.3
120.58463	0.3
121.02794	0.6
127.07545	0.4
133.72624	0.3
140.39781	0.4
152.91646	0.5
194.92734	1.3
194.95430	0.4
205.15889	1.9
233.19032	1.0
233.22623	0.8
259.20621	0.8
272.50473	0.3
275.20093	0.6
277.03482	0.5
277.18140	17.5
277.21683	100.0
278.18423	1.5
278.22037	7.9
292.82187	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
57.99397	0.4
59.01260	0.7
70.91054	0.8
71.01263	0.5
84.94894	0.3
101.22488	0.3
101.92850	0.4
127.07532	0.4
138.94870	0.3
173.30666	0.4
233.22707	0.6
275.20068	0.6
277.21722	100.0
278.22043	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	273.186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23416	1.0
57.03311	1.3
59.01252	18.5
71.01254	1.6
71.35487	2.0
80.62352	1.0
81.03282	1.1
81.90826	1.2
83.04906	1.5
103.79185	1.0
117.07024	1.3
119.08542	2.2
119.62447	1.3
121.10115	3.7
137.49106	1.1
147.04286	1.2
147.08069	2.5
147.11688	1.9
160.50958	1.0
163.11208	1.6
171.69548	1.1
175.14859	12.7
179.10884	1.3
195.13860	2.4
201.16473	1.7
202.26031	1.2
229.19579	45.1
230.19890	3.5
242.86363	1.2
255.17560	2.5
273.18597	100.0
274.18933	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	277.0354
Annotation	Nepenthone A
Peak:m/z	Relative Intensity
68.99673	0.2
70.22395	0.9
74.39543	0.2
98.20506	0.4
117.03326	0.3
121.02851	0.8
123.98669	0.3
132.02100	0.3
133.02882	0.9
144.02068	0.5
145.02907	0.5
146.03665	0.9
147.00757	0.9
149.02356	0.4
150.03111	0.7
152.01088	0.4
160.01627	0.4
160.51959	0.3
161.02354	5.7
162.03127	1.2
163.03906	0.3
165.01849	0.3
165.05482	4.6
166.02637	8.8
167.03001	0.6
173.02348	0.5
174.03114	0.3
175.03943	1.0
176.00964	0.8
177.01855	1.9
177.05476	2.0
187.03865	0.4
189.01860	7.9
190.02626	6.6
191.03075	0.4
193.01353	8.3
193.04988	6.4
194.01860	0.3
194.05302	0.5
203.03436	14.5
204.03848	0.9
205.01353	2.8
205.05002	1.0
206.02026	1.0
218.02109	1.5
220.03712	0.6
221.00888	0.9
221.04507	3.9
231.02957	13.3
232.03471	1.1
233.04521	0.8
248.03246	1.6
249.04021	39.3
250.04329	2.8
254.23575	0.3
259.02463	0.3
277.03519	100.0
278.03851	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	277.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.3
58.02850	46.8
59.01255	10.2
66.03358	2.3
71.57240	3.6
72.00774	2.3
74.02345	31.4
84.04419	18.9
92.04945	6.8
93.03377	4.0
96.95860	4.2
98.02363	8.8
115.96880	2.2
116.03419	15.4
116.04950	10.7
118.02913	3.5
118.06517	2.7
120.04451	6.7
125.02393	3.8
128.03430	12.2
128.04967	3.0
130.06534	26.8
131.03665	100.0
132.04030	2.3
144.04439	37.2
146.02390	3.8
146.06041	12.6
147.03148	8.6
148.03955	30.6
154.05251	3.8
155.06035	16.2
156.04381	3.2
160.03947	16.1
161.04704	4.7
162.05508	5.8
172.03929	3.2
173.07109	15.0
174.05524	48.8
189.06683	9.2
190.05060	18.3
191.08141	4.4
197.06833	2.5
215.08191	8.3
217.06111	10.9
218.04533	5.8
233.09303	13.4
235.07161	6.8
277.08276	43.9
277.11078	3.2
277.21866	3.7
278.08646	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	277.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65653	1.4
53.14925	1.5
58.02848	17.0
59.01246	14.4
60.78835	1.4
63.74814	1.4
71.01249	3.2
71.59613	2.6
73.02827	1.7
79.80751	1.6
84.04414	4.7
88.03955	1.8
92.04955	3.5
93.35165	1.7
99.00758	2.6
104.47978	1.7
108.04412	2.3
113.02298	1.4
115.00266	1.9
117.83117	1.8
118.02830	2.4
118.06525	3.7
120.04436	1.7
128.04976	6.7
129.05736	5.5
130.06522	92.1
131.03651	9.5
131.04886	4.0
131.06871	5.7
132.02936	5.3
144.04449	35.5
145.02913	3.0
146.06035	28.7
161.02396	4.4
161.04675	5.3
172.03917	5.5
174.05527	100.0
175.05849	5.4
177.01886	1.9
183.88503	1.5
190.05037	72.8
191.05325	3.1
215.08247	3.6
218.04530	7.9
233.04619	1.9
235.06810	1.6
277.08078	2.4
277.21634	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	273.098
Annotation	Xylomollin
Peak:m/z	Relative Intensity
57.03322	6.5
59.01241	13.3
65.00202	2.0
71.01254	2.0
71.57533	1.3
83.01250	3.1
88.03922	2.5
97.06467	1.8
99.36876	1.4
109.02879	1.4
111.00791	1.7
123.08054	19.5
125.02374	3.8
125.09602	12.8
133.06462	2.8
135.04420	3.2
139.11140	8.6
141.09113	1.9
146.29620	1.5
149.09647	6.2
151.00241	3.4
151.07532	21.4
157.29980	1.4
159.04366	1.7
167.07224	1.7
167.10660	18.4
169.08623	14.1
173.06117	1.8
175.03896	2.2
177.05499	2.5
183.10168	7.9
190.02516	2.6
193.08765	1.9
195.06596	4.1
201.05458	3.4
205.04977	2.6
207.62398	1.5
211.03894	2.1
211.09657	3.0
213.07631	54.7
214.07922	2.9
227.03407	3.7
229.05052	2.9
237.07558	3.3
245.04527	2.8
255.08717	4.9
261.01471	1.7
273.04047	9.8
273.09793	100.0
274.10147	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	273.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	2.2
59.01245	0.9
63.02279	0.9
65.00195	3.2
69.03330	0.4
69.46384	1.1
69.46783	2.7
70.84924	0.4
76.15802	0.4
78.98450	0.5
81.03329	27.4
82.03693	0.7
83.01253	9.1
83.01706	0.6
93.03337	11.6
95.01286	0.7
95.04926	0.9
99.04406	0.5
107.01262	3.5
109.02835	0.4
111.04393	0.6
119.04918	24.5
120.05288	0.9
121.02840	0.6
122.03632	0.7
122.75649	0.5
123.04414	47.6
124.01614	0.5
124.04756	1.5
125.01424	0.9
125.02337	14.7
135.04407	2.2
137.02283	0.5
147.04433	0.9
149.02344	0.6
151.00256	6.0
152.00780	0.5
160.48125	0.5
163.34296	0.5
166.02646	0.7
167.03416	100.0
168.03761	3.8
169.06503	1.1
171.04359	0.9
179.03423	8.4
187.07550	0.9
189.05522	4.4
211.07578	0.8
229.08644	1.3
245.04590	0.6
255.06442	1.3
258.05463	0.6
273.07678	51.9
274.08035	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	273.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
62.02974	1.2
65.00212	1.8
65.03819	1.3
67.01759	1.9
70.71863	3.8
73.61890	1.2
78.45249	1.2
78.95776	1.2
79.05427	1.3
79.95628	1.5
80.43659	1.2
81.03330	70.7
87.48587	1.0
87.72965	1.0
88.83659	1.1
93.03340	10.7
96.95902	9.0
105.03326	6.2
106.04138	5.6
107.01247	3.7
108.02029	4.6
109.02838	6.5
114.86613	1.2
121.02843	2.7
122.03618	5.3
123.04409	85.4
124.04743	3.2
125.02357	1.2
134.53517	1.1
136.01639	1.2
137.02322	5.2
138.03107	2.0
149.02345	30.0
150.02670	1.8
152.04610	1.9
167.03401	2.7
185.05998	10.0
211.07579	3.5
227.07100	8.5
229.08667	23.9
230.08978	1.8
244.66754	1.2
255.06602	100.0
256.06979	7.8
273.07666	74.0
274.08041	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	273.0402
Annotation	1,3,5,6-Tetrahydroxy-8-methylxanthone
Peak:m/z	Relative Intensity
59.01247	1.2
59.85621	0.4
63.02272	0.8
65.00198	3.5
69.97896	2.6
71.12683	0.5
75.33968	0.4
81.03333	0.8
81.07652	0.4
83.01264	3.5
84.74500	0.5
91.05386	2.0
93.03320	1.0
95.01258	1.5
98.20508	0.6
107.01238	1.5
117.03349	4.5
119.04920	3.7
121.02808	1.4
123.04365	0.6
125.02318	0.6
129.06947	0.5
130.04092	0.6
131.04929	0.8
133.02890	1.0
133.06491	0.7
135.04407	11.9
136.04831	0.7
143.04904	2.0
145.02858	8.1
147.08038	0.6
149.02281	0.6
151.00259	0.9
155.81557	0.5
156.05701	0.7
157.06491	7.5
158.03615	1.1
158.06737	0.8
159.04417	10.5
160.04724	0.8
161.02359	6.0
161.05920	2.0
163.03915	11.5
164.04274	0.8
167.03514	0.5
167.04922	1.4
173.05952	1.0
177.01906	0.9
177.05476	16.2
183.04431	0.6
185.06003	13.2
186.06355	0.9
187.03931	17.6
188.04306	1.2
189.01862	33.2
190.02177	2.2
200.04683	1.1
201.01903	0.6
201.05516	9.7
202.05769	0.9
203.03343	0.6
205.04997	37.7
206.05338	1.6
211.03935	15.4
212.04280	0.9
217.01477	0.8
227.03499	0.9
229.05014	100.0
230.05339	6.4
231.02945	57.5
232.03255	3.2
245.00877	1.3
255.02913	1.6
273.01019	1.1
273.04041	32.6
274.04327	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	273.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.7
65.00192	2.2
68.16198	0.4
70.77545	1.0
70.77924	0.7
79.05431	0.6
81.03328	29.0
82.03671	0.8
83.01257	7.7
93.03317	5.7
95.04893	1.2
98.20192	0.5
107.01274	1.8
107.25371	0.5
119.04913	26.5
120.05244	1.1
123.04407	40.2
124.04739	1.4
125.02332	13.0
135.04427	0.9
151.00288	4.0
166.02580	1.0
167.03410	100.0
168.03749	4.2
179.03450	3.8
187.07605	1.3
189.05447	3.4
229.08670	1.9
255.06602	0.7
273.07675	65.8
274.08026	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	273.0401
Annotation	1,3,5,6-Tetrahydroxy-8-methylxanthone
Peak:m/z	Relative Intensity
50.06781	1.0
53.42651	1.2
57.03317	1.8
63.02257	3.2
63.52266	1.0
65.00191	10.8
71.20261	2.5
83.01258	6.6
87.36373	1.4
91.05455	1.2
93.03322	2.6
95.01259	3.4
97.02831	1.5
107.01257	10.6
107.04915	2.3
109.02830	3.5
112.38509	1.2
115.05415	2.5
117.03342	3.5
119.04994	1.2
121.02840	1.5
125.02328	14.7
130.04106	1.5
131.04932	5.0
133.02855	3.7
133.06488	1.5
135.00716	2.6
135.04414	12.7
137.02354	2.0
143.04927	2.1
145.02844	3.2
145.06514	1.8
147.00775	3.8
147.04382	1.5
151.00266	15.6
155.04935	2.2
157.06470	4.4
158.03656	1.9
159.04411	15.2
161.02344	11.6
161.05971	2.6
163.00246	6.1
163.03873	4.9
170.03741	1.5
171.04408	1.5
173.02472	1.6
173.05984	6.2
174.03110	3.9
175.00233	4.7
175.03911	12.5
177.01836	11.8
177.05482	8.8
182.03578	1.4
183.04475	7.8
185.02367	2.8
185.05968	3.1
187.03905	8.0
188.01123	1.3
189.01837	13.6
189.05507	2.2
190.02654	7.9
199.03917	5.4
201.01874	6.8
201.05501	16.1
202.02623	4.4
203.03462	14.8
205.04977	13.5
211.03940	5.3
212.73210	1.2
213.01891	4.6
214.02609	4.0
217.01355	2.4
217.04997	8.2
227.03448	22.5
228.03900	3.5
229.01440	2.8
229.05051	19.4
230.02136	18.8
231.02954	16.5
245.00803	3.5
245.04520	20.0
246.04755	1.4
255.02956	19.7
256.03458	1.5
258.01611	2.1
272.03223	1.3
273.00620	4.4
273.04022	100.0
274.04346	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	271.2279
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
50.59876	0.7
55.30603	0.7
59.01242	0.8
60.55647	0.7
91.70798	0.8
125.02347	1.3
146.21895	0.6
197.19118	0.8
221.19092	1.3
223.20499	3.9
225.22183	65.3
226.22565	6.1
229.66632	0.8
242.59894	0.7
253.21701	1.8
271.22775	100.0
272.23114	7.7
273.27805	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2276
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
57.03313	0.5
66.92696	0.5
71.57866	0.8
74.95370	0.5
75.40868	0.4
125.02331	2.3
217.00662	0.5
225.22179	3.3
253.21602	1.8
258.59085	0.6
269.21243	0.8
271.06207	0.8
271.22778	100.0
272.23117	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	271.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12784	0.5
51.61030	0.4
65.03829	1.7
69.31399	1.6
69.31826	3.1
80.02555	0.8
83.81909	0.4
88.08318	0.4
91.05408	16.5
93.03349	5.1
105.03339	1.0
108.02050	21.6
109.02845	2.8
119.04931	1.8
121.02842	100.0
122.03098	4.1
123.04406	36.3
124.04745	1.2
124.38822	0.4
125.02350	1.3
128.84297	0.6
133.02850	8.9
134.03632	28.0
135.04416	69.3
136.04747	3.1
145.02885	0.6
146.03667	0.8
147.04427	21.5
148.04831	1.0
149.05984	59.0
150.06329	2.6
197.28401	0.5
238.06244	0.6
241.05048	0.7
255.06633	1.4
256.07312	1.0
271.09741	59.9
271.22845	1.2
272.10120	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	271.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30465	0.7
59.98856	0.6
65.03845	4.1
65.23106	0.6
67.01756	1.8
69.92402	0.6
70.87135	1.0
73.51809	0.7
80.02558	0.7
81.03304	1.4
83.04920	0.8
91.05412	12.9
93.03346	4.9
95.01279	1.4
108.02049	12.3
109.02840	53.7
110.03170	2.2
111.00790	1.6
119.04861	0.8
121.02839	14.9
123.04420	13.1
125.02353	2.7
128.01059	0.8
133.02876	3.3
134.03642	10.8
135.04419	80.2
136.04779	3.6
145.69617	0.7
146.03590	0.8
147.04408	15.7
148.05124	0.9
149.05988	18.3
150.06354	0.9
172.05304	1.0
173.05923	0.8
185.05908	1.1
186.06757	2.1
187.07515	0.9
188.04718	1.0
197.06032	5.0
199.03922	3.5
210.06836	0.9
211.04178	0.7
211.07652	1.5
212.08258	3.5
213.05533	2.5
214.06322	6.5
224.22847	0.7
227.03491	0.8
227.06973	0.8
227.10739	0.7
229.08650	4.0
237.05525	1.5
238.06299	3.2
241.05031	7.1
242.05438	0.9
253.08644	3.1
255.06570	1.4
256.07367	8.5
271.09763	100.0
271.22736	2.3
272.10101	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	271.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58789	0.3
58.89933	0.5
65.89116	0.4
69.29188	4.3
69.37338	0.4
80.02544	2.2
88.57300	0.4
91.01774	0.7
93.03335	1.4
95.04893	0.5
98.19792	0.6
107.01287	1.3
108.02055	49.8
109.02258	0.7
109.02845	1.6
117.03384	0.5
119.04899	1.5
121.02849	7.1
122.03670	2.0
123.04411	100.0
124.01522	0.5
124.04742	2.9
125.02360	2.4
133.02850	1.3
134.03632	1.2
135.00731	0.7
135.04401	2.3
136.01543	1.6
137.02353	1.8
139.03854	0.5
147.04413	1.3
148.01640	0.4
149.02347	4.0
149.05963	1.1
150.03162	4.8
151.03889	1.2
153.01831	0.8
162.03134	1.3
165.01848	13.3
166.02159	0.7
179.03426	11.0
180.04201	3.3
182.79424	0.4
193.06534	1.7
209.06030	0.6
212.03214	0.7
221.06070	0.8
233.80022	0.4
243.06473	0.4
253.08760	1.6
256.03748	1.4
256.07516	0.6
271.06201	5.3
271.09732	56.4
271.22693	2.3
272.10077	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	3.4
59.01246	0.5
69.30048	0.4
69.67216	3.2
80.02557	1.4
81.03345	0.5
83.01254	1.1
91.05397	0.4
98.19809	0.6
107.01254	0.7
108.02049	53.0
109.02287	0.7
109.02917	0.8
111.00794	0.5
117.03296	0.7
119.04902	1.1
121.02840	9.2
122.03638	0.9
123.04405	100.0
124.04734	3.4
125.02336	23.9
126.02683	0.8
133.02849	2.0
134.03629	2.8
135.04408	3.2
136.01511	1.2
137.02351	2.3
143.04857	0.5
145.02832	5.6
146.03592	1.7
147.04382	0.6
149.02338	3.0
149.06006	2.8
150.03059	0.9
151.00267	0.5
151.03911	0.9
159.04468	3.0
161.02284	0.6
161.05974	1.9
161.31059	0.5
162.03195	1.0
165.01831	13.2
167.04776	0.5
179.03426	12.1
180.04155	2.8
183.04422	0.5
185.05933	1.7
187.03844	1.7
193.06473	1.3
203.07013	0.7
210.06668	0.5
212.03123	0.9
213.05597	0.6
221.06038	1.1
225.05486	0.6
227.07016	1.2
240.04161	2.1
241.05107	1.1
253.05051	1.6
253.08719	1.0
255.06659	4.0
256.07346	3.0
271.06177	9.1
271.09720	59.8
271.22775	1.9
272.06885	0.8
272.10022	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	271.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03822	6.2
67.01743	1.5
68.99687	0.8
69.08527	0.9
69.74356	2.9
69.74780	2.4
73.69456	0.8
81.47439	0.9
83.01242	1.3
89.03831	5.2
91.01761	2.6
91.05412	12.0
93.03331	34.1
93.03923	1.9
95.01303	1.4
107.04906	2.4
108.02042	10.9
109.02834	72.1
110.03169	1.3
111.00740	2.0
117.03336	9.4
119.04905	1.9
121.02839	20.9
122.03592	2.8
123.04416	15.8
125.02309	4.4
128.01045	1.0
132.02016	1.9
133.02853	32.4
134.03650	12.0
135.04410	81.0
136.04753	2.8
147.04416	18.4
148.04895	1.1
149.05995	16.9
150.06351	1.2
151.03896	7.0
151.04977	0.9
153.01846	1.8
156.47609	0.9
160.05249	1.1
161.02383	4.7
171.04422	1.0
172.05222	2.2
177.01846	37.1
178.02194	1.7
180.61826	0.8
185.06097	1.0
186.06747	3.1
197.06027	7.2
199.03896	3.2
203.10797	1.7
209.06041	0.9
211.07510	2.7
212.04739	0.9
212.08444	4.2
213.05518	3.4
214.06247	5.5
221.12321	0.9
227.03354	1.8
227.07152	1.1
229.08652	3.9
238.06329	3.2
239.06950	1.1
241.05008	13.3
253.08638	4.2
255.06607	2.5
256.07394	10.5
257.07971	0.9
271.09735	100.0
271.22769	5.1
272.10031	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	271.0612
Annotation	HYDRAMACROPHYLLOL A
Peak:m/z	Relative Intensity
59.01252	0.5
60.11910	0.4
65.00192	0.4
71.57614	0.7
83.04869	0.4
91.01788	0.9
93.03344	3.1
102.74801	0.4
107.01248	0.5
107.04910	0.9
109.02843	0.5
115.05396	0.5
117.03316	1.9
119.04903	1.6
121.02805	0.8
125.02331	1.6
129.07082	0.5
129.51836	0.4
133.02835	1.0
135.00746	0.6
135.04414	2.1
136.22786	0.4
137.02385	0.6
138.47446	0.4
141.06985	1.5
143.04930	19.5
144.05264	0.6
145.02873	1.6
149.02365	0.5
149.05956	0.5
153.01839	1.4
156.05760	0.6
157.06485	3.0
159.08063	3.2
165.06976	0.6
167.04930	3.7
168.05528	0.5
169.06462	2.0
171.04425	0.6
172.97951	0.4
174.78293	0.4
180.05725	3.7
181.06503	7.1
182.07292	2.5
183.04445	4.8
183.08060	6.3
184.05203	0.9
185.06003	21.2
186.06349	1.3
196.05144	0.7
197.05995	4.8
199.07573	0.8
203.16614	0.4
208.05229	4.0
209.06003	12.5
210.03194	0.7
210.06357	1.3
211.03992	4.9
212.04703	3.6
213.05383	0.7
224.04707	1.4
225.05525	12.9
226.05956	1.2
227.07085	69.9
228.07436	4.9
233.77997	0.4
235.04034	0.8
241.04663	0.7
252.04362	2.2
253.05032	100.0
254.05396	7.5
256.03751	0.6
271.02725	2.3
271.06107	55.1
271.22583	1.0
272.06500	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	271.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13393	0.1
65.00189	0.3
70.02869	0.8
91.01774	14.3
92.02110	0.5
98.20214	0.3
107.04906	0.7
109.02838	0.6
114.41195	0.1
117.03340	0.2
125.02345	0.6
128.12212	0.1
133.02824	0.2
134.03642	1.5
135.00804	15.8
135.04420	100.0
136.01103	0.4
136.04752	3.5
136.05716	0.3
140.35103	0.1
153.01846	29.4
154.01112	0.1
154.02219	0.9
158.73425	0.2
161.02364	0.8
184.05290	0.1
253.05118	1.0
271.06122	19.6
271.22726	0.2
272.06433	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23610	0.6
53.18248	0.6
61.93826	0.6
63.02268	13.7
65.00198	22.0
69.63262	4.3
72.11732	0.7
79.05418	0.8
83.01259	14.0
93.03331	16.5
94.75194	0.6
95.05011	0.5
107.01271	31.7
109.02898	0.9
112.85180	0.6
119.04919	90.2
120.05234	3.5
121.02838	1.0
121.06454	1.6
125.02328	3.6
143.04927	1.8
145.02826	2.9
147.22922	0.6
151.00279	73.6
152.00583	2.9
159.81390	0.5
161.05986	2.6
165.01855	4.2
165.05478	2.9
169.01318	6.2
177.01868	10.5
184.92287	0.7
185.06007	1.9
187.03946	2.5
190.34239	0.6
201.05556	0.7
218.84502	0.6
227.07135	1.4
253.04956	0.8
256.07141	0.7
271.06122	100.0
272.06415	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	271.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08100	0.6
63.02269	12.0
65.00198	19.7
69.14586	0.7
70.89624	2.1
74.64790	0.7
83.01255	13.3
93.03333	15.4
98.19921	0.9
107.01269	28.7
108.02063	2.6
119.04913	87.5
120.05247	3.7
121.02815	1.1
125.02327	1.6
127.97929	0.7
135.02774	0.7
137.06050	0.7
143.04886	1.0
145.02832	2.1
150.03076	0.8
151.00269	76.5
152.00647	2.2
154.52267	0.8
161.06003	1.7
165.01830	4.8
165.05478	5.0
169.01305	5.0
177.01860	11.3
185.05923	1.3
187.03946	2.4
202.65329	0.9
227.07114	1.7
271.06116	100.0
271.09445	4.6
272.06393	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	271.0613
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
54.49405	0.2
55.26759	0.3
56.03245	0.2
59.01239	0.4
63.27486	0.3
63.32052	0.2
79.05408	0.6
81.77126	0.2
86.77399	0.2
89.55314	0.3
91.01768	13.6
92.02097	0.4
92.93463	0.2
93.03335	1.2
98.20656	0.5
107.04893	0.3
108.02045	0.6
109.02849	0.6
113.54082	0.2
121.02850	4.7
121.06511	0.4
123.04425	0.3
125.02341	1.8
125.09744	0.2
130.08629	1.1
134.03661	1.8
135.00790	14.6
135.04410	100.0
136.01083	0.4
136.04749	4.2
143.04851	0.4
145.02873	0.5
149.02344	14.0
150.02657	0.6
153.01837	30.4
154.02159	0.8
161.02353	1.1
165.01878	0.3
165.05424	1.8
225.05583	0.3
227.07108	0.8
230.22809	0.3
253.05020	1.2
254.05367	0.3
256.03757	0.4
271.06113	24.7
271.09412	1.3
271.22626	0.7
272.06448	2.1
272.14929	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0534
Annotation	Unknow
Peak:m/z	Relative Intensity
59.52907	0.1
62.36305	0.2
70.89877	0.3
74.30412	0.1
82.11013	0.1
97.23380	0.1
115.05401	0.2
117.03354	0.2
119.01294	0.5
119.04925	0.2
125.02322	0.3
127.05475	0.2
129.03313	0.2
139.05450	0.2
143.04945	3.5
145.02838	0.6
145.06476	0.2
149.22556	0.2
155.04913	1.0
157.02870	3.3
161.05963	0.3
167.04941	0.6
169.02728	0.2
171.04433	6.9
172.04721	0.2
173.02295	0.4
182.03636	0.4
183.04446	2.2
185.02359	0.5
187.03970	1.4
189.05531	0.7
198.03151	1.8
199.03955	8.6
200.04279	0.6
210.03215	0.3
211.03947	5.1
212.04364	0.3
213.01886	0.9
226.02684	0.5
227.03462	57.4
228.03802	3.7
237.01935	0.3
241.05020	0.3
252.04332	0.2
255.02983	100.0
256.03375	8.2
269.04474	0.2
269.21286	0.4
270.05328	9.2
270.21558	0.2
271.02509	0.6
271.05823	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.2074
Annotation	Tridecanoylglycine
Peak:m/z	Relative Intensity
53.78280	0.8
62.96287	5.0
71.28402	1.9
83.70007	0.7
87.16921	0.8
98.20222	1.1
108.02024	0.9
125.02338	2.6
179.30920	0.7
209.19048	38.6
210.19392	0.9
220.32994	0.8
252.19646	6.4
253.18057	26.2
253.20662	1.5
254.18486	0.9
255.06226	1.6
270.13446	2.9
270.20743	100.0
271.05826	1.1
271.09641	1.0
271.18994	3.2
271.21326	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	271.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36744	0.6
58.87241	0.5
65.00198	1.2
66.20549	0.5
69.17168	0.5
69.44992	4.8
89.03801	0.5
89.39835	0.4
93.03352	1.6
98.20522	1.0
103.26133	0.6
107.04893	1.1
117.03348	2.0
119.04924	1.6
119.37093	0.5
121.02831	0.7
125.02323	1.7
133.02846	1.1
135.04416	2.4
141.07033	1.5
143.04933	20.4
144.05328	0.6
145.02835	1.1
157.06497	4.1
159.04401	0.5
159.08072	3.4
165.06836	0.5
167.04932	4.6
169.06516	1.5
180.05771	3.6
181.06528	6.6
182.07228	1.6
183.04439	4.1
183.08066	7.4
184.05153	1.0
185.06012	23.3
186.06360	1.0
187.03935	0.6
197.06023	3.7
199.03879	0.6
208.05246	4.9
209.06023	14.7
210.03134	1.1
210.06299	1.2
211.03960	5.1
212.04681	2.8
224.04761	2.3
225.05530	11.9
226.05968	0.8
227.07088	69.1
228.07426	4.6
235.04121	0.8
252.04243	2.6
253.05037	100.0
254.05370	6.8
271.02762	2.0
271.06113	50.7
271.22754	1.5
272.06424	4.7
293.99634	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.061
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	2.2
63.01937	0.4
63.02265	7.3
65.00192	5.9
68.99695	0.5
70.88968	0.9
81.03360	0.4
83.01258	5.9
91.05421	0.6
93.03349	1.0
99.04374	0.4
107.01267	6.7
109.02851	1.1
115.05441	1.9
119.04945	1.8
121.02870	0.5
123.00772	0.4
124.01549	2.0
125.02333	11.4
131.04909	0.8
135.00777	0.9
135.04433	1.0
137.02341	1.5
139.05423	0.4
139.65176	0.3
141.07027	0.6
143.04971	0.8
147.08015	0.6
151.00270	3.9
153.01828	1.3
155.04861	0.5
156.05681	0.4
157.06525	2.0
159.04379	0.6
161.05978	6.9
165.01839	1.9
165.06981	0.8
166.00058	0.4
169.01334	2.2
171.08096	0.7
173.05986	1.3
175.07561	0.7
180.05713	0.4
181.06494	1.6
183.04460	0.5
183.08092	0.5
185.05998	2.5
197.06007	10.7
197.07767	0.7
198.06310	0.8
199.04115	0.4
199.07506	0.9
208.05188	0.5
209.06038	1.3
211.03995	0.4
213.05502	1.1
215.07074	2.3
225.05513	3.8
227.07108	0.7
241.05013	1.0
242.17635	0.4
243.06551	1.1
253.05040	15.8
254.05341	1.1
271.06107	100.0
271.22769	1.5
272.06485	8.3
287.82172	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0818
Annotation	Pinostrobin
Peak:m/z	Relative Intensity
56.78046	0.5
59.01245	1.3
62.96283	0.5
65.00193	9.5
68.99680	4.5
69.94141	1.5
69.94554	1.1
71.01268	0.5
89.00198	2.0
90.97005	1.3
91.01765	2.2
93.03339	0.5
94.00466	1.3
97.02831	6.8
98.20246	1.2
103.88998	0.6
107.01246	0.5
108.02055	0.9
109.99986	4.0
121.02849	3.2
121.99987	1.3
124.01541	2.0
132.98074	1.5
135.00816	0.6
139.03905	4.1
149.02333	1.1
149.99467	2.0
156.05681	1.1
163.00246	1.0
165.01851	9.1
169.06516	1.9
177.01846	6.2
183.02911	1.4
184.05196	2.2
186.95518	7.8
193.06491	1.1
197.06024	1.7
198.06786	1.6
212.04660	0.8
213.05513	0.6
225.05524	7.5
226.06281	17.2
227.06912	4.0
253.05031	9.0
254.05804	15.4
255.06012	0.8
258.05225	0.5
269.08173	100.0
269.21198	9.2
269.24786	3.0
270.08444	7.4
286.04758	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.082
Annotation	4'-Methylliquiritigenin
Peak:m/z	Relative Intensity
52.30647	0.4
59.01242	0.5
65.00179	0.6
70.76994	1.0
70.77360	0.8
73.04273	0.4
91.01770	45.1
92.02094	1.1
111.45802	0.5
119.70358	0.4
121.02820	0.9
124.18390	0.5
132.02086	1.5
135.00775	63.1
136.01096	2.0
147.21002	0.4
153.01842	38.5
154.02165	1.3
186.95490	1.6
200.39171	0.5
239.03435	2.2
254.05838	11.4
255.06169	0.6
269.08182	100.0
269.21115	1.6
270.08505	7.7
291.83099	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.4
59.01238	2.4
65.00230	0.4
70.13035	1.7
71.01277	0.3
80.02544	1.1
91.01770	0.9
95.01274	1.0
107.01288	1.0
108.02052	9.1
117.03341	6.8
119.04925	3.8
121.81407	0.4
123.04410	1.4
132.05675	0.3
133.02869	0.7
133.06502	1.3
135.00783	1.3
136.01587	3.1
139.03941	0.5
145.02856	10.0
145.06520	0.5
146.03171	0.7
148.01537	1.5
153.01810	0.7
158.28465	0.4
161.02356	7.1
161.44911	0.3
180.00609	1.7
181.06508	0.6
183.04462	1.5
184.05167	1.5
185.05922	0.4
186.95503	1.2
195.04536	0.6
197.06023	1.1
198.06721	0.4
207.13867	0.5
209.06006	3.6
211.03943	3.6
212.04640	0.9
225.05525	11.9
226.06187	2.8
226.93130	0.4
227.07076	4.8
237.05495	5.1
238.05896	0.4
241.05127	0.4
253.05032	70.0
254.05690	15.6
255.06306	0.8
269.08170	100.0
269.21216	2.9
270.08508	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67448	0.9
55.01762	10.7
57.03319	8.7
58.00461	3.4
59.01251	48.8
60.90408	1.1
68.99685	1.4
69.03323	1.4
69.69802	7.1
71.01252	100.0
72.01602	1.8
72.99168	6.3
73.02819	38.8
75.00732	1.3
81.03338	1.0
83.00802	1.6
83.01259	18.5
85.02824	53.1
87.00753	4.2
89.02322	4.0
93.84521	1.0
95.01243	7.3
97.02811	2.3
99.00758	16.1
101.02320	77.9
102.02651	2.0
104.59546	0.9
107.04879	1.7
107.89970	1.0
113.02327	43.5
114.02634	1.9
119.86771	0.9
125.02315	2.1
128.79910	1.2
129.01831	1.5
132.02107	1.1
133.54353	1.0
135.04436	1.0
139.00189	1.2
140.52747	0.9
143.03377	2.8
153.01854	1.8
155.37744	0.9
159.02899	6.4
161.04465	22.7
162.04781	1.2
168.27988	1.1
225.05495	1.7
269.04602	4.8
269.10297	3.2
269.21228	9.2
269.24582	2.3
270.22098	1.0
291.46298	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24002	1.5
51.77744	1.4
55.01757	10.4
56.75440	1.7
57.03318	7.0
58.00454	2.9
59.01254	48.6
69.03354	1.7
71.01254	100.0
71.18408	4.1
71.18761	3.0
72.99181	5.5
73.02821	36.1
74.12827	1.7
75.00755	3.4
83.01264	18.3
85.02824	54.8
87.00758	7.2
89.02335	3.6
90.18179	1.5
94.66201	1.6
95.01275	5.4
97.02814	2.2
99.00770	16.8
101.02323	78.9
107.04877	1.8
113.02335	42.3
121.02878	2.2
123.00782	2.2
125.02361	2.9
129.01871	2.0
149.26253	1.6
153.97424	1.7
159.02901	5.1
161.04463	20.8
164.35506	1.6
169.01390	1.8
174.22571	1.6
187.24509	1.9
269.04504	2.4
269.10330	6.2
269.21219	23.2
269.24753	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	269.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	3.0
59.01250	100.0
60.01585	0.7
71.01247	0.5
83.04906	1.2
88.46777	0.4
93.03345	0.5
95.04893	0.5
97.06475	0.5
97.85881	0.4
99.04395	10.2
109.06462	0.5
110.45302	0.4
111.04430	0.5
121.06501	0.6
125.02325	1.4
133.02776	0.5
163.11186	0.4
165.12766	6.7
189.12799	1.1
193.83141	0.4
207.13840	13.9
208.14169	0.9
209.11772	34.4
210.12073	1.6
225.05791	0.5
225.14903	27.0
226.15210	1.5
251.12848	5.8
269.04489	2.1
269.13934	42.0
269.21237	4.4
269.24860	1.4
270.14337	3.6
271.14920	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0819
Annotation	(-)-Medicarpin
Peak:m/z	Relative Intensity
51.49667	0.3
61.62897	0.3
62.96277	5.3
71.21628	0.8
85.18113	0.3
105.81725	0.3
108.02036	2.2
117.03358	0.5
121.02844	1.6
123.04441	0.6
132.02118	1.3
133.02872	1.1
135.00731	0.4
145.02872	1.0
171.04504	0.7
181.06529	0.4
183.04465	1.2
184.05263	0.8
184.82524	0.3
185.05974	2.4
186.06798	1.8
186.95595	0.9
195.04451	1.1
197.05995	0.9
198.06845	0.7
208.05193	0.4
209.06001	4.8
210.06793	5.4
211.03925	4.1
211.07002	0.6
212.04767	1.1
224.04527	0.4
225.05511	5.6
226.06268	2.9
236.04735	0.4
237.05611	0.7
239.03482	2.3
240.03978	0.3
253.05045	6.0
254.05820	100.0
255.06172	7.2
269.08176	39.3
269.13089	1.8
269.21283	0.8
270.08463	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	269.0821
Annotation	Pterolinus B
Peak:m/z	Relative Intensity
54.11295	0.5
55.62498	0.4
59.01224	0.8
65.00195	18.5
66.00488	0.5
68.99684	1.5
87.04375	0.7
89.00202	5.3
89.50697	0.5
91.01757	4.9
93.03338	1.8
94.00500	0.8
97.02828	13.4
108.02053	1.3
109.99995	1.3
119.04884	0.8
121.02839	8.0
121.99981	0.8
124.01469	0.5
132.02083	1.7
133.02866	0.9
137.02391	0.5
139.03893	0.8
148.01576	0.6
149.02367	0.9
149.99500	12.0
153.01862	0.6
163.00232	0.8
165.01846	19.4
166.02144	0.7
169.06476	0.6
171.55641	0.5
177.01813	2.9
183.02934	2.5
184.05212	10.9
185.05568	0.7
186.95401	0.4
197.06064	0.9
198.06842	0.8
209.05916	1.1
210.01566	0.5
211.04008	0.8
212.04764	3.0
225.05757	2.7
226.06287	4.2
227.07118	12.8
228.07379	0.7
236.04753	1.1
239.03429	4.0
241.08600	0.5
251.06871	0.7
253.05098	6.8
254.05867	14.7
255.06212	1.3
269.08182	100.0
269.21237	5.3
269.24380	0.8
270.08508	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	269.082
Annotation	Pinostrobin chalcone
Peak:m/z	Relative Intensity
53.12522	0.3
63.02260	0.4
65.00195	16.5
68.99696	1.4
69.44772	0.9
69.45190	1.8
75.16388	0.3
89.00204	4.5
91.01781	3.7
94.00475	0.8
97.02829	10.7
98.20589	0.3
108.02062	1.2
109.99971	1.2
119.04893	0.5
121.02847	5.9
121.99959	0.7
122.90413	0.3
132.98096	0.4
135.00717	0.4
139.03885	0.6
141.06949	0.3
149.02353	0.8
149.99500	10.0
150.99805	0.3
156.05753	0.3
163.00253	0.9
163.80991	0.3
165.01851	18.5
166.02194	0.7
175.49506	0.3
177.01924	2.0
178.02528	0.3
181.46881	0.3
183.02898	1.6
183.04396	0.6
184.05223	10.4
185.05714	0.6
186.95564	1.2
193.06569	0.3
197.06013	0.6
198.06821	0.6
209.06046	0.4
211.04008	0.4
212.04742	3.2
225.05585	2.0
226.06273	3.6
227.07088	14.6
228.07414	1.0
253.05029	5.3
254.05811	12.7
255.06168	0.9
269.08179	100.0
269.21210	3.3
269.24780	1.0
270.08521	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	269.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60596	0.2
53.73291	0.3
59.01263	0.3
68.58906	0.2
71.60461	0.2
71.60889	0.4
76.04237	0.2
77.03851	0.2
83.01239	0.2
85.02804	0.2
89.03843	0.7
91.01778	9.6
92.02120	0.3
95.01324	0.3
95.04885	0.3
105.03359	0.8
107.95257	0.2
109.02837	1.2
117.03352	0.4
121.02898	0.4
123.04426	0.8
131.63666	0.2
132.02092	1.3
133.02861	48.7
134.03178	1.9
135.00786	9.4
141.07022	0.5
143.04932	0.5
153.01855	9.5
154.02190	0.4
155.04926	0.5
157.06505	0.3
158.03703	0.2
161.02345	1.0
167.04974	1.0
169.06525	2.5
171.04451	1.0
173.05992	0.5
180.05734	0.5
181.06494	0.4
182.03671	0.5
183.04425	0.7
185.06030	1.6
195.04465	2.1
196.05252	1.8
197.06013	3.5
198.03177	0.6
199.03943	1.5
200.04572	0.3
201.05524	2.8
207.04372	0.2
208.05241	1.1
211.03999	1.7
212.04565	0.6
213.05518	5.8
214.05824	0.4
223.03967	2.0
224.04745	2.6
225.05557	3.6
226.02586	1.1
226.05893	0.3
227.03473	2.5
228.03874	0.3
239.03406	0.5
240.04308	1.2
241.05058	3.9
251.03528	0.7
252.04318	0.8
267.02991	0.5
268.03778	0.6
269.04572	100.0
269.21249	3.1
269.24786	0.9
270.04895	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	269.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78621	0.3
68.27267	0.3
79.75180	0.2
89.03861	0.6
91.01768	7.4
97.17444	0.3
105.03355	0.4
109.02834	0.3
132.02075	2.1
133.02852	85.7
134.03175	3.5
135.00781	9.1
136.01193	0.4
141.21269	0.2
153.01845	8.3
154.02173	0.3
169.06535	0.3
196.05226	0.4
197.06015	0.6
199.03967	0.5
201.05551	1.8
213.05516	0.6
224.04753	1.4
225.05475	2.7
226.02570	0.7
227.03430	1.9
241.05046	1.5
251.03546	0.3
268.03644	0.4
269.04547	100.0
269.21152	1.3
269.24747	0.4
270.04889	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	269.0456
Annotation	Apigenin
Peak:m/z	Relative Intensity
63.02272	1.4
65.00197	4.2
69.58787	1.8
76.13348	0.3
83.01256	1.6
86.60328	0.2
87.04384	0.4
93.03338	0.6
98.19836	0.4
105.03335	0.9
107.00533	0.3
107.01272	7.1
117.03350	26.0
118.03683	0.8
119.04879	0.2
121.02836	1.9
133.02861	0.6
133.62659	0.2
149.02356	10.0
149.31607	0.2
149.39500	0.3
150.02692	0.6
151.00278	11.1
152.00635	0.4
153.78104	0.2
157.06512	0.3
159.04399	2.2
169.01353	0.3
169.06493	0.5
180.05688	0.5
181.06502	1.9
183.04462	1.5
185.02324	1.0
193.85106	0.3
196.05214	0.4
197.06033	0.8
199.03899	0.3
201.05486	1.6
209.06119	0.3
213.05573	0.3
224.04692	0.5
225.05542	4.3
225.14844	0.5
226.02852	0.3
227.03419	2.6
241.04932	0.4
269.04550	100.0
269.21198	2.8
269.24725	1.0
270.04892	9.3
270.21344	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78621	0.3
68.27267	0.3
79.75180	0.2
89.03861	0.6
91.01768	7.4
97.17444	0.3
105.03355	0.4
109.02834	0.3
132.02075	2.1
133.02852	85.7
134.03175	3.5
135.00781	9.1
136.01193	0.4
141.21269	0.2
153.01845	8.3
154.02173	0.3
169.06535	0.3
196.05226	0.4
197.06015	0.6
199.03967	0.5
201.05551	1.8
213.05516	0.6
224.04753	1.4
225.05475	2.7
226.02570	0.7
227.03430	1.9
241.05046	1.5
251.03546	0.3
268.03644	0.4
269.04547	100.0
269.21152	1.3
269.24747	0.4
270.04889	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	269.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00551	1.0
54.17250	1.1
59.01237	1.9
62.96281	69.5
65.00191	1.7
69.92168	5.3
89.03851	2.1
90.80060	1.0
90.97013	1.9
91.01778	25.7
93.03340	1.1
95.04897	3.9
105.03329	3.6
108.02061	3.2
109.02843	4.9
112.25974	1.1
117.03355	1.3
121.02835	3.2
122.95917	1.2
123.04420	7.9
131.04915	1.8
132.02028	1.5
132.98138	2.1
133.02853	64.8
134.03265	1.9
135.00786	13.9
141.07018	1.9
143.04922	4.9
145.02856	2.0
145.06606	1.7
148.01605	1.9
153.01837	15.1
154.02176	1.2
155.04942	5.9
157.06471	1.4
158.03648	1.4
160.01529	2.4
167.04958	3.6
168.05719	1.1
169.06523	18.7
170.06903	1.5
171.04430	11.2
173.06000	4.8
179.04942	1.3
180.00523	1.5
180.05734	2.2
181.06496	3.3
182.03647	5.0
183.04453	6.4
185.02351	3.2
185.06036	5.8
186.03169	3.0
186.95525	12.9
195.04446	4.5
196.05226	7.9
197.06039	21.3
198.03197	8.0
198.06384	1.5
199.03929	23.1
200.04446	2.2
201.05525	24.1
202.05927	2.0
208.05235	4.9
210.03131	1.9
213.05524	18.1
214.05966	1.7
223.04005	2.6
224.04765	8.4
225.05545	20.4
226.02687	4.4
226.05986	1.8
227.03452	36.7
228.03851	3.0
240.04262	1.5
241.05020	38.3
242.05318	1.6
251.03506	4.4
254.02214	5.0
269.04550	100.0
269.13071	27.4
269.18140	1.6
269.21219	18.8
269.24759	4.7
270.04913	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	267.1965
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
55.01763	2.2
59.01245	1.4
69.03333	6.8
70.96759	2.2
71.01242	1.3
71.04889	13.0
74.60613	0.8
74.75019	0.8
78.42352	0.8
80.02518	1.5
81.03333	1.3
83.04891	1.4
85.02827	1.1
97.06474	0.9
97.68085	0.8
172.73254	0.8
195.17453	1.1
221.19034	4.1
223.20625	100.0
224.21013	7.4
267.06882	1.0
267.19650	47.6
268.20001	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91549	0.4
59.01243	1.1
62.96273	2.1
65.00185	0.8
68.99673	1.3
71.01255	1.7
81.03314	0.5
83.01266	0.5
90.97005	1.8
91.01749	1.1
95.01259	2.2
109.01984	0.4
109.02836	0.7
110.00008	0.5
111.00723	0.6
111.94128	0.4
115.05491	0.5
117.03310	1.2
119.01295	0.9
121.02840	0.9
122.99999	0.5
123.00755	2.5
123.04453	0.5
127.05431	0.5
129.03397	0.5
129.07002	1.5
131.04929	0.9
132.02103	0.7
132.98097	1.6
133.02815	2.6
135.00804	1.2
141.07008	1.2
143.04944	3.3
145.02840	3.1
145.06503	1.4
147.04411	0.5
147.68587	0.4
152.06265	0.6
152.91591	0.6
153.01840	1.1
153.06967	1.4
154.04158	1.0
155.04970	2.3
157.06482	1.5
158.03607	1.2
159.04410	1.1
160.01555	0.5
161.02365	1.0
164.22176	0.5
167.04967	2.4
168.05734	0.5
169.02753	0.5
169.06514	6.9
170.03574	0.8
171.04437	9.8
172.05000	0.5
173.05995	9.2
174.06308	0.6
180.05775	0.6
181.06480	1.6
182.03627	2.5
183.04433	4.1
185.02397	1.0
185.06003	3.8
186.93973	0.7
186.95537	6.4
187.03937	0.7
195.04440	4.8
196.05226	5.9
197.06017	21.6
198.03191	4.3
198.06378	1.7
199.03932	13.7
200.04410	1.3
201.05560	2.7
207.04431	0.9
210.03212	0.6
211.03908	1.7
212.04564	1.4
212.83501	0.4
213.05516	9.8
214.06018	0.5
223.03918	5.0
224.04709	2.4
225.05531	9.3
226.02649	2.8
226.05920	1.0
227.03456	4.4
228.03922	0.5
239.03542	1.8
240.04225	7.6
241.05019	30.6
242.05466	2.1
251.03377	2.4
252.03972	0.8
254.02179	1.8
254.05920	3.1
255.02809	0.5
267.02979	0.9
268.03677	2.0
269.04532	100.0
269.13071	1.4
269.18155	0.9
269.21222	8.0
269.24786	2.4
270.05002	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	267.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78403	2.9
53.66175	3.3
55.01766	3.5
56.54131	2.8
57.03310	8.9
59.01254	80.9
71.01255	100.0
71.01658	4.8
71.13321	8.0
72.99175	9.0
73.02827	21.6
75.00742	15.3
83.01270	12.8
84.38282	3.4
85.02821	59.1
87.00749	15.1
89.02322	38.1
90.35666	3.3
95.01263	10.9
99.00751	14.7
101.02333	60.9
105.05438	10.1
113.02326	68.1
117.01813	4.4
119.03391	10.7
129.01799	4.0
135.04387	13.6
141.04909	3.2
144.42514	3.1
148.69687	2.9
159.02924	7.8
161.04463	31.1
189.48866	3.0
249.06102	4.2
267.07178	69.1
267.10764	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	267.1236
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
54.54283	1.3
54.85517	1.1
55.00166	1.2
55.44014	1.1
57.03314	2.2
59.01253	100.0
60.01587	1.3
62.40080	1.2
62.42287	1.0
63.22441	1.1
69.47056	10.0
71.01252	2.3
71.04880	3.2
87.00736	3.0
148.04868	1.1
161.13283	1.8
163.11142	1.3
195.04445	1.3
205.12332	1.4
207.10197	2.6
223.03946	1.4
223.13371	31.5
224.04556	1.3
224.13647	3.1
239.03299	1.7
252.04260	6.8
267.06708	5.7
267.09320	1.3
267.12500	2.9
268.07019	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43543	1.5
55.01754	3.5
57.03331	15.6
59.01238	8.3
59.13475	1.6
60.99167	2.3
65.59727	1.4
69.03334	6.5
71.01272	2.3
71.04889	1.7
71.57933	2.0
73.02847	1.7
80.02576	1.7
83.04910	16.4
85.02813	2.3
85.06454	2.7
95.04903	57.2
97.02852	3.1
97.06480	9.7
98.03619	11.3
101.02319	2.4
105.24207	1.5
108.02045	1.8
109.06463	16.9
111.04399	5.2
113.05978	35.1
119.08552	2.9
120.23714	1.8
121.10102	2.4
124.05162	5.2
127.07549	3.5
135.08046	6.5
135.11641	2.8
137.09605	18.5
138.06776	6.6
139.07541	22.1
145.10112	5.4
153.09122	24.2
155.10689	100.0
156.11023	4.8
161.04385	2.4
167.10626	1.9
171.11754	2.4
187.14836	7.7
195.04373	1.8
199.09692	11.7
203.14336	14.9
205.15923	94.4
206.16281	7.2
223.13562	2.2
223.16971	48.8
224.17186	2.8
239.03581	1.8
245.31593	1.5
249.15009	3.2
252.04214	4.1
267.03088	1.8
267.06595	5.8
267.16003	63.1
268.16382	1.7
271.99997	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64264	1.2
59.01255	50.8
64.09828	1.2
71.01253	4.2
71.59682	1.7
72.99205	1.5
75.00733	1.6
84.59447	1.2
85.02856	2.4
89.02312	1.3
93.37305	1.3
113.02325	4.9
117.11090	1.5
121.02809	1.5
122.03630	27.2
124.01534	3.6
136.01503	1.4
137.02345	7.6
137.10780	1.2
147.04440	3.3
154.02620	5.5
163.07561	100.0
164.07861	4.9
179.03424	1.2
180.57036	1.2
189.05475	1.2
205.19205	1.2
207.06578	4.5
223.15485	1.2
225.82425	1.3
240.06898	1.3
243.64072	1.2
261.43045	1.3
267.07254	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	267.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04833	1.4
50.34277	1.4
50.65622	1.3
55.01761	6.3
55.73610	1.6
57.03321	7.1
58.00470	4.5
58.62172	1.5
59.01251	82.9
70.89068	4.6
71.01253	100.0
71.26053	1.4
72.99185	7.1
73.02821	30.5
73.23900	1.3
75.00768	2.4
78.21543	1.6
83.01267	12.5
85.02823	44.0
85.63817	1.7
87.00763	5.7
87.04382	3.0
89.02320	34.3
89.20964	1.5
93.89632	1.4
93.98252	1.4
95.01250	8.3
97.56390	1.5
99.00758	11.5
101.02325	78.3
105.05447	14.2
113.02333	36.9
117.23895	1.5
119.03393	11.3
125.02293	2.1
129.01845	1.7
143.03435	3.3
159.02881	7.9
161.04462	36.6
179.05621	2.3
217.49588	1.9
267.06870	1.9
267.07883	2.6
267.10828	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	267.0663
Annotation	Formononetin
Peak:m/z	Relative Intensity
59.01266	0.4
71.01276	0.4
71.36285	0.4
85.02814	0.3
91.01773	1.5
101.02290	0.3
108.02061	0.5
132.02063	9.7
133.02382	0.3
135.00775	2.9
136.01207	0.2
141.80917	0.2
153.01865	1.5
162.92003	0.2
167.04990	0.8
180.05751	0.4
195.04436	6.8
196.05048	1.1
208.05223	4.8
209.05606	0.2
223.03958	23.1
224.04686	6.3
225.05124	0.6
239.03586	0.3
249.15002	0.4
251.03479	14.5
252.04260	100.0
253.04613	7.7
253.07227	0.4
267.06619	85.0
268.06982	6.7
268.09940	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0661
Annotation	7-HYDROXY-2'-METHOXYISOFLAVONE
Peak:m/z	Relative Intensity
55.45692	0.2
55.68394	0.2
59.01235	0.2
69.30880	0.3
69.31271	2.0
91.01766	1.5
108.02068	0.4
132.02066	10.5
133.02434	0.5
135.00766	4.0
141.03319	0.4
143.04926	0.3
153.01871	1.3
155.04965	0.5
167.04915	0.7
180.05794	0.8
182.03726	0.4
183.04451	0.6
195.04436	9.0
196.05045	1.0
203.37469	0.2
208.05228	4.9
209.05504	0.3
211.03954	1.2
223.03947	25.1
224.04663	7.6
225.05096	0.6
239.03430	2.3
240.03984	0.3
251.03476	16.0
252.04237	100.0
253.04590	7.3
267.06598	86.7
268.03970	0.4
268.06940	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	267.0661
Annotation	Dorstegin
Peak:m/z	Relative Intensity
59.01250	1.5
69.03761	0.7
71.01249	2.8
77.26923	0.7
85.02850	1.1
93.03349	0.8
98.20553	2.0
101.02319	1.0
120.04074	0.9
121.02863	0.9
197.06010	100.0
198.06380	7.2
223.07564	6.8
223.20668	0.9
229.59114	1.0
252.04205	0.8
267.06628	32.7
267.15955	1.0
267.19531	1.4
268.07086	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0721
Annotation	2-O-(alpha-D-Glucopyranosyl)-D-glycerate
Peak:m/z	Relative Intensity
55.01756	2.2
57.03315	5.7
59.01250	41.3
70.70319	4.1
70.70695	3.8
71.01254	67.9
72.99184	9.8
75.00744	24.2
78.95805	2.7
81.78155	1.8
83.01244	3.1
85.02818	56.9
87.00742	22.2
89.02316	15.1
91.03866	2.6
92.95862	6.9
92.96425	1.8
95.01269	11.6
98.04637	1.9
99.00749	14.7
101.02319	3.0
103.00220	4.9
105.31652	1.9
113.02333	71.3
115.00265	3.6
117.01797	4.7
118.97472	2.0
129.01816	3.5
132.88588	1.8
132.95372	3.0
134.96980	4.8
142.97493	11.5
144.95367	2.6
146.95145	2.7
158.96968	6.3
170.91290	4.7
175.02448	2.3
206.95483	2.7
207.05064	2.5
249.00200	2.9
249.06104	5.9
261.56265	1.8
267.01212	3.3
267.07190	100.0
268.07495	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	265.2173
Annotation	(7S)-Hydroprene
Peak:m/z	Relative Intensity
59.01244	0.8
70.25179	0.6
96.95884	11.7
117.28509	0.6
144.01306	0.6
192.26668	0.6
210.96342	0.7
265.14926	8.0
265.21713	100.0
266.22052	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	267.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	0.3
59.24775	0.2
66.66673	0.3
79.95628	0.4
91.01747	1.8
91.15172	0.3
98.19753	0.6
106.04070	0.3
108.02111	0.6
132.02072	9.7
133.02481	0.4
135.00772	2.9
153.01877	1.2
167.04903	0.8
180.05727	0.6
195.04430	9.0
196.05136	1.0
208.05247	4.4
223.03954	22.8
224.04669	7.1
225.05084	0.5
229.34871	0.3
236.09546	0.5
251.03476	15.7
252.04254	99.5
253.04593	7.2
267.06616	100.0
267.27850	0.3
268.04028	0.7
268.06946	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	265.1193
Annotation	gamma-Glutamyltyramine
Peak:m/z	Relative Intensity
56.24866	2.4
56.89980	1.9
57.90416	2.0
58.02837	3.9
59.71462	2.0
71.05040	4.9
73.03939	2.9
74.02342	7.1
82.02856	3.1
84.04414	7.1
86.02341	3.5
99.05507	5.4
101.07087	13.6
109.03966	13.8
119.04925	12.2
127.05031	93.9
128.03444	16.8
156.01837	2.1
164.07062	4.3
190.08653	2.8
219.11284	4.1
221.12914	9.3
247.10835	29.9
265.11926	100.0
266.12341	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	265.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17093	3.4
55.01757	11.2
59.01250	82.3
70.10513	15.2
71.01253	100.0
72.99187	6.3
73.02805	26.0
75.86897	3.4
83.01270	10.5
85.02827	45.7
87.00768	8.0
89.02326	26.2
95.01265	8.6
99.00761	5.7
101.02326	79.1
102.02674	4.2
113.02341	45.3
119.03397	8.9
144.13930	3.5
159.02887	10.7
161.04468	41.8
208.86667	3.7
259.49585	4.1
265.12906	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	265.1446
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
55.01735	3.3
55.05423	0.9
57.03326	10.7
62.44582	1.0
65.84809	1.0
67.01762	1.1
68.64764	0.9
69.03320	3.2
69.32194	10.8
73.02806	1.6
79.05398	1.5
83.04887	7.6
87.04382	1.0
92.48518	1.0
93.03339	1.8
95.04901	11.6
97.02832	6.7
97.06476	8.9
105.06956	1.2
107.04878	1.5
109.02837	8.9
109.06484	5.8
111.04402	56.4
111.08074	1.5
112.04738	1.2
113.05982	1.4
119.08549	4.0
120.05717	1.3
121.06503	7.0
122.03627	3.5
123.08047	5.8
125.02355	2.0
125.05972	2.0
125.09621	2.4
126.15408	1.2
135.08041	5.8
136.05214	5.4
137.05980	1.8
137.09622	11.0
138.06764	50.4
139.07495	2.9
142.02614	1.5
145.10127	2.9
147.08080	6.0
151.07579	5.9
151.11111	1.2
153.09122	100.0
154.09448	4.2
157.10103	1.2
159.11728	1.6
165.09126	27.8
167.07048	1.3
169.10179	3.0
177.12827	1.6
185.13281	14.9
187.11209	7.4
188.11980	1.8
191.07106	1.2
201.12759	6.2
203.14346	58.9
204.14784	4.6
221.15378	16.1
247.13419	1.6
249.29926	0.9
258.48126	0.9
265.14444	41.3
266.14828	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	263.1501
Annotation	n-Hexyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01760	7.1
57.03328	4.2
58.00467	3.1
59.01255	68.8
68.05484	1.9
71.01258	100.0
72.01601	2.2
72.99168	5.9
73.02822	43.4
75.00768	2.6
76.77436	1.9
83.01260	21.1
85.02827	54.2
85.99973	3.0
87.00773	4.6
89.02325	9.6
95.01237	6.5
96.18958	1.9
97.81760	2.0
99.00760	17.0
100.03886	3.4
101.02332	96.8
101.09625	2.8
111.00803	3.2
113.02332	40.1
115.05026	8.9
127.02133	2.3
129.01889	3.5
159.02896	5.9
161.04475	26.0
164.96059	2.2
219.10046	2.4
219.14003	2.9
229.31503	2.9
263.05701	2.0
263.10278	2.2
263.15042	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	263.2016
Annotation	KDC 165
Peak:m/z	Relative Intensity
59.01260	2.7
65.16558	0.4
65.16928	0.5
71.01259	0.7
71.37524	1.0
112.31870	0.5
130.89752	0.6
173.72986	0.5
180.06351	0.5
191.03400	0.7
191.18176	0.5
205.31860	0.6
220.07857	0.5
245.18964	1.2
262.59790	0.7
263.02005	0.6
263.20148	100.0
264.20496	11.1
264.54840	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	75.1
68.01282	5.8
71.60138	4.8
72.99187	23.2
87.00764	6.0
96.94466	3.0
107.04927	10.2
116.04936	18.2
119.04920	46.4
121.06648	3.1
130.06525	4.5
133.06540	12.7
135.04427	6.4
135.17236	3.1
142.06544	42.4
147.04376	3.7
151.07565	5.7
158.06052	4.4
160.07581	19.8
161.05963	4.6
162.05556	4.3
163.03929	12.5
165.05592	4.1
177.05490	5.8
186.05519	35.1
195.06595	8.0
204.06602	85.2
222.07677	100.0
223.07928	6.2
264.08643	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	264.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09954	1.9
51.52676	2.4
54.90234	2.0
70.02856	22.9
71.01248	6.4
71.59652	2.2
71.60033	2.4
71.86658	1.9
84.39268	1.8
91.05405	4.3
96.99190	8.5
114.01861	100.0
117.03351	10.5
129.01807	3.0
134.06000	21.3
146.04468	6.1
146.06042	3.4
151.07568	2.3
160.07567	4.3
162.03053	2.3
170.10915	2.1
188.07095	3.8
202.13045	3.7
205.11848	5.6
211.34892	2.2
220.14253	8.5
232.06123	8.6
235.70140	2.2
244.51170	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	263.1288
Annotation	ABSCISIC ACID
Peak:m/z	Relative Intensity
51.69019	2.4
59.01252	5.8
60.32000	2.5
65.44422	2.8
69.58842	2.8
71.01266	9.6
71.59230	4.0
73.43781	2.8
75.43208	2.8
79.05430	4.2
79.05919	2.8
82.87070	2.7
83.04924	5.9
97.02844	9.2
99.04391	3.5
105.06969	3.2
108.05685	9.0
109.02828	8.8
109.06456	5.5
111.04408	17.3
113.05968	11.9
119.08585	4.4
121.06493	4.0
122.03627	21.0
123.08069	9.3
125.06026	15.2
135.08072	4.4
136.05205	14.1
137.05960	9.8
138.06760	21.5
139.07553	38.7
148.05214	9.9
149.06023	4.8
151.07553	77.3
152.04669	8.8
152.08348	44.7
153.09117	6.8
159.11734	3.1
161.09653	11.9
163.07597	14.8
167.07027	4.2
175.07617	4.1
185.09703	2.9
186.10397	3.5
188.08304	5.7
188.59366	2.8
189.09148	8.0
201.12770	34.5
203.10722	30.5
204.11496	69.9
205.11906	4.5
219.10481	4.4
219.13857	100.0
220.14253	3.3
262.88727	2.8
263.12918	11.0
263.16571	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	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12903	4.2
55.30085	5.2
59.01249	100.0
70.73214	10.5
78.95764	5.3
147.00792	10.3
147.04425	5.8
151.07567	6.8
153.05548	8.2
175.00203	9.6
179.03398	9.4
191.03387	22.6
202.99768	9.5
204.11481	6.7
219.02878	16.3
219.13811	18.0
235.02409	14.5
263.01868	41.8
263.12939	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	263.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
69.24701	62.6
95.01293	4.7
96.60755	4.8
98.20644	5.5
104.52602	6.2
118.27087	5.7
121.55722	5.7
125.06049	4.6
134.82300	5.5
139.07558	5.8
151.07536	6.4
181.53876	5.1
191.03506	6.4
204.11450	7.6
219.13885	11.9
263.02045	15.9
263.12866	13.4
264.16074	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	263.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
64.65627	4.0
66.42622	3.8
67.22530	4.3
84.34180	4.2
90.30112	4.4
125.06164	4.2
131.94292	5.5
232.83688	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	263.1288
Annotation	Hirsutic acid C
Peak:m/z	Relative Intensity
50.76470	0.9
51.56963	0.9
59.01242	1.3
83.04885	0.9
98.19730	1.4
107.04961	1.2
109.02864	1.0
109.06510	2.0
111.04426	1.9
119.08578	2.5
121.06490	2.5
123.07999	1.3
125.05950	3.4
135.08090	1.2
136.05190	10.1
137.09615	1.2
148.05193	1.7
149.06004	1.0
151.07536	3.3
152.08360	4.3
161.09633	2.0
163.07538	1.2
164.08215	1.4
170.05742	1.8
171.08189	1.5
183.06741	1.0
185.09663	4.3
186.10403	2.9
188.08336	1.4
189.09169	6.7
189.74678	1.3
191.03456	2.9
201.12804	21.6
202.13049	1.7
203.10719	26.6
204.11507	61.7
205.11864	4.9
210.11717	1.0
219.02945	1.4
219.13861	52.5
220.14246	2.4
230.09502	1.1
245.11722	2.2
263.01920	3.2
263.12881	100.0
264.13263	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	262.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21922	0.3
58.42018	0.3
59.01267	0.3
65.16720	0.3
69.82411	2.2
73.02816	0.4
74.02348	1.6
84.04424	0.9
87.02615	2.2
89.68210	0.3
98.02312	0.5
111.65661	0.3
128.03450	0.4
131.05215	1.6
133.06827	100.0
134.07164	2.2
145.04707	0.4
194.19518	0.3
252.59267	0.4
262.08661	0.5
262.11249	5.8
262.13989	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0195
Annotation	Ancistroquinone E
Peak:m/z	Relative Intensity
51.00610	0.5
54.71069	0.5
59.42113	0.6
67.90713	0.5
71.57630	0.7
79.05444	0.6
89.03835	1.2
91.05408	1.9
103.55513	0.6
107.04905	19.0
117.03323	2.9
119.04905	9.3
120.05230	0.6
121.02831	0.9
132.02138	0.8
135.04413	18.9
135.05440	1.1
136.04759	0.7
145.02856	10.7
146.03574	0.9
147.04416	5.1
148.01544	1.2
153.05492	15.4
161.02354	1.8
162.03073	1.1
163.03929	10.8
173.02370	5.8
174.03084	0.9
175.03979	1.0
176.01036	3.5
177.01862	0.7
190.02658	12.0
191.03432	100.0
192.03792	6.1
193.01294	0.6
201.01845	0.9
219.02946	24.6
219.05080	1.2
220.03337	1.5
232.25288	0.6
235.02403	1.2
263.01956	88.9
264.02292	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	263.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12542	4.6
58.02847	4.5
59.01252	100.0
71.34125	10.0
83.04917	6.5
83.14935	4.6
97.95710	4.6
107.04913	7.8
109.60282	6.4
119.04937	7.3
135.04468	9.6
137.04272	4.6
153.05495	12.4
160.05312	5.8
171.28030	5.1
171.87090	5.9
190.02782	6.9
191.03397	50.9
204.06653	7.9
219.02948	14.6
219.13828	8.9
254.64990	5.7
263.01932	54.9
264.02081	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	261.1342
Annotation	Triethylene glycol diglycidyl ether
Peak:m/z	Relative Intensity
53.39328	1.4
54.33049	1.3
59.00946	3.0
59.01247	57.8
59.46598	1.3
67.59239	1.2
71.12631	3.0
73.02814	100.0
74.02348	6.9
74.22391	1.4
79.22047	1.5
98.02345	2.1
107.80643	1.4
116.03423	4.7
125.09605	5.8
127.07549	2.2
132.04416	3.6
133.06815	1.5
169.08560	2.3
181.12306	2.8
183.10167	2.4
185.94397	1.7
187.09682	54.2
188.10017	2.8
199.13348	11.1
201.11261	48.0
202.11534	2.4
217.05081	1.8
243.12326	13.9
244.12556	1.4
261.08936	3.3
261.13416	90.9
262.13745	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	262.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	3.9
59.01269	2.9
69.03331	6.0
69.54066	1.8
70.02852	13.2
70.75306	6.7
71.01262	5.3
75.00728	3.3
77.46669	2.0
80.72023	2.0
82.02865	2.1
85.02824	62.1
86.02357	2.9
87.04405	6.4
88.03923	3.5
96.00788	2.5
96.04430	100.0
97.02837	7.6
97.04758	3.6
98.02366	3.8
99.00770	6.2
101.02336	2.2
110.02343	1.9
112.03891	3.9
114.01802	2.9
115.03889	4.3
121.02838	2.1
126.91803	1.9
127.72431	2.0
128.03423	7.1
129.01799	11.5
138.05486	2.1
140.03435	3.0
141.01857	4.1
142.01363	32.0
158.04529	15.5
159.02956	2.1
172.02455	4.3
202.03479	6.8
202.78830	2.0
262.05801	3.9
262.09131	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	261.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71941	1.6
58.02849	23.5
59.01266	7.8
70.02853	11.2
70.78561	3.4
70.78935	3.2
72.04422	5.0
74.02345	100.0
75.02641	2.1
80.45253	1.9
84.04413	12.4
86.02322	2.1
92.04935	11.4
93.98450	1.6
98.02357	34.4
98.02967	3.2
110.02354	4.1
116.03429	47.9
118.02853	3.7
118.06503	3.5
120.04433	2.5
128.03436	30.7
130.06544	7.9
131.02641	1.8
131.03661	59.9
132.04462	75.0
133.04729	4.2
140.04945	4.8
144.04454	22.1
146.05992	6.3
157.07623	30.2
158.06017	28.4
160.03891	2.8
175.08681	29.3
199.08701	4.8
201.06647	13.3
217.09769	6.9
219.07697	33.1
219.12282	2.0
243.07678	4.5
254.20392	1.8
261.08780	78.4
262.09030	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	261.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02849	22.4
59.01240	2.6
65.41370	1.5
65.97733	1.6
68.96696	1.6
69.98049	1.6
70.02869	1.9
71.15469	3.8
74.02344	33.5
84.04425	21.1
86.02351	4.7
86.16547	1.8
87.03925	1.7
92.04935	18.2
98.02359	19.8
110.02370	5.2
112.16341	1.9
116.03420	15.7
116.04951	2.3
118.02906	4.6
118.06504	3.6
120.04445	3.2
128.03429	49.8
129.03818	2.2
130.06499	10.3
131.03671	57.4
132.04454	100.0
133.04832	5.4
140.04965	5.3
144.04454	19.6
146.06001	2.7
157.07620	28.4
158.06030	34.6
160.03864	2.3
175.08676	24.5
199.08728	8.0
201.06601	7.1
217.09801	6.8
219.07689	30.3
243.07735	6.6
261.08795	47.6
262.09103	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	261.088
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02859	17.9
59.01242	6.5
64.21098	1.4
70.02847	3.4
70.55095	6.0
71.01265	2.5
72.00818	1.7
74.02348	39.2
84.04428	21.7
85.02808	10.7
86.02359	5.6
88.03919	2.7
88.55957	1.5
92.04940	17.4
93.03327	3.0
96.04430	10.9
98.02360	23.4
99.04384	1.7
110.02346	5.8
116.03439	16.4
116.04935	2.1
118.02869	5.1
118.06503	2.9
119.04916	3.7
120.04442	3.7
120.79601	1.5
123.96816	1.4
128.03430	52.1
129.01839	3.5
130.06554	9.5
131.03671	59.1
132.04457	100.0
133.04797	7.1
135.04414	1.5
140.04948	8.0
141.01814	1.9
142.01343	7.1
144.04456	26.3
145.04808	1.7
146.06033	7.6
146.08096	2.2
157.07620	24.1
158.06032	35.9
173.07173	1.7
173.31512	1.6
175.08675	19.3
181.05013	3.8
187.17276	1.6
188.86157	2.0
199.08690	9.7
201.06607	8.0
201.11256	2.2
217.09805	8.6
218.10069	1.8
219.07715	29.9
219.12332	3.5
220.07976	2.5
243.07747	6.8
261.00787	7.5
261.08817	53.7
262.09222	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	261.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02849	1.5
59.01253	5.2
59.97860	0.4
66.93911	0.4
68.41959	0.4
69.49180	1.0
69.49586	2.8
70.02850	8.9
72.00792	0.7
72.04409	4.6
74.02345	100.0
75.02699	1.1
78.51882	0.4
84.04430	1.6
86.02324	0.6
92.04961	0.7
98.02357	23.5
99.02749	0.5
103.20756	0.4
112.33969	0.5
116.03424	42.6
117.03746	0.8
127.96287	0.4
128.03453	5.2
131.03687	2.6
131.04517	0.4
132.04448	31.8
133.04794	1.4
142.35606	0.5
144.04474	6.0
157.07559	1.0
158.06035	1.6
173.07100	0.6
175.08716	2.8
182.80244	0.5
199.08746	0.6
201.06625	10.0
201.08360	0.7
217.09888	0.6
219.07683	3.4
240.46915	0.5
261.08792	16.6
261.13049	0.6
262.09180	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0878
Annotation	(+)-Neothramycin A
Peak:m/z	Relative Intensity
55.18485	1.3
58.02846	13.0
59.01242	5.3
64.93265	1.1
65.00175	1.3
70.02852	10.5
71.56979	2.6
72.04411	4.8
73.47074	1.0
74.02341	100.0
84.04418	4.5
86.02348	2.8
92.04934	3.3
95.67599	1.2
98.01776	1.0
98.02358	24.6
102.86823	1.2
116.02593	2.7
116.03419	49.4
125.02311	1.8
125.09631	2.1
128.03435	12.2
130.06499	1.9
131.03653	10.7
132.04453	43.6
133.02849	3.7
133.04756	2.4
144.04442	24.4
146.06020	3.7
151.00247	1.9
157.05278	1.3
157.07610	5.0
158.05995	13.8
161.02344	5.8
172.07440	1.3
173.07146	2.4
175.08662	8.1
199.08719	2.7
201.06656	10.7
217.04951	3.2
217.09819	5.6
219.07692	16.5
233.00891	2.4
243.02977	1.8
243.07704	2.5
261.00452	7.3
261.04285	2.5
261.08777	39.3
261.22324	1.4
262.08997	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	261.088
Annotation	(+)-Neothramycin A
Peak:m/z	Relative Intensity
53.24147	2.3
54.17209	2.0
57.25577	2.1
58.02849	43.1
59.01250	7.8
70.02837	6.3
70.04288	10.0
74.02343	57.9
84.04421	17.9
86.02365	4.3
92.04946	12.9
98.02358	27.1
108.51951	2.0
110.02398	4.9
116.03419	29.4
116.04971	3.0
117.03741	2.1
118.02857	4.6
118.06511	3.1
121.46734	1.9
128.03438	32.3
130.06526	9.8
131.03667	83.3
132.04456	85.9
140.04953	5.4
144.04460	27.7
146.06036	7.4
147.05492	3.3
157.07629	54.5
158.06020	57.4
159.06331	2.7
160.03899	4.4
175.08690	41.9
176.08994	3.3
189.06656	5.1
199.08698	9.8
201.06702	9.7
217.09848	11.8
219.07681	42.7
219.12335	7.4
243.07697	7.5
261.08795	100.0
262.09174	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	259.1339
Annotation	Pestaloficiol J
Peak:m/z	Relative Intensity
59.01233	0.8
69.78350	3.7
71.39732	0.5
98.20448	0.7
123.04362	1.5
135.04414	9.5
143.04915	6.4
144.05266	0.6
145.02837	0.9
146.03636	19.1
147.04417	9.0
157.06383	0.7
159.04417	22.2
160.05127	2.3
161.05989	18.6
162.06578	2.1
171.04436	21.2
172.04878	1.5
173.06007	2.2
174.03162	8.1
174.06773	6.8
175.04080	4.1
175.07565	56.2
176.07947	3.5
185.06076	1.3
186.06868	0.8
187.03920	4.4
187.07562	5.7
188.04694	4.1
189.05507	59.3
189.09128	12.2
190.05836	3.8
190.09816	1.8
201.05463	0.7
201.09166	1.7
202.09917	1.6
203.07083	25.8
204.07826	9.2
215.07103	1.2
215.10670	1.3
217.08669	2.1
218.09431	8.5
229.08627	1.1
230.09445	58.3
231.09839	4.7
231.13574	1.3
241.12254	0.6
259.13382	100.0
260.13736	7.5
273.58469	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1339
Annotation	p-coumaroylhexanoylmethane
Peak:m/z	Relative Intensity
54.53451	0.2
59.01263	0.3
61.51553	0.2
71.60138	0.3
81.22421	0.2
87.00732	0.2
97.06516	0.3
105.09091	0.2
111.07999	0.2
112.87576	0.2
115.05382	0.3
119.04919	0.9
122.03632	0.5
123.04434	1.0
129.03369	2.6
130.04167	0.3
132.02112	0.2
133.02850	0.7
135.04419	1.0
139.73494	0.2
143.04935	0.3
145.02837	0.3
146.03638	7.2
147.04427	49.6
148.05078	2.5
150.03123	0.2
151.03880	0.3
152.04324	0.3
153.04453	0.4
158.03604	0.3
159.04417	4.7
160.05208	0.6
161.02357	32.3
161.05984	5.2
162.03029	2.8
162.06779	5.5
163.03841	0.4
167.04907	1.6
171.04401	0.6
172.05173	0.5
173.02371	0.6
173.05994	2.3
174.03113	1.7
174.06790	0.7
175.03931	80.0
175.07487	9.6
176.04254	4.0
176.08028	0.7
177.09109	0.8
183.04456	0.6
185.06015	9.2
185.44652	0.3
186.06424	0.5
187.03967	1.4
187.07561	1.1
188.04756	1.0
189.05515	4.2
189.07188	0.4
189.07516	0.3
189.09114	3.3
190.05914	0.3
190.09918	2.4
191.03537	0.3
192.04237	1.1
199.07556	1.2
200.08366	9.3
201.05487	0.6
201.09045	1.0
202.06296	2.6
202.09908	0.5
203.07074	3.6
204.07872	4.3
205.08412	0.5
215.07028	0.4
215.10675	1.0
216.07854	0.2
217.08673	1.1
217.14352	0.4
218.09436	48.7
219.09790	3.3
222.08893	0.8
230.09477	1.8
230.13051	0.4
231.09929	0.2
231.13876	4.2
232.14224	0.6
241.12328	0.3
250.08572	0.3
259.13394	100.0
260.13736	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	259.134
Annotation	Dihydroshikonofuran
Peak:m/z	Relative Intensity
59.01263	0.3
65.78551	0.2
69.03309	0.4
69.99440	0.3
71.60171	0.4
83.04895	2.0
93.17445	0.2
107.04919	1.5
119.04911	0.3
121.02869	1.4
126.02850	0.3
127.11174	0.2
132.02071	0.3
133.02808	0.4
133.06548	0.4
135.04422	13.5
136.05188	0.7
137.02357	0.7
141.27074	0.3
143.04921	0.9
145.02821	0.3
146.03661	1.0
147.04430	2.8
149.02365	0.7
150.03081	0.5
157.06415	0.2
159.04463	0.5
160.05197	0.4
161.02393	0.5
161.06001	3.4
162.06770	0.9
163.03954	1.0
164.21899	0.2
171.04402	0.7
173.05972	0.4
174.06689	0.6
175.03909	1.3
175.07536	1.5
176.08369	2.4
185.05861	0.3
187.03966	0.6
187.07509	0.3
189.05540	1.8
189.09163	1.3
190.09924	70.3
191.10272	4.1
192.07832	1.9
202.09908	0.6
203.06967	0.5
204.07887	2.9
205.08623	5.2
206.08923	0.3
208.07307	0.3
209.11794	0.4
215.10735	0.7
216.07886	0.7
218.09448	2.4
219.09773	0.3
222.08928	46.4
223.09253	2.9
230.09445	0.8
231.02946	0.9
231.13870	100.0
232.07361	0.4
232.14201	8.5
241.12270	0.8
250.08362	1.8
259.02496	0.8
259.13376	65.4
260.13705	5.7
260.16290	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00145	2.3
59.01251	36.5
65.69255	2.2
71.58675	2.3
71.59071	3.0
80.52736	2.4
97.13564	2.2
98.76450	2.1
125.09602	46.1
135.08066	10.6
152.97774	2.7
153.07849	3.4
153.09117	64.4
154.64584	2.4
171.10168	48.9
197.08104	31.4
215.09190	100.0
216.09673	3.5
231.40193	2.6
232.42998	2.5
256.23666	3.8
257.04413	4.8
257.10251	13.3
257.24051	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	257.2121
Annotation	2-hydroxypentadecanoic acid
Peak:m/z	Relative Intensity
51.25504	0.4
55.01740	0.4
66.66382	0.4
69.25879	0.4
70.96571	1.3
72.99204	0.5
73.42414	0.3
84.02033	0.4
97.23186	0.4
97.35783	0.4
116.92735	0.5
135.30637	0.3
140.61903	0.4
159.83586	0.4
183.17488	1.4
209.19086	4.3
210.19328	0.7
211.20618	70.3
212.20985	5.5
220.97623	0.4
227.39360	0.6
239.20100	1.5
257.21210	100.0
258.21548	8.3
264.52060	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0224
Annotation	D-Allose 6-phosphate
Peak:m/z	Relative Intensity
56.86691	0.2
65.07633	0.2
69.90278	1.2
71.01257	0.5
78.95778	100.0
87.05530	0.2
96.96844	71.0
98.19898	0.2
101.02360	0.4
108.90054	0.2
118.41920	0.2
138.96957	0.2
138.97919	3.9
142.35031	0.2
150.97945	0.4
153.06598	0.3
168.98953	1.3
174.48131	0.2
178.96083	0.9
198.90451	2.1
199.00069	1.7
207.06909	0.2
214.93677	1.1
216.90565	6.5
217.90669	0.6
223.00009	0.5
234.91628	1.3
240.91530	2.0
241.01207	1.3
258.92166	2.8
259.02228	20.7
259.91824	0.3
260.02502	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91494	2.5
59.01252	100.0
69.03329	3.0
71.01257	4.4
71.02245	2.6
71.57814	5.9
72.99185	16.2
79.25043	2.7
81.03310	3.5
83.04897	2.9
84.50946	3.1
87.59692	2.7
91.05398	3.7
93.03360	5.7
95.04900	4.3
107.04919	25.1
108.02058	14.2
108.47366	2.7
109.02885	8.0
117.03347	3.8
119.04934	34.1
121.02856	5.5
123.04409	7.5
125.09604	21.0
134.03627	9.7
135.04414	32.8
135.08060	3.4
147.04471	8.6
151.03938	6.0
152.88933	2.8
153.09138	29.7
163.03928	10.4
163.30624	3.4
165.05479	11.7
171.10185	17.4
177.05431	4.8
179.03467	4.7
181.04959	12.8
197.04504	7.1
197.08252	16.0
215.05598	18.4
215.09164	42.8
216.09712	3.6
251.32748	3.1
256.23645	6.0
257.06610	7.5
257.10385	5.6
257.23941	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	257.0819
Annotation	Davidigenin
Peak:m/z	Relative Intensity
50.45991	0.5
59.01228	1.0
59.97363	0.4
65.03835	9.7
67.01759	0.5
69.56694	3.2
69.57101	0.8
74.02342	0.8
74.86136	0.4
83.01266	0.7
83.04949	0.5
88.03924	0.9
90.06763	0.5
91.01785	2.1
93.03320	4.6
107.04908	13.9
107.16040	0.5
108.02053	0.6
109.02847	9.8
122.03630	1.9
125.02294	0.7
135.00778	2.0
137.02327	3.2
143.27666	0.6
150.03140	0.9
151.03917	100.0
152.04247	3.9
153.01807	1.2
163.03920	1.8
179.11789	0.5
181.81870	0.5
215.09256	0.8
225.05460	0.6
241.05069	1.3
242.05850	1.1
256.23599	3.5
257.04410	0.9
257.08182	14.6
257.13840	0.6
257.23975	2.2
258.08493	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0817
Annotation	Cochinolide
Peak:m/z	Relative Intensity
52.66713	0.5
59.01252	0.6
63.20179	0.5
65.03831	5.5
67.01753	0.8
70.70602	1.6
79.05386	0.9
81.03326	1.1
83.04903	1.5
91.01783	1.1
93.03336	12.0
95.01271	0.9
95.04904	1.1
95.66413	0.6
99.75840	0.5
99.92410	0.5
105.18523	0.5
106.04127	25.5
107.04913	59.8
108.02051	12.7
108.05235	2.7
109.02860	5.3
109.28072	0.5
119.04893	0.7
121.02843	13.7
122.03656	1.0
135.00783	1.1
138.03133	3.8
151.03917	43.1
152.04224	2.0
163.03827	0.9
171.08058	2.0
211.07510	1.1
213.09151	79.7
214.09496	6.2
256.23511	3.8
257.08170	100.0
257.23874	1.3
258.08505	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	256.1916
Annotation	N-Lauroylglycine
Peak:m/z	Relative Intensity
63.87902	0.2
66.64519	0.2
70.07909	1.5
72.04405	0.6
74.02343	100.0
75.02672	1.1
79.95600	0.8
84.04431	1.2
84.17039	0.3
93.06557	0.3
98.20129	0.8
112.72001	0.3
163.49283	0.3
184.00102	0.8
184.50235	1.9
184.99973	1.0
205.90094	0.3
212.20148	4.3
219.84489	1.0
255.58893	1.4
256.08890	1.0
256.19171	32.8
256.23392	8.6
256.58765	0.3
257.19501	2.5
257.23825	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0661
Annotation	Pinocembrine
Peak:m/z	Relative Intensity
59.62943	0.3
63.02269	5.7
65.00198	7.4
68.99683	0.6
69.52004	1.1
69.52428	1.7
80.02557	0.3
80.62292	0.3
83.01250	6.0
85.97511	0.4
87.16397	0.3
95.01249	0.4
101.96181	0.4
107.01269	9.4
108.02055	1.0
123.00763	0.7
125.02353	0.7
136.01570	0.9
141.06984	0.8
145.06482	5.8
151.00273	10.7
155.08521	0.4
157.06488	0.4
164.01064	1.6
165.78499	0.3
169.01376	0.6
169.06499	2.6
171.04420	6.7
172.05209	1.7
183.08066	0.9
185.06027	2.3
187.07550	2.4
211.07582	3.0
213.05505	9.7
214.05811	0.9
216.28658	0.3
227.07108	1.0
255.06602	100.0
255.23268	7.5
256.06952	7.8
256.23584	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1025
Annotation	AK-087/42718243
Peak:m/z	Relative Intensity
51.40709	0.3
69.03342	0.6
69.68274	0.5
69.68685	2.4
79.01766	0.5
79.21156	0.4
80.02545	8.3
91.01794	0.7
95.01273	0.5
107.01274	22.9
108.02059	45.2
109.02340	0.9
111.90606	0.4
119.04926	1.2
121.02852	2.5
123.00789	4.5
123.04425	1.9
124.01576	1.1
130.90601	0.4
135.00790	0.7
136.01570	60.2
137.01910	2.7
149.02361	8.8
163.03923	1.0
239.07109	1.9
255.10255	100.0
255.23288	10.7
256.10620	9.5
256.23697	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24539	15.2
59.01265	100.0
61.92390	15.7
69.33600	16.6
70.02448	45.5
70.02874	51.0
74.82516	16.4
79.50603	16.4
86.41634	18.3
151.34755	22.7
178.99297	20.3
189.14502	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	253.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73367	11.4
59.01250	100.0
70.54911	30.3
71.01272	30.0
89.02343	20.8
98.67628	12.7
101.02319	20.4
127.30761	14.1
163.41422	12.2
187.41859	14.5
193.07092	16.2
211.05940	15.1
215.46562	13.6
228.52644	15.5
253.09171	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	253.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46947	15.5
59.01249	100.0
61.30072	13.9
70.69769	52.8
90.32822	13.8
93.89841	17.4
195.94661	14.8
200.03876	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	253.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
71.01260	12.4
71.35108	21.7
73.02818	11.7
73.84508	10.6
101.02318	13.8
119.43015	11.9
121.68122	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	253.1078
Annotation	Daldiniapyrone
Peak:m/z	Relative Intensity
55.01780	0.3
58.89552	0.4
59.01252	2.2
59.01493	0.3
61.66146	0.3
65.00193	1.0
67.01749	1.1
68.99668	0.6
69.03329	0.3
71.01244	0.9
72.99166	0.5
74.00139	0.4
74.11957	0.4
74.98785	0.3
82.00447	0.5
83.01247	1.0
85.26155	0.4
96.99194	0.4
98.19922	1.9
99.00745	0.4
100.53330	0.4
109.99993	1.1
111.00766	5.9
121.02771	0.4
123.00794	1.1
124.01540	5.4
125.02336	24.0
126.02690	0.6
127.00253	2.6
136.98712	4.2
139.00266	5.3
140.01057	11.4
151.00305	0.6
154.99771	0.8
156.72710	0.3
161.80943	0.4
168.00555	7.8
169.01340	19.1
170.01610	0.7
176.61469	0.4
201.59637	0.3
209.15396	2.4
211.03938	0.4
229.89587	0.6
247.90321	0.4
253.10786	100.0
254.05832	4.9
254.11121	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	253.2172
Annotation	Hexadecenoic acid
Peak:m/z	Relative Intensity
98.20547	67.7
99.96421	22.5
103.86216	23.0
108.08785	28.2
207.26140	23.9
248.80692	21.8
253.21692	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	255.0661
Annotation	Isoliquiritigenin
Peak:m/z	Relative Intensity
56.33257	0.4
65.00214	0.4
67.71070	0.3
79.64880	0.4
80.02549	1.6
86.35838	0.3
91.01771	23.9
92.02108	0.5
93.03307	0.6
94.54585	0.3
107.01274	4.5
108.02061	8.3
119.04918	100.0
120.05264	4.4
121.02898	0.7
123.00807	0.8
135.00781	28.2
136.01578	10.7
149.02357	2.8
153.01842	27.4
154.02167	0.9
163.03812	0.4
213.05580	0.7
255.06612	39.2
255.10234	20.0
255.23273	19.1
256.06958	3.7
256.10477	2.0
256.23532	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25113	3.7
51.25353	3.8
52.50465	3.5
59.01247	100.0
67.10092	3.7
71.01249	6.1
72.99181	6.8
73.02806	4.5
78.95783	9.8
87.00758	4.3
101.02323	7.7
122.07033	3.4
122.31234	3.6
141.11111	3.9
149.03159	3.8
161.04446	9.9
164.64192	3.9
192.93924	4.2
193.07114	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39418	11.3
59.01255	100.0
61.31672	9.3
70.02863	58.8
71.01242	19.2
87.87911	9.3
89.02337	14.7
98.20478	13.0
101.02316	18.0
103.42963	9.1
127.62472	10.3
136.05698	11.4
161.04488	10.9
162.31015	11.5
193.06979	12.3
196.41942	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	252.0512
Annotation	N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate
Peak:m/z	Relative Intensity
59.01258	0.7
71.01256	7.4
71.27997	0.6
76.29306	0.2
88.03917	2.7
91.01774	1.2
93.03334	16.8
94.03674	0.7
114.01881	0.5
114.28342	0.3
115.00255	14.2
118.02874	15.0
119.03165	0.5
121.02859	1.0
132.02930	3.7
136.03940	100.0
137.02353	6.7
137.04289	3.9
138.02722	0.3
146.06006	2.1
162.05521	0.6
164.07079	7.2
165.07338	0.3
189.76115	0.2
190.04953	0.5
208.06087	5.9
209.06291	0.3
234.03989	1.5
252.05115	19.6
253.05470	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0732
Annotation	Neopterin
Peak:m/z	Relative Intensity
59.01261	1.1
70.89879	0.4
73.17582	0.2
79.95609	100.0
80.95556	0.6
80.96389	0.9
104.42035	0.2
121.02864	0.2
126.12794	0.5
150.09081	0.2
160.11504	0.4
188.11086	8.6
189.11388	0.6
252.07329	33.2
253.07477	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	253.087
Annotation	5-Methoxyflavanone
Peak:m/z	Relative Intensity
52.08741	0.5
53.04977	0.4
53.23289	0.5
57.62505	0.4
59.01242	2.8
64.67648	0.4
66.39453	0.4
71.21883	1.0
80.02536	1.5
95.01251	1.5
102.67779	0.4
107.01262	2.4
108.02049	16.1
113.27397	0.4
121.02776	0.5
123.00813	0.8
133.02773	0.6
136.01558	8.4
138.86206	0.5
155.47833	0.4
160.16238	0.5
161.02350	17.1
170.56581	0.5
193.06496	2.5
195.04549	0.6
209.06018	18.6
210.06726	6.2
221.05841	0.6
233.21407	0.6
237.05534	55.5
238.06149	12.8
239.06664	0.7
253.08678	100.0
254.09016	11.0
270.05386	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.3
69.58796	0.4
69.59206	1.7
74.91920	0.2
88.15378	0.3
91.01769	8.9
104.02570	0.7
108.02048	0.6
125.02332	1.2
126.02631	0.8
132.02071	19.2
133.02400	0.7
134.99840	0.5
135.00789	7.1
136.01074	0.3
153.01851	3.7
167.04944	2.6
169.01357	0.8
170.01686	0.8
180.05717	2.0
195.04448	27.2
196.04865	2.4
207.04547	0.4
208.05252	6.5
209.05713	0.3
223.03960	45.2
224.04625	11.1
224.09557	0.3
250.02705	0.4
251.03481	25.1
252.04251	100.0
253.04608	10.0
266.51495	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	8.4
57.03326	4.8
58.00465	3.7
58.34422	2.9
59.01246	54.2
70.32933	12.3
71.01251	100.0
72.99220	6.2
73.02816	33.6
75.00721	3.8
76.21075	2.7
79.53970	2.6
83.01244	15.4
85.02819	47.7
85.75204	2.6
87.00739	6.6
89.02308	22.4
95.01239	6.5
98.20448	3.8
99.00753	14.1
101.02322	85.8
109.36572	3.8
113.02335	41.5
119.03400	7.2
137.24835	2.8
149.50281	2.7
149.76543	3.1
150.11900	2.9
159.02885	11.0
161.04462	40.8
215.41113	2.9
251.11353	18.5
251.14471	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	251.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92223	0.2
53.82588	0.2
55.01767	0.7
57.03328	0.3
59.01245	0.4
65.00191	0.6
67.01757	0.8
67.85229	0.2
68.99688	0.5
69.03339	1.7
71.01252	0.3
71.04904	1.3
71.60757	0.3
72.49771	0.2
73.58564	0.2
73.81483	0.2
79.01773	0.8
79.05436	0.2
80.02549	1.6
80.87294	0.2
81.03333	11.1
81.06989	0.2
82.03664	0.3
83.01260	6.0
83.04903	0.4
84.02029	0.4
85.06493	0.5
93.03352	0.9
95.01280	0.6
95.04906	23.7
96.05227	0.7
97.02837	6.2
99.04399	3.9
99.08041	4.4
101.02311	0.3
101.05962	4.0
105.03333	0.5
106.04156	0.2
107.01271	0.9
107.04935	0.3
108.02060	1.7
109.02848	0.5
109.06445	0.6
121.02843	1.3
121.06436	0.3
122.03645	2.3
123.00770	0.8
123.04424	6.2
123.08051	5.4
124.01553	0.4
124.04718	0.4
124.08406	0.2
125.02345	27.2
125.05977	15.8
125.06931	0.4
126.02673	1.0
126.06322	0.5
127.07552	0.5
135.04419	0.5
135.08035	0.8
135.11687	0.3
137.02348	0.8
137.09633	1.2
138.03122	0.6
139.03932	1.9
141.09105	1.6
147.07993	0.2
149.02324	1.0
149.05986	0.8
150.03087	0.5
151.00272	0.4
151.07574	0.2
151.11220	0.5
152.01059	0.6
161.09622	1.1
163.07579	1.0
163.11293	0.2
164.04651	0.2
164.08351	5.1
165.01868	0.8
165.09129	4.9
166.02589	0.9
166.09503	0.3
167.03418	27.4
167.07072	3.0
168.03796	1.5
175.03929	0.2
176.01036	0.6
177.09120	0.7
178.06258	0.8
179.03377	0.4
179.10706	18.2
180.11058	1.5
181.08649	2.2
183.10222	2.5
184.10539	0.2
189.09148	1.0
193.01268	0.4
205.08624	2.4
207.06645	1.0
207.10214	6.1
207.13611	0.3
208.07281	0.4
208.10490	0.4
209.08142	1.2
223.09698	3.5
233.08119	1.7
251.09229	100.0
252.09566	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	250.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01230	2.2
61.10962	0.5
71.01250	8.5
72.00780	0.8
88.03912	100.0
89.04240	1.8
91.05405	3.0
114.01849	5.6
115.00259	16.1
116.07484	0.6
132.02917	97.1
133.03262	2.7
134.06035	0.9
135.04442	2.8
206.08195	1.7
250.07181	9.6
250.14476	2.5
251.07553	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01227	1.3
69.61005	0.3
69.61301	3.5
70.02838	0.8
71.01255	6.8
88.03917	85.0
89.04260	1.4
91.05415	2.7
98.19869	0.8
114.01862	4.8
115.00256	14.0
132.02925	100.0
133.03268	1.9
134.05989	0.6
135.04414	4.8
206.08154	1.6
232.06125	0.9
250.07178	12.2
250.14519	1.3
251.07498	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.2
70.35697	1.7
71.01253	6.3
88.03912	82.2
89.04271	1.1
91.05411	2.3
114.01854	5.8
115.00256	14.6
118.97856	0.4
120.50517	0.5
120.99784	0.4
132.02919	100.0
133.03281	1.5
134.06023	1.1
135.04413	3.5
206.08223	1.8
232.06238	0.9
250.07162	12.0
250.14464	0.7
251.07614	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	76.2
68.46541	2.6
71.01250	4.1
71.59903	3.2
72.99182	8.1
73.42319	2.5
80.96391	4.7
102.09045	2.4
113.02323	3.3
119.04916	16.0
135.92093	2.1
147.04419	100.0
147.06218	4.0
148.04700	4.0
165.05493	94.1
166.05797	4.8
191.05481	2.9
207.06602	4.6
251.09396	2.7
251.14778	4.8
263.00891	2.1
267.10272	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	249.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	14.1
57.03325	8.3
58.00460	5.8
59.01252	74.9
59.60973	1.5
63.50691	1.5
68.85070	1.6
69.03331	1.6
71.01256	94.0
71.59702	2.5
72.99180	7.1
73.02820	45.1
73.49458	1.5
75.00732	2.3
83.01256	28.1
85.02828	51.0
85.03347	2.6
85.06471	2.9
85.99982	3.8
86.03189	1.9
87.00744	6.4
87.08014	2.0
88.03960	2.7
89.02297	4.8
95.01250	7.2
97.02869	1.6
99.00758	14.8
101.02326	100.0
111.00764	2.8
112.03951	1.7
113.02332	39.2
114.47144	1.6
124.01557	1.9
129.01839	1.9
131.03604	2.2
132.02930	6.9
143.03398	2.8
144.04453	6.4
145.31499	1.7
146.06039	2.6
152.08086	1.5
159.02873	7.0
159.04071	1.5
161.04463	16.0
162.03107	3.3
172.31458	1.9
177.05545	2.4
190.04968	2.9
249.07674	4.9
249.13237	18.1
250.14369	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	249.1493
Annotation	Sch 601254
Peak:m/z	Relative Intensity
57.03321	2.8
59.01246	11.3
69.03326	42.4
70.03699	2.2
71.01237	2.5
71.58773	3.0
73.02803	3.5
83.04867	3.2
90.37386	1.6
93.03334	1.9
95.04888	5.3
97.06487	4.6
101.02319	2.3
111.08053	2.2
113.28862	1.5
133.10057	1.8
134.07245	2.2
149.13231	2.3
161.13303	2.3
167.10695	4.5
169.84595	1.6
187.14851	4.7
193.12251	9.4
205.12312	10.8
205.15901	17.1
221.11900	1.8
221.15436	20.1
231.13840	35.7
232.14093	3.4
248.58131	2.0
249.14937	100.0
250.14496	35.9
267.11230	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	249.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59121	1.4
59.01250	2.1
70.96895	2.7
72.05343	1.2
72.78647	1.1
88.03870	1.2
127.07550	6.8
150.94914	1.2
151.11188	1.7
167.06836	3.0
175.71437	1.3
179.10619	1.8
181.12279	25.8
182.12701	1.5
183.13849	1.6
197.51428	1.2
199.07399	2.3
201.08942	4.1
203.10474	10.5
203.66154	1.3
205.12225	3.6
205.15863	2.1
217.08415	2.9
219.10011	6.4
221.11560	8.3
223.13115	63.9
224.13338	6.1
233.07898	8.2
235.09503	10.7
237.11070	18.6
241.14081	2.6
249.11081	64.0
249.15068	4.6
250.11504	5.9
250.14513	14.0
251.08995	1.5
265.10544	12.3
267.12134	100.0
268.12466	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	249.1242
Annotation	N-Caffeoylputrescine
Peak:m/z	Relative Intensity
50.30845	0.8
58.02847	10.3
67.02898	0.6
68.86317	0.7
69.51754	6.1
70.02855	1.1
71.01265	1.2
72.00776	2.9
74.02343	8.8
76.61784	0.7
82.02850	4.4
84.04419	11.1
86.02346	5.0
88.03922	2.2
90.94001	0.8
91.05411	4.0
91.92351	0.7
91.95038	0.7
97.03939	1.0
98.02355	1.7
99.05524	8.7
101.07094	5.8
102.60661	0.7
107.02378	1.9
109.03950	13.5
115.05048	2.3
116.03421	1.4
118.06525	2.3
125.03471	1.4
127.05026	96.8
128.03424	16.0
128.05368	2.2
131.03639	2.9
132.02948	1.8
135.04419	1.9
144.04451	19.6
144.05527	1.5
145.04898	1.2
145.06117	2.9
146.06018	8.2
172.03931	2.2
174.09172	1.0
190.05017	10.4
191.05391	1.1
201.10277	0.8
205.04890	0.9
205.13409	4.7
205.16013	0.9
229.09802	1.5
231.11382	10.3
234.26569	0.8
240.82297	0.8
249.12416	100.0
250.07359	0.9
250.12312	6.7
250.14606	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	249.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19662	1.6
54.86323	1.6
55.01761	12.1
57.03310	8.2
58.00456	5.4
59.00948	3.5
59.01252	67.4
60.29124	1.9
63.83835	1.7
71.01251	88.3
72.70879	1.8
72.99180	7.2
73.02820	39.3
75.00735	3.5
81.02160	1.9
83.01264	20.0
85.02822	56.0
85.06463	4.2
85.99953	3.5
87.00745	5.2
89.02305	3.3
95.01256	6.2
97.02829	1.9
98.20541	4.8
99.00758	14.4
101.02322	100.0
102.02625	3.0
111.00761	3.2
113.02334	34.9
128.22998	2.4
129.01855	2.5
132.02924	2.9
143.03355	2.3
144.04410	2.5
159.02888	7.1
160.20862	1.9
161.04474	19.0
166.12788	1.6
200.16800	1.7
202.35294	1.8
204.04167	2.8
205.12228	2.0
249.07915	2.8
249.13281	18.4
250.14468	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	246.098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	2.5
62.85498	1.2
66.03329	1.3
70.16585	2.7
70.16985	2.8
71.01256	28.4
71.04859	1.7
74.02348	100.0
75.00744	5.0
80.23769	1.4
88.03919	73.5
89.04244	1.7
96.99203	3.6
110.02331	2.4
115.00267	46.4
125.02361	2.7
130.08638	68.5
131.07034	57.8
131.09006	2.6
132.02940	4.5
132.07367	3.2
151.75041	1.2
156.10184	1.6
169.01373	1.6
202.10794	59.8
203.11044	2.6
221.35928	1.5
228.08649	6.4
246.09811	66.2
247.10109	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	247.17
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
57.63375	0.1
62.23792	0.1
69.34166	0.1
72.64944	0.1
101.87737	0.1
102.80663	0.2
106.59677	0.1
165.01926	0.2
179.07056	0.3
184.00108	0.3
205.15919	0.4
220.17010	1.0
229.22330	0.2
231.13884	0.6
247.17015	100.0
248.07951	0.3
248.17355	11.0
269.28290	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	247.2065
Annotation	Sterol
Peak:m/z	Relative Intensity
55.25428	0.4
57.03318	1.1
69.03319	1.6
69.29227	0.7
69.29630	4.2
70.98849	0.5
74.35180	0.4
80.02567	0.5
83.04897	0.9
85.06470	0.7
89.58961	0.4
93.03324	0.9
95.04909	0.4
97.06476	1.4
98.20586	0.7
107.04893	0.5
108.05720	1.2
109.06482	0.5
111.08009	0.7
121.10152	0.5
123.08098	0.7
125.09578	0.9
139.11205	0.7
153.12706	0.6
178.35381	0.4
184.00075	3.3
191.17967	1.0
229.19550	2.5
245.19028	1.0
247.02463	1.2
247.13591	3.7
247.16699	2.7
247.20642	100.0
248.07957	4.0
248.13797	0.6
248.16847	0.4
248.20969	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	249.088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23981	0.5
58.02850	9.2
59.01253	1.6
69.47228	0.5
69.47583	4.7
71.01256	2.5
73.02805	0.6
74.02349	1.6
84.04427	1.3
85.02835	0.6
85.45083	0.5
88.03924	5.6
88.11716	0.6
91.05383	0.6
92.04926	3.4
98.19800	0.9
99.05524	1.7
101.02318	1.2
101.07098	1.3
107.02361	0.6
109.03973	1.9
113.02329	1.3
116.04974	3.3
118.06514	13.6
119.06886	0.8
127.05035	11.3
128.03436	2.2
128.04950	11.8
131.03673	13.2
132.02940	7.4
132.03876	1.2
135.04436	0.9
144.04465	100.0
145.04825	4.6
146.06029	45.8
147.06367	1.7
164.07065	1.6
172.03975	10.5
173.04343	1.2
177.01910	0.8
190.05037	61.3
191.05426	3.7
191.06891	0.6
205.04976	0.7
206.08231	1.1
209.99898	0.6
231.11365	1.3
234.05373	0.7
249.03928	0.7
249.08746	1.7
249.12447	12.7
249.14886	1.3
250.07195	1.6
250.14647	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	245.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36088	0.7
58.02848	24.7
61.67156	0.6
69.97398	3.5
70.02851	17.5
72.00776	5.2
72.04426	3.5
74.02345	100.0
74.09280	0.8
75.02676	1.1
98.02352	24.2
116.03431	35.9
116.04935	31.1
117.03789	1.0
117.05274	1.4
118.90627	0.7
130.06548	3.6
142.06522	7.6
156.08081	1.0
159.09192	6.5
170.03998	0.8
183.09219	2.3
186.05530	2.1
201.10280	9.8
203.08192	95.4
204.08510	7.5
245.09279	81.1
246.09601	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	245.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19706	0.5
57.03315	1.9
58.02842	1.8
59.01251	48.0
70.02853	1.0
71.01263	0.6
74.02344	5.3
92.03405	0.5
98.02359	1.3
98.20560	1.5
111.08019	0.6
113.09601	1.7
116.03415	1.7
116.04956	2.1
127.11147	1.4
139.11163	1.3
141.09175	0.6
142.06541	5.0
147.97980	0.7
155.10703	3.1
157.12257	19.4
158.12527	0.6
164.07033	0.6
185.11757	14.6
186.05539	1.2
186.12106	0.9
203.08177	3.5
203.12827	100.0
204.06619	2.4
204.13136	7.3
216.11404	0.6
231.91608	0.7
245.00761	0.8
245.04567	1.1
245.09526	3.4
245.11652	1.1
245.13911	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	246.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37464	0.9
55.01756	2.0
58.02836	3.4
59.01277	2.3
60.38686	1.0
70.02844	1.4
70.24506	0.9
70.40160	3.4
71.01254	11.3
72.04414	3.4
74.02335	10.9
75.02669	1.7
82.02823	1.2
85.50278	1.1
88.48749	1.0
96.00793	4.2
96.95422	1.0
98.02351	3.6
99.00743	1.4
109.01576	27.4
114.01851	3.2
114.09135	4.0
115.00276	2.3
116.03426	3.6
116.04945	2.6
117.03738	1.4
117.05276	2.2
130.08629	100.0
131.08961	2.2
138.09145	1.4
140.10715	12.3
142.08647	14.2
156.10214	2.1
166.08620	8.8
168.06630	1.4
178.85043	1.1
184.09666	6.3
186.07645	4.4
202.10622	1.4
203.08261	1.6
204.08575	9.5
206.60875	1.1
210.05687	2.4
210.07646	36.3
211.07907	1.9
215.50662	1.0
220.10687	1.0
228.08794	9.9
246.09851	9.2
247.02357	1.3
247.06088	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0929
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
58.02848	27.8
59.01241	0.7
69.92302	0.7
70.02851	14.6
71.27151	1.3
72.00768	5.0
72.04413	4.2
74.02343	100.0
75.02684	0.9
90.71899	0.8
98.02352	22.1
116.03433	24.7
116.04935	37.2
117.03766	1.1
117.05282	1.7
121.51730	0.7
130.06523	4.3
142.06520	8.9
147.02562	0.7
156.08157	0.8
159.09167	7.8
160.02298	1.1
183.09171	2.2
186.05475	2.5
201.10294	8.0
203.08194	75.7
204.08534	4.6
245.09273	49.1
246.09639	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	245.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73095	0.9
58.02848	24.0
59.01252	4.4
59.65131	0.8
62.89603	0.7
69.31798	8.1
70.02852	15.4
71.01248	5.1
72.00768	4.4
72.04412	3.3
72.99177	0.9
74.02347	100.0
75.00739	1.4
75.02679	0.8
83.25212	0.8
85.02796	2.4
87.00756	4.0
98.02352	23.5
99.00769	1.4
105.77706	0.7
109.02838	1.3
113.02289	1.2
116.03436	26.8
116.04944	37.2
117.05280	1.1
120.04917	0.8
120.66938	0.8
127.97919	0.8
130.06506	4.5
134.03168	0.8
142.06509	8.5
149.02425	0.9
152.36963	1.0
157.54498	0.9
159.09163	4.0
183.09210	2.3
186.05548	1.1
199.03909	1.1
201.10300	8.1
203.08199	74.1
204.08542	4.6
215.03325	1.3
224.03207	0.9
236.12117	0.9
245.09282	56.7
246.02715	0.9
246.09560	4.5
264.35391	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.093
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
51.29256	0.9
58.02854	23.1
59.01254	1.0
61.61150	0.9
69.55079	7.4
70.02507	1.5
70.02860	18.3
72.00773	3.7
72.04418	5.0
74.02349	100.0
75.02676	1.0
90.48458	0.9
98.02358	22.5
116.02595	2.0
116.03433	40.0
116.04947	33.8
117.03772	1.3
117.05257	1.2
130.06528	4.1
138.36830	0.9
142.06516	7.4
143.06915	1.1
149.37296	0.8
159.09171	4.4
161.04742	1.0
183.09181	2.4
186.05640	1.1
201.10281	10.4
203.08208	100.0
204.08569	6.1
245.09299	85.2
246.09650	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	243.1964
Annotation	2-Hydroxymyristic Acid
Peak:m/z	Relative Intensity
71.07167	0.7
71.07506	1.5
72.99178	0.9
74.54167	0.6
83.37648	0.6
89.41552	0.6
110.02377	1.5
133.46162	0.6
146.79103	0.6
160.81815	0.6
169.15872	0.8
172.39555	0.6
175.41176	0.6
181.15726	0.8
193.15854	1.0
195.17456	5.7
197.19041	76.3
198.19374	6.4
225.11229	0.9
225.18541	1.6
241.18083	1.0
243.19626	100.0
244.19955	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	244.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02846	0.6
59.01242	2.1
60.65087	0.5
64.77776	0.4
65.00171	0.8
70.02851	1.8
70.17113	1.6
71.01254	11.1
74.02332	0.7
74.64372	0.4
83.01256	0.6
88.03916	100.0
89.04256	1.6
93.03322	0.5
96.99187	4.9
98.19846	0.4
101.84331	0.4
107.01321	0.9
111.08038	0.5
114.01854	5.3
115.00258	20.6
120.67490	0.5
122.19726	0.4
128.10709	62.6
129.09111	30.1
129.11038	2.9
130.09459	1.1
132.02925	5.4
135.95819	0.5
151.00258	1.1
154.12299	1.2
156.13881	0.5
157.12215	0.4
172.09724	0.8
177.64780	0.5
182.11807	4.1
199.03920	0.5
200.12863	21.9
201.13130	1.1
203.08275	0.5
203.12782	2.2
226.10719	4.4
243.02951	6.5
244.03355	1.5
244.11874	48.1
245.12096	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	245.043
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59998	13.1
59.01262	96.5
64.92523	17.0
69.90713	81.9
71.01255	68.4
72.99198	28.4
78.95784	45.2
85.02831	41.2
87.00746	77.8
89.02312	49.6
92.95874	17.2
94.95583	22.2
97.02839	17.1
98.02404	15.4
98.19843	15.5
99.00757	22.3
101.02325	73.0
112.03988	16.1
112.92206	16.3
113.00394	19.9
117.06564	18.5
119.03375	100.0
125.02354	14.9
134.96892	21.5
136.96611	16.4
152.99522	31.8
157.03027	26.0
160.96661	17.1
174.04453	15.4
175.04163	29.7
205.84201	14.5
206.99103	23.0
208.98816	34.4
245.04480	45.0
245.07570	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1235
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
55.01752	1.9
59.11405	0.5
65.03411	0.4
65.12621	0.5
71.01270	0.5
71.04893	0.9
71.57424	0.5
73.02818	100.0
74.03159	1.5
99.00760	4.0
117.01838	0.9
125.09611	13.9
126.09954	0.8
126.60902	0.5
128.04370	0.5
163.11159	1.8
169.08620	7.1
181.10770	0.8
181.12267	9.2
190.82143	0.5
199.03922	0.5
199.13332	17.5
200.13667	1.5
207.10196	8.8
208.10477	0.6
225.11273	14.9
226.11734	1.4
243.02956	2.1
243.12337	32.2
244.12779	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	243.1599
Annotation	Sarmentoic acid
Peak:m/z	Relative Intensity
55.01760	0.3
57.03316	1.2
59.01241	0.6
65.00191	0.9
69.03334	0.3
69.38557	1.9
72.99172	0.4
74.54521	0.2
75.17123	0.2
83.01276	0.4
83.04906	1.5
84.02055	0.5
85.06462	1.8
88.03935	0.5
91.82146	0.2
93.03330	0.6
97.06473	0.7
98.20490	0.4
107.01244	0.3
109.06496	0.2
117.03384	0.2
123.08057	1.1
128.10689	0.4
139.11194	6.1
140.11536	0.4
141.12708	0.5
151.00281	0.8
151.11183	1.0
153.12767	0.2
154.52888	0.2
163.11183	0.8
167.14406	0.3
171.04420	0.5
175.04012	0.3
177.12694	0.2
179.14366	1.5
181.12326	1.4
195.13881	2.5
197.15404	43.6
198.15738	3.8
199.03871	1.0
200.13031	0.3
201.01900	0.4
201.11305	0.5
215.03438	0.4
216.04179	0.3
225.11404	0.4
225.14944	1.7
226.15247	0.2
241.14424	0.7
243.02971	10.0
243.15982	100.0
244.03653	0.6
244.16321	9.0
259.18185	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1759
Annotation	N-Undecanoylglycine
Peak:m/z	Relative Intensity
61.54314	0.3
71.37561	0.8
74.68109	0.3
75.78691	0.3
81.62822	0.3
86.82381	0.3
155.55377	0.3
172.42249	0.5
179.14331	0.5
181.15910	30.4
182.16214	2.4
198.18553	1.3
199.03996	0.4
206.15358	0.4
211.13306	0.6
224.14403	0.7
224.16501	6.0
225.14928	28.3
226.15215	2.2
242.17590	100.0
243.06555	1.3
243.15950	17.8
243.18019	6.9
244.16281	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	243.0619
Annotation	Spongouridine
Peak:m/z	Relative Intensity
57.67478	1.0
66.03358	13.8
67.11339	0.8
68.01289	2.7
70.23991	3.3
71.01240	1.9
82.02856	31.0
83.01261	1.5
83.03224	1.2
87.00779	1.2
87.33567	0.9
89.02336	1.0
94.02885	2.7
96.00793	1.0
96.04426	1.9
100.96311	1.0
103.35476	1.0
108.04419	3.2
110.02361	100.0
111.01907	3.9
111.02715	4.1
117.01831	1.1
122.02363	9.8
124.03986	3.8
129.10251	1.2
140.03450	8.2
152.03452	14.8
153.02924	6.4
200.05588	25.9
201.06013	1.3
226.11887	1.2
243.06197	13.3
244.06372	1.3
245.79726	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1234
Annotation	9-Hydroxyhexylitaconic acid
Peak:m/z	Relative Intensity
50.27651	0.7
58.10860	0.8
59.01250	100.0
60.01596	1.2
60.25299	0.7
60.99179	0.8
65.01311	0.8
69.40409	1.5
69.40801	6.6
82.02872	0.9
131.01465	0.7
137.09666	1.0
139.11182	16.1
140.11534	0.9
163.11255	1.4
165.09109	2.6
166.66081	0.7
181.12279	15.7
181.13870	0.8
182.12616	0.9
183.02859	2.0
183.10181	39.5
184.10585	1.4
199.13351	16.8
200.13705	1.0
209.84921	0.7
217.07405	0.8
225.11314	7.7
243.03001	1.4
243.12338	48.0
244.12590	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	241.1443
Annotation	Annuionone F
Peak:m/z	Relative Intensity
57.03322	13.6
59.01250	7.8
67.01788	0.9
69.03323	2.7
71.01241	2.9
71.04903	1.0
73.02814	2.5
81.03316	3.9
83.01272	0.9
83.04887	1.6
93.03320	1.4
95.04892	5.6
97.02817	5.7
97.06475	4.2
99.04430	1.4
99.08026	3.5
107.04979	1.0
109.06466	8.2
110.03600	1.4
111.04395	4.4
119.04929	1.2
121.06458	3.2
123.04401	2.6
123.08041	7.1
124.05193	26.3
125.02296	2.7
125.05959	2.9
131.85707	0.9
133.06514	1.0
135.04460	1.3
135.08029	2.6
136.05179	10.6
137.02324	1.4
137.05942	2.9
137.09613	4.8
138.06717	1.2
139.07545	100.0
140.07843	6.7
141.09158	0.9
147.08067	1.3
149.09613	14.2
151.07549	35.0
151.11113	1.9
152.07863	2.3
153.09082	1.5
155.07033	1.7
161.09642	6.8
163.07619	1.6
163.11179	1.2
164.08319	1.3
167.07040	1.5
167.10687	2.1
169.01295	1.1
169.08589	3.8
175.11177	3.2
177.09105	4.0
179.07169	1.6
179.09109	1.7
179.10693	24.8
180.10999	1.8
181.04982	1.6
191.10741	1.0
193.12271	9.8
194.12610	1.0
197.11714	3.5
203.10672	2.7
205.12262	3.8
212.69678	0.9
221.11794	3.2
223.13344	16.9
224.13693	2.3
241.14413	67.3
241.21712	2.5
242.14746	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	241.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	4.1
59.01247	3.8
61.32023	1.3
71.04883	1.9
71.59492	2.0
71.59904	1.8
73.02836	2.0
81.03334	1.6
83.04892	5.9
83.10410	1.3
84.01253	1.4
95.04939	1.4
97.06464	9.8
97.06998	1.5
109.02903	1.4
109.06416	1.8
111.08041	10.7
137.09541	1.5
154.59914	1.2
155.10645	3.3
163.11256	2.6
165.12775	100.0
166.13133	7.3
181.15901	1.6
184.00168	1.5
197.15382	13.3
198.15862	1.4
208.37424	1.4
209.11743	5.8
223.13528	1.4
223.17061	3.2
227.12808	1.7
241.05080	2.0
241.14420	13.1
241.18062	26.8
241.21591	12.4
242.14810	2.0
242.18010	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	241.1443
Annotation	Annuionone F
Peak:m/z	Relative Intensity
57.03325	13.3
59.01248	3.9
65.01317	0.2
70.14432	1.0
71.00039	0.2
72.99170	0.3
73.02822	1.0
75.68633	0.2
83.04908	1.1
85.06464	0.6
97.06509	0.3
109.06465	0.5
121.06516	0.4
123.08059	3.4
125.05991	0.3
134.07262	0.7
135.08089	0.3
137.09625	5.0
138.09961	0.2
139.11209	2.2
149.09625	6.6
150.10014	0.4
151.11198	2.3
161.09608	0.7
165.12747	3.1
167.14311	1.6
177.12779	3.3
178.13103	0.3
179.10706	1.9
181.08656	0.5
193.12296	0.5
194.77083	0.2
195.13837	38.1
196.14160	3.2
197.11751	1.3
202.06238	0.4
223.06088	0.3
223.13335	0.6
239.12744	0.5
241.14417	100.0
242.14760	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	242.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94809	0.3
59.01265	1.8
65.38015	0.3
70.02843	1.3
71.01260	7.9
72.00785	0.4
81.84241	0.4
88.03921	100.0
89.04256	1.6
91.40488	0.4
96.99181	1.7
98.20536	1.3
114.01868	6.9
115.00263	15.9
116.00567	0.5
116.77644	0.4
126.09132	1.9
127.07538	7.5
129.71292	0.3
132.02930	62.9
133.03305	1.8
152.10718	0.4
171.04311	0.4
180.10298	0.5
197.15509	0.7
198.11266	3.3
199.03917	1.2
200.30560	0.4
224.09184	1.2
242.02176	0.7
242.10315	18.3
243.02936	4.0
243.10606	1.3
243.15999	1.2
249.10149	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.3
71.04877	0.5
71.57733	0.6
83.19838	0.3
86.53914	0.3
87.23843	0.3
125.57374	0.3
135.23489	0.3
143.04901	0.5
143.94226	0.3
169.06480	1.5
180.05724	2.3
181.06511	9.6
182.06860	0.9
183.04451	4.5
183.05997	0.6
197.05994	4.0
198.06779	3.9
209.06041	1.3
225.05524	100.0
226.06091	18.4
227.06638	0.9
241.08673	97.1
241.18094	1.0
241.21690	1.3
242.09009	10.0
242.17729	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03836	4.7
67.01753	1.0
67.36683	0.2
69.53614	1.2
69.54036	0.8
73.39378	0.2
76.36263	0.2
80.02545	0.5
91.01770	9.5
92.02128	0.4
104.10973	0.3
107.01310	0.4
108.02049	2.7
109.02840	19.1
110.03148	0.8
121.02859	0.5
122.03628	19.7
123.03958	1.1
135.00777	8.6
135.87355	0.3
136.01561	0.8
139.11153	0.4
149.02341	1.9
150.03133	22.8
151.03439	0.8
153.01843	4.9
154.02171	0.4
155.08524	0.5
157.06444	0.4
179.08499	0.3
179.14551	0.3
181.06427	0.3
195.08107	0.5
197.09674	2.7
199.07562	0.4
213.14914	0.5
223.07666	1.3
223.13449	0.3
239.86336	0.2
241.08673	100.0
242.08983	10.1
242.17564	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1079
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
57.03324	13.4
59.01252	100.0
60.01595	1.6
67.05398	1.3
69.03357	0.6
69.26086	2.3
69.26511	4.1
70.52552	0.5
71.04908	1.5
72.55492	0.6
73.02824	0.7
83.04901	1.4
97.06460	1.1
99.04405	2.5
109.06467	0.7
116.38826	0.5
119.08525	3.8
120.53220	0.5
123.08025	2.0
135.08090	0.9
135.11674	0.9
137.09625	10.6
148.44757	0.5
149.09616	3.8
151.11182	2.2
153.12781	2.0
154.82625	0.6
161.09608	1.2
163.07547	2.2
165.12816	1.0
167.14349	1.0
177.12793	1.6
179.10695	4.7
181.08641	15.1
181.12260	0.9
181.68024	0.6
182.08978	1.1
195.13847	21.6
196.14191	1.8
197.11789	28.7
197.15524	1.4
198.12146	2.8
223.09654	1.4
224.15659	0.5
241.10861	7.8
241.14423	51.0
241.21585	1.2
242.14822	3.7
264.05176	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.5
69.48792	3.4
72.49004	0.5
94.10355	0.4
125.02325	0.4
125.80238	0.4
143.04915	0.4
146.03297	0.5
169.06476	0.9
180.05716	1.6
181.06514	6.6
182.06871	0.8
183.04420	3.3
185.39308	0.4
197.06026	6.7
197.11775	0.5
198.06784	11.0
199.07181	1.2
209.06084	0.9
213.96548	0.5
225.05515	71.3
226.06255	32.6
227.06642	2.7
241.08659	100.0
242.08983	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	241.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03284	0.3
59.01224	0.9
59.70241	0.3
69.92165	1.3
73.02794	1.3
114.93231	0.3
143.04909	0.5
157.06433	0.3
167.04898	0.3
169.06458	1.6
174.31799	0.3
180.05688	1.4
181.06505	8.8
181.08110	0.5
182.06793	0.6
183.04436	3.8
184.04938	0.4
196.05356	0.3
197.06015	4.2
197.11736	1.5
198.06744	2.9
208.05208	0.3
209.06010	1.0
215.03412	0.3
225.05510	94.1
226.06129	17.1
227.06665	0.5
241.08656	100.0
241.21678	0.8
242.08980	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	241.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98873	3.4
57.03332	3.7
59.01255	71.3
71.01263	9.0
71.59652	5.7
72.99177	15.0
81.03343	3.7
85.03345	3.4
88.03929	36.6
91.05415	5.5
93.03345	14.4
107.04910	7.8
108.02079	4.6
109.02840	13.1
109.06535	4.6
115.00269	3.9
119.04922	100.0
120.05333	3.8
125.02345	3.8
125.05927	4.2
132.02957	18.9
135.04433	10.2
137.05980	18.6
163.03926	15.7
176.69099	4.1
181.05013	35.1
192.73354	3.4
199.06091	43.4
204.89124	3.9
213.05440	4.5
218.56366	3.3
241.07158	5.6
241.14377	24.7
241.21716	12.9
242.10440	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	241.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46835	0.3
54.54668	0.3
69.27544	1.8
69.27980	1.8
79.27843	0.4
83.70242	0.4
84.59873	0.3
94.09935	0.3
98.20498	0.7
143.04866	0.4
157.06487	0.4
169.06503	1.3
169.72018	0.3
180.05771	1.5
181.05272	0.3
181.06511	8.5
182.06839	1.1
183.04446	3.9
197.06012	6.0
197.11902	0.4
198.06738	3.2
209.05998	1.0
218.88112	0.4
225.05530	92.0
226.06107	19.0
227.06683	1.1
241.08675	100.0
242.09009	10.2
244.60988	0.3
259.88614	0.3
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	5OH-HIP
Peak:m/z	Relative Intensity
57.03333	0.6
59.01253	4.2
69.40102	0.4
71.36722	0.8
83.04900	0.8
85.02814	0.7
86.25655	0.4
87.00834	0.4
101.14473	0.4
106.97993	0.4
158.77823	0.4
177.12787	3.9
179.05513	0.5
195.13840	100.0
196.14180	8.0
197.78574	0.4
203.10909	0.6
221.11745	0.9
221.15874	0.4
223.02763	2.1
225.51624	0.4
239.12862	7.9
240.13277	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2013
Annotation	10Z-pentadecenoic acid
Peak:m/z	Relative Intensity
50.25882	0.6
50.47004	0.5
51.67126	0.5
56.23749	0.6
59.01257	3.7
64.44665	0.6
68.24374	0.5
71.21220	1.6
75.66949	0.5
116.90192	0.5
123.02881	0.5
131.97403	0.6
151.58734	0.6
209.57463	0.6
221.18964	0.8
223.02768	1.1
239.20131	100.0
240.20465	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	239.2013
Annotation	10Z-pentadecenoic acid
Peak:m/z	Relative Intensity
52.38943	0.5
59.01247	6.5
70.05305	0.7
70.05582	2.8
71.01260	1.0
74.32192	0.5
91.46703	0.5
221.19073	1.2
223.02802	1.8
239.20122	100.0
240.20465	9.9
241.57425	0.6
247.33171	0.5
259.68747	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98873	3.4
57.03332	3.7
59.01255	71.3
71.01263	9.0
71.59652	5.7
72.99177	15.0
81.03343	3.7
85.03345	3.4
88.03929	36.6
91.05415	5.5
93.03345	14.4
107.04910	7.8
108.02079	4.6
109.02840	13.1
109.06535	4.6
115.00269	3.9
119.04922	100.0
120.05333	3.8
125.02345	3.8
125.05927	4.2
132.02957	18.9
135.04433	10.2
137.05980	18.6
163.03926	15.7
176.69099	4.1
181.05013	35.1
192.73354	3.4
199.06091	43.4
204.89124	3.9
213.05440	4.5
218.56366	3.3
241.07158	5.6
241.14377	24.7
241.21716	12.9
242.10440	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	237.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03368	3.3
57.56840	0.6
57.70246	0.7
59.01298	2.5
61.92252	0.6
65.00229	1.4
65.01350	1.0
65.76788	0.6
65.84647	0.7
68.99722	1.1
69.72282	4.4
71.01284	1.8
83.01321	3.2
93.03384	0.9
96.95912	0.8
98.19794	1.3
101.02358	1.8
107.04972	0.9
108.02074	1.0
111.04460	2.0
112.71617	0.7
118.02918	0.8
119.01280	3.4
121.02889	1.3
121.81689	0.7
125.02342	30.0
126.02745	1.3
147.00793	15.5
147.01877	1.4
149.02417	1.7
151.03966	3.0
164.01149	1.3
165.01843	1.4
165.52632	0.7
172.06262	1.1
176.64323	0.6
179.03418	40.4
180.03735	1.8
193.08685	1.1
193.12389	0.9
195.34479	0.7
207.02931	100.0
208.03255	6.3
210.07837	1.0
221.04472	2.1
222.05284	89.5
223.05644	5.9
237.07617	29.9
237.11336	1.8
237.14861	1.9
238.07945	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	237.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16953	2.2
55.01752	10.3
57.03319	10.4
58.00452	2.5
59.01256	65.0
60.41611	2.5
67.42477	2.5
71.01256	100.0
71.57740	4.1
72.99186	8.3
73.02827	40.2
75.00757	12.5
83.01265	25.2
84.02047	2.8
85.02825	83.6
87.00761	12.5
87.61865	2.3
89.02312	17.3
95.01262	5.6
99.00758	16.9
101.02324	95.8
111.00766	7.3
113.02343	38.1
119.03412	4.3
122.35188	2.3
125.02289	2.8
129.01804	5.5
132.89008	2.2
136.07513	2.4
138.05484	3.6
143.03406	5.8
144.48982	2.7
159.02890	7.9
161.04462	31.7
179.23601	2.5
194.08139	7.3
205.03571	3.1
237.06136	4.8
237.09763	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	237.1492
Annotation	Oxyphyllenodiol B
Peak:m/z	Relative Intensity
57.03322	37.7
58.03664	0.7
59.01253	3.3
66.38761	0.5
67.05399	0.5
69.03340	0.8
69.34540	4.3
71.01250	4.3
71.04878	0.9
72.02039	2.6
72.99815	0.4
74.32067	0.4
75.71313	0.4
80.02531	0.6
81.03331	3.5
81.06974	1.4
83.01267	1.2
83.04897	11.0
83.25599	0.5
85.02818	1.2
85.06460	1.3
87.00777	0.5
87.04388	63.2
88.04746	1.4
89.05952	1.4
91.09396	0.4
93.03323	1.0
95.04901	7.2
97.02821	2.2
97.06461	7.4
97.86446	0.4
98.03632	2.1
99.04411	0.7
99.24831	0.4
101.02324	0.6
106.04047	0.5
107.04928	0.8
107.08540	1.0
108.02094	0.7
109.02840	0.5
109.06460	2.3
111.04409	4.1
113.05983	3.5
118.69765	0.4
120.05698	0.4
121.02842	3.1
121.06472	3.2
122.03603	1.3
123.04412	1.4
123.08085	2.8
125.02334	6.2
131.08603	0.9
133.06491	5.1
134.06859	0.5
135.08054	1.3
137.02345	3.2
137.09615	19.0
138.03142	0.5
138.09962	1.4
139.03870	0.8
139.07509	1.0
147.08101	0.6
149.09621	100.0
150.06757	1.8
150.09961	7.0
151.07559	1.3
151.11218	0.9
153.05437	1.0
153.09117	9.9
154.09503	0.8
161.09647	0.7
163.11211	1.4
165.09125	5.7
165.12764	7.5
166.09459	0.5
166.13120	0.5
167.03395	5.2
169.08557	0.7
175.07541	1.0
175.11151	1.4
177.12788	1.1
178.06281	3.2
179.10751	1.1
183.02962	2.3
191.07111	0.8
193.08672	3.6
193.12332	1.1
195.06638	0.6
195.13835	3.3
196.14189	0.5
201.12752	0.7
204.11563	0.7
209.08031	0.8
219.06911	0.4
219.13774	3.4
237.05223	0.8
237.07635	19.8
237.11343	2.7
237.14915	30.0
238.07933	1.8
238.15211	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	237.1494
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
53.11148	2.0
53.16867	2.1
58.06500	2.6
59.01252	76.3
62.35684	2.2
66.03368	2.1
69.03323	30.2
69.80624	2.3
71.01256	6.1
71.16038	4.1
85.02824	4.1
88.78425	2.3
96.95899	2.1
97.05866	4.7
97.06470	64.0
97.68087	2.2
99.00825	2.4
101.02300	3.4
108.05712	2.2
121.10136	8.8
123.00791	7.7
123.08058	69.5
139.07573	10.1
145.78256	2.2
147.11720	13.7
167.07034	7.6
168.83208	2.4
175.14871	11.5
178.24147	2.1
179.10654	8.0
193.15923	4.6
198.04231	2.1
201.08920	2.4
207.02887	2.4
219.13899	10.8
237.11325	4.7
237.14934	100.0
238.15265	7.7
248.62830	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	239.0595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78575	0.2
59.01241	0.9
59.96587	0.6
62.92830	0.2
70.36326	0.8
74.98947	10.3
75.96085	0.5
75.98892	0.2
80.42765	0.2
85.02803	0.6
91.02087	10.9
93.00008	8.8
93.99963	0.2
98.19959	0.3
98.68935	0.2
109.79172	0.2
127.85463	0.2
149.00861	6.4
150.98807	0.4
161.72989	0.2
167.12294	0.2
179.05614	0.3
206.97855	0.3
206.99672	3.5
207.99562	0.3
223.02795	100.0
224.02823	12.5
239.05772	0.3
239.12885	0.8
241.03838	2.7
242.03862	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0712
Annotation	Chrysarobin
Peak:m/z	Relative Intensity
57.03318	0.8
59.01241	3.5
65.03822	0.6
65.95664	0.6
71.57542	0.7
91.01765	29.6
92.02116	1.5
108.02062	1.1
109.02840	3.0
121.02763	0.6
132.81642	0.6
135.00777	16.7
136.01106	0.6
141.06955	0.7
148.01553	3.3
151.91237	0.5
153.01839	12.6
153.03079	0.8
154.02176	0.9
167.08626	0.7
168.02814	0.5
169.06480	2.1
179.05540	1.4
180.00557	0.5
193.06487	0.7
195.08066	1.8
195.13901	1.0
197.06015	47.0
198.06340	3.4
211.07532	0.6
223.02798	3.6
239.07101	100.0
240.07423	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	239.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39586	0.3
57.03318	0.7
57.70829	0.3
59.01249	2.7
65.00211	0.6
65.03833	0.5
70.00265	1.7
73.48077	0.2
76.74319	0.3
79.68906	0.3
87.00756	0.3
91.01765	34.5
92.02100	1.3
95.01288	0.4
96.95898	0.3
98.20258	0.8
108.02069	0.8
109.02842	2.4
109.06534	0.3
117.70527	0.3
118.50615	0.3
135.00774	18.9
136.01111	0.7
141.07007	0.6
143.04906	0.6
148.01579	3.3
153.01837	16.1
154.02187	0.9
155.05074	0.3
167.08528	1.0
169.06450	2.5
179.05507	1.0
180.00587	0.8
193.06546	0.5
195.08099	1.9
195.13809	3.8
197.06007	46.8
198.06314	3.9
221.06059	0.4
223.02818	2.1
224.02917	0.3
239.07095	100.0
240.07434	10.4
241.04028	0.3
255.55913	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0923
Annotation	CMPF
Peak:m/z	Relative Intensity
52.18081	1.0
59.01254	100.0
60.01564	1.1
62.12975	0.9
104.18387	0.9
121.02859	12.3
136.05182	1.2
137.05869	1.1
137.09569	1.1
162.06779	9.5
164.04723	6.5
177.09157	2.9
179.07065	85.5
180.07442	6.8
220.26782	1.0
239.09232	22.8
239.12895	2.1
240.09421	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1074
Annotation	Didehydroconicol
Peak:m/z	Relative Intensity
57.03332	0.3
59.01254	1.7
70.15367	0.2
70.44749	0.2
70.70699	0.7
73.53100	0.2
87.00748	0.2
89.03799	0.2
95.04919	1.0
97.45593	0.2
101.05966	0.2
105.03347	0.3
121.02831	0.2
123.04407	5.2
133.02852	100.0
134.03180	5.1
149.00888	0.2
154.06207	0.2
161.04489	0.2
167.14410	0.2
179.05540	0.6
195.13788	0.9
209.05969	1.0
215.35117	0.2
223.02808	2.2
223.07594	2.2
224.02963	0.3
224.08340	2.9
239.10750	39.7
240.11064	4.6
256.07370	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51377	0.4
59.01234	1.3
62.27326	0.5
68.88676	0.5
70.87789	1.2
95.04910	1.2
101.05965	8.9
109.06481	5.8
111.08054	5.9
112.22951	0.5
113.74503	0.5
117.46364	0.5
122.03585	0.9
125.09607	1.5
138.06793	0.7
139.03912	18.4
139.07635	0.6
140.04245	0.6
151.11188	1.2
154.06261	36.8
155.06621	1.7
165.12622	0.7
167.14339	12.0
168.14639	1.0
179.10684	6.7
182.05782	3.5
195.13840	100.0
196.14165	8.4
203.55893	0.5
215.59093	0.6
223.02859	1.0
239.12790	4.6
239.16563	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0612
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
55.01757	1.0
57.03333	3.9
58.99441	0.6
59.01260	3.4
63.55309	0.6
71.01254	4.4
71.04903	1.7
72.99175	1.9
73.02823	1.9
74.02341	1.1
75.00734	3.9
78.95795	0.8
80.06788	0.7
83.01241	4.5
85.02824	20.2
86.03157	0.7
87.00749	100.0
88.01078	1.9
88.03939	0.7
89.02328	1.0
93.56493	0.6
99.00767	1.3
101.02314	3.3
103.49243	0.6
105.00044	1.9
105.03658	1.2
111.00758	1.5
113.02340	1.4
125.02339	1.9
129.01840	11.4
143.03392	1.4
149.02650	1.4
161.04410	1.7
205.03484	1.9
207.84174	0.7
208.05542	0.6
237.03967	1.0
237.06076	2.7
237.14847	0.7
242.20396	0.6
245.55603	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.7
59.01250	2.7
67.42159	0.8
69.25797	6.7
69.26210	2.5
71.01262	1.9
72.99179	1.3
73.42938	0.9
75.00756	3.4
75.61140	0.7
78.95781	1.9
85.02824	3.2
87.00753	100.0
88.01077	1.7
89.02331	1.0
92.95831	0.8
101.02338	1.3
111.00811	1.1
114.91956	0.8
129.01825	12.0
182.20050	0.9
237.06171	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	237.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.4
57.03316	1.7
59.01259	0.8
65.00201	0.7
67.01765	0.7
69.03332	3.7
71.01256	0.7
71.04885	1.5
79.01779	1.1
79.05394	0.6
80.02554	2.2
81.03334	14.7
83.01256	9.5
84.02030	0.9
84.35060	0.5
85.06470	5.5
87.04392	7.0
89.05967	4.7
93.03353	1.2
95.01271	1.1
95.04902	38.3
96.05247	1.9
97.02832	10.3
98.20525	1.8
99.04402	3.9
105.06997	1.0
107.01285	1.0
107.04901	0.6
108.02068	2.3
109.02827	1.2
109.06476	9.9
111.04401	25.3
112.04720	1.1
113.05992	0.7
121.02838	8.1
121.06512	1.1
121.10108	1.3
122.03645	4.7
123.00759	1.7
123.04417	8.4
123.08086	2.5
124.01590	0.9
125.02338	42.4
126.02689	1.5
127.07574	3.4
135.04398	1.0
137.02357	3.1
137.09634	0.7
138.03163	1.0
139.03920	2.0
144.29709	0.5
147.08060	2.2
149.02341	2.1
149.05994	2.2
149.09666	0.8
150.05603	0.7
150.06770	10.8
151.00362	0.7
151.07579	7.7
152.07838	0.8
153.05449	5.0
154.05804	0.5
160.05307	0.5
163.07588	1.5
165.01826	0.5
165.09131	31.9
166.02666	0.8
166.09444	2.1
166.94826	0.5
167.03416	30.0
167.07053	3.3
168.03780	1.8
169.08620	5.0
175.07614	1.4
177.05505	0.6
178.06290	4.4
191.07054	4.2
193.04984	1.1
193.08630	9.4
194.05733	0.6
194.08955	0.6
195.06517	1.5
209.08145	4.6
210.08315	0.5
219.06560	1.9
229.50728	0.5
237.07648	100.0
238.07993	7.8
255.11012	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33812	0.6
59.01247	2.4
62.66018	0.5
62.72902	0.6
63.96113	100.0
71.01287	0.8
78.95774	0.8
79.95608	26.7
81.19306	0.6
98.19804	2.1
115.27113	0.7
116.05283	35.1
117.05648	1.2
126.12812	2.3
131.01599	0.6
134.05571	0.6
136.52499	0.6
153.59991	0.6
170.11775	0.7
172.13368	3.6
188.11082	19.0
189.11415	1.6
192.06448	0.8
209.11815	0.9
215.62183	0.7
229.29903	0.8
236.09592	16.7
237.09824	1.0
237.14981	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77710	0.2
59.01250	0.5
68.10595	0.2
70.62105	0.8
134.03641	0.7
135.04399	0.7
136.05215	0.8
148.05205	11.8
149.05696	0.5
149.09644	1.8
162.06717	0.6
175.07480	0.6
176.08379	1.3
177.09137	50.6
178.09485	3.9
190.09917	2.1
191.10698	0.9
192.11493	36.9
193.11873	3.7
201.09113	0.8
203.07074	1.0
217.08667	3.9
218.09438	10.3
218.11598	0.5
219.09804	1.0
221.08000	0.3
234.81789	0.3
236.10509	100.0
237.10873	9.9
237.14793	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10683	0.9
57.03320	2.2
70.30881	2.4
70.31277	1.7
71.01251	22.7
81.06965	1.1
83.04922	1.6
87.00745	1.8
87.04381	3.1
90.09331	1.2
93.03310	1.0
98.19826	1.2
108.52409	0.9
115.00249	9.7
121.02842	100.0
122.03168	5.6
123.08041	1.2
135.04381	2.2
137.09541	1.7
147.04489	1.6
156.43887	1.1
160.05338	1.2
163.03831	1.5
164.04668	3.4
165.05481	1.8
222.05251	2.3
237.07628	8.8
237.14909	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	233.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07073	0.2
52.07761	0.2
54.47161	0.2
59.01254	2.8
59.96603	0.6
60.97372	0.4
70.37601	0.2
70.64918	0.5
70.65247	0.3
74.98945	6.5
74.99345	0.4
75.00762	0.5
75.74561	0.2
75.96100	0.4
76.96935	0.2
91.02087	1.3
93.00017	5.2
93.03358	0.6
108.04614	0.2
118.95360	0.2
118.96194	0.8
134.99286	8.5
135.99213	0.4
136.97217	3.4
138.32127	0.2
141.07298	0.4
149.00864	73.8
150.00827	4.5
150.98805	1.4
152.96744	0.4
153.93829	0.2
159.08365	1.9
161.06313	5.1
167.01904	0.6
185.65382	0.2
190.98592	0.3
201.04010	0.4
215.05605	1.5
215.09189	0.3
217.07156	100.0
218.07277	11.3
220.24913	0.2
233.10298	87.8
233.15312	13.0
234.10448	11.4
234.15736	0.9
235.08223	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1496
Annotation	Huperzine W
Peak:m/z	Relative Intensity
58.36578	0.2
59.01251	1.9
60.01599	0.2
60.45835	0.2
61.15353	0.2
69.46071	1.8
70.38263	0.2
71.01230	0.4
77.25520	0.2
77.61102	0.2
87.31480	0.2
105.89878	0.2
107.68109	0.2
108.47054	0.2
125.82948	0.2
128.39949	0.2
133.23657	0.2
138.04344	0.2
147.11009	0.2
149.04462	0.2
149.05956	0.2
156.52618	0.2
163.00215	0.3
179.07040	0.7
184.00023	0.4
189.12637	0.2
204.10081	0.3
207.13821	0.6
218.11816	2.5
219.12511	0.3
234.14957	100.0
235.15295	10.6
240.20441	0.2
251.11604	3.5
252.11917	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1338
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
55.52200	0.4
59.01254	100.0
60.01580	0.9
65.03812	0.5
70.09409	2.5
71.01265	2.8
71.57033	0.6
73.02829	0.6
78.98772	0.5
79.95621	0.6
80.02581	0.5
81.03336	1.8
83.04877	0.5
85.02815	1.1
93.03373	0.7
95.04912	1.3
96.62963	0.5
98.19898	0.6
101.02321	1.2
106.04108	0.6
108.02085	0.6
109.02829	0.7
109.06523	0.6
112.16241	0.5
113.02415	0.5
123.08063	0.9
130.32578	0.5
130.76898	0.5
133.06499	0.5
135.04385	0.5
147.08015	0.6
148.05185	1.0
149.09618	1.3
162.07156	0.5
163.11205	30.3
164.11574	2.6
175.11252	1.1
177.09134	0.5
189.12811	1.1
191.07054	1.7
191.10707	0.7
191.14359	13.2
192.14711	0.9
207.13905	0.7
217.12321	3.1
235.06087	0.9
235.09735	0.9
235.13382	30.7
235.15874	1.4
236.13683	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	233.0816
Annotation	Coumarsabin
Peak:m/z	Relative Intensity
51.66537	0.3
55.25662	0.2
57.84941	0.2
59.01251	4.6
63.02265	1.7
65.00206	0.4
70.65444	0.7
70.65804	0.4
75.00752	0.5
89.00219	0.3
93.03329	0.7
94.28351	0.3
107.01252	0.3
123.08029	0.4
125.05913	0.3
130.96602	0.2
141.55887	0.2
149.02431	0.3
153.64189	0.2
158.44904	0.3
158.48521	0.2
159.04515	0.4
160.05176	0.4
161.02342	1.1
165.09111	0.3
173.04459	0.4
173.30739	0.2
175.03978	0.6
176.01077	0.6
176.04468	0.3
189.09135	0.7
197.65414	0.2
203.03439	35.4
204.04196	32.6
205.04686	2.7
218.05812	1.9
233.08157	100.0
233.15417	18.9
234.08481	9.4
234.10886	0.4
234.15723	1.8
242.88605	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86196	0.2
59.01250	1.0
59.07811	0.2
63.02275	1.4
63.02554	0.3
65.00191	0.5
68.02768	0.2
93.03324	0.3
97.01158	0.2
107.01261	0.5
123.08054	0.4
125.05994	0.4
142.43274	0.2
149.02318	0.4
159.04437	0.3
160.05197	0.3
161.02354	1.1
161.09717	0.2
163.37375	0.2
175.03882	0.5
176.01010	0.7
187.79448	0.2
189.09117	0.4
203.03438	37.8
204.04201	31.3
204.05739	0.3
205.04613	2.7
206.95271	0.2
217.83911	0.2
218.05847	1.9
219.06201	0.3
224.82394	0.2
229.65744	0.2
233.08156	100.0
233.15430	8.1
234.08484	9.6
234.12012	0.2
234.15710	0.9
236.03278	0.3
250.90405	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	1.6
65.01308	0.4
70.02857	1.7
71.01256	11.6
71.05105	0.4
71.59610	0.7
87.87354	0.4
88.03918	100.0
89.04257	1.5
96.99198	5.3
112.00227	0.5
114.01856	6.7
114.09137	64.2
114.99601	0.3
115.00259	18.9
115.07542	27.3
115.09410	2.3
116.07903	1.4
132.02911	5.0
140.10709	1.8
142.12270	0.6
145.02867	0.7
158.08168	0.5
159.04411	0.8
168.10199	3.6
172.05133	0.5
174.03183	0.4
174.61916	0.3
186.11284	19.5
187.03946	0.8
187.07542	1.4
187.11659	1.1
188.04692	1.1
188.86700	0.4
202.06296	0.5
203.05609	0.5
212.09180	3.7
213.09277	0.8
215.03435	0.7
230.10298	31.0
230.15068	0.9
231.06674	0.7
231.10475	2.9
248.56508	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	6.1
64.72046	0.7
69.88972	5.2
71.01245	3.7
72.00761	4.1
72.04421	2.9
73.02811	2.2
82.02859	50.1
83.01246	2.3
83.03210	1.0
87.67442	0.9
99.00762	8.3
100.03919	2.8
102.80191	0.8
114.09152	2.2
116.03393	1.0
121.83753	0.8
124.88006	0.8
138.09096	1.0
140.10716	7.5
141.10237	55.8
142.08630	2.9
142.10590	2.4
142.12305	3.5
142.49094	1.0
144.02902	7.4
144.94160	0.9
167.11830	9.7
168.10214	100.0
169.10544	7.0
169.13365	6.8
185.12881	75.5
185.14584	1.2
186.13206	4.4
195.11325	9.4
196.09749	1.4
207.73668	0.9
213.12399	75.8
214.12770	4.6
231.13470	38.1
232.09772	2.5
232.13931	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	233.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12144	0.2
59.01252	3.5
63.02262	0.9
64.99876	0.2
65.00199	0.6
69.65834	1.6
84.00552	0.2
89.00204	0.2
93.03327	0.8
107.01266	0.4
113.34489	0.2
123.08021	0.5
125.05969	0.3
147.08055	0.3
149.45273	0.2
159.04411	0.4
160.05222	0.3
161.02324	1.1
173.04491	0.8
175.03912	0.5
176.01076	0.6
189.01938	0.5
189.09125	0.6
191.07088	0.2
193.25961	0.2
203.03435	31.5
204.04202	27.4
205.04684	2.4
218.02179	0.2
218.05786	1.4
233.08160	100.0
233.15425	21.3
234.08499	8.8
234.10861	0.4
234.15807	1.9
236.03177	0.6
242.78052	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79689	1.4
59.01244	8.8
66.03354	1.7
71.20659	1.4
71.58882	3.0
84.71176	1.3
85.02785	1.3
96.54453	1.4
108.96743	1.4
133.96387	1.4
185.06038	1.6
202.07164	1.3
229.14453	5.2
229.19597	100.0
230.15372	2.5
230.19955	12.0
234.71468	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.103
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02843	1.0
59.01257	3.3
65.01285	0.7
66.03352	0.8
69.34177	6.1
70.02844	2.1
71.01250	12.4
72.01562	0.6
85.97654	0.6
88.03913	100.0
89.04250	2.0
96.99183	5.7
114.01863	7.6
114.09135	77.5
115.00258	22.6
115.07538	32.5
115.08171	0.6
115.09418	3.0
116.00623	0.7
116.07881	1.8
121.76254	0.6
132.02930	3.9
140.10738	0.8
142.12239	0.6
143.05092	0.7
144.05289	1.2
159.04335	0.6
168.10211	4.6
171.10231	0.7
172.03915	0.9
173.05928	0.9
186.06313	0.6
186.11279	26.7
187.03903	0.7
187.07603	2.5
187.11621	2.4
189.11266	2.1
201.05457	0.9
202.06345	1.3
212.09219	4.9
213.09465	0.7
230.10306	36.2
230.15172	1.1
231.08153	0.8
231.10330	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	229.1441
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03328	0.8
71.01252	0.4
77.13591	0.4
83.02344	0.5
87.00772	0.5
94.70807	0.4
116.92725	0.5
119.80542	0.4
123.56655	0.4
129.05470	1.2
139.11214	0.6
156.16588	0.4
165.12769	0.9
167.14322	32.1
168.14691	2.6
185.15367	1.2
197.82985	0.4
211.13330	17.7
212.13715	1.3
229.14409	100.0
230.14754	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	229.1441
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
53.64245	0.3
57.03332	1.8
66.03355	0.4
69.66254	0.6
69.66654	1.6
71.04887	0.5
72.18601	0.2
73.82208	0.3
76.14501	0.3
81.03345	0.3
83.04902	0.7
84.02025	0.3
85.02818	0.8
97.06465	0.6
98.19795	0.5
104.39211	0.3
104.98252	0.3
125.09624	2.8
127.11170	5.1
127.12114	0.4
131.60817	0.3
149.55721	0.3
155.14345	2.2
165.12775	1.1
167.14357	1.6
171.10175	4.5
183.13838	1.0
185.11768	1.0
193.12300	0.4
209.11729	3.2
210.12036	0.3
211.13370	8.9
212.13681	0.7
229.14410	100.0
230.14758	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	228.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90224	0.6
59.01242	1.1
69.82779	3.9
70.02859	1.2
71.01260	7.5
72.99191	3.9
88.03917	100.0
89.04221	1.6
91.09038	0.7
96.99197	1.7
98.20589	0.7
112.07560	2.8
113.05973	9.8
114.01875	7.1
115.00262	16.6
120.53250	0.7
132.02925	55.0
133.03244	2.1
134.05286	0.7
184.09726	3.1
210.07654	0.8
228.08716	13.9
229.08986	1.0
229.14362	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.9
59.45602	0.3
70.02855	1.4
71.01257	8.0
71.39628	0.4
73.32721	0.4
88.03918	100.0
89.04250	2.1
96.99195	2.1
102.27998	0.4
112.07570	2.5
113.05968	7.4
114.01862	6.8
115.00260	12.5
132.02927	53.6
133.03261	1.2
161.81161	0.4
166.08728	0.6
184.09692	2.9
210.07625	0.9
228.06476	0.7
228.08736	13.5
228.20502	0.5
229.09029	1.1
237.53265	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1601
Annotation	N-decanoylglycine
Peak:m/z	Relative Intensity
52.08166	0.7
59.01249	1.9
61.94595	0.8
65.00176	1.0
65.01310	1.3
65.99706	0.8
66.12957	0.8
71.01258	0.9
71.13633	2.0
77.46023	0.8
93.31481	0.9
99.92443	1.2
107.01265	1.7
121.02837	0.9
122.03457	1.0
132.05641	0.9
145.02818	2.2
147.04408	7.2
151.00237	2.3
159.06648	1.3
165.12715	0.9
167.14326	32.1
168.14705	2.3
184.17033	2.9
185.05989	1.1
187.06163	1.0
195.19897	0.9
200.13667	3.4
201.07787	1.3
210.14880	8.0
211.13344	16.3
211.15169	1.2
212.13618	2.0
228.07167	1.4
228.13341	5.5
228.15996	100.0
229.05058	7.9
229.14401	46.7
229.16373	7.1
230.14713	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	227.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96099	0.2
57.03327	0.4
59.01250	0.3
69.47312	0.4
69.47639	2.0
71.04892	0.6
80.02544	2.6
81.03313	2.0
83.01257	0.3
83.04903	7.0
84.02036	3.9
84.05219	0.3
95.04900	1.1
95.63612	0.2
97.06469	0.4
98.19698	0.3
101.70787	0.2
107.04916	0.2
109.06477	0.6
111.08025	0.2
125.05952	1.0
125.09646	0.4
127.11183	0.3
135.08066	1.5
147.11775	0.3
149.09698	0.2
151.64725	0.2
153.12808	0.3
163.11206	6.5
163.12497	0.5
164.11525	0.4
165.12766	4.4
179.19270	0.2
181.12268	1.1
183.13840	0.4
191.10695	1.8
193.47591	0.2
199.13295	0.8
209.11778	100.0
210.12109	9.2
227.12842	3.8
227.20174	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65395	0.5
57.03319	1.6
59.01249	0.8
62.68697	0.5
71.04897	1.1
71.38553	0.9
81.03327	0.7
82.41305	0.6
83.04896	2.1
84.02059	1.1
92.84202	0.5
111.08042	2.1
117.23953	0.5
126.98003	0.5
139.11240	0.7
163.11195	1.5
165.12766	18.1
166.13167	1.3
183.13832	100.0
184.14162	7.6
191.10773	0.9
199.13365	1.7
201.30022	0.5
209.11783	20.0
210.12123	2.0
222.46005	0.5
227.03564	0.8
227.07040	0.9
227.12848	17.0
227.16481	2.3
227.20123	7.8
228.13245	1.8
228.20410	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1649
Annotation	13-Hydroxy-2-tridecenoic acid
Peak:m/z	Relative Intensity
59.01236	0.6
70.87704	0.9
71.44218	0.4
72.75325	0.5
83.04906	1.0
121.10152	0.4
139.11250	0.5
165.12708	2.3
183.13853	8.3
184.14171	1.0
197.15407	13.9
198.15758	0.9
199.13329	0.6
209.11812	8.0
209.15410	15.9
209.17448	0.8
210.12198	0.6
210.15775	1.1
225.14989	1.1
227.12828	4.1
227.16479	100.0
227.20149	5.0
228.13367	0.5
228.16830	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	225.1129
Annotation	Chloriolide
Peak:m/z	Relative Intensity
57.03323	0.6
59.01264	2.8
65.01308	0.6
69.03310	0.4
71.04899	0.9
71.36742	0.5
71.37102	0.8
81.03344	0.8
83.04925	1.0
84.29817	0.5
93.03363	1.1
97.02832	13.4
97.06482	0.5
98.20250	0.7
99.00763	3.8
101.73790	0.4
106.04035	0.6
109.02865	0.6
109.06474	4.3
110.03625	4.7
111.04429	0.6
123.04413	1.2
125.09618	1.3
135.08064	1.9
135.14293	0.4
136.05200	2.0
137.02353	0.6
142.02625	6.8
145.10123	0.7
153.12756	0.8
156.05637	0.5
161.09732	1.1
163.11214	14.1
164.11551	1.0
165.01878	0.5
172.24117	0.4
179.10757	0.6
180.04256	0.4
181.12280	32.1
182.12602	1.9
185.07066	0.4
187.37511	0.5
188.78288	0.4
189.09239	0.5
195.02910	0.9
197.11787	1.8
207.10213	82.9
208.10559	6.2
210.05280	0.7
225.11281	100.0
226.11627	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	225.1492
Annotation	Tanarifuranonol
Peak:m/z	Relative Intensity
59.01251	100.0
60.01591	1.9
60.41329	0.2
60.99177	0.3
61.27621	0.2
69.25515	1.4
69.25947	1.2
81.48711	0.2
93.03348	0.2
94.99558	0.2
98.19736	0.5
99.00732	0.2
106.07895	0.2
109.06522	0.3
125.05958	0.3
130.56348	0.2
135.45827	0.2
141.01825	0.4
142.04021	0.2
162.70891	0.2
163.07564	0.2
165.01883	0.3
179.07033	0.8
180.05713	0.3
181.06447	0.4
183.04309	0.3
183.06604	0.4
194.34995	0.2
195.02910	0.2
195.06461	0.2
207.06601	1.1
225.05499	1.6
225.07619	2.5
225.11337	0.4
225.14911	12.4
226.15291	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1492
Annotation	Annuionone E
Peak:m/z	Relative Intensity
55.36760	0.5
57.03304	0.6
59.01256	2.5
63.74424	0.5
69.94698	1.8
69.95109	1.0
83.04896	0.7
91.07135	0.5
140.37759	0.5
163.14827	1.4
169.12306	0.7
177.12764	0.5
179.14348	0.7
181.12250	1.4
181.15863	1.7
195.13853	8.7
196.14153	1.0
197.15379	5.8
207.10205	0.9
207.13849	25.3
208.14227	2.2
225.14917	100.0
226.15254	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	227.1286
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
52.09399	0.4
57.03317	0.4
66.52803	0.4
67.76517	0.4
69.41385	3.5
70.31474	0.4
70.45897	0.4
71.04877	0.8
73.07277	0.4
80.02563	1.8
81.03316	1.9
83.01267	0.5
83.04900	8.3
84.02055	3.8
95.04905	1.1
125.05978	0.9
131.49785	0.4
135.08061	0.6
163.11208	6.2
164.11520	0.6
165.12756	4.3
172.89920	0.3
181.12312	1.1
183.13744	0.4
191.10686	1.8
199.13512	0.4
209.11780	100.0
210.12115	9.8
227.12849	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	227.1285
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
54.05954	0.3
57.03336	0.5
58.31137	0.4
67.25433	0.4
69.25511	0.5
69.25834	4.4
75.00764	0.4
83.04939	0.5
85.29457	0.4
109.51153	0.4
109.72401	0.4
111.08054	1.0
122.31519	0.4
124.61475	0.3
136.07106	0.4
139.11194	0.4
155.51031	0.4
165.12772	19.4
166.13129	1.3
167.69653	0.4
176.13016	0.5
183.13828	100.0
184.14188	8.4
191.10686	0.4
209.11771	1.8
227.12834	14.6
227.16411	1.0
227.20151	2.2
228.13133	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1335
Annotation	Jhanilactone
Peak:m/z	Relative Intensity
52.57296	0.9
54.84742	0.9
57.03315	1.9
59.01255	7.8
60.50562	0.9
69.03325	11.4
71.01247	0.9
71.04890	1.5
82.22169	0.9
83.04896	1.5
85.06461	1.7
95.04906	2.1
97.06494	1.1
109.06472	1.6
111.08014	1.0
125.09635	1.3
141.09128	0.9
149.09650	1.7
152.44838	1.0
153.09131	1.3
161.13246	1.4
167.10680	12.8
168.10995	1.1
169.39326	0.9
177.12785	1.4
179.10727	5.1
179.14345	12.9
195.13855	33.6
196.14182	3.1
205.12297	27.8
206.12573	3.3
207.08499	0.8
211.95711	0.9
223.02716	0.9
223.13362	100.0
224.13702	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	225.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75202	0.5
57.03300	0.6
59.01252	26.2
70.41222	2.2
70.90217	0.5
73.74135	0.5
78.46021	0.6
85.88661	0.5
87.00729	0.5
93.03334	3.0
98.20463	0.6
109.02853	3.8
121.02850	37.1
122.03709	4.3
123.04404	0.8
125.02381	1.0
137.02380	2.6
137.06001	1.5
139.72064	0.5
143.77397	0.5
145.06467	1.1
154.02649	1.1
161.06061	0.5
163.07565	9.8
164.07942	0.9
165.05487	100.0
166.05823	7.0
181.04936	0.6
194.80405	0.6
210.05342	0.9
225.07628	27.6
225.11136	1.3
226.07971	2.4
243.88541	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1128
Annotation	Chloriolide
Peak:m/z	Relative Intensity
51.13906	0.9
59.01258	5.1
65.00208	1.2
65.25048	1.0
69.03306	1.7
71.58348	1.7
74.92027	0.9
81.03320	1.8
83.04901	1.8
93.03300	5.4
97.02833	13.3
99.00734	1.6
105.86041	1.1
109.06484	16.5
110.03622	3.6
120.98389	1.4
121.06517	1.4
135.08054	1.9
136.05202	3.7
136.98726	1.5
137.02332	3.4
142.02625	7.7
145.10211	1.5
161.09616	1.6
163.11188	16.0
165.01901	2.0
179.10606	1.4
181.12253	16.2
181.15819	1.4
195.02911	2.2
195.06516	1.5
206.99382	1.7
207.10208	80.9
208.10562	7.7
208.97504	1.0
210.05338	2.2
220.53685	1.1
225.00403	2.0
225.02429	1.8
225.07666	2.6
225.11279	100.0
225.14880	4.0
226.11613	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	223.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	2.3
59.01254	3.1
63.02278	0.8
65.00198	3.4
67.01753	0.3
67.02219	0.3
69.03355	0.3
69.37428	2.4
69.37857	0.9
71.01264	1.0
74.98942	0.4
79.11012	0.3
80.02554	0.3
81.03334	20.4
82.03696	1.0
83.01258	3.6
85.02831	2.0
88.21417	0.3
93.03332	0.6
95.01287	0.4
95.04958	0.5
97.06519	0.7
101.02332	0.5
107.01270	3.2
111.00749	0.8
113.09605	1.8
115.07552	1.0
121.02859	0.9
122.03642	4.0
124.01594	0.7
125.02343	7.2
126.02695	0.6
129.01848	0.7
135.04398	0.4
137.02365	0.5
137.09624	8.0
138.09933	0.5
139.07555	14.4
140.07838	0.8
149.00952	0.5
149.02362	0.9
151.00267	3.7
151.03972	0.3
151.07574	0.3
155.10713	0.5
161.02365	0.4
161.09648	0.8
162.03215	1.8
164.04686	0.7
165.01877	0.7
166.02798	0.4
179.10706	55.6
180.11046	4.5
181.08626	0.5
182.29460	0.3
193.01372	2.5
195.06531	0.5
195.13739	0.4
205.03430	0.5
205.08688	2.6
208.03726	2.7
223.02759	2.8
223.09712	100.0
224.10052	7.7
233.62048	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1335
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
54.82698	0.6
57.03315	2.4
59.01258	9.0
59.35662	0.6
61.98684	0.7
63.60188	0.5
65.39964	0.6
69.03335	10.2
69.27530	0.5
71.01253	1.5
71.04901	3.4
71.22415	1.4
72.74648	0.6
74.98918	1.0
77.89134	0.6
83.04897	2.2
85.02831	1.5
85.06463	1.9
93.00042	1.4
93.03309	1.2
95.01264	0.7
95.04928	1.6
97.06506	1.0
109.06478	1.7
116.79189	0.6
118.14001	0.6
118.54037	0.6
121.02847	0.9
125.09616	1.5
133.29974	0.7
135.11678	0.9
137.02376	0.6
141.09109	1.6
141.72774	0.6
149.00902	1.0
149.02321	1.1
149.09653	2.9
151.03882	1.1
153.09117	1.1
161.13298	0.9
163.03903	0.8
165.01871	1.3
166.06258	0.7
167.10698	13.7
168.11043	0.9
177.12758	2.2
179.07201	0.6
179.10736	5.4
179.14339	12.3
179.15833	1.0
187.11229	0.8
193.01385	4.0
195.13847	34.2
196.14261	2.9
205.12283	23.8
206.12640	2.3
206.99638	0.8
208.03737	5.1
223.02779	8.7
223.06110	1.9
223.13362	100.0
224.03004	1.1
224.13690	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	223.1336
Annotation	Jhanilactone
Peak:m/z	Relative Intensity
50.13676	0.9
54.11049	1.1
57.03308	2.1
57.95504	1.1
59.01251	6.5
59.79619	1.1
64.44028	0.9
69.03323	11.8
70.89856	1.9
70.90194	1.9
70.94476	0.9
71.01247	1.7
71.04889	2.8
72.22599	0.9
73.84221	1.0
75.10459	0.9
75.48379	0.9
79.61896	0.9
83.04897	1.9
85.06490	2.7
87.46392	1.0
93.03287	1.7
95.04932	1.3
109.06474	2.0
135.11716	1.7
145.85928	1.2
149.09583	2.2
161.13292	1.4
167.10687	14.2
177.12764	2.9
179.10693	4.2
179.14343	11.5
180.14598	1.6
195.13850	35.5
196.14130	2.5
205.12286	23.9
206.12590	2.9
223.13348	100.0
224.13678	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	223.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68195	0.6
59.01234	1.5
63.02232	0.8
65.00173	1.5
67.01720	1.8
69.57528	1.3
69.57936	3.8
85.02773	2.7
93.03332	17.1
96.87563	0.7
98.19725	0.8
99.25318	0.6
107.01239	0.8
109.02784	2.3
111.00697	1.4
119.04881	0.8
121.02837	26.5
121.90923	0.6
122.03151	0.9
125.02378	0.8
129.01799	1.1
135.04419	12.4
136.01488	1.1
137.01346	0.7
137.02293	2.9
149.02339	61.1
150.02711	3.0
151.03879	2.1
152.01044	19.2
153.01492	0.8
154.78928	0.6
163.03914	19.2
164.04694	35.3
165.01819	13.9
165.04916	1.5
167.03369	3.4
169.04996	10.1
179.03424	1.0
179.07060	16.3
180.04190	1.2
180.07426	0.8
193.01347	69.3
194.01671	4.7
207.02879	0.7
208.03702	100.0
209.04062	8.9
223.02707	2.3
223.06076	43.5
223.13258	1.4
224.06433	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	223.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	4.4
59.01255	61.2
70.45310	7.3
71.01250	7.0
72.99186	13.6
73.02818	2.2
74.78275	1.5
75.00771	2.4
83.01277	2.6
85.02830	19.9
87.00751	1.8
93.03354	3.1
95.01241	3.1
99.00738	2.3
99.04389	4.3
101.02324	3.5
107.04890	5.4
111.00758	8.3
112.15424	1.8
115.73595	1.8
119.04924	100.0
120.05235	4.5
121.02837	6.8
121.06511	1.8
125.02285	2.4
129.01872	9.1
133.06476	2.3
135.04437	10.4
137.05963	2.0
147.02888	2.2
149.02345	8.3
161.06018	3.0
163.03926	35.9
164.04601	4.7
165.01814	3.4
179.07039	3.5
181.04996	30.3
193.01321	8.2
205.03436	7.1
205.06903	3.1
205.12189	2.5
208.03720	14.1
223.02731	9.5
223.04407	4.0
223.06190	3.6
223.07921	3.7
223.09802	2.6
223.13344	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	223.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	2.4
57.57668	1.1
59.01254	55.0
61.12119	1.3
62.05953	1.1
71.01260	2.0
71.58097	1.2
71.58555	2.2
72.99184	11.7
73.99506	1.2
75.00742	3.3
78.71938	1.2
83.02363	1.0
85.02822	15.0
93.03349	2.7
99.04375	1.6
101.02296	3.0
101.03841	1.4
104.17654	1.2
107.04903	5.6
108.05211	1.5
111.00755	6.5
119.04919	100.0
120.05237	7.4
121.02837	4.0
125.02343	1.5
129.01807	3.9
135.04387	9.0
137.05959	2.1
149.02365	7.3
152.01050	1.8
161.06026	2.8
161.07819	1.5
163.03925	39.9
164.04608	4.9
165.01831	2.9
176.92949	1.4
179.07124	2.1
181.05002	33.3
182.05339	2.2
193.01369	11.6
205.03439	3.7
205.06950	2.6
208.03728	11.1
221.91048	1.3
223.02690	4.6
223.04356	1.4
223.06038	4.5
223.08022	4.2
223.13306	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	5.0
56.02195	0.6
57.03325	20.6
58.00467	0.8
58.03666	0.7
59.01249	10.3
67.01755	1.4
68.99696	1.8
69.03279	0.8
71.01257	14.6
71.01653	0.7
72.99182	10.4
73.02818	2.8
73.91931	0.7
75.00748	7.6
81.03333	1.6
83.01257	12.9
84.02042	2.9
85.02824	100.0
85.99969	0.7
86.03158	2.4
87.00750	5.2
93.03347	1.8
99.00764	3.4
101.02321	10.6
102.02699	0.8
103.00242	2.3
103.03902	1.3
109.02834	7.7
111.00765	47.2
112.01094	1.8
121.02874	3.4
125.02328	6.2
129.01831	33.7
130.02202	0.9
135.04411	1.6
138.03128	1.4
143.03387	1.9
147.02875	7.3
149.02336	8.8
152.00995	1.2
161.04485	2.1
162.47812	0.7
163.03886	1.6
164.04689	5.4
165.01891	0.8
169.04840	0.6
179.03426	2.5
179.07033	2.5
187.02397	1.8
191.02011	0.7
193.01387	4.2
195.39206	0.8
205.03473	33.0
206.03760	1.5
208.03702	7.2
223.02682	3.6
223.04507	29.9
223.06113	1.8
223.09517	0.9
223.13158	1.4
224.04845	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0608
Annotation	Calaminthone
Peak:m/z	Relative Intensity
55.01768	1.5
57.03329	3.0
59.00951	2.5
59.01253	52.2
60.40707	1.4
65.01309	1.6
70.37696	6.2
72.99181	13.9
74.98974	1.6
83.72486	1.6
84.07370	1.3
85.02821	11.3
87.00755	2.3
93.03360	3.7
99.04406	2.1
101.02347	2.3
107.04919	6.5
109.02898	1.9
111.00774	5.8
114.46542	1.4
119.04921	100.0
120.05260	9.2
121.02848	4.3
129.01833	3.7
135.04425	10.5
135.08159	1.8
137.02228	2.1
147.02898	2.3
149.02341	8.1
152.01103	2.3
162.05426	1.8
163.03926	40.1
164.04480	3.7
165.01839	3.2
165.05540	1.6
169.05019	2.6
179.07095	2.6
179.10715	2.5
181.04993	32.0
182.05348	2.1
193.01299	8.9
205.03488	5.1
205.06947	2.4
208.03683	14.3
208.80949	1.6
223.02766	6.5
223.06123	6.0
223.07957	2.7
223.13402	2.4
224.05699	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	223.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31422	0.5
55.01761	3.7
55.89915	0.7
57.03329	17.2
59.01254	9.1
67.01762	1.1
68.99685	1.4
71.01251	13.6
71.32435	0.8
71.32751	0.6
72.99191	9.2
73.02824	2.8
75.00750	6.8
78.95788	1.8
81.03339	2.1
83.01266	10.0
84.02057	2.8
85.02827	100.0
86.03156	2.9
87.00758	6.8
91.62769	0.6
94.12421	0.6
99.00768	3.3
101.02335	12.9
103.00234	2.0
103.03883	2.1
106.82576	0.5
111.00770	44.1
112.01073	0.9
112.17335	0.6
113.02296	0.8
117.01842	0.9
125.02338	10.1
129.01837	37.0
130.02168	0.9
132.03864	0.6
140.70386	0.7
143.03387	3.3
147.02910	10.9
150.16565	0.5
158.96416	0.6
159.02925	0.7
161.04448	2.8
173.00835	0.7
187.02399	3.2
205.03477	42.9
206.03885	2.0
206.57582	0.7
223.04558	40.9
224.04898	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97136	0.8
54.31035	0.6
55.01759	4.6
57.03328	18.7
58.00476	0.8
59.01252	10.7
68.99686	2.6
71.01251	15.4
71.15129	1.1
71.15432	0.8
72.01582	0.7
72.99180	14.9
73.02473	0.7
73.02808	4.0
75.00748	7.6
80.96391	0.8
81.03329	4.1
81.46490	0.7
83.01260	10.7
84.02029	2.8
85.02824	100.0
86.03155	2.7
87.00737	5.2
88.01567	1.3
89.02310	0.9
93.03327	1.0
99.00751	5.8
101.02321	12.3
103.00242	1.3
103.03873	1.5
111.00765	44.2
113.02350	3.4
117.01800	1.0
121.02824	4.0
125.02323	16.5
126.02700	0.9
129.01834	40.0
130.02165	1.2
143.03389	2.1
147.02917	12.3
149.02359	11.7
152.01042	1.1
161.04459	3.9
164.04713	9.6
179.06941	0.9
184.56766	0.7
187.02402	1.9
189.82040	0.7
193.01347	2.9
197.90164	0.7
199.63742	0.9
205.03467	36.0
205.05403	1.8
206.03751	2.7
208.03702	3.7
223.04515	42.5
224.04877	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	223.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56826	1.0
51.86517	0.9
55.01748	4.0
57.03325	17.9
59.01254	10.2
59.87145	1.0
64.72694	1.1
66.22901	1.1
67.01747	1.7
68.31507	1.2
68.99683	2.2
69.62313	1.1
71.01247	15.1
71.06886	2.8
72.99180	14.9
73.02810	3.7
75.00747	8.1
80.96349	1.3
81.03293	2.6
83.01256	12.5
84.02022	1.7
85.02823	100.0
85.13649	1.0
86.03135	2.7
87.00738	4.7
93.03343	2.5
99.00747	5.2
101.02331	10.3
103.03854	1.6
109.02843	2.2
111.00764	40.1
112.01056	1.4
113.02274	3.0
121.02213	0.9
121.02846	10.7
122.03124	1.5
125.02332	13.2
129.01830	41.0
130.02148	1.9
135.04413	1.4
143.03363	2.7
146.91396	1.1
147.02895	13.8
147.03999	1.6
147.04443	1.2
149.01221	1.8
149.02351	29.3
150.02757	2.5
161.04427	1.8
161.80396	1.2
163.03871	2.2
164.04703	17.0
167.51443	1.4
179.06944	2.0
187.02353	1.9
193.01349	6.4
205.01654	2.4
205.03477	35.4
206.03806	1.3
208.03722	7.7
223.04475	37.2
224.04745	2.0
227.98613	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	3.4
57.03325	18.6
59.01254	7.8
64.47224	0.9
65.61607	1.0
67.01769	1.5
68.99699	2.1
71.01256	12.4
71.35424	2.0
72.99186	6.9
73.02825	3.3
75.00746	7.2
81.03329	1.2
81.60740	0.9
83.01254	12.1
84.02052	2.3
85.02824	100.0
87.00777	5.5
89.36227	0.9
93.03284	1.2
99.00758	2.0
101.02325	11.1
103.00254	1.3
103.03910	1.9
109.02840	2.3
111.00766	45.1
112.01070	2.0
121.02827	3.5
125.02357	5.0
129.01830	32.5
135.04472	1.3
143.03418	1.9
145.57907	1.0
147.02907	8.3
148.84505	0.9
149.02345	9.3
152.57765	1.0
161.04482	1.7
163.03961	1.7
164.04688	6.5
187.02477	2.6
193.01282	5.6
205.03473	33.5
206.03923	1.3
208.03722	7.1
219.76222	1.3
223.02690	4.4
223.04480	29.4
223.13419	1.8
224.04921	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	223.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	2.8
57.03331	5.6
59.01255	4.6
67.01765	1.0
69.03326	3.1
69.72822	1.7
69.73236	2.3
71.01249	5.6
72.12494	0.6
72.99184	48.3
73.02824	1.6
73.99527	0.6
75.00746	9.4
81.03333	21.4
82.03690	0.6
83.01263	2.1
83.02290	0.6
85.02827	54.1
86.03176	1.6
87.00754	6.9
87.52938	0.6
89.02335	0.8
92.99994	0.7
93.03349	1.2
97.02851	2.6
99.00758	23.8
100.01097	1.0
101.02339	2.1
109.02847	2.5
111.00769	4.7
113.02338	9.1
117.01843	6.5
121.02847	3.0
121.56278	0.6
125.02341	76.6
126.02671	3.2
129.01836	89.8
130.02219	3.8
131.03397	2.7
135.04417	0.8
137.02350	0.9
143.03403	10.6
147.02901	37.5
148.03265	1.5
149.02344	5.9
151.05122	0.7
159.02887	1.0
161.04466	3.2
163.03922	0.9
164.04697	4.0
165.01793	1.1
165.09055	0.8
169.01358	2.4
179.03482	1.2
179.07045	1.4
179.10675	1.2
187.02403	0.7
191.01968	0.9
193.01341	4.6
205.03487	44.9
205.12180	1.0
206.03885	2.0
208.03714	5.8
223.02904	4.1
223.04543	100.0
223.13408	4.8
224.04892	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	219.1022
Annotation	Precocene II
Peak:m/z	Relative Intensity
52.06598	0.3
59.01237	0.4
69.09077	0.3
69.93938	2.0
71.47234	0.3
77.03854	0.3
93.03345	0.9
95.01250	0.5
105.03382	1.4
108.02085	0.3
109.02802	1.5
114.13632	0.3
114.76807	0.3
121.02846	32.4
122.03175	1.4
123.00771	1.3
123.04433	0.9
135.04408	0.7
137.02348	3.3
149.02350	53.7
150.02681	3.0
159.08121	0.4
160.08780	0.6
163.07553	6.0
164.04698	23.9
165.05058	1.7
175.07626	0.6
176.08377	0.7
177.05487	0.7
179.23170	0.3
190.02612	0.5
191.07106	0.3
196.03705	36.0
197.04080	2.2
204.07866	2.8
219.10217	100.0
219.17464	13.0
220.10559	9.2
220.17892	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1386
Annotation	Dehydrocarissone
Peak:m/z	Relative Intensity
55.01778	0.2
56.54748	0.2
57.03328	1.4
59.01270	0.5
61.98713	0.3
69.50954	2.1
71.04874	0.5
72.07843	0.2
73.08857	0.3
79.05418	0.5
83.04893	1.8
93.07005	1.1
95.04907	0.6
98.19772	0.3
107.04939	0.3
109.02852	0.9
109.06460	0.3
111.04398	5.5
112.04770	0.3
119.08567	0.4
121.06512	0.7
122.03658	0.5
123.04383	0.3
125.05982	3.5
125.09641	0.4
135.08055	1.1
136.05141	0.2
137.09616	0.8
140.04640	0.3
142.02632	0.3
147.08109	0.4
148.05214	2.7
149.05885	0.8
149.09604	0.3
150.06741	0.3
151.07510	0.3
160.08885	0.5
161.09619	4.3
162.10037	0.3
163.07570	3.8
164.08220	0.5
170.05777	1.0
171.08023	0.4
175.07590	0.8
175.11250	0.5
177.09116	0.3
177.12743	1.3
179.10606	0.4
183.11755	0.3
185.09700	0.4
185.66772	0.3
186.10454	1.5
188.08379	1.4
189.09146	5.4
189.12708	1.6
190.09534	0.6
201.12781	12.0
202.13159	1.0
203.10712	14.9
204.07919	1.3
204.11488	38.7
205.11803	3.7
219.13853	100.0
219.17465	10.9
220.14197	10.0
220.17795	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	30.7
69.25806	100.0
80.96376	12.1
85.02838	14.6
105.18445	8.0
115.10323	7.6
116.35848	8.1
142.91618	7.8
206.02106	27.1
221.04520	13.1
221.11737	25.3
221.15097	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0814
Annotation	Coniferyl acetate
Peak:m/z	Relative Intensity
54.10035	0.4
55.27750	0.4
58.43258	0.4
59.01252	2.6
65.99718	0.5
70.97432	1.0
71.01260	0.8
73.02819	0.7
85.02820	4.6
93.03329	2.2
94.83450	0.5
101.02340	0.6
113.02357	0.6
115.33800	0.4
121.02840	94.7
122.03133	4.5
123.00800	0.4
126.92649	0.4
133.06529	0.6
135.00800	0.5
135.04410	0.5
136.05206	4.8
138.03123	0.7
149.02347	0.5
149.05928	0.7
150.03113	0.4
151.03929	0.6
160.05179	0.7
161.06001	1.2
161.09645	0.9
162.06772	100.0
163.00404	0.5
163.07103	8.0
164.08220	0.5
168.04189	1.6
176.04729	0.4
177.05632	1.6
177.09123	65.7
178.06219	1.0
178.09473	6.4
179.10680	1.4
188.15520	0.5
190.99805	1.8
195.02847	0.5
203.10680	0.7
206.02129	1.9
206.05745	0.9
206.09424	1.5
221.00943	0.7
221.04465	1.6
221.08347	2.1
221.11804	3.6
221.15115	0.8
222.03886	0.7
222.07750	0.7
222.12343	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1542
Annotation	Kobusone
Peak:m/z	Relative Intensity
52.52350	0.1
57.73258	0.1
59.01237	0.5
69.07823	0.1
70.63974	0.2
70.64320	0.3
75.58892	0.1
80.78673	0.1
98.20276	0.2
120.38334	0.1
127.07528	0.8
148.05202	0.4
149.05923	0.4
151.07559	0.4
164.08330	2.4
164.09550	0.2
165.08992	0.3
205.12292	2.0
206.02167	0.1
206.12662	0.9
207.13835	1.2
220.14642	4.4
221.15405	100.0
222.15752	10.4
235.13406	1.2
236.13696	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	2.5
65.99721	8.2
66.43822	1.6
69.03317	1.9
69.78011	6.5
69.78431	4.7
71.01283	1.8
76.09148	1.8
79.01727	3.0
81.03342	4.1
85.02840	5.3
95.01268	3.3
96.80204	2.1
97.02827	2.6
109.02825	6.7
111.00760	2.5
111.04376	1.9
111.59453	2.3
118.02856	15.6
119.04919	3.8
123.00772	28.6
123.04388	2.0
125.02354	9.1
135.00793	2.3
136.01559	5.7
137.02354	2.8
139.00284	4.2
141.01886	3.6
146.02405	4.1
149.02327	7.1
151.03914	24.8
152.01070	3.4
155.03467	3.4
162.01868	2.4
163.00322	2.0
163.03893	2.8
164.04683	2.7
165.01796	3.0
166.99788	27.0
167.03441	19.8
169.01393	2.6
179.07076	3.2
181.76537	2.1
182.02129	100.0
183.02478	6.8
184.63736	1.8
190.01361	10.0
193.01360	7.2
195.02899	48.0
204.02972	3.6
208.03812	9.5
222.04001	31.4
222.07732	1.8
223.02689	6.8
223.06129	6.4
223.18202	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	223.0279
Annotation	Foetisulfide A
Peak:m/z	Relative Intensity
52.87025	0.1
57.03305	0.2
59.01244	0.4
59.96592	1.1
63.87013	0.1
70.46557	0.4
71.01242	0.2
73.01040	0.1
74.98947	14.3
75.96086	0.9
75.98904	0.4
76.96870	0.2
77.58590	0.1
77.75062	0.1
80.19428	0.2
83.10788	0.1
85.02823	0.4
87.95087	0.1
93.00013	13.4
93.99928	0.3
101.02371	0.2
102.05164	0.1
121.02902	0.1
133.74257	0.1
149.00868	13.9
150.00868	0.9
150.98781	0.9
152.96783	0.2
165.01904	0.1
193.01355	0.5
195.13858	0.2
205.12306	0.2
206.99655	6.3
207.99738	0.7
208.03758	0.5
208.97623	0.2
223.02789	100.0
223.13203	0.9
224.02837	12.4
225.00772	0.2
233.34442	0.1
241.03864	2.9
242.03943	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0659
Annotation	5,7-Dimethoxy-4-methylcoumarin
Peak:m/z	Relative Intensity
53.66987	0.2
63.02256	0.2
63.47483	0.2
65.00201	0.6
79.01765	0.4
79.84940	0.2
80.04330	0.2
87.04393	1.3
93.03325	0.5
95.04903	0.3
100.45689	0.2
103.01759	1.5
105.03339	1.1
107.01282	0.8
108.02068	0.4
111.04402	10.2
112.04755	0.3
119.01257	0.3
121.02831	1.4
128.80463	0.3
129.07072	0.3
130.04158	0.5
131.01288	6.2
131.04871	0.3
132.01564	0.3
133.02858	0.4
133.06529	0.3
135.04391	0.3
145.06474	0.4
147.00793	0.5
148.01561	2.7
148.05075	0.3
149.02353	18.3
150.02681	0.7
157.06471	0.9
159.04369	0.5
172.05211	0.3
173.05988	3.1
174.06259	0.2
174.98772	0.5
175.00293	9.0
175.03844	0.4
175.07547	0.9
176.01123	1.4
176.04721	0.3
183.04434	0.5
186.03163	0.8
186.75874	0.3
191.03453	0.3
191.07101	1.7
193.01434	0.4
201.05519	19.2
202.05843	1.6
203.03433	1.6
204.04205	2.6
219.06580	100.0
219.17487	9.8
220.06937	8.3
220.14529	0.4
220.17824	0.9
229.35298	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.092
Annotation	Isoketocamphoric acid
Peak:m/z	Relative Intensity
59.01256	1.5
65.01321	0.9
65.99704	0.8
67.83177	0.8
69.03329	1.1
69.97480	4.2
95.04910	1.9
105.54239	0.7
121.06537	1.7
123.08064	2.0
125.09616	100.0
126.09950	7.1
134.03481	0.7
135.08052	1.6
144.00771	4.9
146.68756	1.0
153.09109	15.4
161.33376	0.8
169.08623	3.0
171.01955	1.9
171.10179	83.8
172.00426	1.1
172.10498	6.3
188.04536	0.9
197.08128	7.0
215.00928	35.5
215.09186	29.7
215.12434	1.0
216.01283	3.2
216.09837	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	215.1396
Annotation	L-Valyl-L-valine
Peak:m/z	Relative Intensity
58.02253	1.1
58.02854	2.8
59.01257	2.9
61.20121	1.1
69.50027	10.5
71.01289	1.7
72.00767	4.2
73.46133	1.3
74.02345	12.9
82.02862	12.3
84.04424	23.3
84.76273	1.1
86.02330	5.9
87.00785	1.4
88.24641	1.1
96.40344	1.2
98.20580	1.9
128.03423	16.8
128.10707	4.6
140.10686	1.3
141.10254	7.2
142.12302	2.4
144.00821	10.8
153.12779	1.5
154.12259	1.8
160.04935	1.2
167.11865	5.6
168.10254	1.1
169.13354	7.8
171.14938	13.4
172.00337	1.1
173.07138	1.7
195.11404	1.9
197.12898	74.5
198.13226	4.4
215.00938	68.8
215.13969	100.0
216.01312	6.2
216.14406	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	215.1648
Annotation	12-Hydroxydodecanoic acid
Peak:m/z	Relative Intensity
56.65319	0.3
59.01229	0.4
64.13732	0.3
70.84575	0.3
70.90459	0.7
79.95592	1.9
98.20345	0.4
98.63322	0.3
106.31527	0.3
144.00818	2.6
156.36244	0.3
169.15877	6.0
171.01971	0.7
171.14651	0.3
197.15373	2.2
213.14882	0.9
215.00948	19.7
215.16467	100.0
215.34534	0.4
215.99515	0.4
216.01253	2.4
216.16821	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	213.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
70.77206	1.2
78.81800	0.4
82.65556	0.4
167.14317	1.3
170.85144	0.4
183.13844	6.5
184.14134	0.7
195.13831	17.8
196.14221	1.4
196.17049	0.4
211.13315	1.6
213.14897	100.0
214.15250	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	213.1492
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
51.66613	0.3
59.01245	0.6
70.34534	1.2
113.44112	0.3
125.11851	0.3
162.62442	0.3
165.12769	0.5
168.61702	0.3
169.06494	0.5
183.13843	34.5
184.14178	2.3
195.13853	26.6
196.14203	3.0
211.13400	0.9
213.14917	100.0
214.15269	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	214.0716
Annotation	Succinylproline
Peak:m/z	Relative Intensity
60.88819	2.8
63.05763	2.6
70.86750	7.9
72.00787	4.4
107.04913	4.8
108.02032	5.9
109.02848	3.4
116.04989	4.4
118.06518	5.0
119.04913	10.4
123.04430	4.9
134.05962	6.0
135.04436	6.4
136.07576	6.2
144.00797	8.1
156.18097	2.7
164.07094	11.5
171.01875	2.8
180.06584	7.7
214.07060	5.3
215.00938	100.0
215.03015	6.2
215.12868	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	214.1081
Annotation	(+)-Monascumic acid
Peak:m/z	Relative Intensity
52.32810	0.6
55.01758	1.4
57.03326	3.7
57.40271	0.7
59.01247	3.0
61.59346	0.6
68.99682	0.9
69.94762	4.0
71.01252	4.0
72.04419	21.8
72.99191	2.3
73.02826	0.9
75.00754	4.0
82.06494	0.8
83.01252	2.1
85.02830	2.1
87.00751	1.2
99.00750	1.8
105.03348	1.0
109.95529	0.8
110.43692	0.7
112.01586	1.7
124.11285	1.0
133.02827	5.6
134.03683	0.9
135.04443	6.5
140.10707	6.4
141.20309	0.6
142.12277	100.0
143.12614	5.3
144.00761	3.9
148.05191	1.0
161.02345	9.7
161.05952	0.8
162.02698	1.2
168.10216	36.4
169.10590	1.9
170.11780	33.6
171.12160	1.9
173.07152	1.1
179.03439	2.0
214.10791	19.3
215.00932	29.0
215.09253	1.0
215.11092	1.7
215.12909	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0762
Annotation	cantharidic acid
Peak:m/z	Relative Intensity
51.06356	3.0
54.06674	2.4
59.01245	29.8
62.50291	2.4
90.02463	2.9
95.04909	2.7
97.06462	7.9
121.06480	3.5
123.08044	100.0
124.08386	7.1
125.09610	49.0
133.06490	10.2
141.09093	8.0
151.07549	69.1
152.07965	3.5
166.99785	5.5
167.07031	3.2
169.08615	40.5
180.35233	3.0
195.06609	6.7
213.05663	5.7
213.07599	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0875
Annotation	5-(4,5-Dihydroxypentyl)uracil
Peak:m/z	Relative Intensity
58.00484	0.4
59.01248	0.6
71.58019	0.6
71.58389	0.4
73.05077	0.4
80.65254	0.4
95.06019	0.5
96.04433	0.6
109.03968	4.6
123.05530	100.0
124.05891	4.2
125.53764	0.4
135.05569	0.4
137.07104	6.6
165.06609	13.1
166.06973	1.0
183.87941	0.4
195.07678	1.0
195.13773	0.3
199.12657	0.4
213.08786	1.0
213.11055	0.4
213.14926	1.6
213.18452	0.8
218.74110	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1129
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
57.03315	0.6
58.99561	0.4
59.01259	0.8
59.44858	0.4
65.01314	1.0
66.00800	0.5
71.60901	0.6
83.04902	0.7
97.06493	0.7
105.04451	0.5
126.85441	0.4
130.04070	0.6
144.05603	0.8
151.11198	11.5
152.11549	1.1
169.12265	100.0
170.12602	8.2
171.06653	1.2
171.81055	0.5
176.09508	0.5
185.02336	0.5
187.06207	1.4
195.10223	0.7
213.01732	0.7
213.03676	0.6
213.05652	0.9
213.09264	1.1
213.11264	13.7
213.14888	5.0
213.18381	2.3
214.07277	0.7
214.11549	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	5.4
59.01255	16.6
67.01756	1.3
69.03329	35.0
69.45429	2.0
69.45837	10.6
71.01244	2.3
71.04887	3.4
80.02573	1.6
83.04907	4.8
93.03336	2.0
95.04887	4.3
97.06468	1.7
109.06476	4.3
110.14906	1.4
111.08047	6.9
121.02082	2.4
121.02860	30.6
121.10149	3.4
124.03933	1.7
127.07575	1.7
135.08040	3.7
137.09631	2.0
147.11668	2.0
153.09099	8.9
163.11229	6.7
165.09114	5.1
165.11530	2.3
165.12785	25.7
166.13211	1.3
179.03329	1.7
181.12274	25.4
182.12585	2.9
191.10719	28.1
192.11055	1.4
209.04361	1.9
209.11771	100.0
210.12045	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	209.1177
Annotation	6-Oxo-7(9)-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
56.15416	0.7
57.03316	2.0
59.01250	100.0
60.01577	1.4
62.59812	0.6
65.61256	0.7
66.54456	0.7
69.06987	0.7
71.01247	1.0
80.02563	1.0
81.03345	2.0
83.04932	1.1
85.02805	3.4
91.01817	0.8
92.99729	1.3
93.03318	1.1
94.02867	1.3
95.01305	0.8
97.06491	2.8
109.06486	2.3
120.02078	1.1
121.02841	66.6
122.03156	4.1
123.00668	0.7
123.04413	0.8
124.03965	2.6
128.17723	0.8
133.43063	0.7
135.04396	0.9
136.01556	1.8
137.02344	1.0
137.05930	1.1
144.05739	0.8
156.05533	0.9
164.98196	1.5
165.09190	1.7
165.12788	3.9
179.03467	2.3
179.32921	0.7
183.06677	1.6
191.01866	0.8
194.02246	0.9
194.05850	2.0
194.08521	0.9
209.04428	5.4
209.08243	3.1
209.11760	16.4
210.07898	1.2
210.12216	1.1
221.11577	0.8
225.22318	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41580	0.4
59.01251	0.6
62.97887	0.4
69.03341	0.8
71.35176	1.0
83.04860	0.5
86.27647	0.4
98.20225	0.8
130.25522	0.4
146.26950	0.4
155.10632	0.5
160.97160	0.4
165.12733	0.6
167.10709	0.5
167.14307	1.7
183.13832	16.1
184.14168	0.8
187.74704	0.4
193.12231	4.2
211.13332	100.0
212.13666	8.9
213.62196	0.5
215.51988	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1335
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
58.26516	0.5
69.03324	1.0
80.61953	0.5
82.57867	0.6
83.04884	0.5
106.74525	0.8
149.61223	0.6
155.10658	0.9
167.10672	1.2
167.14311	1.7
183.13841	18.0
184.14174	1.0
193.12303	4.0
211.13347	100.0
212.13719	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	211.1334
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
51.77339	0.6
59.01240	1.6
63.82315	0.6
67.01768	2.7
69.03320	0.8
69.41177	3.8
83.04877	1.1
85.06464	0.7
95.01263	0.7
95.04933	0.7
108.13862	0.6
121.02821	0.5
121.18349	0.6
124.89309	0.6
125.02312	0.6
125.05975	0.9
125.09617	5.3
130.08609	0.5
153.01826	1.0
166.90996	2.2
167.14316	4.6
181.01489	0.5
183.13797	2.8
192.97922	0.8
193.12216	0.6
196.03711	0.9
211.13336	100.0
212.07355	0.6
212.13676	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	211.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95368	0.5
59.01235	1.0
69.03319	0.5
71.34547	0.9
71.34878	0.7
85.45556	0.5
93.57175	0.4
101.86540	0.5
103.92054	0.5
155.04945	1.0
155.10667	0.7
161.45738	0.5
165.12767	0.6
166.90872	0.5
167.05009	1.2
167.10709	1.0
167.14320	1.7
167.36082	0.5
183.04518	0.7
183.13826	15.5
184.14220	1.0
193.12280	4.2
211.03947	2.1
211.13345	100.0
212.13718	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	209.1177
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
54.92219	0.5
55.01758	5.6
55.03858	0.5
57.03325	2.8
59.01249	0.5
69.03315	1.6
69.87424	2.9
71.01250	0.7
71.04872	0.8
80.02550	1.2
81.03329	5.6
83.01255	40.5
83.04895	5.0
84.01595	1.0
84.02057	1.3
85.93118	0.5
90.73985	0.5
93.03374	0.7
95.04898	2.1
97.06464	7.0
98.99261	0.5
103.25400	0.5
106.04133	0.9
109.06464	0.8
121.02847	14.0
122.03168	0.9
123.08060	2.9
125.09610	36.6
126.09954	1.7
134.03630	0.5
135.08051	2.5
142.02596	0.5
147.11693	1.4
153.12794	0.7
153.26805	0.5
161.09621	0.9
161.84349	0.5
163.11189	13.5
164.11554	0.7
165.09052	0.6
165.12766	4.8
181.12271	2.2
183.62883	0.7
191.09024	0.7
191.10704	11.0
192.10959	0.8
209.11777	100.0
210.12137	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	209.1178
Annotation	Oxyphyllenone B
Peak:m/z	Relative Intensity
57.03056	0.9
57.03319	5.4
59.01269	4.0
65.00204	1.6
69.03329	2.2
71.01255	11.6
71.04902	1.2
73.02818	1.4
75.46789	0.8
78.88817	0.7
80.02553	3.0
81.03333	4.4
83.01262	7.7
83.04904	7.2
84.02046	1.0
85.02353	0.7
85.02824	3.9
89.44562	0.8
91.01781	1.8
92.99654	0.8
93.03358	2.6
94.02888	1.2
95.04907	3.0
97.06489	5.4
98.19765	1.7
107.04891	2.3
109.06467	1.4
111.08032	1.4
120.02082	1.2
121.02850	100.0
122.03143	4.9
123.04398	1.1
123.08029	2.9
124.03944	2.8
125.02370	1.1
125.05989	1.5
125.09612	10.9
135.04451	1.0
135.08070	1.6
136.01581	2.2
136.70984	0.7
137.09583	1.0
145.10109	2.2
147.08052	1.2
147.11664	2.5
151.03941	1.5
151.11192	17.4
152.11542	1.4
153.12766	3.0
161.02341	1.0
161.09669	1.1
163.11197	7.4
164.11447	0.8
164.94044	1.2
165.01897	0.9
165.09131	5.5
165.12776	15.5
166.94249	0.8
167.10667	7.2
170.84929	0.7
173.09593	2.0
178.99846	1.5
179.03430	2.5
179.10703	4.2
181.04799	0.8
181.12273	19.5
182.12611	1.8
191.10721	10.2
192.11029	1.0
194.02144	2.3
194.05817	2.8
209.04538	8.5
209.08138	8.4
209.11771	85.3
210.04691	0.8
210.08270	0.9
210.12100	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	209.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09927	0.5
58.51646	0.4
70.34151	2.1
73.26485	0.5
74.66813	0.4
93.03362	0.5
98.20488	0.6
121.02848	10.3
121.37655	0.5
125.05959	0.5
135.08047	0.5
150.48055	0.5
165.12816	0.6
181.12282	0.6
209.11777	100.0
210.12111	7.6
220.55016	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07804	1.4
52.83833	1.4
54.46717	1.5
55.48276	1.3
56.81739	1.3
57.03321	6.8
59.01254	18.5
63.77596	1.3
69.03328	34.2
70.78683	4.7
71.01261	1.7
71.04893	1.7
73.64541	1.3
80.05440	1.8
81.03329	2.3
83.04889	4.6
93.03307	2.0
95.04905	3.0
109.06467	3.5
109.48723	1.5
111.08038	4.5
121.02840	30.8
121.10175	1.8
127.07545	1.8
135.08066	3.1
147.11719	2.8
153.09132	9.8
163.11183	4.0
165.09137	7.3
165.12755	23.5
173.09633	2.0
181.12260	26.1
182.12581	1.9
191.10716	30.9
192.11082	1.8
209.08260	4.3
209.11768	100.0
210.12132	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	209.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	2.2
59.01255	2.8
59.35318	0.6
63.02274	0.7
65.00196	4.0
70.32724	0.6
71.01272	0.9
71.04892	1.1
80.02606	0.6
81.03332	19.4
83.01260	4.6
83.04914	1.7
85.02840	2.0
93.03355	0.8
94.02872	0.7
95.04887	0.8
99.08038	4.9
101.05976	1.6
107.01273	1.6
109.02853	0.7
109.70634	0.6
120.02045	0.6
121.02850	41.0
121.06609	0.7
122.03191	2.0
123.00803	0.6
123.08048	10.2
124.01577	3.0
124.03939	2.5
124.08388	0.6
125.02357	10.9
125.05975	14.3
135.04402	0.9
136.05194	2.2
137.02393	0.8
137.05992	1.3
141.09128	2.2
147.08084	2.2
150.06744	0.9
151.00293	3.5
151.03940	1.4
152.01051	1.9
156.05627	0.7
161.02351	1.2
161.91064	0.6
163.11172	0.8
165.09132	78.8
165.12761	1.4
166.09479	4.8
167.07028	0.6
178.99780	1.1
179.03429	2.6
183.06735	1.2
191.07022	2.9
194.02098	1.6
194.05818	2.6
209.04604	3.7
209.08148	100.0
209.11575	16.3
210.08502	8.0
210.11955	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0814
Annotation	Panepoxydone
Peak:m/z	Relative Intensity
55.54587	0.3
57.03332	1.7
59.01251	2.3
59.29007	0.4
59.36560	0.3
65.00181	2.1
69.92642	0.7
69.93047	1.7
79.47850	0.3
81.03329	20.5
82.03680	0.4
83.01278	1.4
83.04893	1.0
98.19926	0.6
98.20452	0.4
99.08023	1.7
101.05969	2.2
107.01280	2.0
120.02037	0.5
121.02845	12.5
121.06440	0.6
122.03655	5.4
123.08047	8.1
123.08911	0.5
125.02338	7.9
125.05969	11.5
126.02718	0.5
126.06355	0.5
134.19980	0.4
140.40454	0.4
141.09050	0.8
147.08095	0.6
149.06044	0.4
151.00285	3.4
163.11090	0.6
164.94090	0.5
165.09120	78.2
166.09468	5.6
167.03557	0.4
167.07057	0.7
176.04703	0.4
191.07066	2.0
209.08128	100.0
209.11714	5.0
210.08459	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	209.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88348	0.3
57.03330	1.9
58.93854	0.3
59.01244	2.5
59.90139	0.3
63.02280	0.9
65.00192	4.2
67.01770	0.4
68.99699	0.4
69.03343	0.3
69.51685	1.1
69.52110	1.2
71.04889	0.7
80.02522	0.6
81.03330	26.4
82.03673	0.6
83.01263	2.9
83.04928	0.4
85.02825	0.3
93.32013	0.3
95.01295	0.6
95.04902	0.3
99.08035	5.7
99.08645	0.5
101.05970	3.1
105.06964	0.5
107.01262	2.1
107.04903	0.5
109.02890	0.3
109.06438	0.3
121.02845	4.0
121.06482	0.8
123.08051	11.9
124.01546	2.8
124.08372	0.6
125.02348	9.9
125.05975	18.9
126.06293	0.5
135.04401	0.5
135.08092	0.4
136.05199	2.7
137.05986	1.0
137.09651	0.4
141.09134	1.8
147.08067	2.4
149.05984	0.4
150.06764	1.0
151.00304	2.9
151.03799	0.3
152.01051	2.1
153.01485	0.4
163.07466	0.3
165.09126	88.7
166.09457	7.3
167.07083	1.0
179.03435	0.5
191.07059	4.1
194.05855	0.3
209.08147	100.0
209.11662	3.8
210.08490	8.5
210.11786	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	2.6
59.01257	2.3
63.02267	0.5
63.61116	0.2
65.00190	3.8
67.01752	0.3
69.64128	1.9
71.01232	0.3
78.95748	0.3
79.05410	0.3
80.02544	0.2
81.03327	18.7
81.06998	0.3
82.03664	0.6
83.01263	3.8
83.04897	0.8
84.28544	0.2
85.02837	0.9
89.02335	0.3
91.74501	0.2
95.04897	0.3
97.06464	0.6
99.08050	2.1
101.05933	1.2
105.06950	0.3
107.01260	3.1
107.04916	0.3
116.96811	0.3
120.02074	0.5
121.02852	10.2
122.03661	6.2
123.04404	0.9
123.08056	8.0
124.01556	0.7
124.03931	0.3
124.08373	0.4
125.02344	7.6
125.05978	13.8
126.02687	0.4
126.06310	0.8
137.09645	0.6
141.09117	0.7
147.07999	0.6
148.01587	0.4
151.00272	4.4
152.00874	0.4
163.07578	0.3
163.62808	0.3
165.09126	64.6
166.02682	0.3
166.09445	4.5
167.07077	0.4
176.04628	0.8
183.06630	0.4
190.17511	0.3
191.07036	2.6
209.08139	100.0
210.08469	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	209.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.4
59.01245	2.8
65.00194	4.5
69.66294	3.6
69.66699	1.3
71.01252	1.5
81.03329	17.8
83.01260	4.1
83.04897	1.0
85.02823	2.6
98.19792	1.2
99.08051	2.6
99.27865	0.7
101.05970	1.7
107.01278	2.8
109.02914	0.9
116.92209	0.6
121.02850	12.6
121.03682	1.3
122.03643	3.2
123.08033	7.0
124.03937	1.0
125.02334	8.1
125.05974	15.2
136.05246	1.0
137.06068	0.8
137.09528	0.8
138.00586	0.7
141.09116	0.9
147.08136	1.3
149.06003	0.8
150.06775	0.7
151.00278	4.4
152.00952	0.7
163.11276	1.0
165.09123	63.0
166.09512	4.7
176.04669	0.8
179.03394	1.2
183.06622	0.8
191.07101	3.1
194.05855	1.1
209.08139	100.0
209.11723	6.9
210.08440	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	209.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.5
59.01238	1.1
67.01737	0.6
69.75459	1.8
71.01261	0.4
81.03336	0.8
85.02813	1.8
107.04898	0.8
108.02033	0.8
109.02823	0.8
121.02840	10.4
123.00761	0.3
123.04421	5.8
124.03914	0.3
129.01785	0.4
136.01540	0.4
149.05997	0.5
149.99483	1.2
151.03914	31.7
152.04271	2.0
153.01796	0.5
156.05516	0.4
161.02336	0.6
165.05481	0.8
165.09103	0.3
179.03416	100.0
180.03749	5.8
183.06671	0.4
193.05008	1.4
194.05774	90.1
195.06122	6.9
207.26051	0.3
209.00999	1.9
209.04567	1.3
209.08144	20.9
209.11659	1.3
210.08487	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.7
59.01249	3.3
63.02262	0.6
65.00193	3.5
69.81402	0.9
69.81818	1.9
71.01254	0.7
80.02567	0.4
81.03327	18.8
82.03657	0.4
83.01254	4.1
85.02823	2.2
89.77943	0.4
95.04891	0.4
98.19720	0.4
98.77409	0.3
99.08030	3.3
101.05955	2.1
105.06985	0.5
107.01260	3.2
120.02054	0.7
121.02840	20.1
121.06464	0.7
122.03156	0.8
123.00824	0.5
123.08050	10.1
124.01566	1.0
124.03932	0.5
125.02326	5.3
125.05973	17.0
126.06363	0.8
135.04404	0.7
136.01569	0.4
136.05185	2.2
137.06003	0.9
141.09126	1.4
147.08092	2.8
149.06030	1.2
149.99655	0.4
150.06700	0.7
151.00262	3.5
152.01018	0.9
165.09123	57.3
166.09460	4.3
167.07059	1.1
179.03394	1.0
183.06715	0.4
185.43106	0.4
191.01962	0.4
191.07082	3.9
209.04669	2.6
209.08130	100.0
210.08473	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	209.0814
Annotation	(+)-3-Hydroxy-5-(p-hydroxyphenyl)pentanoic acid
Peak:m/z	Relative Intensity
54.54572	0.5
57.03323	0.7
59.01250	56.2
60.01586	1.0
60.57227	0.4
61.65320	0.4
62.15714	0.4
69.45466	1.0
69.45879	3.3
71.01261	1.5
85.02827	4.8
88.64047	0.5
91.01778	2.0
94.02863	0.5
95.01246	0.5
106.04102	3.0
107.04908	0.9
108.02049	2.1
120.02052	1.4
121.02842	100.0
122.03161	4.9
123.00745	0.6
124.03886	0.7
129.01828	0.7
136.01553	1.6
137.02368	0.6
147.08069	3.1
149.05986	44.1
150.06337	2.6
151.03934	1.2
155.04578	0.6
165.01936	0.6
165.05579	0.7
179.03448	1.7
181.05101	0.8
183.06650	1.2
185.79730	0.6
187.22365	0.5
191.01767	0.6
194.02133	1.1
194.05756	1.5
204.81290	0.6
209.00870	0.7
209.02757	1.0
209.04578	7.8
209.06447	0.9
209.08128	9.7
209.11674	2.6
210.04749	0.5
210.08141	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12570	0.7
55.73214	0.6
57.03325	1.4
58.03901	0.6
59.01250	100.0
60.01585	1.7
60.99188	0.6
69.30531	1.9
69.30961	3.9
71.01260	1.3
72.99184	0.6
78.95761	0.8
83.01254	1.7
85.02806	3.3
91.05372	0.6
93.03320	0.9
93.61387	0.5
106.04130	3.0
106.62959	0.6
107.04912	1.1
108.02045	1.0
121.02844	21.7
122.03242	1.1
123.04466	0.8
125.02348	14.3
135.04448	0.6
147.08018	6.3
149.05983	86.1
150.06334	5.0
151.03912	2.6
156.05588	0.7
163.07603	0.6
167.87129	0.6
179.03419	8.3
180.03734	0.9
194.05766	9.1
209.00774	1.4
209.04495	2.0
209.06224	1.0
209.08154	18.3
209.11517	3.0
210.08435	2.0
213.12378	0.6
217.10931	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06968	0.4
55.01764	2.6
57.03041	0.9
57.03325	16.8
58.00462	0.9
59.01252	17.1
68.99691	1.9
70.05990	2.0
71.01256	30.0
72.99181	6.2
73.02827	1.2
75.00745	3.4
80.96391	3.2
83.01248	2.9
84.02041	4.1
85.02825	100.0
86.03139	3.1
87.00753	8.1
89.02314	10.2
96.95914	0.4
99.00742	1.1
101.02307	1.0
103.00239	1.6
104.31696	0.4
111.00771	2.7
111.73965	0.4
115.00289	0.9
129.01834	12.0
133.01326	10.1
141.01848	0.7
142.99771	1.4
147.02872	3.0
150.03134	0.8
159.02882	1.3
165.05429	0.5
173.00815	0.9
191.01917	12.3
192.02417	0.5
209.02977	22.2
209.06567	13.0
209.08578	0.7
210.03336	1.1
210.06966	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0661
Annotation	alpha-D-Mannoheptulopyranose
Peak:m/z	Relative Intensity
50.80348	2.7
55.01763	6.3
57.03325	40.1
58.00457	5.0
59.01257	39.3
59.86190	2.8
69.63434	6.0
69.63836	21.3
70.15695	2.6
71.01259	28.3
72.99198	4.5
73.02818	8.6
73.36099	2.6
75.00736	3.3
83.01254	6.6
84.02055	9.9
85.02829	100.0
87.00764	33.1
87.04434	3.1
89.02321	11.7
94.95579	5.3
97.02813	3.9
98.19809	6.3
99.00763	9.1
101.02335	5.9
105.83890	2.7
106.28853	3.0
111.00799	9.4
118.21321	2.6
129.01837	47.5
136.96704	5.4
141.01903	6.5
152.78752	2.9
159.02914	10.6
209.03252	3.1
209.06602	68.8
210.07025	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	207.0657
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
59.01253	100.0
60.01603	1.7
69.45825	13.4
72.99181	11.6
75.00714	2.1
98.19878	3.8
119.04919	10.3
126.41500	1.4
145.91029	1.4
147.04430	86.1
148.04791	4.5
160.16908	1.5
165.05495	76.3
166.05885	7.1
192.04187	3.1
194.69321	1.6
228.63351	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60699	2.2
59.01252	100.0
63.18788	2.0
70.73238	7.4
72.99172	13.1
79.95607	2.6
99.18574	2.0
119.04912	17.5
122.03574	4.2
143.04924	4.8
147.04431	92.6
148.04730	5.5
163.07552	9.9
164.04587	2.6
165.04109	4.3
165.05499	81.2
166.05843	4.8
177.01839	6.0
178.33810	2.0
192.00597	16.7
192.04234	8.5
207.01132	15.1
207.02905	5.2
207.06577	3.2
214.37494	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	209.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05946	0.6
53.84133	0.6
55.01753	2.9
57.03324	17.0
58.00472	1.0
59.01248	17.1
62.64466	0.6
68.16783	0.5
68.99676	1.8
71.01254	26.8
71.05542	1.5
72.01594	0.6
72.99178	5.6
73.02826	1.7
75.00747	3.7
79.92312	0.6
83.01254	4.4
84.02041	4.8
85.02824	100.0
86.03158	2.5
87.00752	9.7
89.02318	9.3
99.00750	1.7
101.02320	1.6
103.00294	1.3
104.04916	0.7
109.01587	1.2
111.00772	5.3
115.00262	1.7
121.02853	1.7
129.01837	17.5
130.02141	1.0
133.01331	9.1
136.55305	0.7
141.01810	0.9
146.49278	0.6
147.02893	2.3
148.98415	0.5
159.02885	2.3
173.00864	0.9
183.60422	0.6
191.01903	15.7
192.02188	0.7
209.01019	1.1
209.02986	16.1
209.06578	18.2
210.03302	0.8
210.06978	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0818
Annotation	N-Acetyl-D-phenylalanine
Peak:m/z	Relative Intensity
58.02851	38.0
59.01242	0.7
59.03190	0.9
69.77827	0.9
69.78238	2.0
70.02854	13.9
72.00781	7.2
82.95263	0.5
83.34895	0.5
91.05413	11.1
122.03609	1.9
135.04419	1.5
147.04428	39.8
148.04785	2.0
162.09111	1.0
163.07585	2.5
164.07086	100.0
165.07445	5.2
206.08165	28.4
207.06696	0.7
207.08453	2.6
216.58560	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
63.02268	4.1
69.39546	25.9
72.99187	9.1
75.00750	7.1
85.81955	2.7
107.01276	7.8
119.04930	13.2
135.05426	3.0
147.04419	90.0
148.04784	5.3
151.00307	14.4
165.05479	79.5
166.05844	4.7
169.01392	4.3
177.01878	5.6
178.99763	11.1
183.95392	3.0
192.04192	6.9
206.09727	2.6
206.99313	18.6
207.06580	3.3
213.66426	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0816
Annotation	2-acetamido-4-methylphenyl acetate
Peak:m/z	Relative Intensity
56.62212	0.7
58.02848	79.3
58.64674	0.8
59.01250	19.8
59.03164	0.9
59.16416	0.7
69.75856	4.3
70.02847	12.1
72.00772	6.9
72.99172	2.8
75.00742	1.3
76.49502	0.7
76.70415	0.7
79.01731	0.8
82.60195	0.7
91.05413	5.1
98.20576	1.5
107.04916	1.0
109.02762	0.8
109.46641	0.8
110.11868	0.8
111.30169	0.7
116.12302	0.7
119.04887	3.4
122.03599	3.7
135.04385	2.9
136.01514	0.9
137.03415	0.9
146.05911	0.8
147.04416	54.4
148.04764	2.5
154.02576	1.5
160.04022	0.7
162.09079	0.9
163.00224	1.4
163.07524	10.8
164.07076	100.0
165.04120	1.0
165.05487	14.1
165.07468	6.4
176.03444	0.7
177.01836	3.1
178.17780	0.8
178.99799	0.9
190.99753	1.4
192.00623	1.3
192.04170	3.8
206.08151	31.1
207.02959	1.9
207.06604	2.4
207.08549	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	206.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17729	1.0
58.02849	83.9
59.01252	13.0
65.00187	2.2
68.11462	1.2
69.81271	2.0
69.81675	5.8
70.02861	12.5
72.00784	5.0
91.05401	6.6
95.01324	1.4
106.74854	1.3
119.04895	1.2
135.04422	1.2
136.98672	1.6
147.04425	44.7
147.05589	2.3
148.04675	2.2
151.00264	3.3
162.09114	1.0
163.07484	2.1
164.07080	100.0
165.05508	9.4
165.07449	5.2
178.99782	6.1
179.03329	1.4
189.01900	1.6
206.02219	1.5
206.08162	32.9
206.99290	6.7
207.02957	3.3
207.06578	3.2
207.08464	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	205.1593
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
55.42566	0.1
55.60719	0.1
58.02842	0.1
59.01244	0.1
64.16016	0.1
70.65102	0.4
73.36465	0.1
74.40668	0.1
78.02066	0.1
86.10490	0.1
87.00751	0.1
112.79080	0.1
133.02867	0.3
149.09593	0.2
151.78491	0.1
156.61148	0.1
161.02367	0.2
161.06093	0.1
162.89259	0.2
189.12781	1.8
190.13173	0.2
205.15919	100.0
206.16261	9.8
219.79672	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	204.0661
Annotation	Indolelactate
Peak:m/z	Relative Intensity
55.43621	1.8
57.36879	1.6
59.01257	5.0
61.62430	1.7
65.99721	2.9
68.01285	5.5
70.85242	3.4
70.85613	3.0
71.01244	2.5
72.99182	74.0
73.91764	1.7
83.01302	2.8
85.02834	7.9
87.00806	1.8
91.05418	3.6
93.03336	1.6
94.44686	1.6
102.70372	1.8
106.06514	6.9
107.04916	2.5
108.85949	1.6
110.02399	1.9
111.00766	4.3
115.05392	2.0
116.04964	23.7
117.05308	3.1
118.06511	7.0
119.02417	2.0
119.04919	46.1
120.05242	2.0
120.34294	2.1
121.05123	2.2
123.99707	1.6
130.06531	18.5
131.03671	4.8
132.04477	4.1
133.02806	1.9
133.06505	7.6
134.03581	1.9
134.06035	16.2
140.04982	6.0
142.06535	100.0
143.04984	3.9
143.06903	6.2
144.04457	10.4
145.02905	2.7
147.04451	2.4
158.06033	7.2
159.04407	2.2
160.03967	11.4
160.07565	11.7
161.05991	8.4
162.05521	49.0
163.03937	9.0
163.05943	4.0
163.11214	1.9
168.04457	11.4
186.05548	77.0
187.05907	5.1
204.02873	2.0
204.04836	3.2
204.06618	40.8
204.08549	2.2
205.05051	6.2
205.07025	3.6
205.12303	4.3
205.15991	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	204.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75412	1.6
59.01241	3.9
62.45707	1.6
65.01315	3.2
65.99732	3.8
67.02905	1.5
70.21027	1.5
71.01251	1.9
71.53938	1.9
80.59612	1.6
82.03982	3.0
83.04884	1.8
93.03339	1.8
106.04004	2.8
115.00248	1.6
115.04817	1.5
118.04012	1.7
119.02439	1.6
121.04070	1.4
121.05111	9.0
133.02878	4.1
133.03894	2.2
135.05464	1.6
136.05185	9.1
141.42247	1.8
149.05965	8.4
154.78357	1.7
161.02330	3.8
161.05968	2.3
161.09766	2.0
162.89279	2.8
163.06155	3.5
163.11226	3.4
171.08006	3.6
174.06729	2.9
177.01834	3.8
187.11163	1.9
188.08369	11.8
189.09102	13.8
190.02716	2.3
190.09526	1.8
203.10707	54.8
204.02922	2.9
204.11501	100.0
205.01369	6.3
205.05026	4.6
205.07117	2.5
205.12206	15.0
205.15938	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	205.0347
Annotation	(R)-2-Hydroxybutane-1,2,4-tricarboxylate
Peak:m/z	Relative Intensity
55.01768	5.7
57.03320	8.2
59.01251	20.1
60.99153	0.9
67.01756	3.5
68.99687	3.2
69.71039	6.5
71.01254	29.0
71.04890	13.1
72.99178	17.4
73.02809	5.5
75.00748	10.7
81.03333	11.6
83.01260	10.9
83.04895	3.5
85.02821	27.0
85.06499	0.9
87.00755	27.5
95.25431	0.9
96.99216	1.0
97.02835	1.3
97.06459	3.8
99.00754	11.4
99.04393	15.2
101.02320	23.1
102.87906	0.8
103.00285	1.3
110.16011	0.9
111.00764	28.7
112.01122	1.4
112.98692	4.7
115.00268	10.2
115.03905	5.9
117.01833	3.4
124.98692	2.4
125.02335	100.0
125.05956	2.2
126.02653	4.2
127.00272	1.3
129.01878	4.6
130.99760	3.7
131.03438	1.5
133.02852	1.0
137.02542	0.9
142.99756	2.4
143.03418	6.3
143.07039	8.8
145.01332	13.6
145.04964	6.1
154.99754	1.9
157.01353	1.5
161.04471	1.0
161.05902	1.0
173.00821	1.2
187.02368	7.4
187.06036	5.1
205.03481	17.3
205.07100	8.5
205.08929	1.7
206.03999	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.082
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
57.71365	0.7
68.04951	0.7
70.33770	2.2
70.75081	0.7
72.00784	28.0
74.02346	36.0
78.23801	0.8
80.02348	0.7
82.49612	0.8
116.04948	100.0
117.05283	5.6
130.06512	3.2
132.08044	1.0
142.06526	26.5
143.06903	2.1
157.07567	1.3
159.09178	20.3
160.09573	1.3
161.04817	0.9
186.05531	4.1
203.08199	63.3
204.08557	4.5
220.86774	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1283
Annotation	(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol
Peak:m/z	Relative Intensity
51.35717	0.6
53.18742	0.6
57.03331	4.7
59.01234	1.5
65.01311	1.2
65.99723	1.2
68.32007	0.6
69.57388	1.6
69.57807	3.1
71.01266	0.6
71.04903	0.7
72.99185	7.4
75.00760	0.7
82.03960	0.6
83.02374	0.6
85.06450	0.6
98.20581	1.1
106.04011	1.0
107.02409	0.9
111.08012	1.9
113.09608	4.4
116.04939	8.3
117.38500	0.6
118.03989	0.6
119.02402	0.9
120.05591	0.6
121.03936	0.8
122.03455	0.6
123.08035	1.7
127.11195	5.0
128.04973	3.5
130.06520	5.1
132.04477	1.5
132.05609	1.0
133.02872	0.9
133.03922	1.1
134.03500	1.4
137.09608	0.8
139.11218	2.1
141.09091	3.0
142.06540	6.9
143.40524	0.5
144.04428	1.6
146.03525	1.1
147.04396	0.9
148.05098	0.6
155.10701	9.6
157.12256	52.4
158.03630	0.7
158.06030	20.0
158.12642	3.4
159.04369	0.7
160.03951	0.7
160.05139	0.8
160.89291	0.7
161.04620	0.9
161.08220	0.6
161.77440	0.6
163.00935	0.8
172.03967	1.0
175.03923	1.0
176.04547	1.3
185.04637	0.6
185.11668	0.8
186.05542	8.4
196.46356	0.6
201.11263	0.9
203.03433	2.5
203.05472	1.4
203.12831	100.0
204.04982	1.6
204.06606	21.3
204.10356	0.7
204.13153	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	203.0821
Annotation	(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoate
Peak:m/z	Relative Intensity
52.00692	0.4
54.59955	0.5
55.19563	0.6
59.01247	1.3
60.76078	0.5
65.01314	0.8
65.99728	0.6
68.01277	0.6
71.01247	0.7
71.59846	0.7
72.00785	21.2
72.99174	2.8
74.02347	35.0
75.02687	0.6
76.16856	0.5
107.02410	1.0
116.04951	100.0
117.04559	1.0
117.05294	6.0
118.04037	0.7
119.02437	0.6
119.04893	0.7
121.04030	0.6
128.85403	0.5
130.06543	3.8
132.05522	1.0
134.03496	0.7
142.06534	30.1
143.06897	1.5
143.28592	0.6
144.04398	0.9
146.03545	0.7
147.04404	0.7
148.05009	0.8
149.03500	0.8
149.41965	0.5
157.07504	0.9
159.04387	0.6
159.09184	14.5
160.05106	0.7
160.07629	0.7
160.09535	0.9
161.04660	1.7
162.05403	1.1
163.03815	0.7
176.04614	1.6
186.05508	7.1
186.07010	0.8
188.04709	1.3
193.81345	0.5
203.03409	1.9
203.08226	47.5
203.10608	1.6
204.06741	0.8
204.08534	4.0
218.07710	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0819
Annotation	L-Tryptophane
Peak:m/z	Relative Intensity
51.38997	0.3
59.01254	0.4
64.23874	0.3
65.99696	0.3
68.01263	0.4
69.42494	2.4
72.00780	23.2
72.27094	0.3
72.99189	1.1
73.01125	0.4
74.02348	35.6
75.02705	0.4
77.75729	0.3
85.12616	0.3
90.51344	0.3
91.84766	0.4
98.20543	0.7
107.02385	0.3
116.04951	100.0
117.05281	4.7
119.04869	0.5
121.45227	0.3
128.04929	0.3
129.05769	0.4
130.06494	2.8
132.08080	0.7
142.06531	26.4
143.06895	2.1
157.07648	0.7
159.09193	14.4
160.04022	0.4
160.09512	0.7
161.04726	1.3
162.05486	0.4
172.03908	0.4
186.05550	4.5
187.05927	0.3
203.08202	39.2
204.06664	0.6
204.08537	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1125
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
53.82346	0.7
57.03309	2.8
59.01252	15.8
65.01308	1.7
69.03326	0.6
70.14007	1.4
70.14398	1.6
71.01244	0.6
73.02819	3.0
79.05410	5.0
79.75327	0.6
81.03300	1.4
83.04889	2.7
85.02825	4.0
85.06468	5.1
91.02890	0.7
95.02357	0.7
95.04917	1.5
97.06472	7.9
99.04410	3.6
99.08014	2.4
109.06470	13.7
111.08046	3.6
119.08550	30.2
120.08897	1.9
125.09609	1.1
127.07545	2.3
130.04022	0.9
132.05568	1.9
133.04002	0.7
133.05104	0.8
135.08041	2.1
137.09624	6.5
139.11185	86.2
140.11545	5.0
141.93578	0.8
143.08583	2.9
144.96846	0.7
145.06468	2.9
153.09123	2.7
155.10695	0.7
157.10097	1.6
157.12253	2.3
158.03593	0.7
158.89209	0.9
159.11696	20.8
160.05067	1.3
160.12070	1.6
161.05899	0.6
171.08057	1.6
173.13248	1.1
174.06566	1.0
175.06076	1.1
183.10199	4.1
183.11729	2.6
185.09630	12.4
186.10410	4.1
201.02238	1.8
201.11229	100.0
201.12813	96.4
202.11560	7.6
202.13171	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	201.0248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.4
59.01251	100.0
60.01587	1.2
65.09534	0.3
68.39502	0.4
69.37723	3.5
75.38261	0.4
87.04411	0.5
87.92413	0.5
99.92474	3.2
101.92382	1.4
103.91881	0.5
111.00708	0.3
117.00323	0.6
125.09647	0.7
128.87701	0.6
128.94757	0.6
130.04024	0.3
132.05580	0.8
139.11232	1.3
141.86719	10.7
141.93524	2.6
145.02806	0.6
146.95802	0.8
156.95842	1.1
157.03471	1.1
157.95370	0.8
158.02434	0.4
158.89252	1.1
159.01410	5.2
159.87790	13.1
159.89255	1.2
160.01514	0.6
162.24759	0.3
167.96254	0.4
173.06023	0.9
174.06694	0.9
183.10135	0.5
186.06764	0.4
193.36397	0.3
200.98596	0.5
201.02499	8.5
201.05600	1.5
201.07486	0.5
201.11230	2.5
201.14877	0.6
201.87875	0.3
201.94357	0.5
202.02695	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37295	0.2
59.01252	100.0
60.01591	0.9
65.01327	0.5
71.13149	0.7
79.99232	0.2
83.04886	0.3
87.00755	0.3
95.01271	0.5
97.02848	0.9
99.04339	0.3
121.02855	0.6
123.00789	1.4
125.02377	0.4
130.03992	0.4
131.03578	0.4
135.11700	0.7
137.02373	0.5
137.09567	0.4
138.03110	0.4
143.03535	0.3
151.11235	0.4
153.01877	0.3
153.05484	0.3
153.09212	0.4
156.05647	0.3
157.05101	0.6
160.25334	0.3
165.01797	0.5
166.99786	1.2
170.03534	0.4
171.03055	0.5
171.06685	0.6
182.02188	1.9
197.04601	0.9
197.08255	0.6
197.11748	7.0
197.15436	1.1
198.07796	0.5
198.12143	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0241
Annotation	3-Carboxymethylmuconate
Peak:m/z	Relative Intensity
55.01756	5.0
58.03840	2.0
59.01248	3.4
65.00202	16.2
67.01765	20.4
68.99689	4.2
69.03333	12.7
71.01263	3.1
71.57204	3.1
72.99162	3.5
79.01770	3.4
80.81526	2.2
81.03322	3.4
83.01254	8.7
84.25317	2.2
95.01267	43.3
96.99216	2.8
97.02250	3.6
97.02831	50.3
99.04353	2.2
111.00772	47.1
122.11657	2.3
123.00771	35.6
125.02301	3.6
127.03883	3.8
137.09637	2.7
138.99228	4.6
139.00267	59.8
140.01071	23.6
141.01520	2.4
150.91177	2.3
153.01843	89.5
154.02208	6.1
155.03386	7.4
155.10646	4.8
165.98927	2.2
166.99774	88.9
168.00108	3.2
171.04434	3.3
181.01346	100.0
182.01637	6.4
185.00853	12.8
199.02362	9.1
199.03951	5.4
199.09628	3.1
199.13306	11.8
199.17004	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	197.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.4
68.99672	0.2
69.03325	2.4
70.90955	0.3
70.91280	0.5
71.01254	0.5
83.04897	1.4
83.51202	0.3
97.06491	0.4
108.95207	0.3
109.02862	0.4
111.04446	0.3
118.61273	0.2
121.02836	0.5
123.00768	1.4
123.08061	0.6
125.09631	0.4
130.99141	0.3
138.03131	0.4
141.09096	1.6
142.45512	0.3
151.11194	1.1
153.05402	0.3
153.09102	2.1
153.12764	4.9
154.13257	0.3
162.83812	0.7
166.99808	1.2
167.81528	0.3
169.12262	21.7
170.12631	1.8
179.10684	2.3
182.02133	2.4
197.11768	100.0
198.12099	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	197.1176
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
50.14188	0.3
55.01751	0.5
57.03322	0.5
59.01255	0.5
61.98701	0.8
62.11309	0.3
69.03329	0.9
70.81203	0.9
71.04898	1.3
83.04897	0.5
93.03331	0.3
95.01260	0.6
95.04929	0.3
97.06467	16.2
98.06816	0.6
99.08033	4.4
99.08649	0.5
107.04912	0.3
109.02847	0.6
109.06469	0.8
111.08017	0.4
112.01537	0.4
116.92715	0.9
121.02832	0.6
122.03638	2.5
123.00767	2.3
123.04417	0.4
125.02359	0.6
125.09622	1.1
126.03111	0.9
135.08089	0.4
137.09631	2.2
138.03122	0.7
144.58800	0.3
151.11195	1.0
153.01907	0.3
153.05528	0.7
153.12761	100.0
154.13100	8.1
154.91330	0.3
162.83824	1.0
166.99780	2.2
169.12207	0.4
171.06723	0.5
178.99818	0.3
179.10699	22.2
180.11070	1.6
182.02150	3.5
182.05670	0.3
197.04477	1.0
197.06139	0.6
197.08142	0.9
197.09935	0.6
197.11780	6.8
197.15453	1.0
197.80792	0.4
198.12106	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1177
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
57.30631	0.6
59.01245	2.2
69.03325	2.3
71.36729	1.2
77.47330	0.6
81.03290	0.5
83.04894	1.9
95.01254	1.2
106.69613	0.5
109.02859	0.6
112.01595	1.5
121.02870	0.9
123.00752	3.0
125.05968	0.9
125.78243	0.5
127.14724	0.6
130.04033	0.6
131.19789	0.5
138.03075	1.1
141.09132	1.2
151.11201	1.6
153.01892	0.5
153.05484	0.6
153.09180	1.8
153.12775	5.1
158.91510	0.5
166.99817	3.2
169.12263	21.1
170.12607	1.5
171.06746	0.9
172.64043	0.6
179.10681	2.4
182.02153	4.9
183.96719	0.5
197.11775	100.0
198.12105	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	197.1176
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
59.01246	1.1
69.03324	2.7
69.31387	3.6
81.83157	0.3
83.04899	1.5
85.06476	0.6
86.10256	0.3
95.01287	0.5
97.06503	0.5
109.02814	0.5
113.86841	0.3
123.00765	1.1
123.08064	0.4
138.95769	0.3
141.09135	1.1
151.11157	0.8
153.09126	1.6
153.11606	0.5
153.12753	5.4
166.99791	0.8
169.12254	20.7
170.12636	1.2
179.07491	0.3
179.10664	2.3
182.02089	1.4
197.11766	100.0
198.12129	8.0
209.13849	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0449
Annotation	Danshensu
Peak:m/z	Relative Intensity
58.80316	0.7
59.01255	1.8
59.04760	0.7
65.01311	1.2
65.03846	0.8
69.03330	0.9
70.59131	1.7
71.01263	2.3
72.99187	18.7
81.03329	1.7
83.04895	1.1
83.98066	0.7
85.02816	1.8
88.05759	0.8
90.22086	0.7
91.05406	2.0
91.56941	0.6
93.03348	2.8
95.01254	1.2
95.04903	2.8
97.02882	0.7
97.06485	0.7
99.04400	1.9
107.04913	7.4
108.02059	9.6
109.02836	5.5
111.04412	1.4
117.03297	1.1
118.68526	0.7
119.04951	1.3
121.02838	2.4
122.03630	9.1
123.00791	2.0
123.04422	43.2
124.04752	1.5
125.02295	1.5
125.06011	1.0
134.03638	12.7
135.04420	100.0
136.04742	6.1
137.02348	4.5
138.03046	0.7
140.01117	0.7
151.00385	0.8
151.03920	31.1
152.04239	1.9
153.01804	1.2
153.05501	6.1
153.09132	1.3
156.10593	0.8
157.05066	1.9
164.24997	0.9
166.99771	2.2
179.03435	29.6
180.03790	1.1
182.02200	3.9
183.01791	0.8
197.04494	57.7
197.11813	1.8
198.04784	4.6
198.07713	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0602
Annotation	3,4-Dihydroxyfluorene
Peak:m/z	Relative Intensity
54.20185	1.7
57.03320	2.3
59.01250	8.2
59.06886	1.8
61.47494	1.8
61.98702	9.7
62.71753	1.9
64.01776	1.9
69.03312	2.1
69.43585	17.7
86.76477	1.7
87.59213	1.7
90.84115	1.7
95.01257	5.8
96.95901	1.6
97.02826	3.6
97.06474	2.1
109.02839	3.8
112.01515	2.4
116.92744	20.6
117.92753	2.7
121.02859	2.4
123.00782	18.8
125.02343	3.2
126.90323	4.0
130.99156	4.3
137.02362	2.8
138.03082	3.9
150.13255	1.8
153.05467	4.5
153.09164	2.8
153.12781	7.1
154.91246	3.1
160.84129	5.8
162.83827	20.6
166.99771	15.3
169.06592	3.6
182.02126	33.0
192.52007	1.8
196.98433	2.4
197.04497	5.8
197.06029	100.0
197.08072	9.0
197.10051	3.2
197.11722	17.7
197.15402	6.0
197.80739	8.8
197.90193	2.1
198.04103	2.5
198.06372	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	195.1384
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
55.25773	0.2
59.01227	0.3
60.78195	0.2
69.88840	1.3
70.87870	0.2
81.03342	0.2
109.06477	5.1
111.08050	3.6
122.03636	0.6
125.09608	1.0
135.11699	0.5
138.06747	0.6
150.03159	0.4
151.03928	0.3
151.07556	0.2
151.11205	0.7
152.91650	0.7
155.07101	0.3
160.84143	0.3
165.01799	0.3
165.05557	0.3
165.12697	0.3
167.14337	7.1
167.90419	0.2
168.14670	0.7
179.10713	5.3
180.04190	0.5
180.11179	0.6
183.16553	0.2
194.92812	0.3
195.13841	100.0
196.14183	8.5
196.15990	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0608
Annotation	3,4-Dihydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
59.01243	1.3
64.92680	1.2
70.59115	4.4
72.00773	4.6
74.02342	1.9
81.03322	2.9
84.01526	1.4
91.05417	1.3
93.03324	1.7
98.20470	1.4
100.09306	1.4
107.04900	5.4
108.02074	6.7
109.02847	10.4
111.32613	1.2
121.02828	4.4
122.03617	16.3
123.00755	2.8
123.04421	25.4
127.18407	1.1
134.03633	9.7
134.05983	7.4
135.04414	100.0
136.01610	1.5
136.04750	4.7
137.02322	4.8
139.03882	1.4
145.67946	1.3
150.05498	4.8
152.07077	71.1
153.07420	5.3
154.02644	1.3
166.99744	2.8
178.05054	3.6
179.03442	8.2
182.02119	4.5
196.06076	60.8
197.06412	2.9
197.08156	1.3
197.11710	2.2
200.46416	1.3
209.71091	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0657
Annotation	3,5-dimethylorsellinic acid
Peak:m/z	Relative Intensity
57.03323	1.1
59.01254	3.1
59.18478	0.3
61.98703	0.8
65.00190	2.8
66.03372	0.6
67.01767	0.6
69.00648	0.3
69.55301	0.4
71.01251	0.5
73.02817	0.4
75.00758	1.0
78.95770	0.7
81.03332	18.8
82.03663	0.6
83.01254	2.5
85.02812	0.8
85.06457	2.6
86.06858	0.4
87.04396	2.9
95.01272	0.7
96.95872	0.4
98.02373	0.4
103.02745	0.5
107.01274	1.5
107.04897	0.9
108.02069	0.6
109.02849	0.6
109.06484	9.7
110.06795	0.5
111.04410	13.5
112.04820	0.5
116.03153	0.3
121.02884	0.7
122.03663	0.7
123.00781	1.0
123.04402	0.6
123.08064	0.5
124.01555	1.2
125.02342	6.2
127.07558	1.6
129.49728	0.4
133.06487	3.0
135.04393	0.8
136.05214	3.3
137.02388	0.7
138.19057	0.3
140.12233	0.3
150.03139	2.0
151.00253	1.8
151.07556	87.5
152.01028	0.7
152.07916	6.1
152.91667	6.6
152.94370	0.7
153.05423	0.7
160.84090	0.6
163.04907	0.6
165.01872	1.3
165.05484	1.1
167.03357	0.4
167.07056	0.4
167.90417	2.6
169.05080	0.6
170.92720	0.6
177.05499	3.3
180.04201	2.1
194.91174	0.4
194.92691	2.4
195.06566	100.0
196.06926	7.5
212.93716	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0655
Annotation	3,5-dimethylorsellinic acid
Peak:m/z	Relative Intensity
51.65099	0.3
57.03330	1.5
59.01253	2.2
63.02279	0.4
64.88912	0.3
65.00195	3.3
67.01757	0.5
71.59931	0.3
71.60290	0.4
75.00742	0.5
80.02563	0.4
81.03333	21.4
82.03674	0.7
83.01253	3.0
83.04925	0.3
85.06464	5.2
87.04387	3.0
103.65712	0.3
107.01274	1.5
107.04930	0.8
108.02017	0.5
109.06477	12.1
110.06799	0.6
111.04407	16.9
112.04697	0.6
121.06510	0.5
123.04374	0.4
123.08031	0.4
123.75503	0.3
124.01563	1.3
125.02345	9.7
126.02643	0.4
127.07561	2.4
133.06512	2.5
136.05219	3.9
149.05966	0.4
150.03166	0.5
151.00296	2.6
151.07556	94.3
152.01079	1.6
152.07899	5.9
153.05478	0.8
165.01825	0.8
177.05525	3.1
195.06566	100.0
196.06938	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	195.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.3
59.01253	2.2
63.02259	0.7
65.00189	3.0
69.33146	3.5
69.33552	0.8
75.00766	0.6
81.03330	16.0
82.03694	0.5
83.01244	2.7
85.06461	3.2
87.04397	2.6
107.01268	2.1
107.04938	0.9
108.02033	0.4
109.06473	8.3
110.06801	0.5
111.04407	16.3
112.04761	0.6
121.06597	0.4
123.00831	0.4
124.01566	1.0
125.02351	5.9
127.07520	1.8
133.06491	4.1
135.04416	0.4
136.05208	3.7
150.03076	0.4
151.00276	3.2
151.07555	65.9
152.01013	0.8
152.07889	3.7
153.05434	1.0
165.01860	0.5
177.05511	4.0
178.05971	0.5
180.04230	0.4
195.06567	100.0
196.06905	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	195.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	2.9
59.01258	2.8
63.02293	0.6
65.00196	4.5
67.01773	1.0
69.03328	1.3
69.36144	0.5
70.26103	1.6
71.25530	0.5
75.00755	3.3
80.02569	0.6
81.03334	28.6
82.03674	0.9
83.01270	4.2
85.06466	3.6
87.04398	2.9
94.25864	0.5
97.02849	0.5
98.19904	0.5
107.01265	4.0
107.04936	0.8
109.02889	0.7
109.06480	12.9
110.06822	0.5
111.04408	20.1
112.04744	0.9
121.02879	1.2
122.03621	6.8
123.00761	0.7
123.04459	0.9
123.08039	0.6
125.02361	9.3
125.03322	0.6
127.07542	1.1
129.01865	0.6
133.06496	0.9
136.05188	0.7
137.02365	0.9
149.05975	0.6
150.03119	2.0
151.00291	6.1
151.07559	100.0
152.07904	7.0
153.05466	1.1
162.03127	0.9
165.01801	0.7
165.05493	0.8
169.05054	0.9
177.05487	2.7
180.04214	1.0
180.59369	0.5
195.06567	98.0
196.06908	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	195.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65099	0.3
57.03330	1.5
59.01253	2.2
63.02279	0.4
64.88912	0.3
65.00195	3.3
67.01757	0.5
71.59931	0.3
71.60290	0.4
75.00742	0.5
80.02563	0.4
81.03333	21.4
82.03674	0.7
83.01253	3.0
83.04925	0.3
85.06464	5.2
87.04387	3.0
103.65712	0.3
107.01274	1.5
107.04930	0.8
108.02017	0.5
109.06477	12.1
110.06799	0.6
111.04407	16.9
112.04697	0.6
121.06510	0.5
123.04374	0.4
123.08031	0.4
123.75503	0.3
124.01563	1.3
125.02345	9.7
126.02643	0.4
127.07561	2.4
133.06512	2.5
136.05219	3.9
149.05966	0.4
150.03166	0.5
151.00296	2.6
151.07556	94.3
152.01079	1.6
152.07899	5.9
153.05478	0.8
165.01825	0.8
177.05525	3.1
195.06566	100.0
196.06938	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	194.0744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.4
57.03323	7.1
58.00460	1.7
58.03625	1.4
59.01248	32.0
60.01574	6.1
68.99660	1.7
69.03335	5.0
70.03657	5.2
70.60862	3.8
71.01256	29.9
72.01585	11.0
72.99186	10.1
73.02820	13.9
73.99508	1.6
74.03165	8.2
75.00745	100.0
78.95783	2.5
82.03692	1.6
83.01269	7.7
84.01590	3.8
85.02815	20.5
85.99954	1.8
86.03147	14.4
87.00299	2.9
87.00769	21.9
88.01076	6.1
89.02318	8.8
92.84833	1.4
95.01279	2.5
96.01585	4.1
96.96847	3.1
97.02848	7.1
98.03176	8.9
99.00751	16.8
100.01072	9.2
101.02324	21.9
102.02658	20.3
103.36388	1.3
105.01804	3.2
108.04386	2.6
111.00756	3.9
114.02654	2.8
121.02795	1.9
125.02377	2.1
126.02684	6.5
129.01839	23.4
132.03711	2.5
141.01782	4.9
142.02187	5.6
146.62787	1.6
156.03726	5.7
156.57932	1.6
159.02901	9.9
161.04417	5.5
162.04784	20.7
163.04901	3.5
165.01747	2.6
165.05415	1.8
173.31126	1.4
176.06430	3.0
177.03949	3.5
180.04198	4.2
192.05949	1.5
194.07521	10.8
195.05031	49.0
195.06757	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	195.0503
Annotation	D-Altronate
Peak:m/z	Relative Intensity
52.24725	0.7
57.03323	4.3
59.01252	22.6
60.65997	0.6
68.99674	1.2
71.01255	10.9
71.27400	1.5
71.27747	0.6
72.99181	8.7
73.02839	0.6
73.27629	0.6
75.00748	100.0
76.01080	1.5
78.95790	0.8
82.74114	0.5
82.83958	0.5
83.01265	1.7
84.02029	0.9
84.86444	0.6
85.02822	7.1
87.00761	10.3
89.02319	8.1
96.96863	0.7
99.00764	7.4
101.02345	1.7
105.01814	2.4
111.00767	3.1
113.02324	0.7
129.01836	22.5
130.02205	1.2
141.01839	2.1
147.02853	1.1
159.02859	6.0
162.51830	0.6
177.03993	4.3
195.05035	35.9
196.05339	2.0
200.90292	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.8
59.01261	0.9
65.56945	0.3
71.01248	0.6
71.57172	0.5
72.89471	0.3
74.62737	0.3
75.00748	2.8
81.03286	0.3
93.03339	3.7
95.01273	0.6
107.04929	0.3
108.02065	0.4
121.02837	5.4
122.03633	15.5
123.00800	0.8
123.04425	0.6
124.01562	0.8
129.01817	0.6
133.02864	1.2
135.04485	0.4
135.58907	0.3
136.01558	1.8
136.05272	0.4
136.98714	0.4
137.02353	0.7
139.00275	1.0
149.02351	22.8
150.03130	100.0
151.03464	5.3
164.04674	3.4
165.05486	76.4
166.05829	5.1
166.99760	1.6
167.03369	0.4
180.04190	8.0
181.04556	0.6
194.99301	0.6
195.02904	1.2
195.05005	1.2
195.06589	4.4
195.13840	0.4
206.87459	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81037	1.2
54.81636	1.2
55.01756	12.3
57.03324	9.3
58.00476	4.8
59.01250	59.8
60.01566	1.6
67.01791	1.5
68.99696	1.9
69.03331	20.5
70.69569	4.4
71.01254	72.8
72.01600	1.9
72.99176	9.2
73.02821	64.4
74.03161	1.7
75.00765	2.0
79.01762	2.5
81.03338	5.6
83.01260	30.0
84.02072	1.6
85.02824	72.9
85.99969	10.9
86.03165	3.1
87.00752	51.9
89.02323	4.7
95.01255	13.9
97.02838	27.0
99.00760	50.3
100.01109	1.9
101.02325	100.0
102.02682	3.0
111.00710	6.9
112.01562	4.9
113.02339	17.4
115.03941	2.6
117.01820	1.5
121.02842	1.7
123.00809	5.3
124.01517	1.7
125.02335	23.2
126.02741	1.5
127.03895	2.2
131.03445	2.0
134.03659	4.9
140.01082	6.3
141.01837	17.4
142.02597	2.5
155.03409	14.2
157.05026	2.1
159.02925	3.2
161.04468	87.3
162.04863	3.6
174.82069	1.2
175.06070	4.1
175.48268	1.5
178.02689	4.8
191.05562	2.5
193.01329	1.5
193.07161	46.0
193.08524	2.2
194.07634	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0862
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
51.54686	0.3
53.86107	0.3
55.01752	1.9
57.03318	1.7
58.00485	1.0
59.01253	9.5
65.00219	0.3
67.01771	0.4
68.99718	0.3
69.03326	3.8
71.01257	13.4
71.57819	0.5
71.93433	0.4
72.99184	1.9
73.02821	11.3
75.00770	0.4
79.01799	0.4
81.03340	1.5
82.04015	0.5
83.01260	4.5
83.02393	0.4
85.02824	13.9
85.99955	2.1
86.03195	0.5
87.00755	10.2
89.02347	0.7
93.03317	0.5
95.01257	2.9
97.02828	5.4
98.00094	0.3
99.00762	11.6
101.02324	17.3
107.04940	0.7
109.02860	1.6
110.03441	0.3
111.00789	1.4
112.01585	0.7
113.02337	3.7
115.03923	0.6
117.01828	0.5
121.02863	1.0
123.00801	1.3
124.01610	0.4
125.02351	5.4
127.03930	0.6
134.03632	2.9
135.04419	30.6
136.01500	0.3
136.04736	1.7
137.02357	1.6
140.01082	1.4
141.01849	4.5
142.02579	1.1
149.05992	1.3
150.03108	0.5
155.02267	0.4
155.03421	2.4
157.04938	0.3
159.02884	0.9
161.02365	0.7
161.04468	16.6
162.04863	0.5
163.03922	100.0
164.03017	0.2
164.04266	6.6
164.05557	0.7
165.01833	0.6
170.12767	0.3
175.06079	1.0
177.98990	0.5
178.02769	4.7
178.06271	54.1
179.03374	0.7
179.06621	3.9
181.75854	0.3
191.05556	0.4
193.01363	4.6
193.03098	0.5
193.05055	1.8
193.07088	7.9
193.08670	5.2
194.07426	0.5
194.09027	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	11.2
55.29780	1.9
57.03326	10.3
57.33838	1.7
58.00463	5.4
59.01251	41.4
68.99694	3.2
69.03325	25.3
70.76973	4.0
70.77353	4.2
71.01254	67.0
72.99176	8.2
73.02816	68.4
76.37837	2.0
79.01727	2.2
81.03334	9.0
83.01255	27.6
84.02027	3.1
85.02824	81.5
85.99952	11.5
87.00226	3.0
87.00755	58.7
88.01051	2.1
89.02322	4.7
89.86520	1.8
95.01252	14.6
97.02243	3.2
97.02830	34.9
99.00758	67.8
101.02325	90.5
107.01247	2.0
111.00751	8.3
112.01569	3.7
113.02327	19.6
115.03877	4.1
117.01820	4.0
117.03329	3.2
121.02791	2.3
123.00743	7.9
124.01566	2.8
125.02334	26.5
127.03904	2.4
129.01846	2.6
131.03386	5.7
134.03638	60.7
135.03976	2.3
137.02353	3.6
140.01045	6.1
141.01843	26.5
142.02579	6.7
149.05983	5.4
155.03426	14.5
159.02916	4.9
161.04463	100.0
162.04836	5.6
175.06030	8.9
178.02641	15.5
183.91020	2.4
191.05481	2.8
193.05038	9.4
193.07098	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	11.0
57.03326	13.9
58.00471	5.8
59.01253	59.5
69.03329	23.5
70.97432	2.8
71.01254	81.5
71.25554	4.7
71.25873	3.3
72.01566	3.8
72.99190	19.1
73.02819	77.4
75.00728	3.3
81.03352	5.2
83.01261	26.9
85.02821	100.0
85.99963	7.7
86.03146	5.2
87.00755	59.1
89.02320	9.0
95.01269	21.0
97.02827	38.4
99.00758	66.5
99.01350	6.0
100.01086	3.4
101.02316	92.6
102.02650	4.3
103.00243	4.1
103.80249	3.0
104.24110	2.9
111.00785	9.6
112.01595	3.6
113.02339	20.5
115.03905	6.1
123.00768	6.4
125.02331	31.2
131.03378	10.7
140.01027	11.0
141.01840	30.3
141.12038	2.7
142.02629	5.1
155.03397	11.2
161.04462	93.8
162.04799	5.7
175.05992	11.1
191.05508	3.8
193.07219	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	4.5
57.03325	5.2
58.00464	2.5
59.01253	21.6
60.03012	0.6
64.25248	0.6
68.99688	0.9
69.03332	10.4
70.03667	0.8
70.34555	1.1
70.34959	2.1
71.01256	26.5
72.01580	0.7
72.99190	4.7
73.02824	24.1
75.00732	1.3
79.01778	0.8
81.03335	3.2
83.01258	11.2
84.02029	1.4
85.02827	34.5
85.99981	4.7
86.03183	0.8
87.00224	1.1
87.00753	22.7
87.04351	0.6
89.02321	1.9
89.03844	5.3
95.01257	4.6
95.04923	0.8
97.02834	12.9
98.19810	0.8
99.00761	23.4
99.04420	0.7
100.01055	0.9
100.01628	0.7
101.02326	30.6
102.02637	1.0
106.04121	1.4
107.01212	0.7
107.97192	0.5
109.02841	1.1
111.00767	4.6
112.01569	2.0
113.02354	6.0
115.03881	1.1
117.01855	1.4
117.03353	6.9
121.02824	0.9
123.00756	2.2
124.01572	1.4
125.02339	10.9
127.03855	0.9
129.01845	0.9
131.03378	3.4
133.02873	2.9
134.03638	100.0
135.03970	5.3
137.02357	6.8
139.03915	3.4
140.01088	3.1
141.01840	9.3
142.02477	1.4
149.02354	0.7
149.05992	8.3
150.03114	1.1
150.06352	0.7
155.03426	5.5
157.05025	0.8
159.02832	1.3
161.04472	27.6
162.04784	1.1
170.11485	0.6
170.54057	0.6
175.06039	5.3
178.01163	1.4
178.02652	19.9
178.04227	1.0
179.02989	1.2
188.05800	0.7
191.05533	1.1
193.05028	10.5
193.07130	21.4
193.08829	1.3
194.05647	0.6
194.07611	1.3
202.88617	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0345
Annotation	3-Deoxy-arabino-hexaric acid
Peak:m/z	Relative Intensity
55.01754	3.4
57.03316	6.5
57.35647	1.7
58.00463	4.5
59.00948	4.3
59.01249	84.8
69.03336	5.9
69.41568	5.6
69.41986	11.5
71.01254	62.5
72.99184	100.0
73.02826	36.1
75.00739	3.4
78.76279	1.8
79.13232	1.8
83.01257	10.7
84.02053	2.3
85.02827	70.4
87.00754	10.8
89.02314	16.0
93.03333	2.1
94.02863	1.9
95.01270	14.9
95.35559	1.7
97.02814	3.5
99.00756	12.5
101.02326	40.5
103.00262	19.2
113.02335	77.3
114.02666	3.2
115.76500	2.1
123.00754	3.0
125.02274	4.4
129.01834	3.2
131.03387	7.6
133.01337	4.2
134.03648	11.8
137.02318	6.7
141.01834	2.9
155.03391	2.9
157.01329	5.5
161.04485	11.9
178.02646	3.9
178.06293	3.4
193.01364	5.4
193.03381	5.2
193.05011	3.5
193.07100	7.6
193.08669	2.2
194.00902	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	193.0346
Annotation	3-Deoxy-arabino-hexaric acid
Peak:m/z	Relative Intensity
50.45578	2.6
55.01764	7.1
57.03325	8.3
58.00483	3.8
59.01252	87.8
69.37275	33.0
69.37613	6.5
71.00888	5.7
71.01255	68.4
71.75973	3.1
72.99181	100.0
73.02821	41.1
73.07416	3.1
73.40866	2.9
75.00763	3.8
83.01269	9.0
85.02823	62.9
87.00756	11.7
89.02324	20.4
91.84786	3.5
95.01272	17.1
97.02856	7.5
98.19829	5.7
99.00769	18.9
101.02325	35.9
103.00249	18.3
107.04570	3.4
109.55599	3.0
113.02338	78.4
114.02634	3.5
117.03351	4.8
123.00744	4.7
129.01817	3.7
131.03378	5.3
133.01292	4.9
134.03612	29.7
141.01842	4.5
155.03391	3.5
157.01413	3.5
158.72775	2.9
161.04414	17.8
178.02647	5.4
193.01309	7.0
193.03407	5.4
193.05112	4.9
193.07072	10.2
193.96860	3.4
194.00729	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	193.0135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15118	0.3
52.53013	0.3
57.03311	0.3
57.33680	0.4
59.01244	1.9
67.01755	1.0
69.03329	1.1
69.89166	2.1
71.01260	3.3
72.99191	0.5
73.02819	2.0
81.03333	0.5
83.01247	1.4
84.01972	0.4
85.02811	3.4
87.00751	1.9
91.01780	0.5
93.03324	3.8
95.01276	0.6
97.02823	1.1
99.00748	2.6
101.02318	3.1
109.02831	11.8
110.03156	0.6
111.00735	0.4
119.01281	1.4
121.02834	8.6
123.00752	0.5
123.04408	0.3
125.02301	0.9
134.03612	0.5
135.00732	0.4
137.02341	27.0
138.02728	0.8
140.01044	0.4
141.01836	0.6
147.00813	1.9
155.03363	0.9
161.04440	2.3
165.01843	17.2
166.02165	0.8
175.00282	3.7
178.02658	0.7
193.01344	100.0
193.07126	1.3
194.01704	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	193.0136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40408	0.2
55.01761	0.5
57.03313	0.9
58.00475	0.2
59.01250	4.0
60.88407	0.2
65.00204	0.6
65.03850	0.4
67.01754	1.1
68.99701	0.4
69.03328	3.0
69.40606	0.2
69.91453	0.3
69.91869	1.0
71.01255	7.0
72.99180	1.2
73.02818	5.6
75.00754	0.4
79.01775	0.5
81.03340	1.3
83.01259	2.3
85.02827	7.6
85.99968	1.0
87.00750	5.3
89.02328	0.5
91.01807	0.4
93.03339	3.8
95.01248	1.7
97.02834	2.9
97.41212	0.2
99.00765	5.6
101.02324	7.6
106.62515	0.2
107.01289	0.4
108.02047	0.4
109.02840	11.4
110.03133	0.3
111.00780	0.9
112.01568	0.5
113.02330	1.7
115.03950	0.3
117.01849	0.4
117.03326	0.3
119.01274	1.1
121.02843	9.0
121.06480	0.2
122.03169	0.5
123.00771	0.8
123.01653	0.2
123.04372	0.5
124.01485	0.2
125.02345	2.7
126.02761	0.2
131.01370	0.3
131.03442	0.2
133.02875	0.6
134.03633	10.2
135.00800	0.4
135.03889	0.4
137.02348	28.8
138.02670	1.4
139.03868	0.4
140.01080	0.7
141.01854	2.2
142.02594	0.4
147.00784	2.5
149.02356	0.6
149.05966	1.4
150.03075	0.4
151.00267	0.3
155.03412	1.5
159.02890	0.3
161.04471	7.9
161.05818	0.4
162.04790	0.3
165.01848	20.5
166.02126	1.1
175.00298	4.5
175.06059	0.5
176.00710	0.3
177.99167	0.3
178.02658	5.5
179.03079	0.4
183.02969	0.5
191.05460	0.2
192.00615	0.3
193.01357	100.0
193.07111	3.9
194.01694	7.0
194.04407	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73721	0.2
56.00132	0.2
57.03326	0.6
59.01260	1.5
59.74216	0.2
66.13984	0.2
67.01752	0.5
69.03316	0.3
70.09604	0.7
70.10014	0.6
71.01261	1.3
73.02827	0.8
81.03350	0.3
83.04906	0.6
85.02830	12.4
86.03169	0.3
87.00761	5.7
93.03346	3.6
98.20454	0.3
99.00785	0.3
99.04411	0.6
101.02332	0.3
104.02554	1.8
107.48981	0.2
109.02866	0.7
111.00771	7.0
111.04401	1.1
119.01295	0.3
119.04907	2.3
121.02853	100.0
122.03178	4.9
127.03917	1.9
129.01755	0.4
135.04472	0.3
135.62967	0.2
139.05647	0.3
147.00842	0.3
147.03287	0.5
147.04436	7.2
148.01540	1.6
148.04826	0.5
155.03409	0.3
163.03967	0.4
171.02911	0.7
173.04497	0.6
176.01088	7.6
177.01480	0.4
191.01891	0.7
191.03503	6.7
191.05560	34.1
191.10701	0.7
192.03918	0.5
192.05956	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	191.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
65.17198	5.6
71.23396	12.3
83.04877	6.7
85.02814	53.7
87.00752	12.4
93.03339	11.8
104.24226	5.4
106.56778	5.4
109.02870	5.6
111.00767	10.8
127.03879	8.4
148.28969	5.5
171.02931	6.9
191.05537	100.0
195.79106	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	191.0554
Annotation	2D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone
Peak:m/z	Relative Intensity
52.71249	0.4
57.03323	5.4
59.01249	5.3
67.01765	2.4
68.38021	0.4
68.82274	0.4
69.03313	1.0
69.29895	0.4
70.77733	0.4
71.01257	2.8
71.15038	1.2
73.02829	1.3
73.76555	0.4
81.03338	1.3
83.04908	1.3
85.02826	50.4
86.03160	1.7
87.00755	35.3
88.01065	0.4
93.03334	9.8
99.04427	0.9
101.02304	0.7
109.02847	2.3
111.00765	54.4
111.04398	3.7
112.01114	1.8
113.02312	0.6
127.03912	7.1
129.01839	2.7
137.02357	0.5
154.95056	0.5
171.02905	1.9
173.04434	2.0
186.26979	0.5
191.01990	4.5
191.05542	100.0
192.05885	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	191.0554
Annotation	2-epi-Valiolone
Peak:m/z	Relative Intensity
50.01085	0.4
57.03337	2.2
57.03563	0.4
57.61694	0.4
59.01252	100.0
59.16880	0.4
60.01595	1.3
60.96034	0.4
65.01319	0.5
65.99746	0.7
67.01743	0.5
69.03340	0.8
70.10635	1.0
70.11060	1.5
71.01251	8.1
72.99187	1.1
73.02820	15.3
75.00768	0.5
81.03352	0.4
85.02825	18.0
85.96963	0.4
87.00753	8.1
93.03349	2.3
101.02362	0.6
103.03889	2.7
104.02563	3.5
105.02863	0.4
111.00765	12.0
111.04420	0.7
119.04945	0.7
120.02103	0.6
121.04007	0.6
121.45287	0.4
122.03551	0.6
127.03907	1.2
129.01831	1.0
131.03394	10.9
145.60797	0.4
147.00764	0.5
147.04402	1.1
148.01547	3.2
148.05159	0.5
149.02328	0.6
156.41684	0.5
163.00342	0.8
164.04601	0.7
173.04405	0.6
174.03218	0.4
176.01070	15.6
176.08418	0.7
177.01469	0.9
191.01897	1.2
191.03537	5.5
191.05612	17.3
191.10756	1.5
192.06053	0.6
206.19937	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62930	1.9
61.49619	2.0
69.25581	1.9
69.33228	21.0
69.33556	3.1
81.06557	2.1
81.84914	1.8
84.55626	2.0
85.02824	18.2
87.00763	6.8
93.03329	3.4
97.98072	1.9
106.04125	65.1
107.04440	2.7
108.02044	18.6
111.00772	8.4
138.03127	5.3
147.08055	100.0
148.01547	2.4
148.08362	9.4
176.01108	5.5
191.03679	2.9
191.05544	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	193.0137
Annotation	6,7,8-Trihydroxycoumarin
Peak:m/z	Relative Intensity
57.02796	0.6
59.01231	0.8
62.54547	0.5
65.03825	0.7
65.89725	0.6
66.39704	0.5
67.01753	1.5
68.99745	0.6
69.03321	0.7
71.01268	2.7
73.02808	2.3
83.01307	0.9
85.02839	2.5
87.00738	1.6
93.03336	5.0
95.82668	0.7
97.02822	0.9
99.00764	1.6
101.02334	2.6
109.02842	13.7
119.01294	1.2
121.02843	8.9
125.02382	0.6
134.03662	1.9
135.00813	0.9
137.02350	30.7
138.02727	2.1
147.00792	1.8
155.03462	0.7
161.04457	2.6
165.01851	18.2
166.02185	0.9
171.02748	0.5
175.00304	3.8
178.02579	0.9
184.77310	0.6
193.01367	100.0
194.01691	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	191.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.2
55.71896	0.1
57.03325	7.6
57.29996	0.1
58.00455	0.2
58.03651	0.2
59.01252	3.1
60.99171	0.2
65.03819	0.1
67.01762	2.9
67.60248	0.1
68.02093	0.1
68.99742	0.1
69.03316	0.5
70.57658	0.2
70.93681	0.1
71.01254	1.5
71.04916	0.1
72.99195	0.4
73.02821	0.9
75.00745	0.1
78.46027	0.1
80.01737	0.1
81.03336	0.8
83.01254	0.4
83.04903	0.7
84.02032	0.2
85.02826	51.1
86.03156	1.4
87.00753	53.8
88.01082	1.3
89.52754	0.1
93.03341	5.4
94.03671	0.2
95.01259	0.2
96.02084	0.1
97.02841	0.1
99.00747	0.2
99.04384	0.7
101.02330	0.7
103.00256	0.1
103.03883	0.3
107.09422	0.1
108.02041	0.2
109.02843	1.4
111.00766	100.0
111.04359	1.5
112.01099	4.1
113.02318	0.3
115.03920	0.1
115.44015	0.1
117.01830	0.2
125.02341	0.1
127.03906	3.5
128.04216	0.1
129.01833	5.7
130.02145	0.3
130.99788	0.6
137.02325	0.3
137.03288	0.1
143.03397	0.1
147.02853	0.6
153.01862	0.1
154.99796	0.7
155.03377	0.3
171.02902	0.9
173.00830	1.4
173.04451	1.6
174.04829	0.1
175.39407	0.1
176.01108	0.2
191.01952	8.4
191.05537	59.3
192.02235	0.4
192.05879	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	191.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37722	0.3
53.73435	0.3
55.01741	0.5
57.03326	6.3
59.01249	5.1
60.88501	0.3
60.99164	0.3
67.01759	3.5
69.03330	1.0
70.57959	0.9
71.01254	2.9
72.99164	0.4
73.02820	1.2
81.03327	1.0
83.01264	0.5
83.04903	1.5
84.02036	0.6
85.02827	54.0
85.61961	0.3
86.03166	1.4
87.00755	37.8
88.01105	1.0
93.03338	9.4
97.02871	0.3
99.00787	0.4
99.04411	1.2
101.02329	0.7
104.96989	0.3
105.78514	0.3
109.02838	2.4
111.00768	57.1
111.04393	2.8
112.01107	2.7
113.02336	0.4
127.03053	0.5
127.03914	5.7
129.01840	3.0
130.99773	0.4
143.03447	0.3
147.02870	0.4
154.99783	0.5
155.03375	0.3
171.02921	1.0
173.00806	0.8
173.04439	2.1
191.01991	4.9
191.05545	100.0
191.41917	0.4
192.05882	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	188.0557
Annotation	AminoDHQ
Peak:m/z	Relative Intensity
50.00216	0.5
54.87449	0.3
55.01764	1.7
57.03327	2.3
59.01251	3.4
62.14814	0.3
65.00189	1.4
66.03370	0.9
67.01746	1.2
68.01286	17.2
68.99683	1.4
69.03333	0.7
71.01256	12.2
71.57274	0.5
71.57728	0.4
72.99184	3.3
73.02814	6.2
80.01276	1.8
80.04900	0.3
81.02079	0.6
81.03338	0.5
82.02857	1.8
82.12437	0.3
82.98792	0.3
83.01258	3.0
83.04912	0.6
83.46107	0.3
84.85423	0.4
85.02824	71.4
86.03162	2.4
87.00751	100.0
88.01087	2.2
89.02317	46.1
90.02653	1.0
92.95860	2.0
95.01235	0.9
96.00824	0.6
96.99207	0.4
98.02355	44.5
98.06030	0.4
99.00754	3.1
99.02689	1.4
99.04396	0.6
100.04000	0.3
101.02326	8.1
103.03878	3.3
106.51382	0.4
108.04443	5.5
109.02826	3.3
110.00007	0.3
110.02393	0.5
111.00764	15.5
112.03941	1.9
113.02247	0.4
115.00245	0.7
118.97437	0.6
124.03957	1.0
124.34148	0.4
125.02328	1.1
126.01860	0.8
126.05487	1.0
127.00234	1.4
127.03907	2.9
128.03427	7.0
129.01842	6.0
131.21031	0.4
134.96976	3.0
136.98734	1.1
139.00281	2.5
143.03488	0.3
144.95435	0.4
147.02884	2.3
152.03447	2.1
153.01862	0.9
170.04500	16.0
171.02919	4.1
171.04851	0.7
188.05569	40.6
189.00371	0.6
189.02409	0.6
189.03995	2.3
189.05858	2.1
203.93222	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.1108
Annotation	8-Methylthiooctanaldoxime
Peak:m/z	Relative Intensity
55.18072	0.8
59.98977	0.9
60.97406	6.6
65.01317	2.0
65.99728	1.7
69.66149	6.6
78.74883	0.9
91.02892	1.0
98.19786	1.1
100.07549	3.0
106.03970	1.7
107.02415	1.0
120.04430	0.8
124.11241	2.2
126.09977	0.9
126.12780	24.0
127.13112	0.9
130.04019	0.8
131.19376	0.9
145.05087	1.1
146.03496	1.0
146.07202	1.5
146.66437	0.9
147.06726	1.0
160.11554	13.5
161.04504	1.2
162.06627	1.7
170.11810	5.9
188.11072	100.0
189.01813	1.7
189.07796	1.5
189.11385	6.6
193.04541	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	11.2
59.01252	4.6
59.93195	0.8
61.91085	1.0
67.01752	2.1
70.09012	3.5
71.01237	2.3
72.99187	1.0
83.01234	0.9
83.04921	0.8
83.55201	0.8
84.02065	0.9
85.02823	73.3
86.03136	1.8
87.00752	50.0
88.01071	1.4
88.98776	0.9
93.03359	4.6
94.03635	0.8
99.00757	1.3
103.82699	0.8
104.02558	0.9
111.00764	100.0
111.04421	1.9
112.01107	3.5
112.98672	1.9
127.03891	3.2
129.01834	4.3
148.01549	1.0
153.89505	0.9
173.00894	1.5
173.04427	1.6
176.01054	4.6
185.37614	0.8
191.01968	9.8
191.05539	47.6
192.05920	1.7
213.83960	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0968
Annotation	2-methylbutyl (acetyloxy)acetate
Peak:m/z	Relative Intensity
50.67091	0.7
57.28800	0.8
58.36515	0.8
59.01250	100.0
60.01596	1.9
65.01311	2.9
65.99719	1.4
66.00849	0.9
69.64758	5.7
83.04879	0.9
89.01361	1.0
91.02914	2.1
92.02406	0.9
97.06471	1.5
99.08031	33.6
100.08416	1.2
106.03981	1.7
118.03982	2.1
123.08067	1.3
125.05966	1.2
125.09615	15.8
127.07538	11.1
127.46172	0.8
128.07893	0.9
130.04037	1.1
132.05605	1.4
133.03998	5.2
143.04970	1.4
143.10721	1.1
144.04381	0.9
144.05534	1.5
145.05109	1.8
145.08603	96.9
146.03378	1.4
146.07167	1.0
146.08945	5.0
147.04314	1.6
157.05093	0.9
160.05075	7.3
161.04552	1.6
173.47156	0.9
187.03911	1.8
187.06198	6.1
187.07710	2.3
187.09674	7.5
187.11217	1.4
188.03253	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.0765
Annotation	N2-Acetyl-L-aminoadipate semialdehyde
Peak:m/z	Relative Intensity
57.03324	21.2
59.01247	3.6
66.03360	1.6
69.84601	3.9
73.02824	1.2
74.24920	0.5
82.02856	9.5
83.03172	0.6
84.00783	1.9
84.04420	17.8
91.51700	0.6
96.04452	2.3
96.60590	0.5
97.06465	3.1
98.02344	0.6
98.20525	0.8
101.02352	0.6
105.22009	0.5
111.03141	0.8
112.03931	28.5
114.09151	0.6
122.06022	0.8
124.07574	55.7
125.05977	3.5
125.07943	3.1
125.09600	3.3
140.07072	70.3
141.07446	3.5
142.08636	41.4
143.07039	0.6
143.08968	2.2
166.05064	0.8
168.06578	100.0
169.06900	6.8
184.06096	7.4
186.07646	77.3
187.06369	0.6
187.07967	5.2
187.09630	1.4
198.43686	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.097
Annotation	Nonanedioic acid
Peak:m/z	Relative Intensity
57.03331	4.9
59.01247	3.2
65.01320	3.0
65.99714	1.4
66.00859	0.4
67.02893	0.5
71.01267	0.5
71.59825	0.5
72.99183	0.5
82.68039	0.4
83.04901	1.2
89.01315	0.4
91.02904	1.6
95.04895	0.9
97.06470	12.7
98.06823	0.5
99.08046	0.9
103.00631	0.4
105.04504	0.5
106.03989	0.9
117.04475	0.6
118.04018	0.5
119.02420	1.0
120.05586	0.5
122.03466	0.5
123.08046	6.7
125.09618	100.0
126.09953	6.8
127.07535	0.4
130.03999	0.6
132.05589	0.7
133.03993	2.4
133.04887	0.3
134.03517	0.7
142.04144	0.4
143.06999	0.4
143.10692	2.1
144.04382	1.3
144.05544	0.8
145.03970	0.5
145.05116	1.2
145.08589	3.3
146.03476	1.0
147.04298	1.1
157.05028	0.6
158.03540	0.4
159.04442	0.7
160.05083	5.4
161.03439	0.7
161.04637	1.4
168.88828	0.5
169.08569	2.3
187.03970	1.0
187.06172	4.1
187.09692	36.0
187.11134	1.7
187.13280	1.1
188.04466	0.6
188.05870	0.7
188.10014	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	183.1383
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
57.03321	0.9
59.01248	0.9
67.01781	0.6
69.03324	0.7
71.01242	0.9
71.36247	0.5
71.36572	1.0
95.01295	0.8
109.02838	0.6
111.00745	1.6
111.04467	0.5
111.08073	0.7
112.03940	1.1
124.01582	3.4
124.03937	1.0
124.22478	0.5
137.02313	0.5
139.00325	0.7
139.03912	1.2
139.07541	1.0
139.11195	0.6
140.01019	0.8
142.03996	1.0
143.04750	0.6
151.73260	0.5
152.98155	0.5
156.05600	2.0
157.05118	1.6
165.01868	0.7
168.00545	3.5
183.00429	1.3
183.02965	4.4
183.06670	2.7
183.10455	2.9
183.13834	100.0
184.06168	1.1
184.14165	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	185.0812
Annotation	cis-2-Carboxycyclohexyl-acetic acid
Peak:m/z	Relative Intensity
54.50293	0.4
59.01245	1.9
64.01778	0.4
65.01314	1.6
65.99721	0.6
69.03336	0.7
69.46018	3.5
71.01264	0.5
81.04411	0.4
86.02410	0.4
87.55111	0.4
89.01305	0.4
91.02935	0.4
102.38544	0.4
106.04037	0.5
116.02441	0.8
118.04066	0.4
120.45186	0.3
121.05100	0.6
121.06499	0.6
123.08047	8.3
124.08376	0.5
130.04019	0.5
141.09113	100.0
142.09453	4.9
144.05611	0.5
154.60909	0.4
157.05127	0.5
158.03503	1.7
159.03033	0.6
159.06718	0.9
166.99803	0.6
167.07069	0.5
185.03360	1.2
185.04700	0.7
185.08133	3.7
185.11731	2.9
186.06509	0.5
195.29796	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.0763
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
55.01758	1.7
57.03327	31.7
58.02836	2.6
58.11385	1.1
59.01248	3.6
66.03365	2.0
69.03323	1.0
70.02853	1.3
70.92921	2.9
71.01247	3.4
71.04884	5.0
72.99193	1.9
73.02808	2.6
81.03324	1.6
82.02854	19.5
83.01259	3.6
84.00773	4.6
84.04425	32.4
84.33081	1.2
85.02802	1.3
96.04416	5.5
97.06487	7.9
98.02348	4.0
98.06007	2.5
99.00745	4.8
99.04381	5.7
99.92506	1.1
100.03338	2.1
100.03930	22.8
101.02346	1.9
111.00764	3.5
111.03148	2.3
112.03933	49.8
113.04263	1.6
113.64514	1.0
114.09170	1.4
115.03883	2.2
116.03407	6.3
116.22712	1.1
119.38369	1.1
122.06007	2.1
124.03934	1.2
124.07574	70.1
124.98713	2.2
125.02337	10.9
125.05993	2.9
125.07928	3.3
125.09618	6.4
125.65295	1.0
127.00242	3.1
135.42912	1.0
140.07076	92.2
141.07411	5.4
142.05025	3.0
142.08635	51.7
142.99753	2.4
143.07030	2.2
143.08963	3.5
144.02888	5.2
152.64720	1.1
168.06580	100.0
169.01260	1.5
169.04968	1.3
169.06923	7.0
184.06068	7.7
186.07648	81.4
187.00685	1.1
187.02303	1.9
187.03894	1.2
187.06061	2.8
187.07968	6.0
187.09564	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	183.0291
Annotation	Methyl 3,4,5-trihydroxybenzoate
Peak:m/z	Relative Intensity
50.59824	0.3
51.17520	0.3
65.00199	0.5
67.01756	0.8
68.99681	0.7
71.01260	0.8
71.34377	0.6
72.99168	0.8
82.49540	0.3
83.01263	0.7
83.89349	0.3
84.99294	0.4
95.01239	0.5
101.72124	0.3
109.99993	1.3
111.00767	6.7
116.81425	0.3
123.00734	0.5
124.01546	4.4
125.01904	0.3
127.00265	2.6
136.98705	4.7
139.00281	5.6
140.01065	10.1
141.01411	0.4
151.00276	0.8
154.99821	0.8
168.00568	16.9
169.00912	1.0
183.02910	100.0
184.03262	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	183.102
Annotation	Crocusatin B
Peak:m/z	Relative Intensity
51.20078	0.3
51.23487	0.3
57.03329	1.6
59.01259	2.1
67.01762	0.5
68.12162	0.3
69.03332	4.1
69.39166	2.9
71.01264	0.3
80.02547	0.5
83.04903	3.8
85.05931	0.3
85.06084	0.2
85.06462	9.2
95.04894	2.0
97.06470	12.3
98.20589	0.5
111.00805	0.6
111.04453	0.7
111.08031	1.6
112.03895	0.6
113.07204	0.2
121.06461	0.3
121.10101	0.5
123.08057	5.4
124.01582	0.9
124.03927	0.4
129.73370	0.3
137.09642	1.8
139.00264	0.6
139.11191	100.0
140.00981	0.3
140.11525	5.6
141.61781	0.3
152.98264	0.5
157.05128	0.4
162.17496	0.3
165.09123	0.7
168.00575	1.2
183.02937	2.1
183.06644	1.0
183.10181	3.9
183.13817	4.3
184.06203	0.6
184.10513	0.4
184.66008	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1383
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
51.29119	0.7
58.71800	0.7
59.01250	1.4
60.25908	0.6
60.43816	0.7
65.00177	0.9
65.01305	1.0
67.01759	1.8
68.99692	1.0
69.03337	0.8
70.06764	4.1
72.99136	0.8
73.69344	0.7
83.01273	1.3
95.01266	0.9
96.22568	0.9
101.71376	0.7
103.66653	0.7
109.99960	1.3
111.00775	6.6
112.03937	1.6
115.02895	1.0
123.00780	1.6
124.01576	4.2
124.03918	1.0
124.98672	1.0
127.00228	1.5
136.98709	3.9
139.00272	5.8
139.03865	0.8
139.11226	0.8
140.01064	9.6
140.07071	1.0
143.04832	1.0
152.98245	1.3
156.05521	1.8
157.05089	2.1
168.00566	11.5
169.00911	1.2
183.02925	55.0
183.06569	1.9
183.10362	2.5
183.13840	100.0
184.03258	4.7
184.06186	0.8
184.14185	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	181.0498
Annotation	3-[(4R)-4-Hydroxycyclohexa-1,5-dien-1-yl]-2-oxopropanoate
Peak:m/z	Relative Intensity
59.01250	1.1
65.00194	2.0
65.51727	0.6
65.70386	0.7
66.68827	0.6
69.01900	0.6
70.02869	0.8
70.21094	0.7
71.01263	3.1
71.56981	1.1
71.57389	0.9
72.99181	21.8
73.02832	0.7
80.02517	0.7
81.03347	1.6
82.03992	0.7
84.91027	0.8
90.00897	0.7
90.22080	0.6
91.05418	2.9
92.44817	0.7
93.03345	5.2
94.01224	0.7
95.01294	0.9
95.04900	0.7
97.02827	2.9
101.02323	0.8
107.04908	38.9
108.02022	1.8
108.05254	2.1
109.02856	2.4
109.06462	1.1
117.03325	1.1
119.04916	100.0
120.05267	6.8
121.02837	1.0
122.03613	0.9
123.00763	5.8
124.92789	0.7
125.02387	0.8
134.03653	3.5
135.04414	39.0
136.04781	2.1
137.02319	2.4
137.03342	0.6
137.05986	7.3
139.00372	0.8
142.56900	0.8
145.09447	0.7
151.00270	8.4
153.01831	4.0
155.03511	1.4
163.03920	50.5
164.04250	3.7
166.01270	1.0
166.02641	11.8
166.06332	0.8
166.99770	2.0
173.02824	0.6
181.01437	1.9
181.04991	44.4
182.02129	1.9
182.05276	2.7
195.73514	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.029
Annotation	Methyl 3,4,5-trihydroxybenzoate
Peak:m/z	Relative Intensity
50.64288	0.2
55.01762	0.4
60.59595	0.2
60.62012	0.3
65.00197	0.6
65.75968	0.3
67.01746	0.8
68.99673	0.8
69.03304	0.4
70.76649	0.6
70.76983	0.3
71.01255	0.7
72.99171	1.1
75.38232	0.2
82.00462	0.4
83.01259	1.1
87.00756	0.4
94.06632	0.3
95.01265	0.8
96.99184	0.5
99.00733	0.7
105.00240	0.2
106.00557	0.3
109.99970	1.0
111.00764	8.4
121.02856	0.4
123.00762	1.0
124.01551	6.7
124.98667	0.5
127.00270	3.3
130.47853	0.2
136.98697	5.7
136.99678	0.5
137.02318	0.7
137.93518	0.3
139.00262	7.0
139.03940	0.4
140.01059	12.2
141.01761	0.5
151.00240	0.8
154.99770	1.3
165.01849	0.4
168.00551	16.6
169.00880	0.9
183.02904	100.0
184.03232	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	180.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45684	0.6
61.97987	0.6
63.96090	0.7
68.28577	0.6
71.01213	0.8
71.21687	1.7
72.00779	44.8
74.02345	5.6
74.67368	0.7
75.00757	0.8
78.98463	2.8
93.03336	33.2
94.03661	1.4
97.02746	0.7
98.28887	0.6
103.64425	0.7
106.04138	2.8
107.04916	2.9
107.74984	0.6
108.02049	1.0
119.04916	92.4
120.05253	5.2
134.06009	2.8
135.04436	1.6
136.07582	1.8
136.22900	0.7
151.00262	1.5
162.05486	2.1
163.03918	100.0
164.04253	7.0
165.46747	0.6
166.02594	1.6
180.06583	96.6
181.06926	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	180.0659
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
55.30607	0.3
55.32163	0.3
57.03323	0.4
59.01252	0.6
59.27768	0.3
65.03826	0.5
66.03380	0.6
66.27218	0.4
71.01266	0.8
71.33554	0.8
71.33907	0.6
72.00780	6.5
74.02357	1.0
78.32295	0.4
78.98476	0.5
87.00730	0.6
88.01117	0.4
89.02329	0.4
89.37251	0.4
91.05408	0.9
93.03340	4.4
94.02887	0.8
94.03543	0.4
106.04131	4.7
107.04911	38.4
108.04548	0.4
108.05224	2.0
108.58317	0.4
109.02856	0.8
119.04919	100.0
120.05249	4.5
121.02858	0.8
134.06013	4.0
135.04395	0.5
136.07585	61.2
137.02313	0.6
137.05945	0.4
137.07944	3.6
138.03128	1.5
140.01031	0.4
151.00298	1.6
152.03450	0.4
153.01833	0.5
153.40875	0.4
155.31218	0.5
160.03947	0.5
160.55168	0.4
162.05661	1.9
163.03920	11.5
164.04248	0.7
166.02643	2.8
180.06583	31.1
181.05173	0.9
181.06932	2.1
183.09052	0.4
191.36714	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.6
57.03328	0.7
58.02835	0.4
59.01246	3.4
63.02275	3.9
65.00194	1.8
65.01310	0.7
65.99712	0.9
67.01746	0.4
67.02876	0.7
68.01273	0.5
69.03318	1.3
69.44016	3.4
71.01261	4.1
73.02803	2.0
75.00752	2.5
81.03320	0.9
82.03978	0.7
83.01259	1.0
83.02360	0.7
84.04437	0.7
85.02814	3.0
87.00749	15.4
89.02306	1.0
93.03297	0.5
94.02869	0.5
97.02842	1.7
97.03918	0.5
98.19810	0.6
99.00763	4.1
101.02322	1.7
106.03946	0.4
107.01273	3.2
107.04915	0.6
108.02066	0.9
109.02841	1.5
109.03951	1.5
110.02354	0.5
110.03471	0.7
113.02308	1.1
117.01803	2.3
118.03992	0.6
120.01944	0.4
121.02840	1.3
122.03576	0.7
123.00765	1.1
123.04411	0.9
125.02327	2.1
126.32030	0.4
135.00757	0.8
135.04422	3.6
136.01559	1.0
136.05194	12.7
137.02344	0.8
137.03392	0.8
137.04485	0.7
137.05492	0.6
138.06607	0.4
141.01877	1.0
146.03641	4.2
149.02315	0.8
151.00262	4.3
151.03906	1.7
151.07556	1.6
152.04539	0.6
153.03015	0.4
159.02879	0.5
161.04485	8.0
161.05840	0.6
164.01051	2.4
164.04697	100.0
165.05026	6.5
168.39847	0.4
169.01338	2.4
178.99791	2.7
179.03481	2.0
179.05522	8.1
179.07062	11.6
180.04230	0.4
180.07466	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	1.0
59.01261	3.0
63.02289	2.0
65.00220	1.4
65.35861	0.5
65.99752	0.6
67.01791	0.6
68.01319	0.5
69.03333	2.6
69.40295	2.9
71.01260	4.2
73.02853	1.4
75.00749	2.5
81.03369	1.5
83.01299	2.1
85.02818	2.1
87.00748	10.0
89.02321	0.5
89.60796	0.4
91.02977	0.4
93.03332	2.7
95.01311	1.7
95.04913	1.0
95.99651	0.4
97.02830	8.7
97.03387	0.7
97.04009	0.5
98.03209	0.7
99.00767	2.2
101.02390	1.0
105.06978	0.6
107.01283	1.8
107.04919	2.9
108.02082	1.5
109.02863	3.6
109.04002	1.1
109.06525	1.9
111.00768	0.9
113.02319	0.7
117.01836	1.2
117.07003	0.9
119.04906	0.9
121.02888	2.0
122.03604	2.1
123.00803	2.0
123.04440	1.9
123.08074	0.7
124.01556	24.7
125.02363	10.7
133.06508	2.6
135.02753	0.7
135.04414	4.6
135.08051	1.3
136.05194	1.7
136.07373	0.4
137.02347	45.1
137.05977	3.2
138.03131	100.0
139.03467	4.1
141.01846	0.7
146.03639	3.8
149.02376	2.0
150.03110	4.7
151.00266	3.0
151.03873	1.3
151.07559	6.1
152.01022	1.5
153.01918	0.8
159.04399	0.8
161.04478	4.5
161.06004	5.9
163.03954	1.5
164.01057	1.8
164.04703	15.6
165.05072	1.2
169.01315	2.3
170.02148	4.2
177.05486	4.0
178.06296	4.4
178.99782	2.4
179.03546	1.7
179.05588	5.6
179.07047	68.3
180.07440	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	179.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01785	1.2
57.03357	2.2
59.01248	6.3
63.02265	4.6
65.00230	2.7
65.01346	1.0
65.03854	0.6
65.99751	1.5
67.01778	0.8
67.02923	0.9
68.99709	0.8
69.03327	5.5
71.01249	8.0
71.57639	0.5
71.58017	0.7
71.64700	0.6
72.99219	0.9
73.02818	3.8
75.00748	4.6
76.93610	0.6
81.03347	1.7
82.04028	0.7
83.01250	4.5
83.02409	1.1
84.04471	0.6
85.02821	5.2
87.00751	22.2
89.02346	1.4
93.03317	4.0
94.02869	0.8
95.01312	2.2
95.04922	1.0
97.02829	12.1
97.03375	0.8
97.03960	1.1
99.00768	6.6
101.02374	2.2
105.06981	0.9
106.04100	1.0
107.01266	5.6
107.04899	2.9
108.02043	3.7
109.02826	5.4
109.04005	1.7
109.06494	2.3
111.00768	1.6
111.54156	0.6
113.02348	2.0
117.01828	3.9
117.07008	1.2
118.04057	1.1
121.02834	3.6
122.03608	1.5
123.00794	1.9
123.04405	2.9
124.01554	26.0
125.02354	14.0
125.44981	0.7
129.01820	0.9
133.06465	3.4
134.03615	1.0
135.00856	1.0
135.02727	1.1
135.04433	7.8
135.08067	1.0
136.01573	1.2
136.05177	5.7
137.02347	52.4
137.03294	1.9
137.05971	2.0
138.03128	100.0
139.03473	4.4
140.01031	0.9
141.01868	1.7
146.03650	8.9
149.02344	3.9
149.05943	0.9
150.03128	6.4
151.00293	6.5
151.03955	3.3
151.07549	6.6
152.00981	1.4
152.04536	0.8
153.01837	1.0
154.59396	0.7
159.02835	1.2
159.04324	0.8
161.04460	11.5
161.05978	7.7
163.03906	2.2
164.01059	4.5
164.04704	47.2
165.05002	3.2
169.01443	2.9
170.02113	4.9
177.04099	0.9
177.05446	4.5
178.06282	3.6
178.99797	6.0
179.03436	4.3
179.05537	12.5
179.07034	72.0
180.07475	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	179.0342
Annotation	Caffeic Acid
Peak:m/z	Relative Intensity
51.02309	0.1
55.01751	0.1
57.03324	0.1
59.01252	2.5
68.19154	0.1
69.03331	0.3
69.94352	0.7
71.01257	2.1
71.04879	0.5
72.99178	1.8
73.02824	1.5
75.00748	16.5
76.01068	0.2
79.05404	0.2
80.96396	0.2
81.03315	0.9
83.01254	0.3
85.02828	1.0
87.00753	4.5
89.02317	0.8
89.03858	0.5
91.05418	0.5
93.03362	0.3
95.04929	0.2
97.02828	0.4
99.00756	1.5
99.04395	0.5
101.02296	0.2
106.04116	0.4
107.04913	2.5
108.02064	0.3
113.02267	0.2
117.01837	0.6
117.03335	0.9
125.02319	0.5
134.03638	9.4
135.04417	100.0
136.04753	6.1
141.01820	0.2
143.03404	1.5
161.04472	2.1
164.01047	0.2
179.03432	11.7
179.05534	6.4
180.03767	0.8
180.05911	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0554
Annotation	Sorbose
Peak:m/z	Relative Intensity
55.01760	0.8
55.06826	0.6
57.03328	14.5
58.00471	3.5
59.01252	51.8
63.02273	5.0
64.18459	0.6
65.00191	2.1
65.01322	0.7
65.99744	0.8
69.03333	2.5
69.22715	0.6
71.01255	47.3
71.59725	0.8
72.01606	0.9
72.99187	5.1
73.02831	3.2
75.00753	4.1
81.03353	0.9
82.02850	0.6
82.03985	0.9
83.01250	3.8
85.02826	9.5
87.00756	28.8
89.02322	16.6
90.02711	0.7
91.01782	0.9
93.03345	2.0
94.02871	1.2
95.01264	2.5
95.02398	0.8
95.04863	0.9
96.00798	1.1
97.02852	2.6
99.00758	8.8
101.02339	6.9
104.65628	0.6
107.01257	5.8
107.04930	3.1
108.02045	2.6
109.02848	6.2
109.03981	1.6
110.02361	0.9
110.03488	1.0
111.00748	0.8
113.02316	5.4
117.01821	4.2
117.03294	0.7
119.03397	1.6
121.02837	10.0
123.00760	1.3
123.04390	2.5
125.02345	3.6
129.01807	0.8
133.02887	0.7
134.03636	10.2
135.04420	100.0
136.01526	0.9
136.04761	5.3
137.02339	2.3
137.03416	0.9
138.03114	2.3
141.01836	2.5
146.03696	3.6
149.02382	1.9
150.03088	0.9
151.00296	4.9
151.03940	1.6
151.07564	2.3
159.02977	1.3
161.04497	12.9
161.05843	1.3
163.03894	0.7
164.01064	6.3
164.04735	3.2
165.01607	0.8
169.01355	5.8
177.03989	0.9
178.99825	6.4
179.03429	14.4
179.05544	12.2
179.07074	8.9
179.10692	2.5
180.04063	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0553
Annotation	scyllo-Inositol
Peak:m/z	Relative Intensity
50.92850	0.9
59.01251	19.2
68.99664	1.2
69.03318	1.8
69.32979	1.0
69.72435	2.6
69.72852	3.7
70.36741	0.9
71.01252	19.5
71.01619	1.9
71.04884	3.6
72.99185	11.7
73.02810	12.8
75.00745	100.0
76.01080	1.2
81.03340	5.7
82.44206	0.9
83.01259	3.9
85.02824	13.0
86.03643	1.0
87.00749	60.4
89.02310	6.8
95.01238	1.1
97.02822	6.1
99.00761	16.8
99.04421	2.2
101.02328	6.9
113.02316	2.4
117.01817	8.8
125.02361	9.0
140.27927	1.1
141.01843	6.1
143.03374	8.0
159.02901	3.1
161.04460	43.4
162.04813	1.9
177.03972	3.1
179.05530	63.4
180.05904	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	179.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	1.0
59.01261	3.0
63.02289	2.0
65.00220	1.4
65.35861	0.5
65.99752	0.6
67.01791	0.6
68.01319	0.5
69.03333	2.6
69.40295	2.9
71.01260	4.2
73.02853	1.4
75.00749	2.5
81.03369	1.5
83.01299	2.1
85.02818	2.1
87.00748	10.0
89.02321	0.5
89.60796	0.4
91.02977	0.4
93.03332	2.7
95.01311	1.7
95.04913	1.0
95.99651	0.4
97.02830	8.7
97.03387	0.7
97.04009	0.5
98.03209	0.7
99.00767	2.2
101.02390	1.0
105.06978	0.6
107.01283	1.8
107.04919	2.9
108.02082	1.5
109.02863	3.6
109.04002	1.1
109.06525	1.9
111.00768	0.9
113.02319	0.7
117.01836	1.2
117.07003	0.9
119.04906	0.9
121.02888	2.0
122.03604	2.1
123.00803	2.0
123.04440	1.9
123.08074	0.7
124.01556	24.7
125.02363	10.7
133.06508	2.6
135.02753	0.7
135.04414	4.6
135.08051	1.3
136.05194	1.7
136.07373	0.4
137.02347	45.1
137.05977	3.2
138.03131	100.0
139.03467	4.1
141.01846	0.7
146.03639	3.8
149.02376	2.0
150.03110	4.7
151.00266	3.0
151.03873	1.3
151.07559	6.1
152.01022	1.5
153.01918	0.8
159.04399	0.8
161.04478	4.5
161.06004	5.9
163.03954	1.5
164.01057	1.8
164.04703	15.6
165.05072	1.2
169.01315	2.3
170.02148	4.2
177.05486	4.0
178.06296	4.4
178.99782	2.4
179.03546	1.7
179.05588	5.6
179.07047	68.3
180.07440	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	179.0343
Annotation	CHEBI:69195
Peak:m/z	Relative Intensity
54.47267	0.7
57.03341	0.9
59.01254	9.8
63.02274	5.2
65.00204	3.4
65.01346	1.3
65.03849	1.3
65.99706	1.1
67.01758	1.4
69.03333	1.2
71.01257	11.7
72.99185	39.3
73.02831	1.6
73.95790	0.8
75.00761	2.0
77.49911	0.7
79.05400	1.2
81.03355	3.8
82.03996	0.9
83.01263	4.3
85.02821	4.7
87.00756	17.5
89.02309	3.5
89.03869	1.1
91.05396	6.2
93.03354	7.9
94.02888	1.0
95.01281	2.3
95.04907	2.5
97.02835	2.0
99.00762	5.2
101.02348	2.3
105.03368	0.9
106.04149	1.1
107.01278	6.8
107.04911	24.6
107.05629	1.5
108.02057	59.3
108.05257	1.0
109.02934	6.4
109.03980	1.4
113.02361	1.3
117.01836	3.0
117.03341	2.0
119.04945	1.0
121.02850	11.3
122.03627	10.5
123.04414	97.5
124.04723	5.3
125.02351	1.9
133.02853	4.1
134.03647	20.9
134.06038	0.9
135.02692	3.6
135.04422	100.0
136.01550	2.4
136.04762	6.5
137.02356	2.7
137.03438	0.9
137.06030	0.9
141.01825	1.2
149.02310	1.6
150.03148	2.7
151.00331	8.0
151.03918	91.4
151.07426	1.3
152.04318	5.9
161.02437	1.1
161.04475	9.9
161.05873	1.7
164.01083	3.2
164.04750	1.7
169.01343	4.3
178.99992	4.5
179.03421	80.2
179.05688	6.3
179.07004	2.7
179.10707	0.9
180.03777	6.2
192.49763	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82789	0.5
59.01262	0.5
62.09307	0.4
63.02271	61.7
64.02605	2.0
64.71779	0.4
65.00196	23.7
66.00548	0.7
69.24318	0.9
69.24715	3.6
71.01257	0.8
83.01260	29.7
87.00768	1.9
107.01271	60.6
108.01573	2.5
122.87364	0.4
123.00801	0.6
123.04446	0.5
124.01566	4.4
135.04443	0.4
138.65651	0.4
146.03653	0.8
151.00276	100.0
152.01064	9.2
153.01747	0.4
161.04501	0.9
169.01338	38.3
170.01630	2.2
178.99786	50.8
179.05461	0.8
180.00182	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	178.9978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71978	0.6
57.03329	1.5
58.37621	0.6
59.01253	3.8
63.02269	95.1
64.02611	2.5
65.00196	34.1
65.01334	0.8
65.99721	1.9
66.00536	0.6
66.03381	0.6
67.01790	0.7
69.03333	1.7
70.00240	3.1
71.01254	6.5
72.99197	1.1
73.02829	2.6
75.00753	3.1
81.03333	0.7
82.02837	0.6
82.03983	1.2
82.61199	0.6
83.01257	37.6
84.01593	1.2
85.02829	4.1
87.00751	19.7
89.02321	1.4
92.12115	0.7
93.03334	1.0
95.01281	1.3
96.00773	0.7
97.02820	3.0
97.79274	0.6
98.02389	0.8
99.00768	5.5
101.02330	2.4
102.27998	0.6
106.04048	0.7
107.01271	76.3
107.04913	1.5
108.01614	2.6
109.02848	1.9
109.03979	1.3
109.06360	0.8
111.00758	1.3
113.02341	1.5
117.01804	3.4
118.03980	0.8
121.02839	1.5
123.00742	1.9
123.04372	1.0
124.01559	8.9
125.02356	3.5
125.03441	0.5
135.04436	5.3
135.07979	0.6
136.05069	0.9
137.02371	10.8
137.03430	1.3
138.03133	26.2
139.03473	1.0
140.00977	0.7
141.01834	1.9
146.03621	0.9
149.02386	1.4
150.03123	2.1
151.00276	100.0
151.03914	2.2
151.07556	3.3
152.01068	9.9
152.04475	0.7
159.02895	0.7
161.04500	9.0
161.05836	1.5
162.03021	0.7
163.03899	0.9
164.01047	2.6
164.04727	2.8
169.01344	73.0
170.01851	5.9
177.04079	0.9
177.05547	1.3
178.06267	0.7
178.99786	62.5
179.03201	3.7
179.05544	9.6
179.07079	20.4
179.10634	0.7
180.00099	3.6
180.04126	0.7
180.07564	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.024
Annotation	5-Dehydro-4-deoxy-D-glucuronate
Peak:m/z	Relative Intensity
50.92263	1.3
55.01752	5.8
57.03312	4.8
58.00466	2.2
59.01257	19.6
61.00881	1.7
64.25142	1.4
67.01740	1.4
68.99693	13.0
69.03314	4.7
69.72453	9.6
71.01260	24.2
72.99180	13.0
73.02826	11.6
75.00753	8.0
82.00600	1.5
83.01259	9.6
84.02051	1.5
85.02823	26.4
87.00751	100.0
89.02336	1.5
95.01269	4.3
96.99189	2.6
97.02824	3.7
99.00742	11.0
101.02312	3.5
103.90923	1.4
111.00745	7.6
113.02312	5.8
115.00265	16.0
117.01796	1.9
127.00271	11.3
129.01823	5.1
131.03317	3.1
139.00346	2.2
157.01305	3.5
160.39941	1.4
173.29358	1.7
175.02394	12.4
175.03891	2.1
175.06024	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	177.0914
Annotation	Isobutyl benzoate
Peak:m/z	Relative Intensity
56.26308	0.1
64.64301	0.1
93.03342	3.7
94.03658	0.2
109.02853	0.6
121.02848	100.0
122.03179	4.7
123.00798	0.3
133.02876	0.2
136.05191	3.1
136.73557	0.1
137.02321	0.8
137.05553	0.2
138.03168	0.3
142.27719	0.2
149.05923	0.2
161.02371	0.1
162.06781	61.5
162.22058	0.1
163.07117	5.1
165.17052	0.2
168.04167	1.3
176.04526	0.1
177.01857	0.4
177.05566	1.6
177.09129	6.0
178.05994	0.1
178.09520	0.5
198.68442	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	178.9498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.7
59.01252	2.4
69.03332	1.7
71.01254	4.7
71.22089	0.7
71.36885	1.4
73.02823	1.8
78.95789	1.0
79.95573	0.9
80.96408	0.8
83.01266	0.9
85.02805	3.3
87.00746	17.2
89.02291	0.8
91.09203	0.6
97.02766	1.0
97.34849	0.6
99.00770	4.8
101.02328	2.0
107.01254	0.8
107.04908	0.8
109.02826	1.2
117.01850	3.2
125.02328	1.9
134.95964	2.4
135.00809	0.7
135.04439	4.7
136.01537	0.9
136.05209	0.8
136.93906	100.0
137.02281	0.6
137.93999	8.0
138.22112	0.6
141.01842	1.8
151.07565	2.0
151.92638	11.2
154.95006	0.9
158.06537	0.6
159.02968	0.8
160.30511	0.6
161.04440	9.2
164.01082	2.7
178.94975	39.1
178.99673	1.5
179.03474	2.2
179.05542	7.7
179.07040	2.7
179.10628	0.7
179.95148	4.3
196.96106	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	2.6
58.02840	0.6
59.01251	34.2
60.99168	3.5
65.01319	6.7
65.03833	0.9
65.99714	3.9
67.01761	26.8
68.02090	0.9
69.03331	5.9
71.01251	6.1
72.99174	0.7
73.02818	2.5
77.01316	1.2
81.03329	2.3
83.04894	3.2
83.40959	0.7
85.02822	1.0
85.06459	8.0
87.05531	0.7
89.01324	1.7
91.02868	2.1
92.02408	0.8
93.03333	100.0
94.03674	4.5
99.00740	2.2
105.04510	1.0
106.03997	2.8
107.02422	0.9
108.01937	1.1
109.06493	1.0
111.00757	2.1
111.04400	9.4
111.08031	4.3
113.05968	4.4
113.51985	0.7
116.02443	1.5
118.02881	1.0
118.03981	1.2
119.02404	4.6
129.09068	0.9
130.03996	2.1
130.06506	1.0
131.03601	4.7
131.06038	1.5
131.07031	30.2
132.05557	1.4
132.07387	1.7
133.02750	1.5
133.03839	0.9
143.03505	1.5
144.04424	2.2
145.02867	1.7
145.04947	1.2
146.02411	1.3
146.03482	7.4
146.06012	1.7
146.07100	1.2
147.01949	1.4
147.02989	1.4
148.01512	0.8
159.03183	1.2
173.02290	1.2
173.04581	13.6
173.05965	1.1
173.07083	3.2
173.08174	2.7
173.09424	1.1
173.11763	1.1
174.01759	1.3
174.03032	1.1
174.05412	2.3
174.06743	1.6
192.12125	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1175
Annotation	2-hydroxynonanoic acid
Peak:m/z	Relative Intensity
52.16285	0.2
57.03001	0.3
57.03305	0.4
59.01245	0.3
60.99181	0.3
61.10689	0.2
65.01312	0.9
65.99707	0.4
67.01769	2.7
68.02102	0.3
69.03333	0.6
69.81263	0.5
69.81664	1.0
70.46485	0.2
71.01264	0.7
85.02818	0.3
89.01337	0.2
91.02894	0.3
93.03338	9.6
94.03651	0.6
99.00740	0.2
105.04504	0.3
111.04394	0.6
111.08018	0.5
119.02401	0.3
125.09624	0.6
127.11180	13.8
128.11513	1.0
129.01807	0.2
130.03999	0.3
132.05554	0.3
146.03484	0.8
155.10692	2.5
171.10172	1.5
173.04575	1.8
173.11749	100.0
174.12083	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	173.0082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03309	0.5
53.00182	0.5
55.01756	4.8
56.95775	0.4
57.03324	11.5
58.00454	0.6
58.02848	8.3
58.03652	1.3
59.01251	11.0
60.01577	0.5
60.99172	1.2
65.03831	1.5
67.01761	16.2
68.99680	2.1
69.03336	3.8
69.23727	1.7
69.24142	3.6
70.02860	0.6
71.01254	61.9
71.04907	1.2
72.01595	1.5
72.99178	9.5
73.02812	13.9
74.02310	0.7
75.00758	1.0
80.99683	1.0
81.03330	2.7
83.01258	7.9
83.04897	7.5
85.02822	40.0
85.06448	2.2
85.82542	0.5
86.03165	2.1
86.05988	2.1
87.00751	3.0
87.05504	0.5
88.03907	0.6
93.03335	57.4
94.03667	1.7
95.01286	1.3
96.99188	4.2
97.02827	1.0
98.19756	1.0
99.00755	23.4
99.04395	3.8
99.60214	0.5
100.01089	0.6
100.07561	5.6
101.00837	0.6
101.02321	1.3
101.07893	0.6
109.02833	1.1
111.00762	100.0
111.04399	12.4
111.08029	2.8
111.54156	0.5
112.01075	3.8
112.03976	0.6
112.98697	2.4
113.02328	1.1
113.05970	0.8
114.01854	0.6
114.05499	0.8
115.00267	1.9
116.07056	0.6
117.00307	1.3
123.00733	0.7
124.98693	20.4
125.98974	0.8
127.03925	0.6
128.07063	8.9
128.07953	0.9
129.01834	6.8
129.05450	3.3
129.10226	1.4
130.04973	0.5
130.98254	1.4
131.08151	15.2
132.06566	2.2
137.02335	5.0
142.99763	26.4
143.03470	0.6
144.00114	0.9
154.99776	3.0
155.03404	4.3
155.04541	1.0
172.99358	1.3
173.00845	5.9
173.04460	8.1
173.06119	0.5
173.06653	0.9
173.07878	3.3
173.09337	4.0
174.07623	6.2
177.61086	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00191	2.3
55.01755	6.6
57.03321	6.4
58.02846	2.6
59.01247	7.0
60.99159	3.3
62.11071	1.0
67.01762	27.7
68.03462	1.1
68.99673	4.2
69.03320	7.1
71.01255	100.0
71.57837	1.7
72.01595	1.6
72.99167	4.6
73.02821	7.6
75.00741	1.5
81.03329	2.2
83.01260	10.7
83.04893	5.0
85.02805	5.5
85.06475	1.9
87.00746	5.8
88.03908	1.8
93.03335	83.3
94.03647	3.1
95.01272	2.6
96.99184	5.9
99.00756	32.4
101.02341	1.2
109.02827	1.6
111.00768	31.2
111.04401	13.0
111.08064	6.6
112.98694	21.7
113.02306	1.3
115.00243	4.3
115.51008	1.3
123.00745	1.5
124.98701	26.6
129.01826	2.7
129.05478	2.1
131.08134	1.5
142.98636	2.2
142.99765	44.2
143.31699	1.2
145.02765	1.5
154.99739	2.6
173.00806	8.9
173.04475	8.4
173.08105	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	4.0
59.01253	87.6
60.99181	3.5
62.77095	1.0
64.00541	0.9
65.01336	5.8
65.99728	3.6
66.00845	1.2
66.03347	1.6
67.01763	26.4
68.02068	1.4
69.03345	5.8
69.35069	3.2
69.35487	7.3
71.01255	7.0
72.99168	1.1
73.02835	2.5
81.03362	1.6
83.04906	5.3
85.02840	1.3
85.06462	17.3
89.01347	1.9
91.02917	1.8
92.02417	1.2
92.04897	0.9
93.03339	100.0
94.03687	4.0
99.00767	2.8
99.22778	0.9
100.87626	0.8
105.04482	1.2
106.03980	1.2
109.02852	1.3
109.06509	2.0
111.00781	4.1
111.04416	8.8
111.08051	28.4
113.05969	16.0
116.02462	1.1
116.04948	1.8
118.02893	4.2
118.03994	1.2
119.02402	6.0
123.00806	0.9
128.04831	1.3
129.01807	1.0
129.05667	1.5
129.09135	2.1
130.04001	2.4
130.06520	9.3
131.03654	13.4
131.07039	74.0
132.01878	1.1
132.05542	1.1
132.07364	2.8
133.02777	1.2
143.03593	1.3
144.04468	9.3
145.02826	2.2
146.02374	1.7
146.03496	11.7
146.06065	5.4
147.04413	1.0
155.03561	1.6
159.03096	1.0
173.02333	1.9
173.04597	17.6
173.06911	15.8
173.08195	6.4
174.01683	1.0
174.03050	1.9
174.05504	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	171.1019
Annotation	9-Oxononanoic acid
Peak:m/z	Relative Intensity
53.16283	0.4
54.71212	0.5
57.03298	0.6
59.01246	1.0
62.98413	0.6
65.01322	3.5
66.00825	0.5
70.88332	1.5
70.88705	0.7
77.25433	0.5
77.67724	0.5
81.04464	0.5
89.01311	1.6
99.08022	0.7
105.04471	1.3
115.91969	1.2
121.91443	0.5
123.08019	1.0
125.09590	3.7
127.07573	1.1
127.11179	7.8
130.04013	2.1
144.01926	0.6
144.04431	1.3
144.05569	2.0
153.09131	1.9
171.01842	2.7
171.06873	4.4
171.10181	100.0
171.13832	2.5
172.03807	0.8
172.05031	0.8
172.10529	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	171.1019
Annotation	CHEBI:68949
Peak:m/z	Relative Intensity
54.34863	0.4
55.01742	0.6
56.56072	0.4
57.03302	0.8
59.01242	0.8
61.93715	0.5
62.87768	0.5
65.01321	5.3
67.48862	0.4
69.55657	3.5
71.01250	0.5
71.96784	0.4
81.04474	0.8
89.01334	2.9
98.20386	1.1
99.08035	1.4
103.01971	0.4
105.04468	1.9
106.03996	1.2
106.62579	0.5
109.06488	0.5
111.08030	0.6
125.09632	4.2
127.02799	1.6
127.07543	1.4
127.11189	7.9
127.12109	0.8
128.11418	0.4
128.47365	0.4
129.04500	0.9
130.03975	2.5
130.08659	0.6
136.06807	0.4
137.95360	0.4
144.01913	0.7
144.04506	0.7
144.05569	3.6
145.04004	0.7
153.09100	2.3
163.13872	0.4
171.01895	4.5
171.06926	4.6
171.10181	100.0
171.13641	3.3
172.03815	0.6
172.05051	1.1
172.10544	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0972
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
54.10441	0.2
57.03327	0.4
58.02853	1.6
59.01255	0.5
63.15948	0.2
65.01341	0.8
65.15667	0.3
65.99739	0.3
67.01764	2.5
69.03337	0.6
69.90444	1.5
71.01272	0.8
72.99182	0.4
73.02865	0.3
76.11216	0.2
82.06501	0.4
83.04925	0.4
84.02061	0.4
85.06474	0.3
92.92681	0.3
93.03342	9.6
99.00757	0.4
111.00790	0.4
111.04424	0.9
111.08076	0.5
119.02420	0.3
127.07574	0.8
128.10709	2.7
130.08638	100.0
131.07054	0.4
131.08978	4.3
132.16711	0.3
144.04367	0.5
146.03505	0.7
172.09698	9.8
173.04529	1.5
173.08160	1.0
173.09950	0.6
173.11725	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31118	0.5
57.03343	0.8
58.02861	2.1
59.01249	1.5
60.99170	1.6
65.01318	1.0
65.99721	0.8
66.03381	0.5
67.01765	8.4
69.03329	2.0
71.01262	3.0
71.59396	0.5
72.99181	0.8
73.02813	0.7
81.03309	0.5
83.04897	0.8
85.02830	0.6
85.06474	0.5
89.01344	1.0
93.03337	29.6
95.38751	0.4
99.00774	1.0
106.03979	0.6
111.00775	0.8
111.04414	2.5
111.08042	2.0
112.11646	0.4
115.92003	0.5
121.47101	0.4
127.07503	0.6
128.10736	4.0
130.08636	100.0
131.07010	0.9
131.09004	4.2
134.15678	0.5
137.02286	0.6
144.04443	1.2
145.02856	0.7
145.03926	0.8
145.05087	0.5
146.03519	1.8
154.58537	0.5
172.03879	0.6
172.06299	0.7
172.09668	11.0
172.95445	0.5
173.02350	0.8
173.04512	4.3
173.08189	1.2
173.10110	0.8
173.11739	1.0
189.17552	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	4.3
57.03324	6.5
58.02824	3.6
59.01252	10.6
67.01761	29.6
68.99691	4.9
69.03331	4.5
70.78728	4.1
71.01251	74.0
72.08311	2.6
72.99187	6.8
73.02821	4.8
75.00747	2.7
80.99696	2.1
83.01259	6.4
86.05989	3.4
87.00764	6.3
93.03339	100.0
94.03703	5.1
99.00768	30.3
111.00768	7.1
111.04391	8.4
111.08035	7.9
112.98671	11.8
113.02322	2.6
115.00253	5.8
123.00756	2.7
124.98707	27.8
128.07053	7.2
142.99763	42.8
144.00211	2.7
150.11484	2.5
154.99748	3.1
168.73653	2.6
173.00807	3.9
173.04510	10.8
174.07567	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	169.0133
Annotation	Gallic acid
Peak:m/z	Relative Intensity
65.45080	0.2
67.01748	0.9
68.99680	0.3
69.03325	6.6
70.10992	0.4
70.11389	0.8
71.17987	0.3
79.01765	0.8
80.02547	0.3
81.03324	1.7
83.01252	0.8
87.95078	0.3
89.07949	0.2
95.01248	1.6
97.02824	5.9
104.32319	0.3
107.01276	0.8
108.02083	0.3
112.20371	0.2
123.00764	0.7
124.01530	2.1
125.02328	100.0
126.02671	5.0
137.14613	0.3
169.01329	20.8
170.01627	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52212	0.7
56.09858	0.7
59.01266	1.0
62.70031	0.8
65.00201	0.8
66.20708	0.7
67.01758	1.5
67.44034	0.7
69.03329	7.7
69.34960	2.7
69.35384	4.4
81.03331	1.7
83.01231	1.1
90.97141	0.7
95.01263	1.3
97.02840	7.3
107.01299	1.8
107.04784	0.8
110.02360	1.5
123.00794	1.2
124.01563	1.8
125.02342	100.0
125.09596	1.9
125.99460	1.2
126.01855	0.8
126.02668	4.6
140.34717	0.8
141.01852	1.1
151.00282	1.5
160.46561	0.7
165.84210	0.7
169.01341	26.2
169.05090	1.5
169.08636	1.4
170.01672	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	169.0134
Annotation	Gallic acid
Peak:m/z	Relative Intensity
50.88945	0.2
57.03311	0.3
58.64439	0.2
65.62644	0.2
67.01770	1.1
68.99693	0.6
69.03330	8.1
70.03674	0.4
70.79982	0.7
71.01266	0.5
73.76063	0.2
79.01785	0.9
81.03335	2.2
83.01263	0.9
85.02841	0.5
87.39418	0.2
95.01263	1.3
97.02833	5.1
99.00780	0.4
107.01283	0.8
108.02085	0.3
113.02326	0.6
123.00776	0.6
124.01560	1.9
125.02345	100.0
126.02682	5.1
139.00215	0.3
150.96933	0.2
151.00342	0.4
153.98976	0.3
169.01349	23.1
170.01682	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0134
Annotation	Gallic acid
Peak:m/z	Relative Intensity
51.02263	0.3
67.01759	0.9
69.03326	8.7
70.03651	0.3
70.33920	0.3
70.34323	0.4
79.01775	0.8
81.03330	2.1
83.01276	0.8
95.01260	1.4
97.02834	5.7
99.74574	0.2
107.01285	0.7
108.02039	0.3
123.00751	0.4
124.01573	2.0
125.02340	100.0
126.02679	4.8
169.01340	24.2
170.01653	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0134
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37021	0.2
55.01769	0.4
56.24470	0.3
57.03314	0.5
60.80082	0.2
65.00184	0.2
67.01767	1.1
68.99693	0.7
69.03327	7.6
69.66402	1.3
71.01259	0.7
71.97993	0.2
78.60531	0.2
79.01765	0.9
80.02550	0.3
81.03329	2.0
83.01271	0.6
85.02831	0.7
95.01286	1.5
97.02834	5.1
98.03190	0.2
99.00750	0.9
107.01280	0.8
107.50005	0.2
109.99982	0.3
111.00773	0.5
112.26963	0.2
113.02313	1.1
123.00753	0.6
124.01558	2.0
125.02338	100.0
125.09621	0.3
125.99474	0.5
126.02671	4.0
141.01790	0.2
153.99106	0.2
169.01341	22.5
170.01645	1.5
171.76202	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40955	0.5
57.03300	0.7
59.01234	0.6
61.98688	0.5
66.96861	0.5
67.05869	0.4
67.67003	0.4
68.99675	0.4
69.24107	0.5
69.25289	5.3
71.01251	1.0
71.42662	0.4
71.55732	0.4
78.58237	0.4
97.06450	0.6
98.19783	1.0
98.20461	1.4
99.00779	0.7
99.08053	1.2
111.00771	0.5
125.09612	3.3
127.02808	0.8
127.07541	1.5
127.11189	8.2
128.89954	0.5
130.08627	0.7
144.04475	1.1
153.09103	1.6
170.88290	0.8
171.01903	5.8
171.10182	100.0
171.13760	6.9
172.06209	0.6
172.10539	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	167.0342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.5
59.01240	3.1
65.00183	2.5
65.14065	0.4
67.01762	0.7
68.01270	0.6
68.99678	0.4
69.03330	0.5
70.07613	1.2
71.01269	0.5
72.99209	0.4
81.03333	21.3
82.02852	0.9
82.03631	0.7
83.01255	8.5
83.04897	0.5
83.84153	0.3
84.01575	0.4
91.01860	0.5
92.19350	0.4
93.03345	1.0
95.01256	1.9
95.04905	3.4
96.04439	0.6
97.02825	0.7
97.03940	0.5
98.02386	0.6
99.00757	0.8
99.04388	0.6
107.01266	1.8
108.02064	3.6
108.04460	0.6
109.02829	0.6
121.02850	0.8
123.00851	2.3
123.04411	100.0
124.01568	2.7
124.04741	5.2
124.07602	0.6
125.02348	7.3
125.05967	0.6
134.48775	0.4
137.02319	0.4
138.03104	0.9
139.00255	0.9
139.03912	2.8
140.02466	0.7
140.04265	0.5
141.01889	0.5
149.02412	0.3
151.00266	4.0
152.01076	7.3
153.01808	0.4
167.03416	72.9
167.07071	1.6
168.00623	0.5
168.03839	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	168.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02851	100.0
59.03191	1.4
64.75950	0.3
69.03335	1.6
70.00684	0.3
70.02867	0.5
71.54550	0.7
81.03355	0.8
81.67792	0.3
97.02860	1.4
107.01286	0.4
109.02364	0.4
124.01611	0.8
124.04765	0.4
125.02338	25.1
125.09571	0.5
126.72041	0.3
151.00299	0.3
151.11201	0.3
157.33525	0.3
164.26712	0.3
168.03905	0.3
168.13812	5.3
169.01323	6.2
169.02591	0.6
169.05118	0.3
169.12282	0.4
169.14291	0.8
180.91084	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
67.41626	0.7
68.07858	0.7
69.36948	3.1
69.37384	3.0
72.99180	35.0
73.44936	0.6
91.05419	2.1
91.28055	0.7
94.57925	0.6
98.20616	1.2
101.03843	3.3
117.03321	1.5
119.04919	44.2
119.87622	0.6
120.05267	2.2
122.94581	0.6
137.02411	0.7
147.04424	100.0
148.04771	8.1
165.05486	28.8
166.05836	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	166.0263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.3
63.05841	1.3
65.01316	1.4
65.99727	1.6
67.01762	4.0
69.81615	6.6
70.80394	1.8
72.99168	1.3
81.03336	5.8
83.01274	3.0
93.03347	2.3
95.01263	10.2
95.04922	4.4
97.02844	4.1
97.03899	1.5
99.04406	4.1
108.02055	10.8
109.01625	1.9
109.02834	4.2
109.03961	2.7
111.00759	11.9
118.85088	1.2
121.02846	3.2
122.03162	2.5
123.00768	11.4
123.04408	9.2
124.01532	4.0
124.03925	2.6
124.05048	1.6
125.02329	1.5
137.02353	13.8
138.03177	14.2
139.00281	11.0
139.03951	6.3
139.04918	1.3
151.00308	5.3
152.01054	24.1
165.01817	8.6
165.75629	1.4
166.02632	100.0
166.04994	4.7
166.99829	3.4
167.03412	19.1
167.04742	2.4
167.07086	3.0
170.02151	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	165.055
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57838	0.3
55.28418	0.3
58.87939	0.4
65.01321	0.3
65.99729	0.7
66.03365	0.3
67.01772	0.7
69.46350	1.1
69.46773	1.7
71.01248	0.6
72.00776	1.5
72.99183	39.1
73.05562	0.3
73.99534	0.6
75.00748	1.3
76.98017	0.3
81.03344	0.4
81.04468	0.3
82.03954	0.4
86.01392	0.3
87.00765	0.7
91.05408	1.9
92.99673	0.3
93.03353	1.2
97.03956	0.6
101.03856	3.3
103.05363	0.3
105.01825	0.4
109.02840	1.2
117.03357	1.1
119.04917	42.3
120.05248	2.4
121.02846	8.4
121.03840	0.4
122.03589	1.0
123.00761	0.4
124.05120	0.6
135.04430	0.5
137.02351	4.1
137.03343	0.6
138.66687	0.4
147.04420	100.0
148.04753	11.5
149.00861	0.9
150.03123	2.1
151.00299	0.4
165.01828	2.1
165.04091	0.8
165.05481	25.6
165.07487	1.2
165.09123	0.6
166.02620	0.5
166.06044	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01293	1.2
65.00226	0.8
65.01357	1.1
65.03872	0.6
65.99747	0.7
66.03400	0.4
67.01788	0.7
67.02904	0.4
68.01338	0.4
68.99725	0.4
69.03374	0.6
69.96656	1.3
71.01267	0.6
72.00831	0.5
72.99181	37.2
73.89722	0.3
73.99559	0.5
75.00749	2.5
77.03884	1.6
79.02959	0.3
81.03355	0.6
82.02867	0.5
82.04003	0.7
83.01284	0.8
83.02382	0.5
87.00775	1.4
91.05444	1.2
93.03334	2.5
94.02893	0.5
95.01299	1.1
95.02431	1.2
96.00789	0.4
97.02876	1.1
97.03980	1.1
98.19934	0.4
101.02393	0.5
101.03855	2.3
105.01866	0.8
108.02099	0.5
109.01607	1.5
109.02825	2.9
109.04001	0.6
117.03379	1.5
119.04916	42.0
120.01902	0.3
120.05245	2.2
121.02845	18.8
121.06489	0.8
122.03541	1.4
123.00809	1.0
123.01941	0.5
123.05568	0.4
124.04054	0.4
124.05090	1.2
129.01859	0.5
135.04440	1.8
136.01549	0.4
136.05057	0.3
137.02342	15.2
137.05983	0.6
138.03128	4.7
147.04419	100.0
148.04764	9.9
149.00879	1.5
149.02277	0.4
150.03156	3.8
151.00273	1.0
164.89455	0.9
165.00542	0.5
165.01851	7.2
165.04010	2.0
165.05463	24.8
165.09065	0.8
166.02586	1.9
166.05896	1.6
169.43262	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	3.5
57.03313	0.8
58.00466	0.8
59.01252	10.4
63.54030	0.5
69.67455	1.0
69.67863	2.5
71.01257	10.0
72.99181	7.9
73.02837	3.5
75.00746	100.0
76.01090	1.8
79.95610	0.9
80.96370	0.9
81.57939	0.4
85.02828	2.0
87.00750	78.3
88.01096	2.0
89.02319	4.6
98.19775	0.5
99.00756	9.3
99.01318	0.3
101.02324	3.6
105.01815	58.4
106.02153	1.9
109.03940	1.1
115.00243	0.5
115.16056	0.5
117.01826	3.1
119.03384	0.8
121.02892	0.8
129.01845	9.2
130.02148	0.6
135.02895	1.3
137.02354	1.0
147.02879	7.1
150.03111	1.0
162.07362	0.5
165.03958	52.0
166.04320	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	165.0396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	3.0
57.03323	1.2
58.00468	0.3
59.01251	9.9
64.91686	0.2
65.99716	0.2
66.27151	0.2
67.01746	0.2
68.99702	0.3
71.01254	9.7
71.20178	0.3
71.20515	0.5
72.98772	0.5
72.99181	8.8
73.02816	2.0
75.00746	100.0
76.01080	1.6
78.95780	0.4
80.45490	0.2
83.01278	0.7
85.02827	2.1
87.00751	71.7
88.01083	1.9
89.02312	3.0
93.03356	0.4
95.01276	0.4
99.00759	6.2
101.02318	3.1
105.01818	47.8
106.02133	1.2
111.00813	0.3
112.06503	0.2
117.01816	2.7
119.03383	0.5
119.04928	0.3
121.02837	1.2
125.02339	0.2
129.01834	8.4
135.02910	1.4
137.02325	0.6
147.02898	5.7
147.04356	0.7
150.03116	0.4
165.03963	38.1
166.04271	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	164.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85218	0.5
56.73870	0.5
59.01248	1.4
68.32178	0.5
70.92418	1.2
70.92767	0.8
71.01250	2.2
72.00781	43.6
72.99186	1.9
73.01102	0.7
75.00761	3.1
77.03837	0.6
77.66304	0.6
81.52905	0.6
83.04943	0.6
87.00759	1.8
89.02294	1.0
91.05399	0.8
92.04917	1.3
92.99721	0.7
93.03331	3.0
101.02362	0.7
104.31106	0.6
105.01796	0.8
109.02814	3.0
118.06448	0.6
119.04910	4.6
120.04431	1.7
120.05269	3.1
121.02848	10.1
122.03633	1.9
125.23982	0.6
135.04430	1.2
136.03928	0.6
137.02344	8.8
147.04427	100.0
148.04762	7.4
149.00905	1.5
149.02306	1.2
150.03146	7.0
163.32457	0.6
164.00948	0.9
164.03374	1.1
164.07088	37.8
165.01851	5.1
165.03983	1.3
165.05432	2.9
165.07446	3.1
165.09013	1.3
179.24132	0.7
181.48970	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99681	0.6
54.29429	0.5
54.48811	0.5
59.01249	0.9
63.06801	0.5
65.00201	0.5
65.01323	1.9
65.99722	2.0
66.03351	0.5
67.01762	1.0
67.02868	0.7
68.01296	1.4
69.37872	4.8
70.35886	0.6
71.01254	1.2
71.64113	0.5
72.00784	43.6
72.99194	1.7
73.01135	0.5
75.00765	2.7
77.03838	1.3
77.26286	0.5
78.41940	0.5
80.02448	0.6
81.03318	0.7
81.04477	0.5
82.02852	0.6
82.04027	0.6
85.02838	0.6
87.00768	2.4
89.02347	0.5
91.05398	1.2
92.04933	0.8
92.99683	0.6
93.03350	2.2
94.02864	0.8
95.01309	0.7
95.02390	1.7
96.00797	0.7
97.03963	0.6
105.01843	1.4
106.03972	1.2
107.02401	1.0
109.02866	3.6
109.03953	1.2
119.02383	0.9
119.04917	4.4
120.04443	1.3
120.05230	6.9
121.02848	15.6
121.03831	1.1
121.05182	0.5
121.06474	1.4
122.03600	5.2
123.01940	0.7
123.03899	5.1
124.01551	1.7
124.02557	0.6
125.01878	0.9
134.03529	1.1
135.04442	1.3
136.01500	0.7
137.02341	9.9
137.03470	3.1
138.02754	2.8
138.03723	0.4
146.03566	0.6
146.06006	0.6
147.04430	100.0
148.04762	6.2
149.00891	1.4
149.02184	0.5
150.03125	6.3
152.71736	0.5
154.02596	0.7
155.02965	2.7
164.00885	1.1
164.03413	1.1
164.04582	4.2
164.07036	37.1
165.01875	5.2
165.04047	1.8
165.05498	3.0
165.07437	2.2
165.09061	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	3.6
59.01249	9.6
63.21452	1.2
70.97381	2.6
71.01260	6.6
72.99187	6.3
73.02831	1.9
75.00747	100.0
76.01115	2.5
85.02814	2.3
87.00757	34.1
87.01278	2.6
89.02325	3.4
95.63083	1.1
99.00767	5.1
101.02336	3.7
105.01815	29.1
117.01806	2.2
121.02840	20.8
122.03158	1.9
129.01826	11.6
135.02925	1.2
137.02341	3.6
146.28461	1.1
147.02885	5.3
147.04457	2.8
148.34439	1.3
150.03140	1.9
165.01843	3.3
165.03966	42.0
165.05386	2.1
166.02650	1.6
166.04201	2.3
173.32031	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13163	1.1
63.74648	1.0
71.68679	1.1
78.61698	1.1
81.29355	1.1
91.01765	4.0
93.03303	1.6
107.04951	1.3
119.01300	1.5
119.04919	37.3
120.04414	1.1
120.05290	1.7
120.45220	1.1
124.51447	1.1
135.00783	2.2
162.89273	1.4
163.00243	8.0
163.03975	2.8
163.11197	100.0
164.11566	9.4
183.01089	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88176	0.9
53.96499	0.7
59.01247	2.9
60.06302	0.8
65.03847	0.8
65.99724	0.8
66.45152	0.7
67.01736	1.4
70.01022	4.7
71.01245	3.6
72.00781	47.7
72.99206	1.8
73.02856	1.0
75.00753	4.7
77.03780	0.8
81.03323	1.8
85.02836	0.9
87.00762	4.3
89.02357	1.0
91.05409	1.4
92.04942	1.4
93.03331	4.9
95.01256	1.1
95.09940	0.8
98.20532	1.0
101.02345	1.6
105.01817	2.6
108.42447	0.8
109.02819	5.0
115.40616	0.8
119.04919	4.7
119.25696	1.0
120.04422	2.7
120.05260	5.3
121.02846	17.0
135.04408	1.3
136.03903	1.5
137.02338	15.8
137.05946	0.9
147.04422	100.0
148.04759	6.5
149.00856	3.6
149.02284	2.3
150.03127	18.7
164.00830	1.0
164.03326	1.2
164.07082	37.2
164.89377	0.9
165.01837	7.2
165.03960	2.3
165.05466	4.1
165.07463	2.6
165.09035	1.4
168.12346	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	7.1
61.65091	2.6
67.01763	6.4
67.77524	2.4
68.99675	3.6
71.01264	5.9
71.58188	4.0
72.00783	46.2
72.99175	10.6
75.00745	10.6
81.03303	3.8
87.00740	10.3
91.95264	2.9
92.04909	3.7
92.99657	3.3
93.03338	17.8
94.02855	2.8
95.01257	3.7
99.00720	3.2
101.02380	3.1
103.29266	3.0
105.01795	8.7
107.04896	2.8
108.02096	3.0
109.02855	15.9
119.04889	9.7
120.04433	5.5
120.05232	22.8
121.02847	50.6
122.03634	4.3
123.04403	2.9
135.04477	4.5
136.03969	3.3
137.02344	50.2
147.04417	100.0
148.04753	5.5
149.00893	7.9
149.02298	3.9
150.03145	38.9
164.00800	3.4
164.03322	3.6
164.04561	3.0
164.07071	42.6
165.01877	18.5
165.04004	7.0
165.05467	10.6
165.07504	5.8
165.09000	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	163.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.94117	1.3
65.01311	2.2
65.99720	2.7
68.01275	2.1
69.56160	6.9
69.56571	2.5
72.00777	4.6
73.67485	1.2
79.02863	1.4
81.04445	2.0
82.03978	8.1
83.02380	1.5
91.01783	4.7
93.03329	3.1
94.93580	1.2
95.02390	1.7
98.20543	1.4
105.04452	1.3
106.04004	3.0
106.87160	1.0
108.02033	3.2
109.02859	1.4
109.03991	1.4
119.01285	3.0
119.02453	1.2
119.04917	34.4
120.04446	2.5
120.05448	3.7
121.02818	5.7
121.03969	5.5
121.05112	11.0
122.03629	100.0
123.03979	3.0
124.01523	12.0
127.64950	1.3
133.05115	1.5
134.03555	2.6
135.00790	3.2
135.04422	3.9
136.01524	5.0
136.04005	2.2
136.05084	5.1
137.02342	24.1
137.03360	1.4
138.02711	1.6
146.03503	1.4
147.04472	7.0
149.02333	3.9
153.01843	2.7
154.02638	23.9
162.89235	2.3
163.00299	8.3
163.02602	1.4
163.03909	5.4
163.06351	3.3
163.07558	57.4
163.08937	2.9
164.04582	5.4
164.08006	3.9
173.93051	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.94117	1.3
65.01311	2.2
65.99720	2.7
68.01275	2.1
69.56160	6.9
69.56571	2.5
72.00777	4.6
73.67485	1.2
79.02863	1.4
81.04445	2.0
82.03978	8.1
83.02380	1.5
91.01783	4.7
93.03329	3.1
94.93580	1.2
95.02390	1.7
98.20543	1.4
105.04452	1.3
106.04004	3.0
106.87160	1.0
108.02033	3.2
109.02859	1.4
109.03991	1.4
119.01285	3.0
119.02453	1.2
119.04917	34.4
120.04446	2.5
120.05448	3.7
121.02818	5.7
121.03969	5.5
121.05112	11.0
122.03629	100.0
123.03979	3.0
124.01523	12.0
127.64950	1.3
133.05115	1.5
134.03555	2.6
135.00790	3.2
135.04422	3.9
136.01524	5.0
136.04005	2.2
136.05084	5.1
137.02342	24.1
137.03360	1.4
138.02711	1.6
146.03503	1.4
147.04472	7.0
149.02333	3.9
153.01843	2.7
154.02638	23.9
162.89235	2.3
163.00299	8.3
163.02602	1.4
163.03909	5.4
163.06351	3.3
163.07558	57.4
163.08937	2.9
164.04582	5.4
164.08006	3.9
173.93051	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91123	0.3
57.03326	2.0
59.01259	0.8
65.01324	0.5
65.99728	0.8
70.89909	0.8
70.90253	0.7
72.00779	1.7
82.03967	0.7
91.01778	1.9
91.05450	0.5
93.03355	1.2
94.02882	0.5
106.03968	0.6
108.02053	1.6
109.02835	0.7
111.00782	0.6
119.01260	0.5
119.04915	14.8
120.04414	0.5
120.05184	0.8
121.02826	1.2
121.04053	0.6
121.05092	1.4
122.03624	100.0
123.00809	0.5
123.03969	5.0
124.00658	0.8
124.01563	15.3
125.01875	0.6
134.03453	0.5
135.00737	1.1
135.04398	0.5
135.70430	0.4
136.01546	4.1
136.04993	0.6
137.02344	27.7
138.02704	1.5
147.04419	4.1
153.01875	2.4
154.02621	27.3
155.02956	1.9
162.11021	0.4
163.00279	3.2
163.03925	2.2
163.07552	47.5
164.01030	0.8
164.04567	0.8
164.06802	0.7
164.08122	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	163.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73402	0.2
59.73705	0.2
70.54176	0.7
91.01772	0.2
102.04725	0.2
108.02047	0.9
109.02843	0.2
111.00781	0.3
119.04926	2.0
120.63522	0.2
121.02851	0.8
122.03629	100.0
123.00806	0.2
123.03965	5.4
124.01554	10.5
125.01872	0.4
136.01564	2.7
137.02348	18.9
138.02675	1.1
147.04395	0.2
153.01828	1.9
154.02629	18.6
155.03021	0.9
163.07561	44.2
164.06601	0.4
164.07899	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	163.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40331	0.9
53.64198	1.0
65.01324	2.4
65.99727	1.2
66.92671	1.0
69.49487	5.1
69.49915	3.3
78.95172	1.0
82.03978	1.9
91.01755	3.6
93.03343	3.2
93.35596	1.0
101.34676	1.1
101.50338	1.1
106.24684	1.1
108.02026	1.3
119.01240	1.3
119.04914	43.0
119.79764	1.0
120.05299	2.4
121.02836	2.6
121.03970	1.9
121.05096	3.3
122.03624	100.0
123.03959	5.6
124.01559	12.3
127.21407	0.9
135.04485	1.4
136.01518	3.3
136.05051	1.5
137.02354	23.2
137.03368	1.6
149.02275	1.5
153.01837	1.1
154.02612	21.4
160.77995	0.9
162.89330	1.2
163.00266	4.6
163.03902	5.2
163.07558	38.3
164.00613	1.0
164.04491	1.9
164.07986	2.5
169.13495	1.0
175.74982	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0756
Annotation	Isoeugenol
Peak:m/z	Relative Intensity
50.58960	0.1
62.20281	0.1
65.00179	0.1
65.01315	0.3
65.99711	0.1
67.02879	0.2
69.78437	0.2
69.78847	0.4
74.60948	0.1
74.75459	0.1
80.55627	0.1
82.03979	0.8
83.02389	0.1
85.98996	0.1
86.23913	0.1
91.01747	0.6
91.05412	0.3
93.03327	0.6
95.06054	0.2
97.03934	0.2
98.20514	0.2
101.02348	0.2
105.03320	0.2
105.06992	0.1
106.04025	0.2
109.03921	0.1
117.03392	0.2
119.01261	0.3
119.04920	13.6
120.04408	0.2
120.05322	0.9
121.02843	2.4
121.03956	0.4
121.05079	1.2
122.03651	0.6
123.94594	0.1
127.65708	0.1
135.00777	0.4
135.04410	0.8
136.05092	0.5
146.03535	0.2
147.04428	3.4
148.05206	100.0
149.02313	0.2
149.05542	7.6
162.89304	0.2
163.00296	1.5
163.02461	0.2
163.03894	1.3
163.06151	0.5
163.07561	2.9
163.11261	0.2
164.00742	0.1
164.04538	0.3
164.07988	0.2
179.81767	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0392
Annotation	3-Oxo-3-phenylpropanoate
Peak:m/z	Relative Intensity
52.64677	0.2
52.68738	0.2
57.03318	0.4
59.01253	0.3
61.64569	0.2
64.01784	0.2
65.00214	0.3
65.01326	0.9
65.99727	0.9
66.00853	0.4
67.02892	0.4
68.01304	0.4
69.54798	0.2
70.46317	0.5
70.46716	0.3
71.01277	0.3
72.00787	0.9
79.02874	0.3
81.04446	0.4
82.03979	1.5
83.02388	0.4
84.50390	0.2
91.01769	1.8
91.02899	0.3
91.05435	0.4
92.02457	0.3
92.04942	0.3
93.00863	0.2
93.03333	2.4
93.04456	0.2
94.02854	0.3
95.01270	0.3
95.02378	0.2
97.03944	0.3
101.02347	0.2
106.04007	0.4
107.02422	0.4
107.40614	0.2
108.02060	0.6
109.03950	0.5
117.03384	0.3
119.04916	100.0
120.04434	0.4
120.05232	6.2
121.02863	1.3
121.03956	1.0
121.05075	2.2
122.03621	15.4
123.03970	0.8
124.01550	2.4
133.51558	0.2
134.03516	0.6
135.00743	0.6
135.04414	0.6
136.01497	0.5
136.04036	0.4
136.05037	0.9
137.02325	4.1
137.03423	0.8
138.02556	0.3
146.03439	0.3
147.04407	2.4
148.05180	0.6
149.02309	0.3
153.01807	0.8
154.01469	0.3
154.02635	4.8
162.89252	0.8
163.00276	2.5
163.02518	0.4
163.03915	6.9
163.05196	0.4
163.06229	0.8
163.07539	9.8
164.00772	0.2
164.03279	0.4
164.04483	1.2
164.06898	1.1
165.92908	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0393
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
57.00357	0.3
60.57310	0.2
65.00200	0.3
69.82103	1.3
71.01240	0.3
77.33502	0.2
78.95610	0.2
82.10942	0.2
84.98463	0.2
85.02833	0.4
91.01772	1.9
91.68836	0.2
92.04897	0.4
93.03336	1.7
95.28857	0.2
101.02333	0.4
107.04940	0.3
117.03336	0.2
119.01270	1.0
119.04919	100.0
120.04478	0.3
120.05248	6.0
121.02890	0.3
124.73805	0.3
125.02362	0.2
135.00783	1.1
135.04448	0.5
147.04471	0.3
163.00291	3.4
163.03926	6.9
163.06091	0.4
164.00748	0.3
164.04521	0.4
172.39635	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72231	0.2
60.36744	0.2
69.84957	1.1
72.99168	0.2
91.01746	0.8
91.05407	0.9
93.03341	1.9
101.02322	0.2
107.04921	0.2
117.03310	0.3
119.04919	100.0
120.04477	0.2
120.05248	5.9
121.03984	0.2
121.05077	0.5
122.03642	2.7
124.01616	0.3
135.00784	0.7
135.04405	0.4
136.03957	0.2
137.02351	0.9
147.04463	0.2
154.02626	0.8
155.67731	0.2
163.00290	1.4
163.02521	0.2
163.03934	4.4
163.06160	0.4
163.07561	1.6
164.04480	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33971	0.1
55.77089	0.1
65.01323	0.4
66.00821	0.2
71.01275	0.2
71.59893	0.2
81.04479	0.1
82.03988	0.7
91.01795	0.3
91.02913	0.2
91.54182	0.1
92.02441	0.2
93.03343	12.7
94.03675	0.7
107.47995	0.1
113.21893	0.1
118.02848	0.2
119.01305	0.2
119.04906	2.0
120.05570	0.3
121.02851	100.0
122.03210	4.7
124.01582	0.4
129.12524	0.2
132.05223	0.2
132.57927	0.2
135.00841	0.2
135.01872	0.3
135.04477	0.3
135.05536	0.3
136.01540	0.2
136.05092	0.2
137.02370	0.8
146.03481	0.2
147.04306	0.2
154.02623	0.8
160.04778	0.5
161.05978	0.3
162.01907	0.4
162.03131	0.2
162.06711	3.3
162.89250	0.2
163.00313	0.8
163.03889	0.5
163.06276	0.3
163.07581	1.6
168.62047	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45291	0.1
57.03327	0.3
65.01308	1.3
65.03841	0.2
65.99724	1.0
66.00840	0.3
66.03367	0.2
67.02893	0.4
68.01278	0.3
71.01240	0.3
71.56862	0.2
71.57212	0.2
71.57554	0.2
72.00774	1.2
77.01328	0.2
79.02896	0.2
81.04456	0.6
82.02888	0.2
82.03969	2.1
82.04380	0.2
83.02389	0.5
91.01766	1.4
91.02933	0.3
91.05392	0.5
92.02404	0.3
92.04967	0.3
93.03336	2.0
93.04454	0.3
94.02853	0.4
95.02390	0.4
96.00792	0.2
97.03935	0.4
100.21088	0.2
101.02284	0.3
106.04013	0.7
107.02419	0.4
107.04911	0.2
108.02076	0.6
109.03976	0.3
117.03383	0.4
118.04079	0.2
119.01312	0.8
119.04914	100.0
120.01962	0.2
120.04408	0.5
120.05226	5.8
121.02836	1.3
121.03976	1.0
121.05081	2.3
122.03617	14.7
123.03968	0.7
124.01545	3.0
124.02494	0.3
124.02783	0.2
134.03581	0.8
135.00758	0.7
135.01743	0.2
135.04410	0.8
135.05490	0.2
136.01541	0.9
136.03990	0.4
136.05057	1.5
137.02361	5.9
137.03441	0.9
138.02657	0.3
145.06477	0.2
146.03528	0.5
147.04424	3.2
148.05180	0.6
153.01845	0.8
154.02632	5.8
155.02911	0.4
162.89256	0.6
163.00279	3.0
163.02637	0.3
163.03912	6.5
163.06181	1.0
163.07535	10.2
164.03291	0.2
164.04564	1.3
164.07045	1.1
164.08147	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.0
55.04282	0.5
57.03305	1.0
59.01249	5.5
63.52687	0.4
64.21046	0.4
65.01327	2.6
65.99705	1.7
66.00848	0.4
67.01758	8.7
67.38153	0.4
68.85474	0.4
69.03299	0.9
69.73901	2.0
69.74306	1.0
70.22323	0.4
71.01255	6.0
72.54084	0.4
72.83459	0.4
72.99166	0.5
73.02817	3.8
81.03331	1.0
83.01257	1.6
85.02823	7.0
85.56185	0.4
87.00757	2.3
89.02310	1.1
91.02895	1.1
91.05416	1.1
92.02438	0.6
93.03330	29.4
94.03675	1.2
95.00706	0.4
95.01256	1.9
95.04857	0.5
97.02816	1.2
99.00761	0.9
99.04386	0.9
101.02325	1.2
102.04617	0.5
105.06952	1.3
106.04022	0.6
107.02419	0.6
108.02048	9.1
113.02335	0.7
115.05421	2.2
117.03342	1.5
117.06906	0.5
118.02850	0.9
119.02335	0.7
119.04915	5.7
120.01915	1.2
120.05392	0.5
121.02789	3.4
125.02367	0.7
130.04118	0.5
131.03406	1.4
131.04895	2.9
132.05692	1.2
132.48076	0.5
133.02850	1.2
133.06488	5.7
134.02548	0.8
134.03453	3.1
134.06798	0.5
140.84442	0.4
143.04939	5.8
145.02875	2.2
146.03627	9.2
147.04016	0.6
158.03650	1.0
159.04416	30.3
160.05109	4.4
160.89146	0.5
161.02493	2.1
161.04578	6.9
161.05977	100.0
161.19611	0.4
162.01891	1.1
162.03111	0.9
162.06354	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	158.045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.0
57.03325	22.2
58.02832	2.4
59.01250	5.9
67.01783	1.0
68.99688	2.2
69.03338	4.9
69.67693	1.6
69.68101	3.7
71.01255	11.6
72.99171	2.5
73.02831	6.9
75.00743	2.2
83.01268	4.5
84.04420	12.1
85.02821	10.6
86.05988	93.2
87.00758	5.2
87.04394	0.9
87.06316	2.7
92.95833	0.8
95.01274	1.6
96.04425	8.5
97.02836	4.3
97.06461	1.7
99.00761	13.5
100.03991	0.8
101.02333	3.3
111.00768	5.7
112.03931	100.0
113.02327	2.7
113.04276	5.0
113.09624	1.1
114.05497	18.1
115.03908	2.4
116.92768	0.9
120.27148	0.7
123.00775	0.9
129.01828	3.2
141.01843	2.6
143.56790	0.8
147.53732	0.8
151.66136	0.8
158.04523	30.2
158.08150	2.3
159.02913	8.4
159.04750	1.2
159.06573	1.3
159.10208	1.1
171.64450	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.06
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.8
57.03329	3.2
58.00452	1.0
59.01248	12.4
65.01317	5.9
65.99716	2.4
66.00851	0.7
67.01765	8.6
68.01284	0.6
69.03313	2.7
70.90698	0.9
70.91037	1.4
71.01254	14.3
72.99176	1.7
73.02817	8.0
81.03332	1.9
83.01276	3.9
84.02068	0.6
85.02824	14.1
85.23336	0.6
85.34966	0.7
87.00738	3.7
89.02325	1.7
91.02882	2.0
91.05402	1.9
93.00850	1.1
93.03334	28.8
94.03677	1.3
95.01252	2.6
97.02827	1.9
99.00748	1.7
99.04362	0.9
101.02334	2.9
104.02371	0.6
105.06950	0.9
106.03986	1.4
107.02362	1.1
108.02051	10.6
113.02321	2.5
115.05413	0.8
117.03297	1.2
117.07003	1.9
118.02865	2.0
118.04032	1.1
119.02407	1.4
119.04902	5.6
120.01921	2.2
121.02813	6.1
123.04376	0.9
125.02316	1.7
131.03395	4.1
131.04915	2.0
132.05643	1.1
133.02858	1.4
133.06483	6.3
134.02483	1.3
134.03487	7.3
134.06030	0.7
143.04932	7.2
145.02835	2.4
146.03641	7.5
158.03644	1.1
159.04422	33.2
160.05025	3.7
160.89230	1.0
161.02440	5.0
161.04544	12.3
161.05975	100.0
161.89320	0.8
162.01843	3.6
162.03024	2.7
162.06371	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	151.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.9
63.02262	1.2
64.80888	0.7
65.00204	6.2
65.01328	1.2
65.99704	1.5
66.03352	3.7
67.02876	2.0
68.01287	1.0
69.51136	1.6
69.51540	5.4
71.01241	1.8
72.04411	6.8
75.96362	0.8
80.96387	1.7
81.03329	2.2
81.04472	1.6
82.02841	1.4
83.01262	2.2
93.03355	2.2
95.01263	2.8
105.03328	0.9
107.01280	5.3
107.04910	6.0
108.02042	6.3
108.04462	1.4
109.02832	3.4
109.03940	4.4
109.06487	3.5
109.99050	2.7
110.02351	1.1
110.03467	1.0
122.03611	12.5
123.00754	2.0
123.04421	39.8
124.01516	1.7
124.04787	1.7
125.03468	1.1
125.05978	17.8
126.06308	1.2
133.22331	0.9
134.50584	0.9
135.04405	6.0
136.01563	35.7
136.05197	63.1
137.02283	3.7
137.05540	4.4
150.03154	1.4
150.06757	3.6
151.00339	1.8
151.03935	39.4
151.04964	2.5
151.07550	100.0
152.00125	2.5
152.03358	2.1
152.04449	2.6
152.07896	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	152.0345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	0.7
65.00196	0.3
65.03837	0.3
65.99710	0.1
66.03357	2.4
67.01757	0.1
67.02890	0.2
68.99692	0.2
69.03323	0.3
69.31441	1.4
72.04417	2.0
72.99182	0.1
75.15601	0.2
80.96388	0.7
81.03348	1.1
81.04444	0.2
82.02869	0.2
83.01268	0.6
83.02382	0.2
83.04885	0.1
85.02838	0.1
91.01747	0.4
95.01262	0.2
96.95905	0.2
97.02843	0.2
106.04132	0.2
107.01265	0.2
107.36068	0.1
108.02061	3.4
108.02802	0.2
108.04459	0.3
109.02841	44.6
109.99068	0.5
109.99983	1.2
110.02360	0.2
110.03479	0.2
110.07111	0.1
121.02861	1.5
122.03630	48.6
123.00763	0.4
123.03928	3.2
124.01567	0.2
124.03889	0.2
124.04729	1.6
125.02353	1.1
125.03323	0.2
135.04396	0.4
137.01936	0.5
137.99490	1.1
151.00253	0.5
152.03438	100.0
153.01836	10.3
153.03781	6.0
153.05504	0.3
153.09193	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	156.0657
Annotation	N-ACETYLPROLINE
Peak:m/z	Relative Intensity
55.01745	1.3
56.02097	0.8
57.03325	0.4
59.11626	0.5
59.41550	0.4
68.99690	1.4
69.03323	0.9
70.14218	2.3
71.01260	1.8
81.22223	0.4
83.01255	0.7
84.01576	0.5
84.04422	0.6
85.02825	0.8
87.00753	0.5
87.40218	0.4
96.99146	0.4
97.00333	0.6
97.02836	0.5
98.19843	0.5
99.00764	1.4
104.26774	0.5
111.00783	0.6
112.03938	0.7
113.05956	1.1
113.09625	0.7
114.05496	100.0
115.05820	4.9
127.00274	2.6
128.00572	0.6
142.02605	0.6
145.23962	0.5
156.06552	4.9
156.89378	2.4
157.01353	1.0
157.04991	1.1
157.08656	2.3
157.12231	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	150.0315
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02859	0.5
59.01246	1.7
62.40506	0.4
63.02275	2.9
65.00199	2.7
65.01321	3.2
65.99729	3.6
67.01783	0.9
67.02879	3.0
67.09563	0.4
68.01286	1.2
68.99686	1.0
69.03326	0.5
69.63315	3.6
69.85746	0.4
71.01266	3.7
72.01595	1.9
73.02819	1.4
78.03368	0.5
79.01768	0.9
79.02907	0.7
80.02519	0.6
81.03345	0.7
81.04439	1.1
82.02871	0.8
83.01285	1.5
83.02383	1.5
88.01106	0.7
89.02322	4.5
90.02650	4.2
91.02859	1.4
92.02454	0.5
93.03346	3.8
94.02853	0.7
95.01280	2.8
95.02410	0.7
95.04908	1.8
96.00803	0.5
101.02319	1.4
105.03350	0.9
106.04018	1.2
107.01270	2.0
107.02422	0.7
107.04922	2.1
108.02056	5.6
108.04427	1.0
108.05577	1.5
109.02839	1.6
109.03958	2.3
120.01914	1.7
120.05572	0.5
121.02850	14.0
122.02393	0.7
122.03672	12.9
122.05997	0.5
123.00813	6.3
123.01907	3.3
123.04417	44.5
124.01552	1.9
132.03748	0.5
133.02878	0.9
136.01572	31.1
137.02350	4.1
139.03932	4.0
149.02361	8.5
150.03142	100.0
151.00327	1.4
151.03946	41.5
154.02635	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	150.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.0
65.00191	0.8
65.01325	2.0
65.99718	1.2
67.01755	1.0
67.02884	3.1
68.01264	0.4
68.99698	0.5
69.49438	3.1
71.01263	2.5
72.01590	0.9
73.02825	0.8
79.01779	0.4
79.02879	0.4
80.04942	0.6
81.03343	1.4
81.04458	1.3
82.02882	0.8
82.04015	0.4
83.02381	1.0
87.00770	0.5
88.01105	0.7
89.02333	2.5
90.02673	2.0
91.02841	1.1
92.02426	0.7
92.04915	0.7
93.03356	1.9
95.01276	1.6
95.02393	0.9
95.04907	1.5
101.02316	0.6
105.03333	1.5
106.04009	0.6
107.01227	0.7
107.02422	0.4
107.04919	3.1
108.00845	0.4
108.02034	4.5
108.04437	2.0
108.05535	1.9
109.02837	1.1
109.03983	2.9
120.01942	1.2
120.05569	0.6
121.02866	3.9
122.02397	0.4
122.03654	11.3
122.06011	1.8
123.00861	1.9
123.01937	1.6
123.04416	45.0
124.01551	1.2
132.03712	0.5
132.05589	0.6
133.02884	0.4
136.01582	23.6
136.03941	37.6
137.02339	2.3
137.04259	2.5
148.07570	0.5
150.00084	1.0
150.03033	3.8
150.09158	100.0
151.03923	42.7
151.04889	1.5
151.07501	1.3
151.09499	7.2
154.02628	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	150.0313
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00863	0.7
59.01229	1.3
64.73224	0.8
65.01308	3.5
65.99715	2.2
67.01764	1.4
67.02879	2.5
68.37428	0.8
69.76302	2.1
69.76714	3.4
71.01262	5.0
72.01593	2.3
73.02823	1.2
78.03339	1.6
79.01754	0.8
81.03341	1.4
83.02406	1.0
88.01098	1.0
89.02309	5.8
90.02648	6.2
91.02778	1.1
93.03325	4.0
95.01251	3.8
95.04881	1.3
101.02294	1.9
106.04070	0.8
107.01295	1.0
107.02367	1.0
107.04916	4.7
108.02058	4.7
108.02721	0.7
108.04464	1.5
108.05522	1.2
109.02850	1.8
109.03963	2.0
120.01929	2.0
121.02847	12.1
122.03675	9.3
123.00769	7.9
123.01878	2.7
123.04399	27.9
124.01543	1.7
127.95269	0.8
136.01558	41.4
137.02338	3.0
139.03874	4.3
149.02327	9.5
150.03119	100.0
150.04776	3.1
150.04967	3.3
150.09138	1.2
151.00278	1.8
151.03931	32.0
151.05070	1.2
154.02647	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	5.7
69.03325	2.3
70.91294	1.9
71.01252	30.3
72.01590	1.3
72.99183	7.8
73.02818	18.8
87.00750	18.8
88.01123	1.1
89.02318	100.0
90.02668	2.8
101.02308	1.3
103.03904	4.5
110.30599	0.8
131.03400	9.1
132.03731	1.2
149.00813	3.1
149.04457	24.1
150.04733	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	3.2
64.01793	1.0
65.00211	0.6
65.01315	2.9
65.99716	1.8
67.02879	1.9
68.99662	0.6
69.03313	1.6
69.64827	3.0
70.78701	0.4
71.01254	14.9
72.01572	0.7
72.99194	2.1
73.02815	6.6
75.00741	1.0
77.03844	0.7
81.04465	1.2
82.00472	0.6
82.03988	0.4
83.02393	0.7
87.00764	5.5
89.02317	38.0
90.02662	1.3
91.02901	0.7
92.02522	1.3
93.03339	33.5
94.03664	1.2
94.99225	0.9
95.01270	8.5
95.02369	1.2
95.04912	0.7
103.03883	1.0
106.01585	0.4
106.04003	2.4
107.02390	0.9
107.06046	0.6
108.02052	34.8
108.05561	1.6
109.02386	2.0
109.03944	0.6
114.86351	0.4
120.01954	1.2
121.02847	10.1
122.02408	0.4
122.03448	1.3
123.00776	0.9
123.01864	1.1
131.03400	2.2
134.03622	0.8
149.02347	5.1
149.04567	6.9
149.05984	100.0
150.00137	0.8
150.02980	1.2
150.06358	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	149.06
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.5
64.01786	0.5
65.00194	0.9
65.01314	1.8
65.99715	1.7
67.01765	0.4
67.02882	0.9
69.03325	1.2
69.99921	1.0
70.00329	1.1
71.01257	17.2
72.01607	0.8
72.99185	2.6
73.02823	8.3
77.03829	1.6
80.02505	0.4
81.04456	0.8
87.00751	6.0
88.01102	0.5
89.02320	48.3
90.02652	1.7
91.02865	0.6
93.03336	4.5
94.99191	1.0
95.01278	2.0
95.04877	1.1
98.19914	0.5
98.20441	0.7
101.02319	0.7
103.03893	1.4
103.05424	0.8
105.03329	0.6
106.04039	2.5
107.02296	0.5
107.04908	0.6
108.02033	3.9
108.05592	1.0
111.00777	0.7
119.04959	0.7
120.05593	0.5
121.02849	11.0
121.06463	0.4
122.03639	7.4
123.04426	1.0
124.01551	1.5
129.03387	1.1
130.04114	1.2
131.03433	2.7
131.04948	2.5
134.03627	1.4
136.03917	0.7
137.02361	2.0
139.03902	0.6
147.04443	8.3
148.05214	17.3
149.00990	0.8
149.02357	5.9
149.04530	9.7
149.05986	100.0
150.00121	1.0
150.02992	1.3
150.06352	8.9
150.09157	1.0
154.02611	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0523
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	2.8
61.58017	0.7
65.00199	0.9
65.01314	4.8
65.99718	1.5
68.99682	1.9
69.03308	1.4
69.80431	5.5
71.01257	16.1
72.99187	1.2
73.02822	8.6
75.00771	0.8
77.03830	1.3
79.02921	1.1
79.05431	1.0
81.04473	0.9
85.08883	0.8
87.00761	6.6
89.02322	42.0
91.05412	5.8
92.05779	1.0
93.03332	9.9
93.95957	1.0
95.01265	2.1
95.04890	4.0
103.03886	2.0
103.05428	3.0
105.03368	6.9
105.04498	2.6
106.04009	5.1
119.04936	7.4
120.05347	0.9
121.02853	53.9
122.03239	3.0
131.03407	3.5
147.04428	37.3
148.05205	100.0
149.01106	1.4
149.02370	7.3
149.04475	9.6
149.05626	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	149.0083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19105	0.9
53.74172	1.0
55.05375	0.9
59.01250	27.7
59.31111	1.1
70.91271	2.9
71.01257	15.4
72.99181	97.8
73.02815	7.5
73.99503	1.6
75.00754	4.9
78.94306	1.1
87.00751	100.0
88.01093	3.5
89.02319	44.5
90.02665	1.3
103.00250	11.5
105.01808	6.9
121.02853	2.3
123.87428	0.9
130.99710	3.0
131.03392	3.7
149.00812	40.7
149.04466	10.8
150.01131	1.5
150.04675	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0083
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78009	1.6
59.00985	2.3
59.01255	28.4
71.01254	4.5
71.32024	3.1
72.99183	96.2
73.02805	2.0
75.00751	5.2
83.68682	1.4
87.00752	100.0
88.01087	3.8
89.02319	15.9
101.77395	1.3
103.00251	9.7
105.01808	6.5
112.31992	1.9
130.99779	2.1
148.99669	2.8
149.00821	38.7
149.04474	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	149.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34742	1.8
59.01246	6.2
71.01255	41.0
71.20410	4.9
72.99181	5.6
73.02824	20.9
75.00738	3.0
75.13155	2.1
83.36781	1.8
86.74281	2.1
87.00751	12.2
89.02317	100.0
103.03895	2.1
131.03397	5.1
149.04445	18.2
150.04761	2.9
163.97041	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	149.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	7.4
65.32600	1.0
67.79317	1.1
69.03326	2.3
69.54024	4.0
69.54453	5.0
71.00843	1.7
71.01249	34.3
72.99161	5.5
73.02818	20.1
75.00756	4.0
77.59100	1.1
87.00758	15.8
89.02317	100.0
90.02632	2.4
103.03889	3.2
131.03397	8.7
138.50531	1.2
149.00862	2.9
149.04462	24.0
160.66608	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64405	1.1
52.24946	1.1
58.26072	1.3
65.01310	2.0
67.36858	1.2
69.06807	1.0
69.64203	8.2
70.46546	1.0
71.10417	1.0
79.04206	1.0
93.98178	1.1
106.04122	100.0
107.04441	5.3
108.02055	32.8
108.02792	1.1
109.02367	2.3
119.04861	2.0
120.05488	1.3
121.03928	1.1
138.03139	13.3
147.03346	1.3
147.04436	8.2
147.08058	19.3
148.05043	3.5
148.08388	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	147.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84958	2.8
59.01246	4.0
61.93043	2.7
65.01316	10.2
65.99722	5.5
68.01292	2.7
72.99184	3.2
75.00778	2.9
105.04530	2.6
106.04134	100.0
107.04458	7.9
108.02061	39.2
109.02380	4.1
119.04904	7.7
120.01940	3.5
120.05577	4.0
134.07346	2.8
138.03110	14.8
147.03032	2.9
147.04425	11.9
147.05510	3.1
147.06862	4.4
147.08067	21.4
148.05080	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	147.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
70.76207	22.0
71.18975	56.0
102.73071	22.6
110.61598	25.6
119.04932	35.7
119.93922	24.3
133.98668	28.8
147.04428	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46268	7.0
68.42471	8.2
71.39326	8.3
72.99200	9.4
101.03848	13.5
108.81541	7.5
117.03354	13.4
119.04890	35.1
134.59137	7.1
147.04427	100.0
148.04965	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	147.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.81793	14.8
60.15036	15.5
92.50549	14.5
98.19765	36.8
117.03420	18.8
119.04903	45.2
147.04427	100.0
161.68652	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	144.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
61.31606	1.4
68.18217	1.5
71.01259	14.5
71.21873	2.9
82.06499	1.3
87.00735	2.5
88.97916	1.3
96.04427	2.1
98.05994	4.7
99.06492	1.3
102.05461	1.9
126.05524	9.3
127.00265	2.2
142.04991	8.9
144.06566	100.0
145.06927	5.1
164.01094	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02181	0.5
65.01316	0.6
70.97041	0.7
70.97376	1.1
72.99168	0.8
80.12457	0.7
83.04904	2.2
95.66647	0.5
97.06466	3.6
99.08035	100.0
100.08360	6.3
107.98251	0.6
118.02902	0.6
118.03976	1.8
119.02396	1.2
120.62426	0.6
127.07520	1.3
143.07043	1.3
145.05112	1.3
145.08607	26.0
146.02370	1.6
146.03481	1.0
146.08965	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	145.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00224	0.9
64.01778	1.5
65.01328	3.0
65.99715	1.4
66.00840	0.5
72.99178	0.7
77.01334	1.6
81.03401	0.6
81.04445	0.7
83.04906	1.7
84.02066	0.6
88.07067	0.5
91.02925	1.1
97.06474	6.6
99.08037	100.0
100.08384	6.6
101.05954	1.0
117.03333	1.4
118.02907	1.8
118.03979	4.0
119.02407	2.3
127.07564	2.4
129.04558	0.5
141.25060	0.5
143.07080	0.9
145.02838	1.3
145.04013	0.8
145.05025	3.1
145.06908	0.9
145.08615	26.3
146.02388	6.7
146.03522	3.0
146.08926	2.0
152.11476	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23985	16.1
69.96349	39.5
69.96769	72.4
71.01221	17.4
71.60603	15.6
72.99175	39.1
75.00748	29.5
112.12112	15.4
113.89120	17.6
119.04927	18.5
139.15807	15.8
147.01927	39.5
147.03314	13.7
147.04391	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
60.64970	4.9
65.01317	13.7
69.48405	48.3
72.99171	5.1
77.38615	5.2
79.02926	6.0
92.24873	5.2
101.03859	16.6
106.04019	6.5
117.03355	10.9
119.04912	42.8
121.02920	5.5
121.03979	6.0
128.55814	5.4
147.03218	6.1
147.04416	100.0
147.06490	4.7
148.04967	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	142.9976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50650	1.1
53.00191	5.4
59.01238	3.2
68.99702	2.3
71.01252	16.8
72.17426	1.0
72.99183	1.4
73.02821	1.3
83.01261	1.9
87.00765	3.3
96.99194	8.5
97.06523	1.2
98.05981	3.2
112.98709	8.0
113.20071	1.0
115.00207	1.7
119.14127	0.9
124.98695	16.7
125.99026	1.1
126.05526	8.3
140.98224	2.5
142.05008	10.5
142.99754	16.8
143.07054	2.0
143.10695	1.8
144.00101	1.2
144.04692	2.5
144.06567	100.0
158.99280	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	142.9977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00185	11.3
53.83712	4.2
55.01744	5.1
58.02826	4.5
58.26970	3.9
59.01238	8.2
60.92964	4.0
68.66910	4.8
68.78368	3.3
70.84235	3.8
70.97694	7.7
70.98029	6.0
71.01258	43.5
72.99170	4.4
75.24613	4.1
79.25461	3.9
83.33881	3.9
85.02797	5.2
87.00764	11.2
87.89069	4.2
96.99179	16.4
98.06022	5.1
112.98693	24.6
118.80387	4.1
118.93343	4.0
124.98701	42.5
126.05494	5.6
142.04990	8.0
142.99783	41.1
143.03450	5.1
143.10646	8.1
144.06566	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	144.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.3
58.02846	2.8
59.01242	1.8
64.59231	0.6
70.75340	1.3
70.75717	1.4
71.01254	14.2
71.04910	0.9
72.01560	0.8
72.99176	1.3
73.02814	1.7
73.82667	0.6
77.48631	0.6
79.07499	0.7
83.01270	1.8
83.04900	1.1
87.00754	4.1
87.92442	0.5
96.04432	2.5
98.05998	5.4
100.07568	1.0
101.05958	0.9
102.05492	3.6
115.00269	2.6
121.31387	0.6
125.99019	1.5
126.05497	7.5
127.00270	1.6
127.05862	0.9
142.05006	9.6
144.00116	1.2
144.06569	100.0
145.01396	0.9
145.06917	5.8
156.07272	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86744	0.6
59.01247	0.8
70.71400	1.6
71.01258	12.1
73.02800	0.7
76.55679	0.8
82.06532	1.1
87.00774	0.8
88.60779	0.8
95.62204	0.7
96.04445	2.9
98.05978	4.2
99.00768	1.6
126.05501	8.2
142.05005	9.9
143.05392	0.8
144.06572	100.0
145.06929	6.5
159.91872	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44860	4.4
55.01763	12.4
57.03311	20.2
59.01241	5.5
67.01766	12.1
68.01287	4.6
68.99687	39.5
69.03330	63.0
69.87807	3.7
70.02847	33.4
70.03665	4.0
70.33183	18.0
70.33533	4.1
70.92758	4.4
71.01251	32.1
71.04884	10.2
71.40214	4.5
71.74542	3.9
72.99173	3.9
73.02826	7.5
77.35879	4.0
79.01801	5.2
81.02083	11.6
83.01264	13.3
84.82011	4.3
85.02830	63.9
86.02380	3.6
94.02871	4.2
95.01265	69.5
96.04423	48.9
96.83421	4.0
97.02826	44.4
98.02368	6.8
98.06016	28.5
98.50158	4.2
99.00758	67.2
100.03932	6.0
111.00761	12.8
112.98690	34.0
113.02348	29.4
123.00773	53.8
125.02315	9.1
139.00266	5.1
140.98216	19.3
141.01830	100.0
142.01308	7.2
142.04999	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	141.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	5.3
59.01257	11.9
64.01796	5.4
67.01766	4.3
68.99702	5.1
69.03317	4.3
69.51772	12.3
69.52184	24.4
71.01272	4.9
71.36472	4.9
74.29454	4.0
75.85129	3.5
89.14993	4.3
95.01304	4.5
96.04404	4.3
97.02843	7.4
97.03986	5.0
98.20647	4.4
100.03951	6.7
114.00867	9.0
115.02919	13.0
117.96748	4.9
123.08031	8.1
141.01878	22.3
141.09108	100.0
142.04024	17.9
142.09448	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	142.05
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00193	4.2
54.04177	0.8
54.66530	0.8
57.27987	0.9
57.42516	1.0
58.02850	17.8
59.01261	1.2
65.86462	0.8
68.99722	0.9
70.73730	0.8
71.01256	7.8
71.04916	1.1
71.57480	1.2
72.99194	1.0
80.99714	1.0
81.03355	0.9
87.00753	2.5
93.47657	0.7
96.04460	1.3
96.99195	6.1
98.05994	8.4
100.03922	100.0
101.03618	1.0
101.04205	4.2
110.57037	0.9
112.98699	4.6
115.00291	1.6
124.98689	10.7
140.98222	1.1
142.04991	3.7
142.99771	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	139.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	3.7
56.48946	0.8
57.81937	1.0
58.02847	1.5
62.62625	0.9
65.99699	0.9
67.01759	6.9
68.01295	1.1
68.99674	3.5
71.57626	1.2
79.93922	0.9
81.03340	1.0
81.04460	1.1
82.03967	4.1
83.01252	3.0
83.02379	3.0
95.01259	1.5
95.04876	1.2
95.22530	0.9
96.04421	1.6
97.02832	1.1
97.03946	3.3
98.02361	2.2
98.03445	1.6
109.03974	1.4
111.00760	29.1
112.03924	0.8
115.64037	0.8
116.01141	0.8
123.04417	12.9
124.01517	1.8
124.05331	0.8
139.00287	10.7
139.03938	12.8
139.07547	100.0
140.00957	1.1
140.02460	2.3
140.03404	1.3
140.04420	1.2
140.07898	7.4
149.15475	0.9
154.51952	0.8
156.04224	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	139.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	14.5
57.03317	9.8
60.54270	2.5
67.01759	28.1
68.01273	3.3
68.99686	10.0
69.03330	13.4
71.35790	6.3
79.95651	2.8
82.03992	7.9
83.01266	12.7
83.04897	7.4
85.06440	15.1
93.03347	3.7
95.01285	3.2
95.04929	9.3
96.04446	3.1
97.02850	3.0
97.06472	29.6
111.00764	100.0
111.04415	3.8
112.01080	4.3
123.08041	11.7
124.01578	4.0
127.95781	3.1
137.09558	3.2
139.00294	31.5
139.03908	12.3
139.11191	42.9
140.02327	4.1
140.03409	7.3
140.11569	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	136.0523
Annotation	Isoniazid
Peak:m/z	Relative Intensity
64.01810	1.2
65.00191	1.1
65.01324	3.6
65.03857	2.0
65.99722	2.5
66.03362	1.5
67.01797	1.1
67.02882	5.2
67.62669	0.8
68.01302	1.7
69.03316	0.8
70.14249	3.5
78.95788	1.7
81.03350	3.7
81.04475	1.2
82.02858	0.9
91.01785	1.4
92.04949	2.4
93.03339	75.9
94.02870	3.3
94.45689	0.8
95.02409	2.8
95.04921	0.8
96.03181	2.9
106.04008	7.5
107.04906	1.7
107.27045	0.9
107.78697	1.0
108.02057	11.2
108.04490	1.1
109.02844	10.0
109.03999	3.7
118.04012	1.9
119.01309	1.1
122.03622	2.9
135.04454	8.1
136.01591	12.2
136.05208	100.0
136.89139	2.2
137.02353	71.9
137.03291	3.0
137.05482	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	138.0187
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
59.01244	0.3
67.01751	0.8
68.01265	0.4
71.60063	0.7
72.78644	0.3
74.50578	0.3
76.18633	0.3
78.06161	0.3
91.45415	0.3
94.03692	0.8
95.01257	0.7
108.02055	91.6
109.02390	5.9
111.00771	2.7
138.01875	100.0
139.00272	1.1
139.01270	0.4
139.02231	7.3
139.03899	0.7
139.04971	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0187
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
55.01751	1.3
56.25560	0.6
57.40845	0.6
63.67229	0.6
67.01759	2.9
68.01268	1.0
68.99670	0.9
69.67803	2.4
69.68221	1.8
81.04440	0.6
83.01239	1.1
91.32059	0.6
94.02853	0.9
94.03664	1.7
95.01266	1.2
108.02050	91.8
109.02377	5.5
110.02362	1.1
111.00069	0.9
111.00767	10.1
111.01910	0.7
118.33260	0.6
120.01880	0.6
123.03179	0.8
129.47220	0.6
137.01889	0.6
138.01860	100.0
139.00273	4.4
139.02211	5.3
139.03888	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41029	0.6
57.20588	0.5
58.00457	1.2
59.01245	9.0
62.41908	0.5
65.01321	0.6
65.99719	1.3
70.90118	1.7
71.01252	15.8
72.01596	1.1
72.99179	20.5
73.01654	7.7
74.99617	3.5
75.00745	100.0
75.78751	0.5
76.01083	1.9
80.01288	0.8
80.96400	0.8
87.00744	4.7
89.02319	6.0
91.02744	0.7
92.04926	0.9
93.03355	1.0
106.04113	1.2
107.04907	3.2
108.02038	2.4
108.78963	0.6
110.19518	0.6
115.00253	3.4
117.00679	13.0
117.01630	0.9
117.01766	0.7
118.01045	0.9
120.78844	0.6
134.03590	3.5
135.01778	3.7
135.02881	13.6
135.04405	11.3
135.97014	2.5
136.01563	1.5
136.04823	0.7
151.92635	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63274	0.7
59.01251	7.3
65.99721	1.7
69.90343	3.8
71.01261	5.9
72.99185	15.7
75.00747	100.0
76.01084	1.2
80.96387	0.7
85.02829	0.8
87.00747	5.4
89.02320	5.3
92.04941	1.4
93.03348	2.2
98.20480	1.0
99.92452	1.3
106.04075	1.7
107.04913	5.8
108.02024	3.9
117.01807	0.9
117.03356	0.9
128.71848	0.7
134.03622	7.8
134.89374	7.9
135.01939	0.7
135.02890	17.6
135.04411	28.8
136.01555	2.0
136.04816	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	135.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00224	0.9
59.36336	0.7
64.01810	1.6
65.01328	8.4
65.03842	0.9
65.99721	5.7
66.00832	1.0
66.01651	0.8
66.03360	1.1
67.01766	1.5
67.02879	1.5
68.01299	0.7
69.70003	1.7
69.70415	2.8
71.01246	1.0
72.99203	0.9
75.00761	2.7
79.02910	1.2
79.05408	0.7
80.01296	0.8
81.03345	2.1
81.32998	0.6
82.02856	0.9
85.02856	1.3
89.03857	1.8
91.02903	0.9
91.05409	3.5
92.02429	3.2
92.04984	1.5
93.00825	0.9
93.03326	6.2
93.04441	1.6
94.02872	0.8
95.02398	1.4
96.03189	2.4
98.20461	0.9
105.03352	1.3
106.04034	9.9
107.02456	1.2
107.04916	31.5
107.97246	0.7
108.02058	10.2
108.02728	1.1
108.04513	1.3
108.05274	1.7
109.03999	2.2
117.03384	2.7
117.04520	0.7
118.03991	1.6
121.02784	1.2
123.04453	1.2
132.43793	0.6
134.03639	41.0
135.04440	100.0
136.01486	3.2
136.03883	1.1
136.04889	9.2
136.07573	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	3.6
59.01241	3.4
59.85357	0.6
68.62124	0.6
69.03324	1.1
71.01256	100.0
71.21386	1.4
72.01588	3.9
72.99183	14.2
75.00741	1.9
87.00755	23.3
87.04385	6.2
88.01101	0.9
89.02316	11.4
107.03484	1.3
107.36832	0.7
115.00260	35.5
116.00578	1.9
126.70255	0.6
133.01335	7.3
133.02838	1.1
133.04961	23.6
134.03603	1.3
134.04596	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45156	0.3
52.07842	0.3
65.01324	3.6
65.99715	1.3
68.01270	0.3
71.01254	6.7
72.99178	4.5
75.00738	0.9
78.26629	0.4
89.02301	0.6
91.02908	1.4
91.05416	1.3
92.02415	1.1
93.03320	0.8
95.04898	2.8
102.51915	0.4
105.03378	0.5
105.07000	1.5
106.04105	7.5
107.02418	1.4
107.03451	0.4
107.05003	0.7
108.02053	1.7
115.00253	6.7
123.04401	7.5
124.04753	0.5
130.04144	1.5
131.04930	9.9
132.05711	24.4
133.01370	1.3
133.03949	1.8
133.06491	100.0
134.03528	3.9
134.04622	1.1
134.06819	10.7
138.03122	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02857	0.5
59.01256	2.3
60.16080	0.5
60.82029	0.5
70.86333	0.9
71.01255	100.0
72.01594	2.3
72.99183	23.9
74.86247	0.5
80.81541	0.5
87.00757	1.8
89.02322	9.0
89.65146	0.5
115.00259	93.6
116.00603	3.9
122.94804	0.6
133.01326	16.0
133.04990	0.8
134.01706	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	3.6
59.01249	2.9
60.94668	0.9
70.54961	2.6
71.01254	100.0
72.01585	3.2
72.99181	41.1
75.00755	8.0
87.00760	14.8
87.04389	6.6
89.02318	10.6
92.02440	1.2
107.03507	2.0
115.00261	66.7
116.00619	2.7
133.01328	11.3
133.02846	2.8
133.04964	22.5
134.02504	1.0
134.03615	4.0
134.04610	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	133.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50926	1.1
56.62691	1.0
57.03323	2.2
59.01247	1.9
64.33353	1.1
71.01257	100.0
71.05992	1.3
71.06344	2.6
72.01591	3.4
72.99185	21.3
73.57753	1.3
75.00753	3.6
87.00751	17.2
87.04396	5.3
89.02314	8.7
97.25293	1.2
110.33381	1.1
115.00262	67.9
115.91895	1.7
116.00585	2.9
132.10378	1.2
132.90085	1.4
133.01337	11.7
133.04956	20.6
134.03577	2.1
134.04616	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	133.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	2.6
61.13399	2.3
63.51677	2.3
69.85925	2.5
70.71635	7.9
71.01254	100.0
72.99181	40.7
75.00739	7.1
78.20860	2.6
89.02326	10.2
115.00254	87.9
116.00556	3.5
122.46409	2.5
126.77910	2.6
132.88461	5.5
133.01332	15.2
133.04953	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	131.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00209	0.3
57.03311	0.8
59.01242	0.6
63.52071	0.3
64.01788	0.4
65.01325	3.2
66.01638	0.5
67.02896	1.9
69.03326	6.8
69.38795	1.0
69.39217	2.4
70.03661	0.4
71.01254	2.2
72.99171	0.8
73.02829	2.9
77.01335	0.7
81.04454	0.5
83.04897	1.3
85.02819	2.8
85.06463	100.0
86.02366	0.4
86.06798	5.2
87.04382	2.0
89.01311	3.3
90.01651	0.5
91.02888	2.2
94.24185	0.4
99.83450	0.4
104.02457	1.0
105.04456	0.9
113.05951	1.4
127.01568	0.3
128.81424	0.4
129.05455	1.4
130.02760	0.8
131.03525	10.3
131.04373	0.6
131.07036	29.4
132.04565	0.5
132.05527	2.0
132.07338	2.1
136.05862	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00225	1.0
57.03325	1.1
59.01237	0.6
60.81341	0.6
65.01325	4.2
66.01654	0.7
67.02885	2.3
69.03326	9.5
69.81711	3.0
70.03691	0.6
71.01250	1.9
73.02812	2.9
74.02438	0.5
77.01324	1.2
83.04864	0.8
85.02815	2.8
85.06465	100.0
86.06799	5.5
86.15875	0.6
87.04382	2.1
89.01332	3.4
90.00892	0.7
91.02905	3.3
98.19873	0.8
99.40263	0.6
105.04484	1.0
107.59141	0.6
113.05968	1.8
129.05502	1.0
130.02786	1.1
131.03529	10.0
131.04376	0.9
131.07043	29.6
132.05576	2.5
132.07411	1.9
147.42712	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	2.0
59.01237	2.7
59.57622	1.2
71.01253	100.0
71.20379	3.1
72.01599	3.4
72.99180	31.7
75.00731	4.0
87.00723	6.3
87.04366	2.1
89.02333	9.1
92.02414	2.4
107.03513	7.4
115.00257	98.7
116.00573	3.1
133.01328	15.7
133.04958	7.5
134.03606	2.1
134.04588	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	131.034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17661	2.0
52.30265	1.9
57.03329	4.3
58.00456	2.1
59.01246	11.7
69.03339	3.2
71.01254	66.6
71.06720	5.6
72.01586	2.2
73.02819	100.0
74.03158	2.9
76.47935	2.1
85.02829	17.5
85.06503	2.6
87.00764	6.2
87.04390	12.0
88.03894	2.8
89.44443	2.1
131.03500	10.4
144.45146	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	131.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12311	0.3
56.85209	0.4
57.03328	0.6
59.01259	0.4
61.05200	0.3
65.01323	2.8
65.99718	0.5
67.02881	1.6
69.03331	16.1
70.03671	0.6
71.01228	1.7
71.59578	0.5
73.02822	3.0
77.01321	0.4
81.04443	0.4
81.56676	0.4
85.02824	2.8
85.06465	100.0
86.06808	5.1
87.04384	1.7
89.01326	3.2
90.00854	0.5
91.02906	2.0
91.23295	0.3
92.04030	0.4
104.02404	0.7
105.04453	0.5
113.05984	3.3
116.31464	0.3
129.05441	1.4
130.02762	0.5
131.03529	7.5
131.04379	0.8
131.07039	29.3
132.01930	0.4
132.04520	0.8
132.05576	1.6
132.07368	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	26.7
57.03325	47.5
58.02858	8.6
60.93696	5.7
63.95112	4.7
65.01335	5.5
67.01768	92.0
68.99693	16.9
70.45197	18.9
71.01276	11.9
72.99154	6.4
73.02824	6.5
83.01258	6.6
85.02828	100.0
85.03339	5.5
87.00730	6.5
88.03912	70.7
112.04024	4.7
129.01833	18.5
129.05489	45.3
130.03989	17.8
130.08643	9.6
147.41039	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	130.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	5.7
57.05083	1.3
57.40349	1.4
59.01252	3.0
63.24741	1.2
65.01322	2.0
66.03362	1.5
68.16165	1.4
69.03333	1.8
71.01262	18.6
71.15276	3.0
72.99172	1.3
73.02433	2.5
73.02818	23.8
74.52704	1.2
76.11282	1.3
79.08627	1.2
85.02828	17.8
85.06483	1.8
87.04389	23.0
88.03915	2.0
89.01359	1.5
103.92703	1.4
113.02364	1.6
113.05946	1.9
130.04076	9.3
130.08633	100.0
131.03459	11.6
131.08963	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	130.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02850	3.8
70.02857	18.3
71.01242	9.3
71.02378	4.2
71.56369	2.8
72.00781	10.7
73.02824	22.2
85.02828	3.1
87.04388	4.8
88.03912	4.8
95.02390	5.7
113.03471	10.1
114.01843	21.5
130.04021	4.5
130.04930	2.1
130.08635	100.0
131.03459	2.1
131.08987	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	129.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	26.7
57.03325	47.5
58.02858	8.6
60.93696	5.7
63.95112	4.7
65.01335	5.5
67.01768	92.0
68.99693	16.9
70.45197	18.9
71.01276	11.9
72.99154	6.4
73.02824	6.5
83.01258	6.6
85.02828	100.0
85.03339	5.5
87.00730	6.5
88.03912	70.7
112.04024	4.7
129.01833	18.5
129.05489	45.3
130.03989	17.8
130.08643	9.6
147.41039	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	129.0184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73799	5.5
55.01760	43.1
57.03326	54.4
60.63174	5.3
61.34643	6.4
67.01761	100.0
68.99700	30.1
68.99998	5.7
71.01244	24.2
71.21911	16.7
72.99165	13.6
73.02822	10.3
73.82496	5.0
76.58740	5.9
78.25470	6.2
83.04900	13.6
85.02837	28.1
85.06488	6.0
87.00799	11.8
88.03906	12.8
99.00813	5.9
101.02332	8.5
122.72111	5.5
128.90024	6.4
129.01807	27.6
129.05467	37.3
130.04022	8.9
130.08598	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	128.0707
Annotation	L-beta-Homoproline
Peak:m/z	Relative Intensity
55.01754	1.0
57.03326	1.0
63.57164	0.4
67.01760	0.9
68.99689	0.5
70.08287	1.3
70.08683	1.0
70.45610	0.4
71.01255	0.5
72.21207	0.4
73.02820	0.6
73.32552	0.5
82.02903	0.4
85.02827	11.7
128.03435	8.3
128.07072	100.0
129.01776	1.2
129.07446	6.6
144.19156	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63746	0.5
52.86813	0.5
55.01761	0.8
57.03321	1.2
67.01762	0.9
68.99693	0.6
70.76085	1.8
70.76453	0.6
71.01256	1.0
74.25398	0.6
80.39478	0.6
83.04857	0.6
85.02839	2.4
88.05490	0.6
99.00722	0.8
100.63086	0.6
102.09346	0.6
128.03442	5.5
128.07068	100.0
129.01855	0.8
129.07430	6.4
140.71692	0.7
143.03474	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	24.6
57.03327	35.9
58.02836	8.4
59.01245	7.5
65.39623	4.4
67.01761	77.4
68.99688	46.9
69.90923	31.2
71.01270	16.9
72.99187	15.4
73.02819	8.3
81.03315	5.4
83.01299	6.8
83.04884	15.6
85.02828	24.5
87.00739	10.5
88.03932	19.9
89.93526	5.3
94.89171	5.9
96.33553	5.1
98.20435	9.6
99.00765	7.9
111.00741	7.3
111.04368	4.7
113.04903	5.1
129.01830	25.8
130.08632	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	122.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00198	1.3
58.02830	1.6
64.01797	1.4
65.01319	15.4
65.99702	3.6
66.00835	1.7
66.03365	6.6
67.01756	3.8
67.02882	5.0
68.01275	4.6
68.99684	6.4
71.56799	2.0
77.01350	1.7
79.02885	31.6
80.01311	2.0
81.04443	13.2
82.01596	12.2
82.02838	2.2
92.02419	4.9
94.02865	27.4
94.03555	1.6
95.01261	100.0
95.02377	16.2
95.03174	2.0
96.00802	3.0
96.01882	1.3
96.04385	1.5
105.23495	1.4
108.02054	6.4
122.02346	18.1
122.03425	45.9
123.00758	48.8
123.01866	16.7
123.02760	1.8
123.04391	8.4
123.05481	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	122.0364
Annotation	Pyrazinamide
Peak:m/z	Relative Intensity
50.00239	1.5
50.48815	1.5
52.01791	1.5
53.00207	1.4
53.32797	1.3
58.02846	3.4
64.00542	1.4
64.01801	1.7
65.01327	14.4
65.99718	2.9
66.03362	6.1
67.01773	3.2
67.02880	2.1
68.01293	3.0
68.99702	6.4
70.42231	4.5
79.01646	3.3
79.02891	27.5
81.04459	9.0
82.01603	11.5
82.02866	3.3
92.02408	4.6
94.02864	26.5
94.03471	2.1
94.03692	1.8
95.01270	100.0
95.02322	13.2
95.04912	1.7
96.00791	2.9
98.20493	1.4
104.10924	1.2
108.02042	3.3
121.02888	1.6
122.02361	11.8
122.03450	38.6
123.00769	44.0
123.01884	13.1
123.04426	7.9
123.05508	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	125.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18377	1.5
55.01738	1.5
57.03326	90.8
57.80468	1.6
58.03653	3.6
60.18726	1.4
61.13041	1.4
65.99713	6.2
67.02894	6.6
68.01298	2.3
69.03322	12.7
71.14801	1.5
71.56842	2.3
71.57216	2.0
81.03329	3.3
82.02872	2.5
83.01253	4.6
83.02387	5.8
93.28933	1.5
96.99184	5.5
97.02820	12.2
102.49156	1.6
110.13949	1.4
115.93282	1.8
117.82298	1.7
119.80617	1.5
122.05971	1.6
124.98714	1.8
125.02341	100.0
126.01826	2.4
126.02679	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	128.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.6
57.03317	0.7
67.01787	0.7
69.80649	2.4
71.01259	1.0
72.99185	0.7
80.04916	0.6
85.02835	3.1
88.00734	0.4
98.19872	0.6
101.02316	0.6
105.40938	0.5
105.78503	0.5
122.67826	0.5
128.03435	6.5
128.07066	100.0
129.01825	1.2
129.07408	6.2
136.33897	0.5
136.52446	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00228	10.9
52.01772	1.3
59.01247	4.6
64.01782	4.4
65.01318	18.5
65.99715	27.0
66.00853	1.4
67.02908	1.4
68.01286	8.3
69.45603	1.1
70.72307	2.5
71.01249	1.8
72.04173	1.2
77.01325	6.9
79.02895	1.7
83.81260	1.1
91.02900	18.1
91.03803	1.3
91.05418	4.2
92.01298	14.4
92.02417	5.0
92.03288	1.3
92.04938	1.4
93.00835	6.7
93.03310	2.5
93.04437	1.4
101.03848	38.5
101.92317	4.7
102.04183	2.3
105.03223	1.4
115.24204	1.5
117.03355	20.8
118.04034	3.0
118.92554	5.6
119.02412	45.9
119.03460	4.2
119.04906	100.0
119.05932	3.6
120.01946	17.1
120.02702	2.2
120.05570	72.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1191.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01236	0.4
107.01263	1.7
109.02853	0.7
109.64202	0.4
117.03333	0.4
123.00795	0.5
125.02331	2.4
137.02335	1.2
147.00757	0.5
151.00273	4.1
152.00978	0.5
153.01837	0.5
159.04413	0.5
163.00328	0.5
165.01843	0.4
169.01349	1.4
171.04483	0.5
175.00240	0.6
176.54448	0.4
178.99817	3.5
183.04405	1.5
185.02406	0.5
187.03984	0.5
193.01398	2.7
198.44380	0.4
199.04028	0.5
211.03928	1.6
213.05472	0.9
215.03516	0.6
227.03448	18.3
228.03926	0.8
229.04951	1.3
239.03453	0.5
240.04153	0.5
241.05214	0.4
255.02968	49.1
256.03622	4.8
257.04510	2.7
265.68375	0.4
283.02493	20.2
284.03256	71.0
285.03989	22.6
286.04321	1.1
317.02814	0.6
318.03323	0.5
327.05109	1.8
339.05292	0.4
430.09009	3.0
431.09586	0.8
546.32526	0.4
575.14148	1.1
593.15131	0.8
608.96906	0.4
725.19354	100.0
726.19629	9.1
871.25122	31.4
871.42572	0.8
872.25702	3.4
885.25415	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89400	1.1
63.96780	1.2
65.00188	1.3
65.01314	3.1
65.33259	1.0
65.99712	1.3
69.85763	2.4
69.86177	5.5
79.02897	7.7
82.01608	4.8
93.03338	83.1
94.02866	8.8
94.03678	5.1
95.02391	3.8
100.80946	1.6
101.56953	1.1
108.02053	2.6
120.01918	2.7
121.02847	100.0
121.03893	4.6
121.05055	6.4
122.02361	2.5
122.03407	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	119.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00237	4.9
57.56920	0.8
59.01251	1.5
64.01780	1.4
65.01317	6.8
65.99718	9.6
68.01276	2.5
69.56787	7.7
71.01237	1.5
73.95621	0.8
77.01325	3.2
91.02895	5.6
91.05410	1.6
92.01311	5.1
92.02438	1.4
93.00843	2.9
93.03348	5.1
103.09540	1.0
118.04039	1.5
118.92593	4.2
119.02424	14.5
119.04917	100.0
120.01903	8.4
120.05578	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	119.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
61.54730	1.8
65.01315	3.2
65.99723	5.0
69.99905	11.9
91.02907	3.2
91.05408	4.1
95.22423	2.0
98.20451	3.3
101.03854	47.8
102.04185	4.8
117.03365	27.7
118.03581	2.1
118.92598	2.7
119.02419	12.4
119.04922	100.0
120.01923	4.7
120.05581	15.0
128.99614	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	119.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00224	2.5
59.01247	0.9
64.01785	1.6
65.01314	6.4
65.99472	0.7
65.99728	7.4
66.44275	0.7
68.01279	2.7
71.36797	1.4
77.01329	2.6
79.02877	0.8
91.02888	5.4
91.05405	2.1
92.01281	4.3
92.02415	1.2
93.00833	1.9
93.03336	6.6
101.03848	8.7
101.92323	1.1
103.77754	0.8
104.02500	0.8
105.03207	1.0
117.03380	3.6
118.03961	1.5
118.92582	1.8
119.02439	13.8
119.04907	100.0
120.01934	7.4
120.05572	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	1.6
64.15642	1.0
65.01317	2.3
65.99727	2.4
69.58652	2.4
69.59067	5.3
91.02895	1.8
91.05400	6.3
92.01320	2.0
93.03322	1.7
98.19802	2.0
101.03851	46.8
102.04190	2.9
117.03354	28.8
118.03707	2.2
119.02450	4.8
119.04919	100.0
120.01932	1.6
120.05525	8.6
136.14777	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
60.70501	2.6
71.48434	4.9
73.02822	100.0
99.00748	8.4
99.92458	12.4
112.42857	3.0
112.81932	2.5
116.07052	80.9
116.92737	19.7
117.01842	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	1165.5109
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02821	0.5
85.99956	0.1
87.00752	0.2
89.02335	0.1
94.97959	0.2
95.01264	0.1
95.97448	0.1
96.95886	100.0
97.02805	0.1
97.95819	0.1
98.20171	0.6
99.00772	0.4
101.02320	0.3
113.02352	0.4
115.03915	0.1
125.02343	0.2
131.03368	0.2
143.03394	0.2
163.05978	0.1
168.98006	0.1
173.83557	0.1
205.06989	0.1
230.72958	0.1
290.29694	0.1
679.36475	0.1
768.85565	0.1
959.44312	0.1
1067.54272	5.8
1068.54895	0.8
1089.51746	0.1
1105.49524	1.3
1106.49207	0.2
1165.50659	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.1
56.51601	0.2
70.99528	0.5
71.01254	0.7
73.02821	100.0
74.03145	3.2
83.06136	0.2
99.00759	7.4
99.92471	3.0
116.92748	5.8
117.01829	9.2
117.92758	0.6
118.02174	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92847	0.3
55.01763	0.4
59.01252	0.7
70.25308	1.3
71.01257	0.7
71.04928	0.4
73.02821	100.0
74.03153	3.3
82.63976	0.3
90.00871	0.5
98.20452	0.6
99.00762	8.0
99.92458	4.6
100.01027	0.4
100.92422	0.5
116.92754	10.6
117.01832	9.8
117.92757	1.3
118.02892	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1179.7043
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01242	1.5
83.04899	3.5
85.02843	3.3
87.00764	3.8
89.02314	9.0
95.01260	1.2
97.02814	2.8
101.02322	11.5
108.02011	1.1
109.02853	0.8
113.02343	6.5
113.09634	1.6
119.03361	3.6
125.02350	7.5
133.02785	1.0
143.03412	2.2
161.04468	3.0
161.05962	1.1
163.11189	3.2
165.12762	2.2
167.03384	0.8
179.05545	4.4
191.10762	1.4
209.11775	100.0
210.12114	2.3
211.13220	0.9
217.07213	0.8
221.06648	1.7
227.12851	13.9
235.08232	5.3
253.09282	1.0
259.08200	1.1
277.21722	51.3
278.22107	3.5
287.07828	1.4
293.21262	2.8
298.03186	0.7
305.08789	2.2
323.09848	1.5
379.12534	11.8
380.12982	0.8
397.13495	47.3
398.14011	1.7
415.14551	11.2
501.51913	0.8
589.24811	2.1
607.26331	3.3
675.36096	2.4
856.21216	0.9
907.43176	2.0
924.35095	0.8
1179.58606	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1181.7199
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01259	1.8
83.04898	3.7
85.02826	2.3
87.00755	3.3
89.02319	6.4
95.01266	0.8
95.04893	0.7
97.02835	1.5
99.00755	0.7
101.02327	9.6
109.02815	0.6
111.04411	0.5
113.02330	6.5
119.03406	2.3
121.02829	0.4
123.04391	0.4
125.02339	5.8
131.03366	0.6
133.04865	0.4
135.08076	0.8
139.03912	0.8
143.03432	2.0
149.04451	0.5
152.99472	1.1
161.04477	3.4
163.11215	3.6
165.12772	1.9
167.03409	0.5
169.01320	0.5
171.10175	0.9
177.01912	0.4
179.05525	3.3
181.12241	0.5
191.10753	0.8
199.06046	0.5
209.11772	100.0
210.12137	4.1
217.07135	0.8
221.06628	1.2
223.13422	0.5
227.12854	10.2
228.25464	0.3
235.08183	5.0
248.80707	0.3
251.12860	1.2
253.09221	1.1
259.08157	0.9
277.21722	43.3
278.22070	2.9
287.07755	2.2
295.22739	1.0
301.09094	0.4
305.08881	2.1
323.09705	1.5
379.12476	11.1
397.13504	44.1
398.13748	2.1
415.14532	8.9
428.01407	0.4
431.21890	0.8
589.25116	2.5
607.26141	3.8
608.26428	0.4
657.35040	0.6
669.56940	0.3
675.35980	1.4
885.48889	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1157.5538
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03333	2.6
83.01250	9.1
85.02834	1.2
87.00768	1.4
89.02322	2.9
93.03351	2.5
95.01270	1.0
95.04874	1.5
97.02850	3.5
98.19762	2.0
99.04398	1.3
101.02328	3.1
106.37991	0.9
107.04976	1.2
109.02836	5.2
111.00867	1.0
113.02335	1.1
116.01653	0.9
121.02837	4.6
122.03529	1.2
123.00719	1.8
123.04414	2.4
124.01532	0.9
125.02338	49.1
130.83507	0.9
133.02831	1.7
135.04413	2.6
137.02348	31.8
139.03906	1.1
146.03639	20.0
147.04373	1.1
149.02330	1.8
150.03122	1.9
151.03941	3.7
159.04436	6.7
160.05238	2.3
161.02362	2.5
161.05960	2.0
162.03233	1.0
163.00311	1.7
164.01073	9.8
165.01863	23.2
167.03424	12.9
169.01434	1.4
172.05226	4.2
173.06010	3.4
174.03123	8.1
174.06754	2.5
175.03908	2.5
176.04724	2.1
177.01872	4.0
179.03423	7.5
185.06036	1.9
187.03912	4.6
188.04727	6.6
189.05565	1.5
196.05186	1.5
197.06053	1.6
199.07611	1.4
200.04749	4.2
201.05515	3.1
204.04214	3.4
209.06084	1.8
210.06799	1.1
211.03903	1.9
211.13312	1.3
212.04707	5.5
213.05475	1.2
221.06618	1.3
224.04741	1.5
225.05460	3.6
226.06314	1.6
234.06807	1.1
237.05557	2.7
243.13780	2.1
251.07121	2.7
251.09933	0.9
252.07886	2.0
253.12384	0.9
255.13879	1.9
265.08853	1.2
268.07388	2.0
269.07965	1.1
269.11832	3.0
270.08914	1.5
270.12799	1.1
271.13406	21.5
271.16415	1.2
277.21683	7.4
281.11841	1.1
283.13409	3.2
285.14941	1.9
287.05447	1.1
287.12881	2.0
289.14346	5.3
293.21191	4.4
294.08905	4.6
295.13480	1.7
297.14996	2.9
299.13010	6.3
301.14532	3.0
309.15033	2.0
313.14407	7.4
315.16089	3.1
317.13962	2.3
320.06931	1.3
325.14526	7.9
331.15543	1.5
335.16568	3.0
337.14420	6.6
343.15625	4.5
343.21960	1.1
353.17493	1.6
355.15543	2.4
377.17603	4.0
379.15399	1.6
391.19650	1.2
393.17145	2.1
395.18719	3.6
397.13272	1.4
401.17776	1.9
413.19901	1.5
415.14420	1.0
419.18658	12.9
421.16455	1.2
437.19669	6.4
445.16550	1.4
463.17664	4.7
481.18692	1.3
547.65790	1.3
729.30518	1.3
753.31201	1.6
835.34430	2.6
879.32928	3.1
938.41669	1.1
959.49048	2.2
973.51685	1.6
989.51227	15.7
990.50659	1.3
1001.51312	11.8
1002.51532	1.9
1013.50977	10.8
1014.51495	1.3
1019.52350	10.6
1031.54114	1.5
1055.52844	2.9
1067.55176	1.2
1071.55603	1.7
1092.82507	1.0
1095.55347	24.0
1096.55127	3.2
1113.55737	5.1
1121.53113	5.6
1139.54382	100.0
1140.54321	13.6
1157.55347	60.6
1158.55518	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	1149.5458
Annotation	Unknow
Peak:m/z	Relative Intensity
79.94881	0.5
80.91562	2.3
82.06074	0.5
83.01254	3.3
85.02822	14.3
87.00750	5.9
87.04380	0.8
89.02318	3.5
89.47289	0.6
95.01267	3.3
97.02839	2.3
99.00751	7.8
100.19966	0.5
101.02320	6.1
103.03890	0.9
103.56143	0.5
111.00755	1.2
112.01538	2.5
113.02326	12.4
115.00272	0.7
115.03896	1.3
119.03397	0.8
125.02328	9.2
125.33537	0.5
131.03397	2.8
133.01328	2.5
139.00200	1.0
140.10489	0.6
143.03412	4.3
153.00420	1.1
153.01604	3.2
154.99516	5.8
157.01178	1.8
161.04358	0.7
163.06071	0.7
166.99519	2.7
175.02364	1.3
178.99553	1.2
179.01129	0.5
197.00581	7.3
205.07149	2.2
215.01704	0.7
227.01831	0.7
240.99588	1.3
274.44376	0.5
359.06024	0.8
400.68384	0.6
461.82913	0.6
642.78497	0.6
763.39923	11.4
764.40240	1.9
781.41254	2.3
807.39270	0.8
925.45367	1.2
943.46686	34.9
944.47003	5.8
963.48779	1.2
1067.54260	54.8
1068.54590	10.2
1089.52380	100.0
1090.52417	20.3
1133.51416	3.5
1134.51819	1.0
1149.54236	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36756	1.3
71.01255	100.0
71.05975	1.9
71.06303	2.2
72.01576	4.1
87.00751	1.2
99.09119	1.5
115.00261	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	1157.5378
Annotation	Unknow
Peak:m/z	Relative Intensity
82.23576	0.3
83.01260	1.0
85.02813	7.0
85.99950	0.5
87.00743	3.1
87.04372	0.6
88.98674	85.4
89.02332	2.0
89.99018	0.7
91.59081	0.3
95.01276	1.9
96.95926	0.5
97.02817	1.7
98.19778	1.3
98.20499	1.7
99.00742	4.8
99.92448	1.2
100.92480	0.6
101.02317	3.4
103.03934	0.4
113.02318	5.3
115.03879	0.8
116.92752	4.2
117.92770	1.6
118.92513	0.5
119.03442	0.4
119.40585	0.3
125.02353	2.4
131.03397	1.8
139.00281	0.5
143.03383	2.1
145.04942	0.5
163.06027	0.8
180.95299	0.3
205.07024	0.9
230.20554	0.4
627.09235	0.4
763.41852	0.4
1049.53271	1.0
1067.54224	100.0
1068.54626	21.3
1069.54895	1.8
1139.45093	0.8
1157.46643	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1157.5531
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03326	3.1
83.01260	9.7
85.02844	1.3
87.00712	1.3
89.02312	2.7
93.03348	1.8
95.01270	1.5
95.04929	2.4
96.95897	1.0
97.02847	3.1
99.00713	1.0
99.04391	1.4
101.02336	3.6
107.04922	1.3
109.02840	5.9
113.02348	1.5
120.02054	1.0
121.02834	4.6
122.03662	1.9
123.04389	2.6
125.02335	48.2
133.02814	1.5
135.04419	2.5
137.02345	36.6
139.03926	1.6
142.70731	0.9
146.03641	19.0
147.04433	1.3
149.02318	2.9
151.03928	4.0
151.95290	1.0
159.04424	7.3
160.05154	2.9
161.02316	2.1
161.04477	1.0
161.05968	1.4
162.03148	1.3
163.00227	1.4
163.03870	1.2
164.01057	9.2
165.01843	21.9
167.03401	13.3
169.01408	2.0
172.05254	4.0
173.05972	4.0
174.03180	9.2
174.06778	2.8
175.03909	2.6
176.04671	1.3
177.01854	6.0
179.03444	8.1
185.06033	1.3
186.06696	1.6
187.03938	2.9
188.04710	7.1
189.05478	2.9
196.05197	1.1
198.06729	1.4
200.04758	5.1
201.05475	3.3
202.06247	1.3
204.04231	4.1
209.05988	2.2
210.06735	1.2
211.03938	2.3
212.04756	5.3
213.05554	2.2
221.06560	2.3
224.04929	1.4
225.05547	3.4
226.06256	3.6
236.04437	1.0
237.05540	3.0
239.07141	1.1
251.07135	2.5
252.07846	3.0
255.07126	1.0
255.13820	2.0
257.15451	1.0
259.13205	1.2
261.48557	1.0
268.07553	1.6
269.11841	2.8
270.08966	1.9
271.13403	23.7
277.21713	4.4
280.66626	1.2
283.13379	2.9
285.15067	2.0
287.12881	2.1
288.06372	1.1
289.14429	8.8
294.09033	4.5
295.13437	3.8
297.14941	4.1
299.12906	6.7
301.14429	3.3
307.09915	1.1
309.14899	1.4
313.14465	9.7
315.16019	4.2
317.13818	5.7
320.06619	1.1
324.13855	1.1
325.14468	8.8
327.16028	1.7
331.15695	2.4
335.16675	4.8
337.14407	5.7
338.15204	1.1
343.15558	5.3
351.15854	2.2
353.17667	2.6
355.15601	4.3
369.17126	1.3
377.17725	2.6
379.15552	1.3
391.19193	1.8
393.17053	2.3
395.18503	4.6
419.18665	11.4
437.19705	8.4
463.17456	4.5
481.18805	1.6
729.30170	4.1
742.66833	1.1
753.29266	2.8
835.34204	5.9
853.35223	1.6
879.33185	3.7
959.50415	1.5
973.50787	2.2
989.51208	18.8
990.52216	4.3
1001.51471	13.1
1002.51495	3.0
1013.51074	15.2
1014.52106	2.3
1019.52325	13.0
1020.52826	2.4
1031.51367	1.5
1053.56262	1.2
1055.52173	3.8
1071.56360	1.9
1095.55640	23.6
1096.55493	5.7
1113.55029	4.8
1121.53076	9.3
1122.53162	2.3
1139.54346	100.0
1140.54443	19.0
1157.55408	57.5
1158.55688	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	114.0549
Annotation	L-Proline
Peak:m/z	Relative Intensity
50.42319	0.2
51.62300	0.2
64.05950	0.3
66.03361	3.4
70.02858	0.6
71.01255	14.8
78.34718	0.2
85.26250	0.2
86.02352	2.2
87.00764	0.4
87.60769	0.2
108.02433	0.2
112.03934	0.9
114.05494	100.0
115.00299	1.2
115.05090	0.4
115.05833	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	114.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42319	0.2
51.62300	0.2
64.05950	0.3
66.03361	3.4
70.02858	0.6
71.01255	14.8
78.34718	0.2
85.26250	0.2
86.02352	2.2
87.00764	0.4
87.60769	0.2
108.02433	0.2
112.03934	0.9
114.05494	100.0
115.00299	1.2
115.05090	0.4
115.05833	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	1135.57
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03329	4.0
83.01260	9.7
85.02792	1.0
87.00730	1.0
88.18134	0.6
88.50407	0.6
89.02321	2.5
93.03336	2.7
95.01254	1.6
95.04888	1.7
96.43765	0.6
97.02819	3.0
99.04391	2.1
101.02334	3.4
109.02843	5.9
111.11699	0.7
113.02331	1.8
116.92725	1.1
119.03383	1.0
120.07941	0.7
121.02853	5.0
122.03655	1.1
123.00776	0.8
123.04432	2.4
124.01521	0.8
125.02345	48.0
126.02654	0.8
131.04912	1.1
133.02846	1.7
135.04408	3.2
137.02348	34.3
138.02811	0.7
139.03925	1.9
146.03645	16.6
147.04414	1.3
149.02357	1.8
150.03050	1.3
151.03894	2.8
159.04440	6.0
160.05188	2.7
161.02296	1.1
161.05984	1.5
161.41614	0.7
162.03067	0.8
163.00253	1.4
164.01076	10.3
165.00508	1.2
165.01868	23.5
167.03416	11.5
167.41048	0.7
169.01407	0.7
172.05266	4.3
173.05986	2.8
174.03160	8.6
174.06754	1.9
175.03926	2.5
176.04665	2.2
177.01872	4.7
179.03404	7.6
180.68648	0.9
185.06007	2.5
186.06825	1.6
187.03952	3.9
188.04723	6.0
189.05473	1.3
191.03474	1.2
197.06073	1.1
198.06874	0.8
199.07642	1.2
200.04716	4.1
200.08241	1.1
201.05499	2.7
202.06155	0.8
204.04225	4.2
209.06023	1.5
210.06824	2.6
211.03816	1.4
211.07645	1.1
211.13467	0.8
212.04694	5.1
213.05504	1.1
214.06160	1.1
215.23659	0.8
217.12257	1.0
218.05782	1.0
221.06688	0.8
224.04668	1.6
225.05449	4.0
225.12701	0.8
226.06284	1.3
227.06993	1.2
237.05460	2.0
238.06165	0.7
239.07149	1.2
243.13982	1.3
244.07350	1.0
245.11871	0.9
251.07146	3.1
252.07912	2.1
253.12108	1.0
254.05791	0.7
255.13847	2.4
255.23273	12.5
265.08902	0.8
267.13785	0.7
268.07336	2.5
269.11795	4.1
269.15219	1.4
270.08960	2.6
270.12128	0.8
271.13385	22.2
271.16107	1.4
272.13766	1.4
283.13492	2.9
285.14972	2.5
289.14487	5.2
294.05923	1.1
294.08932	5.1
295.13367	3.0
297.14972	3.5
299.12903	7.1
300.13580	1.2
301.14429	2.4
309.14972	1.7
310.49429	0.9
313.14453	9.0
315.16034	1.5
317.13977	3.3
320.06845	1.3
325.14410	10.3
327.16119	1.0
331.15295	1.6
335.12930	0.9
335.16595	3.0
337.14426	8.4
343.15347	4.3
351.15948	1.8
353.17487	1.9
355.15411	2.4
361.14597	0.8
369.16882	1.0
377.17496	3.5
379.15421	2.3
393.16922	2.3
395.18750	5.0
397.13211	1.0
401.17685	1.2
419.18646	11.3
437.19540	4.9
445.16498	2.4
463.17627	4.2
481.18375	1.2
755.86145	1.0
835.34137	1.8
879.33447	1.0
925.50049	0.9
937.51312	1.0
951.53448	1.0
953.51617	2.0
967.53113	13.6
968.52869	2.2
979.52771	8.4
980.52808	1.2
991.52667	11.0
992.54333	1.8
997.53845	10.5
998.54999	1.1
1009.54144	1.9
1033.53882	2.2
1049.56323	1.6
1073.57166	17.7
1074.57861	1.8
1091.56421	3.4
1099.55090	6.5
1100.54663	1.1
1117.55908	100.0
1118.56189	14.4
1135.56958	60.4
1136.57129	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	1133.7339
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95597	0.5
81.03307	0.6
83.04879	0.5
85.02832	1.0
87.00746	0.9
88.98686	0.6
89.02327	1.7
89.13787	0.4
93.06076	0.4
97.02837	3.0
97.06458	0.9
101.02335	2.3
109.06480	0.8
111.08050	3.9
113.02316	1.6
116.92764	0.9
119.08524	0.6
125.02344	1.6
125.09578	1.8
127.11207	0.5
137.09593	1.1
149.04443	2.8
151.11168	0.9
161.04486	1.2
162.19708	0.5
163.11212	1.0
165.12747	2.2
169.12267	1.6
171.10188	21.6
172.10574	0.6
179.05443	0.4
179.14305	0.6
181.12265	1.4
183.13864	0.8
193.15863	0.7
197.11766	23.0
198.12091	0.9
199.13388	1.7
209.11705	1.2
211.13359	6.4
223.13194	0.6
227.12828	2.6
235.08305	2.9
247.20752	2.5
253.09265	19.6
263.20090	1.0
265.18082	1.0
273.18701	1.6
277.21735	23.6
278.22003	1.1
289.18005	0.7
291.19669	35.5
292.20029	2.4
293.21277	1.8
295.22787	56.3
296.23135	2.2
309.20712	100.0
310.21011	4.9
325.20224	0.7
527.28510	1.9
545.29590	7.1
599.78357	0.6
601.40936	3.6
837.50568	0.8
885.75250	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1130.5379
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01256	1.7
85.02824	11.6
85.99958	1.2
87.00755	4.8
87.04383	0.9
88.98662	1.5
89.01064	0.3
89.02319	2.7
92.14132	0.3
95.01252	2.3
97.02829	2.0
99.00765	7.1
101.02328	5.1
103.03894	0.9
112.01515	0.5
113.02336	7.5
115.03880	1.0
119.03349	1.0
125.02348	3.8
131.03404	3.7
139.00278	1.0
143.03381	3.1
145.04907	0.4
157.01311	0.8
163.05977	0.8
205.07100	1.7
379.99707	0.3
677.53485	0.4
1037.52576	0.4
1039.52856	0.5
1040.53186	0.9
1049.52747	0.9
1067.54321	100.0
1068.54700	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	1133.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03331	10.4
83.01267	7.7
83.04890	5.1
85.02825	95.6
87.00755	92.6
93.03338	19.9
95.01269	52.1
95.01826	4.3
95.44173	2.1
97.02833	32.5
97.06525	2.0
99.00755	5.9
99.04391	8.3
101.02288	2.6
103.03902	6.7
107.04889	2.5
108.02045	6.1
109.02852	24.3
111.00766	21.1
111.04411	3.8
113.01602	4.0
113.02332	41.5
115.00253	12.4
118.46266	2.6
121.02829	2.7
123.04418	4.7
125.02331	12.4
127.03916	34.0
137.02359	9.8
139.00293	25.6
143.03282	2.0
145.04970	9.4
151.03870	3.2
155.03378	8.1
157.01343	13.7
167.03412	3.9
169.04985	4.7
171.03036	2.5
173.04442	3.0
175.02400	34.8
177.01758	4.3
181.01422	2.8
199.02434	50.8
217.03497	22.0
257.06479	2.2
259.04578	2.6
277.95657	2.2
285.06204	2.3
290.82318	2.3
303.07196	19.0
321.08389	10.7
345.08279	18.0
387.09348	36.6
405.10367	22.2
423.07196	2.4
457.61383	2.4
465.12476	2.9
521.11261	3.2
543.14478	2.4
561.14209	2.2
563.12805	3.1
569.17334	3.6
603.15631	3.2
623.14502	14.1
685.17871	4.4
696.23462	2.3
707.17334	2.7
709.18323	42.5
710.19135	4.8
727.19348	100.0
728.19629	9.2
751.19366	2.8
793.20435	4.9
811.20392	4.2
933.93311	2.7
969.23669	2.7
1029.24902	11.6
1030.24915	3.1
1115.29395	40.1
1116.29688	6.4
1133.30176	49.8
1133.53076	4.4
1134.30737	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	1119.515
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01257	2.1
85.02826	14.5
87.00747	3.1
89.02319	6.8
95.01261	4.3
97.02809	1.1
98.19736	0.6
99.00756	5.5
101.02322	10.3
113.02330	8.0
119.03416	2.6
124.25043	0.5
125.02340	2.6
129.01846	0.6
131.03404	3.4
137.94415	0.5
139.00246	1.6
143.03371	1.1
157.01315	1.0
159.02902	0.9
161.04451	5.9
161.75935	0.5
178.27261	0.6
179.05539	1.0
221.06644	5.3
251.95961	0.5
263.07632	0.7
343.37057	0.5
648.19305	0.6
856.19049	0.5
883.03857	0.5
1002.35681	0.5
1065.53381	1.4
1083.53857	100.0
1084.54053	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	1123.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95776	60.9
96.96841	4.5
150.97931	1.6
152.99493	62.4
171.00548	16.5
208.78340	0.7
227.03162	4.0
243.36430	0.9
245.04289	81.7
246.04761	0.9
253.21707	45.1
254.22151	1.3
285.01270	0.7
301.03931	0.7
366.52219	0.7
458.07867	0.7
478.29382	1.6
479.29572	1.0
481.25726	100.0
482.26102	5.6
497.57791	0.8
1123.48853	13.5
1124.49500	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	1125.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01257	0.6
84.79124	0.2
91.01749	0.2
98.19766	0.6
107.01293	2.0
108.02075	0.8
109.02840	1.2
121.02834	1.0
121.54353	0.2
125.02325	0.3
135.00771	0.6
148.01585	1.0
149.02347	0.4
151.00288	7.4
151.01511	0.4
152.00896	0.3
159.04474	0.2
161.02356	0.2
163.00275	2.0
164.01068	0.7
169.01352	0.7
175.03963	0.3
178.99782	3.5
183.04457	0.4
187.03925	0.3
190.99788	0.3
192.00520	0.5
199.03905	0.8
201.01900	0.3
201.05432	0.3
211.03899	1.2
212.01021	0.2
213.01831	0.4
215.03445	0.7
216.04259	0.6
226.02623	1.2
227.03471	2.1
229.05000	0.4
243.00481	0.5
243.02975	8.3
244.03519	0.5
245.04388	1.1
254.02188	1.8
255.02986	22.9
256.03394	1.2
266.02036	0.3
271.02487	48.9
272.02963	2.9
273.04071	0.9
283.02417	1.1
299.02115	1.1
300.02756	80.7
301.03500	28.1
302.03821	1.0
334.53775	0.2
343.04675	0.3
463.09036	2.0
505.09906	100.0
506.10229	5.8
1108.64392	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1115.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01257	0.4
87.65856	0.3
95.01302	0.4
98.19731	0.5
107.01279	2.2
108.02053	0.8
109.02850	1.2
109.99976	5.3
111.00787	2.4
111.27396	0.2
119.01301	0.3
121.02843	0.8
123.00780	1.2
124.01566	0.4
125.02296	1.4
125.99452	0.3
135.00682	0.3
136.98671	0.9
137.02321	0.5
137.99487	2.2
139.00273	8.3
141.98976	0.6
143.04926	0.4
145.02824	0.4
147.04433	0.4
148.01564	0.8
149.02316	0.4
149.99484	0.3
151.00287	7.0
152.01041	1.1
153.01859	0.3
159.04366	0.5
161.02367	0.7
163.00264	1.4
163.03903	0.4
164.01047	1.0
164.98207	0.5
165.01773	0.5
165.98994	7.9
166.99786	2.9
169.01337	0.9
171.04408	0.8
174.03073	0.6
175.03912	0.8
176.01071	0.5
177.01840	0.5
178.99773	7.2
183.04384	0.5
186.03194	0.3
187.03918	0.9
189.01846	0.4
192.00516	0.5
193.01224	0.3
193.98502	0.8
194.99260	0.9
198.03210	0.6
199.03996	1.8
201.01877	1.9
203.03352	1.5
206.99289	0.4
208.00067	0.4
211.03922	0.8
214.02666	1.1
215.03465	1.2
216.04257	0.6
225.01909	0.3
226.02695	0.8
227.03436	4.0
228.03853	0.4
229.01418	0.5
229.05049	0.3
230.03612	0.3
231.02942	1.6
232.03775	0.5
242.02165	2.4
243.02959	8.2
244.03528	1.2
245.04485	1.0
254.02213	1.0
255.02963	12.1
256.03336	0.8
258.01590	0.5
259.02432	1.9
261.04175	0.3
270.01682	3.6
271.02469	46.1
272.02966	3.4
273.03998	1.1
279.02695	0.3
283.02551	0.4
287.01968	14.0
288.02603	2.4
298.01202	0.5
299.01981	13.6
300.02725	38.0
301.03473	15.9
302.03690	1.0
315.01532	1.8
316.02228	45.4
317.02954	19.6
318.03470	0.8
453.99393	0.3
463.08636	1.0
479.08377	2.3
503.08075	0.4
505.09872	52.4
506.10159	4.6
506.90451	0.3
507.10284	1.0
519.07617	0.7
520.08423	1.5
521.09351	100.0
522.09662	7.2
565.08331	0.4
982.38629	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1107.6802
Annotation	Unknow
Peak:m/z	Relative Intensity
77.29269	0.7
81.06942	0.9
83.01279	1.5
85.02813	6.4
87.00751	1.5
89.02315	34.5
95.01257	2.9
99.04388	8.1
101.02322	22.5
111.04385	0.8
113.02325	15.8
119.02570	1.4
119.03390	19.6
119.04240	0.9
125.02324	2.9
131.03386	2.9
143.03383	7.0
149.04478	2.7
150.06766	1.1
161.04480	6.4
161.13264	22.2
162.13535	1.0
169.01315	1.1
170.08524	0.7
173.48871	0.6
177.01898	0.8
179.05525	25.5
185.61864	0.7
187.11172	2.6
196.99220	0.7
205.12268	57.9
206.12602	0.9
249.11290	87.0
250.11618	2.4
385.18610	9.9
429.17621	100.0
430.18030	4.2
575.11707	0.8
677.49493	1.8
678.50201	1.1
941.18610	0.8
983.54614	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	4.9
62.61035	2.1
67.01765	44.8
68.99696	2.0
69.55862	11.0
69.56269	3.4
71.01292	1.8
78.95776	25.6
79.95611	3.8
80.99265	1.6
82.37914	1.8
83.01260	9.8
83.04910	4.9
85.02832	1.8
93.03362	3.5
98.19172	1.7
98.19813	1.6
110.97478	8.2
111.00763	100.0
111.04414	2.8
112.01101	5.7
112.03922	3.7
122.54647	1.7
128.57594	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07988	3.1
55.01764	19.8
57.03306	3.9
67.01765	26.9
68.99699	3.6
69.03329	12.3
71.01270	6.0
71.58067	3.2
78.95780	20.2
79.95615	3.5
81.03345	2.8
83.01260	75.9
84.04443	5.0
99.01432	2.9
110.97478	14.1
111.00766	100.0
111.01913	7.4
111.04401	27.5
112.03927	6.7
112.04723	2.9
115.26379	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	1113.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
81.26862	0.2
85.02842	0.4
108.63549	0.2
112.28688	0.2
113.02336	0.9
120.29642	0.2
121.85044	0.2
125.02325	0.5
141.01605	0.6
151.03908	0.5
155.03430	0.7
155.05182	0.3
165.01723	0.3
166.99542	0.9
183.02705	0.6
183.04448	0.4
195.04433	3.1
210.06842	0.4
211.03941	1.9
216.93190	0.2
223.03955	1.0
238.02721	0.2
239.03447	19.8
240.03819	0.9
241.26001	0.2
252.04291	0.4
253.04900	0.4
254.05823	16.4
255.06342	0.8
266.02225	0.4
267.02985	7.0
267.06467	0.5
268.03220	0.6
281.04550	0.9
282.05322	70.8
283.05695	3.5
297.07654	100.0
298.08017	5.4
307.06097	0.3
379.08002	7.3
380.08041	0.3
391.07971	2.6
393.09570	2.4
403.07968	0.3
421.08881	0.7
433.08978	0.5
447.10233	0.3
463.10138	0.4
475.09863	1.0
481.10901	0.9
487.71634	0.2
523.11951	0.6
541.12018	0.2
617.14233	25.3
618.14496	2.3
916.93091	0.2
1072.52087	0.3
1113.49304	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1099.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
77.70982	0.2
83.01279	0.5
91.01753	0.3
95.69045	0.2
107.01270	1.5
108.02055	1.0
109.02809	0.9
121.02842	1.2
123.00835	0.3
125.02323	0.6
135.00789	0.5
137.25896	0.2
139.03838	0.2
148.01509	1.1
149.02225	0.3
151.00267	6.6
159.04369	0.2
161.02426	0.2
163.00288	1.6
164.01019	0.6
165.01834	0.3
169.01329	0.7
170.24069	0.2
171.04446	0.2
178.99767	4.2
183.04410	0.4
187.03882	0.4
190.99751	0.3
193.01324	0.2
199.03897	0.7
201.05493	0.5
203.03357	0.3
211.03920	0.9
215.03320	0.4
216.04216	0.3
226.02678	0.7
227.03450	2.2
228.04039	0.2
229.01233	0.3
229.04987	0.5
239.03177	0.2
241.01479	0.2
243.02972	7.3
244.03424	0.4
245.04530	0.8
254.02182	1.6
255.02966	20.1
256.03433	0.9
271.02466	42.3
272.02945	2.7
273.03970	0.8
283.02405	1.1
299.01996	1.1
300.02734	84.0
301.03458	29.3
302.03870	1.4
463.08945	2.0
505.09875	100.0
506.10199	7.3
506.17685	0.4
835.53485	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.6783
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95775	15.8
81.62946	0.1
95.41148	0.1
96.96832	0.2
122.98425	0.5
134.98412	0.3
152.99501	3.0
168.04221	2.8
224.06885	8.6
225.07246	0.3
242.07932	1.8
261.22235	0.3
279.23279	90.9
280.23611	5.0
280.26697	0.2
433.24017	0.2
504.30951	100.0
505.31268	6.4
505.38782	0.2
519.27386	0.6
539.14581	0.1
551.75488	0.1
578.34656	2.7
579.34778	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.6784
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95306	0.3
78.95772	5.7
80.96414	0.2
123.92771	0.1
152.99498	1.3
168.04248	1.6
173.93910	0.2
224.06871	0.7
242.07915	2.6
261.22275	0.3
278.40494	0.1
279.23273	100.0
280.23615	5.3
286.36472	0.1
320.16965	0.2
333.41425	0.1
504.30945	74.2
505.31262	6.1
519.27209	0.4
550.19135	0.2
577.27490	0.2
578.26752	0.2
578.34546	2.3
579.34973	0.2
593.13275	0.2
717.13263	0.1
782.14441	0.2
812.42773	0.2
935.61102	0.2
946.07867	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.6629
Annotation	Unknow
Peak:m/z	Relative Intensity
80.02554	0.6
81.03352	0.9
83.01299	0.4
83.04899	3.6
84.02036	0.5
85.02834	0.8
87.00776	0.6
89.02328	1.4
93.06969	0.4
95.01329	0.3
96.95895	0.7
97.02837	1.1
97.06474	0.7
98.15144	0.3
101.02332	2.2
109.06530	0.9
110.47248	0.3
111.08046	12.8
113.02322	1.1
118.35339	0.4
119.03379	0.6
125.02337	1.5
125.05996	0.4
127.07566	0.6
128.61047	0.3
135.08145	0.6
137.09625	0.7
145.05014	0.5
151.11180	1.3
153.09140	0.8
153.12759	1.9
158.68658	0.5
161.04459	1.0
163.11203	2.8
165.12764	2.7
169.01361	0.6
169.12256	6.9
170.12775	0.3
171.10170	1.9
177.01845	0.4
177.20091	0.4
179.05516	0.9
179.10684	0.8
181.12285	1.5
183.13817	0.9
185.11684	0.6
191.10713	1.2
193.12245	0.6
197.11769	63.0
198.12054	2.8
199.13321	3.0
209.11774	98.1
210.12086	3.2
211.13336	9.1
227.12842	13.0
228.13304	0.8
235.08217	4.6
239.32277	0.4
247.20648	1.3
253.09270	14.8
254.09702	0.4
263.20172	3.4
265.17947	1.9
268.01608	0.4
273.18552	1.7
275.28995	0.4
291.19672	24.5
292.20029	0.9
309.20709	100.0
310.21143	5.1
328.40265	0.4
433.20544	0.8
445.20807	4.6
501.32324	0.9
505.27222	0.4
514.18536	0.5
519.32599	0.4
527.28546	1.6
545.29620	3.7
546.30042	0.4
551.52319	0.4
737.41534	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.5172
Annotation	Unknow
Peak:m/z	Relative Intensity
77.42661	0.6
78.47013	0.6
78.98487	0.5
83.01238	1.0
83.87894	0.6
85.02826	9.5
85.21869	0.6
85.99948	1.3
87.00745	4.7
87.04406	0.8
95.01257	1.7
98.20034	1.1
99.00755	9.6
101.02312	3.3
112.01600	1.1
113.02316	6.6
115.03902	0.7
119.03339	0.8
125.02366	1.3
131.03394	2.5
139.00255	1.1
143.03392	2.6
163.05946	1.1
205.07130	0.9
272.81238	0.7
377.28540	0.9
423.64526	0.8
439.32285	1.7
469.33237	2.1
487.34283	4.9
529.35156	1.2
569.34882	2.6
583.35760	0.9
601.37512	5.6
619.38788	2.2
645.36542	7.4
646.36804	0.8
763.42529	2.2
909.49066	2.2
971.48474	14.6
972.49127	2.5
1079.50952	2.1
1097.51685	100.0
1098.51709	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	1087.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
75.41354	0.2
83.01264	2.7
83.86276	0.3
85.02823	1.1
87.00763	0.4
91.01781	0.3
93.03356	1.5
95.01257	0.6
99.00755	0.6
107.01277	8.1
108.02072	0.5
109.02842	4.2
113.02321	1.2
119.01295	0.7
121.01980	0.5
121.02837	6.8
121.29346	0.3
122.03162	0.3
125.02330	0.3
135.00781	0.4
139.03941	0.6
148.01538	0.5
149.02328	1.5
151.00282	29.3
152.00639	0.3
159.04405	0.8
161.02356	0.5
163.00304	4.5
163.03902	0.5
164.01015	0.6
169.01372	2.4
173.05949	0.5
173.47180	0.3
175.02443	0.6
175.03915	0.3
178.99789	13.4
183.04431	1.2
185.06055	0.3
187.03951	0.8
190.99817	0.5
192.00645	0.4
192.07976	0.3
193.01381	0.6
199.03902	0.7
201.05562	1.5
203.03481	0.6
211.03917	2.1
212.04588	0.3
213.01788	0.4
215.03522	0.5
227.03482	2.9
228.04149	0.3
229.04971	1.7
239.03531	0.5
240.04297	0.4
243.02942	1.4
245.04556	3.8
255.02986	7.4
256.03659	1.0
257.04758	0.6
266.02386	0.3
271.02490	6.0
272.02997	0.5
273.04099	2.4
283.02463	2.5
299.01923	0.9
300.02774	7.9
301.03534	100.0
302.03882	4.5
325.61642	0.3
409.97882	0.3
417.14896	0.3
477.06757	78.2
478.00076	0.3
478.07059	6.3
609.04712	0.7
609.14569	12.9
610.15137	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.6645
Annotation	Unknow
Peak:m/z	Relative Intensity
79.61374	0.4
80.02553	0.7
81.03342	0.5
83.04911	2.3
85.02874	0.7
87.00756	0.8
87.63283	0.5
89.02324	1.1
93.03365	0.5
96.95914	0.9
97.06467	1.1
98.42375	0.4
101.02325	2.0
109.06473	0.6
111.08032	2.2
113.02372	0.6
116.70927	0.5
119.08559	6.2
120.08910	0.5
120.14537	0.4
121.10115	0.9
123.08047	0.7
125.02334	1.7
125.09632	2.6
127.11213	1.3
135.08060	0.9
137.09630	9.1
139.03998	0.5
139.11249	0.8
149.09619	0.5
151.11172	0.5
153.12772	0.5
155.10669	1.4
161.04419	0.9
163.11191	1.7
165.12801	0.6
167.10695	1.9
169.01321	0.5
169.12350	0.8
171.10184	31.9
172.10504	1.4
177.01817	0.5
181.12312	0.8
183.10193	1.9
185.11772	8.6
191.10785	0.6
195.10240	0.5
197.11766	14.5
198.12054	0.5
199.13290	1.1
201.11237	2.2
207.10220	0.5
209.11777	61.3
210.12102	2.3
211.13318	5.0
213.11256	2.0
219.62695	0.5
227.12840	7.6
229.19603	1.4
235.08202	3.9
253.09268	11.1
263.20169	1.3
273.18549	3.9
291.19666	17.9
292.20010	1.3
292.70810	0.4
309.20706	100.0
310.21075	7.3
311.21561	0.7
367.29443	0.5
405.26337	0.5
445.20648	4.1
463.21945	0.7
501.32260	0.9
519.33173	0.6
527.28363	0.9
545.29803	1.3
785.39624	0.9
786.39911	2.1
787.40057	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	1091.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
82.52242	0.1
89.66132	0.1
94.00489	0.1
101.02331	0.2
102.14434	0.1
104.96477	0.1
105.23217	0.1
127.01398	0.1
132.02072	0.2
141.03406	0.1
151.09131	0.1
155.03674	0.1
155.04927	0.3
167.04922	0.3
171.04445	0.1
183.04456	0.7
195.04413	3.9
196.04781	0.2
208.05099	0.1
210.03137	0.2
210.06808	0.5
211.03937	2.9
212.04289	0.2
215.03535	0.1
223.03955	1.1
223.05867	0.1
225.05521	0.4
226.06071	0.1
236.04674	0.2
237.05527	0.1
238.02647	0.2
238.06255	0.1
239.03445	23.2
240.03780	1.0
241.08844	0.1
251.03490	0.2
251.07115	0.3
252.04286	0.3
253.04953	0.4
254.05812	15.7
255.06155	0.9
264.04153	0.1
265.05179	0.1
266.02258	0.3
266.05930	0.1
267.02957	6.2
268.03394	0.3
269.08179	0.2
281.04568	0.8
281.08167	0.5
282.05319	62.2
283.05682	2.5
289.04892	0.1
292.03726	0.4
294.05258	0.1
295.06195	0.4
296.06921	0.2
297.07651	100.0
298.07993	3.7
304.07416	0.4
307.06082	3.0
308.06351	0.1
309.07703	0.2
311.09195	0.3
319.09567	0.5
324.06339	0.1
325.07266	0.1
339.08685	2.1
340.09320	0.1
363.08820	0.1
381.09851	0.1
566.95947	0.1
750.36145	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	1083.5381
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00745	6.3
81.03332	0.3
83.01257	1.7
84.02058	0.2
85.02822	13.9
85.99958	1.3
87.00751	6.1
87.04387	1.5
89.02325	2.8
90.67197	0.2
95.01263	3.0
96.01601	0.2
96.95896	0.6
97.02830	2.0
99.00756	8.5
99.04381	0.4
101.02322	5.6
103.03889	1.0
107.45972	0.2
109.25257	0.2
111.00750	0.4
112.01579	0.5
113.02328	9.5
115.00210	0.3
115.03907	1.6
119.03404	1.0
125.02329	5.8
129.01866	0.3
131.03401	3.4
132.62152	0.2
139.00247	1.0
143.03407	3.9
145.04988	0.6
157.01378	0.6
161.04478	0.5
163.06013	1.0
168.25172	0.2
205.07111	1.8
219.83232	0.2
247.08145	0.3
355.25922	0.3
425.34283	0.5
431.49350	0.2
473.36362	0.6
757.42261	0.4
895.49298	0.4
1065.53052	2.1
1083.53772	100.0
1084.54150	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	1083.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01249	0.7
91.01754	0.4
93.03323	0.7
95.01259	0.7
98.20610	0.8
107.01275	1.5
108.02046	0.6
109.02833	1.1
109.99983	4.3
111.00782	1.7
113.02342	0.4
121.02856	1.0
123.00761	1.2
125.02309	1.6
131.04944	0.7
132.02113	0.8
135.00760	1.1
136.98689	1.5
137.02351	0.8
137.99487	2.2
139.00299	4.9
143.04932	0.7
145.02931	0.4
148.01564	0.6
151.00273	6.4
152.00949	0.6
153.01894	0.9
159.04416	0.8
161.02361	0.7
163.00267	2.2
164.57481	0.4
165.01810	0.5
165.98993	6.5
166.99777	3.3
167.03554	0.4
169.01297	0.9
171.04430	0.4
175.03990	0.4
178.99753	3.3
183.04431	0.8
185.06044	0.7
187.03912	1.2
193.01395	0.5
193.98419	0.7
197.05959	0.4
198.03082	0.4
199.03960	1.5
200.04672	0.5
201.05469	1.4
206.99258	0.8
211.03952	2.8
212.04489	0.5
215.03439	0.7
226.02713	1.1
227.03458	9.8
228.04169	1.1
229.05035	3.4
229.31352	0.4
239.03386	1.8
243.02977	7.1
244.03575	1.4
245.04509	1.2
254.02205	1.0
255.02962	27.6
256.03549	2.9
257.04596	2.0
271.02472	30.0
272.03156	3.7
273.03967	0.8
283.02405	2.4
284.03247	19.4
285.04016	20.1
286.04477	1.1
287.01904	0.4
299.01935	6.0
300.02744	61.0
301.03516	44.5
302.03986	1.8
304.02487	0.4
315.05133	0.5
341.03009	0.5
343.04550	0.4
395.06274	0.5
463.08884	1.2
489.10379	25.0
490.10968	1.8
491.10538	0.6
504.08768	1.1
505.09875	100.0
506.10229	6.5
638.12421	0.6
834.19550	0.6
835.21552	1.3
957.17749	0.5
1039.27039	2.1
1084.30347	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1083.5382
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00748	4.3
83.01259	2.1
84.02005	0.3
85.02827	18.8
85.99977	0.6
86.03188	0.3
87.00755	3.8
89.02319	6.1
95.01270	5.5
97.02820	2.0
99.00764	8.3
101.02324	9.4
111.00716	0.4
112.01562	0.4
113.02332	10.6
116.09673	0.2
118.92613	0.3
119.03395	1.9
123.08763	0.3
125.02351	3.7
129.01907	0.3
131.03395	3.6
139.00276	1.9
143.03403	0.5
157.01303	0.4
159.02902	1.1
161.04466	5.8
179.05524	2.3
203.03662	0.2
221.06635	5.4
263.07822	1.1
348.17862	0.3
452.81512	0.2
510.80984	0.2
563.37329	0.3
583.40308	0.3
664.81128	0.3
723.41449	1.1
741.42206	0.4
742.41443	0.4
750.92029	0.3
895.50970	0.3
983.54010	0.3
1065.52271	2.0
1066.53064	0.4
1083.53833	100.0
1084.54150	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1081.5224
Annotation	Unknow
Peak:m/z	Relative Intensity
74.79022	0.6
75.00742	6.3
83.01264	1.2
85.02823	12.7
85.91808	0.5
85.99944	1.2
87.00742	5.9
87.04386	1.3
89.02316	2.8
91.44748	0.6
93.23878	0.5
94.61541	0.5
95.01260	2.6
97.02822	2.3
99.00755	7.5
101.02318	4.9
103.03903	0.9
107.93365	0.5
112.01539	0.6
113.02340	8.2
113.29382	0.6
115.03892	1.5
119.03394	1.3
125.02317	5.2
131.03380	3.5
139.00237	0.7
143.03380	2.7
157.01360	1.0
163.06020	1.4
205.07089	1.9
247.86125	0.7
279.46573	0.6
406.15054	0.6
421.14224	0.6
425.39059	0.6
616.06091	0.6
921.36731	0.6
1063.52380	1.1
1081.52209	100.0
1082.52454	18.2
1098.42285	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1081.5226
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00751	5.6
75.78810	0.4
83.01266	1.7
85.02826	14.0
85.99981	1.1
87.00754	6.7
87.04394	1.6
89.02305	2.5
95.01275	3.3
97.02842	2.3
99.00761	10.2
101.02325	6.7
103.03913	1.1
112.01544	0.6
113.02344	9.1
115.03908	1.6
115.26173	0.4
119.03407	0.5
125.02335	4.7
131.03406	4.0
138.02887	0.3
139.00249	1.1
143.03438	3.9
145.04976	0.6
157.01357	0.6
161.04430	0.6
163.06012	1.5
178.01970	0.4
205.07065	1.9
283.17822	0.5
337.19485	0.5
351.70935	0.4
495.04865	0.4
755.40820	0.7
841.54077	0.5
893.49121	0.7
1063.51807	1.6
1081.52295	100.0
1082.52673	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	1081.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
77.87371	0.3
91.78661	0.3
93.03364	0.5
106.61957	0.3
107.01260	1.2
112.92834	0.3
119.59023	0.3
125.02285	0.6
132.02049	0.6
135.00728	0.7
143.04915	0.5
143.57756	0.4
151.00299	2.5
159.04402	0.5
163.00333	0.8
166.04848	0.4
169.01279	0.6
172.16121	0.3
178.99756	0.5
183.04463	0.9
185.06049	0.6
187.03885	0.9
199.03885	0.5
211.03819	1.0
213.05461	0.8
217.14841	0.3
224.96490	0.4
226.23598	0.4
227.03438	23.3
228.03891	0.9
229.04985	1.6
239.03482	0.5
240.04160	0.6
247.59888	0.4
255.02960	44.5
256.03650	3.6
257.04462	2.0
283.02478	1.2
284.03253	61.2
285.03979	16.9
309.04056	0.5
326.03851	0.4
327.05045	0.8
354.18738	0.4
466.75125	0.4
575.13770	0.8
725.19318	100.0
726.19818	4.5
983.60223	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1075.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
76.03022	0.2
78.95777	72.4
96.95899	0.3
96.96841	6.3
98.20501	0.3
98.87340	0.2
103.17097	0.2
104.79785	0.2
133.86467	0.2
138.73750	0.2
150.97946	1.8
152.99490	100.0
153.99855	0.7
171.00545	4.2
209.56354	0.3
279.23227	0.5
320.53183	0.3
431.20798	0.3
433.23581	26.2
434.23856	1.3
721.19238	0.6
795.23224	1.9
1043.44458	0.6
1075.46826	17.8
1076.46851	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	1079.267
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03338	0.7
83.01249	1.8
85.02831	0.4
88.62564	0.4
91.67461	0.4
93.03357	0.8
95.01268	1.2
95.04914	0.6
97.02814	0.9
108.02077	0.6
109.02839	8.8
109.51192	0.5
112.92815	0.4
119.01281	1.1
121.02862	2.5
121.59320	0.4
122.03569	0.5
123.00778	1.8
123.04390	3.8
124.01559	0.7
125.02343	36.2
126.02641	0.6
131.04811	0.6
133.02856	1.2
135.00764	1.6
135.04402	1.7
137.02356	12.3
137.03438	0.6
139.03905	1.0
143.04889	0.5
145.02841	1.8
146.03647	0.9
147.00783	8.5
147.04425	0.7
148.01553	1.0
149.02351	5.7
150.03101	0.9
151.00267	1.0
151.03900	4.9
153.01857	0.5
159.04414	2.4
161.02351	7.2
161.05972	2.0
162.03101	1.2
162.98930	1.0
163.00279	18.8
163.03940	1.7
164.01073	4.7
165.01865	8.8
169.01346	14.0
171.04417	0.8
173.02338	0.7
173.05957	0.7
174.03236	0.6
175.00293	22.6
175.03934	3.2
176.01073	4.0
177.01855	14.8
179.03377	1.7
182.02060	0.5
183.04425	1.5
185.02359	1.0
185.06039	1.6
187.03923	4.6
188.04607	0.7
189.01849	1.8
189.05501	1.1
190.02643	2.1
191.03424	12.8
193.01418	2.3
195.04512	0.4
197.05832	0.6
199.03928	2.0
201.01851	2.1
201.05499	2.0
202.99791	1.0
203.03497	2.0
203.07159	2.8
204.00581	0.9
205.01346	2.1
205.05035	3.0
209.05997	0.6
211.03989	2.5
213.01865	1.0
213.05519	1.7
214.02690	1.2
215.03487	7.3
216.03946	0.6
217.01395	3.0
217.04965	1.6
219.02934	1.1
225.05505	1.3
227.03455	3.6
227.06870	0.7
228.04198	1.4
229.01396	0.9
229.05029	3.5
230.02200	0.8
231.02960	1.8
233.04443	4.0
234.04674	0.6
237.05554	0.7
238.02649	0.5
239.03432	2.0
240.04338	0.9
241.01254	0.5
241.04976	1.3
242.02104	0.7
243.02966	6.4
243.06584	0.7
245.04504	1.7
245.08073	3.9
247.06013	0.7
251.03523	0.8
253.04987	1.6
255.02972	8.0
256.03595	2.4
257.04556	6.9
258.05142	0.8
259.02481	1.5
259.06137	1.1
261.04041	1.3
265.05026	0.8
267.02954	1.4
269.04538	2.4
270.05093	0.6
271.02576	2.2
271.05978	2.9
272.03067	1.4
273.03842	2.6
279.02930	0.6
279.06134	0.5
280.03824	0.6
281.04483	2.0
282.01727	0.9
283.02460	4.1
283.05734	0.8
284.03107	0.9
285.04047	4.8
287.02237	1.1
287.05615	1.2
288.02792	0.9
289.07196	15.0
290.07581	0.9
295.02481	2.1
295.05865	0.8
296.03152	0.8
297.04001	1.9
299.01962	2.3
299.05618	2.1
300.02762	5.8
301.03525	49.3
302.03888	2.9
303.05057	5.5
307.06079	0.6
308.03510	0.8
309.03918	2.2
313.03598	4.0
313.06976	0.7
319.05496	0.9
321.04056	0.5
323.05594	5.4
325.03531	1.9
326.04190	1.0
327.05106	5.3
335.05624	1.0
341.06760	0.9
343.04504	0.9
347.05411	0.6
363.04913	0.6
379.08237	1.1
389.06674	2.5
391.04367	0.7
403.04510	1.6
404.05054	0.7
405.05710	0.7
407.07761	13.0
408.08203	0.7
411.07376	0.6
421.09515	0.6
423.07260	0.7
431.04144	0.9
434.06677	0.6
435.07327	2.5
439.06693	44.8
440.06854	1.9
441.08295	3.9
447.07193	7.2
452.07562	3.8
453.08163	6.3
465.08246	12.8
466.08731	0.7
479.06198	0.8
487.10147	1.9
505.10007	2.4
529.11194	0.8
537.08038	0.9
547.12091	0.9
555.09363	10.9
556.09424	1.1
559.09131	2.7
573.10382	20.9
574.10724	2.0
590.10474	0.7
591.11432	100.0
592.11676	7.2
599.07599	0.5
604.08563	1.5
605.09430	3.1
617.09503	4.8
725.10779	2.3
743.12482	27.2
744.12775	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	1073.5542
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00748	5.9
75.01187	0.2
79.55566	0.1
81.03320	0.2
83.01258	1.9
84.02073	0.2
85.02827	12.8
85.99973	1.4
86.03165	0.2
87.00223	0.3
87.00752	6.1
87.04390	1.3
87.45698	0.1
88.01069	0.2
89.02317	3.1
93.27281	0.2
95.01272	2.7
96.77431	0.2
97.02831	0.2
99.00760	8.2
99.04400	0.3
101.02330	6.7
103.03892	1.0
109.02884	0.2
111.00752	0.3
112.01569	0.7
113.02335	9.1
115.00241	0.3
115.03901	2.0
119.03374	1.0
125.02340	0.6
127.03922	0.2
129.01785	0.2
130.23976	0.1
131.03404	4.5
137.02364	0.2
139.00273	1.1
143.03413	3.6
145.04968	0.6
157.01343	0.6
159.02881	0.2
161.04443	0.4
163.05991	1.1
173.38698	0.1
184.23994	0.1
205.07182	2.0
244.68590	0.1
247.08215	0.3
251.24315	0.1
557.38300	0.2
569.38129	0.3
589.40912	0.5
682.30139	0.2
729.43060	0.2
747.42694	0.4
1011.54755	0.4
1055.54785	1.6
1056.54932	0.2
1073.55359	100.0
1074.55725	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	1067.5428
Annotation	Unknow
Peak:m/z	Relative Intensity
74.27496	0.3
75.00746	6.2
75.15087	0.3
78.95737	0.4
81.03281	0.4
82.81179	0.3
83.01257	2.2
85.02822	13.4
85.99946	1.1
87.00744	6.2
87.04380	1.2
89.02320	3.1
95.01276	2.8
96.95894	0.3
97.02843	2.6
98.20646	0.4
99.00754	8.6
101.02318	5.8
103.03874	1.5
109.02847	0.3
111.00745	0.6
112.01510	0.7
113.02325	9.0
115.03886	1.6
119.03393	0.8
119.07117	0.4
125.02321	4.5
131.03375	3.0
139.00244	1.0
143.03419	3.5
145.04979	0.7
155.19284	0.3
157.01257	0.8
163.05994	1.4
185.75711	0.3
203.27586	0.4
205.07083	2.2
247.08073	0.5
535.81238	0.4
741.42090	0.6
939.62109	0.4
1005.54871	0.4
1049.52795	1.9
1067.54236	100.0
1068.54626	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	1073.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01256	0.6
91.01765	0.2
92.08985	0.2
93.03329	0.4
107.01263	1.9
108.02054	1.0
109.02824	2.1
119.57204	0.2
121.02847	3.7
122.03617	1.6
123.04394	0.3
124.01550	0.4
125.02335	0.7
134.03615	0.3
135.00789	0.6
135.04436	0.4
137.02342	0.6
147.04456	1.3
148.01591	0.8
149.02454	0.5
151.00279	7.8
153.01848	0.4
154.02672	0.5
159.04384	0.3
163.00293	1.8
164.01027	0.3
165.05484	4.8
166.05789	0.3
167.04813	0.3
169.01318	1.3
173.05946	0.3
175.03864	0.4
178.99782	4.0
179.07114	1.7
183.04401	0.3
187.03860	0.3
190.99794	0.4
198.03119	0.4
199.03986	0.5
203.03421	0.6
211.03934	1.1
215.03444	0.5
216.04198	0.4
223.09778	0.3
226.02699	1.2
227.03395	2.2
228.04065	0.3
229.01437	0.2
229.05031	0.2
239.03354	0.2
243.02959	7.3
244.03482	0.5
245.04482	1.4
254.02274	1.9
255.02974	18.3
256.03421	1.3
271.02481	44.2
272.02963	3.2
273.04019	0.9
283.02448	1.3
299.01944	1.1
300.02747	79.7
301.03494	35.3
302.04047	1.2
312.02676	0.3
313.14355	0.3
315.12387	0.4
328.03494	0.3
346.14191	2.6
361.16565	38.4
362.17017	1.8
463.08820	100.0
464.09088	6.2
505.21115	0.7
565.23169	1.8
702.56055	0.3
717.76385	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.542
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00750	8.0
83.01239	2.4
85.02819	17.1
85.99955	1.6
87.00750	6.6
87.04394	2.1
89.02323	4.7
95.01264	4.1
97.02836	3.0
98.19827	0.8
98.20476	0.9
99.00754	11.0
101.02322	7.5
103.03897	1.7
112.01546	1.0
113.02328	11.3
115.03872	3.1
116.88583	0.4
119.03391	1.4
121.17332	0.4
125.02332	6.3
131.03389	4.6
139.00249	1.1
143.03389	4.8
145.04955	1.1
157.01266	1.1
161.04369	1.3
163.05991	1.8
177.93031	0.4
205.07092	2.4
216.86308	0.4
247.08159	0.5
515.23688	0.5
541.02930	0.4
583.40320	0.5
623.62854	0.5
741.42365	0.5
884.25714	0.4
1013.88733	0.5
1049.53516	1.5
1050.53613	0.6
1067.54260	100.0
1068.54614	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	1065.527
Annotation	Unknow
Peak:m/z	Relative Intensity
74.42296	0.2
75.00736	4.3
77.87717	0.2
78.10657	0.3
78.95752	0.3
81.03320	0.4
83.01251	2.7
84.02007	0.3
85.02824	10.0
85.99969	1.1
87.00751	7.0
87.04411	1.4
89.02312	2.9
95.01265	3.1
97.02827	3.2
98.19960	0.4
99.00757	11.1
99.04377	0.3
101.02322	6.3
102.91006	0.3
103.03864	0.7
109.02847	0.3
111.00745	0.5
112.01561	0.3
113.02325	10.0
115.00286	0.3
115.03897	1.5
119.03423	1.2
123.00811	0.3
123.01808	0.2
124.01521	0.3
125.02337	5.4
127.03848	0.4
129.01871	0.3
131.03384	3.4
139.00255	0.7
143.03398	3.4
145.04999	0.4
157.01326	0.8
161.04460	0.7
163.06036	1.2
181.91438	0.3
205.07100	1.7
209.11786	0.3
247.08177	0.6
301.22324	0.3
463.35788	0.7
563.37384	0.3
649.41302	0.3
725.01160	0.3
739.40533	0.4
877.50018	0.7
1047.52356	2.6
1065.52686	100.0
1066.53064	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	1065.6367
Annotation	Unknow
Peak:m/z	Relative Intensity
80.02546	0.7
81.03333	1.1
82.76872	0.3
83.01287	0.6
83.04898	3.2
85.02811	1.0
87.00765	0.8
89.02322	1.8
91.03880	0.4
95.01237	0.5
95.04926	0.8
97.02840	1.6
97.06448	0.6
97.66712	0.3
99.92466	0.6
101.02332	2.4
107.08553	0.5
109.06480	0.6
111.08043	5.2
113.02308	1.7
115.03883	0.4
116.92768	1.9
119.03386	0.7
119.08555	3.0
125.02352	0.7
125.09625	1.9
127.07584	0.6
127.11172	1.0
135.08047	0.8
137.09624	5.3
139.11212	0.4
146.49788	0.3
149.00868	0.9
149.09540	0.5
151.07579	0.3
151.11215	0.6
153.09087	0.8
153.12778	0.5
155.10710	1.3
159.04234	0.4
161.04478	1.4
163.11209	3.3
165.12776	2.7
167.10699	1.0
169.01120	0.3
169.12239	2.4
171.10185	21.2
172.10551	0.4
179.05540	0.5
179.10732	0.5
181.12265	1.2
183.10172	1.4
183.13832	0.8
185.11749	5.5
191.10699	0.9
193.12277	0.5
197.11771	28.2
198.12209	0.9
199.13367	1.7
201.11250	1.5
207.10289	0.5
209.11777	100.0
210.12114	4.0
211.13336	6.0
213.11215	1.1
223.13264	0.4
225.11261	1.2
227.12849	15.3
228.13350	0.4
235.08231	4.3
247.20692	0.7
253.09264	16.5
263.20145	1.5
265.17993	0.7
273.18658	2.8
291.19669	27.6
292.19974	1.3
293.21201	2.8
309.20715	81.0
310.21021	4.6
342.06607	0.3
433.20657	1.2
445.20676	2.5
501.32297	0.9
527.28387	1.1
545.29987	2.6
555.30530	0.4
737.41113	0.6
827.60870	0.4
933.48804	0.9
1065.54480	1.0
1066.55664	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1065.6362
Annotation	Unknow
Peak:m/z	Relative Intensity
80.02557	0.8
81.03309	0.9
82.85584	0.5
83.01267	0.7
83.04895	4.0
84.02073	0.7
85.02820	1.1
87.00708	1.2
89.02303	2.0
95.04904	0.8
97.02847	0.9
97.06500	0.5
101.02332	3.3
109.06498	0.9
111.08030	9.0
112.38511	0.5
113.02333	2.0
119.03403	0.6
119.65942	0.5
125.02323	1.8
127.07516	0.7
133.02791	0.8
135.08041	0.6
137.02269	0.7
151.11163	0.6
153.12721	1.3
159.47099	0.6
161.04449	1.9
163.11142	3.2
165.12743	2.5
167.10765	0.7
169.12263	4.9
171.10196	3.0
179.05484	0.7
181.12257	1.4
183.13872	1.3
185.11626	0.6
193.12222	0.8
195.13898	0.9
197.11760	59.5
198.12114	1.9
199.13351	3.1
207.10289	0.6
209.11768	100.0
210.12135	2.9
211.13329	10.7
212.13672	0.9
225.11241	2.2
227.12836	15.5
235.08192	4.0
253.09244	18.6
254.09633	0.6
263.20126	3.9
265.18054	1.7
273.18655	1.1
291.19684	20.8
292.19980	0.7
293.21204	3.3
301.14352	0.6
309.20703	82.9
310.21039	4.1
328.47650	0.5
369.62067	0.6
433.20972	1.2
445.20743	2.5
461.21234	0.6
501.32190	0.7
519.33020	0.8
527.28601	1.3
545.29517	2.4
671.09937	0.7
825.08899	0.7
851.15662	0.7
1065.49500	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1065.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03336	2.2
83.01270	3.6
93.03331	4.3
97.02789	1.7
105.03342	3.0
107.04924	3.7
109.02828	8.4
117.52891	1.4
121.02821	8.5
123.00742	2.5
123.04433	1.7
123.46554	1.5
124.01572	2.4
125.02338	100.0
126.02676	2.2
131.04910	3.1
133.02802	4.2
133.39845	1.6
137.02338	15.7
139.03935	4.6
145.02780	1.9
147.00706	1.4
149.02298	8.7
151.03934	16.0
155.04910	2.5
161.02376	12.7
163.00275	6.1
163.03922	3.4
164.01033	5.2
165.01830	8.7
167.03377	7.3
169.01329	5.0
173.06017	2.3
174.03120	2.2
175.00323	5.3
175.03949	24.5
176.01018	3.2
177.01854	98.6
177.05434	2.8
178.02325	2.4
179.03436	2.7
185.02417	1.8
187.03972	3.3
189.01819	4.7
189.05389	2.4
190.02583	2.1
191.03389	9.7
193.01369	3.8
193.04956	2.7
199.03932	11.6
201.01903	4.7
201.05502	2.5
203.03430	4.2
211.03952	2.3
215.03461	5.1
217.01447	3.4
217.04976	14.0
219.02914	13.4
219.06403	3.4
221.04561	1.7
227.03452	4.8
229.01382	3.1
229.04948	4.6
239.03513	2.1
241.05089	1.8
243.02956	49.2
244.03203	2.5
253.05180	2.1
255.02988	14.9
256.03583	4.1
257.04507	3.3
259.06219	1.8
261.04010	20.8
267.03113	3.3
269.04556	9.9
273.04007	2.6
277.04999	2.0
282.01740	3.0
283.02448	8.4
285.03970	6.9
287.05618	4.6
293.04614	3.9
295.02380	1.9
297.04019	4.9
301.03485	3.6
303.05057	20.6
303.30185	1.5
305.06784	16.2
333.04449	1.7
347.05484	2.0
349.61594	1.8
361.03589	2.3
373.03519	2.4
391.04388	2.2
405.06146	5.0
411.07123	2.0
419.03723	2.2
421.05597	2.6
423.07257	41.9
424.07144	2.0
427.06857	2.3
429.08148	6.1
439.06891	5.7
441.08209	3.3
457.07910	3.3
465.08316	6.0
481.07767	5.2
483.09207	4.8
541.07770	16.0
559.08832	5.3
575.08417	5.0
591.11560	7.7
593.09491	4.7
601.09534	4.3
607.11200	5.8
609.12177	3.6
635.09998	3.3
636.73450	1.8
709.11847	9.4
711.09930	3.2
727.12793	12.0
728.14276	2.2
761.13776	6.7
762.14368	1.9
769.13873	1.9
879.14374	5.6
882.61926	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	1063.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
93.03364	2.3
95.01232	2.8
105.03363	2.5
109.02878	9.8
119.01260	2.9
121.02804	4.3
123.00799	4.0
124.01530	3.3
125.02336	71.5
130.06071	1.8
133.02853	4.5
135.04411	1.8
137.02338	19.4
138.03128	2.1
139.03920	4.8
145.02838	2.3
147.00764	12.8
147.04446	1.8
149.02315	8.2
151.00154	1.9
151.03914	8.6
159.04393	3.5
160.01537	1.7
161.02345	11.9
163.00316	18.7
164.01027	8.0
165.01857	7.4
167.03357	6.5
169.01332	12.7
171.04404	2.3
173.05971	2.6
174.03195	2.4
175.00304	22.8
175.03949	12.9
176.01001	4.2
177.01852	56.6
177.05403	2.2
178.99837	2.3
179.03383	2.0
187.03920	6.4
189.01921	2.6
190.02660	3.2
191.03436	14.6
193.01352	2.5
193.04945	2.8
199.03975	9.0
201.01770	5.1
202.99919	2.0
203.03374	3.6
211.04024	3.2
213.05510	2.3
215.03468	11.2
217.01357	7.9
217.04948	8.2
219.02927	5.0
225.05547	2.2
227.03424	6.1
229.01323	4.4
229.05072	6.7
233.04443	5.2
239.03525	3.1
241.04906	2.5
243.02989	26.8
255.02940	20.8
256.03656	6.7
257.04489	7.3
261.04010	11.4
265.04898	2.7
267.02875	3.5
268.03824	2.7
269.04587	6.4
271.02420	2.3
273.04034	4.7
281.04465	2.3
283.02463	11.6
285.03964	6.9
287.05612	3.7
295.02643	4.0
296.03198	3.4
297.03992	5.0
299.02170	2.7
299.05609	3.2
300.02682	3.4
301.03488	41.8
302.03796	2.7
303.05161	6.7
305.06696	6.4
313.03543	2.3
319.04813	3.1
323.05588	5.3
325.03586	3.7
333.03946	2.0
335.05457	2.3
347.05630	3.4
371.04965	2.0
387.05136	3.7
391.04526	3.2
403.04608	4.3
405.06253	2.9
423.07233	21.1
427.06793	17.9
439.06677	12.9
457.07626	2.2
463.06555	5.2
469.07721	3.9
475.06525	2.2
481.07703	6.7
541.07922	9.1
545.07404	3.8
557.07324	16.6
563.08130	2.8
571.09052	5.1
575.08447	15.5
581.07611	4.4
587.07617	2.8
588.69971	2.1
589.09869	20.3
590.10333	2.3
599.08380	12.6
607.10919	49.0
608.11346	4.4
633.08063	2.1
681.12415	3.6
689.09344	4.8
707.10583	18.7
708.10712	3.5
725.11499	100.0
726.11804	13.4
743.12885	4.3
759.11871	7.8
785.13776	2.7
877.12238	7.9
893.15033	2.2
895.14465	2.8
911.17084	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	106.0399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86768	0.3
60.02800	0.4
64.00540	6.5
64.01793	18.8
65.01315	52.0
65.02064	1.0
65.99719	15.7
66.00832	0.9
66.01665	0.8
77.01334	0.6
79.02879	4.0
80.00033	0.5
83.99873	0.4
90.00832	0.4
105.03175	0.7
106.01614	1.3
106.03989	100.0
107.01177	0.7
107.02385	11.5
107.03526	11.1
107.04315	4.4
107.04925	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	1061.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
91.01801	0.3
98.20592	0.2
101.02325	0.2
115.41558	0.1
117.03396	0.1
132.02054	2.0
135.00816	0.6
149.10619	0.1
153.01897	0.3
155.04842	0.2
167.04970	0.3
182.03654	0.1
183.04518	0.4
195.04430	3.1
196.05190	0.3
208.05238	1.6
210.06854	0.3
211.03972	1.7
223.03935	5.7
224.04735	2.0
225.05421	0.2
227.03464	0.4
236.04802	0.5
239.03459	11.3
240.03757	0.6
251.03490	3.7
251.07147	0.4
252.04256	51.7
253.04625	2.4
254.05818	8.1
255.02994	1.7
255.05966	0.2
266.02438	0.1
267.06610	100.0
268.06943	4.8
269.08151	0.5
274.06329	0.2
281.04498	0.5
281.08102	0.5
282.05331	33.0
283.02441	2.5
283.05695	1.5
284.03317	0.7
285.04053	0.3
289.08624	0.2
292.03723	0.3
295.06152	0.7
297.07669	50.4
298.07999	2.5
304.07330	0.2
307.06134	1.5
309.07681	1.1
311.09177	0.1
339.08618	1.0
340.08752	0.1
406.18912	0.1
504.53204	0.1
709.26691	0.2
725.19366	1.8
726.19812	0.2
948.26050	0.1
1004.84344	0.2
1061.31067	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
76.48578	1.8
83.01253	4.6
93.03331	3.9
95.01289	1.8
105.03358	5.5
109.02857	11.2
121.02854	9.0
121.95126	1.6
123.00759	5.4
124.01620	3.9
125.02343	100.0
126.02684	3.2
131.04890	2.4
133.02859	5.9
135.00768	3.1
137.02350	32.3
139.03914	7.5
143.04941	2.4
145.02873	2.5
147.00771	13.2
147.04486	2.7
148.01624	1.9
149.02354	20.2
151.03918	13.3
155.04918	1.8
159.04414	3.6
161.02361	21.2
162.02887	1.7
163.00298	24.7
163.03911	5.4
164.01041	6.8
165.01851	12.6
167.03450	9.7
169.01364	7.8
173.05936	2.2
175.00311	26.0
175.03902	17.3
176.01036	6.6
177.01869	87.9
177.05368	4.3
178.02202	2.7
179.03383	6.9
183.04433	3.5
185.02310	2.4
186.02902	1.8
186.26923	1.8
187.03943	6.8
189.01933	4.2
189.05498	2.5
190.02606	3.3
191.03421	16.9
193.01355	3.6
193.04935	2.0
199.03951	11.8
201.01874	8.8
201.05511	5.7
202.99728	2.4
203.03473	7.0
204.04280	2.1
211.03941	3.8
213.01935	1.9
213.05475	4.3
215.03503	11.1
217.01373	5.6
217.04976	8.2
219.02951	7.4
219.06622	5.2
221.04512	4.0
225.05585	2.5
227.03308	8.4
229.01373	5.9
229.05000	5.6
231.02841	3.1
233.04501	5.8
241.05013	3.5
243.02986	25.8
244.03650	2.8
245.04536	3.9
253.05037	3.0
255.02971	24.1
256.03659	6.2
257.04489	10.8
259.02454	5.9
261.04037	6.9
267.02982	4.0
269.04550	14.5
271.02560	3.4
273.04083	3.6
279.03140	2.0
282.01767	3.9
283.02551	16.1
283.05658	2.8
285.04001	6.9
287.02451	3.2
287.05496	14.4
288.02740	4.7
295.02484	5.1
297.04095	10.1
299.02087	2.7
299.05582	4.0
300.02716	2.8
301.03537	52.3
302.03809	3.3
303.05228	7.2
305.06686	39.7
311.05569	2.6
313.03482	4.8
315.05002	3.5
319.04968	3.1
323.05710	3.9
325.03491	3.1
339.05045	2.9
341.02826	2.5
367.04208	1.7
375.04776	2.4
391.04507	3.6
399.07004	2.1
405.05997	3.5
419.03802	3.3
423.07254	50.2
425.05200	2.6
427.06705	81.0
428.07022	5.9
439.06992	2.2
447.07510	2.0
457.07669	4.9
461.05658	2.7
465.08749	9.2
467.05664	2.1
479.06277	3.7
483.09537	19.0
484.09848	3.2
495.09583	2.5
541.07666	5.5
545.07269	2.9
557.07343	5.8
563.08582	8.8
575.08276	13.3
581.06921	3.6
586.07489	3.5
587.07910	4.2
591.11053	3.1
593.09540	4.2
599.08423	10.5
603.07813	4.8
605.09631	7.3
609.11963	2.7
635.10315	5.4
689.09625	2.9
703.14923	1.8
707.10663	12.4
723.88275	1.9
725.11499	56.1
726.11682	9.1
743.12225	11.3
744.12769	2.5
754.11182	2.5
761.13666	2.6
767.12305	2.9
877.12488	7.1
884.80591	1.8
893.16254	3.8
895.13593	9.0
911.16699	6.6
1063.17456	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	1053.5272
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02813	2.2
75.00743	6.2
77.16171	0.1
78.95779	0.3
81.03334	0.2
83.01253	2.3
84.02020	0.3
85.02818	20.5
85.99963	0.8
86.03132	0.3
87.00744	4.0
88.15788	0.1
89.02308	4.6
89.02830	0.3
93.84533	0.1
95.01257	4.8
97.02821	2.9
99.00753	9.4
100.01550	0.2
101.02319	7.2
108.05507	0.1
110.74812	0.2
111.00743	0.3
112.01567	0.4
113.02326	13.8
114.02687	0.2
115.00259	0.3
119.03387	1.5
125.02327	5.1
126.02611	0.2
129.01820	0.3
131.03384	4.0
139.00273	1.7
143.03395	0.7
157.01328	0.7
159.02863	0.8
161.04465	4.3
164.72151	0.2
179.05539	1.2
191.05556	0.2
221.06613	3.6
263.07648	0.7
583.39758	0.4
723.40936	0.4
741.42291	0.3
953.50122	0.2
1035.51611	2.0
1036.51807	0.4
1053.52686	100.0
1054.53027	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	1055.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00757	0.9
81.78299	0.2
83.01265	0.9
85.02826	3.6
87.00752	1.0
89.02336	0.6
91.01798	0.3
92.21847	0.2
93.03336	1.9
95.01286	1.1
99.00774	1.7
103.00233	0.5
107.01286	2.3
108.02062	0.4
109.02848	0.9
111.00838	0.4
113.02350	5.6
115.00256	0.3
117.01852	0.3
117.03359	0.7
121.02885	0.4
123.00817	0.3
125.02353	0.9
129.01799	0.3
131.04906	0.3
132.02162	0.3
133.02841	0.3
135.00798	1.6
137.02361	0.6
139.00261	0.3
141.06953	0.2
143.04926	1.3
145.02808	0.6
145.06525	0.3
151.00290	2.2
153.01822	0.6
155.04922	0.6
157.06483	0.5
159.04440	1.4
161.02338	0.4
163.00281	2.8
164.01006	0.5
165.01894	0.4
167.04961	0.6
169.01352	0.7
169.06520	1.4
171.04449	0.9
174.03131	0.3
175.02382	2.0
183.04460	1.0
185.05998	3.4
187.00279	0.2
187.03922	4.2
189.05478	1.4
190.99976	0.3
192.00632	0.3
195.04492	0.6
196.05127	0.3
197.06056	1.4
199.03967	0.8
201.05504	1.0
211.03964	2.8
212.04706	0.4
213.05527	2.7
214.02711	0.6
215.03461	0.7
217.04919	0.3
223.04037	0.4
224.04608	0.3
227.03459	18.8
228.03868	0.9
229.05034	13.4
230.05316	0.6
235.41286	0.2
237.55022	0.3
239.03464	2.2
240.04219	1.0
241.05083	1.9
243.02985	0.7
255.02988	30.2
256.03735	3.3
257.04550	7.9
258.04877	0.4
267.02933	1.0
283.02322	0.5
284.03284	36.9
285.04044	100.0
286.04416	4.8
299.20236	0.2
301.03510	0.4
327.05130	0.9
461.07285	14.9
462.07712	0.8
505.10025	0.4
591.26202	0.3
593.15137	88.8
594.15466	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	1059.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
78.82556	0.7
81.03301	1.0
83.01267	2.9
91.01791	1.0
93.03323	4.3
95.01256	1.0
95.04926	0.6
97.02837	1.2
98.19813	1.1
98.67139	0.6
105.03329	2.4
107.04907	3.7
108.02094	0.6
109.02852	7.0
117.03396	1.5
119.04896	1.9
121.02850	6.5
121.06487	0.6
123.00779	1.6
123.04408	1.1
124.01545	1.6
125.02337	91.5
126.02679	2.2
130.04205	0.7
131.04938	2.7
133.02873	6.2
135.00812	1.4
135.04414	1.5
137.02342	15.6
139.03931	3.7
143.04926	1.1
145.02840	1.8
147.00757	1.7
147.04443	1.7
149.02341	9.7
149.05971	1.6
151.00328	0.6
151.03920	14.3
155.04903	1.2
157.02756	0.8
159.04414	2.5
161.02345	11.0
161.06021	0.7
162.02888	0.8
163.00296	5.7
163.03903	3.6
164.01041	4.5
165.01834	7.0
165.05602	0.8
167.03433	3.9
169.06583	0.7
171.04475	1.1
173.02399	1.4
173.05989	1.3
174.03111	1.8
175.00334	4.3
175.03920	23.8
176.01050	2.8
177.01849	100.0
177.05466	2.7
178.02223	3.3
179.03416	2.3
183.04539	1.4
185.06017	0.9
187.03906	4.0
189.01869	2.9
190.02586	1.4
191.03375	4.6
193.04956	2.3
199.03951	11.0
201.01880	4.8
201.05502	2.3
203.03395	2.8
205.01349	1.1
205.05011	1.4
211.03889	2.3
213.05550	1.9
213.51021	0.6
214.02521	1.0
215.03441	3.0
217.01385	1.9
217.04988	13.0
218.05571	0.8
219.02930	12.2
219.06450	1.5
221.04559	1.1
225.05501	2.3
227.03406	4.1
229.01355	2.7
229.04993	3.2
231.02824	2.1
233.04390	1.0
235.05946	0.9
239.03496	1.2
241.05072	1.9
243.02960	45.7
244.03345	2.3
245.04323	1.5
247.02287	1.5
249.05525	1.1
251.03499	1.2
253.04959	1.2
255.02959	11.1
256.03641	2.6
257.04520	1.9
259.02435	1.5
259.06021	1.6
261.04019	22.8
261.07004	1.1
262.04556	1.2
267.02936	2.1
269.04611	7.8
270.04929	0.9
271.02499	0.7
272.03006	0.9
273.04044	2.1
281.04636	1.6
282.01935	0.8
283.02438	6.1
285.04034	5.1
287.05573	5.5
288.02649	1.3
289.07318	0.9
293.04681	3.4
295.02472	2.6
297.03970	3.5
299.02213	0.9
301.03519	4.9
303.05090	24.1
305.06815	10.3
311.05588	1.7
313.03638	1.4
313.07141	1.3
315.05188	1.9
317.04501	0.8
321.04001	0.7
323.05566	1.8
331.08301	0.8
335.05603	1.9
337.07129	1.5
353.06506	1.1
361.03470	1.3
362.04559	0.7
373.03540	1.0
374.04327	1.5
379.08621	1.5
387.05240	1.0
391.04526	2.6
403.04318	1.4
405.05942	4.0
407.07520	1.0
419.04062	2.2
421.05603	4.3
423.07227	32.4
424.07513	2.9
427.06552	2.4
429.08289	7.2
437.05121	1.4
439.06659	5.7
441.08505	1.5
448.09299	0.7
451.10205	2.4
453.08167	1.0
461.08902	0.9
463.06339	0.8
465.08228	4.3
469.92517	0.7
481.07898	3.2
483.09439	4.3
515.09583	1.1
523.07025	1.6
541.07764	12.5
542.08002	1.3
559.08795	6.6
560.07513	0.8
565.09698	0.9
569.10852	2.6
573.10388	0.9
577.09601	1.7
583.08771	1.5
587.11865	5.2
591.11340	6.1
601.10120	3.8
607.10712	2.7
609.12366	3.2
629.12891	2.4
687.11194	3.8
691.10565	1.3
705.12469	6.5
709.11774	9.3
710.12085	1.1
723.13806	1.1
727.12988	10.2
755.16022	3.5
765.14972	1.2
767.28491	0.9
769.13470	1.9
787.14368	0.9
873.16974	7.1
874.17981	1.0
891.17902	1.4
895.16766	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.5492
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99179	2.2
73.02823	2.8
75.00748	7.3
77.73914	0.3
78.95763	0.3
81.03297	0.4
82.75298	0.3
83.01265	2.4
85.02824	10.2
85.98440	0.3
85.99976	1.3
86.03201	0.3
86.03891	0.3
87.00752	5.9
87.04410	1.5
89.02312	4.6
95.01263	2.4
97.02828	3.8
99.00760	8.4
99.04440	0.3
101.02328	7.2
101.02994	0.3
103.03273	0.2
103.03902	1.3
106.53777	0.3
111.00814	0.4
111.56815	0.3
113.02335	7.2
114.02644	0.3
115.00209	0.4
115.03865	1.8
119.03403	1.2
125.02345	7.1
131.03398	2.8
139.00281	0.6
143.03400	3.9
145.04985	0.7
146.41885	0.3
152.85408	0.3
157.01314	0.5
161.04440	0.8
163.06032	1.7
167.03358	0.3
205.07121	2.7
225.73280	0.3
247.08186	0.5
565.38855	1.5
635.43427	1.0
725.42633	0.9
863.51996	0.8
989.56097	0.4
1033.53613	3.3
1034.54773	0.4
1051.54834	100.0
1052.55139	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	1051.5482
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99178	1.2
73.02816	4.0
75.00746	6.7
81.03319	0.4
83.01258	2.6
85.02821	10.7
85.99947	1.0
87.00757	5.9
87.04411	1.7
89.02320	3.5
94.07875	0.3
95.01261	2.5
96.01634	0.3
97.02258	0.3
97.02832	4.2
99.00756	7.6
101.02320	6.4
103.03895	1.1
111.00773	0.5
112.01556	0.3
113.02326	7.3
115.03882	1.9
119.03368	1.0
125.01440	0.5
125.02328	6.8
131.03392	3.5
139.00293	0.3
143.03387	3.9
145.04973	0.6
151.22710	0.3
157.01295	0.5
161.04436	0.7
163.06023	1.0
205.07138	2.5
227.45779	0.2
241.00256	0.3
289.96500	0.3
345.87708	0.4
375.02936	0.3
382.73770	0.3
384.97723	0.3
439.35355	0.3
465.37180	0.6
508.71527	0.3
565.39209	1.4
635.43268	1.4
707.41443	0.5
725.43542	0.3
863.51422	0.8
951.52863	0.3
1033.53699	3.7
1034.53894	0.8
1051.54773	100.0
1052.55139	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	1049.6787
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95775	15.9
79.77403	0.1
96.96838	0.2
122.98405	0.4
134.98404	0.2
152.99483	2.8
168.04228	2.7
220.64604	0.1
224.06883	8.5
225.07361	0.1
231.50575	0.1
237.22130	0.3
242.07951	1.8
248.91794	0.1
255.23262	100.0
256.23608	4.3
312.68903	0.2
387.56839	0.2
393.69943	0.2
409.23392	0.2
446.48621	0.1
452.27621	0.2
480.30923	91.9
481.31216	3.9
495.27081	0.5
551.71820	0.1
554.34711	3.1
555.35120	0.2
997.52264	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03333	1.4
83.01274	1.0
85.02821	1.4
93.03342	1.0
95.04915	1.1
97.02829	3.1
107.01273	1.1
109.02830	9.0
111.00797	0.8
113.02304	0.7
121.02821	4.6
122.03628	2.9
123.00774	2.2
123.04424	5.5
124.01575	1.3
125.02344	70.4
126.02718	1.6
135.04401	1.6
137.02342	7.6
139.00183	0.8
139.03880	1.2
140.01057	1.0
145.02841	1.7
147.04430	1.4
149.02345	2.2
150.03186	1.1
151.00275	1.1
151.03909	5.0
154.02600	0.8
159.04460	1.5
161.02368	1.2
161.05980	2.3
163.03917	1.1
164.01064	1.0
165.01888	3.3
165.05495	5.4
166.99806	1.2
167.03529	1.4
168.00601	0.8
169.01347	100.0
170.01678	2.5
171.59695	0.7
175.03879	1.0
175.07562	0.7
177.01834	0.9
178.99927	0.6
179.03433	3.0
179.07054	1.3
183.04381	0.7
185.05940	0.9
187.03935	2.0
188.04648	0.7
193.01321	4.7
201.05406	0.7
202.06279	0.8
203.07066	5.2
205.05002	2.6
221.08180	1.9
227.07109	1.5
230.05710	0.7
243.02821	1.1
245.04546	0.7
245.08188	7.9
253.05141	1.2
255.02954	0.9
256.03854	0.7
269.04514	1.1
271.02896	1.1
271.06137	5.3
284.03323	1.8
285.03964	3.9
289.07196	42.0
290.07523	1.9
300.02792	1.5
301.03448	2.5
303.05145	2.7
331.04745	1.8
346.14273	3.1
361.16577	43.3
362.17044	2.7
441.08298	49.0
442.08694	2.1
447.09473	2.4
463.08969	1.0
547.24323	1.8
565.22992	1.7
591.11731	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1047.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
73.53890	0.2
76.63154	0.2
81.03334	2.9
83.01266	0.9
85.02833	0.5
88.51784	0.2
95.01277	0.4
97.02841	0.4
97.34227	0.2
99.08070	1.1
101.02315	0.5
101.05894	0.3
107.01261	2.5
108.28097	0.2
109.02843	0.2
111.00782	0.4
113.02323	0.4
121.02790	0.3
121.06486	0.2
123.00758	2.1
123.04406	0.2
123.08041	1.6
124.01584	0.5
125.02338	26.2
125.05968	3.3
126.02654	0.6
136.05177	0.7
136.98755	0.2
137.02350	0.5
137.06038	0.3
139.00250	0.6
139.03856	0.4
140.01028	0.6
141.01862	0.3
141.09120	0.6
147.08023	0.6
149.02371	0.9
151.00291	2.2
151.03856	0.2
152.00983	0.4
161.02316	0.3
165.01834	0.3
165.09125	20.4
166.09441	0.7
167.03401	0.5
167.07086	0.5
168.00583	1.3
169.01343	24.9
170.01688	0.7
175.00330	0.3
179.03432	0.3
191.07039	1.0
193.01294	0.3
209.08136	50.2
210.08498	1.9
211.02426	5.3
215.07088	0.3
223.02428	0.2
223.09770	0.5
233.08142	5.1
234.08571	0.2
241.03435	1.0
251.09169	1.1
263.09189	0.3
271.04605	2.9
275.09253	0.4
276.23587	0.2
285.07916	0.2
313.05649	14.4
314.06046	0.7
371.13400	0.3
406.34195	0.3
439.08572	1.0
523.14557	100.0
524.14899	8.4
524.21698	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1047.6267
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95623	3.0
79.96024	0.5
80.02550	1.5
81.03298	1.1
83.01263	1.6
83.04909	3.8
85.02828	1.1
87.00768	0.8
89.02306	2.6
95.04906	1.7
96.95889	1.0
97.02854	1.1
97.06460	1.8
101.02319	2.9
106.40393	0.5
106.79000	0.5
109.06499	0.7
113.02345	1.5
116.92721	2.9
119.03412	0.6
123.04436	2.2
123.08060	0.5
125.02368	2.3
125.05962	0.9
125.09608	2.8
133.02834	0.6
134.03673	0.5
135.08058	1.4
137.09618	2.0
141.12743	0.7
143.03421	0.6
149.05991	0.8
161.04492	1.2
163.11195	5.5
165.12820	2.4
169.01340	1.0
171.10173	2.0
173.16425	0.5
177.01871	0.9
179.14256	0.7
181.12277	1.4
185.11729	1.7
191.10699	1.9
191.14365	2.0
195.13850	6.3
205.12282	0.7
207.10202	2.0
209.11774	100.0
210.12143	2.8
211.13319	2.2
216.48796	0.5
217.15704	0.6
223.13341	4.9
225.11293	1.5
227.12833	12.6
231.21187	0.6
235.08154	2.8
245.19112	3.7
253.09274	19.3
254.09714	0.6
256.13037	0.6
271.17236	0.9
275.20172	7.8
276.20486	0.6
289.14819	0.6
289.18088	10.6
291.19711	1.5
293.21228	91.8
294.21609	4.2
307.19150	8.9
341.23318	0.7
445.20724	2.7
485.32858	1.3
503.34094	0.6
527.10095	0.5
529.30035	2.1
531.81335	0.5
705.36755	0.5
1047.51721	1.9
1048.52783	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.199
Annotation	Unknow
Peak:m/z	Relative Intensity
75.39992	1.0
76.06303	0.8
81.03338	2.3
83.01260	4.2
89.03841	1.4
93.03325	5.1
97.02808	1.9
102.86720	1.2
105.03328	1.9
107.04932	3.3
109.02838	14.6
119.04922	1.6
121.02847	8.2
123.00798	2.5
123.04385	6.7
124.01536	1.7
125.02334	100.0
126.02695	2.4
131.04942	4.2
133.02832	7.4
135.04407	4.4
137.02347	18.4
138.03061	1.3
139.03893	1.7
143.04866	1.7
145.02824	4.2
147.00774	3.6
147.04398	1.3
148.01569	1.2
149.02318	13.1
149.05977	1.4
151.00346	1.0
151.03900	15.1
157.02907	1.6
159.04393	5.0
159.07899	1.0
161.02333	11.4
161.05949	3.7
162.03069	1.6
163.00333	5.1
163.03851	5.0
164.01074	6.0
164.23096	1.0
165.01845	9.3
167.03429	3.9
169.01337	7.0
171.04425	1.6
173.02318	1.6
174.03113	1.4
175.00313	3.6
175.03926	25.7
176.01105	2.5
177.01845	91.3
177.05183	2.0
178.02264	2.7
179.03441	2.7
183.04454	2.0
185.06049	1.7
187.03946	7.0
188.04755	1.2
189.01813	5.5
190.02528	1.9
191.03406	6.1
193.01355	2.3
193.05029	1.7
197.70992	1.2
198.03189	1.2
199.03944	13.5
201.01840	2.7
201.05492	2.7
203.03415	3.1
203.07085	3.2
205.01344	1.9
205.04999	3.6
211.03946	3.7
213.05534	3.8
214.02531	1.6
215.03435	2.1
217.01578	1.9
217.05008	12.6
219.02914	9.8
219.06451	1.2
225.05521	3.2
227.03511	5.8
228.04123	1.9
229.01321	1.8
229.04990	3.7
231.02934	3.4
239.03349	1.8
240.07309	1.1
241.05145	1.8
242.02187	1.1
243.02960	53.0
244.03215	2.3
245.04428	3.8
245.08134	5.0
251.03627	1.2
253.05032	1.6
255.02950	17.4
256.03638	7.4
257.04538	4.1
259.06094	2.1
261.04037	20.3
267.03094	2.4
269.04541	7.2
270.05115	1.2
271.06113	4.6
273.04053	2.1
279.02975	1.6
281.04584	4.7
282.01602	2.4
283.02481	6.1
283.05536	1.2
285.04022	6.5
287.05615	4.9
289.07187	23.1
290.07513	1.6
293.04565	2.7
295.02551	2.5
297.04068	5.0
299.05496	1.1
301.03613	1.6
303.05090	19.5
305.06894	3.0
309.03845	1.4
315.05042	1.7
327.05173	1.8
335.05649	1.3
337.03326	1.2
339.08734	1.4
341.06689	1.4
346.04684	1.5
347.05768	1.0
367.82318	1.0
373.03500	3.1
374.04321	1.7
375.04419	1.1
383.07727	1.6
389.06482	3.5
391.04309	1.5
405.06149	2.8
407.07712	43.0
408.08163	2.2
411.07175	1.8
421.05615	4.2
423.07220	12.3
425.08691	1.7
429.08322	6.8
436.51764	1.0
439.06805	3.7
441.08121	8.9
449.08795	4.5
457.07898	1.8
463.07281	1.1
465.08670	1.4
467.09842	10.1
481.08224	1.6
493.06949	1.0
499.43408	1.0
517.11621	1.3
525.08270	7.9
526.09961	1.1
541.07611	3.4
543.09143	2.5
557.11066	1.3
559.08789	10.5
575.11597	3.6
577.09772	5.8
585.10547	2.3
591.11737	1.1
593.13525	4.8
601.10101	1.5
607.10168	2.0
619.10535	8.6
677.09503	7.1
693.12567	3.7
695.10223	6.4
711.13641	9.3
713.10797	1.3
727.13477	3.1
729.14075	1.7
745.14154	16.4
753.15240	1.6
817.25818	1.1
845.12750	1.2
863.14417	13.6
864.14899	1.8
881.15631	2.6
923.17657	2.4
942.51819	1.1
1049.19153	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	1047.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
75.63940	1.7
81.03337	3.5
83.01271	5.4
90.80412	2.1
93.03339	3.2
95.01276	3.4
97.02871	2.7
98.38882	1.8
107.01277	2.7
109.02837	23.7
119.01269	2.9
120.93204	1.7
121.02848	12.1
123.00756	3.3
123.04436	7.1
125.02349	94.2
126.02647	1.7
133.02850	6.1
135.04387	5.0
137.02345	35.3
139.03918	3.2
145.02835	6.0
147.00806	12.6
147.04453	2.9
148.01553	2.5
149.02361	23.9
150.03186	2.3
151.03922	13.1
159.04448	5.7
161.02309	9.0
161.06003	7.3
162.21286	1.9
163.00301	30.9
163.03944	4.9
164.01056	8.0
165.01839	7.7
167.03423	7.9
169.01315	18.6
173.06091	1.9
175.00281	26.3
175.03900	13.9
176.01048	6.6
177.01866	95.5
179.03410	6.2
183.04491	3.1
185.02225	2.4
185.06111	2.8
187.03993	14.0
188.04584	2.1
189.01837	6.8
189.05460	4.0
190.02684	5.2
191.03439	20.6
193.01337	2.4
199.03957	7.4
201.01852	10.1
201.05544	5.8
202.02589	1.7
202.99815	3.4
203.03380	5.1
203.07088	7.0
204.04170	1.8
205.01338	3.2
205.05003	7.4
211.04001	8.4
213.01945	2.5
213.05481	4.3
214.02592	2.9
215.03441	10.8
217.01395	5.1
217.04984	6.2
219.02925	3.9
225.05489	3.6
227.03571	9.3
227.07127	1.9
228.04181	4.7
229.01321	2.7
229.05042	6.3
231.02971	5.3
233.04517	5.1
239.03384	3.0
241.04982	2.1
243.02965	25.8
244.03484	1.9
245.00905	1.9
245.04420	4.2
245.08208	12.1
251.03484	2.7
251.06694	1.9
253.04832	3.5
255.02992	23.5
256.03650	7.1
257.04471	10.7
259.02478	2.5
261.04044	7.4
267.02936	6.2
269.04575	5.5
271.02863	3.0
271.06113	17.6
272.03104	2.6
273.03979	5.6
279.02927	2.5
281.04559	7.8
283.02475	11.8
284.03223	2.9
285.03897	8.6
287.02136	3.8
287.05493	3.7
288.02774	7.3
289.07202	78.7
290.07620	3.2
293.04443	2.6
297.03955	6.4
299.01959	3.7
299.05557	3.0
300.02866	3.4
301.03513	62.5
302.03818	2.7
303.05133	7.9
309.03781	2.5
311.05609	2.1
315.05252	6.5
323.05588	5.2
325.03522	3.3
327.05112	3.4
341.06729	4.1
375.05109	3.2
383.07782	4.3
389.06650	5.3
391.04678	5.2
403.04340	3.5
407.07761	66.6
408.08148	2.2
409.05762	2.4
419.03946	3.1
423.07208	3.4
427.06677	100.0
428.07123	3.9
431.03436	3.1
441.08310	17.8
449.09003	8.7
463.06323	2.4
467.10172	28.5
468.09982	2.4
479.06381	2.9
481.08115	2.5
522.23560	2.0
525.08173	4.0
557.07178	9.1
559.09015	10.1
560.09552	2.1
563.08356	3.8
565.07782	3.9
571.08759	6.1
573.10150	2.2
575.07446	10.0
577.09619	10.3
583.08545	11.0
589.10040	4.7
591.11591	3.2
593.12671	2.2
603.08417	2.7
605.09320	7.2
607.11230	9.3
619.10907	15.1
691.11176	13.0
692.11859	2.6
709.12000	71.6
710.12225	9.6
725.11621	5.8
727.13098	9.2
735.10284	5.1
745.13989	8.1
861.12872	23.7
862.13422	3.0
879.14026	13.3
880.15204	2.4
895.17395	4.1
1047.18103	5.3
1048.16907	2.3
1064.78076	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	1047.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
74.28247	1.2
81.03303	1.5
83.01250	4.3
93.03320	3.1
95.01250	2.9
98.32204	1.1
107.01247	1.9
107.04880	1.6
109.02834	15.0
119.01212	2.9
119.04909	1.3
121.02887	5.9
123.00711	2.6
123.04438	6.7
124.01543	2.6
125.02344	83.3
126.02661	2.5
133.02824	5.1
135.00763	2.8
135.04382	3.7
137.02345	17.4
139.03885	1.8
145.02834	4.8
146.03629	1.3
147.00790	12.4
147.04410	1.7
149.02361	10.5
149.06033	1.2
150.03090	1.4
151.00244	2.5
151.03925	10.2
153.01796	1.9
155.04993	1.6
159.04364	6.8
161.02345	11.8
161.05978	2.3
163.00281	24.9
163.03920	3.8
164.01038	4.4
165.01855	8.5
166.02594	2.2
167.03432	3.1
168.00426	1.2
169.01367	12.7
171.04512	1.8
173.02316	1.9
174.03128	1.3
175.00288	28.6
175.03876	10.2
176.01048	5.9
177.01860	61.7
177.05310	1.7
178.02354	2.1
179.03380	1.7
183.04439	1.9
185.02386	1.9
185.05946	1.7
187.03941	11.6
188.04625	2.0
189.01839	3.0
189.05505	1.7
190.02539	1.5
191.03453	17.1
193.01334	2.8
199.03981	7.8
201.01830	4.0
201.05446	1.5
202.99715	2.7
203.03374	3.7
203.07074	2.7
205.01283	1.4
205.04959	2.0
211.03902	5.8
212.04538	1.8
213.01750	1.3
213.05562	4.7
214.02666	3.8
215.03429	10.3
216.03821	1.6
217.01434	6.5
217.04980	5.2
219.02878	2.9
225.05490	2.3
227.03436	10.0
227.07289	1.5
228.04271	2.6
229.01529	1.8
229.05006	10.1
230.02103	1.6
231.02905	3.8
233.04510	3.9
237.05508	2.1
239.03374	2.9
240.04308	1.8
241.04982	1.8
242.02161	2.0
243.02924	24.0
244.03375	2.0
245.04399	3.0
245.08209	3.3
253.04985	2.4
255.02983	33.0
255.06102	2.2
255.06638	2.1
256.03693	8.7
257.04434	9.7
259.02420	2.3
261.03970	12.8
265.05090	1.5
267.02945	1.8
268.03818	1.7
269.04614	6.3
270.05023	2.0
271.02505	3.3
271.06110	4.5
272.03171	2.0
273.04074	5.5
275.07068	1.4
277.05054	1.8
279.02896	1.6
280.03738	2.0
281.04593	8.5
282.01697	4.1
282.04880	1.7
283.02444	8.2
283.05203	1.3
284.03128	2.9
285.03961	8.3
287.02243	1.3
287.05527	2.5
288.02811	2.5
289.07254	11.7
293.04538	3.4
295.02457	5.2
295.05600	1.6
296.02972	2.8
297.04041	5.1
297.07263	1.2
299.01883	4.2
299.05145	1.5
300.02734	5.5
301.03543	43.0
302.04102	2.2
303.05026	10.1
305.04349	2.6
306.05228	1.4
307.05988	1.4
309.03989	3.3
310.04895	1.3
313.03445	3.9
316.02161	1.4
317.04532	1.7
321.07660	2.6
323.05472	5.7
325.03525	5.2
327.04990	2.2
331.06158	1.5
333.04181	1.9
335.05688	2.3
339.08719	1.8
346.04926	1.9
347.05368	1.7
359.05612	2.3
361.03265	1.6
363.08801	2.4
374.04037	2.1
375.04895	3.3
376.05618	1.7
381.09882	2.0
387.04990	2.4
388.05573	1.8
389.06583	8.4
391.04214	3.0
403.04428	3.0
405.06296	1.9
406.03558	1.7
407.07742	39.8
408.08087	1.9
411.06781	1.6
419.04047	2.2
423.07159	1.8
427.06519	4.2
428.06158	1.6
429.06183	1.6
431.03839	2.1
439.06732	21.6
440.06894	2.3
441.07907	2.6
445.05560	1.9
446.06085	1.8
447.07562	5.8
449.08963	1.6
452.07544	1.9
453.08099	2.4
459.06976	2.3
465.08170	5.5
481.08350	1.8
499.10468	3.9
507.07123	2.4
525.08203	13.9
531.09576	1.5
534.81610	1.3
539.10010	1.5
555.09235	5.6
557.07104	34.4
558.07794	4.6
559.08801	2.4
565.07733	3.5
570.07733	2.0
571.08453	2.2
573.10468	14.9
575.08246	18.9
576.08807	2.3
583.08618	14.4
591.11365	29.0
592.11401	3.2
605.09644	3.0
607.11127	2.8
615.08124	1.8
617.09381	3.1
665.13031	3.5
673.09723	3.6
683.13605	3.0
691.10913	18.6
692.10889	3.9
695.10248	2.4
709.11987	100.0
710.12268	13.2
722.09869	1.7
723.09369	2.1
724.11243	1.9
727.12952	7.1
735.09735	2.0
743.12463	16.4
744.12537	2.2
751.13031	2.2
769.14532	2.7
791.90973	1.5
861.13422	15.8
862.14148	2.8
879.14075	8.2
895.16241	2.5
921.16144	1.8
1047.18335	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	1047.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
77.63908	1.6
83.01269	5.1
83.85049	1.5
93.03323	2.7
95.01270	3.4
95.04926	2.8
105.03349	3.7
109.02843	16.4
114.32836	1.7
117.44932	1.6
119.01291	2.6
119.04893	1.8
121.02854	5.7
123.00744	5.1
123.04407	2.3
124.01566	3.7
125.02339	100.0
126.02755	2.6
131.04840	2.2
133.02858	5.6
135.00746	1.9
135.04488	1.8
137.02344	26.5
138.03145	1.9
139.03915	7.1
145.02872	2.5
147.00781	16.0
149.02348	14.3
151.03946	7.3
151.13155	1.7
159.04436	5.3
161.02350	23.9
162.02875	2.0
163.00284	32.1
163.03952	5.1
164.01137	8.9
165.01854	17.1
166.02699	2.0
167.03435	8.6
169.01369	11.5
169.02702	2.6
173.02368	3.0
173.06013	2.6
175.00302	34.2
175.03886	14.6
176.00993	5.9
177.01859	56.1
177.05472	3.3
178.02258	3.2
179.03383	4.2
183.04410	2.4
185.02425	1.9
185.06117	3.3
187.02411	1.8
187.03960	8.4
189.01909	6.2
189.05511	2.8
190.02611	3.9
191.03447	23.2
193.01338	5.7
199.03949	11.2
201.01808	10.6
201.05554	4.9
202.99745	2.5
203.03438	4.8
205.01408	3.8
211.03958	5.1
213.02034	1.9
213.05498	4.6
215.03430	14.1
216.04089	2.3
217.01404	5.8
217.05000	5.5
219.02905	4.8
219.06529	3.2
221.04515	2.0
225.05400	3.4
227.03439	9.5
228.04054	3.0
229.01460	10.2
229.05009	8.9
231.03009	2.6
233.04526	7.3
233.61046	1.9
239.03450	3.5
239.07167	2.2
241.05037	3.1
243.02946	32.5
244.03476	3.0
245.04536	9.7
251.03568	4.0
253.04982	2.8
255.02988	25.5
256.03668	6.2
257.04446	11.4
259.02524	2.9
259.06055	3.4
261.04059	6.8
267.02966	5.7
268.03793	2.7
269.04593	10.7
271.02408	2.9
272.03220	2.4
273.04065	5.9
279.03058	2.9
280.03818	2.7
281.04541	4.7
282.01581	4.5
283.02466	13.3
285.03955	9.8
287.05521	10.3
288.02777	2.8
289.03394	2.3
289.07217	2.1
295.02490	4.5
297.04028	6.8
299.02338	3.1
299.05487	3.8
300.02847	4.5
301.03546	59.7
301.06940	3.6
302.03943	4.3
305.06830	14.4
307.06006	2.1
309.03998	2.6
313.03491	3.3
319.04538	3.7
321.03992	2.7
323.05588	6.3
325.03568	5.5
331.06168	2.1
335.05597	4.2
342.03818	2.1
343.04721	3.2
347.05948	2.5
351.05328	2.0
374.04105	2.3
375.05026	2.5
379.08228	2.1
391.04550	4.6
403.04593	5.9
405.06039	4.1
407.07602	7.1
411.07309	2.3
419.04004	3.0
421.05554	2.0
423.07321	16.4
427.06628	26.1
431.03818	2.9
433.05615	2.8
439.06647	23.4
440.06680	2.2
450.05927	2.4
451.06918	2.7
463.06644	7.8
465.07953	2.5
467.10095	3.0
468.07455	2.1
469.07751	4.0
481.07806	6.1
509.73230	2.0
525.08276	2.5
541.07825	3.9
545.08026	2.5
557.07159	12.4
563.08685	2.6
571.08478	8.1
575.08258	10.4
583.09070	2.2
585.10236	2.1
587.08649	2.1
589.09918	38.2
590.09772	4.5
591.11639	2.8
599.08313	6.0
607.10950	71.0
608.11108	5.6
649.12366	3.8
691.10455	2.6
693.12372	2.2
707.10315	12.2
709.11682	8.3
725.11432	51.6
726.11877	7.4
727.11749	2.3
743.11908	2.8
751.12268	3.4
759.12482	9.6
769.13403	10.4
877.14771	5.9
895.17188	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	1047.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03314	2.0
83.01254	2.8
95.32420	1.9
97.02783	1.7
98.19779	2.1
107.04833	1.8
109.02841	13.3
119.01298	1.8
121.02805	4.2
123.00762	2.9
123.04402	3.0
124.01548	2.9
125.02348	100.0
126.02682	4.1
133.02815	6.2
135.00745	4.1
135.04402	2.3
137.02344	22.4
138.03130	2.3
139.03867	3.4
147.00739	14.1
149.02364	13.5
151.03842	7.8
159.04411	3.3
161.02361	25.2
163.00294	27.0
163.03992	3.6
164.01067	8.3
165.01881	11.4
166.02397	1.7
167.03381	7.2
169.01320	11.8
171.04405	2.3
173.02338	2.3
173.06033	2.3
174.09999	1.7
175.00290	34.5
175.03856	11.5
176.01012	5.7
177.01865	50.3
177.05417	3.4
178.02234	2.4
179.03514	4.2
183.04408	3.0
185.02505	1.7
185.05830	1.8
187.03925	7.1
189.01825	4.4
189.05493	2.6
190.02605	4.6
191.03452	26.2
193.01370	2.5
199.03941	7.4
201.01901	8.1
201.05449	4.2
202.99870	2.6
203.03439	4.9
204.04248	2.0
205.01349	5.1
209.06046	2.0
211.03976	5.0
212.00232	1.9
213.05411	3.8
214.02599	2.9
215.03423	13.5
217.01331	7.0
217.04991	9.2
218.02025	2.1
219.02911	7.5
219.06432	2.0
225.05504	2.9
227.03452	7.6
229.01334	9.9
229.04976	4.9
230.02200	2.4
231.02934	3.5
233.04434	5.6
236.27844	2.1
237.05374	2.5
239.03395	5.4
241.04988	4.7
243.02988	27.6
244.03433	2.4
245.01036	2.1
245.04472	7.1
255.02980	16.0
256.03622	2.5
257.04507	10.8
259.02466	2.8
259.06079	2.9
261.04077	4.7
265.05185	1.9
267.02957	6.2
269.04462	9.3
271.02521	5.8
271.05905	1.7
272.03116	2.3
273.03897	2.6
281.04623	3.7
282.01755	5.4
283.02521	10.2
284.02795	2.9
285.04108	13.1
287.02344	3.9
287.05539	15.7
288.02853	2.8
289.07126	2.4
295.02423	4.3
297.04059	4.5
299.01999	3.6
299.05475	3.9
300.02710	5.5
301.03506	60.8
302.03964	5.4
303.05029	2.3
305.06775	11.2
309.04120	2.9
311.02084	4.3
311.05383	2.6
313.03546	4.2
319.04633	1.9
323.05627	6.5
325.03586	5.0
337.03387	2.9
343.04620	4.5
351.05118	2.1
361.03397	2.3
373.03180	2.4
375.04929	2.7
391.04471	4.2
393.06082	2.4
397.05475	2.6
403.04541	3.7
405.06039	4.0
407.07516	5.0
419.03830	17.5
423.07339	8.9
427.06784	21.6
428.07294	1.9
431.03870	2.6
433.05505	2.4
437.05029	8.3
439.06760	12.9
445.05731	3.5
447.06244	2.0
451.06732	3.7
463.06717	17.5
465.08456	2.7
468.06601	3.0
469.07782	5.5
481.07706	10.4
487.06390	2.0
541.07886	2.5
545.07117	3.0
553.07654	2.6
557.07367	15.4
571.09045	11.6
575.08307	3.7
589.09888	40.7
590.10156	3.0
591.11218	2.6
607.11017	78.7
608.10938	8.5
615.65540	1.9
689.09149	6.3
707.10620	13.6
708.10614	2.1
709.11603	7.4
715.13116	2.3
724.99103	3.5
725.11456	50.4
726.11938	6.5
727.12970	8.9
743.12646	3.1
759.12811	8.2
769.13995	5.9
877.13629	12.4
878.13458	2.6
894.49030	2.1
895.17108	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	1043.5435
Annotation	Unknow
Peak:m/z	Relative Intensity
72.68179	0.2
72.99183	1.4
73.02821	3.9
75.00751	5.4
83.01251	1.8
83.04868	0.2
84.02045	0.2
85.02824	13.9
85.99968	1.4
86.03133	0.2
87.00755	5.8
87.04395	1.5
89.02316	3.3
91.36275	0.2
95.01268	3.2
97.02837	0.3
98.20637	0.5
99.00760	10.0
101.02327	5.8
103.03879	1.2
111.00745	0.4
112.01537	0.7
113.02333	10.3
115.00242	0.4
115.03905	1.7
119.03406	1.1
125.02301	0.6
127.03870	0.3
131.03395	3.4
135.21289	0.2
139.00310	1.0
143.03410	3.3
145.04964	0.6
157.01331	1.1
161.04420	0.3
163.06056	1.2
205.07124	1.9
225.34233	0.2
230.15450	0.2
247.08279	0.4
279.55585	0.2
359.26898	0.2
391.30029	0.3
395.29370	0.2
407.29102	0.3
407.33868	0.3
419.27356	0.2
455.35352	0.2
457.37222	0.4
524.76697	0.2
525.91553	0.2
559.39960	0.3
699.42206	0.4
717.41455	1.0
967.52740	0.9
981.54907	1.0
1025.53296	2.4
1043.54321	100.0
1044.54639	18.1
1045.53638	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.5804
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99184	4.3
79.83753	3.9
80.54123	3.4
85.02833	5.1
87.00780	7.1
89.02325	13.6
101.02332	13.7
111.08064	8.0
113.02325	12.2
115.00232	4.8
119.03382	7.4
121.02807	3.5
125.02322	17.9
142.99773	8.7
161.04448	5.2
169.01323	4.3
173.00911	4.8
175.02432	9.0
179.05437	8.9
195.13811	9.4
197.11783	23.9
209.04466	4.8
209.11832	5.8
211.13316	24.6
223.13373	5.7
235.07991	4.8
277.21890	19.9
291.19562	19.6
293.21219	100.0
295.22849	4.7
309.20734	70.2
379.12515	5.6
397.13461	55.4
398.13828	5.2
399.07883	4.1
415.14578	28.1
545.94849	4.6
585.41504	6.3
707.35278	5.2
745.30389	4.1
806.79120	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	1047.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
78.88261	1.4
83.01254	4.1
90.04494	1.4
95.01299	2.0
97.02848	3.0
105.03338	2.5
107.04929	1.5
109.02837	14.1
119.01336	1.7
119.04885	3.1
121.02879	3.7
123.00777	5.3
123.04369	2.5
124.01549	3.1
125.02335	100.0
126.02713	1.8
131.04910	3.3
133.02863	6.8
135.00777	3.1
135.04395	2.1
137.02348	25.4
139.03900	4.8
143.04955	1.9
144.08153	1.7
145.02888	2.8
146.03714	1.6
147.00769	7.7
147.04399	2.6
149.02390	10.2
149.03380	1.5
151.03903	10.6
159.04428	5.2
161.02347	36.6
162.03079	1.6
162.17929	1.7
163.00279	27.0
163.03952	3.3
164.01096	8.5
165.01855	9.9
166.02686	2.3
167.03427	7.7
169.01349	11.1
171.04430	2.8
172.05208	1.6
174.03134	1.6
175.00296	18.9
175.03896	15.8
176.01065	3.3
176.04774	2.2
177.01859	30.6
177.05505	4.9
178.02306	2.8
179.03416	2.7
183.04434	2.6
187.03955	4.9
189.01790	3.9
190.02657	3.0
191.03476	11.2
192.91054	1.5
193.01404	3.6
199.03992	8.7
200.04411	1.5
200.74612	1.3
201.01849	10.4
201.05516	5.3
202.02632	1.4
202.99835	1.8
203.03406	4.8
205.01448	2.3
205.04994	2.6
211.00630	1.5
211.03952	3.4
213.05591	3.7
214.02734	2.4
215.03439	10.8
215.06660	1.5
216.04193	2.1
217.01436	3.4
217.05017	10.0
219.02951	4.8
219.06699	4.0
221.04527	3.3
225.05699	3.8
227.03444	9.9
228.03990	2.1
229.01373	5.3
229.05029	4.9
231.02977	2.0
233.04443	4.3
241.04842	2.9
243.02946	23.5
245.04532	9.5
249.05536	2.0
251.03522	2.2
253.04982	3.0
255.03008	12.8
256.03702	2.9
257.04446	7.3
261.03976	2.8
267.03018	3.9
269.04538	11.4
271.02502	4.5
271.06116	1.8
272.03210	1.7
273.04077	3.2
279.03021	1.8
281.04514	3.2
283.02557	12.2
285.04169	8.2
286.04736	1.5
287.02316	2.9
287.05557	23.1
288.02539	2.9
289.07324	4.6
293.04520	2.9
295.02603	3.7
295.05951	2.7
296.03296	1.7
296.54422	1.5
297.04019	8.2
299.02072	3.5
299.05609	5.4
300.02682	2.3
301.03525	47.8
302.03830	1.6
305.06705	26.5
309.04080	3.3
319.04794	2.5
323.05554	5.5
325.03494	4.1
343.04285	2.0
363.05246	2.2
365.06610	2.4
375.05209	2.1
391.04672	4.5
405.06039	4.7
407.07889	3.5
409.05579	3.4
411.07278	3.2
421.05563	2.0
423.07202	26.8
424.07584	2.4
427.06696	47.0
428.06787	3.2
439.06461	2.9
449.09030	9.0
451.06805	2.8
457.07782	5.4
463.06693	6.7
465.08292	1.7
467.10028	18.4
469.07446	2.1
541.08264	2.9
545.07367	2.9
547.09027	7.8
557.07574	4.2
571.08685	2.5
575.09296	5.9
581.07043	1.8
586.07251	2.6
589.10046	13.7
591.11481	1.9
593.12238	3.3
599.08405	6.4
607.10663	5.4
619.11212	5.0
654.26404	1.9
707.10809	7.6
709.11853	3.9
725.11395	33.1
726.11414	3.0
727.13409	2.9
731.73279	2.0
743.12872	5.2
745.13885	2.6
751.12793	2.3
877.15210	6.2
895.15552	5.5
1047.17065	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	1043.5435
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99181	1.4
73.02816	4.8
75.00745	6.7
83.01266	2.1
85.02824	15.6
85.99967	0.9
86.03214	0.4
87.00758	5.5
87.04381	1.1
89.02316	3.5
95.01270	3.5
97.02904	0.5
98.20393	1.7
99.00757	12.1
99.04447	0.4
101.02328	6.6
103.03891	1.5
111.00776	0.6
112.01531	1.0
113.02332	10.2
115.03907	1.2
116.92727	0.5
119.03401	0.8
125.02334	1.1
131.03387	3.9
135.09354	0.4
139.00249	1.3
143.03406	3.2
145.04967	0.6
157.01349	1.1
162.01308	0.5
163.06061	0.9
163.78117	0.4
205.07208	2.1
223.68906	0.4
238.40138	0.5
247.08261	0.5
391.30017	0.6
407.33490	0.6
632.00293	0.6
717.41882	1.2
756.93427	0.7
817.49475	0.5
949.25476	0.5
967.52661	1.3
981.54285	1.2
1025.53149	1.9
1043.54297	100.0
1044.54578	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	1043.225
Annotation	Unknow
Peak:m/z	Relative Intensity
78.41411	1.5
83.01247	1.8
93.03325	1.4
98.20515	3.5
103.38746	1.7
107.04900	1.8
109.02837	6.9
109.61057	1.6
117.03310	2.5
121.02865	4.3
125.02336	100.0
126.02605	2.5
133.02791	5.7
137.02330	14.4
139.03941	2.8
145.02773	2.6
147.04358	2.3
149.02359	7.7
149.05862	1.8
151.03880	10.6
151.78015	1.7
159.04414	2.4
161.02359	23.5
163.00240	3.5
163.03882	4.5
164.01018	4.8
165.01817	5.8
167.03438	3.7
171.12561	1.5
175.00204	2.9
175.03931	17.7
176.01064	1.9
177.01855	73.0
177.05466	2.1
178.02368	2.8
179.03453	2.3
187.03879	3.2
189.01802	3.0
191.03371	3.2
193.04950	3.6
196.75829	1.4
199.03868	5.5
201.01817	3.3
201.05470	1.6
203.03436	4.7
211.03844	1.6
215.03479	2.3
217.01431	1.9
217.05042	15.3
219.02972	7.5
219.06410	1.4
225.05537	2.0
227.03479	2.8
229.01341	3.1
229.04939	2.8
241.04897	1.9
243.02966	33.1
245.04503	5.5
255.02972	8.9
256.03616	2.7
257.04694	2.5
261.03964	13.5
267.03061	1.9
269.04633	8.4
271.05917	1.9
273.03894	1.9
274.39365	1.9
281.04361	3.5
283.02405	5.1
285.03952	2.9
287.05673	15.1
289.07120	3.8
295.02158	1.8
295.05396	1.7
297.04077	3.5
301.03351	3.4
303.05142	12.8
305.06689	6.9
387.05115	2.3
389.06720	2.5
391.04663	2.3
400.80536	1.9
405.06009	7.0
407.07825	9.9
413.08701	3.0
423.07214	25.6
424.07721	2.0
449.08374	2.3
451.10208	2.3
465.08359	6.1
467.09305	2.5
483.09064	1.9
541.07660	6.7
543.09149	2.4
549.09741	2.0
559.08893	3.5
566.99689	1.7
575.11609	5.0
585.10553	2.8
587.11835	3.8
591.11414	9.2
609.12500	2.0
689.13293	2.2
693.12408	3.5
705.12152	1.8
709.12482	3.2
711.13397	6.6
755.15833	2.0
857.16223	2.7
872.38110	1.9
881.81201	2.2
886.02899	1.8
931.18311	1.9
952.33777	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	1043.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03349	1.1
83.01262	3.0
83.04894	0.6
93.03333	3.3
95.01264	0.9
95.04919	0.8
95.52805	0.5
96.95906	0.9
97.02841	1.1
105.03345	1.5
107.04905	2.8
107.77216	0.5
109.02833	9.2
117.03359	1.6
119.04944	1.9
121.02840	8.7
123.00736	1.0
123.04418	4.7
124.01608	1.0
125.02337	83.0
126.02650	1.3
131.04924	2.4
133.02853	4.4
134.03610	1.2
135.04405	2.4
135.29138	0.6
137.02344	14.0
139.03899	1.4
143.04933	1.1
145.02869	4.7
146.03644	1.2
147.00766	1.8
147.04404	1.7
149.02345	11.1
149.05994	0.9
151.03922	12.7
155.04953	1.1
159.04434	2.4
161.02406	4.4
161.05994	2.5
163.00272	3.4
163.03935	3.8
164.01064	3.6
165.01825	5.6
166.02635	0.9
167.03435	1.7
169.01295	1.2
173.02316	0.8
173.06004	1.4
175.00282	2.4
175.02490	1.3
175.03928	17.9
176.01016	1.5
177.01849	100.0
178.02303	2.9
179.03445	1.9
185.02412	0.7
185.05995	2.3
187.03932	4.6
188.04675	1.0
189.01813	2.2
189.05457	0.9
190.02612	1.0
191.03430	4.8
193.04976	4.8
197.06065	0.8
199.03925	9.7
201.01901	2.6
201.05542	1.4
202.06212	0.7
202.99548	0.7
203.03384	1.8
203.07129	3.0
205.04959	2.0
211.03908	2.7
213.02036	0.7
213.05434	1.3
215.03442	1.9
217.01360	1.6
217.04985	9.0
218.05350	0.8
219.02940	10.0
225.05563	1.4
227.03523	3.4
227.07166	1.1
228.04141	0.8
229.01379	1.0
229.05003	3.0
231.02998	1.7
235.06090	1.2
241.05034	0.8
243.02953	44.9
244.03300	2.4
245.04543	1.2
245.08133	3.9
251.03568	1.0
251.07101	0.6
253.05162	1.8
253.08760	0.8
255.02974	9.0
256.03659	3.9
257.04584	2.1
259.06024	1.4
261.04001	17.8
262.04398	1.0
267.03012	1.2
269.04651	3.4
271.06119	4.3
273.03943	2.3
281.04568	4.1
282.01730	1.5
283.02502	2.5
284.02771	0.8
285.04092	4.1
287.05655	0.9
289.07184	17.2
290.07410	0.9
293.04520	1.9
295.02423	2.5
297.04315	1.3
297.07465	1.2
301.03571	2.1
302.03824	0.7
303.05081	24.4
304.05481	1.3
305.03946	0.9
305.07010	1.0
315.05109	2.1
315.08643	0.9
321.08298	0.7
323.05511	1.4
335.05548	0.9
337.07632	0.8
339.08856	1.4
341.06534	1.5
347.05594	1.2
361.03558	1.3
363.08731	0.7
365.06961	1.2
373.03525	1.9
383.07681	1.4
389.06662	1.7
391.04544	2.2
395.08066	0.9
397.05646	0.9
407.07733	24.3
408.08105	1.8
409.05743	0.8
411.06931	1.1
421.05542	3.2
423.07333	1.9
425.08868	2.8
429.08136	5.9
435.11160	2.9
439.06787	2.5
441.08063	0.9
449.08673	2.9
467.09692	5.9
481.07700	4.2
525.08325	3.7
543.09210	2.3
553.11298	4.1
559.08905	1.8
571.12378	8.2
572.12628	1.0
575.12048	2.3
577.10040	1.1
585.10382	1.5
593.12994	4.3
607.10773	2.3
613.13727	4.3
663.14148	0.9
671.12201	2.4
689.13055	11.0
690.13757	1.6
693.12152	3.9
707.13727	3.2
711.13507	6.9
729.15564	0.9
739.16760	6.1
740.16650	1.2
749.14874	2.1
771.15454	0.8
857.17334	11.4
858.17340	2.5
875.18164	2.9
876.18298	1.0
917.19476	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1039.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99160	0.1
73.02816	0.1
75.00739	0.4
78.95762	0.2
79.95608	6.8
82.33385	0.1
83.01271	0.1
85.02821	0.7
87.00747	0.2
87.04422	0.1
88.63126	0.1
89.02324	0.2
95.01261	0.1
95.97479	0.1
96.95889	100.0
97.95835	0.2
98.20602	0.2
99.00771	0.6
101.02321	0.4
108.66470	0.1
113.02314	0.5
118.96477	0.1
131.03374	0.2
143.03418	0.3
156.98038	0.1
163.05974	0.1
168.98088	0.1
205.07057	0.2
230.05466	0.1
273.84598	0.1
402.32031	0.1
653.33685	0.2
697.32996	0.2
727.59534	0.1
941.51074	5.4
942.51544	0.9
979.45886	1.8
980.47095	0.3
1039.48608	0.8
1040.49585	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	1041.565
Annotation	Unknow
Peak:m/z	Relative Intensity
74.01676	2.8
74.08666	2.4
81.03326	3.8
83.01250	3.3
87.00759	6.7
89.02319	12.2
89.75150	2.6
97.02827	5.3
101.02335	10.5
113.02345	7.1
125.02327	10.1
125.09595	3.4
137.02405	3.4
163.11224	3.4
167.03438	4.2
179.05496	4.8
185.11740	4.7
191.14282	3.8
195.13794	7.8
195.47702	2.6
209.11758	10.0
223.13426	6.7
245.19107	12.6
275.20233	3.3
286.02618	3.3
289.18100	44.6
293.21231	100.0
294.21570	6.6
307.19153	35.6
397.13501	27.0
415.14383	17.3
687.32050	3.7
909.39813	3.5
981.54364	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	1037.5322
Annotation	Unknow
Peak:m/z	Relative Intensity
72.04355	0.4
72.99172	1.9
73.02817	5.1
75.00747	9.6
78.95789	0.6
83.01264	2.3
85.02822	15.7
85.99961	2.2
87.00748	9.9
87.04391	2.3
87.46886	0.5
89.02308	3.7
95.01273	2.7
97.02841	3.6
99.00757	10.7
101.02309	3.2
103.03890	1.8
112.01517	0.7
113.01619	0.8
113.02334	10.0
115.00252	0.6
115.03919	2.1
116.92796	0.4
119.03349	0.8
125.02337	5.9
131.03391	8.4
139.00266	0.7
143.03397	5.1
145.05003	0.7
157.01321	0.9
163.06032	1.1
205.07147	2.8
243.02419	0.5
420.64496	0.4
442.04483	0.4
741.42664	0.9
849.50415	0.5
1019.51404	1.0
1037.53235	100.0
1038.53467	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	1037.5325
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99184	1.5
73.02817	4.0
75.00745	10.1
81.03313	0.2
83.01261	2.3
84.02043	0.5
85.02822	20.8
85.99971	1.7
86.03165	0.4
87.00751	7.0
87.04380	2.0
89.02311	2.6
89.02826	0.2
95.01265	3.4
96.95889	0.3
97.02827	4.1
99.00755	11.3
99.04371	0.3
101.02324	2.6
103.03871	1.0
111.00783	0.5
112.01535	1.0
113.02328	13.7
114.02686	0.2
115.00275	0.5
115.03885	2.0
119.03414	0.4
125.02337	6.9
127.03960	0.2
129.01839	0.2
131.03392	5.4
139.00290	0.8
142.02643	0.2
143.03398	4.1
145.05008	0.8
157.01364	0.9
163.05998	0.9
205.07104	2.2
230.44818	0.2
234.75952	0.1
247.08200	0.4
397.16440	0.1
563.37073	0.2
583.40106	0.5
741.42761	0.4
764.46497	0.2
849.50378	0.2
911.89581	0.2
937.51984	0.3
1019.52106	1.4
1020.50598	0.2
1037.53247	100.0
1038.53455	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	1039.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
80.35072	0.2
83.01254	0.9
91.01739	0.3
91.63942	0.2
93.03304	0.4
107.01262	2.9
108.02039	0.7
109.02837	1.9
119.01259	0.4
121.02827	2.6
124.01492	0.3
125.02319	0.7
126.21143	0.2
135.00758	0.8
137.02301	0.3
145.02795	0.2
147.04384	0.3
148.01540	0.8
149.02379	0.4
151.00262	11.4
152.00615	0.3
153.01826	0.4
159.04399	0.5
163.00273	2.8
163.03850	0.2
164.00983	0.7
167.04956	0.2
169.01355	1.3
173.06180	0.2
174.03166	0.2
175.03918	0.8
177.01797	0.3
178.98192	0.3
178.99777	5.5
183.02982	0.2
183.04428	0.7
185.06056	0.2
187.03873	0.7
190.06334	0.3
190.99771	0.3
192.00598	0.5
198.03117	0.3
199.03906	0.8
201.05495	0.6
203.03511	0.3
211.03889	1.1
213.01866	0.2
213.23907	0.2
215.03471	0.4
216.04170	0.6
222.05229	0.3
226.02660	1.1
227.03438	2.3
228.03993	0.4
229.04918	1.1
229.41542	0.2
239.03459	0.5
243.02960	7.5
244.03450	0.6
245.04477	1.8
254.02216	1.5
255.02957	20.8
256.03448	1.3
257.04520	0.3
263.06970	0.4
267.06494	0.2
269.08200	0.7
271.02457	42.8
272.02921	2.8
273.04010	1.4
279.06711	0.5
281.08130	1.1
283.02478	1.7
283.09567	0.2
294.08957	0.5
296.10410	0.2
297.07645	2.6
297.10992	0.3
299.02023	0.9
300.02722	71.1
301.03485	60.5
302.03833	3.0
308.10666	0.4
309.07663	4.0
309.11310	1.3
310.08185	0.3
311.09326	0.2
312.10013	2.6
323.09271	1.1
324.09924	2.7
325.10349	0.4
327.12363	13.1
328.12747	0.7
339.12335	12.0
340.12662	0.7
357.13568	0.2
433.07706	100.0
434.08026	5.7
627.00726	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1035.6629
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99195	0.7
73.02821	2.4
80.02527	0.6
81.03358	0.8
83.01257	0.7
83.04893	3.4
85.02824	1.1
87.00755	1.3
89.02312	2.8
98.20570	1.5
99.00805	1.0
99.92460	11.5
99.93076	1.0
100.92520	0.5
101.02323	3.9
113.02325	2.9
116.92748	68.1
116.97171	0.6
117.01788	2.9
117.92764	3.9
119.03394	0.8
125.02292	0.6
125.09606	1.9
125.15197	0.5
127.11202	2.0
133.02829	1.5
135.04425	0.6
137.02318	0.9
143.03342	0.6
155.10710	1.1
161.04485	1.9
163.11180	2.9
165.09128	0.6
165.12740	1.7
169.01402	0.7
171.10158	1.6
177.01843	0.7
178.02565	0.6
179.05544	1.0
183.01160	1.3
185.11809	1.4
187.03935	0.6
191.10751	0.7
197.11781	0.7
201.11252	38.3
202.11589	0.9
209.11772	87.2
210.12074	3.0
211.13367	0.7
220.14758	0.7
225.11301	0.7
227.12842	11.1
230.01071	0.7
235.08218	8.4
253.09283	13.4
277.21722	100.0
278.22095	6.2
293.17981	1.2
293.21234	11.0
294.21561	1.0
311.16745	2.8
312.86438	0.6
314.72644	0.6
327.16110	0.7
419.19174	1.7
437.20132	2.8
443.31403	0.9
445.20691	3.9
461.32809	1.4
463.21747	0.7
513.30609	3.9
697.41266	1.2
903.47021	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03328	3.7
83.01275	1.5
85.02826	0.7
89.02367	0.8
93.03342	0.8
99.08026	0.6
107.01266	1.7
107.35730	0.5
109.02859	0.7
121.02789	0.5
123.08067	1.8
124.01719	0.5
125.01453	0.5
125.02354	8.1
125.05984	3.1
127.33067	0.5
132.02095	0.8
135.00800	0.7
136.05167	0.5
147.08025	0.5
149.02388	1.5
149.06075	0.5
151.00298	2.5
152.01041	0.6
153.01791	0.5
158.03625	0.6
159.04399	0.7
163.00278	1.5
163.03850	0.5
164.01015	0.6
165.01784	0.6
165.09134	16.5
166.09395	1.0
167.03418	0.9
168.00606	0.6
169.01314	1.4
175.03952	0.5
177.01895	0.7
183.04492	0.9
185.06035	0.9
187.03928	1.5
191.03490	0.6
191.07045	1.7
199.04012	0.7
209.08141	75.7
210.08562	2.3
211.03920	2.0
215.03369	0.5
227.03461	22.8
228.03886	1.5
229.05043	5.9
233.08208	2.5
239.03429	0.9
241.05014	0.9
243.02893	0.7
255.02966	53.2
256.03528	4.3
257.04593	3.2
267.02536	0.6
271.02399	1.0
283.02475	0.8
284.03268	79.5
285.04013	47.4
286.04388	1.7
300.02713	0.7
301.03555	1.8
320.43634	0.5
429.08249	1.9
439.12247	0.5
489.10385	100.0
490.10712	6.2
503.17734	48.7
504.18176	3.0
757.58594	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1035.5171
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99175	1.6
73.02828	4.0
75.00756	5.6
78.95775	0.6
83.01263	2.6
85.02820	11.8
85.99970	1.2
87.00745	5.1
87.04388	1.0
89.02309	1.9
92.80397	0.8
95.01250	2.5
95.86376	0.6
97.02837	5.0
98.20412	2.2
99.00755	13.1
101.02341	1.6
103.03893	1.5
111.42063	0.7
113.02335	10.6
125.02331	9.3
131.03360	3.7
139.00220	0.9
143.03397	2.7
157.01344	0.9
168.17744	0.7
205.07185	1.7
255.46318	0.7
372.47147	0.7
415.64764	0.7
421.54919	0.7
440.55222	0.7
701.43311	0.9
874.88599	0.8
875.05695	1.0
1017.49786	1.2
1035.51758	100.0
1036.52087	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	1035.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
93.03333	5.0
95.01246	1.2
108.02052	1.4
109.02823	3.5
121.02836	7.9
122.03625	17.3
123.00740	2.7
123.04412	1.8
123.36325	1.2
125.02348	1.2
133.02834	1.7
136.01593	6.8
137.02345	13.8
138.03062	2.1
147.04446	2.0
149.01210	2.1
149.02351	31.5
149.03551	1.8
149.05954	1.8
150.03127	100.0
151.00258	7.6
151.03941	11.7
152.01006	1.9
152.04654	2.1
153.05397	1.3
159.04510	1.4
161.02371	2.3
162.03117	2.4
163.03812	1.1
164.04672	6.2
165.01854	28.1
165.05479	92.6
166.02621	19.1
166.05801	2.5
167.03369	1.9
175.03903	2.2
177.01854	3.3
177.05466	3.6
177.06981	1.1
179.03444	7.0
179.07001	5.3
180.04195	22.0
181.04993	22.6
184.03667	1.1
187.03922	1.9
193.04918	2.5
194.05785	1.9
195.06560	82.6
196.06857	1.7
205.04945	4.5
207.06543	1.7
209.08165	1.4
210.05252	1.9
216.33792	1.2
219.06622	1.4
220.07272	2.7
225.07620	17.5
309.60001	1.2
327.21619	1.8
343.11697	1.8
373.12915	10.8
387.10477	1.8
387.14490	3.8
402.13284	3.1
403.13858	6.1
416.14346	1.3
417.15546	19.8
418.16034	1.4
421.14859	7.3
477.10443	1.2
478.87891	1.2
535.17242	1.7
550.18494	1.1
565.20703	30.2
566.20880	2.1
595.21906	14.9
599.20917	1.9
603.49988	1.3
613.22809	12.0
643.23755	2.3
743.27374	3.6
773.28156	3.0
791.28973	3.8
821.30792	1.9
839.30853	3.0
969.34802	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	1035.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
83.52747	1.1
84.46484	1.2
93.03335	5.2
93.40379	1.2
95.01273	1.7
95.04873	1.5
108.02012	1.9
109.02834	4.0
120.51704	1.2
121.02870	9.7
122.03652	15.2
123.00770	4.1
123.04404	1.5
123.53117	1.4
124.01511	1.9
125.02325	1.7
133.02800	3.5
134.03601	1.5
135.04462	1.6
136.01564	9.2
137.02361	15.1
138.03096	3.1
146.03618	2.2
149.01218	2.8
149.02351	36.0
149.05934	2.2
150.03134	100.0
151.00282	10.7
151.03934	13.9
152.01018	2.9
152.04684	2.4
161.02341	2.6
162.03101	3.2
164.04707	8.7
165.01839	23.7
165.05486	94.2
166.02611	22.4
167.03362	3.6
168.04147	3.2
175.03889	3.8
176.01100	2.6
177.01862	1.8
177.05473	4.1
178.02562	2.3
179.03435	7.1
179.06935	6.7
180.04214	20.2
181.04997	32.2
187.03940	2.2
191.03447	1.5
192.04166	2.3
193.04970	3.1
194.05762	2.8
195.06557	65.6
204.04163	1.6
205.05067	7.6
207.06618	4.7
220.07343	3.4
225.07683	13.0
275.07288	1.4
343.11752	3.2
372.12015	1.7
373.12930	29.6
387.10651	4.5
387.14639	3.7
402.13071	1.9
403.13925	11.0
417.15460	23.7
421.14990	17.9
469.43109	1.3
535.15955	2.8
550.18140	1.9
565.12329	2.4
565.20801	43.5
566.21057	3.2
595.21826	22.7
613.22766	14.5
653.21765	1.6
729.09485	1.4
743.27203	4.4
773.28418	2.2
785.07257	1.7
791.28558	2.9
839.30066	2.0
937.71484	1.5
969.35260	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	1033.6466
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04898	0.4
85.02827	0.4
85.96124	0.3
89.02325	0.8
91.02593	0.3
95.01224	0.3
96.95892	0.5
97.02839	0.3
97.06511	0.4
101.02319	0.9
111.08063	1.5
113.02320	0.6
119.03362	0.5
120.27991	0.4
120.96780	0.3
125.02344	1.3
141.09090	0.4
161.04410	0.4
165.12753	0.5
167.10568	0.4
169.12250	0.4
171.10136	0.4
177.12698	0.5
179.14320	1.1
181.12268	0.5
182.56822	0.4
183.13808	2.0
185.11668	0.4
188.45345	0.3
191.16498	0.3
193.12305	0.6
195.13841	8.6
196.14502	0.6
197.11775	5.2
199.13330	1.2
205.12312	1.0
205.15845	0.7
209.11795	4.3
210.12088	0.5
211.13344	28.5
212.13672	1.2
223.13361	6.2
224.13811	0.4
227.12852	2.8
228.13593	1.0
231.21112	0.4
235.08202	2.4
253.09309	4.0
256.13162	1.8
265.21823	0.4
273.18750	0.4
275.20190	5.6
276.20526	0.4
291.19653	3.9
292.20023	0.4
293.21231	100.0
294.21552	5.4
309.20746	11.7
310.21036	0.6
397.13483	0.3
447.22150	2.4
527.28741	0.7
545.29987	0.6
739.42847	1.5
740.42969	0.3
920.77313	0.4
1033.51880	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1033.6452
Annotation	Unknow
Peak:m/z	Relative Intensity
78.18554	0.7
83.04890	3.4
85.02835	0.8
87.00784	0.9
89.02319	1.9
94.64246	0.8
96.95902	2.2
99.12289	0.7
101.02336	3.5
101.23074	0.7
113.02306	1.7
119.03420	1.0
119.51919	0.8
121.10133	11.9
121.92457	0.7
125.02343	2.7
125.09583	1.3
127.11113	1.1
132.52736	0.8
142.14526	0.8
161.04538	1.4
161.05937	1.1
163.11182	3.5
165.12785	1.9
169.01346	1.8
171.10187	28.7
172.10484	1.7
177.01825	0.9
183.13795	1.7
185.11749	2.6
191.10757	0.8
193.12265	1.0
195.13806	2.4
197.11786	2.1
199.13316	3.7
207.10257	1.8
209.11777	68.6
210.12082	3.4
211.13341	26.5
223.13304	2.4
225.11266	3.6
226.11580	1.0
227.12828	15.6
228.13161	1.0
231.21179	3.4
235.08182	5.8
253.09288	13.7
265.21506	0.9
275.20154	51.3
276.20493	4.8
287.05524	0.8
291.19595	9.7
292.19974	1.7
293.21231	100.0
294.21567	7.8
309.20737	14.9
341.23294	0.8
342.23727	1.1
445.21045	5.2
447.22375	1.9
450.35608	0.9
462.20642	1.3
463.21393	1.3
527.21136	0.9
527.28436	0.9
529.30273	1.7
572.55737	0.9
664.60254	0.8
737.40448	1.0
738.41388	2.9
739.42914	5.3
772.90881	0.9
773.13684	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.631
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99159	0.5
80.02545	0.6
81.03352	1.2
83.01272	0.7
83.04900	2.7
85.02819	1.5
87.00745	1.1
89.02309	2.5
95.04898	1.0
96.95883	2.3
100.24522	0.5
101.02371	2.4
111.07999	0.7
113.02319	1.9
116.92740	0.7
119.03322	0.6
121.53653	0.6
125.02348	3.3
141.71974	0.5
143.03413	0.6
148.50851	0.6
161.04486	1.5
163.11200	3.3
165.12781	7.7
167.12152	0.5
169.01328	0.8
171.10175	1.5
177.01939	1.0
179.05501	0.9
179.14328	0.9
181.12183	0.6
195.13843	7.2
201.11208	0.6
205.12259	1.1
205.16069	0.5
209.11780	95.8
210.12149	3.3
211.13364	2.0
217.78288	0.6
223.13342	4.7
227.12845	13.1
228.13455	1.1
235.08141	2.8
245.96783	0.5
247.20709	3.0
253.09280	20.5
254.09865	0.7
273.18573	1.2
275.20206	7.4
276.20517	0.7
289.07153	0.6
291.16330	0.7
291.19644	13.6
292.19916	0.9
293.21240	100.0
294.21619	6.8
306.07605	0.8
307.19342	0.6
341.23315	1.5
342.23682	1.2
350.51651	0.5
368.19818	0.4
397.13626	0.6
445.20761	2.5
485.32932	0.7
492.21860	0.6
502.89285	0.5
529.30322	2.5
663.86407	0.6
670.36017	0.5
976.89954	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.505
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57709	0.5
72.99169	0.7
73.02825	1.4
75.00761	2.3
78.95779	0.5
83.01261	0.9
85.02834	4.9
87.00751	1.9
88.98679	100.0
89.02312	1.7
89.99004	0.9
95.01273	1.3
96.95898	1.0
99.00763	2.4
101.02341	2.6
113.02332	3.9
115.03903	0.7
116.15909	0.4
116.92737	2.3
131.03403	1.6
136.00386	0.5
143.03415	1.4
162.36130	0.5
163.06068	0.8
163.35039	0.5
173.88168	0.4
205.07169	0.6
585.65973	0.6
704.05652	0.5
753.59070	0.5
874.56573	0.5
911.53033	0.5
941.51166	54.5
942.51508	11.7
943.32153	0.6
943.52075	1.3
1031.43188	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.5797
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58832	0.9
72.99220	1.3
73.02829	2.2
80.14406	0.8
83.01281	1.6
83.04913	1.1
84.02065	1.6
85.02834	3.4
87.00734	2.1
89.02320	7.9
96.95876	8.1
97.02837	4.7
97.06470	4.8
99.00793	1.2
99.04436	0.9
101.02337	8.4
109.02791	1.0
111.08067	4.9
113.02330	3.8
116.92728	4.8
119.03397	2.5
125.02356	7.5
125.09616	1.9
125.90946	0.8
126.02644	0.9
137.02342	0.9
137.09633	1.6
140.81557	0.8
143.03418	1.0
145.06149	0.9
161.04413	1.4
163.11182	1.3
165.06935	0.9
165.12798	1.1
169.01382	2.0
169.12242	1.7
171.10165	12.6
177.01810	1.3
179.05545	3.7
193.12251	8.1
197.11771	20.7
199.13387	1.1
211.13329	5.9
221.06689	1.5
221.11914	1.3
225.14888	12.6
227.12862	1.4
235.08141	2.4
243.15971	6.0
247.20512	1.0
263.20078	1.3
291.19650	12.1
294.53500	0.8
309.20706	53.5
310.20981	2.0
341.23312	100.0
342.23529	4.8
397.13504	23.9
398.14038	1.1
415.14597	18.3
627.62030	0.9
633.43616	4.4
689.33838	1.9
707.35138	2.4
721.36322	1.6
739.37738	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	1031.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03335	3.6
83.01244	5.3
93.03334	4.2
97.02845	3.0
98.20545	6.8
105.03362	2.5
108.02073	4.0
109.02837	20.4
117.22853	1.8
119.04946	2.3
121.02821	14.2
123.04397	7.7
124.01534	1.8
125.02345	86.8
126.02666	4.1
130.45334	1.9
131.04869	2.0
133.02814	6.5
135.04410	5.3
137.02354	24.5
139.03903	2.8
145.02875	4.5
146.03610	3.0
147.00774	7.0
147.04419	4.5
149.02362	31.0
151.00235	2.2
151.03947	11.8
152.84830	1.7
159.04398	7.1
161.02342	8.0
161.05998	6.1
162.03220	2.1
163.00262	21.3
163.03905	6.1
164.01074	6.1
165.01828	8.2
167.03416	3.1
169.01350	18.2
171.04417	3.5
174.03142	2.9
175.00281	10.1
175.03876	13.2
176.01059	5.4
177.01859	79.0
178.02225	2.9
179.03433	3.6
185.05971	5.4
186.06607	2.2
187.03999	11.2
188.04694	3.1
189.01846	4.2
189.05374	4.8
190.02603	2.3
191.03432	7.9
199.03981	7.1
201.01836	5.2
201.05562	6.4
203.03453	3.7
203.07069	9.2
205.04974	7.0
211.03879	5.3
212.04759	2.1
212.07343	2.1
213.05492	3.2
215.03401	9.3
217.04968	7.6
219.02837	4.8
227.03435	4.9
228.04126	3.4
229.04971	6.3
229.78259	2.6
231.03003	2.3
241.05045	6.5
243.02983	20.5
244.03503	2.4
245.04472	4.8
245.08147	10.6
253.05077	3.3
255.02936	22.1
256.03680	4.7
257.04504	9.4
261.03976	3.5
267.03006	3.9
269.04535	6.0
271.06125	11.9
273.04214	2.2
281.04547	6.2
282.01688	2.3
283.02554	4.8
283.05975	2.6
284.03610	2.2
285.04044	44.5
288.02942	2.0
289.07205	71.8
290.07352	3.9
291.75223	2.1
295.02191	2.8
297.04044	3.4
301.03574	13.5
303.05051	5.6
311.05511	3.1
315.04965	3.2
363.08450	2.2
372.84366	2.1
373.03610	2.2
375.05023	2.7
387.05188	2.2
389.06796	3.3
391.05124	1.9
405.05801	2.2
407.07724	38.4
408.08072	3.4
411.07227	100.0
412.07513	6.6
419.03708	2.1
421.05908	2.1
441.08212	12.6
449.08566	7.5
451.06454	2.1
463.06882	4.0
467.09833	26.4
479.07880	3.8
525.08429	4.7
541.07678	5.4
547.09143	2.7
557.07379	3.5
559.08911	8.4
567.09229	4.1
573.10626	3.3
577.09772	3.8
589.09686	3.4
591.11267	9.0
619.11133	13.8
675.11084	7.1
691.10883	2.5
693.12488	63.5
694.13171	8.9
709.11816	9.0
711.13751	4.8
727.13153	3.6
745.14075	4.2
845.13678	14.9
846.15033	2.6
863.15125	8.3
879.17145	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	1031.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03323	3.1
83.01244	7.1
93.03311	3.9
95.01257	3.5
95.04937	2.0
97.02840	3.8
98.20505	2.8
107.01276	2.6
107.04891	2.1
109.02844	26.5
117.03329	2.1
119.04928	2.8
121.02865	6.2
123.00746	3.7
123.04417	8.9
124.01557	2.1
125.02342	100.0
126.02668	2.6
133.02814	8.5
135.00771	3.2
135.04414	4.2
137.02341	31.2
139.03917	4.2
145.02840	6.2
147.00743	12.2
147.04404	3.8
148.01538	2.4
149.02327	15.3
150.02982	1.8
151.03918	14.5
159.04404	9.4
161.02370	32.5
161.05943	3.6
162.03210	2.0
163.00267	26.2
163.03900	6.2
164.01051	10.8
165.01855	8.7
167.03429	2.8
168.99937	2.6
169.01335	20.1
173.05988	3.0
174.03140	3.9
175.00298	24.8
175.03920	19.2
176.01001	8.0
177.01852	33.5
179.03433	5.3
183.04495	3.9
185.05954	3.6
187.03909	12.3
188.04597	3.6
189.01852	5.9
189.05449	2.7
190.02737	2.9
191.03445	17.0
193.01320	6.7
199.03967	10.9
201.01826	7.4
201.05498	6.2
202.02583	3.1
202.99840	3.3
203.03450	6.1
203.07060	7.5
205.01422	2.6
205.04974	8.5
211.03947	7.1
212.04652	2.7
213.05534	3.6
214.02788	2.3
215.03485	10.2
217.01340	4.8
217.05026	4.0
219.02960	4.7
221.08253	2.0
224.04424	1.9
225.05560	3.7
227.03424	8.3
227.07025	2.5
229.05066	7.0
231.02940	4.1
233.04425	4.9
237.05588	2.9
239.03520	3.4
241.04985	3.6
243.02965	25.0
244.03477	2.9
245.04442	8.5
245.08211	11.1
246.01581	2.5
253.05013	4.5
255.02950	22.7
256.03604	7.5
257.04532	9.4
259.02487	3.3
261.04025	3.0
267.02939	3.9
269.04456	7.6
270.04980	3.4
271.02676	3.9
271.06110	12.5
272.03354	2.6
273.04071	5.4
279.03046	2.2
280.03629	2.5
281.04510	6.3
282.01697	3.3
283.02509	12.2
284.03214	4.2
285.04050	11.0
287.02246	4.2
287.05594	10.9
288.02689	3.9
289.07169	60.0
290.07599	3.0
293.04370	3.1
295.02313	3.6
297.03897	4.4
299.02396	3.4
299.05655	7.0
300.02841	3.9
301.03528	58.9
302.03842	3.3
303.05072	3.1
309.03870	2.9
310.04703	2.8
313.03757	2.2
323.05640	6.9
325.03479	4.4
339.08734	2.5
363.04996	2.6
375.04865	2.6
389.06540	3.9
391.04224	2.5
407.07764	48.7
408.08435	3.1
409.05518	6.3
411.07141	7.7
427.06644	51.1
428.06918	2.6
433.09152	6.1
441.08347	12.3
451.10706	31.2
452.10590	3.2
463.06863	7.6
467.09412	2.9
525.08014	3.6
547.08881	8.0
557.07623	3.6
559.09271	7.1
570.07788	2.8
571.09009	2.9
575.07996	4.5
577.10608	4.1
583.08899	6.8
589.09839	14.0
603.11511	14.1
691.11115	6.2
693.12592	4.2
709.12103	33.7
710.12598	5.5
727.13458	5.7
729.14655	8.1
735.10663	2.7
753.13269	2.6
861.12988	11.5
879.15186	5.8
905.16071	3.2
974.56744	2.1
1031.18994	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	1031.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
79.82568	1.4
81.03338	2.4
83.01273	6.2
89.03841	1.9
93.03355	2.9
95.01289	4.0
97.02841	3.5
107.01303	1.5
107.04923	1.5
109.02837	21.5
111.00810	1.8
114.58133	1.4
117.90577	1.4
121.02876	4.7
122.03657	1.6
123.00771	3.0
123.04395	11.8
124.01586	2.3
125.02344	100.0
126.02672	2.3
131.04962	2.7
133.02869	10.4
135.00732	2.0
135.04408	4.7
137.02347	28.9
139.03914	4.2
145.02863	5.9
146.03641	2.0
147.00790	9.8
149.02356	13.2
151.03900	13.9
153.01849	2.3
158.03795	1.5
159.04442	10.2
161.02347	28.7
161.06032	5.1
162.03172	3.0
163.00275	30.7
163.03906	5.3
164.01025	6.9
165.01894	8.2
167.03444	2.8
169.01364	21.1
171.04466	2.6
173.02354	1.5
173.05988	3.7
174.03084	3.2
175.00304	24.3
175.03915	14.9
176.01077	6.7
177.01849	30.9
179.03444	6.8
183.04460	3.8
185.02335	2.8
185.05974	4.1
187.03970	10.7
188.04582	2.5
189.01926	4.7
189.05507	1.8
190.02612	2.3
191.03430	14.6
193.01332	3.4
197.06055	2.6
199.03893	10.3
200.04407	1.9
201.01793	8.5
201.05522	5.2
202.99756	3.8
203.03494	4.1
203.07103	9.1
205.01445	3.3
205.05048	7.7
209.06042	1.8
211.03967	4.1
213.05508	3.6
215.03473	11.0
216.04137	1.7
217.01434	5.2
217.05035	6.8
219.02957	5.6
225.05544	2.6
227.03481	6.1
227.07185	4.7
228.04236	1.8
229.04999	5.4
231.02946	3.7
231.06244	1.6
233.04491	5.0
239.03387	3.5
241.04973	3.2
243.02979	23.6
244.03545	3.3
245.00920	1.8
245.04581	13.1
245.08154	11.3
253.05099	5.8
255.03011	17.8
256.03760	6.9
257.04535	12.5
259.02554	3.2
259.06195	2.5
261.04083	3.1
267.03094	4.5
267.06696	1.9
269.04568	5.5
271.02554	4.2
271.06149	14.2
273.04138	4.3
279.02921	2.6
281.04553	8.5
282.01736	2.9
282.05014	1.8
283.02542	12.0
283.05811	2.5
284.03268	2.7
285.04059	13.6
287.02472	3.6
287.05630	14.7
288.02698	5.1
289.03983	2.3
289.07187	63.0
290.07489	3.8
293.04715	1.9
295.02368	2.6
297.03839	3.3
299.02075	5.0
299.05618	9.3
300.02759	3.7
301.03537	67.7
302.03915	3.8
303.05121	4.1
307.02432	1.8
309.03708	1.8
311.05551	1.9
319.04907	1.4
323.05484	7.0
325.03592	5.6
326.04089	1.6
339.08713	2.0
341.06784	1.7
365.06738	2.9
373.03333	2.9
375.05109	1.8
383.07922	2.1
389.06741	5.5
391.04568	4.0
403.04703	1.7
405.06302	3.3
407.07758	53.7
408.08118	4.9
409.05386	8.3
411.07135	4.8
427.06689	59.4
428.07101	5.6
433.09576	9.3
441.08234	13.4
442.08902	1.6
445.05823	1.9
450.05765	2.8
451.10559	39.9
452.10791	2.1
463.06812	9.9
525.08478	3.1
547.09192	8.9
548.09753	1.9
557.07166	4.6
559.08057	7.3
565.07764	2.0
571.08704	7.8
575.08350	5.5
577.11047	4.8
577.83984	1.6
583.08813	7.7
589.10040	17.6
590.09912	2.4
603.11523	16.7
619.10638	1.9
691.10077	7.6
709.12061	43.7
710.12122	5.4
727.13489	7.1
729.14459	11.3
735.11407	3.7
843.12628	2.3
861.13367	13.8
862.14276	2.2
879.15460	7.8
905.15887	3.6
1031.19080	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	1031.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
71.60066	1.9
81.03336	3.1
83.01264	7.7
89.03854	1.6
93.03324	3.2
95.01268	4.2
95.04900	1.4
97.02831	1.9
99.66248	0.9
105.03315	1.2
107.01263	3.5
108.02045	1.6
109.02843	24.7
113.02335	1.4
117.03343	2.5
119.01287	2.9
119.04955	1.9
121.02856	8.5
122.03619	1.5
123.00768	3.7
123.04396	11.4
124.01534	2.0
124.53302	0.9
125.02340	100.0
126.02648	3.0
131.04924	3.0
133.02856	10.2
134.38731	1.1
135.00763	4.7
135.04417	9.8
137.02341	30.6
139.03928	2.3
143.04964	1.6
145.02844	10.1
146.03632	1.2
147.00790	23.5
147.04405	3.0
148.01564	3.8
149.02361	14.4
150.03073	2.6
151.00294	3.1
151.03914	12.9
155.04915	1.2
157.06471	1.6
158.03677	1.7
159.04422	10.4
161.02356	31.8
161.06024	5.4
162.03107	3.1
163.00282	46.0
163.03946	6.2
164.01042	10.6
165.01854	16.8
166.02211	1.0
166.99695	1.3
167.03427	2.4
169.01382	11.4
171.04460	2.7
173.02350	2.7
173.05949	1.9
174.03131	3.5
175.00287	52.8
175.03908	16.0
176.01059	7.6
176.04364	1.3
177.01851	50.4
177.05344	2.5
178.02185	1.3
178.99831	1.2
179.03459	2.2
183.04428	5.1
185.02383	3.0
185.05997	4.4
186.03233	1.2
187.03922	17.0
188.04561	1.7
189.01862	7.4
189.05486	1.9
190.02628	5.4
191.03436	32.1
193.01373	4.2
195.04507	1.9
197.06052	1.3
198.03227	1.4
199.03969	10.9
200.04768	1.7
201.01904	7.3
201.05521	7.5
202.02611	2.0
202.99783	2.8
203.03462	6.0
203.07080	6.8
204.00508	2.3
205.01361	5.2
205.04988	7.3
206.02089	1.2
209.06071	2.0
211.03961	9.0
212.04694	2.1
213.01857	3.7
213.05527	6.9
214.00658	1.0
214.02666	4.7
215.03439	15.9
217.01462	7.7
217.04959	6.3
217.06790	1.2
218.02104	1.1
219.02908	4.5
223.03918	1.9
224.04782	1.1
225.05423	4.9
226.02705	1.7
226.06137	1.1
227.03442	15.5
227.06924	2.2
228.04158	4.5
229.01344	1.8
229.04982	13.0
230.02191	1.7
230.05585	1.6
231.02934	5.1
231.06532	1.6
233.04459	6.8
237.05548	2.8
239.03499	5.0
240.04257	2.2
241.05005	4.9
242.02214	2.5
243.02986	27.4
243.06670	2.3
244.03387	2.3
245.00865	1.2
245.04495	13.3
245.08141	8.0
246.05074	1.4
247.02365	1.2
247.05971	1.7
249.05695	1.7
251.03372	1.8
251.07201	1.7
252.04175	1.7
253.05086	7.0
254.02185	1.8
255.02979	39.4
255.05942	2.2
255.06523	1.7
256.03674	11.9
257.04507	17.4
258.01596	1.4
259.02402	3.2
259.05914	1.7
261.04077	3.4
263.03424	2.0
263.07050	1.4
264.04230	2.7
265.05011	2.8
267.03067	6.0
268.03772	2.4
269.04568	11.6
270.05179	2.8
271.02487	3.7
271.06088	9.0
272.03281	2.1
273.03958	9.9
277.05048	2.2
278.05759	1.6
279.02921	3.3
280.03778	2.4
281.04514	9.3
282.01639	4.5
282.04846	1.8
283.02509	10.8
283.05814	2.2
284.03195	4.3
285.03918	8.7
287.01944	3.6
287.05649	6.6
288.02982	2.5
289.07251	22.0
293.04697	2.6
294.05231	1.4
295.02466	4.4
295.05634	1.9
296.03220	2.5
297.04086	6.0
297.07187	1.3
299.01947	7.2
299.05603	3.9
300.02759	11.3
301.03534	82.2
302.03662	5.3
303.05280	3.4
305.04214	1.7
306.05365	1.4
307.02655	1.5
307.06030	2.0
308.03189	2.9
309.04095	6.8
310.04880	1.4
311.02155	1.4
311.05600	2.1
312.02866	1.3
313.03491	7.4
315.06400	1.3
317.04581	2.3
317.07874	1.1
321.04141	2.3
321.07367	2.2
323.01895	1.6
323.05490	8.6
325.03519	6.2
327.04907	8.9
331.05945	1.7
333.03888	2.3
333.07635	1.6
334.04831	1.4
335.05615	3.1
336.06491	1.4
339.08762	2.7
343.05722	1.4
345.07709	1.4
346.04987	1.3
347.05548	4.2
348.06479	1.4
349.07077	2.1
355.05432	1.4
359.05392	1.8
360.06152	1.1
361.03287	2.4
361.07239	2.0
363.08807	2.5
365.06781	2.0
367.04370	1.3
374.04434	1.7
375.05118	2.5
379.08392	1.3
381.09650	1.7
383.05060	1.1
385.07104	1.2
387.05081	3.6
388.05795	1.9
389.06650	10.9
390.07382	1.5
391.04535	4.5
393.06198	1.3
399.04895	2.0
403.04434	4.8
404.05215	3.0
405.06274	2.4
405.97897	1.1
406.03162	1.7
407.07755	51.8
408.07898	3.8
419.03909	3.1
423.07288	1.2
427.06424	1.4
429.05920	1.6
431.03723	1.8
433.09579	1.4
434.06128	1.5
435.07272	3.0
439.06720	39.2
440.07089	2.7
441.08069	3.6
445.05640	2.4
446.06400	2.3
447.07306	11.8
449.08661	2.4
452.07306	2.5
453.07950	3.0
457.09531	1.7
459.07010	1.8
465.08188	13.9
477.06775	2.1
481.08661	2.1
487.10187	1.4
499.10410	4.4
507.07144	1.4
525.08252	14.4
526.08624	1.9
527.10132	1.3
539.09656	1.7
543.09167	2.5
545.11395	1.4
555.09351	11.9
557.07043	28.9
558.07837	1.7
559.09271	3.3
565.07709	4.8
569.10632	2.8
570.07776	2.6
571.09052	2.0
573.10370	25.7
574.10675	2.4
575.08307	15.5
576.09058	2.0
583.08844	10.8
584.09180	1.6
591.11450	67.8
592.11847	6.1
597.10486	1.7
601.09229	2.2
604.08978	1.4
605.09363	4.6
615.11597	2.4
617.09845	6.1
627.11639	2.5
633.12085	1.6
665.13000	2.3
673.10059	6.2
677.09979	2.0
683.14417	5.7
691.10968	18.4
692.11414	2.3
695.12701	5.0
707.10718	1.4
709.11981	84.8
710.12201	11.8
717.11340	1.2
727.13196	8.9
735.12213	5.5
743.12561	30.6
744.12543	3.3
753.14563	8.5
754.14490	1.4
843.13666	1.4
847.15521	1.8
861.13190	15.5
862.13385	2.4
879.14917	10.8
880.15619	1.5
905.13788	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
74.83112	2.1
83.01279	5.0
93.03341	5.2
97.02829	4.4
100.04379	1.8
105.03332	2.0
108.02060	2.3
109.02853	18.9
121.02843	12.0
123.00809	4.0
123.04395	7.7
124.01666	2.0
125.02351	80.4
125.43250	1.9
131.04926	2.4
133.02847	3.3
135.00775	2.3
135.04437	4.6
137.02356	22.7
139.03925	2.6
143.04968	2.5
145.02780	4.9
147.00751	6.4
147.04417	5.0
148.01575	2.4
149.02345	28.9
150.03159	2.4
151.03935	12.3
153.01883	2.2
155.61676	1.9
159.04419	5.6
161.02425	9.3
161.06000	5.6
163.00284	18.8
163.03937	3.1
164.01044	8.5
165.01872	5.5
167.03410	4.1
169.01337	16.2
173.02399	2.5
175.00294	8.4
175.03922	14.5
176.01105	6.1
177.01855	75.1
178.02249	2.5
179.03435	4.8
185.06032	3.2
187.03932	8.8
189.01857	5.0
189.05457	3.7
190.02588	2.8
191.03421	6.9
193.01314	3.6
199.03932	9.4
201.01741	3.5
201.05527	3.2
202.99879	2.2
203.03543	2.6
203.07062	6.9
205.05016	5.5
211.03941	4.8
213.05522	3.9
214.02629	2.2
215.03416	7.0
217.04987	7.9
219.02924	4.2
221.08252	2.1
227.03433	5.6
227.07060	2.2
229.05098	3.0
241.05083	2.5
243.02977	17.5
243.05212	2.5
245.04460	3.5
245.08168	10.6
253.05081	4.0
255.02950	17.1
256.03662	5.0
257.04456	7.1
261.04019	2.9
265.05008	2.3
267.03067	3.5
269.04572	7.0
271.02667	2.9
271.06107	12.0
281.04501	3.8
283.02466	5.8
285.04050	36.6
287.02066	2.6
287.05417	2.9
289.07220	62.9
290.07690	4.1
293.04758	3.2
295.02481	2.6
296.02924	3.2
297.04068	2.4
300.02567	2.7
301.03488	14.8
303.05154	5.9
307.06183	3.2
309.04004	4.8
311.05765	3.1
316.02237	2.7
323.56372	2.7
327.05249	2.4
345.04327	2.2
389.06775	3.8
407.07779	38.7
408.08072	3.9
411.07205	100.0
412.07617	6.0
439.06726	3.8
441.08344	13.4
449.09024	4.7
451.06747	2.8
467.09869	20.1
479.08176	4.4
525.08295	2.6
538.07709	2.1
541.07867	5.7
555.08441	2.3
559.08533	12.6
567.09381	5.1
573.09863	2.7
577.09973	5.6
589.10541	4.0
591.11157	6.3
619.10968	12.4
631.85852	2.1
675.11145	7.8
676.11926	2.7
683.12659	2.7
691.10980	2.7
693.12524	57.3
694.12793	7.5
709.11981	8.2
711.13129	5.7
727.12701	3.7
743.12756	3.9
744.13794	2.8
745.14813	2.6
845.13995	12.1
863.14636	6.9
879.17242	9.7
1031.18555	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	1027.5119
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	27.0
72.99184	3.1
73.02828	6.2
75.00347	1.3
75.00750	9.2
83.01241	3.1
85.02828	23.1
85.99964	1.9
87.00755	9.5
87.04379	3.4
89.02302	6.7
95.01240	3.3
97.02814	1.5
99.00749	14.6
101.02322	11.7
103.03887	2.6
113.01627	1.4
113.02335	15.8
115.03856	2.0
119.03360	2.6
125.02306	1.6
131.03409	5.4
139.00250	1.4
143.03435	6.3
157.01303	1.6
163.06007	2.5
205.07091	2.9
229.55681	1.1
464.86481	1.2
620.61151	1.2
621.86926	1.3
677.04724	1.3
965.50598	3.4
983.52216	100.0
984.52850	13.1
1027.51184	34.1
1027.68396	1.1
1028.51123	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	1027.6548
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	7.3
71.01651	0.3
72.99183	0.3
73.02816	3.2
81.03320	3.7
83.01261	1.3
83.04391	0.5
83.04897	8.7
85.02821	4.1
87.00764	0.4
89.02310	0.7
95.01243	0.7
97.02802	0.3
99.00752	1.7
100.07523	0.3
100.29683	0.2
101.02319	7.8
109.02835	0.2
113.02324	3.8
119.03376	0.3
121.02859	0.4
121.34438	0.2
125.02360	1.7
125.07040	0.4
137.02328	0.3
143.03419	0.3
143.08107	0.3
149.02370	0.5
150.03006	0.3
159.02832	0.7
161.02446	0.3
161.04443	3.4
164.04678	0.4
169.01335	0.4
170.59377	0.2
177.01903	0.3
207.14941	0.9
223.06149	0.3
224.17596	1.6
225.16023	9.6
226.16505	0.3
242.18629	0.4
243.02859	0.4
263.14987	13.6
264.15250	0.6
268.16293	0.3
275.10773	0.3
305.16043	6.5
306.16208	0.4
309.21857	0.7
324.26465	0.6
333.22812	0.6
341.29288	0.6
349.14713	0.6
349.18411	0.5
363.40985	0.2
367.26974	0.7
385.27930	0.4
433.31784	0.8
433.80588	0.2
450.34399	1.0
451.32898	6.2
536.57617	0.2
550.43713	1.2
559.40027	0.5
565.43945	0.3
593.43890	0.6
597.22229	0.3
615.22681	0.5
659.48413	1.6
677.49664	100.0
678.49988	15.6
679.50781	0.3
765.01788	0.3
821.28815	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.6529
Annotation	Unknow
Peak:m/z	Relative Intensity
78.81160	0.2
81.94467	0.2
83.01241	0.2
83.04908	0.3
83.39297	0.2
87.00774	0.2
89.02328	0.5
93.03317	0.2
97.06463	1.1
101.02327	0.7
109.06425	0.2
109.87222	0.2
113.02322	0.4
119.03407	0.2
121.10102	0.3
123.08041	0.6
125.02325	0.6
125.08740	0.2
125.09619	3.1
137.02365	0.4
141.12743	0.8
149.09621	1.7
161.04446	0.3
167.10710	0.7
167.14291	0.3
177.12701	0.2
179.03624	0.2
179.05614	0.3
179.10738	0.2
179.14304	0.4
185.11763	7.2
186.12039	0.3
195.13835	2.7
197.11746	2.0
205.12254	1.8
209.11766	0.4
211.13367	0.2
223.13351	22.6
224.13721	0.7
225.14972	0.2
228.13687	0.2
235.08235	1.3
249.22180	0.9
253.09271	3.9
275.20267	1.4
293.21228	100.0
294.21552	5.5
304.83212	0.2
338.66727	0.2
345.16589	0.2
397.13397	0.3
459.22385	4.2
460.22583	0.4
488.06564	0.2
499.33926	0.4
529.30084	1.0
535.16589	0.2
601.80023	0.2
617.28210	0.2
640.55054	0.2
735.43030	2.1
736.43988	0.3
979.51575	0.3
997.51428	0.3
1029.53259	0.6
1050.28174	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03313	3.0
83.01267	2.7
85.02837	13.4
89.03823	2.1
93.03313	3.0
95.01265	2.9
97.02821	3.0
98.20526	7.5
105.83471	1.8
107.01281	4.1
108.02080	3.6
109.02834	21.6
111.00789	8.2
117.03417	2.0
119.01286	3.8
119.04936	2.4
121.02838	6.8
123.00750	4.8
123.04427	10.0
124.01531	2.6
125.02343	100.0
129.01860	7.3
133.02846	4.9
135.00784	3.8
135.04414	7.0
137.02345	25.7
145.02841	6.5
147.00815	18.2
147.04434	2.8
148.01472	2.0
149.02321	12.4
150.02983	1.8
151.00247	9.7
151.03961	9.8
159.04431	6.8
160.01505	2.8
161.02364	29.8
161.05948	5.3
162.03152	2.8
163.00276	40.7
163.03886	6.8
164.01012	6.6
165.01834	14.0
169.01381	11.8
169.02673	2.1
171.04489	2.3
173.02327	2.9
175.00291	49.7
175.03908	15.6
176.01022	6.1
177.01857	38.7
179.03363	2.8
183.04453	5.4
185.02377	3.0
185.06010	3.3
186.03165	2.6
187.03949	6.5
188.04742	3.0
189.01830	6.7
190.02693	5.4
191.03404	28.5
199.03957	13.2
200.04420	2.2
201.01884	8.4
201.05528	5.5
202.99734	2.9
203.03384	3.8
203.07036	4.4
205.01640	2.0
205.03442	7.4
205.05109	4.5
209.02878	2.3
211.03961	8.2
212.04448	2.8
213.01927	3.6
213.05473	4.2
215.03473	18.4
216.04121	2.4
217.01320	10.0
217.04825	9.4
219.02960	6.3
223.04575	17.5
225.05515	3.7
227.03496	13.2
228.04178	2.2
229.01494	2.9
229.04993	6.3
231.02939	6.5
233.04497	5.9
239.03453	5.6
241.05032	5.0
242.02090	2.5
243.02953	45.0
243.06612	2.4
244.03607	4.3
245.04539	10.3
245.08229	4.4
251.03506	5.1
253.05089	5.3
254.02180	2.8
255.00549	3.6
255.03008	37.4
256.03571	10.2
257.04510	11.0
257.08145	4.4
259.02441	4.2
261.04080	2.6
265.05072	3.6
266.02289	2.8
267.02954	8.6
269.04581	7.5
271.02466	34.0
271.05917	7.2
272.02997	4.5
273.04010	6.8
279.06290	2.1
281.04517	5.5
282.01682	7.8
282.04947	2.8
283.02429	12.3
283.05539	3.1
285.03970	11.8
287.02374	3.2
287.05655	9.9
288.02844	3.6
289.07278	18.5
293.04663	2.1
295.02530	4.8
295.05759	2.9
296.03162	3.4
297.04077	5.4
299.02084	5.1
299.05551	3.1
300.02740	62.3
301.03506	85.7
302.03854	8.0
303.04770	2.1
305.04684	4.0
307.05881	1.9
309.04083	4.8
311.02045	3.8
313.03674	5.9
319.06223	2.8
323.05536	10.1
325.03549	5.2
327.05243	6.7
333.03369	2.3
341.06754	2.2
343.04675	2.7
347.05817	3.6
373.03458	5.9
375.05203	4.9
389.06631	3.6
391.04568	6.0
393.06113	3.6
403.04361	2.9
407.07825	18.7
408.07922	2.6
417.06149	4.4
419.04095	33.7
435.06961	2.4
437.05310	7.9
439.06866	18.3
441.07895	4.6
447.07254	14.9
452.07303	4.5
453.08026	6.1
463.06372	10.0
465.08328	22.6
481.07953	3.0
487.10538	2.6
489.08560	2.3
505.09946	64.8
506.10153	8.6
507.10583	3.0
522.05981	2.4
525.08051	4.4
555.09271	13.0
556.09198	2.8
557.07184	31.7
571.08899	2.2
573.10370	22.0
589.10388	9.5
591.11395	91.5
592.11725	8.6
601.09528	2.9
605.09851	4.8
617.09338	8.2
633.12683	4.8
673.09821	22.8
674.10382	3.1
691.10876	15.9
692.11469	4.5
709.11981	84.5
710.12476	8.0
727.13275	12.9
743.12067	20.7
753.15051	4.8
843.12219	8.0
861.13354	48.7
862.13208	7.4
869.30408	2.9
879.17548	8.2
1031.18579	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	1025.5687
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01259	27.0
74.62239	3.3
75.86761	3.4
85.02821	4.4
87.00765	10.8
89.02334	20.2
97.02850	6.2
97.06455	4.2
97.54251	3.8
99.91339	4.8
101.02310	19.3
108.13274	3.4
113.02322	11.5
116.92748	8.7
119.03402	7.0
123.08080	3.8
125.02338	10.6
130.30005	4.1
135.92517	3.3
140.38496	3.7
143.03287	4.2
158.00333	3.4
161.04469	5.1
163.11205	5.3
179.05510	4.6
185.11729	7.9
191.14351	7.3
207.10176	5.0
209.11777	11.4
235.08107	5.2
237.11345	5.6
245.19060	16.2
277.21732	100.0
287.07397	4.3
289.18103	84.5
290.18469	6.2
307.19147	81.4
308.19223	4.8
379.12103	4.2
397.13525	52.8
415.14609	16.9
494.09335	4.1
577.15125	4.3
965.54126	8.9
1040.41602	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	1027.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01263	2.3
72.99136	0.4
83.01258	1.9
85.02835	1.7
93.03335	1.0
95.01255	0.5
99.00768	0.5
103.00223	0.5
107.01271	7.3
109.02850	3.6
113.02341	1.9
118.61879	0.3
119.01275	0.6
121.02840	6.4
122.03222	0.3
122.49183	0.3
125.02322	0.9
135.00787	0.4
139.00237	0.7
139.03889	0.6
149.02362	1.8
151.00276	27.3
152.00571	0.7
159.04422	0.8
161.02315	0.5
163.00285	3.5
164.00980	0.4
166.99687	0.4
167.03439	0.8
169.01349	4.2
173.06067	0.3
175.02414	1.5
175.03860	0.5
177.01779	0.3
178.99786	14.9
180.00175	0.6
183.04448	0.5
187.03928	0.9
189.05511	0.6
190.99867	0.4
193.01254	0.5
199.03865	0.6
201.05408	0.7
211.03987	2.1
215.03319	0.5
216.04364	0.4
227.03355	2.4
229.04961	1.6
239.03395	0.8
243.02925	0.8
245.04488	3.5
255.03015	4.5
256.03503	0.8
257.04337	0.4
266.02234	0.6
271.02441	1.7
272.03119	0.6
273.04102	2.3
283.02426	2.7
299.01862	0.8
300.02570	1.2
301.03528	100.0
302.03882	5.9
315.01291	0.4
316.02142	0.5
317.03076	0.9
340.04486	0.6
356.04095	0.7
374.05286	0.4
477.06757	65.9
478.07077	6.9
493.06339	0.6
532.07599	0.6
534.08813	0.4
549.25360	0.6
574.11023	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.4915
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01256	4.1
77.03857	2.8
79.01748	2.6
79.59789	2.5
81.03335	7.7
83.01273	16.7
83.01687	2.8
85.02787	5.3
93.03341	6.7
95.04868	7.0
96.95911	14.4
97.02838	9.2
99.04397	3.9
101.02332	3.5
109.02835	10.1
111.00706	2.8
121.02820	7.3
122.03613	2.7
123.04383	3.9
125.01436	5.0
125.02342	98.6
133.02855	2.9
135.04420	6.8
137.02350	83.9
139.03923	3.0
146.03638	25.4
147.04372	4.0
149.02411	3.1
151.03888	8.3
159.04442	14.9
160.05185	5.0
161.02417	5.1
161.05988	3.9
163.00212	4.2
164.01071	21.3
165.01849	53.0
167.03416	27.9
169.01312	6.3
172.05212	7.4
173.05945	6.5
174.03169	13.1
174.06741	3.5
175.03833	5.4
176.04765	3.6
177.01839	11.0
179.03435	20.4
185.06029	4.9
187.03905	5.7
188.04675	10.7
189.05441	3.0
191.03476	3.2
197.11798	8.1
200.04713	4.7
201.05435	4.5
204.04285	4.2
211.13393	4.9
212.04691	8.4
213.05318	3.0
225.05513	5.2
226.06358	4.2
237.05708	2.9
239.07056	3.2
243.13641	2.7
252.07802	2.9
255.13899	4.7
268.07443	4.0
269.11841	4.9
269.15643	2.9
270.08911	5.7
271.13409	42.5
283.13379	3.6
285.15140	2.8
287.12912	2.6
289.14395	10.5
294.08868	6.4
295.13217	4.1
297.15024	4.8
299.12811	9.1
300.13431	3.8
301.14392	5.8
313.14456	18.5
315.15958	4.9
317.13849	3.8
325.14279	10.0
331.15552	4.8
335.16321	4.0
337.14468	10.6
343.15366	7.9
377.17453	6.5
393.17117	4.9
395.18738	5.1
419.18503	14.9
437.19717	12.2
445.16614	3.2
456.73923	3.0
463.17639	9.8
567.24109	4.2
673.28717	6.8
717.27612	7.1
845.42975	3.6
859.45062	16.8
860.43561	2.7
871.44470	12.4
883.44055	8.9
889.45831	13.6
941.48358	3.1
965.48810	18.4
983.49481	3.3
991.46375	10.1
1009.47919	100.0
1010.48273	18.1
1027.48999	74.5
1028.48584	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	1021.5381
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01255	16.8
71.57719	0.5
72.99175	1.2
73.02821	4.8
75.00752	9.6
78.95778	0.6
83.01254	2.8
85.02824	14.6
85.99957	1.5
87.00749	5.0
87.04398	2.2
89.02330	2.1
95.01262	1.9
97.02832	7.9
98.22340	0.4
99.00758	9.9
101.02325	2.0
103.03912	0.7
109.36752	0.4
113.02337	7.6
115.03889	1.4
125.02332	11.7
131.03409	4.9
132.45554	0.4
134.69951	0.4
137.02397	0.4
139.00233	0.6
143.03410	3.0
145.04967	0.5
157.01379	1.2
163.06033	1.0
182.38803	0.5
205.07094	1.7
229.50824	0.5
230.40211	0.5
415.55469	0.4
440.39151	0.4
565.38776	1.0
946.69977	0.6
1003.52380	2.0
1021.53821	100.0
1022.54004	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	1023.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01255	30.3
72.99184	12.9
73.02817	5.2
75.00740	8.1
78.95762	0.6
80.91559	1.7
82.07845	0.6
83.01263	3.5
84.52547	0.8
85.02826	20.2
85.99952	1.4
87.00755	6.3
87.04373	0.9
89.02311	5.3
95.01276	4.2
99.00765	10.2
101.02334	7.4
103.03889	1.8
111.00728	2.2
112.01543	4.7
113.02331	14.4
114.88444	0.7
115.00204	1.0
115.03872	2.3
119.03310	0.7
123.00616	0.9
125.02349	1.1
129.01823	0.6
131.03397	4.2
133.01360	4.1
139.00177	1.3
143.03418	5.3
152.00804	1.0
153.00394	1.3
153.01607	3.0
154.99516	8.7
157.01183	1.5
161.04463	0.7
163.05927	1.0
166.99477	2.1
178.99553	2.0
197.00606	9.6
205.07108	1.4
215.01712	1.2
227.60797	0.7
230.05171	1.1
284.31641	0.6
287.03882	0.8
317.04752	1.0
497.34927	1.3
563.37311	0.9
637.36969	8.4
638.36957	1.4
655.38098	1.7
681.36261	2.8
685.52533	0.7
699.36938	0.8
817.43616	22.4
818.44104	2.5
861.43170	3.1
923.48553	0.9
941.51160	52.0
942.51599	8.1
963.49243	100.0
964.49591	14.3
1007.47821	4.5
1008.49249	1.0
1023.50940	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	1019.5353
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01263	10.0
78.95840	2.6
87.00761	4.1
89.02315	11.4
97.02892	3.1
101.02325	7.6
111.08045	4.0
113.02335	4.1
116.92731	23.5
119.03369	4.7
121.02831	9.2
125.02319	8.3
138.09976	2.8
139.16924	3.0
161.04565	3.3
165.01869	3.3
169.01363	5.5
171.10222	4.5
174.56180	3.4
195.13832	5.7
197.11699	13.8
209.11913	4.5
211.13263	5.4
224.69203	3.0
277.21713	9.3
291.19543	14.0
293.18002	5.1
293.21255	100.0
294.21542	3.8
295.22992	14.1
300.66574	2.8
309.20724	81.9
310.21277	3.6
335.44556	3.1
379.12213	3.7
391.11688	3.2
397.13519	47.0
398.14297	3.6
415.14584	24.0
461.12958	3.8
499.78568	3.4
691.34961	11.1
707.35229	8.2
727.28137	3.7
727.42010	3.2
913.62341	3.6
939.51038	3.2
983.56262	5.6
1019.53235	66.6
1020.54236	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	1017.5645
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01259	20.0
71.59243	2.8
73.02831	2.3
78.95740	2.7
83.01259	3.5
83.04930	2.7
85.02827	11.5
87.00767	5.7
89.02327	17.9
96.95902	7.9
97.02850	6.0
97.06490	1.9
99.00791	2.0
101.02329	17.2
111.08048	6.0
113.02356	8.7
116.92757	4.5
119.03394	5.4
125.02339	13.9
125.09548	2.2
137.09599	2.1
143.03442	2.5
163.11179	3.4
165.01865	1.7
168.95621	2.0
169.01297	2.1
170.47925	1.7
171.10191	24.5
177.12822	2.2
179.05574	3.7
185.11845	2.0
195.13803	6.7
202.19458	2.2
209.11789	33.2
211.13310	8.7
212.13872	2.0
221.11780	2.8
223.13240	4.3
227.12901	5.0
229.14418	7.1
235.08270	5.5
275.20200	2.6
277.21649	2.0
289.07297	2.0
291.19678	55.4
293.21237	35.2
307.19086	4.4
309.20731	7.7
310.20981	1.8
327.21765	100.0
328.22183	4.2
368.80829	1.9
397.13458	38.9
415.14630	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	1017.5637
Annotation	Unknow
Peak:m/z	Relative Intensity
70.88031	0.4
71.01255	11.0
72.99191	1.3
73.02814	1.5
75.00737	0.6
82.62702	0.5
83.01264	1.1
83.04891	0.6
85.02824	8.0
87.00758	2.5
89.02324	8.1
95.01260	0.8
95.04891	1.4
96.95892	5.4
97.02831	4.8
97.06470	2.8
99.00809	0.5
101.02321	7.1
109.02806	0.7
111.04403	0.6
111.08041	3.4
111.14952	0.5
113.02346	3.3
119.03400	2.4
125.02333	3.9
125.09602	1.4
127.11175	0.9
131.03389	0.7
137.02382	0.6
137.09561	2.6
143.03349	1.5
155.10667	1.2
161.04430	2.6
163.25748	0.6
165.12729	2.1
167.14388	0.7
169.01299	1.1
169.12250	1.6
169.79404	0.5
171.10190	17.7
179.05505	3.0
181.12259	1.1
183.13831	2.2
185.11722	0.9
193.12309	1.6
197.11769	13.3
199.13335	1.4
201.11252	0.6
209.11765	1.9
211.13347	15.6
211.15375	0.8
221.06508	1.1
221.11769	2.2
227.12906	1.5
229.14407	8.8
235.08189	1.8
239.12875	1.8
247.20586	1.2
253.09215	1.3
263.07629	0.6
265.18228	0.5
291.19669	13.7
292.55127	0.5
293.21408	0.6
305.08728	1.1
309.20721	44.0
310.21033	1.7
323.09976	0.8
327.21762	100.0
328.22101	4.0
343.21201	0.8
369.22549	0.7
397.13495	24.8
398.13882	1.2
415.14597	19.7
416.14624	0.8
604.07648	0.5
619.42480	3.8
619.67145	0.6
620.42480	0.6
689.34674	0.7
707.34937	9.1
708.35278	1.1
725.36267	5.2
771.24109	0.5
1017.56854	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
75.92026	1.0
83.01263	3.6
95.04887	1.3
97.02802	2.5
100.69015	0.9
107.04897	2.1
109.02834	9.9
117.03354	1.7
121.02863	2.5
123.04417	6.3
125.02334	100.0
126.02680	2.5
133.02818	5.2
135.04460	4.9
137.02336	12.0
139.03908	2.2
145.02898	3.5
147.04449	1.8
149.02359	3.8
149.06039	1.3
150.03152	1.8
151.03894	11.1
159.04410	4.0
161.02345	30.0
161.06001	2.6
162.03026	2.4
163.00266	3.7
163.03899	3.3
164.01099	5.4
165.01788	4.8
167.03421	2.8
169.01360	8.0
173.06029	1.6
175.03922	15.6
177.01840	14.4
177.05461	1.8
179.03453	2.1
185.06042	1.7
187.03951	3.8
188.04564	1.7
189.01888	2.4
189.05573	1.9
191.03447	1.4
193.04941	1.3
199.03943	4.0
201.01872	2.0
201.05521	4.1
203.03435	3.1
203.07091	2.5
205.05000	3.4
217.05003	8.0
219.02934	3.3
225.05566	1.5
227.03459	3.4
227.07130	1.7
229.05064	3.4
231.03084	2.1
241.05145	1.8
243.02931	22.1
243.06689	2.3
244.03419	1.9
245.04510	12.6
245.08090	6.1
255.02960	9.6
256.03699	2.1
257.04565	1.8
259.06232	1.2
261.04047	4.6
267.03049	1.8
269.04559	4.1
271.06104	5.2
273.03934	1.6
281.04639	2.1
282.01468	1.4
283.02484	3.0
283.05786	1.6
285.04227	4.8
287.05603	22.0
289.07184	24.4
290.07562	1.3
297.04114	1.4
299.05560	1.8
303.05127	3.4
311.05322	1.3
327.04990	1.7
329.06665	1.5
337.07089	1.1
339.08759	2.0
363.08786	1.2
389.06509	2.9
390.32590	1.1
395.07916	2.3
405.06064	4.1
407.07709	39.4
408.08023	2.8
413.08713	4.9
423.07233	5.0
425.08707	1.6
433.09399	3.3
441.08255	9.3
449.08823	8.9
451.10303	8.7
525.08344	3.9
533.11078	2.1
543.09338	1.2
557.10974	1.6
559.08124	6.2
561.10638	1.1
569.10962	3.5
575.11713	6.5
577.10736	5.2
603.11560	6.3
677.11157	3.7
695.13458	6.5
696.12286	1.9
713.14490	2.0
721.12244	1.5
729.14624	22.4
730.14740	1.9
739.14282	1.7
771.15430	2.1
829.14825	1.9
847.14850	8.2
848.15845	1.7
865.18549	3.0
866.18317	1.4
891.17059	2.5
1017.20599	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03323	1.9
83.01265	3.9
93.03331	1.5
95.01239	1.0
95.04906	1.1
97.02837	1.7
98.19766	0.7
107.04882	1.5
109.02844	10.2
115.25454	0.6
117.03347	0.8
121.02839	2.1
121.93316	0.7
123.00820	1.0
123.04412	6.5
125.02334	100.0
126.02679	2.5
131.04898	2.2
133.02823	6.0
135.04402	4.0
137.02339	12.3
137.03313	1.0
139.03876	1.2
145.02841	3.7
146.03667	0.9
147.04437	2.0
149.02371	3.7
149.05978	0.8
150.03137	1.3
151.00261	0.8
151.03920	10.2
159.04414	4.0
159.42955	0.6
161.02350	34.1
161.05997	2.4
162.03069	2.1
163.00252	3.8
163.03879	3.8
164.01071	5.9
165.01831	6.7
167.03418	3.1
169.01350	8.7
173.02446	0.8
173.05977	1.6
175.03923	14.8
176.01022	0.9
177.01859	14.1
177.05460	1.3
177.53275	0.7
179.03397	2.3
183.04428	1.4
185.06076	1.7
187.03926	4.9
188.04723	1.1
189.01892	1.2
191.03369	1.2
193.01366	1.7
193.04964	0.9
199.03902	4.6
201.01855	1.8
201.05504	2.7
203.03459	2.3
203.07069	4.9
205.01332	1.9
205.05003	4.0
209.06084	1.1
211.03998	1.6
212.04692	1.1
213.05475	1.2
214.02678	0.7
215.03462	1.3
217.05000	8.6
219.02936	4.2
225.05495	2.0
227.03484	3.4
227.07047	1.5
229.04999	2.0
231.02888	1.7
240.04199	0.8
241.05080	1.9
243.02968	21.0
243.06630	1.6
244.03413	1.7
245.04509	12.6
245.08151	6.2
246.05223	0.7
247.06091	1.3
251.03627	0.9
253.05042	1.8
255.02962	9.2
256.03717	4.6
257.04547	3.1
261.03976	4.5
267.03165	1.0
269.04517	4.5
271.06134	5.1
273.04004	1.5
281.04507	3.6
282.01730	1.1
282.05286	0.8
283.02573	3.3
285.03995	4.7
287.05609	17.6
288.05859	0.9
289.07178	26.0
290.07574	1.6
295.02686	1.2
297.04031	1.8
297.07358	0.8
299.05649	1.7
303.05264	1.3
315.08719	0.8
323.05444	0.9
327.05542	0.9
331.04785	0.9
339.08698	1.0
341.06573	1.5
381.09872	1.9
387.05054	1.2
389.06641	3.1
395.07690	1.1
405.06168	3.4
407.07697	38.8
408.08112	3.7
413.08762	4.2
423.07159	2.5
425.08832	2.0
433.09253	3.2
441.08154	7.4
449.08728	6.0
451.10330	7.0
507.06573	0.7
524.43268	0.7
525.07928	1.9
533.10693	1.0
543.09296	1.9
559.08405	3.9
561.10553	1.1
569.10962	2.6
575.11676	4.1
577.13074	5.7
593.09052	0.9
601.10828	1.0
603.11316	6.0
619.13513	0.8
677.11908	2.6
690.86969	0.9
695.12567	3.4
729.14526	14.5
730.14813	2.4
739.16107	2.0
750.07141	0.8
847.15393	4.5
848.15002	0.8
865.18890	1.1
891.17615	1.4
1017.21124	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03346	2.9
83.01264	4.6
89.03820	1.0
93.03336	2.6
95.01322	1.3
95.04921	2.0
97.02824	3.0
98.20607	1.4
105.03356	1.0
107.04906	2.1
108.02075	1.1
109.02831	18.4
112.40562	0.8
117.03354	2.0
121.02852	3.9
122.03694	0.9
123.00733	2.0
123.04403	13.2
124.01544	1.0
125.02332	100.0
126.02666	3.3
131.04854	1.0
133.02846	8.3
135.00783	0.9
135.04411	4.9
137.02336	25.1
139.03920	1.8
145.02853	7.0
146.03735	1.1
147.04405	2.2
149.02354	7.3
150.03137	0.9
151.03905	10.6
159.04410	6.8
160.01599	0.9
160.05116	1.2
161.02350	34.7
161.05936	4.0
162.03059	3.5
163.00261	3.4
163.03928	4.0
164.01085	6.3
165.01886	5.6
165.57719	0.8
167.03438	2.6
169.01344	14.1
171.04501	1.4
173.05975	1.6
175.03931	14.6
175.07545	1.6
176.01079	2.6
177.01839	16.8
177.05510	2.0
179.03406	3.5
183.04413	2.3
185.06023	2.1
187.03880	8.1
188.04712	2.5
189.01903	1.0
190.02647	1.1
191.03377	1.9
193.01381	2.5
197.06050	1.1
199.03914	6.1
200.04758	0.8
201.01900	2.6
201.05510	3.3
202.06158	1.0
203.03430	3.9
203.07005	7.4
205.01341	1.6
205.04984	4.7
209.05959	1.1
211.03998	3.9
212.04662	1.1
213.01959	1.0
213.05502	3.8
214.02635	2.1
215.03394	2.1
215.06958	1.2
217.05034	4.1
219.03041	1.5
221.08206	1.0
223.04022	1.1
225.05557	2.8
227.03423	5.5
227.07054	2.7
228.04164	1.7
229.04987	5.6
229.18546	0.9
230.05757	1.4
231.02968	2.0
231.06445	1.1
236.04790	1.0
237.05492	1.4
241.04999	2.7
243.02960	18.4
243.06686	1.5
244.03452	1.9
245.04523	10.3
245.08121	10.1
253.05022	3.8
255.02946	21.4
256.03711	11.8
257.04489	4.8
259.06168	1.1
267.02991	2.1
267.06479	1.2
268.03766	1.1
269.04501	8.0
270.05185	2.1
270.97443	1.0
271.06125	7.4
273.04047	2.0
280.03555	1.0
281.04538	5.7
283.02527	3.7
284.02979	1.5
285.04044	9.3
287.05518	7.6
289.07178	39.7
290.07587	1.7
293.04660	1.9
296.03018	1.1
297.04041	3.5
297.07602	1.2
299.05405	6.1
303.05197	2.2
309.04193	1.0
311.05646	1.4
321.07513	1.4
339.08533	4.8
363.08823	1.8
381.09714	3.0
389.06601	10.3
407.07687	83.4
408.08023	6.0
417.05884	1.6
425.08664	2.7
433.09357	7.0
441.08255	8.1
447.06992	1.1
449.08780	2.5
451.10361	19.7
452.10886	1.0
457.09540	1.3
461.08990	1.4
481.10065	1.6
499.10693	1.2
525.07831	6.9
541.11194	1.9
543.09094	6.3
551.09912	3.1
559.08289	8.1
569.10931	16.5
570.10822	2.0
577.13818	7.7
587.11584	2.0
603.11401	14.7
613.13171	4.2
677.12494	4.6
695.13745	21.4
696.14264	2.7
711.13147	1.8
721.12726	5.2
729.14642	19.5
730.14691	2.4
739.15363	3.4
765.15332	1.9
847.15411	6.9
891.17914	5.4
910.33228	1.0
1017.19244	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.5878
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	12.1
72.99194	0.9
73.02818	1.9
81.03325	1.0
83.01265	1.3
83.04897	1.5
84.02042	1.7
85.02827	3.8
87.00753	2.8
89.02316	9.5
95.01258	1.2
95.04926	0.5
96.95886	3.3
97.02837	3.0
97.06471	6.5
98.20570	0.9
99.00758	1.1
99.04417	0.9
101.02317	9.0
111.08041	1.3
113.02335	5.6
114.65225	0.5
119.03401	3.2
125.02341	6.0
125.09604	1.9
131.03397	1.1
137.02315	0.7
137.09644	1.1
143.03387	1.5
149.13248	0.9
161.04457	2.3
165.12770	0.8
167.03290	0.7
169.01416	0.7
171.10164	6.4
175.11215	0.5
177.71480	0.6
179.05603	2.9
185.11775	1.7
193.12263	10.6
195.13846	4.4
196.14403	0.6
197.11781	4.1
197.15439	0.6
209.11771	2.4
210.49707	0.6
211.13326	3.8
221.06569	0.9
221.11835	0.9
223.13329	2.9
225.14906	13.5
227.12831	1.2
229.80106	0.5
235.08176	3.1
243.15997	5.8
245.19081	0.9
253.09155	1.1
253.14401	1.2
256.13226	0.6
263.20212	0.8
273.18396	0.5
275.20093	3.1
277.18253	0.9
287.07883	1.0
289.18073	4.8
291.19708	4.7
293.21225	55.3
294.21561	2.2
305.08725	1.0
305.21454	0.8
307.19247	4.4
309.20676	6.9
313.64264	0.5
323.22342	1.9
325.20172	0.7
341.23309	100.0
342.23749	4.2
379.12317	1.0
397.13467	20.3
398.13574	0.9
415.14587	17.6
416.14749	0.9
600.60876	0.5
607.25812	0.8
617.44214	6.0
618.45129	0.9
691.35358	1.7
721.36218	2.6
739.37329	4.3
765.88342	0.7
890.87640	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.5909
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01259	15.2
71.58691	1.3
73.02829	2.0
78.95763	1.0
81.03319	1.1
82.76894	0.8
83.01286	2.5
83.04893	1.7
84.02036	3.2
85.02825	4.0
87.00747	4.3
89.02325	11.0
95.01258	1.2
96.95896	18.2
97.02832	4.4
97.06459	4.7
99.00735	1.5
101.02326	10.7
101.26563	0.8
103.49723	0.9
109.06455	1.2
111.08038	2.2
113.02327	6.0
119.03385	3.3
121.69527	0.9
125.02336	8.0
125.09614	2.1
137.02286	0.9
139.03897	1.0
143.03432	2.9
161.04424	2.2
162.46666	1.1
163.11214	1.6
168.85170	0.9
169.01280	1.2
171.10185	16.2
177.12805	1.3
179.05518	3.0
185.04381	1.1
185.11740	1.4
191.14485	0.9
193.12321	6.1
195.13799	5.8
197.11757	6.3
203.10588	0.8
207.10150	1.4
209.11765	3.8
211.13301	4.5
221.06601	1.9
223.13316	4.0
225.14909	10.2
227.12839	1.2
235.08217	3.3
243.15944	5.3
245.19154	2.3
263.20273	1.0
275.20151	2.9
289.18161	6.6
291.19611	6.3
293.21231	63.0
294.21561	3.2
307.19229	7.0
309.20682	9.9
310.20621	1.1
323.09866	1.2
324.46600	0.9
341.23309	100.0
342.23636	7.1
379.12579	1.4
397.13495	27.4
398.13794	2.1
415.14603	16.7
416.14804	1.4
417.91653	0.9
522.58356	0.9
571.99481	1.1
617.44189	5.3
691.35321	2.5
721.36163	1.9
739.37970	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	1015.5478
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	35.0
72.99188	1.4
73.02818	6.8
78.95753	1.5
81.03328	2.8
83.01261	5.4
83.04908	2.5
85.02830	9.7
87.00751	8.9
89.01772	1.0
89.02312	27.7
93.03346	1.1
95.01286	3.0
95.04908	2.2
96.95886	2.6
97.02833	8.7
97.06474	6.1
99.00776	3.4
99.92458	10.1
101.02322	25.9
109.02783	1.7
109.06502	2.9
111.00749	1.6
111.08048	14.7
113.02320	13.2
116.92747	68.3
116.97122	2.7
117.01797	2.9
117.92781	3.2
119.03361	9.1
121.06526	1.4
123.00829	1.2
123.04420	2.6
123.08048	1.8
124.01409	1.3
125.02343	12.4
125.09615	8.2
127.07531	1.2
135.08067	1.3
137.09627	3.6
139.03912	1.6
139.11110	1.4
143.03407	5.5
151.11201	4.3
153.12769	2.3
155.82101	1.0
161.04535	6.7
161.09601	1.7
163.11229	4.5
165.12764	4.1
166.47548	1.0
167.10654	1.4
169.12245	8.4
171.10182	5.0
177.12790	1.3
179.05550	8.5
179.10724	2.4
181.12300	6.0
183.13875	1.8
185.11754	8.0
191.10757	1.8
191.14346	6.3
197.11765	85.1
198.12155	2.3
199.13332	5.0
207.10181	2.4
209.11777	20.0
210.12108	1.4
211.13350	14.5
221.06647	3.0
221.11809	1.4
223.13347	2.0
225.11356	3.2
227.12849	14.6
228.13260	1.2
229.47688	1.4
235.08218	7.1
237.11302	2.3
245.19109	12.9
253.09262	2.4
263.20114	11.3
265.18207	1.5
273.18643	1.3
289.18088	49.5
290.18506	4.1
291.19681	30.5
292.20163	3.0
293.21234	2.6
298.02817	1.1
307.19159	52.1
308.19559	1.5
309.20712	100.0
310.21127	5.7
327.21896	2.4
341.23367	3.8
379.12067	1.2
381.10428	1.3
397.13501	29.3
398.13925	3.6
415.14633	21.0
441.75363	1.1
458.38721	1.3
589.24780	1.7
607.26025	2.7
705.33282	1.8
943.14539	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.5475
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	44.3
72.99187	3.9
73.02816	6.8
74.53728	1.3
80.02582	1.7
81.03321	6.5
82.60336	1.1
83.01263	8.8
83.04906	3.3
84.02053	1.2
85.02824	11.2
87.00743	9.5
89.02321	35.6
93.03352	1.6
95.01264	4.6
95.04903	3.5
96.95911	3.9
97.02838	16.9
97.06470	9.5
99.00766	3.5
99.92458	8.3
101.02326	34.3
109.02823	2.1
109.06476	2.5
111.00756	1.8
111.04428	1.6
111.08051	12.5
113.02339	17.6
116.92752	57.7
117.01855	1.8
117.92766	3.3
119.03403	11.1
121.06448	1.6
123.04427	5.8
123.08057	3.8
125.02364	16.0
125.09608	14.6
127.07555	2.9
131.03386	2.5
135.08101	2.3
137.02339	1.8
137.05940	1.5
137.09621	5.1
139.11169	1.3
141.12823	1.3
143.03358	4.3
145.04994	1.8
151.11194	1.9
153.12744	2.1
157.71745	1.2
159.08047	1.4
161.04512	6.6
163.11197	8.9
165.12793	5.9
167.03487	1.5
167.10609	1.6
169.01302	1.7
169.12288	5.5
171.10201	10.9
177.12819	1.7
179.05531	12.3
179.10713	2.5
179.14378	1.9
181.12251	5.5
183.13890	1.8
185.11780	14.0
191.14368	11.3
193.12296	3.6
197.11777	72.6
198.12172	3.2
199.13374	4.3
207.10191	4.1
209.11787	27.2
211.13367	12.9
217.07083	1.6
221.06648	4.2
223.13435	1.8
225.11345	2.5
225.14984	2.1
227.12897	14.6
229.38992	1.3
235.08247	9.5
237.11308	4.5
244.74495	1.2
245.19084	19.9
246.19554	1.2
247.20714	5.1
253.09276	2.7
263.07864	1.8
263.20206	8.9
265.18134	2.5
271.17157	3.5
273.18597	2.0
281.21338	2.0
287.07889	2.0
289.18112	83.4
290.18460	4.4
291.19675	58.2
292.20059	3.9
293.21252	14.9
294.21494	1.5
307.19159	67.5
308.19525	3.9
309.20721	100.0
310.21201	6.8
323.09961	1.7
325.20288	2.3
341.23340	18.8
342.23764	2.5
379.12448	2.7
397.13483	44.6
398.14026	3.2
415.14584	26.2
416.14728	2.5
528.27209	1.3
607.25781	2.1
621.42017	1.4
654.37158	1.3
687.32727	1.6
705.33667	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	1015.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
72.00775	0.7
72.04412	0.5
74.02348	12.5
98.02366	3.3
107.01273	0.9
108.62558	0.5
116.03439	2.5
116.04945	5.5
123.10278	0.6
125.02332	3.6
135.00822	0.8
137.02301	0.6
142.06529	1.3
151.00250	2.1
159.09184	1.4
159.79256	0.5
161.02408	0.7
162.02866	0.5
163.00276	0.7
164.01031	0.5
169.01308	1.8
178.99786	1.1
183.04407	0.6
187.03996	0.6
199.03801	0.6
201.10097	0.6
203.08212	12.0
211.03790	0.6
227.03442	20.4
228.03751	0.9
229.05009	1.2
239.03381	0.7
243.02873	0.7
245.09290	24.6
245.11841	1.2
246.09642	1.7
249.91983	0.5
255.02965	42.1
256.03595	5.3
257.04538	1.9
262.06174	0.5
283.02380	1.4
284.03247	60.2
285.03943	12.5
286.04388	0.7
315.01303	0.6
506.11530	0.7
575.13531	0.6
579.95172	0.6
604.82971	0.5
725.19336	100.0
726.19635	11.0
756.03833	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.194
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58629	1.2
81.03339	3.5
83.01255	6.4
91.36626	0.7
93.03347	3.3
95.01250	2.2
95.04915	2.2
97.02834	4.1
107.01309	1.9
107.04887	2.1
108.02077	2.3
109.02839	29.7
110.65101	0.9
111.00779	1.8
117.03350	2.3
119.04909	0.9
121.02854	7.4
123.00793	2.2
123.04414	12.7
124.01551	1.4
125.02341	100.0
126.02683	1.5
131.04936	1.4
132.02100	1.3
133.02846	9.0
135.00777	2.3
135.04430	6.1
137.02345	28.7
137.82935	0.7
138.20137	0.8
139.03912	3.8
143.04895	1.9
145.02876	8.5
146.03656	2.8
147.00722	1.4
147.04422	4.1
148.01605	1.5
149.02353	23.0
150.03081	1.9
151.00256	1.2
151.03931	13.3
157.02817	1.0
158.03690	1.1
159.04424	11.0
160.01604	2.3
161.02356	33.6
161.06007	7.8
162.03122	2.9
163.00282	19.3
163.03903	3.7
164.01057	8.6
165.01859	7.1
165.05386	0.9
166.02179	0.9
167.03427	2.5
167.04834	0.9
169.01346	23.8
169.02783	1.3
171.04445	3.8
173.02361	2.2
173.06036	2.5
174.03154	3.5
175.03922	21.0
175.07555	1.5
176.01068	3.3
177.01855	19.7
177.05434	1.6
178.02528	0.8
179.03401	4.5
183.04463	3.8
185.02386	1.4
185.06006	5.9
187.03957	11.4
188.04797	4.1
189.01855	2.5
189.05540	4.6
190.02634	1.0
191.03445	1.6
193.01305	3.0
195.04413	1.1
197.06020	2.8
198.03185	1.7
199.03964	11.8
200.04614	1.2
201.01860	7.5
201.05515	6.1
202.02618	1.7
202.06302	1.8
202.99835	1.2
203.03445	3.5
203.07097	9.5
205.01334	3.6
205.05020	8.9
209.06015	3.0
211.03969	4.4
212.04747	1.4
213.05536	5.2
214.02695	2.7
215.03499	6.6
216.00613	0.8
216.04164	1.8
217.01407	2.1
217.04985	8.6
219.02940	2.8
221.06071	1.4
221.08109	1.6
223.03984	1.2
225.05554	3.4
226.02631	1.3
227.03447	6.6
227.07074	2.4
228.04173	1.4
229.05034	5.8
231.02983	2.6
235.03947	0.9
237.05515	2.0
239.03525	2.2
240.04283	1.6
241.05016	7.3
242.02255	1.5
243.02969	19.1
243.06738	1.8
244.03580	1.9
245.00870	0.9
245.04523	7.8
245.08165	14.4
246.01752	1.2
249.05391	1.1
251.03473	1.6
253.05037	6.6
255.02957	18.3
256.03711	7.4
257.04541	9.3
259.06201	1.2
264.04343	1.0
265.04999	1.7
266.01971	0.9
267.03006	4.2
268.03735	1.8
269.04517	6.3
271.02991	1.5
271.06088	14.8
272.03220	2.0
273.04117	2.3
279.03040	1.3
279.06528	0.9
280.03592	1.2
281.04651	5.2
281.07404	1.1
282.01950	1.2
282.05188	1.1
283.02505	7.1
283.06158	3.5
284.03174	2.9
285.04037	49.5
286.04471	2.3
287.02301	1.8
287.05646	8.4
288.02725	2.4
289.07184	65.8
290.07544	3.3
293.04492	1.0
295.02469	3.1
295.05994	1.5
296.03165	1.4
297.04007	3.9
297.07626	1.7
299.05521	6.8
301.03522	1.6
303.04993	4.6
306.05292	1.3
307.03012	1.2
307.06064	5.4
309.04059	3.1
311.05463	1.4
319.06219	1.0
321.03922	1.2
321.07507	1.2
322.04889	1.1
323.05539	2.2
325.03650	1.2
325.07336	1.2
329.06808	1.6
335.05624	1.1
337.03540	1.2
339.08850	1.4
349.07239	1.4
351.05127	0.9
359.05463	1.6
361.03360	1.2
374.04224	1.0
375.05173	3.6
387.05154	2.4
388.05734	1.2
389.06635	3.5
393.06189	2.1
401.06589	1.0
403.04382	1.4
405.06036	2.2
407.07730	33.7
408.08090	2.5
411.07208	75.2
412.07486	5.2
423.07181	1.8
425.08356	1.0
431.07996	1.0
433.09415	9.3
441.08377	15.3
445.05539	1.3
447.07217	6.0
451.10422	40.2
452.10565	2.1
463.06863	2.6
503.78754	1.1
525.08215	2.3
529.07843	0.9
531.09375	8.7
541.07886	4.9
555.09015	2.0
559.08246	7.5
560.09479	1.0
567.09430	4.7
570.07672	1.5
571.09204	1.5
573.10388	18.3
577.09998	3.1
603.11578	12.6
604.11804	1.3
609.14783	1.5
657.10498	2.3
675.11383	6.9
693.12476	55.4
694.12921	5.8
711.13647	8.1
712.14502	1.2
729.14697	2.4
778.39844	0.9
845.13849	11.2
846.15137	1.6
863.16101	9.9
864.15594	1.1
1015.20026	4.3
1016.46082	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1013.5329
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01256	18.8
71.28143	0.6
71.28496	1.1
72.99187	1.7
73.02824	4.4
75.00746	9.6
78.95762	0.8
83.01276	2.2
84.02039	0.5
85.02825	22.8
85.99979	1.2
87.00747	7.5
87.04394	1.8
87.54436	0.5
89.02335	1.9
95.01254	2.5
98.20290	0.7
99.00761	14.2
101.02321	3.2
103.03885	1.0
112.01529	1.2
113.02332	17.0
115.03903	1.6
125.02339	0.8
131.03394	5.3
138.74036	0.6
139.00259	1.1
143.03384	3.2
157.01320	1.1
163.05974	1.0
170.71284	0.5
205.07060	1.2
224.55431	0.5
226.76305	0.5
240.48708	0.5
501.35202	0.6
503.78979	0.5
513.48608	0.6
624.98682	0.5
717.41949	1.4
937.51843	0.7
951.53412	1.2
995.52600	2.0
1013.53302	100.0
1014.53632	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	1013.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
70.15572	0.6
83.01232	0.6
91.01767	0.6
107.01279	2.2
109.02793	1.5
109.99983	1.5
121.02847	1.4
121.20927	0.7
123.00766	0.6
125.02330	1.3
139.00284	1.6
148.01598	1.2
151.00327	7.5
163.00226	2.2
165.98997	2.1
169.01321	0.9
174.03137	0.8
178.99812	4.8
187.03934	1.0
192.70760	0.5
199.04073	0.8
211.04022	0.8
215.03374	1.0
221.29825	0.7
226.02736	0.7
227.03423	2.6
243.02975	7.9
245.04498	0.9
254.02094	0.9
255.00266	1.1
255.02954	22.0
256.03421	1.5
262.03290	0.6
271.02484	45.3
272.03024	3.0
273.03918	0.9
284.03336	0.6
285.04123	0.7
287.02020	1.3
299.01947	3.3
300.02756	74.7
301.03488	29.8
302.03693	1.6
316.02167	8.5
317.03000	3.4
463.08755	4.1
479.07901	0.6
505.09900	100.0
506.10199	8.8
507.10300	1.0
521.09351	13.9
522.09534	1.3
565.27454	0.7
571.28619	0.6
592.73132	0.6
696.84613	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1013.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
70.64008	5.0
71.01253	32.9
72.99185	2.1
73.02820	32.1
75.00780	1.5
83.01265	13.2
85.02829	5.9
87.00740	2.2
89.02335	6.3
93.03339	6.6
95.01242	2.6
96.95883	3.0
97.02840	1.7
99.00758	1.5
101.02317	33.4
108.02084	3.2
109.00932	1.2
109.02822	2.7
113.02343	12.4
117.03359	1.6
118.48251	1.5
119.03402	4.3
119.04898	1.4
121.02857	11.1
122.03635	17.0
123.00777	1.7
123.04401	3.4
125.02354	4.5
125.57680	1.4
131.03419	3.4
132.02072	2.9
133.02838	5.1
134.03629	5.6
135.04440	2.1
136.01564	34.6
137.02339	13.6
143.03386	3.5
145.02850	8.6
146.03641	5.4
147.04436	2.9
149.02354	38.1
149.04399	3.9
149.06012	4.1
150.03134	100.0
151.00308	7.7
151.03929	54.1
152.01080	1.6
152.04619	2.1
153.01859	1.4
161.02362	8.2
161.04475	9.4
161.05980	5.2
162.03140	98.9
163.03830	6.0
164.04660	8.2
165.01839	8.3
165.05484	88.5
166.02625	18.8
166.05768	2.2
167.03464	2.2
175.03920	2.7
176.04599	2.1
177.01859	5.2
177.05496	90.3
178.05867	3.0
179.03394	2.2
179.05678	1.9
179.06993	7.5
180.04201	13.3
181.04997	23.1
187.03960	1.8
190.06329	2.4
192.04233	2.8
195.06561	66.8
196.06975	3.5
205.05017	6.1
207.06593	3.6
219.06552	2.8
220.07295	3.4
225.07652	5.7
239.62865	1.6
252.04054	2.8
267.06586	6.4
329.10321	3.3
339.10788	3.6
357.09540	2.2
372.11871	2.2
373.13074	5.1
387.10950	1.7
387.14618	17.7
388.14987	1.9
403.14163	2.3
417.15427	12.9
421.15027	8.3
538.49951	1.8
550.18134	2.6
551.18829	1.8
555.68628	1.5
563.18695	2.3
564.19867	2.6
565.20752	35.9
566.21649	2.5
577.20728	5.6
595.22003	11.5
613.22852	6.8
686.37622	1.5
713.25696	13.4
725.25940	11.9
743.27142	20.8
744.27472	2.6
761.27960	6.3
762.28650	1.7
773.28015	6.7
791.28955	4.7
809.29712	2.0
817.29474	2.2
851.37567	2.1
905.32465	2.5
923.33008	1.9
925.38495	1.6
965.34558	4.4
966.34058	2.4
1013.36005	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	1011.5169
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	18.7
72.51208	0.5
72.99182	2.9
73.02822	4.9
75.00744	8.4
75.06755	0.5
78.95795	1.0
79.95609	0.5
83.01236	3.2
85.02818	17.0
85.99963	1.3
86.03130	0.5
87.00749	9.3
87.04379	2.0
89.02312	4.9
92.19829	0.5
95.01256	4.2
96.95882	11.8
98.19914	1.1
98.20482	0.6
98.95469	2.4
98.96333	0.8
99.00756	12.3
101.02319	6.7
103.03888	1.5
112.01575	0.7
113.02338	12.8
113.03106	0.4
115.03868	1.7
116.92718	0.5
119.03398	1.5
125.02252	0.6
131.03384	3.9
139.00288	0.7
143.03397	3.8
145.04927	0.7
157.01338	1.2
163.05981	1.5
205.07138	2.1
239.28177	0.5
334.09705	0.7
479.34949	0.7
531.75122	0.7
641.41077	0.7
685.39648	0.8
993.50525	2.0
1011.51721	100.0
1012.51984	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	1012.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01263	5.0
71.71814	0.8
72.99177	3.5
73.02830	0.9
82.56295	0.7
83.01273	4.6
85.02820	4.8
90.20307	0.8
93.03354	2.2
95.01239	2.0
99.00788	1.9
101.02366	1.1
103.00264	1.9
107.01279	10.6
108.02068	1.1
109.02841	12.7
111.00758	2.7
113.02340	5.7
117.69733	0.7
118.02871	1.4
119.01295	1.6
121.02860	8.0
123.00764	1.6
125.02332	4.9
132.04483	0.9
133.02844	1.6
134.02356	1.5
135.00764	1.2
135.04448	1.0
137.02350	3.5
139.00278	1.7
139.03914	1.9
146.02356	1.7
147.00786	1.1
148.01569	1.1
148.03859	0.8
149.02339	7.5
150.03075	1.4
151.00279	37.8
152.00996	2.4
153.01895	2.1
159.04456	1.3
160.03926	2.8
161.02357	2.6
161.06003	1.5
162.01826	3.8
163.00281	8.0
163.02609	0.9
163.03896	0.9
164.01064	0.8
164.03418	2.7
165.01802	1.4
165.05501	1.1
166.99796	1.2
169.01358	3.9
173.02367	0.9
173.06049	1.2
174.01898	2.5
175.00258	4.9
175.02530	0.9
175.03926	1.6
176.01131	1.5
177.01854	11.6
178.99779	19.0
180.00069	1.1
183.04617	1.2
186.01898	6.8
187.03951	1.6
188.03410	1.3
189.01915	0.9
189.05472	1.1
190.01361	5.1
192.00659	1.0
192.02870	1.2
193.01367	6.3
193.03351	7.4
194.99298	0.8
199.03998	2.4
201.05518	2.2
202.01425	3.2
203.03485	2.2
204.02911	7.8
205.01430	1.4
205.05069	1.1
206.99185	0.9
207.99989	1.0
208.02444	2.2
209.00818	1.4
211.03957	3.3
213.05592	1.9
217.05028	1.3
218.00893	2.9
219.02930	1.1
221.01053	0.7
222.03941	1.5
226.02756	1.3
227.03523	5.5
228.04080	1.2
229.05046	3.1
230.00853	1.6
231.03096	1.1
239.03516	1.5
241.04991	2.0
242.02170	1.0
243.03017	3.6
245.04573	4.8
248.02003	2.4
249.04062	2.0
255.02986	9.2
256.03665	1.3
257.04587	2.3
259.02576	1.3
267.02872	1.8
269.04562	2.3
271.02460	10.7
272.03183	2.7
273.04065	6.9
283.02518	2.5
285.04016	6.5
291.05103	2.6
294.04086	3.2
295.02496	1.5
299.01984	2.9
300.02686	16.7
300.05676	1.4
301.03534	81.2
302.03903	5.7
303.04010	1.0
312.05203	3.9
313.03531	14.8
316.05057	1.4
317.03024	13.1
318.03168	1.2
322.03506	9.0
330.06378	0.9
338.02994	1.4
339.03635	1.6
340.04611	100.0
341.04993	4.0
356.04099	3.6
357.04364	2.6
358.05676	61.7
359.05792	2.8
385.04117	3.0
398.07266	10.5
424.05505	4.3
425.06314	1.0
477.06793	54.5
478.07214	4.0
479.07700	1.2
493.06183	3.5
516.07898	26.7
517.07751	2.2
532.07043	1.7
533.07440	1.6
534.08929	47.8
534.16077	3.1
535.09277	2.8
699.31146	0.9
770.62463	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01239	5.3
81.03336	8.2
83.01263	18.5
85.02829	3.2
93.03367	4.2
95.04874	4.3
96.95895	16.8
97.02811	9.1
98.20611	5.4
99.04401	4.4
101.02336	4.5
107.04902	3.2
109.02829	12.9
113.02306	2.2
118.49789	1.5
121.02837	9.8
123.04403	3.7
125.02338	91.8
132.99734	1.8
135.04395	4.4
137.02351	79.3
138.02710	2.8
146.03622	26.0
147.04372	2.1
149.02341	5.3
151.03894	6.9
158.03712	2.0
159.04434	14.7
160.05231	4.7
161.02405	2.8
161.05952	3.2
163.00230	2.2
163.30698	1.9
164.01074	19.3
165.01845	54.6
167.03391	26.7
169.01385	3.1
172.05205	4.7
173.05994	5.3
174.03154	12.9
174.06754	4.0
175.03860	4.9
177.01842	8.4
179.03447	15.0
185.05946	4.1
186.06752	3.7
187.03944	8.7
188.04703	9.8
189.05516	3.1
195.13794	4.1
197.06096	3.1
199.07722	2.4
200.04710	5.0
201.05495	4.8
202.06277	2.1
204.04233	5.3
210.06702	2.4
211.03923	1.9
212.04730	8.3
223.13373	2.3
224.04713	2.8
225.05490	4.1
226.06268	3.0
243.13785	3.2
252.07825	2.9
255.13962	3.3
265.08871	2.5
268.07358	4.3
269.11807	5.8
270.08963	2.3
271.13382	33.7
283.13324	3.0
285.15076	3.8
289.14453	5.3
293.21201	9.7
294.08981	8.2
295.13306	2.9
297.14816	5.9
299.12878	10.8
299.16113	2.2
301.14355	3.6
309.86334	2.0
313.14398	19.4
315.16016	6.7
317.13931	3.3
325.14584	12.7
335.16501	3.9
337.14383	11.8
343.15482	5.4
351.15985	2.1
353.17670	1.9
355.15472	2.4
356.82336	1.9
359.16376	2.2
377.17593	6.1
379.15390	2.4
393.17126	3.0
395.18741	3.3
419.18787	20.0
437.19604	9.0
445.16776	3.2
463.17679	4.4
493.39459	2.2
567.24335	3.2
673.28790	5.6
717.28076	3.4
827.44409	2.5
843.45477	24.8
844.46484	2.6
855.45813	14.3
856.46295	2.3
867.45844	11.3
873.46307	13.1
909.46118	3.5
949.49768	18.9
950.49329	3.7
967.48962	3.3
975.47552	6.6
993.48584	100.0
994.49561	13.1
1011.49658	69.0
1012.49896	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	1011.4957
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01259	5.6
81.03341	9.3
81.33203	2.9
83.01254	19.7
89.02303	3.6
93.03352	6.1
95.01266	3.3
95.04893	4.8
96.95888	16.2
97.02834	8.5
99.04388	4.8
107.04939	3.3
109.02874	11.2
121.02870	7.3
123.04379	4.6
124.01544	5.6
125.02346	100.0
130.46625	2.8
132.20876	2.5
133.02881	3.0
135.04465	3.2
137.02342	77.6
139.03886	4.5
146.03642	31.3
149.02377	3.9
150.02971	3.3
151.03885	8.2
159.04449	16.0
160.05211	5.7
161.02386	3.3
161.05940	4.8
163.00278	2.6
164.01062	20.2
165.01855	53.3
167.03423	27.9
169.01389	6.5
171.10236	3.5
172.05223	6.7
173.05969	3.6
174.03174	12.3
175.03934	4.0
176.04695	4.4
177.01880	13.8
179.03415	18.7
185.06013	7.5
187.03992	7.7
188.04701	10.1
189.05435	3.4
191.03558	3.7
195.13849	4.6
197.11789	5.0
200.04724	6.4
201.05467	5.3
204.04274	6.3
211.13402	3.1
212.04756	7.7
223.07448	3.0
225.05554	7.4
226.06241	2.8
251.06927	3.3
252.07866	6.2
255.13873	4.1
263.36472	2.8
268.07358	5.0
269.11877	8.3
270.08932	4.1
271.13364	43.0
272.13766	3.3
283.13422	3.8
289.14474	10.7
293.21213	7.0
294.09174	5.5
297.14908	5.0
299.12891	7.7
301.14404	4.5
309.14935	3.6
309.20908	3.8
311.22321	6.8
313.14450	19.1
315.16064	3.7
317.14023	4.5
325.14276	13.7
335.16397	3.1
337.14481	9.6
343.15494	6.7
351.16327	3.8
377.17508	7.8
393.16437	3.1
395.18506	6.7
401.17551	3.5
419.18674	16.1
437.19693	11.9
463.17505	5.6
481.18338	4.5
524.08258	2.7
673.28375	5.8
717.27844	6.2
843.45325	20.7
855.45282	12.6
867.45245	10.6
873.46350	13.4
898.26434	3.3
949.49249	21.6
950.49731	4.0
967.48840	5.3
975.47150	6.1
993.48492	95.4
994.48810	13.5
1011.49518	75.0
1012.49414	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	101.0232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31299	9.5
55.01758	17.1
57.03323	30.5
58.23729	10.9
59.01255	60.7
68.99670	10.4
69.66322	72.1
71.01250	60.8
73.02813	74.4
74.34390	10.2
85.99976	30.6
92.92707	10.7
100.94490	100.0
101.02329	88.2
101.06009	17.0
102.05503	16.0
111.69033	10.3
115.91933	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01260	0.9
71.60190	0.7
85.02833	1.2
97.02395	0.5
99.98832	0.6
107.01275	1.9
108.02065	1.4
109.02831	0.8
113.02323	1.4
121.02838	1.2
148.01593	1.4
151.00287	6.1
163.00270	1.6
164.01111	0.9
169.01321	0.8
178.99756	3.3
192.00642	0.7
199.03970	0.7
211.03934	1.2
215.03391	0.6
226.02751	1.0
227.03461	2.2
229.04889	0.8
243.02965	8.7
254.02122	1.5
255.02971	22.4
256.03445	1.0
271.02481	51.0
272.02960	3.1
273.04163	0.7
283.02573	1.1
285.04019	3.2
299.01883	1.5
300.02759	100.0
301.03464	21.2
334.10599	0.6
354.22571	0.6
363.51965	0.6
445.07782	3.6
456.34665	0.6
461.07120	0.8
463.08932	0.6
505.09909	74.8
506.10229	6.0
542.49554	0.6
549.25604	3.4
632.35620	0.5
681.98535	0.6
735.46844	0.6
1010.59509	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	13.7
72.99184	8.6
73.02817	1.5
75.00741	12.9
83.01247	2.4
85.02825	18.2
87.00754	6.1
89.02330	4.4
95.01261	3.6
97.02829	2.5
99.00751	4.0
101.02335	4.1
101.05977	1.0
103.00234	4.3
107.01248	1.5
109.02842	1.9
113.02332	20.6
116.67207	0.8
117.01775	0.9
121.02856	1.5
122.03716	0.8
125.02378	5.4
129.01820	2.3
131.03374	3.7
133.01285	1.4
135.04382	1.2
137.09610	0.9
148.02893	0.8
151.00307	4.8
157.01334	1.4
163.00301	1.0
165.01822	1.2
169.01337	3.0
173.04512	1.2
175.02406	3.3
178.99770	2.9
180.80273	0.8
193.03465	16.7
217.03281	0.8
227.03392	1.3
235.04521	12.8
243.02975	3.5
255.02919	8.1
271.02499	16.8
273.03970	1.0
299.01877	1.7
300.02737	29.8
301.03479	15.5
302.03906	0.8
337.07806	8.4
355.08704	6.7
358.54324	0.8
385.12357	1.0
398.24072	0.9
399.12915	2.0
456.68405	0.9
461.07132	1.3
463.08810	36.0
464.08929	3.1
519.17059	1.1
545.22394	100.0
546.22791	10.3
547.23468	1.4
835.45935	0.9
857.56744	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.5747
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01268	1.2
71.04875	2.3
71.60217	0.6
72.99196	0.6
78.95789	0.8
80.02532	1.2
81.03335	1.6
83.04882	0.9
85.02828	1.7
88.98675	7.9
89.02305	0.7
95.04903	1.6
96.95895	1.2
98.03635	0.7
100.91573	0.4
109.06490	8.1
111.04432	3.3
111.08009	0.7
123.08042	1.6
125.02309	2.4
127.07529	1.8
128.05295	0.6
135.08072	0.6
137.09624	1.3
143.10698	1.1
145.06480	1.4
149.06047	0.5
149.09683	1.0
159.08008	0.6
163.11162	0.7
167.10678	1.7
169.01367	1.3
177.01700	0.6
181.12288	0.7
191.14302	0.8
195.13783	2.8
209.03000	1.4
209.11737	6.3
215.14484	0.5
223.13356	5.5
227.12837	1.2
235.13428	1.2
245.19051	4.1
251.16512	0.8
271.16968	1.4
287.16476	1.5
289.18106	100.0
290.18393	4.3
307.19165	11.8
308.19702	0.7
447.13040	0.6
459.22253	0.9
797.33704	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
78.39240	0.5
83.01258	1.2
107.01279	3.2
108.02013	0.6
109.02856	1.2
121.02905	2.6
121.03648	0.7
125.02328	2.0
137.02312	0.9
148.01538	0.9
151.00276	9.4
163.00328	2.9
166.79431	0.5
169.01405	1.3
178.99802	5.6
183.04413	0.7
185.06090	0.5
187.03967	0.7
201.05545	0.8
211.03960	1.3
226.02626	0.7
227.03447	2.3
229.04999	1.0
243.02940	5.4
245.04520	1.4
254.02222	2.0
255.03003	16.9
256.03400	1.7
271.02484	29.2
272.02988	2.0
273.04083	1.1
283.02603	2.6
295.51968	0.6
298.04874	4.5
299.01990	0.8
300.02753	56.7
301.03491	45.9
302.03885	2.1
313.07257	6.1
361.71716	0.6
447.09320	100.0
448.09598	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	1005.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
70.41618	5.6
71.01255	7.2
72.99187	5.4
80.75610	1.3
83.01277	9.8
85.02836	7.5
85.15067	1.4
93.03320	2.6
95.01266	6.9
96.99134	1.5
97.02860	2.0
99.00787	1.9
103.00259	2.4
107.01278	16.9
109.02838	17.1
111.00755	6.5
113.02328	9.2
119.04926	1.7
121.02872	8.0
123.00788	3.9
124.01511	2.4
125.02319	12.5
131.03320	1.7
133.02867	1.6
135.00702	1.4
137.02339	10.5
139.00261	12.6
139.03909	3.6
141.01923	1.6
142.24211	1.5
145.02843	1.6
147.00763	2.1
147.04364	1.8
148.01588	1.8
149.02345	5.4
151.00275	66.7
151.03893	1.8
152.00911	2.5
153.01857	11.6
154.99796	5.4
157.01308	1.4
159.04385	2.2
161.02345	2.1
163.00316	10.7
164.01031	2.0
165.01901	3.3
165.98903	1.6
166.99789	9.0
169.01363	12.5
171.04608	1.9
173.06076	2.6
174.03133	1.8
175.00296	3.5
175.02397	1.7
175.03836	4.3
178.98204	2.7
178.99782	54.0
180.00188	3.3
181.01289	3.9
183.04440	2.7
187.03944	6.0
189.01807	2.5
190.02394	1.3
190.99774	2.4
191.03261	2.2
192.00490	2.1
193.01401	7.6
193.03485	12.2
194.99254	6.8
199.02368	1.5
199.03992	4.3
201.01857	2.7
201.05571	2.4
203.03430	4.2
203.67810	1.4
205.01393	1.9
206.99298	4.3
208.00047	2.0
209.00868	19.5
213.01962	2.1
215.03448	4.7
217.04900	4.1
219.02928	2.4
227.03462	5.3
229.05092	1.8
231.02901	4.1
233.04459	4.6
235.02457	2.6
243.02982	8.2
244.03673	1.7
245.04388	6.8
255.02921	7.1
256.03513	2.0
259.02545	3.9
261.04083	5.2
262.04337	1.8
264.37683	1.4
271.02411	14.3
272.03061	2.6
273.04065	9.3
275.01990	2.0
283.02484	2.4
287.02051	9.0
288.02353	2.9
289.03595	8.6
299.01910	9.9
300.02579	1.8
301.03513	100.0
302.03845	11.1
305.02762	1.6
307.04456	1.6
315.01428	18.4
316.02106	11.2
317.03006	89.2
318.03366	7.2
325.03317	1.6
331.00952	4.5
332.01428	3.6
333.02521	28.8
334.02927	6.6
335.03821	1.6
349.01947	3.2
351.03159	1.8
352.04709	1.6
385.04007	3.7
401.03497	1.7
477.06775	55.4
478.07254	4.8
479.06961	2.2
483.07642	2.5
493.06213	37.8
494.06534	4.3
495.06927	2.7
509.06195	9.6
510.06128	4.2
511.06726	3.8
527.06342	6.9
579.01630	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1004.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
71.00894	1.2
71.01254	15.6
71.58067	1.1
72.99188	1.6
73.02795	4.5
75.00739	6.7
83.01252	1.6
85.02820	11.2
85.99989	0.9
87.00745	6.5
87.04391	1.3
88.98663	1.4
89.02306	4.7
95.01265	2.9
98.20415	1.1
99.00755	8.6
101.02331	5.0
101.96970	0.8
103.03895	1.2
113.02338	8.1
115.03910	1.8
119.03421	1.1
131.03398	3.7
139.00250	1.6
143.03456	4.0
149.57350	0.9
157.01352	1.0
179.87495	0.7
180.26874	0.9
205.07080	2.3
328.04074	0.8
342.44049	0.9
941.51184	100.0
942.51660	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.5854
Annotation	Unknow
Peak:m/z	Relative Intensity
70.35591	4.3
71.01256	24.5
71.04880	1.9
72.99178	2.8
73.02820	4.9
75.00713	0.9
80.02544	5.9
81.03329	7.9
83.01257	4.1
83.04895	15.8
84.02053	5.7
84.77737	1.1
85.02817	7.2
87.00747	5.5
89.02320	23.6
93.03322	1.0
95.01247	2.1
95.04887	2.0
97.02824	5.6
97.06480	5.9
99.00779	1.8
99.08031	3.3
101.01694	1.6
101.02324	24.7
105.78835	1.0
109.06477	2.7
111.04452	1.1
111.08035	1.2
113.02328	12.2
113.09608	1.9
115.07565	1.7
119.03381	7.8
119.08557	2.3
123.04420	3.1
123.08044	2.7
125.02340	10.7
125.09612	5.0
127.11194	4.3
133.05016	1.7
135.08006	2.1
135.13634	1.0
137.02408	1.0
137.09621	63.9
138.09959	1.6
139.11151	3.7
142.02635	1.6
142.49490	0.9
143.03381	3.5
149.04430	1.4
151.11174	4.8
153.09137	7.3
154.09932	1.1
155.10690	30.2
157.67628	0.9
161.04468	6.0
165.12805	1.4
167.10715	2.4
169.12157	1.4
171.10191	67.0
172.10506	3.4
175.11119	1.5
177.12830	1.5
179.05554	4.6
185.11809	2.1
193.12277	16.2
209.11794	3.4
211.13304	3.8
217.06963	1.2
221.11801	2.1
223.92818	1.0
235.08194	12.0
239.12730	1.7
247.20602	7.6
253.09253	3.1
261.98456	1.2
263.20154	5.6
265.21646	3.2
277.09360	1.3
277.21725	63.6
278.21960	3.8
281.21173	2.0
287.07718	3.6
291.19656	63.5
292.19986	3.3
305.08768	5.1
309.20715	22.2
310.21091	1.4
325.23935	1.3
327.21716	3.8
373.81122	1.1
379.12070	1.4
386.81479	1.1
397.13498	100.0
398.13879	5.8
415.14563	35.7
416.14847	2.7
562.94678	1.0
675.36017	2.9
914.61285	1.3
962.49896	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.5689
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33878	2.3
69.34309	1.8
71.01256	12.2
72.99203	0.8
73.02822	1.4
74.61879	0.4
75.00750	0.5
81.03323	0.8
83.01253	1.1
83.04904	0.7
84.02058	0.8
85.02824	7.5
87.00757	2.0
89.02317	10.0
95.01275	1.2
95.04896	0.5
96.95901	4.5
97.02811	2.4
97.06477	2.8
98.95496	1.0
99.00747	0.9
101.01699	0.7
101.02327	8.4
109.92500	0.4
111.08013	0.4
113.02322	4.2
119.03397	2.5
121.02788	0.6
125.02337	4.6
125.09634	0.8
127.11182	1.9
131.03366	0.8
137.09624	1.9
143.03432	1.9
155.10698	1.1
161.04469	1.8
163.11179	0.4
167.03401	0.6
167.10739	0.6
167.14392	1.1
169.01292	0.8
171.10181	16.2
177.01852	0.5
177.12798	1.0
179.05531	4.2
183.13832	2.7
185.04478	0.8
185.11722	1.0
193.12323	0.9
195.13844	5.5
197.11848	0.5
201.11269	0.5
203.10634	0.5
209.11786	1.9
211.13332	14.2
221.06621	1.3
221.11681	3.0
223.13329	3.8
229.14412	11.6
230.14584	0.5
235.08174	3.6
239.12845	2.1
247.20639	0.6
253.09238	1.0
265.21606	0.5
275.20212	3.2
287.07632	0.6
291.19678	4.5
293.21222	54.1
294.21567	2.4
305.08746	1.4
307.19659	0.4
309.20743	8.4
310.20935	1.0
323.09802	0.6
327.21753	100.0
328.22049	6.2
349.58591	0.5
379.12314	0.8
397.13489	27.7
398.13821	0.9
415.09006	1.0
415.14560	20.4
416.14966	0.7
603.43060	3.1
654.25604	0.6
691.35541	3.2
692.35815	0.6
707.35083	4.5
708.34973	0.7
725.35834	3.9
726.36346	0.7
781.62012	0.5
851.88782	0.4
1001.55463	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
69.78815	1.7
76.92570	0.3
83.01261	1.1
83.04918	0.5
87.00763	0.7
92.20763	0.3
93.03317	1.4
107.01274	2.6
109.02824	0.8
114.15475	0.3
117.03316	1.4
121.06489	0.6
123.08029	1.9
125.02335	0.4
127.68051	0.2
131.04938	0.3
133.02834	0.4
135.00754	0.6
143.04939	0.9
145.06511	0.4
147.00783	0.7
151.00275	6.5
154.04175	0.7
155.04872	0.8
157.06482	0.5
159.04404	1.5
163.00340	1.7
163.01430	0.3
164.00990	0.4
165.01761	0.4
167.04871	0.6
169.01405	0.7
169.06459	1.6
171.04396	0.8
171.11728	1.2
173.02354	0.6
173.06055	0.4
178.99814	0.8
182.03687	0.4
182.87947	0.3
183.04440	5.0
185.02345	0.5
185.05989	1.6
187.03902	2.2
189.05487	0.9
189.12808	0.5
189.43886	0.3
195.04503	0.5
197.05988	0.8
198.03053	0.5
199.03938	1.0
201.05519	0.3
211.03928	3.4
212.04327	0.3
213.05511	2.4
214.02597	0.7
215.03474	0.4
223.03908	0.3
227.03452	21.1
228.03889	0.9
229.05016	6.1
237.14912	1.3
239.03365	1.3
241.04970	1.3
243.02937	0.9
255.02971	79.2
256.03482	5.7
257.04532	4.2
267.02966	0.8
268.03781	0.6
269.04581	2.0
281.13950	0.8
283.02478	64.1
284.03241	43.2
285.04031	74.7
286.04367	3.9
297.03839	0.4
309.04007	0.4
310.11685	0.3
327.05075	0.6
329.50656	0.3
401.08380	0.4
429.08304	1.8
430.09082	6.4
431.09793	6.0
476.70313	0.4
575.14044	8.8
576.14093	0.6
593.15302	2.8
594.15588	0.4
721.19739	0.8
739.20538	0.7
857.28723	100.0
858.29041	17.2
960.15985	0.3
1003.34338	12.9
1004.34943	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	997.6244
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07040	0.6
69.33410	2.0
69.33844	1.9
71.07372	5.4
79.05500	0.8
81.07056	2.5
82.00886	0.4
86.09705	47.4
87.09996	0.5
93.07040	1.0
95.08609	1.7
98.98479	3.1
104.10744	100.0
107.08568	0.5
109.10218	0.5
113.28489	0.4
123.11655	0.4
123.50530	0.4
125.00008	26.5
163.01547	0.7
184.07343	96.9
185.07701	0.5
258.11105	1.1
306.65909	0.4
337.27402	0.8
350.85876	0.4
373.70267	0.5
502.32944	9.9
505.39005	0.7
520.34003	91.0
521.34509	3.1
828.73004	0.4
834.24860	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.439
Annotation	Unknow
Peak:m/z	Relative Intensity
69.88744	2.2
75.93920	0.5
91.47991	0.5
93.03347	0.8
107.01245	1.6
117.03330	1.4
125.02259	0.5
151.00232	3.4
154.04166	0.8
159.04353	1.4
163.00285	1.3
164.00955	0.7
167.04951	0.7
168.90504	0.5
169.01286	0.8
169.06529	1.4
171.04341	0.9
173.02380	0.5
183.01131	0.9
183.04436	3.7
185.05945	2.1
187.03918	1.3
189.05484	1.2
198.03104	0.7
199.03827	0.9
211.03975	3.5
213.05470	1.1
215.03279	0.6
217.93285	0.5
226.02615	0.6
227.03464	21.8
227.05750	1.2
228.03844	1.1
229.05035	3.6
239.03331	1.0
241.05109	0.6
243.02985	0.7
255.02975	62.4
256.03485	4.5
257.04562	3.1
277.21530	0.6
283.02481	43.4
284.03256	56.2
285.04022	53.3
286.04367	2.3
325.18417	2.1
327.05072	1.7
451.35690	0.6
593.15100	100.0
594.15393	6.9
692.32465	0.9
693.32654	2.5
1001.43951	21.5
1002.43542	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	997.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03430	0.9
69.07059	2.5
69.35664	4.0
69.36085	1.9
79.05492	7.5
81.03406	1.3
81.07061	8.0
83.04966	1.8
83.08604	1.3
85.02895	1.6
91.05478	5.5
93.03417	1.3
93.07048	8.4
95.04955	1.9
95.08601	6.1
97.02905	1.2
97.06503	0.9
97.10151	0.6
98.83591	0.6
103.05461	1.4
105.07003	3.2
107.04967	1.3
107.08603	3.5
109.06527	0.6
109.10168	2.8
111.04443	6.1
115.05488	1.3
117.07003	1.6
119.08588	1.9
121.02862	1.7
121.06488	1.2
121.10148	2.6
123.04446	6.0
127.03932	1.9
129.06978	1.1
131.04942	1.5
131.08565	1.6
133.10109	2.0
135.04433	3.8
135.11716	1.5
137.05969	1.0
139.03905	100.0
140.04269	1.0
140.77718	0.7
141.05455	1.2
141.06995	1.2
145.06523	1.4
145.67000	0.5
147.04379	1.4
149.04973	0.6
149.05954	3.8
151.03891	9.8
153.05524	1.3
153.07037	0.9
155.08553	0.9
157.06511	1.1
159.11716	0.8
161.05969	4.7
161.13269	0.8
163.03908	46.8
165.05511	1.5
165.06956	0.8
165.73497	0.6
167.08560	1.6
169.06517	0.9
173.05981	16.7
175.03940	1.6
175.07564	1.6
177.05463	8.3
177.09261	0.6
179.03470	0.9
179.07037	0.6
179.08516	1.0
181.04964	5.5
181.06506	2.3
183.08063	0.8
185.05989	1.3
187.03941	1.7
187.07544	6.9
189.05487	2.2
191.07042	0.9
193.04912	0.8
195.08064	1.7
195.58478	0.6
197.05981	1.8
199.07581	6.6
200.04642	0.7
201.05457	3.2
201.09105	2.0
205.04962	12.2
207.08063	1.1
209.06075	0.7
210.06837	0.8
211.05603	0.8
211.07506	4.1
213.05505	1.4
213.09111	3.5
215.06999	0.9
217.05002	1.2
219.06462	0.9
223.07596	1.4
225.09097	1.1
227.10683	0.9
229.04997	3.8
229.08487	0.7
231.08017	0.6
235.05948	3.4
237.09250	0.8
247.06065	2.5
251.07167	0.7
251.14137	0.6
259.20651	1.0
261.21915	2.8
265.07150	2.0
267.13626	1.2
269.15143	1.0
276.90872	0.7
283.05707	0.6
283.08344	4.6
285.14911	1.3
287.16504	1.2
291.13812	0.9
293.14871	0.6
295.06073	2.0
297.14832	1.3
301.09189	8.6
308.06979	0.8
309.07513	0.9
315.15897	5.7
321.07443	1.3
325.14383	0.9
327.15979	2.3
333.24408	0.7
335.09192	0.7
335.25858	16.3
339.15967	2.7
345.07651	0.9
359.18680	3.0
363.15652	0.8
389.19656	3.1
401.19452	1.8
413.19427	0.7
421.16531	2.9
447.18063	5.4
465.19064	2.9
471.17596	1.1
489.19656	0.8
521.21515	1.0
539.22919	1.9
619.39880	1.4
649.40619	2.4
661.40942	1.0
673.41333	1.3
677.40277	0.9
773.42108	1.2
799.43982	2.1
817.44751	1.1
827.71228	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03428	0.6
69.07059	2.3
71.20293	1.0
77.75677	0.4
79.05487	6.1
81.03412	0.9
81.07054	7.2
81.66499	0.4
83.04980	2.2
83.08607	1.0
85.02913	1.2
91.05474	4.6
93.03389	1.4
93.07025	6.2
95.04964	1.9
95.08602	6.4
97.02916	1.6
97.10156	0.7
103.05447	0.7
105.07020	2.2
107.04924	0.8
107.08559	2.6
109.06522	0.9
109.10156	1.9
111.00790	0.6
111.04440	5.6
111.08068	0.7
115.05435	1.0
116.15347	0.4
117.07009	1.1
119.08588	1.8
121.02878	1.2
121.06469	0.6
121.10130	1.9
123.04413	3.8
123.11713	0.8
127.03903	2.1
129.07042	1.3
131.08572	2.1
132.40501	0.5
133.06480	0.7
133.10129	1.9
134.80942	0.4
135.04391	2.7
135.11705	1.6
137.05988	0.9
137.48030	0.5
139.03899	100.0
140.04245	1.6
141.05466	1.1
145.06490	0.8
145.10144	0.6
147.04410	1.3
147.11676	0.9
149.06004	2.9
149.13266	0.9
151.03888	8.4
153.05444	1.1
153.06979	0.9
155.04878	0.7
155.08545	0.9
157.06473	1.1
159.04459	0.5
159.11639	0.8
161.05994	5.0
163.03905	32.0
165.05470	1.2
165.06970	1.0
167.03377	0.5
167.08627	0.8
169.05075	0.5
169.06480	1.0
171.08054	0.6
173.05986	9.7
175.03871	1.4
175.07558	1.6
177.05472	5.6
179.03381	1.7
181.04964	4.5
181.06519	1.4
183.08025	0.5
185.05977	0.9
187.03897	2.0
187.07481	5.4
189.05444	2.1
191.07056	0.7
193.04922	0.8
195.08086	1.0
197.05995	1.6
199.07538	4.4
201.05457	2.6
201.09108	2.1
203.07071	0.7
205.04955	12.6
207.08072	0.7
211.07529	2.6
213.05473	1.3
213.09090	3.4
215.07057	1.1
217.05026	1.7
223.07564	1.5
224.08217	0.6
225.09145	1.2
225.12451	0.5
227.06995	1.7
229.04993	2.6
235.05870	2.2
237.09131	1.1
247.05872	2.9
259.20612	0.8
261.22211	1.7
265.07016	1.8
267.06830	0.6
267.13916	0.7
279.13907	0.7
283.08145	5.4
285.14798	1.0
289.14240	0.5
295.05933	1.0
297.14783	1.3
299.16418	0.9
301.09152	9.2
303.06592	0.8
308.06934	0.7
309.07516	1.0
309.14743	0.9
313.07117	1.1
315.15851	5.7
321.14774	0.8
323.09125	0.8
323.16382	0.5
325.14362	1.1
327.15863	2.6
333.24341	1.0
335.09222	0.8
335.25797	16.1
339.15921	3.1
341.17331	0.9
359.18491	1.4
389.19733	2.2
399.17612	0.5
401.19528	0.7
413.19684	0.6
421.16336	2.7
447.18030	5.1
465.19214	3.4
465.25430	0.6
495.20001	0.6
503.20752	0.6
521.21558	0.8
539.22449	1.7
619.39526	0.6
649.41241	2.9
661.40741	1.9
673.41412	0.8
677.40155	0.8
679.42358	0.8
691.41901	0.9
773.41833	1.2
799.44281	2.3
817.44226	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03421	0.6
69.07066	2.0
69.35339	0.4
71.04980	0.4
73.39790	0.5
79.05492	5.7
81.03410	0.7
81.07061	7.7
83.04976	1.5
83.08611	1.2
85.02906	1.0
91.05476	4.7
93.03403	1.0
93.07030	5.8
95.04940	2.1
95.08601	5.5
97.02880	1.1
97.10148	0.8
103.05473	0.5
105.07027	2.7
107.04916	0.9
107.08589	2.9
109.06528	0.6
109.10138	2.2
111.04437	4.9
115.05470	0.9
117.06990	1.1
119.08580	2.1
121.02867	0.9
121.06489	0.9
121.10141	2.2
123.04433	4.0
123.05238	0.6
123.08047	0.6
127.03922	1.4
129.07013	0.8
130.07790	0.4
131.04918	1.1
131.08554	1.1
133.06520	0.5
133.10167	1.1
135.04395	3.1
135.11676	1.2
137.05998	0.5
139.03896	100.0
140.04240	1.7
141.05496	0.6
141.06992	0.8
145.06447	1.0
145.10133	0.9
147.04407	1.4
147.11693	0.6
147.54865	0.5
149.02361	0.6
149.05981	2.5
149.13345	0.7
151.03903	6.2
152.06169	0.4
153.01796	0.6
153.05431	1.2
153.06938	0.8
157.06496	0.7
159.11685	0.8
161.05959	4.7
161.13307	0.8
163.03903	32.4
164.04247	0.4
165.05446	1.5
165.06860	0.7
167.08597	0.6
169.06474	0.8
173.05974	10.5
173.13268	1.0
174.57466	0.5
175.03896	1.1
175.07579	1.4
177.05475	5.0
179.03394	1.8
179.06973	0.7
179.08545	0.7
181.04956	5.4
181.06500	1.3
183.08023	0.6
185.05946	0.7
187.03906	1.4
187.07544	5.6
189.05490	2.2
191.07030	0.5
195.08072	1.1
197.06006	1.5
198.06709	0.7
199.07558	4.6
201.05476	2.6
201.09125	1.8
203.07030	0.8
205.04968	12.8
210.06860	0.5
211.07545	3.0
213.05496	1.5
213.09030	2.2
214.06349	0.4
215.07074	1.0
217.05060	1.2
219.06425	0.7
221.06018	0.5
221.09648	0.5
223.07544	1.3
224.08063	0.4
225.09172	1.2
227.07001	1.3
227.10664	0.7
229.05035	2.2
229.08601	0.9
235.05898	2.4
237.09111	1.2
243.21303	0.7
244.40804	0.5
247.05914	3.0
249.09244	0.5
249.12793	0.6
252.59680	0.4
259.20560	0.7
261.22009	2.1
265.07104	1.7
267.06714	0.5
267.13837	0.7
283.05594	0.6
283.08167	4.9
285.14890	0.7
287.16467	0.7
293.15109	0.8
295.06036	1.6
297.14719	0.9
301.09167	9.1
309.07458	1.0
313.07181	1.0
315.15869	5.4
321.07666	0.8
323.16342	0.8
325.14420	1.0
327.15897	2.6
333.24316	0.8
335.09204	0.9
335.25763	16.1
336.26117	0.8
339.15851	3.1
359.18677	1.4
387.18036	0.6
389.19714	3.1
399.18304	0.6
401.19888	1.0
421.16483	2.3
447.18039	5.4
465.18896	2.5
503.20532	0.5
521.21448	1.6
539.22754	2.2
619.40094	0.6
629.37952	0.4
631.39600	0.6
647.39423	0.6
649.41016	2.8
661.40894	1.7
667.42505	0.5
673.40448	1.1
677.39752	0.7
773.42346	1.0
799.44128	2.6
817.45007	1.9
898.41779	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03431	1.4
69.07052	2.8
69.25251	4.2
69.25682	3.6
71.04989	0.7
79.05493	9.6
81.03418	1.7
81.07051	9.7
83.04984	3.2
83.08614	1.4
85.02903	1.6
85.15878	0.7
91.05479	10.2
93.03410	1.5
93.07037	6.5
95.04980	3.3
95.08598	7.2
97.02875	2.9
97.10177	0.8
103.05446	1.8
105.07023	8.6
107.04965	1.3
107.08588	4.8
109.02834	0.9
109.06495	1.5
109.10152	3.9
111.04443	5.5
115.05455	2.2
117.06974	3.5
119.08562	5.3
121.02866	2.2
121.06474	1.4
121.10126	4.1
123.04417	5.6
123.08064	1.2
125.09648	0.8
127.03906	2.2
128.06232	1.3
129.06996	2.8
131.04951	2.0
131.08569	3.5
133.06511	1.0
133.10120	4.7
135.04420	2.6
135.08054	1.1
135.11664	1.6
137.05919	1.5
139.03900	100.0
140.04240	1.0
141.05447	1.6
141.06990	1.6
143.04865	0.8
143.08650	1.1
145.06500	1.7
145.10141	3.2
147.04422	2.8
147.11694	3.2
149.05971	3.0
149.13242	1.1
151.03905	27.7
151.05127	1.3
153.05475	9.3
153.06937	2.0
155.08574	1.0
157.06461	1.1
157.10172	1.0
159.11690	2.8
159.58888	0.7
161.06000	8.8
161.13237	2.2
163.02536	1.5
163.03909	29.8
163.07550	1.6
165.05493	3.9
165.06929	1.6
167.07045	0.7
167.08595	1.7
169.06514	1.9
169.10167	0.7
171.08023	0.9
171.11702	1.2
173.05977	13.4
173.13277	1.3
175.03946	3.1
175.07523	3.2
177.05482	8.4
179.03450	1.2
179.07043	3.6
179.08455	0.9
181.04956	5.3
181.06480	1.9
181.10091	0.9
183.08084	1.2
185.05983	1.7
185.13287	1.2
186.06726	0.7
187.03996	1.7
187.07536	8.2
189.05388	5.0
189.09187	1.0
191.07063	2.4
193.04948	1.1
193.06760	0.8
193.08632	2.7
195.08020	2.3
197.06001	2.4
199.07542	5.9
200.04671	1.5
201.05467	3.3
201.09088	3.5
203.06984	2.5
205.04974	8.9
205.08603	1.3
207.08109	0.8
211.07590	3.3
212.75603	0.8
213.05469	3.5
213.09134	3.6
215.06999	2.7
217.05019	2.2
217.08617	2.0
219.10162	11.3
221.09734	1.1
221.11685	1.1
223.07674	1.8
225.09099	2.5
227.07059	2.2
227.10713	0.8
229.05014	2.2
231.10156	2.1
233.09702	0.9
235.06032	2.4
237.09178	1.6
239.07082	1.2
241.19615	1.8
243.10156	1.2
247.06017	1.6
247.13396	1.0
249.12657	0.7
253.08458	0.8
254.33313	0.8
255.06525	0.9
257.19025	1.6
259.20642	4.8
265.06955	1.1
265.12216	1.0
267.13797	1.3
279.13895	1.3
283.08130	5.8
285.11386	1.3
285.14774	1.3
287.16318	0.8
295.05966	1.6
297.14911	2.5
299.16440	1.6
301.09244	7.5
313.14426	1.1
315.15967	6.3
321.15030	0.8
325.14404	2.7
327.15860	2.5
333.24295	4.6
335.09274	1.3
335.25809	1.6
339.15982	2.9
389.19757	2.0
401.19675	1.1
409.23315	0.9
419.20630	1.0
421.24225	1.1
445.16385	1.3
447.18127	2.2
447.25174	0.9
462.73788	0.7
463.17535	1.7
465.19098	1.5
545.24963	1.1
641.37512	0.8
647.39777	2.0
659.39362	2.5
675.31274	1.3
677.40540	1.7
689.40363	1.1
693.31958	1.8
705.37634	1.3
771.40796	2.7
779.39752	0.8
787.43085	0.9
797.42493	8.9
815.43634	10.8
881.44983	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6044
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07069	11.9
71.08611	1.7
79.05064	3.3
79.05498	44.5
81.03400	3.2
81.07058	34.2
83.05009	2.4
83.05479	1.6
83.08617	7.8
85.02901	10.3
87.26827	1.5
91.03951	7.1
91.05483	43.9
92.05799	1.6
93.07043	40.6
95.04959	9.2
95.08615	35.1
97.02898	7.5
97.06536	3.8
97.10168	2.6
105.07031	41.3
107.08601	18.7
109.06544	2.8
109.10156	10.0
111.08075	2.9
115.05505	2.1
117.07024	17.5
119.08585	28.7
120.14315	1.6
121.10149	14.0
123.11690	3.0
125.09604	2.3
127.03905	3.9
128.06239	5.0
129.07030	16.9
131.08565	25.6
133.10118	19.9
135.11670	8.8
139.11186	2.5
141.07021	5.1
142.07774	3.3
143.08549	16.3
145.04958	2.4
145.10121	23.3
147.11700	11.2
149.13287	5.0
153.06908	2.2
155.08582	12.3
157.10121	17.7
159.11685	18.3
161.13263	7.7
167.08574	5.8
169.10121	11.9
171.11662	17.8
173.13249	6.5
175.14905	3.0
181.10135	5.0
183.11766	10.9
185.13223	9.8
187.14857	5.5
189.16386	2.5
193.10176	2.6
195.11720	6.2
197.13295	12.2
199.14880	4.4
201.16449	3.0
207.11757	2.0
209.13298	6.7
211.14835	5.1
213.16389	5.2
219.11772	1.9
221.13243	2.3
223.14900	5.1
225.16414	2.8
227.18044	2.5
229.19598	2.2
235.14807	2.7
237.16455	3.9
239.17947	2.9
241.19708	2.0
253.19525	2.1
257.18939	4.9
259.20532	4.4
331.22723	2.1
333.24280	4.3
335.25980	2.3
337.25027	2.3
517.40472	10.7
527.37482	2.4
535.41315	6.6
548.27362	2.0
591.44244	10.0
609.45142	100.0
610.45441	6.4
693.46936	2.4
771.49988	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	991.5596
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	1.7
69.32905	0.3
70.78026	0.3
71.04989	0.3
72.81751	0.3
73.02914	1.7
79.05486	1.8
80.01382	0.3
81.03419	1.3
81.07062	1.8
85.02905	3.1
87.04481	0.6
91.03958	2.0
91.05478	2.0
93.07050	2.1
95.04987	0.6
95.08621	1.2
97.02892	3.0
98.20721	0.7
99.04465	0.6
101.02393	1.2
105.07023	1.7
107.08604	1.0
109.02915	0.5
109.10185	0.3
117.06981	0.4
119.08601	1.2
121.10189	0.8
127.03910	1.0
127.47288	0.3
129.06996	0.4
129.11571	0.3
130.54919	0.3
131.08618	0.5
132.58446	0.3
133.10168	0.9
135.11685	0.4
145.10133	0.5
147.11707	0.8
159.11778	0.3
161.13249	0.5
173.13333	0.4
185.04277	1.1
201.03723	0.8
203.05275	0.6
229.48334	0.4
243.08336	1.8
259.08115	0.5
275.07181	0.4
279.71179	0.3
301.09061	1.1
313.09018	0.4
315.10623	0.4
317.20624	0.5
319.10233	0.3
341.12286	0.4
347.09485	3.1
363.09085	1.2
365.10730	0.7
373.11322	0.4
397.18503	0.5
405.13654	5.7
415.44052	0.3
437.22113	0.4
463.14346	1.4
465.21228	0.8
475.14560	0.4
477.15823	0.7
495.22525	0.4
503.17380	0.3
528.77991	0.3
535.28772	4.9
536.29419	0.4
545.22864	0.4
599.13727	0.3
599.25140	0.4
627.26178	0.7
657.28278	0.4
659.87457	0.4
687.28680	0.6
697.34021	8.8
698.34320	0.4
769.36047	0.8
829.51080	1.0
853.44867	0.4
991.55969	100.0
992.56305	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	984.5884
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07066	22.9
71.58382	3.4
76.01257	2.8
79.05495	43.2
79.61316	3.3
81.03384	4.1
81.07057	50.5
83.04984	3.4
83.08628	6.4
91.05479	71.5
93.07042	46.1
95.01348	3.2
95.04966	12.2
95.08601	30.2
97.06535	14.7
97.10156	3.2
105.07031	84.4
107.04956	14.0
107.08607	25.0
109.10157	11.2
111.08080	3.8
115.05445	5.0
117.07037	16.2
119.08587	42.0
121.10141	12.9
123.08059	4.1
129.07001	8.7
131.08568	20.4
133.10124	43.9
135.11685	12.5
143.08575	10.1
145.10132	24.3
147.11716	20.6
149.09595	3.9
149.13243	6.3
155.08603	3.9
157.10223	5.4
159.11684	16.8
161.13217	12.6
163.11247	6.0
169.10179	5.5
171.11684	9.8
173.13277	4.9
175.14851	3.5
179.14325	11.5
185.13313	5.9
187.11139	4.7
199.14906	9.0
229.19565	3.3
235.21242	3.9
241.19479	16.8
248.16681	3.8
257.19104	6.6
259.20627	19.4
275.20047	46.1
277.54260	3.3
292.44522	3.2
315.23267	10.0
333.24252	48.1
345.89120	3.3
349.23697	41.1
424.18265	3.8
607.43616	100.0
608.44019	7.2
625.44568	12.0
852.86572	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	984.5885
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	9.1
69.07063	27.7
71.59442	2.8
79.05492	46.7
80.31573	2.0
81.03397	7.8
81.07057	49.6
83.04986	6.2
83.08618	12.2
85.02894	6.3
91.05479	24.4
93.07041	39.9
95.04971	9.7
95.08604	36.9
97.02888	12.3
97.06505	3.7
97.10155	13.4
105.07030	16.0
107.04970	7.7
107.08591	24.9
109.06509	2.6
109.10152	14.5
117.06995	8.8
119.08579	19.0
121.06503	3.4
121.10172	17.5
123.08028	4.5
125.09627	9.1
129.06999	6.0
131.08528	11.6
133.10135	11.0
135.08073	3.4
135.11667	8.0
137.09573	4.9
142.07675	2.2
143.08492	2.4
145.10114	7.9
147.11685	6.7
149.13277	4.6
157.10085	2.4
159.11697	4.5
161.13246	2.5
163.14949	3.0
173.13290	2.5
189.11172	5.3
223.13280	18.9
227.12775	3.0
243.21056	3.2
248.17416	2.3
249.14954	4.0
261.22125	7.7
273.18411	11.6
291.19525	99.2
317.24615	2.4
335.25793	61.7
336.26294	2.4
365.23224	39.2
545.38251	4.8
625.44629	100.0
626.44733	4.0
960.34399	2.8
1003.96521	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	970.6138
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07050	4.3
71.58344	4.4
71.58854	7.9
73.02914	4.1
79.05479	19.5
81.07061	17.9
85.02904	7.7
91.03951	8.1
91.05463	19.0
93.07040	22.0
95.08593	17.6
105.07014	17.3
107.08559	10.1
109.10149	11.3
117.06967	5.0
119.08596	9.0
121.10116	11.2
133.10147	10.2
135.11638	6.4
145.10168	7.4
147.11682	10.1
157.10065	4.5
159.11717	5.0
173.13303	6.3
185.12982	4.0
199.20282	4.2
259.20630	9.4
277.21732	7.9
335.25839	52.8
351.25278	18.7
390.46552	4.5
405.13486	5.6
611.46405	21.9
660.35077	5.1
676.78784	4.7
969.56830	5.2
970.57831	100.0
971.57953	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	975.5435
Annotation	Unknow
Peak:m/z	Relative Intensity
70.09169	7.0
70.26855	1.2
82.30552	1.2
98.20867	1.9
125.54559	1.6
136.10236	1.7
191.97295	1.4
356.35803	1.6
357.55011	1.6
391.29092	1.5
552.30365	1.7
975.54376	100.0
976.54456	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	979.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
70.74700	2.3
70.75060	1.7
75.47357	0.9
82.95356	1.0
93.22294	1.0
137.02405	1.1
139.03864	1.4
140.04205	1.0
153.01831	1.5
199.02007	4.4
222.09438	1.0
229.04955	2.7
245.49890	1.2
257.04593	1.2
258.83173	0.9
287.04031	3.5
303.04193	1.0
305.04901	2.3
315.03555	2.1
325.03156	78.2
326.03418	2.6
332.03903	1.7
333.04752	2.6
343.03015	5.1
361.04025	59.9
362.04245	2.9
366.05719	3.4
379.05075	27.3
380.05295	1.6
384.05652	3.1
398.52524	1.0
433.03986	1.4
453.02927	1.0
461.03632	1.2
490.03745	3.0
495.04071	3.7
501.06393	75.2
502.06943	1.5
519.04327	1.6
553.06091	1.3
571.07013	2.3
581.05493	1.3
598.06018	2.5
599.05621	2.3
617.07428	1.3
627.06140	100.0
628.06360	7.2
645.07178	51.7
646.07422	2.3
668.08655	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	959.5697
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05514	2.6
69.03441	1.8
71.58891	3.0
73.02924	4.2
77.13514	1.5
77.57577	1.6
81.07059	4.3
85.02920	5.4
90.67908	1.5
91.03961	3.6
93.07060	1.7
93.77321	1.6
95.08601	2.2
97.02901	5.1
99.77896	1.5
127.03936	3.2
131.08545	1.9
132.64034	1.7
132.66385	1.5
136.82668	1.5
141.77849	1.7
226.19505	1.8
328.78491	1.6
347.09756	2.1
405.13690	7.9
471.51929	1.7
519.29364	10.8
681.34662	12.8
959.56921	100.0
960.55804	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	964.6201
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	59.9
69.03439	7.0
69.07059	28.1
70.90317	9.5
71.08639	30.8
79.05496	36.0
81.03408	10.1
81.07052	78.8
83.04961	12.6
83.08610	23.8
85.02893	12.7
85.06516	4.7
85.10159	18.5
89.73598	3.8
91.03940	5.7
91.05471	31.2
93.07050	45.3
95.04951	8.2
95.08605	47.1
97.02869	10.9
97.06512	10.4
97.10173	10.9
99.62096	4.6
105.07036	20.2
107.04957	6.8
107.08580	27.1
109.06482	7.6
109.10126	21.3
109.33054	4.3
111.08067	6.4
117.07002	10.4
117.20741	3.8
119.08566	13.1
121.06494	5.4
121.10110	12.9
123.11716	9.1
127.03881	4.4
131.08586	14.8
133.10144	11.4
135.11670	12.5
147.11731	8.9
149.09550	7.0
149.13213	12.5
157.10022	5.4
159.11684	12.1
173.13324	5.1
255.15897	10.7
257.19278	4.8
269.17447	45.1
275.19925	22.0
286.17947	4.0
313.27338	84.9
349.23743	23.2
389.64108	4.6
493.38651	20.7
507.40442	100.0
513.93237	4.9
522.03229	4.3
587.46759	29.8
605.47449	13.8
615.42157	5.8
710.54352	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	968.5426
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05177	3.1
67.05507	51.9
69.03423	8.2
69.07063	21.5
71.04989	4.5
75.46209	2.0
75.46669	2.1
79.05060	3.1
79.05493	42.9
81.03419	79.3
81.06580	3.1
81.07054	54.1
83.04987	13.8
83.08621	27.3
84.33888	1.8
85.02898	10.3
85.06540	4.5
91.03944	3.3
91.05480	41.1
93.06482	2.6
93.07041	43.5
95.04967	29.6
95.08606	27.1
97.02876	7.3
97.06547	12.6
97.10179	15.0
98.20740	4.4
99.08131	2.2
103.05428	2.1
105.07024	35.3
107.04952	11.6
107.08589	34.4
109.02834	2.9
109.06499	8.6
109.10163	14.9
111.04488	2.2
111.08080	9.8
113.09663	1.8
115.05447	2.3
117.07008	16.7
119.04956	3.6
119.08578	28.2
121.06509	5.8
121.10132	17.4
123.04361	2.3
123.08050	5.8
123.11670	3.6
125.09630	13.7
127.03910	3.1
128.06219	1.9
129.05464	2.3
129.07039	12.8
131.08566	26.6
133.06485	4.7
133.10114	20.4
135.08060	6.2
135.11700	12.3
137.09615	5.3
139.11174	2.1
141.06975	3.7
142.07822	2.9
143.08591	4.9
145.06505	5.8
145.10133	11.6
147.04408	2.3
147.08055	6.4
147.11691	17.0
149.09622	15.0
149.13258	7.0
151.11182	2.9
155.08553	4.2
157.10146	13.4
159.00829	2.2
159.08092	4.0
159.11650	9.0
161.09618	4.0
161.13290	2.4
163.11171	5.7
165.12663	2.3
169.10081	3.9
171.10188	2.9
171.11722	5.4
173.04494	2.7
173.09578	2.6
173.13245	3.3
175.11215	9.8
177.12785	3.3
183.11722	5.1
185.13205	3.3
187.03676	1.9
187.11150	3.7
189.11201	8.7
189.12689	2.4
193.10518	3.2
193.12215	21.7
197.13298	3.8
211.13187	2.7
223.13196	2.9
227.12788	10.4
229.14383	4.4
239.17834	2.2
255.15898	9.3
257.19012	5.3
264.19022	2.1
267.15906	76.3
269.17493	25.6
273.18732	2.2
275.20090	23.2
291.19650	5.3
293.21213	2.9
299.20020	3.1
301.14160	4.3
309.17133	2.7
317.21045	2.2
349.23770	24.1
367.24905	3.4
369.24008	4.4
387.24832	2.8
421.25891	7.4
435.27637	3.2
443.27808	8.7
447.27454	31.0
449.30423	2.6
461.28983	100.0
462.29300	3.9
467.31149	4.0
475.30756	2.3
485.32977	2.0
493.31427	14.6
501.31824	2.8
503.30017	3.8
519.33154	2.7
523.34576	4.6
541.35291	75.7
542.35712	2.8
559.36230	29.1
569.31036	2.8
587.31580	3.3
591.37848	2.7
951.12109	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	959.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	15.1
69.03432	8.9
69.07066	11.4
71.01379	2.5
71.04980	3.0
71.58897	2.0
73.02917	13.8
75.04472	1.2
79.05494	11.9
79.66799	1.4
81.03413	4.7
81.07052	33.2
83.05006	1.5
83.08614	6.6
85.02901	69.6
87.04449	1.2
89.34526	1.2
91.03947	29.7
91.05467	9.4
91.98782	1.1
93.07042	27.7
95.01323	29.5
95.04946	2.0
95.08603	74.0
97.02287	2.1
97.02887	28.4
97.10183	4.1
99.00793	2.2
99.04459	3.3
99.08094	1.3
101.02365	2.3
103.03938	6.0
105.07020	25.4
105.07683	2.1
107.08588	44.7
107.09299	2.4
109.02863	2.9
109.06509	2.5
109.10150	55.3
111.08079	10.8
111.11742	2.0
113.02371	4.3
117.07027	2.4
119.08583	39.5
121.10139	40.7
123.08048	1.2
123.11710	16.7
125.09632	1.5
127.03911	18.9
129.07071	1.3
131.03410	3.0
131.08554	8.8
133.10132	39.8
135.11691	29.1
137.13280	5.1
139.11194	5.1
141.01822	85.1
143.08585	2.1
145.04959	32.3
145.10118	17.7
145.53523	1.2
147.11681	24.7
149.12067	1.2
149.13248	23.4
151.11206	3.2
151.14798	2.4
153.12817	1.5
157.10136	3.4
159.02890	14.2
159.11691	22.3
161.13254	28.9
163.06012	36.5
163.07381	1.9
163.11185	1.2
163.14825	23.3
165.12761	3.4
167.14307	2.2
171.11697	4.1
173.13226	15.6
175.14832	23.2
177.03955	4.9
177.12779	2.0
177.16376	19.6
177.25034	1.2
179.14520	1.2
185.13268	4.3
187.14812	16.9
189.16373	23.2
191.17947	11.9
193.15909	4.6
194.94060	1.2
195.17525	6.9
199.14838	5.3
201.16386	19.1
203.14227	1.4
203.17957	42.0
205.15919	8.3
205.19594	3.7
207.17433	10.8
211.14867	1.6
213.16388	5.0
215.17949	17.2
217.16011	2.7
217.19531	19.9
219.17433	11.6
221.18935	9.9
227.17969	5.1
229.19513	18.9
231.17540	2.9
231.21138	3.5
233.19000	10.5
235.20576	2.4
239.17955	1.5
241.19545	5.4
243.21152	6.8
245.18979	4.2
247.20538	14.1
253.19493	2.2
255.21062	5.2
257.22644	5.3
259.20758	1.5
261.22116	2.7
269.22650	4.4
271.24084	1.9
273.22241	2.3
275.23599	3.9
281.22751	1.4
283.24103	2.8
285.22119	1.8
287.23547	1.8
297.25739	2.8
301.25354	1.6
303.07370	1.4
311.27277	1.3
313.25287	2.1
315.26874	4.3
321.08072	2.9
329.28653	3.1
339.08960	1.9
351.30609	1.9
363.30258	1.5
365.31976	6.8
381.31915	1.4
383.33063	6.5
405.35175	16.9
411.36157	4.8
423.36191	100.0
424.36661	3.2
440.35947	2.5
441.37271	83.5
442.37628	1.6
581.38281	7.9
599.39453	17.0
612.33923	1.3
615.13275	1.2
644.91156	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	15.1
69.03432	8.9
69.07066	11.4
71.01379	2.5
71.04980	3.0
71.58897	2.0
73.02917	13.8
75.04472	1.2
79.05494	11.9
79.66799	1.4
81.03413	4.7
81.07052	33.2
83.05006	1.5
83.08614	6.6
85.02901	69.6
87.04449	1.2
89.34526	1.2
91.03947	29.7
91.05467	9.4
91.98782	1.1
93.07042	27.7
95.01323	29.5
95.04946	2.0
95.08603	74.0
97.02287	2.1
97.02887	28.4
97.10183	4.1
99.00793	2.2
99.04459	3.3
99.08094	1.3
101.02365	2.3
103.03938	6.0
105.07020	25.4
105.07683	2.1
107.08588	44.7
107.09299	2.4
109.02863	2.9
109.06509	2.5
109.10150	55.3
111.08079	10.8
111.11742	2.0
113.02371	4.3
117.07027	2.4
119.08583	39.5
121.10139	40.7
123.08048	1.2
123.11710	16.7
125.09632	1.5
127.03911	18.9
129.07071	1.3
131.03410	3.0
131.08554	8.8
133.10132	39.8
135.11691	29.1
137.13280	5.1
139.11194	5.1
141.01822	85.1
143.08585	2.1
145.04959	32.3
145.10118	17.7
145.53523	1.2
147.11681	24.7
149.12067	1.2
149.13248	23.4
151.11206	3.2
151.14798	2.4
153.12817	1.5
157.10136	3.4
159.02890	14.2
159.11691	22.3
161.13254	28.9
163.06012	36.5
163.07381	1.9
163.11185	1.2
163.14825	23.3
165.12761	3.4
167.14307	2.2
171.11697	4.1
173.13226	15.6
175.14832	23.2
177.03955	4.9
177.12779	2.0
177.16376	19.6
177.25034	1.2
179.14520	1.2
185.13268	4.3
187.14812	16.9
189.16373	23.2
191.17947	11.9
193.15909	4.6
194.94060	1.2
195.17525	6.9
199.14838	5.3
201.16386	19.1
203.14227	1.4
203.17957	42.0
205.15919	8.3
205.19594	3.7
207.17433	10.8
211.14867	1.6
213.16388	5.0
215.17949	17.2
217.16011	2.7
217.19531	19.9
219.17433	11.6
221.18935	9.9
227.17969	5.1
229.19513	18.9
231.17540	2.9
231.21138	3.5
233.19000	10.5
235.20576	2.4
239.17955	1.5
241.19545	5.4
243.21152	6.8
245.18979	4.2
247.20538	14.1
253.19493	2.2
255.21062	5.2
257.22644	5.3
259.20758	1.5
261.22116	2.7
269.22650	4.4
271.24084	1.9
273.22241	2.3
275.23599	3.9
281.22751	1.4
283.24103	2.8
285.22119	1.8
287.23547	1.8
297.25739	2.8
301.25354	1.6
303.07370	1.4
311.27277	1.3
313.25287	2.1
315.26874	4.3
321.08072	2.9
329.28653	3.1
339.08960	1.9
351.30609	1.9
363.30258	1.5
365.31976	6.8
381.31915	1.4
383.33063	6.5
405.35175	16.9
411.36157	4.8
423.36191	100.0
424.36661	3.2
440.35947	2.5
441.37271	83.5
442.37628	1.6
581.38281	7.9
599.39453	17.0
612.33923	1.3
615.13275	1.2
644.91156	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.5777
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	22.8
69.06724	0.7
69.07066	9.7
69.51847	2.9
69.52267	1.0
70.79053	0.6
71.05003	0.6
71.08611	1.0
72.39632	0.4
79.05489	7.3
81.07054	24.6
83.08620	5.8
85.06538	0.6
91.05466	4.7
93.07037	8.5
94.60017	0.5
95.04941	1.0
95.08602	19.2
97.06513	1.9
97.10169	3.0
98.06048	1.2
98.98460	7.7
99.08097	0.6
105.07034	3.7
107.08595	5.5
108.17038	0.5
109.06525	0.6
109.10152	7.1
111.11707	1.2
119.08552	2.5
121.10149	5.3
123.11705	3.0
124.01561	2.7
131.08563	0.5
133.10147	2.6
135.11713	2.4
137.09691	0.6
137.13237	1.4
142.02628	1.2
147.11711	2.1
149.13245	1.5
151.14812	1.0
153.12709	0.5
155.01015	5.2
161.13248	1.5
163.14844	1.0
165.12711	0.5
173.02069	1.9
175.14816	1.6
177.16380	0.7
189.16385	1.0
198.05267	1.9
216.06332	3.5
245.22615	2.1
260.53925	0.5
263.23688	6.6
306.27902	12.2
319.26276	1.1
325.81970	0.6
337.27356	100.0
338.27719	2.8
413.89285	0.6
417.23911	5.0
460.28226	39.9
461.28241	0.8
478.29288	54.9
479.29694	1.5
607.56567	0.4
644.01709	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.5777
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	13.8
69.07066	9.6
70.84232	0.4
71.04981	0.5
71.08620	0.5
73.06557	0.1
79.05490	3.9
81.07053	17.0
82.07379	0.2
83.04971	0.6
83.08615	5.6
85.06519	0.6
85.10162	0.2
91.05482	2.9
93.07040	4.7
95.04951	0.4
95.08602	12.9
97.06517	1.2
97.10165	2.8
98.98456	0.4
99.08098	0.3
102.73739	0.2
105.07022	2.1
107.08589	2.7
109.06523	0.3
109.10149	5.8
110.77835	0.2
111.08073	0.6
111.11707	0.5
113.09679	0.2
119.08566	2.0
121.10128	1.9
123.08065	0.4
123.11697	2.2
124.01602	0.4
125.09687	0.3
133.10124	2.3
135.11676	1.2
137.13252	1.1
147.11678	1.6
149.13237	0.6
151.11156	0.2
151.14856	0.4
153.12733	0.3
161.13258	1.1
163.14795	0.8
173.02122	0.2
175.14772	0.7
175.81783	0.1
179.14410	0.2
198.05298	0.4
207.17451	0.1
216.06288	0.8
245.22659	0.4
263.23770	0.7
306.27859	2.2
337.27341	100.0
338.27731	2.4
380.70206	0.2
460.27994	0.9
478.29269	4.2
532.41199	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	959.5205
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04501	0.8
67.05502	15.1
68.99812	1.0
69.03431	4.3
69.07065	10.5
69.52410	6.7
69.52816	1.7
71.01338	3.7
71.04990	40.4
73.02906	7.4
75.04481	6.5
79.05486	9.7
81.03400	3.1
81.07056	28.4
81.41586	1.0
83.01323	1.3
83.04977	20.3
83.08598	3.7
85.02901	100.0
87.04451	1.7
91.03938	6.6
91.05483	9.2
93.06470	1.6
93.07038	24.8
95.01322	25.3
95.04957	2.8
95.08600	65.4
97.02882	12.1
97.06490	1.9
97.10152	4.3
98.21518	1.1
99.00806	2.9
99.04436	1.9
99.08069	2.0
103.03916	3.2
105.07028	24.3
107.08588	43.9
109.02863	2.6
109.06506	2.2
109.10149	45.5
111.04437	16.3
111.08086	13.5
111.11733	1.4
113.02341	3.6
115.03946	1.1
117.06998	1.5
119.08575	30.5
121.06517	2.0
121.10139	31.2
123.08041	2.7
123.11700	15.4
125.02404	1.1
125.09636	4.6
127.03909	9.0
129.05473	27.1
129.06914	1.8
131.03439	2.1
131.08551	8.3
133.09090	2.0
133.10117	30.6
135.07996	1.2
135.11687	30.5
137.09636	2.5
137.13246	4.0
139.11191	4.8
141.01819	68.3
142.07791	1.2
143.08539	3.9
144.09323	1.5
145.04956	8.5
145.10114	19.0
147.06499	15.4
147.11681	26.2
149.09596	3.0
149.13252	26.5
151.11163	2.5
157.10121	7.3
159.02898	12.4
159.11685	23.7
161.09599	1.5
161.13255	22.4
163.06007	7.7
163.11156	2.5
163.14824	12.0
165.01691	0.9
165.07582	1.3
165.12794	3.0
169.10191	1.1
170.10841	1.1
171.06488	1.7
171.11671	7.0
173.13261	16.5
175.14815	17.5
177.03966	3.2
177.12746	2.0
177.16367	15.4
179.14293	1.8
179.17882	1.0
183.11633	2.0
185.13211	6.7
187.14795	12.1
189.16365	17.7
191.14304	2.2
191.17947	8.5
193.15880	7.1
195.17471	6.2
197.13318	1.5
199.14803	6.7
201.16377	21.3
203.14325	1.0
203.17950	21.2
205.15869	9.2
205.19513	1.5
207.17395	7.8
211.14754	1.1
213.16364	5.9
215.14552	1.2
215.17963	11.8
217.15889	4.0
217.19482	4.9
219.17418	16.5
221.18997	2.6
225.16298	2.2
227.17857	6.9
229.19516	4.2
231.17430	4.2
233.18977	6.3
235.16922	1.1
237.18576	2.2
239.17935	2.6
241.19440	2.3
243.20976	2.8
245.19029	8.8
247.20537	1.9
249.18581	2.2
253.19495	2.0
255.08696	2.1
255.21071	3.5
257.22699	2.0
259.20602	2.3
261.21942	1.7
263.20062	11.1
265.19312	0.9
267.20847	1.7
269.06570	2.1
269.22620	2.9
273.09766	1.9
273.22073	2.7
275.19977	1.1
277.21609	2.1
283.20389	0.9
283.24237	1.6
285.22232	2.4
287.07632	2.9
289.21426	2.2
291.23117	3.3
295.20975	1.0
295.24207	1.6
297.25662	1.0
299.23752	1.9
305.08649	7.4
309.11752	2.9
309.25674	1.2
311.27151	1.0
313.25189	3.6
317.24622	2.2
323.09711	2.1
327.26733	2.3
329.24628	1.3
329.28265	1.5
331.26294	4.7
345.27783	2.2
351.18311	1.4
353.28610	1.0
363.30466	1.4
365.19550	1.3
381.31470	10.2
399.32693	5.5
403.33536	4.2
409.34616	4.8
411.36307	2.3
417.82416	1.1
421.34631	45.5
422.35184	1.5
423.36249	1.2
427.35645	2.3
439.35703	81.5
440.36072	1.3
457.36740	95.9
458.37100	2.6
567.39868	1.8
579.36810	4.3
597.37689	7.4
613.83685	1.0
615.38770	13.5
633.39868	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6138
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	65.8
69.03418	2.7
69.07074	15.3
70.43721	5.5
71.04981	2.0
73.02899	3.1
79.05492	42.3
81.06582	3.3
81.07056	65.5
83.08625	9.2
85.02917	16.3
91.03960	10.1
91.05483	26.5
93.07042	52.6
93.07628	3.1
95.04967	5.8
95.08602	50.3
97.02903	7.9
97.06522	1.7
97.10186	3.6
98.20869	1.8
105.07024	20.9
107.08596	27.0
109.02979	1.6
109.10159	20.0
109.76414	1.5
111.97469	1.5
112.58600	1.8
117.06989	7.2
119.08568	15.8
121.10140	20.9
123.08067	1.9
123.11724	8.1
127.03874	3.2
129.06921	2.3
131.08568	14.6
133.10150	14.8
135.11691	17.3
137.13229	3.0
143.08571	2.9
145.04927	5.0
145.10078	11.9
147.11685	13.3
149.13260	9.9
157.10127	2.5
159.11691	6.5
161.13240	7.6
163.06009	6.8
163.14824	5.5
165.60947	1.8
171.11621	3.2
173.13211	8.1
175.14815	3.2
183.93753	1.9
185.13173	2.1
187.14749	2.2
241.19633	4.1
243.21089	7.9
259.20541	7.3
261.22153	16.1
263.23615	2.0
317.24741	2.3
333.24377	8.5
335.25778	100.0
336.26111	2.2
337.27216	11.8
521.43250	3.7
551.03467	1.8
595.47150	16.6
596.46027	1.8
613.48199	16.4
895.97894	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
67.00579	2.0
67.05506	98.4
69.03436	18.0
69.07068	40.9
71.04987	8.3
71.58926	3.7
73.02910	7.4
78.66995	2.3
79.05128	2.0
79.05490	79.1
81.03418	89.2
81.07056	100.0
83.04987	28.6
83.08612	26.5
85.02898	36.8
85.06503	6.0
91.03941	5.7
91.05478	90.0
93.07040	60.2
95.04970	50.2
95.08606	43.1
97.02888	21.2
97.06534	22.4
97.10170	12.6
98.56040	2.4
99.04463	3.5
100.01203	2.8
101.05935	2.5
105.04429	2.3
105.07024	65.2
107.04951	19.0
107.08593	25.5
109.02846	4.1
109.06519	13.6
109.10159	35.0
110.16769	2.0
111.04450	5.9
111.08076	15.4
113.05991	3.8
115.05416	4.6
117.07035	16.6
119.08585	37.6
121.06525	15.1
121.10154	22.8
123.08008	13.0
123.11687	7.1
125.09624	8.5
127.03850	3.7
129.05499	5.2
129.06996	21.2
130.91200	2.4
131.08575	26.6
133.06502	5.0
133.10129	39.8
135.08092	5.3
135.11694	11.1
137.09605	14.1
141.07008	2.7
143.08528	5.3
145.04901	3.4
145.10117	19.0
147.08000	3.9
147.11685	24.5
149.09645	21.8
149.13252	6.6
151.11131	4.7
157.09019	3.2
157.10135	19.4
159.11711	10.0
161.09610	3.4
161.13263	3.8
163.06041	3.5
163.11179	12.9
165.12759	5.6
167.46651	2.7
171.11714	5.0
173.11682	7.4
173.13176	5.3
175.11162	15.9
181.12149	3.1
189.11221	4.3
193.12236	51.4
209.11768	2.9
211.13286	56.3
223.13213	3.2
227.12819	7.2
229.14342	10.9
243.15820	3.5
245.18857	2.7
253.14313	2.7
255.15938	5.9
257.18909	6.3
267.15933	29.2
269.17480	10.2
273.18506	5.4
275.20120	22.8
285.16992	36.9
291.19583	9.5
293.20938	4.0
299.15082	3.1
301.16541	5.7
333.24222	2.7
342.94196	2.7
349.23676	23.0
353.24918	2.7
365.23105	5.0
403.23816	2.8
421.25925	4.6
439.27106	20.2
447.27374	3.6
463.30621	4.8
477.28522	3.6
479.29562	3.4
481.27899	2.9
495.29688	6.4
541.35187	16.5
557.34656	7.1
559.36365	29.8
575.35419	8.0
577.37292	5.7
752.16718	3.0
758.37585	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	952.5485
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	44.5
69.03435	4.8
69.07066	15.6
71.04986	6.2
71.59074	3.1
73.02921	2.1
73.72760	1.5
78.80531	1.4
79.05492	39.5
81.03424	39.6
81.07059	50.3
83.04992	6.1
83.08620	15.0
85.02905	9.6
85.06526	3.4
91.03965	4.4
91.05483	46.7
93.07042	42.5
95.04959	21.7
95.08604	25.8
97.02913	5.8
97.06534	5.5
97.10172	10.5
99.08122	3.2
103.05482	2.2
105.07028	45.8
107.05004	8.2
107.08594	25.1
109.06531	7.4
109.10171	14.9
110.41917	1.4
111.08098	5.8
115.05505	2.4
117.07021	19.4
119.08583	31.0
119.09364	2.5
121.06519	5.5
121.10146	19.0
123.04463	2.5
123.08094	3.2
123.11739	3.3
125.09607	7.3
129.07002	15.0
131.08571	25.1
133.06485	1.8
133.10129	24.2
135.08064	6.0
135.11678	9.6
137.09619	2.8
141.06995	2.7
142.07777	2.8
143.08577	9.7
145.06564	2.0
145.10114	18.2
147.08090	3.5
147.11685	22.3
149.09633	5.1
149.13313	5.0
151.11206	2.0
155.08553	4.1
157.10156	12.3
159.08060	3.5
159.11703	13.3
161.09761	3.4
161.13292	7.7
163.06009	2.9
163.11160	3.8
165.12804	2.7
167.08588	4.2
169.10135	6.4
171.08086	2.1
171.11717	10.9
173.09721	1.7
173.13307	6.1
175.11217	4.3
175.14833	3.1
177.12836	2.4
181.10097	3.5
183.11710	5.7
185.13326	7.8
187.14894	2.7
189.11237	4.5
189.12788	1.9
190.57011	1.7
193.10315	1.8
193.12294	5.9
195.11725	4.7
197.13310	3.9
199.14865	3.1
207.13783	1.6
209.13361	3.0
211.12944	1.8
223.14824	3.8
227.12791	4.6
229.14342	3.6
241.19571	3.9
257.19159	1.8
259.20541	15.2
267.15894	15.5
269.17484	2.8
275.20050	3.9
283.20514	1.8
285.17041	1.9
299.20044	2.1
299.23672	4.8
301.16599	2.4
333.24310	10.3
337.21237	1.5
340.69031	1.8
342.58783	1.7
348.48068	1.6
349.23911	2.8
384.93768	1.6
415.29501	3.0
421.25873	8.9
423.27335	1.9
433.31009	6.8
433.98459	1.5
435.27411	6.6
439.27176	2.2
447.27393	2.0
451.32016	6.6
463.30621	2.5
469.33078	5.3
507.34586	3.3
517.34851	4.9
525.35791	38.9
543.36816	100.0
544.37244	4.7
557.37994	6.0
559.36407	2.2
567.37244	3.1
575.39612	8.8
633.37128	2.4
651.38971	3.3
669.39929	3.7
687.40863	2.2
705.42145	2.3
819.10596	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.6246
Annotation	Unknow
Peak:m/z	Relative Intensity
70.65279	1.4
71.07368	5.3
71.08623	1.7
81.07047	0.9
83.08643	0.6
85.10210	1.2
86.09705	49.0
95.08590	0.7
98.20788	0.5
98.98450	3.5
104.10741	98.4
105.11111	0.7
125.00005	26.5
140.88943	0.5
143.01068	0.7
163.01611	0.9
184.07335	100.0
185.07697	0.7
221.81308	0.6
235.43655	0.6
258.11017	1.3
313.27429	1.7
419.25140	0.6
452.94235	0.6
478.32944	9.5
496.33969	90.6
497.34021	2.6
690.44373	0.6
701.90576	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	78.3
69.03414	22.3
69.07056	24.8
71.04987	13.3
71.58929	11.4
79.05492	50.8
81.03442	32.7
81.07063	74.5
83.04983	8.0
83.08611	19.1
85.02911	40.2
85.06515	6.1
91.03914	11.5
91.05475	58.7
93.07038	56.0
95.04956	19.8
95.08611	66.2
97.02892	32.3
97.06519	17.8
99.04471	6.5
105.07025	57.8
107.08601	31.6
109.02937	8.1
109.10167	38.8
111.08132	6.3
117.07008	25.8
119.08595	37.6
120.24779	6.9
121.10134	28.5
125.09536	7.0
127.03880	16.4
128.06227	9.7
129.06989	20.9
131.08568	38.3
133.10115	23.9
135.08031	7.3
135.11681	12.7
137.09677	6.2
141.06996	12.0
142.07750	7.5
143.08589	20.8
145.06458	9.2
145.10164	46.6
147.11671	21.3
149.13234	8.8
155.08563	19.8
157.10103	27.1
159.11687	20.1
161.13220	12.3
167.08485	6.6
169.10103	13.4
171.11682	19.3
173.04425	8.0
173.13280	12.8
181.10130	9.3
183.11674	17.3
185.13228	14.2
187.14697	8.3
189.11099	6.4
195.11691	14.1
197.13089	8.2
199.11105	7.7
199.14824	7.5
201.16405	7.8
207.11790	7.4
225.16306	6.6
229.14391	7.2
259.20560	8.1
275.20071	15.2
292.57666	6.8
305.42413	6.4
333.23813	8.0
335.25998	7.0
336.25769	7.0
349.23840	12.8
455.94016	7.0
513.35321	17.0
525.35364	7.5
527.37317	19.6
533.39240	7.1
551.40771	9.3
607.43542	56.0
625.44611	100.0
767.95325	8.2
787.49292	15.2
841.80054	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	949.551
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05161	5.4
67.05506	57.1
69.03426	22.2
69.07076	28.9
71.04987	7.3
73.02917	10.2
79.05483	50.5
81.03408	20.5
81.07059	67.3
81.41468	4.1
83.04990	5.4
83.08615	12.6
85.02904	36.6
85.06564	5.2
91.03958	12.4
91.05480	55.3
93.07041	46.9
95.04951	13.1
95.08603	39.3
97.02886	20.4
97.06528	13.4
97.10179	11.4
99.04464	3.8
105.07029	51.1
105.93624	3.7
107.04967	5.7
107.08614	31.8
109.02872	5.9
109.06502	6.8
109.10155	19.7
117.07040	22.7
117.50450	3.9
119.08574	31.1
119.13708	3.4
121.06551	4.8
121.10136	15.9
123.11714	6.1
125.09640	8.2
127.03922	7.6
128.06252	6.8
129.07025	19.1
131.08560	38.2
133.10114	22.2
135.08058	5.1
135.11699	11.2
138.90825	3.8
141.06970	9.1
143.08554	22.1
145.10130	25.8
147.08058	4.4
147.11658	19.8
149.09558	7.9
149.13257	4.4
155.08548	13.6
157.10115	24.2
159.11716	18.5
161.09645	4.8
161.13228	11.8
165.09172	3.9
167.08478	5.2
168.09274	5.1
169.10123	12.6
171.08051	5.1
171.11668	12.5
173.04482	6.1
173.13278	10.9
175.14804	4.0
181.10121	9.5
183.11676	12.4
185.13278	12.4
187.14830	4.5
189.11177	5.4
195.11624	9.6
197.13234	9.7
197.29819	3.4
199.14865	7.2
203.05580	3.8
204.74864	4.5
207.11627	4.9
209.13286	5.5
211.14850	6.2
227.12602	8.7
229.14429	7.3
254.71832	4.2
257.18869	5.1
259.20459	9.4
267.15860	4.3
275.07312	3.6
275.20087	15.6
283.20840	3.9
301.25150	3.8
331.23291	3.9
333.24283	7.7
335.25766	5.9
336.26199	4.2
349.23895	10.4
403.99173	4.2
513.35742	21.4
518.95172	4.3
527.37415	9.8
533.39764	5.1
551.40448	3.8
574.14008	4.9
607.43610	45.7
614.23920	4.2
625.44519	100.0
626.44830	5.5
660.26489	4.3
733.46216	6.4
787.48975	15.7
788.32977	4.2
881.84442	4.6
949.54529	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	943.5253
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	11.4
69.03423	4.6
69.07059	7.9
69.61134	2.4
69.61532	12.8
71.04993	37.9
73.02912	8.2
75.04465	3.8
77.13864	1.7
79.05501	8.6
79.72520	1.6
81.07053	27.4
83.04981	16.5
83.08611	6.9
85.02902	94.1
91.03952	6.6
91.05466	7.6
93.07037	22.3
95.01314	23.8
95.05013	2.1
95.08606	66.9
97.02879	8.8
97.10143	3.6
98.20787	3.4
99.00797	3.1
103.03917	2.9
105.07021	20.6
107.08595	36.3
108.81546	1.6
109.02903	2.6
109.06583	1.9
109.10152	42.4
111.04432	13.9
111.08067	7.5
111.11663	2.0
113.02371	3.1
119.08571	29.5
121.10138	31.8
123.11687	17.8
125.09638	3.3
127.03903	7.2
129.05482	24.0
131.03314	2.0
131.08565	6.7
133.10123	31.3
135.11667	25.3
137.13264	5.8
139.11162	5.7
141.01813	61.2
145.04948	8.1
145.10130	15.2
147.06525	13.3
147.11691	26.4
149.13239	18.9
157.10083	4.2
158.63924	1.8
159.02864	13.1
159.06552	2.1
159.11678	16.2
161.13269	20.8
163.06012	10.8
163.14819	16.4
165.12714	2.7
173.13217	11.2
175.14810	15.4
177.03969	3.3
177.16376	17.6
185.13176	2.3
187.14841	12.6
189.16379	17.2
191.14418	2.9
191.17921	9.9
193.15862	4.7
195.17418	7.3
199.14853	3.3
201.16405	14.9
203.17952	37.0
205.15823	6.5
205.19484	4.8
207.17422	7.8
213.03912	1.7
213.16431	4.7
215.17969	14.6
217.15775	2.2
217.19495	19.8
219.17395	10.3
221.18993	8.5
227.17966	7.9
229.19516	18.4
231.17526	2.4
232.54980	2.3
233.18980	11.1
235.20490	3.4
241.19467	3.9
243.21094	6.2
245.19020	4.9
247.20601	13.3
255.08519	2.7
255.21097	3.3
257.22659	4.8
261.22180	4.1
267.98303	1.8
269.22617	2.7
273.22134	1.7
275.23666	2.6
281.22586	1.9
283.23984	2.6
295.23944	2.1
305.08588	8.4
309.11816	2.1
311.27094	3.1
313.25238	2.4
315.26804	4.2
321.08334	3.1
365.32101	5.9
383.32953	7.9
405.35159	15.9
411.36099	3.9
423.36200	100.0
424.36462	4.0
441.37250	83.1
442.37534	2.9
522.23920	2.2
581.38007	7.6
599.39563	17.6
599.48560	2.9
617.39935	2.0
745.68195	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	938.569
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04248	4.7
67.05503	31.4
69.03422	9.6
69.07066	11.9
71.04993	7.2
71.08646	17.7
71.59206	4.1
73.02923	9.6
74.06080	54.4
79.05482	26.3
79.66721	2.0
80.05029	2.6
81.03416	20.6
81.07058	33.5
82.06580	60.4
83.04975	18.3
83.08608	14.2
85.02897	25.3
85.10194	9.2
86.06046	3.0
91.03954	15.0
91.05465	19.9
93.07044	23.3
94.06570	62.4
95.04956	12.2
95.08604	32.3
96.08135	8.4
97.02898	21.0
97.06535	3.5
97.10176	7.5
98.06055	4.8
99.04473	2.5
99.93974	2.3
100.07623	9.9
105.07041	11.9
107.08613	10.8
108.08115	7.1
109.06558	2.5
109.10152	15.4
110.06033	5.9
110.09681	2.9
116.07074	3.6
117.07007	6.1
118.06567	2.7
119.08595	10.8
120.08120	6.1
121.10178	10.9
122.06065	4.2
123.08038	2.5
123.11710	5.2
124.07565	2.8
125.09676	3.8
127.03885	5.4
128.07112	6.2
129.07021	3.5
131.08580	8.6
133.10147	9.9
134.09695	4.4
135.11716	5.0
136.07591	17.3
145.04982	4.7
145.10103	4.9
147.08191	2.8
147.11638	6.2
149.04108	2.6
149.09621	7.0
150.09116	5.1
152.07140	4.5
157.10184	5.2
159.11652	5.5
163.11224	2.7
167.10674	2.4
175.11183	3.8
185.13130	2.8
193.12277	11.1
202.15935	4.4
209.11716	4.7
211.13303	7.7
219.18144	2.5
220.16977	33.5
230.15489	14.8
236.11499	2.9
238.17952	7.1
239.48364	3.1
248.16466	90.1
257.24863	2.5
261.21939	2.7
266.17581	10.1
267.15912	33.7
269.17371	2.7
278.17654	3.6
285.16965	10.0
301.16357	13.1
304.19031	7.1
313.27335	61.5
322.20090	6.1
333.24075	3.6
335.25891	14.2
340.21252	4.5
505.38852	25.7
523.39935	10.7
543.36884	5.0
560.42706	3.5
561.37915	8.4
578.44208	22.5
596.45404	17.0
614.46252	94.8
615.46808	5.3
619.56976	3.0
740.49738	3.0
758.49738	6.2
776.51477	100.0
777.52069	5.1
938.56946	63.7
939.57013	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	941.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	7.9
67.48537	1.1
69.03412	3.7
69.07066	5.6
69.26244	14.9
69.58929	1.1
71.01349	1.5
71.04990	31.1
73.02918	5.9
75.04482	3.2
79.05486	6.6
81.03416	1.8
81.07059	17.1
83.01360	1.7
83.04987	14.4
83.08607	2.5
84.70546	1.1
85.02905	67.2
87.04452	1.3
91.03955	5.1
91.05476	5.1
93.07045	16.8
95.01331	18.4
95.04986	1.3
95.08602	39.4
97.02896	8.6
97.06520	5.3
97.10154	1.5
99.00803	1.5
101.02409	1.6
103.03924	2.1
105.07030	12.9
107.08591	25.9
109.02889	1.6
109.06514	2.5
109.10153	23.0
111.04454	11.0
111.08068	5.9
113.02358	2.9
117.06999	1.4
119.08575	23.5
121.10143	22.6
121.11012	1.5
123.08103	1.3
123.11715	8.3
125.09621	2.5
127.03936	6.5
129.05476	18.4
129.07016	1.7
129.79451	1.2
131.03432	1.2
131.08560	9.6
133.10120	17.5
135.11696	17.6
137.13298	2.4
139.11194	11.8
141.01826	38.8
143.08545	3.4
145.04948	6.1
145.10115	14.4
147.06506	8.0
147.11693	15.9
149.13272	18.0
151.11163	1.7
153.12805	1.5
157.10100	6.8
159.02913	8.7
159.11699	16.1
161.13248	16.8
163.06003	7.6
163.11166	5.1
163.14832	6.8
165.12779	2.2
169.10185	2.1
171.11726	5.4
173.13251	10.1
175.14839	14.7
177.03986	2.0
177.12828	1.6
177.16412	11.6
183.11707	2.2
185.13272	4.2
187.14786	14.2
189.16388	8.3
191.14337	3.4
191.17911	3.1
193.15858	3.7
195.17480	3.8
197.13167	1.7
199.14842	5.9
201.16370	16.7
203.14365	2.7
203.17975	11.4
205.15874	8.8
207.17393	6.4
211.14816	3.6
213.16434	4.9
215.17982	12.4
217.15881	2.4
217.19554	3.4
219.17484	14.0
221.19025	1.4
225.16312	2.3
227.17978	8.5
229.19539	3.0
231.17442	3.3
233.19002	3.5
239.17952	2.6
241.19484	2.1
243.21054	2.1
245.19032	16.9
247.20740	1.4
253.19426	2.3
255.08685	1.9
255.21185	3.6
257.19031	2.6
259.20767	3.2
261.22229	1.4
267.21182	1.3
269.22617	3.3
271.20544	3.8
273.22046	7.0
281.22623	1.4
283.20682	2.6
285.22150	3.4
287.07761	1.6
295.24139	2.6
299.23813	2.9
305.08704	4.5
313.25110	3.7
327.26709	1.7
363.30618	2.7
381.31445	10.2
403.33710	4.6
409.34494	5.5
421.34641	53.4
421.40363	2.8
439.35715	100.0
440.35992	2.5
457.36002	1.6
579.36536	1.5
597.37842	12.9
672.37164	1.5
782.27179	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	938.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	4.3
67.05502	100.0
69.03426	5.6
69.07062	16.2
71.04993	3.8
71.59109	3.2
73.02922	2.7
78.45334	1.9
79.05488	49.9
81.03423	10.1
81.07056	56.5
83.04979	5.9
83.08609	16.7
85.02905	18.1
85.06541	2.9
87.04469	5.5
91.03963	2.7
91.05478	30.6
92.57615	1.9
93.07043	42.7
94.06577	3.0
95.04983	9.4
95.08601	44.6
97.02903	8.2
97.06511	3.1
97.10166	18.7
99.08018	1.8
105.07039	17.9
107.08591	28.0
109.06453	3.9
109.10152	50.5
111.08115	3.2
117.07028	6.6
119.08582	18.9
121.06545	2.6
121.10145	19.7
123.08073	2.6
123.11719	4.8
125.09631	19.0
127.03921	2.9
129.06947	3.9
131.08556	12.7
133.10109	12.4
135.11674	15.2
137.13258	2.8
139.11140	4.8
143.08575	2.1
143.10687	3.1
145.10083	10.3
147.11696	7.2
149.09647	2.5
149.13243	7.3
153.12711	2.8
155.10641	2.6
157.10103	3.1
159.11656	9.3
161.13234	5.0
163.06056	2.5
163.11160	3.9
163.14806	2.6
167.08655	2.1
169.10155	2.0
173.11708	10.3
173.13283	6.6
175.11180	2.2
185.11739	2.7
185.13298	3.1
193.12212	7.3
196.53851	2.1
199.13300	6.2
203.12863	2.3
209.11691	4.3
211.13264	3.7
217.14430	2.6
227.12769	7.3
229.14331	32.5
243.21114	4.9
245.13898	4.1
248.16425	5.5
259.20535	3.1
261.18646	1.8
261.19531	2.1
261.22125	15.0
267.15912	8.1
277.21530	2.8
283.15463	2.7
289.21786	2.6
301.16483	15.3
315.23273	2.7
333.24121	2.3
335.25778	64.9
363.25125	2.7
451.31848	2.4
477.35599	9.7
489.35760	15.6
543.36633	8.0
561.37695	11.5
579.38623	7.1
589.52673	2.1
614.46423	3.7
723.41882	3.0
776.51282	6.1
938.55811	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	2.7
67.05505	59.6
69.03409	4.3
69.07079	13.5
71.04978	3.2
73.02922	3.0
78.39292	2.3
79.05492	48.6
81.03416	97.4
81.07063	69.7
83.04964	10.2
83.08622	21.0
85.02888	9.6
85.06524	3.0
89.14326	2.4
91.03967	5.9
91.05476	36.3
93.07036	51.5
95.04967	30.0
95.08608	49.1
97.02890	8.6
97.06556	4.4
97.10161	9.6
105.07040	28.9
107.04942	9.1
107.08585	32.6
109.02866	3.0
109.06524	4.4
109.10144	24.3
111.04331	2.5
111.08112	6.2
117.07019	11.3
119.08579	31.0
121.06509	14.1
121.10149	23.8
123.08041	3.6
123.11705	6.9
125.09599	4.8
128.30275	2.6
129.06993	10.8
131.08557	27.5
133.06508	4.8
133.10123	13.8
135.08110	2.9
135.11690	14.1
137.06020	3.4
137.09645	3.0
143.08560	5.7
145.10121	13.7
147.08043	6.5
147.11705	17.1
149.09601	9.7
149.13274	6.6
153.70004	2.9
157.10143	13.0
159.11649	3.7
161.13263	6.1
163.05896	2.9
163.14749	4.3
167.74902	3.1
171.11723	5.0
173.13263	8.7
175.11180	9.7
175.14842	3.0
185.13261	3.0
187.14845	3.6
189.11208	5.1
193.12271	26.0
227.12747	7.8
235.13345	3.5
243.21104	6.8
261.22086	17.7
267.15918	100.0
287.20053	3.1
301.25192	6.3
303.23096	3.4
317.24634	3.2
335.25812	97.6
415.25525	2.9
421.25803	4.1
435.32819	5.5
453.33527	12.0
471.34454	7.3
509.36264	2.9
527.37341	69.8
545.38306	70.7
569.38098	6.1
577.40546	3.2
662.64288	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	938.5305
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	4.3
67.05505	100.0
69.03400	5.6
69.07063	17.4
71.04998	4.3
71.59296	3.5
73.02911	5.0
74.06078	6.1
79.05062	3.4
79.05495	46.9
81.03397	10.5
81.06580	4.1
81.07053	62.2
82.06591	8.1
83.04972	6.3
83.08622	16.0
85.02904	28.9
85.06521	2.5
85.60854	1.9
86.28041	2.4
87.04447	4.7
91.03957	8.8
91.05480	31.5
93.07043	44.8
94.06539	6.8
95.04982	10.6
95.08607	43.7
96.08147	2.0
97.02898	11.0
97.06532	5.2
97.10179	22.2
105.07027	17.6
105.49483	2.3
107.04948	3.1
107.08595	31.2
109.06499	2.8
109.10152	42.0
111.04440	3.8
111.08073	3.7
117.07025	9.2
119.08590	17.5
121.10147	20.8
123.08036	4.0
123.11698	4.7
125.09618	17.1
127.03941	4.5
129.06993	4.0
131.08578	19.5
133.10161	10.5
135.11731	10.5
136.07578	2.8
139.11066	2.6
143.08537	2.8
145.04878	2.5
145.10112	9.6
147.11691	8.5
149.09608	2.4
149.13304	7.1
152.75180	2.3
157.10147	4.8
159.11729	7.7
161.13315	4.9
163.11169	6.0
163.14871	3.1
173.11720	11.2
173.13249	6.1
185.13339	2.9
187.14841	3.8
193.12251	6.4
199.13306	7.2
209.11763	2.8
220.16949	3.5
227.12825	6.3
229.14304	32.3
243.21132	3.7
245.13695	2.3
248.16394	13.8
261.22180	17.7
267.15897	10.9
301.16452	16.7
301.21597	2.5
313.27383	7.4
315.23227	2.4
317.24890	3.2
335.25787	63.5
336.26138	4.1
353.35870	2.6
451.32129	2.8
477.35648	8.0
489.35861	19.3
505.38623	3.4
543.36481	7.9
561.37512	13.0
579.38147	4.2
596.44806	4.4
614.46277	13.8
776.51331	17.0
938.58136	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	936.5157
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	2.7
66.29646	1.2
67.05504	51.5
67.63873	1.2
69.03426	9.2
69.06715	2.1
69.07068	20.9
71.04977	5.5
71.58863	1.3
73.02927	3.2
75.75420	1.1
77.32195	1.1
79.05493	49.2
81.02929	1.3
81.03418	65.5
81.07055	72.0
83.04977	19.2
83.08621	28.0
85.02908	35.8
85.06529	4.3
87.34252	1.5
87.99232	1.1
91.03947	5.5
91.05479	57.2
93.07043	56.8
95.04970	34.2
95.08604	26.6
97.02891	11.2
97.06514	13.1
97.10161	7.7
99.08057	2.2
105.07030	43.3
107.04942	11.3
107.08591	26.9
109.02884	2.6
109.06512	8.9
109.10139	9.6
111.04430	3.8
111.08093	12.4
113.06004	3.0
115.05443	3.5
117.07016	14.4
119.08582	29.6
121.06487	5.5
121.10145	18.7
123.08056	5.2
123.11688	3.9
125.09624	6.7
127.03922	5.8
128.06213	1.8
129.05482	1.9
129.07001	15.5
131.08575	23.3
133.06477	4.1
133.10127	26.4
135.08026	2.9
135.11700	10.6
137.09598	2.7
139.11194	1.6
141.06921	1.3
142.07780	2.9
143.08575	3.8
145.10129	12.9
147.08023	4.2
147.11691	22.3
149.09607	10.2
149.13255	13.3
151.11177	1.7
152.57726	1.1
154.93872	1.3
155.08603	2.9
157.10161	14.7
159.11678	9.8
161.13249	3.2
163.11154	5.4
165.12730	4.5
169.10124	1.6
171.11676	2.5
173.04480	3.7
173.13205	2.2
175.11195	14.6
177.12740	5.1
179.14253	1.4
183.11720	1.9
189.11162	2.8
193.10419	2.7
193.12233	39.6
195.13789	4.7
197.13213	1.3
211.13272	51.2
227.12781	4.4
229.14365	2.8
247.20656	1.3
253.14302	1.6
255.15883	8.1
257.18979	4.5
267.15894	39.9
269.17456	29.3
275.20050	21.1
285.16959	51.2
286.17181	1.9
331.22656	2.1
349.23752	14.0
367.24777	2.5
387.25238	1.4
405.26501	1.5
413.21786	1.9
439.26791	2.2
443.27829	4.8
447.27487	10.5
461.29004	45.5
465.28476	15.0
472.64447	1.5
479.30032	100.0
480.30219	3.4
523.33875	1.5
541.35181	14.4
559.36292	26.5
560.35919	1.5
577.37219	5.3
623.33905	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	936.5156
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	4.6
67.05506	72.0
69.03420	14.7
69.07073	25.2
70.07398	3.0
70.65264	6.8
70.65639	5.8
71.05000	6.0
73.02908	7.8
75.30804	3.3
79.05489	83.0
81.03414	69.8
81.07055	73.8
83.04981	26.5
83.08609	34.8
85.02904	39.7
86.10104	3.1
91.03946	7.7
91.05479	100.0
93.07046	76.0
95.04964	28.2
95.08604	41.8
97.02895	19.5
97.06532	12.5
97.10163	9.2
99.04448	4.1
99.08067	8.3
103.05453	4.4
105.07030	76.6
106.99113	3.2
107.04948	10.6
107.08585	42.2
109.02884	3.5
109.06528	8.2
109.10176	15.5
111.04449	7.8
111.08079	15.4
117.07008	19.2
119.08576	66.2
121.06493	12.3
121.10134	32.6
123.08038	9.2
123.11684	6.5
125.09606	6.9
127.03929	7.4
127.07585	3.9
128.06334	4.0
129.06987	20.8
131.08583	44.8
133.06525	5.1
133.10132	58.1
135.08067	4.2
135.11681	19.6
142.07782	4.2
143.08572	9.6
145.04968	5.7
145.10156	22.8
146.68919	3.1
147.08078	8.2
147.11682	48.3
149.09627	17.7
149.13268	14.8
157.10159	23.5
159.11667	21.6
160.24699	3.5
161.13239	19.0
163.11250	6.9
165.12825	4.7
169.10078	4.1
171.11646	11.9
173.09474	3.5
173.13306	11.6
175.11163	17.1
175.14896	6.1
177.12712	4.3
177.80626	3.2
185.13316	7.6
193.12231	48.5
195.13707	5.5
199.14832	4.1
211.13283	54.0
241.19574	14.1
253.14427	4.4
257.18942	9.6
259.20554	45.7
267.15912	27.0
269.17505	21.2
275.19986	18.5
285.16983	56.9
286.17355	3.9
291.19580	4.6
315.23093	5.9
333.24149	34.6
349.23706	8.2
433.30399	4.4
450.77945	3.5
461.28815	15.8
479.30051	30.7
525.35699	19.1
543.36774	52.3
559.35938	13.1
936.54626	6.2
937.46350	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	936.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	6.3
67.05503	76.3
69.03433	18.1
69.07066	33.2
69.50661	23.8
71.04987	9.6
73.02914	6.6
79.05064	5.6
79.05496	80.3
81.03415	97.2
81.07056	84.1
83.04980	31.1
83.08626	42.5
85.02902	37.9
85.06533	6.7
91.03947	8.9
91.05482	89.7
93.07039	62.0
95.04974	44.7
95.08609	35.9
97.02901	16.4
97.06525	20.2
97.10169	23.1
99.04441	5.2
99.08111	5.6
105.07030	77.1
107.04932	18.6
107.08592	47.7
109.02862	5.8
109.06526	15.4
109.10133	16.0
111.04407	5.7
111.08107	18.8
113.06005	3.4
115.05492	3.9
117.07006	18.6
119.04919	2.7
119.08575	48.0
121.06486	8.8
121.10141	21.2
123.08053	9.9
123.11689	4.0
125.09625	12.8
127.03894	8.2
128.06284	3.5
129.07004	19.3
131.08569	41.5
133.06493	5.0
133.10130	37.7
135.08104	8.7
135.11696	14.0
137.09593	4.4
139.11143	3.0
141.06944	4.3
142.07751	5.6
143.08481	6.7
145.04947	3.5
145.06496	3.3
145.10141	20.9
147.07991	5.6
147.11684	30.4
149.09586	28.5
149.13258	8.5
151.11121	3.1
157.10103	25.5
159.11725	14.6
163.06026	3.6
163.11209	10.3
165.12659	4.0
171.11731	4.4
173.04456	5.0
173.13322	6.3
175.11201	22.6
177.12776	4.4
183.11740	4.3
187.11102	3.3
189.11203	10.7
193.12241	64.4
195.13872	4.3
211.13278	100.0
227.12762	22.5
233.29961	3.4
255.15903	8.5
257.19012	12.8
267.15909	49.6
269.17514	29.0
275.20053	53.3
285.16962	95.6
286.17422	4.2
293.21158	3.9
301.14459	3.9
312.22858	3.9
313.78137	3.2
331.22702	4.1
349.23721	47.8
413.21457	4.4
439.26938	4.6
443.27664	3.5
447.27383	11.6
455.26169	9.6
461.29092	33.3
465.28424	14.0
479.23450	5.1
479.30063	83.3
513.35382	3.2
541.35315	40.7
559.36273	87.0
560.37280	4.0
577.37122	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	933.5563
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.0
67.05505	14.5
69.03431	10.3
69.07065	7.8
69.64567	2.7
69.64976	1.3
71.01350	1.6
71.04993	1.7
71.08625	0.5
73.02914	9.6
79.05491	10.4
81.03418	5.8
81.07053	15.1
81.76508	0.5
83.01349	0.7
83.04964	2.1
83.08624	5.0
85.02904	21.8
85.06542	0.9
87.04468	0.9
90.25388	0.5
91.03953	12.7
91.05474	9.4
92.43660	0.5
93.07040	11.5
95.04966	2.4
95.08602	11.4
95.09169	0.9
97.02886	21.0
97.06548	0.8
97.10167	2.1
99.04459	2.5
101.02374	2.4
103.05489	0.6
105.07027	9.4
107.04906	1.2
107.08582	5.9
109.02882	2.0
109.06535	1.0
109.10154	4.9
111.04420	0.6
111.08062	0.6
115.03945	1.2
115.05434	0.7
117.07034	5.7
119.08572	8.2
121.06546	0.8
121.10145	4.6
123.08063	1.2
123.11713	1.4
125.09696	0.9
127.03915	6.9
128.06242	2.2
129.07001	7.7
130.07857	0.7
131.08557	10.3
133.10110	6.7
135.08066	1.0
135.11702	2.6
137.13228	0.6
141.06993	2.9
142.07819	1.7
143.08554	9.3
145.04976	3.0
145.06430	0.7
145.10103	9.2
147.11658	4.0
149.09502	0.8
149.13240	1.7
153.06984	0.7
154.07870	1.3
155.08549	7.1
156.09338	1.2
157.10120	9.8
159.11684	6.1
161.13254	2.7
162.31721	0.6
163.06070	1.8
165.06987	1.0
167.08542	4.1
168.09332	1.5
169.10135	9.5
170.10922	0.8
171.11688	7.9
173.13272	4.1
175.14816	0.8
179.08594	1.6
181.10092	5.6
182.10880	1.3
183.11691	9.0
185.13245	5.9
187.14847	1.7
193.10114	2.4
195.11658	6.8
196.12404	0.7
197.09653	0.7
197.13249	6.2
199.14772	3.7
201.16412	1.2
203.18031	0.7
205.10201	1.2
207.11734	1.8
209.13229	6.5
211.14833	5.5
213.12779	0.6
213.16386	2.1
219.11725	1.2
221.13322	2.2
223.14787	4.5
223.16789	0.6
225.16385	3.4
227.17998	1.1
233.13316	1.3
235.14806	2.5
237.16446	2.3
239.17995	2.1
241.19638	1.0
247.14694	0.7
249.16385	1.9
250.60713	0.6
251.17953	2.0
253.19620	1.4
261.16458	1.0
263.17938	0.8
265.16040	0.5
265.19461	1.2
267.21219	1.1
271.20605	0.6
277.19415	0.8
279.21237	0.7
291.20886	0.7
295.20377	0.8
297.22025	0.8
299.20279	0.7
307.20532	0.9
313.21805	0.5
321.22119	1.3
323.23636	0.8
325.21658	0.9
325.25449	1.1
327.23157	0.7
335.23566	0.9
337.25201	0.7
341.24625	1.0
347.23773	0.7
351.26736	1.2
361.25250	0.6
363.26950	0.7
365.28387	0.8
367.26501	0.7
393.31476	0.7
421.30988	0.9
433.30954	0.5
435.33298	0.6
447.32608	0.8
501.35666	1.1
513.35687	0.9
515.37335	0.6
517.40472	4.7
527.37341	0.8
535.41382	1.8
539.37408	1.6
541.38965	0.9
591.44012	4.9
607.43115	2.6
609.45105	100.0
610.45605	3.6
621.45502	1.7
633.45050	1.7
651.46240	1.8
675.45563	1.2
693.47461	0.7
699.46332	1.4
717.46228	1.2
735.48236	2.2
753.49310	2.8
771.50348	23.9
772.50415	1.4
837.23840	0.7
933.55676	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	932.5216
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	2.6
67.05504	76.6
67.33627	3.1
69.03419	7.1
69.07071	24.1
69.40678	23.1
71.04992	4.3
71.13271	2.4
79.05494	89.2
81.03438	18.5
81.07059	76.2
83.04972	17.6
83.08611	14.3
85.02885	9.3
85.06542	4.7
91.05479	77.1
92.86644	2.3
93.07047	78.2
95.04977	24.0
95.08609	37.2
97.02878	5.2
97.06524	16.0
97.10142	12.5
98.21521	4.4
99.04415	3.5
105.06386	4.4
105.07037	58.4
107.04940	14.6
107.08597	42.4
109.06499	9.0
109.10138	12.0
111.04448	3.1
111.08085	3.5
115.05466	3.2
117.07011	21.9
117.24960	2.4
119.08583	35.0
121.06491	6.0
121.10144	14.1
123.08031	8.6
123.11761	3.7
125.09573	8.4
127.03932	5.6
128.06210	7.6
129.07028	18.1
130.07755	3.2
131.08556	16.5
131.71288	2.8
133.10135	26.9
135.08069	5.1
135.11684	9.6
141.06956	3.9
143.08536	9.3
145.06438	3.4
145.10138	21.5
147.11682	43.2
149.09592	12.1
149.13258	8.9
155.08504	3.2
157.10124	4.3
159.11696	11.8
161.09624	4.0
161.13255	10.7
163.11183	9.6
169.10117	3.0
171.11691	22.1
173.13252	6.8
182.66510	3.1
184.93762	3.0
189.11206	4.2
189.12767	11.1
195.13698	3.7
197.13297	3.2
207.13799	19.8
225.14941	3.1
227.12790	16.0
239.61317	2.6
255.15910	6.4
257.18942	10.8
267.15924	5.0
269.17471	11.9
275.20084	44.0
281.17484	58.9
349.23672	26.2
435.27231	8.1
461.28906	22.9
475.30539	100.0
555.36780	74.2
573.37500	11.2
619.34753	4.7
651.75818	2.9
792.70752	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	932.5205
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	7.9
67.05505	65.7
69.03423	6.9
69.06152	2.5
69.07069	22.9
71.05002	2.8
73.06545	2.6
77.03893	2.0
77.68246	2.6
79.05492	93.3
81.02989	2.4
81.03400	13.8
81.07056	76.0
83.04977	16.5
83.08623	12.7
85.02908	9.3
85.06532	6.1
91.03945	4.7
91.05480	93.3
93.07045	96.3
95.04969	28.6
95.08606	41.9
97.02888	8.5
97.06519	13.5
97.10189	6.6
99.04462	2.6
99.08054	3.7
103.05490	2.8
105.07030	73.6
107.04980	15.6
107.08599	37.4
109.06499	12.7
109.10161	14.3
111.08079	3.4
117.07034	26.4
119.08589	52.6
121.06499	8.7
121.10151	17.5
123.08078	8.9
125.09615	4.5
127.03931	6.5
128.06209	4.5
129.07019	23.7
130.07857	2.8
131.04984	2.4
131.08598	23.6
133.10138	34.3
133.29169	2.4
135.08051	3.5
135.11694	14.6
137.09610	4.1
143.08562	19.6
145.10126	27.9
147.08035	5.0
147.11690	60.9
149.09628	8.1
149.13243	12.9
157.10089	6.1
159.11708	21.7
161.09628	5.2
161.13269	32.1
163.11174	5.4
169.10129	5.6
171.11690	40.5
173.13242	12.4
175.14853	7.0
177.12808	6.4
183.11713	3.2
185.13295	6.6
189.12776	15.4
195.13789	2.9
199.14819	2.9
207.13799	36.0
225.14862	3.7
241.19519	13.1
253.14259	5.6
254.14700	4.3
255.15099	2.7
257.18994	6.6
259.20569	38.2
269.17477	20.5
275.20038	17.3
279.15894	9.0
281.17484	100.0
293.20972	3.1
333.24231	25.8
349.23846	9.6
447.32758	4.5
459.31332	2.8
465.33804	3.8
475.30594	64.9
539.37421	50.4
555.36469	10.2
557.38507	18.2
573.36896	8.7
595.90552	2.6
868.54169	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	925.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03903	2.8
67.05503	10.1
67.35629	2.3
69.03428	5.7
69.07066	7.1
71.04987	25.9
71.58939	3.2
73.02919	5.4
75.04495	8.2
79.05501	8.6
81.03389	2.8
81.07057	23.8
83.04975	16.9
83.08621	4.3
85.02902	100.0
91.03967	3.8
91.05490	8.5
93.07053	16.3
95.01328	6.9
95.04989	4.2
95.08594	58.6
95.09158	3.5
97.02898	16.0
103.03918	2.6
105.07009	13.5
105.13746	2.5
107.08575	28.0
109.02904	3.8
109.10156	44.7
111.04459	7.3
111.08070	5.1
113.02474	2.8
119.08581	26.7
119.25414	2.2
119.60774	2.5
121.10126	27.0
123.11674	13.3
125.09663	2.8
127.03916	9.5
129.05481	26.3
130.47458	2.8
131.08614	6.4
133.10109	28.3
135.11702	19.4
137.13242	6.1
141.01828	16.0
145.04984	9.3
145.10144	11.1
147.06516	13.9
147.11705	15.1
149.13240	15.5
157.10176	4.7
159.02884	15.0
159.11719	15.6
161.13257	13.2
163.06052	4.3
163.14798	13.1
173.13271	7.7
175.14818	16.0
177.03922	3.8
177.16353	16.1
185.13289	4.0
187.14806	13.3
189.16432	16.9
191.14410	3.4
191.18001	7.9
195.17462	3.1
199.14813	5.0
201.16414	11.0
203.17955	26.0
205.15892	5.9
205.19502	3.1
215.17952	11.3
217.19557	11.6
219.17535	7.1
221.18971	4.9
227.18008	6.1
229.19511	17.9
233.19066	5.6
243.21120	4.3
245.19109	3.8
247.20703	6.1
255.21106	5.1
257.22662	6.2
269.22601	4.2
271.24051	2.9
283.24417	3.5
305.08762	4.5
351.17819	2.7
365.32126	6.2
405.35382	18.6
423.36194	72.5
441.37375	29.9
526.67645	3.3
580.28546	2.8
581.38416	16.2
599.39392	24.2
941.34833	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	923.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
65.47016	0.5
67.05507	8.6
69.03427	2.4
69.07069	6.6
69.49474	0.5
70.42822	2.4
71.01357	11.9
71.05001	0.7
73.02618	0.4
73.02924	4.9
75.04471	2.3
79.05489	5.5
81.03411	0.9
81.06580	1.0
81.07057	21.4
83.08604	4.6
85.02905	35.4
85.06555	0.6
86.34648	0.6
91.03947	9.4
91.05473	4.7
93.06465	1.2
93.07041	16.6
95.01331	19.8
95.04946	1.0
95.08607	42.6
97.02884	9.7
97.10159	2.2
99.00818	2.0
99.04443	1.7
101.02382	23.9
103.03931	2.3
105.07031	17.1
107.08595	24.2
109.02897	0.7
109.06504	1.0
109.10154	30.6
111.08086	5.8
111.11712	2.0
113.02367	2.8
115.03931	0.8
117.07012	1.7
119.08581	24.1
121.10143	21.5
123.00814	0.9
123.11710	10.8
125.09647	0.9
125.13235	0.7
127.03916	60.1
129.07018	0.9
130.07770	0.7
131.03354	1.1
131.08575	6.4
133.10135	17.4
134.10468	0.7
135.11699	14.9
137.13260	3.5
139.11162	2.0
141.01826	41.5
143.08525	2.7
145.04958	51.0
145.10127	11.1
147.11693	17.6
149.13264	14.1
151.11139	1.1
157.10130	3.7
158.10876	0.9
159.02898	5.1
159.11685	14.8
161.13258	16.0
163.06032	9.1
163.14809	8.4
165.12703	1.1
169.10181	1.0
169.43755	0.6
171.11691	3.2
173.13271	9.9
175.14827	11.9
177.03932	1.8
177.16394	13.4
179.17955	2.2
183.11716	1.3
185.13300	2.7
187.14828	9.0
189.16379	12.5
191.17960	6.6
193.15903	2.1
195.17453	0.7
197.13228	1.0
199.14796	4.4
201.16379	21.4
203.17961	19.0
205.15887	5.5
205.19505	4.4
206.86977	0.5
207.17400	3.1
211.14984	0.7
213.16496	3.5
215.17937	9.1
215.19904	0.7
217.16217	2.7
217.19521	16.8
217.21597	1.2
219.15498	0.6
219.17433	3.4
219.21085	1.1
225.16238	0.8
227.17926	6.1
229.19527	8.3
231.17459	1.8
231.21027	1.7
233.19025	1.3
235.20529	0.8
241.19498	3.4
243.21100	4.6
245.18999	2.0
245.22800	1.3
247.20532	0.7
253.19476	1.5
255.21034	4.7
257.22662	4.1
259.20602	1.5
261.22083	1.0
267.21118	1.8
269.22659	4.3
271.20633	0.7
271.24203	1.5
281.22650	0.9
283.24075	3.0
285.22086	0.6
295.24301	2.2
297.25909	2.1
309.25674	1.3
313.25113	1.2
323.27161	0.9
335.27249	0.7
363.30475	0.9
365.32126	7.4
393.35266	1.8
405.35184	27.1
423.36209	100.0
424.36426	2.6
441.37521	1.4
537.39197	0.7
549.39386	1.5
567.40503	1.6
581.38330	7.3
599.39441	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	922.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	4.2
67.05500	75.4
69.03403	6.4
69.07072	17.4
69.33612	24.6
71.04987	2.8
72.50694	1.9
73.02885	3.9
79.05058	4.1
79.05489	55.5
81.03418	95.6
81.07056	75.7
83.04982	8.1
83.08615	20.9
85.02920	14.5
91.03929	5.3
91.05474	50.6
93.07043	65.3
95.04972	34.7
95.08603	57.0
95.89069	2.3
97.02891	8.1
97.06506	4.0
97.10143	7.6
98.59509	2.3
99.08054	3.2
103.05475	6.0
105.07034	29.7
107.04931	7.3
107.08597	36.7
109.06506	3.5
109.10143	27.2
111.08076	7.6
117.07003	7.7
118.07362	2.1
119.08574	29.0
121.06487	21.8
121.10137	30.2
123.04459	4.9
123.08064	5.3
123.11694	8.4
125.09619	6.0
126.68523	2.2
127.03941	2.8
129.07031	10.8
131.08585	19.7
133.06461	4.9
133.10115	15.5
135.11688	19.0
137.09525	2.6
141.06926	2.3
142.07854	2.4
143.08542	7.0
145.04961	3.7
145.10136	14.0
147.08000	3.0
147.11674	19.0
149.09642	6.1
149.13249	9.3
157.10136	11.2
159.11671	8.5
161.13231	6.7
163.05998	6.0
163.11171	3.4
163.14856	6.1
171.10104	2.5
171.11647	4.2
173.13249	8.5
175.11153	11.2
175.14861	3.2
181.65547	2.6
185.13214	4.2
187.14775	5.6
189.11237	6.5
193.12265	25.0
201.16240	2.5
218.60466	2.2
227.12756	6.5
232.16922	3.3
235.13312	4.8
238.36217	2.2
243.21185	4.7
249.14940	4.2
250.17732	2.4
261.22101	23.6
267.15903	99.7
273.14481	2.1
276.28061	2.7
285.21964	2.6
288.19708	6.0
301.14236	3.0
301.25250	6.3
305.28540	2.5
309.16830	4.7
317.24762	3.9
333.24130	2.8
335.25809	100.0
337.27072	2.5
383.45709	2.2
435.32648	3.4
450.58063	2.3
453.33676	12.2
471.35013	5.0
509.36136	3.0
527.37354	77.1
537.26654	2.3
545.38336	67.7
563.38824	4.8
569.38391	10.8
580.45959	4.9
584.40204	2.9
598.46478	4.5
635.39282	4.1
671.40863	4.7
742.50665	3.0
760.51154	6.3
922.45087	23.5
922.53638	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	8.1
69.03434	1.7
69.07066	7.3
70.20573	1.9
70.20975	1.8
71.01359	12.0
71.04962	0.8
73.02914	8.3
75.04474	3.6
79.05482	4.4
80.15804	0.9
81.03411	1.4
81.07059	18.2
83.08623	3.6
85.02904	35.1
91.03958	12.1
91.05469	5.7
93.07043	18.2
95.00758	1.5
95.01330	19.1
95.04976	1.4
95.08604	47.2
97.02898	11.1
97.10171	3.6
99.00839	1.6
99.04446	1.7
101.02376	23.9
101.03024	1.2
103.03945	2.5
105.07029	17.0
107.08587	28.8
109.02882	1.0
109.10158	28.2
111.08067	5.5
111.11740	1.3
113.02377	1.5
117.07004	1.6
119.08579	22.3
121.10139	20.5
123.11700	12.3
127.03912	59.9
129.07054	0.9
131.03444	1.2
131.08588	5.6
133.10130	22.8
135.11694	17.5
137.13248	3.3
139.11206	1.6
141.01828	45.5
143.08582	2.4
145.04951	55.1
145.10114	12.0
147.11682	20.9
149.13255	13.3
151.11134	1.8
157.10208	3.9
158.10953	0.9
159.02861	6.4
159.11682	13.7
161.13252	16.0
163.05995	8.6
163.14803	9.5
171.11684	3.5
173.13274	9.9
175.14833	11.2
177.03914	1.7
177.16383	17.3
179.17967	1.6
185.13239	3.0
187.14818	9.1
189.16396	13.4
191.17935	6.9
193.15907	2.0
199.14821	3.8
201.16383	22.0
201.18246	1.4
203.17941	19.1
205.15884	5.7
205.19508	3.7
207.17471	3.0
211.14838	1.5
213.16508	3.8
215.17992	9.3
217.15887	3.4
217.19501	16.1
219.17406	2.9
219.21049	1.5
225.16388	1.7
227.17975	6.8
229.19505	10.1
231.17422	1.9
231.21152	2.2
233.19044	1.0
235.20647	1.6
241.19543	3.4
243.21051	4.5
245.18964	2.4
247.20711	1.2
255.21097	4.4
257.20184	1.0
257.22604	5.0
267.21045	1.4
269.22675	5.2
271.24133	2.1
281.22678	2.0
283.24255	1.8
285.22012	0.9
285.25876	1.0
295.24115	1.4
297.25702	1.7
313.25217	1.9
353.28403	0.9
365.19931	1.3
365.32101	6.8
393.35242	1.4
405.35150	28.2
406.35605	1.3
423.36194	100.0
424.36560	3.4
441.37103	1.9
549.39282	1.2
567.40454	1.9
581.38379	6.8
599.39258	6.6
605.18182	0.9
626.09607	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.4819
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	7.5
68.05838	0.7
69.03423	3.4
69.07070	2.9
71.04974	0.7
71.59107	0.9
73.02915	3.7
79.05486	7.0
79.05904	0.6
81.03414	3.4
81.07055	8.6
82.07401	0.8
83.04974	1.2
83.08627	1.3
85.02910	5.3
86.25441	0.4
91.03951	3.0
91.05482	5.3
92.05805	0.5
93.07042	8.3
95.04974	2.5
95.08603	4.0
97.02885	5.2
97.06533	1.2
99.04460	1.0
101.02400	1.4
105.07024	4.4
107.04958	0.6
107.08604	3.5
108.08927	0.5
109.06503	1.0
109.10152	1.3
111.08142	0.6
115.03929	0.6
117.07018	1.8
119.08568	4.3
121.10163	1.7
123.08065	0.6
127.03918	1.5
127.36816	0.4
129.06989	1.1
131.08578	1.6
133.10107	2.6
135.11734	1.0
136.11975	0.8
140.37692	0.5
143.08597	0.7
145.10130	1.4
147.11694	2.4
148.12029	0.5
149.13306	1.6
158.26070	0.6
159.11693	1.3
161.13338	1.4
171.11748	1.1
173.13371	0.5
175.14851	0.7
185.04327	0.8
195.13817	0.8
201.03824	0.7
203.05353	0.7
208.20975	0.5
215.34868	0.5
235.97250	0.4
243.08533	1.5
247.13147	0.9
259.20602	1.4
267.16058	0.6
269.17545	1.7
270.18011	1.6
281.10556	0.5
301.09131	0.7
322.11707	0.9
333.24280	0.6
335.25983	1.3
347.09641	2.7
363.09213	0.8
365.10178	0.8
373.24228	0.6
405.13614	6.0
420.12772	0.5
453.19601	0.5
460.22369	1.7
460.72220	0.6
463.14410	0.7
463.30838	1.2
464.31091	0.8
465.20755	5.1
477.15891	0.7
484.11703	0.6
527.37640	1.6
528.37787	1.1
533.21509	0.8
535.28656	3.4
537.22955	0.6
544.37408	0.7
545.38611	1.5
562.38660	0.8
627.26141	6.6
657.26196	0.7
697.33807	4.3
699.28461	1.1
729.55756	0.5
759.42743	1.3
921.48126	100.0
922.48016	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	920.5572
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	2.5
67.05502	53.7
69.03434	2.3
69.07068	10.5
71.04990	17.9
73.02894	1.6
79.05489	28.5
81.03410	2.0
81.07053	80.3
82.07381	1.3
83.04961	3.2
83.08611	6.0
83.89519	1.0
84.50092	0.9
85.02900	10.0
85.06541	8.8
87.04461	1.5
91.03957	7.0
91.05476	26.6
91.06013	1.8
92.21469	1.0
93.07040	33.4
95.04968	3.4
95.08607	25.2
97.02885	6.1
97.06541	3.5
97.10176	2.7
105.04520	1.5
105.07030	16.1
107.08589	18.5
109.06477	1.5
109.10153	12.4
111.08084	2.8
117.06994	4.7
119.08557	7.9
121.10150	14.9
123.08060	1.1
123.11713	9.7
125.09634	1.3
127.03938	2.6
131.08582	8.8
132.62634	1.0
133.10130	17.3
134.10463	1.1
135.11668	10.3
143.08598	0.9
145.04944	3.1
145.10123	5.2
147.11699	5.2
149.13255	6.3
151.11174	5.5
157.10062	1.4
159.11691	7.9
161.13211	3.6
163.06020	2.6
169.12209	0.9
171.11713	1.1
173.13248	2.9
177.12755	2.5
182.87283	1.0
183.13808	2.5
185.13231	1.4
187.13290	2.5
187.14833	1.8
195.13786	1.3
201.14764	1.9
213.14908	1.2
227.16370	2.8
229.25301	1.4
243.15828	1.4
253.17961	1.1
257.17480	3.8
261.22168	2.9
269.17438	5.4
301.20087	20.7
335.21991	1.5
335.25812	17.9
393.31183	1.0
411.32520	2.2
437.33920	2.6
485.36111	3.5
503.37305	82.5
504.37698	5.1
511.37665	2.9
517.38873	3.5
529.38934	29.5
530.38660	2.2
561.41492	100.0
562.41516	4.3
705.45270	1.1
824.45374	1.1
920.52716	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5573
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	1.6
66.78863	1.4
67.05505	55.0
69.07071	11.7
70.30128	4.0
70.30543	2.9
71.04996	17.3
73.02911	1.8
79.05491	30.3
81.03406	2.8
81.07058	87.3
83.04977	3.9
83.08607	8.1
85.02907	9.0
85.06548	6.3
91.03960	5.4
91.05484	28.2
93.07043	34.5
95.04970	5.8
95.08058	1.6
95.08614	22.4
97.02882	5.0
97.06538	4.0
97.10161	3.1
99.08101	1.3
105.07022	15.6
107.08582	18.2
109.06540	3.0
109.10166	11.7
111.08099	2.1
117.07013	6.0
119.08589	7.8
121.06509	4.9
121.10136	13.8
123.08031	1.6
123.11727	9.5
127.03868	2.4
131.08577	7.9
133.10123	15.0
135.11700	7.2
143.08557	1.8
145.04947	1.8
145.10078	5.1
146.09810	1.3
147.11703	4.0
149.13249	4.7
151.11174	5.4
159.11694	5.4
161.13222	2.6
163.06041	2.8
171.11613	1.6
173.13229	2.0
175.14633	1.6
177.12744	1.6
183.13864	1.9
187.13283	2.6
195.13910	1.7
243.15918	2.2
261.22128	1.8
269.17462	4.5
283.19290	1.6
301.20038	11.3
335.25751	21.9
368.01874	1.7
485.36206	3.1
503.37296	70.6
504.37585	3.3
517.38776	3.7
529.38763	14.6
545.95642	1.4
547.40112	1.8
561.41522	100.0
562.41919	8.0
705.45123	1.8
758.49176	3.0
920.49585	2.0
938.91608	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5203
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	4.0
65.20581	1.7
67.05502	79.5
69.03416	7.2
69.07068	30.4
69.52491	1.9
71.04977	7.9
71.59303	3.7
79.05489	55.6
81.03421	21.0
81.06583	4.7
81.07053	94.3
83.04973	11.0
83.08617	21.7
85.02905	16.7
85.06521	4.2
91.03937	3.4
91.05475	43.0
93.07040	81.0
95.04964	15.1
95.08604	34.5
97.02884	7.6
97.06527	21.6
97.10146	8.5
99.08076	3.3
105.07027	33.3
107.04931	8.8
107.08592	44.1
109.06522	5.4
109.10162	11.5
111.08067	10.5
117.07005	19.0
119.08574	20.3
121.06486	5.2
121.10133	28.8
123.08030	3.3
123.11694	6.7
123.82901	2.4
125.09624	5.3
127.03888	3.6
129.06992	6.3
131.08556	23.5
133.10132	26.3
135.08064	4.4
135.11667	12.0
137.09586	3.5
141.07025	2.8
143.08527	5.0
145.04898	2.3
145.10152	11.0
147.08063	2.2
147.11688	15.2
149.09602	12.1
149.13271	25.7
151.11180	4.8
157.10121	5.1
159.11681	18.7
161.13237	7.0
163.11215	6.6
165.12730	4.4
171.11647	3.1
173.13226	5.3
175.11128	3.6
177.12737	5.0
187.14833	2.9
189.11249	3.8
193.12285	11.2
195.13800	11.7
197.13281	2.7
211.13322	13.3
227.12759	13.0
239.17972	2.8
255.15843	4.9
257.18994	9.1
259.20450	11.6
260.04559	2.5
267.15808	6.3
269.17471	71.8
275.20059	25.8
285.17050	11.8
288.72498	2.3
293.21222	4.4
333.24213	8.0
349.23672	21.7
439.26859	3.6
449.29028	21.8
463.30542	100.0
464.30814	3.9
479.29956	2.4
515.36951	3.1
525.35626	4.0
543.36786	62.0
544.36798	3.7
561.37866	15.9
607.33978	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	920.5211
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	4.2
67.05169	4.8
67.05504	54.4
69.03416	7.7
69.07073	20.2
71.04990	6.9
71.58582	3.5
71.58970	3.4
73.02868	3.0
78.04752	3.2
79.05495	59.7
81.03419	46.2
81.07055	63.8
83.04973	17.1
83.08618	24.1
85.02914	25.7
85.06558	5.9
91.03948	6.8
91.05480	81.6
93.07040	63.3
94.17387	3.5
95.04957	27.7
95.08603	36.7
97.02881	12.1
97.06540	9.4
97.10144	9.8
99.08104	3.6
105.07027	81.7
107.04958	10.1
107.08606	29.8
109.06485	5.8
109.10158	14.5
111.04474	2.5
111.08075	7.2
115.05431	4.3
117.07017	18.9
117.26746	2.5
119.08585	61.4
121.06506	14.4
121.10143	27.0
123.08044	4.7
123.11723	5.3
125.09650	3.5
129.07021	18.7
131.08546	37.6
133.10124	49.3
135.11694	17.1
141.07008	3.3
142.07709	3.6
143.08551	14.3
145.06606	3.5
145.10127	24.4
147.08061	8.1
147.11699	41.7
149.09590	10.5
149.13280	8.2
157.10152	19.7
159.11720	16.0
161.13246	22.5
163.11136	5.9
163.14839	3.7
169.10088	4.3
171.11690	12.5
173.09607	3.0
173.13281	9.6
175.11159	10.7
175.14772	7.9
183.11607	3.8
184.07411	3.1
185.11740	2.9
185.13283	12.6
187.11211	3.4
187.14738	3.0
193.12239	27.8
199.14880	5.9
211.13258	32.6
227.12746	3.7
231.21089	6.2
241.19576	23.0
259.20566	72.9
267.15948	22.6
269.17386	4.8
285.16925	51.5
315.23181	10.0
333.24277	58.7
339.23425	3.6
433.31049	7.6
451.31949	7.9
469.33023	3.4
515.36719	4.1
525.35901	33.0
543.36786	100.0
561.37805	5.2
596.34698	8.0
677.77716	3.2
723.04193	3.1
758.45898	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	920.5209
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	5.5
67.05503	65.7
69.03404	7.4
69.07055	21.6
69.85723	4.9
69.86135	13.0
71.04993	6.0
73.02889	6.9
79.05491	75.9
81.03413	68.5
81.07051	72.3
83.04990	22.4
83.08620	30.6
85.02908	39.2
85.06534	7.1
91.03954	11.3
91.05479	97.2
93.07040	73.6
95.04965	39.3
95.08606	40.8
97.02877	15.2
97.06527	11.2
97.10172	10.5
99.04495	2.5
103.05455	3.1
105.07027	85.2
107.04945	11.0
107.08588	32.9
109.06499	8.6
109.10162	16.0
111.04459	3.6
111.08077	11.2
115.05441	5.2
117.07025	19.4
119.08582	65.5
121.06501	24.3
121.10146	35.4
123.08064	5.0
123.11731	5.7
125.09634	5.4
127.03893	3.6
128.06218	3.4
129.07018	26.9
130.07742	3.7
131.08575	39.5
133.06491	4.4
133.10133	57.1
135.08035	3.0
135.11685	23.6
137.09619	4.7
142.07819	5.2
143.08556	15.1
145.06548	2.6
145.10101	28.6
147.08046	4.4
147.10645	4.4
147.11690	50.2
149.09676	11.8
149.13283	12.3
155.08519	5.1
157.10121	27.2
159.11678	17.7
161.13220	23.4
163.06128	2.7
163.11108	3.8
163.14819	3.7
163.36453	2.6
165.12872	3.5
167.08481	2.9
169.10106	4.1
171.11674	11.8
173.13232	8.4
175.11191	23.5
175.14803	9.4
183.11725	5.7
185.13235	7.7
187.14789	2.7
193.12248	40.1
199.14787	5.7
211.13283	53.5
227.12750	8.5
229.14206	3.2
231.20982	5.9
241.19518	28.8
257.18811	4.7
259.20560	61.1
267.15863	24.6
269.17584	4.2
275.20108	5.4
277.21640	3.2
283.15372	5.7
285.16962	69.9
297.22287	3.0
299.23813	2.7
315.23276	4.5
333.24228	54.9
433.30905	10.2
451.32004	12.4
469.32986	4.3
515.37457	4.2
525.35773	35.4
526.36322	3.9
543.36835	100.0
561.37585	5.9
596.35730	28.9
651.39349	3.3
669.39355	4.8
819.10358	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	917.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	1.4
67.05498	0.5
69.03423	1.4
70.62833	0.7
70.63171	0.6
71.04976	2.0
81.03415	0.6
83.04962	0.9
85.02899	4.8
91.05463	0.6
93.03391	2.0
95.04958	0.6
97.02885	17.2
103.05448	1.1
105.03394	0.7
105.07037	1.6
107.04971	0.8
119.04915	1.5
121.02871	2.6
124.05209	1.0
127.03915	0.9
129.05476	0.5
129.07042	0.6
131.04861	0.8
132.05696	1.2
133.02859	0.7
133.06499	1.2
135.04376	0.5
138.06766	1.2
139.03883	0.6
139.07503	0.9
145.06483	0.5
146.92409	0.5
147.04424	1.3
148.05170	3.9
149.02315	2.0
153.01825	2.3
160.05167	1.1
161.05980	1.0
163.07539	10.5
165.01810	1.6
165.05470	0.7
167.03400	9.1
167.07024	0.4
172.08833	0.7
176.04677	1.4
177.09178	0.6
183.02902	0.6
189.09045	0.6
191.07022	57.7
192.07356	0.7
201.09071	0.5
202.09828	0.6
203.07037	0.6
203.10641	2.6
213.05490	1.2
213.09018	2.4
221.07936	0.5
231.06580	0.8
231.10103	2.1
241.04965	0.8
241.08589	1.6
258.05252	0.9
259.09723	4.0
287.05493	100.0
288.05872	1.6
305.10223	6.7
323.11227	0.5
329.06494	1.4
733.25098	0.6
774.71014	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	16.3
69.03404	3.4
69.07062	4.9
69.67021	5.0
69.67435	1.7
71.04991	2.6
74.07983	0.9
78.28241	0.9
79.05491	17.9
81.03414	43.8
81.07047	15.0
81.57060	0.9
81.91271	1.0
83.04980	4.4
83.08614	15.8
85.02901	3.6
85.06528	1.6
91.03938	1.6
91.05466	13.6
93.07040	12.0
95.04954	17.3
95.08599	7.8
97.02868	2.2
97.06533	2.8
97.10168	12.9
98.21477	2.0
103.05460	1.2
105.07028	10.8
107.04951	12.3
107.08593	10.1
109.02819	1.1
109.06525	9.3
109.10147	4.2
111.04438	1.3
111.08066	4.6
115.05437	1.5
117.07014	3.8
117.07816	1.0
119.04920	1.2
119.08582	9.9
121.06501	9.7
121.10126	5.7
123.04420	2.3
123.08064	3.7
125.09607	10.7
126.33351	1.0
129.06992	9.2
131.04907	2.0
131.08572	8.9
133.06474	2.9
133.10118	5.4
135.08076	5.3
135.11707	2.1
137.05951	2.5
137.09613	2.1
139.03896	2.1
141.06929	1.1
142.07768	1.7
143.08588	2.4
145.06535	4.8
145.10112	3.7
147.08072	4.7
147.11656	5.9
149.05983	1.0
149.09610	4.0
153.09090	2.0
155.08490	1.3
157.06528	2.0
157.10086	6.3
159.08044	1.7
159.11646	1.7
161.05991	2.2
161.09645	2.0
163.07599	1.2
163.11212	2.4
165.12746	1.5
169.10110	1.3
171.08089	2.0
171.10272	1.1
171.11656	1.8
173.09662	1.3
175.07532	1.3
175.11185	6.2
183.11687	1.1
187.11121	1.5
187.14821	1.1
189.11205	6.9
189.12695	1.7
193.12259	16.4
195.11740	1.1
199.11266	1.1
199.13266	1.1
205.12260	1.3
211.11072	1.1
211.13248	1.6
212.62994	1.0
215.14320	1.8
219.13797	2.6
223.11159	1.1
225.12759	1.1
227.12704	2.4
233.15324	3.3
239.14352	1.2
255.13860	1.8
259.13217	2.1
267.15894	48.4
268.16135	1.2
273.14713	6.2
293.17383	1.3
309.16776	1.6
339.00146	1.1
339.23080	3.4
349.21585	3.7
357.24292	2.1
367.22620	12.8
367.26837	1.6
385.18759	1.3
385.23676	18.7
403.24695	7.4
405.59784	1.4
441.26315	9.7
459.27383	100.0
460.27728	2.9
477.28464	82.0
478.28601	3.7
491.30136	12.6
501.28378	5.9
509.30963	4.1
513.28253	1.7
543.29541	1.5
555.29358	2.2
566.01563	1.2
567.29590	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	1.4
67.05498	0.5
69.03423	1.4
70.62833	0.7
70.63171	0.6
71.04976	2.0
81.03415	0.6
83.04962	0.9
85.02899	4.8
91.05463	0.6
93.03391	2.0
95.04958	0.6
97.02885	17.2
103.05448	1.1
105.03394	0.7
105.07037	1.6
107.04971	0.8
119.04915	1.5
121.02871	2.6
124.05209	1.0
127.03915	0.9
129.05476	0.5
129.07042	0.6
131.04861	0.8
132.05696	1.2
133.02859	0.7
133.06499	1.2
135.04376	0.5
138.06766	1.2
139.03883	0.6
139.07503	0.9
145.06483	0.5
146.92409	0.5
147.04424	1.3
148.05170	3.9
149.02315	2.0
153.01825	2.3
160.05167	1.1
161.05980	1.0
163.07539	10.5
165.01810	1.6
165.05470	0.7
167.03400	9.1
167.07024	0.4
172.08833	0.7
176.04677	1.4
177.09178	0.6
183.02902	0.6
189.09045	0.6
191.07022	57.7
192.07356	0.7
201.09071	0.5
202.09828	0.6
203.07037	0.6
203.10641	2.6
213.05490	1.2
213.09018	2.4
221.07936	0.5
231.06580	0.8
231.10103	2.1
241.04965	0.8
241.08589	1.6
258.05252	0.9
259.09723	4.0
287.05493	100.0
288.05872	1.6
305.10223	6.7
323.11227	0.5
329.06494	1.4
733.25098	0.6
774.71014	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	5.0
67.05503	68.5
69.07056	14.2
69.37682	18.1
69.38106	6.9
71.04987	6.5
73.02930	3.1
76.06460	2.6
79.05494	95.9
81.03404	12.0
81.07059	76.9
83.04981	15.1
83.08593	9.9
85.02895	6.1
85.06533	7.2
91.03949	4.8
91.05482	90.1
93.07044	92.6
95.04978	22.7
95.08611	46.5
97.02872	4.4
97.06518	7.7
97.10190	4.7
98.21550	5.6
103.05422	4.3
105.07028	90.8
107.04931	7.9
107.08598	44.4
109.06516	7.3
109.10172	14.5
111.08081	4.0
115.05428	5.1
117.07018	25.5
119.08591	71.2
121.06519	3.2
121.10142	19.0
123.08080	6.8
128.06158	3.2
129.07016	22.2
130.07787	2.7
131.08560	22.9
133.10135	39.7
135.08028	3.3
135.11685	15.9
137.09636	4.6
143.08565	17.7
145.09062	3.2
145.10130	29.3
147.08009	6.6
147.11694	77.2
149.13261	9.0
155.08540	3.1
157.10114	10.9
159.11685	22.2
161.09639	6.7
161.13251	37.8
163.14815	3.7
165.89648	2.5
169.10118	6.8
171.11705	33.6
173.13254	15.3
175.14830	15.9
177.12802	4.4
183.11627	2.6
185.13258	10.0
189.12688	13.2
199.14777	6.4
203.39856	3.1
207.13815	23.7
213.16475	3.9
231.20952	5.7
241.19496	35.8
257.19061	5.0
259.20581	78.4
279.15967	22.4
281.17490	85.9
315.23148	8.8
318.28751	2.6
319.42416	3.6
333.24240	50.6
396.03119	2.7
447.32581	9.1
465.33633	8.4
483.34418	7.9
521.36200	7.6
529.38470	3.6
537.34570	2.8
539.37305	100.0
540.37225	6.2
557.38269	37.1
697.78729	2.6
828.43243	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	916.5479
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03971	2.1
67.05508	42.4
69.03410	4.1
69.07063	11.5
71.04976	2.3
71.08640	19.0
73.02905	4.0
76.01189	1.5
79.05493	12.9
80.29330	1.6
81.03415	4.4
81.07063	27.0
83.04984	2.3
83.08622	13.3
85.02910	18.2
85.06542	2.5
85.10186	10.6
87.04453	6.5
89.05968	1.6
91.03943	6.7
91.05474	6.5
93.07076	8.2
95.04967	2.8
95.08605	21.7
97.02865	6.0
97.06503	2.9
97.10165	17.1
98.21524	3.3
105.07024	3.9
107.04984	1.9
107.08594	9.1
109.02842	1.9
109.10158	38.9
111.08036	1.7
117.07017	2.4
119.08575	5.4
121.10092	1.7
123.11674	3.4
123.42579	1.8
125.09640	15.3
127.03992	2.3
135.11687	2.3
143.10635	3.6
145.04930	2.9
145.10185	2.2
149.13289	1.9
163.05963	3.2
163.11220	3.5
173.11729	10.0
191.10773	2.3
193.12341	1.6
199.13254	11.5
200.76746	1.5
209.11794	2.5
223.13214	2.0
227.12773	6.6
229.14360	51.0
229.23045	2.4
239.23808	4.3
257.13828	2.1
257.24646	2.5
267.15982	2.7
283.15353	2.2
297.17133	2.4
301.16489	22.0
313.27362	100.0
335.25778	5.4
341.27066	2.1
437.36121	5.7
455.37347	15.6
467.37393	28.8
486.75873	2.1
521.37854	3.1
539.39246	12.8
557.38812	4.0
590.22369	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03908	1.5
67.05498	1.6
68.99787	9.4
69.92373	5.7
81.03400	4.8
95.04943	2.6
98.21472	1.4
105.03394	2.5
109.02888	8.7
111.00809	10.7
112.42323	1.1
113.61521	1.3
121.02808	2.2
123.04436	20.6
127.03911	75.8
133.02849	5.6
135.04405	3.5
137.06027	1.3
137.67570	1.1
139.03896	100.0
140.04218	1.9
145.06447	1.4
147.04404	9.2
149.02351	4.8
151.03897	54.9
153.01814	3.2
153.05475	1.5
155.03394	15.0
156.82851	1.2
157.02791	1.3
157.06523	2.2
161.02356	2.0
161.05997	2.4
163.02687	1.7
163.03893	10.4
165.05446	3.4
167.03429	2.5
169.04942	2.2
171.04446	4.0
173.05986	2.3
175.03891	14.9
177.05482	7.9
179.03394	55.3
181.04950	4.1
183.04419	1.5
185.06003	2.1
189.05472	4.8
191.03354	9.2
193.04958	3.2
199.03960	6.1
201.05518	4.8
203.03404	21.1
205.04987	3.5
213.05389	7.0
215.03436	1.8
217.04941	7.9
223.02344	3.3
225.05379	1.5
227.03447	2.2
229.04987	6.6
231.06500	3.7
233.04369	3.9
241.04938	5.2
243.06607	1.3
245.04454	72.3
246.04778	1.9
247.05920	2.4
253.04950	2.1
257.04440	23.7
258.05069	1.5
259.05972	5.2
263.05478	39.2
269.04526	7.2
271.05948	2.9
273.03937	1.8
275.05518	23.5
277.07202	6.8
281.04437	2.0
283.06055	1.9
285.03836	1.5
287.05478	57.4
288.06213	2.0
289.06961	2.9
295.05988	1.6
297.03900	1.9
299.05557	17.1
305.06534	26.3
307.08224	10.3
311.05261	1.9
317.06549	21.9
321.07465	1.7
329.06573	2.7
331.05508	1.4
339.04953	2.6
351.04776	1.8
377.06516	1.9
381.06433	1.6
393.06039	2.3
395.07739	2.3
399.07028	2.0
405.05896	5.7
407.07611	1.9
413.08514	3.4
423.07117	16.9
425.08633	21.5
435.07050	3.2
437.08405	1.8
441.08151	10.2
443.09760	28.8
447.07373	1.8
453.08023	3.6
465.07941	3.9
467.09671	4.0
485.10507	1.3
500.80280	1.4
561.09790	3.8
567.11194	1.4
573.09698	1.9
611.13660	1.8
618.15277	1.3
654.69720	1.5
747.15729	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	915.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	1.5
67.01894	1.0
68.99785	14.4
71.09850	1.7
71.10185	1.3
76.06917	1.0
81.03408	4.1
83.04927	1.2
85.02907	1.2
91.05473	1.1
95.04977	2.1
105.03385	2.4
109.02865	5.9
111.00787	15.5
111.04427	1.7
119.04966	1.1
121.02857	2.0
123.04425	20.0
127.03915	91.9
128.04195	1.8
130.53105	1.0
133.02869	7.0
133.06396	1.2
134.21146	1.1
135.04384	2.3
137.06006	1.0
139.03900	100.0
140.04216	1.0
144.55341	1.0
147.04372	8.8
149.02333	4.0
149.05949	0.9
151.03899	48.1
151.05127	2.3
153.01848	3.7
153.05455	1.7
155.03409	7.6
159.04361	2.4
161.02232	1.4
161.05984	2.6
163.03893	10.8
165.05452	2.0
167.03384	2.2
169.04938	4.8
171.04405	1.8
173.05865	1.4
175.03912	16.1
177.05461	9.9
179.03386	63.3
180.03767	1.2
181.04951	3.5
185.06053	1.8
187.03870	2.5
189.05505	5.3
191.03416	10.7
193.04970	3.0
197.05954	1.9
199.03893	5.5
201.05424	4.3
203.03384	30.1
203.06943	1.0
205.04932	2.5
213.05370	4.9
215.03394	3.0
215.06865	1.1
217.04976	8.0
223.02345	4.6
225.05576	1.8
227.03401	2.4
229.04950	7.1
231.06552	2.5
233.04443	4.2
234.47482	1.0
241.04961	5.3
245.04453	92.4
246.04834	2.9
247.06009	3.0
251.05428	1.5
257.04489	18.0
258.05096	1.8
259.06018	3.8
263.05493	51.2
269.04434	6.3
271.05896	5.5
273.04099	1.1
275.05524	24.9
277.07129	2.7
281.04529	2.0
285.03857	2.3
287.05487	64.7
288.05844	1.9
289.07083	2.2
295.05936	1.9
297.03918	2.7
299.05487	21.8
301.07001	1.8
303.06216	1.6
305.06555	25.9
307.08286	12.0
309.04108	1.1
311.05338	2.3
317.06558	13.4
321.07333	1.7
323.05493	1.4
327.05035	1.4
329.06546	1.9
339.05106	1.2
349.07040	1.6
351.04700	1.4
377.06689	1.4
393.06152	4.0
395.07449	2.1
399.07050	1.5
405.06177	7.0
407.07510	2.4
411.06851	1.4
413.08636	6.0
417.05792	1.5
423.07172	20.3
425.08670	17.6
435.07263	4.9
437.08554	1.3
441.08099	9.5
443.09671	16.6
453.08182	3.8
465.08072	3.8
467.09708	3.0
485.10608	1.2
523.88440	1.3
543.09467	2.5
549.10425	1.8
561.10040	4.0
573.10779	1.9
603.11517	1.1
729.14020	2.1
747.15509	1.3
836.79346	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5673
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	11.1
69.07070	6.2
70.65485	4.8
71.08295	1.4
71.08638	15.5
73.02919	1.4
79.05498	6.5
81.03418	51.6
81.07052	15.3
83.04950	2.1
83.08619	16.7
85.02911	6.4
85.10188	10.1
91.03944	3.6
91.05476	7.9
93.07042	4.9
95.04961	17.7
95.08612	14.6
97.02872	3.9
97.10178	4.3
101.20424	1.3
105.07042	8.8
107.04948	3.2
107.08576	2.6
109.06547	1.4
109.10146	8.3
111.08081	4.1
119.08586	6.7
121.06535	2.1
121.10128	3.4
123.11723	3.3
127.03931	2.1
129.07001	5.8
131.08565	5.4
133.06500	2.3
133.10109	3.0
138.37129	1.3
145.04985	2.1
145.10007	1.9
147.07941	1.6
147.11674	4.3
149.09651	2.2
157.10110	5.8
171.70372	1.4
175.11209	4.1
193.12257	22.0
235.13437	1.8
239.23763	1.3
240.27898	1.5
259.13416	1.8
267.15921	97.2
268.16327	2.8
273.14938	1.4
301.14233	2.2
309.17044	2.7
313.27356	100.0
314.27710	2.0
505.38879	85.6
506.39081	4.6
547.39771	5.6
601.41632	1.8
613.40997	2.3
631.41852	1.5
742.49487	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5676
Annotation	Unknow
Peak:m/z	Relative Intensity
65.49135	0.6
67.05505	10.3
67.80762	0.6
68.52762	0.6
69.03416	1.4
69.06725	0.8
69.07069	6.5
69.32698	7.8
71.04986	1.3
71.08634	15.2
73.02896	1.0
79.05486	6.7
79.94736	0.6
81.03418	49.8
81.07056	13.2
83.04971	1.9
83.08148	1.1
83.08617	15.1
85.02898	4.4
85.06545	0.8
85.10183	9.5
89.06025	1.2
91.03951	3.2
91.05470	8.2
91.99679	0.6
93.07043	4.5
95.04970	15.6
95.08603	13.4
97.02884	2.8
97.06499	1.4
97.10162	3.5
99.08068	0.8
103.07578	1.5
105.07019	7.0
107.04967	3.4
107.08563	2.3
109.02878	1.1
109.06543	2.3
109.10155	6.4
111.04426	0.8
111.06342	0.6
111.08067	3.6
115.05486	1.0
117.07032	1.3
119.08587	7.2
121.06465	1.9
121.10127	3.8
123.04411	1.6
123.08086	1.1
123.11681	2.1
125.09607	0.9
127.03916	1.0
129.07027	4.6
131.08589	3.9
133.06506	1.7
133.10118	3.2
137.13269	1.2
142.07750	0.8
145.04971	1.1
147.08054	1.7
147.11638	3.4
149.09619	3.1
157.10129	4.0
163.06004	2.8
163.11159	0.8
165.12708	1.5
175.11171	5.5
181.04703	0.7
193.12253	17.2
205.12352	0.8
211.13246	1.5
235.13380	1.1
239.23755	1.4
249.14873	1.5
257.24658	1.9
259.13275	1.7
267.15915	100.0
268.16238	1.4
273.14886	1.6
309.16980	2.9
313.27356	93.8
314.27686	1.9
333.17014	1.3
375.18207	0.9
505.38882	86.1
506.39395	3.3
523.39478	1.6
547.40045	5.5
565.41547	1.1
571.40015	0.8
589.40796	1.0
601.41052	1.7
613.40381	1.5
631.41681	2.5
780.43536	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	0.7
68.99800	3.7
70.26880	1.4
70.27277	0.9
81.03406	1.7
108.92082	0.5
109.02863	1.7
110.41563	0.6
111.00795	2.6
121.02863	1.2
123.04467	2.8
125.02321	0.6
125.85419	0.6
127.03915	19.8
133.02820	1.8
135.04364	1.3
139.03905	21.8
140.31377	0.6
141.83661	0.5
143.03438	0.6
145.06467	1.1
147.04407	2.0
149.02310	5.2
150.03168	0.6
151.03905	8.0
153.01833	10.9
155.03380	1.6
157.06505	0.6
159.04417	1.7
161.06026	1.0
163.03888	3.9
165.01843	0.9
167.03398	2.0
171.04483	0.9
173.06012	1.3
174.03328	0.7
175.03905	3.7
177.01819	0.9
177.05446	2.8
179.03394	8.9
181.04910	1.6
183.04391	0.6
187.03799	1.2
189.05458	1.4
190.68275	0.6
191.03423	2.9
193.04942	0.8
197.05937	0.6
199.03903	1.7
201.05479	2.8
203.03374	5.3
205.04985	1.1
213.05472	2.5
215.03464	1.2
217.04930	1.8
219.02925	1.8
227.03413	1.3
229.04967	5.3
231.06702	0.7
233.04520	1.1
241.05040	1.7
245.04440	4.7
245.86417	0.7
247.05960	3.7
253.04997	0.8
257.04446	7.8
259.05984	1.7
261.03992	2.4
263.05499	8.2
269.04547	2.2
271.05994	1.3
273.03937	2.2
275.05481	4.0
285.03937	4.2
287.05496	13.9
289.06998	1.0
297.03900	1.5
299.05612	3.1
302.04236	0.9
303.04999	100.0
304.05353	2.2
305.06433	2.1
315.05017	8.2
317.06500	2.6
327.04929	1.9
345.05670	0.5
389.06662	0.7
393.06348	0.8
405.06134	1.0
407.07587	0.7
408.72296	0.6
423.07306	2.3
425.08606	2.5
428.57730	0.6
435.06976	1.2
437.30188	0.6
439.06461	2.1
441.08185	31.6
442.08652	0.8
443.09436	1.3
447.07098	0.9
453.08185	3.7
455.10233	0.7
465.08054	1.1
483.09207	5.5
559.08575	1.5
577.09735	4.8
589.09106	1.3
591.11554	1.6
601.09875	1.3
619.10657	1.7
727.12256	1.9
745.13385	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	914.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03909	1.5
67.05505	19.8
69.07073	12.4
69.19080	1.6
70.32327	1.3
71.04248	3.3
79.05495	23.0
81.03402	6.5
81.07043	23.1
83.04978	6.2
83.08609	2.9
85.06522	2.3
91.05478	27.4
93.07038	23.1
95.01313	4.9
95.04965	8.3
95.08610	16.9
97.06525	16.3
97.10174	2.8
105.07021	32.9
106.90862	1.4
107.04944	9.0
107.08586	9.6
109.06526	2.3
109.10150	4.3
110.14320	1.5
111.53554	1.3
117.06989	9.2
119.08596	17.3
121.10135	3.6
123.08049	2.8
129.06961	5.6
131.08571	7.6
133.10136	18.0
135.08022	2.4
135.11711	2.4
143.08516	4.1
145.10120	10.9
147.11705	14.4
149.09596	4.5
149.13297	2.3
159.11732	3.6
161.09662	1.6
161.13272	4.5
163.11130	2.0
171.11668	8.2
173.13338	2.2
177.12729	2.0
179.14301	5.4
187.11223	2.1
207.13730	3.6
257.18811	1.8
263.16287	1.9
275.20041	37.9
276.20596	1.6
279.15939	2.8
281.14606	2.9
281.17474	29.5
293.21146	3.8
302.54440	1.4
349.23740	16.8
531.53113	1.7
537.35773	3.2
555.36786	100.0
556.36853	6.1
573.37915	2.0
593.37738	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
63.40087	0.4
63.52924	0.5
68.99783	3.3
70.06410	2.8
81.03429	0.9
89.39277	0.5
93.22155	0.5
95.04939	0.6
97.02948	0.6
98.20874	0.8
101.65631	0.5
109.02860	1.3
111.00800	2.8
111.04450	1.1
121.02831	1.5
123.04405	4.1
127.03901	10.0
133.02782	1.0
135.04346	0.6
137.02325	0.8
139.03893	30.3
143.03384	0.7
143.80237	0.6
145.06482	0.8
147.04391	2.1
149.02336	5.9
150.03072	0.7
151.03891	6.4
153.01820	13.6
153.02995	1.1
155.03368	2.2
155.04773	0.9
159.04408	0.8
161.02347	0.8
163.03941	5.5
165.01863	1.1
167.03372	0.8
171.04428	0.9
173.05998	1.0
175.03943	2.6
177.01886	0.6
177.05489	1.5
179.03378	9.5
181.04936	1.0
181.58934	0.5
183.04436	1.0
185.05846	0.6
187.03934	1.5
189.05479	1.5
191.03403	6.4
193.04968	1.7
195.99591	0.6
199.03851	1.0
201.05452	3.1
203.03423	3.6
205.04980	2.3
211.03897	1.5
213.05443	3.3
215.03395	2.3
217.04939	2.2
219.02896	4.5
223.02380	1.1
225.05424	0.7
227.03450	0.8
229.04970	7.7
231.06499	1.1
233.04425	2.8
237.03876	0.6
239.03293	0.6
241.05020	1.1
245.04474	6.7
247.06088	4.0
253.04999	1.1
257.04428	23.8
258.05099	1.6
259.05811	0.8
261.03952	4.0
263.05475	6.8
269.04385	2.1
271.05945	2.2
273.03976	0.8
274.04694	1.0
275.05447	10.2
281.04453	1.3
285.03885	5.5
286.04660	1.1
287.05511	9.2
289.07071	0.8
297.04083	1.2
299.05466	11.3
299.08609	1.0
301.07208	0.6
302.04218	1.3
303.04974	100.0
304.05319	3.4
305.06512	3.7
315.04916	2.1
317.06546	10.4
323.05441	0.8
327.05011	1.7
351.04794	0.6
377.06805	0.9
381.05807	0.8
389.06735	1.0
393.06116	1.9
405.05972	1.3
407.07645	2.2
411.07181	3.7
417.06076	0.9
423.06982	0.9
425.08548	7.3
427.06415	0.7
429.08139	9.3
433.05331	1.6
435.06927	1.0
439.06360	2.1
441.08176	3.8
443.09790	4.7
445.05508	1.0
451.06570	1.6
453.08249	1.2
463.06516	2.4
467.09006	1.5
481.07562	0.9
541.07379	0.9
559.08563	8.6
565.09790	15.6
566.10242	0.7
571.08820	1.3
577.09283	1.7
589.09601	4.7
601.09540	1.9
602.97833	0.7
619.09650	0.7
709.11859	1.6
727.12897	10.8
745.14209	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	910.5725
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	12.7
69.03418	2.7
69.07069	5.5
69.86169	1.0
71.04985	2.0
71.08614	15.0
71.09187	0.8
73.02891	2.1
79.05484	9.9
81.03416	34.4
81.07054	20.7
83.04984	6.3
83.08144	1.4
83.08615	20.7
85.02905	17.0
85.06528	1.1
85.10187	11.7
89.29712	1.0
91.03943	6.4
91.05485	14.6
93.07056	9.1
95.04964	14.1
95.08601	16.4
95.79038	0.9
97.02889	5.6
97.06544	2.3
97.10161	5.9
99.04484	1.2
99.08086	1.4
103.07615	1.0
105.07030	8.4
107.04951	3.3
107.08571	3.2
109.06506	2.0
109.10152	6.3
111.04388	1.6
111.08072	5.3
111.11729	1.8
113.06039	1.7
115.05376	1.0
119.08566	8.7
121.10146	5.9
123.08058	1.3
123.11709	4.0
127.03883	1.8
129.07021	5.7
131.08568	7.1
133.06505	1.4
133.10158	7.3
136.67941	0.9
137.13254	1.4
142.07724	2.0
145.04984	1.9
145.10085	1.5
147.08031	2.3
147.11671	10.6
149.09596	3.6
157.10129	10.7
163.05977	2.8
165.12753	2.1
175.11165	10.7
193.12239	33.5
211.13281	44.6
212.13628	1.1
267.15894	15.4
285.16953	62.7
286.17160	1.3
324.80667	0.8
341.30493	65.3
342.30695	1.8
458.49295	0.9
533.41974	14.3
551.43042	100.0
552.43097	5.5
844.40375	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03949	0.9
68.99781	4.1
69.92222	3.5
69.92634	1.4
79.05469	0.9
79.94412	0.9
80.31100	0.7
81.03403	0.9
85.02901	1.0
87.54786	0.8
88.88184	0.7
98.21459	1.3
103.36592	0.7
107.04987	1.1
109.02875	1.6
111.00829	3.2
111.04535	0.9
112.11569	0.9
121.02866	1.9
123.04436	4.0
125.02381	1.0
127.03927	12.4
133.02855	1.7
135.04404	1.0
139.03905	35.3
143.03447	1.0
145.06494	0.9
147.04414	3.6
149.02332	6.7
150.03128	1.5
151.03899	9.3
153.01823	11.8
155.03407	2.7
161.06068	1.2
163.03893	6.7
165.05556	0.9
167.03389	1.1
169.06410	0.9
173.06017	2.1
174.34995	0.8
175.03920	2.9
177.05493	2.6
179.03395	12.8
181.06514	0.9
183.04451	1.8
187.03926	1.7
189.05542	2.3
191.03424	6.9
193.05020	2.0
199.03912	2.0
201.05457	4.2
203.03400	6.1
205.04994	2.2
211.03789	1.1
213.05486	2.7
215.03429	2.0
217.04991	2.6
219.02907	5.2
225.05557	1.3
229.04961	8.4
231.06525	1.4
233.04471	3.0
237.03957	1.1
239.03487	1.1
243.02911	1.3
245.04448	9.2
247.06116	5.1
251.11366	0.9
253.04947	1.1
257.04449	27.9
257.07089	1.8
258.05069	1.9
259.05957	1.7
261.03958	2.8
263.05490	6.6
269.04428	2.9
271.06018	2.3
273.03885	1.3
274.04758	1.1
275.05481	10.4
281.04288	1.7
285.03986	5.2
287.05475	11.5
297.04126	1.1
299.05460	12.7
302.04117	1.2
303.04999	100.0
304.05200	2.0
305.06732	4.3
311.05603	1.2
315.04916	1.4
317.06534	11.0
323.05539	1.8
327.04877	1.6
329.06747	0.9
377.06592	1.3
389.06482	1.5
393.06021	2.7
405.05692	1.8
407.07489	2.3
411.07227	3.3
423.07199	1.7
425.08719	8.7
429.08179	10.5
433.05557	1.1
435.06888	1.5
439.06900	1.8
441.08127	3.2
443.09650	3.5
451.06467	1.2
463.06262	3.0
467.09439	1.7
559.08795	7.7
565.09937	16.5
577.09442	2.2
589.09174	3.9
601.09729	2.2
709.12067	1.6
727.13013	8.9
745.13910	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	909.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	0.6
67.05500	4.1
67.75753	0.6
69.03432	4.3
69.07052	1.3
70.75932	0.5
71.04988	0.8
71.58994	0.8
73.02905	4.8
78.51543	0.5
79.05498	2.6
81.03422	2.7
81.07050	3.2
85.02909	8.3
86.50290	0.8
91.03963	4.6
91.05484	1.7
93.07037	3.2
95.04978	1.6
95.08620	3.0
97.02894	7.3
99.04466	1.2
101.02397	2.1
102.91615	0.5
105.07051	2.4
107.08606	2.6
109.02893	1.0
109.10159	0.9
115.03978	0.6
119.08635	0.9
121.10175	1.3
122.65848	0.6
127.03909	2.0
131.08575	0.7
133.10135	0.7
135.11662	0.7
145.10133	0.8
193.12357	0.9
203.05367	1.1
241.66661	0.7
243.08490	2.1
310.38910	0.7
335.25772	1.0
347.09589	1.7
363.09271	0.7
365.10623	1.0
405.13663	4.8
469.20703	3.1
519.29395	4.7
631.25897	3.3
681.34949	7.2
747.43103	1.8
809.73425	0.7
909.48120	100.0
910.48743	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	909.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	2.5
69.03435	3.4
69.07072	0.4
69.50736	0.3
69.54684	0.6
69.55091	2.0
71.04982	0.4
73.02919	3.4
79.05493	2.5
81.03416	3.2
81.07046	2.7
82.07426	0.3
83.08626	0.6
85.02901	6.5
91.03959	3.5
91.05490	2.1
93.07032	1.8
95.04971	1.2
95.08614	2.0
95.35058	0.3
97.02886	5.4
99.04469	0.7
105.07052	1.2
107.08618	0.9
109.02876	0.8
109.10207	0.4
119.08582	1.2
121.10161	1.0
122.92474	0.4
127.03894	1.9
129.06996	0.6
131.08586	1.2
132.71030	0.3
133.10097	0.8
135.11679	0.6
147.11713	0.6
157.10152	0.5
175.11176	0.4
185.04274	1.3
193.12309	1.0
203.05225	0.7
211.13434	0.4
218.60458	0.3
235.27347	0.3
243.08440	2.0
251.12485	0.4
269.12524	0.4
307.15298	0.5
340.19846	0.4
344.21994	0.3
347.09488	2.3
363.09033	0.9
365.10699	1.0
405.13666	4.4
421.12521	0.3
469.20486	6.3
519.29309	3.5
593.63812	0.4
631.25684	6.2
631.35553	0.4
681.34637	3.7
739.37262	0.5
747.43018	1.0
909.48151	100.0
910.48157	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	910.52
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	17.9
69.07068	8.4
71.08596	1.5
71.58569	2.3
78.89010	1.5
79.05486	6.9
81.07052	19.3
83.08616	5.6
91.05486	4.8
93.07049	5.7
95.08619	16.4
97.10163	2.8
98.98442	9.1
105.06980	2.0
107.08577	5.3
109.10139	4.5
119.08580	3.2
121.10145	3.9
123.11654	3.1
133.10133	2.8
135.11687	2.6
147.11617	2.1
155.01079	4.7
191.69073	1.7
198.05286	3.6
216.06229	2.5
253.64702	1.5
263.23691	5.0
306.27896	11.5
337.27368	100.0
338.27826	2.1
417.23853	4.1
460.28287	25.3
461.28104	1.8
478.23151	2.8
478.29385	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.5727
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	16.5
68.67799	0.7
69.03428	4.1
69.07063	7.9
69.91566	1.0
71.04990	3.4
71.08633	12.6
73.02910	3.0
79.05489	11.9
81.03414	36.2
81.07054	22.7
83.04971	7.6
83.08620	19.1
84.13393	0.8
85.02905	22.0
85.06557	1.2
85.10180	8.2
90.59480	0.9
91.03949	5.5
91.05478	17.7
93.07048	9.2
95.04968	13.7
95.08594	18.3
97.02866	6.4
97.06515	1.9
97.10168	7.0
98.20763	1.8
99.08095	2.2
105.07018	9.6
107.04950	3.3
107.08599	3.0
109.06498	2.0
109.10134	8.0
111.08099	5.5
111.11687	2.2
113.06023	2.2
117.07011	1.2
119.08576	9.8
121.10134	5.4
123.08043	1.2
123.11715	3.8
125.09689	0.9
127.03918	2.1
127.07559	0.8
129.07005	5.2
131.08604	6.3
133.10130	7.1
134.99922	0.9
137.09645	1.5
137.13275	2.2
142.07748	1.0
145.04977	2.8
147.08032	1.9
147.11681	10.0
147.68156	0.9
149.09590	4.3
157.10121	9.8
161.86267	0.9
163.06026	2.5
163.11212	1.1
175.11205	11.5
193.12241	28.3
194.52298	1.0
209.69113	1.0
211.13290	41.1
267.15897	17.3
285.16959	62.5
341.30496	64.2
342.30908	1.6
407.03564	1.0
411.76199	1.0
510.66412	1.1
533.41968	14.4
551.43066	100.0
552.43384	5.1
588.80719	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	1.3
67.05508	11.0
69.03421	3.0
69.07069	8.7
69.55769	5.2
70.60877	0.6
71.01353	14.1
71.04991	21.4
71.08629	0.9
73.02921	3.8
75.04476	5.6
79.05482	6.3
81.03410	1.0
81.06582	1.1
81.07055	22.1
83.01341	0.9
83.04979	29.0
83.08611	5.1
85.02902	70.8
85.06520	0.6
86.02226	0.6
87.04453	1.4
91.05470	6.7
93.06467	1.3
93.07041	18.2
94.01410	0.6
94.51134	0.7
95.01324	17.9
95.04965	2.3
95.08604	52.4
96.37980	0.6
97.02884	4.0
97.06527	0.7
97.10161	2.8
98.20748	1.1
99.00802	1.8
99.04458	1.8
101.01711	1.4
101.02379	28.2
101.06010	1.0
103.03924	2.7
105.07027	20.5
107.08591	27.4
109.02874	2.4
109.06509	1.2
109.10150	34.0
111.03699	1.3
111.04443	25.0
111.08076	5.0
111.11713	2.3
113.02377	3.7
117.07005	2.1
119.08579	28.3
121.10136	23.7
123.00794	0.7
123.04456	0.6
123.11703	13.6
125.09574	0.7
127.03909	43.9
129.05484	14.7
129.06949	0.7
130.07849	0.7
131.03378	1.3
131.08557	7.0
133.10124	23.4
135.11684	16.1
137.02264	0.7
137.09627	0.9
137.13237	3.8
139.11174	1.5
141.01820	39.1
142.07806	0.9
143.08585	4.0
145.04956	49.5
145.10110	14.3
147.06509	6.8
147.11684	17.3
149.05948	0.8
149.13255	12.9
151.11243	1.1
151.14847	0.9
155.08519	0.7
157.04974	1.0
157.10107	3.7
159.02884	7.0
159.10432	1.3
159.11684	15.1
161.13260	17.3
163.11205	0.7
163.14824	9.9
165.12738	1.3
167.14252	0.7
169.10190	1.0
171.06529	1.1
171.11649	3.1
173.13258	9.8
174.13879	0.6
175.14825	15.3
177.03967	1.8
177.14827	0.8
177.16379	13.8
179.17979	2.3
185.13239	3.5
187.02455	1.0
187.14810	10.5
189.16379	14.7
191.17931	9.2
193.15895	2.6
195.17403	0.8
197.13205	1.0
199.14806	5.5
201.03931	0.8
201.16370	19.1
203.17949	19.1
205.15862	6.3
205.19513	4.7
207.17461	4.9
211.14738	1.1
213.16415	4.9
215.17981	9.3
217.15886	2.7
217.19505	18.7
219.17445	4.3
219.20985	1.3
221.19197	0.7
223.16971	1.1
225.16476	1.1
227.17931	6.6
229.19496	8.3
231.17421	1.8
231.20999	4.0
233.19003	1.9
235.20563	1.2
239.17937	1.1
241.07033	1.1
241.19467	3.1
243.21095	4.0
245.18974	2.3
245.22673	1.1
253.19411	1.5
255.21077	3.7
257.22592	3.2
259.08182	1.3
259.24329	0.9
267.21198	1.1
269.06549	2.1
269.22668	4.3
271.24203	2.6
281.22568	1.1
283.24234	2.3
287.07632	2.8
295.24234	1.9
297.25858	2.1
305.08670	7.6
311.27258	1.1
313.25180	1.8
323.09625	1.0
349.29163	0.8
365.31989	6.8
393.35077	2.0
405.35175	22.9
423.36194	100.0
424.36520	2.6
441.37238	7.0
567.40674	1.4
581.38391	8.3
599.39435	4.4
877.03229	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.5567
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	1.0
67.05506	20.2
69.03432	3.8
69.07068	19.7
69.07458	0.8
69.89647	2.3
69.90063	1.1
71.01334	0.7
71.04984	3.1
71.08624	3.2
73.02917	2.6
79.05490	17.8
79.05955	1.0
79.39811	0.5
81.03417	39.4
81.07053	26.7
83.04974	9.3
83.08616	27.0
85.02901	21.2
85.06544	2.0
85.10166	1.8
91.03957	5.0
91.05474	18.4
93.07040	13.0
95.04969	16.2
95.08607	19.6
96.04498	0.7
97.02894	6.3
97.06549	3.2
97.10168	11.1
99.04449	1.0
99.08076	1.2
105.07028	14.7
107.04970	3.5
107.08591	7.6
108.73359	0.5
109.02896	0.6
109.06520	2.4
109.10133	7.5
111.04431	1.5
111.08079	6.4
111.11713	2.1
113.06016	1.8
117.06978	1.7
119.04921	0.6
119.08572	10.6
121.06501	1.1
121.10134	10.7
123.08087	2.1
123.11726	2.8
125.09655	1.4
127.03900	2.8
129.06996	6.3
131.08582	7.5
133.06470	1.6
133.10138	7.1
135.11710	4.5
137.09601	1.3
142.07808	2.1
145.04996	2.9
145.10123	1.1
147.08067	1.5
147.11693	11.1
149.09628	2.8
149.13286	1.9
157.10121	8.7
163.06024	2.1
163.14842	0.8
165.12776	2.4
175.11176	10.8
190.70323	0.6
193.12242	30.9
211.13278	45.8
212.13678	0.9
247.24246	1.2
265.25342	2.9
267.15906	14.8
285.16959	57.1
286.17322	1.5
339.28931	59.5
340.29294	2.1
531.40436	16.8
549.41486	100.0
550.41876	4.5
561.45398	0.6
738.35400	1.1
740.58905	0.6
908.48584	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.526
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	2.0
67.05503	46.9
69.03418	2.6
69.07065	15.1
71.04978	3.9
71.58642	1.2
73.02913	2.2
79.05491	28.1
81.03406	4.4
81.07054	73.3
83.04996	6.2
83.08622	8.4
85.02903	11.3
85.06525	3.6
91.03948	6.0
91.05480	23.2
93.07046	31.1
95.04951	5.4
95.08604	36.5
97.02909	5.3
97.06556	5.5
97.10157	3.2
99.08080	2.7
100.07621	1.1
105.07024	29.6
107.04928	1.4
107.08587	18.0
109.02849	1.0
109.06516	3.9
109.10152	13.8
111.08083	2.1
117.07007	4.1
119.08575	23.2
121.06506	1.0
121.10134	21.9
123.08057	4.0
123.11707	21.8
125.09607	1.2
127.03899	3.0
127.07527	1.6
129.07031	1.7
131.08522	6.9
133.10135	7.0
135.11703	7.9
136.11220	1.1
137.09644	1.7
137.13226	3.1
145.04959	2.5
145.10104	5.5
146.96231	1.1
147.11681	43.2
149.09613	1.9
149.13264	5.7
151.11174	1.6
154.12270	2.3
157.10162	2.2
159.11693	3.4
159.79883	1.0
161.13246	3.0
163.05974	1.8
163.14857	1.6
165.12749	14.8
172.13377	1.3
173.11798	1.7
173.13275	2.6
175.11194	2.1
175.14735	1.2
183.13791	2.2
187.14870	1.9
193.12209	1.9
208.48721	1.0
211.13295	1.0
229.14366	5.8
236.34488	1.1
243.21109	4.5
261.22073	14.0
267.15906	47.9
275.20026	1.8
279.23215	2.0
285.16971	53.1
317.24826	3.1
335.25784	100.0
336.26114	1.4
349.23706	1.5
353.27127	1.2
383.24158	1.6
438.46838	1.0
453.33734	1.4
527.37415	4.3
545.38336	60.1
546.38721	1.2
563.39417	1.8
663.49438	1.2
904.53680	2.4
905.50012	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	904.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
63.77525	2.1
65.03928	2.1
65.27818	1.9
67.05505	29.5
67.41238	2.1
68.53561	2.2
69.03436	4.5
69.07064	9.0
70.84172	4.8
70.84576	4.7
71.04984	2.8
79.05046	2.9
79.05495	22.9
81.03413	24.0
81.07056	30.0
83.04975	5.2
83.08605	9.8
85.02895	14.3
91.03967	2.4
91.05474	22.4
93.07041	22.4
95.04964	13.5
95.08597	20.2
97.02908	4.2
97.06559	3.2
100.85644	2.4
105.07029	15.5
107.04955	3.2
107.08585	14.2
108.58291	2.0
109.06503	4.7
109.10170	9.0
111.08049	5.9
117.07051	2.6
119.08589	14.6
121.06509	8.0
121.10165	13.0
129.06982	3.8
131.08575	9.3
133.10164	9.0
135.11662	5.6
145.04893	2.5
145.10162	5.4
147.11679	6.1
147.82295	2.3
149.09630	3.9
149.13272	2.6
157.10153	6.3
161.13246	2.4
173.13409	2.4
175.11197	7.1
180.47375	2.0
181.05145	2.0
193.12215	13.8
211.13289	19.4
227.12776	2.4
234.11380	2.6
261.22412	4.1
267.15958	6.2
285.16986	30.3
335.25772	49.6
435.32468	2.5
459.75293	2.9
527.37103	8.5
545.38318	100.0
660.48108	3.8
687.70239	2.3
780.11871	2.3
904.55383	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	904.5257
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	3.6
67.05503	63.2
69.03419	3.4
69.07072	21.5
69.38781	3.8
69.39186	12.3
71.01353	1.6
71.04990	5.1
71.08614	1.5
73.02918	5.8
79.05494	39.0
81.03416	6.0
81.07056	94.4
82.06572	2.6
83.04967	9.7
83.08621	13.9
85.02908	12.9
85.06551	4.7
91.03954	6.5
91.05479	38.8
93.07044	40.1
95.04980	8.7
95.08601	45.6
97.02908	7.6
97.06512	9.2
97.10174	6.4
97.26793	1.6
98.06066	2.0
98.21518	2.5
99.04470	1.8
99.08083	4.3
100.07641	2.4
105.07030	39.9
107.04959	3.6
107.08591	27.1
109.06538	6.4
109.10159	25.3
111.08046	4.8
112.58915	1.7
117.07015	7.1
119.08578	35.7
121.06518	1.8
121.10137	29.8
123.08046	4.8
123.11705	22.5
124.11211	4.4
125.09653	3.7
126.12808	1.8
127.03928	4.4
129.07040	4.3
131.08563	8.7
133.10136	10.2
135.05403	1.7
135.11699	11.0
136.11186	1.8
137.09587	2.9
137.13289	2.5
145.04942	2.9
145.10126	6.6
147.08061	1.7
147.11682	65.4
149.09550	2.5
149.13245	6.3
154.12276	4.1
157.10173	4.7
159.11697	5.5
161.13266	3.0
163.05972	2.5
163.11163	2.6
163.14796	3.9
165.12766	20.1
172.13362	5.0
173.11752	4.3
173.13293	4.1
175.11221	3.0
175.14919	1.9
179.60539	1.6
183.13721	1.7
187.14893	2.0
192.19321	1.5
193.12279	2.8
229.14301	13.9
243.21069	5.8
261.22119	23.1
267.15918	72.2
275.20200	5.0
279.22998	2.2
284.88995	1.7
285.16965	100.0
286.17471	2.1
317.24728	4.6
328.25928	1.7
335.25800	83.8
336.26236	1.6
349.23697	3.8
353.26791	4.6
361.96759	1.8
379.39294	1.7
453.33405	1.9
471.34839	2.2
492.23343	1.6
503.33841	2.3
527.37244	8.5
545.38348	71.7
546.38727	5.0
563.39166	3.8
634.40930	1.7
904.54309	6.5
905.49872	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	904.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	1.7
65.62022	0.8
67.05505	48.6
69.03428	2.7
69.07065	17.8
70.65168	2.2
70.65572	2.2
71.04987	3.2
71.08624	1.1
73.02907	3.0
79.05489	30.4
81.03416	3.0
81.07055	72.7
83.04990	6.6
83.08619	7.8
85.02901	10.4
85.06537	4.7
88.39067	0.8
91.03952	5.7
91.04897	1.3
91.05476	27.4
93.07040	29.4
95.04971	4.2
95.08603	36.1
97.02887	6.3
97.06513	6.5
97.10168	3.3
99.08099	2.3
105.04504	1.0
105.07024	26.5
107.08593	19.5
109.06507	4.9
109.10152	15.6
111.08060	2.2
117.07025	2.6
119.08579	23.9
121.06538	1.3
121.10138	23.2
123.08056	4.1
123.11706	17.9
124.11217	1.6
125.09627	2.4
127.03913	2.3
127.07536	2.3
129.07018	2.2
131.08568	8.2
133.10124	6.7
135.08102	1.0
135.11702	6.9
137.09645	1.4
137.13297	2.7
142.48383	1.0
145.04913	1.5
145.10098	5.4
147.11693	40.2
149.09628	1.6
149.13266	4.6
154.12315	2.6
157.10126	2.4
159.11725	3.1
161.13266	3.4
163.05994	2.5
163.14816	2.2
165.12744	16.2
172.13312	1.8
173.11896	1.5
173.13315	3.1
175.11177	2.0
183.13815	1.9
184.35829	0.9
187.14926	1.5
193.12247	1.8
208.78749	0.9
211.13263	1.1
229.14380	7.0
243.21030	4.8
261.22125	16.4
267.15912	54.3
275.20105	1.2
279.23196	2.3
283.15607	1.0
285.16956	56.9
313.27100	0.9
317.24719	3.1
335.25790	100.0
336.26151	3.0
349.23755	2.4
353.26651	1.6
360.30231	1.0
380.08255	1.2
527.37323	6.3
545.38336	62.5
546.38599	2.5
563.39459	2.3
871.71741	1.2
904.52917	2.0
905.50507	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	904.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	36.7
69.03421	3.7
69.07071	10.1
71.04996	3.1
73.02917	3.3
77.65041	1.0
79.05493	29.9
81.03421	42.1
81.07059	38.3
83.04976	10.0
83.08617	19.7
85.02907	23.2
85.06528	2.4
91.03970	6.9
91.04902	1.3
91.05482	28.7
93.07047	29.9
95.04972	22.6
95.08608	26.8
97.02895	9.0
97.06523	3.5
97.10173	4.1
98.20718	2.1
99.08083	1.3
103.05486	1.4
105.07033	20.0
107.04940	3.9
107.08597	16.9
109.02859	1.2
109.06523	3.4
109.10150	11.2
111.04449	1.7
111.08092	7.6
113.06017	1.0
115.05456	1.2
117.07033	5.3
119.08591	19.2
121.06506	1.7
121.10144	15.8
123.08078	1.8
123.11720	4.2
125.09647	1.5
127.03892	2.4
127.07558	1.0
129.07030	6.8
131.08574	12.4
133.06491	1.4
133.10161	11.8
135.11674	8.1
137.09634	1.3
142.07805	2.0
143.08577	1.2
145.04945	2.5
145.10092	5.3
147.08015	2.8
147.11682	13.3
149.09630	5.4
149.13239	4.6
157.10143	10.5
159.11700	4.1
161.13307	3.5
163.06087	1.9
163.14847	2.3
165.12761	2.7
171.11696	1.4
173.13289	2.4
175.11212	8.5
178.59700	1.1
184.07294	1.4
193.12242	32.3
211.13300	58.1
227.12703	1.8
229.66626	1.4
243.21088	3.2
261.22198	8.7
267.13342	1.4
267.15955	16.0
285.16965	67.8
301.25208	1.1
303.23117	1.1
317.24719	2.6
335.25818	60.8
336.26172	1.2
342.75491	1.1
435.32700	1.8
453.33475	2.3
527.37238	13.1
545.38391	100.0
546.38525	2.9
550.80499	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03905	1.9
67.05504	32.0
67.05846	1.1
67.72150	0.6
68.05800	0.9
69.03397	1.5
69.07073	7.7
69.39008	0.6
69.39315	6.3
71.04951	2.2
73.02888	1.5
79.05492	26.6
81.03362	2.4
81.07055	32.4
83.04919	2.0
83.08624	8.0
85.02900	3.1
85.06496	0.9
85.19010	0.5
91.03906	1.0
91.05479	13.0
93.07042	36.2
95.04977	5.9
95.08604	34.6
95.09209	0.7
97.02880	3.2
97.06548	3.3
97.10127	1.8
99.04404	1.8
105.06402	0.7
105.07029	8.8
107.04971	4.2
107.08589	26.2
109.06441	2.3
109.09485	0.7
109.10149	8.8
111.04398	0.9
111.08025	1.4
113.05998	0.6
117.06366	0.7
117.07021	7.2
119.08582	11.2
121.06536	3.2
121.10150	16.5
123.08050	1.1
123.11654	1.6
125.05940	2.0
127.13367	0.7
130.07657	1.5
131.08592	3.1
133.10138	4.7
135.07957	1.8
135.11690	36.3
139.07509	1.0
142.21536	0.6
145.04918	1.0
145.09084	1.3
145.10124	18.9
147.11633	2.0
149.13210	2.6
153.12674	0.7
159.11639	1.9
161.13185	1.0
163.11182	35.5
163.14801	1.1
173.13249	1.6
177.16328	0.7
181.12218	5.7
187.14810	1.6
209.11664	1.3
213.64810	0.6
227.12776	52.9
228.13150	1.2
243.21040	2.2
261.22147	8.3
267.16077	0.8
283.15387	55.3
317.24597	2.0
335.25790	100.0
336.26147	2.5
543.36804	99.4
544.37415	4.3
902.98669	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5102
Annotation	Unknow
Peak:m/z	Relative Intensity
63.09281	0.9
65.03937	1.9
67.05504	32.0
69.03434	2.0
69.07066	9.9
69.46130	8.3
71.04995	2.7
72.59649	0.9
73.02915	1.8
79.05489	31.0
81.03402	2.6
81.07053	36.5
82.07397	1.2
82.83241	1.0
83.04976	2.9
83.08619	9.6
85.02913	3.5
85.06528	1.5
88.58308	1.1
91.04006	1.3
91.05470	13.2
93.07039	45.3
95.04964	6.9
95.08604	44.7
97.02892	3.8
97.06546	3.8
97.10168	2.2
99.04462	2.7
105.07025	11.7
107.04964	7.0
107.08595	27.9
109.06547	1.7
109.10139	10.2
111.08074	1.1
117.07011	8.2
119.08570	12.4
121.06486	5.3
121.10140	17.6
123.11711	3.7
125.05980	2.8
127.03900	1.2
130.07840	1.5
131.08545	4.7
133.10155	4.8
135.08128	1.6
135.11682	39.7
139.07562	1.5
145.10126	23.0
147.11678	1.9
149.13287	3.5
159.11716	2.0
161.13275	1.1
163.11172	51.5
163.14845	1.8
164.86583	1.1
173.13280	2.1
173.26909	0.9
177.16371	1.0
181.12236	8.3
187.14761	1.0
227.12772	68.7
243.21083	3.1
261.22144	9.7
267.15948	1.4
283.15390	100.0
284.15796	2.4
313.27557	1.1
317.24741	2.3
335.25775	89.8
336.26089	4.2
539.26465	1.0
543.36786	96.8
544.36975	4.5
687.39386	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5256
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	2.2
66.04975	1.1
67.05502	39.8
69.03422	4.3
69.07063	10.7
71.04996	4.2
73.02911	2.9
79.05488	33.0
80.38607	1.0
81.03416	33.8
81.07053	42.3
83.04984	9.0
83.08612	15.2
85.02901	19.4
85.06543	1.9
91.03954	5.7
91.05478	30.0
93.07037	32.7
93.83630	1.0
95.04962	18.0
95.08605	28.5
97.02921	6.0
97.06529	4.8
97.10168	3.8
99.08155	1.1
101.72523	1.0
105.04544	1.3
105.07028	21.0
107.04944	4.4
107.08591	15.9
109.06500	4.2
109.10152	9.2
111.04432	1.9
111.08052	4.9
113.05971	1.6
115.05500	1.5
117.06999	4.0
119.08572	17.4
121.10123	15.0
123.08063	1.8
123.11705	3.0
125.09620	1.7
127.03864	2.1
129.06995	6.8
129.35474	1.0
131.08563	11.6
133.10129	11.5
135.11691	7.8
137.09592	1.9
137.13245	1.1
145.04968	2.7
145.10124	4.3
147.11700	11.1
149.09595	4.5
149.13240	3.4
149.57143	1.0
153.12685	1.2
157.10150	8.3
159.11639	4.9
161.13286	1.9
163.06085	1.2
163.14850	1.9
165.12737	2.1
173.13292	1.8
175.11197	9.2
187.14748	1.3
193.12234	22.8
211.13286	32.4
229.65964	1.1
229.67992	1.1
243.21138	3.0
261.22168	7.0
267.15848	9.3
285.16937	39.3
317.24741	2.3
330.58752	1.0
335.25781	64.6
336.26010	1.9
425.70316	1.3
435.32428	2.0
527.37329	12.8
545.38342	100.0
546.38666	4.0
563.39203	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5503
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	20.4
69.03438	4.4
69.07056	10.3
71.08634	21.0
73.02898	3.0
75.00053	2.8
77.21485	2.5
79.05474	11.5
81.03412	70.3
81.07053	31.0
83.04980	3.9
83.08619	20.5
85.02889	7.9
85.10175	12.4
91.03960	4.1
91.05478	18.4
93.07033	11.4
95.04972	18.6
95.08602	26.2
97.02882	5.5
97.06470	3.5
97.10139	4.8
105.07047	15.3
107.04955	5.1
107.08606	5.2
109.06509	4.8
109.10145	12.4
111.08063	4.4
117.07006	3.2
119.04923	2.6
119.08570	10.9
121.06454	3.3
121.10114	5.5
123.11728	4.7
129.06998	9.8
131.08531	7.6
133.10098	5.3
142.07755	3.5
145.10107	3.2
147.08047	4.1
147.11662	5.0
149.09589	4.5
157.10094	10.0
175.11206	7.6
193.12204	19.5
211.13113	2.8
267.15906	100.0
287.12766	3.5
313.27347	89.2
314.27579	3.6
333.13199	8.0
335.25638	9.2
349.62009	3.0
425.18146	12.4
502.80759	2.6
505.38849	75.1
506.39114	2.6
547.39331	5.2
613.40442	2.9
685.39252	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	900.531
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	40.7
69.07063	13.4
69.65910	23.2
71.04964	2.9
79.05491	50.2
81.03402	4.5
81.07056	47.2
83.04965	12.0
83.08599	7.6
85.02872	5.0
91.05473	40.0
93.07040	51.0
95.04439	2.7
95.04953	15.1
95.08603	31.0
97.06532	3.1
97.10191	3.6
98.21481	5.6
105.07030	30.1
107.04942	6.3
107.08587	23.6
109.06564	4.8
109.10139	7.7
117.07027	6.9
119.08576	15.0
121.10134	12.5
123.08119	3.5
125.09772	2.8
129.06970	8.4
129.94341	3.3
131.08551	5.3
133.10118	11.0
135.11668	4.7
143.08556	3.9
145.10104	7.6
147.11670	25.0
161.09627	3.8
161.13275	5.4
171.11710	10.4
189.12790	4.6
207.13745	21.4
232.77852	2.8
245.92824	3.1
256.47220	3.3
261.22098	5.0
273.86862	3.0
279.86234	2.9
281.17456	55.6
335.25790	47.0
541.38934	100.0
542.38898	5.0
653.04303	3.3
860.88733	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	900.5308
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	1.8
65.40152	0.8
67.05504	30.4
69.06721	1.0
69.07062	9.4
71.04993	1.7
73.02911	1.1
79.05493	37.7
80.04632	0.8
81.03419	2.5
81.07053	30.2
83.04977	6.6
83.08604	3.7
85.02909	2.3
85.06544	1.4
91.05479	25.3
93.07040	37.1
95.04971	10.4
95.08604	22.4
97.02892	3.0
97.06513	3.2
97.10157	2.1
105.04501	1.5
105.06383	1.5
105.07028	17.8
105.07697	1.7
105.97820	1.0
107.04932	2.2
107.08596	14.2
109.06496	2.3
109.10148	6.3
111.08092	1.5
117.07008	4.6
119.08580	12.4
121.10132	7.5
123.08054	1.7
123.11725	2.5
128.06223	1.6
129.07004	5.9
131.08548	4.6
133.10133	7.3
135.11687	4.6
143.08580	4.3
145.10107	5.2
147.08035	1.2
147.11681	15.6
149.13219	1.2
159.11665	2.2
161.09659	1.3
161.13234	4.4
163.14793	1.1
171.11687	9.1
173.13266	1.7
187.14742	1.1
189.12729	3.8
207.13835	8.3
232.77818	0.9
237.39246	0.9
243.20993	0.9
261.22198	2.3
279.15900	1.4
281.17499	24.1
301.16321	1.8
317.24747	1.1
335.25787	35.9
336.26065	1.8
541.38892	100.0
542.39087	3.2
559.39801	1.4
769.61230	1.0
864.00366	0.9
869.73480	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03914	1.4
67.05480	2.2
68.99790	16.7
70.04115	5.3
70.58860	1.0
81.03407	5.0
83.04985	2.4
85.02867	1.7
91.05473	1.3
95.04958	2.6
97.02915	1.2
98.20869	1.9
99.04443	2.2
99.49218	1.2
105.03349	1.6
109.02876	8.0
111.00801	17.5
111.04449	3.9
121.02854	2.9
123.04424	39.4
125.49809	1.2
127.03913	100.0
128.04233	1.7
131.04860	1.1
133.02841	5.8
133.06398	1.5
135.04439	8.1
139.03899	92.0
140.04202	1.8
147.04413	15.9
149.02357	3.8
149.05928	1.9
151.03902	54.5
153.01845	4.5
153.05402	1.6
155.03349	6.6
157.06433	1.3
159.04437	3.2
161.02232	1.7
161.05974	3.4
163.03897	12.3
165.05481	5.3
167.03357	3.1
169.04918	5.0
169.06334	1.6
171.04372	3.7
173.05956	3.6
175.03922	20.0
177.05450	11.7
179.03398	69.6
181.04976	1.6
185.05981	2.9
187.04002	1.7
189.05504	6.1
190.37003	1.3
191.03413	11.2
193.04985	5.3
194.73767	1.4
197.05951	1.5
199.03920	5.9
201.05444	6.6
203.03387	33.0
205.04999	2.4
207.06520	1.3
213.05382	7.0
215.03444	2.3
217.04962	7.3
221.04485	1.6
223.02333	3.7
227.03339	2.2
229.04837	7.8
231.06491	4.0
233.04453	4.8
241.04985	6.8
245.04459	96.6
246.04843	2.6
247.06046	8.4
251.05499	2.8
253.05016	2.1
257.04410	21.5
258.05191	2.3
259.06152	6.2
261.89642	1.4
263.05505	47.3
265.05084	1.4
269.04376	6.9
271.06024	5.6
273.07532	1.4
275.05481	28.6
276.05627	1.3
277.07080	2.5
281.04437	3.4
283.06018	3.9
287.05487	72.5
288.05862	2.3
289.07059	2.1
291.08612	18.7
297.04062	2.1
299.05469	20.3
303.08823	2.4
305.06561	27.9
309.03802	1.6
311.05478	3.2
317.06528	12.2
321.07452	2.8
329.06601	2.1
345.06860	1.3
347.07813	1.3
349.07001	4.0
351.05136	2.6
357.81918	1.7
363.05048	1.8
377.06802	2.1
379.08609	1.4
393.05850	7.1
395.07532	2.4
399.07144	2.3
405.06012	9.8
407.07443	2.3
409.08923	6.2
411.06995	1.6
413.08658	5.7
417.06158	3.1
423.07062	19.0
425.08658	15.6
427.10397	6.6
435.06995	6.8
437.08481	2.4
441.08389	7.8
443.09772	12.8
447.06992	1.7
451.10272	2.7
453.08020	4.5
465.08148	2.9
467.09863	1.7
543.09460	2.8
561.10138	3.0
573.10339	3.0
595.14325	4.4
713.14020	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	2.2
66.39686	1.3
67.05505	1.9
68.99788	11.8
71.02523	2.9
75.02236	1.5
77.50445	1.4
81.03400	5.7
82.90764	1.5
91.05479	1.5
95.04930	2.3
97.41906	1.3
104.62978	1.4
105.03332	2.0
107.04949	2.2
109.02871	9.4
111.00800	11.8
111.04407	3.1
113.26781	1.3
114.67078	1.2
116.94924	1.5
119.04934	2.4
121.02888	2.0
123.04431	37.1
127.03914	75.7
128.04274	2.3
133.02834	5.5
135.04401	7.6
139.03897	83.7
140.04172	2.6
145.06479	1.6
147.04428	11.4
149.02307	7.4
150.80586	1.4
151.03903	51.9
153.00725	1.9
153.01767	8.9
153.05441	2.1
154.02225	1.5
155.03389	13.6
157.06516	2.0
159.04486	1.7
161.05984	4.3
163.03909	9.2
165.05482	4.6
167.03387	2.2
169.04933	3.3
169.06429	1.5
171.04395	2.4
173.06145	2.3
175.03899	14.0
177.05486	10.2
179.03387	59.8
180.03717	1.8
183.04449	2.6
185.05984	2.4
189.05428	5.7
191.03436	11.9
193.04930	1.9
197.06075	2.1
199.03856	6.9
199.61954	1.4
201.05478	6.1
203.03383	26.3
205.04893	3.2
213.05518	9.2
215.03308	1.6
217.04970	8.8
219.02759	2.1
219.06403	1.9
223.02359	2.5
229.04947	8.8
231.06433	4.9
233.04491	5.2
241.04900	5.6
245.04460	100.0
246.04697	1.6
247.06018	10.3
253.04964	2.7
257.04465	21.7
258.04846	4.1
259.05945	5.6
263.05505	32.3
269.04483	7.6
271.06024	6.8
273.03903	2.3
274.04755	1.6
275.05450	24.4
276.06177	1.5
277.06921	5.0
281.04553	1.7
287.05487	63.9
288.05814	3.3
289.07135	3.5
291.08575	19.3
295.06000	2.7
297.03857	2.7
299.05453	15.2
303.04993	18.2
304.05374	12.7
305.06491	27.6
311.05209	2.0
317.06506	11.3
319.06567	1.5
349.06998	2.3
377.06647	1.8
393.05945	4.7
405.05945	5.6
407.07224	2.1
409.09274	7.1
413.08325	4.3
423.07178	25.8
425.08609	14.7
427.10226	5.1
435.06940	5.2
441.08145	12.0
443.09891	12.9
453.07974	4.8
465.07828	3.9
487.33319	1.9
543.08978	3.3
561.09821	3.7
566.10004	2.8
567.10492	4.9
595.14471	2.1
691.85980	1.6
713.13922	2.7
731.15216	2.8
757.33124	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5248
Annotation	Unknow
Peak:m/z	Relative Intensity
63.23742	0.7
67.05505	26.4
67.30281	0.7
68.23521	0.7
69.06732	0.9
69.07071	14.4
69.22137	0.7
71.04975	0.6
71.08632	1.6
71.59094	1.4
79.05492	8.1
81.07056	29.2
83.04980	0.8
83.08621	7.4
91.05482	6.5
93.07040	7.0
95.08607	22.0
97.06509	2.1
97.10156	4.2
98.15921	0.7
99.08092	0.8
105.07014	4.4
107.08601	5.0
109.10148	8.6
111.11746	0.8
113.00013	47.0
117.07075	0.8
119.08574	4.2
121.10168	3.8
123.11674	4.2
129.29381	0.7
130.67094	0.6
131.01038	0.9
133.10091	3.6
135.11694	3.2
137.13251	2.0
147.11676	1.9
149.13303	1.1
151.11076	0.7
155.07776	0.8
161.13237	1.4
163.14861	1.3
169.02614	36.0
177.16486	0.7
187.03659	3.0
228.74290	0.7
245.22714	3.1
263.23727	6.6
337.27359	100.0
338.27719	3.0
347.77319	0.8
814.54620	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	0.6
66.05340	0.3
67.31206	0.3
68.99469	0.5
68.99788	3.0
70.24284	0.3
70.75945	0.4
70.76272	0.8
81.03432	0.5
103.05462	0.3
107.04955	0.9
109.02864	0.7
111.00793	2.2
111.01453	0.3
111.04436	0.7
115.05446	0.7
121.02868	1.2
123.04425	6.5
125.02395	0.6
126.96250	0.3
127.02968	0.5
127.03910	8.2
131.04927	0.8
133.02893	0.5
135.04414	5.9
137.02309	1.3
138.41068	0.3
139.03899	18.2
143.03392	0.6
145.02908	0.3
145.06429	0.6
147.04404	1.9
149.02348	5.1
149.05962	0.7
150.03105	1.0
151.03909	4.2
153.01825	12.1
155.03378	1.4
155.04893	0.9
156.23930	0.3
157.06419	0.4
159.04427	1.8
161.02306	0.6
161.05969	0.8
163.03899	11.0
165.01828	1.2
165.05461	0.7
167.03427	1.3
169.06480	0.5
171.04384	0.5
173.05972	1.8
175.03911	2.8
175.07498	0.4
177.01801	0.5
177.05486	2.4
179.03397	3.2
181.04932	0.6
183.02959	0.3
183.04404	1.5
185.05931	1.6
187.03860	2.5
189.05437	1.4
191.03386	4.4
193.05005	1.1
197.06004	0.8
199.04012	0.6
201.05467	3.4
203.03381	3.8
203.07123	0.5
204.03783	0.3
205.04941	2.4
207.02817	0.4
211.03773	0.4
213.05438	2.1
215.03381	1.7
217.04964	1.8
219.02899	4.1
219.06342	0.5
223.02188	0.4
223.05811	0.4
225.05498	0.5
227.03329	0.4
227.06929	0.5
229.04945	8.1
233.04431	2.1
237.03883	1.1
239.03319	0.6
241.04987	2.1
243.02858	1.0
243.06451	0.8
245.04451	5.1
247.06027	11.0
248.06071	0.4
251.05569	0.3
253.04877	1.5
255.06520	1.3
257.04440	23.4
258.05038	1.4
259.06006	6.4
261.03934	2.8
263.05557	1.5
265.04913	0.7
267.06534	0.3
269.04376	2.2
271.05984	4.4
273.03949	0.8
273.07465	0.6
274.04620	1.5
275.05441	6.2
281.04468	0.9
283.05984	4.9
285.03922	4.7
287.05478	7.4
289.07175	2.2
295.06021	0.7
297.03922	1.0
297.07440	0.4
299.05447	2.4
301.07034	6.2
302.04156	0.5
303.04977	100.0
304.05234	2.5
309.03891	0.6
311.05515	0.7
313.07153	0.4
315.05011	1.8
317.06284	0.4
319.08231	0.8
323.05496	0.5
327.05133	1.4
335.05667	0.4
337.07062	0.5
351.04752	0.9
361.07114	0.7
365.06558	1.0
376.05530	0.4
377.06549	1.0
389.06528	1.3
393.06088	1.6
401.06918	0.4
405.06049	1.4
407.07425	2.4
409.09232	2.0
411.07132	2.5
419.07623	0.4
421.05460	0.5
423.07120	2.2
425.08670	8.2
427.10217	5.0
429.08203	3.7
433.05383	1.0
435.07031	1.2
437.08701	0.7
441.08160	3.3
443.09467	1.3
445.05472	0.4
447.07104	2.5
451.06326	0.6
453.08109	0.7
463.06613	1.5
465.08084	0.8
531.09198	0.5
541.07660	0.8
549.01807	0.7
549.10272	14.4
550.10156	0.5
555.09009	0.6
557.11096	0.4
559.08618	6.6
571.08350	0.5
573.10468	1.6
577.10022	1.8
585.09937	0.9
589.09955	2.2
591.11066	1.1
693.11914	0.8
709.11987	0.6
711.13123	2.6
727.01007	0.4
727.13031	7.6
745.14099	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	897.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	1.1
68.99792	3.3
71.20670	0.6
71.21001	0.9
83.55637	0.5
97.02931	0.5
109.02876	1.2
111.00792	2.7
111.04455	0.7
115.05432	0.6
119.04938	0.9
121.02848	1.5
123.04422	9.0
125.02337	0.7
126.04241	0.5
127.03905	10.3
131.04935	0.9
133.02853	1.2
135.04419	1.6
137.02330	0.7
139.03893	27.2
145.06493	0.7
147.04410	3.5
149.02328	7.3
150.03098	0.7
151.03899	7.5
153.01819	14.0
153.02998	1.0
155.03371	2.2
155.04776	1.2
157.06505	0.5
159.04420	1.3
161.06010	0.8
163.03931	4.2
165.01849	0.9
165.05464	1.6
167.03366	0.8
169.06447	0.5
171.04407	0.8
173.05965	1.6
175.03926	2.3
177.01866	0.7
177.05431	1.6
179.03383	10.4
183.04413	1.3
185.05998	0.8
187.03876	2.0
188.30861	0.4
189.05450	1.3
191.03391	5.6
193.04936	2.6
197.06004	1.0
199.03889	1.4
201.05464	4.0
203.03378	5.1
205.04929	1.6
207.06555	0.6
211.03914	1.4
213.05475	2.4
215.03386	1.6
217.04984	1.7
219.02911	4.3
219.58549	0.5
223.02353	0.7
224.77971	0.5
225.05507	1.3
227.03416	0.5
229.04918	9.3
230.05380	0.7
231.06471	1.1
233.04442	2.7
237.03964	1.5
239.03481	0.6
241.04967	1.6
243.02925	1.2
243.06462	0.8
245.04456	8.3
247.06007	5.3
253.04968	1.9
255.02388	0.5
257.04425	27.3
258.05078	1.0
259.05951	1.7
261.03867	3.8
263.05447	5.8
269.04437	2.1
271.05872	3.2
273.03967	1.3
274.04770	0.9
275.05441	10.4
281.04398	1.4
283.02844	0.6
283.06036	1.1
285.03918	5.7
286.04529	0.7
287.05484	11.4
291.08835	1.1
295.05948	0.6
297.04004	0.9
299.05469	12.6
301.07074	0.8
302.04034	1.0
303.04968	100.0
304.05292	2.4
305.06580	5.3
309.03882	0.7
311.05478	1.5
315.05103	1.5
317.06555	13.9
327.05005	2.1
329.06680	0.6
335.05609	0.5
347.05453	0.6
349.06830	0.6
351.05222	0.7
361.07132	0.9
375.05258	0.5
377.06537	0.7
389.06631	1.6
393.06039	2.1
405.06097	1.1
407.07498	1.5
409.09180	8.2
411.07083	4.1
421.05545	0.6
425.08826	2.7
427.10403	4.9
429.08185	11.2
433.05280	1.1
435.06912	1.6
439.06461	2.0
441.08063	2.0
445.05609	0.5
451.10690	1.3
463.06488	2.8
481.07855	1.0
541.07727	0.9
559.08691	9.7
565.09735	15.9
571.08472	1.6
577.09424	1.9
589.09534	5.1
601.10059	2.2
607.10925	0.7
693.12805	0.6
709.11438	1.1
711.13293	8.0
727.12683	2.6
729.14362	6.3
735.12720	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5356
Annotation	Unknow
Peak:m/z	Relative Intensity
62.05785	1.7
62.06087	20.7
67.05491	2.9
69.07073	2.6
69.09387	1.0
71.08633	10.4
71.58518	1.1
71.58902	1.4
72.11643	1.0
81.07046	4.4
83.08617	3.0
85.10178	7.1
95.08605	5.7
97.10139	2.3
98.98472	3.7
105.07086	1.1
109.10150	3.0
123.11736	1.2
124.01637	1.3
142.02682	1.1
155.01031	4.3
174.19530	1.0
216.06311	2.7
282.27896	10.4
313.27365	100.0
314.27753	3.0
393.23874	8.0
436.28177	27.5
454.29324	22.3
759.54572	1.1
763.41028	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	0.3
69.03428	3.2
69.56554	1.5
71.04987	5.2
73.02902	0.6
75.04461	0.4
81.03403	0.5
83.04973	1.0
83.81504	0.2
85.02902	9.3
87.04475	1.4
97.02888	2.8
98.21488	0.4
99.04434	0.5
103.04063	0.2
109.02872	0.6
111.00818	0.5
111.04429	0.5
115.03941	1.6
121.02855	1.9
123.04362	0.2
127.03912	0.8
129.05489	1.7
133.02834	0.3
133.04948	1.1
137.02301	0.3
139.03905	0.4
145.04987	0.4
147.04437	0.6
147.06551	0.5
151.03862	0.3
153.01862	1.9
159.04451	0.3
165.01823	1.3
171.06445	0.4
183.02911	0.6
207.06677	0.3
213.05486	1.0
223.09129	0.2
225.07558	0.3
231.06535	0.4
241.04980	0.6
243.08852	0.5
257.33328	0.2
258.05322	0.7
261.09869	1.0
287.05487	100.0
288.05801	2.8
299.05411	0.9
303.04977	4.7
311.05551	0.4
315.33804	0.2
329.06479	1.5
353.06628	0.3
413.08762	0.2
419.09573	0.9
431.09366	0.2
449.10782	23.3
450.11136	0.5
611.15582	0.4
697.27484	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	0.8
67.05480	0.3
68.99780	3.8
79.05459	0.3
81.03400	0.8
83.39574	0.3
85.02880	0.4
91.05463	0.6
95.04939	0.4
105.03397	0.7
107.01337	0.3
107.04918	0.4
109.02837	1.1
111.00787	2.4
111.04436	1.0
116.98529	0.3
117.06991	0.6
119.04939	0.7
121.02853	1.6
123.03556	0.6
123.04420	8.9
125.02322	0.7
127.03909	13.2
128.04240	0.3
131.04929	0.6
133.02812	0.8
135.04398	1.6
137.02333	0.8
137.06021	0.3
139.03893	26.4
141.01817	0.3
141.07072	0.3
141.91345	0.3
143.03381	0.9
145.02939	0.5
145.06458	1.1
147.04396	3.4
149.02333	7.5
149.05951	0.3
150.03101	0.9
151.03899	6.8
153.01820	13.8
155.03366	2.6
155.04898	0.9
157.06468	0.6
159.04390	0.9
161.05971	1.5
163.03893	5.3
165.01746	0.6
165.05458	1.3
167.03397	1.0
167.04826	0.3
169.06429	0.3
171.04433	0.8
173.02454	0.3
173.05923	1.9
175.03906	2.7
177.01854	0.7
177.05424	1.7
178.02504	0.3
179.03378	9.4
179.04921	0.6
181.06369	0.3
182.93925	0.3
183.04427	1.7
185.05966	0.8
187.03958	1.5
189.05461	1.9
191.03392	7.0
193.04947	1.5
197.05960	1.3
199.03902	1.2
201.05450	4.0
203.03365	5.0
205.04968	1.9
211.03947	1.4
213.05463	2.9
215.03387	1.9
215.06947	0.4
217.04900	1.5
219.02855	5.1
219.06395	0.4
221.04364	0.3
223.02348	0.9
225.05470	1.0
227.03421	0.4
229.04933	8.4
229.28725	0.3
231.02962	0.3
231.06499	1.1
233.04445	2.8
234.05299	0.4
237.03888	1.2
239.03400	0.7
241.04912	1.1
243.02876	0.9
243.06450	0.6
245.04459	6.3
247.05989	5.9
251.05257	0.5
253.04936	1.4
255.02902	0.3
255.06544	0.3
257.04440	25.6
258.05075	1.1
259.05920	1.5
261.03952	3.7
263.05432	4.8
265.05038	0.4
269.04391	2.3
271.06015	2.4
273.03873	1.6
274.04712	0.9
275.05450	9.0
279.06241	0.4
281.04468	1.3
283.06012	1.0
285.03946	5.9
286.04590	0.6
287.05466	11.3
288.05966	0.3
289.06952	0.6
291.08655	0.5
295.05887	0.4
297.03873	1.1
299.05460	10.6
301.03458	0.6
301.07062	1.2
302.04181	0.5
303.04968	100.0
304.05292	2.3
305.06534	3.9
307.06226	0.4
309.04041	0.5
311.05469	1.1
315.04865	2.1
317.06546	10.6
319.05893	0.7
321.04303	0.3
323.05374	0.5
325.03250	0.4
325.06937	0.4
327.04889	1.8
329.06757	0.4
335.05414	0.4
347.05463	0.9
349.07089	0.4
351.04944	0.7
361.07022	0.8
363.04819	0.4
373.07190	0.4
375.04553	0.5
377.06586	0.9
389.06558	1.5
391.08038	0.6
393.06003	2.1
405.05969	1.4
407.07684	1.1
409.09222	7.0
411.07062	2.7
417.05997	0.5
419.07547	0.5
420.04745	0.3
421.05469	0.7
423.07108	1.1
425.08694	2.6
427.10159	4.5
429.08182	8.4
433.05365	1.2
435.06927	1.4
439.06616	1.7
441.08038	3.2
445.05453	0.7
447.06982	0.4
451.05487	0.5
451.10718	0.8
453.08130	1.0
463.06598	2.7
471.09427	0.6
481.07892	0.7
503.23212	0.4
541.07495	0.8
549.10266	1.4
558.99921	0.4
559.08698	6.8
565.09753	12.7
571.08441	0.9
573.10522	0.4
577.09729	2.3
585.10327	0.7
589.09601	4.7
601.09894	1.2
619.10468	0.6
693.11627	0.4
709.11383	0.7
711.01263	0.5
711.13263	6.4
724.80646	0.4
727.13007	2.8
729.14417	5.0
745.13580	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5312
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	1.8
67.05504	50.6
68.23829	0.9
69.03429	2.1
69.07065	16.5
70.25479	1.7
70.25869	1.4
71.04981	2.4
71.08622	1.1
73.02900	3.0
77.11346	0.7
79.05489	36.8
81.03412	2.4
81.07056	63.2
83.04996	4.3
83.08617	10.5
85.02901	9.6
85.06527	3.2
88.39277	0.7
91.03951	5.3
91.05477	18.2
91.41148	0.7
93.07041	47.4
94.07375	0.7
95.04968	6.4
95.08602	30.5
96.08939	1.2
97.02879	5.3
97.06534	8.1
97.10175	1.5
99.08089	2.4
105.07024	10.9
107.08597	28.7
109.06539	1.9
109.10152	10.9
111.08089	4.4
113.05991	0.8
117.07016	7.0
119.08577	7.1
121.10137	18.7
123.11702	2.4
125.09632	1.5
127.03934	2.3
131.08568	9.0
133.10095	8.2
135.07956	1.0
135.11697	9.0
137.09654	0.9
137.13219	0.8
145.04985	2.2
145.10126	4.0
147.11691	4.9
149.13252	24.5
151.11208	0.8
159.11696	10.1
161.13249	2.2
163.06047	2.2
163.14771	1.7
173.13266	2.8
175.14835	1.0
177.12770	4.5
187.14751	1.7
195.13815	9.9
213.14801	1.1
243.21114	3.2
253.17917	0.9
259.20599	0.9
261.22162	10.9
267.15973	2.7
269.17468	100.0
270.17838	3.0
317.24875	2.5
333.24249	1.0
335.25784	49.5
336.26273	1.9
349.70044	0.8
421.29028	0.9
437.34009	2.5
455.34744	0.9
529.38898	89.5
530.39252	5.4
547.39557	2.2
550.54541	0.9
654.34601	1.0
888.49036	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	887.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
65.11469	0.4
67.05504	3.8
69.03432	3.9
69.07043	1.0
71.04981	0.5
71.08643	1.4
71.58701	0.8
73.02911	3.6
79.05495	2.3
80.86874	0.4
81.03411	2.9
81.07061	5.7
83.04971	0.4
83.08630	1.0
83.72784	0.4
85.02905	7.2
85.10191	0.8
86.03258	0.5
87.04455	0.4
91.03955	3.2
91.05470	2.6
93.07030	2.9
95.04978	1.3
95.08602	2.8
97.02897	5.4
97.06599	0.5
97.10155	0.4
99.04459	0.9
101.02386	1.6
105.07051	2.2
107.04978	0.5
107.08605	1.7
107.44394	0.4
109.02896	1.1
109.10168	1.1
111.08109	0.4
117.07037	0.6
118.95447	0.4
119.08603	1.3
121.10125	1.1
123.11734	0.5
127.03931	1.5
129.06993	0.6
131.08578	0.7
133.10136	1.3
135.11728	0.6
147.11685	1.0
149.13293	1.0
157.10107	0.8
159.11696	0.5
175.11214	0.4
185.04240	0.8
193.12282	1.2
203.05379	1.0
213.23531	0.4
239.23674	0.5
243.08249	2.1
251.12471	0.6
260.13580	0.4
269.17484	2.3
292.64056	0.4
307.15274	0.7
313.27518	0.8
316.11877	0.4
335.25830	2.1
340.31982	0.5
347.09424	2.1
382.67459	0.5
405.13638	4.7
447.59579	0.5
469.20499	6.2
493.19897	0.4
497.30710	3.5
529.38983	5.1
577.93829	0.5
631.25745	6.3
659.35760	3.4
725.44360	2.1
887.49689	100.0
888.50134	6.6
891.51581	0.5
924.43250	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5315
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	3.8
67.05504	100.0
67.67188	2.7
69.03433	12.1
69.07066	30.4
69.32165	8.2
69.32587	16.9
71.04992	5.0
79.05491	59.2
81.03419	23.9
81.07056	69.5
82.07390	2.6
83.04976	11.0
83.08613	19.7
85.02911	16.4
85.06525	6.7
87.04485	3.3
91.05480	45.9
93.07042	39.7
95.04950	14.7
95.08603	27.5
97.02903	10.9
97.06548	13.1
97.10182	17.9
98.20776	4.4
99.08121	3.5
99.48305	2.7
101.06009	3.2
105.07028	33.0
107.04955	8.1
107.08598	33.9
109.02863	2.4
109.06521	6.0
109.10155	57.4
111.04415	3.7
111.08084	7.7
117.07012	13.5
119.08593	30.4
121.06501	6.1
121.10134	14.8
123.08055	4.8
123.11686	2.9
125.09624	13.0
129.05490	3.6
129.06992	5.5
131.08562	16.3
133.10132	15.8
135.08040	3.8
135.11667	13.5
137.09615	5.6
143.08563	5.6
145.10110	19.0
147.07991	4.3
147.11693	11.1
149.09645	13.5
149.13309	9.4
155.10684	3.2
157.10132	4.1
159.11714	8.3
161.13278	4.0
163.11147	14.0
173.09576	3.0
173.11749	15.2
177.12682	4.6
179.14348	4.1
181.12274	2.9
189.11209	5.5
193.12271	5.2
194.98801	2.9
198.14049	2.8
199.13290	6.9
209.11720	6.2
217.27129	2.5
224.62910	2.4
227.12766	19.2
229.14346	41.0
239.18002	3.3
247.20755	2.9
255.16071	6.8
257.19086	8.2
267.15933	5.7
269.17517	17.5
275.20059	33.1
301.16458	6.8
335.25565	3.6
349.23639	22.4
399.23776	12.6
409.25906	6.9
423.27432	18.4
495.29358	3.9
503.33676	11.0
593.36761	16.1
673.42883	5.9
759.42700	2.8
772.43134	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	883.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
63.92250	0.3
67.05491	0.6
68.99791	3.2
69.97967	0.9
69.98374	0.4
77.03926	0.9
79.01842	3.9
79.05489	0.4
81.03416	0.4
88.77379	0.2
89.03927	0.3
91.05478	0.7
95.04948	1.3
97.02872	0.8
105.03378	1.3
105.04539	0.3
107.01302	1.0
107.04949	1.0
108.00355	0.3
109.02873	0.5
111.00792	1.9
111.04437	0.7
111.70960	0.3
115.05466	0.5
119.04926	0.7
121.02835	0.3
123.04422	58.0
124.04751	0.9
125.02348	3.0
127.03896	3.5
129.07008	0.4
131.04926	0.8
133.02861	0.3
133.06415	0.4
135.00732	0.5
135.04414	4.1
137.02322	1.2
137.06032	0.4
139.03889	6.0
141.06975	0.9
143.03383	6.3
143.05005	0.3
145.02827	0.4
145.06459	0.7
147.04402	3.1
149.02283	0.7
150.03113	0.4
151.03900	5.4
153.01820	100.0
154.02170	1.3
155.04901	1.3
157.06468	0.9
159.04404	1.0
161.02322	0.3
161.05943	1.2
163.03902	13.1
165.05450	0.7
165.06799	0.5
167.03380	0.3
169.06451	1.0
173.02362	0.7
173.05965	3.3
175.03905	0.9
175.07491	0.4
177.05486	0.9
179.03395	13.6
181.04977	0.4
181.06485	0.8
183.04433	2.1
183.34021	0.3
185.05956	1.3
187.03897	2.8
187.07416	0.4
189.05438	1.4
191.03372	0.7
191.07022	0.4
193.04941	0.7
193.06508	0.5
197.05962	3.0
201.05476	6.2
203.03384	3.2
203.07076	1.4
207.04578	0.3
207.06447	0.4
209.05869	0.4
211.03860	0.8
211.07584	0.4
213.05418	2.4
215.03447	0.7
215.07060	1.2
217.04948	0.6
219.06531	0.5
221.05957	1.5
225.05446	3.0
227.03389	0.4
227.06978	0.4
229.04926	7.4
231.06497	0.7
237.05417	0.8
239.07050	0.8
241.04909	1.3
243.06592	1.7
245.04413	1.8
247.06010	25.5
248.06454	0.4
249.05511	1.5
253.04932	3.6
255.06473	1.8
257.04425	2.5
258.05026	0.3
259.06055	1.7
265.04956	0.5
267.06509	2.3
269.04416	1.8
271.05997	64.6
272.06451	1.8
273.07629	1.4
275.05411	1.3
277.04907	0.9
283.05981	7.0
285.07489	0.7
287.05499	5.3
289.07147	2.3
291.04916	0.7
295.05984	12.6
296.06363	0.3
297.04553	0.4
297.07373	1.3
299.05542	3.4
303.04965	1.0
303.08594	0.7
307.06104	0.5
311.05518	2.0
313.06946	0.7
315.04849	1.6
331.04443	10.3
355.04434	0.7
391.07953	0.5
393.09625	1.7
409.09119	5.1
411.10947	1.5
417.09555	2.7
421.03799	0.5
421.09155	6.6
433.09006	0.4
435.10590	1.2
441.08002	1.8
543.12537	1.1
561.10931	0.4
563.11591	1.1
571.86731	0.3
713.14191	0.4
736.34888	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.4637
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	0.9
67.05501	17.8
69.03429	4.4
69.07050	4.4
69.51286	6.1
71.04977	2.7
79.05492	15.9
81.03415	74.8
81.07052	17.0
83.04981	9.0
83.08619	20.7
85.02443	0.7
85.02905	10.1
85.06524	0.8
87.24180	0.8
91.03923	2.2
91.05477	23.5
93.07042	13.4
95.04964	27.1
95.08597	8.1
97.02895	3.7
97.06506	1.9
97.10162	5.6
105.07029	17.9
106.32907	0.6
107.04952	7.6
107.07951	0.8
107.08603	7.0
109.06522	5.2
109.10138	3.1
111.04443	1.6
111.08067	9.2
113.05984	1.3
115.05473	1.7
117.07024	3.6
119.04949	0.8
119.07793	1.1
119.08577	13.6
121.06519	4.1
121.08681	0.6
121.10140	7.6
123.04434	1.2
123.08057	2.3
125.09650	4.4
127.03871	1.1
129.07004	12.8
131.04898	0.8
131.08563	11.2
133.06442	4.4
133.10112	8.0
135.07996	1.7
137.06009	1.1
137.09615	1.7
141.06998	1.0
142.07765	2.5
143.08507	2.0
145.06473	5.2
145.10109	2.6
147.04347	1.1
147.08044	4.6
147.11687	10.3
149.09639	6.5
153.09079	0.8
155.08595	1.3
157.06474	1.1
157.10115	12.6
159.08063	1.0
161.09662	1.3
163.05977	1.0
163.11224	0.8
165.12730	1.5
169.10081	0.9
171.08044	1.1
171.11679	1.5
175.11186	8.6
181.10120	1.0
183.11755	0.8
189.11168	1.4
193.12245	28.6
197.13274	1.5
205.12184	0.9
211.13249	12.4
213.12715	1.2
217.12247	0.9
227.12599	0.9
227.14534	0.9
229.14375	1.4
231.13773	0.8
233.15413	1.0
235.13225	0.7
249.14908	1.3
255.13799	1.6
267.15906	100.0
268.16260	2.0
273.14835	5.4
285.16943	11.8
309.16989	1.4
314.80734	0.8
323.19827	0.8
339.23477	0.9
341.21103	2.3
349.21539	3.5
367.22626	7.9
385.23663	11.1
403.24673	4.0
405.24078	1.1
423.24738	0.9
433.25848	16.4
441.26309	7.1
459.27402	70.0
460.27588	2.3
461.64752	0.8
477.28470	44.0
478.28824	1.6
491.29883	1.2
501.28189	1.9
519.29144	2.7
573.30890	1.1
585.29773	1.4
603.31665	1.2
621.32623	1.0
671.82147	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.1708
Annotation	3-O-Galloyl-ent-epicatechin-(4alpha->8)-ent-epicatechin-3-O-gallate
Peak:m/z	Relative Intensity
64.28659	0.2
65.03931	0.4
67.05489	0.8
68.19308	0.2
68.99777	2.8
69.03409	0.3
69.61730	0.4
69.62137	1.1
71.16904	0.2
74.53864	0.2
77.03937	0.4
79.01849	4.5
81.03393	0.4
81.71455	0.2
82.43451	0.2
87.00846	0.2
87.17490	0.2
89.03898	0.3
91.05498	0.4
95.04946	0.7
97.02876	1.2
103.05444	0.4
105.03403	0.4
105.07034	0.2
107.01299	1.0
107.04945	0.8
109.02871	0.3
111.00774	1.9
111.04423	0.8
115.05460	0.6
117.03406	0.3
117.07053	0.2
119.04924	0.7
121.02873	0.6
123.04417	30.7
124.04769	0.6
125.02347	3.2
127.03910	9.0
128.04184	0.3
128.06226	0.3
129.06956	0.4
131.04930	1.0
133.02847	0.3
133.06470	0.4
135.04404	4.9
137.02351	1.3
137.05962	0.2
139.03891	11.4
141.01826	0.4
141.06995	0.9
143.03387	7.7
143.04733	0.4
145.02837	0.4
145.06477	0.8
147.04396	4.1
149.02371	1.3
149.05969	0.7
151.03899	9.9
153.01814	100.0
153.02780	3.7
154.02135	1.6
155.04915	0.7
157.06499	0.7
159.04431	1.6
161.02306	0.7
161.05963	1.6
163.03897	11.5
164.04256	0.4
165.05470	1.3
167.03384	1.3
167.04774	0.3
169.06529	1.1
171.04384	0.5
173.05954	2.0
175.03897	2.2
175.07513	0.2
177.05457	1.6
179.03389	5.0
180.03825	0.2
181.05051	0.2
181.06512	0.8
183.04411	0.8
185.05980	1.2
187.03864	3.7
187.05475	0.2
187.07439	0.3
189.01836	0.2
189.05444	2.7
191.03389	2.9
193.04961	1.8
197.05960	2.4
199.03883	0.3
199.07558	0.2
201.05461	3.0
203.03386	4.0
203.06815	1.0
205.04976	0.9
207.02858	0.9
207.06483	0.4
209.06006	0.5
211.03883	0.4
211.07568	0.3
213.05429	2.4
215.03407	0.8
215.06940	1.1
217.04985	1.6
218.05327	0.2
219.06541	0.3
225.05402	1.6
227.06982	0.4
229.04915	3.9
230.05568	0.3
231.02756	0.3
231.06552	0.7
233.04445	1.3
237.05460	1.1
241.04930	2.5
243.06487	1.7
245.04437	3.6
247.03413	0.4
247.05994	8.7
248.06340	0.4
253.04803	1.2
255.06514	2.1
257.04428	2.9
258.04898	0.3
259.06009	10.1
260.06363	0.4
261.07642	0.7
263.05551	0.2
265.04987	1.4
269.01950	0.2
269.04266	1.2
271.05988	39.5
272.06363	1.1
273.07498	1.9
275.05420	3.2
281.04507	0.3
283.05978	10.4
284.06351	0.4
285.07584	0.3
287.05466	10.3
288.05786	0.4
289.07013	5.7
289.10159	0.4
290.07062	0.2
291.05240	0.3
291.08560	1.0
295.05914	1.1
297.07523	0.3
299.05463	3.2
301.07056	2.1
303.04987	1.0
303.08325	0.3
315.05109	0.5
315.08542	0.3
325.07111	0.2
331.04434	2.0
340.60025	0.2
391.08121	0.9
393.09641	8.6
394.09927	0.5
399.06741	0.9
409.09143	12.2
410.09631	0.5
411.11133	1.2
413.08603	0.3
417.09595	0.5
421.09164	0.8
423.07123	0.4
435.06671	0.4
441.08246	0.7
443.09790	0.3
453.08032	0.8
484.23279	0.2
520.11243	0.2
561.09924	1.8
563.11755	1.6
579.10602	0.6
834.18671	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	0.7
67.05503	15.7
69.03424	1.6
69.07067	8.0
71.04990	1.7
71.08628	19.1
71.32820	1.9
73.02902	2.7
73.19137	0.8
79.05489	11.7
81.03413	27.7
81.07055	19.5
81.33059	0.7
83.02039	0.7
83.04975	7.4
83.08618	17.2
85.02905	20.4
85.06555	1.3
85.10172	9.8
87.04452	0.8
89.06047	1.4
90.33437	0.7
91.03954	4.9
91.05477	13.3
91.71168	0.7
92.05941	0.7
93.07044	8.0
95.04964	12.1
95.08601	18.1
97.02876	4.7
97.06539	2.3
97.10172	4.4
99.08115	1.1
103.07622	1.0
105.04462	0.8
105.07017	10.4
107.04945	2.8
107.08601	3.3
109.06501	2.1
109.10142	5.6
111.04432	1.1
111.08072	4.8
113.06010	1.3
117.07020	0.8
119.08567	8.4
121.06519	1.2
121.10146	4.8
123.08079	1.5
123.11708	3.2
127.03902	2.1
129.06996	4.9
131.08548	6.0
133.06548	0.9
133.10141	4.2
137.13101	0.8
142.07721	1.8
145.04997	1.5
145.10155	1.2
147.08072	1.2
147.11690	6.5
149.09641	2.3
157.10117	7.7
163.06119	1.2
165.12784	2.1
175.11174	7.3
193.12233	20.8
197.68050	0.9
211.13284	25.9
227.22446	0.8
234.76323	0.8
239.23677	1.8
257.24811	1.5
267.15866	12.9
285.16943	33.2
313.27356	71.1
314.27359	1.4
450.00897	0.7
505.38876	15.2
523.39929	100.0
524.40302	3.4
861.78223	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
64.46581	0.8
65.66363	0.8
67.05507	14.4
67.84008	0.8
69.03415	2.7
69.07068	6.1
69.91278	4.1
71.04981	2.2
71.08630	16.8
73.02908	1.6
75.04464	0.9
79.05488	13.3
81.03416	37.0
81.07054	17.2
83.04988	8.7
83.08619	18.4
85.02427	1.6
85.02907	23.1
85.06522	1.8
85.10188	9.3
85.37321	0.7
91.03939	7.0
91.05476	16.2
93.07042	9.4
95.04967	14.3
95.08611	15.1
97.02892	6.7
97.06541	2.2
97.10168	4.4
98.21503	1.1
103.07549	1.2
105.07029	10.7
107.04938	3.8
107.08570	4.1
109.06501	2.7
109.10154	7.6
111.04415	1.5
111.08099	4.1
113.05997	1.3
115.05413	1.1
119.08560	8.7
121.06509	1.6
121.10159	5.6
123.08069	1.4
123.11703	3.0
127.03891	2.1
129.06992	5.7
131.08571	6.0
133.06465	1.4
133.10126	5.8
137.13264	1.8
142.07803	1.3
145.04961	2.1
145.10103	0.9
147.08151	1.1
147.11681	9.5
149.09689	4.1
157.10135	9.0
162.13467	0.8
163.05995	2.4
165.12746	2.6
168.39545	0.8
174.06094	1.0
175.11174	8.4
193.12236	25.5
211.13278	47.2
239.23630	2.1
257.24609	1.0
267.15897	16.3
285.13672	1.0
285.16965	64.4
313.27350	66.8
314.27542	1.8
405.95883	0.9
505.38889	16.2
523.39923	100.0
524.40057	5.4
769.30341	1.0
781.96600	1.4
786.19556	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5412
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	10.7
69.03418	2.1
69.07061	4.0
71.04993	1.8
71.08625	11.1
79.05492	6.0
81.03416	24.9
81.07063	13.1
83.04991	5.2
83.08620	13.2
85.02429	1.3
85.02911	13.9
85.03387	1.9
85.10205	5.1
91.03948	2.6
91.05476	8.1
93.07026	5.2
95.04956	11.2
95.08625	8.9
97.02894	4.1
97.06508	2.0
97.10168	4.2
105.07021	5.7
107.04944	2.1
107.08562	2.9
109.06556	1.6
109.10168	3.9
111.08087	3.9
119.08569	7.0
121.10139	3.0
123.08061	1.8
123.11688	2.4
127.03934	1.1
129.07037	3.3
131.08569	3.3
133.06497	1.6
133.10110	3.1
134.93062	1.1
137.25203	1.0
142.07687	0.9
147.08043	1.5
147.11710	6.3
149.09596	2.3
157.10127	6.5
165.12738	1.4
175.11186	7.2
193.12247	22.5
211.13278	25.4
239.23653	1.6
267.15948	7.0
285.16953	26.8
313.27365	32.0
505.38727	7.0
523.39954	100.0
524.40619	2.5
772.67633	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.4689
Annotation	Unknow
Peak:m/z	Relative Intensity
61.57530	0.6
67.05502	12.2
69.03410	1.0
69.07072	3.3
69.55797	5.8
71.04984	1.4
79.05489	20.4
81.03419	30.9
81.07053	11.6
83.04981	3.0
83.08273	0.6
83.08630	5.7
85.02911	1.8
86.09702	2.0
91.03929	1.2
91.05481	18.3
93.07043	19.1
95.04967	14.6
95.08610	6.2
97.02885	2.4
97.06539	1.6
97.10185	1.7
105.07031	12.3
107.04993	3.4
107.08591	4.5
109.02833	0.8
109.06516	2.0
109.10163	1.8
111.04395	0.9
115.05515	0.9
117.07027	3.1
118.55112	0.8
119.08572	8.3
120.08153	1.1
121.06489	2.0
121.10162	2.6
123.04442	1.0
123.08079	2.7
128.06212	0.8
129.07018	6.9
131.08537	3.2
133.06512	1.3
133.10168	3.8
135.08070	0.8
135.11755	0.9
142.07777	1.2
143.08571	3.1
145.10147	3.0
147.08075	1.9
147.11694	10.1
149.09613	1.2
157.10147	3.2
159.11649	1.0
161.09552	1.2
161.13261	3.0
163.11172	0.8
165.12737	1.3
171.11713	7.9
175.11206	2.9
184.07379	2.6
188.50764	0.7
189.12767	2.2
191.06512	0.8
193.12238	7.3
207.13797	5.4
211.13350	0.8
249.14848	0.9
267.15915	27.4
268.16153	1.2
281.17468	22.3
300.55969	0.7
360.61377	0.7
455.28900	0.9
473.29001	100.0
474.29282	3.7
491.29816	0.8
515.30072	2.7
581.31506	0.9
660.02710	0.7
883.23425	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	0.7
68.99794	4.4
71.57625	0.6
82.44374	0.5
95.04938	0.9
109.02921	1.4
111.00799	1.4
111.04476	1.0
116.00633	0.6
119.04982	0.8
121.02889	1.3
123.04436	13.7
127.03904	10.9
131.04878	1.5
133.02907	1.0
135.04417	3.6
136.04736	0.7
137.02391	4.2
139.03905	17.2
143.96529	0.7
145.02861	0.7
145.06445	1.0
147.04359	3.8
149.02342	5.6
150.03116	0.7
151.03908	4.3
153.01828	12.7
155.03421	1.4
155.04794	0.6
159.04420	1.6
161.06015	1.3
163.03909	11.4
165.05515	2.3
167.03435	1.1
171.04350	0.7
173.05919	1.8
175.03908	2.9
177.05560	1.7
179.03410	4.5
183.04402	1.7
185.05965	1.6
187.03854	3.9
189.05505	1.8
191.03391	6.1
193.04971	1.7
197.06018	1.2
199.03893	0.8
201.05475	4.4
203.03369	4.1
205.05013	1.8
211.03969	0.8
213.05467	2.6
215.03329	2.1
216.04131	1.0
217.04968	1.8
219.02914	3.8
219.06448	0.9
221.04587	0.8
227.07080	0.7
229.04930	8.3
231.06483	1.9
233.04393	2.0
237.05675	0.9
241.05023	3.0
245.04456	6.0
247.06027	11.7
253.04918	1.4
257.04440	30.4
258.04956	1.9
259.05984	6.4
261.03925	2.6
263.05441	1.6
265.04984	0.9
269.04422	2.6
271.05948	5.0
273.07620	1.1
274.04541	1.5
275.05475	8.2
278.19626	0.6
281.04474	1.1
283.05960	4.2
285.04004	4.9
285.07150	0.9
287.05499	33.6
288.05966	1.1
289.07083	2.1
291.08829	1.1
295.05948	1.3
297.03958	0.8
299.05496	4.6
301.07068	6.9
302.04233	0.7
303.04990	100.0
304.05286	3.9
305.06604	1.0
309.03891	0.8
315.05014	1.0
317.06610	3.1
327.04813	0.9
377.06876	1.1
381.05844	1.0
389.06512	1.6
393.05908	1.8
395.07620	2.3
405.06061	2.4
407.07678	1.6
409.04462	0.9
409.09293	12.6
411.06137	1.2
411.11185	4.5
413.08557	2.2
419.07584	1.1
423.07178	2.2
425.08786	1.1
427.10202	2.0
429.08170	4.3
433.05417	1.4
435.06766	1.6
437.08527	0.9
441.07986	1.0
447.07050	2.4
451.06683	0.9
463.06552	1.8
465.08096	1.0
533.09576	0.9
543.09143	2.6
549.10333	20.5
550.10400	1.1
555.09119	1.2
559.08600	9.0
571.08746	0.9
573.10223	3.5
577.09570	2.1
585.10559	1.9
589.09735	2.4
601.09351	0.9
603.10291	0.9
630.01013	0.9
693.11743	1.9
695.13513	1.4
711.13428	11.8
713.14514	1.1
729.14447	5.1
839.38324	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.192
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02378	0.3
68.99789	2.2
71.57605	0.5
77.03905	0.4
79.05505	0.3
81.03394	0.9
89.03899	0.4
95.04977	0.4
99.04439	0.4
105.03407	0.3
107.04932	1.1
109.02867	0.9
111.00778	0.8
111.04433	1.9
115.05446	0.4
117.77257	0.2
119.04926	0.9
121.02863	1.2
123.04424	11.6
125.02352	0.6
127.03915	16.7
131.04922	0.7
135.04419	8.9
137.02342	1.0
139.03894	10.5
141.06940	0.3
143.03380	0.5
145.02765	0.3
145.06439	0.7
147.04381	2.6
149.02324	4.0
149.05948	0.6
150.03059	0.3
151.03914	2.7
153.01823	8.6
155.03360	0.8
155.04926	0.6
157.06532	0.4
159.04433	1.7
161.02344	0.3
161.05977	1.0
163.03897	9.2
165.01784	0.5
165.05447	1.2
167.03371	1.8
169.06482	0.8
173.05974	1.7
175.03880	1.0
177.01878	0.5
177.05479	2.4
179.03363	2.0
180.51453	0.3
181.05003	0.7
183.02997	0.4
183.04424	1.1
185.06015	0.9
187.03906	2.1
189.05453	0.8
191.03389	3.6
192.01855	0.3
192.03984	0.4
193.04948	0.9
197.05960	1.3
201.05426	2.8
203.03400	1.8
203.07060	0.6
205.04997	1.8
207.06429	0.3
211.04005	0.5
213.05370	1.0
215.03410	1.6
215.06897	0.8
217.04953	0.8
219.02956	1.6
219.06610	0.4
225.05389	0.6
227.03392	0.6
229.04942	5.2
231.06573	0.6
233.04263	0.7
241.04922	1.3
243.02899	0.7
243.06519	1.2
245.04449	3.1
247.06009	13.7
253.04895	0.6
253.86528	0.3
255.02905	0.5
255.06493	0.3
257.04462	8.2
258.05127	0.4
259.06049	1.5
261.03967	2.7
261.07156	0.5
263.05380	0.5
267.02786	0.3
269.04443	1.8
271.05978	4.5
273.03955	1.8
273.06586	0.3
274.04718	0.4
274.26395	0.3
275.05405	3.1
281.04343	0.6
283.06027	1.1
285.03989	2.8
287.05490	6.4
289.07056	2.7
291.08691	0.5
295.06027	0.5
297.04047	1.4
299.05438	2.0
301.06943	1.5
303.04977	100.0
304.05176	2.0
309.03894	0.7
311.05573	0.4
315.04941	6.5
316.05313	0.4
319.08240	0.4
327.04926	2.1
345.06058	0.8
351.05063	0.6
355.04361	0.5
374.36511	0.3
377.06671	0.4
389.06644	0.4
405.05905	1.1
407.07669	0.8
409.09213	2.8
411.10815	0.5
417.06271	0.4
421.09659	0.5
423.07129	4.3
427.10333	1.8
433.05792	0.4
435.06992	1.0
437.08441	0.5
439.05865	0.5
439.11029	0.5
441.08167	26.3
442.08115	0.5
449.08664	0.4
451.06836	0.4
453.08136	6.1
457.05542	0.4
467.09717	2.2
477.07895	0.4
483.09213	4.4
489.86932	0.3
541.07202	0.4
557.09216	0.3
559.08197	1.9
561.10345	0.9
575.11963	1.5
577.09857	3.8
585.10321	1.1
589.09143	0.4
593.12567	0.8
603.11230	0.9
711.13373	1.9
713.14990	0.7
729.14404	2.7
864.66858	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
68.45222	0.6
68.99791	3.4
71.57968	0.9
81.03436	1.1
85.02885	0.5
86.09708	3.2
91.05476	0.6
107.04938	0.5
109.02880	0.8
111.00785	1.9
111.04424	1.5
111.42179	0.5
115.05413	0.8
119.04919	0.9
121.02853	1.0
123.04429	11.1
127.03910	9.0
134.92044	0.5
135.04419	1.7
137.02341	9.7
137.03372	0.6
139.03900	21.6
147.04417	4.0
149.02348	5.3
149.06065	0.6
151.03883	5.7
153.01839	6.2
155.03354	1.3
155.83777	0.5
161.05959	1.5
163.03934	4.0
165.05467	0.9
167.03394	1.2
167.04810	0.5
171.04433	0.7
173.06024	1.0
175.03925	4.1
175.07578	0.8
177.01915	0.7
177.05473	1.3
179.03401	8.2
180.95697	0.5
183.04388	0.7
185.06023	1.8
187.03894	1.1
189.05501	1.2
191.03392	1.5
193.05055	0.8
197.05980	1.4
199.03947	1.6
201.05449	2.1
203.03374	6.8
203.07097	0.7
205.05052	0.5
211.03883	1.0
213.05508	4.4
215.03412	1.0
217.04980	1.4
221.04337	0.7
227.03436	1.3
229.04979	3.3
231.06508	6.7
233.04359	1.2
237.05383	0.9
241.04788	2.4
245.04443	6.7
245.18655	1.1
247.06017	4.6
253.04912	1.2
257.04471	16.6
258.05109	1.9
259.06039	5.1
263.05417	3.8
269.04465	4.1
271.05994	2.9
273.03720	0.5
275.05426	3.6
281.04501	1.0
283.05832	0.7
285.03967	1.6
286.04648	0.6
287.05496	100.0
288.05862	3.4
290.81204	0.6
291.08887	0.6
293.04611	0.7
295.06039	0.6
297.03925	1.1
299.05481	9.7
303.04803	3.0
305.06604	2.3
307.06058	0.5
311.05515	1.7
315.05063	0.8
317.06552	10.7
323.05136	0.7
373.07193	0.7
377.06622	1.4
381.06107	0.6
389.06662	1.1
391.07996	1.4
393.06036	0.6
395.07574	2.3
405.05933	0.8
407.07507	1.7
409.09152	7.8
413.08646	8.9
419.07571	1.6
423.06708	2.6
425.08701	2.8
427.10425	2.9
435.07080	1.1
447.07117	2.7
451.09985	1.5
465.08609	0.7
543.01776	0.7
543.09271	6.0
549.10254	10.5
561.10101	1.9
573.10394	4.7
585.10327	0.8
693.11884	0.8
695.14056	5.5
696.13696	0.9
711.13434	2.6
713.14758	4.5
913.01959	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	0.9
65.71294	0.9
68.99787	5.0
70.83427	2.4
82.34673	0.8
87.10090	0.9
95.04935	1.4
99.45915	0.8
111.00792	2.4
111.04470	1.0
119.04931	1.1
121.02841	1.9
123.04433	14.2
127.03925	12.4
131.04951	1.3
135.04416	7.1
137.02347	4.1
139.02927	1.5
139.03906	17.0
145.06477	1.3
147.04382	5.2
149.02357	6.5
151.03935	4.1
151.92848	0.8
153.01825	14.7
155.03412	1.4
159.04446	1.6
161.05936	2.1
163.03914	12.3
165.05438	1.8
167.03371	1.8
171.04462	1.2
173.05991	2.3
175.03877	2.7
177.05475	2.8
179.03383	3.3
183.04404	1.1
185.05980	1.2
187.03925	2.9
189.05388	2.1
191.03470	4.6
193.04922	2.2
197.05965	1.1
201.05499	5.2
203.03394	3.5
203.36478	0.9
205.04959	2.6
211.03955	1.0
213.05501	3.1
215.03444	2.9
217.04997	1.7
218.80499	1.1
219.02927	4.9
225.05453	1.0
229.04926	7.5
230.11775	1.0
231.06532	2.1
233.04456	2.3
241.04938	2.9
243.02882	1.2
243.06433	1.4
245.04384	6.8
247.06029	11.8
253.04935	1.7
257.01752	1.8
257.04443	28.3
259.06039	5.7
261.03934	3.5
269.04337	4.1
271.03119	1.1
271.05981	6.5
273.04001	1.2
273.07407	1.2
274.04514	1.4
275.05417	7.2
281.04373	2.1
283.05997	4.4
285.03998	6.7
286.04483	1.0
286.49698	1.0
287.05499	35.9
289.07101	2.7
297.04105	1.1
299.05502	3.5
300.33151	0.8
301.07095	5.5
303.05005	100.0
304.05356	3.7
315.05081	1.1
317.06464	1.0
327.05017	1.7
329.06659	0.9
335.05490	1.2
351.05127	1.1
365.06927	1.0
389.06528	1.2
391.07999	1.4
393.05783	2.0
395.07578	1.2
405.05905	1.8
407.07690	1.5
409.09146	11.3
411.06216	1.7
411.10693	4.8
413.08981	1.5
419.07617	1.1
423.07101	3.5
425.08588	2.9
427.10175	2.8
429.08096	4.0
433.05252	1.1
435.06592	1.0
437.08960	1.1
439.75006	1.0
441.08212	3.2
447.06982	2.5
465.08334	1.3
533.10614	1.3
541.08002	1.2
543.09210	2.4
549.10278	16.6
559.08691	7.8
573.09943	2.7
577.09418	2.2
585.10168	1.9
589.09222	2.5
693.11658	1.5
695.13861	1.8
711.13477	9.9
713.14886	1.1
729.14362	5.6
790.00653	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
61.37541	2.6
67.05513	15.5
69.07069	7.9
69.60966	2.4
71.07468	2.5
71.08634	18.2
71.59454	4.1
73.02918	2.8
79.05498	15.5
81.07059	18.6
83.04984	3.9
83.08617	15.3
85.02901	3.9
85.10172	8.5
91.03941	3.5
91.05473	6.5
93.07049	25.9
95.04968	6.6
95.08606	37.5
97.02866	7.1
97.10164	6.6
99.04482	3.5
105.06991	3.2
107.04945	4.1
107.08583	15.5
109.10159	9.6
117.07027	5.5
119.08581	6.4
121.06491	5.0
121.10155	9.9
122.83012	2.6
133.10080	2.6
135.11697	36.7
145.10123	24.1
163.11162	55.7
181.12267	10.4
227.12801	54.2
283.15387	97.7
284.15799	3.3
313.27356	89.7
505.77341	3.0
521.38397	100.0
522.39063	5.5
601.44775	2.9
757.34302	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	881.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	0.4
68.99777	2.9
71.58665	0.6
81.03411	0.8
85.02865	0.7
91.05460	0.7
95.04954	0.7
105.03385	0.8
107.04939	0.4
109.02871	1.0
111.00797	1.9
111.04436	1.6
111.75149	0.4
119.04929	0.9
121.02841	1.3
123.03565	0.7
123.04428	11.6
127.03911	13.3
131.05032	0.5
135.04375	2.9
137.02335	9.4
137.03400	0.7
137.06038	0.4
139.03896	19.9
141.01666	0.4
143.04921	0.5
145.06494	0.5
147.04402	4.3
149.02332	6.2
151.03893	6.7
153.01810	5.3
155.03343	1.5
155.04774	0.5
157.06491	0.8
159.04408	0.9
161.05943	1.3
163.03899	4.8
165.01807	0.5
165.05453	1.0
167.03400	1.5
167.04831	0.6
171.04440	0.7
173.05948	1.1
175.03882	3.4
177.01823	1.0
177.05470	1.7
179.03386	7.4
179.06952	0.4
181.04892	0.5
183.04422	0.9
185.05954	1.8
187.03894	1.5
189.05435	2.1
191.03375	2.5
193.04984	1.0
197.05919	1.0
199.03922	1.1
200.04745	0.5
201.05510	2.8
203.03374	6.1
203.06876	0.5
205.04823	0.9
211.04028	0.5
213.05457	3.8
215.03349	0.8
215.06877	0.5
217.04967	1.4
219.02881	1.0
221.04408	0.5
225.05457	0.7
227.03459	1.2
229.04964	5.0
230.05571	0.6
231.06493	5.0
233.04370	1.2
241.05005	2.1
242.05748	0.5
243.02835	0.5
243.06419	0.6
245.04440	7.6
245.06764	0.7
247.06003	6.2
251.05568	0.5
253.05005	1.4
255.02840	0.5
257.04440	16.0
258.05124	1.1
259.05951	4.6
261.03894	1.0
263.05368	2.6
267.06522	0.5
269.04453	4.6
270.05045	0.5
271.05917	3.9
273.04102	0.6
273.07498	0.5
275.05453	3.9
281.04544	0.8
281.08206	0.4
283.05917	0.9
285.03925	1.8
285.07153	0.4
286.04770	0.6
287.05481	100.0
288.05862	2.7
289.07001	0.5
295.05878	0.7
297.03961	1.0
299.05469	9.9
301.07141	0.7
303.01532	0.9
303.04962	17.1
304.05353	0.5
305.06589	3.5
309.04047	0.6
311.05402	2.2
315.04974	1.8
317.06552	7.2
323.05527	0.9
327.04904	0.7
329.06500	1.0
335.05295	0.7
349.07150	0.7
361.07043	0.5
377.06656	1.2
389.06342	1.2
391.07980	1.3
393.06046	0.4
395.07629	2.6
403.08588	0.6
407.07462	1.4
409.09155	5.7
413.08652	8.0
417.06046	0.9
419.07782	1.3
423.06973	3.3
425.08670	6.5
427.10159	3.1
435.06961	1.4
437.08713	1.2
441.08102	4.6
447.07092	2.8
451.10178	1.8
453.08157	1.2
459.07184	0.6
465.08130	0.8
467.09436	1.2
483.08994	0.5
525.07855	0.9
543.09155	6.5
549.10205	9.7
550.10864	0.6
555.09375	0.8
559.10162	0.7
561.10272	2.8
567.09265	0.7
573.10352	4.4
577.09863	0.7
585.09949	1.3
591.10773	0.8
603.11127	0.7
693.12061	0.8
695.13708	5.1
711.13458	2.5
713.15045	4.5
729.14343	0.9
898.77795	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4696
Annotation	Unknow
Peak:m/z	Relative Intensity
64.46665	1.2
69.26070	12.6
77.85969	1.3
86.09744	1.5
88.78732	1.2
111.68307	1.1
133.04573	1.2
152.05719	1.8
184.07323	2.6
215.18465	1.3
238.58136	1.2
499.18890	1.7
553.24896	1.3
649.19708	1.4
791.40472	1.9
877.47009	100.0
878.47614	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4919
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	7.9
67.05515	10.0
69.03437	4.7
69.07082	4.3
71.58975	2.4
73.02923	6.7
79.05502	6.9
81.03402	4.6
81.07056	8.7
83.08626	2.7
85.02918	10.4
88.54796	2.6
91.03955	5.0
91.05499	4.6
93.07060	8.1
95.04987	2.8
95.08599	5.1
97.02914	9.2
100.13337	2.5
105.07001	5.5
107.08607	4.2
117.38803	2.3
119.08543	3.3
127.03875	2.7
131.08618	3.8
133.10162	4.6
135.11684	4.6
161.28011	2.4
184.07390	3.8
185.04248	3.8
243.08603	8.3
280.78922	2.4
301.09030	10.3
315.10626	3.1
333.20517	7.7
373.11224	5.8
385.18344	5.6
409.93301	2.8
439.19199	13.6
453.21255	3.5
481.20493	11.4
490.73724	2.4
541.22424	15.9
546.65857	2.6
549.26959	2.8
551.28204	22.4
623.30591	6.8
625.32404	3.9
693.37939	3.1
723.39972	3.8
749.40765	42.4
791.41864	53.2
859.48047	6.6
877.48944	100.0
878.49304	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	878.5461
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	3.7
67.05496	19.1
69.07068	7.1
69.35303	30.3
71.08630	10.0
74.82371	2.7
79.05497	25.8
79.35725	3.2
81.03411	3.2
81.07055	20.8
83.04969	5.1
83.08598	8.5
85.10162	5.1
91.05470	19.3
91.12317	2.9
93.07055	24.9
95.04964	9.4
95.08600	17.8
97.06454	3.4
105.07002	13.8
105.91420	2.8
107.08623	6.0
109.10144	6.2
117.07001	4.5
119.08593	11.5
122.53107	3.3
123.08092	4.0
129.07007	4.5
145.10121	4.6
147.11655	18.3
161.13287	3.1
171.11700	10.1
202.27805	2.9
205.33412	3.2
207.13849	18.4
281.17477	54.2
313.27396	45.4
429.31616	3.1
519.40417	100.0
520.40533	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	873.2651
Annotation	Kaempferol 3-rhamnosyl-(1->2)-[xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside]
Peak:m/z	Relative Intensity
61.02921	0.9
65.99293	0.2
68.99793	0.4
69.03075	0.2
69.03426	3.4
71.01357	0.2
71.04989	7.3
71.28187	0.2
73.02906	0.9
75.04469	0.6
79.05482	0.2
81.03416	0.5
83.04978	1.2
85.02901	10.9
86.03224	0.1
87.04462	1.4
91.03967	0.3
95.04933	0.1
97.02884	3.8
99.04437	0.6
105.03384	0.2
107.04931	0.2
109.02868	0.4
111.00809	0.5
111.04421	1.0
113.05968	0.2
115.03928	2.2
117.05473	0.1
121.02858	1.6
121.89175	0.1
127.03900	0.6
129.05484	2.2
133.02823	0.2
133.04961	1.3
137.02304	0.3
137.06015	0.1
139.03979	0.3
139.71567	0.1
145.04921	0.4
147.04434	0.2
147.06517	1.1
153.01802	2.0
161.06078	0.2
163.05931	0.2
165.01836	1.0
169.04990	0.2
171.04359	0.2
171.06488	0.2
175.94217	0.1
183.02875	0.6
185.06102	0.2
199.06013	0.2
207.06450	0.2
213.05423	0.8
225.07545	0.3
231.06583	0.4
241.04971	0.6
243.08649	0.3
258.05280	0.8
259.06122	0.2
261.09677	0.7
269.04318	0.2
287.05475	100.0
288.05838	2.2
299.05426	0.6
311.05484	0.2
325.06900	0.2
329.06586	0.7
353.06610	0.4
383.07364	0.2
413.08249	0.2
419.09644	0.3
433.11301	13.3
434.11649	0.7
449.10687	0.5
595.16608	0.2
864.42389	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	873.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03428	3.7
70.21012	1.1
71.01347	0.3
71.04990	5.5
73.02896	0.5
75.04486	0.5
79.05484	0.3
81.03410	0.6
83.04977	1.3
85.02901	9.9
87.04469	1.2
90.14448	0.3
97.02885	3.5
99.04463	0.6
103.44016	0.3
103.91135	0.2
105.03426	0.2
109.02886	0.3
111.00809	0.4
111.04432	0.8
115.03915	2.5
121.02882	1.2
127.03877	0.6
129.05481	2.3
133.02838	0.5
133.04945	1.6
135.04393	0.3
137.02370	0.3
139.03873	0.2
145.04967	0.5
147.04416	0.3
147.06523	0.8
153.01845	1.9
165.01799	0.8
171.06517	0.6
183.02966	0.6
199.06000	0.3
213.05507	0.7
216.96233	0.2
225.07503	0.5
229.07346	0.2
231.06491	0.4
241.05048	0.3
243.08797	0.4
258.05267	0.6
261.09607	0.7
287.05481	100.0
288.05838	3.3
299.05478	0.4
329.06494	1.0
419.09570	0.5
433.11304	18.6
434.11609	0.9
449.10779	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	5.4
64.69414	4.4
67.05502	100.0
69.03419	6.5
69.07072	27.1
71.03835	6.9
71.04165	8.8
71.04992	6.9
79.05495	67.1
81.03422	11.4
81.07061	93.8
83.05022	5.3
83.08614	21.0
86.09712	9.1
91.05483	67.3
93.07046	64.4
95.04961	17.9
95.08605	33.2
97.06517	17.3
97.10182	10.7
105.07027	36.4
107.04927	13.6
107.08591	37.4
109.06522	8.3
109.10160	37.1
110.16027	4.8
111.08053	9.8
114.01095	4.8
115.16837	5.4
117.07034	17.6
119.08566	25.6
121.10156	17.2
125.00006	8.3
125.09583	6.7
129.06958	6.5
131.08560	23.1
133.10129	31.1
133.91545	5.3
135.08067	8.1
135.11714	13.5
137.09656	5.9
143.08553	9.6
145.10133	20.8
147.08052	5.4
147.11668	15.0
149.09627	16.0
149.13205	14.2
157.10060	7.3
159.11687	21.3
161.09677	6.9
163.11189	10.8
173.09637	5.5
173.11739	9.1
173.13293	9.6
183.11653	5.5
184.07314	17.6
189.11145	6.6
203.27277	5.3
227.12773	20.3
229.14444	26.2
248.65059	5.2
255.15952	7.1
257.19006	7.7
269.17471	37.2
275.20062	51.6
349.23767	32.5
367.24841	13.7
423.27408	21.1
449.28986	11.6
463.30646	36.2
503.33630	14.8
543.36853	46.9
561.37842	14.5
623.43054	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	876.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	6.5
63.72419	0.8
65.03929	2.9
67.05175	1.4
67.05505	20.3
69.03428	31.1
69.07072	2.0
69.23343	0.7
70.03999	2.9
70.04408	1.7
71.04993	11.5
73.02909	3.4
79.05495	14.2
79.05913	1.7
81.03421	8.0
81.07047	6.7
83.01316	0.9
83.04981	4.5
83.08622	1.3
85.02902	76.1
85.06547	9.0
87.04458	3.9
91.03949	3.4
91.05470	9.9
93.07047	7.6
95.04964	47.4
95.08602	6.1
97.02888	25.5
97.06532	10.2
99.04440	4.6
103.05481	1.2
105.07030	17.9
107.04944	1.9
107.08589	47.8
108.08911	0.9
109.02875	6.2
109.06506	2.6
109.10152	2.3
111.04424	1.5
113.06001	100.0
115.03927	1.3
115.05444	1.3
117.07018	4.6
118.09579	0.8
119.08580	6.5
121.06506	2.4
121.10138	5.8
123.04446	1.1
127.03914	17.0
129.07005	1.9
130.07787	1.9
131.08562	19.5
133.06525	1.4
133.10129	6.6
135.04430	1.4
135.08081	1.5
135.11667	3.6
137.05949	3.4
141.07027	1.3
143.08545	8.4
145.04958	28.5
145.06664	1.1
145.08598	12.7
145.10117	31.7
147.04436	1.8
147.08040	2.3
147.11693	11.6
149.05974	2.0
149.09621	4.8
149.13272	2.2
151.07552	1.0
153.01869	1.2
155.08488	1.4
157.10104	5.6
159.08089	1.5
159.11700	11.4
159.12900	1.5
161.05960	0.9
161.09624	5.0
161.13336	1.2
162.48975	0.8
163.06038	10.7
163.07426	1.2
163.11205	1.9
165.12750	2.8
167.07037	3.4
167.08430	1.0
169.10165	2.3
171.11702	3.3
173.09618	23.1
173.13252	2.6
175.07513	1.5
175.11189	5.9
177.05502	1.0
177.12769	3.3
179.07005	1.7
179.08548	1.0
181.10008	0.9
183.11693	3.1
185.09650	1.4
185.13245	1.8
187.11197	2.1
187.14856	1.0
189.07509	1.9
189.09111	1.8
189.12732	1.9
191.10635	14.6
191.14265	4.2
195.11728	1.3
197.13203	1.8
201.12753	1.5
203.10727	1.6
207.11833	0.8
209.15364	1.8
215.10628	1.7
225.12788	1.4
239.09103	2.7
243.13802	1.2
253.19533	16.3
257.10168	6.8
271.05911	1.0
271.20538	11.3
275.11298	3.6
277.19498	1.4
289.09079	2.0
289.21719	4.5
291.20941	2.0
295.20511	1.7
307.10211	0.9
309.22095	2.2
319.20551	5.4
325.11264	7.0
337.21628	23.1
355.18246	1.9
355.22653	35.5
373.23724	86.8
374.24033	3.1
391.24768	98.4
392.25006	2.7
409.25818	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	872.5368
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	2.4
65.03925	4.5
67.05506	100.0
69.03422	14.0
69.07068	61.6
69.54122	8.2
69.54552	12.6
71.04987	7.8
71.08648	3.0
73.02928	3.7
79.05496	68.1
81.03422	15.5
81.06580	4.8
81.07058	97.9
83.04990	11.2
83.08612	18.1
85.02885	8.5
85.06535	6.2
91.05484	74.3
93.07043	74.2
95.04975	22.3
95.08608	63.1
97.02888	8.8
97.06509	25.9
97.10165	10.5
99.04435	3.3
99.08102	3.0
105.04550	2.4
105.07032	55.4
107.04949	13.1
107.08597	47.2
109.02874	4.2
109.06505	9.4
109.10160	32.9
111.08070	5.2
115.05444	3.2
117.07016	24.8
119.08582	33.9
121.06508	6.8
121.10147	18.9
123.08073	10.3
123.11716	6.2
125.09617	12.1
127.03944	4.5
128.06221	3.3
129.05493	3.0
129.06990	12.8
131.08563	32.1
133.06485	5.3
133.10123	32.3
135.08032	6.9
135.11691	23.6
137.09634	13.2
139.11169	2.8
141.06961	5.5
143.08517	5.8
145.06490	3.4
145.10120	23.3
147.08063	4.0
147.11673	16.0
149.09625	26.3
149.13222	11.8
151.11201	5.2
155.08485	3.6
157.10132	8.6
159.11678	19.7
161.09579	3.6
161.13266	6.4
163.11160	14.5
169.10127	4.0
171.10205	3.0
171.11667	6.7
173.11760	9.9
173.13322	5.7
175.11201	5.1
175.14771	2.6
177.12752	6.5
179.14320	7.6
183.11647	3.7
187.11186	3.3
187.14809	3.2
189.11179	4.7
193.12061	2.6
194.54706	2.5
195.13811	3.9
197.13426	2.4
199.14854	3.4
201.12830	3.0
227.12776	7.6
229.14342	9.5
229.19438	4.0
239.17961	4.5
247.20531	3.5
255.15819	11.1
257.19040	13.3
259.20663	2.4
267.15906	2.6
269.17416	18.1
273.18506	3.4
275.20078	37.5
291.19354	7.1
349.23749	28.9
365.23160	3.9
423.27451	6.3
442.40225	2.4
527.36792	3.4
529.35565	3.6
543.36591	16.9
623.42529	3.5
728.29218	2.5
863.55170	2.8
873.44910	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	870.5201
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	4.4
67.05497	66.5
69.03426	15.3
69.07065	64.4
71.04984	6.7
79.05499	48.6
81.03398	12.7
81.07055	50.5
83.04982	11.3
83.08611	12.9
85.02908	5.4
85.06557	5.6
91.05483	49.1
92.05723	3.4
93.07043	44.0
95.04961	21.5
95.08598	31.4
97.02899	15.4
97.06516	22.4
97.10168	13.7
103.03970	3.4
103.05534	4.1
105.07039	33.3
107.04960	13.7
107.08594	29.1
109.06521	6.1
109.10137	20.2
117.07037	13.2
119.08578	28.3
121.06487	36.8
121.10131	9.2
123.08079	5.6
125.09643	10.8
127.03944	4.3
129.07018	10.2
131.08569	18.0
133.06512	5.9
133.10107	16.2
135.08067	9.0
135.11711	9.6
137.09639	12.3
143.08530	5.7
145.10185	10.9
147.08051	5.0
147.11685	9.2
149.09613	12.9
151.11116	4.5
157.10144	7.0
159.07927	5.0
159.11691	7.9
161.09547	4.5
161.13252	4.1
163.11185	8.1
171.10292	4.2
171.11714	5.7
173.60156	4.3
175.11328	3.6
179.14291	5.0
223.13306	12.2
227.12737	7.2
229.14410	7.5
257.18915	4.3
273.18536	13.3
275.20074	17.2
279.79614	4.3
291.19547	100.0
347.22101	4.5
349.23636	24.7
365.23193	22.7
384.37231	4.4
461.28879	4.1
501.34695	3.9
519.33209	6.0
543.36212	5.1
639.42517	21.6
663.17004	3.9
870.43097	11.6
871.42041	4.3
872.84973	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	872.536
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	4.1
61.93472	1.3
65.03928	6.1
67.05504	100.0
69.03427	13.7
69.07066	58.2
70.16101	6.9
71.01351	2.5
71.04972	5.0
72.36771	1.2
73.02921	3.0
77.03963	1.3
79.05494	67.8
81.03416	17.2
81.07055	76.6
83.04989	13.2
83.08621	15.9
85.02896	6.5
85.06525	4.3
85.26984	1.2
91.05482	68.0
93.07043	64.7
95.04966	24.4
95.08608	45.6
97.02889	8.5
97.06538	25.9
97.10172	13.3
99.04468	1.3
99.08095	3.3
103.05414	1.8
105.04512	2.0
105.07030	52.9
107.04955	13.8
107.08595	39.9
109.02866	2.7
109.06527	8.3
109.10154	29.8
111.08083	8.9
115.05421	2.7
117.07009	21.8
119.04956	1.3
119.08578	35.5
120.44186	1.4
121.06490	6.9
121.10126	18.1
123.04386	1.8
123.08057	7.6
123.11709	4.5
125.09641	11.1
127.03909	4.2
128.06255	2.9
129.05458	1.6
129.06996	8.9
130.07849	1.4
131.08569	29.6
133.06422	3.1
133.10133	29.8
135.08066	9.1
135.11714	13.7
137.09593	11.7
141.06992	4.2
142.07768	2.6
142.67825	1.6
143.08595	9.9
145.04929	1.7
145.06461	2.7
145.10123	21.4
146.07137	1.3
147.08038	3.8
147.11685	13.9
149.09618	25.5
149.13293	8.2
151.11133	3.3
155.08533	4.4
157.10149	7.9
159.11670	15.6
161.09601	2.1
161.13274	5.5
163.11197	12.6
165.09093	2.5
165.12740	3.1
169.10130	5.1
171.10257	2.5
171.11699	5.5
173.11748	6.7
173.13269	6.5
175.11237	3.9
177.12737	5.6
179.08635	1.5
179.14334	6.2
181.10161	1.9
181.12268	1.6
183.11713	5.1
185.13271	5.0
187.11177	3.1
187.14857	2.2
189.11215	5.3
189.12724	1.9
193.12195	2.5
195.13826	3.2
197.13255	4.4
199.13242	2.2
213.16402	1.7
215.93173	1.5
219.13835	1.5
225.16655	1.7
227.12743	7.6
229.14291	7.5
229.19505	3.0
239.17888	2.9
247.16896	1.5
247.20560	3.1
253.18140	1.9
255.15909	6.2
257.19073	9.4
259.20523	1.5
267.15930	2.8
269.17416	12.1
273.18515	4.8
275.20068	38.2
291.19479	5.8
293.21039	5.3
297.16922	1.6
313.21640	2.1
331.22592	1.7
349.23743	28.6
365.23279	1.9
367.24963	1.7
404.27472	1.4
409.25876	3.2
423.27338	5.9
431.27979	1.8
445.29346	2.5
503.33679	2.9
527.37238	2.9
529.35187	5.2
543.36835	12.6
623.43170	6.6
641.44098	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	870.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	1.3
61.41649	0.9
65.03942	1.2
67.05503	26.1
69.03413	1.3
69.07066	8.2
71.04999	2.3
71.58763	1.5
73.02926	1.4
79.05487	14.7
79.05911	1.3
81.03414	40.4
81.07054	27.0
83.04980	4.7
83.08617	11.5
85.02905	3.6
85.06526	1.9
86.09714	0.8
91.03944	1.2
91.05476	14.3
93.07044	23.0
93.36118	0.9
95.04960	12.7
95.08609	8.0
97.02897	3.1
97.06528	5.3
97.10150	2.1
99.04519	0.9
99.08105	1.5
102.68301	0.8
105.07030	8.1
107.04950	2.7
107.05648	0.7
107.08598	12.7
109.06539	2.4
109.10138	1.8
111.04453	0.9
111.08084	6.3
115.05449	0.9
117.06987	4.5
119.08569	7.6
121.06512	2.4
121.10144	8.9
121.71689	0.8
122.58339	0.8
123.04431	1.0
125.09554	0.9
127.03938	1.1
129.06998	3.6
131.08572	6.6
133.06525	1.3
133.10130	4.4
135.08124	0.7
135.11693	1.9
137.09604	0.8
142.07805	1.1
145.10138	1.3
147.08070	0.9
147.11661	4.3
149.09604	1.7
149.13249	12.2
154.18910	0.9
157.10161	4.5
159.08076	0.9
159.11710	5.7
167.07016	0.8
175.11218	4.5
177.12714	2.7
193.12236	10.5
195.13789	2.2
211.13284	1.8
219.08058	0.8
247.95302	0.8
267.15912	43.5
269.17465	35.3
396.14517	0.8
417.26135	1.4
435.27438	5.4
443.27719	1.3
461.28979	100.0
462.29367	3.4
479.30191	4.1
503.29883	3.4
511.32449	2.4
557.30762	1.0
569.31305	1.1
587.32422	0.9
599.22852	0.9
605.32819	0.9
794.68610	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	1.5
66.92549	1.1
67.01855	1.0
68.99785	9.7
70.89314	3.1
79.05486	1.5
81.03399	4.2
83.04979	1.5
85.02909	1.5
89.03899	1.5
91.05482	1.7
95.04951	3.6
99.04446	1.5
105.03384	2.0
107.04938	5.1
109.02856	4.0
111.00817	7.7
111.04439	8.7
115.05434	1.2
117.03352	1.4
119.04980	2.0
121.02880	1.8
123.04428	71.3
124.04767	1.1
127.03915	100.0
131.04947	4.0
135.04413	58.2
137.02293	6.8
139.03903	50.5
140.04311	1.4
143.04903	1.0
145.06436	1.3
147.04410	8.6
149.02351	6.3
149.05928	2.1
150.09155	1.1
151.03896	15.9
153.06967	1.6
155.04913	1.6
157.06488	1.7
159.04398	3.4
161.05978	4.8
163.03899	62.7
165.05522	6.7
167.03445	7.1
169.04994	2.7
169.06355	1.4
173.05960	6.8
175.03900	3.2
177.05463	9.0
177.11324	1.1
179.03392	8.9
181.05013	1.5
183.04402	2.0
185.05997	2.1
187.03847	10.0
187.07413	1.5
189.05452	3.7
191.03395	9.3
193.05006	2.8
197.05891	4.9
200.04832	1.0
201.05470	8.9
203.03419	11.6
203.07068	3.4
205.05009	3.3
207.02834	1.8
207.06548	1.1
213.05473	4.1
215.03477	2.8
215.07021	4.1
217.04973	2.4
219.06396	1.6
223.02261	2.5
225.05441	3.4
227.06992	1.8
229.04964	11.0
231.06596	2.9
233.04373	4.9
241.04950	3.0
243.06384	6.8
245.04456	56.2
247.06018	55.1
253.04982	3.9
255.06570	4.1
257.04434	15.2
258.05002	1.9
259.06027	13.4
261.07571	3.1
263.05664	2.1
267.06375	1.4
269.04422	6.7
271.05972	25.7
273.07507	1.4
274.04755	3.6
275.05469	23.1
279.06628	1.3
281.04471	2.7
283.05969	13.5
285.03918	1.9
287.05484	32.7
288.05756	7.3
289.07056	28.9
291.08649	20.0
293.04324	1.4
295.06070	1.7
297.04114	2.4
297.07483	1.2
299.05542	7.0
301.07019	14.8
303.08527	3.5
307.06073	1.2
309.03870	2.4
311.05496	2.3
313.07138	2.5
323.05554	2.9
331.08197	1.9
351.04886	4.0
361.07138	1.8
363.08633	1.2
365.06409	1.8
379.08139	3.9
383.07568	4.1
389.06427	2.9
391.08081	3.3
393.05954	5.4
397.09262	6.6
405.05820	4.2
407.07590	23.8
409.09167	30.5
410.09546	1.5
411.10782	5.0
419.07751	5.0
421.09131	4.6
425.08627	9.1
427.10333	13.9
433.09348	2.6
435.10883	1.5
437.08676	6.0
439.09735	2.5
449.08768	3.5
451.10049	4.2
517.10992	3.0
527.09601	5.3
535.11523	2.4
541.11426	1.9
545.10974	7.3
557.10504	1.2
577.12744	1.9
579.14740	4.5
679.14111	1.6
687.56921	1.2
697.14893	4.1
715.15723	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	0.2
68.99786	0.4
69.03430	1.6
70.06583	0.2
73.02912	0.3
78.04704	0.8
79.05477	0.9
81.03416	2.0
85.02905	3.5
87.00830	1.6
91.05468	0.6
93.07030	0.4
95.04974	0.5
97.02889	1.8
98.21558	0.4
99.04449	0.7
103.05466	0.5
105.01879	1.0
105.07031	1.7
106.04172	0.6
107.04958	1.3
109.02889	1.5
111.04454	0.4
112.01970	0.2
115.05425	0.8
117.07008	0.5
119.08585	0.3
121.06508	0.5
122.03658	0.2
123.04429	2.6
124.05211	1.1
127.03928	2.2
129.07042	0.2
131.04893	0.3
133.06493	1.9
135.04416	0.2
135.08064	0.3
137.05980	3.6
140.04573	0.3
144.05804	0.2
145.04964	0.7
145.06464	1.0
147.04359	0.2
147.08037	0.5
149.05957	0.7
149.07104	0.2
151.03917	0.6
151.07573	0.3
152.04659	0.9
155.07050	0.3
159.02882	0.7
160.05174	0.4
161.06009	1.9
163.07533	0.8
165.05444	0.4
167.07042	100.0
168.07396	1.6
173.05948	1.0
175.07579	2.0
177.05426	0.2
179.07059	0.7
181.08591	1.8
187.07550	0.8
189.09074	0.6
190.06248	0.5
191.07082	0.3
192.07877	0.3
193.08614	13.8
194.08862	0.3
195.10153	0.4
199.07585	0.2
203.07037	0.3
205.08623	2.9
207.06631	0.3
207.10135	1.0
209.08072	0.4
211.09657	16.1
212.09979	0.4
213.08951	0.2
215.07124	0.2
217.08635	1.4
219.10191	0.4
221.07994	0.4
223.09650	0.6
227.07062	0.4
231.05051	0.5
231.10112	0.3
233.07951	0.4
235.09653	2.2
239.09181	0.4
241.08559	0.3
247.09644	0.5
251.09169	0.5
253.10689	0.5
259.09653	0.5
265.10675	0.7
269.07947	0.3
271.09430	0.3
273.10968	0.3
277.10696	0.2
293.11514	0.2
295.11859	0.3
300.10110	0.3
301.10687	1.2
319.11771	2.3
321.10904	0.2
337.12894	0.3
341.13846	0.2
353.13937	0.5
371.14890	1.6
405.11969	0.4
423.12909	0.6
435.20380	0.2
505.84464	0.2
573.47101	0.2
581.23956	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	865.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	0.3
65.48336	0.3
68.99779	2.1
70.10796	0.7
70.11193	0.8
76.24814	0.3
79.99111	0.3
81.03407	0.9
85.02922	0.4
95.04960	0.5
97.02895	0.5
98.20834	0.4
103.05448	0.4
105.03371	0.4
107.01307	0.4
107.04942	0.7
109.02901	0.4
111.00787	1.0
111.04447	0.6
115.05428	0.4
119.04955	0.6
119.70380	0.3
120.67978	0.3
121.02849	1.3
123.04424	10.7
123.05326	0.6
127.03908	5.0
129.06966	0.5
131.04909	0.7
133.06508	0.5
135.04408	4.6
137.02335	10.4
137.03358	0.5
139.02795	0.4
139.03893	8.5
141.01819	0.4
143.04893	0.5
145.06471	0.4
147.04414	3.8
149.02328	4.9
149.05925	0.5
151.03886	1.9
153.01825	4.2
155.03377	0.8
157.06441	0.8
159.04335	0.5
160.27184	0.3
161.02396	0.5
161.05968	1.5
163.03888	7.8
165.01801	0.5
165.05476	0.9
167.03378	0.7
169.06474	0.4
171.04378	0.4
173.05945	1.2
175.03940	2.3
177.05437	1.0
179.03336	0.7
181.06438	0.5
183.04404	0.3
185.05914	2.2
187.03830	1.7
189.05417	2.0
191.03345	1.9
193.04912	1.0
197.06012	0.9
199.03896	1.1
201.05461	1.4
203.03377	5.4
203.07027	0.9
205.04944	0.5
207.06494	0.6
209.05940	0.5
211.04007	0.4
213.05447	3.5
215.03482	0.7
217.04909	1.0
221.04453	0.5
225.05411	0.4
227.03389	1.1
227.06911	0.4
229.04918	3.5
231.06487	4.6
232.92220	0.3
233.04379	0.6
237.05460	0.9
241.04874	2.2
243.06519	0.5
245.04462	5.7
247.05984	6.7
253.04950	0.7
255.06505	1.1
257.04449	16.2
258.05173	1.6
259.05984	8.7
265.04950	0.6
266.00229	0.3
269.04456	3.8
271.06009	3.3
273.03882	0.4
273.07581	1.2
275.05328	1.5
281.04413	0.6
283.05966	3.9
285.03900	1.0
285.07379	0.4
287.05481	100.0
288.05841	1.8
289.07019	2.7
293.04214	0.4
295.05872	0.7
297.03769	0.6
299.05563	1.8
301.07031	6.2
303.08694	0.6
307.06027	0.6
309.03894	0.5
311.05450	1.4
327.05072	0.7
331.06024	0.4
335.05493	0.5
345.07730	0.5
349.07065	0.5
350.68057	0.3
351.04910	0.5
353.06403	0.4
361.06766	0.8
363.08893	0.5
373.07037	0.9
377.06610	1.0
379.08078	0.6
389.06473	1.7
391.08096	1.7
393.05948	0.9
395.07608	2.0
403.07950	0.7
405.05728	0.4
407.07626	2.5
409.09128	10.0
411.10736	4.8
413.08713	4.1
417.05988	1.1
419.07425	0.8
421.09219	0.7
425.08569	0.7
427.10004	1.1
431.07568	1.7
435.06638	0.6
447.07178	0.9
449.08597	2.3
453.11475	0.4
525.08118	0.6
533.10767	14.0
543.09094	6.8
555.09619	0.5
557.10339	1.3
561.09906	1.4
569.10400	1.4
573.10156	2.6
575.10925	0.6
585.09937	0.4
603.39447	0.4
677.12439	0.7
695.13885	10.8
696.13519	0.5
711.90588	0.3
713.14844	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	863.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
65.57359	0.5
71.95281	0.6
80.47930	0.6
81.03402	2.1
84.96035	12.0
97.02836	0.7
98.97583	42.2
102.97055	2.2
109.02875	0.7
110.97564	6.6
112.99126	1.4
116.98617	45.7
117.21090	0.7
120.98083	0.9
124.99134	1.4
128.97676	1.2
128.98599	19.0
131.00171	3.7
134.99657	36.6
140.00191	2.4
140.98607	0.9
143.00157	5.9
144.98064	0.8
146.99648	20.2
149.01227	3.9
152.98653	1.2
153.00693	6.4
155.00140	1.2
158.01231	2.8
158.99641	6.2
160.99945	1.2
161.01212	14.6
162.99190	0.9
165.00757	4.2
170.01279	0.7
170.99678	4.9
173.01204	3.7
174.74005	0.7
177.00713	14.7
179.02307	3.6
181.00211	0.8
182.99591	1.7
184.02823	0.7
185.01227	4.1
188.01569	0.8
189.00703	10.6
191.02281	2.2
194.99823	1.5
195.01772	2.3
197.01189	0.6
198.02066	1.0
200.02361	0.7
201.00662	11.0
203.02263	10.7
203.04065	1.0
206.02467	1.4
207.01729	2.1
212.02248	0.9
213.00737	3.8
215.02228	0.7
219.01761	36.6
221.03203	1.4
223.02760	1.3
224.03586	13.5
227.02231	0.8
231.01810	3.9
237.02814	100.0
238.03157	0.7
239.03583	1.0
239.05925	4.9
241.03578	0.6
242.04819	8.2
243.01736	3.7
247.02698	0.8
255.03853	10.1
257.06961	5.8
258.44989	0.6
260.04388	4.7
261.02786	11.5
262.05130	0.7
263.05997	1.6
265.03720	2.8
272.03555	0.6
279.03772	5.4
280.06210	1.7
281.06976	11.7
284.03821	2.5
285.02786	3.4
295.08578	0.7
299.08127	1.4
302.04630	7.6
303.03903	2.2
304.08447	1.2
305.06903	1.3
307.08557	0.8
315.05304	2.1
315.08615	0.8
317.06949	4.6
320.05698	0.9
323.07944	1.2
329.06650	0.9
332.05695	1.0
335.07962	3.6
347.08035	6.6
350.06799	2.9
358.09372	0.8
365.09058	14.2
368.07611	2.3
371.07910	2.1
383.10129	62.3
384.10406	1.8
389.08966	1.8
406.11761	5.4
407.10074	20.0
408.09702	1.0
408.59277	0.8
425.11179	74.4
426.11435	2.1
448.12738	5.0
449.11407	1.6
451.09134	18.5
467.12314	3.8
469.10074	4.1
492.11554	1.7
569.15100	0.8
711.15802	0.8
753.03339	0.7
774.34491	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4975
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	6.3
67.05505	8.1
69.03419	3.3
69.07062	4.0
70.09512	9.4
71.04999	2.2
72.03692	2.2
73.02903	5.0
79.05495	8.6
81.03423	2.5
81.07063	9.2
85.02911	8.1
91.03949	4.1
91.05522	5.4
93.07047	5.7
94.29382	2.5
95.04973	2.9
95.08624	4.0
97.02921	6.6
101.02399	3.9
105.07036	4.2
107.04993	2.2
107.08588	5.6
109.10161	2.7
119.08593	6.3
131.08524	2.6
133.10204	2.5
143.03999	2.5
171.06392	2.3
184.07425	2.7
199.33447	2.2
243.08592	4.6
301.09064	7.3
320.80301	2.2
333.20230	2.9
337.18338	2.3
363.38306	2.7
373.11569	3.1
385.18689	5.4
465.21295	6.1
525.23120	7.5
535.28931	6.8
551.27734	7.2
609.32800	3.6
677.38788	3.8
695.40088	5.9
705.34161	3.3
707.39825	4.6
763.40845	2.9
775.42291	80.0
776.42834	3.7
843.48572	13.5
861.48749	100.0
862.47034	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	861.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	3.2
67.05503	5.2
69.03423	3.1
69.07071	1.6
71.04985	1.2
73.02921	2.5
79.05493	7.3
81.03424	2.3
81.07045	5.5
81.54308	0.6
82.06599	2.3
82.07386	0.7
83.08611	0.9
85.02913	3.2
86.70198	0.6
87.71587	0.6
91.03975	1.7
91.05473	6.6
91.35494	0.7
93.07033	5.9
95.04996	2.4
95.08588	3.4
97.02918	3.1
100.07627	0.8
101.02393	1.9
105.07029	6.1
107.04983	0.7
107.08612	2.3
109.10170	1.4
117.07034	1.7
119.08567	3.3
121.10178	1.6
124.34088	0.6
127.03957	1.3
131.08595	1.9
132.99051	0.6
133.10164	2.0
135.11682	0.8
137.05998	1.5
143.08597	0.8
145.10161	2.2
147.11703	0.7
159.11665	1.1
161.13283	1.0
163.11206	0.7
171.11702	0.9
173.06047	0.8
184.07414	2.7
185.13222	0.9
200.02727	0.7
243.08572	1.3
247.13152	0.8
333.20297	4.6
389.23065	1.3
465.20880	6.1
492.80756	0.6
505.61316	0.8
551.28241	11.5
590.38525	0.6
592.72723	0.8
686.52905	0.8
698.46039	1.2
699.46204	5.2
775.41864	1.7
843.51099	1.2
861.49658	100.0
862.49805	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	861.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	3.2
67.05505	4.9
69.03438	2.9
69.07067	2.2
69.25082	5.0
71.01361	0.6
71.04999	0.7
73.02927	2.4
79.05491	3.7
80.05834	0.4
81.03413	2.4
81.07063	4.3
83.04980	1.1
83.08603	0.7
85.02917	3.2
86.09716	0.4
91.03973	1.4
91.05485	4.2
93.07031	4.0
95.04988	1.0
95.08598	2.3
97.02896	2.7
97.06539	0.7
97.10187	0.4
98.20792	1.0
101.02370	0.7
105.06995	2.5
105.78734	0.4
106.60688	0.4
107.08609	1.8
109.02882	0.5
109.06547	0.7
109.10161	1.0
112.79935	0.4
117.06999	1.0
119.08591	2.0
121.10150	1.2
123.11710	0.5
125.00092	0.4
127.03936	1.0
131.08580	1.5
133.10165	1.2
135.11716	0.9
136.06195	4.7
144.72771	0.4
145.10210	0.9
147.08401	0.4
147.11697	0.5
149.09630	0.5
149.13245	0.6
168.51355	0.4
184.07321	2.9
185.04440	0.4
243.08455	2.1
253.57497	0.4
256.49902	0.5
259.20151	0.4
333.20352	2.1
389.23111	0.7
406.12405	0.4
439.19608	1.1
453.20715	2.0
503.79529	0.5
538.81628	0.4
551.28210	10.0
569.86151	0.4
698.45569	0.6
699.46277	1.4
763.41907	1.0
843.50018	0.7
861.49634	100.0
862.50049	7.4
890.38300	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.496
Annotation	Unknow
Peak:m/z	Relative Intensity
60.74064	0.4
61.02931	3.9
65.03986	0.6
67.05499	5.5
69.03430	2.9
69.07067	2.7
69.32951	3.0
69.33352	1.0
71.01336	0.5
71.04993	0.8
73.02919	3.1
79.05492	5.0
81.03419	1.9
81.07053	6.6
83.04989	1.0
83.08633	0.7
85.02905	3.8
91.03943	2.7
91.05482	4.5
93.07031	4.6
95.04975	1.5
95.08616	2.8
97.02880	3.2
97.06547	1.0
97.97710	0.4
98.21613	0.6
99.04474	0.9
101.02400	1.5
103.03929	0.4
105.07032	2.4
107.04953	0.5
107.08608	2.6
109.02879	0.5
109.06532	0.7
109.10155	1.3
111.08099	0.5
117.07042	1.0
119.08576	1.9
121.06528	0.6
121.10166	1.2
125.34668	0.4
127.03957	0.8
129.05611	0.4
131.08548	0.7
133.10133	1.2
135.11705	1.2
136.06226	1.1
145.10110	1.2
147.11693	0.6
149.09628	0.5
149.13266	0.8
157.10243	0.4
158.69806	0.4
159.11771	0.7
163.11230	0.5
173.13263	0.5
179.32932	0.4
184.07385	0.7
185.04262	0.6
203.05385	0.8
243.08424	3.3
243.10605	0.4
323.63324	0.4
333.20328	2.4
343.72128	0.4
389.23013	1.1
439.19443	1.7
453.21213	1.6
469.20627	0.9
551.28271	12.5
653.21130	0.4
699.45532	0.8
733.64069	0.5
763.42468	1.0
843.51471	0.6
861.49597	100.0
862.50073	6.5
863.16943	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	3.8
67.05506	5.1
69.03442	2.7
69.07074	3.1
69.41484	0.4
69.41834	5.0
71.01335	0.6
73.02914	2.8
79.05501	4.2
81.03423	2.5
81.07058	5.6
83.04987	1.5
83.08620	0.7
85.02917	4.4
91.03960	2.2
91.05484	4.1
93.07050	3.8
95.04995	1.4
95.08614	2.6
97.02901	3.4
97.06523	0.8
97.10178	1.6
99.04479	1.1
101.02401	0.8
103.03949	0.6
105.07011	3.0
107.08608	3.1
109.02895	0.7
109.10180	1.9
111.08033	0.8
111.61504	0.5
117.07001	1.0
119.08580	1.8
121.10166	0.5
124.38825	0.6
125.03924	0.6
125.09628	1.0
127.03921	0.8
128.93396	0.5
131.08601	0.9
133.10139	1.3
135.08084	0.7
135.11751	1.0
145.10207	0.7
147.11705	0.6
184.07318	0.7
203.05171	0.7
227.20160	1.1
228.20586	0.9
243.08420	3.6
291.19717	0.9
331.19058	0.8
333.20395	0.9
335.57486	0.6
439.19357	1.0
453.21265	0.7
461.32788	0.6
549.26825	6.2
551.28326	6.3
859.48065	100.0
860.48413	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	861.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	4.3
67.05511	6.9
69.03427	2.9
69.07079	2.8
71.04963	1.0
73.02922	2.3
79.05489	7.7
80.73641	1.0
81.03431	3.5
81.07055	7.4
82.91643	0.9
83.04966	1.8
85.02908	3.4
91.03939	1.8
91.05477	4.9
93.07049	5.8
95.04980	2.3
95.08621	3.3
97.02893	3.3
97.06554	1.1
101.02389	1.4
105.07056	3.2
107.08602	2.8
109.10184	1.5
110.26192	1.0
117.07034	1.8
117.62031	1.0
119.08630	2.2
121.10193	1.4
131.08588	1.5
133.10132	1.4
135.11800	1.2
136.06145	5.2
145.10146	1.1
147.08250	0.9
147.11754	1.1
184.03351	1.0
184.07423	1.8
243.08519	2.2
333.20435	2.0
336.26297	1.0
439.19501	1.3
453.20837	1.7
527.37372	1.5
551.28314	10.8
588.22705	1.2
699.46143	1.6
726.29401	1.1
763.41913	1.4
861.49628	100.0
862.49585	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	859.4805
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02661	0.7
61.02918	3.5
65.03954	0.7
66.08186	0.4
67.05505	5.1
69.03429	2.2
69.07063	3.6
71.04993	0.8
73.02927	2.4
78.37627	0.5
79.05492	4.1
81.03418	2.1
81.07058	4.9
83.04998	1.0
83.08620	1.1
85.02887	3.3
91.03979	1.3
91.05492	2.7
93.07048	3.3
95.04976	1.8
95.08595	2.3
97.02889	4.1
97.10195	1.3
99.04454	0.5
100.47414	0.4
101.02405	1.3
103.03970	0.4
105.07039	2.2
107.04980	0.5
107.08625	1.8
109.02876	0.5
109.06544	0.6
109.10161	1.2
117.07030	0.4
119.08619	1.7
121.10162	1.2
125.09633	1.4
127.03945	0.9
128.52238	0.5
129.06992	0.5
131.08598	1.2
133.10147	1.2
135.11688	0.8
136.10204	0.5
145.10159	0.7
163.11234	0.5
185.04269	0.7
223.13409	1.1
243.08406	3.1
291.19617	1.3
301.08932	0.6
331.19022	1.0
333.20511	1.4
422.84509	0.5
439.19409	0.6
450.12488	0.5
549.26672	5.8
551.28351	7.6
841.46539	0.6
859.48059	100.0
860.48364	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	859.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	7.6
67.05511	3.4
69.03435	5.4
69.07113	0.8
71.01347	0.7
71.05000	1.7
71.59639	0.9
73.02920	6.9
79.05489	3.5
81.03410	6.6
81.07082	3.6
83.05002	1.4
83.08624	1.8
85.02906	13.8
86.09696	0.9
91.03955	4.8
91.05464	4.8
93.07074	1.9
95.04968	5.7
95.08615	1.7
97.02895	8.9
97.06552	1.1
98.31699	0.8
99.04471	1.2
101.02389	2.0
105.07042	2.6
107.04968	1.3
107.08608	1.6
109.02893	1.5
109.06573	0.8
109.10161	0.9
113.06005	7.1
116.00606	0.8
117.07043	0.8
119.04953	0.9
119.08615	2.4
127.03939	3.4
129.06992	1.3
131.04924	0.8
131.08594	2.2
133.10182	1.4
145.02910	0.8
145.04897	1.8
145.10126	0.9
147.11688	1.7
157.10164	1.9
160.73378	0.7
162.07730	1.1
163.03920	1.2
167.07063	1.6
177.05687	1.1
185.04306	0.9
193.12344	2.2
203.05338	1.0
211.13388	1.5
243.08475	2.9
251.12654	1.8
269.12570	0.9
285.09906	1.0
303.05167	1.3
332.20865	0.7
347.09711	2.0
355.22690	1.2
373.23837	3.0
374.24228	3.3
405.13617	5.3
469.20444	15.2
501.54080	0.7
518.31824	0.9
588.26288	0.9
631.25714	13.0
697.34637	1.9
859.39294	100.0
860.39099	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	859.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
63.38459	2.5
67.05485	5.5
69.03413	8.4
69.07046	2.8
70.07947	14.3
71.04984	22.0
77.32062	2.4
80.11008	2.5
81.07062	4.1
81.52316	2.9
83.04985	6.6
85.02906	27.1
91.05492	6.9
93.07027	6.2
95.04977	8.8
95.08590	3.2
96.22922	2.5
97.02905	4.1
105.07009	12.0
107.05045	3.4
107.08640	3.9
109.06521	8.9
109.10147	3.6
111.04438	12.3
119.08556	11.4
121.06498	5.7
123.08039	5.3
127.03915	3.9
129.05475	8.1
129.06993	3.7
131.08522	3.4
133.06470	3.2
133.10150	4.6
137.06058	4.8
143.08469	3.0
145.06425	3.8
145.10103	6.1
147.08055	6.5
153.01736	3.1
157.10100	7.0
158.07259	3.3
159.08011	4.3
159.11737	6.3
161.09634	14.9
163.07582	3.8
167.06976	4.3
173.09634	4.5
175.11246	2.9
177.05519	3.4
187.11243	4.3
189.09129	4.4
199.11154	4.6
201.12756	6.2
203.10663	8.8
205.12183	3.4
211.11121	3.6
229.12219	8.9
247.13287	61.9
265.14371	7.8
287.05502	100.0
388.85205	3.0
399.43359	3.0
409.18515	22.5
427.20123	3.7
444.13065	2.9
444.86670	3.0
847.14850	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	859.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
60.66579	0.3
61.29350	0.3
65.03919	1.1
67.05505	4.7
68.99747	0.4
69.03080	0.6
69.03429	9.3
69.07048	1.2
70.78072	0.3
70.82988	0.3
71.03403	1.0
71.04996	1.8
79.05487	4.2
81.03429	1.9
81.07047	4.1
82.79486	0.3
83.04979	5.8
83.48346	0.3
85.02901	2.7
91.05475	5.7
93.07043	9.9
95.04965	11.0
95.08601	3.3
97.02881	3.5
97.06518	2.0
97.16414	0.3
99.04434	0.9
103.05473	0.5
105.07027	12.4
107.04953	0.9
107.08586	5.0
109.02853	1.5
109.06509	13.3
109.07262	0.7
109.10157	2.8
111.04436	9.4
111.08087	1.9
113.05986	0.9
115.05475	0.9
116.06218	0.3
117.07021	2.5
119.04918	0.8
119.08574	11.6
121.02856	2.7
121.06498	7.3
121.10136	2.1
121.61648	0.3
123.04408	1.8
123.08060	4.3
125.05963	1.3
125.09588	0.6
127.03906	3.2
128.06223	2.0
129.05484	0.5
129.07013	2.0
130.07764	0.8
131.04907	0.7
131.08556	5.5
133.06511	2.3
133.10132	5.0
135.04385	0.8
135.08043	4.4
135.11652	0.4
137.02292	0.6
137.05969	1.4
137.09607	2.4
139.03925	0.7
139.07530	1.8
141.05493	0.5
141.06956	1.3
142.07777	2.1
143.08557	4.7
144.09338	1.4
145.06483	2.2
145.10126	8.2
146.07263	1.2
147.04391	0.8
147.08051	7.4
147.11691	2.5
148.08783	1.0
149.02341	0.5
149.05968	1.1
149.09647	1.7
151.03897	0.5
151.07529	1.6
153.01830	2.5
153.06958	0.9
153.09076	0.4
154.07762	0.4
155.08548	1.5
155.10664	2.6
156.09343	1.6
157.06517	0.6
157.10127	5.9
158.07300	1.8
159.08054	5.6
159.11690	6.0
160.08762	0.6
161.05977	1.2
161.09608	12.5
161.13254	0.6
163.03894	0.7
163.07523	2.0
163.11156	1.3
165.01802	1.2
165.09076	1.8
167.08577	0.6
168.09338	1.1
169.10110	1.2
170.07274	0.5
170.10930	0.7
171.08063	2.0
171.11656	1.9
172.08795	2.4
173.06001	0.8
173.09621	4.8
173.13243	4.0
174.06810	0.7
175.03876	0.4
175.07588	2.4
175.11188	5.9
177.05437	0.5
177.09082	0.7
177.12708	0.8
181.10123	0.5
183.02917	0.9
183.11688	2.7
184.08745	0.4
185.05945	0.6
185.09576	1.6
185.13223	2.0
186.10400	0.8
187.07545	1.0
187.11160	5.7
189.05449	0.9
189.09129	6.5
189.12770	1.0
191.07104	0.4
191.10724	0.4
191.14282	0.4
193.08592	0.9
193.10097	0.8
193.12379	0.3
195.07979	0.4
195.11664	0.4
196.08812	1.5
197.09596	0.4
199.11142	3.5
201.09167	0.6
201.12740	4.4
203.08839	0.7
203.10658	9.6
203.14113	0.4
205.12225	3.6
207.10040	2.0
207.13760	0.5
209.09688	0.5
211.11179	4.7
213.05493	0.6
213.09192	0.4
215.10654	0.4
217.12260	4.1
219.13783	4.0
223.11159	0.5
227.10571	0.4
229.12248	7.4
235.13303	1.3
239.10625	0.4
241.04797	0.4
247.13290	42.7
248.13644	1.5
249.19353	0.4
258.05139	0.7
259.05948	0.5
265.14337	9.3
269.11639	0.4
285.69632	0.4
287.05484	100.0
288.05859	2.1
313.13998	0.5
315.12268	0.4
315.15848	0.5
325.14404	0.6
329.06458	0.7
333.13361	3.2
343.15216	0.5
345.16779	0.4
355.15659	0.5
361.16550	0.5
373.16397	1.2
391.17514	2.9
409.18542	12.4
427.19647	4.3
431.09732	1.2
433.11319	6.7
443.22910	0.4
599.64557	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	5.7
65.03932	2.0
67.05498	18.0
69.03425	28.4
69.07069	1.1
71.04993	11.9
71.58545	1.3
73.02905	2.8
79.05491	2.4
81.03420	8.0
81.07046	1.7
83.04971	2.6
85.02904	79.3
85.06539	9.3
86.09746	1.1
87.04469	6.8
89.21213	1.2
91.03951	4.3
91.05484	2.0
93.07043	2.7
95.04963	48.4
95.08617	0.9
97.02282	1.8
97.02892	21.2
97.06516	4.7
99.04459	3.6
99.45525	0.9
103.03918	1.3
104.07504	0.8
105.07050	2.2
107.08604	2.0
109.02865	6.7
111.04441	3.7
113.05998	100.0
119.08629	1.2
127.03915	19.6
131.08614	1.6
133.10124	1.0
138.98853	1.0
145.04955	30.8
145.08585	19.6
147.11624	1.9
156.01009	1.0
159.11804	0.9
163.06018	12.1
164.35042	1.0
175.14767	1.7
179.07057	1.2
180.13524	1.0
189.07622	2.0
204.06816	1.1
239.09119	1.4
257.10110	5.5
275.11252	3.3
289.09137	1.6
321.03671	1.0
325.11273	6.7
355.22607	3.2
373.23721	35.8
374.24146	1.1
380.03741	1.3
463.62491	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	4.0
65.03934	1.4
65.77061	0.4
67.05503	14.2
68.16753	0.4
69.03429	19.6
69.07059	1.1
70.90940	1.0
71.04991	8.0
73.02911	1.3
73.06579	0.6
79.05494	2.2
81.03417	4.1
81.07072	3.0
83.04978	1.2
85.02904	46.3
85.06547	7.5
87.04469	3.7
91.03946	2.2
91.05486	1.6
93.07050	2.6
95.04967	34.4
95.08611	2.1
97.02891	14.0
97.06527	7.1
99.04473	2.4
101.02354	0.4
101.06023	0.7
103.03912	0.5
105.07035	3.1
107.08565	2.8
109.02873	4.2
109.06519	1.3
111.04429	1.0
111.08054	0.5
112.87383	0.5
113.06003	100.0
115.03934	0.5
117.07024	0.5
119.08569	2.0
121.10143	2.3
125.06002	4.8
127.02971	0.7
127.03910	12.0
127.07582	0.6
129.07066	0.5
131.08571	1.3
133.10132	1.6
135.11679	0.6
137.05981	1.0
139.03911	0.5
143.08557	0.8
145.04956	18.7
145.08598	17.3
145.10107	1.9
147.04416	0.4
147.11693	1.7
149.05905	0.5
149.13245	0.6
153.05461	5.3
155.07018	3.8
155.08333	0.6
157.10109	0.9
159.11705	3.4
161.13303	1.3
163.06012	9.2
163.07385	0.9
167.07126	0.6
169.10115	0.6
171.11613	0.5
173.13312	0.8
175.14790	2.1
177.09149	0.4
179.07072	0.9
181.08452	0.5
183.11688	0.8
185.13322	0.8
187.14867	0.5
189.07590	1.6
189.16422	1.2
195.11688	0.6
197.13182	0.9
199.14844	0.9
201.16351	3.8
203.10564	0.5
203.17928	0.6
209.08041	0.5
209.13242	0.8
211.09561	0.5
211.14807	0.5
215.18018	0.8
235.14857	0.9
239.09203	1.5
253.19592	0.7
255.13879	1.0
257.10223	3.9
275.11285	2.4
277.19376	0.9
289.09268	0.6
291.21057	0.8
295.20688	0.6
309.22061	0.6
319.20746	1.0
325.11252	4.9
337.21637	7.3
355.22687	16.6
356.22687	0.6
373.23730	67.8
374.24261	1.2
391.24274	0.5
414.26468	1.1
507.51645	0.5
517.31653	9.1
559.25702	0.5
585.08514	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05021	0.8
69.07065	2.4
70.02938	1.0
70.06593	100.0
71.38815	1.3
85.02919	1.8
86.09709	9.1
95.01335	1.5
101.03509	0.9
109.31622	0.6
125.07154	1.9
132.18085	0.7
136.21358	0.7
137.05988	1.0
139.03935	0.9
141.06613	4.2
141.10223	2.2
147.04472	1.3
153.01859	0.9
157.09758	2.5
164.91415	0.7
174.57338	0.7
179.08524	0.7
183.07932	0.8
183.14941	1.3
187.10875	1.3
191.08640	1.1
197.09329	0.9
205.06552	0.7
206.07401	1.0
207.08118	2.6
209.12743	1.1
215.08664	0.8
217.06743	0.6
218.07341	1.2
219.08150	3.8
221.06018	3.7
223.07674	1.9
229.15483	39.7
231.08130	2.1
233.09583	1.7
234.06841	1.7
235.07524	8.9
235.09425	0.8
237.05490	1.7
243.08055	1.5
245.06082	0.9
245.09692	1.9
246.06966	0.8
247.07579	8.4
248.95134	0.7
251.06923	0.7
255.08081	2.1
259.07648	2.9
260.07477	0.8
261.05603	2.2
261.09198	2.6
262.08649	1.2
263.07022	3.3
266.15033	3.6
271.07678	3.4
273.05661	0.7
273.09134	5.3
274.06232	1.2
275.07080	3.0
277.09036	0.7
278.08212	1.6
280.09717	2.1
285.05600	0.9
285.09195	1.4
286.06311	0.9
287.07056	3.6
288.07394	0.7
289.08679	2.6
290.08279	1.9
291.06631	2.1
293.08249	1.2
294.14456	4.7
298.06253	1.0
299.07193	1.0
301.08502	4.6
302.05670	1.0
303.06808	3.2
304.05984	1.0
304.09650	1.0
305.08038	4.0
306.07828	0.7
311.07065	1.7
315.06516	1.8
316.07108	1.7
317.08234	4.3
318.08319	0.8
319.09595	1.2
321.07742	1.5
326.08203	1.9
327.06332	5.7
328.09906	1.5
329.08035	6.7
331.06174	1.0
331.09787	1.8
333.07538	1.0
335.09192	6.3
342.07718	0.9
344.09189	6.3
345.07578	15.0
346.10898	2.7
347.09286	3.7
348.08838	2.6
356.09338	2.0
357.07590	6.9
359.09442	2.0
368.11478	1.5
372.08609	16.2
374.10324	3.5
375.08603	6.8
379.23492	3.2
380.11316	1.6
382.13007	0.7
390.09708	17.8
391.16669	2.2
392.11273	3.5
393.09766	1.9
398.12567	3.4
400.08353	1.6
402.09808	3.2
407.22943	1.3
408.10715	6.8
420.10803	12.7
421.11014	0.7
425.23688	1.1
438.11829	7.4
456.13052	2.6
457.17960	0.9
462.16379	1.6
485.17029	6.3
487.15347	2.3
505.15198	1.4
512.18195	1.2
513.16632	17.3
517.16022	1.6
528.17621	3.7
531.18170	1.2
535.17627	1.9
546.18085	1.1
548.20752	1.3
553.18121	3.6
558.18695	8.9
576.19769	21.0
577.20520	1.2
594.20734	1.6
612.22235	1.0
618.24249	2.8
630.23651	4.0
636.25983	1.9
643.24384	0.8
648.25677	2.9
666.26575	5.9
673.25049	2.0
684.27582	14.1
691.26306	0.9
786.33661	1.6
804.34210	2.8
822.35773	1.4
825.92047	0.9
826.80920	0.8
840.36664	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	856.5407
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	96.0
69.03429	15.1
69.07068	32.7
69.32147	22.1
69.32576	17.6
71.05001	7.7
71.08628	7.1
79.05499	76.6
81.03431	13.2
81.07062	100.0
82.07375	4.7
83.04984	17.4
83.08611	14.3
85.02920	4.3
85.06559	9.2
87.24340	3.8
87.96119	3.5
91.05486	79.6
93.07043	67.2
95.04972	16.7
95.08608	39.0
97.02900	7.4
97.06538	12.2
97.10156	5.6
105.07036	69.2
107.04973	9.5
107.08598	46.6
109.06541	8.8
109.10184	26.0
110.10490	4.4
111.08080	7.1
115.07670	3.9
117.07001	22.9
118.07406	3.7
119.08584	48.8
121.06514	10.2
121.10136	22.0
123.08078	6.8
123.11699	9.6
129.07007	7.5
131.08569	29.3
133.10141	48.8
134.10487	4.7
135.08047	6.2
135.11700	19.3
137.09607	5.9
143.08536	9.8
145.10117	24.4
147.11688	22.0
149.13219	9.3
151.11134	7.9
157.10124	13.9
159.11720	16.0
161.09613	6.1
161.13242	7.7
163.11244	8.2
169.10156	5.4
171.11739	10.6
173.13300	8.3
177.12840	5.1
195.13826	6.5
197.13234	4.5
223.65851	3.9
253.14330	8.8
254.14751	6.4
255.15810	8.8
257.19028	9.3
259.20499	12.4
269.17471	12.0
275.20123	14.7
291.19385	4.4
293.21158	19.3
333.24203	8.8
349.23666	12.1
367.24695	9.6
463.30765	4.5
527.37164	6.8
561.37463	9.2
856.44122	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	856.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	3.2
63.00577	2.1
65.03941	9.5
67.05508	100.0
69.03426	14.9
69.07066	51.9
71.05001	8.4
73.02906	3.2
79.05494	81.5
80.05869	2.8
81.03418	16.0
81.07056	98.3
82.07388	3.1
83.04979	17.6
83.08622	17.6
85.02915	8.0
85.06541	4.5
91.05478	84.6
93.07043	82.2
95.04971	21.5
95.08602	52.7
97.02908	4.4
97.06523	16.5
97.10181	10.2
98.21543	3.9
99.08053	5.2
103.05452	3.0
105.07029	73.6
105.07681	4.9
106.07384	2.8
107.04971	11.6
107.08605	47.5
109.06521	10.8
109.10155	26.8
111.08072	7.2
113.78671	2.7
115.05441	5.7
117.07010	28.2
119.04955	3.0
119.08579	53.7
121.06538	7.2
121.10146	23.6
123.08087	7.2
123.11687	5.9
125.09646	7.9
127.03915	5.7
128.06271	3.8
129.05515	3.2
129.07001	22.0
131.08563	41.3
133.10135	44.5
135.08076	8.3
135.11705	22.0
137.09613	5.0
139.07590	3.3
139.11147	3.0
141.06996	7.2
142.07819	3.3
143.08569	16.1
145.06528	3.1
145.10118	27.0
147.11690	25.4
149.09592	15.6
149.13313	12.4
151.11192	7.2
155.08595	8.9
157.10170	15.3
159.11687	22.4
161.09651	4.2
161.13220	12.6
163.11197	10.5
167.08583	5.5
169.10152	11.6
171.11690	15.2
173.04546	3.1
173.11832	5.7
173.13284	10.1
175.11147	3.6
175.14893	5.7
177.12793	7.4
179.14296	5.8
181.10181	5.4
183.11755	12.3
185.13275	10.7
187.11240	3.1
187.14784	4.9
195.11777	5.1
195.13756	4.9
197.13246	8.0
199.14862	4.6
209.13306	4.0
211.14894	3.0
213.16507	2.9
219.13786	3.2
221.13289	3.1
223.14857	4.1
227.12685	3.6
229.14308	2.7
229.19673	3.1
233.15416	2.8
239.18028	5.2
241.19478	6.2
247.20679	5.0
251.18082	3.4
253.14445	10.6
253.18117	3.2
254.14702	8.0
255.15607	5.9
257.19077	8.0
259.20578	15.8
269.17404	17.6
273.18381	3.6
275.20041	24.5
291.19434	4.9
293.21112	9.5
299.23859	2.5
312.29617	2.4
333.24237	15.8
349.23761	13.8
367.24704	3.4
383.85800	3.2
421.31406	3.2
435.32687	3.1
463.30634	3.8
484.99191	3.1
513.35822	16.2
527.37195	11.5
543.37085	4.1
561.36902	3.4
607.43506	11.4
625.44366	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	856.5409
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	100.0
69.07071	17.7
79.05476	39.4
81.03381	7.7
81.07051	42.7
83.04935	6.9
83.08617	10.9
85.02904	10.0
87.04436	6.0
91.05466	23.0
93.07033	40.7
95.08604	39.9
97.10146	14.1
98.21509	19.9
105.07004	12.8
107.08589	16.8
109.10152	71.7
119.08543	9.1
121.10122	21.5
123.11721	6.3
125.09637	9.9
133.10109	6.2
135.11635	10.0
150.91060	6.4
173.11818	12.7
173.13266	10.0
229.14339	51.7
229.77629	6.8
243.21219	6.2
261.22046	14.0
267.15817	6.7
301.16428	13.1
335.25766	70.4
361.67868	7.0
370.57492	6.2
399.23810	11.5
477.35715	7.1
489.35449	15.1
496.39877	8.8
659.44415	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	856.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
63.11210	4.8
65.03935	9.2
66.76141	4.8
67.05505	74.5
69.03436	8.2
69.07059	32.4
71.04964	8.7
71.58649	8.3
72.90740	5.1
75.99612	4.4
79.05057	7.2
79.05494	80.4
81.03410	9.1
81.07052	68.7
83.04967	11.4
83.08615	23.6
85.02904	9.2
89.07461	4.4
91.05481	96.3
93.07050	100.0
95.04968	23.7
95.08617	56.3
97.02896	5.7
97.06533	19.4
97.10174	14.2
99.08096	11.9
102.32733	5.2
105.07029	80.0
107.04948	5.7
107.08600	52.9
109.06509	16.3
109.10165	28.3
109.89738	4.3
111.08065	8.7
113.09634	4.9
117.07025	46.7
119.08578	65.7
121.06509	8.3
121.10133	23.1
123.11728	7.0
125.09641	10.3
128.06183	10.3
129.07004	31.4
130.07817	5.5
131.08563	57.2
133.10130	41.1
135.08034	12.6
135.11688	9.7
137.09630	9.1
141.06966	9.0
142.07806	11.5
143.08545	27.5
145.10112	62.5
147.11722	24.3
147.37581	5.1
149.09619	13.7
149.13263	8.6
155.08562	17.7
157.10120	29.5
159.11687	44.6
161.09674	8.5
161.13264	15.7
163.11157	8.6
169.10129	20.8
171.11664	22.8
173.13280	15.1
179.14313	5.1
181.10144	8.1
183.11679	13.4
184.07370	11.3
185.13271	31.9
187.14777	10.6
189.11189	9.0
189.12755	5.4
195.11655	9.6
197.13240	18.6
201.16429	8.2
203.14345	11.1
205.15858	5.8
209.13248	7.6
219.17368	8.0
221.13329	5.5
223.14732	7.9
227.12708	7.9
239.17982	12.8
255.17532	6.5
257.18930	19.0
273.18549	8.9
275.20084	56.5
287.03204	5.9
349.23737	44.0
351.25131	6.9
434.12988	5.3
531.38080	9.0
543.36810	14.4
551.37311	7.5
605.41443	6.4
623.43317	30.2
623.52246	4.7
641.43073	7.5
711.15027	6.0
757.46631	5.4
857.46716	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	856.541
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	2.1
65.03940	5.2
66.50011	1.8
67.05502	74.2
69.03429	10.1
69.07064	40.0
69.33415	22.2
71.04991	6.5
71.08630	2.6
73.02908	2.2
79.05492	62.4
81.03438	13.7
81.07053	100.0
83.04964	15.5
83.08624	19.9
85.02924	5.0
85.06532	5.0
86.09624	2.8
91.04908	2.4
91.05481	57.4
93.07040	68.7
95.04973	18.1
95.08605	42.5
97.02878	6.4
97.06531	21.5
97.10159	8.8
103.05479	3.4
105.07027	51.7
107.04945	10.4
107.08598	48.4
109.02804	2.4
109.06519	11.8
109.10146	16.0
111.04411	3.1
111.08064	7.9
113.05975	2.3
115.05441	3.7
117.07017	21.0
119.08584	37.2
121.06482	6.9
121.10153	22.8
123.08078	3.1
123.11697	5.5
125.09636	7.0
127.03918	5.5
128.06229	2.9
129.06993	7.1
130.07780	3.1
131.08560	32.2
133.10149	29.3
135.08067	5.4
135.11694	20.0
137.09573	5.0
141.06976	2.6
143.08562	7.3
145.10138	21.5
147.08035	2.5
147.11687	12.1
149.09601	19.2
149.13240	16.0
151.11189	3.0
155.08560	4.6
157.10109	8.9
159.11688	21.4
161.09648	3.1
161.13232	5.6
163.11197	13.3
165.12805	2.2
169.10086	4.0
171.11702	7.3
173.04382	2.6
173.09612	2.3
173.13277	7.4
177.12759	7.7
179.14194	4.7
182.11035	2.0
183.11665	6.0
183.48370	2.4
185.13199	3.3
187.14702	3.3
189.11084	2.4
191.14430	2.1
193.12213	3.3
195.11847	3.2
195.13792	13.7
197.13281	2.9
199.14763	3.4
201.16513	2.4
208.92738	2.0
227.12778	7.3
229.19559	3.8
239.17784	4.2
247.20555	4.1
253.14288	3.0
255.15941	16.4
257.18964	7.9
267.15805	5.1
269.17468	53.9
275.20056	37.6
291.19427	3.1
293.20721	2.7
331.22559	3.5
349.23700	44.0
367.24701	9.1
435.27383	5.0
449.29126	30.7
454.22403	2.4
463.30594	33.4
503.33249	2.9
525.35815	3.5
529.35278	8.2
543.36841	32.5
561.37665	3.9
571.16797	2.5
623.43079	4.7
641.43097	2.8
753.83020	2.6
765.79126	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	856.5407
Annotation	Unknow
Peak:m/z	Relative Intensity
60.63802	1.5
61.02909	4.5
65.03935	4.6
67.05505	86.5
69.03426	9.8
69.07067	46.0
69.67825	5.1
69.68255	9.4
71.04999	8.5
73.02911	2.4
79.05009	2.5
79.05490	78.1
81.03416	16.2
81.07053	100.0
83.04964	13.4
83.08621	22.9
85.02906	7.1
85.06545	5.4
91.05477	60.4
93.07043	69.5
95.04961	19.1
95.08609	39.8
97.02905	6.2
97.06518	20.5
97.10153	10.3
99.04487	2.8
99.08104	3.4
103.05499	2.5
105.07032	51.7
106.06332	1.8
107.04967	13.2
107.08591	48.8
109.02872	2.4
109.06531	10.3
109.10143	17.1
111.04427	2.4
111.08082	7.1
113.09651	3.3
115.05508	2.2
116.06215	2.4
117.07026	25.9
119.08578	32.7
121.06476	9.7
121.10145	21.9
123.04428	1.9
123.08070	7.0
123.11702	4.9
125.09612	9.9
127.03918	4.2
128.06256	4.0
129.05496	2.6
129.06993	13.0
130.07761	2.4
131.08572	30.1
133.06514	2.3
133.10139	29.2
133.11102	3.2
135.08043	6.5
135.11685	17.7
137.09633	5.0
141.06979	5.4
142.07730	2.5
143.08568	7.6
145.06505	2.4
145.10103	24.1
147.11703	13.9
149.09627	18.8
149.13242	15.2
151.11205	4.8
154.07869	2.2
155.08617	4.1
157.10115	9.6
159.07979	2.4
159.11682	18.8
161.09608	4.0
161.13292	8.0
163.11197	11.2
165.09248	2.2
166.07489	1.9
167.08511	2.9
169.10120	5.2
171.11720	5.7
173.09615	3.3
173.13252	7.1
175.11176	3.2
177.12764	5.6
179.14212	4.4
181.10094	3.5
181.12216	3.3
183.11719	6.2
185.13295	3.4
187.14870	3.6
189.11246	4.4
189.12796	3.0
189.41676	2.0
195.11938	2.8
195.13853	8.9
197.13293	3.7
199.14778	1.9
201.16182	2.0
211.14929	2.0
211.21568	2.1
227.12737	10.5
229.19505	2.5
239.17926	2.8
247.20529	4.0
255.15771	14.1
257.18939	13.1
261.30951	1.7
267.15964	3.9
269.17459	39.0
275.20081	40.8
293.21152	5.0
326.34103	2.4
331.22681	3.7
349.23788	33.2
367.24509	4.4
435.26993	4.0
449.28891	16.9
451.32135	3.1
463.30450	22.2
529.35400	7.1
543.36841	32.3
561.37946	6.1
623.43097	5.8
844.30450	2.0
857.46143	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	856.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
61.99867	2.4
65.03938	3.7
67.05503	78.4
69.03409	10.7
69.07063	26.6
71.04966	6.0
71.47713	2.2
73.65786	2.3
79.05489	58.2
81.03424	14.2
81.07050	100.0
83.04973	13.0
83.08615	15.5
85.02906	7.0
85.06514	5.7
91.05478	55.3
93.07039	67.7
95.04957	19.3
95.08598	41.1
97.02881	6.4
97.06536	18.5
97.10160	7.6
99.08085	6.3
103.05471	2.4
105.07020	43.3
107.04961	7.9
107.08593	37.8
109.06507	9.1
109.10151	16.0
111.08086	8.7
115.05486	2.9
117.07025	21.1
119.04915	2.8
119.08569	29.0
121.06509	8.2
121.10154	20.8
123.08082	5.3
123.11706	6.4
125.09628	3.3
128.06218	3.0
129.06999	8.1
131.08563	22.7
133.10121	27.3
133.59895	2.2
135.08070	5.6
135.11696	19.1
137.09584	4.3
141.07018	3.7
143.08540	6.4
145.10107	18.7
147.11681	11.9
149.09644	14.5
149.13257	17.9
151.11115	4.0
155.08499	3.7
157.10107	7.7
159.11670	18.0
161.13271	6.3
163.11179	9.6
165.12709	3.3
169.10144	4.1
171.11726	4.8
173.13255	8.4
175.11189	3.9
177.12753	5.5
183.11664	3.9
184.07323	3.3
185.13251	2.9
189.11212	2.8
195.12056	3.8
195.13716	15.6
197.13252	3.1
213.14906	2.3
227.12708	4.5
239.18185	3.1
247.20543	2.7
255.15860	13.8
257.18997	8.1
267.15872	4.1
269.17456	55.5
275.20050	35.0
291.19254	3.6
292.19958	3.3
309.20746	3.1
349.23752	26.0
367.24829	6.2
368.97778	2.5
449.28900	28.9
463.30518	44.2
505.38834	3.9
525.35681	5.6
529.35101	6.2
543.36926	22.9
561.37622	6.8
566.49231	2.9
600.82312	2.6
623.43207	3.3
626.09900	2.4
641.43384	2.9
857.46216	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	856.541
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	3.2
65.03934	7.0
67.05505	85.5
69.03429	9.3
69.06718	3.7
69.07069	44.6
69.35224	13.8
69.35641	5.6
71.05009	6.0
73.02918	2.2
77.03896	1.8
79.05489	82.5
81.03419	16.3
81.07057	100.0
83.04990	16.5
83.08614	22.5
85.02908	6.4
85.06549	5.5
91.05484	74.3
93.07042	77.1
95.04971	22.5
95.08045	4.1
95.08608	45.1
97.02885	7.8
97.06534	20.4
97.10158	17.0
98.20761	4.5
99.04442	3.7
99.08096	4.1
103.05483	4.2
105.07031	58.6
107.04963	14.1
107.08601	53.2
109.06497	9.8
109.10148	20.2
111.04429	2.3
111.08090	7.3
115.05450	4.4
117.07022	27.3
119.08579	43.6
121.05723	2.0
121.06467	10.7
121.10153	24.4
123.04417	2.3
123.08083	7.9
123.11720	4.9
125.09640	16.0
125.25333	2.5
127.03895	4.6
128.06242	4.2
129.06999	12.8
131.08566	36.5
133.06441	5.4
133.10139	46.2
135.08051	5.2
135.11720	23.7
137.09601	2.8
139.11176	3.2
141.06990	5.0
142.07823	3.2
143.08560	16.5
145.06520	3.9
145.10129	29.7
145.11168	3.4
147.08064	4.9
147.11688	25.9
149.09605	20.4
149.13266	15.4
151.11208	5.8
154.92885	2.1
155.08588	8.0
157.10152	11.7
159.11691	25.0
161.09685	2.9
161.13251	7.9
163.11150	13.1
165.12762	2.9
167.08527	3.3
169.10127	8.4
171.10313	2.2
171.11711	10.2
173.04492	2.9
173.09615	2.2
173.13258	11.7
175.11201	2.4
175.14816	2.0
177.12770	8.5
179.14322	4.4
181.10124	2.7
183.11742	7.2
185.13280	7.9
187.11324	2.8
187.14873	4.3
189.11209	10.3
189.12723	3.0
195.11797	2.9
195.13832	6.3
197.13335	6.1
199.14807	4.8
203.14383	3.1
209.13313	3.6
211.14890	4.1
217.15923	2.3
221.13483	2.5
221.15533	2.5
223.15172	2.6
227.12769	21.5
229.14270	5.1
229.19518	4.6
239.17955	4.9
247.20457	4.3
253.17909	2.9
255.15698	14.5
257.19070	17.0
259.20718	2.6
267.15915	3.6
269.17477	40.7
273.18594	3.2
275.20059	67.4
281.40976	2.0
291.19519	2.8
293.21130	5.8
331.22589	6.7
349.23764	49.2
357.29282	2.1
367.24835	6.8
445.29904	2.6
449.28836	12.5
463.30475	11.0
491.27060	2.2
503.33716	3.4
511.34677	2.9
519.33105	2.2
525.35211	4.1
527.37183	3.3
529.35132	7.2
543.36841	28.7
561.37555	3.4
623.42944	8.3
641.43848	3.9
816.33472	2.3
857.46277	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	83.7
65.69659	2.2
67.05502	65.1
69.03431	10.9
69.07066	9.5
69.66087	17.5
71.04983	4.1
73.02915	28.1
79.05487	39.6
81.03425	5.6
81.07056	72.4
83.08613	5.9
85.02899	100.0
85.06543	3.0
87.40767	2.0
91.03949	80.6
91.05475	23.8
93.07039	53.0
95.04943	3.2
95.07993	2.5
95.08604	50.4
97.02885	50.1
97.10167	2.0
99.04454	5.3
103.03936	4.5
105.07013	14.6
107.08586	31.6
109.02900	2.4
109.10143	28.8
115.03944	5.4
117.07034	6.1
119.08583	12.9
121.10144	29.1
123.11684	16.3
127.03918	38.2
131.08553	20.3
133.10138	11.6
135.11713	20.4
137.13232	9.0
139.11220	2.9
145.04950	43.5
145.10098	16.0
147.11684	6.5
149.13232	17.2
151.14833	3.4
159.11674	11.2
161.13286	9.5
163.06017	81.6
163.14763	14.2
165.12785	3.5
173.13284	12.6
175.14799	3.5
177.16356	6.1
187.14819	7.7
204.08719	3.8
233.22658	3.6
243.21080	27.8
244.73186	2.7
261.22125	82.9
263.23755	2.6
267.19046	2.1
279.23282	5.1
317.24707	2.2
325.11285	3.1
335.25769	38.3
353.26828	62.4
443.66083	2.5
497.30975	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	854.5253
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	10.3
65.03932	5.6
67.05502	100.0
69.03421	17.0
69.07071	40.0
71.04984	8.6
73.02912	5.0
73.29863	4.2
79.05492	67.1
81.03408	18.1
81.07057	92.7
83.04990	16.9
83.08608	22.9
85.02901	11.3
85.06537	6.6
88.38842	3.7
90.79852	3.9
91.04961	6.5
91.05476	70.4
93.07040	73.0
95.04978	21.8
95.08613	43.9
97.02887	16.4
97.06519	14.1
97.10173	12.5
99.67319	4.2
105.07023	61.0
107.04940	14.2
107.08578	46.9
109.06500	8.6
109.10163	41.7
117.07015	25.0
119.04975	5.9
119.08570	36.6
121.06506	20.9
121.10135	14.8
123.08071	5.7
123.11701	7.5
125.09673	8.7
127.03914	6.4
129.07013	10.1
131.08588	26.1
133.06477	6.7
133.10139	46.7
135.08067	10.7
135.11688	11.8
137.09593	4.5
143.08574	8.1
145.10150	22.4
147.08023	7.8
147.11684	13.8
149.09596	14.9
149.13297	5.8
151.11166	11.1
157.10158	7.2
159.11661	13.7
161.09647	6.6
163.11205	6.8
169.10139	4.0
171.11761	5.7
177.12616	5.0
189.11165	4.9
195.13776	8.5
223.13301	8.9
226.09636	4.4
227.12813	7.8
229.31174	4.4
253.14374	31.4
269.17511	18.7
273.18521	23.1
275.19980	20.9
291.19553	72.6
349.23721	12.4
365.23312	35.3
444.05835	4.0
465.28391	6.8
511.01282	4.1
541.34961	5.9
545.34436	10.9
559.36237	50.0
560.36206	6.1
639.42285	14.1
670.96857	4.3
854.45996	72.5
855.45306	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	854.5254
Annotation	Unknow
Peak:m/z	Relative Intensity
60.35923	1.8
65.03947	6.0
67.05505	88.2
69.03419	9.2
69.07066	31.2
71.05008	9.4
79.05491	63.2
81.03430	13.4
81.07056	96.7
83.04977	18.0
83.08604	11.1
85.02913	5.7
85.06551	8.5
88.80437	1.8
91.05479	77.8
93.07043	59.2
95.04966	22.9
95.08600	35.6
97.02906	3.3
97.06529	16.8
97.10158	3.7
98.82539	1.8
99.04504	2.6
99.08118	2.1
101.70385	2.0
103.05486	4.1
105.07027	77.0
106.62945	1.8
107.04952	15.4
107.08594	50.3
109.02863	1.7
109.06519	13.9
109.10151	50.2
110.10529	2.1
111.04403	2.1
111.08092	6.8
111.98449	2.1
113.06101	2.2
113.54054	1.7
115.05491	3.6
117.07010	21.5
119.08587	30.1
121.06509	14.2
121.10150	18.8
123.08093	7.1
123.11714	12.1
125.09625	3.8
127.07552	3.8
129.05441	2.2
129.07008	6.2
130.07739	2.2
131.08549	27.3
133.06526	5.1
133.10120	82.2
134.10484	2.2
135.08067	10.8
135.11673	16.8
137.09666	5.1
141.07037	2.9
143.08574	8.5
145.06465	2.9
145.10126	19.8
147.08083	5.8
147.11685	12.1
149.09631	18.6
149.13281	6.5
151.11176	34.7
155.08563	4.0
157.10152	5.8
159.11662	14.4
161.09634	5.9
161.13271	6.9
163.11209	7.8
169.10103	3.9
169.12256	7.6
171.11748	4.9
173.09711	2.5
173.11812	2.2
173.13289	5.0
175.11241	3.4
177.09148	3.8
177.12801	4.3
179.10655	3.6
179.14299	3.7
183.11755	2.4
185.13153	2.7
187.14839	2.3
189.12756	2.0
195.13846	7.2
215.12839	5.9
239.17896	2.3
245.18977	5.3
251.12688	2.6
253.14345	100.0
254.14919	2.4
255.15678	2.7
255.17821	2.8
257.19055	7.6
263.20102	5.5
269.17441	15.9
273.18518	25.0
275.20044	27.3
291.19568	21.5
291.22607	3.0
292.19794	2.1
293.21158	3.5
331.22891	2.2
347.22171	10.1
349.23676	17.9
365.23260	25.6
367.24680	3.1
447.27591	5.9
451.26892	2.7
463.26901	2.2
465.28381	12.6
541.35333	5.6
545.34784	16.0
559.36267	38.1
582.71674	2.3
639.42230	8.6
657.43231	2.3
719.34814	2.1
769.36652	2.0
776.86804	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
63.34053	1.3
65.03935	2.5
67.05504	48.4
69.03431	12.4
69.07065	41.8
69.50534	5.1
69.50962	6.9
71.04995	3.8
74.08982	1.4
79.05492	43.4
81.03410	12.8
81.07053	48.7
83.04972	9.7
83.08614	15.0
85.02897	3.8
85.06541	2.1
91.05480	38.2
93.07037	42.3
95.04968	13.2
95.08607	21.2
97.02869	9.7
97.06534	12.0
97.10169	15.4
98.21541	2.5
99.08105	1.7
100.44353	1.5
103.05460	2.3
104.38168	1.2
105.07036	29.1
107.04947	12.4
107.08585	31.8
109.02891	2.1
109.06516	4.7
109.10154	15.3
111.04453	1.6
111.08083	5.5
115.05463	1.5
117.07030	12.2
119.04887	1.7
119.08579	22.4
119.20376	1.4
121.06496	12.7
121.10142	10.9
123.04478	2.3
123.08079	5.6
123.11726	3.3
125.09608	11.7
127.03940	1.9
128.06175	1.5
129.07010	8.1
131.04880	2.0
131.08572	17.3
133.06519	4.3
133.10132	19.3
135.08066	6.3
135.11673	10.4
137.09612	4.1
141.07040	2.5
143.08560	5.6
145.06474	2.6
145.10146	12.2
147.08070	6.8
147.11685	8.8
149.09625	8.8
149.13254	6.5
151.11205	2.6
155.08566	2.5
157.10112	5.2
159.08054	1.9
159.11691	10.3
161.09633	3.9
161.13234	3.0
162.10510	1.3
163.11180	7.4
165.09186	2.4
169.10100	2.9
171.11710	3.8
173.13261	3.7
175.11192	3.2
177.12706	2.6
179.14349	2.7
183.11635	2.2
189.11247	6.4
189.12704	1.5
195.13806	4.2
199.14865	1.9
205.12250	2.6
211.13347	1.7
213.16434	1.6
222.83574	1.4
223.13319	17.5
223.15398	2.0
227.12762	11.4
239.17992	2.1
245.19209	1.6
249.14876	3.7
249.46118	1.5
253.14363	5.0
255.15910	5.7
257.19049	4.7
267.15878	1.9
269.17450	17.4
273.18466	16.3
275.20053	17.3
291.19534	100.0
292.19876	4.8
293.21149	1.7
309.20831	1.5
331.22610	1.6
347.22223	1.7
349.23700	15.0
365.23218	37.7
366.23785	1.7
395.01056	1.5
438.17484	1.5
461.28836	1.8
515.45374	1.5
526.61176	1.7
541.35339	3.1
545.34619	12.2
559.27441	2.4
559.36200	44.1
560.36523	2.5
639.42542	15.9
657.43250	2.0
836.50409	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	854.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	9.6
65.03934	2.9
67.05505	57.8
68.60573	0.7
69.03426	3.0
69.07066	12.9
71.04996	11.7
73.02921	3.9
75.91104	0.8
79.05491	25.1
79.73058	0.8
81.03428	5.9
81.07059	74.6
83.04977	5.6
83.08616	13.4
85.02902	11.6
85.06545	6.5
87.04460	1.1
91.03955	4.1
91.05484	19.9
93.07045	34.6
95.04978	6.0
95.08613	15.7
95.92233	0.8
97.02898	6.8
97.06527	8.8
97.10170	5.0
98.20783	1.4
99.04452	1.4
99.08093	2.4
105.07025	9.6
107.04977	1.3
107.08593	19.7
109.02876	0.7
109.06532	1.7
109.10152	15.5
111.04468	1.0
111.08080	5.7
117.07011	7.2
119.08602	3.6
121.06519	1.7
121.10155	10.7
123.08038	0.8
123.11687	5.1
125.09641	3.0
127.03913	2.8
129.05487	1.2
129.06970	1.0
131.08574	7.1
133.10130	12.6
135.08084	1.2
135.11726	5.3
139.11139	1.3
143.10637	0.8
145.04974	2.9
145.10141	0.8
147.11710	2.9
149.09671	1.2
149.13263	16.2
151.11162	3.8
153.12878	0.7
155.10693	1.1
157.10071	0.9
159.11670	8.4
163.06027	2.7
163.11191	2.5
165.12852	1.0
173.11751	4.6
173.13074	0.7
177.12801	4.5
183.13791	1.2
185.62518	0.7
187.13289	2.1
191.10730	1.1
193.12326	1.2
195.13750	7.1
199.13293	1.7
209.11682	1.5
211.13269	1.1
213.14842	1.7
227.12807	1.7
229.14360	15.8
239.16406	1.2
251.16478	1.3
267.15887	3.2
269.17474	26.8
283.15533	1.7
292.09094	0.8
301.16458	4.4
301.20264	3.5
359.61655	0.8
411.27618	1.4
423.27356	12.4
437.28992	27.0
438.29074	1.0
445.29654	0.9
451.30392	4.6
463.30548	100.0
464.31018	2.2
477.28387	0.9
483.52011	0.7
495.34363	20.0
513.30396	5.0
607.34625	0.9
639.37317	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	8.3
65.03949	3.8
67.05502	29.8
69.03420	8.3
69.07056	11.3
69.55313	13.6
69.55735	9.1
71.04987	5.2
73.02901	3.0
79.05493	29.7
81.03423	76.3
81.03905	3.7
81.07066	34.3
83.04982	16.7
83.08623	22.2
85.02911	41.6
85.06519	2.8
85.23492	2.8
91.03961	6.9
91.05486	48.0
93.07034	22.8
95.04976	38.6
95.08620	13.1
97.02888	11.3
97.06537	3.0
97.10184	5.8
104.09505	2.9
105.07039	28.9
107.04952	14.3
107.08598	11.4
109.06516	10.2
109.10206	6.2
111.04423	5.1
111.08080	9.8
115.05429	3.7
117.06998	3.3
119.04957	4.1
119.08586	22.7
121.06564	6.6
121.10143	15.3
123.08149	3.0
127.03909	6.2
129.07007	17.3
131.08545	12.9
133.10144	14.2
145.10086	4.2
147.11676	20.9
149.09601	10.3
157.10126	21.4
167.07034	15.4
175.11220	18.7
177.05333	4.2
181.04965	5.6
193.12222	54.3
211.13293	78.9
265.39029	2.9
267.15915	45.4
285.16998	85.4
318.36066	3.5
367.22818	4.4
385.23816	5.7
413.95200	3.6
417.15302	3.9
459.27484	50.4
477.28610	49.0
495.29541	100.0
546.69604	3.7
558.71893	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	854.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	16.9
65.03918	3.6
67.05505	100.0
69.03435	7.2
69.07070	19.8
70.88142	3.7
71.01350	1.6
71.04988	5.8
73.02921	8.4
74.38673	1.2
76.51010	1.0
79.05494	45.0
81.03417	16.0
81.07058	79.8
83.04975	9.4
83.08141	1.7
83.08618	22.1
85.02427	1.9
85.02906	30.2
85.06532	6.5
87.04467	5.4
88.79298	1.1
91.03962	13.1
91.05477	31.8
93.07047	43.8
95.04964	11.6
95.08611	21.5
97.02891	14.8
97.06537	11.1
97.10168	14.9
99.04459	2.4
103.03920	1.5
105.07027	13.9
107.04956	4.4
107.08598	31.9
109.02905	1.6
109.06528	4.4
109.10158	57.7
111.04441	2.7
111.08068	6.0
113.05998	1.1
115.03938	1.3
115.05487	1.1
116.04737	1.8
117.07008	8.6
119.08563	8.8
121.06467	3.7
121.10148	14.8
123.04427	1.1
123.08052	3.6
123.11694	3.3
125.09624	13.7
127.03899	6.1
129.05490	5.5
129.06995	2.9
131.08568	10.5
133.10138	13.1
135.08017	2.4
135.11697	10.4
137.09624	4.0
143.07089	1.7
143.10660	3.7
145.04979	5.5
145.10123	6.4
146.29613	1.1
147.07993	1.8
147.11707	6.9
149.09555	1.9
149.13263	15.8
153.09135	1.1
153.12790	2.6
155.10686	2.5
157.10152	2.7
159.11697	7.9
163.06020	6.5
163.11163	9.7
165.12727	3.7
167.14433	1.4
173.09631	1.5
173.10104	1.5
173.11716	17.5
175.11143	2.2
177.12738	3.9
181.12212	3.7
185.25174	1.1
189.11172	2.0
191.10643	3.6
193.05045	1.2
193.12251	6.9
195.13794	15.4
199.13255	7.3
209.11732	7.6
211.13289	4.5
213.14836	3.7
227.12805	9.5
229.14351	53.6
239.16469	5.4
257.13712	1.7
265.14404	1.4
267.15869	13.5
269.17474	64.8
283.15314	7.4
285.16843	1.6
296.83981	1.3
297.16922	2.5
301.16473	19.0
313.16373	2.2
323.18567	2.5
357.24258	1.8
393.26450	1.9
411.27490	6.0
414.58859	1.1
422.26932	1.3
423.27399	43.7
431.27805	3.1
449.29092	2.4
456.82019	1.2
459.27359	1.4
477.28452	4.3
495.29538	94.8
496.29517	2.0
509.09393	1.2
513.30579	31.6
525.33026	1.1
551.77301	1.4
743.14624	1.1
743.42596	1.3
815.28400	1.5
854.21436	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.58444	1.5
61.02925	16.4
65.03940	2.3
67.05508	100.0
69.03427	6.5
69.07075	16.1
69.47423	6.2
69.47848	7.8
71.04989	6.8
73.02929	7.7
73.74646	1.6
79.05494	46.7
81.03423	12.4
81.07059	71.4
83.04976	11.2
83.08620	20.0
85.02904	25.8
85.06512	3.9
87.04465	2.5
91.03966	11.0
91.05480	29.2
93.07042	45.0
95.04968	6.4
95.08624	20.2
97.02890	15.8
97.06548	9.5
97.10180	9.6
98.20757	3.3
99.04387	2.1
99.08100	2.8
102.13642	1.6
105.07034	10.8
107.04954	5.3
107.08595	30.4
109.06539	3.2
109.10159	49.6
111.04443	2.4
111.08105	5.8
117.07017	7.4
119.08556	10.9
121.06479	3.5
121.10150	12.1
123.08062	2.4
123.11700	5.0
125.09636	13.1
127.03918	4.8
129.05475	4.7
129.07008	3.3
131.08566	8.6
133.10139	13.1
135.08105	2.2
135.11710	10.2
137.09592	2.9
139.03883	1.8
143.10675	2.1
145.04973	5.0
145.10149	4.4
147.08163	2.0
147.11684	6.5
149.09610	3.4
149.13248	14.0
153.12753	2.5
155.10654	3.1
157.10138	2.0
159.11708	9.7
159.83603	1.5
163.06070	6.2
163.11186	6.9
165.12698	2.5
171.06526	1.9
173.09525	1.9
173.11736	12.6
175.11148	2.4
177.12761	3.5
181.12288	3.5
191.10736	3.3
193.12250	3.4
195.13785	16.7
199.13358	3.6
209.11760	6.8
211.13434	2.1
213.14920	2.4
227.12772	6.2
229.14366	40.6
230.57455	1.5
239.16377	3.1
257.13831	7.3
265.14282	1.8
267.15863	8.3
269.17480	67.8
283.15378	5.7
301.16522	13.9
393.26077	2.8
411.27429	6.0
423.27411	47.3
463.30908	2.3
471.41196	1.8
477.28143	3.9
495.29465	82.9
496.30081	3.2
513.23444	2.4
513.30597	23.1
854.21204	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	852.5102
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05183	1.9
67.05505	19.3
69.03423	8.6
69.07065	23.2
79.05492	18.8
81.03411	8.7
81.07048	19.1
83.04968	4.5
83.08607	7.1
85.02910	2.4
91.05474	16.9
92.69881	1.1
93.07043	13.1
95.04968	7.5
95.08607	8.9
97.02882	9.8
97.06519	2.9
97.10162	12.3
99.08115	1.4
105.07034	13.4
107.04953	7.5
107.08590	12.5
109.06541	2.1
109.10167	8.8
111.04433	1.2
111.08069	1.8
117.06995	5.8
119.04998	1.5
119.08591	10.9
121.06521	3.8
121.10128	4.7
123.08091	2.0
125.09599	7.7
129.06998	4.1
131.08559	7.9
133.06496	2.8
133.10124	4.7
134.07216	1.6
135.08018	3.1
135.11707	2.4
136.46800	1.2
141.62346	1.2
143.08571	3.6
145.10135	5.0
146.08162	1.4
147.08008	6.6
147.11682	3.1
149.13316	2.1
157.10106	2.5
159.11710	2.2
161.09642	1.9
171.11629	2.4
175.11243	2.3
177.12701	1.8
189.11194	2.9
193.12135	2.9
211.13333	3.2
212.58623	1.3
223.13300	14.9
227.12767	5.3
245.18950	2.1
249.14905	3.8
263.19885	1.4
267.15942	1.4
273.18454	16.2
291.19534	100.0
292.19812	1.7
347.22177	4.8
365.23215	47.2
432.02914	1.3
457.84912	1.5
484.83142	1.3
521.97833	1.3
557.34674	1.4
575.35443	2.5
637.40417	1.9
655.42035	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	5.6
67.05513	13.0
67.05812	2.2
69.03427	4.4
69.07072	4.5
71.58752	1.9
73.02903	5.8
73.64841	1.9
79.05500	7.6
80.41725	2.1
81.03424	5.3
81.07047	8.1
81.91523	1.8
83.04960	1.9
83.08624	3.0
85.02889	9.5
86.70801	1.7
91.03947	5.2
91.05462	6.1
93.07049	7.3
95.08603	6.6
97.02893	8.0
97.06538	2.9
99.04436	2.2
105.07042	3.9
107.08574	5.9
109.10165	7.6
113.24608	2.2
115.71539	1.8
119.08597	3.5
121.10143	2.4
125.09625	2.2
127.03899	4.5
127.16648	2.0
128.42845	2.0
133.10124	2.3
147.11700	2.6
149.09662	2.5
171.28705	2.2
224.48654	1.9
227.12665	1.9
229.14265	2.8
243.55826	1.8
261.89578	2.2
275.20029	3.1
291.19769	2.6
349.24103	2.0
405.13992	4.6
413.18057	5.2
519.29187	4.6
575.23083	3.1
606.45630	1.9
681.34259	9.8
821.95569	2.5
853.45459	100.0
854.45490	4.4
875.06445	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57025	0.7
84.46922	0.5
91.05460	0.7
97.76100	0.5
115.05457	1.1
117.05762	1.2
117.07019	1.6
118.06535	20.5
130.06537	2.1
132.08083	6.0
142.06514	2.4
143.07277	2.4
144.04469	0.6
144.08081	13.1
144.09215	0.7
146.06004	71.6
147.06396	1.1
153.01787	2.8
159.09180	6.1
160.07611	1.3
170.06007	5.9
171.03091	0.7
188.07062	100.0
189.07385	1.6
205.09724	37.8
310.11478	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	45.8
69.03429	7.9
69.07069	24.9
78.53716	2.8
78.60785	2.9
79.05498	30.3
79.18934	2.3
81.03413	7.4
81.07053	42.6
83.04973	6.4
83.08607	8.7
85.06571	3.3
91.05479	41.9
93.07059	26.7
95.04958	12.2
95.08602	20.1
97.02891	6.8
97.06532	3.4
97.10167	12.0
105.07029	28.2
106.40729	2.9
107.04942	10.8
107.08602	16.5
109.06522	4.6
109.10159	30.1
111.04478	3.0
112.76781	3.4
113.05978	3.8
117.07017	8.0
119.08601	12.1
121.06487	5.0
121.10140	9.7
123.08014	5.5
123.11691	4.9
125.09621	5.0
128.06200	3.2
129.06990	7.5
131.08546	9.6
133.06465	3.8
133.10138	32.2
135.08044	6.8
135.11668	5.9
136.06195	26.8
145.10107	6.0
147.08043	6.2
147.11774	5.5
149.09610	5.3
149.13324	2.9
151.11171	13.4
157.10106	3.6
161.09569	4.1
161.13293	3.2
189.11192	4.7
223.13211	15.1
228.19267	2.7
249.14795	4.9
253.14343	62.2
273.18497	25.6
291.19513	100.0
347.22095	5.4
365.23267	32.1
460.99808	3.0
543.33405	3.8
561.34229	15.7
637.40759	6.2
653.94470	3.5
655.42200	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	850.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	1.0
61.02906	4.5
65.03934	2.1
67.05502	41.9
68.05830	1.3
69.03414	4.7
69.07063	10.0
71.04977	4.0
73.02898	1.7
73.06529	1.1
77.03889	1.8
79.05492	54.8
79.05963	2.6
81.03416	54.2
81.06586	2.2
81.07053	43.0
83.04977	15.8
83.08614	18.4
85.02428	1.4
85.02901	17.7
85.06527	1.9
91.03934	3.2
91.05474	52.9
93.07038	46.8
95.04967	30.6
95.08606	20.9
97.02871	5.0
97.06526	5.2
97.10149	4.2
98.20715	2.3
105.04552	1.3
105.07024	35.9
107.04971	8.5
107.08590	12.7
109.06518	7.6
109.10129	2.6
111.04424	1.4
111.08080	5.6
113.06039	2.0
115.05455	2.6
117.07009	6.6
119.08573	22.7
121.06496	2.4
121.10126	7.9
123.08043	4.9
123.11614	1.3
123.15780	1.3
124.52417	1.1
125.09639	1.1
127.03893	1.0
128.06201	1.8
129.06984	17.9
131.08566	9.3
133.06439	2.8
133.10126	15.4
135.11641	1.8
137.09599	2.1
139.03873	1.2
142.07776	1.5
143.08577	5.4
145.04947	1.5
145.10132	6.2
147.08003	3.4
147.11688	30.3
149.09616	4.0
151.11371	1.2
157.10107	8.5
159.11784	1.5
161.09593	2.4
161.13264	7.6
163.05960	1.4
165.12682	2.0
171.11665	14.0
173.13405	1.1
175.11195	9.5
189.12750	5.3
193.12239	22.3
207.13800	13.6
211.13280	29.4
225.14838	1.4
267.15897	30.2
281.17468	46.5
285.16946	28.0
473.28998	100.0
474.29272	3.3
491.30032	68.2
492.30118	2.3
635.33771	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04983	1.1
61.02934	10.2
65.03936	3.1
67.05505	78.9
68.79787	1.0
69.03425	2.3
69.07067	7.4
71.04987	3.8
71.32310	2.1
73.02896	2.6
79.05491	14.8
81.03445	2.2
81.07059	31.4
83.05024	1.0
83.08626	7.5
85.02914	10.7
85.06547	1.3
91.03959	8.0
91.05473	10.9
92.82220	1.1
93.07040	20.3
94.79977	0.9
95.04955	3.1
95.08605	21.8
97.02892	5.9
97.06532	1.3
97.10173	1.9
99.04444	1.3
105.07020	8.0
107.08585	12.4
109.02878	1.3
109.10157	66.1
111.08099	1.9
117.07024	2.6
119.08587	8.7
121.10135	10.0
123.11706	4.1
125.09607	2.4
127.03906	4.3
127.11105	1.0
131.08574	5.3
133.10147	4.2
135.11726	6.0
137.09618	3.5
145.04973	4.7
145.10135	4.5
147.11658	3.4
149.13260	5.2
155.10681	2.7
159.11676	4.4
161.13281	1.1
163.06035	3.8
163.14835	3.7
173.11768	23.0
173.13255	3.0
189.11252	1.5
210.70894	0.9
227.12682	6.0
229.14352	100.0
230.14690	1.5
243.21120	5.3
248.64925	1.0
261.22162	20.1
272.58426	1.0
294.88010	1.2
317.24759	3.1
335.25806	68.2
336.26129	2.4
397.30981	2.7
415.32013	1.9
471.34714	2.7
489.35757	45.6
490.35983	2.1
507.36615	5.5
663.69098	1.1
848.51715	7.8
882.25366	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	12.8
65.03932	3.0
67.05502	100.0
69.03392	3.1
69.07048	9.0
70.65147	5.3
70.65517	5.3
71.05006	4.3
73.02911	4.9
79.05489	23.2
80.21290	2.9
81.03397	2.5
81.07053	52.6
83.08609	7.1
85.02887	11.7
85.06512	4.9
91.03936	8.8
91.05472	14.7
93.07038	22.1
94.98457	2.1
95.04933	3.6
95.08602	31.0
97.02883	8.5
105.07013	8.8
107.08599	15.2
109.10147	84.0
111.08096	3.7
119.08550	12.4
121.10134	13.7
123.11695	4.2
127.03866	2.3
131.08545	8.2
133.10138	5.6
135.11693	8.1
135.14525	2.5
137.09596	3.7
145.04964	6.5
145.10062	4.6
147.11687	3.5
149.13257	4.3
155.10617	4.1
159.11673	5.8
161.13298	4.0
163.14705	3.8
173.11774	20.5
173.13142	5.9
189.11298	2.5
227.12802	3.8
229.14334	98.4
243.21107	8.4
261.22147	17.7
317.24759	4.4
335.25760	65.1
471.34238	3.6
489.35687	66.8
490.36234	2.8
507.36365	6.1
848.52393	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	846.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
59.53483	0.8
61.02922	2.1
65.03927	2.4
67.05503	23.8
69.03413	1.9
69.07065	6.3
71.04993	1.8
71.59103	1.3
73.06550	1.8
77.03929	1.3
79.05491	42.4
81.03419	4.8
81.07052	22.4
83.04986	6.8
83.08614	3.5
85.02911	2.8
85.06535	2.1
91.03973	1.4
91.05478	31.8
93.07041	38.1
95.04964	12.3
95.08600	14.1
97.02879	1.7
97.06522	3.5
97.10154	2.0
105.04517	1.4
105.07035	21.9
107.04958	3.5
107.08588	10.4
109.06557	4.3
109.10177	1.6
111.08095	0.9
115.05453	1.0
117.07014	7.2
119.08584	15.8
121.06536	2.3
121.10136	2.0
123.08085	3.9
127.07566	1.5
128.06210	1.4
129.07014	8.9
131.08601	1.1
133.10114	6.4
135.11678	0.9
143.08551	6.3
145.10124	6.3
147.08006	2.0
147.11687	24.2
156.09438	1.1
161.09613	1.9
161.13242	7.3
163.11165	1.2
167.14389	0.8
171.11693	17.0
179.14331	1.0
189.12743	8.0
192.29494	0.9
193.96655	0.9
207.13795	16.9
225.14902	2.4
263.16415	1.6
281.17484	42.8
282.17993	1.2
318.46701	0.8
346.51605	0.9
469.29532	3.1
487.30545	100.0
488.30786	5.0
829.78998	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.6441
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	100.0
69.07056	38.0
69.38199	53.7
69.38605	25.3
79.05495	68.1
81.07063	84.9
83.04975	7.3
83.08625	28.6
85.02892	12.8
91.05479	63.5
93.07054	73.0
95.04971	15.1
95.08605	61.3
97.10178	37.2
105.07024	54.8
107.08591	53.5
109.10149	44.6
117.07021	28.6
119.08585	49.4
121.06492	9.7
121.10132	36.5
123.11689	10.2
125.09605	17.5
129.07074	17.7
131.08557	46.8
133.10150	49.6
135.11676	33.8
141.07085	10.6
143.08595	25.2
145.10155	18.0
147.11694	18.8
149.13268	17.2
157.10158	22.7
159.11705	26.8
161.13237	16.4
169.10114	11.1
171.11708	23.4
173.13289	12.3
175.14972	9.7
178.47070	8.6
183.11691	14.9
184.07338	31.8
185.13242	13.3
197.13304	11.6
199.16844	8.7
220.04832	8.5
277.21524	20.6
301.21719	8.0
385.30914	19.5
574.73590	9.5
829.62305	23.4
847.65076	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	845.5033
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	6.0
63.92648	2.6
65.53317	2.7
65.91355	2.4
67.05494	10.6
69.07053	3.9
71.59079	2.8
71.59477	3.5
73.02922	7.3
79.05496	9.1
81.03421	3.7
81.07042	7.9
85.02895	7.6
91.05472	10.8
93.07033	8.5
95.08602	6.4
97.02883	5.2
101.02378	3.4
105.07015	7.3
107.08606	5.9
119.08581	6.0
120.41095	2.5
127.03907	6.0
131.08528	3.0
133.10143	4.0
139.43927	2.6
145.10077	3.3
149.13316	3.0
154.17076	2.6
161.13271	2.6
172.98697	2.7
192.70918	2.9
234.87306	2.6
243.08388	6.0
374.77396	3.1
454.23727	3.2
465.20770	20.4
533.26746	4.2
535.29144	13.4
551.27972	3.4
689.34540	4.5
747.41803	4.3
759.42865	100.0
760.44226	4.3
761.61011	2.7
827.48340	10.0
845.49774	54.5
846.48828	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	845.5015
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	4.5
62.30599	1.5
67.05509	6.3
69.03431	2.3
69.07092	4.4
71.59248	3.3
73.02914	1.6
79.05506	4.6
81.07071	4.2
83.04974	1.5
85.02910	4.8
86.09709	3.6
89.11858	1.6
91.03946	3.3
91.05493	3.4
93.07049	6.5
97.02892	2.7
101.02374	1.5
105.07026	4.0
106.10577	1.5
107.08622	2.6
109.10126	2.0
119.08613	2.5
121.10143	2.1
125.00010	5.1
133.10114	3.1
184.07335	17.4
243.08372	2.7
300.75269	1.8
333.20456	2.4
393.58658	1.6
439.19342	2.3
535.28973	4.6
551.28467	7.1
845.50134	100.0
846.49982	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	843.4862
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	5.3
67.05500	5.5
69.03427	3.2
69.65157	6.0
69.65600	6.8
73.02923	3.3
79.05487	3.7
81.03432	2.6
81.07068	4.5
81.99785	1.7
85.02934	4.0
91.03987	2.0
91.05512	5.6
93.07075	2.7
95.08595	2.7
97.02895	3.7
98.20736	1.7
105.07067	3.3
107.08613	2.3
116.71842	1.8
133.10155	3.9
150.05135	1.7
231.60983	1.6
243.08386	3.2
250.13603	1.8
275.50580	1.7
313.17828	2.7
375.98462	1.6
451.19885	1.9
488.37244	1.8
531.26154	2.7
535.28900	7.7
549.26703	6.5
585.72095	2.0
682.26349	1.8
745.40851	2.5
773.40100	2.3
825.47784	12.5
843.48639	100.0
844.48792	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5014
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	4.1
65.24625	0.4
67.05497	5.2
69.03416	3.2
69.07063	2.3
71.01334	0.5
71.32292	1.0
73.02926	3.0
79.05492	5.2
81.03419	2.2
81.07056	5.2
83.04979	1.0
83.08631	0.8
85.02911	4.0
91.03938	2.8
91.05478	5.5
93.07040	6.5
95.04977	1.5
95.08589	2.8
97.02870	4.4
97.06540	0.8
99.04480	0.7
101.02383	1.9
101.19739	0.5
105.07027	3.4
107.08587	2.6
109.02835	0.7
109.10165	0.7
111.08086	0.5
115.03982	0.5
117.07070	1.0
119.08599	2.7
121.10160	1.7
126.95089	0.5
127.03893	1.1
129.07066	0.6
131.08542	1.2
133.10152	2.3
135.11711	1.5
143.08603	0.6
145.10141	1.4
147.11693	1.1
149.13324	0.6
151.78716	0.5
159.11653	0.7
161.13339	0.7
168.46083	0.5
185.04300	1.6
203.05350	0.8
243.08423	3.6
301.09094	1.4
312.41055	0.4
315.10516	0.8
333.20285	3.4
389.23026	0.7
439.19458	1.5
465.37448	0.5
535.28809	8.4
541.22559	0.8
551.28412	6.0
623.30548	1.0
747.42328	0.6
798.07355	0.5
845.50146	100.0
846.50629	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5456
Annotation	Unknow
Peak:m/z	Relative Intensity
61.99360	5.8
62.28747	5.5
67.05495	80.2
69.07054	32.3
71.59628	11.4
79.05489	82.4
81.03423	11.8
81.07053	90.0
83.04986	8.6
83.08627	15.1
85.02898	12.8
91.05478	100.0
93.07039	87.0
93.58360	6.3
95.04974	26.7
95.08602	61.6
97.02913	8.5
97.06541	7.0
97.10185	10.9
105.07020	85.6
107.04899	8.7
107.08595	45.3
109.10198	28.6
117.07014	43.6
119.08581	59.4
121.10152	24.9
123.11691	9.6
127.03908	6.5
128.06261	10.4
129.07021	16.3
131.08569	34.5
133.10120	39.1
134.30769	5.8
135.08121	10.8
135.11710	25.9
141.07010	6.9
142.07835	6.0
143.08559	18.2
143.26657	5.7
145.10129	33.8
147.11694	31.4
149.13322	8.1
155.08556	16.1
157.10193	22.8
159.11708	18.8
161.13258	16.5
163.11195	9.3
169.10165	21.5
171.11674	21.5
173.13286	15.8
175.14758	9.3
181.10031	10.6
185.13300	18.1
193.93832	6.3
197.13272	9.0
241.19521	13.0
259.20627	22.7
275.20233	6.5
300.32104	7.6
333.24261	23.9
335.25900	8.8
440.10760	7.3
443.82880	7.9
527.37561	9.1
568.56689	7.1
609.44867	31.1
625.43829	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	840.5461
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52940	3.3
67.05503	89.7
69.03406	5.0
69.07072	39.0
70.08723	17.5
71.04987	7.9
73.02908	3.8
79.05492	93.3
81.03414	11.0
81.07058	100.0
83.04995	10.6
83.08629	15.9
84.97360	3.5
85.02907	6.7
85.06568	4.5
87.04482	4.8
91.05479	92.4
92.05831	5.8
93.07043	92.3
95.04971	17.0
95.08600	55.5
97.02888	7.7
97.06519	15.4
97.10153	9.3
99.08103	6.1
101.51396	4.6
105.07027	88.3
107.04916	8.9
107.08589	51.8
109.06541	9.3
109.10132	26.0
111.08078	6.1
117.07020	33.4
119.08577	58.9
121.06507	9.2
121.10128	28.8
123.08078	5.5
123.11720	9.2
129.07002	18.4
131.08563	36.0
133.06535	4.5
133.10127	53.9
135.08096	7.3
135.11682	22.7
137.09653	7.4
139.11125	4.9
142.07727	4.8
143.08568	15.7
145.10126	32.5
147.11697	41.5
149.09645	5.7
149.13274	16.5
155.08545	10.7
157.10149	16.7
159.11687	26.0
161.13301	12.6
163.14890	4.0
167.08524	4.9
169.10114	7.3
171.11623	18.2
173.13242	10.8
175.14864	8.2
177.09163	3.6
177.12747	6.8
181.10075	5.3
183.11690	10.3
184.07367	5.7
185.13303	15.9
187.14815	6.2
195.11827	6.8
197.13330	7.2
199.14897	5.8
209.13264	8.3
211.14738	5.1
213.16350	4.9
223.14952	4.1
225.16377	4.2
241.19603	10.2
255.15912	12.4
257.18979	8.7
259.20584	35.8
261.22092	5.6
267.15967	7.0
269.17413	21.7
275.20059	15.1
276.20480	5.7
301.22073	4.4
315.23065	5.5
333.24255	33.9
335.25726	5.9
349.23679	12.4
367.24789	5.4
435.32571	11.1
509.35422	4.8
513.35571	7.0
515.37695	5.2
527.37378	50.7
533.40015	5.3
545.37897	5.0
607.43555	18.1
625.44403	16.6
661.24585	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	840.5462
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	7.8
67.05505	89.4
69.03433	13.1
69.07056	32.1
71.04984	7.9
74.06083	12.3
79.05495	77.8
81.03421	21.4
81.07065	100.0
82.06564	13.6
83.04977	12.5
83.08616	24.4
87.57833	8.0
91.05479	82.4
93.07037	91.0
94.06567	15.5
95.04979	20.6
95.08601	59.6
97.06525	12.6
98.20683	11.5
105.07030	95.4
107.08578	45.3
109.10145	20.8
112.17389	7.7
115.05500	9.0
117.06996	21.4
119.08576	51.9
121.06481	11.7
121.10123	28.2
129.07008	16.0
131.08569	32.0
133.10143	43.4
135.11670	31.6
143.08546	15.5
145.10121	21.5
147.11694	22.2
147.86530	7.9
149.13263	17.3
155.08589	12.3
157.10088	13.7
159.11679	18.3
161.13231	22.1
167.18370	9.4
169.10112	8.2
171.11624	20.9
173.13243	12.4
183.11687	10.1
185.13283	15.5
190.82419	8.4
193.12347	10.5
197.12955	10.4
220.17018	8.8
229.71721	10.1
241.19385	9.2
248.16588	14.4
259.20593	25.8
269.17484	9.9
275.20050	13.7
333.24252	28.2
337.06757	9.4
349.24026	15.1
423.97672	7.5
513.35895	17.1
527.37134	50.1
607.43268	14.8
614.45917	35.0
625.44189	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	838.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	3.9
67.05180	5.1
67.05507	85.2
69.03411	6.9
69.07070	26.1
69.24753	37.1
69.25163	5.9
71.04985	7.9
72.56550	3.3
79.05496	74.2
81.03410	11.6
81.07055	86.7
83.04974	16.4
83.08599	11.1
85.06531	9.1
91.05480	95.9
93.07051	67.3
95.04974	20.3
95.08612	39.9
97.06533	10.4
97.10173	5.8
105.07030	100.0
107.04963	6.3
107.08596	52.1
109.06507	11.6
109.10157	48.2
111.08029	7.7
115.05470	3.4
117.07029	26.1
119.08585	49.5
121.06492	6.3
121.10172	19.7
123.08047	6.8
123.11710	11.5
126.29377	3.5
128.06247	6.6
129.05447	3.1
129.07004	17.0
131.08565	38.1
133.10127	91.6
135.08047	10.3
135.11693	18.3
137.09612	7.2
141.06981	5.5
142.07687	3.2
143.08562	17.2
145.06514	3.6
145.10132	24.8
147.11731	31.8
149.09647	9.7
149.13214	5.3
151.11168	32.9
155.08586	5.9
157.10143	16.4
159.07976	3.9
159.11682	17.6
161.09615	8.3
161.13274	21.8
163.11142	4.0
169.10112	6.2
169.12239	7.5
171.11703	12.1
173.13263	11.9
175.14807	6.9
183.11664	5.9
185.13217	8.0
187.14752	4.7
189.12854	4.3
195.11751	4.4
197.13301	7.8
204.79831	3.6
205.10291	3.7
231.21074	4.4
241.19479	20.0
241.45665	4.0
245.18886	5.0
253.11699	3.8
253.14354	81.0
257.19119	4.6
259.20587	49.7
271.15295	4.4
273.18591	16.0
291.19516	14.9
315.23065	7.3
333.24319	48.3
347.22061	4.4
365.23291	27.7
409.30847	5.5
437.30603	7.5
511.33923	12.5
525.35120	3.4
529.35101	17.0
531.37952	6.0
605.41272	7.7
623.43042	42.6
641.43976	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	840.5464
Annotation	Unknow
Peak:m/z	Relative Intensity
61.87002	5.0
65.03939	6.9
67.05505	95.5
69.03455	7.7
69.06713	4.7
69.07059	35.4
69.45914	5.6
71.50488	12.0
74.06074	9.4
79.05495	89.5
81.03414	7.4
81.07055	82.9
82.06585	14.0
83.04991	15.6
83.08632	19.6
85.02905	6.5
91.05478	100.0
92.27916	6.1
93.07038	80.8
94.06594	9.2
95.04982	12.6
95.08614	65.3
97.06541	11.4
97.10165	12.5
105.07025	79.2
107.08578	49.9
109.06513	8.7
109.10155	24.7
117.07022	24.0
119.08588	55.5
121.06512	13.8
121.10157	23.8
123.08044	7.7
125.09634	7.8
129.07028	23.7
131.08583	44.4
133.10117	40.9
135.11705	21.3
141.06973	12.1
143.08572	19.5
145.10091	42.2
147.08054	7.4
147.11681	30.5
149.13281	11.5
155.08585	11.6
157.10159	15.0
159.11714	28.8
161.13336	15.4
163.11174	7.9
169.10094	15.8
171.11734	20.0
173.13219	13.8
175.14857	8.4
181.10213	9.4
183.11734	16.3
184.07318	7.6
185.13278	15.1
188.72849	5.9
195.11893	7.4
197.13292	15.7
199.14859	7.7
220.17181	6.4
229.14247	6.4
237.16507	6.5
239.17867	6.5
241.19563	16.3
248.16455	11.5
257.18967	13.5
259.20642	20.6
267.16000	6.8
268.16306	5.8
269.17368	11.3
275.20056	19.9
313.27560	5.7
333.24365	27.5
349.23788	18.1
426.41397	6.6
513.35657	17.3
515.37738	7.6
527.20563	7.9
527.37354	15.9
607.43677	27.5
614.46246	28.1
625.44611	26.9
715.95575	6.3
847.80341	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	838.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	55.8
69.03442	5.5
69.07068	42.5
71.04991	5.2
78.87624	2.4
79.05492	60.1
80.86111	2.5
81.03422	16.8
81.07057	91.6
83.04990	9.4
83.08627	12.7
85.06561	4.8
87.04456	8.8
91.05482	74.6
93.07047	57.6
95.01329	8.8
95.04978	17.6
95.08605	40.7
97.06532	32.8
97.10173	7.4
99.01962	2.7
99.08135	2.7
103.05529	3.2
105.07031	91.0
107.04955	20.6
107.08585	32.4
109.02843	2.6
109.06515	7.3
109.10157	12.5
111.08097	4.9
117.07004	22.9
119.08591	46.1
121.06517	10.1
121.10165	16.9
123.08088	6.4
123.11709	5.9
125.09734	4.3
129.07039	7.4
131.08557	32.4
133.10132	42.3
135.08057	7.3
135.11678	14.4
141.07021	4.4
143.08539	5.7
145.06549	2.8
145.10114	24.9
147.08041	2.8
147.11697	22.5
149.09677	14.7
149.13298	9.3
157.10117	5.0
159.11673	15.9
159.55574	3.1
161.13245	5.6
163.11217	5.8
169.10130	6.2
171.11681	5.9
173.13275	6.2
177.12741	6.6
179.14316	9.9
183.11775	3.1
187.11111	3.1
195.13927	3.4
197.13388	3.0
213.16422	4.5
247.20735	3.1
255.15857	7.1
257.18869	13.1
259.20413	5.5
269.17447	25.4
275.20068	90.0
276.20410	3.7
291.19577	12.1
293.21127	8.4
341.57785	2.9
349.23764	48.4
367.24695	3.3
491.49225	2.9
529.35370	20.3
543.36841	100.0
544.36969	3.7
546.83685	3.1
623.42871	22.5
641.43811	8.1
687.41150	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	838.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
61.47964	5.1
67.05505	85.7
69.03419	12.1
69.07069	40.4
69.91520	36.3
79.05496	73.8
79.29240	5.2
81.03417	12.0
81.07053	72.6
83.04967	12.0
83.08602	15.5
85.02895	6.6
87.04462	17.6
89.81720	5.7
91.05474	98.6
93.07040	75.3
95.04973	18.3
95.08620	45.5
97.06520	21.7
97.10162	19.2
105.07030	100.0
107.04964	15.3
107.08584	44.9
109.06507	5.9
109.10184	18.6
117.07029	29.3
119.04963	6.6
119.08579	66.6
121.06523	6.0
121.10149	20.1
125.09616	13.4
126.61369	4.9
129.07004	15.6
131.08571	36.1
133.10126	51.4
135.08051	7.7
135.11682	22.3
136.06221	8.4
141.07031	7.7
143.08556	8.1
145.10098	25.2
147.11684	32.4
155.08521	6.4
157.10149	15.2
159.11673	18.4
161.13275	16.3
171.11700	13.1
173.13234	11.0
183.11757	10.3
185.13268	5.8
189.11197	10.1
195.13698	6.3
197.13228	6.9
199.14780	5.7
223.13274	9.5
227.12769	7.2
231.21123	8.5
241.19604	9.6
249.14737	6.9
257.18756	6.5
259.20486	32.0
273.18423	11.1
275.20105	39.8
291.19528	76.4
315.23065	8.8
333.24258	49.5
349.23813	34.2
365.23215	26.5
469.33020	6.3
520.48529	6.4
525.35754	15.9
529.35431	11.9
543.36713	60.6
623.43353	56.8
641.44055	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	838.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
61.91940	2.7
67.05504	63.0
67.05837	5.6
69.03437	15.4
69.07069	34.4
79.05492	63.3
81.03420	6.8
81.07056	59.3
83.04970	7.8
83.08621	13.4
85.06588	3.2
87.04485	5.7
91.05479	64.4
93.07047	67.6
95.04972	13.7
95.08606	36.2
95.22630	2.8
97.02911	10.5
97.06505	5.3
97.10173	21.3
105.07035	65.1
107.04971	13.1
107.08592	36.5
109.06521	6.2
109.10149	21.6
111.08100	4.6
115.05460	6.8
117.07013	26.0
119.04948	3.6
119.08591	54.0
119.82149	3.0
121.06512	7.0
121.10131	15.9
123.08060	6.3
123.11694	5.5
125.09628	14.2
128.06201	3.3
129.06978	14.3
130.73442	3.1
130.77008	2.9
131.08566	30.0
133.06491	6.3
133.10121	34.2
135.08047	6.6
135.11707	10.2
137.09628	4.8
141.07010	4.4
143.08537	16.2
145.10126	22.5
147.08031	10.2
147.11673	29.6
149.09648	4.4
149.13335	5.7
155.08562	7.3
157.10153	11.8
159.11678	21.4
161.09615	6.2
161.13239	15.4
163.11168	4.8
169.10156	7.9
171.11746	9.0
173.13275	10.3
173.30647	3.1
175.14812	8.4
181.10027	3.3
183.11691	4.6
185.13275	6.9
189.11234	8.8
189.12770	3.1
195.11752	3.5
197.13193	5.0
199.14819	6.6
206.38405	3.4
213.16466	4.2
223.13203	19.5
225.16327	3.0
227.12781	12.3
229.40125	4.6
231.21011	4.6
239.17967	3.7
241.19518	18.7
259.20538	43.0
273.18372	9.2
275.20099	8.1
291.19540	100.0
299.23434	3.7
313.27994	3.1
315.23370	5.3
333.24234	50.7
349.23880	5.1
363.27206	3.8
365.23209	31.4
377.23074	3.2
379.29776	4.1
525.35492	10.8
543.36804	13.1
605.41821	4.2
623.43005	42.0
641.43921	6.1
682.02625	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	838.479
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03914	5.4
67.05503	100.0
69.03436	6.2
69.07058	21.4
71.04992	5.4
71.58636	7.4
72.59705	4.2
79.05485	36.7
81.03415	95.4
81.07054	46.1
83.04979	12.0
83.08624	30.2
85.02886	15.6
91.05466	47.2
92.39060	4.1
93.07048	22.8
95.04971	36.9
95.08597	19.1
97.02879	6.2
97.06549	7.7
97.10176	17.5
105.07069	26.1
107.04946	16.1
107.08614	25.9
109.06500	11.5
109.10157	76.4
110.43137	4.7
111.08067	13.6
117.06999	8.8
119.08566	27.3
121.06502	7.1
121.10143	16.8
125.09634	16.5
129.07011	12.9
131.08559	14.6
133.06480	4.7
133.10133	9.1
135.11690	7.2
137.09637	8.1
145.10088	13.1
147.04431	6.4
147.11684	10.2
149.09567	11.9
153.12724	7.4
157.10127	11.4
163.11151	13.1
165.12773	5.5
173.11739	20.0
175.11169	11.3
177.36014	4.9
181.12344	7.8
189.11243	5.5
191.10576	6.0
193.12218	33.3
199.13290	10.2
209.11806	10.4
211.13269	12.8
227.12779	13.0
229.14323	45.2
249.14850	7.1
267.15912	89.9
283.15308	10.9
301.16525	8.7
348.16360	5.7
399.23758	17.7
401.23248	9.8
421.25946	27.9
451.79779	4.5
458.26193	16.6
459.27402	6.2
471.14813	4.7
475.27090	9.7
476.27579	9.3
493.27853	10.1
589.91107	5.1
591.35468	12.5
784.68872	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	10.7
61.46506	1.0
65.03924	2.2
65.71130	1.1
67.05505	42.6
69.03444	4.7
69.07067	16.9
70.29581	1.1
70.72707	1.8
70.73078	2.0
71.04984	4.4
73.02903	2.4
79.05495	30.5
81.03419	56.2
81.07056	60.2
83.04977	13.9
83.08620	26.8
85.02424	1.7
85.02908	23.5
85.06538	3.3
91.03944	4.5
91.05477	32.1
93.07043	39.8
95.04964	26.7
95.08052	1.6
95.08606	16.6
97.02888	7.5
97.06538	8.2
97.10165	3.2
99.08095	2.9
100.01448	0.9
105.04478	1.3
105.07032	17.2
107.04941	5.2
107.08594	21.8
109.06511	4.5
109.10161	3.7
111.04450	2.5
111.08080	12.6
113.05998	3.2
117.06987	5.7
119.08582	15.9
121.06518	2.4
121.10136	18.2
123.08091	2.8
123.11669	2.6
125.09579	1.6
127.03918	1.9
129.06996	8.6
131.08569	11.8
133.06485	2.5
133.10126	13.5
135.08069	1.6
135.11699	6.0
137.09645	1.7
139.11226	1.3
142.07819	1.3
145.04990	2.1
145.10132	1.5
147.08025	3.4
147.11694	13.3
149.09625	6.5
149.13252	20.7
157.10152	14.6
159.11678	9.1
163.05994	1.9
163.11128	1.2
165.12753	3.3
175.11191	9.9
177.12740	3.3
193.12256	31.8
195.13753	6.5
211.13283	42.1
212.13628	1.4
213.14922	1.6
216.50381	1.1
249.14763	1.1
267.15909	34.0
269.17477	63.6
270.17682	1.0
274.13550	1.0
285.16962	34.1
286.17465	1.0
435.27496	1.3
461.28998	79.1
462.29282	2.9
475.27658	1.1
479.30023	100.0
480.30261	3.5
605.78003	1.1
623.34045	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	1.9
63.14080	0.6
65.03953	1.2
67.05505	26.1
69.03442	0.7
69.07076	7.1
70.48728	1.4
71.01335	0.6
71.04980	1.8
79.05496	29.3
81.03417	2.8
81.07059	27.2
83.04995	4.7
83.08625	5.5
85.02895	2.6
85.06522	1.5
87.61502	0.7
91.03966	1.7
91.05482	18.2
93.07043	32.7
95.04971	7.0
95.08607	12.4
97.02878	1.3
97.06519	3.5
97.10175	1.5
98.21459	0.8
99.08115	1.0
105.07037	11.1
107.04939	2.2
107.08600	11.2
109.06532	3.0
109.10169	1.9
111.08090	2.8
117.07014	4.5
119.08595	7.0
121.06498	1.2
121.10153	6.9
123.08070	2.4
128.06219	0.8
129.07014	5.7
131.08557	2.5
133.10118	5.3
135.08086	0.7
135.11699	2.3
143.08560	2.4
145.04884	0.8
145.10133	2.7
147.08133	1.4
147.11690	11.6
149.13287	7.4
149.25754	0.6
159.11694	4.0
161.09695	0.9
161.13254	4.0
171.11696	8.8
177.12698	1.6
189.12756	2.5
195.13808	1.4
207.13826	7.8
225.14833	1.4
235.60205	0.6
251.16316	0.7
269.17474	21.7
281.17487	19.9
282.18002	0.7
307.34119	0.7
439.84628	0.7
457.29175	0.7
475.30557	100.0
476.30978	4.1
516.75879	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	13.1
65.89346	1.5
67.05505	24.1
69.03411	5.5
69.07066	5.6
71.04976	2.5
71.59710	2.6
73.02920	3.8
79.05495	26.1
81.03419	92.3
81.07053	25.6
83.04987	13.2
83.08144	2.1
83.08623	24.4
83.79369	1.9
85.02431	2.1
85.02908	27.6
91.03955	5.8
91.05484	29.7
93.07043	16.6
95.04967	30.4
95.08070	2.0
95.08597	11.6
97.02907	10.5
97.06517	3.6
97.10158	6.5
105.06518	1.9
105.07055	21.3
107.04984	8.9
107.08582	6.6
109.02901	2.4
109.06512	4.0
109.10130	3.9
111.08087	7.4
115.05405	2.2
117.07020	3.6
119.08588	16.3
121.06490	4.2
121.10150	8.8
123.04438	2.6
123.08058	3.1
125.09615	3.5
127.03921	3.6
129.07008	12.3
131.04921	2.1
131.08578	14.7
133.06482	3.8
133.10130	9.8
135.08025	2.7
137.09573	2.4
142.07753	2.6
143.08629	1.9
145.04941	2.6
145.06436	5.3
145.10101	5.0
147.08041	6.2
147.11652	11.5
149.09624	8.1
157.10138	11.7
159.11711	2.3
163.11111	2.1
165.12698	2.0
175.11185	13.1
193.12236	34.5
211.13312	19.3
227.12674	1.9
249.14767	3.7
255.13753	3.6
267.15915	100.0
268.16232	1.8
273.14923	5.9
285.16931	23.0
339.22531	1.8
349.21426	4.3
367.22681	9.0
385.23825	14.3
403.24713	3.5
433.25662	14.1
441.26392	5.7
459.27396	74.0
477.28506	40.5
501.28299	2.5
519.29529	4.3
816.68652	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	1.4
67.05496	1.4
68.99779	3.7
69.03432	10.6
69.48450	5.5
71.01353	0.7
71.04967	1.6
73.02911	1.7
79.05492	3.4
79.63404	0.6
81.03417	13.3
81.07053	0.7
83.01391	0.8
85.02905	22.8
87.00828	8.2
91.05487	4.2
93.07056	1.3
95.04970	4.1
95.08588	1.7
97.02884	9.7
98.20746	1.1
99.04456	4.2
103.03920	0.7
103.05453	3.1
105.01864	7.8
105.07027	7.5
106.04129	0.6
107.04955	43.3
107.08574	1.1
108.04503	0.6
109.02881	14.1
109.06482	0.9
115.03948	0.7
115.05439	2.6
117.01836	2.0
117.07017	2.8
118.04156	1.7
119.04951	0.8
119.92161	0.6
121.06512	4.0
122.03584	0.6
123.04428	4.3
124.05212	1.3
125.06010	3.0
127.03915	17.2
128.06314	0.7
129.01822	1.7
129.06949	0.8
131.04927	3.9
131.08557	1.4
133.06491	20.0
135.04399	1.9
135.08051	23.2
136.06183	1.3
137.05974	29.8
139.03841	0.7
139.07550	2.4
141.07008	0.8
145.04980	6.6
145.06468	3.9
147.02904	1.5
147.04416	2.4
147.08018	2.6
148.05190	28.0
149.05986	2.0
150.06754	0.7
151.03909	0.9
151.07547	9.2
152.04694	1.2
153.05438	2.2
157.06602	0.7
159.02888	6.4
159.08026	4.6
161.05978	28.3
162.06708	1.6
163.03908	10.2
163.07544	63.5
164.07933	0.9
165.05559	0.6
165.09090	1.8
166.06293	0.8
167.07043	19.5
171.02885	0.8
172.05132	2.4
173.06021	0.9
174.06870	1.0
175.07523	5.2
177.05467	1.7
177.09125	3.3
178.06247	52.7
179.06926	2.1
181.08601	5.3
182.07242	0.6
185.05969	1.4
186.06758	0.6
187.07529	6.2
189.03938	1.9
189.09158	1.5
190.06233	2.4
191.07063	1.9
193.08606	29.8
199.07587	1.3
201.05359	0.6
201.09097	1.9
202.06245	2.5
203.06984	1.3
205.08588	9.2
207.10149	3.5
210.06816	1.0
211.07582	1.6
213.03879	1.2
214.06276	2.7
215.06914	0.9
217.08569	2.7
219.10164	0.8
225.09146	2.5
227.06850	1.1
228.07796	0.6
229.08691	3.9
231.04948	4.6
235.07623	0.9
235.09702	2.2
237.09003	0.7
239.07085	0.8
241.08681	1.1
242.09372	0.7
243.10178	1.6
245.07991	0.9
247.09489	1.1
248.08011	0.7
249.06116	1.0
249.09044	0.8
253.08643	3.2
254.09343	0.9
255.10229	0.7
259.09680	0.9
270.08905	2.4
271.09659	3.4
273.06091	1.1
280.07281	0.7
283.09674	1.6
285.11166	2.0
289.11005	0.9
289.14191	0.9
294.09128	0.7
295.09531	0.9
297.11203	0.7
301.10846	1.1
303.12271	6.9
309.11307	1.4
317.13834	100.0
318.14243	3.7
327.12262	2.7
329.13800	2.2
339.12460	0.8
341.13815	18.8
342.14413	0.7
345.13617	0.8
350.11441	0.7
353.13843	1.4
359.14883	25.6
360.15210	0.8
365.13879	2.3
375.11093	1.0
383.14877	19.4
384.15082	0.9
393.12396	0.8
407.14841	7.7
425.15997	7.4
449.15839	2.3
511.15964	1.3
529.17084	5.6
543.16132	0.6
547.17993	4.0
553.17151	1.0
565.18988	2.4
571.18707	0.9
622.38104	0.7
815.03387	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.4899
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	19.4
65.03931	3.1
67.04235	8.3
67.05169	4.4
67.05503	49.2
68.05025	3.0
68.87425	2.0
69.03418	12.2
69.07071	28.2
69.78626	12.8
70.06594	4.0
71.04992	8.4
73.02905	9.6
74.05657	3.2
74.06078	54.2
75.04472	2.1
75.72123	2.1
79.05057	4.2
79.05492	53.2
80.05023	6.6
81.03424	28.9
81.07055	59.5
82.06580	84.1
83.04978	28.4
83.08634	15.9
85.02898	17.0
85.06542	3.1
90.38348	2.2
91.03945	5.6
91.05481	44.1
93.05793	4.5
93.07042	50.1
94.06567	81.1
95.04974	21.2
95.07371	2.9
95.08603	24.6
96.08136	12.4
97.02890	13.6
97.06536	8.6
97.10155	11.5
98.06064	3.6
99.08041	2.3
100.07624	8.6
100.82159	2.3
101.02382	4.2
105.07032	30.0
106.06544	2.3
107.04935	6.5
107.08601	28.7
108.08141	11.9
109.06532	6.3
109.10137	8.6
110.06055	5.9
110.09695	3.0
111.08073	5.1
112.07598	4.8
117.07031	9.1
118.06538	3.9
119.08576	24.8
120.08105	8.6
121.06512	4.0
121.10146	11.9
122.06013	5.6
122.09663	4.6
123.08076	5.6
123.11722	5.3
124.07594	6.1
125.09608	7.7
127.03880	3.3
128.07094	7.1
129.05487	2.7
129.07025	7.6
131.08600	17.8
132.08089	5.5
133.10164	17.5
134.09630	4.9
135.08069	5.7
135.11690	9.0
136.07596	23.1
137.09642	2.9
139.03848	2.7
139.11185	3.1
143.08530	4.9
145.10138	8.3
147.11707	14.0
148.07495	2.7
149.09586	12.7
149.13324	4.4
150.09181	6.2
152.07062	6.2
154.12270	10.3
157.10196	5.3
159.11722	8.9
163.11217	3.4
169.10062	2.6
171.11600	2.9
173.13246	4.2
175.11147	4.6
177.12720	3.1
178.46191	2.4
179.14308	2.9
193.12164	12.5
195.13751	2.5
202.15955	3.5
206.15511	2.9
211.13301	7.3
220.16968	38.7
227.12794	6.2
230.15387	15.2
238.18010	8.1
243.08235	2.7
248.13875	5.1
248.16463	100.0
249.16725	3.2
255.15822	2.7
257.19037	3.7
266.17566	11.2
267.15961	33.1
269.17419	18.1
275.19989	21.7
278.17493	3.3
285.17004	8.7
304.19095	7.6
322.20193	9.8
340.21259	6.2
349.23737	19.4
358.22156	5.0
367.24844	5.1
447.27496	4.6
451.14706	2.9
461.29050	21.6
479.29974	7.0
494.30124	3.4
502.23773	3.5
516.33099	9.3
534.34167	8.0
541.35022	13.3
552.35516	12.9
556.34564	6.3
559.36292	5.6
570.36432	8.1
596.39465	5.0
614.40491	13.3
632.41241	17.3
650.42596	39.9
668.43628	43.7
714.40930	4.5
718.40216	2.6
794.46265	5.3
812.47736	26.1
830.48016	96.4
831.47424	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	829.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	3.8
67.05505	3.4
69.03439	2.2
69.07079	1.0
69.38076	4.7
71.01337	0.5
73.02929	3.1
73.34673	0.4
79.05492	2.4
81.03408	1.0
81.07052	4.1
83.08599	0.5
85.02901	3.2
88.55299	0.4
91.03960	2.0
91.05483	2.1
91.08963	0.5
93.07056	2.3
95.04987	0.8
95.08622	2.5
97.02872	2.8
101.02404	0.8
104.73798	0.5
105.07055	1.5
107.08606	1.8
109.02887	1.1
117.07008	0.7
119.08614	1.0
121.10135	1.3
127.03927	0.8
131.08582	0.9
133.10196	0.6
135.11674	0.9
143.08589	0.4
145.05026	0.4
152.34171	0.4
231.60342	0.4
243.08481	1.6
284.14499	0.5
333.20505	1.7
335.25949	0.5
439.19495	0.7
453.20996	1.2
519.29315	7.4
551.28271	4.6
731.43488	1.0
829.50677	100.0
830.51038	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	829.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	5.4
70.48360	2.9
71.58980	3.1
71.59550	4.8
79.05500	4.9
81.07041	3.4
85.02893	5.3
91.74749	3.2
97.02892	4.5
105.07030	5.1
127.03963	5.4
131.08527	3.7
199.22307	3.3
258.36612	3.7
519.29449	11.9
551.28363	4.2
705.43463	4.7
739.05109	3.7
815.16803	4.6
829.50635	100.0
830.50922	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	827.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	3.8
63.81931	0.6
67.05511	4.2
69.03422	3.1
69.07063	3.8
69.41031	5.4
69.41457	1.2
73.02908	3.7
79.05485	4.5
81.03434	1.7
81.07059	5.1
85.02905	4.0
91.03983	2.7
91.05474	3.7
93.07046	4.6
95.04986	1.0
95.08610	3.1
97.02889	3.5
97.06538	1.2
101.02394	0.7
105.07022	4.7
107.04990	1.2
107.08613	2.5
109.10174	1.6
117.07035	0.9
119.08598	2.8
121.10150	1.6
131.08595	1.6
133.10139	1.8
135.11784	1.1
138.49814	0.8
145.10152	1.4
147.11662	0.9
149.09593	0.7
149.13332	0.8
161.13287	1.1
171.11613	0.8
185.04259	1.2
237.37192	0.6
243.08482	3.3
301.08987	1.5
314.27869	0.7
315.19363	4.3
465.21014	0.9
468.37476	1.0
533.27173	9.1
535.28632	8.9
605.29150	0.9
689.38104	0.8
827.49115	100.0
828.49139	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	829.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	5.9
66.38458	0.5
66.93710	0.6
67.05502	5.6
68.26141	0.6
69.03441	3.8
69.07068	1.8
69.89526	2.7
73.02918	3.7
74.57961	0.5
79.05492	6.4
81.03417	1.8
81.07054	5.1
83.08621	0.8
84.28684	0.6
85.02901	5.7
88.91505	0.6
91.03951	3.5
91.05480	6.0
93.07053	8.0
95.04978	1.8
95.08605	4.1
97.02884	5.6
99.04472	0.7
101.02386	2.3
105.07050	4.3
107.08614	3.1
109.02878	0.8
109.06512	0.8
109.10191	1.1
117.06998	1.7
119.08583	3.7
120.08904	0.7
120.24603	0.6
121.10169	2.1
127.03936	1.3
129.05511	0.8
129.07002	0.7
131.08577	2.0
133.10077	3.0
135.11694	1.5
143.08557	0.7
145.10135	1.6
147.11668	2.0
149.13304	0.8
159.11731	0.7
161.13345	0.8
171.11671	0.7
184.07430	0.6
185.04211	1.3
201.03809	0.8
203.05319	0.7
233.86630	0.6
243.08427	4.4
259.20642	0.8
301.09006	3.2
313.27417	0.7
315.10507	1.1
317.21033	1.5
353.65955	0.7
369.15274	1.1
373.11209	0.8
373.23749	0.8
397.18207	0.8
465.21115	1.8
495.22229	0.8
525.23407	1.5
535.28827	17.6
536.29126	1.1
567.45953	0.6
607.31152	1.9
829.50684	100.0
830.50897	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	826.515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04993	2.9
61.02928	9.6
67.05505	48.7
69.03423	1.7
69.07066	4.9
69.77155	1.0
70.55010	3.6
71.04971	1.5
71.08629	14.4
73.02914	2.3
79.05486	1.4
81.07057	12.8
83.08616	8.4
85.02905	9.0
85.06530	1.3
85.10194	9.0
91.03961	8.5
91.05467	2.8
93.07035	1.8
95.08604	12.7
97.02886	4.7
97.10139	2.2
107.08574	1.4
109.10155	55.2
111.08085	2.6
119.08569	3.5
122.86158	1.2
123.11691	1.7
127.03880	2.6
137.09599	2.7
137.13324	1.5
145.04942	2.7
155.10597	2.7
163.06026	4.9
173.11742	17.9
229.14348	100.0
239.23744	2.4
254.01810	1.1
296.91696	1.1
313.27353	79.2
314.27618	2.1
410.27725	1.1
467.37338	72.6
578.43811	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.551
Annotation	Unknow
Peak:m/z	Relative Intensity
61.77545	7.3
67.05506	57.1
67.23410	7.5
69.07052	12.6
70.11296	6.2
70.28855	27.2
70.52611	6.6
78.19531	7.5
79.05491	56.4
80.38264	7.0
81.07054	56.2
83.08597	8.4
91.05481	56.3
93.07048	43.3
95.08601	37.3
105.07033	46.3
107.08593	22.5
109.10152	17.4
117.07012	24.0
119.08581	36.5
121.10122	15.1
129.06993	19.9
131.08549	27.4
133.10077	19.4
135.11734	13.6
143.08557	16.1
145.10121	26.0
147.11716	14.4
155.08632	8.6
157.10109	24.5
159.11678	17.8
161.13333	7.4
169.10098	14.7
171.11678	24.2
181.10153	11.1
183.11732	13.9
185.13297	11.5
193.10037	8.2
197.13287	12.6
202.36533	8.8
209.13184	9.0
211.14661	9.5
239.18164	7.8
259.20682	7.6
517.39825	10.8
555.55304	7.8
578.47992	10.3
601.28290	7.9
609.35907	11.4
609.45020	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05020	1.6
59.25397	1.2
61.02932	1.7
65.03930	4.6
67.05502	82.0
69.03430	8.2
69.07064	23.6
69.37713	6.2
69.38136	5.9
71.04987	4.4
71.08626	1.5
73.02898	1.9
79.05488	62.3
81.03418	10.1
81.07053	83.5
83.04964	7.7
83.08613	12.4
85.02895	3.8
85.06548	3.2
91.05479	41.0
93.07040	73.2
95.04967	13.6
95.08603	48.2
97.02904	2.5
97.06524	12.8
97.10172	3.6
99.04467	2.0
99.08085	3.7
105.07018	35.4
105.07681	2.5
107.04958	4.6
107.08588	36.1
109.06506	5.8
109.10159	19.4
111.04451	1.3
111.08081	4.2
115.05437	1.9
117.07005	15.1
119.08580	26.2
121.06486	2.8
121.09307	2.5
121.10144	30.5
123.08093	2.7
123.10918	1.1
123.11678	6.2
125.09625	2.7
127.03935	3.4
128.06218	1.3
129.06995	6.4
130.07841	1.4
131.08569	20.9
133.06496	1.8
133.10133	23.1
135.08076	4.6
135.11681	22.9
137.09628	2.4
139.11217	2.1
143.08553	5.4
145.05038	1.3
145.10109	17.0
147.08029	1.6
147.11671	15.2
149.09586	7.7
149.13258	16.7
151.11171	2.4
155.08493	2.0
157.10141	3.0
159.11665	18.8
161.13306	8.3
163.11205	5.6
163.14827	2.7
165.12729	1.7
169.10074	3.0
171.11674	5.1
173.04492	2.4
173.13234	7.5
175.11208	1.6
175.14801	3.6
177.12727	4.8
179.10664	1.3
179.14323	2.2
181.12253	3.1
183.11595	2.4
185.13220	4.2
187.14828	3.7
195.13724	7.4
197.13235	2.6
199.14809	2.1
217.15813	1.8
227.12869	1.9
243.21147	3.9
247.20590	2.0
254.48074	1.3
255.15884	12.5
257.19040	8.4
259.20578	2.7
261.22101	16.3
267.15881	3.6
269.17471	35.6
275.20035	23.9
291.19736	1.5
293.21042	1.9
299.23553	1.7
309.20563	1.8
317.24741	3.8
331.22632	1.5
335.25784	100.0
336.26031	2.5
349.23715	21.5
367.24847	3.5
437.33878	2.0
515.37390	20.2
529.38867	76.0
530.38934	4.0
569.41809	7.6
609.36047	1.8
609.45129	20.3
627.45880	4.8
673.43030	2.2
805.25043	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	17.9
67.05502	79.5
69.07063	41.5
78.42579	13.4
78.93456	16.6
79.05502	60.4
81.03408	17.7
81.07041	76.7
91.05476	42.1
93.07050	51.0
95.04967	29.8
95.08611	31.4
97.10203	18.0
98.21458	34.6
103.91940	15.4
105.07012	29.5
107.08581	21.3
109.10147	21.7
112.45277	15.9
117.06992	21.1
119.08597	20.7
153.66423	17.0
184.07405	25.8
223.13300	20.0
273.18610	23.8
291.19540	100.0
300.45456	15.2
335.25748	74.1
365.23267	51.5
625.44153	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	822.5357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	5.7
58.70467	2.3
67.05505	39.6
69.03430	7.4
69.07061	23.1
70.76028	7.9
71.35063	2.4
79.05493	27.5
81.03397	4.8
81.07050	38.8
83.08621	7.9
91.05479	19.6
93.07038	27.4
95.04975	5.4
95.08619	26.8
97.02882	7.3
97.10176	12.7
105.07030	12.7
107.04961	3.6
107.08600	18.7
107.34904	2.3
109.06522	3.2
109.10151	12.2
117.07024	6.0
119.08592	12.3
121.10159	12.9
123.08047	4.9
125.09621	3.7
129.06969	2.6
131.08575	8.6
133.10115	8.9
135.11685	7.5
145.10114	7.1
147.07964	2.6
149.13242	3.3
159.11732	3.1
161.09636	3.6
189.11302	4.5
195.86018	2.5
223.13297	15.7
226.17880	2.6
227.12808	2.8
261.22168	7.1
273.18460	11.8
291.19540	100.0
317.24814	3.4
335.25797	88.5
356.46951	2.9
365.23224	45.7
549.36737	2.8
607.42499	4.0
614.61035	2.7
619.44141	3.2
625.44611	79.2
626.43860	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	822.5353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	8.6
67.05507	46.9
69.07056	31.5
70.76294	25.3
79.05475	32.6
81.07043	34.3
91.05476	29.1
93.07043	42.2
95.08586	25.7
97.10128	12.7
105.07011	18.2
107.04938	9.7
107.08583	25.6
119.08617	16.7
152.88513	8.1
156.12851	8.5
158.54068	10.2
165.54486	8.1
194.94461	9.5
223.13344	18.0
247.46992	9.4
287.12250	9.3
291.19510	100.0
335.25882	56.0
356.19855	8.8
360.29294	10.3
365.23105	40.2
394.66251	9.1
400.41980	8.2
560.99457	9.3
625.44678	42.3
790.19940	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	822.5356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	6.5
67.05504	53.2
69.07069	34.5
69.37280	57.7
70.03149	5.0
72.76628	5.2
79.05499	41.6
79.94419	5.7
81.03400	11.3
81.07061	63.8
83.04959	8.8
83.08595	6.8
88.91141	4.6
91.04961	8.7
91.05484	86.6
93.07034	55.6
95.01323	9.4
95.04971	18.4
95.08604	35.3
97.06519	21.8
97.10139	5.3
105.07027	100.0
107.04947	8.8
107.08611	24.7
109.10164	7.8
117.07011	21.5
119.08562	60.6
121.10127	11.6
129.07005	10.8
131.08557	39.2
133.10115	54.6
135.11687	13.7
143.08583	12.1
145.10135	25.7
147.11728	38.7
149.13272	7.3
151.98428	5.9
157.10104	14.9
159.11691	15.5
161.13240	19.3
163.11139	6.8
171.76466	5.7
173.13289	8.1
179.14311	11.5
241.19550	18.0
257.18967	8.1
259.20569	22.4
275.20050	56.6
283.46338	5.0
315.23206	13.5
321.80347	6.8
333.24200	62.0
343.60748	5.5
349.23764	50.8
423.39105	5.5
467.53256	5.5
532.94617	5.2
607.43408	93.6
608.43762	9.0
625.43976	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	823.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
65.51351	0.4
69.03413	1.1
69.98154	2.3
79.05493	6.0
80.05009	2.0
81.03400	0.8
85.02903	0.7
91.05479	4.5
92.04958	0.5
93.07047	6.9
94.06564	1.6
95.04964	2.2
95.07343	1.3
95.08577	0.8
96.08128	4.5
97.02875	0.7
103.05464	5.9
104.05062	0.6
105.05766	2.2
105.07030	0.8
106.06557	1.3
107.07341	2.4
107.08562	1.4
108.08111	6.2
110.09671	1.6
118.06516	3.2
119.07322	2.3
120.08103	33.3
121.08885	1.1
122.09662	16.2
123.04433	0.6
123.10365	0.6
124.11229	24.3
132.08078	1.5
133.08897	0.6
134.09657	2.0
135.10420	1.1
136.07573	1.0
136.11214	9.3
137.05952	1.8
137.08310	0.8
137.78296	0.5
144.08075	0.8
145.06529	0.5
145.07581	0.7
146.05992	1.1
146.09618	1.7
148.07568	100.0
148.11220	1.3
148.55656	0.5
150.09143	3.8
159.09203	2.1
159.10385	0.7
160.07538	1.2
160.11241	1.4
161.10799	0.7
162.09126	1.5
162.12781	1.0
164.10727	8.0
165.11450	1.0
166.12276	10.2
167.07057	2.3
172.07594	1.0
173.10756	0.7
175.08698	1.2
176.10710	1.4
178.12239	5.4
181.04915	0.7
181.08598	0.5
187.05020	0.7
187.08640	3.5
188.07155	0.9
188.10797	0.8
189.06590	3.5
189.10312	0.7
193.13387	2.1
195.10498	1.2
197.10732	0.8
199.08667	0.6
201.06598	2.1
201.10258	1.8
203.08168	1.3
205.09840	0.6
211.12299	0.9
212.13130	0.6
213.06610	0.7
213.10202	0.6
215.04425	1.6
215.08159	8.4
216.06647	0.8
217.06104	4.2
217.09642	0.8
218.08153	1.0
219.07716	0.5
225.06598	1.0
225.10277	0.8
225.13905	2.8
226.11108	0.5
226.14603	2.3
227.08148	1.0
227.11827	0.8
229.06128	2.7
229.09790	1.8
230.06641	2.8
231.07564	3.0
231.11153	0.6
233.09207	1.1
236.09303	1.0
237.10132	0.6
237.13918	1.9
239.08121	0.6
239.11806	0.7
239.15355	0.7
240.12651	1.6
241.09795	0.6
241.13358	1.3
241.16997	4.3
243.07643	9.5
243.18536	0.8
244.08592	1.0
245.09248	2.6
246.07545	0.9
247.10696	0.6
249.11479	0.7
251.11804	2.0
253.13339	1.9
254.14204	2.9
255.14885	3.2
257.05597	0.9
257.09201	5.0
257.16476	18.6
259.07208	2.8
259.10870	1.2
261.08575	2.6
262.06967	0.7
265.13339	11.7
266.13898	1.0
267.14865	0.6
269.16473	16.6
269.19312	0.9
271.07144	5.6
271.18045	20.0
272.07928	2.2
273.08701	14.9
275.10300	0.8
277.13333	1.7
277.16721	0.8
279.09872	1.2
279.14917	1.5
280.15732	2.8
281.16476	2.9
285.08694	6.4
286.09671	0.6
287.10236	5.6
288.07422	0.7
289.08167	9.5
290.06512	0.7
290.13779	0.7
291.15103	0.6
295.17966	1.3
297.08713	0.9
299.06622	1.5
303.09735	23.9
305.16437	2.0
309.15729	0.8
313.08383	3.2
313.19077	11.9
315.09726	7.4
317.07645	2.9
317.11057	1.1
323.17538	36.1
324.17776	1.4
325.19064	2.2
331.09293	4.6
333.10818	0.7
335.08557	1.2
338.18671	3.2
339.11887	3.2
339.19318	1.2
340.20163	4.4
341.07648	3.2
345.10806	7.0
349.10321	9.8
359.08737	5.8
363.11856	11.4
373.10339	1.8
377.09741	6.6
391.11362	11.5
392.11633	0.7
393.13147	1.6
405.12900	9.3
405.17755	0.7
436.18430	0.7
440.17935	0.8
464.18372	1.2
482.19098	3.7
494.18991	2.8
496.20721	1.8
501.17020	1.3
514.21881	13.7
515.22113	0.9
524.44653	0.6
526.21991	3.2
585.27197	1.1
587.24664	0.9
611.24927	3.7
625.26788	0.6
629.26086	12.7
643.27271	5.0
661.28674	44.8
662.28839	1.7
676.26434	0.9
737.59808	0.5
823.32422	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	6.1
61.02921	4.3
67.05505	32.5
69.03429	3.1
69.07066	11.1
71.04992	4.1
79.05490	23.1
81.03404	8.8
81.07055	36.4
83.04990	4.0
83.08615	9.2
83.13127	1.8
85.02897	7.8
91.03962	3.4
91.05482	14.8
93.07044	28.0
95.04961	7.0
95.08601	10.5
97.02890	3.8
97.06533	6.9
97.10148	2.3
99.08141	2.1
105.07030	11.0
107.08588	16.2
109.06547	2.5
109.10180	5.4
111.08140	2.2
117.07038	6.6
119.08577	6.2
121.10138	9.0
123.11732	2.4
126.73734	2.0
128.06378	1.7
129.07013	4.6
131.08559	8.1
133.10133	10.9
135.08037	3.2
135.11687	5.9
143.08566	2.0
145.10129	2.4
149.09595	2.1
149.13287	9.1
153.22806	1.8
157.10117	2.6
159.11725	5.2
173.04506	2.0
177.12784	1.8
193.12372	2.0
195.13828	4.9
229.14380	1.8
247.08417	1.8
267.15881	4.9
269.17450	20.6
353.24582	2.4
389.26773	2.4
445.29590	14.5
446.29388	2.2
463.30597	100.0
464.30649	3.8
481.32059	2.3
557.34058	2.3
607.35278	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	822.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	21.9
57.07080	3.5
59.05002	6.1
61.02920	3.1
65.03949	5.3
67.05506	100.0
67.05871	4.8
69.03429	10.3
69.06723	3.4
69.07069	43.9
69.48281	21.2
71.01324	2.5
71.04996	10.9
72.75141	2.7
73.02934	2.7
77.03924	3.5
79.05494	69.5
81.03416	97.2
81.07053	71.9
83.04990	15.0
83.08604	26.8
85.02901	8.8
85.06528	7.5
87.04462	2.5
91.03898	2.2
91.05476	68.5
91.68459	2.0
92.22323	2.1
93.07042	58.0
95.04966	46.1
95.08604	40.0
97.02880	10.4
97.06521	17.6
97.10175	14.0
99.04484	2.3
99.08104	3.2
103.05453	2.5
104.18307	2.2
105.07028	47.6
107.04972	17.1
107.08592	33.4
109.06550	10.9
109.10150	49.7
111.04433	5.4
111.08066	11.0
115.05463	4.0
117.07019	16.0
119.08582	34.7
121.06519	7.2
121.10121	21.1
123.04436	3.2
123.08058	9.7
123.11691	4.7
125.09634	15.1
127.03951	2.8
128.06209	2.2
129.06976	14.8
131.08560	22.8
133.06467	5.3
133.10132	20.4
135.08104	5.3
135.11725	12.5
137.09602	11.3
141.06995	2.9
142.07787	2.7
143.08516	4.1
145.06474	5.2
145.10120	12.7
147.08041	6.3
147.11661	16.3
149.09648	21.6
149.13251	6.2
151.11217	4.6
155.08588	3.6
157.10147	11.2
159.11684	8.2
161.13315	5.5
163.11180	16.6
165.12737	2.8
169.10091	3.3
171.11647	6.3
173.11743	14.6
173.13133	4.3
175.11171	13.6
177.12726	2.9
179.14305	2.7
183.11662	3.0
184.66306	2.1
185.09612	2.6
187.11159	2.8
189.11241	5.4
189.12784	3.8
191.10690	4.7
193.12225	30.6
199.13177	3.0
211.13300	4.6
225.14780	4.3
227.12761	12.0
229.14313	32.1
229.19412	3.1
243.15942	3.6
249.14827	5.0
255.15939	6.8
267.15924	75.7
269.17471	5.8
273.18509	4.3
275.19971	13.8
291.19522	8.3
316.22479	3.1
329.21179	6.2
343.22845	2.3
349.23761	17.0
365.23059	4.0
421.25919	21.6
423.27109	3.9
429.26306	2.7
435.27423	4.3
447.27567	19.2
461.28683	2.9
541.35168	26.6
559.36053	7.0
610.37311	2.9
628.38141	4.3
660.41162	4.6
711.13074	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	822.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	5.4
57.07070	0.9
59.68053	0.8
61.02927	6.4
65.03930	1.2
67.05505	30.3
69.03445	1.2
69.07069	10.3
69.36861	0.8
70.06587	1.0
71.04987	3.1
71.58773	1.5
73.02908	2.1
73.88567	0.8
79.05491	22.6
80.07792	0.9
81.03416	6.4
81.07056	44.0
83.04533	1.0
83.04987	3.9
83.08624	9.9
85.02919	8.1
85.06564	2.4
91.03954	4.3
91.05479	15.4
93.07045	32.5
95.04964	5.7
95.08607	11.1
97.02891	3.0
97.06532	6.1
97.10161	1.5
99.04446	0.9
99.08091	1.8
105.07040	8.2
107.04964	2.6
107.08599	16.3
109.06516	3.1
109.10147	3.5
111.08096	3.4
113.09571	1.3
117.07027	6.9
119.08576	4.7
121.06512	2.7
121.10147	8.6
123.08057	1.7
123.11739	1.7
125.09634	1.2
127.03919	2.4
129.06958	2.2
131.08574	6.4
131.83722	0.8
133.10139	9.2
135.08022	1.6
135.11702	6.3
137.09602	1.0
141.06984	1.1
143.08565	2.3
145.04935	2.0
145.10130	3.6
147.08060	0.9
147.11684	1.9
147.70972	0.9
149.09662	2.4
149.13260	11.9
151.11131	1.0
155.08580	0.9
157.10187	1.6
159.08212	1.0
159.11684	6.6
162.37222	0.9
163.06090	1.5
171.11638	1.8
177.12775	3.2
193.12259	1.4
195.12077	1.2
195.13776	7.7
199.94907	1.1
213.14767	1.2
229.14418	1.0
251.16399	1.0
267.16052	2.8
268.33829	1.1
269.17456	24.7
277.09421	0.9
298.91113	0.9
306.24814	1.0
330.60852	1.1
344.28189	1.0
353.24713	1.1
371.25836	1.2
389.26892	1.5
413.21762	1.3
445.29514	13.5
463.30554	100.0
464.30890	3.6
557.34381	1.5
607.34900	6.9
816.89093	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	4.0
57.07071	0.5
61.02926	2.9
65.03941	1.1
67.05505	27.1
69.03429	0.8
69.07069	8.5
69.55500	4.3
71.01352	0.9
71.05003	2.5
73.02899	1.0
79.05493	15.9
81.03417	1.7
81.07059	33.0
83.04986	3.6
83.08619	6.7
85.02912	4.0
85.06541	2.7
91.03952	1.7
91.05478	8.4
91.63136	0.5
93.07044	26.3
95.04951	3.3
95.08603	9.1
97.02889	2.3
97.06529	5.7
97.10144	1.2
98.20747	0.9
99.04447	0.8
99.08106	1.7
105.07054	4.2
107.08602	13.9
109.06505	1.2
109.10152	2.4
111.08077	3.6
113.05865	0.5
117.07008	4.1
119.08580	1.7
121.06499	1.0
121.10152	9.7
123.11714	1.1
125.09572	0.5
127.03948	0.7
131.08577	4.3
133.10149	3.5
135.08080	0.9
135.11678	4.2
143.08636	0.7
145.04974	0.9
147.11659	1.2
149.09669	0.7
149.13264	15.8
151.11197	0.8
159.11699	8.1
163.05994	1.2
163.11215	0.6
177.12717	3.8
193.12233	0.6
195.13853	4.9
212.63834	0.6
213.14897	0.8
227.12802	1.0
229.14336	0.7
269.17480	46.6
270.17917	0.9
275.20148	0.6
293.74588	0.6
349.23541	0.6
463.30548	100.0
464.30981	2.5
472.31647	0.5
607.35010	0.8
775.06903	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	17.8
57.07068	1.3
59.04996	1.6
61.02927	75.1
65.03952	3.2
65.63592	1.3
67.05171	3.1
67.05505	34.3
68.86785	1.4
69.03430	26.1
69.07069	9.7
69.20322	1.6
69.35580	3.9
69.35994	12.0
71.01360	4.1
71.04984	4.7
73.02924	19.9
79.05489	22.7
79.45165	1.6
81.03417	26.9
81.03862	2.4
81.07058	33.4
82.39042	1.4
83.02228	1.4
83.04992	3.6
83.08618	4.3
85.02905	100.0
87.04458	3.1
91.03954	55.1
91.05477	17.7
93.07049	26.3
95.04974	6.3
95.08609	24.3
97.02890	69.6
97.06525	2.9
99.04446	13.7
101.02386	4.7
101.48097	1.7
103.03941	10.3
105.07038	12.8
107.04952	1.8
107.08599	16.0
109.02879	10.2
109.06526	2.6
109.10149	15.4
111.04461	4.2
115.03931	5.9
117.05533	2.4
117.07036	5.2
119.08572	8.1
121.10139	12.6
123.08064	1.3
123.11723	4.4
125.09591	2.4
127.03915	32.2
129.05521	3.3
129.07031	2.1
130.40794	1.3
131.08586	9.0
133.10124	10.1
135.11708	8.1
137.09628	2.4
137.13290	1.9
139.03915	2.1
145.04967	29.0
145.10130	8.0
147.11707	5.6
149.02370	4.2
149.09613	1.9
149.13235	7.4
155.08562	2.0
157.10164	2.1
159.06557	2.4
159.11711	7.7
161.13304	4.6
163.06007	15.8
163.11191	2.2
163.14784	2.1
171.06583	1.8
171.11690	2.3
173.13307	5.3
175.14827	2.7
177.16354	2.1
179.14326	1.8
183.06570	9.1
185.13200	1.8
187.14807	3.5
193.04807	1.5
201.07625	5.9
209.13335	2.0
226.34991	1.5
228.23402	1.5
243.21063	5.5
259.20416	2.2
261.22153	17.6
276.04321	1.7
315.23065	1.8
327.23199	2.3
335.25797	47.5
345.24475	1.9
348.46136	1.9
351.22943	2.0
363.25381	3.8
369.24341	6.0
377.26965	3.9
387.25177	2.3
443.28131	4.2
461.29022	3.4
479.30099	8.3
497.31088	3.1
581.85474	1.6
822.36560	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	21.6
61.02902	7.8
67.05510	100.0
69.03428	16.3
69.07072	27.4
71.04999	10.3
71.58855	10.9
73.02924	6.8
79.05493	82.0
81.03419	34.6
81.07054	89.5
83.04975	15.6
83.08624	20.9
85.02910	11.7
87.04508	6.3
91.05482	77.3
93.07050	68.5
95.04962	49.8
95.08620	43.8
97.02895	15.5
97.06537	32.3
97.10165	15.3
105.07032	74.6
107.04974	29.9
107.08592	39.0
109.02885	7.6
109.06511	19.4
109.10146	29.4
111.08085	8.7
113.06004	11.3
117.07021	37.9
119.04945	6.2
119.08596	47.7
121.06493	12.9
121.10145	22.2
123.04436	11.1
123.08050	8.7
125.09628	16.6
128.06198	8.7
129.07025	21.2
131.08617	42.0
133.10136	43.2
135.08026	21.4
135.11743	17.0
137.09622	10.7
143.08597	15.6
145.06561	6.7
145.10121	38.2
147.08041	14.7
147.11696	19.8
149.09637	16.3
155.65161	8.2
157.10129	18.2
159.07930	7.5
159.11705	23.7
161.09621	12.0
161.13254	9.7
163.11195	14.2
171.11691	18.0
173.04468	7.9
189.11208	8.6
205.12257	7.7
217.15854	6.5
223.13208	9.4
227.12830	8.2
241.19383	6.6
257.19037	9.0
273.18573	22.9
275.20038	50.5
291.19525	68.0
333.24228	16.0
349.23755	20.2
365.23413	17.9
412.16113	7.1
548.28833	7.7
559.36206	15.2
620.06799	6.7
639.42456	30.1
657.43201	12.1
819.48297	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	818.6196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	33.2
69.29523	9.0
69.29925	71.7
70.19946	6.0
71.08633	32.4
73.06555	10.2
85.10177	12.4
86.79515	7.0
87.04469	11.1
89.06026	100.0
98.20735	12.7
103.91220	6.0
121.39180	6.1
133.08611	53.6
137.87660	6.7
166.30940	7.1
177.11264	14.9
708.89355	7.5
785.98242	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	819.4884
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	24.1
67.05508	100.0
69.03432	43.5
69.07056	28.6
71.04994	11.2
73.02910	7.9
79.05485	67.1
81.03418	71.2
81.07054	65.2
83.04939	11.9
83.08611	15.2
85.02926	15.8
91.05485	63.5
93.07038	59.5
95.04964	27.9
95.08609	48.0
97.02889	32.6
97.06512	14.0
97.10147	27.1
98.20715	14.5
105.07030	66.6
107.04955	10.6
107.08591	33.6
109.02862	10.2
109.06533	8.6
109.10168	46.6
111.04438	7.8
117.07012	25.9
119.08578	45.1
121.10128	20.3
125.09622	21.2
127.03898	23.5
128.06255	8.3
129.06978	21.4
131.08553	28.5
133.06444	6.6
133.10127	24.5
135.08104	7.9
135.11627	11.6
137.09636	8.5
141.06924	10.0
143.08575	24.7
145.06532	9.6
145.10114	25.1
147.11676	24.5
149.09576	10.2
155.08545	10.4
157.10112	17.8
159.11653	27.5
161.09743	7.4
163.11137	8.7
169.10153	17.8
171.11714	21.0
173.04437	22.0
173.11787	7.8
173.13217	11.8
183.11559	7.0
185.13174	7.8
193.10043	7.5
197.13297	7.4
209.13367	7.6
214.12059	6.7
229.14374	20.5
241.19629	8.5
259.20465	9.0
275.20123	36.1
291.19806	9.7
300.68304	6.9
322.02396	7.8
333.24438	8.8
376.79633	8.2
459.42432	6.9
541.35303	23.6
639.42731	13.4
750.33630	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	813.4906
Annotation	Glabrin C
Peak:m/z	Relative Intensity
58.87062	14.4
69.25140	65.2
69.25574	100.0
70.40257	15.5
97.88035	13.4
122.92034	13.3
148.70613	14.0
150.49925	15.9
246.11897	16.8
401.39487	15.8
463.96786	14.9
628.23987	15.7
813.49048	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	814.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	8.7
57.07055	2.9
57.14801	2.9
60.51480	2.8
61.02918	10.4
65.03927	3.5
67.04245	4.1
67.05502	39.4
68.05041	3.1
69.03433	9.7
69.07053	12.5
70.06596	3.7
70.22183	12.1
70.22533	5.3
71.05005	6.5
71.05374	2.6
73.02908	5.7
74.06080	66.9
79.05490	45.4
79.96822	3.5
80.05016	7.8
81.03419	25.0
81.07050	35.0
82.06572	74.8
83.04965	21.1
83.08604	8.9
85.02899	13.1
85.06564	5.4
91.03954	5.9
91.05479	44.6
93.07044	46.3
94.06567	72.8
95.04980	15.2
95.08582	17.7
96.04493	4.0
96.08142	8.9
97.02892	13.4
97.06557	5.1
97.10155	3.0
98.06064	3.6
100.07610	7.8
103.05450	3.5
103.95623	2.7
105.04485	3.3
105.07028	46.5
107.04984	5.7
107.08588	23.4
108.08118	9.8
109.02800	3.4
109.06544	3.3
109.10149	11.0
110.06058	5.7
112.07587	2.9
115.05476	3.8
117.07025	11.8
119.08579	35.7
120.08125	7.2
121.10139	14.4
122.06011	4.2
123.08096	4.5
125.09620	4.4
128.07056	3.7
129.07016	10.9
131.08546	21.3
132.08083	5.5
133.10121	25.2
135.11684	6.3
136.07564	18.5
139.03888	3.4
142.07790	3.5
143.08549	6.5
145.10153	9.2
147.10651	2.8
147.11652	16.1
149.09720	4.5
149.13235	4.2
157.10092	9.3
159.11757	7.3
161.13260	9.6
171.11703	5.1
173.13289	3.5
175.11292	3.6
175.14725	5.8
185.13145	4.5
186.97260	3.3
193.12248	8.6
202.15895	4.6
211.13245	4.4
220.16917	31.4
230.15442	13.1
238.18053	5.6
241.19521	7.7
248.16463	84.5
259.20627	22.6
266.17551	10.9
266.56790	3.0
267.15851	18.4
278.17706	3.8
304.19186	4.0
322.20233	3.8
333.24039	20.0
340.21268	5.4
445.51724	3.0
451.32126	3.9
525.35413	6.6
543.36810	22.5
598.40955	30.1
616.42065	26.0
634.43048	100.0
635.43622	5.6
735.59399	3.0
778.47107	4.6
796.34601	5.5
796.48401	83.3
797.47803	5.1
814.41791	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	813.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.9
61.02928	0.6
68.99777	0.7
69.03428	6.8
70.06611	0.4
71.04992	1.1
73.02896	0.6
81.03417	3.9
82.28336	0.3
85.02901	7.6
87.00826	2.5
87.04458	1.1
88.61868	0.3
97.02885	4.2
99.04472	1.6
105.01860	2.0
107.04915	0.3
109.02876	4.1
111.00758	0.5
115.03925	1.4
117.01837	0.4
121.02886	1.6
123.04412	0.6
127.03912	5.5
129.01868	0.5
133.05042	0.5
137.02292	0.4
139.03874	0.7
145.04945	2.2
153.01840	2.4
153.95906	0.4
159.02888	2.2
163.03995	0.4
165.01868	0.8
183.03001	0.4
213.05460	0.8
231.05009	1.4
241.04924	0.7
246.93668	0.3
257.04526	0.4
258.05243	0.6
259.05942	0.4
270.05716	0.4
287.05493	100.0
288.05801	1.7
299.05283	0.5
307.69901	0.4
325.30576	0.3
329.06442	1.4
397.86432	0.4
419.09647	0.9
433.11322	14.0
535.10754	0.5
600.91272	0.4
621.83142	0.4
627.22974	0.3
802.66357	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37309	1.6
57.03191	1.6
57.03444	10.5
59.05009	2.1
59.37462	1.7
59.73734	1.7
61.02929	16.2
65.03938	3.4
67.04230	5.4
67.05501	27.7
68.37725	1.5
69.03433	10.9
69.07059	9.5
70.06578	2.6
71.04977	7.9
71.58268	1.4
71.58628	2.4
73.02900	5.9
74.06083	19.4
79.05482	27.3
80.05006	4.2
81.03416	84.3
81.05769	2.0
81.07047	25.0
82.06577	86.0
83.04978	16.9
83.08617	22.6
84.08109	2.6
85.02902	19.1
91.03948	5.5
91.05474	33.4
93.07034	24.7
94.06565	100.0
95.04967	30.9
95.08585	13.8
96.08148	8.8
97.02893	15.7
97.06527	5.0
97.10167	3.5
98.06049	4.4
100.07587	3.7
101.76607	1.6
105.07021	23.1
105.16970	1.8
107.04958	7.8
107.07309	2.7
107.08581	9.1
108.08100	15.1
109.02872	1.9
109.06512	3.6
109.10141	4.0
110.06046	7.8
110.40395	1.5
111.04424	1.8
111.08095	9.3
113.05989	1.8
114.09148	4.2
115.05391	1.8
117.07002	4.3
119.08565	16.5
120.08103	11.2
121.06485	4.9
121.08861	2.5
121.10135	12.3
122.06009	7.7
122.09612	2.6
123.04482	1.8
123.08037	3.5
123.11681	1.6
124.07545	4.4
125.09623	2.6
127.03907	2.1
128.07065	3.4
129.07004	8.9
131.08600	12.4
132.08064	4.8
133.06573	3.8
133.10092	8.6
134.09641	5.1
135.08011	2.3
136.07590	12.8
137.08463	1.4
137.09579	2.5
138.09149	1.7
139.11232	2.3
142.07799	3.4
143.08556	2.4
144.08070	3.1
145.10088	3.3
146.04637	1.5
146.09650	3.2
147.08052	2.8
147.11665	12.0
148.07579	3.1
149.09616	9.8
150.09117	6.2
151.11171	2.4
152.07109	3.6
157.10097	10.2
164.10733	2.2
165.12752	3.6
167.07057	2.0
173.09583	2.1
175.11172	9.3
184.13284	2.9
193.12215	21.7
202.15884	5.3
211.13356	3.6
212.14360	3.0
220.16940	40.4
230.15424	15.6
238.18005	6.4
248.16443	81.4
249.16768	3.2
259.15396	3.4
262.17801	3.2
266.17529	6.8
267.15915	73.7
274.17947	6.1
274.22153	1.7
276.19492	1.9
278.17575	4.7
285.16638	2.1
286.18359	2.1
292.19202	2.2
294.20566	3.0
304.18967	7.3
322.20050	6.3
340.21106	5.8
385.23746	3.7
403.24911	3.1
422.26993	3.2
440.27921	2.7
451.26782	2.9
459.27399	37.2
477.22086	3.0
477.28467	31.5
504.33206	2.7
509.30612	2.2
514.31500	11.4
532.32678	43.8
533.33136	1.8
546.34155	6.8
550.33936	15.1
564.35712	11.8
568.34863	24.0
574.33270	2.7
600.37177	2.5
666.37219	1.9
676.37231	2.5
694.37494	7.1
712.38873	4.7
726.40356	5.3
730.40021	44.2
744.40491	5.7
762.29761	2.3
762.42627	35.1
776.43585	2.6
780.42694	6.1
794.44897	26.8
812.46362	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	809.4302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.1
60.15514	1.4
61.02932	5.3
67.05503	8.4
69.03439	4.1
69.07056	2.2
71.04995	2.3
71.59082	2.7
73.02921	5.1
79.05501	4.7
80.05820	1.7
81.03428	5.5
81.07062	6.9
83.08636	2.2
85.02911	5.8
91.03961	4.7
91.05486	9.1
92.47890	1.5
93.07063	4.2
95.04984	3.8
95.08633	4.4
97.02913	4.9
101.02396	3.5
101.17906	1.6
105.07047	4.1
107.08608	3.5
109.10184	2.0
119.08580	3.7
121.10135	3.8
129.07001	3.3
131.08630	3.1
133.10156	3.2
149.09641	2.1
161.60916	1.5
175.11250	1.9
193.12283	4.3
199.82922	1.5
243.08490	3.0
253.98285	1.9
283.15210	4.5
285.10144	1.8
331.18872	2.7
451.19440	2.2
501.23041	21.3
531.25702	3.1
549.26953	5.6
639.29907	2.4
711.35333	4.9
791.41913	12.5
809.42737	100.0
810.43091	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.4
58.73000	0.5
58.74712	0.5
59.05008	0.8
61.02927	4.8
64.89439	0.5
65.03938	0.9
67.05502	5.3
69.03429	4.2
69.07076	3.1
71.04992	2.1
71.50456	1.1
73.02925	3.3
79.05486	5.2
81.03416	6.5
81.07056	6.1
83.04980	0.9
83.08613	1.4
85.02910	5.2
87.04441	1.3
91.03969	2.7
91.05492	5.0
93.07033	4.0
95.04984	2.3
95.08599	2.6
97.02892	4.6
97.06544	0.8
101.02396	2.0
103.03958	0.7
105.07063	3.6
107.05008	0.6
107.08607	2.8
109.02892	1.0
109.10147	0.8
117.07040	1.0
119.08610	2.4
121.10138	3.4
123.08082	0.6
127.03931	1.9
129.07028	0.8
131.08582	2.2
133.10147	1.6
135.11670	0.9
145.26445	0.5
147.08081	0.6
147.11703	1.9
149.09657	2.3
156.01700	0.5
157.10191	1.2
165.12889	0.6
168.30174	0.6
175.11205	1.4
184.07440	2.1
185.04250	1.1
193.12331	2.3
197.15388	0.6
205.85779	0.5
211.13348	0.7
225.14754	0.7
243.08401	3.7
243.39638	0.5
265.79330	0.6
267.16003	0.7
274.88257	0.5
283.06354	1.4
283.15262	3.3
301.07596	0.9
330.63754	0.5
333.20450	1.9
339.17749	0.9
356.21179	0.5
409.57562	0.6
439.19284	1.2
469.20438	1.3
501.23090	15.0
502.24036	0.7
551.28430	8.7
721.37567	1.1
811.44440	100.0
812.44794	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	806.489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	21.0
61.02915	2.2
65.03923	3.6
65.32981	1.7
67.05504	76.3
67.05874	3.6
69.03431	10.6
69.07067	29.3
70.55240	7.4
71.01333	2.1
71.04992	9.8
73.02911	2.9
79.05492	68.8
81.03416	100.0
81.06584	3.8
81.07054	74.7
83.04977	14.3
83.08620	31.9
85.02885	5.7
85.06535	3.4
88.39832	1.9
91.05476	60.3
93.07040	59.1
95.04961	40.4
95.08598	32.8
97.02871	5.6
97.06524	15.0
97.10175	19.5
98.21408	1.9
99.08076	3.6
103.05435	3.1
105.07028	49.4
107.04971	16.7
107.08599	40.2
109.02863	2.2
109.06514	13.6
109.10152	19.2
111.04420	3.8
111.08115	10.9
111.08732	2.5
115.05412	4.4
117.07020	20.0
119.04979	2.2
119.08584	36.0
121.06505	13.2
121.10136	23.5
123.04350	2.8
123.08057	4.1
123.11717	4.5
125.09628	18.6
128.06223	3.3
129.07008	20.4
131.08571	26.8
133.06476	8.2
133.10132	29.6
135.08092	8.9
135.11691	15.5
137.09607	7.4
141.06963	3.0
142.07774	3.5
143.08527	8.1
143.52342	1.6
145.06497	6.1
145.10133	21.7
146.90199	1.6
147.08022	9.2
147.11699	17.4
149.09604	14.5
149.13228	7.6
151.11078	2.3
153.09079	2.8
155.08554	5.9
157.06462	2.1
157.10123	17.0
159.11667	12.6
161.09587	4.4
161.13260	4.4
163.11160	11.6
165.12741	2.5
169.10188	4.6
171.08051	2.6
171.11668	5.2
173.04588	1.6
173.06055	2.0
173.09586	3.8
173.11813	2.4
173.13258	4.3
175.11172	12.0
177.12708	4.1
179.14359	2.8
181.12198	2.4
183.11647	3.6
183.46188	1.9
185.13228	4.2
187.11192	3.0
189.11189	8.0
193.12245	22.1
195.11665	1.9
195.13794	3.7
197.13269	4.3
211.13213	4.3
217.15799	4.1
223.13327	2.3
227.12776	12.1
229.14317	4.9
235.13197	2.2
239.17824	2.0
247.20657	2.0
249.14748	2.6
255.15981	14.6
257.18967	6.3
267.15909	81.7
268.16183	2.1
269.17474	26.0
273.14975	1.9
273.18509	4.2
275.20062	27.0
291.19559	3.5
349.23724	20.1
351.22964	3.1
367.24841	3.5
369.24365	4.7
385.23700	2.2
387.25824	2.2
421.25684	3.0
443.27972	10.9
447.27368	30.0
461.28967	81.6
462.29260	4.7
467.31677	3.4
475.30234	2.3
493.31680	11.5
501.31754	2.0
523.34070	2.6
541.35284	48.2
559.36322	20.4
569.31067	1.9
572.77850	1.8
573.37592	2.7
675.63580	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	23.7
59.04984	7.4
61.02925	7.0
61.75978	2.7
65.03920	3.1
67.05505	100.0
69.03417	9.5
69.07070	26.8
69.87775	4.9
69.88181	17.5
71.04993	15.1
77.99292	3.0
79.05492	67.8
81.03420	81.3
81.07060	79.6
83.04982	12.4
83.08623	27.0
83.64571	3.1
85.02895	13.3
85.06531	4.8
87.04467	4.6
91.05482	77.4
93.07038	65.7
95.04971	37.5
95.08601	41.5
97.02870	10.6
97.06511	13.0
97.10155	12.8
98.21512	3.3
99.04491	2.9
99.08073	3.6
101.06055	3.0
103.05499	3.8
105.06392	5.1
105.07038	63.8
107.04954	14.3
107.08588	36.1
109.06509	8.6
109.10151	35.4
111.08083	9.3
114.34795	2.9
115.05452	4.7
117.07020	23.1
119.04922	3.3
119.08595	45.1
121.06498	9.1
121.10140	23.2
123.08080	5.5
123.11681	6.3
125.09631	12.9
129.05469	4.2
129.06995	19.7
131.08568	32.4
133.06546	3.4
133.10124	30.7
135.08047	7.7
135.11681	8.2
137.09570	4.7
141.06908	3.3
142.07765	4.2
143.08540	14.3
145.10103	24.3
147.08064	8.0
147.11681	24.5
149.09618	15.1
149.13258	10.5
151.11127	3.2
155.08527	5.9
157.10130	26.5
159.11716	18.5
161.09592	4.0
161.13194	4.2
163.11156	5.9
169.10168	4.8
171.11647	12.6
173.09596	3.5
173.11783	8.0
173.13280	7.1
175.11186	8.9
177.12787	4.4
183.11736	6.4
185.13171	5.1
187.14845	4.6
189.11185	8.2
193.12245	18.1
195.13834	3.7
199.14812	5.1
207.20909	3.3
211.13292	13.6
211.15062	3.1
227.12744	11.5
229.14140	15.7
249.14729	4.5
257.19128	5.4
259.20599	10.0
267.15933	47.2
269.17453	8.6
275.20062	11.5
285.17139	4.2
291.19379	3.3
299.23798	3.4
333.24460	3.4
349.23657	7.0
369.24384	4.5
387.25308	4.0
421.25421	3.7
433.30902	3.4
439.26816	5.9
443.27814	4.3
451.32065	5.7
461.28815	17.9
493.31476	5.4
525.35767	22.2
541.34851	3.9
543.36725	30.6
553.92743	3.5
559.36621	4.9
570.69067	3.3
575.39178	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	804.6038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	32.6
69.07067	4.1
71.08244	1.6
71.08633	30.1
73.02937	1.7
73.06551	8.8
83.08612	4.1
85.10183	18.2
87.04482	13.9
89.06033	100.0
97.10152	5.9
97.99859	1.4
98.20803	3.2
99.11726	3.6
107.07076	7.7
111.11705	2.6
117.09136	14.1
118.60847	1.3
125.13279	2.9
127.14766	1.5
130.08632	3.3
131.07040	3.7
133.08600	56.4
134.54857	1.4
161.11818	2.4
175.09630	1.9
175.88506	1.7
177.11223	21.1
197.22586	2.5
221.13963	2.6
229.31099	1.6
241.25221	1.6
283.17535	2.3
285.27856	7.1
300.41635	1.6
329.30515	2.9
389.65372	1.7
410.34695	1.5
459.27780	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	28.3
59.13180	7.8
67.05511	72.9
68.28339	8.6
69.07051	11.7
71.33378	19.6
79.05492	35.7
80.06582	8.3
81.03405	11.3
81.07062	60.2
83.04942	9.2
85.06552	9.9
91.05486	35.9
91.78064	8.7
93.07070	41.9
95.04980	79.5
95.08611	40.1
105.07047	25.7
106.25642	7.5
106.43583	9.1
107.08605	19.2
109.06532	64.7
109.10131	16.8
109.17480	8.8
113.06004	21.5
117.06995	15.3
119.08609	10.3
121.10194	14.2
121.21017	8.3
128.95959	8.8
131.08571	17.3
133.10059	17.6
135.08046	42.7
143.08569	13.3
145.10143	13.1
161.09694	11.7
168.17091	7.9
184.07399	13.8
190.27005	8.7
273.18530	36.4
291.19507	100.0
313.33417	8.5
335.25751	45.3
365.23306	18.1
470.29398	9.9
607.43561	10.5
625.44617	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	806.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	27.1
59.04991	5.4
61.02907	2.9
65.03933	5.2
65.84976	1.8
67.05504	100.0
69.03436	8.6
69.07056	19.0
71.04993	8.4
71.59167	2.3
73.02914	3.9
79.05065	3.4
79.05491	50.4
81.03417	81.4
81.07051	56.6
83.04975	24.3
83.08616	44.1
85.02900	36.0
85.06528	4.0
87.04462	5.6
91.05476	56.7
93.07041	33.8
95.04970	38.1
95.08609	21.4
97.02874	9.1
97.06547	9.7
97.10172	19.2
99.08056	2.8
103.03966	2.0
105.07029	30.4
107.04964	13.0
107.08582	20.4
109.06500	10.0
109.10153	57.2
109.10912	3.0
111.04422	4.1
111.08081	14.5
113.05984	3.1
115.05434	3.1
117.06998	5.4
119.04953	1.9
119.08581	32.2
121.06496	4.0
121.10140	17.4
123.04337	2.1
123.08047	6.0
123.11707	3.9
125.09615	12.5
129.05464	3.8
129.07002	16.1
131.08571	17.6
133.06471	3.0
133.10133	22.9
135.08035	2.4
135.11670	3.8
137.09605	6.4
142.07814	5.5
145.06509	1.7
145.10120	7.4
147.08084	3.9
147.11688	17.6
149.09575	8.5
153.12769	2.5
155.10654	2.6
157.10138	19.2
163.11203	8.9
165.12700	2.4
173.11763	19.3
173.13231	2.7
175.11163	16.7
181.12256	3.3
190.56679	1.7
191.10643	1.7
193.12241	66.5
199.13283	7.9
199.20866	1.8
209.11774	5.7
211.13283	92.1
227.12744	7.1
229.14348	50.2
253.14192	3.0
267.15939	29.0
283.15396	3.5
285.16977	62.1
285.20203	3.4
301.16449	11.6
391.24207	1.8
399.23840	16.2
409.25906	3.3
421.26035	10.2
439.26874	42.0
493.28006	3.7
511.29153	11.4
609.36206	32.5
779.87000	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	10.4
60.53568	1.0
61.02922	1.5
62.02892	1.1
67.05508	35.9
67.89375	1.3
69.03432	6.9
69.06721	1.7
69.07069	17.1
69.50975	2.4
69.51385	7.9
71.04998	1.9
79.05495	29.1
81.03417	62.0
81.06586	1.5
81.07059	25.5
83.04984	6.9
83.08616	18.6
85.02895	2.8
85.06543	3.4
91.05481	28.5
92.05799	1.1
93.07044	21.1
95.04964	22.9
95.08608	12.7
97.02890	7.2
97.06533	5.3
97.10175	11.9
98.21455	2.3
105.07025	20.8
107.04934	10.6
107.08603	14.0
109.06505	4.6
109.10146	12.0
111.04446	1.8
111.08085	4.9
112.31075	1.3
115.05445	1.7
117.06981	7.3
119.08580	16.5
121.06503	5.3
121.10106	6.8
123.08081	3.7
123.11703	3.0
125.09637	7.8
126.04830	1.2
128.06203	2.2
129.07025	10.8
131.08562	11.8
133.06506	4.3
133.10129	12.1
134.99606	1.3
135.08061	5.4
135.11700	3.3
137.09634	2.4
142.07788	3.1
143.08575	3.7
145.06511	1.8
145.10103	5.3
147.08069	6.1
147.11694	9.3
149.09621	6.4
149.13222	1.2
151.11205	4.2
157.10133	8.9
159.08064	1.6
159.11679	3.3
161.09634	3.1
163.11223	2.3
165.12839	3.0
169.12245	1.3
171.11623	1.4
175.11247	6.7
177.12743	1.4
179.10728	1.5
185.13225	2.0
189.09753	1.3
189.11237	5.6
193.12228	14.9
205.12279	3.5
211.13239	1.4
219.13826	4.2
223.13356	11.7
227.12744	8.5
249.14851	2.9
253.14400	8.9
267.15912	76.3
273.18481	10.4
291.19540	66.1
292.19778	1.4
308.09442	1.2
313.21686	3.4
321.04803	1.6
347.22186	2.6
365.23236	40.9
445.25812	5.5
459.27560	7.5
463.26605	2.9
465.29962	2.0
477.28381	4.2
483.30887	3.0
539.33630	8.3
557.34741	100.0
558.34918	2.3
575.35571	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	804.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	4.4
58.14986	0.9
61.02923	4.5
65.03954	1.1
67.05511	20.8
69.03424	2.9
69.07082	8.0
71.04999	2.7
71.58942	1.3
73.02908	1.2
79.05499	17.4
81.03424	9.4
81.07062	20.2
83.04980	2.6
83.08616	6.5
85.02905	5.7
85.06521	1.5
91.03947	1.3
91.05488	18.2
93.07042	20.3
95.04986	6.5
95.08606	12.3
97.02882	3.9
97.06514	3.7
97.10154	4.2
105.07034	20.3
107.04943	3.4
107.08594	9.4
109.06485	3.7
109.10156	7.3
111.04493	1.1
111.08049	1.1
117.07014	9.2
119.08573	14.2
121.06517	3.5
121.10124	6.9
121.93603	1.1
123.08085	1.7
123.11711	1.6
127.03873	1.2
128.06227	1.1
129.07008	6.1
131.08568	15.3
133.06435	2.1
133.10144	10.5
135.08035	2.3
135.11682	3.5
137.09619	1.3
138.21045	0.9
141.07027	2.3
143.08553	5.9
145.05072	0.9
145.10133	9.9
147.08067	2.6
147.11656	5.0
149.09604	3.2
151.11176	1.4
155.08537	3.3
157.10170	4.8
159.11714	4.5
161.13283	2.5
163.05952	1.3
163.11250	2.5
169.10123	3.5
171.11697	3.0
173.11809	1.7
173.13239	1.8
175.11128	1.3
177.12830	1.7
181.10109	1.8
183.11652	1.6
185.13275	1.0
187.14848	1.7
189.11177	1.8
193.12233	3.2
195.11638	2.3
197.13290	2.0
209.13318	1.5
223.34132	1.0
253.14470	1.1
261.18726	1.1
267.15793	7.3
273.18509	2.5
275.19983	2.4
291.19519	6.0
343.26263	1.4
353.24750	4.7
365.23242	3.6
371.25809	5.2
389.27020	4.9
445.29529	100.0
446.29840	4.8
463.30539	20.4
463.77255	1.1
464.30859	1.4
557.34985	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	804.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.5
57.07094	0.9
61.02936	4.3
67.05505	20.2
67.40054	0.8
69.03428	2.2
69.07075	5.7
71.04987	1.7
71.58717	1.2
73.02894	1.2
79.05492	13.7
81.03412	6.1
81.07056	16.8
82.07385	0.7
83.04992	2.0
83.08625	4.7
85.02900	4.8
85.06556	1.1
88.37572	0.8
91.03957	2.9
91.04967	1.4
91.05485	17.9
93.07050	15.2
95.04992	5.2
95.08604	9.7
97.02911	2.7
97.06522	2.5
97.10199	1.9
103.05475	0.8
105.07030	18.1
106.07362	1.1
107.04971	2.7
107.08595	8.6
109.06516	3.0
109.10165	5.8
111.08138	1.0
113.11991	0.8
115.05501	1.3
117.07003	7.7
119.08581	13.5
121.06508	2.0
121.10161	6.3
123.08085	2.1
125.09597	1.6
127.03883	1.7
129.07010	7.0
130.07857	0.8
131.08566	14.0
133.06499	1.6
133.10135	7.7
135.08081	2.3
135.11694	2.4
137.09628	1.4
141.07001	1.9
142.07822	1.0
143.08578	5.6
145.05002	0.9
145.06473	1.5
145.10133	8.6
147.08080	2.3
147.11720	3.4
149.09631	2.3
149.13275	1.2
151.11122	1.0
155.08559	3.6
157.10121	5.1
159.08052	1.0
159.11671	3.6
161.13248	0.8
163.06073	1.3
163.11211	1.7
167.08583	1.9
169.10164	3.4
169.61586	0.7
171.11722	3.0
173.11813	0.8
173.13251	2.1
175.11154	0.9
177.12766	0.9
181.10129	2.8
183.11688	2.7
185.13306	2.0
187.14853	2.1
193.12221	1.7
195.11662	1.9
197.13336	1.7
199.14751	1.3
201.12616	0.8
201.16341	0.8
209.13235	1.1
211.14810	0.8
213.12762	1.0
217.15866	0.8
267.15991	4.6
273.18417	1.3
275.20044	2.3
276.20459	1.7
291.19522	4.0
343.26434	1.1
349.23868	1.0
353.24780	3.9
371.25711	6.0
389.26730	4.8
395.54160	0.8
445.29514	100.0
446.29761	5.4
450.38394	0.9
463.30515	25.3
464.31052	1.6
490.88879	0.8
539.33838	0.8
557.34521	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	803.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	37.9
57.07063	4.6
59.05001	2.9
61.02916	13.8
65.03955	7.1
67.05505	96.7
69.03428	25.5
69.07066	37.2
71.04992	20.3
73.02919	6.6
79.05492	77.4
81.03424	21.7
81.07055	100.0
83.04967	8.5
83.08614	16.8
85.02896	22.7
85.06530	11.4
91.03947	5.8
91.05479	92.5
93.07040	85.6
95.04980	32.0
95.08609	65.8
97.02880	21.6
97.06516	29.7
97.10133	7.1
98.20619	7.3
98.51539	3.4
99.04444	7.5
99.08092	12.7
103.05455	5.7
105.07028	71.0
107.04938	10.4
107.08591	54.1
109.02878	6.6
109.06519	54.5
109.10120	21.4
111.04444	5.2
111.08060	11.6
113.06008	15.2
115.05417	6.6
117.07017	41.1
119.08587	54.3
121.06492	9.5
121.10134	30.2
121.81480	3.2
123.03030	3.1
123.08042	13.3
123.11718	5.4
125.05984	3.2
125.09627	7.4
127.03918	10.4
128.06232	10.4
129.07007	23.3
131.08551	50.0
133.06445	8.5
133.10104	34.0
135.08057	27.7
135.11702	21.2
137.09665	7.9
141.06998	11.4
142.07771	6.1
143.08546	35.5
145.06499	5.3
145.10121	40.4
147.08072	5.6
147.11662	20.1
147.96767	3.0
149.05971	3.6
149.09595	10.2
149.13245	8.4
151.11223	5.2
155.08524	29.6
157.10135	40.1
159.08049	14.3
159.11690	29.2
161.09621	13.7
161.13260	12.7
163.11147	10.8
165.06985	6.2
165.12846	5.8
167.08572	13.3
168.09361	5.0
169.10103	20.9
171.11717	20.4
173.09584	6.5
173.13251	16.9
175.11220	5.6
175.14838	5.1
177.12813	5.2
179.08669	6.7
181.10101	14.3
183.11674	24.8
185.09541	4.4
185.13226	20.6
187.11131	8.2
187.14798	9.5
189.12859	4.0
191.14183	4.8
193.10052	9.2
195.11674	19.0
197.13268	11.2
199.11165	7.4
199.14851	9.5
201.12746	9.8
201.16339	4.2
202.00032	3.4
203.14348	5.5
207.11742	6.7
209.13237	15.3
211.11258	3.2
211.14818	6.3
217.15924	7.2
221.13214	9.6
223.14861	9.7
225.16425	4.9
227.17896	3.5
229.39685	4.3
233.13303	6.0
235.14792	5.3
237.16368	5.2
239.18037	6.4
245.13281	4.9
249.16373	4.4
255.17450	4.7
257.18951	11.5
259.20618	8.2
265.19315	6.1
273.18521	32.2
275.20135	20.7
277.21582	11.5
291.19699	9.4
297.18719	4.0
297.22006	4.5
300.70786	3.4
313.21786	6.5
331.22565	4.3
333.24304	7.7
339.19421	3.6
347.22122	16.8
349.23871	12.5
351.25424	12.0
365.23404	7.2
373.23590	3.8
485.33023	4.1
513.36493	6.1
527.37000	5.6
528.03485	3.7
531.38031	6.0
537.35815	4.7
539.36847	5.5
549.39246	9.8
551.37689	5.5
555.36432	5.5
565.38300	6.3
567.39508	6.0
569.38354	9.6
605.41669	13.3
623.42877	49.0
625.44623	4.1
641.43762	29.0
749.45862	4.6
767.46228	4.4
785.48035	8.6
803.48749	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	803.494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	22.6
57.07073	4.9
59.37476	3.2
61.02914	10.2
65.03925	8.1
67.05506	100.0
69.03436	5.2
69.07067	24.7
69.30194	39.2
71.04980	6.1
74.06049	4.4
77.03914	3.5
79.05067	4.3
79.05496	65.8
79.76656	3.0
81.03428	17.7
81.07056	64.4
82.06577	3.6
83.04954	8.3
83.08622	10.6
85.02901	8.7
85.06544	11.9
91.03935	4.6
91.04971	5.9
91.05483	76.3
93.07044	61.1
95.04976	57.1
95.08601	49.7
97.02882	9.5
97.06554	18.0
97.10174	7.1
98.20656	5.7
103.05448	3.7
105.07034	55.2
106.07372	3.2
107.04988	16.9
107.08585	37.1
109.06516	56.2
109.10148	14.2
111.07993	4.1
113.05999	28.2
115.05425	4.3
116.06240	4.8
117.07029	28.7
119.08582	39.2
121.06483	12.5
121.10136	15.8
123.04428	3.9
123.08067	18.2
123.11720	4.0
125.09618	5.0
128.06200	8.3
129.07007	18.5
131.08575	43.3
133.06496	6.4
133.10144	31.1
135.08049	37.6
135.11678	16.9
137.09596	5.2
141.06967	9.2
142.07776	4.5
143.08546	21.5
145.06482	5.2
145.10126	28.8
147.08037	4.5
147.11699	19.2
149.09634	5.6
149.13252	6.6
151.11223	4.5
155.08557	4.9
157.10172	16.0
159.11734	26.4
161.09654	6.6
161.13268	11.7
163.11205	6.8
165.09074	3.9
169.10109	10.7
171.11661	21.0
173.13283	14.9
175.11211	3.5
175.14799	9.9
177.12706	5.3
179.08557	3.8
181.10097	6.8
183.11682	10.5
185.13261	5.8
187.11139	7.0
197.13295	9.6
199.14854	6.0
201.16307	4.7
213.16440	5.3
217.15843	7.9
241.14241	4.0
241.19579	5.4
257.19019	4.4
259.20593	9.8
273.18488	25.7
275.20010	11.3
279.15961	21.8
289.21918	3.4
291.19550	49.8
315.23230	4.8
327.26813	5.9
333.24280	25.8
347.22318	5.0
349.18359	3.2
349.23694	7.5
365.23251	14.4
371.26050	3.8
531.38086	7.4
543.36823	4.6
549.39203	5.8
605.41693	14.7
623.42975	87.2
641.43732	23.6
803.50934	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	803.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	10.2
57.07061	5.2
61.02933	8.4
65.03942	5.2
65.97048	4.9
66.55171	5.7
67.05170	11.3
67.05504	100.0
69.03426	16.4
69.07071	54.2
71.04987	11.3
71.58962	4.5
71.59356	6.2
79.05491	70.2
81.03410	33.9
81.07061	85.8
83.04971	20.5
83.08622	19.8
85.02888	21.0
85.06564	9.2
91.05478	77.4
93.07037	65.4
95.01340	6.0
95.04970	30.8
95.08616	48.7
97.02892	19.6
97.06521	51.7
97.10163	12.0
105.07024	75.9
107.04946	17.2
107.08604	44.0
109.06516	13.8
109.10152	32.4
111.08061	8.7
115.05454	6.4
117.07012	30.8
119.08600	55.3
121.10145	24.6
123.08119	7.0
125.09623	11.7
127.03870	6.6
129.05548	7.8
129.06995	16.8
129.45694	4.9
131.08591	41.8
133.10120	53.9
135.08076	15.7
135.11711	14.4
137.09622	9.2
141.06967	6.7
143.08562	19.5
145.10110	27.2
147.07983	6.4
147.11682	21.4
149.09648	17.0
149.13272	8.4
151.11136	12.3
155.08534	13.2
157.10136	13.5
159.11646	26.8
161.13319	11.7
161.92555	5.1
163.11212	14.8
167.08585	6.9
169.10121	11.4
171.11665	10.3
173.04420	9.3
173.11844	7.8
173.13258	19.5
177.12709	9.2
185.13252	7.2
187.14772	5.8
197.13402	10.5
199.14865	8.4
227.12787	20.1
229.14316	11.3
257.19031	13.3
263.17801	6.2
269.17407	5.8
273.18570	10.2
275.17276	7.9
275.20099	95.7
331.22919	6.4
349.23758	56.2
503.33325	7.1
513.13440	5.8
514.37042	5.8
543.36230	8.8
605.40942	8.2
623.43146	40.1
641.44000	16.1
785.47693	5.7
803.49030	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	803.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	20.8
61.02932	7.4
64.67081	5.1
65.03935	4.9
67.05512	100.0
69.03435	24.9
69.07065	43.8
71.04993	13.7
74.06068	9.8
79.05498	94.0
81.03426	41.7
81.07058	97.7
82.06578	11.4
83.04976	24.3
83.08196	4.2
83.08605	27.5
85.02912	11.0
85.06529	5.6
91.03949	4.8
91.04908	5.4
91.05477	89.2
93.07052	80.0
94.06555	7.4
95.04966	39.0
95.08614	67.5
97.02905	21.8
97.06535	38.8
97.10187	17.6
103.05502	8.2
105.07037	73.9
107.04929	29.7
107.08585	45.8
109.02881	12.6
109.06523	14.9
109.10155	38.9
111.08065	14.7
115.05459	6.7
117.07008	42.6
119.08588	55.2
121.06500	11.2
121.10159	33.8
123.08028	10.7
123.11740	9.9
125.09636	15.3
127.03915	11.7
128.06157	4.7
129.07002	17.0
131.08574	48.3
133.06476	6.3
133.10135	47.7
135.08043	18.4
135.11693	13.2
137.09619	7.7
139.11252	6.1
141.07066	6.5
143.08589	22.0
145.06543	5.9
145.10129	27.1
147.08049	8.2
147.11679	30.1
149.09602	21.9
149.13246	13.8
151.11195	7.1
155.08568	10.1
157.10193	22.3
159.11700	27.8
161.09593	6.4
161.13295	11.8
162.12726	5.3
163.03920	4.9
163.11183	22.5
169.10144	9.3
171.11682	12.8
173.04468	17.4
173.11838	8.2
173.13220	11.2
175.11292	5.3
177.05537	6.0
177.12781	7.4
183.11787	11.2
185.13264	5.1
189.11246	6.5
197.13199	10.4
209.13327	6.5
220.17017	7.1
223.14766	5.9
227.12761	10.7
229.14270	8.0
239.17940	12.1
247.20680	5.5
248.16408	8.6
249.16745	7.8
257.19049	19.6
267.15991	9.4
275.20065	82.4
291.19708	5.0
293.21048	5.6
340.29047	6.3
349.23749	56.1
513.36847	5.1
543.36578	24.3
607.03748	5.7
623.42865	27.4
641.43536	22.7
651.36975	5.2
687.41406	6.8
803.51263	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	803.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	12.0
57.07074	7.0
61.02920	10.8
65.03937	5.5
67.05177	6.3
67.05508	100.0
69.03432	28.3
69.07065	50.9
71.04982	11.1
71.08627	6.0
71.58973	4.4
71.59418	7.1
73.02900	7.8
74.06071	17.3
75.78994	4.0
79.05494	81.3
81.03422	38.3
81.07056	97.3
82.06573	18.2
83.04980	22.5
83.08621	26.5
84.08943	4.7
85.02901	21.2
85.06546	6.4
91.03936	5.8
91.04911	5.2
91.05475	87.9
93.07043	87.3
94.06550	14.0
95.04975	23.8
95.08608	61.1
97.02887	21.0
97.06528	40.7
97.10151	18.5
99.04440	8.3
105.07027	70.5
107.04967	27.1
107.08595	56.9
109.02893	8.4
109.06498	10.9
109.10146	40.2
111.04440	5.8
111.08097	8.9
115.05485	6.5
117.07007	31.5
119.08590	55.6
121.06498	7.9
121.10157	31.7
123.04391	5.6
123.08082	11.5
123.11656	6.3
125.09615	14.0
127.03921	10.0
128.06207	11.1
129.07005	28.8
131.08582	39.7
133.10127	45.6
135.08043	14.4
135.11707	19.6
137.09627	10.7
143.08551	20.1
145.06549	5.5
145.10136	29.8
147.11673	21.8
149.09634	31.2
149.13232	8.7
151.11235	6.3
155.08556	12.1
157.10143	11.0
159.11737	22.0
161.09599	8.6
161.13226	13.1
163.11157	11.6
167.08597	6.4
169.10112	13.5
171.11668	14.1
173.04466	10.9
173.13222	13.3
175.11195	7.2
177.12743	9.5
181.10138	6.5
183.11720	8.4
185.13281	6.7
189.11275	12.7
193.12242	7.3
195.11717	5.6
197.09535	5.3
197.13271	8.1
201.12698	4.8
211.69586	4.4
213.16394	7.4
217.15753	5.2
220.16910	8.9
223.14845	5.3
227.12808	15.4
229.14337	7.9
229.19476	7.8
239.18007	8.1
247.20570	6.3
248.16447	7.0
249.16727	5.7
257.18976	20.1
267.15768	10.8
269.17285	7.9
275.20065	99.1
293.21039	12.6
339.28915	11.1
349.23810	48.4
367.24734	6.3
387.50565	5.1
543.36639	13.8
623.42877	27.8
641.46509	28.6
785.47699	7.3
803.53223	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	803.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	18.4
59.57701	10.8
67.05498	84.3
69.03424	20.4
69.07067	47.1
71.05021	9.7
71.59077	16.2
71.59428	12.2
72.16097	9.4
72.99177	8.9
79.05501	95.4
81.03417	48.6
81.07059	100.0
82.76942	11.0
83.04990	11.7
83.08618	31.8
85.02921	25.5
91.05480	95.4
93.07030	86.0
95.04982	36.2
95.08611	58.2
97.02888	17.9
97.06515	17.6
97.10177	35.9
99.29858	9.5
105.07056	83.5
107.04944	18.0
107.08591	53.5
109.06569	19.1
109.10139	30.7
111.04430	14.5
111.08105	19.6
117.07008	34.9
118.55241	9.3
119.08582	70.1
121.06519	10.9
121.10123	27.8
125.09645	22.3
127.03899	15.0
129.07018	32.7
129.56308	9.9
131.08582	42.2
132.12779	10.8
133.10138	46.9
135.08086	19.3
135.11740	21.9
141.07033	13.1
143.08571	20.0
145.10138	32.0
147.11719	21.2
149.13261	12.7
155.08604	13.8
157.10175	16.4
159.11665	25.6
161.13261	20.2
167.08487	11.4
168.09348	13.9
169.10223	22.9
171.11725	16.9
173.13295	13.3
175.11230	11.4
175.14841	12.2
181.10043	13.1
185.13231	19.2
187.14719	15.6
189.11215	25.3
193.12294	13.4
195.11731	20.8
197.13312	13.4
199.14922	12.3
211.13309	13.9
221.13235	11.9
227.12794	26.0
259.20587	30.4
265.19061	11.8
267.15958	13.3
273.18588	15.7
275.20145	21.3
291.19446	74.5
333.24103	15.1
335.25641	16.6
336.20947	10.9
338.02567	11.7
342.47211	11.3
354.87540	11.8
365.23416	12.4
510.72180	14.3
524.71124	13.8
529.34814	11.7
543.36584	13.1
605.42224	22.7
623.42957	85.1
624.94135	12.2
641.43921	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	10.0
56.45382	1.3
57.03431	14.2
57.07058	2.6
61.02929	15.3
65.03925	2.8
67.04239	4.4
67.05502	52.9
68.05022	1.6
69.03432	8.6
69.07066	13.8
70.06593	3.3
71.04993	5.8
72.04496	3.0
72.08136	1.7
73.02911	6.0
73.34706	1.7
74.06079	73.9
79.05493	50.8
80.05018	5.6
81.03413	24.4
81.03853	1.8
81.05791	2.5
81.07053	54.2
81.07526	3.4
82.06579	71.7
82.99162	1.5
83.04981	16.7
83.08622	10.0
84.04494	1.8
85.02898	16.5
85.06542	2.5
91.03934	7.6
91.05482	25.8
93.05795	1.8
93.07043	46.4
93.07626	2.5
94.06564	71.7
95.04966	14.1
95.08607	38.7
96.08150	10.9
96.08670	1.6
97.02885	12.7
97.06542	3.3
97.10184	3.9
98.06088	3.3
100.07605	9.8
105.07021	16.7
106.06580	1.6
107.04912	2.8
107.08586	23.0
108.08120	12.0
109.06540	2.6
109.10159	12.5
110.06034	3.8
111.08111	1.7
112.07574	1.9
117.07031	5.1
118.06579	2.0
119.08569	14.8
120.08117	6.0
121.10132	19.4
122.06045	5.7
122.09676	2.4
123.11739	2.6
124.07607	5.2
125.09652	2.4
127.03934	3.6
128.07104	5.8
129.06996	5.2
131.08559	12.2
132.08107	5.9
133.10136	8.8
134.09688	3.7
135.11684	9.5
136.07584	17.4
137.09627	2.0
138.09137	2.6
139.11214	3.3
145.10158	5.2
146.09663	3.7
147.11731	5.5
149.09636	3.0
149.13263	3.6
150.09169	3.2
152.07080	4.7
153.09087	2.0
157.10162	4.2
161.13295	3.3
162.09227	1.9
173.13287	2.9
175.11195	3.4
192.17551	2.6
192.23351	1.5
193.12231	10.7
202.15904	5.1
206.15561	1.7
211.13269	9.5
212.14391	2.6
220.16943	38.4
230.15376	13.9
238.18062	3.1
243.21167	3.8
248.16454	95.7
249.16849	2.6
259.15521	2.7
261.22150	10.1
266.17572	9.2
267.15891	42.4
267.18552	2.3
269.17493	2.5
278.17630	2.7
284.18668	1.7
285.16946	9.1
290.10052	1.6
290.17184	1.8
304.19217	6.3
312.21713	1.6
322.20090	9.3
326.79681	1.5
335.25793	68.2
340.21426	5.1
358.22470	4.2
433.50720	1.7
433.56622	1.6
453.33932	2.4
457.52921	1.6
527.37292	13.7
529.38904	3.7
537.57379	1.6
545.38391	14.5
545.44812	1.5
572.43805	1.9
582.41315	4.9
588.39142	1.8
600.42566	37.4
601.43280	1.8
618.43665	25.7
636.44733	100.0
637.45166	4.1
747.36731	1.6
762.47552	2.8
780.48743	5.9
798.50049	67.1
799.50653	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	798.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	8.8
57.03425	12.6
61.02927	17.1
65.03941	4.2
67.04233	3.4
67.05502	44.9
69.03423	9.2
69.07063	12.7
70.06587	4.5
70.10977	5.6
70.11398	6.6
71.05000	5.3
73.02917	6.1
74.06081	76.1
79.05499	36.7
80.05016	4.9
81.03416	24.1
81.06590	2.6
81.07059	39.5
82.06581	68.8
83.04993	16.4
83.08614	10.2
85.02896	13.9
91.03945	6.2
91.05489	26.5
93.07040	38.8
94.06568	57.8
95.04974	11.5
95.08600	33.4
96.08120	7.3
97.02908	10.0
97.06519	4.7
97.10165	5.4
97.68960	2.1
98.06030	4.0
99.04463	3.8
100.07607	6.4
104.53625	2.4
105.07028	14.7
107.04934	3.3
107.08601	18.5
108.08070	4.9
109.06551	4.3
109.10154	12.1
110.06033	5.7
111.08073	5.2
112.07597	3.1
117.07009	5.3
118.02933	2.5
119.08620	11.8
120.08094	6.7
121.10145	15.7
122.06020	6.4
122.09628	2.3
123.11717	4.4
124.07607	2.4
125.09639	3.9
127.03915	2.7
131.08569	10.3
132.08078	4.2
133.06432	2.4
133.10149	9.4
134.09674	4.3
135.11700	8.2
136.07564	17.2
137.09576	2.3
140.03421	2.6
145.10112	6.5
147.11697	3.4
149.09602	2.9
149.13252	4.6
150.09126	3.2
152.07048	5.1
157.10117	3.8
161.13266	3.1
171.74248	2.5
173.11899	2.4
173.13271	2.6
175.11171	4.5
192.17456	2.5
193.12259	9.5
202.16005	4.1
211.13277	8.9
220.16925	32.4
230.15408	12.9
238.18057	6.6
243.21162	3.0
248.13879	5.4
248.16452	91.3
261.22189	7.3
266.17563	12.2
267.15921	33.9
278.17487	4.8
285.16968	9.7
304.19141	5.9
322.20148	7.6
335.25836	49.9
336.25873	3.2
340.21194	4.2
358.22156	3.2
438.41690	2.4
516.68231	2.7
526.26489	2.6
527.37335	9.4
545.38336	10.0
600.42761	27.5
618.43689	22.1
636.44678	100.0
637.44501	5.0
749.90765	2.5
798.50085	72.9
799.49036	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	797.5167
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60217	1.1
57.03442	2.5
61.02922	7.1
62.55868	1.1
67.05516	5.9
69.03428	3.1
69.07085	1.2
69.33695	1.1
70.76131	3.6
73.02916	5.0
79.05511	3.4
81.03424	1.5
81.07072	6.5
85.02490	1.0
85.02905	6.2
91.03973	3.6
91.05489	1.7
93.07050	3.7
95.08604	3.3
97.02907	6.5
99.52594	1.1
101.02403	1.8
107.08578	2.0
109.10151	1.9
127.03947	1.3
135.11636	1.5
149.52478	1.1
223.44710	1.4
243.08452	3.0
324.68997	1.2
337.36307	1.3
519.29309	17.0
797.51733	100.0
798.52039	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	797.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	4.4
57.07053	3.8
60.83714	1.2
61.02913	4.5
62.15761	1.1
67.05170	1.6
67.05505	23.0
69.03423	6.3
69.07072	16.1
69.66725	8.2
71.01349	3.2
71.04975	1.6
73.02907	5.6
77.03895	1.2
79.05491	12.1
81.03413	2.8
81.06580	2.4
81.07054	42.9
83.01336	1.4
83.04988	1.9
83.08610	8.1
85.02902	48.5
91.03950	4.0
91.05476	11.1
93.06477	1.7
93.07045	31.9
95.01324	39.8
95.04944	2.1
95.08604	88.4
97.02888	13.5
97.10156	5.4
99.00809	3.4
99.08073	1.5
101.02361	2.6
103.03946	4.6
105.07024	31.8
107.08592	56.3
109.02882	3.0
109.06500	2.8
109.10155	61.1
111.08084	16.3
111.11732	2.8
113.02338	3.8
115.03954	1.3
117.07014	4.1
119.08578	46.6
121.10143	44.0
123.00780	1.2
123.08087	1.6
123.11716	19.8
125.09638	1.4
127.03916	8.3
127.11234	1.2
131.03387	2.4
131.08575	11.5
133.10126	42.0
135.10684	2.1
135.11685	35.0
137.13240	8.0
139.11160	7.4
141.01823	89.0
143.08553	3.8
145.04976	10.0
145.10101	17.3
147.11682	33.5
149.13254	28.5
151.11180	3.4
151.14827	2.0
157.10133	5.1
159.02890	15.4
159.11691	23.1
161.13251	34.8
163.06006	7.4
163.11221	1.4
163.14828	23.1
165.12752	3.0
171.11685	4.3
173.13277	17.2
175.14825	23.2
177.03934	3.7
177.16382	20.9
179.17938	2.8
185.13277	3.4
187.14822	14.0
189.16379	24.0
191.14351	2.7
191.17924	14.2
193.15912	8.7
195.17473	9.8
199.14836	4.3
200.05597	1.3
201.16373	21.3
203.17955	44.0
205.15839	9.3
205.19531	3.5
207.17494	8.5
213.16362	5.4
215.17969	18.0
217.16005	2.2
217.19498	22.3
219.17412	14.5
221.18990	15.7
225.16466	1.4
227.18024	5.6
229.19487	23.2
231.17343	2.7
231.21077	3.0
233.19026	11.7
235.20518	2.5
239.17688	1.2
241.19511	4.9
243.21043	9.2
245.19000	3.8
245.22551	1.3
247.20549	12.7
253.19586	1.6
255.21112	5.8
257.22629	6.5
259.20468	2.9
261.22128	3.2
267.21210	1.6
269.22668	5.0
271.24152	3.1
273.22025	2.5
275.23627	3.6
281.22586	1.6
283.24173	3.4
285.22305	1.4
285.25754	1.2
287.23727	2.9
295.24191	2.2
297.25818	4.0
301.25159	2.0
311.27167	2.4
313.25110	3.4
315.26797	4.4
329.28244	3.1
339.26962	1.4
339.30573	1.6
351.30292	1.3
363.30389	1.2
365.19623	1.5
365.31845	5.2
383.33130	6.0
405.35205	19.8
411.36176	4.8
423.36200	100.0
441.37274	69.2
441.42267	0.8
482.96487	1.1
581.38202	4.2
599.39349	12.4
625.74567	1.6
797.42340	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	797.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07075	3.0
61.02917	18.3
67.05510	21.5
69.03402	4.5
69.07054	11.7
70.49702	11.5
71.01351	2.6
73.02904	10.8
79.05486	10.1
81.03385	2.9
81.07049	39.1
81.18424	2.8
83.08595	7.5
85.02908	45.0
86.09697	4.3
91.03961	17.5
91.05456	8.9
91.74416	2.9
93.07037	25.0
95.01329	33.2
95.08607	68.9
97.02892	25.5
97.10152	4.8
99.00806	4.2
99.60232	2.7
103.03935	7.6
105.07022	26.5
107.08595	48.4
109.02863	3.0
109.10152	51.4
111.08065	14.4
113.02380	2.9
119.08578	41.8
121.10139	46.8
123.11693	15.7
124.99992	2.7
125.09648	3.3
127.03888	12.0
127.51248	3.1
131.03360	3.1
131.08557	7.2
133.10129	33.5
135.11673	30.4
136.90866	3.2
137.02342	10.5
137.05908	6.7
137.13239	5.3
139.11119	7.6
141.00732	5.6
141.01820	95.6
143.08563	4.1
145.04971	13.0
145.10130	14.9
147.11684	28.0
149.13225	25.3
151.11125	3.1
152.45769	2.7
157.10097	4.6
159.02873	12.9
159.11691	19.0
161.13261	28.7
163.06017	18.9
163.14821	26.2
165.12628	3.7
171.11742	6.8
173.13251	13.5
175.14839	21.0
177.03923	8.0
177.16409	21.1
184.07352	8.1
187.14824	13.0
189.16389	22.9
191.17929	10.8
193.15887	5.3
195.17465	9.8
199.14888	4.7
201.16351	20.0
203.17952	38.9
205.15848	7.3
207.17488	6.9
213.16220	3.2
215.17975	18.4
217.15919	3.0
217.19479	22.8
219.17416	7.6
221.18982	10.4
227.17865	8.6
229.19522	18.4
233.19063	14.2
235.20515	2.8
241.19524	3.5
243.21053	7.1
245.18881	4.0
247.20583	13.4
257.22656	5.8
261.22278	6.2
271.24014	2.9
365.31903	4.2
383.33075	5.2
405.34940	16.1
423.36194	100.0
424.36542	2.9
441.37238	60.4
569.36017	3.1
581.38037	7.6
599.39288	9.1
599.94086	2.7
742.58997	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	795.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43260	1.7
67.05495	8.5
69.31052	16.0
76.36761	1.6
79.05476	3.6
81.07057	6.8
85.02866	1.6
86.09725	3.6
90.40932	1.9
93.07061	4.2
95.08622	4.7
105.07017	2.3
109.10199	2.0
117.07123	2.1
125.00018	2.0
138.73280	1.8
140.19394	1.9
184.07375	8.0
200.98811	1.8
335.25980	1.8
337.27591	2.5
347.11899	1.9
683.46301	1.9
691.40240	11.0
765.41284	1.9
795.42816	100.0
796.42999	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	795.4495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.5
59.04998	1.1
61.02925	4.0
67.05502	4.2
69.03432	2.4
69.07074	1.0
69.95063	0.5
71.01336	0.6
71.04993	1.6
73.02914	3.5
75.02058	0.4
79.05493	4.8
81.03413	3.7
81.07064	3.7
83.04992	1.1
83.08619	1.1
85.02908	4.5
87.04440	0.7
91.03939	2.9
91.05478	4.5
93.07047	4.6
95.04993	1.6
95.08612	2.3
97.02890	4.4
97.06528	1.3
98.21504	1.2
99.04437	1.2
99.69305	0.4
101.02406	1.3
105.07027	3.0
107.08591	2.6
109.02899	0.7
109.06506	0.6
109.10176	0.9
111.08058	0.6
117.07028	0.6
119.08626	2.0
121.06531	0.7
121.10177	1.6
127.03964	0.6
129.07031	1.3
131.08606	1.8
133.10159	2.1
135.11726	0.8
145.10170	0.7
147.08125	0.6
147.11716	2.1
149.09679	1.6
157.10170	1.2
165.12843	0.6
173.13345	0.5
175.11218	0.6
185.04274	1.0
190.02501	0.6
193.12300	1.3
227.05167	0.5
243.08466	3.3
246.97189	0.5
267.15976	0.5
283.15231	3.7
301.09158	1.4
309.16806	0.6
317.20255	0.6
339.17755	1.0
354.26404	0.5
373.11197	0.6
469.20657	0.9
501.23071	14.0
535.28857	4.5
573.25262	1.3
634.43500	0.9
665.73389	0.6
709.32050	1.1
795.45032	100.0
796.45496	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	795.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	26.4
70.02495	13.6
70.02901	4.5
84.16383	2.5
91.05508	4.2
109.82677	2.9
141.02295	2.5
154.94171	14.7
169.01491	2.8
171.03328	3.9
172.95221	75.0
185.04935	3.3
190.96274	62.1
195.96841	7.5
203.05952	4.6
210.96817	15.5
217.07469	3.8
228.97855	43.5
246.98990	10.6
263.09634	9.1
269.10669	4.1
271.12299	2.9
277.11047	14.8
279.12674	3.1
281.10510	31.9
295.12247	5.4
297.13739	3.2
299.11688	21.6
304.12189	4.0
331.15714	38.5
337.51871	3.0
343.06073	4.1
349.16895	38.5
354.17340	2.7
361.07397	11.0
367.18021	4.8
371.09866	3.4
372.18518	6.0
399.08948	7.7
411.12137	5.9
415.11832	11.6
417.09839	36.4
429.13852	4.4
435.10803	13.7
440.11249	5.0
467.15134	32.2
485.16171	100.0
503.17169	64.9
508.17889	4.0
526.18457	18.7
661.38336	4.9
677.55402	3.4
679.39636	5.4
697.40637	3.8
759.35443	5.2
777.37170	4.7
795.37122	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	795.414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.5
58.77596	1.2
61.02913	8.3
62.55019	1.3
67.05505	9.9
69.03443	3.7
69.07083	2.9
69.68937	1.5
70.06622	1.2
71.05013	1.6
73.02921	4.5
79.05488	6.6
81.01712	1.4
81.03421	7.3
81.07063	7.9
82.34045	1.6
82.81287	1.5
85.02919	12.2
86.09703	1.5
91.03968	4.3
91.04993	1.7
91.05457	6.6
93.07048	7.5
95.04987	3.7
95.08630	2.0
97.02905	8.5
98.21610	2.5
101.02399	2.7
105.07069	5.0
107.04992	1.3
107.08635	3.4
109.10150	2.2
112.58649	1.3
114.28165	1.3
116.20985	1.5
119.08603	3.2
121.10204	1.8
123.04337	1.8
127.03941	2.7
129.05562	2.6
129.07031	1.9
131.08582	2.4
132.24727	1.2
133.10172	3.6
135.11774	2.3
136.40962	1.5
145.10159	1.7
149.02379	2.0
157.10136	1.9
165.73329	1.4
168.67226	1.7
184.07411	5.9
185.04288	4.7
193.04941	1.8
193.12259	2.0
200.20201	1.9
201.03783	2.1
212.30075	1.6
228.23007	1.7
243.08440	8.9
251.12584	2.6
277.14053	2.5
301.09006	16.4
308.94156	1.4
315.10678	3.6
327.10458	1.5
341.12131	1.6
349.16293	2.1
367.17548	1.5
373.11267	4.4
383.17020	2.1
385.18124	9.9
387.13052	1.6
429.17712	2.3
439.19547	4.3
443.19101	4.8
469.20432	17.2
481.20935	2.0
485.19965	2.1
487.21658	2.4
499.21985	3.7
528.22302	3.1
535.27966	1.8
541.22485	12.3
549.26508	2.1
551.28363	6.6
569.28571	1.5
583.31036	2.0
611.30579	2.1
612.31274	4.0
641.31714	4.3
667.32965	11.5
709.34088	32.3
777.40692	8.9
795.41266	100.0
796.41711	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	793.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96585	1.1
57.03412	1.9
59.05015	1.7
61.02932	5.3
67.05502	7.0
69.03427	4.0
69.06647	0.9
69.07082	2.8
71.04993	2.6
72.81339	1.1
73.02924	3.1
79.05488	5.4
81.03425	5.9
81.07072	7.0
83.04990	1.2
85.02891	5.3
91.03974	1.8
91.05490	4.8
93.07058	5.5
95.04984	3.4
95.08629	3.6
97.02918	5.4
97.06553	1.9
99.04481	1.3
101.02413	1.5
105.07039	4.9
107.04979	1.5
107.08636	2.8
109.02918	1.1
109.10167	1.7
113.28597	1.0
119.08567	2.5
121.10199	2.5
123.08096	1.1
127.03915	1.2
129.07108	0.9
131.08609	3.7
133.10152	3.2
145.10156	1.1
147.11752	1.4
149.09679	2.2
151.11244	1.1
157.10185	1.2
175.11230	1.7
189.71568	1.2
193.12321	2.2
200.50087	1.5
243.08630	3.2
267.16156	1.1
283.15088	2.3
315.19321	2.7
339.17902	1.8
459.29248	1.1
469.20615	1.6
485.17322	1.4
501.23044	15.0
533.27380	7.2
631.39429	1.3
793.43518	100.0
794.43542	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.8
55.05515	15.9
57.03440	9.8
57.07071	1.7
61.02916	3.6
65.03922	2.8
67.05503	72.4
69.07066	16.7
69.35197	9.5
69.35623	4.6
71.02670	1.4
71.04940	1.3
75.68867	1.3
79.05492	44.4
81.03381	1.5
81.07054	57.7
83.04974	2.1
83.08624	7.0
85.02889	3.6
85.06529	2.5
91.03954	2.3
91.05479	28.8
93.07038	45.8
95.04961	7.4
95.08604	48.1
97.02843	1.8
97.06551	2.5
97.10172	2.9
105.04502	1.4
105.07026	21.2
107.08589	25.8
109.06513	1.4
109.10149	20.9
111.08047	2.3
117.06994	8.7
119.08576	19.7
121.10155	19.8
123.11710	7.4
130.15907	1.8
131.08560	13.0
133.10135	15.6
135.08115	1.3
135.11696	13.7
137.13196	2.9
143.08502	1.7
145.10115	11.3
147.11681	10.9
149.13251	9.1
159.11682	8.0
161.13213	7.5
163.14783	6.0
173.13249	8.8
175.14798	2.6
177.12689	1.4
187.14769	3.3
191.46938	1.4
192.36052	1.2
199.14900	1.8
213.16397	1.4
241.19470	1.9
243.21060	4.4
259.20526	7.8
261.22147	22.4
317.24579	4.0
333.24210	4.8
335.25787	100.0
336.25961	2.7
337.27426	9.4
420.53540	1.5
521.43512	3.2
595.47021	13.2
613.48438	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	793.434
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.3
59.05008	1.0
61.02913	3.7
67.05508	5.6
69.03421	2.9
69.07069	3.7
71.04993	1.8
71.58659	1.0
71.59087	1.3
73.02924	2.4
77.67507	0.7
79.05483	4.7
81.03402	3.8
81.07061	5.1
83.04964	0.8
83.08632	1.0
85.02895	4.5
87.04482	1.0
91.03973	2.0
91.05481	5.8
93.07036	4.5
95.01367	0.9
95.04982	2.3
95.08624	2.8
95.45453	0.9
97.02901	3.3
97.06545	2.0
99.04461	0.8
100.11432	0.7
100.37683	0.8
101.02406	1.4
105.07014	5.4
107.05003	1.9
107.08608	1.8
109.10173	2.4
116.40453	0.7
117.07028	0.8
117.91576	0.7
119.08580	3.1
121.10185	2.6
123.08057	0.9
123.11759	1.0
127.03971	1.2
129.06995	0.8
131.08571	2.7
133.10156	3.0
145.10167	1.4
147.11659	2.0
149.09669	2.8
175.11154	1.4
179.03134	0.7
179.14287	1.6
184.07350	0.9
193.12286	0.9
225.15034	1.2
243.08453	2.2
253.14153	0.9
279.80377	1.1
283.15222	2.8
302.76105	0.8
315.19540	2.3
339.17764	1.1
339.92294	0.9
359.39014	0.9
371.22113	1.9
404.68521	0.8
469.20218	1.0
501.22937	9.4
533.27405	8.8
793.43433	100.0
794.42889	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	9.2
55.05508	30.5
57.03435	21.6
58.35066	2.0
59.04976	3.5
61.02918	3.5
63.08030	2.2
64.24891	2.0
65.03941	4.2
67.05502	100.0
69.03429	6.7
69.07068	25.8
70.06562	2.1
71.04987	8.5
71.58231	2.4
71.58663	3.6
75.44701	2.0
79.05490	50.3
81.03413	75.8
81.07053	71.8
83.04978	21.5
83.08618	39.4
85.02915	26.9
85.06537	6.7
91.05481	53.9
93.07038	47.1
95.04964	40.5
95.08604	35.8
97.02895	6.3
97.06544	12.1
97.10153	11.8
99.08129	3.4
103.05443	2.3
105.07031	42.2
107.04963	14.7
107.08591	32.4
109.05844	2.3
109.06536	11.5
109.10148	47.2
111.04411	3.1
111.08060	14.3
113.06026	4.5
117.07021	13.0
119.08577	39.1
121.06513	8.8
121.10148	18.0
123.08039	4.7
123.11705	9.7
125.09641	10.1
127.03846	2.9
129.06993	16.0
131.08575	25.8
133.06543	2.6
133.10121	28.5
135.08078	5.1
135.11644	6.9
137.05994	4.1
137.09612	6.1
139.03882	2.7
143.08540	3.9
145.10115	12.5
147.08073	6.4
147.11676	25.5
149.09587	12.9
149.13235	9.5
157.10133	22.1
159.11693	6.9
161.13310	3.1
163.11172	8.1
165.12790	4.2
167.07082	3.6
171.11633	3.2
173.11746	12.5
173.13133	4.7
175.11194	20.2
181.04991	2.5
184.07423	2.5
185.13029	2.7
189.11232	3.8
193.12250	44.9
195.13792	3.7
211.13275	69.5
227.12682	11.6
229.14360	25.4
239.17863	2.4
257.19003	7.4
267.15881	35.9
269.17450	18.7
275.20044	30.9
285.16943	55.5
286.17310	2.7
293.21243	5.2
303.04752	3.8
349.23700	26.3
367.24716	13.8
372.27789	2.3
421.26022	14.5
423.46152	2.5
439.26871	71.4
440.26797	4.1
440.63351	2.9
443.28091	3.8
461.29041	23.3
479.30026	62.3
480.30365	3.0
541.35431	20.7
559.36310	44.0
560.36401	3.5
577.37213	18.3
583.30933	3.8
587.30048	2.6
623.34851	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	5.3
55.05511	29.2
55.73638	2.4
55.86799	2.5
56.29203	2.1
57.03439	20.1
67.05499	64.2
69.03417	8.7
69.06785	2.3
69.07069	25.2
71.04988	6.6
71.58932	4.2
72.68219	2.4
73.02889	4.0
79.05057	4.7
79.05492	60.7
81.03420	94.8
81.07059	80.6
83.04963	11.8
83.08614	31.2
85.02899	6.5
86.09690	10.1
91.05476	59.0
93.07048	59.4
95.04966	40.9
95.08608	33.3
97.02875	6.0
97.06535	16.8
97.10183	14.9
102.90129	2.9
105.07027	40.3
107.04938	12.5
107.08588	42.5
109.06511	11.2
109.10175	16.1
111.04414	3.6
111.08074	13.2
113.23690	2.4
115.05491	3.2
117.07018	16.8
119.08578	34.8
121.06502	13.2
121.10140	24.6
123.08059	5.3
123.11758	3.8
125.00021	6.6
125.09614	11.3
127.03974	3.0
128.30533	2.5
129.07008	20.4
131.08575	32.3
133.06491	5.0
133.10136	27.8
135.08047	5.4
135.11678	13.5
137.09598	4.8
139.11142	2.5
142.07790	3.5
143.08537	5.4
145.06410	5.0
145.10063	15.5
147.08018	8.3
147.11687	18.4
149.09656	15.5
149.13228	11.4
151.11185	3.0
155.08585	5.8
157.06464	3.0
157.10112	19.8
159.08032	3.0
159.11636	13.9
161.13239	4.4
163.11218	5.8
166.42770	2.8
169.10240	3.2
171.11664	5.6
173.13226	6.6
175.11172	11.6
177.12714	5.9
184.07320	28.3
189.11221	9.5
192.88481	2.5
193.12221	27.8
195.13820	3.5
211.13229	4.6
227.12735	11.9
229.14326	4.3
233.95409	2.9
255.15793	14.3
259.00595	2.9
267.15912	94.5
269.17535	24.6
275.20099	19.0
349.23569	19.1
367.24875	3.0
369.24008	4.1
443.28110	12.6
447.27313	27.3
449.30542	6.1
461.28967	100.0
462.29184	4.9
479.29922	12.0
501.31824	3.8
523.33984	3.6
541.35187	42.1
559.36346	18.9
793.40204	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	791.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	1.8
65.00899	0.2
70.46913	0.2
71.57178	0.5
79.57799	0.2
84.96032	0.3
97.19603	0.2
98.97578	8.1
99.38791	0.2
110.97561	1.5
112.99149	0.4
116.98621	6.9
128.98605	3.8
131.00153	0.9
134.99657	4.2
137.07085	0.3
140.00215	0.3
143.00114	0.4
146.99644	4.6
148.00441	0.3
149.01198	0.8
153.00725	0.4
158.01266	0.4
158.99658	3.5
159.11823	0.2
161.01204	0.8
163.01794	0.3
165.00682	1.0
170.99655	5.4
173.01112	0.2
177.00711	7.6
179.08104	0.3
181.02829	0.6
185.02226	0.2
189.00708	13.3
191.01175	0.4
194.99887	0.5
195.01779	0.9
199.03903	5.6
199.05664	0.4
200.02290	0.3
201.00696	0.4
207.01781	1.5
209.00368	0.2
209.02327	5.0
211.03911	2.7
212.02551	0.5
213.00760	0.4
213.07256	0.3
215.10281	1.8
217.04961	5.6
219.01773	3.1
222.05466	0.3
223.03899	3.8
225.07175	0.4
227.03386	20.1
229.04968	4.0
229.07097	0.1
231.01692	1.9
232.03751	0.2
235.03886	2.1
237.02824	6.7
241.04955	6.6
245.04466	1.6
249.02820	0.5
250.04971	0.7
251.03456	0.7
253.04958	6.4
253.07541	0.3
255.03867	0.9
255.08286	0.7
259.06003	1.1
260.04514	0.3
261.02945	0.5
264.06720	0.2
269.04480	0.8
271.06012	10.5
277.04895	0.7
279.03995	1.1
283.05890	0.4
289.07062	4.1
291.03891	0.5
294.07767	0.4
295.05991	0.6
309.04929	0.8
313.07098	0.2
397.09106	0.8
399.12448	0.9
415.10217	100.0
416.10556	2.0
433.11279	2.7
455.06155	0.3
456.12909	0.3
630.37103	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	790.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	11.1
55.05511	23.7
57.03440	12.1
57.07072	2.4
61.02919	5.5
63.33228	2.2
65.03938	2.0
66.72420	1.8
67.05505	71.0
69.03425	9.6
69.07066	22.7
70.43842	2.4
71.05001	19.0
71.58857	2.2
71.59282	3.5
73.02916	5.0
79.05066	3.4
79.05492	52.8
80.05805	2.3
81.03417	20.7
81.07056	100.0
82.04185	4.1
82.07399	3.1
83.04976	17.0
83.08624	16.3
85.02882	6.1
85.06538	7.0
91.05479	57.9
91.06015	4.2
93.07043	49.6
94.73864	2.1
95.04963	16.7
95.08599	31.7
97.02881	6.1
97.06525	14.3
97.10168	7.1
99.08077	4.9
103.05455	2.0
105.07030	51.6
107.04938	10.2
107.08591	33.2
109.02890	2.7
109.06506	6.9
109.10162	16.7
111.04465	2.7
111.08081	10.0
113.05909	2.3
115.05453	2.4
116.04742	3.4
117.07011	18.1
119.08576	29.6
121.06479	4.7
121.10143	22.1
123.08050	4.2
123.11712	10.8
125.09635	8.9
127.03824	2.5
129.05531	11.1
129.07004	9.1
131.08560	22.8
133.06564	2.9
133.10130	27.7
135.08084	6.4
135.11687	12.1
143.08562	6.2
145.10135	13.8
147.11691	16.0
149.09610	10.2
149.13237	9.9
151.11169	5.0
155.08519	3.9
157.08626	4.0
157.10161	6.5
159.11728	12.9
161.09685	2.9
161.13292	6.0
161.94699	1.9
163.11192	7.3
164.22768	2.0
171.11627	5.0
172.24806	2.2
173.13255	4.2
175.11279	3.2
177.12779	4.3
179.14290	3.5
183.11752	2.8
184.07326	4.8
185.13261	2.9
189.11212	5.0
193.12274	5.9
195.13866	2.6
211.13161	2.7
227.12747	8.5
229.14310	2.9
230.15414	3.0
238.89281	2.3
241.19534	2.6
243.15927	3.1
257.19205	4.5
259.20529	8.3
267.15970	10.1
268.16278	4.8
269.17444	13.6
275.20074	21.2
276.20459	2.2
292.18915	3.7
293.19705	4.0
301.16418	13.8
301.20087	7.8
333.24213	7.6
349.23611	11.6
350.24335	2.1
411.72260	2.4
423.27222	4.9
437.28891	12.8
449.28943	9.8
451.30481	4.6
463.30707	10.8
495.33429	18.3
516.01758	2.7
517.35248	22.8
531.37146	3.4
541.34924	4.9
542.35852	3.0
543.36414	16.5
575.39130	6.3
644.62878	2.6
645.23462	2.2
744.36237	12.8
790.39532	7.2
790.50134	7.0
791.39417	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	790.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	5.4
55.05509	38.4
57.03434	16.8
61.02903	3.3
65.03929	6.3
67.05505	85.5
69.03422	5.5
69.07067	23.6
70.01921	16.0
71.04982	12.8
73.02921	3.7
73.22485	3.0
79.05496	66.9
81.02975	5.7
81.03419	59.0
81.07060	86.0
83.04978	12.8
83.08609	26.8
85.02901	7.9
85.06528	6.3
86.30286	3.0
91.05483	72.4
91.21791	2.9
93.07043	73.5
95.04977	31.5
95.08616	41.7
97.02885	5.5
97.06520	9.5
97.10175	16.7
99.08083	4.6
105.06381	5.7
105.07041	65.6
107.04954	11.5
107.08598	42.9
109.06518	6.2
109.10153	23.9
111.08066	5.5
114.14877	3.2
117.07023	31.4
119.08582	47.6
121.06512	8.1
121.10141	25.6
123.08078	8.3
123.11716	7.6
125.09606	12.4
128.06258	5.6
129.07007	20.5
131.08578	40.3
133.06456	5.3
133.10138	42.9
135.08015	7.6
135.11717	19.8
141.06981	5.8
143.08563	12.4
145.10135	26.4
147.08057	4.3
147.11688	24.8
149.09590	9.4
149.13248	10.4
151.11249	4.0
155.08521	7.8
157.10150	18.3
159.11714	19.8
161.09630	5.2
161.13280	8.6
163.11218	4.6
165.12794	4.6
167.08600	4.5
169.10139	9.0
171.11723	14.4
173.13226	9.9
175.09656	3.6
175.11159	8.7
175.14746	3.4
181.10228	4.8
183.11688	9.4
185.13319	16.6
187.14780	4.4
193.12202	8.3
195.11664	7.5
197.13306	5.5
199.14798	9.7
209.13336	3.6
211.14842	3.9
215.97101	3.1
227.12784	12.1
229.14299	5.4
239.17999	3.5
241.19447	5.0
246.16016	3.1
259.20551	17.1
267.15955	25.9
269.17441	5.4
275.20297	4.5
299.23715	6.1
301.16864	4.2
301.19910	7.5
325.21573	3.8
333.24261	14.7
349.23727	9.6
403.25131	4.2
417.26300	4.2
421.25681	7.7
423.27423	5.7
433.30865	11.9
435.27261	10.6
437.28876	4.4
449.28946	3.9
451.31842	11.7
463.30859	4.4
469.33316	8.4
489.33609	3.6
495.32993	6.0
507.34439	5.6
517.35602	16.6
525.35803	49.8
543.36829	100.0
544.37823	4.1
557.38202	13.7
575.39606	19.1
680.68439	3.8
790.41089	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	790.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	11.7
55.05514	29.3
57.03439	32.2
57.34189	3.5
61.02921	9.1
67.05171	6.6
67.05507	88.7
69.03423	20.0
69.07070	60.5
70.76413	7.9
70.76791	7.7
71.04996	29.7
73.02905	6.5
79.05497	93.0
80.72441	3.7
81.03419	89.9
81.07062	92.0
83.04985	25.7
83.08614	30.9
85.02904	35.3
85.06560	4.6
88.09431	3.2
91.05483	95.9
93.07045	70.3
95.04982	47.2
95.08611	38.5
95.98449	3.3
97.02905	21.7
97.06540	100.0
97.10161	4.8
99.04463	3.7
99.08098	10.1
104.08028	3.5
105.07036	63.2
107.04953	23.7
107.08596	32.1
109.02924	6.4
109.06522	23.1
109.10161	18.8
111.04435	5.2
111.08060	20.3
115.05451	6.9
115.07597	15.2
117.07027	25.0
119.08584	43.3
121.06506	11.1
121.10148	21.5
123.08049	12.6
123.11700	3.8
125.09638	5.2
127.03918	14.3
127.07542	5.3
128.06273	7.5
129.07008	24.6
131.08574	42.4
133.06511	12.9
133.10135	35.6
135.08086	17.5
135.11731	11.0
136.06206	5.3
137.09668	3.8
142.07790	6.8
143.08536	6.4
145.10190	17.7
147.08040	10.4
147.11682	28.4
149.05969	3.8
149.09621	13.5
149.13248	14.8
151.11217	6.8
155.08614	5.3
157.10126	27.7
159.08064	5.0
159.11705	10.7
161.09644	9.7
163.11165	11.2
165.12743	4.9
169.10135	4.3
171.11642	7.2
173.04395	4.0
173.09630	5.0
175.11165	21.2
177.12727	6.8
183.11673	4.6
184.07434	7.6
193.12228	49.7
211.13286	80.3
217.15921	8.9
227.12804	6.2
233.15289	6.3
255.17464	3.8
267.15903	29.8
269.17435	23.4
273.18506	33.1
284.74634	3.9
285.16962	59.6
291.19617	18.2
307.19034	4.4
347.22202	8.8
365.23230	11.5
455.10516	3.9
461.29123	6.0
479.29953	26.2
539.33588	7.4
557.34650	13.8
575.35474	16.1
593.36835	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	790.4585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	16.7
55.05513	47.3
55.05783	3.1
57.03440	24.0
57.07069	3.1
59.05001	1.6
61.02914	7.1
65.03927	4.2
67.05508	93.8
69.03434	16.5
69.07068	27.3
69.48067	16.4
69.91645	1.6
71.01334	6.3
71.05000	9.2
73.02895	5.3
79.05496	83.9
79.05969	4.0
81.02927	1.9
81.03418	68.4
81.07059	100.0
83.04984	31.7
83.08620	25.5
85.02911	18.7
85.06544	9.3
86.09708	2.6
90.82819	1.7
91.05486	91.6
93.07049	67.8
95.04973	36.8
95.08046	3.4
95.08613	41.2
97.02894	13.6
97.06535	15.7
97.10177	14.7
98.41008	1.7
99.04427	2.9
99.08109	3.2
103.05481	3.5
105.07038	55.5
107.04957	23.5
107.08593	41.0
109.06525	13.8
109.10161	23.7
109.24249	1.7
111.04449	4.7
111.08070	15.8
115.05460	2.8
116.06196	2.2
117.07020	19.9
119.08589	37.5
121.06496	8.6
121.10158	23.2
123.04367	3.1
123.08088	12.7
123.11678	5.7
125.09599	9.9
127.03905	4.8
129.05508	8.7
129.07008	18.4
131.08578	26.2
133.06496	6.9
133.10132	39.7
135.08060	8.2
135.11713	24.9
137.09605	5.4
142.07799	3.0
143.07050	2.6
143.08572	5.9
145.06413	2.2
145.10132	19.5
147.08049	6.8
147.11671	25.0
149.09636	11.2
149.13252	7.9
151.11182	6.9
153.12755	5.4
155.08521	2.7
157.08856	2.9
157.10120	17.6
159.08167	3.1
159.11703	6.8
161.09628	4.2
161.13312	3.7
163.11183	15.8
165.12686	4.8
171.11664	4.5
173.04448	2.4
173.11858	2.7
173.13260	4.5
175.11188	16.9
177.12657	3.0
179.87769	2.0
181.12257	5.7
183.11746	2.8
184.07323	7.5
185.13307	2.1
187.11241	2.6
189.11218	3.9
189.12805	2.0
191.10629	2.7
193.12262	43.9
195.11964	1.8
195.13799	5.4
197.13243	1.9
199.13318	4.5
209.11656	4.2
211.13298	45.5
223.13364	2.3
227.12781	11.4
229.14366	3.1
249.14764	2.5
253.14320	10.8
255.15886	14.2
257.19119	4.0
259.20667	2.4
267.15924	32.1
269.17542	14.8
273.18701	4.4
275.20096	13.9
283.15295	8.9
285.17007	30.3
291.19476	8.4
292.06738	1.9
299.15024	2.9
301.16409	12.5
333.24414	2.2
349.23709	10.9
365.23102	6.1
423.27170	2.7
447.27573	5.4
453.28268	3.4
459.27573	2.6
463.31046	2.6
465.28467	7.0
477.28424	4.0
478.28809	1.9
481.27927	2.5
495.29587	10.8
539.33203	2.6
541.34979	2.6
543.36047	3.0
557.34912	12.1
559.36182	3.7
575.35742	4.3
791.41040	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	790.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	17.4
55.05508	39.8
56.66594	1.9
57.03438	23.8
57.07083	2.3
59.05003	4.0
61.02913	6.6
65.03937	6.0
67.05505	99.8
69.03428	10.8
69.07064	48.1
69.35151	11.7
69.35577	9.8
71.01357	4.4
71.04991	10.0
73.02897	3.1
75.26941	2.3
77.03908	2.0
79.05489	74.4
81.03419	78.1
81.07054	81.7
83.04989	20.9
83.08614	31.3
85.02895	31.5
85.03368	2.8
85.06537	3.3
91.03953	4.3
91.05478	100.0
93.07043	55.6
93.07636	3.7
95.04969	44.5
95.08604	42.7
97.02901	14.0
97.06526	25.6
97.10165	10.2
98.21535	5.2
99.08089	3.3
103.05429	3.8
103.11240	2.1
105.06316	3.5
105.07030	69.0
107.04946	17.7
107.08601	29.7
109.06530	9.4
109.10159	36.6
111.04498	3.5
111.08061	12.9
113.06019	2.6
115.05445	2.7
117.07008	16.1
119.04948	2.6
119.08578	41.0
121.06524	13.1
121.10137	22.0
123.08057	12.1
123.11684	4.7
125.09630	10.2
127.03918	4.1
128.06212	3.5
129.05533	5.5
129.06995	19.1
131.08551	29.6
133.06493	5.1
133.10117	36.1
135.08057	4.5
135.11617	10.4
137.09633	14.0
141.06960	2.9
142.07835	4.8
143.08575	4.8
145.10114	18.7
147.08092	7.9
147.11694	28.0
149.09622	22.9
149.13240	4.5
151.11174	6.1
155.08528	3.6
157.08856	3.6
157.10112	21.3
159.11725	9.7
161.09602	2.4
161.13264	6.8
161.71092	2.3
163.11195	8.9
165.12738	5.0
171.10275	2.7
171.11711	4.5
173.09564	2.3
173.11765	8.4
173.13225	5.0
175.11171	20.2
177.12851	3.5
179.14249	3.1
183.11678	2.6
187.11226	2.9
189.11264	6.0
193.12241	65.9
199.13390	2.5
209.11769	2.4
211.13292	72.9
221.15468	2.1
227.12811	5.3
229.14363	8.4
229.19563	3.0
236.14851	2.2
239.18001	4.1
249.15031	2.0
253.14398	6.9
255.15802	2.9
257.19159	7.7
267.15918	35.2
269.17587	3.0
273.18478	6.2
275.20108	32.5
285.16940	52.5
291.19583	8.4
299.15112	3.5
301.16467	3.9
333.24316	2.6
349.23804	31.1
365.23328	5.5
381.22650	5.7
418.53571	2.9
421.25842	3.3
439.26929	9.9
447.27930	2.3
453.28983	3.1
463.30685	4.3
465.28021	3.4
479.29831	4.1
541.35291	15.1
557.34583	6.9
559.36273	26.9
575.35748	4.4
596.36011	2.7
626.17810	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	789.5139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	41.2
55.05515	37.4
57.03439	15.5
58.55431	7.4
61.02926	22.7
64.14995	6.2
65.03918	9.5
67.05505	97.6
69.03420	15.7
69.07077	46.8
69.37879	65.7
71.04977	9.4
72.69390	6.1
79.05489	99.6
81.03416	12.1
81.07051	100.0
83.04984	7.6
83.08618	27.1
85.02916	13.0
85.06515	8.4
91.03947	7.8
91.05492	71.5
93.07055	86.3
95.04961	15.8
95.08620	52.4
97.02873	15.8
97.06537	42.0
97.10175	24.1
105.07021	63.3
107.04956	22.9
107.08598	80.4
109.06512	15.0
109.10161	36.5
111.08070	12.1
117.07025	23.5
119.08587	47.1
121.10166	34.9
123.08051	6.9
123.11750	13.7
125.09648	18.4
129.06989	12.2
131.08580	27.9
133.10124	39.2
135.08078	7.2
135.11673	16.0
143.08542	12.7
145.10150	34.1
147.11658	23.7
149.09618	26.0
149.13275	10.0
159.11659	23.1
161.13283	11.7
163.11224	11.8
173.13310	9.6
183.11740	9.3
185.13181	7.7
189.11208	16.7
217.16086	7.3
227.12772	38.0
229.19656	8.4
239.18005	7.0
257.19116	12.3
261.22034	10.1
275.20062	80.6
293.20969	7.8
335.25732	85.7
349.24011	33.3
505.35193	12.4
609.45142	54.3
610.75684	7.4
627.46198	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	788.4746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	9.5
55.05513	16.3
57.03439	7.7
57.07057	1.4
61.02921	3.2
61.60964	1.5
61.87086	1.3
65.03932	3.2
67.05171	2.2
67.05505	33.1
69.03421	5.6
69.07069	19.3
71.04984	3.3
73.02933	1.4
79.05491	29.0
81.03417	49.2
81.07059	37.5
83.04984	6.4
83.08607	12.6
85.02880	4.1
85.06554	1.8
85.44073	1.3
91.03943	1.5
91.05482	39.4
92.05025	1.8
93.07044	25.5
95.01311	3.8
95.04968	17.9
95.08608	20.4
97.02909	4.7
97.06538	12.2
97.10152	4.0
99.08044	2.0
99.16835	1.4
105.07032	50.6
107.04954	13.2
107.08583	16.2
109.06512	3.5
109.10153	12.9
111.04428	2.4
111.08074	6.9
117.07007	8.4
118.06535	8.6
119.08574	23.4
121.06512	3.6
121.10138	8.8
123.04482	1.4
123.08060	5.2
123.11758	2.8
125.09621	3.5
129.05461	1.5
129.07002	8.8
131.08577	18.6
133.06493	2.1
133.10126	28.5
133.11081	1.9
135.08072	4.2
135.11687	6.5
137.09711	2.2
142.07768	2.1
143.08511	2.3
145.06552	1.6
145.10124	11.5
147.07982	1.8
147.11661	11.7
149.09618	7.5
149.13235	1.8
151.11176	5.9
152.72780	1.3
154.98746	1.3
155.08525	1.9
157.10162	7.6
159.11708	6.1
161.13278	3.3
162.09134	8.0
163.09941	3.5
163.11186	3.0
165.12804	1.9
169.10069	2.1
171.11681	2.0
173.13290	2.2
175.11223	5.4
177.12764	2.5
179.14365	7.1
185.13324	1.6
187.11198	1.3
193.12212	11.3
199.86110	1.3
202.15862	1.9
207.13892	1.4
230.15408	13.5
253.14401	8.2
257.18939	2.2
267.15933	56.9
268.16299	1.4
273.18530	2.6
275.20026	25.1
276.20462	1.9
291.19562	5.2
292.19058	49.8
293.21204	1.9
301.16415	5.0
348.21967	2.9
349.23709	17.1
363.21619	1.6
365.23105	2.5
497.27231	2.6
510.26688	3.9
541.35254	100.0
542.35443	3.2
559.35931	1.7
591.35443	3.0
608.43530	2.8
626.44775	6.5
743.35016	3.4
788.49445	41.6
789.38977	2.1
789.51910	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	7.1
55.05512	42.5
57.03427	16.1
61.02917	6.0
65.03925	8.2
67.05502	79.2
69.03408	10.3
69.07076	30.0
70.76465	10.1
71.04973	6.1
73.02902	4.7
79.05492	61.3
81.03397	9.5
81.07056	69.2
83.08607	14.6
83.20768	3.7
85.02888	9.2
85.06493	4.2
91.01431	3.4
91.05480	79.8
93.06469	5.5
93.07040	63.5
95.04954	13.0
95.08606	56.5
97.02887	5.5
97.06510	7.0
97.10139	10.7
103.05470	4.3
105.07025	59.6
107.04948	7.9
107.08604	31.1
109.06518	11.8
109.10146	20.6
111.08081	4.8
115.05415	8.0
116.06231	4.1
117.07008	46.0
119.04948	3.8
119.08589	39.0
121.06480	9.2
121.10130	17.7
123.08034	10.6
125.09630	8.7
127.03859	3.6
128.06200	17.2
129.07016	26.8
130.07796	7.8
131.08572	75.6
133.06468	7.0
133.10120	24.5
133.14308	3.7
135.08040	10.0
135.11676	9.1
137.09550	3.6
141.06981	15.2
142.07732	6.2
143.08553	84.2
145.10109	95.2
147.08028	15.7
147.11638	12.3
149.09624	7.9
149.13170	7.1
155.08525	12.6
157.10095	26.8
159.11671	18.2
161.09633	14.3
161.13297	4.3
161.63683	3.8
163.11101	5.7
167.08539	6.0
169.10123	21.6
171.11687	21.1
173.13234	5.8
175.11163	12.0
177.12782	6.4
181.10129	11.4
182.44649	3.6
183.11668	12.3
185.09613	4.2
185.13216	10.9
195.11745	23.0
199.14835	3.8
227.12741	4.4
227.18037	4.7
237.16364	22.5
241.14262	5.6
245.18982	7.7
255.17390	28.1
273.18472	78.0
275.20154	4.0
291.19528	7.0
302.79077	4.0
329.21243	4.1
335.25781	100.0
347.22125	35.0
395.25443	4.0
456.79700	4.2
552.47125	3.9
607.43549	41.4
625.44281	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	787.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	17.0
55.05514	44.7
57.03434	12.1
57.07075	5.5
59.05004	2.4
61.02922	14.7
65.03945	4.8
67.05503	80.3
69.03441	19.1
69.07071	36.2
69.26616	26.8
70.21580	2.9
71.04996	7.3
73.02908	6.6
73.20577	2.6
79.05493	64.7
81.03418	33.1
81.07056	70.5
82.91203	2.3
83.04985	11.6
83.08608	18.0
85.02911	16.0
85.06547	5.7
91.03951	5.6
91.05481	58.5
92.05817	2.7
93.07039	57.9
95.04964	17.5
95.08609	53.2
97.02895	23.0
97.06527	23.3
97.10178	8.2
98.20769	5.3
99.04431	5.5
99.08089	4.4
101.02377	3.9
105.04551	2.5
105.07035	56.3
107.04965	9.8
107.08593	44.2
109.02863	6.6
109.06531	10.4
109.10165	26.4
111.08089	9.6
115.05505	3.3
117.07012	30.4
119.04923	3.5
119.08582	43.9
121.06509	5.2
121.10172	22.6
123.08067	9.3
123.11721	8.1
125.09656	9.6
127.03922	9.3
128.06195	6.6
129.05588	3.7
129.06998	26.0
130.07791	2.5
131.08565	37.1
133.05229	2.3
133.06473	4.9
133.10132	40.7
135.08037	6.1
135.11700	12.2
137.09596	5.4
141.06995	10.2
142.07770	6.1
143.08542	24.9
145.10138	31.1
147.08046	4.7
147.11705	24.5
148.12021	2.6
149.09607	8.3
149.13254	7.7
151.11191	3.4
153.07039	3.8
155.08549	13.1
156.09302	4.3
157.10123	24.4
157.31525	2.6
157.64711	2.5
159.11703	25.9
161.09654	3.9
161.13298	10.0
163.11165	4.1
165.12759	3.5
167.08560	6.7
169.10138	20.9
171.11674	21.7
172.01630	2.6
173.04506	10.6
173.11858	3.4
173.13213	14.5
175.14839	7.3
181.10158	8.7
182.10832	3.4
183.11664	19.9
185.13223	19.7
187.11205	4.7
187.14847	9.0
189.11143	6.7
189.12727	2.6
193.10222	3.1
195.11731	10.6
195.13539	3.5
197.13162	14.4
199.11226	3.9
199.14862	8.9
201.16399	3.0
207.11734	4.4
209.13278	9.7
211.11194	4.2
211.14854	7.4
213.12859	3.2
213.16397	4.4
215.17989	3.8
219.11710	3.0
221.13292	5.3
223.14853	6.4
225.16420	5.9
227.12605	4.7
227.18050	3.2
233.13177	3.5
237.16359	4.1
239.14519	2.6
239.17957	6.1
241.19470	6.1
251.18016	3.4
257.19006	7.6
259.20627	12.2
267.15900	3.8
275.20126	22.5
291.19540	2.8
315.23059	4.5
333.24295	10.0
335.26172	3.6
349.23682	9.1
350.64886	2.6
351.23566	3.9
411.28961	3.1
421.30835	4.6
439.32275	4.3
495.34827	4.3
513.36023	25.9
515.38062	5.9
527.37164	8.9
533.40253	6.0
551.40594	4.9
555.36737	2.9
607.43591	45.8
608.44012	3.5
625.44562	100.0
626.44647	5.8
649.44495	3.8
689.42114	4.9
697.12213	2.8
769.48083	7.8
787.49170	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	787.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	15.1
55.05260	3.0
55.05509	34.5
57.03431	11.6
57.07059	2.6
59.05003	2.1
61.02934	16.7
65.03937	3.7
65.12350	1.7
67.05504	66.9
69.03436	14.8
69.07069	25.4
70.75670	2.9
71.01334	1.7
71.04985	5.4
71.08608	1.8
73.02927	8.4
79.05492	47.2
81.03423	21.1
81.06579	3.5
81.07056	64.6
83.04963	6.4
83.08614	13.4
85.02897	14.3
85.06538	2.9
87.04441	1.9
91.03953	8.2
91.05480	53.1
93.07042	50.5
93.07630	3.4
95.04967	11.4
95.08602	43.7
97.02889	14.1
97.06526	14.8
97.10167	11.7
99.04459	3.5
99.08116	3.4
101.02349	2.4
103.05462	3.2
105.06396	3.1
105.07037	45.5
107.04937	5.6
107.08596	35.6
109.02866	5.2
109.06503	7.6
109.10162	25.7
111.08096	6.2
115.05426	4.3
117.07017	22.5
119.08590	31.8
121.06510	3.7
121.10143	20.8
123.08054	5.1
123.11722	9.9
125.09655	10.6
127.03915	5.1
128.06227	5.9
129.07019	20.6
130.07750	2.5
130.80142	1.7
131.08572	28.1
133.10129	24.8
135.08041	7.0
135.11659	13.7
137.09602	4.2
137.13214	2.5
141.06963	11.1
142.07753	3.3
143.08568	24.1
145.04871	1.7
145.10139	27.6
147.08028	3.4
147.11687	18.6
149.09624	6.5
149.13232	6.0
153.06935	2.8
153.09151	2.2
154.07721	2.3
155.08575	14.2
156.09346	2.2
157.10126	23.5
159.08000	2.6
159.11653	17.5
161.09636	2.3
161.13271	6.8
161.40303	1.6
163.11168	5.4
163.14882	3.4
167.08598	9.5
169.10124	20.2
169.12256	2.0
170.10785	2.1
171.11699	19.2
173.04411	3.8
173.09662	4.1
173.11873	2.7
173.13243	14.1
175.11198	3.0
175.14799	5.8
177.12814	3.0
179.08560	3.2
179.14450	2.0
181.10141	9.1
182.10851	3.5
183.11684	17.4
184.53616	1.7
185.13206	14.2
187.11105	4.2
187.13286	2.2
187.14828	6.1
189.11185	3.9
189.12740	1.8
189.16354	3.6
193.10156	4.0
195.11642	9.7
197.09583	2.8
197.11761	2.0
197.13228	13.1
199.11354	2.6
199.14807	9.5
201.12726	2.3
201.16382	4.2
205.10178	2.5
205.12132	1.9
207.11740	3.2
209.13229	11.5
211.14822	6.6
213.12631	2.0
213.16354	6.1
215.18163	2.0
215.89009	1.7
221.13284	3.9
223.14861	4.4
225.16417	5.5
227.12769	8.7
227.18085	2.9
227.20084	4.6
228.20499	3.2
229.14262	3.1
231.21017	2.2
233.13194	2.3
235.14804	3.7
237.16389	4.6
239.17960	5.6
241.19545	5.1
253.15764	1.7
253.19608	2.8
257.19019	5.5
259.20529	8.0
265.19305	1.9
267.21198	2.7
271.20410	2.2
273.18549	3.6
275.20142	15.8
291.19403	2.7
297.22031	2.1
309.22028	2.3
313.21582	2.7
333.24109	5.8
335.26016	2.3
349.23737	6.3
365.28345	4.1
379.30048	3.5
421.30923	4.4
429.30240	2.2
435.32739	2.8
439.31860	2.6
453.34311	2.4
463.31525	1.9
495.34512	4.9
499.34186	2.7
509.36557	2.2
513.35742	31.1
515.38501	6.4
525.35333	2.6
527.37103	6.2
533.39557	9.3
537.35980	3.1
551.40912	3.1
555.36890	2.5
589.42340	2.8
607.43530	43.7
608.43610	2.9
625.44598	100.0
626.44580	8.3
769.49042	3.3
787.49591	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	787.4966
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72448	6.2
55.01859	17.0
55.05511	36.6
57.03426	15.1
57.07077	14.6
61.02934	16.0
62.51081	6.2
67.05505	93.4
69.03426	25.2
69.07069	36.5
70.05991	28.5
71.04995	9.2
73.02918	14.6
74.56504	7.9
79.05488	55.0
81.03407	24.7
81.07052	75.9
83.04961	12.7
83.08621	29.0
85.02885	14.6
87.04485	13.9
89.06039	8.6
91.05495	50.0
93.07047	55.0
95.04951	21.0
95.08598	47.4
96.08997	7.3
97.02872	16.7
97.06539	18.9
97.10158	16.6
99.04450	13.6
105.07033	59.3
107.04943	12.2
107.08558	42.7
109.02882	7.6
109.06539	7.1
109.10134	23.6
115.05365	9.5
117.07036	21.4
119.08582	42.8
121.10157	18.5
123.11703	9.8
129.06999	23.3
131.08562	34.0
132.92232	6.6
133.08583	9.2
133.10152	21.0
135.08066	10.4
135.11688	14.0
139.04012	7.0
141.06966	11.7
143.08563	15.8
145.10112	32.5
147.11641	18.4
149.02414	8.8
155.08539	17.8
157.10158	20.0
159.11742	20.7
161.13260	26.1
167.08479	8.4
169.10150	17.1
171.11652	14.8
173.13199	13.5
178.16898	6.9
181.10135	15.8
183.11690	16.0
185.13321	13.8
187.14761	7.1
193.04817	9.9
195.11722	14.9
209.13388	16.5
211.14799	7.2
227.17973	13.6
227.20047	100.0
228.20435	53.4
259.20621	7.2
275.20203	16.3
307.16882	7.0
349.23737	9.2
472.53629	7.9
513.35809	25.8
521.37787	6.9
555.36829	9.0
607.00092	8.9
607.43909	44.2
625.44702	81.5
787.50433	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	787.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	34.1
55.05500	27.4
57.03424	10.9
65.03926	8.2
67.05500	83.1
69.03411	9.4
69.07069	43.3
79.05142	5.0
79.05496	66.6
81.03411	17.1
81.07051	91.7
83.04948	8.6
83.08607	10.3
85.02882	6.1
91.05488	76.2
93.07047	59.6
95.04967	20.3
95.08607	48.8
97.06530	51.8
97.10201	6.5
105.07039	100.0
107.04955	21.4
107.08591	36.9
109.06484	6.8
109.10147	20.7
117.07011	31.6
119.08589	57.7
121.06481	7.1
121.10133	14.0
123.08012	7.0
123.11688	6.9
125.09633	7.2
129.06998	15.4
131.08546	34.8
133.10127	51.1
135.08073	5.7
135.11688	15.9
137.09583	7.7
143.08505	11.5
145.10135	26.7
147.11678	25.1
149.13271	8.5
157.10135	12.4
159.11679	23.3
161.13249	20.3
169.10138	12.8
171.11673	15.0
173.13266	17.3
177.12770	7.7
179.14256	13.6
183.11693	8.9
185.04344	6.8
185.13199	8.1
197.13205	7.8
198.87039	5.0
199.14647	9.1
229.14319	9.8
229.33969	6.4
231.82176	5.7
241.19376	9.0
257.18982	13.1
259.20636	20.1
275.20065	62.1
278.55716	5.3
313.13284	7.1
333.24283	37.1
335.25784	15.5
336.26007	13.0
349.23700	42.9
353.29254	6.4
513.35223	6.7
607.43451	61.5
625.44629	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	787.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	20.6
55.05511	43.9
57.03431	19.3
67.05502	100.0
69.03417	22.1
69.07062	26.3
69.97075	15.6
69.97483	39.5
71.04990	11.6
79.05493	64.7
81.03400	33.8
81.07069	61.1
83.04995	9.6
83.08618	16.5
85.02895	22.0
91.05467	70.8
93.07043	82.7
95.04971	11.3
95.08610	56.2
95.11803	8.2
97.02866	11.9
97.06549	10.0
98.21384	11.2
105.07027	50.3
107.08598	32.3
109.02889	10.0
109.06566	13.8
109.10151	37.3
117.07009	30.9
119.08569	38.2
121.10152	23.1
123.08054	14.6
125.09606	15.2
127.03915	13.4
129.07037	18.1
131.08582	25.8
133.10132	19.5
135.11670	14.3
140.58368	8.3
141.06927	14.1
143.08565	15.4
145.10127	32.8
147.11705	18.1
149.13254	11.3
155.08533	16.7
157.10141	18.0
159.11639	14.4
161.13135	8.1
169.10178	20.8
169.92865	8.7
171.11691	27.7
183.11720	13.2
185.13342	13.1
193.09872	7.9
195.11732	22.3
197.13390	14.1
199.14844	9.5
209.13345	10.9
229.14322	9.3
261.22058	8.1
268.72937	7.7
275.19986	8.7
335.25787	18.7
357.86444	8.9
368.82260	8.1
513.35870	15.8
607.43427	46.1
625.44324	67.5
783.47546	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	787.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	26.6
55.05511	36.9
57.03428	22.3
57.07063	5.5
61.02919	10.4
65.03938	4.1
65.78606	2.7
67.05502	98.2
69.03421	24.4
69.07069	44.4
69.94656	16.4
71.01326	3.2
71.04966	9.8
73.02908	4.4
79.05487	77.7
81.03416	45.3
81.07056	100.0
83.04978	18.2
83.08628	20.2
85.02903	13.6
85.06514	6.6
91.03941	4.7
91.05479	87.3
93.06467	5.4
93.07037	73.7
95.04984	21.3
95.08051	5.6
95.08601	61.8
97.02901	18.7
97.06522	34.9
97.10143	8.3
98.20856	4.5
99.04435	5.6
99.08078	3.3
103.05457	5.6
105.07035	83.3
107.04945	14.7
107.08591	41.6
107.17248	2.7
109.02860	8.8
109.06509	8.8
109.10153	28.5
110.45772	2.6
111.04414	4.9
111.08057	5.1
115.05459	7.0
117.07015	30.3
119.08575	57.5
121.06482	5.7
121.10123	30.2
123.04408	3.2
123.08055	7.9
123.11691	11.1
125.09562	4.1
127.03908	7.5
129.05476	4.0
129.07005	21.7
131.08563	49.5
133.06482	6.1
133.09233	4.8
133.10132	52.4
135.08041	9.2
135.11684	15.9
137.09593	6.2
139.07455	3.2
141.06972	5.9
142.07771	5.7
143.08559	26.0
145.06436	3.7
145.10104	39.4
147.07999	3.9
147.11693	32.5
149.09590	11.8
149.13272	9.9
151.11197	5.8
154.07797	3.9
155.08542	15.9
156.09338	3.8
157.10158	23.1
159.11670	25.2
161.13269	17.6
163.11140	7.5
163.14725	4.9
165.06868	3.9
165.12802	5.4
167.08536	5.4
169.10095	15.6
171.11693	22.1
173.04437	13.1
173.09570	3.0
173.11868	3.8
173.13254	12.0
175.11188	5.4
175.14835	8.7
177.12753	5.8
179.14250	5.5
181.10114	8.9
183.11681	16.8
185.13235	14.0
187.11143	3.7
187.14841	9.5
191.14426	3.0
193.10136	3.2
195.11713	8.1
195.13866	3.1
197.13249	7.9
199.11340	3.0
199.14839	4.1
207.11674	5.3
211.14819	6.3
213.16322	3.6
221.13174	4.4
223.14915	4.7
225.16382	4.4
235.14857	3.3
237.16316	4.7
241.19472	10.8
257.19046	10.0
259.20612	15.9
267.15924	10.6
271.20544	4.5
273.18460	6.9
275.17288	3.7
275.20093	44.1
277.21631	3.3
283.20319	3.9
297.22095	3.3
301.21631	3.3
311.20038	3.0
313.21484	3.3
315.23056	5.2
329.24835	3.6
333.24200	21.8
335.25681	10.0
339.23077	3.0
349.23795	19.7
385.19308	3.0
385.23892	4.2
413.21713	3.8
435.32138	4.4
441.25604	3.5
513.36029	5.1
515.37897	4.9
527.37201	14.5
533.39795	4.6
597.44836	4.2
607.43610	45.8
608.43634	4.1
625.44452	47.3
626.45032	4.6
653.39948	3.4
689.42188	8.4
733.45740	4.4
751.47412	5.1
769.48193	7.8
787.47400	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	787.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.7
55.05512	32.2
57.03439	14.2
57.07081	4.0
61.02917	8.0
65.03925	6.4
65.36890	2.4
67.05504	79.3
69.03427	11.5
69.07069	21.6
69.92143	16.9
71.04985	4.3
73.02912	2.9
79.05063	4.6
79.05497	67.6
81.03401	8.2
81.07053	78.7
83.04974	8.8
83.08621	18.7
85.02884	8.6
85.06532	5.3
86.16555	2.6
91.03954	3.8
91.04906	3.7
91.05478	71.0
93.07046	64.1
95.04975	16.1
95.08611	53.4
97.02879	8.4
97.06514	6.6
97.10175	6.8
102.26637	2.6
103.05457	3.4
105.07040	59.0
107.04945	7.3
107.08595	28.6
109.06498	11.2
109.10153	18.5
111.08087	4.0
115.05454	7.8
116.06217	3.9
117.06340	3.5
117.07028	42.0
119.05003	3.1
119.08568	33.5
121.06506	5.5
121.10162	26.0
123.08060	9.5
123.11660	5.6
125.09600	3.2
127.03966	3.7
128.06258	15.4
129.07005	26.0
129.57159	2.5
130.07794	5.9
131.08569	53.1
133.06508	13.6
133.10149	22.0
135.08041	6.4
135.11699	12.4
137.09586	2.9
141.07002	7.8
142.07733	3.9
143.08548	46.5
145.06468	4.5
145.10129	60.3
147.08052	11.6
147.11732	12.7
149.09621	8.1
149.13269	5.9
155.08499	6.2
157.10135	25.1
159.08118	6.0
159.11696	19.0
161.09605	10.2
161.13240	7.0
163.11217	9.7
163.14873	3.2
167.08583	4.7
169.10139	10.5
171.11676	13.2
173.09514	4.7
173.13284	5.9
175.11174	9.5
177.12735	3.3
181.10118	9.1
183.11646	7.3
183.77324	2.4
185.09581	5.7
185.13251	11.4
187.11198	4.4
189.12769	2.8
195.11679	9.8
199.14822	2.9
209.13477	2.8
227.14453	3.1
227.17949	9.0
237.16379	12.1
245.19040	7.9
255.17427	21.1
261.22186	4.9
273.18481	77.7
291.19531	5.7
329.21069	6.4
335.25803	100.0
336.26230	4.4
347.22107	33.8
349.19357	3.0
607.43555	34.2
608.44049	3.1
610.56940	3.7
625.44525	9.0
787.46130	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	786.4618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	19.8
55.05509	28.2
55.18840	3.7
57.03432	12.0
61.02927	6.3
61.16912	4.0
65.03931	10.4
67.05502	100.0
69.03429	8.4
69.07066	42.2
71.04990	10.4
79.05488	79.6
81.03421	18.5
81.07056	67.3
83.04964	12.9
83.08629	13.8
85.02905	5.5
85.06552	5.9
91.05478	83.9
93.07037	81.8
94.07376	4.5
95.04946	26.7
95.08597	48.2
97.02863	6.7
97.06521	25.7
97.10148	7.4
105.04509	4.1
105.07034	61.4
107.04947	14.9
107.08604	31.7
109.06513	11.2
109.10147	28.6
111.08106	3.7
117.07014	17.0
119.08589	47.3
119.51151	3.3
120.34731	4.3
121.06479	8.3
121.10135	6.9
123.08011	8.8
125.09647	4.7
128.06184	3.8
129.06982	20.7
131.08534	18.2
133.10130	24.4
135.08110	5.2
135.11722	5.2
137.09639	11.8
143.08563	14.4
145.10101	28.0
147.11671	41.8
149.09601	13.2
151.11273	4.4
157.10117	6.7
159.11665	12.3
159.70134	4.1
161.09651	9.3
161.13268	12.8
163.11150	8.2
171.11676	25.7
173.04637	4.0
173.11829	7.9
173.13266	6.0
174.04469	3.7
189.12718	10.8
207.11992	7.1
207.13730	29.2
223.76950	3.9
229.14359	7.9
257.19098	6.8
275.20029	31.7
281.17413	40.8
291.19476	10.5
293.06732	3.9
293.20724	6.0
294.97577	4.0
296.85883	4.3
331.22290	4.3
343.14307	4.3
349.23706	25.4
377.23447	4.6
435.27133	24.6
472.65405	4.1
475.30649	4.9
496.25897	4.5
555.36652	42.6
633.80200	4.4
698.11115	5.7
786.47498	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	785.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.2
55.05516	24.0
57.01537	2.1
57.03426	8.5
57.07074	3.8
65.03948	3.5
67.05173	3.8
67.05505	42.3
69.03445	4.1
69.07073	19.3
69.29515	21.6
71.01354	8.1
73.02918	17.2
79.05495	28.6
81.03411	2.9
81.07056	41.0
83.04963	3.5
83.08615	10.7
85.02908	25.4
85.06534	2.9
91.05478	24.8
93.07043	28.7
95.01321	8.1
95.04974	7.5
95.08614	27.1
97.02918	4.8
97.06537	2.2
97.10184	5.9
99.00852	2.6
101.02383	4.5
103.03939	2.4
105.07032	25.2
107.08593	20.3
109.06549	1.9
109.10144	14.2
111.08083	2.6
113.02376	7.6
117.07018	16.9
119.08585	27.6
121.10144	12.6
123.11726	3.0
125.09631	2.1
128.06213	4.4
129.07010	16.6
129.75671	2.0
131.03387	7.6
131.08571	23.3
133.10159	14.8
135.11720	7.3
137.09532	1.8
141.01834	13.8
141.06996	7.6
142.07730	4.3
143.08537	20.3
145.10138	21.6
147.11652	9.4
149.13229	2.8
154.07751	2.5
155.08542	13.8
156.09360	3.7
157.10138	19.9
159.11693	18.6
161.13272	6.2
163.14801	3.4
165.07083	2.5
167.08575	10.4
169.10159	18.9
171.11687	22.0
173.13258	7.5
175.14845	4.6
179.08473	2.7
180.15652	1.9
181.10146	13.1
183.11710	20.2
183.59570	2.0
185.13268	10.9
187.14835	7.1
189.16403	2.4
193.10164	7.0
195.11670	11.6
196.53009	1.8
197.13240	12.4
199.14850	7.1
201.16319	4.1
205.10097	2.9
207.11740	4.7
209.13234	10.1
211.14833	7.5
213.16327	4.9
219.11797	2.5
221.13246	5.7
223.14857	9.1
225.16380	7.2
229.91556	1.9
235.14777	3.2
237.16370	5.6
239.17816	2.8
241.19727	2.1
249.16548	2.6
251.18031	2.3
271.16772	2.2
323.23688	2.8
348.76288	1.9
351.26752	3.9
409.30988	2.5
439.32040	2.5
447.32617	2.7
499.39529	2.7
515.37817	3.3
517.40680	12.2
527.38379	2.8
535.41217	8.1
539.37335	3.5
591.43976	17.2
591.53003	2.8
609.45105	100.0
610.45337	4.0
618.08215	2.0
785.48273	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	785.483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	26.1
55.02103	5.0
55.05515	44.1
57.03434	16.9
57.07078	8.6
61.02923	5.7
61.04545	4.6
65.03940	6.4
67.05505	95.4
69.03426	22.6
69.07067	39.9
70.65401	10.4
70.65758	8.4
71.04990	8.7
73.02911	8.3
78.96406	4.3
79.05493	83.4
81.03419	56.6
81.07056	100.0
83.04993	27.0
83.08605	21.4
85.02902	13.6
85.06561	5.4
89.06023	5.0
89.37910	3.6
91.05482	92.0
93.07046	79.3
94.06573	5.5
95.04977	30.2
95.08614	64.2
97.02893	18.4
97.06535	38.1
97.10175	14.3
99.04453	7.8
105.07030	88.7
107.04935	22.3
107.08598	57.2
109.02905	9.5
109.06523	13.8
109.10150	30.3
111.08100	11.9
115.05509	5.1
117.07021	25.2
119.08578	63.5
121.06488	15.0
121.10143	23.8
123.04408	7.5
123.08062	10.9
123.11717	6.0
125.09673	6.4
127.03938	11.7
128.06215	4.7
129.07002	21.9
131.08591	52.0
133.06503	7.2
133.10152	47.3
135.08090	11.7
135.11696	19.1
141.06972	10.3
142.07820	4.3
143.08595	37.1
145.06506	7.4
145.10115	45.7
147.08054	10.5
147.11673	25.9
149.09650	16.1
149.13268	9.3
154.07639	6.2
155.08571	16.1
157.10133	21.4
159.08043	7.5
159.11649	22.6
161.09583	9.6
161.13280	7.2
163.11145	9.6
167.08597	11.8
169.10126	17.6
171.08052	7.6
171.11679	15.0
173.04465	13.8
173.09619	4.8
173.13274	12.6
175.11214	6.2
177.12744	9.7
179.14403	7.4
181.10120	9.9
183.11714	15.4
183.75499	4.4
185.09598	6.0
185.13264	8.7
187.11185	6.9
189.11313	4.5
189.12924	5.1
193.10217	6.6
195.11687	15.0
197.09688	5.3
197.13287	11.4
199.14864	7.9
201.16545	4.6
205.10246	4.9
207.11707	5.7
209.13228	9.1
221.13254	6.5
223.14919	8.6
227.12878	5.8
227.19977	6.1
247.20540	5.0
257.19016	11.9
259.20566	5.2
267.71378	4.1
273.18564	13.7
275.20062	69.6
299.19989	4.8
347.22595	4.3
349.23773	23.0
351.23041	4.9
382.44913	4.3
531.37976	11.2
537.35785	4.2
543.37030	5.3
549.39288	9.7
574.64343	4.5
595.43848	14.7
605.42206	35.5
606.41748	6.2
623.43060	52.1
644.59003	5.0
767.46222	10.1
785.48053	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	785.4824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	15.4
55.05261	5.0
55.05508	66.5
57.03435	16.8
57.03666	3.0
57.07074	3.6
61.02912	13.3
65.03934	9.0
67.05503	75.0
69.03427	18.0
69.07067	26.5
69.88632	14.9
69.89054	5.0
71.04971	5.7
73.02905	8.8
77.03935	3.1
79.05490	65.6
79.74973	3.5
81.03407	23.5
81.06587	4.0
81.07056	61.8
83.04974	8.7
83.08620	26.3
85.02905	17.0
85.06491	3.7
91.03935	4.1
91.05477	52.4
93.07042	48.9
93.13677	3.0
95.04987	16.7
95.08600	46.3
97.02892	14.9
97.06522	6.6
97.10166	28.6
98.20817	4.0
103.05429	4.7
105.07020	38.8
107.04957	7.9
107.08582	40.1
109.02856	5.8
109.06483	8.4
109.10165	24.1
111.04369	3.1
111.08049	3.2
115.05441	6.4
117.07011	29.0
119.08583	36.1
121.10182	15.7
123.08067	8.1
123.11720	5.0
125.09615	33.8
127.03881	7.4
128.06218	7.2
129.07008	26.0
130.07787	4.3
131.08536	30.5
133.06505	3.6
133.10117	24.3
135.08040	8.2
135.11685	7.5
137.09621	3.8
141.06990	14.4
142.07755	8.3
143.08560	31.4
144.09343	3.7
145.06493	9.3
145.10107	23.7
147.08015	4.7
147.11705	18.2
149.09622	6.0
153.07031	6.1
153.09004	3.3
154.07777	6.1
155.08521	22.2
156.09373	4.8
157.06528	3.4
157.10086	26.2
159.11661	14.2
161.13194	4.6
165.06992	8.5
167.08551	19.0
169.10080	18.7
171.08008	7.0
171.11674	19.8
173.04449	3.7
173.09517	3.4
173.11841	4.5
173.13281	8.4
175.11151	6.7
178.07668	3.0
179.08560	6.1
181.10176	14.9
183.11679	25.4
185.09610	6.3
185.13268	11.5
187.11217	4.2
187.14851	5.5
188.43997	3.6
189.11185	17.5
193.10118	10.0
193.12019	3.3
195.11703	12.9
197.09523	3.1
197.13260	17.2
199.11203	4.9
199.14871	8.7
201.16400	4.0
205.10193	4.5
207.11659	11.5
209.13272	13.1
211.11197	5.8
211.14847	10.0
213.16313	4.5
219.11694	5.2
221.13208	10.2
223.14825	7.9
225.16331	5.7
227.12802	12.5
227.18063	4.8
235.14766	6.9
237.12469	3.5
237.16522	4.9
239.18063	4.3
267.20874	4.2
271.16782	4.1
273.18491	6.2
275.20163	5.6
291.19577	14.0
299.19888	3.4
309.22250	4.2
323.23700	3.3
357.40097	2.8
365.24033	3.4
379.29980	10.7
461.30469	4.1
513.36267	4.5
523.33838	4.3
531.38324	9.8
549.39325	4.9
554.35803	6.9
577.35284	3.6
605.42096	28.8
623.43018	100.0
624.42798	4.2
767.46356	8.2
785.48242	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	785.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.5
55.05514	10.4
57.03436	6.8
57.07069	1.2
61.02925	25.1
61.31808	0.9
65.03933	1.8
67.05502	26.2
69.03432	6.8
69.07059	10.7
71.01290	0.8
71.04977	2.5
73.02911	6.6
79.05489	22.5
81.03422	5.8
81.07057	24.7
81.10995	1.0
83.04959	2.1
83.08610	7.8
85.02905	26.1
85.06532	1.9
91.03956	13.7
91.04905	1.5
91.05476	27.8
93.07042	20.4
95.04961	6.6
95.08609	16.1
97.02889	18.4
97.06522	4.1
97.10168	2.6
98.21608	1.5
99.04468	1.2
101.02389	1.1
103.05473	1.6
105.06383	1.7
105.07030	23.1
107.04937	4.7
107.08591	10.4
109.02869	2.0
109.06516	3.8
109.10150	7.0
111.08089	4.1
115.03952	1.2
115.05447	3.4
116.06181	0.9
117.07014	18.0
119.04887	1.8
119.08574	12.2
121.06522	5.1
121.10130	6.3
123.08064	3.2
125.09633	1.3
127.03886	6.4
128.06215	4.1
129.07004	21.5
131.04910	1.1
131.07579	1.8
131.08559	28.3
133.06488	3.1
133.10126	10.4
135.08028	2.5
135.11678	4.1
135.12625	0.9
137.05919	1.2
137.09599	1.7
139.03870	3.1
141.06984	11.7
142.07791	2.1
143.08559	17.8
144.09290	1.0
145.04944	3.0
145.06493	6.8
145.10126	12.3
147.08061	4.6
147.11696	5.0
149.09622	4.9
149.13292	1.6
151.11168	1.7
153.07028	1.5
154.07758	1.6
155.08557	13.5
157.06468	2.2
157.10114	9.0
159.08022	4.6
159.11684	10.0
161.09674	2.6
161.13245	1.5
163.06035	2.5
163.11157	1.6
165.07013	3.0
166.07813	1.2
167.08582	7.9
168.09329	1.2
169.10101	10.7
171.08051	2.7
171.11700	7.4
173.09612	2.6
173.13243	2.5
175.11188	3.8
177.12750	2.8
179.08556	3.6
180.09369	1.1
181.10115	8.1
183.08110	1.3
183.11658	7.2
185.09563	2.4
185.13284	5.1
187.11206	2.5
187.14835	2.4
189.12668	1.1
191.08626	1.4
193.10124	3.7
193.11954	0.9
195.11731	8.8
197.09662	1.7
197.13280	5.4
199.11217	1.2
199.14876	2.0
201.12720	1.7
203.14418	1.5
207.11664	2.5
207.13617	0.9
208.12407	1.6
209.09535	1.0
209.13264	6.2
211.11406	1.2
211.14832	2.8
213.12877	1.7
213.16327	1.0
215.14334	2.9
217.12189	1.0
221.13310	5.3
223.14824	5.6
225.12781	1.7
225.16364	1.8
227.14336	1.3
229.16071	1.4
231.13820	1.1
231.17401	1.3
235.14790	3.3
237.16417	1.3
239.14360	5.1
241.15901	1.7
243.13777	1.6
249.16542	1.3
253.15900	2.6
257.15430	1.8
259.16937	2.1
271.16989	2.9
285.18433	1.3
305.22452	1.4
323.23578	4.3
333.22147	9.7
341.24771	4.6
351.23145	29.9
352.23737	1.3
363.22986	1.4
369.24243	23.9
387.25217	12.4
407.26297	1.5
415.28519	1.0
425.26831	6.4
443.27921	100.0
444.28409	4.2
461.28967	53.7
462.29382	2.1
485.29065	2.2
492.65176	1.1
503.29944	1.7
527.30011	1.0
531.29608	1.1
551.30286	1.4
551.94434	1.0
587.31891	2.6
605.33112	2.4
623.33752	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	781.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
62.01742	0.9
68.72546	0.9
69.88539	0.8
71.58773	1.1
72.85740	1.0
76.97782	1.2
354.51578	1.2
356.12827	1.1
409.31512	1.2
459.03210	1.0
517.39520	1.0
781.50720	100.0
782.50861	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	785.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	12.2
57.03435	6.6
61.02917	22.4
67.05490	23.5
69.03426	9.6
69.07069	8.3
69.44436	53.9
79.05483	20.2
81.07050	22.5
85.02888	29.8
86.17921	5.4
91.03966	18.2
91.05470	31.8
93.07033	21.5
95.04959	9.4
95.08619	16.1
96.02534	5.1
97.02899	16.4
98.21515	9.7
98.22810	6.1
105.07037	26.1
107.08606	7.4
109.10121	8.1
115.05476	7.2
117.07033	17.7
119.08566	12.4
121.06423	5.5
121.10125	8.1
121.61104	6.6
127.03957	7.6
129.06998	25.4
131.08533	21.4
133.06549	7.9
133.10075	7.0
141.07016	19.3
142.79909	5.3
143.08572	23.0
145.04919	6.7
145.10103	13.0
155.08545	16.0
157.10123	16.0
159.11633	7.3
167.08516	8.4
169.10159	8.1
171.11612	8.5
181.10112	9.4
183.11617	11.0
195.11743	10.7
221.13409	7.8
235.14963	6.2
245.81828	6.7
256.69199	6.8
351.23224	28.8
369.24298	22.7
387.25540	8.9
399.69119	5.6
443.27921	100.0
461.28918	60.9
523.89630	6.9
733.32690	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	781.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	14.5
57.03443	9.5
57.07069	2.7
59.04997	1.2
61.02926	2.0
62.76737	1.1
66.23268	1.2
67.05169	1.6
67.05504	16.0
68.99787	1.5
69.03419	6.9
69.07059	13.0
71.01341	6.0
71.04988	29.7
73.02907	7.8
74.99461	1.2
75.04478	7.5
79.05476	8.7
81.03409	2.0
81.07056	32.0
81.07529	2.5
81.08480	1.2
83.04478	2.6
83.04980	59.2
83.08609	7.8
85.02902	100.0
87.04468	3.0
91.05473	10.4
93.07040	25.8
95.01324	31.3
95.04971	4.5
95.08601	67.7
96.08952	1.5
96.26737	1.2
97.02899	7.1
97.06536	3.4
97.10162	4.0
99.00831	3.3
99.04455	2.3
101.02388	1.4
101.06010	2.0
103.03932	3.3
105.07017	25.0
107.04947	1.4
107.08588	47.1
109.02874	3.6
109.06521	2.4
109.10153	49.7
111.04435	49.5
111.08073	12.3
111.11708	3.1
113.02332	5.7
113.05973	1.4
115.03964	1.7
117.07046	2.1
119.08570	34.5
121.10136	34.4
123.11693	16.7
125.02406	1.3
125.09644	2.3
127.03839	1.4
129.05472	26.4
129.06961	1.2
131.03415	3.9
131.08583	9.5
133.10123	32.1
133.11093	2.3
135.11684	28.2
137.02354	1.4
137.05989	1.4
137.09645	1.3
137.13258	5.6
139.03886	1.3
139.11156	7.3
141.01819	78.5
143.08549	2.1
145.10112	15.7
145.11150	1.6
147.06516	16.9
147.11687	25.4
149.13246	21.8
151.11168	2.9
151.14851	1.7
153.05507	1.5
157.04961	2.8
157.10120	2.6
159.02902	15.8
159.11685	17.5
161.13239	22.9
163.11154	1.9
163.14812	22.4
165.07628	1.6
165.12753	2.4
171.06615	1.6
171.11703	4.6
173.13268	13.2
175.14815	22.1
177.03970	4.1
177.12753	1.3
177.16373	17.1
179.18019	1.4
183.02922	2.7
184.07285	2.2
185.13264	2.1
187.14824	13.8
189.16379	19.2
191.14319	1.5
191.17963	7.7
193.15930	6.0
195.17409	7.0
198.04077	1.1
199.14828	3.3
201.03979	2.7
201.16347	15.2
203.17943	33.5
205.15881	6.3
205.19525	3.5
207.17474	10.3
213.16348	4.4
215.17952	15.5
217.16083	1.7
217.19479	19.0
219.17424	13.3
221.19031	12.6
227.17960	6.8
229.19508	18.5
229.82262	1.2
231.17467	1.7
231.21144	2.7
233.18983	10.4
235.20578	1.6
241.07074	3.2
241.19521	3.4
243.05022	1.3
243.21080	5.3
245.19031	3.6
247.20526	15.4
251.05486	2.2
255.21068	1.9
257.22739	6.4
259.08102	3.6
259.20657	2.2
261.22238	3.6
267.21100	1.2
269.06583	7.9
269.22632	3.9
271.23999	2.0
273.22150	4.1
275.23691	3.9
281.22507	1.7
283.24152	3.4
287.07706	8.7
287.23685	2.6
295.24313	1.5
297.25751	1.4
301.25497	1.4
305.08646	22.2
311.27325	1.5
313.25241	3.1
315.26721	2.2
323.09766	3.1
329.28381	2.8
351.30753	1.3
365.32037	4.7
379.21176	1.7
383.33023	6.5
405.35135	15.0
411.36234	4.5
423.36197	78.6
424.36578	5.7
441.37265	64.2
442.37726	3.8
581.37811	3.4
599.39526	7.5
625.57739	1.2
707.62439	1.2
767.20776	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.5
55.05506	13.9
56.05037	7.1
57.03430	7.1
57.03956	1.2
59.04979	1.5
61.02926	12.9
65.03947	1.7
67.04249	3.1
67.05502	16.9
69.03421	7.4
69.07049	5.3
69.99861	1.3
70.06599	1.9
70.61804	1.2
70.72113	4.0
71.04984	5.6
73.02917	3.7
74.06079	45.0
77.37228	1.2
79.05489	19.1
80.05011	6.2
81.03415	68.2
81.05783	1.9
81.07055	18.8
82.06578	53.2
82.07068	2.6
83.04976	16.6
83.08613	17.1
85.02908	13.7
85.06535	1.5
91.03952	3.3
91.05476	19.0
93.05793	2.4
93.07038	16.2
94.06567	45.0
95.04964	24.5
95.07320	1.4
95.08613	8.4
96.08128	6.6
97.02892	8.0
97.06517	4.0
97.10157	4.3
98.06040	2.7
100.07601	9.0
105.07036	15.4
107.04938	6.3
107.08589	6.0
108.08124	6.9
109.06498	3.7
109.10152	3.8
110.06052	3.9
111.04443	2.3
111.08072	6.4
112.07581	2.4
115.05417	2.7
117.07053	3.4
117.40259	1.3
119.08568	13.3
120.08103	5.3
121.06498	3.1
121.10130	8.4
122.06049	4.0
122.09573	1.7
123.04446	1.3
123.08061	1.9
124.07583	4.2
125.09660	2.6
127.03958	1.8
128.06172	1.3
128.07069	3.4
129.06993	8.2
131.08554	11.2
132.08083	3.4
133.06505	3.4
133.10172	6.4
134.09636	3.0
136.07582	15.7
137.05975	3.5
137.09616	1.6
140.07068	1.7
142.07785	3.9
145.10114	1.8
146.09557	1.8
147.08043	3.4
147.11676	6.5
149.08553	1.5
149.09567	8.2
150.09145	3.9
151.11191	1.4
152.07028	2.7
157.10117	10.9
160.11214	1.7
163.11235	2.1
166.12244	1.7
167.06969	1.5
175.11180	9.1
184.13274	1.5
193.12233	26.8
193.13889	2.4
202.15987	2.6
211.13271	7.2
220.16933	24.9
222.15022	2.4
230.15405	12.4
238.18053	4.7
248.16455	67.8
249.16917	2.0
259.15414	1.6
266.17453	9.4
267.15915	84.7
268.16321	2.2
269.17560	2.6
278.17490	4.4
285.16849	9.3
304.19046	5.2
322.20038	6.1
340.21222	4.4
358.22260	2.4
385.23660	2.1
412.12848	1.3
459.27377	26.4
461.29007	2.9
477.28558	11.9
481.62936	1.5
514.31836	2.3
532.32672	21.0
550.33820	19.5
568.34857	65.2
569.35272	2.4
586.36053	2.0
600.37598	2.9
642.88324	1.6
664.37317	1.4
712.38654	6.5
730.40063	100.0
731.39905	5.1
748.40381	2.9
762.42706	18.3
780.43756	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	779.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.5
57.03434	3.1
59.05003	0.5
61.02925	5.8
67.05496	5.4
69.03426	4.3
69.07078	1.4
69.91413	3.0
71.04996	1.2
73.02924	3.9
79.05488	4.2
81.03423	4.0
81.07049	5.4
82.11274	0.5
83.01373	0.6
83.04987	0.7
83.08611	0.9
85.02902	7.1
87.04446	1.1
91.03947	3.8
91.05482	3.3
93.07027	4.5
95.04997	1.3
95.08613	3.4
97.02888	5.0
99.04480	0.8
101.02400	1.3
105.07045	2.3
107.08582	2.4
109.02904	1.0
109.06508	0.7
109.10149	1.2
119.08595	1.2
121.10135	2.6
123.11684	0.5
123.47810	0.5
127.03932	1.7
129.06998	0.6
131.08597	1.6
133.10162	0.9
135.11751	0.8
145.10107	0.9
147.11757	0.7
149.09627	1.3
157.10237	0.8
240.06047	0.5
243.08446	2.1
267.15823	0.5
283.15179	4.8
335.25690	0.6
339.18042	1.4
501.22980	8.0
519.29224	9.8
779.45447	100.0
780.45557	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	779.419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	4.3
56.49601	2.3
58.98379	2.5
61.02914	11.0
67.05483	7.9
67.32529	2.5
69.03419	5.0
71.04981	2.7
73.02908	9.5
79.05483	7.3
81.03414	9.2
81.07055	7.8
83.04987	3.2
85.02898	9.7
91.03938	4.1
91.05477	7.2
93.07046	7.8
95.04937	5.7
95.08590	4.3
97.02906	6.8
103.91703	2.4
104.10779	2.7
105.07046	6.2
107.08585	4.8
109.06551	2.6
109.10139	3.0
117.07047	2.4
119.08593	5.1
121.10132	4.1
127.03916	5.7
129.06998	3.4
133.10147	5.6
147.11646	3.2
149.09663	2.6
156.25639	2.3
161.13150	3.0
184.07384	2.6
185.04204	2.7
243.08420	4.1
300.99796	2.6
301.08841	7.2
315.10669	3.0
385.17947	4.7
465.20914	8.2
469.20529	26.4
525.22980	7.6
533.27136	2.6
535.29053	7.7
607.31030	4.3
609.32184	3.5
693.34485	100.0
694.35114	5.6
761.40521	11.3
779.41553	79.2
780.41547	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	779.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04974	0.5
55.05513	2.1
55.16034	0.5
57.02940	0.5
57.03429	2.1
61.02929	4.4
63.89885	0.5
65.99833	0.5
67.05505	3.8
69.03445	3.1
69.07079	1.0
70.76257	1.0
70.76591	0.7
71.01327	0.7
73.02915	4.2
77.61339	0.6
79.05491	3.7
81.03418	3.9
81.07057	4.7
83.04995	1.1
83.08628	1.6
85.02908	5.6
91.03952	2.7
91.05485	4.5
93.07056	3.0
95.04984	1.8
95.08607	1.6
97.02887	3.7
97.06543	0.7
99.04480	1.1
101.02386	2.5
105.07041	2.8
107.04971	0.8
107.08613	1.6
109.02904	0.6
109.06515	0.6
109.10159	0.9
111.08104	0.5
115.03882	0.6
117.07066	0.7
119.08622	1.8
121.10170	1.7
127.03928	1.0
129.07001	0.8
131.08553	1.3
133.10159	2.0
147.11697	1.1
151.14687	0.5
157.10109	0.6
175.11223	1.5
184.07436	1.4
193.12312	0.7
243.08482	2.2
251.12636	1.4
269.12482	0.8
277.34540	0.5
282.20856	0.5
300.58264	0.6
301.19171	0.5
307.15463	0.6
333.20303	1.4
412.32416	0.5
439.19839	0.7
462.56952	0.6
469.20389	9.8
470.20743	0.7
535.96558	0.6
551.28448	4.8
681.35236	1.0
779.41833	100.0
780.42322	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	777.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.1
55.05499	2.6
57.03423	2.7
61.02930	5.2
67.05503	6.6
69.03423	3.6
69.07059	3.3
70.02497	4.5
71.04990	1.7
71.75884	0.9
73.02934	4.3
79.05507	5.2
81.03414	5.2
81.07052	6.8
83.04980	2.5
83.08620	1.3
85.02908	6.8
88.21999	0.9
91.03956	3.4
91.05485	6.8
93.07056	4.2
95.04972	3.3
95.08621	4.2
97.02886	5.8
97.06544	0.9
97.60974	0.9
98.97622	1.4
101.02364	2.2
105.07042	4.1
107.04943	1.1
107.08601	3.1
109.02848	1.0
109.06528	1.3
109.10162	1.8
117.07005	1.1
118.41887	0.8
119.08612	2.5
121.10121	1.1
127.03935	2.1
129.07010	1.8
131.08606	2.0
133.10132	3.9
135.08133	1.0
143.08537	1.3
147.11780	1.9
157.10130	1.2
175.11235	1.0
184.07428	1.6
193.12303	1.6
211.13362	1.1
243.08492	3.2
251.12624	1.7
285.10202	1.1
301.08771	1.1
321.04825	0.9
331.18732	1.9
451.19571	1.5
469.20435	8.9
531.25531	2.2
541.22186	1.5
549.26642	5.9
679.33057	3.4
727.59467	1.0
759.39307	10.6
777.40302	100.0
778.40460	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	779.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	4.7
67.05502	10.3
69.07072	3.4
69.27211	2.2
69.27619	18.2
71.05027	1.7
79.05502	14.4
81.07054	8.9
85.02925	1.6
91.05480	18.0
93.07040	7.9
95.01945	2.0
95.04963	3.4
95.08590	4.8
98.20736	4.9
105.07020	13.4
107.08612	3.7
109.10231	1.8
117.07030	6.8
119.08593	6.4
120.96643	9.3
128.06227	3.3
129.07016	4.9
129.32013	1.6
131.08604	5.8
133.10146	3.7
143.08592	3.3
145.10149	2.8
147.11685	2.2
156.97481	3.8
159.11668	2.2
174.98593	4.7
176.99248	3.6
201.09752	3.4
213.00041	2.3
265.12799	6.0
283.13855	7.9
309.07202	1.9
315.18198	5.1
333.19150	11.1
345.09692	2.5
351.20142	3.1
356.20807	2.3
383.10703	2.1
392.24884	1.7
399.13843	1.8
401.11978	12.7
413.15695	2.7
433.17599	3.1
451.17914	9.0
469.18320	21.8
487.19586	2.9
548.18909	1.9
609.39246	19.3
627.40149	72.5
628.40363	2.3
645.41223	100.0
646.42419	3.7
663.42224	61.4
681.43396	38.8
707.36920	8.0
725.37799	16.7
743.38776	15.6
761.39569	4.4
779.41565	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	779.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
55.05511	1.9
57.03436	1.9
61.02930	4.4
67.05499	3.7
69.03426	3.2
69.07065	2.6
70.84136	1.5
71.01364	0.8
71.04996	0.8
73.02911	3.5
78.13770	0.6
79.05497	3.8
81.03421	4.5
81.07078	4.1
83.04983	1.4
83.08643	1.0
85.02905	6.0
86.09719	1.7
89.94310	0.6
91.03957	3.1
91.05485	4.1
93.07047	3.3
95.04961	2.8
95.08610	2.2
97.02878	3.6
97.10216	0.6
99.04520	0.9
101.02380	1.4
105.07058	2.4
107.04938	1.1
107.08564	1.3
109.06535	0.7
109.10178	0.6
117.07063	0.9
119.08589	2.2
121.06499	0.8
121.10155	0.9
124.99976	1.1
127.03947	1.8
129.07028	1.2
131.08575	0.9
133.10112	1.4
147.11742	1.0
149.09436	0.6
149.13219	0.8
157.10153	1.2
175.11165	0.7
184.07368	5.5
185.07806	1.0
193.12312	1.3
196.46201	0.5
243.08531	2.1
251.12552	0.7
277.43658	0.5
318.76270	0.8
326.64371	0.7
333.20383	2.4
398.07373	0.5
469.20447	9.1
551.28394	4.6
779.41846	100.0
780.42023	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	776.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	44.6
57.03428	15.4
59.05022	4.8
67.05169	8.3
67.05505	100.0
69.03399	9.4
69.07056	18.4
71.59101	5.6
71.59441	6.1
79.05498	52.0
81.03425	11.0
81.07053	60.6
83.04978	8.0
83.08623	15.9
84.71159	5.0
84.82587	4.4
85.02902	14.2
87.04468	10.8
91.05482	28.5
93.07055	39.1
95.04980	9.1
95.08598	47.2
97.10180	23.7
99.00556	4.1
105.07032	12.3
107.07957	5.0
107.08553	26.1
109.06516	5.6
109.10156	59.0
117.07015	7.1
119.08583	21.1
121.10147	26.7
123.11755	6.0
125.09616	24.1
129.06979	4.7
131.08517	12.6
133.10144	7.1
135.11649	11.7
145.10133	8.2
147.11737	7.0
149.13260	7.1
158.29662	4.2
159.11797	5.8
163.14877	5.0
173.11739	14.3
173.13298	7.5
174.43314	5.5
199.13322	13.6
202.17737	4.2
227.12766	10.3
229.14366	34.0
242.85956	6.0
261.22229	10.1
301.16534	12.4
317.45627	4.6
335.25772	54.1
337.27362	6.5
462.79965	5.7
477.35690	12.9
489.35483	7.8
561.37933	9.5
564.18518	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	776.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	5.4
55.05510	46.4
57.03436	16.9
57.07072	3.5
59.04992	2.5
61.02922	2.9
62.55339	1.2
65.03939	3.4
66.57478	1.2
67.05503	100.0
69.03432	3.8
69.07068	19.4
71.01327	1.3
71.04982	4.2
71.08611	1.3
71.59045	1.4
72.60930	1.3
73.02914	2.2
79.05490	53.6
81.02985	1.1
81.03408	6.0
81.07053	65.9
83.04983	5.9
83.08617	16.0
85.02904	15.4
85.06533	3.1
87.04463	6.2
91.03985	1.6
91.05479	31.2
93.07042	45.6
95.04974	10.5
95.08604	43.5
97.02890	4.1
97.06536	6.3
97.10167	22.5
105.07030	17.5
107.04959	2.4
107.08593	32.1
109.06505	2.4
109.10153	51.1
110.74393	1.3
111.04416	1.5
111.08118	3.2
117.07006	7.0
119.08586	16.3
121.06500	1.9
121.10137	18.5
122.14765	1.2
123.08038	2.2
123.11708	6.0
125.09626	22.3
129.07001	2.1
131.08575	13.6
133.10127	9.8
135.08058	1.7
135.11699	11.3
137.09639	3.2
139.11198	3.3
143.08611	2.0
143.10669	3.3
145.10114	9.9
147.08089	1.1
147.11702	9.5
149.09610	2.3
149.13268	6.2
153.12793	2.3
155.08621	1.5
155.10706	2.1
157.10143	2.2
159.11674	6.7
161.13260	5.4
163.11217	5.6
163.14801	2.8
165.12842	1.5
167.90022	1.2
170.92572	1.2
171.11649	1.8
173.11742	14.8
173.13263	5.6
175.11237	1.5
175.14833	1.8
181.12265	2.7
183.11636	1.1
185.13326	1.8
187.13345	1.2
187.14807	2.8
189.11185	1.5
191.10585	1.6
193.12227	1.9
196.39937	1.2
199.13219	9.2
201.16423	1.4
209.11716	4.0
211.13271	1.3
227.12683	8.3
229.14337	36.2
243.21107	5.3
257.13931	1.7
261.22144	13.3
267.15955	4.8
277.21533	2.7
283.15497	2.8
301.16440	16.7
315.23291	1.9
317.24905	2.6
319.17334	1.9
327.23340	2.0
335.25784	75.4
336.26288	1.4
399.08975	1.5
459.34583	2.4
477.35748	13.1
489.35828	12.8
543.36523	3.6
545.62506	1.4
549.30615	1.3
561.37756	6.9
579.38855	5.0
746.15088	1.6
781.42517	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.7
55.05512	42.9
57.03438	18.4
57.07069	3.1
59.04992	3.3
59.35913	1.5
61.02911	4.0
64.17369	1.5
65.03939	5.0
67.05505	100.0
69.03433	5.0
69.07062	21.2
69.31205	14.8
71.04975	4.5
74.90006	1.3
79.05491	50.9
81.03425	6.2
81.07055	64.7
83.04982	4.3
83.08616	19.1
85.02905	17.8
85.06555	3.0
86.95970	1.4
87.04456	6.5
91.03951	2.3
91.05474	26.2
93.07037	43.3
95.04977	8.1
95.08609	43.7
97.02901	3.6
97.06528	3.0
97.10159	23.7
103.03884	1.7
105.07027	17.1
107.04980	1.9
107.08588	32.3
109.06509	3.4
109.10154	59.8
111.08101	4.6
117.07029	9.1
119.08572	20.9
121.10139	21.9
123.08042	1.6
123.11702	5.5
125.09628	23.7
125.10450	2.4
127.11202	1.3
129.07007	2.8
131.08571	11.4
133.10138	13.3
135.11682	14.4
137.09605	3.4
139.11150	2.2
143.08627	2.4
143.10677	5.7
145.10115	11.2
147.11664	8.5
149.09637	2.3
149.13327	8.2
153.12770	1.9
155.08537	2.3
155.10684	1.9
157.10173	2.1
159.11685	7.4
161.09540	1.4
161.13271	5.5
163.03992	1.7
163.11186	6.0
163.14862	2.4
171.11745	2.5
173.11745	15.5
173.13301	7.1
175.11143	1.8
175.14827	2.0
181.12094	1.7
187.14845	3.3
189.11288	1.6
191.10699	1.6
193.12236	3.1
199.13271	11.6
201.16313	1.8
209.11792	3.7
211.13396	1.8
217.14377	2.6
227.12816	6.4
229.14349	50.7
239.32840	1.3
241.19633	1.7
243.21175	4.9
245.13855	2.5
259.20508	2.2
261.22113	18.6
267.15936	5.1
272.85455	1.5
299.23654	1.9
301.16394	15.2
315.23224	1.7
317.24802	2.7
335.25790	90.5
336.26175	3.4
363.25604	1.6
450.98990	1.4
451.31934	2.3
466.21390	2.1
477.35495	9.6
489.35822	19.1
543.36835	2.9
561.37854	6.5
577.26648	1.6
614.47083	1.5
675.45868	1.6
690.35431	10.2
725.95978	1.6
776.41687	4.3
777.38379	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	44.0
57.03446	19.7
57.07076	6.0
58.36573	3.9
59.04999	4.1
61.86248	3.5
62.46630	3.5
65.03938	3.7
67.05509	100.0
69.03444	6.5
69.07079	19.0
71.04985	4.1
79.05502	49.9
81.03412	5.1
81.07063	64.8
83.04975	9.3
83.08625	15.9
85.02889	18.1
87.04469	5.7
91.04977	3.8
91.05474	25.1
93.07047	45.5
95.04981	11.4
95.08605	43.4
97.02885	5.1
97.10170	15.1
105.07051	23.0
107.04926	5.8
107.08614	23.1
109.10165	48.9
117.07044	11.8
119.08594	17.0
121.10196	20.7
123.11683	4.1
125.09649	17.2
131.08582	9.5
133.10129	10.9
135.11731	15.6
145.10162	10.2
147.11722	4.8
149.13232	5.1
159.11766	8.2
163.11244	5.1
173.11755	12.4
184.07381	7.7
199.13290	8.3
204.11771	3.4
227.12965	4.1
229.14360	37.5
241.22195	3.6
261.22171	12.8
274.25266	3.4
301.16513	13.3
335.25739	57.5
429.35034	3.9
477.35693	4.6
477.70911	4.5
489.35803	11.9
561.37683	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	775.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	2.4
57.03433	1.8
61.02923	4.3
67.05504	6.7
69.03420	2.6
69.07064	3.1
70.06091	1.6
70.06489	0.9
71.01379	0.6
71.05012	1.0
73.02916	2.4
79.05494	6.9
81.03429	2.5
81.07053	6.3
83.04974	1.3
83.08640	0.8
85.02908	3.6
91.03956	1.9
91.05470	5.8
93.07032	5.7
95.04987	2.1
95.08613	4.6
97.02909	2.5
97.06528	1.6
101.02393	2.0
105.07025	4.0
107.04966	0.9
107.08588	3.0
107.95575	0.5
109.06524	1.1
109.10151	1.5
117.07034	2.0
119.08599	2.5
121.06508	0.8
121.10146	1.4
123.20134	0.5
127.03931	1.0
129.07036	1.0
131.08569	1.2
133.10150	2.2
135.11736	1.1
137.09602	0.6
143.08597	0.6
145.10152	1.7
147.11702	2.2
159.11716	0.9
171.11723	1.3
196.12521	0.6
201.84769	0.6
211.13515	0.6
243.08435	1.6
269.17386	1.3
350.24100	0.7
432.15649	0.6
439.19354	0.9
465.20975	7.9
544.37134	1.4
551.28259	5.3
775.42352	100.0
776.42871	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	776.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.8
55.05508	42.2
57.03432	18.0
57.07070	2.7
59.04996	4.4
61.02921	4.4
65.03940	3.3
67.05502	100.0
69.03419	4.1
69.07063	17.3
69.82529	5.0
71.01327	1.5
71.05007	5.3
73.02935	1.6
79.05492	51.1
81.03403	7.7
81.07053	65.1
83.04977	6.1
83.08614	17.9
85.02901	13.3
85.06544	3.6
87.04465	6.1
91.03936	1.2
91.05481	26.7
93.07035	42.2
95.04973	6.3
95.08601	46.1
97.02884	4.2
97.06533	4.6
97.10167	22.1
98.20847	2.0
101.02421	1.3
103.03961	1.4
105.07032	17.7
106.34458	1.1
107.04975	3.2
107.08591	26.2
109.06529	2.8
109.10149	49.9
111.04410	1.7
111.08067	3.1
117.07014	7.4
119.08584	16.0
121.10142	22.0
123.08056	2.2
123.11721	4.7
125.09624	21.2
129.06975	3.5
131.08572	11.6
133.10120	10.3
135.11684	13.2
137.09615	3.6
137.13252	1.3
139.11162	2.2
143.08582	2.5
143.10658	5.6
145.10107	12.6
147.11688	4.7
149.09598	3.9
149.13242	7.2
153.12766	1.8
155.08524	1.3
155.10683	2.8
157.10132	2.6
159.11661	5.8
161.13284	5.2
163.11147	6.3
163.14845	4.0
165.12807	1.4
171.11688	2.0
173.09590	1.5
173.10335	1.4
173.11745	13.4
173.13275	6.4
175.11229	1.1
175.14864	2.1
184.07346	1.7
185.13213	1.1
187.14828	3.2
189.11253	1.5
191.10760	1.3
193.12210	2.2
199.13243	11.5
199.14676	1.1
201.16422	1.5
203.12769	2.0
209.11696	3.0
213.16441	1.5
217.14346	2.8
227.12778	6.8
229.14336	34.3
243.21156	4.5
257.13895	1.2
259.20499	2.0
261.22122	14.7
267.15912	4.9
271.20712	1.8
299.14780	1.6
301.16461	19.3
315.23090	1.2
317.24771	2.2
319.17685	1.4
333.24466	1.2
335.25790	78.6
336.26044	2.5
351.25342	1.0
363.25134	2.0
450.98798	1.0
451.31802	1.2
459.34726	1.2
477.35617	10.3
489.35782	16.2
542.05823	1.3
543.36584	3.4
561.37769	7.5
579.38635	3.0
612.33466	1.2
614.46704	1.4
776.40289	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.6
55.05510	4.4
57.03431	2.7
60.78381	0.5
61.02927	5.5
62.90356	0.5
65.03956	0.7
67.05501	11.6
68.05845	0.7
69.03421	4.4
69.07063	4.4
70.06586	1.5
70.07001	1.4
71.01337	1.2
71.05003	1.1
73.02908	4.2
79.05053	1.0
79.05489	9.3
79.05907	0.8
80.05850	0.8
81.03395	4.0
81.07047	10.5
82.07391	0.8
82.91782	0.5
83.04993	2.4
83.08637	1.9
85.02900	5.1
85.06526	1.1
91.03958	2.4
91.05469	8.7
93.07041	9.8
94.07411	0.9
95.04949	3.2
95.08601	3.6
96.08923	0.9
97.02885	4.7
97.06538	1.9
97.10187	1.1
99.04465	1.1
99.08133	0.8
101.02399	2.2
105.07040	6.2
106.07358	0.7
107.04956	1.0
107.08574	4.0
109.02905	1.1
109.06524	1.3
109.10168	1.7
111.08075	1.1
116.43444	0.6
117.07042	2.4
119.08583	3.5
120.08901	0.7
121.06604	0.9
121.10154	1.4
123.11704	0.5
127.03944	1.4
128.26971	0.5
129.07024	2.1
131.08591	1.8
133.10138	2.6
135.11697	1.8
137.09615	0.7
139.15991	0.5
143.08554	0.9
145.10152	1.1
147.11682	2.7
149.13216	0.8
150.13588	0.8
159.11668	0.9
161.13269	0.8
163.11227	0.9
166.25415	0.5
170.69237	0.6
171.11722	1.5
184.07365	0.6
195.13846	0.9
196.14175	0.5
211.13290	0.6
243.08347	3.5
247.13118	1.5
255.13170	0.5
269.17651	2.1
270.17935	0.9
275.20129	1.0
303.15842	0.9
333.20477	1.7
349.23950	0.8
383.17505	0.7
453.20987	0.9
465.20950	14.5
466.21036	0.7
505.10403	0.7
544.37384	1.1
551.28485	4.5
677.34808	0.8
775.42297	100.0
776.42706	5.3
778.33142	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.0
55.05516	3.9
57.03443	3.5
61.02932	5.3
67.05507	10.4
68.05844	0.8
69.03430	2.9
69.07065	3.4
69.32944	4.2
69.33347	1.9
71.05003	1.5
73.02918	3.7
73.40086	0.6
77.40533	0.6
79.05500	9.3
80.13851	0.6
81.03403	4.5
81.07064	8.6
83.04996	3.1
83.08623	2.7
85.02902	4.8
85.06557	1.0
91.03956	2.7
91.05488	8.6
92.05822	0.8
93.07055	7.7
95.04957	3.7
95.08609	5.6
96.08939	0.8
97.02901	4.1
97.06532	2.1
97.10126	1.1
99.02039	0.6
99.04446	1.3
101.02389	1.9
103.04008	0.6
105.07044	5.7
107.04941	1.1
107.08594	4.5
109.10188	2.2
111.82990	0.6
117.07029	2.0
119.08592	5.4
120.08877	0.7
121.06540	0.8
121.10170	2.3
123.08105	0.8
125.09628	1.0
127.03899	1.4
129.07014	2.4
131.08617	1.2
132.08966	0.8
133.10153	3.1
134.10506	1.0
135.07950	0.7
135.11682	1.5
137.09654	0.7
143.08624	0.6
145.10204	1.3
147.11722	3.4
148.12039	0.6
149.09669	0.8
149.13283	0.8
157.10234	1.0
159.11705	1.0
163.11346	0.8
171.11696	1.6
175.11256	0.7
184.07339	1.0
193.03204	0.6
193.12276	1.1
195.13940	0.7
209.13132	0.6
211.13322	1.3
212.13715	1.5
243.08511	2.5
249.11180	0.7
269.17493	1.1
276.20566	0.7
283.15540	0.7
285.17160	0.7
325.15228	0.7
333.20557	1.8
334.24619	1.0
452.73114	0.7
465.20923	11.1
465.26727	0.9
544.37329	0.9
551.28247	4.6
595.55402	0.7
711.24451	0.7
775.42303	100.0
776.42926	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	775.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.0
56.96561	29.4
67.05496	3.0
70.72208	9.0
81.07069	3.1
86.91077	2.9
94.05793	3.7
98.97571	50.1
110.97579	8.5
112.99135	7.6
116.98614	44.0
128.98645	20.4
131.00166	31.0
134.99640	29.6
140.98587	4.1
143.00142	10.7
146.99661	23.8
149.01221	51.6
153.00746	4.6
158.01257	3.9
158.99666	23.8
161.01244	18.0
165.00720	5.3
167.02289	19.9
170.99655	27.4
172.02843	7.0
173.01181	9.2
177.00697	41.7
179.02271	4.3
182.99640	3.6
185.01198	4.3
189.00719	47.8
191.02264	12.1
195.01743	3.3
199.02843	5.4
200.02199	2.9
201.00673	7.7
203.02277	11.6
207.01794	4.5
212.02321	7.0
213.00713	7.0
215.02281	4.4
217.03824	4.6
219.01787	19.8
227.02205	3.7
231.01895	3.8
233.03294	3.2
237.02837	13.3
261.02774	17.0
275.04346	8.9
279.03857	25.7
291.03903	8.0
293.05420	39.4
294.06183	3.5
297.04962	8.4
302.05533	5.4
309.04861	6.3
311.06506	20.5
317.18027	21.5
321.04947	100.0
334.07941	3.4
335.18964	9.4
339.05951	10.9
362.07632	6.6
381.07150	7.3
408.56396	3.0
437.09576	19.3
455.04321	4.1
455.10715	59.7
539.24927	4.9
553.26794	14.7
671.09369	3.8
703.28497	3.1
715.31879	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	775.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.9
65.03946	4.9
67.05498	1.2
69.03417	4.9
70.76073	2.9
76.79259	1.0
78.04704	2.3
78.18984	0.9
81.03410	2.2
82.04218	1.2
85.02898	8.6
89.81892	0.8
91.05483	5.3
95.04960	2.9
97.02892	3.5
97.06544	1.4
103.05460	4.6
106.04173	1.4
107.04947	2.6
109.02898	1.4
110.03642	2.7
111.04446	1.4
115.05448	6.2
117.07029	8.3
117.74767	1.0
119.04942	5.0
122.03593	2.2
123.04412	7.1
124.05199	3.4
125.06001	2.7
127.05486	1.1
131.04926	4.9
132.05678	1.1
133.02844	2.2
135.04398	5.7
137.05984	14.8
145.06503	12.6
147.04404	6.5
151.03912	2.7
151.07590	1.5
152.04698	1.9
153.05415	1.1
155.06023	3.2
160.05270	1.2
161.05975	2.0
163.07567	3.7
165.05515	1.2
167.07039	100.0
168.07416	1.5
171.06534	3.7
173.05977	17.5
175.07509	2.4
179.07031	3.7
181.04958	61.2
189.05347	1.0
191.07042	2.9
201.05334	1.0
203.07019	2.7
205.08580	5.7
221.08040	1.5
222.06769	1.1
231.06465	1.6
233.08038	7.2
234.06546	1.0
235.09630	5.8
247.07623	1.2
249.05562	1.1
265.08493	1.2
278.05792	1.4
287.05576	3.4
293.08148	1.4
297.11160	1.9
310.08325	2.4
313.30292	1.0
325.10739	2.6
342.11438	1.1
353.10394	1.2
357.13324	9.6
385.12784	33.1
387.14410	20.0
403.14017	9.0
415.13623	5.5
417.10062	2.1
417.15427	31.1
418.16083	1.4
533.07697	1.2
565.20532	2.1
577.19470	1.7
595.21222	2.8
613.22931	1.5
775.28143	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	775.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.0
56.58429	0.8
57.03433	1.5
61.02940	1.6
65.03944	5.2
67.05485	2.4
69.03430	6.8
70.06593	1.0
70.62315	2.1
70.62660	1.6
73.02914	1.4
78.04703	4.0
78.55311	0.8
79.05489	3.0
81.03415	3.8
82.04189	1.3
85.02905	12.4
91.05483	7.2
93.03387	0.8
93.07018	1.1
94.04144	0.9
95.04953	1.9
97.02885	3.6
97.06522	1.4
103.05475	7.9
105.07032	1.5
106.04151	1.6
107.04948	5.7
108.02116	1.4
109.02828	1.8
110.03660	2.6
111.04432	2.6
115.05447	7.5
117.07000	10.5
119.04951	6.3
119.08591	1.0
121.06538	1.1
122.03608	1.1
123.04436	10.3
124.05284	3.8
125.05982	2.4
127.03918	1.4
127.05439	1.2
131.04922	13.0
133.02829	1.9
133.06470	2.1
135.04396	0.8
136.04005	0.8
137.05971	16.8
138.03107	1.9
139.03891	2.2
142.02629	2.3
143.04965	1.4
144.05763	1.7
145.06487	15.3
147.04422	9.1
147.08110	1.8
148.05281	0.9
149.05992	1.7
151.03857	3.6
151.07509	1.8
152.04683	2.2
153.01785	2.5
153.05447	2.0
155.06026	2.3
157.06451	1.1
160.05171	1.6
161.05922	2.9
161.74724	1.0
163.03909	1.5
163.07542	11.4
165.05473	2.3
167.07042	100.0
168.07506	1.2
171.06531	5.8
173.05989	21.2
174.06636	1.2
175.07530	2.6
177.05542	1.8
177.08955	0.8
179.07019	3.3
179.08507	1.3
181.04958	82.8
182.05348	1.2
182.09091	0.8
185.37920	0.8
188.04649	1.1
189.05504	1.2
189.09077	0.9
190.06104	0.8
191.07033	2.7
193.08626	1.4
195.06560	1.1
201.05478	1.6
203.07065	5.2
205.06697	1.3
205.08594	7.8
207.06494	1.3
207.08209	0.9
207.10068	0.9
213.05508	1.2
218.05699	1.7
219.06503	2.0
221.08047	2.6
223.07613	1.1
231.06552	1.8
233.08066	11.7
235.07535	1.4
235.09615	9.9
239.06738	1.0
248.08226	0.9
249.05325	0.9
251.06892	1.7
263.06964	1.3
265.08627	1.3
266.09332	0.9
282.08902	1.6
283.09570	1.3
287.05554	1.8
293.07996	2.0
297.11212	2.1
299.08737	1.3
303.04977	0.9
310.08395	3.1
311.08963	1.0
323.09122	1.2
325.10748	2.7
329.13858	1.4
331.70172	0.9
353.10358	1.8
355.11719	1.2
357.13229	11.5
385.12830	40.5
386.13303	1.5
387.14346	12.6
397.12802	1.9
399.14447	2.0
403.13934	9.0
409.05582	3.6
412.33487	0.9
415.13928	8.9
417.15457	24.6
477.08542	1.1
495.09390	1.2
565.20038	2.0
577.19574	3.5
595.21198	3.5
613.22473	2.0
775.28058	25.1
776.27649	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.5932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	9.6
57.07077	28.3
66.43989	4.2
69.07079	6.3
69.49339	19.7
69.49765	23.4
71.08619	27.9
71.88924	4.3
73.06567	11.3
74.40196	4.8
79.05479	8.5
81.07038	5.4
83.66755	5.0
85.10179	19.2
87.04464	11.7
89.06023	100.0
90.46651	5.0
91.05482	7.0
95.08617	8.1
97.10177	4.8
107.08559	7.1
111.80400	4.3
121.10174	5.0
131.07059	7.0
133.08607	59.5
166.47855	4.7
177.11237	19.0
202.13580	5.7
208.28984	5.9
221.13664	8.4
352.28568	5.1
361.83609	5.1
454.22198	4.9
476.09686	5.1
544.79425	5.4
641.36670	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	775.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
67.21400	0.3
71.57762	0.5
96.71164	0.3
98.97574	0.4
116.94106	0.3
116.98595	0.4
125.07067	0.4
131.01924	0.7
134.99617	0.5
143.93678	0.3
152.03166	0.3
155.01859	0.5
165.05121	1.1
173.02946	0.6
183.06158	7.3
187.05673	0.4
189.05078	0.9
193.04655	1.1
195.06160	2.5
197.02843	0.4
199.05597	0.8
201.05368	0.6
201.07188	4.1
206.05447	0.5
207.06151	19.4
208.06326	0.5
211.05623	9.2
212.05922	0.4
213.07216	10.8
219.06140	5.7
221.05132	0.4
221.07712	1.2
225.07199	35.1
226.07367	1.3
227.03511	0.4
233.07660	0.7
234.07362	0.4
237.07201	13.8
239.08746	1.2
242.49847	0.3
243.08336	2.5
245.05086	2.5
248.08856	0.6
251.08890	0.5
255.08261	54.4
256.08368	2.0
260.08679	0.4
261.07230	1.0
263.06009	0.4
267.08374	0.4
273.09399	2.7
278.09839	2.2
279.08203	0.9
291.08395	0.4
293.07242	0.4
297.09320	1.1
309.09271	9.9
314.79553	0.4
333.09241	1.6
379.63281	0.4
381.11328	0.6
399.12497	100.0
400.12732	3.9
415.10278	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.1
55.05512	19.0
57.03439	15.5
61.70405	1.9
65.03932	3.9
67.05502	81.3
69.03432	3.3
69.06786	1.8
69.07072	17.7
69.25251	25.8
71.04993	4.8
79.05064	4.0
79.05490	53.6
81.03417	98.7
81.07057	73.3
83.04970	7.2
83.08618	25.9
85.06532	3.1
87.59203	2.2
91.04967	3.8
91.05482	44.5
93.07043	53.2
95.04967	39.9
95.08607	52.7
97.02921	2.3
97.06521	6.6
97.10162	7.3
98.21533	4.7
105.07030	30.8
107.04944	8.5
107.08604	27.9
109.06519	6.0
109.10161	26.0
111.04389	2.9
111.08073	9.9
117.07003	14.1
119.08589	29.8
121.06519	4.3
121.10139	27.4
123.08050	2.6
123.11698	9.4
125.09620	5.8
129.06998	13.9
131.08546	23.5
133.06522	3.3
133.10146	17.8
135.08026	2.5
135.11710	16.0
136.20311	2.0
137.09630	3.0
137.13254	4.9
143.08559	3.7
145.10110	13.0
147.08049	2.8
147.11671	11.3
149.09605	6.6
149.13263	9.7
157.10139	12.8
159.11644	7.7
161.13254	6.7
163.11136	3.0
163.14825	4.6
165.12733	3.1
171.11673	3.3
173.13251	8.0
175.11169	10.8
187.14865	4.1
189.11182	3.5
193.12259	30.2
201.16406	2.8
211.13274	2.4
227.12869	6.2
243.21141	8.5
249.14977	3.1
260.99414	2.5
261.22192	22.7
267.15930	98.9
279.23373	3.5
299.23526	2.9
301.25223	7.7
309.16995	2.6
317.24619	5.1
335.25778	100.0
336.26443	2.2
352.90384	2.4
410.05008	2.2
435.32553	6.0
441.07483	2.4
453.33636	11.7
471.34494	6.1
527.37390	67.4
545.38434	43.0
559.40796	2.8
562.45618	2.6
704.24298	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	6.2
55.05508	26.5
57.03440	12.9
57.07065	3.7
61.02926	8.1
67.05170	6.4
67.05504	88.9
69.03417	9.5
69.07063	21.5
71.04997	36.1
71.58974	4.6
73.02912	4.7
74.56842	4.3
79.05064	6.0
79.05490	57.4
81.03426	15.3
81.07059	100.0
82.06549	3.7
83.04986	8.1
83.08615	18.8
85.02904	5.4
85.06528	5.9
91.05480	66.0
93.07040	60.1
93.07568	6.7
95.04967	14.1
95.08591	39.8
97.02911	4.6
97.06518	11.5
97.10165	5.3
105.07030	63.1
107.08591	35.8
109.06516	7.1
109.10164	22.1
111.08015	3.6
117.07011	23.9
119.08578	42.1
121.06483	3.8
121.10113	20.8
123.11715	14.0
125.09641	10.7
127.03910	4.6
129.06984	8.1
131.08562	33.7
133.10132	44.7
135.11693	19.1
139.11218	4.6
143.08562	13.7
145.10135	21.1
147.11711	21.4
149.13234	9.2
151.11201	7.8
157.10135	12.2
159.11673	21.7
161.13312	13.8
169.10049	6.0
171.11676	12.3
173.13284	9.0
175.14740	3.8
177.12718	3.4
179.77293	3.5
183.13792	4.5
185.13242	10.4
193.12198	4.2
197.13283	7.0
199.14949	6.7
241.19632	7.8
243.15982	7.8
259.20667	30.4
259.71576	3.6
261.22171	5.2
267.15845	8.2
269.17480	9.2
301.20059	23.7
315.23227	9.5
328.49988	3.7
333.24179	34.7
335.25845	11.6
409.30859	8.3
466.21005	6.0
483.34891	6.5
501.28653	5.9
501.35699	76.1
527.37268	57.7
533.38513	4.9
545.38086	5.1
559.40265	20.9
628.37360	5.4
774.41034	53.9
775.40387	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	774.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	9.2
55.05510	34.1
57.03430	24.8
57.07075	3.4
61.02918	7.8
61.55143	1.8
65.03940	8.9
67.05501	77.9
69.03426	10.2
69.07067	31.4
70.30563	8.2
71.04984	9.5
72.46433	1.7
73.02913	3.0
79.05490	77.8
81.03415	68.0
81.07051	89.5
83.04975	23.6
83.08617	35.7
85.02897	29.3
85.06535	4.8
87.03492	2.0
91.03962	3.4
91.05475	100.0
93.07043	65.6
94.59585	2.2
95.04969	45.6
95.08606	45.1
97.02892	12.6
97.06526	16.9
97.10136	9.1
98.09689	2.0
99.04452	3.5
99.08077	6.4
103.05452	2.5
105.07025	76.3
107.04948	14.8
107.08583	35.9
109.02864	2.8
109.06535	10.3
109.10153	18.8
111.04464	6.4
111.08074	15.8
113.06007	4.9
115.05456	4.8
117.07019	22.3
118.98756	2.0
119.08575	58.6
121.06509	7.0
121.10146	25.5
123.08073	9.2
123.11668	2.2
125.09640	5.6
127.03914	2.8
127.07610	2.6
128.06265	3.9
129.05487	6.8
129.06999	22.6
131.08560	35.9
133.06502	4.2
133.10126	49.2
135.08052	4.8
135.11700	13.2
137.09593	6.8
140.02454	2.1
141.06982	3.1
142.07787	6.5
143.08574	11.1
145.10132	20.8
147.08022	4.1
147.11679	43.6
149.09576	11.8
149.13246	12.3
151.11166	2.7
157.10130	21.3
159.11688	19.8
161.13229	15.4
163.11176	10.3
165.12799	5.3
167.08524	2.3
169.10126	5.3
171.11705	9.5
173.13268	6.1
175.11162	19.6
175.14742	9.4
177.12755	5.5
183.11676	2.9
184.07436	2.6
185.13283	6.1
193.12254	57.3
195.13773	5.9
197.13321	2.7
199.14798	4.8
201.12593	2.2
201.16232	2.3
211.13275	62.6
220.12096	2.4
229.19489	2.3
231.21118	4.5
239.18016	2.3
241.19576	15.7
257.18936	5.7
259.20544	32.2
267.15909	23.7
269.17413	13.6
273.18781	2.0
275.17410	2.5
275.20108	16.7
285.16910	48.2
293.21121	6.9
301.16495	3.9
315.23090	3.7
333.24258	25.5
349.23679	5.6
399.56171	1.9
433.30957	3.3
451.32239	3.5
461.28970	6.3
469.32800	2.4
479.30020	18.9
525.35901	8.4
541.35339	2.3
543.36786	20.5
544.37085	3.3
559.36169	4.9
577.36816	5.6
775.41516	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	774.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	7.0
55.05264	2.8
55.05511	34.3
57.03440	23.6
57.07076	2.8
61.02922	5.0
65.03936	4.2
67.05503	76.0
69.03436	12.8
69.07072	28.5
69.25630	20.4
71.01331	2.4
71.04996	9.3
72.62991	1.9
73.02904	1.8
79.05490	66.4
81.02925	2.2
81.03416	83.1
81.07056	93.1
83.04992	25.6
83.08617	30.0
85.02903	34.9
85.06528	3.5
91.05478	75.8
93.07041	65.4
95.04971	33.3
95.08598	33.1
97.02901	7.0
97.06543	17.0
97.10144	8.3
98.21496	4.5
99.08055	2.7
99.67859	1.8
105.04515	2.3
105.07028	53.0
107.04964	14.0
107.08595	36.4
108.24380	1.8
109.02852	1.9
109.06544	9.0
109.10130	12.9
111.04456	3.8
111.08083	16.3
113.06023	4.5
113.09624	1.9
115.05456	4.2
117.07027	17.5
119.08578	40.0
121.06499	5.7
121.10143	21.7
121.60471	1.8
123.08078	5.4
123.11698	6.7
125.09634	5.6
127.03913	2.5
129.06990	14.9
131.08565	29.0
133.06505	4.4
133.10126	30.9
135.08002	4.2
135.11691	15.7
137.09641	4.8
142.07750	5.6
143.08557	3.9
145.10135	15.1
147.08044	5.0
147.11690	28.8
149.09627	17.6
149.13248	12.6
155.08563	4.0
157.10123	20.4
158.66434	1.9
159.11644	12.2
161.09633	2.9
161.13193	3.4
163.11179	7.1
165.12735	5.1
171.11681	3.9
173.04347	1.8
173.13228	4.4
175.11201	18.4
177.12772	5.3
179.14415	2.1
181.12250	3.3
183.39377	1.6
193.12247	47.7
195.13773	5.9
211.13289	83.4
213.14841	1.9
227.12856	4.9
239.17953	2.9
247.20741	1.8
251.06992	1.8
255.15875	11.9
257.18985	8.5
267.15924	30.9
269.17474	38.8
275.20035	25.2
285.16977	66.6
286.17310	2.3
293.20999	1.9
349.23639	17.2
367.24863	3.7
369.24741	2.3
402.49295	1.9
413.21524	2.3
443.27786	2.5
447.27393	10.9
452.74118	2.0
455.26340	2.1
460.44522	2.0
461.28983	33.5
462.29404	3.2
465.28421	20.2
479.30032	100.0
480.30475	4.8
541.35236	7.3
559.36401	19.7
577.37213	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	774.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	9.4
55.05509	34.3
57.03440	19.5
61.02916	4.7
65.03941	2.8
67.05504	67.5
69.03418	11.4
69.07070	35.9
70.55165	10.9
71.04985	8.8
75.58633	2.3
79.05493	70.1
80.55664	2.4
81.03419	77.2
81.07057	71.2
83.04980	20.8
83.08615	39.0
85.02898	31.7
85.06532	6.2
91.05480	72.1
93.07047	55.9
95.04964	33.6
95.08599	30.3
97.02876	9.1
97.06546	19.5
97.10184	14.8
103.05374	2.4
105.07028	57.4
107.04943	21.2
107.08591	36.2
109.06519	10.3
109.10118	11.0
111.08076	15.1
113.06004	3.9
115.05450	3.1
117.07053	14.2
118.97945	3.1
119.08579	42.8
121.06505	6.7
121.10144	22.6
123.08078	4.6
123.11723	4.9
125.09637	9.0
127.03900	3.4
129.06990	18.3
131.08574	26.5
133.06421	3.2
133.10126	25.4
135.08044	3.4
135.11679	10.0
137.09633	3.8
143.08543	6.7
145.10121	15.3
147.08090	4.0
147.11699	23.8
149.09586	22.5
149.13263	10.5
151.11217	4.2
155.08604	3.3
157.10127	20.1
159.11700	10.4
163.11143	11.2
165.12764	5.3
169.10074	3.9
171.11665	3.6
172.02364	3.5
173.13309	3.9
175.11183	18.4
179.14343	2.9
183.11804	3.1
185.13255	2.7
189.11218	6.4
193.12247	56.4
195.13832	5.5
211.13289	100.0
227.12886	13.7
239.17917	4.1
255.15956	6.3
257.19000	10.1
267.15936	44.8
269.17413	19.4
275.20059	40.2
285.16977	78.0
293.21127	4.4
331.22934	5.8
349.23706	32.8
447.27365	8.1
455.26102	5.5
461.28970	21.0
465.28516	16.3
479.30078	67.8
506.05576	3.0
541.35541	15.0
559.36316	31.2
577.37128	5.9
623.34729	4.7
747.98224	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	774.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	14.4
55.05266	3.6
55.05510	47.9
57.03441	17.6
59.04988	2.0
61.02921	5.2
65.03942	4.8
67.05505	69.8
69.03435	12.4
69.06715	3.0
69.07072	38.5
71.04971	7.9
73.02914	2.4
74.89380	2.0
79.05494	71.5
81.03417	70.1
81.07059	58.0
83.04982	25.3
83.08617	41.2
84.53398	2.0
85.02904	26.8
85.06528	5.9
91.03937	2.5
91.05482	68.3
93.06480	2.8
93.07050	46.1
95.04971	35.5
95.08602	25.1
97.02887	8.7
97.06531	20.4
97.10173	43.6
98.20703	3.8
99.04418	3.1
100.28648	2.0
105.07034	57.1
107.04948	18.6
107.08588	67.5
109.02914	2.3
109.06488	8.1
109.10152	15.4
111.04419	2.8
111.08103	14.2
111.32580	1.8
113.06011	3.4
115.05459	3.9
117.07026	13.3
119.04900	2.3
119.08578	38.4
121.06487	7.0
121.10145	17.3
123.08076	6.5
123.11666	2.8
125.06090	1.9
125.08759	2.9
125.09635	35.6
127.03902	2.9
129.07013	14.5
131.08566	26.3
133.06496	3.9
133.10135	30.8
135.08037	6.6
135.11694	6.7
137.09601	3.8
141.06885	2.1
142.07797	3.8
143.08545	4.2
143.10619	2.4
145.10118	23.7
147.08035	5.4
147.11693	33.2
149.09613	31.4
151.11090	2.1
153.09138	2.2
155.08455	2.7
157.10120	19.7
159.11667	10.9
161.09630	1.8
161.13220	3.8
163.11197	10.6
165.12776	3.2
169.10193	3.0
171.10237	3.4
171.11685	5.7
173.13252	6.7
175.11169	18.4
179.14314	4.7
183.11668	2.0
184.07278	2.6
185.13239	2.4
187.11108	2.2
189.11227	25.6
193.12239	49.4
195.13913	2.7
197.13245	3.7
197.38713	1.9
205.12370	2.4
211.13287	75.1
227.10506	3.7
227.12776	77.6
229.19560	3.5
229.82814	3.3
239.17986	4.0
247.20520	3.5
247.36168	1.8
257.18997	11.0
267.09570	2.0
267.15900	29.6
269.17426	3.6
275.20065	69.2
285.16971	67.0
293.21066	7.0
331.22592	4.3
349.23758	68.1
381.22702	3.0
437.25284	6.4
455.26355	9.7
461.28967	2.7
463.30386	2.6
467.31421	3.5
479.29831	3.4
523.34680	2.4
541.35229	42.3
559.36310	100.0
560.36139	5.4
577.37219	8.1
599.30548	3.7
740.52460	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	13.4
55.05512	34.6
55.63932	4.7
57.03432	25.5
57.07067	4.7
58.65167	4.7
61.02932	7.4
65.03939	8.8
67.05168	8.3
67.05505	98.2
69.03432	10.8
69.07064	30.8
70.20878	13.6
71.01360	4.9
71.04995	11.6
73.02931	5.7
79.05496	87.8
81.03425	56.0
81.07063	85.6
83.04991	31.1
83.08622	27.3
85.02892	22.3
86.09710	4.7
91.05482	100.0
93.07040	79.8
94.07400	4.4
95.04971	38.3
95.08601	43.3
97.02908	13.0
97.06529	12.4
97.10180	17.2
105.07038	84.9
107.04967	8.6
107.08590	50.3
109.06524	13.4
109.10136	23.4
111.08086	16.4
115.05518	7.7
116.04713	6.1
117.06992	23.2
119.08584	69.2
121.06522	8.5
121.10144	29.5
123.08061	14.0
125.09620	9.8
128.06175	4.4
129.05473	18.2
129.07021	15.0
131.08577	40.2
133.10146	48.0
135.08012	7.2
135.11632	22.8
137.09628	7.2
141.06987	6.4
142.07715	4.3
143.08583	12.1
145.10152	29.1
147.11687	47.2
149.09619	14.1
149.13274	16.3
155.08519	7.8
157.08850	4.3
157.10141	25.0
159.11681	19.9
161.13260	16.9
163.11217	14.1
171.11710	13.7
173.13249	8.9
175.11194	15.3
177.12827	5.1
184.07397	5.9
185.13152	9.4
189.11340	6.4
193.12253	35.6
211.13258	32.3
227.12737	9.4
230.60324	4.9
241.19579	17.8
257.19241	6.4
259.20624	48.8
267.15952	16.7
269.17462	7.9
275.20081	18.3
285.17001	32.7
293.20908	6.1
301.16364	32.8
315.22852	5.6
333.24307	27.2
349.23761	12.3
464.54843	4.6
479.30185	10.1
507.67905	4.5
513.36353	4.8
525.36035	6.1
541.35077	6.6
543.36725	10.6
559.35870	10.7
577.37091	9.0
775.38818	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	774.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	7.6
55.05510	26.2
56.96534	5.8
57.03436	14.5
59.95693	2.6
62.36432	2.3
63.23589	2.5
65.03938	5.6
67.05502	65.6
69.03426	9.0
69.07066	26.8
70.65186	8.0
71.04977	8.4
79.05062	4.2
79.05492	62.5
81.03420	22.4
81.06581	5.3
81.07052	100.0
83.04985	16.6
83.08606	17.3
85.02890	10.5
85.06524	6.6
89.62062	2.5
91.05476	53.9
91.33962	2.5
92.05782	4.5
93.07034	50.7
95.04955	20.3
95.08600	35.0
96.05306	3.7
97.02868	4.7
97.06505	13.9
97.10162	9.4
98.97562	13.3
99.04459	2.3
99.08073	4.9
105.07026	61.7
106.07406	4.5
107.04971	7.1
107.08588	36.5
108.19654	2.5
109.06509	9.0
109.10161	16.7
111.04458	2.2
111.08051	6.0
113.09633	2.5
116.68213	2.2
116.98605	11.6
117.07014	13.0
119.08575	40.9
121.06522	4.5
121.10137	33.9
121.73093	2.4
123.08076	7.9
123.11691	21.1
125.09646	2.9
127.03912	4.0
127.07585	4.3
128.98596	6.0
129.07002	8.9
131.00153	8.6
131.08556	22.3
133.10120	26.5
134.99660	6.9
135.08069	3.8
135.11697	8.7
143.08487	5.5
145.10124	15.0
146.99626	5.1
147.11678	56.8
149.01213	10.7
149.09579	16.6
149.13249	8.7
151.11092	4.6
155.08498	3.4
157.10156	7.5
158.99689	6.4
159.11649	10.0
161.09575	3.1
161.13252	5.3
163.11183	9.1
165.12740	17.2
167.02219	5.5
169.10115	4.8
170.99675	7.0
171.11746	3.9
173.01210	3.0
173.13258	4.9
175.11252	4.7
177.00659	11.0
179.14275	3.1
184.07372	6.3
185.13286	3.3
189.00684	13.6
189.11113	3.7
191.02257	3.9
193.12228	10.4
194.12575	4.1
195.13828	4.5
196.07277	4.9
203.02165	3.0
211.13306	8.4
219.01721	3.7
227.12691	6.0
229.14281	5.1
237.02733	5.3
241.19751	2.5
245.30013	2.8
250.63689	2.6
253.14433	5.4
254.14787	3.4
255.15894	6.0
257.19019	4.6
259.20526	4.7
261.02737	5.8
262.13620	2.4
267.15915	50.1
269.17471	21.0
275.20081	22.3
279.03992	6.2
283.15405	3.1
285.16916	40.4
286.17142	3.3
291.19681	7.4
293.05447	10.1
293.20947	5.5
301.16409	6.5
311.06519	4.7
317.17783	6.9
321.04962	35.4
333.24146	6.6
335.18805	4.2
339.06076	4.3
345.64734	2.3
347.22916	2.6
349.23627	22.5
367.24484	3.2
437.09677	5.9
455.10538	13.5
461.28815	2.9
465.28528	17.3
479.30038	49.4
539.25366	3.1
541.34827	12.8
559.36237	28.6
577.36835	6.8
665.65643	3.0
715.31940	12.7
774.41632	5.4
805.51440	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	773.5193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	11.7
57.03437	3.6
57.07061	4.0
61.02920	15.1
63.88253	3.5
67.05517	27.2
69.03424	5.1
69.07059	12.7
70.63679	10.8
73.02901	9.7
79.05500	12.8
81.03416	12.9
81.07064	28.6
83.08607	5.3
85.02911	12.9
89.06009	4.7
91.03961	4.4
91.05489	13.5
93.07029	16.9
95.08616	19.8
97.02867	16.9
97.10188	5.0
101.02359	3.8
105.07045	14.0
107.08591	11.8
109.10152	8.5
117.07025	9.6
119.08597	16.1
127.18316	3.1
129.06992	7.2
131.08562	13.5
133.10149	5.4
142.64201	3.3
143.08574	11.8
145.10143	12.7
155.08553	6.2
156.48573	3.3
157.10133	10.3
159.11690	5.6
167.08447	3.4
169.10110	6.6
171.11629	8.3
173.13326	4.4
183.11661	8.2
185.13231	6.2
197.13234	6.7
199.14767	5.0
201.16451	3.9
209.13391	3.5
212.55553	4.4
227.17978	4.1
237.16499	4.0
257.43057	3.3
519.41888	7.9
593.45294	5.1
602.55444	3.7
609.43414	4.9
611.46710	100.0
612.47205	6.8
773.51086	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	773.5187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.11024	10.6
67.05498	67.9
69.03436	13.8
69.07080	29.8
70.38107	46.5
78.50948	12.6
79.05501	39.6
81.07065	60.6
83.08603	13.0
91.05494	43.4
93.07040	64.9
95.04954	15.6
95.08591	41.8
95.14092	12.6
105.07037	48.7
107.08595	39.6
109.10169	25.5
117.07008	13.0
119.08584	36.1
121.10151	26.9
123.44184	12.7
129.07077	12.3
131.08574	18.5
133.10118	36.3
135.11710	16.6
143.08606	13.0
145.10159	19.4
147.11671	26.2
155.08781	12.0
159.11703	33.6
161.13263	18.0
173.13271	15.1
185.13336	15.9
241.19685	25.0
259.20636	29.9
267.32416	11.7
333.24402	21.8
335.25763	39.6
470.35403	11.4
611.46686	100.0
641.10437	12.5
773.52014	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	773.5193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	24.3
57.03438	16.1
61.02912	19.3
67.05508	80.4
67.66601	4.8
69.03429	12.0
69.07063	25.7
69.80255	41.7
73.02908	8.4
79.05498	42.8
81.07053	72.8
82.18216	6.5
83.04993	8.1
83.08616	13.7
85.02895	19.4
88.67991	5.3
91.03932	7.1
91.05477	54.3
91.20635	6.4
92.96772	5.8
93.07045	65.5
95.04962	10.1
95.08595	54.8
97.02870	14.7
97.10148	7.5
98.21430	8.7
105.07047	42.5
107.08572	33.1
109.10141	27.5
117.07001	25.2
119.08599	42.2
121.10172	37.3
129.07008	15.8
131.08548	35.2
133.10147	44.7
135.11729	15.9
143.08583	19.7
145.10121	31.9
147.11676	22.6
149.13260	10.6
151.08835	6.9
157.10097	15.8
159.11710	25.5
161.09746	6.7
161.13261	22.7
169.10168	7.4
171.11673	18.5
173.13289	16.9
175.14832	8.2
181.10193	6.0
183.11681	17.8
185.13277	12.8
187.14708	8.8
189.16260	8.1
196.18468	7.0
197.13251	11.8
211.14818	12.3
221.13222	6.2
241.19565	14.5
259.20648	30.1
285.22229	6.0
315.23212	6.5
333.24265	20.1
335.25812	33.8
339.26910	8.4
346.72269	5.8
593.45392	12.9
611.46667	100.0
719.48700	8.4
773.51520	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	773.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	5.7
57.03425	2.4
61.02928	3.9
61.60736	1.6
67.05508	10.5
69.03428	4.4
69.07062	3.8
73.02907	4.9
79.05505	10.1
81.03405	2.0
81.07049	10.3
83.04970	1.7
83.08610	2.9
85.02911	5.2
91.03966	2.4
91.05460	8.8
93.07046	9.7
95.04961	5.6
95.08620	6.4
97.02885	6.0
105.07050	7.7
107.04953	2.8
107.08596	5.3
109.10156	3.2
109.50859	1.8
117.07038	2.5
119.08617	2.7
121.10174	2.2
133.10127	4.0
135.11716	2.3
143.08548	2.3
147.11714	4.2
155.08504	1.8
170.52835	1.7
171.11673	1.5
243.08450	2.2
245.50281	1.8
247.13045	1.9
331.18912	1.9
346.95416	1.8
428.62601	1.7
465.21115	12.4
531.25476	3.8
549.26752	6.7
675.33472	4.5
755.39752	16.3
773.40668	100.0
774.41150	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	773.519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	28.2
57.03441	12.2
57.07071	6.4
61.02912	15.8
67.05505	72.8
69.03438	11.1
69.07059	24.5
69.25512	74.3
73.02903	8.9
79.05486	60.2
81.03426	9.7
81.07062	89.3
82.71862	6.7
83.08610	9.3
84.51947	6.2
85.02917	12.3
91.05492	48.5
93.07050	66.0
93.61582	8.6
95.04995	13.6
95.08604	69.3
97.02908	9.5
105.07028	49.1
107.08608	46.5
109.06489	8.8
109.10166	19.5
117.07013	24.4
119.08574	52.1
121.10167	33.1
129.07021	12.2
131.08568	29.0
133.10083	33.9
134.76910	6.0
135.11658	18.6
141.06966	7.6
143.08574	21.5
145.10081	31.6
147.11696	34.3
149.13298	7.5
155.08525	14.0
157.10103	14.9
159.11725	23.2
161.13255	20.3
169.10123	14.7
171.11670	19.0
173.13275	20.2
175.14781	15.3
185.13260	18.4
209.13091	9.6
241.19551	18.7
257.18906	7.0
259.20514	32.0
261.22119	11.8
275.20032	8.2
296.96964	6.8
333.24307	27.2
335.25711	58.9
367.22800	9.3
372.62665	6.3
466.08075	6.6
611.46521	100.0
701.47119	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	773.2132
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
57.03438	1.5
61.02919	0.3
65.86653	0.2
67.31837	0.3
68.99823	0.3
69.03423	1.1
70.91445	0.7
71.04995	8.3
72.20151	0.3
73.02915	0.3
75.04469	0.4
81.03413	0.6
83.04986	0.6
85.02904	12.7
87.04446	0.3
92.77228	0.3
95.04959	0.5
97.02919	1.4
99.04457	0.4
109.02874	0.5
111.00797	0.7
111.04446	0.4
121.02951	0.6
127.03907	1.1
129.05470	2.0
137.02319	2.1
139.03857	0.5
145.04974	0.8
147.06538	0.3
149.02306	0.4
153.01834	3.1
163.03967	0.4
165.01848	1.2
183.02939	0.5
201.05479	0.9
219.06493	0.3
229.04953	3.0
247.06068	0.7
250.89812	0.3
257.04453	1.9
267.84866	0.3
274.04694	0.8
274.20023	0.3
285.03864	1.0
287.05515	0.5
303.04987	100.0
304.05316	2.6
315.05026	0.6
341.10495	0.3
345.06061	0.5
350.03354	0.3
367.07260	0.4
465.10294	19.5
466.10522	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	14.5
55.05510	28.0
57.03432	13.0
58.06600	3.1
59.05003	2.9
61.02916	2.6
61.51434	2.1
65.03940	6.8
67.05501	72.6
68.58725	2.5
69.03422	12.1
69.07064	23.6
69.39861	22.6
70.06109	2.2
71.04980	7.4
73.02899	3.0
77.97138	2.3
79.05489	57.9
81.03417	61.8
81.07055	80.7
83.04982	21.3
83.08619	28.5
85.02903	20.4
85.06538	6.6
86.06052	4.0
91.05477	90.0
93.07037	53.2
95.04968	35.3
95.08607	30.5
97.02898	8.5
97.06528	13.4
97.10157	8.6
99.04435	3.4
105.07023	74.3
107.04952	12.7
107.08588	44.3
108.89597	2.1
109.06512	13.9
109.10151	50.2
111.04488	4.6
111.08087	11.9
113.30997	2.3
115.05481	3.2
117.07007	13.3
119.08585	32.8
119.09385	3.9
120.96423	2.2
121.06538	9.4
121.10115	13.5
123.08092	7.4
123.11724	10.4
125.09630	6.9
127.07573	4.2
129.06982	14.8
131.08565	27.1
133.06479	6.7
133.10130	75.4
135.08063	9.5
135.11662	7.2
137.09605	3.0
139.07626	2.6
142.07782	3.2
143.08560	6.3
145.10110	11.3
147.08067	8.9
147.11685	16.3
149.09644	12.2
151.11160	27.1
155.08525	2.8
157.10155	19.4
159.11682	4.3
161.09602	7.4
161.13274	4.2
163.11165	5.0
165.12752	3.4
169.12230	3.5
171.11674	4.4
173.09651	3.4
175.11185	20.2
183.11761	3.5
187.11169	2.3
193.12254	49.7
211.13281	77.7
215.12805	3.9
215.85335	2.4
223.13251	4.4
227.12724	5.6
245.18973	4.9
253.14357	100.0
255.17667	3.7
263.20020	3.4
267.15884	31.8
271.15396	3.2
273.18509	31.7
275.19998	3.3
276.20505	2.8
285.16937	67.7
291.19525	46.3
327.24063	2.3
347.22083	11.8
365.23209	36.0
421.25677	2.3
463.26813	24.1
477.28479	2.8
481.27975	22.6
525.35529	4.4
536.69788	2.6
543.36664	4.1
557.34460	29.8
575.35724	58.1
758.55408	2.8
772.38623	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	772.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	7.6
55.05516	31.8
57.03442	17.2
57.07055	2.6
59.04998	3.7
60.99619	2.3
61.02930	5.7
63.73686	2.5
65.03939	5.5
66.73158	2.3
67.05176	4.2
67.05508	56.9
69.03435	9.9
69.07074	31.0
71.04998	7.0
79.05499	51.1
81.03425	60.0
81.07062	59.6
81.99892	2.4
83.04977	21.2
83.08620	28.4
85.02902	24.2
85.06570	4.0
91.05486	57.8
93.07044	36.8
95.04976	28.5
95.08616	21.0
97.02908	11.2
97.06544	9.9
97.10181	13.5
99.08138	2.9
105.07032	44.3
107.04951	17.7
107.08599	25.3
109.06535	9.1
109.10167	20.0
111.08081	8.3
111.17179	2.7
113.05994	3.3
115.05453	3.1
117.07001	11.9
119.08591	32.6
121.06495	7.4
121.10177	15.7
123.08084	6.4
123.11667	3.6
125.09647	9.2
125.29482	2.6
129.06993	13.5
131.08560	22.5
133.06483	3.8
133.10132	30.4
135.08041	6.8
135.11731	3.7
137.09637	4.9
143.08540	3.3
145.10121	13.6
147.08061	9.3
147.11696	12.8
149.09612	9.7
149.13354	2.5
151.11197	8.5
157.10129	15.1
159.08081	3.1
159.11771	4.0
161.09567	4.0
161.13271	2.6
163.11171	5.9
165.12851	3.2
171.11766	4.0
173.93410	2.4
175.11171	15.7
189.11253	3.4
193.12239	43.9
196.63692	2.5
207.24850	2.4
211.13289	66.6
223.13287	21.0
227.12813	6.3
249.14847	4.0
253.14307	16.9
263.20206	3.1
267.15933	33.3
269.17456	4.8
273.18542	24.9
283.15463	8.6
285.16977	52.2
289.81198	2.5
291.19543	100.0
323.24033	2.6
347.22171	4.3
350.76007	3.1
365.23257	45.4
463.27023	4.1
477.28427	6.0
539.33472	3.4
557.34784	32.0
558.34692	3.3
575.35742	65.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	13.2
55.05510	38.4
57.03437	20.7
60.71571	3.3
65.03949	5.0
67.05179	5.4
67.05507	83.5
69.03424	15.8
69.07067	33.0
69.61329	17.7
69.61736	9.5
69.75804	3.5
71.04987	12.6
79.05494	72.1
81.03419	74.6
81.06585	5.2
81.07059	98.6
83.04971	34.3
83.08616	39.6
83.39880	2.9
85.02900	25.2
85.06546	3.8
85.45898	3.2
91.05478	100.0
93.07041	66.7
95.04968	41.7
95.08607	42.2
96.04515	5.2
97.02887	8.6
97.06519	14.0
97.10160	12.9
99.08134	3.9
105.06382	6.0
105.07037	70.9
107.04970	30.2
107.08591	40.7
107.35455	3.8
108.91727	3.0
109.06516	15.1
109.10161	43.6
111.04437	7.7
111.08057	13.8
113.05998	3.7
115.05399	4.1
117.07029	21.5
119.08582	42.6
121.06483	16.7
121.10136	23.4
123.08100	15.9
123.11699	9.4
125.09638	5.7
127.07584	4.1
128.06203	5.9
129.07008	20.8
131.08540	30.0
133.06482	9.0
133.10138	74.6
135.08032	10.9
135.11694	14.0
137.09657	5.7
142.07771	6.4
143.08519	5.6
145.06500	4.0
145.10121	22.4
147.08054	10.9
147.11690	28.2
149.09615	18.1
149.13249	4.6
151.11177	22.6
157.10153	15.1
159.08009	4.7
159.11684	11.7
161.09604	8.4
161.13290	7.1
163.11162	18.5
169.10112	3.6
169.12230	5.8
171.11674	7.3
173.09602	3.6
173.13367	4.7
175.11145	20.2
175.14853	4.1
177.12737	4.4
184.07336	3.9
185.13214	3.7
193.12245	40.1
209.11760	4.8
211.13307	63.5
222.07082	3.2
223.13316	8.0
227.12833	6.2
245.19115	6.7
249.14806	5.0
253.14291	48.5
263.19928	3.9
267.15881	28.8
269.17438	15.0
273.18494	35.5
275.20044	8.4
283.15347	20.5
285.16946	40.5
291.19583	62.5
309.20419	3.6
347.22049	15.5
349.23581	5.1
365.23257	44.8
438.78183	4.1
463.26984	20.9
477.28546	33.3
481.27682	13.1
489.97348	3.4
539.33588	6.8
557.34821	44.3
575.35809	65.2
624.21326	4.0
773.40375	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	771.503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.6
55.05508	9.1
57.03440	5.6
57.07052	1.3
61.02923	12.0
65.03932	1.6
67.05500	19.6
69.03421	7.3
69.07063	8.4
69.38748	1.8
69.39158	9.7
71.01335	1.7
73.02899	6.7
73.90968	1.0
76.61625	0.9
79.05486	12.6
80.95513	0.9
81.03418	3.2
81.07057	16.5
83.08612	4.2
85.02909	10.6
87.04465	1.1
91.03935	5.9
91.05475	11.1
93.07041	12.2
95.04978	1.5
95.08597	13.9
97.02883	10.8
97.10173	2.7
98.20744	1.5
99.04446	1.5
101.02378	1.5
105.07037	8.9
107.08611	8.5
109.02901	1.3
109.06528	1.4
109.10149	6.8
115.05479	1.5
117.06987	6.0
119.08575	10.3
121.10136	5.4
123.11716	2.0
127.03904	2.6
128.06258	2.6
129.07002	6.2
131.08551	8.8
133.10095	6.8
135.07971	1.0
135.11707	2.4
137.09694	1.3
141.07022	3.2
142.07759	1.9
143.08574	10.5
145.10155	9.0
147.11688	4.4
149.13231	2.2
154.07747	2.0
155.08539	8.8
156.09303	1.2
156.29713	1.1
157.10143	9.3
159.11697	5.5
161.13312	1.8
167.08592	3.9
168.09309	1.9
169.10098	9.2
170.10895	1.1
171.11705	8.6
173.13287	3.5
175.14873	1.9
179.08598	1.6
181.10181	5.9
182.10970	1.2
183.11690	9.7
185.13225	5.0
185.88313	1.2
187.14822	3.5
193.10139	3.2
195.11703	6.7
197.13239	6.2
199.14845	4.9
201.16400	1.4
203.62769	1.1
205.10249	1.3
207.11664	3.2
209.13248	3.9
211.14828	4.5
213.16399	2.0
223.14844	3.9
225.16397	3.2
227.17917	2.2
235.14873	2.4
237.16405	2.9
239.18015	1.5
249.16486	1.2
251.17970	2.0
252.08398	1.1
271.20667	1.3
309.21890	2.2
325.25208	1.1
337.25250	1.5
339.87881	1.2
407.29224	1.6
517.40637	7.4
535.41357	3.2
539.37653	2.2
541.38367	2.1
591.44153	6.8
607.43536	2.1
609.45099	100.0
610.45349	5.9
735.47931	1.1
771.50262	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	771.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.1
55.05514	10.8
57.03452	5.5
61.02929	13.1
63.30380	0.9
65.03937	1.5
67.05505	24.4
68.05775	1.1
69.03428	9.3
69.07071	10.0
69.82156	6.6
71.01340	1.0
71.04970	2.0
73.02914	5.8
79.05499	18.6
80.05827	1.4
81.03416	4.7
81.07054	21.6
82.07385	1.2
83.04980	3.1
83.08636	6.4
85.02907	11.0
85.06553	1.7
87.04446	1.0
91.03958	6.9
91.04447	1.1
91.05475	16.8
93.07040	19.0
94.07366	1.7
95.04958	4.4
95.08603	18.1
96.08921	1.2
97.02895	10.4
97.06513	2.7
97.10165	2.6
101.00049	1.0
101.02357	1.4
105.07037	15.3
107.04947	2.2
107.08604	12.7
109.02840	1.7
109.06480	1.3
109.10162	8.4
113.70583	1.1
115.05487	2.3
117.07020	8.5
119.08579	14.2
121.10135	6.7
123.08041	1.3
123.11704	2.9
125.09593	1.2
127.03943	3.0
128.06221	2.7
129.07014	9.9
131.08578	13.4
132.45024	1.5
133.06586	1.5
133.10123	8.1
135.08104	1.4
135.11707	4.5
137.09669	1.3
141.07027	5.0
142.07797	2.4
143.08562	11.0
145.10120	12.6
147.11734	6.9
149.13313	1.8
154.07706	1.1
155.08566	8.2
156.09343	1.5
157.10138	10.9
159.11702	9.5
161.13255	2.8
163.11119	1.3
167.08591	4.7
168.09329	1.9
169.10114	12.6
170.10733	1.1
171.11687	10.0
173.13251	6.1
175.14857	2.3
178.40694	1.4
179.08589	1.9
180.09351	1.3
181.10088	4.7
183.11710	11.5
185.11832	1.3
185.13258	7.6
187.14819	3.9
193.10101	2.8
195.11719	6.5
197.13309	8.9
199.14833	5.8
201.16336	1.5
205.10178	1.8
207.11688	3.2
209.13269	5.9
211.14836	6.2
213.16434	3.7
218.42366	1.0
219.13792	1.2
221.13232	3.2
223.14832	4.6
225.16373	3.8
227.17929	2.3
237.16386	2.5
239.17941	2.1
241.19505	1.8
249.16454	1.6
251.17897	2.0
311.23523	1.2
333.22110	1.4
367.26260	1.4
449.33582	1.5
501.34900	1.3
517.40356	6.8
535.41492	2.6
539.37103	1.6
591.44165	6.1
607.43481	3.7
608.43732	1.3
609.45099	100.0
610.45752	6.1
612.47272	1.6
651.45807	1.7
654.43268	1.3
735.47375	2.3
753.48602	1.8
771.50452	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	5.9
55.05510	17.4
57.03424	6.2
61.02919	2.3
65.03922	2.2
65.43497	2.0
67.05504	55.2
69.03416	3.5
69.07069	18.2
69.33020	20.2
71.04970	5.1
73.06567	1.8
79.05495	69.8
81.03429	9.1
81.07055	56.0
81.26116	1.9
83.04989	11.2
83.08629	8.5
85.02878	2.4
85.06535	3.2
91.05480	55.6
93.06474	3.9
93.07045	60.7
95.04957	18.2
95.08612	24.1
97.02879	3.8
97.06528	11.1
97.10174	4.7
98.20768	2.8
105.07035	37.1
107.04944	8.3
107.08593	29.7
109.06501	6.9
109.10146	12.5
111.08062	4.4
115.05472	1.8
117.07045	12.6
119.08581	22.6
121.06509	4.4
121.10120	10.4
123.08038	4.4
123.11649	2.6
125.09589	2.2
127.03876	1.9
128.06256	2.1
129.06982	12.0
131.08574	14.7
133.06436	2.5
133.10121	18.3
135.08043	4.7
135.11685	9.9
141.06956	2.2
143.08565	7.9
145.10146	9.7
145.68295	1.9
147.08044	2.8
147.11678	26.8
149.09627	6.7
149.13246	5.3
157.10112	2.3
159.11702	7.9
161.09630	4.0
161.13237	5.5
163.11217	3.2
171.11707	15.3
173.13297	3.2
189.12802	8.6
195.13873	2.3
207.13826	18.3
233.71620	1.7
235.40607	1.7
253.14378	3.9
255.15897	6.7
257.19049	5.3
269.17453	15.1
275.20090	16.6
281.17496	34.6
349.23907	8.6
407.82318	1.9
461.28998	16.9
475.30530	100.0
555.36871	21.5
573.37561	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	770.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	10.3
55.05511	30.6
57.03425	10.0
65.03937	5.3
67.05502	82.2
69.03425	5.4
69.07070	32.5
70.72013	2.4
70.72366	5.7
71.04990	5.6
73.06560	3.1
77.03883	1.9
78.10997	1.7
79.05490	100.0
81.03430	18.9
81.07056	85.0
83.04979	18.6
83.08618	17.8
85.02916	3.8
85.06552	4.1
91.05479	81.1
92.05841	2.6
93.07040	86.8
95.04967	28.1
95.08607	36.3
97.02898	4.1
97.06531	14.9
97.10163	5.2
103.05441	2.2
105.04591	2.3
105.07027	65.2
107.04961	16.6
107.08601	36.3
109.02837	1.8
109.06490	10.7
109.10145	13.7
111.08086	6.2
117.06996	15.9
119.08569	44.1
119.09359	3.5
121.06517	4.5
121.10133	14.5
123.08062	5.7
125.09634	4.3
127.03915	3.2
128.06271	4.3
129.06992	18.2
131.08565	15.3
133.06529	2.7
133.10118	25.6
135.08076	4.6
135.11707	13.4
137.09628	3.8
143.08543	13.0
145.10117	22.6
147.08093	2.4
147.11681	36.6
149.09616	12.7
149.13257	7.6
153.09064	2.3
155.08612	2.1
157.10062	4.3
159.11690	11.4
161.09581	2.7
161.13269	11.6
163.11177	9.0
169.10201	3.7
171.11670	26.0
173.04449	4.1
173.13243	4.4
175.11310	3.4
177.12785	3.1
179.14279	3.1
187.11185	1.9
187.14862	2.3
189.11237	3.7
189.12753	10.6
192.83185	1.9
195.13794	5.4
197.13377	3.6
207.13821	25.0
225.14732	2.4
227.12825	8.5
239.17973	3.5
254.91599	1.7
255.15945	6.8
257.18875	9.0
267.15912	3.4
269.17441	12.0
275.20032	33.4
281.17468	69.7
282.17792	3.9
293.21228	3.0
349.23694	20.3
435.27533	5.0
451.26996	3.4
461.28949	26.6
475.30557	88.5
476.30692	3.0
491.30280	2.2
527.36975	2.7
537.35840	3.4
544.32861	2.2
555.36823	39.0
573.37555	6.1
619.34253	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	8.4
55.05521	33.5
57.03432	8.8
57.07062	3.3
58.73500	3.4
65.03947	3.9
67.05503	100.0
69.03427	8.4
69.07065	23.1
69.99727	8.6
70.00141	13.2
71.04969	6.4
79.05497	97.1
81.03409	17.2
81.07052	85.0
83.04979	23.9
83.08617	12.6
85.02898	6.1
85.06532	9.1
85.26803	4.2
91.05477	93.8
93.07041	94.8
95.04971	26.8
95.08616	45.9
97.02869	9.8
97.06513	19.0
97.10167	8.1
99.08064	5.3
105.07035	74.5
107.04967	16.6
107.08581	43.3
109.06521	13.7
109.10154	15.7
111.08097	6.0
117.07030	25.9
119.08585	45.5
121.06488	4.9
121.10144	18.1
123.08073	9.8
129.07022	26.6
131.08582	28.1
133.10115	27.0
135.11713	14.2
139.22638	4.3
141.07021	4.4
143.08566	16.5
145.10147	29.7
147.08035	6.2
147.11649	33.8
149.09610	9.8
149.13266	4.7
155.08557	5.5
157.10101	8.0
159.11696	20.9
161.09666	5.9
161.13258	10.9
163.11214	10.8
164.51776	3.6
169.10202	6.7
171.11684	37.1
173.13258	5.4
183.11562	4.1
185.13362	5.6
187.15082	4.2
189.12778	10.9
190.13019	4.2
195.11694	6.0
203.14221	4.9
207.13805	27.8
227.12831	6.8
227.41206	4.3
233.58377	4.3
239.18079	10.0
255.15800	6.7
257.19031	19.4
267.15952	7.2
269.17590	14.7
273.18680	4.1
275.20093	41.9
281.17477	82.0
283.15396	5.1
291.19623	6.7
306.73410	5.0
331.22708	4.6
349.23849	21.0
361.29053	4.3
451.26721	5.1
461.28964	25.6
475.30533	66.0
537.35291	7.3
541.35059	11.6
555.36841	40.0
573.34924	7.7
608.43677	13.2
770.47229	5.2
771.11005	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	770.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.8
55.05507	42.3
57.03432	13.8
63.84304	4.6
65.03931	9.5
67.05503	82.5
68.05821	4.6
69.03429	5.3
69.07068	29.1
71.04981	8.2
71.58995	5.4
75.74443	4.6
79.05492	89.7
81.03411	13.4
81.07049	79.2
82.87969	4.6
83.04518	5.3
83.04971	26.9
83.08601	9.2
91.05479	95.9
92.05788	6.1
93.07038	100.0
94.07346	5.5
95.04946	24.8
95.08598	44.9
97.02895	10.7
97.06522	13.9
105.07027	79.6
105.27337	4.2
107.04936	12.3
107.08591	31.6
109.06512	6.3
109.10151	15.9
111.08089	5.8
117.07026	22.4
119.08558	44.8
121.06508	6.6
121.10132	14.0
123.08054	13.2
129.06981	27.0
131.08559	20.9
133.10138	34.1
135.11688	9.0
143.08554	13.6
145.10117	22.2
147.11674	47.4
149.09749	4.9
149.13255	8.4
149.29108	4.4
151.11171	7.3
152.11479	5.5
157.10063	5.6
159.11694	16.2
161.09694	8.3
161.13252	23.7
162.07780	4.2
171.11661	29.0
179.14296	5.4
189.12770	12.5
207.13786	27.7
241.19580	7.4
253.14291	7.6
257.18753	5.4
259.20587	27.2
269.17517	12.8
275.20050	13.7
279.15842	7.4
281.17523	45.8
293.20969	5.2
333.24164	13.9
349.23154	5.5
475.30490	27.0
539.37146	17.6
555.36206	9.5
557.38562	6.7
573.37018	14.6
764.47369	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	769.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	16.6
55.05512	44.8
57.03432	15.7
57.07075	7.9
61.02927	13.6
65.03944	8.4
67.05173	8.3
67.05508	100.0
69.03431	43.8
69.07067	41.5
69.58782	33.1
71.04996	19.0
72.81052	4.1
73.02924	7.5
79.05499	97.0
80.05835	3.9
80.32884	3.7
81.03422	81.3
81.07060	99.2
83.04993	27.5
83.08628	26.9
85.02921	26.2
85.06543	5.6
86.02164	4.1
91.03932	4.8
91.05485	90.8
93.07050	83.2
94.07352	6.2
95.04970	27.4
95.08617	66.7
97.02905	30.3
97.06542	13.9
97.10188	9.5
98.20815	8.4
99.04452	7.1
101.02369	4.4
103.05453	7.0
105.07034	82.4
107.04975	13.7
107.08602	55.7
109.02867	8.2
109.06532	10.5
109.10160	31.9
111.04448	4.8
111.08114	5.7
111.85504	4.2
115.05480	5.6
117.07024	40.9
119.08585	57.7
121.10156	27.2
123.08127	6.7
123.11665	8.2
125.09679	10.8
127.03914	15.4
128.06242	12.2
129.05531	4.6
129.07021	29.6
131.08565	54.3
133.06477	10.3
133.10138	48.8
135.08043	8.2
135.11691	15.8
137.09633	5.8
141.07007	16.9
142.07803	7.3
143.08522	31.8
145.04900	5.0
145.06494	6.9
145.10144	41.4
147.08072	8.5
147.11678	33.4
149.09608	7.6
149.13223	9.4
153.07002	5.3
155.08557	28.2
156.09311	4.4
157.10118	35.1
159.11707	26.7
161.09598	9.1
161.13287	15.0
163.11159	7.4
166.07814	6.4
167.08592	18.2
169.10150	23.4
171.08057	5.9
171.11703	26.0
173.04498	31.7
173.09663	7.7
173.11958	4.8
173.13292	16.7
175.11191	7.0
175.14915	5.9
179.08580	10.3
181.10114	20.0
182.10896	6.5
183.11673	26.7
185.09720	4.8
185.13312	17.6
187.11229	9.7
187.14827	11.8
189.11267	4.0
193.10175	16.4
195.11743	15.1
197.09689	5.4
197.13284	20.1
199.11215	4.5
199.14915	11.4
201.12769	6.6
205.10164	7.5
207.11736	9.5
209.13304	18.1
211.14801	11.8
213.16386	4.6
219.11757	5.3
221.13234	12.7
223.14900	13.1
227.18134	6.0
227.20203	5.6
235.14828	13.1
237.12799	5.3
237.16507	5.7
239.17938	7.4
257.19025	5.3
259.20636	8.8
273.18616	6.5
275.20035	23.7
281.17514	8.7
291.19534	12.3
315.23285	6.8
333.24118	6.5
367.22797	12.0
385.23508	6.6
515.38159	8.7
533.39648	5.8
571.36157	4.7
572.36627	15.8
589.42267	5.6
607.43652	89.6
625.44031	7.0
653.40851	5.4
751.48224	6.3
769.48822	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94262	7.4
55.05504	18.7
57.03434	6.3
67.05499	86.9
69.03442	9.2
69.07055	28.9
69.25449	43.2
69.25872	32.5
79.05494	75.1
81.03399	16.1
81.07054	73.3
83.04973	22.9
85.06553	8.4
91.05476	84.5
93.07042	75.7
95.04964	30.1
95.08604	39.7
97.06541	9.2
97.10143	7.4
98.20738	13.9
105.07029	55.1
107.04933	12.7
107.08623	36.6
109.06525	13.2
109.10153	39.2
117.07001	14.5
119.08582	35.1
119.59333	6.5
121.06557	11.9
121.10115	11.3
123.08061	12.0
129.06999	23.3
131.08569	19.0
133.06561	9.1
133.10112	52.4
135.11716	7.9
143.08545	14.7
145.10109	13.5
147.11681	29.0
151.11206	27.0
161.09578	9.5
161.13260	11.5
171.11673	29.4
177.21417	8.1
179.14508	6.8
189.12781	15.8
197.49814	7.7
207.13843	25.3
253.14352	100.0
273.18533	32.9
281.17490	67.5
291.19574	51.5
347.22229	14.9
365.23135	36.1
477.28381	30.9
477.34921	7.0
496.98117	7.7
529.39154	8.0
553.35077	18.0
571.36414	93.8
713.83813	6.5
768.44830	16.5
788.20184	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	769.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69988	2.2
54.78891	2.3
55.01877	13.3
55.05512	47.5
57.03439	21.5
57.07075	5.7
57.55152	2.5
61.02925	16.5
65.03942	15.8
67.05503	86.7
68.68992	2.5
69.03077	3.3
69.03428	41.5
69.07066	37.5
69.26901	17.0
69.27319	9.1
71.01340	2.6
71.04984	8.4
73.02911	10.8
75.85904	2.6
78.95576	2.3
79.05493	76.9
81.03416	65.1
81.07056	89.6
83.04981	17.7
83.08618	15.0
85.02898	26.0
85.06528	3.7
87.04475	2.8
91.03939	10.3
91.05481	81.1
93.07043	76.5
95.04969	26.9
95.08047	4.7
95.08608	61.8
97.02890	25.2
97.06531	9.6
97.10166	12.1
99.04442	9.8
103.05480	3.4
105.07034	74.4
107.04964	8.0
107.08592	41.1
109.02863	15.1
109.06507	13.2
109.10165	28.1
111.04429	2.7
111.08083	6.5
115.05444	7.3
117.07021	34.7
119.08582	55.7
121.06490	6.7
121.10143	31.6
123.04375	3.6
123.08088	8.1
123.11708	7.6
125.09606	6.6
127.03899	13.6
127.07556	2.7
128.06224	10.4
129.05466	7.4
129.07005	32.3
130.07761	6.2
131.04909	2.7
131.08574	45.8
133.06458	5.7
133.10123	35.1
135.08038	8.9
135.11719	15.8
137.09607	5.6
139.03842	3.0
141.06976	17.2
142.07774	9.3
143.08551	32.7
145.04996	2.4
145.06465	6.7
145.10130	38.6
146.10507	2.7
147.08066	8.2
147.11708	25.2
149.02345	52.2
149.03429	4.2
149.09622	9.6
149.13263	9.2
150.02711	2.8
151.11177	3.2
153.07021	5.5
154.07741	4.1
155.08545	29.0
156.09276	3.2
157.06577	3.8
157.10133	33.7
159.08046	5.3
159.11691	27.7
161.09653	3.5
161.13269	9.7
163.11200	8.7
163.14865	4.4
165.07014	7.3
166.07756	3.6
167.08585	14.7
168.09395	6.8
169.10117	32.7
171.08046	5.0
171.11665	22.9
173.04512	18.6
173.09511	4.0
173.13217	16.7
175.14880	3.1
178.07814	3.1
179.08525	10.8
180.09331	2.8
181.10110	25.6
182.10846	3.3
183.11691	32.1
185.09633	5.0
185.13277	16.5
187.11240	3.6
187.14804	7.1
189.12766	3.7
189.16302	2.9
191.08604	2.6
193.04967	60.0
193.10120	9.2
194.10875	4.2
195.11707	23.2
197.09602	3.5
197.13281	22.7
199.11136	5.7
199.14792	8.6
201.16354	3.5
205.10170	4.8
206.10803	3.2
207.08099	2.6
207.11658	11.9
208.12424	3.0
209.13274	16.4
211.14828	10.7
213.16409	3.8
215.17918	3.3
217.10260	3.2
219.11835	4.5
221.13287	12.7
223.14787	10.0
225.16412	7.6
227.17995	4.2
227.19992	8.5
233.13226	5.8
235.14919	4.8
236.08325	2.8
236.15663	3.3
237.16411	10.1
239.17949	6.4
241.19554	3.3
245.13318	4.1
247.14992	3.9
247.20604	2.6
251.18019	4.0
253.19533	2.9
255.17159	2.8
257.18958	7.6
259.20609	7.3
263.17868	2.8
271.20630	3.8
273.18506	3.8
275.20175	22.7
277.21631	3.4
283.10425	2.4
283.20560	2.8
313.21613	3.5
321.22119	4.6
325.21509	3.2
333.22375	2.3
339.23257	3.7
347.23557	3.2
349.25095	3.6
351.23282	3.9
358.59528	2.6
361.24963	3.0
367.22681	6.2
385.23776	3.7
447.32147	3.5
459.27368	4.3
475.26660	2.7
513.35852	6.9
515.38770	7.7
527.37097	4.5
533.40167	5.2
539.38123	4.9
589.42010	4.5
605.41968	3.7
607.43506	100.0
608.43750	7.7
625.44495	5.9
653.40009	3.2
715.44543	6.7
733.46387	5.5
751.47449	9.7
755.81055	2.9
766.53864	2.8
769.17578	5.1
769.48840	48.1
770.49280	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	766.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	5.5
57.03437	8.7
57.06822	2.1
57.07076	21.1
67.05505	10.6
69.07061	5.9
69.64323	3.0
69.64732	8.1
71.01354	1.4
71.08632	18.5
74.21814	1.5
74.46541	1.4
79.05499	5.4
81.03420	52.2
81.07057	14.8
83.04980	2.2
83.08627	14.3
85.10178	10.2
91.05476	10.2
93.07033	4.2
95.04968	14.3
95.08609	11.4
97.02911	2.6
97.10182	4.6
98.21455	3.0
105.07053	4.5
107.04952	3.0
107.08551	2.6
109.10154	6.4
110.47549	1.5
111.08080	4.2
116.64750	1.5
117.06959	2.8
119.08583	6.5
121.06584	2.0
121.10155	2.6
123.04412	2.1
123.11689	3.0
129.06981	3.5
131.08585	5.3
133.06528	2.1
133.10100	2.7
137.13316	1.9
142.07813	1.7
147.11662	4.0
149.09564	1.7
157.10156	6.3
159.17923	1.7
165.12729	1.6
175.11205	6.9
193.12251	20.2
223.16776	1.4
235.13284	3.9
239.23686	3.2
249.15005	2.0
267.15924	100.0
268.16180	1.7
277.14383	3.3
289.14273	1.8
294.95493	1.6
309.17078	3.9
313.27383	93.0
314.27762	2.3
341.30502	3.0
443.18793	2.5
489.30951	2.1
505.38864	77.7
506.39377	2.6
547.39722	3.8
601.40845	2.2
645.39160	2.3
663.40228	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.5305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05530	1.8
57.07071	22.6
59.00006	2.0
67.05487	2.8
69.07047	4.2
71.08627	40.1
71.19979	3.8
71.20331	1.9
73.06553	2.2
81.07037	2.5
85.10185	18.4
87.04458	25.3
89.06029	100.0
91.05479	12.6
93.07038	6.2
95.04991	2.1
98.02759	1.9
105.07032	4.0
107.04933	5.0
107.07058	5.4
107.08631	2.0
117.06983	2.5
117.09147	3.3
119.04926	2.2
119.08583	6.4
121.06513	16.9
121.31620	2.1
123.08052	2.3
127.14893	1.8
130.08589	3.8
131.07036	10.7
131.08511	2.1
133.08598	68.7
135.08041	7.0
135.11700	1.8
138.54649	2.0
147.08069	9.0
149.09619	5.8
150.06781	3.0
163.11154	3.5
165.09134	6.1
175.09592	6.9
177.11205	23.4
184.07330	5.3
191.10655	2.9
193.12160	2.0
211.13223	2.0
219.12190	2.8
221.13873	4.1
235.13141	2.5
239.06299	2.0
247.20544	13.0
255.15894	1.8
260.28177	2.0
273.22110	4.4
291.23135	30.8
317.24716	2.0
335.25674	5.0
367.99744	1.9
502.39615	2.1
506.38913	2.6
549.26361	2.0
587.01532	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	7.2
55.05513	19.5
57.03424	6.6
65.03942	1.9
67.05502	40.2
69.03433	9.8
69.07069	20.6
69.31149	16.6
71.04979	1.5
79.05495	49.4
81.03414	9.8
81.07056	33.7
83.04987	9.1
83.08593	7.3
85.06533	2.0
91.05477	34.4
93.07043	42.2
95.01302	2.2
95.04964	15.8
95.08614	20.3
97.02891	7.9
97.06518	5.4
97.10168	12.3
103.05457	2.2
105.07023	26.2
107.04970	7.8
107.08607	17.6
109.06522	5.1
109.10185	7.8
111.08075	3.2
112.84980	1.5
115.05425	2.0
117.07018	9.3
119.08578	21.1
121.06499	5.1
121.10151	4.8
123.08079	5.2
125.09628	5.3
128.06284	2.6
129.06996	11.9
131.08585	8.7
131.30582	1.5
133.06465	3.0
133.10146	11.9
135.08069	2.4
135.11710	3.3
137.09604	1.9
138.54820	1.5
143.08572	5.1
145.10104	11.4
147.08057	7.8
147.11673	20.9
149.09613	2.6
151.11134	1.5
155.08609	1.7
156.09348	2.4
157.10158	2.6
159.11707	3.2
161.09628	4.3
161.13254	5.2
163.11177	2.4
171.11684	10.8
177.12675	1.8
182.10583	1.6
189.11211	2.6
189.12764	5.9
205.12352	1.5
207.13847	11.9
223.13289	13.3
227.12730	3.7
229.27429	1.6
249.14882	4.1
273.18481	12.8
281.17484	44.8
291.19550	86.9
347.21960	2.8
365.23209	30.3
465.34674	1.8
473.29102	4.0
553.35510	3.0
571.36292	100.0
572.36823	3.3
607.43597	1.6
633.32544	2.0
640.59393	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
54.05392	0.6
55.05509	1.3
57.03437	2.3
61.02922	6.2
67.05497	5.9
69.03432	3.0
69.07085	1.5
69.49943	0.8
71.04994	3.6
73.02919	3.9
79.05483	2.6
81.03427	1.5
81.07055	6.8
83.04963	1.1
85.02901	4.7
91.03953	3.4
91.05473	4.2
93.07047	4.4
95.08616	3.7
97.02911	4.1
97.06511	1.0
98.30056	0.9
99.04464	1.2
101.02396	2.2
105.07043	2.0
107.08578	3.4
109.02901	1.2
109.10187	1.2
111.08014	0.6
119.08624	1.1
121.10141	1.4
123.11730	1.1
127.03967	1.7
131.08569	0.7
133.10172	2.2
135.11710	1.6
143.23363	0.7
147.11632	0.8
149.13373	1.1
151.11232	1.0
159.11795	0.8
187.96124	0.6
229.34532	0.8
243.08528	2.8
257.17636	0.9
267.15793	0.8
269.17191	0.7
339.28888	1.1
356.59665	0.7
406.14771	0.7
485.23438	10.7
494.80551	0.8
519.29321	5.8
647.56305	0.8
649.87012	0.7
763.45996	100.0
764.46405	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	765.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	10.9
59.68747	7.8
67.05495	39.8
69.03430	19.6
69.07059	17.4
72.94907	8.2
76.76121	8.4
79.05471	12.3
81.03442	18.3
81.07067	58.5
85.02902	82.9
87.55867	7.6
88.26366	8.4
91.05482	10.6
93.07044	36.0
95.08611	78.1
97.02881	28.4
98.56441	7.6
99.04459	50.0
103.03939	86.1
105.07034	34.6
107.04959	13.1
107.08574	62.0
109.02851	21.2
109.10144	100.0
119.08587	33.6
121.10138	49.9
123.11756	15.3
126.93710	7.8
127.03918	98.9
133.10136	28.5
137.05945	9.9
145.04974	52.4
145.10159	17.3
147.11707	29.6
149.13266	26.7
159.11685	11.6
161.13277	30.8
163.06030	50.1
163.14897	12.9
175.14868	17.2
177.16411	10.0
180.89513	8.4
187.14845	14.1
189.16371	38.1
201.16245	12.5
203.17926	32.2
207.17462	33.5
215.17982	18.6
217.19536	33.1
311.27206	12.1
405.35147	34.2
423.36111	62.9
441.37549	15.4
555.75171	8.8
741.47412	8.9
761.37579	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	763.401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.4
57.03420	1.7
67.05508	4.5
69.07075	2.3
81.03432	3.1
81.07073	2.6
86.09705	1.9
91.05500	1.6
92.76984	1.8
93.07071	3.1
95.08591	2.7
97.02870	1.9
109.10144	2.8
135.11644	2.5
145.10258	1.6
147.04399	1.8
184.07419	6.4
185.07751	1.5
268.16483	1.9
665.23676	1.9
745.41443	3.1
763.40619	100.0
764.41046	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.7
57.64157	1.6
59.05045	1.5
67.05506	2.1
70.56586	5.8
79.05493	1.8
81.07038	2.7
89.71610	2.2
93.07047	2.9
125.00011	3.2
132.80920	1.7
172.19174	1.6
184.07294	13.9
218.73843	1.8
242.45105	1.7
267.09097	1.9
285.10242	2.5
387.26080	1.8
530.39514	2.1
623.45959	2.0
673.65741	1.8
739.92096	1.8
763.40436	100.0
764.40497	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.8
53.64725	0.4
54.90985	0.4
55.05506	1.7
56.43423	0.4
57.03438	1.9
57.08864	0.4
61.02926	3.8
66.47737	0.5
67.05503	3.1
69.02045	0.5
69.03438	2.9
69.07059	1.3
70.10819	2.0
71.04998	0.7
73.02921	3.3
79.05499	3.7
81.03407	3.9
81.07054	4.2
83.04959	0.8
83.08621	0.9
85.02906	5.0
86.09679	0.6
86.66433	0.5
89.97427	0.4
91.03946	3.2
91.05467	4.1
93.07053	3.6
95.04996	1.4
95.08633	1.5
97.02910	3.6
97.06586	0.7
99.04466	0.6
101.02404	2.0
103.03935	0.6
105.07037	3.2
107.04955	0.7
107.08613	0.9
109.02908	0.6
115.03968	0.9
117.07014	0.6
119.08624	2.0
121.10143	1.2
123.08054	0.5
127.03940	1.8
129.06952	0.6
131.08585	1.9
133.10152	2.2
141.02435	0.5
145.10120	0.9
147.11719	1.1
149.54703	0.5
157.10170	1.3
159.11766	0.5
169.20320	0.5
169.39388	0.4
185.04269	0.7
192.03169	0.5
193.12265	1.3
211.13203	0.5
229.12047	0.4
243.08418	3.8
251.12665	1.1
301.09067	1.7
317.20715	0.6
342.60852	0.5
383.17175	0.6
453.20972	0.6
469.20477	12.8
470.20432	0.6
535.28534	3.7
541.22888	1.7
763.42322	100.0
764.42664	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	763.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.9
55.01869	0.7
55.05509	1.6
57.03440	1.4
61.02923	5.0
61.15667	0.5
67.05505	5.2
69.03436	2.8
69.07066	2.4
69.70892	3.4
71.05011	0.8
73.02924	2.4
79.05491	4.1
81.03429	1.8
81.07057	6.7
83.04987	0.8
83.08615	1.4
84.67865	0.5
85.02916	3.7
91.03972	2.4
91.05475	3.3
93.07046	5.2
95.04967	1.2
95.08631	2.2
97.02898	4.1
97.06502	0.8
97.10194	0.7
99.04443	0.8
101.02406	1.7
105.07049	2.3
107.08569	3.4
109.02866	0.7
109.06521	0.7
109.10181	0.9
111.08088	0.6
117.07014	0.7
119.08601	1.1
119.57628	0.6
121.10170	1.0
125.09637	0.6
127.03928	2.0
129.06966	0.5
131.08548	0.7
133.10141	1.1
135.11705	1.3
149.13301	2.1
149.76987	0.5
152.36246	0.5
159.11736	0.8
171.04735	0.5
184.07353	0.6
185.04164	0.7
205.93269	0.6
214.80600	0.6
235.13031	1.3
243.08357	2.9
278.84769	0.6
289.04089	0.5
301.08798	0.6
333.20514	1.7
419.23160	0.6
439.19504	0.7
453.20950	9.0
469.20630	1.4
535.29205	0.6
551.28363	4.8
763.42334	100.0
764.42450	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	763.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	1.0
55.01857	1.1
65.03936	1.4
68.99788	6.0
71.49504	0.7
81.03407	2.7
82.60094	0.6
93.03352	0.8
95.04976	1.1
99.04451	1.0
105.03391	0.8
107.04973	0.7
109.02850	3.2
111.00821	6.4
111.04436	1.5
119.04900	1.0
121.02853	1.7
123.04427	9.5
127.03916	68.4
131.04936	0.8
133.02846	2.6
135.04382	1.4
139.03899	100.0
140.04219	1.6
147.04398	6.0
149.02351	2.9
149.05986	0.8
151.03896	31.4
153.01817	10.7
155.03360	2.8
155.04626	0.6
157.06531	0.9
159.04382	1.0
161.05998	1.8
163.03897	7.4
165.05415	1.2
167.03421	3.6
169.06401	0.7
171.04471	1.6
173.05989	1.4
175.03893	9.2
177.05460	4.6
179.01814	1.4
179.03392	29.1
181.04977	2.3
183.04521	0.7
185.05959	2.1
187.03841	1.7
189.05476	2.7
191.03394	6.9
193.04953	3.3
197.05960	1.7
199.03920	2.9
201.05447	4.3
203.03387	13.7
205.04935	3.2
213.05455	4.4
215.03456	1.0
217.05019	3.4
221.04291	0.7
223.02327	1.3
225.05492	1.1
227.03441	0.9
229.04999	4.4
231.06570	2.4
233.04414	2.8
241.04938	2.3
243.06534	0.9
245.04463	11.3
247.05972	0.9
251.05507	0.7
253.04924	0.8
257.04446	8.1
259.05988	2.1
263.05493	17.5
269.04602	3.7
271.06042	2.8
275.05460	7.7
277.07144	1.2
281.04532	1.1
287.05478	32.5
288.05899	1.0
289.07071	5.4
295.06122	0.8
299.05508	19.0
300.05658	0.8
301.06989	0.8
305.06631	5.9
307.08188	1.0
311.05408	1.3
317.06567	15.3
323.05496	1.8
341.06534	0.8
348.96161	0.7
361.07437	0.7
407.07513	7.9
425.08643	18.6
426.08957	0.7
443.09695	2.4
449.08337	0.8
593.13110	0.7
595.10895	1.0
603.03156	0.6
611.30829	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	1.4
53.03936	1.1
55.01852	1.7
56.96566	1.3
57.39320	0.9
65.03941	1.4
68.99794	6.2
71.57239	1.2
71.57636	0.9
81.03412	3.2
85.02935	0.8
91.05476	1.0
95.04945	1.3
98.97573	1.4
99.04448	1.2
109.02888	3.8
111.00813	6.4
111.04402	1.6
116.98632	1.5
117.03379	1.8
119.01909	1.7
119.04979	1.4
121.02823	2.0
123.04413	10.4
127.03916	66.6
131.04974	0.9
133.02800	1.3
134.99657	0.9
135.04404	3.2
139.03902	100.0
143.01900	1.2
145.02878	2.8
147.04401	6.4
149.02344	2.4
151.03885	30.8
153.01833	12.8
154.45894	0.9
155.03394	1.8
157.06410	1.1
159.04404	3.0
161.02937	1.1
161.06003	1.3
163.03911	14.3
165.05464	1.7
167.03394	3.5
171.04390	1.5
175.03883	10.3
177.05475	5.9
179.03395	32.5
180.03670	1.3
181.04991	1.9
185.05994	1.0
189.05496	2.2
191.03436	6.9
193.05000	2.6
199.03964	3.1
201.00630	1.3
201.03674	1.0
201.05444	4.1
203.03391	14.4
205.04930	3.5
213.05513	4.2
215.03366	1.6
217.05016	4.1
219.01799	2.3
225.05544	1.5
227.03485	1.3
229.04961	3.1
231.06604	3.5
232.07298	1.0
233.04446	3.5
237.02858	1.1
241.04974	1.9
243.06598	1.0
245.04556	11.7
247.06076	1.4
257.04468	9.1
259.06030	2.2
263.05490	21.4
269.04416	4.7
271.06015	3.5
275.05417	10.9
287.05499	36.2
288.05801	1.2
289.07083	6.1
290.07452	1.1
295.05881	1.5
299.05481	16.3
301.06894	1.4
303.04944	2.5
305.06604	7.1
317.06601	13.4
323.05545	1.7
365.06778	1.1
367.71524	1.1
407.07687	9.0
421.05310	1.1
425.03168	1.2
425.08698	21.5
426.08731	1.0
437.08557	1.2
439.06943	1.1
439.12939	1.3
439.28894	0.9
443.09509	3.5
449.08954	1.6
467.09454	1.1
595.10480	2.0
597.97864	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.7
57.07076	36.5
59.25836	0.8
67.05508	1.4
69.07066	1.7
70.06577	0.7
71.08632	28.1
71.58810	1.6
73.06551	14.0
74.75635	0.8
81.07051	1.2
83.08643	2.3
83.35761	0.8
85.10178	20.6
87.04473	13.3
89.06033	100.0
97.10161	3.6
99.11730	5.3
105.03415	1.3
107.07072	5.8
107.08597	0.8
111.11741	1.0
113.13275	1.3
115.61726	0.9
117.09134	11.1
125.00054	1.1
130.08635	4.2
131.07056	3.4
133.08604	51.5
135.10225	1.2
149.06042	1.4
155.17940	6.2
161.11726	1.8
175.09689	2.6
177.11241	20.9
177.12695	1.6
184.07365	3.8
199.20558	5.6
221.13863	3.3
243.23233	7.1
256.26334	1.9
260.72391	1.2
265.32834	1.0
283.17548	1.6
287.25858	4.5
303.30380	0.9
326.59491	0.9
413.10364	1.0
647.42236	1.0
651.35199	0.9
762.38959	1.3
762.55292	1.6
763.43054	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68837	5.9
55.05482	10.3
67.05505	30.4
69.07050	24.0
71.01332	23.7
71.59100	10.5
72.69103	6.3
79.05474	16.5
81.07043	43.8
83.08578	8.1
85.02908	42.7
91.05471	17.8
93.07050	31.0
95.01314	18.7
95.08601	93.1
101.02389	42.5
105.07021	31.8
107.08572	39.5
109.10162	60.3
111.08051	9.2
117.06973	6.7
119.08587	53.5
121.10122	40.2
123.11659	16.3
127.03915	87.9
131.03452	5.8
131.08556	13.2
133.10127	45.3
135.11696	33.2
137.13304	6.7
139.97778	6.1
141.01799	52.5
143.08577	8.8
144.09401	7.3
145.04964	54.6
145.10080	24.9
147.11723	29.6
149.13225	22.9
157.10152	14.4
159.02885	7.2
159.11708	31.8
161.13263	40.5
163.14804	16.4
173.13249	16.7
175.14792	21.7
177.16495	27.7
179.71794	6.9
184.07320	13.3
185.13220	6.5
187.14804	17.0
189.16365	29.7
191.17929	8.7
199.14761	6.0
201.16350	30.3
203.17876	24.2
205.15907	6.9
213.16431	7.5
215.18004	14.9
217.15956	8.6
217.19518	26.0
229.19429	16.9
243.21051	13.4
245.18930	8.1
255.21121	11.4
269.22946	7.9
273.60889	6.9
285.78406	5.6
315.12451	6.4
321.11404	6.2
365.31992	12.1
405.35294	29.9
423.36188	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.9
55.05504	2.9
56.96561	1.7
57.03449	1.9
61.02917	4.7
67.05500	6.3
69.03429	3.0
69.07076	2.1
69.55169	6.9
69.55577	3.6
73.02914	3.8
79.05497	5.5
81.03427	3.1
81.07072	7.4
82.07405	1.5
83.04983	1.4
85.02911	4.7
85.51682	1.3
86.09721	2.2
91.05501	4.4
93.07030	6.7
95.04907	1.4
95.08628	5.3
97.02901	2.9
101.02412	1.9
105.07037	4.4
107.08599	5.5
110.89477	1.4
111.48591	1.6
117.07019	1.4
119.08600	3.8
121.06531	1.5
121.10147	2.0
133.10155	2.1
135.11696	5.0
145.10144	3.5
158.50670	1.4
159.72890	1.4
163.11201	3.4
184.07353	1.5
185.04260	1.9
227.12794	3.9
243.08549	2.5
249.11076	5.9
303.05121	3.7
305.13562	2.0
315.10474	1.7
421.70248	1.7
467.18729	12.2
535.28784	3.2
546.38379	1.7
620.52399	1.5
666.96777	1.7
702.50177	1.7
759.98297	1.4
761.40753	100.0
762.41028	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	761.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	6.0
55.05500	11.3
57.03425	2.2
57.07064	2.2
63.35114	2.4
67.05502	21.5
69.07065	16.2
70.94547	7.1
71.01344	20.3
72.50521	2.1
73.02912	4.5
75.04469	7.0
79.05486	11.4
81.07054	43.4
83.08607	9.8
85.02902	34.7
91.05475	10.6
93.07030	30.6
95.01331	24.6
95.04973	2.9
95.08600	84.9
97.06512	3.0
97.10167	4.6
99.00816	2.6
101.02373	46.7
105.07020	34.0
107.08582	48.9
109.06520	4.2
109.10147	59.8
111.08085	10.2
111.11735	4.3
113.02390	3.4
117.07007	4.1
119.08569	54.4
121.10133	43.8
123.11699	24.6
127.03910	79.7
131.08557	13.5
133.10130	42.4
135.11688	30.4
137.13254	7.3
139.11168	2.7
141.01823	48.0
143.08527	3.4
145.04955	59.7
145.10107	26.6
147.11682	30.4
149.13255	22.1
157.10094	7.1
159.02867	4.7
159.11684	31.1
161.13242	31.4
163.14839	16.7
171.11729	7.2
173.13216	16.0
175.14836	24.8
177.12904	2.7
177.16371	29.1
179.17952	2.6
184.07471	3.5
185.13254	3.4
187.14799	18.2
189.16380	25.2
191.17899	15.4
199.14784	7.8
201.16347	35.6
203.17950	36.4
205.15822	7.2
205.19530	9.2
207.17465	7.1
213.16458	4.2
215.17874	15.3
217.15919	3.6
217.19514	27.0
219.17436	4.7
219.20958	2.4
227.17955	8.5
229.19476	17.1
231.21127	7.1
233.18922	2.8
241.19481	6.9
243.21091	10.7
255.21100	5.9
257.22675	9.8
267.21017	4.2
269.22650	8.2
271.24008	4.9
283.24130	5.5
295.23999	3.3
297.25702	5.0
313.25235	4.9
330.26401	2.5
365.32004	9.8
369.25308	2.7
370.12924	2.5
405.35089	39.2
423.36169	100.0
424.36414	5.6
444.88443	2.4
548.26508	2.5
581.38092	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	761.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.01869	1.9
55.05499	1.9
57.03431	2.6
61.02924	4.3
67.05509	7.1
69.03433	2.9
69.07059	3.1
70.65334	1.8
71.04988	1.0
73.02909	4.0
76.03207	0.7
79.05489	4.6
79.90855	0.7
81.03419	4.8
81.07059	5.2
83.04990	1.8
83.08626	1.8
85.02912	6.3
91.03958	2.4
91.05471	6.5
93.07036	4.8
95.04946	2.7
95.08607	2.8
97.02868	4.0
97.06541	1.6
97.10184	1.1
98.20825	0.9
101.02424	1.5
105.07030	4.3
107.04922	1.3
107.08610	2.7
109.10147	1.3
116.99444	0.9
117.07067	1.5
119.08607	3.7
121.10149	1.0
127.03924	1.8
131.08583	2.2
133.10147	2.6
135.11737	1.3
139.03983	0.9
145.10117	1.4
147.11722	1.7
149.09630	1.4
155.97795	0.9
157.10110	1.4
159.11703	1.0
159.89256	0.9
184.07352	1.4
243.08455	2.1
275.20041	1.8
303.05072	5.2
315.19333	3.5
441.08194	1.6
469.20407	10.5
533.27509	5.4
761.40790	100.0
762.41022	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.1
55.01876	0.5
55.05509	0.9
57.03431	1.4
59.05010	1.1
61.02923	3.7
65.99451	0.4
67.05503	2.9
69.03429	2.8
69.07055	0.7
70.79651	0.7
70.80006	1.0
71.04994	2.0
72.90325	0.4
73.02917	2.8
79.05494	2.7
81.03415	6.2
81.07051	3.1
83.04969	0.9
83.08627	1.3
85.02911	4.1
87.04469	0.6
91.03963	2.1
91.05488	4.3
93.07039	2.9
95.04961	2.2
95.08618	1.0
97.02900	3.8
97.06511	0.6
101.02402	1.3
105.07035	2.6
107.04977	0.5
107.08607	1.3
109.02897	0.7
109.06469	0.5
109.10169	0.8
111.04446	0.6
119.08608	1.7
121.06549	0.7
121.10151	3.1
123.08093	0.8
127.03922	1.7
129.07013	1.4
131.04907	0.5
131.08592	2.6
133.10168	1.4
137.05972	1.1
139.03967	0.7
145.05051	0.4
147.11714	1.7
149.09647	2.6
151.03972	0.5
153.01848	0.5
157.10143	1.6
165.12851	0.6
167.07079	1.3
175.11229	1.3
181.04988	0.8
193.12294	2.4
211.13190	0.6
225.14964	1.5
241.14468	0.6
243.08408	2.1
253.14163	0.5
267.15918	1.0
283.15189	5.8
299.08990	0.5
303.04935	2.4
339.17877	1.6
441.08286	0.6
441.20850	0.6
465.15811	0.6
466.15680	0.5
469.20242	0.8
501.23065	24.9
761.39258	100.0
762.39478	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	761.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.7
55.05508	1.7
57.03426	3.0
61.02919	4.0
63.96658	1.2
67.05492	5.9
67.27367	1.7
69.02587	1.2
69.03437	2.8
69.07075	3.3
71.58451	1.1
73.02930	3.2
79.05499	4.0
81.03410	4.9
81.07059	4.7
83.04996	1.9
83.08618	1.4
85.02905	5.0
87.00432	1.3
87.96888	1.2
91.03986	2.4
91.05475	4.5
93.07032	5.2
95.04941	2.5
95.08590	3.3
97.02911	3.0
98.41579	1.4
104.25053	1.2
105.07037	3.9
107.04971	1.7
107.08624	2.0
112.14676	1.3
117.07048	2.1
119.08562	4.7
121.10107	1.4
121.80620	1.3
127.03972	1.6
131.08580	2.8
133.10170	3.8
134.80757	1.3
145.10052	1.5
147.11784	1.8
153.01880	2.2
157.10094	1.5
162.90851	1.3
175.85541	1.4
176.40311	1.3
181.55423	1.5
184.07309	2.5
197.63463	1.2
243.08470	2.1
290.93390	1.4
303.05029	7.6
315.19269	1.9
368.26666	1.4
415.37607	1.4
441.08179	2.2
469.20160	7.1
533.26996	6.8
662.31610	1.5
761.40765	100.0
762.41333	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	760.5775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07058	27.3
57.29498	11.2
60.03344	10.0
60.05530	9.0
71.08617	26.8
73.06567	9.4
85.10184	21.7
87.04448	14.7
89.06033	100.0
92.79103	9.6
97.10175	11.1
111.11672	9.4
116.58650	8.5
117.09166	13.3
133.08604	69.2
177.11182	23.2
328.72784	9.4
337.26663	9.6
557.44904	12.0
599.32532	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	761.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	0.5
55.01875	0.5
58.44097	0.3
65.03944	0.3
67.99980	0.3
68.99806	1.6
69.87865	0.3
70.71185	0.9
74.45941	0.3
79.01844	0.6
97.02885	0.4
106.27710	0.3
111.00806	0.6
111.04431	0.3
121.02863	1.2
123.04417	0.6
125.02353	0.6
127.03909	2.6
127.22117	0.3
131.04918	0.6
133.49228	0.3
135.04472	0.5
139.03900	14.4
143.03391	1.3
145.06548	0.3
145.83337	0.3
147.04477	0.5
149.02356	3.1
151.03908	1.1
153.01825	12.8
155.03371	0.6
155.04941	0.3
159.04390	0.9
163.03908	3.9
165.01877	0.5
167.03398	0.4
171.04355	0.9
171.74661	0.3
173.05963	1.1
175.03886	1.0
177.01840	0.9
177.05457	1.5
178.24333	0.3
179.03329	1.6
181.04930	0.9
181.16260	0.3
183.04399	0.5
185.06017	0.5
187.03888	1.0
189.05434	0.5
191.03352	2.6
197.05952	0.4
199.03822	0.7
201.05478	1.9
203.03397	0.5
205.04967	2.3
208.39597	0.3
213.05476	0.9
215.03336	1.5
217.05000	0.5
219.02885	2.3
225.05463	0.6
227.03362	1.0
229.04939	3.5
233.04442	0.8
234.05264	0.4
236.25511	0.4
237.03796	0.7
241.04958	0.6
243.02835	0.5
243.06686	0.6
245.04440	1.0
247.05986	1.8
253.04999	0.4
255.02921	0.6
257.04309	2.8
261.03964	3.5
263.05521	0.9
269.04678	0.7
271.06030	1.4
273.03925	2.7
274.04684	0.7
275.05457	2.6
281.04498	0.4
285.03900	2.9
287.05518	2.1
287.08371	0.3
289.07123	0.9
297.03906	0.7
299.05573	0.9
303.04984	100.0
304.05359	2.4
315.04968	10.1
315.08643	0.5
327.04996	1.4
351.05099	0.4
423.07214	2.1
435.07117	0.7
437.08975	0.6
441.08160	20.3
442.08356	0.7
453.08371	2.0
465.08023	1.3
591.11456	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
54.95906	0.4
55.01876	0.9
55.05521	2.2
56.01606	0.4
57.03433	2.1
58.33664	0.4
61.02927	4.8
62.65177	0.4
65.03931	0.6
67.05500	6.9
69.03433	2.5
69.07065	1.8
71.05007	0.7
73.02922	3.1
79.05489	7.2
81.03423	2.7
81.07064	6.6
82.07372	0.4
83.04977	0.5
83.08640	1.0
85.02908	3.4
86.67917	0.4
91.03969	2.5
91.05473	5.8
91.05925	0.5
93.07048	6.2
95.04962	2.2
95.08604	3.9
97.02886	4.0
98.21539	0.8
99.04447	0.6
101.02390	1.5
105.07027	5.1
107.04976	0.6
107.08633	2.6
109.10160	0.9
117.07034	1.4
119.08579	3.3
121.10120	2.3
127.03932	0.8
129.07030	0.9
131.08626	1.0
133.10106	2.7
135.08221	0.5
135.11713	1.3
143.08588	1.0
145.10133	1.4
147.11673	2.7
149.13301	1.1
157.10204	0.7
159.11679	1.0
161.13347	1.2
171.11703	1.7
173.13269	0.5
184.07353	0.7
185.86847	0.5
243.08353	2.2
247.13187	1.4
259.20621	0.6
267.15897	0.9
269.17517	0.7
300.51550	0.5
301.09134	1.2
303.15845	0.5
315.10660	0.6
334.24982	0.6
335.25897	1.7
379.19614	1.3
465.20975	9.1
495.22263	1.2
535.28784	6.7
537.22949	1.1
544.37592	0.6
562.38257	0.6
665.14606	0.6
689.35052	0.6
759.42871	100.0
760.43042	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	758.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.7
55.01879	3.9
55.05507	24.2
56.77253	2.1
57.03431	13.0
57.07065	4.4
61.02910	3.1
65.03937	4.3
67.05503	81.9
69.03422	6.3
69.06723	3.7
69.07066	32.1
70.11610	9.2
71.04986	6.5
71.64882	2.3
72.79164	2.0
73.02894	2.1
79.05058	4.4
79.05491	54.4
81.03429	13.1
81.07058	93.0
83.04988	12.4
83.08611	20.4
85.02888	6.3
85.06535	3.4
91.05467	39.2
93.07038	72.8
95.04950	16.0
95.08601	27.7
97.02922	3.2
97.06527	23.3
97.10133	6.7
99.08067	4.6
105.07033	28.3
107.04967	6.9
107.08603	43.2
109.06514	6.1
109.10145	11.4
111.08087	8.0
117.07004	17.3
119.08588	21.3
121.06498	5.1
121.10143	24.5
123.08075	3.0
123.11733	5.6
125.09654	4.6
127.69293	2.2
129.05565	2.5
129.06995	3.6
131.08582	22.0
133.10117	19.9
134.26308	2.3
135.08075	5.1
135.11682	16.9
141.07050	2.7
143.08513	4.3
145.10139	17.1
147.11649	12.4
149.09624	12.8
149.13260	30.6
159.11713	21.7
161.13176	3.1
163.11157	7.8
165.12814	2.7
171.11641	2.4
173.13322	3.8
177.12767	6.0
195.13779	15.4
211.13341	3.3
213.14757	2.9
227.12785	9.8
229.91545	2.5
239.18146	2.3
247.20642	2.8
255.15846	6.5
257.19043	10.5
259.20590	5.1
267.15945	3.1
269.14532	3.9
269.17477	81.3
275.20053	31.0
285.17053	6.9
333.24084	4.3
349.23718	21.6
369.86453	2.3
439.26816	4.5
449.28934	27.9
463.30530	100.0
464.30960	5.8
525.35742	4.5
543.36780	46.0
561.37628	7.4
607.34497	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	758.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.0
55.01865	1.3
55.05507	14.7
57.03431	5.1
57.07057	2.2
61.02920	2.4
65.03922	2.7
67.05502	61.4
69.03423	2.5
69.07072	13.4
69.32642	1.9
69.33035	10.8
71.04995	22.5
71.08649	1.4
74.32799	1.0
79.05491	35.7
81.07053	87.0
82.07390	1.6
82.97875	1.1
83.04968	3.8
83.08609	9.5
85.02899	2.4
85.06537	9.8
91.03946	1.4
91.05473	28.1
93.07040	36.1
95.04975	3.8
95.08604	26.5
97.02889	2.3
97.06536	5.3
97.10179	3.8
99.08095	1.5
105.07034	16.8
107.08597	22.0
109.06495	2.7
109.10150	11.5
111.08107	1.6
111.40795	1.2
115.30759	1.2
117.07005	6.1
119.08579	8.7
121.10136	14.8
123.08094	1.5
123.11674	12.8
131.08562	8.1
133.10141	16.5
135.11696	10.3
145.10106	5.9
147.11697	4.9
149.13292	6.9
151.11186	8.0
153.12703	1.3
159.11699	6.8
161.13255	1.9
161.73994	1.1
163.14847	1.4
173.13245	2.2
175.14735	1.4
177.12747	2.4
183.13799	4.0
187.13297	4.9
187.14824	1.7
189.16400	1.2
201.14885	2.0
227.16415	2.4
243.21265	1.6
251.20285	1.2
257.17599	2.0
261.22061	2.8
269.17508	6.5
301.20068	23.6
301.76273	1.2
302.20624	1.4
335.25784	22.4
411.32700	3.2
437.34009	2.0
485.36267	3.5
503.37283	100.0
503.98779	1.3
504.37610	4.8
511.37677	1.5
517.38959	5.0
529.38770	15.9
533.17847	1.5
561.41473	89.6
562.41724	4.3
586.45471	2.5
653.10284	1.3
713.13861	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	8.1
53.16830	2.1
55.01867	12.4
55.05512	34.7
57.03437	27.2
57.07060	5.7
61.02923	12.0
65.03918	3.5
67.05503	86.9
69.03432	7.0
69.07072	24.8
69.64420	6.5
69.64843	10.2
71.04978	5.4
73.02928	4.4
79.05493	71.8
81.03425	20.6
81.07056	81.8
82.04215	4.4
83.04979	16.0
83.08610	17.0
84.05803	2.4
85.02881	11.9
85.06536	3.1
91.05474	47.7
93.07039	75.8
95.04970	19.0
95.08602	55.2
97.02876	5.8
97.06522	9.4
97.10162	12.8
98.07311	7.1
103.06963	2.3
105.07027	32.6
107.04938	5.1
107.08589	35.7
109.06525	9.5
109.10149	33.6
111.04406	3.8
111.08095	5.4
116.04686	13.3
117.07014	12.9
119.08596	27.0
121.06473	3.4
121.10142	30.4
121.29907	2.1
123.08036	6.3
123.11743	4.9
125.09608	12.5
129.05492	27.4
129.06973	5.7
131.08562	24.8
133.10127	23.0
135.08023	2.8
135.11713	20.2
137.06021	2.2
137.13249	2.4
143.07030	4.9
145.10141	13.0
147.11708	13.9
149.09633	6.1
149.13217	10.0
155.08597	3.0
157.08624	11.3
157.10039	5.2
159.11703	10.3
161.13278	5.6
163.11169	6.8
163.14786	5.3
165.12721	2.6
171.10237	5.5
171.11691	4.6
173.13300	4.7
175.11179	6.1
175.14886	4.4
187.14738	2.9
189.11334	5.1
191.10567	2.5
193.12268	9.5
197.13501	2.4
211.13292	5.1
227.12712	11.9
229.14340	2.6
243.21040	6.6
250.72256	2.4
259.20535	4.2
261.22144	12.2
267.15945	8.7
275.20105	2.8
283.15417	8.4
301.13004	3.7
301.16455	64.9
335.25790	100.0
336.26236	7.3
442.01971	3.2
451.32645	2.5
523.68127	3.1
543.36761	8.1
561.37848	79.1
562.38129	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	758.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.1
55.01862	6.2
55.05511	22.8
57.03434	14.7
57.07068	3.3
61.02917	5.5
65.03928	3.2
67.05503	72.9
69.03418	8.1
69.07063	33.2
69.39381	4.5
69.39796	15.1
70.71401	2.0
71.04992	4.9
71.08625	3.8
73.02899	3.0
73.62615	1.9
79.05068	3.9
79.05494	59.5
79.71534	2.1
81.03412	15.5
81.07056	100.0
82.07394	2.3
83.05003	13.6
83.08614	23.3
85.02888	10.2
85.06525	5.9
86.09737	2.6
90.58009	1.8
91.05476	51.3
91.28332	2.1
93.06477	3.7
93.07043	67.9
95.04966	17.2
95.08599	35.1
97.02888	5.1
97.06530	15.9
97.10174	7.4
99.08034	3.2
100.74193	2.1
105.07014	38.0
107.04939	8.2
107.08591	42.9
107.51213	2.2
109.06525	6.6
109.10138	15.1
111.08068	6.0
117.07015	16.4
119.08566	21.6
121.06471	3.2
121.10144	29.5
123.08083	4.1
123.11701	5.5
125.09631	4.7
127.03941	2.4
129.07018	5.0
131.08551	21.8
133.06473	3.5
133.10106	26.4
135.08043	4.1
135.11671	13.6
136.28773	1.9
137.09576	2.3
137.63646	2.3
143.08527	3.6
145.10127	13.5
147.08040	2.4
147.11649	12.1
149.09612	9.2
149.13271	22.5
151.11151	6.7
157.10162	4.6
159.11699	17.4
161.13222	3.9
163.11179	4.8
165.12756	2.9
171.11688	2.4
173.09575	2.1
173.13274	4.7
175.11256	3.5
177.12779	7.9
179.14307	10.2
184.07335	3.9
189.11232	2.7
193.12123	9.5
195.13745	11.5
209.04112	2.2
211.13292	10.1
213.14822	3.3
227.12766	6.6
229.14357	2.2
253.14268	9.7
255.15926	4.9
257.19055	4.2
259.20523	5.2
267.15851	7.0
269.17484	67.7
271.15387	2.9
275.20096	18.0
277.21634	8.2
285.16849	11.5
322.19495	2.2
333.24106	2.7
349.23767	19.0
351.25232	5.4
449.29309	19.1
463.30496	73.1
464.30490	4.1
543.36700	35.4
544.37415	2.1
561.38226	16.6
607.34247	3.1
759.38403	8.7
781.14923	2.5
783.21576	2.5
783.94727	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	758.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	10.7
54.31486	3.3
55.01869	6.1
55.05512	38.8
57.03429	18.4
61.02920	6.8
65.03933	5.5
65.87197	3.6
66.24168	3.2
67.05504	72.6
69.03431	13.2
69.07068	20.8
69.38768	34.9
71.04998	8.5
72.04508	6.9
76.54462	3.9
79.05496	72.3
81.03413	60.6
81.07061	85.9
83.04979	18.1
83.08625	27.8
85.02913	24.0
85.06548	6.9
87.53693	3.4
91.03934	4.2
91.05479	100.0
91.06013	7.2
93.07043	82.1
94.06604	4.5
95.04947	38.3
95.08609	38.7
97.02884	6.6
97.06535	8.6
97.10163	11.3
98.21558	8.0
99.08131	3.4
103.05500	5.9
105.06380	7.0
105.07034	78.0
107.04954	14.2
107.08597	47.0
109.06509	8.4
109.10155	16.0
111.08095	9.9
115.05447	5.0
117.07015	23.1
118.87607	3.7
119.08581	62.4
121.06501	50.5
121.10159	28.7
123.08093	6.4
125.09641	8.5
129.07018	24.3
131.08566	35.5
133.10150	48.5
135.07986	3.9
135.11647	17.8
142.07784	4.3
143.08545	10.5
145.10098	22.3
147.08031	6.4
147.11696	45.8
147.60300	4.1
149.09608	9.3
149.13264	16.2
149.29604	3.6
157.10150	22.8
159.11731	16.2
161.13277	16.9
171.11755	10.1
173.11821	4.1
173.13284	12.0
175.11226	13.0
175.14830	7.7
183.11671	5.6
184.07333	7.0
185.13277	11.3
193.00343	4.0
193.12253	36.6
194.47238	3.6
199.14740	3.7
203.14359	4.4
211.13275	43.2
227.12836	5.4
231.21146	8.8
241.19563	18.9
257.19119	5.2
259.20544	33.3
261.14597	4.1
267.15842	20.5
269.17606	14.9
275.20032	6.3
283.15442	4.5
285.16931	56.6
297.05768	4.0
315.23254	9.3
333.24271	36.3
349.23837	4.6
433.31180	6.8
451.31854	7.3
507.34119	4.4
525.35632	23.4
543.36823	63.7
596.35364	49.9
597.36237	7.6
668.43365	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.8
55.01868	7.6
55.05505	32.1
57.03434	12.0
57.07068	5.1
58.73746	2.2
67.05503	75.2
68.04982	2.6
69.03417	5.7
69.07064	37.1
69.94568	14.0
71.04986	9.9
79.05495	75.8
79.05965	3.8
81.03412	33.8
81.07053	100.0
83.04980	13.7
83.08624	27.9
85.02902	16.7
85.06548	6.1
91.05473	59.3
92.05812	2.8
93.06470	5.8
93.07038	81.2
95.04958	22.1
95.08609	39.8
96.82176	2.5
97.02889	8.3
97.06528	19.7
97.10152	11.3
98.20741	3.8
99.08052	3.2
105.07027	50.9
107.04954	6.8
107.08586	59.8
109.02842	3.2
109.06531	7.5
109.10133	18.1
111.08075	11.6
117.07000	15.5
119.08584	38.4
121.06523	7.5
121.10138	27.2
123.08062	2.9
123.11707	5.1
125.09634	11.1
126.07769	2.5
129.07008	11.7
129.70190	2.8
131.08556	28.5
133.10146	28.2
135.08034	4.4
135.11667	15.1
139.11163	2.8
143.08560	5.2
145.10124	17.0
147.08055	4.9
147.11671	21.5
149.09625	15.1
149.13245	26.2
155.08586	3.1
157.10143	13.5
159.11679	22.5
161.13318	7.2
163.11151	7.2
167.14406	2.7
169.10170	3.0
171.11739	4.5
173.13197	3.1
175.11211	7.5
177.12741	6.6
183.11674	3.3
184.07443	3.6
189.11195	4.6
191.26942	2.6
193.12234	17.3
195.13789	11.4
197.13216	4.9
199.14728	2.7
199.16995	3.9
211.13239	27.4
227.12796	16.5
241.19504	10.0
257.18979	8.7
259.20560	23.7
269.17484	68.9
275.20023	33.7
283.15298	4.9
285.17029	28.1
333.24289	21.7
334.24521	4.0
339.79477	2.9
349.23898	22.0
423.27313	3.9
439.26895	8.8
447.30676	3.3
449.28937	9.3
463.30426	28.0
471.09903	2.7
525.35547	7.8
543.36749	64.0
561.37427	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	758.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.01860	1.9
55.05295	0.9
55.05507	9.5
56.05019	0.9
57.03444	5.2
61.02918	6.7
65.03945	1.2
66.89321	0.8
67.05503	14.7
69.03424	2.4
69.07070	5.2
70.72240	1.6
70.72572	1.7
71.04995	1.2
72.04501	2.7
73.02899	3.3
79.05142	1.1
79.05497	14.0
80.05000	1.5
81.03422	7.7
81.03831	1.3
81.07056	15.7
83.04975	3.2
83.08608	6.4
84.04512	1.2
85.02897	8.5
86.09678	2.0
91.03944	3.9
91.05473	20.2
93.07040	24.6
94.06566	7.5
95.04967	7.7
95.08601	7.7
96.08118	1.6
97.02882	4.2
97.06520	1.6
97.10175	3.7
103.05472	8.8
105.07030	15.6
107.04919	3.9
107.08588	7.0
108.08111	1.5
109.06535	1.7
109.10138	4.6
111.08089	1.6
117.07007	4.5
119.08577	9.9
120.08097	2.5
121.06500	69.3
121.10162	5.9
123.08052	1.6
125.00065	1.1
125.09612	2.6
127.03922	1.3
129.06981	4.3
131.08580	5.4
132.08086	1.9
133.06511	1.2
133.10144	8.0
134.09604	1.4
135.11690	2.3
143.08528	2.1
144.08044	1.3
145.10107	3.1
147.11688	6.6
149.13176	1.5
157.10129	2.6
159.11696	3.0
161.13240	3.8
169.10124	1.0
171.11739	2.4
173.13245	1.0
175.11176	1.8
175.14812	1.7
184.07300	4.9
185.13310	2.2
193.12276	4.9
198.09161	1.0
200.10698	1.7
200.14290	1.0
211.13225	5.1
212.10855	1.1
214.12274	3.2
218.15356	1.5
227.12785	2.0
229.14278	1.1
230.15427	1.6
231.21056	1.0
232.16896	2.0
241.19499	3.2
245.85272	1.3
253.14194	2.0
259.20602	7.2
264.94797	1.0
267.15915	3.7
268.15079	1.0
269.17398	1.7
275.19882	1.6
285.16940	6.3
308.20090	1.1
333.24167	7.3
335.25699	1.5
338.21078	1.6
352.22742	2.3
354.20609	2.4
366.20377	1.9
368.37405	1.0
374.61240	1.1
476.30777	1.6
486.30356	1.2
504.31186	6.0
522.31934	2.3
525.35455	3.0
543.36816	8.8
578.34808	5.5
578.42401	1.0
596.35712	100.0
597.35925	4.6
620.35486	2.9
638.36469	3.8
662.36115	2.3
686.35828	1.2
699.78296	1.1
704.37823	1.2
722.38544	4.1
729.35004	1.0
740.39716	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	758.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.01860	1.9
55.05295	0.9
55.05507	9.5
56.05019	0.9
57.03444	5.2
61.02918	6.7
65.03945	1.2
66.89321	0.8
67.05503	14.7
69.03424	2.4
69.07070	5.2
70.72240	1.6
70.72572	1.7
71.04995	1.2
72.04501	2.7
73.02899	3.3
79.05142	1.1
79.05497	14.0
80.05000	1.5
81.03422	7.7
81.03831	1.3
81.07056	15.7
83.04975	3.2
83.08608	6.4
84.04512	1.2
85.02897	8.5
86.09678	2.0
91.03944	3.9
91.05473	20.2
93.07040	24.6
94.06566	7.5
95.04967	7.7
95.08601	7.7
96.08118	1.6
97.02882	4.2
97.06520	1.6
97.10175	3.7
103.05472	8.8
105.07030	15.6
107.04919	3.9
107.08588	7.0
108.08111	1.5
109.06535	1.7
109.10138	4.6
111.08089	1.6
117.07007	4.5
119.08577	9.9
120.08097	2.5
121.06500	69.3
121.10162	5.9
123.08052	1.6
125.00065	1.1
125.09612	2.6
127.03922	1.3
129.06981	4.3
131.08580	5.4
132.08086	1.9
133.06511	1.2
133.10144	8.0
134.09604	1.4
135.11690	2.3
143.08528	2.1
144.08044	1.3
145.10107	3.1
147.11688	6.6
149.13176	1.5
157.10129	2.6
159.11696	3.0
161.13240	3.8
169.10124	1.0
171.11739	2.4
173.13245	1.0
175.11176	1.8
175.14812	1.7
184.07300	4.9
185.13310	2.2
193.12276	4.9
198.09161	1.0
200.10698	1.7
200.14290	1.0
211.13225	5.1
212.10855	1.1
214.12274	3.2
218.15356	1.5
227.12785	2.0
229.14278	1.1
230.15427	1.6
231.21056	1.0
232.16896	2.0
241.19499	3.2
245.85272	1.3
253.14194	2.0
259.20602	7.2
264.94797	1.0
267.15915	3.7
268.15079	1.0
269.17398	1.7
275.19882	1.6
285.16940	6.3
308.20090	1.1
333.24167	7.3
335.25699	1.5
338.21078	1.6
352.22742	2.3
354.20609	2.4
366.20377	1.9
368.37405	1.0
374.61240	1.1
476.30777	1.6
486.30356	1.2
504.31186	6.0
522.31934	2.3
525.35455	3.0
543.36816	8.8
578.34808	5.5
578.42401	1.0
596.35712	100.0
597.35925	4.6
620.35486	2.9
638.36469	3.8
662.36115	2.3
686.35828	1.2
699.78296	1.1
704.37823	1.2
722.38544	4.1
729.35004	1.0
740.39716	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	757.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	2.9
57.03431	2.0
61.02915	4.2
67.05502	9.1
69.03442	2.4
69.07069	4.1
70.28504	1.9
70.28911	3.6
71.05016	1.1
73.02916	3.0
79.05482	10.2
79.54608	0.9
81.03424	1.8
81.07052	11.7
83.05001	1.5
83.08611	1.6
85.02917	4.3
91.05473	7.7
91.52115	0.9
93.07040	8.0
95.04978	1.1
95.08598	5.7
97.02920	4.4
97.06540	1.3
105.07011	5.6
107.08618	2.7
109.10148	2.0
111.08046	1.3
117.07051	1.3
118.57523	0.9
119.08605	3.6
121.06496	1.3
121.10181	1.8
127.03928	1.3
131.08591	1.6
133.10136	2.7
135.11745	1.4
145.10153	2.4
147.11685	2.3
147.27177	1.2
159.11711	1.4
161.13361	1.5
162.83116	1.0
171.11748	1.5
179.14247	1.2
225.83083	1.0
232.52917	1.0
243.08549	3.2
247.13156	1.6
315.19418	2.4
335.25827	2.2
398.98993	1.2
463.30423	1.4
465.20944	8.9
533.27344	6.6
757.41266	100.0
758.41656	7.0
765.44409	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.01862	2.9
57.03423	2.9
61.02916	4.0
64.39498	0.9
65.03934	1.0
67.05487	2.8
68.99779	5.1
69.03429	9.2
71.01350	1.8
71.04981	1.7
71.58875	1.4
73.02909	2.8
79.05485	6.3
81.03418	10.5
81.07061	2.6
83.04965	1.1
85.02908	62.6
87.00837	10.5
91.05474	4.3
93.07035	3.2
95.01330	3.0
95.04969	5.3
95.08590	3.3
97.02892	10.6
99.04459	3.0
103.03956	1.3
103.05463	7.3
105.01870	9.0
105.07024	10.3
107.04951	51.9
107.08611	1.2
109.02892	11.5
109.10137	1.3
111.04418	1.7
113.02317	1.8
113.66901	0.9
115.05424	4.8
117.01965	1.0
117.07017	3.8
118.04197	1.9
119.04915	2.1
121.06491	3.8
123.04406	4.9
125.02393	1.7
125.05985	1.7
127.03913	19.1
129.01834	3.6
131.04927	9.9
133.06493	22.6
135.04411	2.1
135.08054	29.1
137.02420	1.1
137.05981	21.8
139.03952	1.6
139.07521	1.9
139.39088	1.1
141.01772	5.7
144.05682	1.1
145.04994	5.3
145.06471	6.0
147.02893	2.3
147.04388	3.4
147.08055	1.8
148.05190	32.9
149.05948	1.0
151.03947	1.8
151.07568	4.9
152.04782	1.5
153.05449	2.1
159.02913	2.6
159.08112	1.4
161.05983	24.1
162.06743	1.0
163.03920	12.0
163.07542	75.6
164.07928	2.4
165.09102	1.7
167.07048	21.9
168.07391	4.0
172.05316	1.1
173.05994	2.5
175.07541	3.8
177.05424	1.8
177.09103	3.2
178.06253	55.8
179.06851	1.7
180.54955	1.0
181.04922	5.4
181.08589	4.1
182.05309	2.3
187.07545	3.5
189.03955	3.1
191.07016	1.5
193.08615	35.6
199.70042	1.0
205.08554	5.9
207.10155	2.4
213.03880	1.9
213.09180	1.2
214.06375	1.0
217.08644	1.4
225.08932	2.1
227.06900	1.1
229.08728	1.2
231.04918	4.9
231.10181	1.1
235.09648	2.1
236.10080	1.1
253.08711	2.2
255.06450	1.5
259.09677	1.1
270.08820	1.3
273.06015	2.0
279.10199	1.2
285.06079	1.4
285.11108	3.3
302.11591	1.3
303.12341	2.3
305.96121	0.9
317.13834	100.0
318.14151	2.7
341.13812	6.8
353.13766	1.1
359.14850	12.8
383.14862	4.5
417.15430	4.2
418.15759	4.2
425.15961	1.9
457.14346	1.1
458.28836	1.1
464.98361	1.0
578.33215	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.4
65.03931	2.5
68.99784	7.4
69.55419	3.6
69.55840	2.2
79.41189	0.8
81.03414	2.0
91.05473	5.0
95.04960	1.2
99.04447	0.9
101.99529	0.7
109.02880	3.8
111.00806	5.6
111.04449	1.5
119.04935	9.3
120.83930	0.6
121.02888	1.9
123.04427	9.6
127.03910	54.3
131.04916	0.9
133.02844	2.8
135.04433	0.9
139.03893	100.0
140.04251	1.1
145.02792	0.8
145.06415	0.7
147.04404	31.5
149.02356	1.3
151.03897	26.1
155.03372	3.0
157.06488	1.0
161.05981	1.1
163.03905	7.7
165.05475	1.1
167.03394	2.7
171.04468	1.3
173.05954	1.0
175.03880	7.4
176.04617	0.7
177.05470	2.6
179.03386	22.6
181.04900	0.9
185.05952	1.6
187.03920	1.2
189.05420	2.0
191.03371	4.6
193.04941	2.5
197.05966	1.2
199.03951	2.6
201.05441	2.8
203.03374	12.3
205.04990	4.4
213.05540	3.8
217.04999	2.9
225.05365	1.1
229.04977	2.5
229.67696	0.6
231.06557	2.5
233.04492	2.0
241.04961	1.0
243.06604	1.4
245.04451	8.2
247.06004	0.9
253.04901	1.5
257.04425	7.3
259.05975	1.7
263.05472	13.3
269.04532	2.6
271.05969	3.9
275.05432	7.9
277.07016	1.4
281.04547	1.2
287.05478	27.5
288.05783	0.8
289.07028	9.4
299.05472	17.3
301.07022	0.8
305.06589	4.8
309.26016	0.8
311.05768	1.1
317.06543	9.3
318.06720	0.8
323.05536	1.4
350.12225	0.9
365.06332	0.7
391.95438	0.7
407.07544	5.1
425.08633	16.2
443.09869	2.7
701.97516	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2183
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
53.03942	0.3
55.01851	0.3
57.03437	1.2
61.02920	0.6
61.84605	0.2
68.99811	0.3
69.03410	1.0
70.06593	0.3
71.04990	7.6
71.57961	0.6
75.04456	0.3
81.03410	0.8
83.04980	0.4
85.02903	11.7
87.04443	0.3
97.02869	1.1
99.04464	0.3
105.03381	0.3
107.04935	0.5
109.02884	0.3
111.00812	0.5
111.04427	0.6
120.50037	0.2
121.02861	1.9
123.04438	0.5
127.03902	1.0
129.05492	2.1
135.04422	0.4
137.02307	0.6
139.03900	0.6
145.04953	0.8
147.04424	0.5
147.06450	0.5
153.01822	2.6
153.05452	1.2
161.06044	0.3
163.03854	0.6
165.01823	1.3
177.05499	0.3
183.02904	0.6
213.05460	0.7
231.06462	0.5
241.04910	0.8
257.04346	0.4
258.05273	0.6
259.05798	0.3
285.04059	0.3
287.05484	100.0
288.05756	1.8
299.05637	0.4
303.04944	5.1
329.06592	0.3
422.93643	0.3
449.10797	17.8
450.11166	0.3
636.00085	0.3
690.77808	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.1
55.01873	13.3
55.05518	22.2
57.03432	7.6
58.57510	2.7
67.05506	40.8
69.03401	2.8
69.07073	28.1
71.05015	4.0
71.58472	4.1
71.58852	3.6
75.05367	2.7
79.05495	38.9
81.03417	31.2
81.07059	54.6
83.04976	14.6
83.08615	16.1
85.02898	13.4
91.05477	66.6
93.07036	34.7
95.01334	9.9
95.04978	21.0
95.08608	26.8
95.87124	2.5
97.02891	4.2
97.06525	23.0
97.10148	3.1
105.07030	71.1
107.04937	14.8
107.08594	20.5
109.06506	5.5
109.10155	10.9
111.08082	6.4
117.07032	17.0
119.08574	37.8
121.10145	11.6
123.04426	3.0
129.06989	8.3
131.08580	20.6
133.10135	47.0
135.11713	8.3
137.09631	4.8
143.08620	2.6
145.10101	17.9
147.11690	19.0
149.09671	13.3
155.08565	2.9
157.10121	8.7
159.11719	9.9
161.13203	4.8
163.11214	2.9
165.09163	2.8
171.11739	6.5
173.13246	3.6
175.11147	6.0
179.14243	14.8
193.12196	16.6
205.36493	2.8
211.13292	20.6
218.50053	3.1
219.17474	2.9
220.85291	2.6
257.18994	7.5
267.16006	18.7
269.17484	3.0
275.20065	77.6
279.15930	3.1
285.16925	37.6
293.21387	2.9
349.23755	42.2
393.13495	2.5
403.10443	3.1
541.35254	48.1
542.35315	4.0
543.25372	2.7
559.36310	100.0
560.36786	4.7
568.13037	3.1
585.61041	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
55.01855	5.6
55.05512	20.1
57.03432	12.6
57.60765	3.3
65.24686	2.9
67.05502	49.0
67.80814	2.8
69.03432	9.3
69.07061	27.4
79.05492	31.3
81.03423	17.1
81.07056	51.7
83.04996	6.4
83.08613	14.0
85.06566	3.3
91.05480	31.9
93.07045	43.7
95.04963	11.6
95.08595	18.9
97.02888	9.8
97.06528	8.2
97.10174	12.0
100.38247	3.1
102.51318	2.9
105.07019	20.9
107.04950	10.2
107.08589	30.5
109.06564	3.4
109.10144	10.5
111.08041	7.5
113.00082	2.7
117.07012	9.6
119.08616	13.6
121.06504	5.6
121.10144	16.4
123.08080	3.8
125.09632	7.3
129.07057	4.1
131.08574	14.0
133.06500	4.7
133.10126	14.2
135.08041	5.2
135.11697	5.0
143.08495	4.5
145.06412	3.2
145.10115	6.7
147.08037	7.1
147.11705	9.1
149.09610	3.9
149.13283	16.3
151.11107	3.1
157.10155	6.7
159.11723	9.9
161.09576	3.9
163.11113	3.6
171.11639	3.5
179.14276	3.2
195.13728	6.2
223.13297	17.2
227.12793	7.0
249.14883	4.6
265.24661	3.5
267.15891	9.2
269.17465	50.6
273.18491	16.0
275.20032	6.2
291.19543	88.8
292.19940	3.9
351.25583	4.3
365.23190	35.8
453.51953	3.7
461.28873	4.8
507.34192	3.8
541.35284	8.6
559.36310	100.0
560.36517	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	756.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.2
55.01875	15.8
55.05511	23.5
56.16457	2.2
57.03439	12.6
61.02918	2.4
64.10471	2.6
65.03961	3.2
67.05505	48.2
69.03459	2.9
69.07068	27.8
70.12629	11.9
71.04996	3.5
79.05491	42.5
79.60870	2.2
81.03416	43.6
81.07057	56.1
82.81126	2.4
83.04979	11.8
83.08618	17.2
85.02910	18.0
91.05479	65.7
93.07050	40.4
95.01341	7.0
95.04965	22.3
95.08607	29.3
97.02872	2.9
97.06538	28.5
97.10178	3.4
105.07027	72.2
107.04966	18.4
107.08595	19.0
109.06559	5.5
109.10172	8.5
111.08083	9.3
117.07053	12.0
119.08585	43.3
121.06531	4.5
121.10175	12.4
123.04406	2.6
123.08070	7.0
123.11682	3.0
125.09636	2.7
129.07011	10.1
131.08560	27.4
133.06534	3.4
133.10132	40.0
135.08049	6.0
135.11732	6.4
136.53084	2.6
137.09648	3.9
142.07816	2.8
143.08566	3.5
145.10115	18.4
147.11700	24.2
149.09624	10.7
149.13243	3.5
157.10133	9.7
159.11726	9.5
161.13228	5.5
163.11234	4.8
165.12714	3.4
165.98383	2.7
171.11713	2.5
173.13277	5.1
175.11192	10.2
177.12706	3.1
179.14287	13.2
193.12241	25.3
211.13295	24.8
247.20358	2.9
257.18933	5.7
267.15878	39.1
275.20050	90.4
276.20456	2.7
279.15869	3.4
285.16949	70.4
293.21057	4.9
306.36441	2.8
349.23727	35.7
431.84357	2.9
535.61584	2.6
541.35291	65.5
542.35364	5.5
559.36328	100.0
560.36377	7.5
616.24939	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	756.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.6
55.05508	13.7
57.03429	7.8
62.53510	0.8
64.82072	0.9
65.03953	0.9
67.05502	16.1
68.45719	1.1
69.03427	1.9
69.07053	3.7
70.85194	2.4
70.85540	0.9
71.04986	3.5
79.05491	18.6
81.03416	43.8
81.07056	16.7
83.04979	3.9
83.08616	14.1
85.02911	1.5
85.06535	2.0
91.05475	15.9
93.07047	11.5
95.04970	17.2
95.08604	6.6
97.02892	1.3
97.06533	2.5
97.10174	15.0
105.07024	12.1
107.04951	12.5
107.08585	10.0
109.06515	6.9
109.10155	3.7
111.04449	2.2
111.08086	4.3
115.05494	1.6
117.07026	4.5
119.04933	1.6
119.08565	8.9
121.06474	7.5
121.10143	6.1
123.04425	1.0
123.08070	3.0
125.09624	10.9
129.07025	6.5
131.04884	1.5
131.08540	10.0
133.06519	4.5
133.10147	3.3
135.08063	5.9
135.11664	1.4
137.06001	1.4
137.09581	1.3
141.07019	1.0
142.07748	1.4
143.08553	2.8
145.06483	4.4
145.10094	2.9
147.04407	1.2
147.08044	5.6
147.11720	4.7
149.09644	4.7
149.13345	1.0
153.09109	1.9
155.08492	1.3
157.06509	1.7
157.10092	6.3
159.08141	1.6
161.09654	2.4
163.11185	2.8
165.12787	1.5
167.10760	1.5
171.08034	2.7
171.11714	1.1
173.09741	1.6
173.13312	1.2
175.11185	6.7
181.10187	1.4
185.09573	1.4
189.09676	1.2
189.11221	5.7
189.12764	1.9
191.14320	1.9
193.12215	12.2
195.11664	1.2
199.11317	1.3
201.12788	1.2
205.12219	1.2
211.13298	1.9
213.12700	1.9
215.14384	2.0
217.12277	1.9
219.13828	2.2
223.13269	1.7
227.12666	2.3
231.13933	1.0
233.15419	3.9
239.14203	1.6
255.13858	1.6
259.13336	1.3
267.15906	37.6
273.14685	5.5
293.17560	1.2
308.15475	1.0
321.22272	1.0
339.23209	1.6
349.21521	4.2
357.24271	2.1
367.22604	15.6
385.23697	24.4
403.24762	8.4
405.23950	1.5
421.25433	1.2
441.26309	9.9
459.27399	100.0
460.27777	1.9
477.28467	78.6
478.28482	1.6
491.30069	13.0
501.28549	2.4
509.31091	4.5
510.25735	1.0
555.01825	0.9
567.29291	1.9
585.29095	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.1
55.05513	34.0
57.03426	12.2
62.84826	3.4
65.03939	5.1
67.05505	64.3
69.07053	14.7
71.04960	5.9
79.05063	8.1
79.05497	82.7
81.03391	12.1
81.07053	64.3
83.04977	13.3
83.08604	13.8
85.06550	6.6
91.05484	100.0
93.07048	87.2
95.04975	26.4
95.08145	4.2
95.08620	41.8
97.06546	4.7
105.07037	80.3
107.04960	13.3
107.08580	32.4
109.06494	6.4
109.10181	8.9
111.04368	3.5
114.73513	4.0
117.07002	22.3
119.08582	60.7
121.10116	18.9
123.08104	5.2
128.06171	5.5
129.07051	23.1
131.08617	18.6
133.10139	38.2
135.11688	14.3
139.39488	3.8
143.08559	19.2
145.10110	28.1
147.11670	61.2
149.13249	8.4
157.10048	6.5
159.11700	17.0
161.09550	6.7
161.13239	31.3
171.11644	29.8
173.13258	8.8
175.14842	10.5
185.13300	6.2
189.12712	7.7
207.13791	19.3
231.21117	6.0
241.19525	24.3
259.20535	57.9
279.15912	14.2
281.17447	61.7
297.16702	4.4
298.24042	4.0
303.81763	4.2
315.23141	8.1
333.24216	41.9
447.32550	7.9
539.37274	66.3
540.36981	4.5
557.38202	22.2
611.27240	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	753.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	1.6
69.77679	4.7
71.04963	1.6
81.07059	1.7
85.02905	3.0
94.06571	7.8
95.04959	1.2
95.08630	1.3
97.02934	1.4
101.26320	1.0
106.06564	4.7
107.07368	1.1
108.08150	1.3
110.06050	1.5
115.03888	1.6
120.08110	2.4
121.02876	2.0
122.06026	32.6
124.07558	1.6
132.08025	1.0
134.06012	3.1
136.07570	31.6
137.05984	1.5
139.03889	1.5
140.07079	2.6
146.05989	7.2
146.09665	1.1
148.07550	13.1
150.09102	2.4
150.91289	1.0
152.07042	5.6
153.01836	12.9
164.07065	60.8
166.08629	36.1
172.03967	2.9
174.05522	5.5
176.07080	15.4
190.04976	4.0
192.06532	2.5
197.10815	1.0
204.06578	3.4
208.09761	1.5
209.10681	1.9
210.09787	1.0
210.11488	5.7
211.12335	4.3
215.11923	1.2
221.10684	1.6
222.11449	1.2
222.30371	0.9
223.12178	5.9
224.09369	1.8
224.13043	2.5
225.10274	2.5
225.13817	2.6
226.07088	3.9
227.11778	2.6
235.08669	3.0
235.12242	5.0
236.09447	2.5
236.13179	1.3
237.10216	11.7
237.13834	4.4
238.10968	14.8
239.11790	21.0
240.12480	1.3
243.11316	1.6
248.09424	4.2
249.10168	7.2
250.10963	5.8
251.11800	20.1
252.12517	5.7
253.13292	9.3
261.10089	1.9
262.10989	1.8
263.11768	16.7
264.08832	1.8
264.12570	3.2
265.09766	5.9
265.13351	33.3
266.10538	1.5
266.14053	2.6
267.11331	6.5
269.12790	5.8
271.11066	1.2
271.14441	5.1
275.11618	1.2
277.09738	5.9
277.13306	2.8
278.10336	4.8
279.11270	100.0
280.11938	7.8
281.12891	2.8
282.13733	1.5
283.11041	2.0
283.14456	6.2
284.11603	2.5
284.15134	1.1
287.05463	10.0
287.13919	4.5
291.11249	7.1
292.11792	1.8
293.12854	11.7
294.13300	2.3
295.10861	11.1
295.14127	2.2
296.11450	5.6
297.12302	48.7
298.13019	7.6
299.13959	2.8
303.13382	1.2
305.03003	1.4
305.14972	3.1
309.12332	40.7
310.13086	21.2
311.13864	65.8
312.14670	11.6
313.11972	1.7
313.15475	5.5
319.10767	10.4
321.12357	9.9
322.12466	1.0
323.10245	2.0
323.16144	2.1
324.10999	2.0
325.11932	1.5
327.13403	1.8
337.11798	98.8
338.12579	21.5
339.13382	45.9
339.17480	2.0
340.14172	1.5
347.12326	2.1
348.17001	1.2
355.12970	2.7
356.13791	1.5
358.15240	1.7
369.14407	8.6
370.15237	2.8
371.12497	1.2
371.16107	14.8
372.16940	1.5
373.13916	7.0
374.14914	1.7
375.15604	1.1
376.16376	1.4
388.16287	1.3
398.15079	2.4
399.11438	4.9
399.16223	2.2
400.16592	3.8
401.13293	5.7
416.15741	2.3
417.12610	1.5
418.17471	1.9
421.34769	1.4
432.19186	1.3
434.17090	2.5
440.15967	1.4
450.20337	1.4
452.21976	3.1
457.36700	1.2
458.17105	8.3
459.17783	1.6
476.18063	11.1
477.17743	1.2
494.18103	11.1
495.19830	3.1
520.20691	2.4
536.20752	1.4
538.21832	93.9
539.22046	3.1
564.10870	2.0
564.19739	38.4
565.20752	1.4
566.21252	2.3
582.20453	2.9
596.22430	8.5
617.25903	1.8
659.26593	2.1
661.24866	3.8
677.27960	1.8
685.25043	7.9
703.25867	12.0
721.27124	25.1
753.29016	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	752.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.2
55.05503	9.3
57.03444	12.0
57.06828	2.2
57.07079	26.0
67.05508	17.8
69.03414	1.8
69.07069	9.1
71.01350	1.6
71.08633	22.1
79.05484	14.9
81.03419	50.0
81.07051	21.6
83.04955	5.6
83.08620	21.6
85.02876	2.6
85.10172	11.6
91.05477	14.7
93.07067	9.6
93.07536	1.6
94.25917	1.6
95.04974	19.7
95.08609	18.2
97.02911	2.5
97.06526	2.3
97.10165	4.4
98.20798	3.1
103.21152	1.8
105.07025	8.7
107.04934	4.6
107.08585	3.6
109.06524	1.6
109.10133	9.0
111.08081	5.7
112.97588	1.7
117.07015	3.0
119.08578	9.7
121.06505	1.5
121.10123	5.7
123.04429	3.1
123.08041	1.7
123.11703	4.1
129.06999	5.9
131.08546	8.4
133.10144	3.5
141.01805	1.8
145.10201	2.3
147.08086	2.4
147.11656	4.4
149.09610	3.4
157.10072	7.2
163.11241	2.0
165.12781	1.6
169.10080	1.6
171.11739	1.6
175.11220	4.5
186.11264	1.9
193.12251	20.1
211.13278	2.7
235.13347	2.5
239.23772	3.7
249.14801	1.9
267.15915	100.0
271.13403	2.1
285.17038	2.1
289.14328	3.3
304.26273	3.2
309.17212	3.6
313.27377	96.0
333.13321	1.6
389.15732	1.8
443.18942	3.6
505.38885	75.9
547.39624	4.2
654.12854	2.0
664.63562	1.9
752.48370	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
53.18274	2.0
55.01868	10.3
55.05508	12.3
57.03444	2.6
57.08129	2.0
57.45282	2.0
64.76824	1.7
67.05169	3.2
67.05505	32.6
67.98983	1.9
69.07068	18.0
69.98698	5.4
69.99115	5.8
71.04967	2.2
79.05493	33.6
81.03410	5.6
81.07063	34.3
83.04980	6.5
83.08612	4.4
91.05482	37.7
92.03745	2.1
93.07043	26.9
95.01333	3.5
95.04419	2.0
95.04966	10.7
95.08604	17.8
97.06541	24.7
97.10122	2.4
105.07031	47.3
107.04941	11.6
107.08598	11.8
109.06519	2.8
109.10148	4.7
111.08083	2.9
117.06992	9.5
119.08576	25.2
121.06499	2.9
121.10134	4.1
123.08066	3.6
129.06999	4.7
131.08595	10.8
133.10132	23.1
135.11655	4.6
141.06998	2.2
143.08559	4.6
145.10089	9.7
147.11671	14.4
149.09593	4.9
149.13326	2.6
159.08153	1.9
159.11664	9.2
161.13194	5.0
163.11186	4.1
168.96983	2.1
171.11673	10.4
173.13187	2.1
177.12772	3.7
179.14326	5.4
181.10269	2.0
187.11069	2.5
189.12701	3.9
198.87056	1.8
203.03654	2.0
207.13829	3.1
241.19223	2.2
257.19000	3.2
275.20047	49.0
279.15933	4.8
281.17471	32.1
284.06592	2.2
293.20844	2.8
349.23709	19.4
555.36798	100.0
556.37061	2.8
597.94922	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00599	1.7
69.03456	2.1
69.07069	3.1
70.06588	2.0
71.58216	2.7
81.07067	3.3
89.62156	1.7
94.06570	12.8
97.06454	1.9
108.08104	3.2
116.05000	2.1
122.06023	67.4
122.06908	4.0
134.06013	2.7
137.05977	3.4
139.03987	2.0
140.07047	3.6
144.04410	4.0
146.05983	11.3
148.07555	3.6
153.01924	2.1
160.07498	2.0
162.05501	3.8
162.99197	3.8
172.03922	21.1
174.05519	16.0
176.07062	15.5
190.05003	6.3
191.05690	4.2
199.08682	2.2
204.06549	31.1
205.00140	2.6
206.08220	6.7
211.08627	2.6
213.10248	4.4
215.11743	2.6
225.10335	5.0
226.07019	10.5
227.11897	2.7
235.08557	1.9
237.10114	2.5
239.08038	1.9
239.11752	3.4
241.09798	4.5
241.13609	1.9
243.11282	20.6
249.10298	3.0
251.07973	2.5
251.11943	3.4
255.11188	2.4
265.09732	3.8
266.10385	2.1
267.11340	5.2
269.09409	2.7
271.10751	2.9
279.11163	2.7
283.10660	5.8
285.12350	22.1
287.10217	5.2
295.10889	4.1
299.10168	2.5
301.11740	3.8
302.12900	3.1
303.13382	41.6
304.14209	3.4
309.12119	2.5
311.14349	2.1
313.11972	4.9
316.10995	2.4
316.14487	2.3
318.15958	5.1
319.16769	3.2
327.13528	6.2
328.14645	2.1
330.12344	6.8
331.13113	2.3
343.13278	2.4
344.13977	6.4
345.14859	4.0
346.15530	9.1
347.12302	2.8
347.16138	4.3
348.16989	3.0
355.13022	3.9
357.14667	2.3
360.17093	10.4
370.11725	2.6
371.12897	5.3
372.13400	10.6
373.14108	8.6
374.14990	9.3
378.18027	3.9
381.10925	3.7
386.15048	14.8
387.15704	15.6
388.16592	12.6
399.11835	37.1
402.14117	4.2
403.15222	3.2
404.16013	7.0
405.16821	6.6
406.17679	9.7
414.14474	10.0
415.15268	26.0
416.16077	34.7
417.12924	8.2
418.17981	3.5
428.16000	5.3
429.16721	2.7
430.17642	6.9
431.14282	17.7
432.15359	3.7
433.16275	7.4
434.17065	7.1
446.17087	11.7
447.17896	5.2
451.04263	1.9
456.15323	5.7
457.16504	4.1
460.15103	3.3
474.16599	41.9
475.17352	21.3
476.18085	7.0
482.76239	2.4
506.19119	7.1
507.19888	3.7
511.06210	2.7
597.23224	2.6
615.24188	14.4
639.23938	3.3
657.25403	9.2
659.23199	2.4
683.23651	9.6
701.24469	100.0
702.24725	2.1
718.13403	2.9
733.27612	4.5
751.24176	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	751.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96575	3.9
58.99854	1.9
71.57432	3.4
77.00902	5.5
81.03445	2.2
85.02904	2.1
89.03911	4.9
95.01932	3.4
97.02896	3.0
98.97598	4.0
101.00914	5.9
103.02500	1.9
105.00356	2.1
113.00893	2.0
116.98636	4.3
117.03349	9.4
119.01913	44.5
131.01929	15.9
133.03488	5.2
135.04420	5.9
137.03011	9.7
143.01906	22.3
145.02711	38.2
147.01349	4.1
147.04439	7.4
149.02966	4.2
149.05937	3.5
151.04547	2.7
155.01869	16.0
157.03467	14.1
158.02478	1.6
158.99696	1.9
161.02946	44.2
163.03876	44.8
163.07565	3.0
167.01956	6.7
169.03458	6.3
171.05042	6.7
173.02956	40.4
175.04494	10.4
177.05469	100.0
179.01924	4.5
184.04607	3.4
185.01259	3.6
185.02951	34.4
187.04608	8.9
189.00861	3.0
189.02449	1.9
193.03552	2.9
194.04320	2.2
196.04605	2.3
197.02979	14.7
199.04453	2.2
201.00806	3.6
201.02493	8.7
203.02206	3.9
203.03963	18.0
207.12363	2.0
208.04585	1.6
209.03035	4.3
211.04549	3.6
215.03937	10.5
217.03546	2.2
217.05507	3.5
219.01753	4.4
220.02368	2.3
221.02974	56.3
221.05038	5.8
223.04572	3.7
227.04037	10.6
234.03709	4.0
235.04489	16.7
237.02827	3.7
238.03278	4.7
239.02133	2.4
239.04109	20.7
244.02209	2.4
244.04514	2.8
245.02744	2.8
245.05067	72.1
246.05452	3.3
247.02957	3.2
249.06194	2.5
253.05615	4.9
257.02863	1.9
257.05243	13.6
259.04578	31.6
259.07135	1.9
262.03299	14.4
263.03955	6.9
263.06400	8.6
271.04205	3.9
271.06873	10.2
273.06134	3.8
275.03674	2.3
275.06259	6.9
277.05637	39.7
280.04141	2.7
281.05090	7.7
283.06738	2.2
285.06006	3.0
287.03961	2.5
289.03983	3.5
291.03778	3.8
291.07272	5.1
293.07315	2.7
295.06573	52.0
296.06906	2.8
299.03714	3.3
300.07233	2.4
305.07571	4.4
307.06503	2.6
309.08170	5.7
313.07761	11.1
315.03409	2.3
317.04803	3.6
318.08200	3.6
319.06616	4.0
321.04721	2.6
321.08057	3.9
323.06183	10.8
325.07693	4.0
331.06274	2.1
335.04831	3.0
335.08731	2.3
336.08740	1.9
337.07596	7.4
339.05917	2.1
345.04401	2.3
347.06152	3.9
349.06451	3.8
351.11435	2.6
353.06882	2.4
363.05396	8.2
365.06503	8.2
377.05765	3.3
379.08435	9.9
381.06717	13.0
383.07861	8.1
391.04922	11.8
395.06519	4.2
397.10022	8.6
406.09753	2.5
407.08295	4.0
409.05841	15.0
427.07156	24.6
445.08334	3.2
451.07291	24.6
461.09283	2.9
463.07123	5.9
469.08264	75.8
470.08453	5.2
481.08197	9.7
487.08939	3.7
492.09982	2.3
499.09210	9.1
511.09296	7.4
529.10535	10.5
535.09814	1.9
545.13074	5.2
553.10425	19.2
571.11438	30.2
589.12158	5.5
640.30048	2.1
733.16199	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	749.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
71.19904	2.9
79.05468	1.6
81.07059	2.4
87.87132	0.9
93.41737	0.9
94.06571	1.9
100.08014	0.8
100.11241	2.3
104.78327	0.9
122.06029	4.3
124.07609	1.3
136.07576	3.2
137.06027	1.0
146.09668	1.7
164.07042	3.2
172.03915	2.5
178.08662	1.1
195.42375	1.0
204.06552	7.2
206.08102	1.6
211.08701	1.2
221.10580	1.4
222.11426	6.9
223.12292	1.8
226.07120	1.2
235.08685	1.9
235.12357	2.2
236.09183	8.3
236.13086	1.1
237.10184	3.5
237.13850	1.5
238.10884	2.4
239.11891	1.5
247.08711	3.9
247.12282	1.0
248.09401	7.6
249.10214	19.6
250.11008	7.6
251.11830	7.6
253.09853	1.2
261.10242	6.3
262.10934	6.3
263.11792	88.1
264.12512	8.6
265.09698	2.8
265.13358	7.1
267.11267	2.3
275.08078	1.4
276.09116	1.5
277.09732	18.2
277.12769	0.7
278.10349	2.4
279.11267	33.3
280.11923	2.7
281.12823	9.9
282.13574	9.7
289.09805	2.8
290.10440	6.0
291.11252	31.2
292.12131	6.8
293.09329	1.7
293.12869	4.1
295.10797	15.8
295.14212	2.3
296.11771	1.2
297.12366	6.6
298.13165	1.2
303.07706	2.9
307.10812	11.1
308.11353	2.7
309.12311	51.8
310.13107	3.1
311.13794	2.9
312.23816	1.0
314.01590	1.1
317.08960	1.4
318.10095	5.1
319.10648	2.5
322.28839	1.0
323.13873	44.1
324.14551	2.3
325.12115	1.1
328.27881	1.1
335.10217	4.0
336.11029	35.8
337.11786	20.0
338.12790	4.4
339.13284	1.1
341.15005	12.0
345.46484	1.1
349.11969	1.7
351.13251	4.5
355.12936	1.4
356.13763	1.5
367.12903	29.1
368.13672	38.2
369.14435	100.0
370.15210	10.9
399.15503	6.7
401.16983	2.6
431.14554	5.3
458.17242	2.0
459.17789	1.5
490.19653	8.5
491.20609	4.5
510.22324	1.6
522.22278	2.7
550.21936	7.6
562.18030	3.4
564.11841	1.3
564.19788	11.9
594.20782	60.2
595.21582	1.7
596.22418	22.7
626.23419	45.5
685.24670	4.6
717.28174	6.1
748.57422	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00444	1.3
54.07810	1.3
55.05505	3.7
57.07070	29.0
60.08155	6.3
67.05498	2.1
69.62921	3.2
69.63330	4.8
71.08633	23.6
73.06558	12.7
79.05495	1.4
81.07057	1.6
83.08614	3.7
83.22015	1.3
85.09669	1.3
85.10181	29.7
86.09706	22.3
87.04464	14.8
89.06028	100.0
91.68867	1.5
95.08582	1.3
98.20781	3.0
98.98478	2.2
99.11748	2.5
104.10756	1.4
107.07072	6.8
117.09141	10.8
117.09889	1.8
125.00002	13.9
130.08665	2.6
131.07019	3.8
133.08604	46.5
141.16362	4.0
161.11774	3.1
168.35104	1.4
175.09671	2.2
177.11206	16.5
184.07339	66.3
185.18987	8.8
186.46957	1.3
221.13844	2.3
229.21606	5.4
232.94186	1.5
273.24316	4.4
327.63852	1.4
335.97141	1.3
351.85416	1.3
572.57324	1.6
712.44922	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.4
55.01861	1.9
57.62307	2.0
58.21171	1.5
58.78492	1.6
67.05497	5.2
69.03426	5.5
69.56004	13.8
70.06590	2.6
71.05000	8.3
79.05502	10.7
81.07067	6.0
85.02885	2.3
91.05476	13.2
93.07056	6.6
95.04977	6.7
95.08601	5.0
97.02888	100.0
97.06546	4.5
98.20779	3.8
99.04452	8.4
99.25993	1.9
105.07026	21.1
107.04944	15.2
107.08599	7.5
109.02840	1.7
109.06512	2.9
109.10154	9.7
111.04455	4.7
115.05407	2.4
117.07022	6.6
119.08577	22.0
121.06492	5.4
123.04446	3.3
123.08076	2.1
125.06014	2.5
127.03918	2.7
128.06253	5.0
129.06993	5.1
131.08580	5.5
133.06514	4.0
133.10118	20.6
135.08083	5.9
137.05992	8.7
137.09607	19.7
139.03915	2.2
141.07014	2.9
143.08566	16.0
145.06514	3.8
145.10143	4.7
146.07262	6.8
147.08037	26.6
149.06001	4.0
151.07559	6.2
153.01756	2.8
159.08064	3.5
159.11670	2.1
161.06015	6.6
161.09616	94.2
162.10054	2.0
162.11748	1.8
163.07520	5.0
163.11211	2.2
165.09105	25.6
167.07166	2.1
170.96454	1.7
171.08076	4.9
173.09650	4.8
175.07565	2.4
177.05556	3.3
179.10692	5.8
181.10049	1.8
182.86026	1.6
183.11717	2.4
187.11227	4.8
189.09108	17.0
193.10158	2.1
195.11876	1.9
197.09663	2.9
207.10162	42.3
211.11203	4.7
215.10689	5.3
219.58575	1.8
225.11301	4.6
229.12309	7.7
239.10661	6.3
243.10185	2.6
247.13242	4.3
257.11737	18.9
259.13312	3.0
261.11249	2.2
266.53329	1.7
267.12350	19.0
275.12753	23.0
279.12402	2.0
283.06052	2.7
285.11197	6.5
285.13486	6.1
293.14023	2.8
303.12280	13.7
309.36920	1.8
321.13422	8.2
332.14255	1.8
346.10446	1.7
353.73859	1.7
363.14462	2.9
399.16476	17.6
694.71930	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.6
53.97620	0.4
55.01874	0.4
55.05511	1.0
57.03426	1.3
61.02925	4.9
63.74686	0.4
64.55782	0.4
67.01127	0.5
67.05511	4.3
69.03439	2.9
69.07063	1.8
71.04986	0.6
71.58618	0.6
73.02924	3.4
79.05497	3.8
81.03419	1.4
81.07060	5.8
82.91062	0.4
83.08652	0.9
85.02901	5.1
86.09718	0.5
91.03956	2.8
91.05473	3.1
93.07043	6.2
95.04995	0.6
95.08607	2.2
97.02893	3.7
97.06528	0.7
97.10155	0.5
99.04489	0.6
101.02390	1.7
105.07044	2.4
107.08596	3.0
109.02859	1.0
109.10168	1.0
111.08079	0.7
117.07031	0.8
119.08606	1.6
121.10186	1.8
125.00002	0.4
127.03921	1.3
128.69241	0.4
131.08595	1.1
133.10149	1.9
135.11688	0.8
145.10091	0.9
147.11702	0.9
149.13293	2.0
155.10074	0.5
159.11740	1.2
171.11716	0.4
184.07376	2.1
185.04227	1.0
188.48070	0.4
201.03769	0.7
235.13210	1.0
243.08360	2.9
245.96167	0.5
301.09018	1.3
313.09052	0.5
373.11331	0.6
387.91663	0.4
453.20963	10.6
465.20932	0.8
521.92316	0.5
525.23291	1.8
535.28882	5.9
539.24890	0.5
747.42896	100.0
748.43140	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	747.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83406	1.8
53.37805	1.6
57.07074	1.8
61.02925	5.8
65.03954	2.1
67.05508	5.4
69.03428	3.5
70.46674	1.9
70.47019	7.0
73.02903	2.4
79.05503	4.5
81.03426	5.8
81.07064	4.7
85.02920	6.1
91.05489	5.0
93.07043	3.8
95.04966	2.2
95.08630	2.9
97.02909	5.5
105.07038	3.6
109.10130	2.0
111.08203	2.0
119.08484	2.4
121.10101	2.2
127.03914	2.2
170.51860	1.8
234.19829	2.1
243.08501	3.0
251.12547	3.3
461.07581	2.1
469.20508	6.1
519.29742	3.6
524.47406	1.8
694.54004	2.1
747.42865	100.0
748.43750	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01849	0.5
55.05497	1.9
57.03438	2.0
61.02929	6.5
67.05506	5.1
69.03431	4.0
69.07069	1.4
71.01334	0.7
71.04984	0.6
71.59365	0.4
73.02917	4.8
79.05495	5.0
81.03426	3.6
81.07061	5.4
83.08627	0.9
85.02907	6.8
91.03954	3.2
91.05482	3.2
93.07045	4.2
94.66529	0.4
95.04975	1.0
95.08618	3.7
97.02892	5.4
97.06524	0.6
97.71221	0.4
99.04470	1.5
101.02392	1.9
103.03949	0.5
105.07050	1.8
105.21687	0.4
107.08605	2.3
109.02884	0.8
109.06527	0.4
109.10172	1.3
111.08028	0.4
117.07059	0.5
119.08615	1.7
121.10168	1.3
121.20921	0.4
123.11700	0.6
127.03952	1.1
129.06972	0.4
131.08585	1.0
133.10112	0.9
135.11737	0.9
140.04012	0.3
145.10103	0.4
147.11728	1.0
157.10170	0.6
173.13232	0.5
184.07402	0.8
185.04254	0.5
243.08484	1.3
251.12564	1.2
269.12405	0.5
335.25845	0.5
464.93555	0.4
469.20517	3.8
519.29279	9.3
520.30121	0.5
747.42889	100.0
748.43164	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	747.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05751	0.5
52.44146	0.5
53.03941	1.0
55.05505	1.4
57.03431	1.5
61.02920	5.3
67.05500	3.4
69.03434	3.2
69.07056	0.8
70.07909	0.6
70.76032	1.7
71.04994	0.8
73.02910	3.9
73.06577	0.5
79.05495	2.6
81.03412	3.1
81.07063	5.5
85.02900	6.2
91.03960	2.2
91.05482	3.5
93.07049	1.7
95.04968	1.3
95.08601	2.9
97.02887	4.2
99.04421	0.7
101.02390	2.0
105.07047	1.9
106.09354	0.5
107.08605	1.2
109.02837	0.9
109.10175	1.0
119.08582	1.3
121.10148	1.3
127.03893	1.3
129.07079	0.8
131.08597	1.2
133.10132	1.5
147.11697	1.1
152.35030	0.5
183.12997	0.6
185.04123	0.6
193.12294	0.9
216.57675	0.6
243.08482	1.8
433.83807	0.6
469.20453	7.5
519.29321	4.4
747.42896	100.0
748.42981	3.7
752.01910	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83406	1.8
53.37805	1.6
57.07074	1.8
61.02925	5.8
65.03954	2.1
67.05508	5.4
69.03428	3.5
70.46674	1.9
70.47019	7.0
73.02903	2.4
79.05503	4.5
81.03426	5.8
81.07064	4.7
85.02920	6.1
91.05489	5.0
93.07043	3.8
95.04966	2.2
95.08630	2.9
97.02909	5.5
105.07038	3.6
109.10130	2.0
111.08203	2.0
119.08484	2.4
121.10101	2.2
127.03914	2.2
170.51860	1.8
234.19829	2.1
243.08501	3.0
251.12547	3.3
461.07581	2.1
469.20508	6.1
519.29742	3.6
524.47406	1.8
694.54004	2.1
747.42865	100.0
748.43750	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3772
Annotation	Pandicine
Peak:m/z	Relative Intensity
53.03946	1.2
55.01886	0.9
55.05499	1.0
57.03432	1.6
57.29126	0.6
61.02928	4.0
62.32568	0.6
65.77408	0.8
67.05509	4.7
69.03426	3.6
69.07082	1.9
71.04990	2.0
71.59072	0.8
71.59541	0.8
73.02917	4.0
73.81220	0.6
74.61015	0.6
78.95007	0.7
79.05495	3.9
81.03419	8.0
81.07054	4.2
82.06607	1.5
83.08615	2.2
85.02906	5.2
85.06512	0.8
91.03964	2.2
91.05478	6.2
93.07051	4.4
95.04966	2.5
95.08620	2.5
97.02905	4.6
97.06545	1.5
99.04455	1.2
101.02379	1.2
105.07056	3.9
107.04937	1.9
107.08578	2.1
109.02894	1.1
109.06487	0.8
111.08112	1.3
115.03992	0.8
117.07008	1.0
119.08573	3.0
121.06525	0.8
121.10155	3.1
123.04416	1.5
125.09599	1.1
127.03925	3.0
129.07001	1.4
131.04961	0.7
131.08571	2.6
133.10110	1.6
137.05949	2.0
139.03902	2.2
139.11237	1.3
145.10191	1.1
147.04414	1.4
147.11711	1.9
149.09579	3.3
151.07526	0.8
153.01942	1.0
157.10159	1.8
167.07028	1.9
175.11198	1.2
177.05441	1.0
189.05569	1.9
193.12285	3.3
198.05914	0.7
211.13293	0.9
243.08496	2.4
251.12610	0.8
267.15912	2.0
267.58533	0.7
269.13556	1.2
283.15244	4.0
287.05551	1.4
299.09244	0.9
319.83093	0.8
339.17792	0.7
425.18262	0.8
431.69461	0.7
443.18826	7.5
469.20581	2.2
487.21631	7.0
501.23001	12.0
585.31549	0.7
703.35242	2.3
715.41010	1.1
729.36401	2.0
747.37689	100.0
748.38519	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.155
Annotation	Catechin-(4alpha->8)-epigallocatechin-3-O-gallate
Peak:m/z	Relative Intensity
53.00293	0.8
53.03943	0.6
54.30040	0.5
54.88173	0.5
55.01881	1.3
57.13766	0.5
64.58549	0.5
65.03951	2.3
67.05476	0.7
68.99786	6.2
71.27240	0.9
79.05486	0.9
81.03432	2.9
85.02892	0.7
89.03921	1.2
91.05489	0.6
93.03400	1.2
95.04955	1.6
99.04443	1.3
103.05432	0.8
105.03395	1.2
107.04967	3.8
109.02853	2.9
111.00802	4.1
111.04436	3.9
117.03393	0.7
119.04948	1.0
121.02837	2.8
123.04424	25.4
125.02386	0.9
127.03913	81.6
128.04292	1.0
131.04919	1.8
135.04410	31.4
137.02310	2.1
139.03897	100.0
140.04234	1.3
141.06961	0.8
143.03365	0.9
145.02835	0.9
145.06470	1.3
147.04373	3.4
149.02306	3.0
149.05960	2.5
151.03893	16.4
153.01823	10.1
153.02986	1.1
153.07021	0.9
155.04883	1.7
157.06505	0.9
159.04436	2.5
161.02336	0.7
161.05968	2.0
163.03908	38.7
164.04355	0.8
165.05504	1.3
167.03410	5.7
168.03741	0.5
169.06451	1.8
173.05992	4.0
175.03879	4.1
177.05484	5.2
179.03407	6.2
181.04945	1.7
181.06454	0.8
183.04367	1.6
185.05984	1.3
187.03870	5.0
187.07414	0.7
189.05412	2.4
191.03375	7.7
191.07065	0.9
193.04977	3.7
197.05945	3.8
199.07831	0.6
201.05453	8.0
203.03416	9.6
203.06992	1.1
205.04942	6.2
209.06041	0.6
211.03793	0.7
213.05376	2.5
215.03337	1.5
215.07005	1.5
217.04919	1.2
219.06548	0.8
223.02328	1.2
225.05431	1.2
227.07120	1.0
229.04973	8.7
231.02757	0.9
231.06453	1.6
233.04416	3.9
237.05418	1.2
241.04912	1.4
243.06548	3.1
245.04454	7.1
247.06020	47.2
248.06302	1.1
251.05405	0.7
253.04778	0.8
255.06544	2.6
257.04425	8.0
259.05988	7.7
261.07553	1.4
263.05493	2.0
265.04938	1.3
267.06696	0.7
269.04425	3.3
271.05994	15.3
273.07553	1.1
275.05457	9.1
283.06006	13.9
284.06448	0.8
287.05487	20.4
288.05869	1.0
289.07056	13.7
295.05942	1.1
297.07724	0.8
299.05463	4.4
301.07034	18.5
304.05328	0.6
307.08075	1.2
311.05399	0.6
313.06992	0.9
323.05368	2.4
376.16376	0.5
389.06253	0.7
407.07584	9.1
409.09201	18.8
425.08640	9.6
427.09946	2.5
433.09119	1.0
437.08789	0.9
451.10129	1.8
459.08923	0.7
473.48593	0.6
579.11084	0.9
595.10272	1.8
731.72388	0.6
760.76013	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.0
65.03934	1.4
67.01844	0.8
67.05495	1.0
68.99781	8.0
69.03429	0.5
70.04143	2.0
70.08411	0.4
73.69054	0.5
77.03927	0.6
79.01843	1.1
79.82932	0.4
81.03412	4.3
83.04950	0.4
91.05481	1.0
95.04944	2.5
97.02908	0.5
98.20811	0.7
99.04468	1.1
105.03388	1.9
107.04939	0.8
109.02867	4.7
110.02162	0.5
111.00797	8.2
111.04462	1.9
113.90936	0.5
115.05450	0.7
116.44837	0.5
118.63514	0.4
119.04912	1.6
120.84283	0.4
121.02863	1.2
123.04424	78.7
124.04688	0.6
125.02363	0.8
127.03911	100.0
128.04251	0.8
129.06935	0.5
131.04958	1.0
133.02850	2.8
133.06464	0.8
135.04456	2.3
137.02345	0.8
137.05864	0.5
139.03899	66.5
140.04283	0.6
143.03377	1.2
143.04890	0.4
145.06444	0.8
147.03247	0.6
147.04408	12.9
149.02339	3.0
149.06030	0.6
151.03899	34.5
152.04292	0.6
153.01819	11.4
155.03397	1.9
155.04848	0.5
157.06464	1.4
159.04398	2.1
161.05937	2.4
163.03909	6.8
165.01877	0.5
165.05492	5.3
167.03416	5.8
169.06520	0.6
171.04451	1.7
173.05978	1.1
174.26749	0.4
175.02347	0.5
175.03902	17.8
177.05450	5.0
179.03392	38.8
181.04965	1.3
183.04486	0.7
185.05977	1.8
187.03931	1.4
189.05475	4.7
191.01654	0.9
191.03381	13.4
191.05078	0.9
193.04965	5.3
197.06064	0.9
199.03986	2.1
200.04581	0.8
201.05458	6.3
203.03386	25.8
205.04903	2.2
207.06551	0.5
211.03958	0.5
213.05458	6.6
214.30161	0.4
215.03371	1.2
216.09435	0.4
217.04951	4.2
219.06470	1.0
221.04401	0.9
225.05434	0.9
227.03300	1.3
229.04944	6.4
231.06456	3.5
233.04442	5.8
241.04921	2.9
243.06427	0.5
245.04454	12.2
247.05908	1.3
251.05437	2.1
253.05063	1.1
257.04446	13.8
258.05301	0.7
259.05984	4.6
263.05511	11.8
269.04446	7.9
271.05988	4.0
273.07568	6.8
275.05487	20.9
277.07108	0.9
281.04492	0.8
285.07452	0.6
287.05493	58.6
288.05869	1.2
291.08560	3.3
297.07751	0.5
297.91293	0.5
299.05493	18.2
303.08844	0.8
305.06546	8.7
307.05942	0.7
311.05496	2.1
313.06973	0.6
315.08569	0.6
317.06528	13.4
325.06985	0.8
329.06821	0.6
357.33133	0.5
379.08151	1.1
391.08078	3.3
407.07645	1.0
409.09186	8.3
421.09247	1.2
425.08679	17.9
427.10461	0.9
433.09036	1.2
437.08871	1.0
443.09760	3.4
451.10141	1.1
559.12115	0.5
579.11340	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.6
57.03432	1.9
61.02920	5.4
67.05516	7.2
69.03442	2.7
69.17542	1.2
71.04993	1.3
71.58635	1.1
73.02921	3.6
79.05494	5.8
81.03418	2.0
81.07076	7.6
85.02914	4.4
91.03973	3.3
91.05499	4.2
93.07054	5.3
95.04961	1.2
95.08591	6.6
97.02899	5.7
97.06535	1.3
99.04505	1.2
101.02409	1.5
103.04042	1.2
105.07039	2.9
107.08601	4.1
109.10169	2.1
115.24976	1.3
119.08608	1.5
121.10142	2.8
127.03966	1.5
135.11703	3.6
145.10191	1.3
160.82707	1.2
163.11183	2.1
179.90895	1.1
180.82344	1.2
227.12825	1.8
243.08528	1.4
249.10985	10.4
292.37473	1.3
335.26193	1.4
467.19144	6.3
519.29254	10.6
745.41302	100.0
746.41479	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	746.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.4
55.05508	30.2
57.03439	16.6
57.07074	9.3
57.63329	2.1
61.02919	5.4
67.05502	28.7
69.03416	6.0
69.07062	29.7
69.33517	3.3
69.33915	20.1
71.05001	4.4
71.08625	3.9
79.05491	22.9
81.03423	48.6
81.07053	39.9
83.04987	10.6
83.08619	32.0
85.02906	17.6
85.06561	2.7
91.05479	26.6
93.07042	19.3
95.04971	23.0
95.08604	29.0
97.02910	3.4
97.06558	5.7
97.10162	12.6
102.42580	2.0
105.07036	14.4
107.04954	4.2
107.08578	11.4
109.06532	4.0
109.10129	11.9
111.04448	3.2
111.08080	7.7
111.11769	1.9
119.08560	13.6
121.06483	2.4
121.10119	12.2
123.11691	6.2
125.09631	2.8
129.07013	7.6
131.08562	8.3
133.10143	8.4
135.11731	6.0
135.61862	2.0
147.08081	2.4
147.11626	11.2
149.09637	2.7
157.10104	8.0
165.12776	3.1
175.11159	11.6
193.12239	39.6
211.13280	62.2
265.25394	2.8
267.15878	19.0
285.16946	73.0
339.28925	74.7
339.32959	3.9
385.13953	2.2
486.00922	2.1
531.40350	13.5
549.41467	100.0
550.41382	4.3
747.40857	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	746.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27476	3.4
53.97356	3.8
55.05503	24.8
57.03434	15.1
57.07053	8.3
58.79908	4.3
67.05505	40.4
69.03459	4.4
69.07069	36.8
69.25745	49.3
71.08642	6.3
79.05499	27.6
81.03417	49.4
81.07053	38.6
83.04967	13.0
83.08618	44.0
85.02913	22.0
85.10191	5.5
91.05473	25.0
93.07034	20.6
95.04980	20.8
95.08611	24.0
97.02875	6.7
97.06515	7.6
97.10154	12.4
105.07001	22.7
107.04935	5.6
107.08566	7.8
109.10143	10.7
111.08083	11.1
119.08580	17.3
121.10142	17.6
129.07005	7.1
131.08600	9.8
133.06441	4.2
133.10135	8.9
135.11719	9.4
140.76799	3.7
147.11694	14.4
149.09676	6.4
149.13190	6.1
157.10075	11.7
175.11191	12.1
190.33147	4.5
193.12239	45.7
202.87909	4.4
211.13278	58.4
247.27817	3.9
267.15955	13.2
285.16965	71.0
339.28949	86.0
404.24741	5.1
486.05014	4.2
531.40320	10.5
549.41559	100.0
746.42242	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	746.5623
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	63.7
60.06543	1.6
67.05495	1.9
69.07059	7.8
69.57667	13.4
71.08635	47.8
73.06548	10.4
83.08617	3.7
85.10184	34.4
87.04475	14.9
89.06031	100.0
96.68464	1.6
97.10143	3.4
98.21606	1.8
99.11733	6.6
107.07054	4.6
111.11707	4.8
111.84361	1.7
113.13268	4.6
117.09124	10.3
125.13288	2.3
127.14841	4.3
130.08652	2.3
131.07013	5.7
133.08604	64.1
161.11520	2.5
175.09659	2.6
177.09831	3.0
177.11234	22.7
184.07326	4.3
221.13892	6.4
271.26169	2.3
315.29037	4.6
547.33246	2.1
605.07166	2.1
729.53094	2.8
746.55200	3.2
750.25830	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.5
67.05470	0.2
68.99790	1.1
70.06385	0.9
70.06786	0.6
79.01862	0.3
85.44511	0.3
93.03402	0.3
95.04923	0.4
98.21471	0.5
107.01340	0.3
110.58796	0.3
111.00844	0.3
111.04466	0.4
121.02872	0.5
123.04430	5.0
125.02341	0.7
127.03950	1.7
131.04883	0.3
135.32407	0.3
137.02321	0.3
139.03905	7.0
143.03381	0.8
145.06442	0.5
147.04384	1.8
149.02325	1.8
150.03079	0.3
151.03937	0.5
153.00560	0.5
153.01826	10.2
159.04431	0.7
163.03870	0.7
165.01839	0.5
165.05467	0.3
167.03392	0.3
167.42546	0.3
171.04364	0.3
173.06023	0.5
175.03915	0.5
177.01837	0.9
177.05460	1.3
179.03441	1.0
183.04454	0.7
187.03929	0.8
189.05470	0.6
190.86125	0.3
191.03394	1.8
199.03886	0.4
201.05438	1.6
205.05017	1.6
210.44736	0.3
211.03891	0.4
213.05479	0.5
215.03358	1.1
217.04877	0.4
219.02925	1.6
219.06616	0.3
225.05487	0.3
227.03404	0.8
229.04967	2.5
233.04395	0.5
234.05212	0.3
237.03978	0.6
239.03352	0.4
241.04938	0.8
243.02872	0.4
243.06480	0.3
245.04486	0.9
247.06013	0.9
255.02905	0.7
257.04419	2.2
259.06128	0.4
261.03918	2.9
263.05508	0.5
269.04446	1.0
271.06073	1.1
273.03995	2.7
273.07294	0.5
275.05466	1.3
285.03931	2.5
287.05505	1.6
297.03897	1.0
299.05457	0.6
303.04996	100.0
304.05420	3.0
315.04984	9.3
327.04947	0.6
405.05963	0.4
423.07010	2.0
435.06985	0.4
441.08176	21.8
442.08905	1.3
442.13858	0.3
449.09100	0.5
453.08151	1.5
511.81351	0.3
557.11292	0.5
575.11731	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22483	0.9
54.91150	0.9
55.05503	1.5
57.03428	3.1
61.02927	4.3
61.32650	1.0
62.49347	1.0
66.76149	0.9
67.05500	5.4
69.03426	3.8
70.12758	3.5
71.04985	5.4
72.04496	0.9
73.02921	3.6
79.05495	4.1
81.03426	5.0
81.07059	5.5
85.02896	5.6
85.63391	1.0
91.03976	3.2
91.05488	6.1
93.07063	2.6
95.04988	2.3
95.08614	2.5
97.02892	4.5
101.02405	1.7
102.81229	0.9
105.07033	3.1
107.08592	3.3
109.10143	1.6
111.08086	1.3
119.08611	1.9
121.10146	2.9
127.03903	2.8
129.07024	1.8
131.08586	1.7
133.10126	2.5
139.03951	2.9
140.60153	1.1
147.11774	1.0
149.09651	1.9
151.11224	1.1
153.01816	1.2
157.10181	1.1
163.03943	2.4
165.05452	1.0
184.07423	1.0
193.12436	1.2
225.14960	1.2
243.08458	2.8
267.15839	1.4
283.15228	3.4
287.05496	1.3
303.05002	10.4
323.18347	1.3
339.17917	1.5
441.08224	1.8
485.23511	12.1
501.23215	10.4
505.75412	1.0
627.09436	0.9
745.39801	100.0
746.39825	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	745.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.8
54.32238	0.7
55.05515	1.4
57.03441	2.1
57.72337	0.8
61.02928	3.5
67.05502	6.4
69.03434	3.0
69.07068	2.0
73.02930	2.9
79.05486	5.6
81.03423	1.3
81.07053	6.5
83.08634	0.9
85.02915	3.4
91.03964	1.7
91.05489	2.2
93.07062	4.1
95.08620	4.9
97.02912	3.5
97.06562	1.0
99.04436	1.1
101.02396	1.4
105.07046	1.6
107.05010	1.0
107.08598	3.2
109.10166	1.6
110.23462	0.7
117.07047	1.0
119.08570	1.3
121.10152	2.4
127.03938	0.8
131.08635	1.2
134.30095	1.0
135.11671	3.7
145.10165	2.7
147.11711	0.8
149.13269	1.1
163.11179	5.2
165.20848	0.7
227.12875	2.6
243.08513	2.6
249.10973	7.4
260.33939	0.8
303.05124	1.2
305.13486	1.2
319.10461	0.9
467.18784	9.9
519.29364	4.7
745.41272	100.0
746.41010	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	744.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.2
53.08465	2.3
55.01860	12.4
55.05508	34.6
56.96555	3.3
57.03440	20.4
57.07051	3.9
61.02904	2.7
61.66843	2.5
65.03929	4.9
67.05500	91.5
69.03427	8.7
69.07062	36.9
71.01331	5.5
71.04984	7.6
71.07352	2.7
71.58961	2.8
71.59346	4.0
73.02905	3.1
79.05064	5.4
79.05491	78.4
81.03412	12.7
81.07055	79.5
83.04963	17.5
83.08635	13.3
85.02892	11.4
85.06548	6.8
86.09710	8.2
91.04968	4.2
91.05479	49.1
93.07040	90.6
95.04948	11.9
95.08604	24.6
97.02888	8.5
97.06528	28.8
97.10159	16.9
99.08129	6.9
105.07029	32.0
107.04932	7.8
107.08588	56.8
109.06475	6.8
109.10155	13.1
111.08071	5.6
117.07021	18.0
119.08588	29.5
121.06464	4.9
121.10155	21.3
123.08091	2.8
125.00004	3.1
125.09614	8.1
127.03886	3.1
129.07008	6.8
131.08575	16.0
133.10114	20.1
135.11694	64.7
137.09627	7.5
141.07018	3.2
143.08629	5.8
145.10127	27.1
147.11671	12.1
149.02370	3.6
149.09627	14.5
149.13275	8.6
153.12692	3.1
155.08490	4.3
157.10097	4.6
159.11681	17.1
161.13255	4.3
163.11198	18.1
169.10141	2.7
171.11682	3.3
173.13179	4.5
177.12717	4.3
179.14311	3.5
181.12221	16.9
183.11650	3.3
184.07335	22.8
189.11151	3.5
191.48463	2.7
193.05086	3.9
195.13728	4.1
199.13254	5.5
212.40492	2.8
227.12773	15.2
228.01741	3.3
239.17986	4.0
253.14380	4.0
255.15892	88.8
257.19061	13.9
269.17410	13.3
274.54202	2.8
275.20004	34.1
285.10117	11.5
293.21140	4.2
303.05020	11.9
349.23624	21.2
355.94489	3.0
409.25681	3.6
425.25229	8.3
435.27475	27.7
441.08200	4.8
449.28970	100.0
529.35187	49.0
547.35822	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	744.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.2
55.05518	15.9
55.71587	2.5
57.03434	9.0
65.03935	3.6
67.05505	98.4
67.25481	2.3
69.07063	14.5
69.38689	2.2
69.38972	23.5
71.04995	29.4
79.05495	33.0
81.03426	3.7
81.07055	40.8
83.04999	4.1
83.08627	8.9
85.02908	3.3
85.06536	3.5
91.05492	28.0
93.07042	43.5
95.04968	5.2
95.08609	32.4
97.02915	2.9
97.06517	5.1
97.10177	2.0
105.07039	13.8
107.08600	24.4
109.10157	60.6
111.08092	4.6
117.07001	4.0
119.08580	20.6
120.17669	2.3
121.10137	18.8
123.11674	3.9
131.08571	8.1
133.10155	11.2
135.11681	15.0
137.09677	10.6
139.11203	3.0
145.10133	9.1
147.11676	4.6
149.13275	2.9
157.09991	2.9
159.11761	4.6
173.11769	9.0
173.13184	5.1
208.05464	2.4
223.68268	2.6
255.15921	5.5
287.18546	24.2
317.24670	3.2
335.25848	22.5
471.34647	5.5
489.35770	100.0
490.35727	4.0
503.37268	5.3
515.37616	16.2
522.81415	2.3
547.39886	85.5
548.40295	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	744.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.2
53.08465	2.3
55.01860	12.4
55.05508	34.6
56.96555	3.3
57.03440	20.4
57.07051	3.9
61.02904	2.7
61.66843	2.5
65.03929	4.9
67.05500	91.5
69.03427	8.7
69.07062	36.9
71.01331	5.5
71.04984	7.6
71.07352	2.7
71.58961	2.8
71.59346	4.0
73.02905	3.1
79.05064	5.4
79.05491	78.4
81.03412	12.7
81.07055	79.5
83.04963	17.5
83.08635	13.3
85.02892	11.4
85.06548	6.8
86.09710	8.2
91.04968	4.2
91.05479	49.1
93.07040	90.6
95.04948	11.9
95.08604	24.6
97.02888	8.5
97.06528	28.8
97.10159	16.9
99.08129	6.9
105.07029	32.0
107.04932	7.8
107.08588	56.8
109.06475	6.8
109.10155	13.1
111.08071	5.6
117.07021	18.0
119.08588	29.5
121.06464	4.9
121.10155	21.3
123.08091	2.8
125.00004	3.1
125.09614	8.1
127.03886	3.1
129.07008	6.8
131.08575	16.0
133.10114	20.1
135.11694	64.7
137.09627	7.5
141.07018	3.2
143.08629	5.8
145.10127	27.1
147.11671	12.1
149.02370	3.6
149.09627	14.5
149.13275	8.6
153.12692	3.1
155.08490	4.3
157.10097	4.6
159.11681	17.1
161.13255	4.3
163.11198	18.1
169.10141	2.7
171.11682	3.3
173.13179	4.5
177.12717	4.3
179.14311	3.5
181.12221	16.9
183.11650	3.3
184.07335	22.8
189.11151	3.5
191.48463	2.7
193.05086	3.9
195.13728	4.1
199.13254	5.5
212.40492	2.8
227.12773	15.2
228.01741	3.3
239.17986	4.0
253.14380	4.0
255.15892	88.8
257.19061	13.9
269.17410	13.3
274.54202	2.8
275.20004	34.1
285.10117	11.5
293.21140	4.2
303.05020	11.9
349.23624	21.2
355.94489	3.0
409.25681	3.6
425.25229	8.3
435.27475	27.7
441.08200	4.8
449.28970	100.0
529.35187	49.0
547.35822	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	744.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.01875	4.5
55.05502	0.8
57.03430	3.3
61.02918	2.9
65.03961	0.8
67.05511	1.2
68.99790	5.5
69.03427	9.8
69.99387	2.8
69.99798	1.5
70.89907	0.7
71.04957	0.8
73.02920	2.3
79.05487	5.4
81.03419	12.4
85.02902	24.0
85.03427	1.2
86.78001	0.6
87.00833	8.3
87.04440	0.7
91.03950	0.8
91.05479	4.8
93.07037	2.0
95.04958	3.7
95.08602	3.2
97.02886	10.5
99.04453	4.7
103.03960	1.3
103.05460	2.8
105.01864	8.7
105.07030	10.0
107.04953	51.6
107.08612	1.7
109.02871	9.3
109.06475	1.4
109.61518	0.6
114.20161	0.6
115.05447	3.1
117.01778	1.1
117.07021	3.0
118.04118	1.3
119.04977	0.9
120.36706	0.6
121.06496	5.8
123.04437	5.7
124.05191	1.4
125.05978	2.4
127.02971	0.9
127.03919	16.9
129.01790	2.0
131.04948	4.1
131.08574	1.7
132.05695	0.9
133.06483	25.4
135.04465	1.5
135.08047	27.4
137.05978	32.3
139.07547	3.0
145.04980	7.3
145.06422	4.3
147.02902	1.7
147.04401	4.1
147.08049	2.9
148.05191	31.2
149.05960	2.3
149.09628	1.0
151.03903	1.7
151.07536	11.6
152.04678	1.5
153.05418	2.5
157.06477	0.7
159.02905	5.8
159.04213	1.1
159.08072	5.2
161.05980	29.7
162.06776	2.8
163.03902	15.1
163.07538	69.8
164.07892	1.3
165.09071	3.4
167.07034	20.9
169.06413	0.7
172.05174	3.2
173.06006	1.2
175.07524	5.0
177.05406	1.0
177.09081	4.1
178.06244	62.2
179.06952	2.3
181.08635	6.3
183.08128	0.8
185.05994	2.1
187.07518	6.6
189.03928	1.7
189.09119	2.2
190.06326	4.1
191.07042	1.4
193.08604	36.4
197.05914	0.7
197.09724	0.8
199.07550	2.0
201.09125	2.3
202.06325	1.5
203.07077	1.3
205.08595	11.1
207.10153	2.8
211.07454	1.5
214.06226	2.2
215.06992	0.8
217.08597	2.5
225.09036	2.1
227.07079	1.3
228.07698	0.8
229.08659	3.4
231.05107	3.7
235.07468	0.8
235.09674	1.8
239.07048	1.0
241.08467	1.0
243.10202	2.0
245.07996	0.9
247.09708	1.4
248.08186	0.7
249.09175	0.9
253.08669	4.3
255.06508	0.8
255.10040	0.9
256.07300	1.1
263.07095	1.1
269.08075	1.6
270.08859	2.1
271.09662	2.8
278.09494	1.2
285.11209	3.0
287.05707	0.7
289.10797	1.0
295.09753	1.2
297.11414	0.9
298.12769	0.7
303.05020	2.0
303.12274	6.4
309.11160	1.4
317.13821	100.0
318.14258	2.2
327.12076	3.2
329.13708	4.0
341.13821	23.8
353.13867	2.0
359.14850	27.9
365.13834	1.8
375.11819	1.0
383.14902	18.8
384.15106	1.0
389.13864	0.9
407.15060	7.0
425.16025	6.2
443.16708	1.3
461.18286	1.0
529.17017	4.1
547.18152	3.5
565.19452	0.9
589.86023	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11535	2.3
55.01863	7.1
55.05505	11.3
57.07068	5.0
67.05500	28.3
69.07063	24.2
71.01349	25.7
73.02903	8.5
75.04471	6.8
79.05502	13.9
81.07058	46.4
83.08622	10.7
85.02907	50.2
91.05476	15.2
93.07044	34.2
95.01329	10.9
95.08609	100.0
97.10153	7.5
99.00805	2.7
101.02381	49.4
105.07036	44.5
107.08591	62.6
109.10153	66.3
111.08079	6.0
113.02358	5.7
117.07013	5.3
119.08584	60.3
121.09306	5.0
121.10135	47.1
122.47033	2.2
123.11698	20.1
127.03915	64.9
131.08583	17.9
133.10123	54.5
134.67271	2.4
135.11688	33.2
137.12297	2.4
137.13251	9.9
141.01842	21.8
143.08559	6.4
145.04964	71.7
145.10117	36.0
147.11681	39.7
149.13257	25.0
155.08554	3.3
156.09435	3.1
157.10176	12.6
159.02853	9.0
159.11690	37.4
161.13242	28.5
163.14806	19.4
169.10114	4.7
171.11696	12.0
173.13232	22.6
175.14812	25.3
177.16365	27.4
183.11705	5.1
185.13260	8.5
187.14828	24.5
189.16371	33.5
191.17914	14.4
195.17349	2.7
197.13275	4.1
199.14839	13.0
201.16379	54.0
203.17950	40.3
205.15887	4.3
205.19542	7.0
211.14819	2.7
213.16434	13.1
215.17944	25.6
217.19518	32.1
219.17465	3.8
221.18874	2.6
225.12839	2.5
225.16388	4.1
227.17958	15.6
229.19479	19.5
241.19627	12.1
243.21042	11.0
255.21008	9.3
257.22641	10.1
267.21054	5.1
269.22549	8.5
271.24243	4.7
281.22543	4.1
283.24200	4.4
295.24188	3.3
297.25745	4.8
311.27509	3.9
335.27310	2.7
365.31921	11.8
402.30182	2.5
405.35175	53.9
407.36758	3.3
423.36246	40.7
581.38324	22.1
585.62311	2.8
588.47363	2.8
599.39392	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	743.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.6
57.03438	2.4
61.02922	4.5
64.32782	1.2
67.05512	6.0
69.03436	4.0
69.91824	6.9
73.02917	4.4
73.66051	1.1
79.05505	4.4
81.07069	6.6
85.02902	4.6
91.03960	2.7
91.05478	4.0
93.07043	3.6
94.31486	1.2
95.08618	3.7
97.02898	4.7
101.02402	2.0
105.07049	1.8
107.08605	1.7
119.08617	2.8
121.10191	1.7
135.11714	1.2
144.21458	1.2
243.08336	1.2
301.92242	1.2
333.62973	1.2
398.35806	1.3
433.80383	1.3
465.21075	7.6
519.29388	4.8
540.59595	1.2
594.36249	1.2
717.12482	1.3
743.43378	100.0
744.43823	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	742.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	5.7
54.41304	3.6
55.01873	5.0
55.05510	24.3
57.03447	19.8
57.07070	4.2
67.05506	97.4
69.03426	4.7
69.07071	29.3
70.83659	11.3
71.04982	7.9
71.08636	5.7
79.05491	74.2
81.03425	20.1
81.07055	100.0
83.04971	12.2
83.08631	19.2
85.06527	6.8
86.09726	6.1
91.05478	73.3
93.06478	5.3
93.07046	97.1
95.04967	16.5
95.08053	5.4
95.08612	58.7
97.02897	3.7
97.06557	17.2
97.07130	3.5
97.10156	7.3
99.08107	4.9
105.07034	76.5
107.08587	49.6
109.06515	4.3
109.10139	17.3
111.08069	8.6
113.09649	4.3
117.07020	23.8
117.07728	3.6
119.08569	59.0
121.10159	37.2
123.08043	4.3
123.11684	8.2
124.99988	3.7
128.06158	4.5
129.06967	12.9
130.99043	3.6
131.08575	33.4
133.10114	42.5
135.11694	20.6
143.08580	10.8
145.10130	19.4
145.56131	3.7
147.11679	44.3
149.09544	4.4
149.13263	40.4
153.19241	3.3
157.10094	10.3
159.11717	30.5
161.13286	28.9
163.11201	3.5
171.11723	10.6
173.13272	10.5
175.14848	11.6
177.12743	8.7
184.07355	13.4
185.13333	7.5
193.12231	4.9
195.13855	9.0
199.14851	5.8
231.20987	8.7
241.19504	35.5
259.20563	83.8
261.22174	7.9
267.15903	30.9
269.17477	89.6
315.23151	8.3
333.24234	60.2
335.25858	18.8
435.32510	5.4
453.33456	5.2
527.37378	65.6
531.35010	3.9
545.38214	24.3
580.36182	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	742.473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.9
55.01859	7.6
55.05508	25.4
55.31099	4.9
57.03425	21.5
57.07100	5.7
58.18485	4.6
58.46055	4.2
61.02910	5.8
67.05180	6.8
67.05507	91.1
67.21549	4.3
69.03397	8.3
69.07082	22.9
71.04982	9.4
71.59058	9.5
74.56708	5.8
79.05496	55.4
81.03412	52.1
81.06588	5.7
81.07056	100.0
83.04951	8.8
83.05399	4.3
83.08635	24.6
85.02911	10.3
85.06528	5.5
85.21812	4.7
91.05480	68.3
91.23792	5.1
93.07049	74.0
95.04967	18.4
95.08610	49.5
97.02877	6.6
97.06509	6.5
97.10155	9.3
105.07024	58.4
107.04930	5.4
107.08593	36.1
109.06532	4.8
109.10138	19.1
117.07018	17.5
119.08595	40.9
121.10207	25.2
123.11694	9.7
129.06967	9.4
131.08580	29.1
133.10153	39.5
135.11714	24.8
136.59186	4.6
137.09630	5.5
143.08514	8.0
145.10095	14.7
147.11705	22.5
149.09631	5.9
149.13234	13.5
157.10092	10.5
159.11687	15.4
161.13245	13.4
165.12762	5.4
165.23257	5.0
171.11684	7.4
173.13344	8.9
175.14864	9.9
184.07339	11.4
185.13087	5.5
193.12244	15.1
195.13757	9.2
211.13275	6.6
241.19566	11.6
259.20544	35.5
261.22034	15.9
267.15897	52.9
269.17474	40.1
285.17007	10.1
301.21570	5.3
308.29517	5.6
333.24310	47.6
335.25800	50.7
435.32541	5.7
453.33463	8.5
527.37305	55.0
545.38617	27.7
580.35724	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	742.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.4
55.05510	16.5
57.03444	15.8
57.07077	2.4
59.69805	2.0
61.02926	4.1
61.47038	2.0
64.71844	2.3
65.03935	2.7
67.05506	58.8
67.70398	2.0
69.03423	3.3
69.07072	25.0
69.45123	20.5
71.04993	6.1
79.05490	33.2
79.05920	3.5
81.03407	2.6
81.06579	4.9
81.07059	100.0
83.04977	6.7
83.08620	9.3
83.19555	2.0
85.02893	3.6
85.06563	6.2
91.05480	31.5
92.63354	2.5
93.07050	37.8
95.04971	8.0
95.08609	45.5
97.06544	8.9
99.08054	4.7
105.07030	41.2
107.08598	27.9
109.06519	8.8
109.10151	13.9
111.08115	3.0
117.07039	4.5
119.08576	34.5
121.10138	27.1
123.08130	6.5
123.11708	32.7
127.07545	3.3
128.43657	2.3
131.08592	7.8
133.10150	8.0
135.11693	9.8
137.13293	3.0
145.10127	4.9
147.11682	63.9
149.13306	6.7
157.10196	3.7
159.11726	6.2
165.12755	26.0
173.13336	3.2
187.14891	3.1
193.12238	2.9
211.13329	2.4
229.14366	6.5
243.21181	7.7
261.22208	18.8
267.15930	61.0
279.23215	3.5
285.16974	89.8
317.24857	5.6
335.25781	76.8
336.26508	2.6
527.37054	3.4
545.38391	65.2
545.46771	3.6
546.38312	2.9
612.50708	2.6
743.45404	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	742.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.05515	16.5
56.16654	1.3
57.03434	11.0
57.07108	1.4
59.62313	1.6
61.02927	2.3
65.03926	2.2
66.12882	1.2
67.05504	40.4
69.03423	4.4
69.07063	9.2
70.84708	3.8
71.04994	2.8
73.02891	1.8
79.05056	2.5
79.05494	30.0
81.03419	40.2
81.07057	38.9
83.04985	9.9
83.08619	20.6
85.02906	14.2
91.05478	26.1
93.07038	26.8
94.77092	1.2
95.04959	18.7
95.08604	21.6
96.00170	1.6
97.02901	2.9
97.06537	3.2
97.10140	3.7
98.41968	1.6
101.60404	1.4
105.07037	15.4
107.04964	3.3
107.08592	15.7
109.06509	3.0
109.10148	6.7
111.04434	1.6
111.08092	6.5
113.05964	2.1
117.07020	4.2
119.08578	17.5
121.06459	1.7
121.10143	14.4
123.08093	2.6
123.11726	3.7
125.09651	1.4
129.07010	5.4
129.56186	1.3
131.08578	11.1
133.10123	9.3
135.11737	6.8
137.09566	1.5
142.07790	2.1
145.10149	4.0
147.08070	2.9
147.11688	11.0
149.09604	2.7
149.13205	2.0
157.10156	8.4
159.11685	3.8
161.13327	1.6
165.12851	1.9
173.13197	3.4
175.11192	9.8
183.11626	1.2
187.14780	1.7
193.12241	34.8
211.13297	51.7
221.32904	1.4
222.44832	1.3
241.87970	1.2
243.97369	1.7
261.22165	7.2
267.15912	11.0
285.16968	46.6
317.24710	3.4
335.25815	55.2
346.63733	1.4
527.37036	5.8
545.38354	100.0
546.38507	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	742.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.9
55.01865	3.1
55.05511	26.9
57.03443	18.1
57.07075	3.4
61.02917	4.0
65.03930	3.5
67.05504	62.9
69.03421	4.0
69.07069	22.7
69.38117	15.6
69.38538	4.3
71.04974	5.4
79.05493	51.3
79.05961	2.5
81.03421	68.4
81.07056	64.3
83.04984	18.9
83.08615	27.1
85.02905	27.0
85.06549	3.5
91.04910	2.9
91.05480	44.3
93.07041	50.9
95.04977	29.5
95.08607	43.3
97.02895	5.7
97.06509	5.3
97.10180	6.3
98.21535	4.6
99.08115	2.6
105.07031	30.7
107.04930	7.1
107.08596	25.4
107.76683	1.8
109.06527	4.5
109.10149	14.9
111.08063	14.1
113.05981	3.0
117.07014	4.6
119.08598	24.6
121.10152	24.2
123.08052	3.3
123.11723	5.5
125.09616	2.3
129.06999	11.5
131.08563	20.4
133.06494	3.4
133.10143	18.6
135.11682	8.3
137.09584	2.6
140.87534	1.9
142.07767	2.8
145.10121	7.1
147.08107	3.0
147.11681	19.5
149.09616	6.4
149.13237	3.0
153.29109	1.9
157.10123	11.8
159.11693	4.0
161.13208	4.2
163.14795	4.3
165.12717	3.5
173.13277	3.6
175.11156	18.8
193.12248	48.2
211.13292	92.0
243.21106	4.7
261.22266	10.6
267.15942	15.7
285.16956	88.4
317.24930	2.9
335.25787	86.3
363.25775	1.8
435.32693	2.2
453.33612	3.8
527.37427	10.4
545.38379	100.0
546.38684	2.7
677.32587	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
55.01865	2.0
55.05302	1.4
55.05517	15.7
57.03434	11.7
61.10961	1.3
62.35789	1.4
65.03928	1.7
65.22537	1.3
67.05505	43.1
69.03429	3.4
69.07067	10.4
70.84264	4.5
71.05005	2.0
73.02905	1.4
79.05493	30.8
81.03423	32.6
81.07050	38.9
83.04979	9.3
83.08611	15.4
85.02903	12.7
85.06558	2.8
91.05475	22.3
93.07047	28.2
95.04971	16.1
95.08607	31.4
97.02885	2.0
97.06530	2.8
97.10173	5.2
105.07034	16.4
107.04976	2.2
107.08598	16.4
109.06523	3.0
109.10141	9.5
111.08090	5.2
117.07027	4.5
119.08585	15.6
121.10152	14.4
123.11674	3.0
125.09613	2.2
129.07024	6.3
131.08569	13.5
133.06554	2.3
133.10153	8.4
135.11703	6.5
140.33696	1.7
142.07715	1.9
145.10135	4.9
147.11671	9.8
149.09645	3.0
149.13242	1.9
157.10063	7.8
159.11697	2.5
161.13274	1.6
163.11237	2.2
163.14868	1.9
173.13261	2.7
175.11206	6.5
175.14931	1.7
193.12245	27.6
211.13278	40.7
227.12685	1.7
249.05888	1.5
261.22061	5.8
267.15869	7.5
285.16983	37.4
335.25812	64.4
336.25949	2.6
338.00861	1.8
453.33603	2.0
461.84354	1.7
527.37292	7.0
545.38379	100.0
546.38501	3.1
626.45520	2.0
695.65796	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.4
55.01865	3.8
55.05513	22.8
57.03439	18.8
58.65393	2.3
61.02929	5.2
65.03951	2.4
67.05505	62.5
69.03425	5.9
69.07073	16.0
70.84158	4.7
70.84502	3.5
71.04977	6.6
79.05490	48.1
81.03421	49.5
81.07054	65.1
83.04977	11.5
83.08615	23.8
85.02903	22.7
85.06546	3.4
85.45039	2.4
91.05480	38.8
93.07044	44.8
95.04960	27.5
95.08603	36.7
97.06557	6.8
97.10171	7.9
105.07018	29.5
107.04950	5.1
107.08598	25.2
109.06544	5.3
109.10155	19.5
111.08080	10.6
115.05434	3.1
117.07015	5.5
119.08574	26.1
121.10144	25.6
123.08060	5.2
123.11720	6.8
125.09641	3.6
125.75300	2.3
129.07001	8.4
131.08600	17.7
133.10136	16.7
135.11687	10.3
145.10085	6.3
147.08076	2.5
147.11679	15.3
149.09633	6.5
149.13322	4.2
157.10176	8.7
158.28545	2.4
159.11717	4.5
165.12747	3.5
173.13292	3.8
175.11220	13.4
193.12267	41.8
211.13286	53.7
211.64001	2.4
212.13420	2.8
243.21147	3.3
261.22076	15.4
267.16046	17.6
285.16946	48.5
317.24829	3.4
335.25800	93.6
527.37610	14.6
545.38324	100.0
561.90570	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	741.2228
Annotation	Kaempferol-3-Glucoside-2''-Rhamnoside-7-Rhamnoside
Peak:m/z	Relative Intensity
55.01840	0.3
55.44831	0.2
57.03435	1.4
61.02913	0.4
65.57248	0.2
68.88132	0.2
68.99788	0.3
69.03402	0.8
70.97829	0.5
71.04987	7.7
75.04461	0.5
81.03399	0.3
83.04961	0.3
85.02900	11.2
87.13307	0.2
88.33157	0.3
95.05061	0.2
97.02871	0.9
99.04453	0.2
100.72625	0.2
109.02872	0.2
111.00797	0.5
111.04448	0.3
116.94901	0.2
121.02853	1.3
121.99781	0.2
127.03889	0.7
129.05472	2.3
133.02817	0.3
137.02293	0.4
145.04915	0.3
147.06512	0.7
153.01808	1.9
157.06445	0.3
158.09154	0.2
165.01799	0.9
183.02902	0.6
213.05496	0.5
231.06541	0.4
232.47881	0.2
241.04901	0.4
258.05133	0.5
259.05984	0.2
287.05475	100.0
288.05841	2.4
329.06760	0.3
336.36884	0.2
433.11279	15.3
434.11526	0.5
502.19937	0.2
564.10168	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.9
54.38759	0.9
55.05509	12.9
57.03444	10.3
57.07054	1.0
59.05005	1.1
59.99445	0.8
61.02917	2.2
67.05177	1.3
67.05510	20.3
69.03436	7.6
69.07066	6.6
70.11390	4.4
71.05011	5.3
73.02904	0.9
73.91692	1.0
79.05067	1.3
79.05497	21.7
81.03419	50.8
81.07056	19.2
83.04984	4.6
83.08617	13.0
85.02903	7.1
85.06553	1.7
87.00833	1.0
91.05482	17.4
93.07043	16.7
95.04975	20.1
95.08602	10.7
97.02895	4.3
97.06535	4.2
97.10163	13.8
99.04446	2.0
103.05477	1.8
105.07034	13.8
107.04964	15.9
107.08587	12.6
109.02879	3.5
109.06523	13.7
109.10184	6.1
111.04430	2.4
111.08067	3.7
115.05445	2.1
117.07005	4.9
119.04929	2.2
119.08588	9.9
121.06505	13.6
121.10147	9.9
123.04422	3.6
123.08092	4.5
123.11658	1.1
125.09637	12.0
127.03924	3.7
129.06992	9.5
131.04922	3.3
131.08569	13.0
132.05696	1.4
133.06491	4.7
133.10106	5.0
135.04420	0.9
135.08058	6.8
135.11713	1.4
137.05945	2.1
137.09592	2.5
139.11154	2.2
141.06961	1.3
141.89725	0.8
142.07784	2.5
143.08559	2.8
145.05101	1.0
145.06483	6.2
145.10139	5.4
147.04408	2.9
147.08095	4.9
147.11711	7.0
149.05928	1.4
149.09578	4.8
151.07474	1.2
151.11140	1.4
153.01843	1.8
153.09122	3.4
155.08511	1.4
155.10623	1.4
157.10144	7.2
159.08081	1.6
159.11714	1.9
161.06010	1.7
161.09578	2.7
163.11169	4.4
165.12743	1.7
167.07063	4.4
167.08472	1.8
167.10608	1.2
171.08060	1.1
171.11681	3.0
173.09579	1.5
173.13246	2.2
175.11206	5.3
177.05421	1.2
177.12650	1.5
181.10146	1.3
183.11540	1.1
185.09712	1.5
185.11757	1.4
185.13297	1.4
187.11220	1.1
189.11172	5.9
189.12643	1.0
191.07019	2.3
191.14291	3.3
193.12247	13.0
195.11696	1.2
197.13364	1.2
199.11229	2.0
205.12206	1.3
209.08066	1.1
209.13397	1.0
210.08942	1.7
211.11392	1.0
211.13330	1.7
215.14351	2.0
217.12274	1.5
219.13774	10.0
223.13139	1.3
225.12820	1.2
227.12700	3.0
229.05022	1.7
229.14276	2.1
231.13835	1.2
233.15347	3.6
235.13316	0.9
237.12584	1.8
242.05769	1.7
243.13849	1.5
249.14914	2.0
255.13820	2.2
257.04446	17.3
258.05228	3.7
259.15442	8.7
267.15906	39.5
268.16147	1.1
273.14606	5.6
275.16644	1.0
285.04025	1.9
286.04672	9.4
287.05521	6.0
293.17468	7.7
297.03915	1.4
299.09073	2.1
300.09476	1.1
317.16177	1.0
327.05127	1.5
331.08090	1.2
339.23340	2.5
341.06656	1.3
349.21478	4.1
357.24512	1.2
367.22711	14.4
385.23715	25.1
403.24826	10.1
433.25800	1.1
441.26434	6.6
447.06693	1.2
451.26730	3.0
459.27429	100.0
460.27618	2.9
465.11844	1.0
477.12180	6.2
477.28485	84.0
478.28732	3.3
491.30014	7.9
495.12863	57.1
495.29294	6.5
501.28192	2.7
509.30859	3.5
567.29340	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07237	0.1
53.03934	0.2
55.01863	0.2
57.03436	1.2
61.02911	0.5
66.16793	0.1
68.99811	0.3
69.03413	0.7
69.27179	0.7
69.27612	0.8
71.04991	7.7
73.02901	0.5
75.04478	0.3
81.03406	0.4
83.04958	0.4
85.02902	11.1
87.04485	0.3
91.03925	0.2
97.02864	0.9
98.21576	0.2
99.04479	0.2
103.96053	0.1
106.47952	0.1
109.02861	0.3
111.00807	0.3
111.04432	0.3
121.02851	1.3
127.03901	0.5
129.05470	2.4
133.02885	0.3
137.02336	0.4
145.04944	0.4
147.04422	0.2
147.06471	0.7
153.01833	1.8
153.20233	0.1
157.06557	0.2
165.01883	1.1
183.02888	0.5
185.06001	0.2
213.05432	0.7
213.07286	0.2
221.08006	0.1
231.06549	0.3
241.04993	0.5
258.05142	0.7
259.05969	0.3
287.05481	100.0
288.05835	2.5
322.61325	0.1
329.06461	0.2
347.09537	0.1
433.11313	13.5
434.11688	0.3
449.10638	0.1
510.76938	0.1
526.45935	0.1
543.70862	0.1
595.15576	0.2
731.18134	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	741.223
Annotation	Kaempferol-3-Glucoside-2''-Rhamnoside-7-Rhamnoside
Peak:m/z	Relative Intensity
57.03428	1.1
61.02913	1.2
61.34591	0.4
65.73573	0.4
66.01113	0.4
69.94870	0.4
70.70948	0.7
70.71312	0.8
71.04987	7.7
73.02934	0.7
75.04469	0.5
83.04993	0.5
85.02904	9.1
87.04462	0.5
91.03941	0.9
97.02899	1.0
101.88895	0.4
111.00814	0.8
121.02863	1.1
127.03918	0.9
129.05501	2.2
133.02782	0.4
147.04395	0.4
147.06525	0.9
153.01788	2.3
165.01785	0.9
177.90503	0.4
183.02927	0.7
209.42177	0.4
213.05560	0.8
241.04907	0.5
258.05322	0.7
267.13702	0.4
287.05490	100.0
288.05811	1.5
293.69324	0.5
301.07068	2.7
319.04422	0.7
320.04922	0.6
422.79800	0.5
433.11276	11.1
433.90286	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.01866	1.8
55.39457	0.7
58.40122	0.7
65.03937	2.9
67.01878	1.1
67.05482	1.1
68.99785	8.7
69.03411	1.1
69.28135	7.6
71.04983	2.4
77.03929	1.1
80.66017	0.6
81.03415	4.3
83.04980	1.0
85.02904	3.3
91.05473	8.1
95.04968	3.3
99.04436	1.7
102.00899	0.8
103.05444	0.8
105.03372	3.2
107.04952	1.1
109.02872	5.3
111.00788	8.6
111.04457	2.6
115.05489	0.7
119.04942	15.5
121.02850	1.7
121.06448	0.9
123.04426	100.0
124.04730	1.0
127.03913	95.9
129.05453	0.8
133.02899	1.6
133.06557	0.8
135.04422	3.2
137.02322	1.4
137.06020	0.9
139.03899	84.4
140.04227	0.9
140.07013	0.7
144.33211	0.8
145.06570	0.9
147.04402	61.3
148.04730	0.9
149.02371	3.0
151.03905	41.2
153.01810	8.0
155.03360	3.9
157.06523	1.2
159.04405	1.2
161.05974	2.1
163.03920	6.8
164.58588	0.8
165.05496	2.4
167.03419	6.2
169.06496	0.9
171.04454	1.4
173.06046	1.4
175.03906	16.8
177.05490	4.6
179.03392	36.2
181.04982	1.8
185.06003	2.7
187.03903	1.6
189.05484	5.1
191.03404	13.0
193.04955	4.2
197.05937	2.0
199.03900	2.7
201.05435	6.6
203.03397	25.5
203.07051	1.4
204.03860	0.7
205.04997	2.6
211.04015	0.9
213.05479	6.7
215.03371	1.1
217.04929	5.7
219.06560	1.6
229.04968	4.7
231.06537	4.2
233.04356	6.4
241.05013	3.1
245.04460	11.5
247.05989	0.9
251.05576	2.0
253.05089	0.8
255.06644	1.2
257.04425	12.8
259.06006	3.7
263.05505	11.7
269.04456	8.5
271.06070	4.0
273.07571	11.6
275.05463	18.8
277.07001	1.6
281.04504	1.2
283.05823	1.0
285.07526	1.2
287.05493	61.9
288.06018	1.3
299.05493	22.7
303.04999	2.7
303.08450	0.7
305.06595	9.9
311.05664	2.0
315.04996	1.2
317.06586	14.1
317.10068	0.9
345.06244	1.4
391.08249	2.7
409.09210	9.1
421.09521	1.7
425.08627	13.7
427.10410	0.9
433.09863	0.9
443.09604	5.0
451.10486	1.5
455.09796	1.1
559.11865	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.6
55.05505	13.2
63.45261	2.7
67.05501	37.9
69.07077	18.9
76.87782	3.2
79.05488	23.7
81.03418	6.3
81.07049	45.0
83.04968	8.0
83.08611	8.3
91.05477	27.9
93.07037	25.1
94.02219	2.8
95.01318	3.6
95.04971	8.5
95.08617	18.9
97.02918	3.0
97.06527	16.9
104.59993	3.2
105.07034	30.8
107.04951	7.8
107.08569	17.2
109.10166	9.0
117.07013	8.3
119.08596	19.7
121.10135	11.0
129.07013	4.9
131.00455	3.0
131.08565	11.6
133.10086	20.8
135.11690	6.1
136.07495	2.9
145.10120	8.9
147.11697	6.8
149.09630	4.4
149.13271	12.9
157.10123	3.7
159.11723	9.0
161.13239	3.7
169.65494	3.3
171.11671	3.0
173.13330	4.6
179.14261	4.2
189.35478	3.3
257.19174	3.3
269.17523	34.1
275.20114	36.2
335.26062	4.0
349.23676	15.0
543.36761	100.0
544.37408	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	741.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	0.8
53.03955	0.8
55.01879	1.7
58.26951	0.4
65.03927	2.6
67.01871	0.4
67.05505	1.0
68.99791	6.4
69.03426	0.5
69.68382	2.7
70.06604	0.6
71.04991	0.4
76.33779	0.4
79.05489	0.9
81.03412	3.1
85.02923	0.5
87.05610	0.6
89.03934	0.7
91.05478	5.8
93.03405	0.9
93.07020	0.5
95.04980	1.3
97.02889	0.7
98.21415	0.6
99.04457	1.4
99.42902	0.4
103.05453	0.5
105.03432	0.7
107.04944	3.4
109.02876	2.7
111.00795	5.2
111.04446	3.8
117.03365	1.1
119.04107	0.6
119.04947	12.2
121.02839	2.5
123.04427	39.6
127.03915	69.2
128.04219	0.8
131.04935	2.2
133.02879	0.9
133.06139	0.9
135.04413	23.3
137.02359	1.4
137.05984	1.6
139.03899	100.0
140.04257	1.0
141.06984	0.7
143.04927	0.8
145.02888	0.6
145.06502	1.0
147.04407	39.4
149.01320	0.4
149.02325	2.6
149.05989	1.6
150.66348	0.4
151.03906	20.0
153.01833	1.3
155.03360	0.9
155.04831	0.9
157.06532	1.3
159.04391	1.7
161.02364	1.0
161.05984	1.6
163.03902	27.4
165.05504	1.6
167.03416	5.3
169.06509	0.8
171.04367	0.7
173.05956	3.5
175.03897	6.5
175.07550	0.5
177.05466	4.6
179.03386	11.6
179.07045	0.8
181.04974	0.9
181.06497	1.3
183.04369	1.4
185.06007	0.9
187.03871	3.9
189.05397	2.5
191.01846	0.7
191.03392	6.3
193.04967	4.1
197.05986	2.2
199.03770	0.6
199.07596	0.4
201.05455	7.4
203.03401	11.2
203.07027	1.2
205.04980	5.0
213.05444	3.4
215.03419	0.8
215.06984	2.1
217.04977	2.5
218.83112	0.4
219.06491	1.3
219.96478	0.4
223.02344	0.6
225.05406	1.0
229.04959	7.4
231.06447	2.4
233.04419	3.3
237.02837	0.5
237.05334	0.8
241.04962	2.0
243.06609	2.2
245.04430	7.0
247.06023	34.3
251.05409	0.8
253.04929	0.6
255.06570	2.2
257.04443	6.6
258.04916	0.5
259.06021	5.8
261.07419	0.8
263.05569	3.2
265.05002	1.1
269.04391	3.9
271.06012	12.8
273.07452	2.9
275.05496	8.9
277.07294	0.5
283.05997	9.4
287.05496	29.7
288.05798	0.6
289.07068	14.0
295.05951	1.0
297.07776	0.5
299.05472	7.9
301.07074	11.1
305.06528	2.1
311.05560	0.8
317.06540	2.8
323.05460	1.3
357.94699	0.4
389.06473	0.7
391.08182	1.1
407.07605	6.2
409.09225	14.6
410.09464	0.5
425.08658	9.6
427.09998	1.7
433.09686	0.9
437.08411	1.0
443.09448	1.0
451.09937	1.2
573.13586	0.6
750.06989	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.6
55.01870	2.1
55.05513	14.7
57.03440	7.5
57.07058	1.5
61.02933	0.9
65.03932	2.0
67.05507	41.0
67.05875	2.0
69.03416	2.1
69.07069	10.7
71.04984	2.8
71.08607	0.9
71.59126	1.4
73.02875	1.4
73.69348	0.8
74.14349	0.8
79.05495	34.8
81.03405	2.4
81.07057	39.5
83.04972	3.4
83.08630	8.0
83.92986	0.9
85.06533	1.5
91.05474	13.5
93.07041	46.6
95.04968	5.8
95.08607	49.2
97.02885	3.8
97.06523	3.6
97.10173	1.8
99.04440	2.7
105.07027	12.3
107.04974	5.9
107.08595	30.6
109.06504	2.0
109.10158	11.2
111.08121	0.9
117.07021	8.4
119.08576	12.5
121.06497	5.7
121.10149	19.6
123.08025	1.0
123.11696	2.8
123.79850	0.8
125.06001	1.7
131.08571	5.6
133.10121	7.1
135.08070	1.8
135.11693	37.6
139.07547	1.0
145.10127	20.8
147.11665	3.2
149.13237	2.3
152.27890	0.8
153.64761	0.9
159.11688	2.4
161.13292	1.6
163.11186	41.4
163.14845	1.6
173.13226	1.9
181.12227	7.5
184.07356	2.0
187.14854	1.3
199.61977	0.9
227.12776	58.1
228.13165	1.2
243.21059	1.9
259.64243	0.8
261.22095	7.3
283.15393	48.8
290.81253	0.9
317.24829	1.8
335.25800	100.0
336.25928	2.1
361.26385	0.8
543.36816	69.9
544.37012	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	740.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.8
55.01874	2.5
55.05310	1.3
55.05516	16.4
56.25197	1.2
57.03438	8.5
57.07067	2.6
57.36088	1.3
61.02916	1.9
61.08575	1.4
63.92034	1.4
65.03922	2.1
67.05505	42.7
68.12003	1.4
68.41055	1.2
69.03424	2.6
69.07068	16.2
69.60588	8.8
71.04984	4.9
73.02914	1.5
77.03906	1.5
79.05495	42.5
81.03441	2.2
81.06578	3.0
81.07056	54.6
81.90473	1.3
83.04988	2.4
83.08618	10.8
83.49606	1.3
91.05484	19.5
93.07039	56.0
95.04970	10.2
95.08607	64.1
97.02901	4.2
97.06510	5.2
97.10159	2.4
99.04456	4.4
105.07037	12.7
107.04961	9.9
107.08591	43.9
109.06509	3.0
109.10172	12.2
111.08081	2.8
117.07027	12.0
119.08598	11.8
121.06525	6.7
121.10152	23.7
123.08039	1.5
123.11692	3.7
125.05975	2.8
130.07762	1.6
131.08562	7.0
133.10162	8.4
135.08084	2.6
135.11691	58.2
139.07520	1.9
143.08623	1.7
145.10123	30.9
147.11699	3.5
149.13239	3.3
159.11732	3.0
161.13191	2.9
163.11179	66.2
163.14839	1.9
164.11552	1.5
173.09618	1.5
173.13289	2.1
175.14825	1.6
177.82484	1.5
178.32303	1.5
181.12270	11.1
184.07329	1.7
197.89293	1.2
205.77483	1.7
209.11694	2.3
227.12779	95.2
243.21289	1.4
261.22073	10.1
283.15393	93.9
284.15900	1.6
293.21161	1.6
317.24747	2.9
335.25806	100.0
336.26178	1.8
349.24069	1.4
364.87024	1.4
370.40494	1.4
543.36792	77.2
544.37274	3.3
614.47247	1.5
754.57520	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
55.01862	1.8
55.05511	7.2
57.03437	4.8
60.84331	0.7
65.03940	0.9
67.05506	21.5
69.03428	1.4
69.07059	3.4
69.27208	8.4
71.04991	8.6
77.33686	0.7
79.05499	13.8
81.03416	22.0
81.06578	1.6
81.07055	31.4
83.04974	2.5
83.08618	5.9
85.02910	1.0
85.06538	3.7
91.05476	14.0
93.07048	11.6
94.40685	0.8
95.04969	12.1
95.08617	5.9
96.53332	0.7
97.02887	1.3
97.06526	2.7
97.10166	3.2
99.04492	0.9
105.07038	9.8
107.04952	8.7
107.08604	8.8
109.06535	6.1
109.10148	4.7
110.25443	0.8
111.08086	2.1
115.05472	1.1
117.07003	3.2
119.04944	1.0
119.08597	5.2
121.06488	6.7
121.10132	4.9
123.04416	0.8
123.08059	1.7
123.11713	4.7
125.09619	3.5
129.06999	3.9
131.04880	1.0
131.08574	8.3
133.06502	2.3
133.10129	8.3
135.08055	2.8
135.11682	2.7
143.08582	2.0
145.06493	2.1
145.10141	2.3
147.08051	2.4
147.11697	3.2
149.09616	2.5
149.13255	1.7
151.11163	3.4
157.10112	4.7
159.11685	2.4
161.09680	1.1
163.11166	1.8
169.10107	1.7
171.08040	1.4
171.11728	1.9
173.05881	0.7
173.09816	0.8
173.13246	2.1
175.11147	3.4
177.12746	0.8
181.10117	1.7
183.11639	0.8
185.09616	0.9
185.13252	0.9
187.11353	0.7
187.13274	1.8
189.11166	1.9
189.12675	0.9
191.14311	1.5
193.12279	4.3
197.29037	0.9
205.12332	0.9
219.13820	3.0
249.14893	0.8
260.06812	0.7
267.15891	9.6
269.17603	1.5
275.16360	1.1
301.20053	3.6
317.01633	0.8
325.21640	1.1
343.22687	4.2
351.23410	1.2
361.23996	1.4
369.24301	2.7
387.25571	0.8
405.25870	0.8
417.26352	5.3
425.26825	1.6
435.27429	16.8
436.27686	0.9
443.27945	11.7
461.28989	100.0
462.29446	7.1
475.30472	1.5
493.31494	5.1
535.33521	0.9
560.36005	0.8
569.31104	0.9
587.32074	0.9
595.79578	0.8
662.53851	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.0
54.21291	2.0
55.01872	20.7
55.05508	27.5
57.03439	23.8
59.05021	2.7
61.02920	3.1
65.03946	2.4
67.05172	4.0
67.05507	50.8
69.03431	7.4
69.07072	9.2
70.26209	2.7
70.26546	9.6
71.04980	5.8
73.02912	4.1
79.05495	40.8
81.03420	100.0
81.07064	38.6
83.04987	25.8
83.08620	29.6
85.02924	5.1
91.05485	43.1
93.07044	30.0
95.04966	44.2
95.08610	16.7
97.02892	9.5
97.06542	14.0
97.10188	13.2
98.07322	2.9
103.05488	2.4
105.07030	27.1
107.04965	23.3
107.08607	20.7
109.06534	8.1
109.10168	17.7
111.04459	12.1
111.08084	11.4
115.05446	2.5
116.04696	8.2
117.07029	11.5
119.08588	26.1
121.02843	4.2
121.06510	6.6
121.10157	14.6
123.04439	5.4
123.08070	5.8
123.76688	2.7
125.06026	3.7
125.09642	15.7
129.05493	20.8
129.07010	14.7
131.04916	3.1
131.08554	15.7
133.06552	2.4
133.10138	10.2
135.04399	4.4
135.08063	3.1
135.11681	17.3
137.05974	3.5
137.09641	3.6
139.03818	2.7
141.07036	2.6
142.07785	2.8
143.07040	4.9
145.06519	2.9
145.10095	8.8
147.08026	6.2
147.11708	14.9
149.09616	10.5
153.09138	3.1
153.12741	26.1
155.08655	2.5
157.08652	7.4
157.10117	11.5
163.11179	22.4
165.12743	3.4
173.09737	3.7
173.11771	4.8
175.11223	11.6
178.84538	2.0
181.12276	17.2
183.11615	3.4
189.11208	6.7
191.10690	7.2
193.12267	28.7
199.13248	3.0
200.14020	2.2
201.12866	2.1
207.06508	4.3
209.11696	11.0
211.13344	5.2
219.13890	4.1
227.12759	33.9
229.12294	2.7
229.14427	9.4
247.13318	20.5
249.14848	2.7
264.53821	2.5
265.14493	3.1
267.15903	63.9
267.18607	4.4
283.15387	16.6
299.13748	3.5
301.13245	2.9
301.16476	25.3
321.16919	4.0
333.14432	5.0
335.59885	2.7
383.21957	3.0
401.23010	3.9
475.27090	13.4
493.27905	19.6
522.21429	2.5
578.32336	3.7
740.42517	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	739.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82047	2.8
53.03939	11.7
55.01869	35.6
55.05513	53.3
57.03436	28.3
61.02927	22.9
65.03929	5.7
67.05501	85.4
69.03432	23.9
69.07076	31.2
69.54478	8.5
69.54884	16.8
71.04986	13.8
73.02908	8.9
79.05492	100.0
81.02980	5.8
81.03419	79.6
81.07056	95.9
83.04980	28.1
83.08613	31.6
85.02902	40.9
85.06543	5.5
91.03947	10.2
91.05482	96.1
92.05787	3.1
93.07040	74.8
95.04974	45.1
95.08598	42.5
97.02901	26.2
97.06525	47.6
97.10159	19.5
98.20694	5.3
99.04423	4.9
99.08065	3.9
105.07028	95.7
107.04948	40.4
107.08588	63.1
109.02911	5.2
109.06522	16.3
109.10146	26.2
111.04435	6.6
111.08063	17.3
113.06011	3.0
117.06997	22.4
119.08578	60.1
121.06491	8.9
121.10138	24.8
123.08044	7.3
123.11707	7.1
125.09647	18.8
127.03934	5.3
129.07007	21.5
130.07777	3.7
131.08560	37.4
133.06514	8.3
133.10124	48.8
135.08043	12.0
135.11684	11.7
137.09618	8.7
141.07019	5.3
142.07787	5.1
143.08566	10.9
145.10110	25.0
147.08055	9.6
147.11703	33.7
149.09627	42.0
149.13188	4.6
151.11177	6.5
155.08551	5.2
157.10121	24.3
159.11687	15.0
161.09596	4.5
161.13286	7.3
163.11220	14.8
165.09135	3.4
165.12766	5.6
165.45598	2.9
169.10074	5.2
171.11656	7.6
171.16705	4.0
173.04536	3.3
173.09746	3.7
173.11768	3.2
173.13254	7.1
175.11177	19.9
177.12695	5.7
183.11668	4.9
185.11653	3.5
185.13220	5.7
187.11159	4.2
189.11169	15.0
193.12231	59.5
195.11592	3.4
196.80200	3.0
211.13275	80.5
227.12790	38.0
229.14304	4.5
239.17923	6.7
245.13699	4.3
247.20525	6.1
257.19006	11.0
267.15866	35.5
269.17484	3.7
275.20053	97.3
276.20374	4.2
283.15570	3.6
285.16931	58.6
293.21060	6.7
349.23770	52.9
367.24817	4.7
437.25446	5.8
445.29779	3.6
455.26074	7.8
463.30878	3.9
479.29602	4.8
541.35211	23.9
559.36377	41.4
577.37109	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	739.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82047	2.8
53.03939	11.7
55.01869	35.6
55.05513	53.3
57.03436	28.3
61.02927	22.9
65.03929	5.7
67.05501	85.4
69.03432	23.9
69.07076	31.2
69.54478	8.5
69.54884	16.8
71.04986	13.8
73.02908	8.9
79.05492	100.0
81.02980	5.8
81.03419	79.6
81.07056	95.9
83.04980	28.1
83.08613	31.6
85.02902	40.9
85.06543	5.5
91.03947	10.2
91.05482	96.1
92.05787	3.1
93.07040	74.8
95.04974	45.1
95.08598	42.5
97.02901	26.2
97.06525	47.6
97.10159	19.5
98.20694	5.3
99.04423	4.9
99.08065	3.9
105.07028	95.7
107.04948	40.4
107.08588	63.1
109.02911	5.2
109.06522	16.3
109.10146	26.2
111.04435	6.6
111.08063	17.3
113.06011	3.0
117.06997	22.4
119.08578	60.1
121.06491	8.9
121.10138	24.8
123.08044	7.3
123.11707	7.1
125.09647	18.8
127.03934	5.3
129.07007	21.5
130.07777	3.7
131.08560	37.4
133.06514	8.3
133.10124	48.8
135.08043	12.0
135.11684	11.7
137.09618	8.7
141.07019	5.3
142.07787	5.1
143.08566	10.9
145.10110	25.0
147.08055	9.6
147.11703	33.7
149.09627	42.0
149.13188	4.6
151.11177	6.5
155.08551	5.2
157.10121	24.3
159.11687	15.0
161.09596	4.5
161.13286	7.3
163.11220	14.8
165.09135	3.4
165.12766	5.6
165.45598	2.9
169.10074	5.2
171.11656	7.6
171.16705	4.0
173.04536	3.3
173.09746	3.7
173.11768	3.2
173.13254	7.1
175.11177	19.9
177.12695	5.7
183.11668	4.9
185.11653	3.5
185.13220	5.7
187.11159	4.2
189.11169	15.0
193.12231	59.5
195.11592	3.4
196.80200	3.0
211.13275	80.5
227.12790	38.0
229.14304	4.5
239.17923	6.7
245.13699	4.3
247.20525	6.1
257.19006	11.0
267.15866	35.5
269.17484	3.7
275.20053	97.3
276.20374	4.2
283.15570	3.6
285.16931	58.6
293.21060	6.7
349.23770	52.9
367.24817	4.7
437.25446	5.8
445.29779	3.6
455.26074	7.8
463.30878	3.9
479.29602	4.8
541.35211	23.9
559.36377	41.4
577.37109	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	737.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53363	0.9
56.83718	0.9
67.05507	2.1
67.11833	0.9
69.41690	2.6
69.42104	5.9
72.59502	0.9
81.07043	1.3
81.86537	0.8
98.21505	2.1
104.19329	1.1
159.03322	1.0
205.89774	1.0
243.02460	0.9
608.53180	1.0
737.48083	100.0
738.48260	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	738.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	8.2
55.05496	16.6
57.03424	6.2
58.20919	5.4
67.05509	61.7
69.07066	15.3
71.59425	4.5
73.56107	5.1
74.60348	5.9
79.05499	63.8
81.03398	5.3
81.07053	38.3
83.08616	13.9
90.42173	5.3
91.05484	46.8
93.07050	67.9
95.04966	21.8
95.08598	42.9
105.07024	29.8
107.04960	6.8
107.08582	23.0
109.10159	11.0
116.24597	5.5
117.07046	8.9
119.08575	21.8
121.10119	15.6
129.07001	6.8
131.08649	8.4
133.10078	9.1
145.10208	6.8
147.11681	25.0
165.58897	5.4
171.11726	13.3
174.52074	5.3
183.70041	5.8
207.13786	22.8
228.59480	5.4
233.36952	6.2
281.17523	48.0
335.25797	45.7
541.38971	100.0
542.38806	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	737.446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.7
55.01855	7.8
55.05514	39.8
57.03429	12.1
57.07067	3.3
61.02921	22.2
65.03928	5.4
67.05499	62.6
69.03423	19.0
69.07071	24.5
71.05007	14.3
73.02898	9.5
79.05493	52.6
81.03413	25.2
81.07053	72.2
83.04992	12.3
83.08620	21.5
85.02896	24.8
85.06544	4.7
91.03946	12.4
91.05479	50.0
93.07034	49.3
95.04964	15.8
95.08598	48.6
97.02888	20.4
97.06530	10.5
97.10181	20.2
99.04446	4.3
99.08083	3.9
101.02363	4.5
105.07026	48.3
107.04945	8.3
107.08575	28.4
109.02868	6.1
109.06505	10.5
109.10160	27.2
111.08060	4.1
115.05444	4.5
117.06995	24.2
119.08565	38.7
121.06486	7.0
121.10119	21.1
123.08033	4.9
123.11691	6.0
125.09618	15.3
126.04552	2.5
127.03902	10.3
128.06216	4.5
129.05527	3.2
129.06979	21.7
131.08569	37.3
133.06485	4.6
133.10146	23.8
135.08047	7.1
135.11688	10.8
137.09636	3.1
141.06969	8.2
142.07758	8.0
143.08554	27.4
144.09323	3.9
145.06444	3.8
145.10112	28.1
147.08044	8.3
147.11664	13.8
149.09573	7.5
149.13252	3.0
151.11180	3.8
153.06985	3.7
155.08591	14.6
157.10132	26.8
159.08049	5.8
159.11681	22.8
161.09631	6.8
161.13142	5.9
163.11186	5.2
167.08539	5.2
169.10123	14.5
169.64975	2.5
171.10358	4.3
171.11638	22.4
173.05824	2.6
173.09598	4.5
173.13240	12.8
175.11151	8.2
181.10092	8.4
183.11707	14.5
185.13235	12.8
187.11214	5.7
187.14832	5.2
189.11221	9.6
189.12723	3.5
193.10194	2.7
193.12204	7.4
195.11684	11.2
197.13280	9.6
199.11153	3.3
199.14803	6.9
203.14291	2.8
207.11786	3.8
209.13269	7.1
211.13266	6.9
211.14980	3.8
213.16420	4.4
217.15892	3.7
219.11754	3.3
223.14845	5.2
227.12695	16.7
229.14357	3.9
235.14900	5.0
237.16374	3.5
245.13554	3.4
267.15723	4.1
273.18442	11.2
275.19974	5.9
283.20535	5.0
285.22137	5.2
291.19696	13.0
297.22043	4.2
299.23709	10.3
301.22012	3.3
321.22052	3.5
327.23215	3.1
339.23132	5.3
365.23172	9.8
415.29745	7.8
421.26157	3.7
433.31094	19.9
443.27728	4.8
451.32120	17.9
469.33298	7.1
499.34134	4.2
507.34573	8.7
517.35181	35.7
518.35278	3.6
525.35736	74.0
543.36798	100.0
544.36432	3.9
557.38660	15.5
575.39490	36.8
679.39929	9.5
705.41974	4.4
719.41241	3.6
737.43933	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	737.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.2
55.01863	5.7
55.05507	18.8
57.03440	13.9
65.03913	4.6
67.05171	5.0
67.05502	65.0
69.03416	8.6
69.07075	19.4
70.78506	2.9
71.04979	8.9
73.02930	3.3
74.83363	2.7
79.05020	2.0
79.05487	56.6
81.03406	12.0
81.07055	100.0
82.07410	4.5
83.04964	16.3
83.08613	13.5
84.98322	2.9
85.02886	13.2
85.06518	9.7
91.05482	67.0
93.07039	56.8
93.35040	2.8
95.01333	4.1
95.04960	17.5
95.08604	43.9
97.02878	5.8
97.06538	11.2
97.10147	4.7
103.05470	4.0
105.07024	88.0
107.04936	4.0
107.08601	37.0
109.06519	7.3
109.10172	11.4
111.08070	3.9
114.54039	2.7
117.07024	14.1
119.08588	61.4
121.10143	30.2
123.08061	4.7
123.11707	23.6
123.75688	2.9
129.07011	7.8
131.03377	3.8
131.08582	26.0
133.10138	37.8
135.08034	4.0
135.11697	15.7
135.80728	3.3
141.01788	4.5
143.08545	8.7
145.10124	22.8
147.11679	84.6
149.09624	4.9
149.13249	12.4
151.11197	4.1
153.41159	2.7
157.10089	10.0
159.11722	16.9
161.13271	27.3
163.11192	4.1
163.14806	5.0
164.11400	2.7
165.12778	20.1
169.10146	4.0
171.11673	13.3
173.11842	3.9
173.13205	14.3
175.11191	6.1
175.14778	11.3
177.12791	4.0
183.13823	4.1
185.13283	8.2
187.14847	3.9
193.12225	3.9
199.14780	6.7
229.14290	10.1
229.30701	3.2
231.20981	4.3
241.19548	24.8
257.18912	4.4
259.20587	72.2
267.15973	32.7
275.19989	10.6
277.21652	9.1
281.17310	4.2
283.20938	3.2
285.16962	56.3
315.22919	3.8
333.24200	47.9
333.69238	3.2
349.23880	3.7
351.25278	10.4
520.40924	3.3
525.35657	5.6
534.66650	3.1
543.36743	23.7
557.37329	5.4
561.37549	12.8
593.07776	3.2
766.86218	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	737.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	17.9
54.20378	5.2
55.01862	24.3
55.05515	36.0
57.03428	21.8
63.03808	4.8
65.03947	9.4
65.08244	6.4
67.05503	100.0
69.03439	28.4
69.07081	26.8
69.30722	63.3
71.04998	10.8
72.39303	5.6
79.05497	77.0
79.90953	6.1
81.03412	77.3
81.07053	70.8
83.04974	18.3
83.08613	20.4
84.86206	5.9
85.02903	19.4
85.06541	10.4
91.05477	73.3
92.05379	4.9
93.07042	57.3
95.04969	67.1
95.08615	33.1
97.02881	24.6
97.06533	15.9
97.10165	11.1
99.04431	7.4
105.07024	47.2
105.23339	5.4
107.04928	22.4
107.08594	34.0
109.02858	12.0
109.06498	49.3
109.10150	21.7
111.04437	9.0
111.08054	12.5
113.06032	33.0
115.05450	6.8
117.06998	23.2
119.08588	42.3
121.06499	9.9
121.10153	26.2
123.04466	8.9
123.08090	12.1
123.11686	5.9
125.09617	9.3
127.03918	13.0
129.05513	6.9
129.07028	19.0
131.08553	41.2
133.06483	11.2
133.10106	28.9
135.08066	46.8
135.11710	12.0
139.03870	9.6
141.09227	6.2
143.08577	10.9
145.10124	28.3
147.08020	10.3
147.11685	19.0
149.09627	20.2
149.13156	5.8
153.12791	6.7
157.10123	20.3
159.08069	8.7
159.11664	11.7
161.09616	10.9
162.83763	6.5
163.11208	15.4
171.11739	11.7
175.11169	14.5
177.12689	7.1
186.59375	5.8
191.10753	8.3
193.12282	24.4
209.11664	7.7
211.13318	21.3
217.15913	9.2
227.12650	7.9
229.14456	8.4
257.19012	7.6
267.15942	23.7
273.18579	40.1
275.20068	20.6
283.15402	9.8
285.16751	9.9
291.19574	86.3
347.22372	10.1
349.24136	9.2
365.23071	13.5
429.21240	9.9
539.33838	10.0
557.34711	35.2
575.35724	14.5
719.39856	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	737.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	11.8
58.41255	1.6
58.99871	2.1
62.15991	1.3
69.03424	2.1
70.83271	1.2
77.00910	3.0
81.03415	2.7
84.96016	7.1
87.85094	1.6
89.03907	3.3
91.05466	1.7
94.84339	1.3
95.01952	1.5
97.02900	2.6
98.97581	14.7
101.00874	3.8
107.04884	1.4
109.02882	2.2
110.97623	1.8
113.00877	2.2
115.02480	1.8
116.98623	15.7
117.03355	5.5
119.01918	38.9
127.02457	1.8
127.03914	2.8
128.98592	8.3
129.03909	1.4
131.01907	12.4
133.03477	5.2
134.99646	9.6
135.04390	8.2
137.02928	9.5
139.03926	2.0
143.00185	2.6
143.01883	19.9
145.02771	6.7
145.03506	6.9
146.99641	8.7
147.01405	4.8
147.04341	7.4
147.22783	1.4
149.02959	3.1
153.01828	3.9
155.01888	16.2
157.03485	9.9
158.99605	6.9
161.01245	9.3
161.02954	42.9
162.99100	1.6
163.03891	90.9
164.04213	3.6
165.00775	2.5
167.01910	5.8
169.03462	5.4
170.99634	5.7
171.01280	2.1
171.05060	8.8
173.01418	2.5
173.02943	33.3
175.04495	4.5
177.00735	8.5
177.05450	10.3
178.05699	1.5
179.02037	3.1
179.03871	1.8
182.99701	3.8
183.01442	1.7
184.04459	2.1
185.01237	2.1
185.02962	45.9
186.02934	1.7
187.02945	2.0
187.04427	8.5
189.00711	11.4
189.02475	2.7
189.06166	2.1
191.03970	2.7
193.03432	2.8
197.02959	15.0
201.00752	12.2
201.02400	2.8
203.02013	6.2
203.04027	17.8
205.03522	2.5
207.01645	2.0
207.07121	1.8
207.84566	1.8
209.02957	4.4
210.85664	1.6
211.04604	3.6
213.04247	2.1
215.03992	8.9
219.01759	15.8
221.02969	100.0
221.05014	8.2
222.03195	3.6
223.04675	1.8
225.08202	1.9
226.05643	1.7
227.01978	1.7
227.04085	8.0
231.07074	1.8
233.01399	1.9
235.04559	3.3
237.00693	1.6
237.02812	10.1
239.02121	6.5
239.04144	32.5
243.01762	2.7
244.04610	5.6
245.02901	21.9
245.05080	68.0
246.05400	2.4
247.04744	2.5
249.08249	2.8
257.03085	12.2
257.05533	18.7
259.04593	2.9
261.02713	18.7
261.05344	1.9
261.08347	2.2
263.04001	75.3
263.06100	4.9
267.03473	1.8
273.02710	4.0
275.03699	3.4
275.06210	7.0
277.05682	4.1
279.03793	10.9
279.06381	1.6
280.04297	1.9
281.05255	37.5
285.01953	1.8
286.05551	4.6
287.03860	4.1
289.05634	2.1
291.03818	4.1
293.03732	2.8
293.07172	4.1
295.06543	4.2
299.06509	12.1
303.03629	3.2
305.07291	4.6
307.06522	4.2
311.04904	1.5
317.05377	3.7
321.04849	8.3
321.10303	4.6
323.06421	9.7
333.04630	1.7
347.06119	10.5
349.03745	2.2
351.06146	3.4
351.11340	11.4
353.06967	1.8
357.24130	1.6
365.06836	17.6
367.04837	1.7
371.71536	1.6
377.03653	9.1
383.08310	14.6
393.03265	2.7
395.04300	4.9
395.06042	4.7
405.05984	2.0
411.04868	4.1
413.05396	14.0
419.04541	4.1
429.12299	3.6
437.05557	24.8
447.07614	3.9
449.05655	3.6
455.06647	44.3
456.06802	2.3
467.06589	12.3
473.07877	5.1
478.08398	2.5
485.07800	4.0
497.07706	7.2
498.95023	1.4
509.98593	1.6
515.08862	7.7
521.08093	3.3
539.08667	23.9
545.12457	13.1
557.09680	26.2
573.09808	6.3
575.10626	5.5
605.12604	1.7
701.14142	2.6
719.14435	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	735.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	12.8
54.18029	5.2
55.01875	16.4
55.05509	25.8
57.03448	9.8
67.05511	83.0
69.03431	15.4
69.07050	31.3
71.05003	15.0
79.05498	92.6
81.03423	31.6
81.07057	100.0
83.04974	24.3
83.08611	12.9
85.02901	12.7
85.06501	5.1
91.05486	75.6
93.07055	83.9
95.04970	35.3
95.08598	49.3
97.02888	17.8
97.06514	16.6
99.34266	5.3
105.07018	70.0
106.02603	6.5
107.04967	19.3
107.08601	50.2
109.02829	7.6
109.06538	16.6
109.10161	27.3
117.07031	32.5
119.08584	49.3
121.06509	6.6
121.10148	17.8
123.08073	9.0
128.06252	8.7
129.07010	25.1
131.08574	30.5
133.10130	32.5
135.08083	8.3
135.11668	8.5
143.08574	12.7
145.06499	6.5
145.10083	19.3
147.11665	46.4
149.09726	8.5
159.11728	13.6
161.09669	10.2
161.13246	11.2
163.11156	9.7
169.10181	8.8
169.60071	6.4
171.11708	26.3
173.04405	12.4
177.12756	6.6
183.11862	6.5
189.12823	6.9
207.13751	11.3
208.51563	6.6
209.88492	7.2
220.10983	7.2
229.27501	8.4
253.14395	11.3
262.80594	6.1
275.20026	55.3
279.15787	6.8
281.17480	40.1
349.23685	31.2
456.11752	6.0
475.30719	43.9
555.36835	42.9
571.36224	7.1
573.37622	10.4
619.35150	13.4
735.41656	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	736.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64340	0.4
53.03931	1.4
55.01852	1.6
57.03429	0.7
60.27671	0.4
69.03425	3.9
70.06579	0.4
71.04962	0.5
71.57664	0.9
73.02893	0.7
79.05492	0.5
81.03418	4.2
85.02901	6.9
87.00801	2.3
91.05470	5.3
92.05809	0.7
93.07048	0.4
94.04185	0.9
95.04947	0.6
97.02894	2.6
99.04430	1.8
103.05426	1.0
105.01848	1.8
105.07016	1.3
107.04930	0.6
109.02876	3.6
109.06518	0.4
115.05416	1.0
117.01864	0.7
119.01907	0.8
119.04928	1.8
121.06466	0.6
122.03648	2.3
123.04420	0.8
127.03905	5.2
130.04141	0.6
131.04948	2.1
133.06479	1.7
137.05972	30.3
143.04916	1.1
145.04977	1.9
145.06476	1.6
146.03609	0.8
147.04398	1.4
149.05977	2.5
150.06761	1.2
151.03853	2.8
158.03635	1.6
159.03073	2.1
159.04376	2.1
160.05240	0.6
161.05965	3.5
162.03056	0.4
163.07571	0.5
163.93083	0.4
163.95175	0.4
164.02853	0.4
165.07008	0.5
173.05992	4.2
175.03934	1.4
175.07552	1.1
176.04683	0.7
176.06137	0.4
177.05475	1.5
177.06981	1.2
186.03119	4.7
188.04672	0.5
189.05467	2.3
189.07039	1.4
191.07088	1.0
194.07301	1.1
201.05449	19.4
202.05894	0.8
203.07027	1.6
203.08688	0.5
204.05746	0.6
205.06474	6.1
206.07210	2.4
207.06483	1.7
207.08142	0.6
208.08725	0.5
213.05467	1.6
215.06938	0.5
217.06479	1.4
218.07214	1.0
219.06450	9.9
220.05006	0.5
221.06012	1.2
221.09613	0.9
222.06699	3.1
223.07483	0.9
227.07133	0.9
231.06496	1.4
231.08400	0.7
233.05957	9.3
234.06741	10.4
235.07521	2.8
236.08284	0.7
237.09096	6.2
239.06895	1.1
245.06013	2.7
246.06747	1.4
247.07445	2.9
248.08296	1.4
249.05443	1.9
249.09152	3.3
250.06221	6.5
251.06967	2.9
252.07809	0.7
253.08636	0.6
254.05646	0.5
254.09448	0.7
259.07458	0.8
261.05499	3.2
262.06235	9.7
263.07111	3.0
263.09488	0.5
264.07849	3.0
265.05597	0.8
265.08554	13.9
266.09344	1.2
267.06546	0.8
273.05569	2.6
274.06223	1.3
275.07169	1.0
276.07816	1.6
277.05499	0.7
277.08569	10.5
278.05789	3.8
278.08777	0.6
279.06509	2.2
279.10083	1.9
280.07239	0.9
281.07971	0.5
281.11603	0.5
282.08881	1.7
283.09589	0.5
287.07074	1.5
289.05017	1.3
290.05722	14.5
291.06235	1.1
291.10193	0.6
292.07257	8.2
293.08054	14.9
294.08813	3.2
295.06122	0.9
295.09540	1.9
297.11288	1.9
298.06097	0.5
301.08685	0.5
303.06320	0.5
304.07205	0.8
305.08051	23.6
306.08447	1.7
307.06241	0.9
307.09601	19.3
308.10104	0.5
309.07776	0.7
309.11179	2.0
310.08392	2.1
311.09705	0.6
312.10004	0.9
319.09558	2.0
320.10263	0.5
322.08395	2.6
325.10687	100.0
326.10898	3.4
335.09024	0.9
337.10675	44.9
338.11008	1.0
341.08490	0.5
343.11871	0.8
347.09052	0.9
349.10672	3.6
352.10193	1.4
353.11108	0.6
354.11050	1.2
355.11795	10.6
356.11761	0.5
358.08640	0.5
359.08899	0.6
361.10760	0.6
373.10638	1.1
380.08844	0.5
391.11880	1.3
396.12164	0.7
397.10898	0.5
415.11838	5.4
433.12680	0.8
458.14478	1.6
537.13971	1.0
555.14368	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41437	2.7
53.03938	12.1
55.01868	21.1
55.05512	31.9
57.03439	14.5
61.02908	8.7
65.03944	3.9
66.75239	3.5
66.76813	2.8
67.05173	5.7
67.05506	80.8
69.03434	15.9
69.07063	23.3
69.94365	4.9
69.94789	15.7
71.04979	10.1
73.02917	3.8
73.06548	3.7
75.27161	3.0
77.03912	3.7
79.05016	2.9
79.05492	90.6
81.03416	28.5
81.07057	100.0
81.84040	3.6
83.04990	22.7
83.08613	13.2
84.83150	3.0
85.02894	12.0
85.06519	3.9
91.03979	3.4
91.05484	84.3
93.07043	74.7
95.04968	33.8
95.08599	41.2
97.02890	12.6
97.06525	21.3
97.10167	7.1
99.04488	4.8
105.07036	73.7
107.04969	19.1
107.08595	38.5
109.06509	12.2
109.10166	15.7
111.04488	3.0
111.08076	4.1
117.07011	20.5
119.08582	46.8
121.06498	8.4
121.10190	14.1
122.77042	2.9
123.08051	8.8
123.11690	5.0
125.09644	6.1
127.03902	9.2
128.06274	6.5
129.06999	18.4
130.07773	4.5
131.08577	27.8
132.65352	3.1
133.06514	5.2
133.10123	35.8
135.08032	9.7
135.11728	8.6
141.06990	3.8
143.08582	14.8
145.10120	24.3
147.08052	7.3
147.11691	35.5
149.09650	14.3
149.13303	5.4
155.08484	5.1
157.10112	7.6
159.11632	14.7
161.09592	5.4
161.13251	10.4
163.11174	10.7
167.08566	4.1
169.10115	7.1
171.11661	21.4
173.04478	7.6
173.13306	6.0
179.14259	2.9
189.12726	9.0
197.10109	3.0
199.14880	3.9
207.13777	17.2
227.12773	12.9
229.14380	3.6
257.19049	4.9
275.20071	51.7
281.17419	48.2
291.19553	6.0
293.20935	3.8
314.16135	2.9
345.14270	3.8
349.23727	27.8
459.31195	4.7
475.30502	18.1
509.34546	3.7
555.36737	41.7
573.37585	16.1
735.42542	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	734.468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.5
55.05513	11.6
55.41766	2.0
57.03440	12.7
57.07080	25.7
67.05515	18.4
69.07062	11.6
69.83992	2.3
70.27022	9.9
71.04994	5.3
71.08629	17.2
71.16738	2.3
79.05488	18.4
81.03422	39.1
81.07058	25.1
82.72758	2.0
83.04980	12.0
83.08616	23.5
85.02914	14.9
85.10177	10.4
91.05492	19.6
93.07043	9.8
95.01371	2.5
95.04977	14.8
95.08602	22.1
97.02879	3.8
97.10162	6.4
105.07028	12.2
107.04970	3.2
107.08599	4.7
109.06466	2.8
109.10129	6.9
111.08077	7.0
111.41841	2.1
117.07066	3.1
119.08569	12.3
121.10146	7.1
123.11676	4.4
129.06989	11.5
131.08546	6.2
133.10106	9.8
136.40111	2.2
141.01842	3.3
142.07753	2.7
147.11664	8.9
149.09622	4.9
157.10129	11.1
175.11180	10.0
184.07413	2.3
193.12233	32.5
211.13283	64.1
229.56305	2.8
239.23712	2.9
249.34412	2.3
267.15817	21.2
281.48187	2.4
285.16977	61.2
285.20218	3.4
313.27396	74.8
373.64526	2.6
419.05231	2.3
440.77777	2.4
443.19058	2.5
445.87463	2.2
505.38953	21.0
512.17609	3.0
523.39948	100.0
580.88391	2.5
605.83954	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	733.413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.6
56.12870	1.5
57.03437	2.2
61.02917	2.4
61.10817	1.2
67.05508	6.3
69.03431	3.0
69.07071	2.1
73.02921	2.8
73.23783	1.1
77.02284	1.3
79.05503	5.4
81.03416	3.7
81.07059	5.6
83.04990	2.1
85.02905	3.1
89.06036	2.4
90.50845	1.4
91.03930	3.1
91.05469	5.2
93.07051	6.6
95.04960	2.4
95.08625	2.4
97.02914	2.6
97.10184	1.6
98.21538	3.0
101.41769	1.1
105.07027	4.9
107.08604	3.1
109.10136	1.6
117.06989	2.3
119.08597	3.4
121.10191	1.7
126.03811	1.4
127.03947	1.8
131.08577	1.5
135.11703	3.7
145.10149	2.0
227.20070	6.4
231.31633	1.5
242.12688	1.2
243.08488	1.9
301.44318	1.6
439.19266	8.7
535.28998	3.9
571.36957	2.0
733.41309	100.0
734.41418	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	731.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.3
56.69764	0.7
57.03433	2.3
61.02927	4.1
61.96469	0.7
67.05502	5.8
69.03436	2.9
69.07065	2.1
70.72652	2.1
73.02922	3.5
78.51283	0.7
79.05502	2.2
81.03421	1.8
81.07069	5.8
83.08602	1.5
84.73577	0.8
85.02904	4.3
91.03959	2.3
91.05489	1.6
93.07055	4.8
95.04960	0.8
95.08609	3.0
97.02893	3.6
99.04420	1.0
101.02396	1.3
107.08582	2.2
109.10160	0.9
111.71716	0.8
115.03853	0.8
117.07027	0.7
119.08612	0.8
121.10194	2.3
127.03956	1.4
131.08582	1.4
133.10191	0.9
144.40799	0.7
149.13266	1.9
153.93929	0.8
159.11617	0.8
243.08408	2.4
304.37894	0.8
406.31165	0.8
453.20914	9.0
502.49088	0.8
519.29218	5.8
731.43390	100.0
732.43872	2.7
757.75854	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.472
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25851	1.6
55.01867	2.8
55.05509	7.7
57.03437	11.1
57.07060	1.8
58.61652	1.5
64.61642	1.6
65.50349	1.4
67.05493	11.2
69.07063	13.1
69.34206	17.3
71.01357	13.4
71.04993	54.7
71.45071	1.4
75.04491	9.4
79.05501	6.7
81.07050	30.4
83.04985	3.5
83.08630	6.7
85.02902	87.8
91.05486	7.1
93.07053	18.6
95.04988	2.7
95.08604	62.0
97.10178	4.3
98.20691	3.3
101.02380	24.4
105.07024	26.7
107.08591	31.5
109.06501	1.8
109.10148	39.0
111.04462	5.0
111.08096	6.2
111.11695	1.9
117.06995	2.5
119.08580	30.8
121.10139	28.1
123.11711	16.3
127.03909	43.2
127.04795	2.4
129.05469	19.0
131.08589	7.4
133.10124	25.4
135.11697	21.2
137.13281	4.4
143.08536	2.7
145.04958	60.2
145.10100	15.8
147.06496	8.6
147.11678	21.7
147.74245	1.5
149.13258	16.1
151.11174	2.5
157.10114	5.6
159.11722	19.4
161.13261	22.8
163.14842	13.4
169.10100	2.1
171.11681	4.7
173.13272	10.1
175.14821	22.4
177.16399	18.0
185.13297	5.1
187.14856	9.6
189.16371	16.6
191.17978	9.7
193.15955	3.2
199.14859	3.7
201.16400	23.9
203.17963	18.1
205.15845	9.6
205.19455	8.6
207.17435	6.4
213.16446	3.7
215.18050	7.7
217.16058	3.0
217.19492	22.1
219.17455	3.9
227.17914	6.5
229.19543	12.2
231.17361	2.7
231.21100	4.7
241.19579	2.3
243.21115	3.1
245.18993	2.9
255.21092	6.2
257.22632	3.9
259.20538	1.9
269.22708	2.2
271.24252	2.9
278.28833	1.6
280.31683	1.6
281.22745	2.1
283.24109	2.5
295.24060	3.7
365.32025	7.5
393.35065	2.4
405.35144	15.6
423.36197	100.0
424.36496	4.9
441.32047	1.8
441.37479	10.8
481.47891	1.7
543.61523	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.16
Annotation	Procyanidin B5 3'-O-gallate
Peak:m/z	Relative Intensity
51.02372	1.1
53.03930	1.2
55.01852	1.0
65.02802	0.4
65.03905	0.6
65.52144	0.4
67.05483	1.1
68.99784	4.5
70.06563	0.5
70.18778	1.1
70.19181	0.8
71.39691	0.5
77.03912	1.1
79.01835	1.3
81.03418	2.4
85.02922	0.5
88.19732	0.5
89.03894	0.9
91.05481	0.6
95.04935	2.2
97.02884	0.5
99.04456	1.0
103.05428	0.6
105.03377	1.9
107.04927	3.3
109.02853	2.3
111.00805	3.0
111.04443	2.9
115.05450	0.8
117.03320	0.5
119.04926	0.5
121.02861	1.2
123.04422	100.0
124.04817	0.6
125.02366	0.9
127.03909	67.6
131.04926	2.1
135.04410	26.5
136.05569	0.6
137.02350	1.9
137.05846	0.5
139.03893	18.7
141.06964	0.8
143.03400	0.9
143.04916	1.0
145.06474	0.6
147.04413	5.3
149.02327	3.2
149.05968	0.9
151.03888	9.4
153.01819	11.9
153.02977	0.8
157.06464	0.8
159.04358	2.3
161.05984	2.3
163.03897	27.3
165.05475	1.9
167.03362	3.9
169.06467	1.4
171.04448	0.6
173.02370	1.6
173.05998	2.0
175.03905	2.2
175.07460	0.5
177.05531	2.7
179.03432	3.4
181.06506	0.6
183.04416	1.1
185.05978	1.0
187.03864	4.3
189.05504	2.1
191.03360	2.8
193.04980	2.2
193.06494	0.4
197.05960	3.2
201.05428	6.6
203.03368	6.2
203.07080	1.3
205.05022	1.4
207.06528	0.5
213.05528	2.4
215.03424	1.3
215.07079	1.7
217.05035	1.6
219.06757	0.5
223.02403	0.7
225.05501	1.5
227.03438	1.2
229.04958	3.9
231.06543	1.2
233.04515	1.4
237.05389	0.7
241.04988	1.4
243.06496	4.0
245.04466	3.4
247.06013	11.8
251.05400	0.6
253.04985	1.1
255.06555	0.8
257.04453	3.8
259.06024	3.3
261.07584	0.7
267.06546	0.9
269.04425	5.6
271.05988	15.2
273.07562	3.8
275.05487	6.3
283.05978	2.9
285.07602	1.6
287.05484	13.5
287.08435	0.9
289.07059	12.0
289.10141	1.0
291.08630	2.4
295.05997	2.7
297.07706	0.7
299.05557	8.0
301.07123	4.0
303.05289	0.5
311.05490	1.8
313.06964	3.7
315.08450	0.6
391.08240	1.4
393.09525	1.1
409.09204	8.9
421.09174	5.5
427.10226	0.6
435.10895	1.8
439.10330	1.7
543.12891	1.3
563.11981	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.5674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26443	4.1
57.07070	34.6
71.08631	28.1
73.06579	9.2
85.10187	20.7
87.04448	10.3
87.51621	4.0
89.06027	100.0
97.10178	7.2
97.60328	3.9
98.21548	7.6
107.07063	5.5
110.57555	4.0
110.64264	4.6
117.09151	7.4
130.08614	5.0
131.80014	4.3
133.08604	55.7
134.37544	4.1
177.11217	16.6
221.13875	5.4
228.40785	4.7
229.84221	5.2
343.32095	5.7
379.09149	5.3
451.28549	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	731.1597
Annotation	Procyanidin B5 3'-O-gallate
Peak:m/z	Relative Intensity
51.02370	1.1
53.03944	1.0
55.01863	1.9
56.82401	0.9
62.93948	0.9
65.03920	1.3
67.05525	1.2
68.99474	0.9
68.99786	5.5
69.96823	5.1
74.77534	0.9
79.01861	1.3
79.05482	1.8
81.03414	3.3
87.56731	0.9
91.05441	1.0
93.03410	1.0
95.04967	2.4
95.36235	0.9
105.03421	1.5
107.04942	4.6
109.02859	3.6
111.00791	3.3
111.04453	4.7
112.08447	1.0
115.05470	1.3
116.70032	1.1
119.04912	1.1
121.02864	1.7
123.04427	84.4
125.02383	0.9
127.03915	100.0
131.04909	2.4
135.03395	2.1
135.04411	32.3
137.02332	4.1
139.03899	46.7
141.06953	1.4
143.03386	1.2
145.06516	1.0
147.04388	6.7
149.02327	4.8
149.05962	1.9
151.03893	15.7
153.01836	15.2
153.06981	0.9
159.04369	2.3
161.05971	3.1
163.03900	38.6
164.04266	1.5
165.05452	5.3
167.03394	8.6
169.06371	1.9
173.05910	3.0
175.03874	4.6
177.05466	3.5
179.03374	4.0
185.05917	1.7
187.03859	5.6
189.05437	3.2
191.03403	12.6
193.04922	3.3
197.05943	3.4
201.05479	9.1
202.18347	1.1
203.03377	11.5
203.07072	1.5
205.04968	2.7
213.05432	1.2
215.03410	2.5
215.07048	3.2
217.04945	2.2
223.02463	1.2
225.05424	2.4
229.04948	7.5
231.06572	1.7
233.04443	5.9
243.06541	4.3
245.04433	8.9
247.06004	21.9
251.05550	1.5
253.04955	1.3
255.06514	2.3
257.04395	11.8
259.06027	8.2
269.04483	6.2
271.06009	21.1
273.07587	5.7
275.05493	18.6
276.05817	1.0
283.06024	10.0
285.07587	1.6
287.05481	26.0
289.07047	10.9
291.08478	2.6
299.05447	3.5
301.07043	14.0
302.07382	1.2
379.08252	1.4
391.08011	3.1
393.09641	2.3
409.09195	28.4
410.09494	1.1
411.10898	1.7
421.09128	2.6
427.10355	2.2
435.10822	1.2
500.19662	1.3
524.36029	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86055	0.3
55.35592	0.3
56.05027	0.7
58.06615	0.5
60.07875	0.5
60.08162	6.7
67.05489	1.0
71.07362	3.3
79.05462	0.4
81.03430	0.4
81.07060	0.5
86.09703	31.7
87.44857	0.3
91.05470	0.5
93.07033	0.4
95.08580	0.5
98.98457	3.1
104.10747	2.5
107.08575	0.4
125.00007	21.3
143.00998	0.6
184.07339	100.0
185.07628	0.6
275.97156	0.4
389.58157	0.4
730.46429	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.7
55.05495	8.0
57.03428	2.7
61.02915	4.1
67.05498	23.8
69.03426	17.2
69.07034	8.3
69.71381	11.4
69.71787	5.7
71.01353	6.3
71.04986	5.0
71.68079	2.5
73.02911	3.5
79.05482	9.9
81.03415	17.8
81.07056	26.6
83.08589	3.5
85.02903	75.9
87.51734	2.7
91.05463	10.0
93.07047	19.4
95.08604	63.9
97.02890	34.3
99.04436	38.8
101.02357	5.1
103.03938	55.8
103.04619	1.4
105.07043	25.8
107.08591	27.4
109.02867	20.9
109.10149	91.4
119.08571	28.7
121.10140	25.1
123.11695	10.2
127.03913	100.0
131.08533	10.3
133.10138	26.4
135.11752	13.4
137.05946	4.9
143.08533	4.1
145.04953	61.8
145.10100	11.6
147.10579	2.6
147.11642	15.0
149.13225	8.1
157.10139	4.9
159.10583	2.6
159.11688	14.7
161.13205	13.4
163.06024	28.1
163.14778	4.4
171.11624	2.7
173.13290	10.5
175.14815	5.3
177.16368	7.6
187.05991	7.0
187.14799	7.0
189.16364	61.9
191.17879	9.6
199.14801	6.0
201.16428	18.7
203.17924	30.1
205.07159	5.7
205.15843	4.4
205.19440	2.9
207.17477	2.6
213.16379	4.7
215.17957	12.0
217.19476	10.0
229.19450	4.0
241.19376	3.7
255.20998	2.9
256.07431	2.8
271.08151	5.4
289.09006	3.3
307.10074	4.2
311.27264	6.3
349.61038	2.6
383.36130	2.9
405.35062	23.9
423.36163	22.8
567.12439	8.2
624.20013	2.7
729.45093	7.8
741.32178	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	729.47
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.8
54.71614	3.5
55.05505	7.0
67.05508	25.2
69.07063	12.8
69.23940	3.2
69.52634	10.5
69.53059	20.9
69.95779	3.5
71.08681	2.9
77.10575	3.6
79.05499	11.0
81.03437	20.4
81.07057	20.1
83.04984	9.1
83.08622	5.7
86.09702	8.4
91.05482	7.9
93.07056	18.1
95.04973	16.0
95.08621	9.0
98.20695	3.6
103.97154	3.3
105.07036	12.9
107.08620	8.3
109.06509	3.7
109.10190	6.1
119.08582	4.3
120.74396	3.5
125.00006	7.2
133.10080	6.6
147.11717	5.5
151.11206	12.7
161.13289	4.6
165.12543	4.9
184.07358	34.8
185.07620	4.2
215.88057	3.5
272.37515	3.7
277.21646	100.0
295.22684	12.7
337.27319	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	729.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01851	0.4
55.05523	1.1
57.03439	1.1
59.04985	0.6
61.02922	4.1
63.78459	0.4
67.05508	2.7
69.03432	2.4
69.07068	0.7
71.04996	2.1
73.02908	2.4
74.38213	0.4
74.88106	0.4
79.05497	2.5
83.04990	1.2
83.08624	1.4
84.11327	0.4
84.77174	0.5
85.02897	6.7
87.04483	0.7
91.03938	2.6
91.05480	3.3
93.07037	2.4
93.40856	0.4
95.04980	2.2
95.08607	1.3
97.02897	4.2
97.06544	0.6
99.04474	1.1
101.02383	2.0
105.07053	2.7
107.04974	0.8
107.08588	1.0
109.02835	0.7
109.06557	0.6
111.08109	0.9
117.06950	0.5
119.08602	1.6
121.10171	2.2
122.38820	0.4
127.03926	1.4
129.06996	1.5
131.08575	1.8
133.10149	1.7
142.99699	0.4
145.04974	0.6
147.11667	2.1
149.09650	2.1
156.59575	0.4
157.10150	1.5
175.11241	1.6
193.12289	2.7
197.15369	0.5
211.13338	0.7
225.14865	0.5
243.08447	2.4
251.12601	0.7
267.16006	1.0
283.15201	3.4
287.05597	0.6
339.17877	1.4
414.16855	0.5
469.20441	8.8
501.23065	9.4
531.61725	0.5
729.36621	100.0
730.36926	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	728.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	27.0
56.96576	10.9
57.03418	26.4
58.28006	10.6
67.05500	90.4
69.07063	23.9
70.55163	12.0
71.04966	14.0
79.05493	82.7
81.03374	13.0
81.07053	51.9
91.05484	70.1
93.07050	98.0
95.04956	25.0
95.08595	45.9
97.02854	14.4
97.06519	13.1
98.21532	22.9
105.07026	63.7
107.08570	44.0
109.10167	24.7
117.06992	16.8
119.08574	62.1
121.10079	26.2
128.10701	10.9
129.06998	12.1
129.30685	13.0
131.08531	17.2
133.10109	45.2
135.11682	67.1
145.10045	26.0
147.11693	32.4
159.11717	21.3
161.13278	17.2
175.14793	14.1
181.12245	13.0
184.07326	51.2
190.47179	11.4
200.97467	11.1
241.19463	29.4
243.09076	10.9
245.29425	12.8
253.14482	19.6
255.15941	100.0
257.06860	25.8
259.20645	54.0
272.71735	12.1
333.24234	50.8
439.32278	15.1
513.35602	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36766	0.3
53.03945	0.4
55.01861	0.6
56.38442	0.3
66.54794	0.3
68.99788	1.0
69.03412	0.3
70.03687	0.7
70.04102	1.0
81.03413	0.8
81.07062	0.3
88.29228	0.3
88.30920	0.3
90.40791	0.3
91.05501	0.3
91.23845	0.2
95.04925	0.4
95.59981	0.3
111.00775	0.3
111.04398	0.3
119.04937	0.3
121.02872	0.5
123.04422	5.9
127.03905	2.0
137.02332	9.1
137.03311	0.4
139.03900	4.2
143.04892	0.4
147.04401	1.9
149.02327	1.9
151.03847	0.3
153.01830	2.5
157.06477	0.4
161.05974	1.0
163.03847	0.7
165.05493	0.4
165.56520	0.3
167.03355	0.3
169.06441	0.6
171.04373	0.5
175.03958	0.8
177.01842	0.6
179.03331	0.5
183.04436	0.4
183.07938	0.3
185.05969	1.2
189.05461	1.4
191.03384	0.3
197.05949	0.5
199.03897	0.9
201.05437	1.0
203.03325	1.5
213.05481	1.9
215.07112	0.5
217.04863	0.3
227.03418	0.8
229.05042	1.0
231.06487	1.8
239.03311	0.5
241.04881	1.0
243.06477	0.5
245.04422	1.5
247.06056	1.6
253.04886	0.8
255.06558	0.7
257.04465	1.2
259.05963	2.3
269.04428	1.1
271.05981	2.3
273.07556	0.6
281.04538	0.6
283.06039	0.4
287.05484	100.0
288.05789	2.2
299.05484	13.9
300.05948	0.4
303.04559	0.3
311.05310	0.6
317.14749	0.4
323.05325	0.3
379.07791	0.4
407.07501	1.5
419.07895	0.4
421.05383	1.6
425.08658	18.2
426.08936	0.7
433.09058	0.8
437.08618	1.2
481.07498	1.2
541.11713	0.5
559.12067	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	12.4
57.03442	6.0
67.05504	34.9
69.07053	7.7
79.05491	19.3
81.03395	12.2
81.07056	39.3
85.06494	5.4
91.05473	23.8
93.07037	23.2
95.04973	5.0
95.08592	14.0
97.10181	6.0
105.07013	21.6
107.08571	19.7
109.06566	6.1
109.10137	41.4
119.08635	4.8
121.10131	6.3
123.11781	6.2
131.08540	7.5
131.52052	5.1
133.10115	36.2
135.11720	7.4
145.10147	5.4
151.11180	23.7
193.12135	5.9
238.32776	5.1
243.20903	5.3
253.11795	3.5
253.14363	100.0
253.16891	10.4
261.22156	10.4
271.15396	23.9
335.25699	24.6
513.35333	7.7
531.36902	29.4
613.08435	6.8
734.34790	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	728.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06485	1.6
53.03950	1.7
53.53142	1.9
55.01877	6.5
55.05513	9.5
56.87980	1.5
57.03427	8.4
57.07074	2.3
65.03944	1.6
67.05502	46.5
69.07079	15.5
70.00915	9.3
71.04996	4.8
79.05496	27.4
81.03405	5.2
81.07053	48.2
83.04973	5.8
83.08623	6.3
85.02898	2.1
85.06515	4.3
91.05481	32.6
93.07038	28.8
95.04961	3.7
95.08606	21.0
97.02898	2.1
97.06533	5.1
97.10152	2.2
99.04466	2.4
99.08094	2.1
103.09251	1.6
105.07034	25.4
107.08595	30.8
109.06522	3.8
109.10160	49.8
113.06048	2.4
119.08589	5.8
121.10132	8.5
123.11687	8.4
125.44772	2.0
127.07545	3.2
129.06972	1.8
131.08548	7.6
131.78436	1.7
132.00528	1.7
133.09117	3.0
133.10126	53.4
135.11708	6.3
145.10101	3.2
146.91156	1.8
147.11612	2.1
151.11183	25.6
159.11653	2.6
161.09650	2.0
169.12187	3.1
173.13164	2.2
198.33128	2.0
243.20975	2.9
253.14355	100.0
260.23843	2.5
261.22061	9.4
271.15408	24.4
335.25766	43.4
513.35870	2.9
514.44580	2.0
531.36743	48.2
637.95813	1.8
653.22687	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.207
Annotation	Kaempferol 3-xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
53.28832	0.7
55.01863	1.0
57.03422	2.2
61.02909	0.7
69.03424	4.5
71.03011	1.1
71.03355	1.1
71.04989	6.5
75.04453	0.9
76.80420	0.5
82.61000	0.5
83.04978	1.6
84.91962	0.5
85.02428	1.0
85.02898	13.2
87.04462	1.9
95.00202	0.7
97.02887	5.7
99.04439	1.1
109.60458	0.8
111.04427	1.2
115.03922	3.6
121.02861	2.2
127.03916	1.2
129.05475	3.0
133.04947	1.8
139.03876	0.7
145.04932	0.9
147.06458	1.2
153.01782	2.5
165.01796	1.5
213.05415	0.8
225.07538	0.9
258.05267	0.8
261.09799	0.7
287.05484	100.0
288.05945	3.3
303.05054	0.8
311.05475	0.6
329.06567	1.5
331.28827	0.7
391.17303	0.6
431.09854	0.7
449.10526	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2075
Annotation	Kaempferol 3-xylosyl-(1->6)-glucosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
53.03938	0.2
55.05484	0.2
57.03437	1.7
59.04993	0.2
61.02920	0.4
69.03081	0.3
69.03430	4.9
69.49318	0.4
69.49727	1.2
71.01355	0.2
71.04981	1.4
71.11176	0.2
73.02909	1.3
75.04456	0.3
81.03402	0.7
85.02905	6.6
87.04471	2.3
91.03952	0.2
97.02286	0.3
97.02885	4.1
99.04451	0.4
105.03411	0.2
107.04971	0.3
109.02836	0.5
111.00797	0.3
111.04440	0.2
115.03928	2.7
121.02861	1.8
127.03927	1.0
129.05458	0.5
133.02815	0.3
133.04964	2.1
137.02319	0.5
139.03896	0.5
145.04924	0.5
147.04343	0.4
147.06413	0.2
149.02333	0.3
153.01825	3.6
157.06470	0.3
165.01817	1.1
177.05360	0.2
183.02872	0.7
189.05386	0.2
197.06046	0.2
201.05472	0.2
203.03450	0.3
210.70889	0.2
213.05481	0.8
231.06532	0.3
241.04915	0.6
258.05209	0.8
259.06018	0.4
269.04300	0.2
287.05490	100.0
288.05835	3.5
299.05389	0.3
311.05472	0.3
317.06528	2.2
325.07129	0.3
329.06549	1.1
353.06442	0.4
419.09634	0.6
433.11310	7.6
434.11362	0.2
439.60529	0.2
449.10995	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2074
Annotation	Kaempferol 3-xylosyl-(1->6)-glucosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
55.05520	0.4
57.03429	2.8
57.33929	0.4
61.02914	1.1
69.03427	4.0
71.03012	0.9
71.03394	0.4
71.04992	8.8
73.02897	1.7
75.04459	0.7
81.03368	0.6
83.04964	1.6
83.23382	0.4
85.02902	15.0
87.04452	1.4
91.03965	0.5
95.04961	0.5
97.02365	0.5
97.02895	5.0
99.04462	0.7
101.57198	0.4
111.04440	1.2
115.03916	3.7
121.02847	2.8
127.03869	1.0
129.05467	3.3
133.04974	2.3
137.02312	0.5
139.03896	0.7
145.04906	0.7
147.06520	2.0
153.01804	2.2
165.01819	1.6
171.06471	0.8
183.02876	0.6
185.05844	0.4
213.05466	1.2
225.07523	0.7
231.06500	0.7
243.08719	0.8
258.05151	0.9
261.09689	1.3
287.05481	100.0
288.05826	3.3
299.05453	1.6
329.06516	1.2
383.07404	0.5
419.09454	0.6
449.10751	1.7
530.89526	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.6
55.01871	5.6
55.05515	27.6
57.03424	22.2
61.02931	28.9
65.03928	7.0
67.05167	6.7
67.05506	76.8
69.03426	16.1
69.07050	30.4
71.04994	11.0
71.58430	4.7
71.58853	7.3
73.02896	12.7
79.05491	75.5
81.03408	23.5
81.07063	83.3
83.04981	14.4
83.08608	14.0
85.02911	42.0
85.06548	7.2
91.03980	29.4
91.05483	71.3
93.07047	100.0
93.22205	5.3
95.04965	22.7
95.08594	37.4
97.02909	29.8
97.06530	19.9
99.08105	6.1
105.07024	65.0
107.04960	12.0
107.08595	54.8
109.06493	8.5
109.10149	17.9
111.08067	12.5
117.07011	21.4
119.08591	47.0
121.06476	7.9
121.10152	45.6
123.08118	7.8
125.09640	7.4
127.03900	12.5
129.07001	12.2
131.08609	30.0
133.10117	41.2
135.11682	28.9
137.09677	4.9
143.08522	9.1
145.04939	15.3
145.10141	19.9
147.11705	30.8
149.09659	13.6
149.13261	26.7
157.10101	9.7
159.11696	27.3
161.13254	16.7
163.06102	6.8
163.11232	9.1
171.11702	12.3
173.13316	12.9
177.12740	13.8
184.07422	5.8
185.13321	8.8
195.13783	15.0
199.14787	7.7
211.13377	6.7
218.46992	5.7
241.19441	16.6
259.20609	38.2
267.15927	9.4
269.17517	89.9
275.20065	12.0
276.85135	5.0
281.17654	5.8
349.23877	24.6
351.25320	74.7
448.29556	5.3
461.28818	8.5
486.70932	5.6
564.32397	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	726.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
55.01878	2.0
55.05520	13.1
57.03437	16.3
57.07058	2.0
61.02930	2.1
65.03933	3.0
67.05504	65.6
67.09487	1.2
69.03410	1.9
69.07069	21.8
70.75803	5.2
71.04987	4.7
79.05490	40.2
81.07053	79.4
83.04982	5.0
83.08611	13.9
85.02901	3.4
85.06530	4.5
91.03944	1.4
91.05475	20.7
93.07043	62.3
95.04977	6.2
95.08604	36.6
97.06526	9.1
97.10159	2.3
99.08083	1.8
105.07027	11.1
107.08594	31.2
109.06503	1.8
109.10151	9.6
110.11166	1.2
111.08093	6.7
112.50036	1.3
117.07014	7.6
119.08578	8.2
121.10143	25.1
123.08089	2.0
123.11689	5.2
131.08560	8.8
133.10101	8.8
135.11697	12.2
137.13281	2.3
145.10132	4.4
147.11716	3.7
149.13252	28.4
159.11694	13.4
161.13240	2.3
173.13289	2.5
177.12755	5.3
187.14848	1.3
195.13803	10.8
213.14854	1.3
224.33543	1.3
243.21301	2.2
261.22049	9.0
267.15970	1.8
269.17471	100.0
270.17856	2.4
315.52444	1.3
317.24625	1.5
335.25769	54.3
336.25909	1.6
404.41599	1.5
529.38855	82.6
530.39056	7.3
547.39856	2.7
593.48499	1.3
624.59784	1.4
726.44489	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	725.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
54.38096	0.7
55.01874	0.9
55.05508	3.3
57.03433	3.3
59.04980	1.2
59.72344	0.7
61.02932	4.6
61.64672	0.7
64.38539	0.7
67.05512	8.2
68.05844	1.0
69.03436	2.4
69.07066	1.6
71.04986	2.4
71.58698	0.7
73.02918	3.1
76.37307	0.8
79.05492	6.8
81.03422	6.1
81.07049	6.5
82.07360	1.0
83.04977	1.1
83.08617	2.3
85.02916	4.8
85.06564	0.9
87.04489	1.2
91.03929	3.5
91.05494	5.6
93.07052	6.3
95.04978	3.1
95.08624	2.8
97.02903	4.0
97.06569	1.8
99.04454	1.6
101.02380	1.3
105.07021	5.7
107.04960	1.2
107.08583	3.8
109.10181	3.1
111.08082	1.5
119.08601	2.8
121.10158	2.1
125.09634	1.4
127.03906	1.6
129.07028	1.2
131.08591	2.8
133.10123	1.5
145.10138	1.1
147.11732	2.9
149.09673	2.1
157.10110	1.2
181.12218	1.0
229.14516	1.2
230.14760	0.9
243.08469	3.1
269.17532	1.8
283.15100	2.2
339.17740	1.0
356.02771	0.9
362.21082	0.8
423.27472	1.0
424.28107	3.8
465.20981	8.0
501.23068	10.1
687.63678	0.8
725.37177	100.0
726.37524	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	726.39
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.6
55.01859	8.5
55.05507	23.8
57.03446	18.4
57.07080	4.2
61.02930	13.1
64.02434	1.9
67.05505	61.8
68.05840	2.6
69.03433	11.6
69.07062	22.1
69.59724	4.3
69.60126	13.6
71.04990	4.8
73.02914	6.0
75.31059	1.8
79.05492	45.3
80.05832	2.5
81.03412	40.4
81.07054	67.2
82.03748	3.8
83.04982	13.9
83.08615	17.7
85.02906	23.4
85.06550	4.7
86.09718	2.5
91.03950	7.5
91.04963	3.2
91.05480	36.0
93.07044	50.0
95.04967	22.7
95.08601	28.2
97.02890	13.3
97.06523	17.5
97.10172	7.4
98.20753	3.5
99.04456	3.6
99.08088	3.1
105.07031	27.3
107.04919	10.3
107.08587	30.7
109.06534	7.9
109.10178	13.6
111.08094	9.0
117.06998	17.5
119.08578	23.5
120.08850	2.3
121.06508	6.0
121.10124	18.1
122.10522	2.3
123.08034	3.2
123.11741	4.2
125.09616	7.8
127.03946	6.2
128.06207	2.3
129.05486	3.5
129.07001	9.0
131.08574	17.0
133.06541	2.1
133.10129	22.4
135.08076	4.2
135.11703	16.5
137.05991	2.6
137.09627	3.9
143.08554	4.7
145.04979	4.6
145.06451	2.5
145.10106	15.7
147.08087	3.8
147.11653	10.0
149.09642	9.9
149.13290	17.4
151.11105	2.0
155.08549	2.3
157.10187	7.8
159.11720	21.0
161.13245	5.8
163.05991	3.8
163.11256	10.0
163.66228	2.2
173.04477	2.9
173.11745	2.8
173.13263	4.5
175.11168	6.3
177.12712	22.4
179.14290	7.3
181.12260	3.6
183.11658	3.0
189.11253	2.6
193.12180	9.6
194.12540	3.9
195.13803	8.5
211.13356	3.1
213.14828	2.9
227.12770	3.3
229.14349	7.6
239.17931	3.0
251.16472	5.9
255.15910	43.5
257.18994	7.9
267.09045	2.3
267.15875	17.2
268.16144	11.3
269.17474	100.0
275.20056	24.1
285.10114	5.2
285.17014	7.5
293.21152	2.7
309.20703	3.3
349.23721	56.6
350.23801	2.3
367.24887	24.3
373.17249	1.9
413.21603	5.7
433.26050	3.3
459.27383	4.7
460.27536	5.0
461.28046	13.7
477.28149	3.4
478.28625	2.8
479.29089	8.2
511.29053	9.7
529.29297	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	7.2
55.05508	31.1
56.01036	5.4
57.03431	10.1
57.08744	5.3
65.03931	8.7
65.79705	5.1
67.05504	83.7
69.03411	15.4
69.07053	25.8
69.91332	23.5
71.05006	28.9
79.05484	51.8
81.03407	25.7
81.06645	8.3
81.07063	100.0
83.04960	22.6
83.08615	12.8
91.04991	6.0
91.05473	41.5
93.07047	52.7
95.04950	9.1
95.08604	52.6
95.87841	5.7
97.02886	7.0
97.06507	14.0
97.10170	6.8
98.21531	6.4
102.24435	6.2
105.07043	31.8
107.04929	7.9
107.08607	26.9
109.10140	27.6
116.47236	5.4
117.06985	11.0
119.08564	13.8
121.10147	17.9
123.11713	20.5
129.07034	8.5
131.08562	19.0
133.10115	21.1
135.11679	16.7
145.10147	10.5
147.11676	13.7
149.13214	10.2
157.10112	12.6
159.11629	9.2
173.13269	6.7
175.11130	6.8
187.13379	9.2
198.67430	5.4
208.96948	7.0
244.96677	5.0
269.17349	9.0
284.63770	5.4
289.21121	5.9
335.25867	7.2
429.54361	6.4
503.37274	30.8
505.38608	32.0
561.41467	13.5
585.54071	6.9
611.46436	7.5
637.40820	8.1
723.46069	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	724.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.1
55.05513	6.6
57.03434	6.9
65.03933	0.8
67.05171	1.2
67.05505	15.5
69.03416	1.8
69.07073	7.0
70.21369	2.1
70.21782	1.2
71.05005	3.7
73.02875	0.8
79.05067	1.1
79.05494	11.6
81.03419	35.6
81.07058	31.6
83.04986	4.4
83.08620	9.9
85.02905	1.7
85.06525	2.5
91.05481	15.7
93.07048	8.4
95.04376	0.9
95.04973	12.1
95.08604	9.0
97.02869	2.3
97.06520	3.0
97.10177	1.7
99.08102	1.6
100.96539	0.7
105.07027	17.4
107.04930	3.7
107.08602	8.8
109.02889	0.8
109.06503	2.5
109.10134	2.8
109.55833	0.6
111.04433	1.2
111.08088	4.1
111.96571	0.7
113.05994	0.7
117.06991	0.9
119.08589	13.7
121.06496	1.5
121.10154	9.5
123.04389	0.9
123.08065	2.7
123.11703	9.5
125.09596	0.9
127.07519	1.5
129.07040	3.8
131.08560	5.0
133.06479	1.8
133.10146	4.1
137.13281	1.1
142.07828	0.8
145.10164	1.7
147.08052	1.7
147.11693	28.9
148.07486	0.8
148.11990	0.7
149.09616	2.6
151.11127	0.8
157.10168	6.2
161.09598	0.8
163.11203	2.6
165.12767	11.3
175.11238	5.1
183.13779	1.5
183.85640	0.7
188.39957	0.7
191.10606	0.7
193.12236	13.1
209.11777	1.6
211.13414	3.3
229.14369	2.7
249.14796	0.9
264.15875	1.4
267.15918	100.0
268.16318	1.6
269.17499	0.8
283.15524	1.5
285.16968	35.4
314.96396	0.9
338.19516	0.8
385.23438	1.0
459.27466	6.4
463.29919	0.8
474.32431	0.8
477.28473	46.7
478.28580	0.9
495.29239	1.9
519.29425	1.5
544.32843	0.9
666.65515	0.8
703.48700	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64953	1.0
52.24715	1.1
52.27996	1.1
54.88743	1.3
55.01866	2.6
55.05505	12.2
57.03197	1.3
57.03438	13.9
65.03924	2.2
67.05504	18.6
69.03427	2.9
69.07056	3.9
71.04984	3.7
76.82328	1.2
79.05488	21.5
81.03416	93.4
81.07054	22.4
83.04980	11.3
83.08145	2.0
83.08617	28.2
85.02901	12.7
91.05480	26.3
93.07037	14.9
95.04967	30.8
95.08603	7.7
97.02879	2.7
97.05235	1.1
97.06517	2.0
97.10159	10.1
99.08116	1.4
105.07025	17.7
107.04951	9.1
107.08625	6.7
109.06515	5.5
109.10188	6.0
111.04430	2.7
111.08102	10.3
113.06037	1.6
115.05454	1.8
117.07045	2.1
118.77023	1.2
119.08576	18.1
121.06491	3.9
121.10115	6.1
123.04361	1.3
123.08045	3.4
123.66450	1.2
125.09594	3.6
129.06990	12.3
131.04881	1.9
131.08565	13.2
133.06468	4.1
133.10126	9.3
137.09550	1.4
142.07806	2.5
143.08595	1.8
145.06477	3.3
145.10107	2.2
147.08025	5.6
147.11661	11.6
149.09648	6.6
151.11176	1.1
155.08591	1.6
157.10118	15.8
159.11655	1.7
163.11095	1.7
165.12723	2.9
171.08015	2.1
171.11644	1.8
175.11185	15.5
193.12233	35.5
211.13266	15.6
215.14253	1.3
229.57623	1.6
249.14815	2.1
249.71397	1.2
255.13834	1.7
267.15906	100.0
268.16269	2.0
273.14874	4.9
285.16962	13.8
301.14343	1.6
349.21518	4.9
367.22696	9.9
385.23743	16.0
394.09747	1.2
403.24600	3.6
410.64447	1.5
415.24670	1.3
433.25821	13.6
441.26245	5.4
459.27374	67.3
460.27902	3.5
477.28479	44.0
478.28598	2.1
615.69696	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.0
53.03940	0.9
53.27988	0.7
55.01864	2.2
65.03938	2.9
66.46767	0.7
67.05486	2.2
68.99779	6.4
70.77238	0.8
71.58186	0.8
72.44126	0.8
77.03910	0.7
79.05495	1.5
81.03411	2.9
89.03930	1.6
91.05480	8.2
95.04959	2.8
97.02871	1.5
99.04469	1.0
105.03379	1.1
107.04946	4.0
109.02881	2.9
111.00800	3.8
111.04443	5.8
115.05449	1.7
119.04928	14.8
121.02829	2.3
123.04423	100.0
124.04810	0.8
127.03910	90.5
131.04910	2.7
135.04408	34.9
137.02325	4.1
137.05997	1.3
139.03894	62.3
140.04340	0.7
141.07043	1.0
143.04948	1.3
145.02827	1.0
145.06509	1.1
147.04404	50.1
149.02374	4.2
149.05975	1.8
151.03897	15.8
153.01814	1.1
154.96118	0.9
155.04915	1.4
157.06544	0.8
159.04405	3.2
161.05986	2.8
163.03897	38.4
165.05499	3.1
167.03395	6.9
169.06514	2.6
173.05986	3.1
175.03914	5.4
177.05475	5.1
179.03416	5.1
181.04915	1.3
181.06441	1.2
183.04434	1.3
183.11911	0.7
185.05997	1.3
187.03883	6.4
189.05446	4.4
191.03389	12.2
193.04938	4.3
197.06013	3.2
201.05460	9.6
203.03346	12.3
203.07034	2.1
205.04950	3.6
213.05414	2.0
215.03348	1.5
215.07033	3.1
217.04964	1.8
219.06717	0.8
225.05527	2.2
229.04941	9.2
231.06526	2.4
233.04404	4.6
241.04991	1.7
243.06522	5.1
245.04425	8.3
247.05992	21.6
251.05531	1.7
253.04977	1.7
255.06598	2.4
257.04434	11.1
259.06030	8.1
261.07681	1.8
265.05066	0.8
269.04486	4.8
269.22336	0.7
271.06015	19.0
273.07565	9.5
275.05420	12.8
283.05942	8.8
285.07407	1.8
287.05487	27.5
289.07074	11.3
299.05679	4.3
299.08749	1.1
301.03882	1.2
301.07071	13.2
315.08655	1.0
331.38562	0.9
343.08463	0.8
379.26315	0.8
391.08026	2.2
393.09720	2.4
409.09161	22.5
421.09106	3.2
427.10220	3.7
435.11215	1.1
435.16895	0.9
439.10178	0.9
561.14105	1.0
662.54431	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.7
55.05502	21.2
55.61190	5.3
57.03434	11.7
59.16541	5.6
67.05503	74.3
69.07069	13.3
69.35865	70.3
79.05489	73.4
81.03415	11.0
81.07060	63.3
83.04971	16.1
83.08658	8.0
91.05479	65.5
93.07056	67.2
95.04968	26.8
95.08628	46.9
98.21513	12.2
105.07028	34.3
107.08599	34.9
109.10173	17.7
117.07001	10.4
119.08565	18.1
121.10154	25.2
129.06998	13.4
131.08559	10.0
133.10121	12.4
135.11705	12.6
145.10092	11.3
147.11673	20.8
161.13254	9.7
171.11732	16.9
189.12735	7.8
207.13863	17.0
216.22995	6.9
261.22098	11.4
281.17459	40.1
335.25885	60.0
378.98312	6.4
435.63477	7.0
541.38800	100.0
624.29309	8.0
674.19446	7.6
692.56537	7.1
721.50385	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	723.337
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	0.8
66.04734	1.0
67.05520	1.6
71.02074	0.6
71.58402	1.0
72.28008	0.8
72.28439	0.6
73.47259	0.6
79.05468	2.5
81.03405	1.4
81.07053	2.1
85.02911	1.3
87.04442	0.6
90.65044	0.7
91.05493	3.2
93.07042	1.1
94.04193	4.5
95.04958	2.1
95.08608	1.0
97.02894	1.1
103.05475	6.1
105.07020	3.8
107.04920	1.4
109.06499	1.7
115.05407	1.2
117.07020	1.4
119.04925	0.7
121.06487	1.6
121.10177	0.8
122.03649	10.1
123.04424	1.6
128.06181	1.5
129.06987	1.2
130.86078	0.6
131.04933	9.8
131.08539	1.3
133.06485	2.4
133.10121	1.0
135.04387	1.8
135.08047	0.8
137.05980	100.0
138.06311	1.1
139.03958	0.8
143.08543	2.4
145.06487	2.4
145.10161	0.9
147.04395	1.5
147.08032	2.0
149.06053	0.9
151.07544	8.3
153.06972	0.8
157.06541	1.0
159.08044	1.4
160.05194	1.0
161.05940	1.7
163.06285	1.3
163.07550	16.4
165.09157	2.7
167.07060	0.7
167.33235	0.7
171.08102	2.4
174.06844	0.7
175.07547	3.8
177.05566	0.8
177.09085	2.2
181.06302	0.9
183.35730	0.8
187.07484	3.1
188.08240	1.0
189.09096	2.5
191.10770	1.1
195.08167	0.7
201.09129	0.9
203.10616	5.1
207.08072	1.1
211.07501	1.4
221.09660	0.7
221.11794	0.7
225.09163	1.3
235.07535	2.2
237.09160	1.1
239.06975	1.6
241.08670	2.0
248.08377	1.2
249.09030	1.5
251.06950	0.8
254.32240	0.7
255.10304	1.3
261.09274	1.4
263.10449	0.7
265.08475	1.2
267.10190	1.6
269.12079	0.8
271.09686	3.6
273.11206	2.5
279.10010	1.7
281.11554	1.3
285.11453	0.9
287.05740	1.0
293.11819	1.7
295.13321	1.0
297.11115	0.8
299.12735	2.3
305.11938	0.9
315.55206	0.8
325.14386	1.3
397.14236	0.9
425.17206	1.5
429.17163	3.3
457.20029	2.2
461.19620	5.0
489.22815	0.9
513.22522	0.9
587.24133	0.8
619.25970	1.1
651.29163	0.8
666.83179	0.8
723.37720	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	723.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01698	2.9
52.29823	3.4
53.03939	7.7
55.01855	10.0
55.05302	3.1
55.05511	33.0
55.24659	3.5
56.79684	3.1
57.03428	12.7
57.28545	2.9
61.02928	4.7
65.03925	5.1
67.05500	100.0
69.03423	17.6
69.07065	32.9
69.48472	27.2
71.04989	9.3
71.08621	13.4
72.06104	2.9
74.14420	3.0
79.05058	5.7
79.05491	71.3
81.03423	49.7
81.07051	94.2
83.04964	16.3
83.08618	21.0
85.02923	15.0
85.06538	8.2
91.05475	68.2
93.07037	77.5
95.04974	24.5
95.08607	56.0
97.02878	18.6
97.06519	12.7
97.10173	9.3
99.04462	6.0
99.08106	10.2
103.05479	3.1
105.06383	6.0
105.07027	63.1
107.04935	10.5
107.08597	40.3
109.02859	7.5
109.06492	5.7
109.10155	45.3
111.04430	6.9
111.08086	11.1
115.05473	4.1
117.06999	15.3
119.08574	51.8
121.06469	3.9
121.10133	41.8
123.08103	5.3
123.11717	10.7
123.70399	3.7
125.09644	8.7
127.03907	11.2
129.07016	12.0
131.08563	22.4
133.06456	3.5
133.10124	28.2
135.11685	23.5
137.09538	4.9
141.06915	4.1
141.09146	3.0
143.08592	7.4
145.10089	17.0
147.08110	3.7
147.11688	41.8
149.09537	4.4
149.13219	15.4
153.12717	3.1
157.10135	14.1
157.21420	3.0
159.11697	13.8
161.13295	15.2
163.11238	8.7
165.12711	9.5
171.11778	3.8
173.11745	12.0
173.13277	8.9
175.11206	5.3
175.14743	3.4
177.12726	5.6
179.14279	36.3
184.07347	3.2
185.13374	5.4
193.12192	15.1
211.13322	21.7
229.14401	8.8
241.19463	12.3
259.20587	23.9
261.22070	3.9
267.15814	24.8
275.20105	7.5
277.21634	34.1
285.16946	28.7
288.96292	3.5
333.24222	16.8
351.25388	20.0
413.17487	4.5
429.21078	17.6
489.35736	34.5
543.36603	29.7
561.38068	15.3
637.31561	12.0
669.40039	5.5
705.41913	17.4
722.57184	3.8
723.39514	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	721.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99124	1.6
53.03942	7.4
55.01858	5.8
55.05511	25.5
57.03441	10.3
57.07072	4.4
58.37009	1.7
60.99731	1.8
61.02915	5.0
65.03925	3.2
67.05505	86.0
69.03429	17.2
69.07065	27.9
71.01372	3.2
71.04993	26.8
73.02899	4.1
79.05061	3.7
79.05496	54.0
79.14525	1.7
81.03423	34.2
81.07057	100.0
82.07413	2.2
83.04980	11.8
83.08623	15.9
85.02908	11.5
85.06534	9.1
91.03915	2.6
91.05476	58.6
93.06470	3.6
93.07041	57.2
95.04973	15.4
95.08610	40.8
97.02895	11.6
97.06529	11.7
97.10163	4.5
99.04444	6.2
99.08092	3.0
105.07031	45.6
107.04967	4.9
107.08597	39.1
109.02874	6.4
109.06512	6.4
109.10168	16.2
111.04465	2.8
111.08102	2.6
115.05449	3.6
117.07010	19.0
119.08571	31.3
121.06496	5.7
121.10128	24.9
123.08065	3.9
123.11680	11.2
125.09602	3.3
127.03924	5.1
128.06218	5.8
129.05502	3.7
129.07004	15.2
131.08563	33.8
133.06471	2.4
133.10124	36.3
134.10446	2.0
135.08058	5.0
135.11682	17.7
137.09578	2.5
137.13260	2.6
139.11192	2.3
141.07037	4.7
142.07797	3.0
143.08546	18.9
145.06546	2.2
145.10109	27.4
147.08015	3.3
147.11714	23.2
148.48091	1.8
149.09601	5.8
149.13274	11.0
151.11156	4.7
153.12773	2.4
154.07835	1.9
155.08565	9.0
157.10109	18.8
159.08087	2.4
159.11679	25.0
161.13260	12.3
163.11105	2.3
163.14848	4.0
165.12672	3.1
167.08627	3.8
169.10103	11.4
171.08022	2.9
171.11676	16.8
173.04489	12.5
173.13261	14.7
175.11157	5.2
175.14835	5.2
177.12698	2.8
179.08577	2.0
181.10092	6.4
183.11688	9.9
183.13712	2.0
185.13193	11.6
187.13341	5.2
187.14813	5.8
189.12711	2.2
193.10240	3.5
193.12277	5.2
195.11705	7.0
197.13289	8.7
199.11140	2.3
199.14822	5.7
201.12758	2.6
201.14767	1.9
207.11807	3.1
209.13269	4.6
211.14915	4.7
213.16399	3.5
223.14885	3.2
225.16557	2.3
227.16414	3.9
239.17934	2.5
241.19514	8.1
243.15912	6.9
243.21017	2.4
257.19156	2.9
259.20706	16.6
261.22095	7.4
267.15900	5.5
267.21207	1.9
269.17447	3.3
273.18719	2.6
275.20120	3.7
277.21729	3.4
285.16867	2.7
285.22079	3.1
293.64478	1.9
297.22076	2.9
303.23138	2.8
313.21820	2.6
315.23260	3.6
317.24930	3.4
333.24200	7.8
335.26016	3.4
351.22971	2.2
358.72342	2.0
367.22641	2.8
369.24481	3.2
393.31470	3.0
411.32675	3.6
413.21439	3.8
435.32553	5.7
453.33768	4.5
471.34814	3.7
485.36002	4.9
501.35861	19.7
503.37332	53.1
509.36169	2.7
517.38654	5.2
527.37329	52.4
533.38159	3.7
541.35309	6.0
545.38153	6.0
559.38641	3.9
569.37720	3.7
575.38855	2.3
635.38959	3.5
653.40082	4.7
667.41931	3.9
671.40894	4.8
685.42828	3.2
689.42261	9.2
703.42029	6.2
721.45203	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	13.3
55.01862	14.3
55.05274	3.7
55.05512	37.5
57.03431	14.5
57.07064	3.5
61.02916	6.2
65.03944	5.5
67.05505	67.0
69.03436	21.2
69.07064	26.2
71.01351	2.8
71.04999	12.9
73.02907	3.3
79.05492	73.7
79.78188	2.4
81.03418	100.0
81.07056	75.0
83.04977	26.7
83.08616	29.0
85.02910	21.9
85.06519	4.4
85.52901	2.5
91.03973	3.5
91.05478	63.5
91.06013	4.4
93.07043	52.2
94.07371	2.6
95.04977	32.6
95.08606	38.2
97.02898	25.0
97.06535	16.5
97.10174	8.7
99.04434	7.3
99.08118	5.4
103.05499	4.1
105.06390	3.7
105.07036	53.9
107.04955	20.7
107.08588	35.7
109.02877	11.6
109.06506	16.5
109.10143	18.2
111.04460	14.1
111.08065	10.3
117.07027	24.0
119.08575	43.4
119.09370	4.6
121.06487	8.3
121.10145	24.8
123.04404	5.9
123.08071	10.9
123.11730	8.5
125.09627	13.9
127.03920	10.6
127.07708	2.4
128.06157	4.7
129.05518	4.4
129.07033	20.2
130.07668	2.2
130.81808	2.5
131.04945	2.6
131.08549	29.3
133.06477	5.8
133.10112	31.6
135.08051	9.4
135.11673	11.6
137.09622	6.4
141.06963	5.3
143.08582	10.8
145.06500	6.6
145.10110	25.3
147.08032	7.0
147.11678	28.5
149.09631	18.7
149.13263	3.0
151.11116	3.1
155.08572	8.6
156.09467	2.6
157.10143	18.7
159.08047	4.8
159.11690	16.1
161.09601	5.2
161.13252	6.5
163.11180	8.7
165.12778	8.5
169.10112	5.9
171.11717	10.5
172.11954	2.6
173.04460	16.3
173.09543	4.2
173.13239	5.8
175.11226	8.6
177.12810	4.5
179.08495	3.3
181.10089	3.8
181.11932	2.9
185.13292	2.9
187.11212	4.0
189.11189	5.4
191.10677	3.3
193.12245	30.0
195.11713	2.6
197.13348	5.4
207.12027	3.7
207.13864	3.4
209.13335	3.2
211.13263	28.9
219.17265	2.5
227.12836	7.7
229.81161	2.6
239.18129	3.7
247.20555	3.6
257.19067	7.6
259.20599	4.4
267.15915	20.6
273.18533	3.9
275.20087	53.9
285.16919	12.8
291.19669	3.3
293.20959	7.3
315.23148	2.6
349.23746	27.4
373.23288	3.3
383.22025	4.2
419.24020	2.8
429.21133	7.4
430.25998	2.8
431.29004	3.1
449.30573	3.4
474.29266	6.5
523.33484	2.8
541.35132	28.9
559.36340	24.9
623.34058	4.4
703.40497	15.6
721.41138	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	721.416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	14.1
55.01875	19.2
55.05512	37.2
57.03446	15.9
61.02913	4.8
65.03941	7.8
67.05506	86.5
69.03427	26.0
69.07063	28.8
71.04984	16.1
71.59453	4.2
73.02883	3.5
79.05495	82.2
80.05820	5.3
81.03417	100.0
81.07058	81.5
82.03741	4.1
83.04981	29.7
83.08617	32.6
85.02900	20.5
85.06547	8.9
91.05486	83.1
92.05804	8.0
93.07047	65.1
95.04976	46.4
95.08617	44.4
96.09018	3.5
97.02903	20.1
97.06536	22.3
97.10173	14.1
99.04462	4.9
105.07034	69.4
106.07345	4.2
107.04960	27.6
107.08611	40.2
109.02900	14.8
109.06532	19.5
109.10152	24.9
111.04433	7.4
111.08083	11.0
115.05474	5.7
117.07009	23.9
119.08591	51.3
120.08971	4.6
121.06517	12.2
121.10144	23.1
123.08081	8.4
123.11723	7.1
125.09666	11.2
127.03915	12.2
128.06230	3.9
129.05455	6.7
129.07008	20.8
131.08571	43.7
133.06503	6.9
133.10133	35.4
135.08090	9.6
135.11710	10.7
137.09593	5.5
141.06975	3.6
142.07805	4.5
143.08551	12.7
145.06403	4.9
145.10132	28.5
147.08066	11.0
147.11694	35.3
149.09610	21.4
154.13159	3.4
155.08597	8.7
157.10138	13.5
159.08133	3.1
159.11647	18.8
161.09604	3.8
161.13316	8.1
163.11185	10.4
165.12761	4.3
169.10147	8.0
171.11728	12.8
172.12163	3.1
173.04483	11.4
173.11844	3.5
173.13345	6.9
175.04352	3.7
175.11279	11.1
177.12778	4.2
181.10132	5.1
183.11636	5.8
187.11215	5.9
187.14873	4.5
189.11226	9.8
189.12817	4.6
193.12268	26.3
195.56416	3.2
197.13304	4.3
207.13760	8.0
208.14151	4.8
211.13258	28.4
227.12770	10.9
229.14351	4.3
247.20656	6.9
257.19025	12.8
265.14810	3.2
267.15912	40.4
268.16251	10.4
273.18500	7.5
275.20044	60.6
281.17517	27.8
282.17911	20.6
285.17026	14.2
293.21030	6.1
299.20044	4.9
313.21878	4.8
349.23868	28.0
429.20993	9.0
449.30701	5.1
467.31473	5.4
473.28973	18.0
474.03235	3.2
474.29419	58.9
541.35358	37.4
559.36536	27.2
703.39960	14.3
721.40582	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	721.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46067	3.6
53.03947	15.9
55.01869	31.3
55.05513	35.0
57.00897	3.0
57.03435	14.7
57.07074	6.8
59.05004	4.3
61.02942	3.9
65.03937	5.6
67.05509	89.0
69.03428	35.1
69.07069	39.6
71.04989	15.2
71.32379	3.0
71.32744	5.0
79.05497	72.3
81.03418	98.7
81.07059	100.0
83.04984	33.7
83.08625	26.9
85.02892	19.7
91.05482	83.1
91.06017	6.9
93.07047	69.3
95.04980	39.8
95.08609	51.1
97.02900	26.9
97.06525	37.5
97.10178	13.7
99.04478	7.4
99.08121	9.3
103.05450	4.2
105.07027	88.3
105.07684	6.6
107.04968	25.5
107.08583	40.6
109.02891	11.8
109.06543	14.0
109.10161	23.8
111.04456	15.4
111.08109	14.3
113.05988	3.6
116.06230	3.8
117.07032	28.7
119.08577	56.6
121.06511	12.6
121.10126	33.8
123.08089	8.3
123.11697	7.4
125.09634	11.5
127.03934	13.7
129.05489	4.4
129.07027	22.0
131.08565	31.5
133.06538	6.7
133.10132	50.6
135.08067	10.2
135.11707	15.1
137.09662	6.2
141.06943	7.1
142.07816	4.4
143.08577	10.7
145.10114	31.1
147.08078	6.2
147.11681	28.9
149.09619	23.8
149.13258	8.5
151.11183	4.9
155.08595	9.0
157.10132	17.9
159.11684	19.1
161.09677	6.5
161.13319	6.9
163.11229	15.9
165.12698	4.3
167.08684	3.9
169.10127	7.9
171.11737	10.0
173.04501	9.4
173.13255	7.1
175.11240	15.7
177.12744	8.4
179.14355	7.5
183.11681	4.7
183.38231	3.1
185.09593	3.5
185.13222	6.8
187.11140	4.4
187.14761	5.4
189.11133	3.8
193.12236	27.8
195.13876	4.1
197.13264	4.8
209.13348	4.9
211.13292	32.4
211.15054	5.1
223.32176	3.7
227.12834	10.3
229.19501	4.9
239.18077	4.5
247.20628	4.0
257.19012	10.2
267.15897	20.9
273.18378	8.3
275.20056	80.8
275.22778	6.0
285.17007	9.2
291.19696	6.1
293.21161	6.2
301.07016	11.0
313.21545	5.7
349.23691	33.7
419.69473	3.9
429.21069	15.1
449.66544	3.8
479.30063	4.0
515.34027	4.2
541.35406	42.6
559.36353	39.4
622.14691	4.1
703.40295	29.6
721.37927	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	721.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.2
55.01876	19.3
55.05507	17.2
57.03432	7.4
61.02923	6.1
65.03943	2.9
67.05504	47.8
69.03450	12.6
69.07065	23.7
71.04989	7.7
71.32662	5.1
79.05495	41.1
81.03419	39.5
81.07057	45.9
83.04992	15.3
83.08621	11.8
85.02902	13.6
85.06532	4.0
91.03929	2.9
91.04970	3.7
91.05486	36.8
93.07043	33.3
95.01382	3.6
95.04946	16.5
95.08604	22.5
97.02876	14.8
97.06524	26.1
97.10177	6.7
105.07034	44.8
107.04942	11.2
107.08598	19.3
109.02899	7.2
109.06527	7.9
109.10149	18.0
111.04437	3.5
111.08073	8.3
117.07014	16.7
119.08560	25.7
121.06498	5.7
121.10147	10.8
123.08073	5.7
123.11715	3.4
125.09653	3.7
127.03947	6.9
129.06992	8.8
131.08546	16.4
133.06445	2.4
133.10129	25.4
134.55542	2.5
135.08041	7.3
135.11714	7.2
141.06934	3.0
142.07758	2.9
143.08585	8.1
145.06522	2.3
145.10117	13.5
147.11720	12.6
149.09657	8.1
149.13229	4.5
151.11179	4.7
157.10201	9.7
159.08090	4.4
159.11719	9.5
161.09779	2.9
163.11189	5.0
165.12695	3.1
169.10144	4.1
171.11716	5.7
173.13211	5.9
175.11188	5.0
177.12764	4.0
179.14287	5.6
183.11717	3.2
185.13258	3.0
191.14090	2.8
193.12259	13.6
197.13206	2.8
199.14998	2.2
211.13194	10.9
219.13838	2.5
227.12691	3.8
257.19089	6.4
259.20633	3.0
267.15942	13.9
275.20053	51.2
285.17065	4.0
291.19626	6.3
293.21301	3.8
349.23843	20.0
411.20200	2.7
413.17822	9.5
429.21228	10.5
467.31854	3.4
503.37332	7.8
527.37390	3.6
541.35040	29.4
549.26459	3.8
559.36261	12.1
703.40417	13.6
721.37665	100.0
722.38367	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	721.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.8
55.01867	18.4
55.05511	38.8
57.03435	18.5
57.65112	3.6
62.90341	4.2
64.97738	3.7
65.03935	4.7
67.05506	82.9
69.03416	23.2
69.07064	26.6
71.04991	12.0
71.58734	6.9
71.86595	3.6
79.05496	68.0
81.03417	100.0
81.07059	87.8
83.04982	27.6
83.08611	32.4
84.88764	3.9
85.02919	30.1
85.06560	7.0
91.03958	6.6
91.05486	71.6
93.03419	5.1
93.07043	57.8
95.04959	42.3
95.08595	35.6
97.02911	23.3
97.06535	26.0
97.10175	13.3
105.07021	53.0
107.04939	25.7
107.08614	32.7
109.02856	10.0
109.06512	16.7
109.10154	18.6
111.04443	12.9
111.08108	9.8
111.28909	4.0
115.05457	6.6
117.07021	21.2
119.04909	4.6
119.08566	46.9
119.46826	3.6
121.06531	14.2
121.10136	25.9
123.04482	11.1
123.08117	5.7
123.11685	7.3
125.09628	9.8
127.03927	11.9
128.06265	5.2
129.07001	16.8
131.04926	6.0
131.08583	29.1
133.10120	38.0
135.08076	13.1
135.11681	14.2
137.09677	9.7
139.03970	4.6
141.07008	7.4
143.08572	10.3
145.10138	23.8
147.08064	6.6
147.11673	34.7
149.05971	9.6
149.09618	19.8
151.11165	6.3
155.08615	4.8
157.10173	19.1
159.08081	5.6
159.11650	21.4
161.09581	10.9
161.13329	5.7
163.11185	12.5
165.09109	5.6
169.10156	8.4
171.11743	9.5
173.04454	7.6
173.13210	10.2
175.11200	14.7
177.05537	8.2
181.12257	5.1
183.11754	6.6
189.11139	6.6
193.12254	32.5
209.08115	21.3
211.13327	41.8
227.12781	16.9
227.87521	4.3
248.01274	4.3
257.19055	16.0
267.09286	5.6
267.15900	24.7
275.20062	83.9
283.15488	7.9
285.16983	11.8
293.21173	8.5
349.23627	35.3
450.21945	4.8
475.26736	11.5
493.58511	5.4
541.35461	30.2
559.36511	26.1
703.39838	16.8
721.41010	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	721.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.0
55.01873	6.7
55.05510	23.7
57.03437	35.0
65.03938	5.8
67.01730	3.7
67.05172	6.4
67.05501	60.4
69.07060	24.0
70.06570	3.7
71.04986	7.8
71.32370	8.2
79.05495	65.3
79.05944	3.2
81.07046	60.2
83.04958	5.6
83.08603	12.3
83.24827	3.5
85.06546	7.8
91.05479	88.3
93.07034	63.6
94.07340	4.1
95.04957	15.8
95.08037	5.6
95.08599	42.1
97.06541	8.9
97.10184	4.1
98.51318	3.7
98.98470	22.5
99.08073	8.9
102.27136	3.8
103.05462	3.5
105.07030	82.1
107.04934	6.2
107.08604	41.2
109.06518	14.1
109.10134	14.8
111.08064	9.2
113.09634	4.7
115.05447	6.4
117.07014	58.2
119.08580	53.4
121.06473	4.1
121.10141	21.6
128.06259	6.9
129.07010	28.1
131.08572	57.1
133.10139	27.7
135.08034	8.1
135.11665	9.9
141.07013	6.8
142.07899	3.7
143.08568	25.2
145.10115	40.9
147.08029	5.0
147.11714	20.3
149.02357	7.5
149.09586	15.4
149.13309	4.6
155.01059	4.3
155.08525	12.0
157.10118	25.3
159.11685	30.1
161.09598	3.7
161.13287	10.1
163.11197	8.3
165.09134	4.3
167.08650	4.9
168.09492	3.8
169.10149	12.7
171.11702	18.7
173.13263	18.6
175.14850	6.3
177.12752	5.6
181.10057	4.9
183.11668	12.4
185.13261	34.6
187.11227	4.5
195.11728	7.1
197.13187	7.1
201.16496	5.4
203.14258	15.7
209.13339	6.1
211.14909	6.3
219.17424	31.1
229.19568	4.6
239.17902	12.5
257.18976	32.6
275.20081	66.4
285.07465	5.0
293.21268	5.9
313.21579	6.9
331.22693	10.1
349.23688	28.7
397.29138	4.1
513.37299	5.2
605.41846	16.5
623.33429	5.9
623.42963	100.0
624.43988	5.8
721.57935	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	721.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	9.0
55.01865	23.3
55.05518	42.9
57.03439	25.7
65.03929	4.8
65.67632	3.9
67.05507	87.7
69.03434	32.4
69.07067	27.5
69.51227	33.9
71.04994	15.0
79.05501	61.4
81.03423	100.0
81.07061	80.6
83.04987	26.4
83.08630	28.6
85.02917	22.3
85.06531	4.5
91.05487	67.8
93.07052	62.8
95.04971	34.8
95.08618	40.3
97.02881	23.9
97.06548	24.3
97.10170	14.6
99.04448	7.6
105.07028	66.5
107.04956	24.7
107.08591	42.1
109.02882	15.6
109.06519	13.6
109.10169	26.2
111.04446	12.0
111.08089	11.9
117.07036	24.2
119.08591	48.1
121.06498	10.6
121.10149	29.8
123.04382	5.7
123.08074	10.2
123.11677	5.3
125.09615	18.6
127.03920	13.8
128.06268	5.7
129.06982	21.3
131.08557	30.6
133.06512	8.2
133.10132	32.0
135.08081	10.5
135.11684	15.6
135.81395	3.5
137.09593	8.3
141.06966	8.5
142.07796	4.7
143.08577	14.4
145.06491	4.9
145.10158	25.1
147.08066	5.3
147.11696	33.0
149.09651	21.6
151.11160	5.7
151.53455	3.7
151.92873	3.5
155.08591	7.8
157.10162	17.2
159.11674	16.8
160.49855	3.4
161.13226	6.5
163.11172	11.1
165.07001	5.1
165.12823	5.3
167.08583	4.2
169.10112	10.7
171.11749	5.7
173.04456	13.9
173.13278	7.3
175.11212	15.2
177.12698	6.9
182.10741	4.2
183.11757	7.0
185.13264	6.8
187.11154	7.2
187.14783	4.8
189.11191	7.9
191.10713	5.3
193.12283	37.1
197.13318	5.7
199.11256	4.3
207.11723	4.9
211.13284	43.1
227.12726	9.3
229.14464	6.8
229.19559	4.9
257.19000	13.2
267.15881	31.6
275.20087	72.2
285.17014	15.0
293.21106	7.7
307.32178	3.8
349.23877	21.3
355.22473	5.5
411.20370	4.9
429.21130	8.2
449.30206	5.4
467.31680	5.1
472.55075	4.4
485.33084	4.8
541.35297	43.2
559.36285	37.7
703.39954	11.8
721.40540	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	721.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81115	2.6
53.03955	7.2
55.01863	5.0
55.05508	26.3
57.03440	36.0
65.03922	4.2
67.05166	5.0
67.05505	51.4
69.07065	16.5
70.02357	12.5
71.05003	6.8
79.05059	5.3
79.05493	66.3
81.03407	4.7
81.07054	60.6
82.19392	3.1
83.08623	14.5
85.06539	10.2
91.05482	100.0
93.07040	75.8
95.04974	14.8
95.08607	38.1
97.06512	7.7
98.21407	3.6
98.98478	19.9
99.08101	10.0
105.07036	91.9
107.04955	12.0
107.08599	35.3
109.06498	10.2
109.10147	13.9
111.08053	6.6
113.09588	4.2
115.05466	8.5
117.07018	58.8
119.08584	58.4
121.06519	4.3
121.10153	24.9
123.08035	4.5
125.09650	4.0
128.06224	12.2
129.06987	28.3
130.07813	4.3
131.08569	51.0
133.10133	34.8
135.08063	5.6
135.11710	13.1
137.09618	7.0
141.07004	8.9
142.07773	5.7
143.08578	23.5
145.10135	41.0
147.08044	4.2
147.11676	20.6
149.09618	15.9
149.13271	3.6
151.11121	3.1
155.01060	4.0
155.08575	11.0
157.10121	19.4
159.11700	28.0
161.09610	4.9
161.13260	7.0
163.11169	10.6
167.08594	4.7
169.10159	17.0
171.11720	12.5
173.09648	3.8
173.13271	15.7
175.11198	4.1
175.14751	5.3
177.12735	5.2
179.08655	3.5
181.10141	10.3
183.11705	11.3
185.13264	34.5
187.14909	4.5
189.12759	3.8
193.09995	3.5
195.11726	6.9
197.13298	11.4
199.14764	4.8
201.16385	9.9
203.14322	11.9
207.11769	4.7
209.13332	4.8
211.14909	4.0
213.16443	3.4
215.17912	4.4
219.17430	34.0
222.18706	2.7
223.14944	4.0
229.19568	6.0
239.17972	21.3
257.19049	28.6
273.18546	7.7
275.20087	55.3
313.21552	6.9
331.22818	8.9
349.23755	30.9
368.89252	3.3
513.36932	4.3
519.96783	3.0
529.36096	3.0
549.39233	4.5
551.36896	4.6
605.42267	23.2
623.43109	94.4
624.43622	5.2
703.02673	3.9
703.38983	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	720.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	10.8
56.85828	2.7
57.03444	14.5
57.06855	3.0
57.07075	28.5
61.02910	3.0
67.05505	21.3
69.03452	3.1
69.07066	7.9
71.05001	3.4
71.08634	18.7
71.58974	4.4
72.00958	2.5
79.05489	19.9
81.03416	42.9
81.07056	29.1
83.04971	9.6
83.08618	23.0
85.02904	15.5
85.10173	11.4
88.87883	2.7
91.05484	19.0
93.07044	10.9
95.04984	18.5
95.08604	21.1
96.75573	2.7
97.02894	5.1
97.06515	4.4
97.10155	9.3
105.07021	17.4
107.04904	4.7
107.08592	6.8
109.06538	4.2
109.10159	9.5
111.08075	8.9
119.08574	13.7
121.10146	6.2
129.07011	7.8
131.08569	8.0
133.10143	7.8
147.11691	7.9
149.09663	3.5
157.10141	7.6
175.11214	10.6
193.12236	38.2
211.13274	59.2
267.15866	21.0
285.16992	74.5
287.14401	3.7
297.62122	3.3
313.27393	81.8
505.39023	16.1
523.39941	100.0
524.39941	6.0
632.98956	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	721.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96582	2.0
58.99856	2.1
69.03410	2.1
69.84865	7.4
73.65787	1.3
77.00913	2.8
85.02910	1.5
89.03923	3.1
91.05495	4.9
92.47838	1.1
95.01931	1.7
97.02930	1.3
98.21452	1.4
98.97552	2.6
101.00906	5.1
103.72621	1.3
105.00390	1.9
109.02862	1.8
111.99065	1.1
115.02402	2.4
116.98615	1.7
117.03357	3.0
119.01931	38.3
119.04951	13.1
129.03986	1.4
131.01904	11.9
133.03493	5.3
133.06485	2.4
134.99695	2.2
135.04362	1.8
137.02950	10.0
142.03510	1.5
143.01884	21.3
145.03635	11.9
146.99709	1.9
147.01370	6.7
147.04405	100.0
149.02940	3.3
155.01878	12.4
157.03488	7.6
161.02959	43.1
163.03793	9.9
165.02457	1.5
167.01988	4.5
169.03432	4.5
171.01373	2.0
171.05067	4.0
173.02965	32.8
175.04082	4.6
177.00865	1.2
177.05469	9.3
179.01884	2.5
180.44582	1.2
181.03519	2.0
184.04475	1.8
185.02969	35.6
187.04570	6.8
189.00777	2.4
189.02438	1.7
191.04059	1.5
193.03561	1.4
196.04530	1.4
197.02954	15.7
197.06567	2.3
199.04556	2.2
203.04013	16.6
205.03493	6.2
207.06554	9.3
211.04568	3.0
215.04016	8.9
219.01683	2.2
219.05170	1.6
221.03087	2.8
221.05096	6.3
223.04585	13.8
223.06653	2.1
227.03963	6.5
229.03606	8.2
231.07240	1.7
237.02890	1.5
237.06064	3.7
241.05582	13.1
245.05067	68.8
246.05370	3.5
247.04517	43.6
251.94803	1.4
253.05649	2.0
257.05148	3.0
259.04602	4.9
261.06128	7.3
263.03891	1.9
263.06076	9.7
265.05582	66.9
266.05621	1.3
270.06113	2.2
273.06049	6.3
275.02606	1.8
275.06207	7.4
277.04230	1.7
279.04343	1.5
279.07016	6.7
283.06696	14.0
287.04034	5.1
288.07166	3.7
289.05576	4.7
291.04163	1.4
291.07083	6.6
293.03696	2.1
293.07220	3.1
295.06778	3.8
301.05350	2.7
305.07449	6.7
307.06555	8.4
319.06442	2.2
321.10272	5.0
325.07782	6.7
335.04749	2.3
335.08627	2.0
337.07700	2.9
343.08798	1.6
349.07681	10.4
351.05597	5.9
351.11362	2.8
355.09219	1.5
361.04056	3.4
365.09402	6.0
367.08725	16.0
377.05780	5.3
379.04984	6.8
380.06192	1.5
395.06912	7.3
397.06064	21.2
409.09692	3.4
415.07269	5.5
420.08023	1.6
421.06021	14.4
427.10950	2.6
431.07999	4.3
432.55057	1.4
433.06387	2.0
439.07156	44.0
440.07620	2.3
449.09048	1.4
451.07175	7.5
457.08264	3.4
462.08698	1.8
469.08261	6.6
481.08228	4.9
499.09332	10.0
505.07742	2.4
508.31744	1.4
523.09387	18.0
529.13910	4.5
541.10364	26.3
557.11450	1.9
559.11469	6.1
703.15717	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	720.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99022	0.9
53.03942	3.6
55.01867	2.4
55.05516	7.4
57.03435	7.5
60.36778	1.1
65.03947	2.1
67.05171	1.5
67.05508	19.4
69.03416	1.8
69.07062	5.2
70.25503	4.2
71.04992	1.9
79.05493	25.4
81.03419	36.8
81.07055	16.1
83.04997	5.1
83.08636	9.3
85.02900	1.4
85.06551	1.5
85.07339	1.0
86.08535	1.0
91.05480	24.6
93.07048	27.9
95.04973	18.6
95.08614	12.4
95.93392	1.1
97.02900	1.2
97.06515	2.5
97.10165	2.7
99.08088	1.1
105.07034	20.2
107.04940	4.4
107.08600	7.5
109.06517	4.3
109.10141	2.7
111.08079	3.2
113.06013	1.4
117.07024	4.5
119.08578	12.8
121.06499	2.6
121.10149	5.6
123.08083	2.9
123.11703	1.6
128.06213	1.2
129.07021	9.9
131.08546	5.4
133.06491	1.4
133.10143	5.3
135.08014	1.2
135.11780	1.2
142.07799	1.4
143.08569	4.2
145.10188	5.2
147.05772	1.1
147.08118	2.7
147.11693	15.1
149.09581	1.6
153.46211	1.1
157.10136	4.4
161.09653	1.8
161.13254	3.4
163.11214	1.1
171.11635	8.9
175.11243	4.8
189.12733	3.6
193.12212	9.3
207.13792	7.1
211.13177	2.0
267.15936	35.6
281.17477	26.1
291.19589	1.2
292.19824	1.3
301.14188	1.0
333.52579	1.1
394.06064	1.0
443.98712	1.0
473.29010	100.0
474.29318	3.7
491.29657	1.3
515.30200	2.4
555.03497	1.2
717.48480	1.2
720.40460	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.0
55.01868	6.1
55.05515	19.8
57.03428	11.7
57.07061	3.3
61.02917	8.2
65.03944	4.0
67.05506	57.7
69.03426	5.4
69.07056	13.5
69.73027	19.1
69.73399	5.5
71.04990	10.4
73.02908	4.3
75.51789	2.6
79.05492	53.6
81.03411	12.2
81.07058	63.1
83.04969	7.6
83.08620	9.5
85.02906	11.8
85.06538	4.6
91.03952	4.5
91.05479	59.3
93.07044	60.5
95.04401	3.7
95.04937	15.6
95.08611	40.8
95.65185	2.8
97.02902	12.1
97.06545	10.5
97.10157	9.3
105.07027	51.5
107.04972	8.2
107.08597	26.3
109.06513	8.1
109.10163	11.6
111.08093	3.3
117.07019	21.2
119.08572	42.3
121.06515	3.7
121.10159	14.8
123.08018	5.2
125.09675	4.3
128.06245	5.5
129.07025	22.9
131.08562	31.6
133.10129	26.2
135.08118	2.7
135.11708	10.9
141.06996	9.0
142.07759	5.2
143.08560	27.1
145.06509	3.3
145.10123	25.0
145.39702	2.9
147.08035	4.9
147.11682	32.7
149.09680	3.1
149.13277	8.5
155.08595	14.4
157.10117	19.7
159.11722	18.1
161.13251	16.9
167.08575	3.9
169.10136	18.5
171.07990	4.7
171.11676	34.5
173.13248	9.8
175.14847	10.1
177.12813	6.2
181.10146	9.9
183.11703	15.4
185.13280	13.1
187.11223	3.7
187.14771	5.1
189.12741	5.6
193.10146	3.1
195.11736	8.3
197.13280	13.4
199.14859	8.5
201.16374	4.9
207.11624	3.4
207.13789	7.5
209.13268	8.8
211.14856	7.8
213.16371	4.9
223.14839	6.1
237.84695	3.1
241.19533	12.2
259.20526	24.2
269.10370	3.6
275.20074	9.7
281.17450	28.8
314.10175	3.5
323.71503	3.3
333.24280	12.9
335.23715	3.7
419.32700	4.0
429.31238	3.5
437.34100	11.8
447.32501	14.8
465.33585	16.0
483.34784	9.1
521.36121	7.4
529.38904	9.0
539.37366	100.0
540.37671	5.0
557.38342	58.9
701.42212	13.2
719.43707	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	719.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
70.18916	4.5
73.09331	1.0
75.97920	1.0
91.22536	0.9
94.06553	1.4
98.20785	1.0
122.06030	8.2
125.30673	1.1
136.07559	11.2
146.05988	7.2
148.07568	4.6
152.07108	2.4
164.07088	11.0
166.08656	1.9
172.03952	2.0
174.05589	1.9
175.11777	1.1
176.07060	16.6
190.05006	3.1
193.83812	1.0
204.06544	1.4
210.11472	1.6
211.12473	1.3
221.10777	1.5
223.12370	1.9
224.09479	1.6
224.13026	2.0
225.10205	3.1
227.11945	2.2
235.12355	3.2
237.10188	7.8
238.10988	12.3
239.11842	8.5
250.11026	1.5
251.11714	6.4
253.13437	2.6
255.11229	1.6
256.45544	1.2
261.10251	1.5
263.11856	4.6
264.08945	1.9
264.12473	1.4
265.09747	4.2
265.13379	11.2
266.10257	1.5
266.14148	1.4
267.11166	3.0
269.12781	1.2
271.14413	5.1
275.12170	1.6
277.09686	2.0
277.13382	2.0
278.10464	3.0
279.11267	100.0
280.11942	7.6
281.12921	1.5
283.10822	1.6
285.12274	1.3
287.13943	1.9
291.11298	1.1
293.12836	3.9
294.13593	1.1
295.10818	1.8
295.14227	1.9
296.11765	1.5
297.12341	46.3
297.74356	1.2
298.13071	5.5
309.12369	15.9
310.13129	6.7
311.13947	2.5
319.10739	1.3
321.12326	12.6
323.10379	1.4
324.10904	1.5
325.11945	3.1
337.11807	25.5
338.12546	10.7
339.13382	65.9
340.13922	2.8
369.14542	2.3
371.16022	14.0
373.14084	2.2
399.11978	2.2
400.16693	2.3
442.17654	4.1
460.18649	42.4
461.19308	5.3
473.51794	1.3
508.28568	1.2
520.20825	3.4
524.20483	3.1
536.20569	1.6
551.19189	1.4
552.19666	1.5
564.10913	1.8
564.19769	28.5
565.20453	3.9
566.21619	5.7
596.22290	2.1
601.26208	3.4
643.27362	2.3
669.25690	1.8
687.26642	40.1
688.26971	2.5
744.83099	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	3.3
53.03945	12.5
55.01876	15.5
55.05511	48.4
57.03435	18.5
65.03953	5.6
67.05506	85.5
68.05832	5.5
69.03436	35.8
69.07066	31.4
70.89010	2.8
71.01375	3.2
71.04996	14.0
71.58927	5.6
73.02900	5.5
79.05493	62.9
81.03419	100.0
81.07059	64.9
82.03763	2.9
82.07430	3.3
83.04986	25.5
83.08619	29.9
85.02908	18.9
85.06546	3.2
89.06001	3.1
91.05486	64.4
91.06013	4.9
92.05791	4.4
93.07048	53.8
93.65237	3.0
95.04981	38.5
95.08613	36.4
96.05206	2.9
97.02888	30.2
97.06541	9.9
97.10170	19.9
99.04450	7.0
103.05492	5.8
105.07039	53.6
106.20756	3.2
107.04959	21.9
107.08588	40.4
109.02866	22.8
109.06535	11.0
109.10172	25.2
110.10490	3.6
111.04450	12.2
111.08089	10.8
113.06016	3.2
115.03837	2.6
115.05442	3.2
117.07023	21.7
119.04955	4.7
119.08587	38.7
121.06527	10.4
121.10113	15.9
123.04501	3.7
123.08058	9.6
123.11766	4.4
125.09619	20.2
127.03897	18.8
128.06210	5.6
129.05458	3.8
129.07036	17.9
131.08569	29.9
133.06508	9.3
133.10133	18.6
135.08066	10.5
135.11717	12.3
137.09579	7.1
141.07043	2.9
143.08577	11.5
145.06496	5.7
145.10110	19.4
147.08063	12.0
147.11696	20.9
149.09679	5.6
149.13373	4.3
151.11156	3.8
153.12794	4.4
155.08536	8.7
157.10127	17.4
159.08041	7.9
159.11725	8.8
161.09587	7.6
161.13301	4.3
163.11143	16.1
169.10054	4.2
171.08012	3.3
171.11688	5.4
173.04472	11.0
173.09608	6.3
173.11795	4.1
173.13261	4.2
175.11205	11.5
177.12819	3.7
181.12294	3.5
183.08066	3.8
183.11752	5.8
187.11188	2.8
189.11253	10.0
191.10622	3.4
193.12215	23.5
207.13808	3.0
209.11777	3.7
211.11285	5.1
211.13240	40.1
211.14995	3.8
223.13348	10.6
227.12811	23.8
229.14395	10.9
230.14754	4.9
249.14923	5.0
267.15994	10.1
273.18509	20.5
275.20084	11.2
277.21902	3.4
283.15457	3.5
285.10007	3.7
285.17221	4.4
291.19531	69.1
337.16415	3.9
347.22208	8.3
349.24384	3.4
351.19690	3.4
355.17307	5.0
365.23178	8.6
411.19824	4.5
423.27219	9.9
424.27838	11.1
531.69043	3.1
539.33508	6.7
543.36133	3.1
557.34619	13.1
575.35565	11.7
599.35706	3.9
701.38892	8.0
719.39941	71.1
720.40356	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	719.292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.73344	0.8
69.68164	5.3
79.05473	1.5
81.03397	0.8
81.84454	0.9
91.05476	1.0
94.06558	3.4
95.04970	0.9
106.06564	1.0
108.08133	0.9
110.82619	0.8
120.08112	1.2
121.02879	1.0
122.06017	13.5
134.05975	3.1
136.07576	19.0
137.05966	1.7
140.07063	1.4
146.06013	5.9
148.07562	5.5
150.09163	1.2
152.07057	2.9
162.05626	0.9
162.09077	1.3
164.07065	18.3
166.08603	5.8
172.03915	4.2
174.05405	2.5
174.09096	1.5
176.07074	12.2
190.05061	2.0
199.91684	0.8
204.06578	6.8
206.08093	1.9
208.09686	2.7
209.10771	2.0
210.11534	4.2
211.12257	3.6
221.10814	2.4
222.11537	1.7
223.12204	1.4
224.09261	1.1
224.13002	2.1
225.10234	3.3
225.13712	1.7
226.07054	2.2
227.11807	1.8
235.08624	1.3
235.12300	4.7
236.13000	1.1
237.10214	9.3
237.13913	2.4
238.10980	11.5
239.11758	18.1
242.35187	0.9
248.09422	3.4
249.10240	5.5
250.10989	5.5
251.11804	12.7
252.12622	1.7
253.13304	3.3
256.11899	1.1
263.11804	20.8
264.08932	2.6
264.12323	4.0
265.09760	6.3
265.13361	19.9
266.10611	2.4
266.14008	1.5
267.11316	4.7
269.12823	3.2
270.13644	0.9
271.14456	5.4
275.11771	1.8
277.09689	2.8
277.13376	3.5
278.10483	3.1
279.11273	100.0
280.11954	9.0
281.12820	3.5
282.13440	1.6
283.14337	1.4
285.12289	1.4
287.13956	4.0
291.11252	6.3
292.11841	1.3
293.12759	6.0
295.10788	3.9
295.14011	1.0
296.11603	3.3
297.12326	56.3
298.13080	7.7
303.11279	1.2
309.12314	41.6
310.13058	14.9
311.13885	6.5
319.10721	4.3
321.12314	11.4
323.13959	1.1
325.11786	3.6
337.08600	0.8
337.11798	40.1
338.12601	13.6
339.13376	60.1
340.13962	3.3
347.12180	1.4
355.12973	1.2
369.14410	35.5
370.15173	7.4
371.16019	61.1
372.16638	2.0
373.13910	3.4
399.11734	2.2
400.16592	1.6
401.13312	1.2
402.18381	1.4
418.17438	2.0
431.14551	2.3
442.17566	2.5
460.18677	34.1
460.25381	1.6
461.19272	3.4
492.21201	2.6
493.21695	1.6
510.22742	4.4
520.20703	2.5
524.20044	3.3
550.86298	1.0
552.22888	2.9
564.19769	22.0
565.20087	2.4
566.21417	3.9
596.22369	58.2
597.22528	3.6
601.26398	3.5
643.26947	2.1
669.25470	1.9
687.26556	36.1
688.26367	2.5
719.29614	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	718.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.3
55.01859	6.1
55.05511	14.0
57.03438	12.9
59.04982	4.1
61.02915	4.9
65.03923	2.5
67.05502	100.0
69.03404	5.6
69.07063	14.3
71.04982	5.1
71.58492	1.2
71.58893	1.8
73.02913	1.6
79.05489	24.7
81.03425	6.9
81.07053	44.2
83.04983	6.3
83.08609	9.9
85.02888	6.2
85.06536	3.2
91.03931	1.9
91.05479	25.6
92.05825	1.4
93.07042	30.1
95.04959	9.6
95.08599	18.7
95.44078	1.2
97.02872	4.5
97.06535	7.9
97.10157	6.1
99.04397	1.7
99.08079	2.1
105.07024	17.2
107.04954	5.4
107.08604	18.8
109.02897	1.6
109.06523	3.0
109.10151	65.3
111.08080	5.0
113.09598	1.6
116.75895	1.5
117.07007	8.0
119.08575	14.2
121.06518	3.3
121.10144	5.3
123.08056	2.8
125.09632	4.3
127.03899	2.4
127.72675	1.4
129.05464	1.3
129.06955	2.8
131.08548	9.1
133.10139	9.5
135.08008	1.8
135.11671	6.6
137.09610	3.7
141.06985	1.7
143.08495	1.9
145.10117	7.1
147.07962	1.6
147.11696	7.0
149.09650	9.9
149.13239	6.1
155.10616	2.6
159.11674	6.0
163.11188	6.2
163.71187	1.4
165.09053	1.5
169.10120	2.6
173.04422	2.8
173.09459	1.5
173.11748	20.8
173.13228	3.3
177.12651	1.8
183.11667	1.5
185.13248	1.3
189.04124	1.3
189.11183	4.3
195.13847	3.2
197.13213	1.3
199.30563	1.4
227.12840	9.1
229.14326	61.4
255.15892	4.9
257.18964	5.3
269.17535	9.5
275.20065	20.3
293.20944	1.5
325.20148	1.4
331.22083	1.5
349.23679	17.8
353.24664	1.3
399.23737	2.7
409.25836	14.5
413.21747	1.3
423.27399	52.0
503.33716	25.1
521.34589	5.6
567.31256	2.3
629.18683	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32550	0.7
55.05510	3.6
57.07077	34.4
59.05022	1.0
67.05505	1.8
69.07076	1.3
69.41249	7.7
71.08225	1.5
71.08631	26.3
71.18575	0.8
73.02911	1.4
73.06554	9.9
81.07053	1.3
83.08637	2.1
85.10181	18.1
85.10661	1.4
87.04463	10.9
89.06032	100.0
95.08582	1.0
97.10175	3.5
99.11743	4.6
107.07066	7.2
111.11710	1.0
113.13255	1.4
117.09126	7.6
130.08669	3.4
131.07042	3.2
131.84021	0.8
133.08603	50.5
135.10210	1.3
155.17955	4.3
161.11745	2.1
175.09694	1.4
177.11218	17.0
184.07353	1.5
195.83707	0.8
199.20566	2.4
221.13860	2.6
228.67635	0.8
239.14928	1.2
243.23154	7.3
283.17557	1.6
287.25940	3.2
309.19147	1.0
522.51978	1.2
620.45258	1.5
701.50769	0.9
718.46558	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	1.0
53.03930	1.2
55.01865	2.2
55.71426	0.7
65.03928	4.6
67.05495	2.1
71.58189	1.0
75.04484	1.7
78.04715	1.6
79.05479	3.1
81.03426	2.2
85.02889	3.3
86.09728	0.8
89.03916	1.2
89.06040	1.0
91.05479	9.1
93.03408	5.9
93.07026	2.7
94.04214	1.5
95.04971	5.0
97.02863	1.3
97.06509	2.0
103.05466	25.1
105.03401	1.5
105.04499	1.1
105.07035	3.9
106.04179	11.3
107.04968	6.6
108.02065	1.0
109.06509	2.4
111.04438	1.9
115.05471	4.4
116.06225	0.9
117.03401	0.9
117.07040	4.9
118.00833	0.8
118.04165	3.9
119.04930	3.4
119.08588	0.9
121.06515	14.8
121.26510	0.8
122.03644	4.8
123.04408	2.9
124.05240	1.1
125.05981	6.4
129.06993	1.2
130.04179	1.2
131.04924	32.9
131.08603	1.0
132.05690	1.1
133.02910	1.6
133.06512	5.1
134.03638	2.4
135.04413	1.9
135.08040	2.0
137.05974	59.9
139.03922	1.3
139.07561	1.0
141.05449	1.8
142.02562	0.9
143.04906	1.9
144.05641	1.1
145.02910	1.1
145.06479	5.0
146.03656	2.2
147.04398	3.2
147.08070	1.9
148.05197	12.2
149.04791	1.3
149.05980	24.1
151.03906	68.7
151.04985	4.2
151.07520	3.2
153.05466	2.0
153.09088	7.1
159.04420	1.0
160.05226	2.0
161.05963	4.3
162.01318	1.3
163.03896	3.2
163.07545	23.5
165.05504	3.2
167.07028	18.8
171.06554	1.5
173.05962	2.7
175.07568	5.7
176.04686	2.2
177.05467	18.6
177.09053	1.8
179.01573	0.9
179.06978	1.7
181.04962	26.1
181.06546	1.4
181.08578	11.9
187.07520	2.7
189.05482	1.1
189.09123	2.0
190.00798	1.3
191.07030	100.0
192.07594	1.2
193.03174	1.2
193.04927	1.5
193.08588	1.7
195.06496	2.5
201.05521	1.1
203.07082	3.7
205.06512	1.5
205.08606	2.7
209.08090	69.5
213.05605	1.0
217.08513	1.4
219.10147	2.3
221.08006	0.9
223.04214	14.8
231.06587	1.1
233.08075	4.1
234.06706	1.3
235.07574	1.4
235.09669	3.4
237.09161	1.9
245.08054	0.9
249.09070	1.4
263.09131	14.1
265.08713	1.3
267.10214	1.8
277.08469	1.8
279.10187	0.9
295.09650	1.6
297.11273	1.0
307.09653	0.9
309.11020	1.2
312.09177	1.9
325.10757	2.3
326.11566	1.1
327.12238	2.8
329.13864	1.5
337.10693	2.3
341.13763	1.3
355.11694	8.9
357.13403	2.2
359.14786	1.6
369.13275	2.0
387.14383	24.8
417.15646	1.2
471.05984	0.9
547.19049	1.2
579.21692	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.1
55.01867	31.7
55.05506	27.7
57.03408	6.8
62.37933	5.4
65.03941	5.7
67.05502	61.8
69.03423	17.8
69.07054	40.3
71.58569	10.0
79.05492	69.9
81.03423	37.8
81.07050	87.2
83.04984	22.3
83.08622	17.3
85.02889	11.6
91.05474	100.0
91.06013	8.1
93.07030	67.0
95.01389	10.3
95.04956	32.0
95.08594	42.1
97.02879	9.7
97.06548	44.4
97.10135	6.9
105.07025	90.3
107.04974	33.1
107.08606	32.1
109.06528	8.5
109.10127	12.1
113.75316	5.8
115.05466	9.3
117.07018	42.7
119.08576	57.8
121.06551	8.6
121.07486	5.9
121.10100	11.8
123.04394	7.7
123.08127	7.0
128.06171	10.8
129.06990	25.8
131.08543	35.8
133.10103	51.7
135.08046	14.5
135.11711	7.6
141.06978	8.6
143.08553	16.1
145.06471	10.9
145.10080	31.0
147.11688	29.9
149.09592	10.1
157.10214	7.0
157.85690	6.3
159.08012	7.8
159.11708	15.8
161.09636	5.9
161.13298	12.0
163.11171	6.3
167.08536	9.2
169.10081	6.4
171.11670	11.1
173.04443	11.0
173.13281	8.7
179.14311	22.0
181.10080	6.5
183.11664	8.8
185.13226	6.1
187.11185	10.0
207.13751	10.0
235.11852	6.4
257.19061	10.6
275.20013	92.9
279.15927	15.2
281.17538	13.2
287.16467	14.4
349.23663	23.7
555.36737	29.4
699.40790	10.1
717.42322	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.276
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88997	1.5
61.35464	1.5
62.61970	1.4
65.03941	1.9
67.05511	2.7
68.23684	1.3
69.26881	18.1
80.04987	1.6
93.07067	1.4
94.06023	2.1
94.06562	17.0
95.04985	2.1
96.38374	1.8
104.04977	1.5
106.06467	1.6
108.08127	1.5
116.04985	1.7
117.73959	1.9
118.06525	2.0
120.04482	1.5
122.06026	81.5
134.05965	4.5
136.07584	1.9
137.05983	3.7
140.07036	2.0
144.04457	4.1
146.06004	20.0
147.06746	1.8
148.07550	3.4
151.07602	1.5
151.58205	1.5
162.05420	3.5
163.06242	2.9
167.07077	4.5
172.03951	21.6
174.05511	13.2
176.07031	12.0
186.09146	1.9
190.04996	7.5
191.05762	6.2
192.06555	2.9
195.09032	1.5
197.10770	4.3
199.08685	3.0
199.12296	2.8
204.06552	35.8
206.08156	7.0
209.10806	2.0
211.08664	4.6
211.12332	1.8
212.09431	3.3
213.10341	2.7
223.08548	2.3
223.12070	1.5
224.09424	3.0
225.10207	13.4
226.07071	17.3
226.10986	2.5
227.11806	22.9
237.10201	5.2
238.11012	2.1
239.11732	10.0
240.12624	2.4
241.09634	2.4
243.11279	2.6
248.42484	1.6
249.10219	3.7
250.10992	2.9
251.11775	6.4
253.09692	6.4
255.07637	2.3
255.11160	1.9
263.08124	3.7
263.11801	5.2
264.09061	2.4
265.09738	4.6
267.11279	5.2
268.12140	1.8
269.12860	21.9
271.10889	7.4
277.09711	3.7
278.10580	2.1
279.11334	4.9
283.10736	17.0
284.11496	9.4
285.12292	5.9
287.13870	36.1
291.11252	3.7
295.10684	7.0
297.12271	6.2
300.11377	3.2
300.14880	1.5
301.12088	11.6
302.12903	1.8
309.12366	2.3
312.15192	2.4
313.11719	7.9
314.12955	7.0
315.13730	3.2
316.14383	10.6
323.10159	2.8
324.10986	2.0
326.16678	2.5
327.13541	6.8
327.17358	1.7
328.10864	2.7
328.14453	6.9
329.11618	7.4
329.15405	4.2
330.12222	5.5
330.15997	14.5
331.16769	12.8
332.17599	2.5
337.11710	3.7
338.12732	2.1
340.14569	2.3
341.12213	2.3
341.15964	2.1
342.12399	14.7
342.15967	2.4
343.13336	9.1
343.16776	1.7
344.13983	2.7
344.17545	12.5
346.19000	2.3
347.12283	4.7
354.16132	3.3
355.13586	6.1
356.13962	9.3
357.14899	7.0
358.15469	16.7
365.11224	11.2
369.14798	4.4
370.11533	3.0
370.15695	9.7
371.12299	3.6
372.17242	8.9
373.13992	5.2
374.18707	2.0
380.13614	3.0
382.11746	6.0
382.15887	2.9
383.12430	8.0
384.13318	22.4
385.14053	9.5
386.14642	12.9
386.18832	4.1
388.16516	2.5
390.18124	9.8
394.14899	2.4
397.14560	2.1
398.14957	30.9
399.11664	29.9
399.15845	39.3
400.16531	69.8
402.14313	6.8
412.16611	4.8
414.18381	11.0
415.18640	4.6
416.15799	4.5
417.12640	8.9
417.17554	14.3
418.17618	16.2
430.17596	5.3
431.14252	10.3
440.16104	9.1
441.16684	2.5
444.15234	3.8
458.17117	84.8
459.17844	45.1
460.18539	9.4
490.19702	13.4
491.20197	6.0
581.23956	4.2
594.20520	2.8
599.24890	24.3
623.24609	5.1
641.25812	12.8
643.23492	6.3
667.24078	11.3
685.25006	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
54.29288	1.2
55.01845	1.4
62.77811	1.2
65.03923	1.8
67.05501	1.5
69.24692	4.0
69.25116	11.0
70.62803	1.1
79.05508	1.9
89.73499	1.2
91.05476	2.2
93.05760	1.4
94.06567	13.7
98.21503	3.0
104.05011	2.3
108.08091	2.0
116.04966	1.9
117.05740	1.5
118.06596	1.7
120.08086	1.4
121.05274	2.3
122.06021	76.5
124.07526	1.7
134.06007	2.7
137.05933	1.8
138.05544	1.4
140.07043	4.2
144.04411	2.7
145.54823	1.4
146.06007	18.9
147.06802	1.9
148.07576	3.5
152.07037	2.1
162.05505	3.6
167.07115	2.3
170.09665	1.6
172.03941	23.5
172.37656	1.3
173.04759	1.8
174.05496	18.9
176.07054	12.5
182.09653	1.8
186.09071	2.0
188.10765	1.4
188.31375	1.2
190.04985	6.2
191.05777	5.0
192.06476	2.3
196.09848	1.6
197.10721	3.5
198.11572	1.4
199.08652	1.9
199.12325	5.8
204.06557	34.1
206.08105	5.1
209.10707	2.7
210.11499	1.3
211.08669	5.5
211.12207	1.4
212.09395	2.9
213.10220	2.0
223.12238	2.1
224.09317	2.6
225.10252	14.0
226.07108	15.6
226.10797	3.1
227.11772	22.3
236.09457	2.1
237.10239	5.2
238.11052	2.4
239.11800	9.3
240.12498	1.5
241.09772	3.0
241.13400	3.2
243.11293	4.1
249.10201	4.6
250.11037	2.1
251.08005	1.5
251.11880	6.9
253.09717	7.5
263.08200	3.0
263.11823	4.5
264.08636	1.6
265.09705	5.1
267.11200	7.8
269.09741	2.0
269.12845	24.1
271.10660	9.1
277.09668	2.7
279.11249	5.3
283.10718	15.7
284.11472	10.4
285.12375	6.9
286.13318	1.4
287.13879	40.8
289.13266	1.8
291.11142	2.8
293.09183	1.7
293.12802	1.9
295.10721	4.7
297.12393	5.8
298.13394	1.8
300.11676	1.7
301.12027	7.0
302.12772	3.7
309.12250	1.5
311.14261	1.7
312.15070	3.0
313.12061	4.9
314.13010	5.0
315.13715	5.8
316.14423	14.2
323.10379	3.2
324.11060	1.6
326.13116	1.5
326.16531	2.3
327.13449	5.3
327.17239	2.2
328.10907	2.2
328.14508	5.1
329.11609	7.8
329.15198	5.1
330.12247	6.0
330.15994	12.3
331.13132	2.7
331.16751	14.6
332.17441	2.6
337.11835	2.4
339.13928	1.8
342.12335	13.3
342.15881	2.3
343.13184	8.2
344.13867	4.2
344.17590	9.1
345.14536	1.9
347.12341	3.1
352.14600	1.6
354.16129	2.9
355.13498	5.4
356.13852	12.9
356.17468	1.7
357.14999	4.7
358.15482	17.6
365.11252	9.6
367.13083	3.5
368.14209	2.0
369.14630	4.3
370.11649	3.2
370.15527	9.4
371.12482	5.2
371.16489	3.0
372.17215	7.1
373.14124	5.0
374.18829	1.5
378.92532	1.6
381.14600	2.0
382.11972	6.1
382.15839	3.8
383.12491	6.2
384.13293	24.3
384.17422	2.5
385.14026	6.4
386.14563	9.1
386.18863	5.4
388.16507	4.1
390.18039	12.2
396.17480	2.2
397.14883	3.2
398.14914	25.2
399.11716	40.3
399.15900	36.3
400.12433	2.1
400.16519	59.4
401.17349	1.5
402.14404	4.6
412.16507	3.1
413.16916	1.5
414.18118	13.5
415.19019	4.3
416.15973	7.1
417.11661	7.9
417.17523	15.2
418.17654	16.5
430.17502	7.1
431.14001	9.1
431.19644	1.7
440.16226	8.6
441.16547	2.5
442.17203	1.5
444.15405	2.6
449.15512	1.7
458.17072	79.8
459.17850	43.6
460.18732	7.0
486.95657	1.4
490.19705	11.5
491.20352	5.3
522.69720	1.6
581.23425	4.8
594.20453	3.3
599.24994	21.1
623.24902	5.2
641.26050	10.4
643.23602	5.8
667.23773	11.8
685.25006	100.0
686.24774	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	717.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56414	1.8
51.63582	1.7
56.52884	2.0
70.69680	2.0
94.06589	12.6
98.21547	3.4
104.05013	2.5
114.28728	2.1
122.06026	65.1
123.06416	2.0
134.05998	4.4
136.07506	2.5
140.07008	5.6
144.04425	3.1
146.06010	14.1
148.07579	3.2
152.07091	2.0
162.05484	2.5
172.03908	15.7
172.07437	2.5
174.05508	12.6
176.06998	10.4
190.04982	5.1
191.05762	4.0
192.06561	3.2
197.10780	2.4
204.06540	35.6
205.64578	3.0
206.08069	5.3
209.10661	2.5
211.08655	3.2
225.10197	8.9
226.07086	9.0
227.11732	20.2
237.10222	6.3
238.10974	2.7
239.11848	5.5
241.09627	3.1
241.13300	2.7
243.11377	2.8
249.10173	5.0
251.11813	4.1
253.09770	5.1
253.13402	2.2
265.09872	2.9
267.11331	4.8
269.12845	17.6
271.10730	6.4
277.09708	3.3
279.11292	4.2
283.10770	13.0
284.11594	8.9
285.12173	4.9
287.13916	33.6
295.10696	4.9
297.12329	4.9
301.12094	7.2
311.14166	2.6
313.12100	3.2
314.12827	4.6
315.13620	4.0
316.14328	9.5
317.15039	2.3
323.10291	2.4
326.16489	2.3
327.13507	5.4
328.14578	3.2
329.11560	4.9
329.15161	4.3
330.15891	11.2
331.16620	10.6
332.17319	3.4
341.11752	3.0
342.12399	7.9
343.13171	7.9
344.17615	7.3
347.12317	3.0
353.09506	2.3
355.12961	3.8
356.13910	8.8
357.15024	7.7
358.15662	10.8
365.11346	7.9
369.11026	3.0
370.11438	2.9
370.15402	5.9
371.12347	3.1
372.17038	6.7
382.11566	3.8
383.12537	4.9
384.13181	17.4
385.14029	5.6
386.14883	6.8
386.18979	4.9
387.17499	2.8
388.16290	3.0
390.18024	9.2
398.15021	25.5
399.11707	31.3
399.15881	25.1
400.16513	50.7
402.14581	6.2
414.18280	11.5
416.15741	4.1
417.12637	7.8
417.17712	10.8
418.17743	14.3
420.84134	2.8
430.17596	4.7
431.13937	10.8
440.16064	8.4
444.15469	4.7
458.17114	58.8
459.17831	36.1
460.18381	6.0
490.19556	8.6
491.20239	6.4
581.23822	3.7
599.24768	16.5
623.24976	3.3
641.26013	13.3
667.23584	11.2
685.24969	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38824	0.9
52.73143	0.8
58.38511	0.9
61.02925	1.1
65.54008	0.9
67.05499	2.1
69.07064	0.9
70.05633	0.9
71.04959	1.0
71.58868	1.3
79.05505	1.2
81.07037	2.4
85.02917	2.0
91.03977	0.9
91.05438	1.2
93.07072	1.1
97.02894	0.8
105.06997	1.1
107.08611	1.6
123.04359	0.9
137.47662	0.9
149.69293	0.8
185.04260	2.4
201.03755	1.6
259.07959	1.6
301.08856	1.3
331.10071	4.0
347.09390	4.5
363.08987	3.5
391.24747	1.5
415.19397	1.1
437.12552	1.9
439.70779	0.9
463.14374	1.0
483.22076	2.5
493.15289	5.6
507.17142	1.8
521.18097	1.1
526.13879	0.9
535.19922	1.6
553.29742	12.1
577.24622	1.3
625.32495	2.0
643.32611	1.3
697.34161	1.5
715.35132	100.0
716.35193	2.8
721.56549	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.5515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15613	6.4
57.07067	38.7
68.38537	6.1
70.85204	23.3
71.08636	40.2
73.06538	8.5
73.30822	6.8
81.03620	7.2
84.44360	6.4
85.10174	20.7
87.04465	14.7
89.05534	11.8
89.06039	100.0
100.00976	7.6
103.32584	6.8
117.09168	7.2
125.95924	7.8
133.08578	59.4
162.24303	8.8
175.37706	7.5
177.11241	23.3
194.65311	8.6
197.22743	8.4
306.28012	13.5
324.96881	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	717.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01865	1.0
65.03934	5.1
67.05495	3.1
68.99373	0.8
69.03433	1.8
70.05885	4.6
70.06577	1.4
74.36998	0.9
77.03984	0.9
78.04710	3.2
79.02971	0.8
79.05492	3.4
81.03436	1.8
81.07040	1.4
81.77149	0.9
82.04192	1.7
85.02905	3.9
91.05482	6.5
93.07047	2.2
95.04977	4.9
95.08598	1.3
97.02937	1.5
97.06512	1.8
100.31858	0.9
101.22724	1.0
103.05444	6.0
105.07029	2.0
106.04177	2.5
107.04955	5.4
109.06481	1.3
110.03673	2.3
111.04432	2.0
115.05444	5.5
117.07017	8.7
119.04947	1.5
119.08644	1.1
121.06500	4.1
123.04440	12.2
123.11697	0.8
124.05210	4.6
125.05988	2.8
131.04889	6.2
132.05698	1.2
133.02893	1.2
133.06502	1.2
134.03595	1.2
134.57524	1.0
135.04373	2.1
137.05974	9.6
138.03082	1.3
139.03893	2.8
140.04680	2.8
142.02559	1.6
143.04938	1.3
144.05701	1.2
145.06490	14.9
147.04359	2.0
147.08124	1.8
148.05154	2.0
149.05971	4.8
151.03909	3.4
151.07542	3.1
152.04692	3.2
153.05481	2.9
154.06232	1.0
155.05013	0.9
155.05974	4.5
155.07146	1.0
159.04416	1.1
160.05214	1.3
161.06000	3.8
163.03926	3.0
163.07561	2.4
165.05545	2.9
165.06987	1.0
167.07047	100.0
171.06561	5.0
173.05983	23.2
175.07536	2.5
176.04613	1.4
177.05479	5.9
177.06844	1.0
179.07135	1.2
181.04959	91.0
182.05695	1.7
183.06523	1.7
191.07030	7.9
193.04823	1.1
193.08620	0.9
195.06544	3.2
200.65347	0.8
201.05464	1.3
203.07080	4.9
205.08539	6.8
207.06465	1.6
209.08107	4.0
213.05389	1.0
217.08653	1.7
219.06505	3.1
221.05940	1.1
221.08043	3.8
223.07666	1.1
228.57481	0.9
231.06560	2.1
233.08014	8.0
235.07556	1.5
235.09656	9.9
237.08954	0.9
247.07509	1.0
251.09248	0.9
253.08385	1.1
263.76532	1.0
264.07733	1.2
265.08667	1.7
283.09134	1.2
297.11261	1.7
303.04874	1.4
307.09729	1.2
310.08362	1.8
323.09171	1.4
325.10614	2.6
326.11395	1.5
329.13828	1.3
337.10596	1.5
342.10876	1.0
355.11752	1.2
357.13272	8.0
365.10406	1.2
367.11896	1.6
369.13367	1.7
371.15250	1.1
385.12802	35.5
386.13489	1.4
387.14502	5.6
397.12805	14.8
399.14349	2.6
403.13916	4.5
415.14059	5.4
417.15460	11.9
491.19009	5.5
717.27332	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	715.351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.01857	0.8
55.05512	1.5
57.03426	2.3
61.02929	4.3
62.21205	0.4
65.03949	0.7
67.05512	3.0
69.03428	3.5
69.07070	1.4
71.04990	1.4
71.58659	0.4
73.02925	3.3
79.05492	3.8
81.03425	5.6
81.07061	3.8
83.04980	1.9
83.08616	0.9
85.02912	6.4
91.03938	2.3
91.05493	5.0
93.07051	3.3
95.04984	3.1
95.08611	1.6
97.02897	5.0
97.06522	1.0
99.04446	1.2
101.02370	1.9
103.05460	1.1
105.07021	2.8
107.04961	1.3
107.08595	1.8
109.02883	1.3
109.06549	0.8
109.10169	0.8
111.08087	0.6
115.03951	0.5
115.05509	0.6
119.08588	2.4
121.06489	0.6
121.10147	3.8
123.04446	1.1
123.08061	0.7
125.05989	1.2
127.03941	1.8
129.07014	1.6
131.04929	0.9
131.08574	2.1
133.10153	2.0
137.06020	2.6
139.03879	0.8
139.11162	1.1
142.07845	0.7
145.06567	0.8
147.08099	0.8
147.11739	1.4
149.05974	0.7
149.09616	1.6
151.07509	0.6
153.01756	0.6
157.10168	1.6
163.07625	0.6
167.07053	3.5
173.06041	0.8
175.07587	0.5
175.11247	1.4
177.05608	0.7
181.04916	2.5
189.09113	0.6
191.07074	0.7
193.12224	3.6
203.07065	0.8
205.08621	0.6
207.06674	0.8
211.13133	0.7
231.44270	0.5
243.08475	2.3
251.12666	0.8
267.15961	0.7
269.13724	1.5
271.06137	0.5
303.04993	0.6
307.15463	0.7
315.13385	0.9
360.15311	0.5
392.44916	0.5
443.18854	5.2
456.14633	0.8
469.20465	10.9
487.21655	5.6
541.14215	0.8
671.32587	2.1
697.34485	2.9
715.35107	100.0
716.35608	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	715.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.4
61.02913	0.5
67.05492	1.0
69.07072	0.6
75.61104	0.5
79.05490	0.9
81.03374	0.6
81.07053	0.5
83.04993	0.5
84.30844	0.4
85.02895	0.9
87.25120	0.4
91.03932	0.5
91.05505	0.9
93.07047	0.9
95.08595	0.5
95.47465	0.4
96.57629	0.4
98.21609	0.8
109.10152	0.7
111.23464	0.4
119.08619	0.6
121.10168	0.8
131.08626	0.6
141.05161	0.4
151.04433	0.5
156.61525	0.5
157.04707	0.9
167.03282	0.5
185.04218	1.8
201.03793	1.4
203.05258	2.6
214.30122	0.4
243.08556	0.6
257.06345	0.8
259.07968	2.0
275.07339	0.5
317.08350	0.8
319.10028	1.0
330.60605	0.4
331.09961	2.3
335.20673	0.9
345.11542	0.6
347.09506	3.2
359.12991	0.6
363.09061	1.4
365.10529	3.4
373.14810	0.7
391.24448	0.8
413.17950	0.5
415.19409	0.9
421.13321	2.6
437.12866	1.0
453.21051	0.7
479.10474	0.5
483.22144	1.8
493.15500	3.8
521.18286	0.5
535.20190	0.9
535.27905	0.8
553.29834	10.9
554.29968	0.6
563.22754	0.5
577.24713	1.5
617.27698	0.7
625.31775	6.3
645.27136	0.7
715.35065	100.0
716.35315	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	714.5506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
54.86137	0.9
55.05513	7.0
56.05022	3.9
57.07069	3.2
60.04512	3.4
65.03925	1.4
67.05495	11.5
69.03432	1.4
69.07063	6.7
70.06564	2.7
70.90784	1.6
70.91122	1.5
71.08618	2.1
79.05493	9.7
80.05015	2.4
80.16871	1.0
81.05770	1.6
81.07052	10.7
82.06572	7.7
83.08608	4.1
85.02898	2.2
85.10223	1.0
91.05466	8.1
91.07019	1.0
93.07027	10.4
94.06566	18.9
95.07350	8.4
95.07905	1.5
95.08591	8.5
96.08137	6.1
97.02874	1.4
97.10148	1.7
105.07014	5.6
107.08572	5.0
108.08109	3.7
109.10142	2.7
119.08572	5.8
121.10120	5.7
122.09661	2.3
123.11697	1.0
124.11285	1.0
133.10120	3.1
135.11653	1.9
149.13223	1.3
219.21088	1.9
233.22675	3.8
237.34099	1.1
245.22655	4.6
250.25232	5.1
254.24753	1.4
262.25290	100.0
263.25946	1.2
272.25894	4.2
280.26343	8.6
310.27301	1.2
345.92184	0.9
373.24960	1.2
436.33707	1.0
504.47406	4.6
516.47742	26.2
518.49207	3.6
534.48730	13.9
696.53729	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	714.5511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	6.2
56.05053	5.5
57.07050	4.1
67.05495	10.8
69.07063	6.5
70.74890	4.6
70.75222	6.5
79.05493	8.5
81.07045	9.7
82.06573	8.1
83.08616	5.6
91.05471	7.4
93.07030	12.0
94.06564	18.5
94.07066	2.8
95.07332	9.0
95.08588	8.5
96.08115	4.0
97.10123	4.2
105.07056	3.8
106.79128	2.8
107.08598	6.3
109.10115	3.6
119.08554	8.1
121.10150	4.4
135.11572	4.0
233.22729	3.1
250.25333	7.4
262.25323	100.0
280.26370	5.4
382.09372	3.0
504.47986	4.2
516.47845	22.4
534.48755	9.8
677.48621	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	713.371
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18401	0.6
55.05522	1.6
57.03442	0.9
61.02921	4.4
67.05504	4.9
69.03431	2.9
69.07074	1.2
69.70332	5.4
71.04995	1.9
72.41741	0.7
73.02927	3.4
79.05507	2.9
80.43079	0.7
81.03413	4.6
81.07059	6.2
83.05007	0.9
83.08624	1.7
85.02908	6.7
87.04420	0.8
91.03978	2.2
91.05486	4.5
93.07050	3.4
94.38107	0.6
95.04983	1.6
95.08623	1.6
97.02883	4.8
98.20660	1.1
99.04495	0.7
101.02415	1.5
105.07067	3.1
107.08628	1.6
109.02890	0.9
109.06525	0.7
109.10197	1.8
111.10339	0.6
119.08627	1.9
121.10204	1.5
123.04469	0.8
127.03945	1.1
131.08585	1.3
133.10175	2.9
147.11719	1.1
157.10204	1.0
159.11739	0.7
159.20952	0.7
169.56120	0.8
177.05545	2.2
177.12778	1.2
193.12321	1.9
210.32088	0.6
224.85960	0.7
243.08403	1.5
267.15945	1.2
321.03806	0.8
389.23270	1.7
404.60760	0.8
437.18005	0.9
469.20560	8.7
485.23807	3.8
551.28143	6.2
552.28949	0.9
641.31427	5.0
713.36780	100.0
714.37360	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	713.312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.2
61.02925	2.1
66.58026	1.2
67.05502	2.6
69.03428	3.8
70.00359	6.8
71.04991	1.7
73.02901	1.4
79.05499	2.4
79.79959	1.1
81.03418	3.0
81.07053	2.8
85.02905	7.1
91.03948	1.1
91.05481	2.8
93.07063	3.3
95.01608	1.1
95.04966	2.5
97.02906	3.2
99.04441	1.5
105.07027	2.4
107.04984	2.5
107.08646	1.3
109.02885	1.6
109.10161	1.8
119.08556	2.0
123.04507	1.6
127.03922	2.3
137.06003	3.5
147.04459	2.3
149.01173	1.3
163.03961	2.0
167.02310	1.4
167.07097	5.0
180.72462	1.1
181.05013	1.5
251.07057	1.6
262.93927	1.2
267.09143	4.4
279.06808	1.4
280.07462	1.3
285.10129	6.7
299.09085	1.3
309.10349	1.8
410.97214	1.1
465.15421	6.5
469.20444	2.7
485.17139	3.3
497.58359	1.3
507.16757	1.2
641.31403	1.4
695.32971	1.4
713.31653	100.0
714.31958	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	713.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.6
55.01853	1.4
55.05491	2.4
57.03424	0.7
65.03927	1.7
67.05505	6.6
68.99785	1.4
69.03424	8.2
69.07042	1.2
69.96374	3.6
71.04972	2.5
79.05478	4.0
81.03400	2.8
81.07051	4.8
83.04980	6.1
85.02881	2.9
91.05469	5.5
92.88255	0.8
93.07026	10.6
95.04959	12.3
95.08611	4.8
97.02879	5.1
97.06515	2.0
101.76823	0.7
105.07021	11.5
107.04939	1.5
107.08589	5.6
109.02872	1.2
109.06508	12.4
109.10153	3.5
111.04437	11.3
111.08036	1.8
113.05965	0.8
114.91129	0.7
117.07003	3.2
119.04971	1.1
119.08579	12.2
121.02865	2.3
121.06488	6.3
121.10128	1.8
123.04417	1.7
123.08095	3.3
127.03894	3.0
128.06223	1.9
129.06984	1.7
130.07771	1.4
131.04910	1.3
131.08559	4.5
133.06499	2.0
133.10095	5.6
135.04384	0.8
135.08034	3.6
137.02313	1.5
137.05997	3.4
137.09607	3.7
139.07509	1.1
141.06984	1.4
142.07765	2.0
143.08560	4.8
145.06483	1.8
145.10107	9.7
146.07332	1.3
147.04436	1.2
147.08026	7.6
147.11679	1.6
148.08778	0.8
149.05965	1.0
149.09630	2.5
151.07549	2.3
153.01817	4.3
155.08545	1.1
155.10631	2.0
156.09357	1.4
157.10097	6.1
158.07243	2.0
158.11040	1.0
159.08060	4.8
159.11668	5.9
161.06006	2.1
161.09613	12.0
163.07486	1.6
163.11145	1.6
165.01825	1.8
165.09097	1.6
167.07173	0.9
168.09305	0.8
169.06572	0.8
169.10117	1.0
171.08044	2.3
171.11623	1.9
172.08784	1.9
173.09598	3.6
173.13258	4.8
174.06769	0.8
175.07536	1.7
175.11186	6.0
177.05411	0.9
177.12735	1.2
181.04836	0.9
183.02892	1.4
183.11749	3.4
185.09622	1.3
185.13161	1.0
187.11131	5.6
189.05412	1.1
189.09076	7.7
189.12810	0.9
193.10088	1.0
196.08806	1.3
199.11124	3.3
201.12778	7.1
203.10664	9.5
205.12239	4.0
207.10150	1.9
211.11237	5.5
213.05441	1.0
217.12224	4.9
219.13681	4.1
229.12231	7.5
231.06519	0.9
235.13219	1.9
241.04903	0.9
247.13281	42.5
258.05103	0.9
265.14343	7.1
276.28885	0.7
287.05478	100.0
299.09125	1.5
331.98969	0.8
333.13358	2.9
340.67416	0.7
345.17291	1.3
391.17465	3.0
409.18597	9.0
427.19638	2.9
431.09341	0.8
559.34601	0.8
645.18207	0.8
684.62402	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63345	0.3
52.65383	0.4
53.03930	1.3
55.01856	1.6
57.03426	0.9
61.02916	0.7
68.99766	1.1
69.03425	4.5
69.10752	0.3
70.06568	0.5
71.04973	0.6
71.57726	0.6
73.02892	1.2
74.96832	0.3
81.03417	6.1
84.55748	0.4
85.02902	11.0
87.00827	4.4
95.04932	0.6
97.02887	3.4
99.04449	1.8
105.01865	2.9
109.02880	5.2
111.00774	1.0
113.95087	0.4
117.01848	0.5
117.17299	0.4
121.02860	1.1
123.04421	1.3
127.03912	7.8
128.06125	0.4
129.01823	0.5
135.04376	0.4
137.02330	4.6
137.03308	0.6
139.03958	0.8
145.04955	2.4
147.02853	0.4
149.02339	0.6
153.01826	2.9
159.02904	2.3
163.03874	1.1
165.01872	1.8
183.02869	0.9
189.05510	0.4
201.05446	1.4
203.03351	0.4
208.30794	0.4
229.04935	3.8
231.05009	1.3
245.04459	0.6
247.06026	1.1
257.04379	3.7
269.04501	0.5
274.04614	0.5
285.03992	1.0
287.05478	14.9
301.07004	0.6
302.16452	0.4
303.04990	100.0
304.05316	1.7
345.06329	0.5
393.12753	0.6
405.20963	0.4
409.09088	0.7
423.06989	0.5
465.10272	11.8
531.43323	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.3
55.01865	2.8
55.05510	13.0
57.03445	16.4
61.02931	3.4
66.87498	2.1
67.05504	55.3
69.07067	18.8
70.01466	5.0
70.01883	8.6
71.01351	2.7
71.04977	2.3
74.91025	2.3
75.69427	2.0
79.05490	41.6
81.07059	39.2
83.04987	10.2
83.08598	5.2
85.02885	2.8
85.06540	4.2
91.05470	20.3
93.07043	56.7
95.04950	6.2
95.08605	26.1
96.17255	2.4
97.06531	10.0
97.10170	7.3
105.07032	7.7
107.08595	31.1
109.06514	2.6
109.10148	12.5
117.07034	5.7
119.08570	10.3
121.10185	15.2
123.08058	2.4
123.11715	2.9
131.08548	3.6
133.10109	7.4
135.11682	49.3
145.10092	13.1
147.11710	4.5
149.13219	3.4
159.11740	4.2
163.11214	7.8
173.13188	4.3
181.12257	14.1
243.21043	3.4
253.14432	4.4
255.15909	100.0
261.22150	11.0
335.25757	43.9
363.17783	2.4
441.33594	2.6
462.26410	2.7
515.37335	62.2
516.37830	2.9
533.38647	2.8
567.10248	2.4
635.15332	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18534	0.4
52.47697	0.4
53.03956	0.4
53.04612	0.4
55.05267	0.4
55.05512	5.0
56.04792	0.3
56.05036	4.2
56.44274	0.4
57.07075	2.5
58.02953	1.1
58.50846	0.3
60.04524	1.0
65.03932	0.9
67.05505	12.5
67.84047	0.4
68.05014	1.6
69.03428	0.4
69.06716	0.6
69.07068	7.8
70.80558	0.4
71.08617	1.3
71.58283	0.4
72.04501	0.5
79.05497	7.5
80.05026	1.9
81.03390	0.4
81.06580	0.6
81.07057	9.9
82.06582	5.0
83.04975	0.9
83.08628	3.4
84.08108	0.5
86.06082	1.9
91.05483	4.4
93.07043	5.7
94.06575	2.1
95.04959	1.2
95.07344	0.6
95.08606	8.2
96.08121	1.3
97.06546	0.5
97.10177	2.3
98.06036	1.1
100.07597	1.3
105.07057	2.3
107.08591	2.8
108.08100	0.8
109.06448	0.5
109.10155	3.1
112.07589	0.8
119.08581	6.3
121.10124	2.1
122.09627	0.8
123.07983	0.4
123.11710	0.7
129.73123	0.4
132.72040	0.4
133.10118	1.8
135.08023	0.9
135.11659	1.2
147.11624	0.4
152.86943	0.4
161.13223	0.5
191.18040	0.5
241.89499	0.4
245.22655	1.1
250.25368	5.5
260.23660	0.6
262.25281	2.1
263.23758	1.0
280.26352	100.0
281.26642	1.6
298.27399	11.1
410.39215	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1556
Annotation	Quercetin 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
51.02380	0.1
53.03946	1.2
55.01873	1.1
56.69185	0.1
57.03439	0.8
59.28607	0.1
61.02923	0.6
65.03933	0.2
68.99787	0.9
69.03427	4.3
69.63904	0.2
69.64333	0.4
71.01360	0.1
71.04994	0.5
73.02919	1.1
81.03416	5.9
83.01344	0.2
85.02903	7.9
87.00822	3.4
87.04447	0.1
91.03940	0.5
93.03403	0.2
95.04974	0.2
95.87321	0.1
97.02285	0.2
97.02892	3.2
99.04449	1.8
101.02353	0.1
105.01862	2.3
109.02875	4.9
111.00789	0.8
111.04459	0.1
115.03946	0.1
117.01844	0.6
121.02861	0.7
123.04409	0.1
123.15469	0.1
127.03913	6.9
129.01814	0.4
135.04407	0.2
137.02336	2.7
137.03397	0.2
139.03912	0.1
145.04955	2.1
146.52431	0.1
147.02896	0.3
149.02328	0.4
153.01819	2.7
155.04872	0.1
159.02890	3.1
159.04192	0.1
161.05963	0.2
163.03928	0.5
165.01828	1.7
166.02640	0.2
171.02826	0.1
173.06006	0.2
177.03873	0.1
183.02939	0.6
183.04369	0.1
187.03912	0.2
191.03348	0.2
195.02869	0.2
201.05472	1.1
205.05003	0.2
213.03842	0.2
219.02960	0.2
219.06567	0.2
228.04189	0.2
229.04950	3.4
231.04999	1.2
233.04579	0.1
239.03384	0.1
247.06021	0.6
257.04422	2.4
267.02911	0.1
274.04846	0.5
275.05450	0.3
285.03964	1.1
287.05481	0.3
302.04410	0.2
303.04974	100.0
304.05304	1.2
327.04843	0.3
345.06039	0.9
369.06186	0.3
383.07135	0.1
411.07086	0.2
433.69257	0.1
460.84930	0.1
465.10291	9.1
466.10147	0.1
502.93448	0.1
533.09424	0.2
596.08679	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	710.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58315	1.0
55.01870	2.8
55.05509	13.1
57.03440	10.8
63.54270	1.1
65.03956	1.1
67.05505	16.4
69.03431	3.2
69.07059	6.7
69.62639	9.4
71.04984	3.7
79.05489	18.3
81.03417	74.2
81.07056	17.5
83.04983	7.8
83.08625	14.2
83.54726	1.1
85.02899	11.2
85.06532	1.2
91.05477	23.5
93.07046	12.8
95.04967	26.2
95.08609	7.6
97.02895	3.4
97.06543	1.7
97.10162	3.3
98.20842	1.8
105.07029	16.9
107.04975	7.0
107.08600	7.9
108.09029	1.3
109.06520	5.1
109.10179	4.2
111.04434	1.9
111.08090	6.3
115.05499	1.1
117.07018	2.6
119.04873	1.5
119.08581	12.7
121.06527	3.9
121.10123	8.0
123.04372	1.5
123.08062	2.1
125.09630	3.3
129.06995	10.8
131.08554	10.1
133.06529	2.2
133.10130	7.3
133.11040	1.3
135.08051	1.9
137.09622	2.3
142.07756	2.0
145.06499	3.4
145.10114	1.8
147.08038	4.4
147.11679	10.4
149.09628	6.0
149.69138	1.3
155.08530	1.7
157.10143	10.9
165.12740	2.7
169.10130	1.6
175.11198	9.4
184.07372	1.4
189.11154	2.3
193.12225	28.3
195.11765	1.4
211.13315	17.1
212.13722	1.2
235.67772	1.4
249.14865	2.9
255.13858	2.7
259.15228	1.2
267.15903	100.0
273.14838	3.2
285.16959	19.1
294.13660	1.1
331.12018	1.2
349.21588	3.5
367.22705	11.5
385.23773	14.6
403.24960	3.1
433.25879	12.6
441.26334	6.3
459.27408	57.4
477.28458	40.6
495.30151	1.6
519.29755	1.9
711.25159	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.8
55.05511	10.5
57.03439	10.7
61.02927	1.5
65.03922	1.2
65.85986	0.9
67.05174	1.0
67.05505	14.0
69.03429	3.2
69.07066	5.7
69.51718	3.5
69.52144	4.1
71.04987	3.6
71.12943	0.9
79.05075	1.0
79.05499	15.4
81.03417	72.1
81.07053	19.1
83.04978	8.2
83.08623	19.8
85.02908	10.1
85.06536	1.3
87.74021	0.7
91.05476	20.5
93.07038	13.2
95.04964	25.5
95.08604	7.4
97.02884	3.2
97.06545	2.1
97.10168	5.5
100.33389	1.0
105.07032	14.0
107.04974	7.4
107.08598	7.8
109.06513	4.8
109.10159	3.7
111.04440	2.9
111.08083	8.5
113.06017	1.1
115.05449	1.7
117.07020	3.9
119.04917	1.3
119.08586	15.3
121.06513	3.6
121.10158	7.7
123.04413	2.0
123.08061	2.1
123.11705	1.4
125.09623	3.2
129.06989	8.5
130.40300	0.9
131.04915	3.0
131.08559	9.1
133.06479	3.3
133.10120	8.1
135.08017	1.1
137.09589	1.0
142.07764	2.4
143.08549	0.9
145.06480	3.4
145.10144	2.5
147.08031	4.5
147.11676	10.4
149.09598	6.7
155.08626	1.5
157.06500	1.2
157.10158	12.4
163.11166	1.2
165.12788	2.1
170.56850	0.8
171.11674	1.1
173.09637	1.1
175.11194	13.3
185.09515	1.1
185.13271	1.3
187.11072	1.1
189.11208	2.0
193.12244	30.3
195.11671	1.4
211.11302	1.6
211.13266	19.8
215.14328	0.9
219.13763	1.6
229.14337	1.4
249.14842	3.3
255.13866	1.1
267.15915	100.0
273.14850	3.5
285.16989	17.8
286.17148	0.9
287.16437	0.9
323.19073	1.1
341.21179	1.7
349.21561	4.2
357.23837	1.6
367.22668	11.2
385.23743	13.2
403.24780	3.6
415.24902	2.2
433.25897	11.7
441.26331	5.7
459.27396	59.7
460.27750	2.2
477.28513	42.8
495.29401	1.0
519.29816	1.0
561.94153	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22858	4.7
52.78817	5.3
53.11772	4.5
53.70034	4.9
55.01864	6.6
55.05509	32.1
56.96542	5.6
57.03432	25.7
61.02919	14.5
66.72759	5.4
67.05174	8.0
67.05502	100.0
69.03421	12.6
69.07059	25.8
71.04977	11.5
71.58623	9.1
73.02898	11.0
79.05487	60.9
81.03412	31.8
81.07050	85.8
82.70995	4.5
83.04960	14.4
83.08614	19.5
84.64130	4.9
85.02885	27.8
85.06566	5.0
91.03950	11.3
91.05480	61.8
93.07033	81.6
94.78117	5.6
95.04958	23.5
95.08582	38.7
96.32409	4.8
97.02868	14.5
97.06515	16.7
97.10149	12.2
105.07034	46.2
107.04886	9.7
107.08579	39.0
109.06544	11.2
109.10169	46.0
111.08076	9.7
117.07008	14.9
119.08573	30.7
121.06512	5.8
121.10134	32.2
125.09628	8.3
127.03903	6.5
129.07014	13.1
131.08551	13.8
132.67989	5.3
133.10095	26.2
135.11688	25.9
143.08531	7.5
145.10092	12.4
147.11682	23.1
149.01178	6.7
149.09624	7.4
149.13255	28.7
151.11166	5.5
155.10507	6.5
157.10127	9.5
159.11697	14.4
161.13290	7.5
163.11136	7.5
171.11684	9.8
173.11757	11.5
173.13248	7.1
175.14813	9.3
177.12866	5.8
184.07346	10.4
193.12270	10.5
195.13834	8.2
229.14359	25.2
241.19507	13.4
259.20502	18.7
266.61700	4.9
267.15869	15.2
269.17407	48.2
277.21628	6.4
281.10300	6.9
285.16873	16.3
301.16418	9.1
351.25220	53.6
355.15964	10.7
357.15530	11.2
357.65576	6.3
388.63559	6.0
423.27301	44.8
477.28244	12.9
495.29431	27.2
684.10919	6.1
710.34186	16.7
711.35791	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16740	1.8
56.96565	7.9
65.79752	1.3
67.05513	2.2
70.10640	5.7
81.07044	2.1
83.70068	1.8
86.73870	1.7
98.97569	21.1
116.98624	28.7
134.99657	39.5
137.05980	27.3
137.06960	2.6
140.00174	2.1
153.00705	9.5
182.34090	1.5
184.07372	2.7
199.80736	1.5
215.44835	1.4
226.11182	9.9
235.02802	25.4
238.01451	2.1
244.12207	8.0
253.03845	68.2
271.04929	5.1
276.05365	8.7
404.17456	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.9
53.03936	3.5
55.01857	3.7
55.05509	20.3
57.03438	14.1
57.07055	2.2
59.04997	2.3
61.02921	4.4
63.40044	0.9
65.03927	3.2
66.73528	0.8
67.05503	64.0
69.03427	3.7
69.07061	9.9
69.70189	4.6
71.04988	25.3
73.02904	1.5
73.06525	0.9
79.05492	36.0
81.03415	48.5
81.07053	100.0
83.04979	13.4
83.08137	1.8
83.08618	21.7
85.02901	21.7
85.06540	11.6
91.03964	2.3
91.05477	47.0
93.06475	1.7
93.07042	29.4
95.04963	23.1
95.08604	13.3
97.02873	6.0
97.06524	8.6
97.10170	6.0
99.04448	1.0
99.08094	3.4
105.07030	27.8
107.04964	6.9
107.08593	15.6
109.06511	6.9
109.10152	10.1
111.04417	2.9
111.08067	10.5
113.06017	2.2
115.05415	1.3
117.07011	4.9
119.08581	18.8
121.06497	3.4
121.10139	12.6
123.08073	3.0
123.11703	15.2
125.09599	2.9
125.49956	1.0
126.89784	0.9
127.03900	0.9
129.07013	9.6
131.08566	13.2
133.06494	2.7
133.10124	24.9
134.10439	1.5
135.08110	1.0
135.11679	3.4
137.09605	1.1
142.07755	2.2
143.08394	1.2
145.06517	1.2
145.10121	3.0
147.08031	2.6
147.11684	15.4
149.09619	6.6
149.13237	5.3
151.11180	7.5
151.48404	0.9
157.10118	12.1
159.11714	6.0
163.11217	2.1
165.12741	2.4
169.12218	0.9
171.11697	1.0
175.11188	12.6
177.12665	1.6
183.13776	3.6
187.13248	4.3
193.10414	1.2
193.12227	31.1
195.13817	2.7
211.13293	36.9
222.29153	0.9
229.14372	1.8
243.15958	3.0
249.14679	1.1
257.17307	1.8
267.15918	20.5
269.17505	11.3
275.20050	3.1
285.16956	24.2
286.17294	1.2
301.20038	13.7
343.22678	1.1
349.23788	11.5
369.24594	1.0
417.26709	2.0
435.27411	27.2
443.28088	2.0
453.28442	74.8
454.28741	1.7
461.28949	31.1
467.29996	12.2
479.30042	42.7
480.30215	2.3
493.31454	2.7
511.32764	49.1
512.32727	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	708.416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.0
55.05515	8.9
57.03432	10.7
57.07066	1.2
60.56084	1.2
67.05171	2.6
67.05505	29.1
69.03432	1.2
69.07076	10.2
69.44630	6.8
69.45052	4.4
71.04993	4.2
79.05493	22.7
81.03417	51.0
81.07055	34.4
83.04981	5.6
83.08617	15.5
91.05483	16.5
91.36682	1.2
93.07050	26.3
95.04964	14.9
95.08614	8.5
97.02880	2.2
97.06542	5.7
98.20740	1.7
99.08083	1.8
105.07025	9.1
106.16004	1.2
107.04940	4.4
107.08588	14.4
109.06499	2.8
109.10149	2.0
111.08093	5.2
111.39599	1.2
115.05476	1.4
117.06993	5.9
119.08581	6.8
120.85178	1.2
121.06504	3.0
121.10139	11.7
123.11711	1.9
125.09633	1.8
129.06992	4.8
131.08600	7.9
133.06487	2.7
133.10147	7.8
135.08069	1.8
135.11711	4.3
141.89072	1.2
142.07806	1.6
147.08038	2.3
147.11687	4.9
149.09653	3.6
149.13260	15.0
154.20523	1.4
157.10103	6.6
159.11703	4.4
175.11234	6.4
177.12692	3.4
193.12218	13.2
195.13834	4.3
211.13246	2.8
267.15912	47.7
269.17465	38.6
270.18018	1.7
435.27429	4.1
453.28421	3.5
461.28992	100.0
462.29358	3.9
479.29877	2.2
503.29944	1.7
511.32236	2.6
691.66547	1.5
709.32068	1.4
724.75751	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33662	1.6
50.72123	1.7
53.03934	3.0
55.05509	11.6
57.03423	5.8
58.44921	1.6
61.02911	1.7
67.05504	45.3
69.03410	2.8
69.07069	12.0
69.48577	1.6
71.04995	16.5
71.58667	1.8
76.84774	1.6
79.05482	19.4
81.03415	7.2
81.07057	100.0
83.04968	7.3
83.08611	9.9
85.02900	2.7
85.06530	8.3
86.09629	1.6
91.03934	2.2
91.05477	25.5
93.07063	14.1
95.04981	3.6
95.08602	13.6
97.02891	3.5
97.06521	6.5
97.10143	4.4
103.03986	1.7
104.34959	1.6
105.07034	21.7
107.08585	13.2
109.06498	3.8
109.10146	7.7
116.98600	1.7
117.07008	3.7
119.08581	19.6
121.10155	15.2
123.08035	4.2
123.11710	27.0
125.09586	3.4
129.06996	2.4
131.08603	4.2
133.10121	11.4
135.11607	2.8
145.10086	2.6
147.11682	40.9
148.12115	1.5
149.09648	2.1
149.13245	5.1
151.11172	5.2
159.11674	6.9
163.20100	1.6
165.12787	13.5
183.13785	2.8
187.13268	4.6
193.12180	3.0
211.13266	1.9
229.14342	6.8
234.76390	1.8
243.15985	3.9
267.15906	43.1
269.17545	12.6
284.16544	4.2
285.16879	16.9
301.20053	8.5
351.92239	1.7
354.26227	1.8
368.25208	1.7
398.29211	1.6
435.26968	2.4
453.28461	40.8
454.28433	1.9
467.29865	7.0
479.30045	74.8
480.30362	5.4
511.32816	28.1
512.32861	2.4
568.60382	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	10.7
55.01867	17.9
55.05510	40.5
57.03431	26.0
61.02915	7.0
65.03941	3.6
67.05502	71.2
69.03418	7.4
69.07065	22.3
71.01329	4.9
71.04977	12.7
71.58559	4.1
73.02913	6.4
77.71483	2.2
79.05489	70.8
81.03413	100.0
81.07053	71.8
83.04976	39.6
83.08614	29.1
85.02897	36.4
85.06527	6.7
85.86735	2.4
88.56509	2.0
91.03918	2.5
91.05473	68.5
91.78998	2.5
93.07044	47.2
95.04967	45.1
95.08604	26.3
97.02891	20.9
97.06501	11.7
97.10162	15.1
99.04488	2.5
99.08083	2.8
105.07023	40.2
107.04949	34.7
107.08587	29.2
109.02854	3.9
109.06498	8.8
109.10154	28.9
111.04424	17.5
111.08093	16.6
115.05424	3.5
117.07015	12.5
119.08583	33.7
121.06526	6.9
121.10130	22.6
123.04458	3.7
123.08073	4.1
123.11677	4.6
125.05995	3.4
125.09620	10.1
127.03941	3.7
129.05490	3.7
129.07002	20.0
131.08572	25.5
133.06479	3.2
133.10132	27.5
133.47279	2.3
135.08025	4.3
135.11699	22.6
137.09569	5.2
139.03897	4.3
141.23116	2.2
142.07791	4.2
145.06442	3.7
145.10086	21.5
147.08058	6.3
147.11697	18.5
149.09601	11.7
153.12721	18.0
157.08829	3.8
157.10132	18.4
163.11186	35.9
165.09077	5.1
173.09651	8.4
173.11699	11.3
174.68040	2.7
175.11177	21.3
181.12207	13.6
191.10605	13.8
193.12244	62.0
199.13269	7.0
208.13968	2.4
209.11736	16.7
211.13286	49.0
227.12819	22.7
229.14310	19.5
247.13258	3.0
249.14885	2.6
255.15941	5.0
259.44122	2.5
265.14307	12.3
267.15878	42.2
275.52524	2.9
283.15332	27.8
285.16895	25.5
301.16409	8.3
377.15607	2.3
421.25735	9.5
435.27521	3.7
439.26956	22.5
453.28549	4.1
457.25604	2.9
459.27295	3.1
461.28748	9.4
475.26785	5.2
479.29483	6.2
493.27536	21.0
511.29041	9.0
546.64661	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	708.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40560	2.8
53.03942	8.2
55.01879	15.0
55.05512	41.0
57.03438	21.5
61.02917	9.0
67.05503	84.3
68.69141	3.0
69.03417	7.5
69.07064	20.4
70.09032	13.4
71.01341	2.6
71.04977	11.3
73.02914	6.3
79.05492	66.0
81.03418	100.0
81.07055	57.5
83.04984	34.2
83.08611	30.9
85.02908	30.3
85.06519	4.6
91.03970	3.6
91.05476	63.3
93.07037	50.9
95.04960	43.2
95.08605	27.2
97.02900	18.2
97.06529	10.5
97.10148	13.8
99.04420	5.3
99.08109	4.5
105.07024	40.3
107.04953	33.3
107.08578	24.5
109.02849	5.6
109.06522	9.3
109.10168	33.3
110.45225	2.5
111.04451	11.3
111.08085	19.0
113.06013	4.9
117.07050	14.2
119.08585	35.8
121.06547	7.9
121.10127	23.2
123.04395	4.0
123.08089	6.1
125.09630	13.4
129.05481	4.0
129.06990	16.9
131.08565	23.9
133.06450	3.6
133.10107	23.0
135.08058	5.2
135.11688	21.6
137.06015	3.2
137.09598	3.5
142.07745	7.0
144.29427	2.8
145.10088	18.8
147.08043	8.5
147.11685	17.3
149.09561	16.1
153.12764	13.8
157.10103	18.8
161.09618	6.5
163.11169	32.0
165.09013	3.4
165.12773	6.4
173.09625	10.3
173.11739	10.2
175.11153	18.0
181.12219	16.2
184.07249	3.8
191.10652	9.9
193.12251	59.7
199.13362	8.7
209.11732	15.7
211.13293	66.0
215.49672	2.9
227.12755	21.0
229.14330	20.9
255.15971	4.7
265.14365	8.9
267.15878	39.5
283.15326	31.8
285.16992	32.7
301.16428	13.1
301.19711	3.1
399.07196	3.2
421.25934	11.6
439.26767	18.2
447.27252	5.4
457.24850	3.2
461.28903	7.6
466.25208	2.8
475.26865	6.9
479.29657	4.6
493.27762	33.1
511.28690	23.1
708.36096	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	707.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	12.7
55.01861	8.6
55.05510	36.2
57.03424	14.2
61.02909	4.1
65.03928	7.3
67.05175	6.9
67.05509	92.9
69.03432	27.4
69.07065	22.8
70.28757	3.3
71.04983	13.9
71.32127	4.5
71.32445	5.3
79.05496	66.5
81.03418	100.0
81.07063	93.9
83.04984	60.4
83.08606	23.1
85.02908	21.3
85.06558	4.9
91.05473	55.4
93.07048	71.7
95.04971	36.4
95.08608	49.6
95.93342	3.4
97.02905	30.0
97.06538	7.6
97.10175	6.6
99.04451	5.3
105.07023	38.2
107.04938	8.4
107.08591	35.9
109.02903	17.0
109.06506	7.1
109.10152	26.2
111.04451	23.4
111.08079	15.2
115.05476	3.9
117.07023	16.7
119.08578	37.1
121.10160	29.2
123.08053	6.7
123.11725	9.4
125.09624	4.4
127.03919	15.3
129.05484	15.8
129.06982	16.6
131.08568	25.5
133.06445	3.4
133.10107	29.1
135.11681	13.5
143.08549	6.4
144.61601	3.8
145.06461	4.9
145.10126	26.0
147.08034	5.8
147.11707	23.6
149.09622	9.2
149.13344	4.2
153.12698	6.4
155.08546	5.7
157.10133	16.3
159.11697	10.0
161.13275	8.1
163.11185	9.5
165.12750	5.3
173.13269	8.3
175.11215	15.0
181.12239	8.5
181.36717	4.1
185.13280	4.9
187.14882	4.3
189.11223	3.9
191.10562	7.8
192.43083	3.5
193.12259	44.2
195.11449	3.8
211.13290	66.0
211.15218	3.5
217.05051	4.2
223.14638	3.8
227.12733	13.7
229.14256	5.5
243.58397	3.5
261.22156	12.9
267.15869	15.7
272.92181	3.6
283.15393	7.9
283.96939	4.1
285.17014	16.3
335.25967	31.3
337.27264	12.5
351.22943	4.0
353.16006	3.8
355.17566	4.8
369.24484	8.0
402.41879	4.0
527.37054	9.9
545.38190	36.1
689.42572	17.6
707.41785	14.1
711.60669	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	707.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	13.4
55.01884	8.8
55.05511	35.7
57.03423	15.4
57.07077	7.0
67.05179	5.0
67.05507	69.9
69.03432	20.1
69.07070	22.4
70.18667	16.0
71.04974	9.7
73.02946	4.2
79.05494	64.6
79.05927	2.6
81.03415	100.0
81.07059	85.3
83.04984	40.0
83.08632	25.1
85.02882	19.9
87.04466	42.0
91.05482	49.0
93.07049	64.5
94.07391	3.3
95.04961	31.6
95.08617	55.7
96.08904	3.6
97.02893	21.1
97.06542	9.3
97.10150	10.7
98.98476	4.3
104.33136	3.3
105.07037	41.5
107.04955	11.6
107.08589	34.6
109.02883	12.9
109.06503	9.9
109.10149	26.3
111.04444	17.1
111.08082	13.6
117.06989	15.7
119.08580	36.7
121.06527	7.4
121.10146	28.2
123.08061	4.2
123.11698	10.6
125.09624	3.8
127.03851	9.6
128.06242	4.0
129.05473	13.2
129.07011	15.2
131.08577	25.0
133.06465	5.0
133.10130	26.0
135.08069	7.2
135.11682	15.8
145.06511	3.7
145.10135	23.8
147.11674	23.3
149.05928	3.4
149.09631	9.6
153.12730	6.5
157.10123	19.8
159.11722	7.8
161.13234	6.1
163.11186	12.4
165.12790	4.2
169.10123	5.7
171.11641	4.8
173.13289	3.8
175.11183	9.0
181.12253	10.0
183.11684	6.5
191.10570	6.9
193.12250	26.7
209.11592	4.5
211.13281	47.5
218.16374	3.3
227.12776	18.1
229.14415	5.0
259.20679	4.9
261.22122	8.5
267.15897	11.9
275.20007	5.7
277.21622	5.6
283.15445	10.6
285.16840	25.9
301.21732	4.7
335.25739	22.6
337.27347	12.0
351.23056	5.5
355.17734	4.0
369.24249	8.5
429.21182	4.8
496.73694	3.8
527.37274	10.3
545.38385	23.7
563.38989	4.3
609.44855	7.4
671.41052	6.5
689.42090	11.4
707.42963	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	707.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.2
55.01862	11.0
55.05509	39.0
57.03429	16.1
57.07071	7.2
65.03947	7.5
67.05173	6.8
67.05505	94.4
69.03432	24.8
69.07069	22.3
71.04989	7.7
71.58725	3.6
71.59151	7.4
74.55555	5.2
77.40398	4.3
79.05495	64.2
81.03422	100.0
81.07058	91.6
83.04985	46.1
83.08612	17.9
85.02901	16.6
91.05482	43.5
93.07051	61.0
93.45435	4.6
94.38525	4.3
95.04955	37.5
95.08604	51.7
97.02906	14.4
97.06517	16.3
97.10144	12.5
99.04479	6.1
105.07033	45.5
107.04967	7.3
107.08585	42.2
109.02891	9.5
109.06499	9.7
109.10161	32.2
111.04454	22.4
111.08098	16.9
111.69405	4.3
115.05492	5.1
117.07014	17.8
119.08591	31.3
121.06528	8.6
121.10135	30.8
123.08034	5.7
123.11752	5.6
125.09669	5.1
127.03908	10.6
129.05498	11.5
129.07014	13.5
131.08559	24.8
133.06450	5.7
133.10115	25.0
135.08081	5.0
135.11708	21.9
143.08485	7.3
145.10123	22.6
147.11707	22.2
149.09612	4.8
153.12627	5.3
157.10146	11.0
159.11676	13.5
161.13220	5.8
163.11166	11.7
165.12767	5.5
169.10152	5.2
171.11638	9.5
173.09802	5.0
173.13210	11.3
175.11182	7.7
183.11725	6.1
185.13264	6.0
189.05368	4.1
189.11115	5.9
191.10728	9.6
193.12256	28.4
211.13266	42.0
227.12827	17.9
229.14310	6.6
261.22089	5.1
267.15979	15.5
275.19916	6.0
283.15350	8.0
285.16949	14.9
327.23248	5.4
335.25864	29.1
365.65399	4.8
368.53860	5.3
369.24319	6.3
427.19897	5.7
429.92642	5.3
494.19998	5.6
527.37268	13.4
545.38263	25.3
689.41827	16.1
707.40405	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	707.209
Annotation	Unknow
Peak:m/z	Relative Intensity
61.48086	0.8
62.19981	0.9
63.54073	0.7
69.27389	0.9
69.28906	0.9
71.57278	1.9
72.54086	0.9
76.43797	0.9
79.67271	0.8
82.28906	0.8
82.99873	0.9
96.67844	0.8
97.02907	1.8
98.97600	1.4
101.00889	3.0
119.01917	12.1
129.56731	1.0
131.01888	3.3
133.03465	1.8
137.02939	3.3
143.01883	12.4
145.03442	7.7
155.01865	7.2
157.03496	5.0
161.02960	20.7
163.03865	2.4
167.01903	5.0
169.03441	2.1
171.05006	3.4
173.02968	18.6
173.04398	0.7
175.04535	1.5
179.01862	1.9
184.04486	1.0
185.02959	37.0
187.04501	3.3
191.04074	1.1
197.02963	14.1
199.04401	1.1
203.04048	11.2
208.04463	1.8
215.04025	8.9
221.04970	1.2
227.03996	9.2
231.07036	1.1
237.02837	1.2
245.05072	100.0
246.05255	2.1
257.05127	5.8
263.06119	16.5
275.06116	11.7
286.07748	1.4
293.07214	4.3
305.07208	8.2
321.10458	1.7
335.08209	3.6
347.08060	1.6
365.09308	41.0
383.10379	4.9
394.05771	1.0
400.08444	0.9
401.11496	1.1
425.05655	1.5
425.11392	30.1
437.11362	2.0
455.12485	1.7
536.77173	1.0
586.24683	1.0
614.01447	1.0
649.24060	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51146	2.2
53.03935	4.5
55.01867	5.7
55.05510	19.5
57.03430	12.0
57.07065	7.1
60.95269	2.0
64.06902	2.1
65.03944	2.5
67.05170	3.5
67.05502	40.2
69.03358	2.1
69.07063	16.7
71.03807	6.7
71.04996	5.6
71.08634	4.9
75.85648	2.4
79.05490	34.0
81.07058	45.7
83.04977	4.3
83.08615	12.4
85.06520	3.6
86.09707	4.9
87.04451	9.4
91.05485	29.7
93.07047	33.7
95.04950	9.0
95.08603	26.5
97.06517	2.8
97.10170	4.7
98.98467	32.7
99.08092	9.3
105.06392	2.9
105.07030	30.7
107.08591	20.7
109.06496	5.8
109.10168	12.0
111.08058	4.3
113.09580	2.9
115.05448	2.7
116.99612	3.3
117.06327	2.1
117.07023	15.6
119.08576	25.1
121.10161	17.0
121.32656	2.2
123.08037	3.1
123.11735	2.9
124.99988	2.7
128.06158	4.1
129.06981	17.1
130.39554	2.2
131.08560	27.0
133.10129	20.8
135.08057	3.4
135.11681	8.0
141.06975	6.3
142.07787	6.6
143.08582	22.2
144.09338	3.2
145.10114	22.5
147.11687	10.2
149.09619	6.2
149.13232	4.2
155.01065	4.9
155.08513	13.4
157.10136	16.5
159.08102	2.4
159.11661	17.9
161.09602	2.4
161.13277	6.8
167.08554	6.0
169.10126	17.5
171.11690	12.7
173.13263	6.9
175.14893	3.6
179.08511	3.1
181.10120	8.4
183.11668	16.1
184.07362	11.5
184.12384	2.2
185.13263	12.1
195.11664	10.7
197.13263	8.3
199.14880	5.5
201.16435	4.0
207.11757	2.6
209.13235	4.4
211.14812	8.5
213.16370	2.6
215.17885	2.2
219.17461	4.2
221.13210	5.0
223.14822	4.8
225.16557	3.8
227.17921	2.9
237.16403	3.4
239.18088	5.5
241.19627	2.8
257.19205	3.9
275.19998	8.5
277.21570	3.5
349.24155	4.2
351.25739	3.4
363.43420	2.4
437.34393	3.1
449.34247	3.5
454.33554	2.7
499.38727	3.9
515.39410	2.6
517.40350	9.1
535.41510	13.2
537.39276	5.2
551.41058	3.6
553.42462	8.7
591.44043	19.8
592.44550	3.2
609.45105	100.0
610.45349	6.8
627.45746	5.1
635.36792	7.3
649.38239	5.0
651.07074	2.8
669.74646	2.3
689.42004	23.7
707.40973	13.2
707.49182	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	707.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04916	3.4
53.03946	9.0
55.01867	7.2
55.05512	38.6
57.03433	16.7
57.07068	3.7
59.79099	4.0
65.03931	5.6
67.05508	100.0
67.44450	3.8
69.03429	25.9
69.07092	20.4
71.04988	11.7
72.13254	3.7
79.05498	70.4
81.02982	7.4
81.03422	99.1
81.07060	97.5
82.07420	4.4
83.04985	42.0
83.08605	23.8
85.02910	17.0
91.05486	56.9
93.07050	70.5
95.04969	36.1
95.08611	54.2
97.02896	22.2
97.06547	13.0
97.10191	10.5
97.41285	3.9
98.21537	8.3
98.98441	6.0
99.04468	12.1
105.07038	51.0
107.04942	9.9
107.08620	39.8
109.02879	10.4
109.06521	8.3
109.10161	33.0
111.04458	19.1
111.08078	10.8
117.07061	19.7
119.08578	39.6
121.06479	8.2
121.10138	31.8
123.08051	6.3
123.11713	9.9
125.09626	5.4
127.03954	9.3
129.05478	15.7
129.07008	14.9
129.57204	4.9
131.08578	38.0
133.10136	27.8
135.11678	18.2
137.09578	6.4
137.48143	3.6
143.08539	10.3
145.10115	21.8
147.11708	24.1
149.09636	8.4
149.13240	9.3
153.12749	6.7
155.08606	6.5
157.10168	21.7
159.11717	11.6
161.13287	10.0
163.11159	9.6
171.11685	7.7
173.09679	5.8
173.13286	11.6
175.11205	9.0
181.12135	5.0
183.11661	5.0
185.13171	4.4
191.10651	12.6
193.12288	39.5
197.13246	4.7
211.13272	62.9
215.09264	4.2
227.12778	21.4
261.22284	11.3
263.61243	3.9
267.15909	9.6
270.17743	3.9
275.20197	5.6
276.20465	4.3
277.21613	6.7
285.17053	13.5
335.25931	34.2
337.27249	13.3
445.71161	5.0
461.28955	5.8
527.37445	7.1
545.38470	39.6
602.65094	4.2
609.45056	15.3
689.41644	16.5
707.43140	12.7
722.15607	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	707.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	16.8
58.18779	0.6
65.03659	0.8
67.05509	0.9
69.07095	0.9
71.58829	1.1
71.76194	0.7
79.05469	1.5
81.07051	9.4
84.96032	8.5
95.08602	2.5
97.96832	1.2
98.16526	0.6
98.97578	51.8
102.97053	1.9
110.97584	2.8
112.99129	6.3
115.97836	1.9
116.98614	59.7
120.98133	0.7
128.98587	6.9
131.00163	20.7
133.98885	1.0
134.99652	43.3
137.05998	1.4
140.00208	3.2
140.98630	1.2
142.96535	1.3
143.00146	1.4
144.98117	2.5
146.99655	11.3
149.01222	31.4
152.98645	0.9
153.00710	6.9
154.01724	1.7
158.01277	4.0
158.99646	27.0
160.97586	2.9
161.01224	5.6
162.99124	7.5
165.00720	2.4
167.02271	5.2
170.01372	0.8
170.99678	2.9
171.91760	0.6
172.02788	1.3
173.01218	20.7
174.99130	2.8
177.00708	54.8
178.98643	1.2
179.02269	2.0
181.00209	1.1
182.01236	0.7
184.97580	1.3
185.01270	1.4
186.99158	1.3
187.00768	0.8
187.02719	1.3
189.00674	5.8
191.02264	36.6
193.00102	1.2
195.01767	6.7
198.99272	0.8
199.02841	0.9
200.02295	5.1
201.00716	8.7
202.98613	10.1
203.02267	1.6
205.03796	0.8
207.01794	1.2
209.03305	2.9
211.10022	1.2
212.02217	0.8
214.03937	5.1
217.00288	0.8
219.01758	24.5
220.99693	3.4
226.00256	1.3
229.11090	1.7
231.01834	1.7
233.03340	3.0
235.01140	0.8
237.02806	37.6
242.03426	2.2
243.01891	1.2
244.99701	12.0
253.02322	3.2
253.11150	5.6
255.03844	4.4
259.01117	0.9
260.04413	2.4
261.02847	6.6
263.00739	5.0
271.12122	1.6
275.04315	1.1
277.02289	1.5
279.03876	2.1
279.12714	1.7
287.00656	1.9
295.12097	1.9
297.13721	1.8
303.03931	2.4
305.01801	2.4
321.04904	1.4
323.02969	6.4
329.01651	2.7
346.04642	1.2
347.02832	2.2
355.14236	39.5
363.11160	1.9
367.18027	1.5
373.15332	44.7
389.03958	2.2
396.17010	4.2
397.15329	100.0
398.15933	1.4
407.05035	3.1
415.16388	27.1
433.02802	2.3
438.18039	1.2
441.14331	41.7
441.20435	1.6
442.14645	0.9
451.03961	2.7
467.06903	1.5
511.05667	2.6
571.07806	1.2
665.75024	0.8
716.06482	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.6
55.01868	1.4
55.05510	5.7
57.03434	2.0
60.08171	5.4
61.08514	0.7
65.03931	1.0
67.05508	10.1
69.03427	3.2
69.07059	3.8
71.04987	2.0
71.07375	3.3
71.58568	1.5
72.23486	0.9
74.77664	0.7
79.05495	7.3
81.03417	14.6
81.07059	12.8
83.04980	6.9
83.08614	3.7
85.02896	3.4
86.09705	29.1
87.04455	1.8
87.10051	4.9
91.05476	8.2
93.07044	7.6
95.04969	4.5
95.08600	7.6
97.02895	3.4
97.06553	0.8
97.10138	0.9
98.98463	3.7
104.10748	1.8
105.07032	6.0
107.04952	1.7
107.08588	5.2
109.02887	2.0
109.06500	1.0
109.10142	4.1
111.04434	2.1
111.08075	1.3
112.53440	0.9
116.55693	0.8
117.07015	1.2
119.08593	4.2
121.10157	3.1
123.11717	1.3
125.00005	20.9
125.09563	0.9
126.00359	1.0
127.03922	1.1
129.05478	2.1
129.07010	2.0
131.08574	3.1
133.06468	0.8
133.10146	2.7
135.07991	0.9
135.11720	3.2
143.01093	0.9
143.08578	1.1
145.10110	3.0
147.11726	2.8
149.09589	1.1
149.13264	0.9
157.10147	2.3
159.11719	2.1
163.11179	1.6
175.11194	0.8
181.12233	1.0
184.07338	100.0
185.07675	16.2
191.10643	1.2
193.12325	5.0
197.13441	0.8
211.13283	8.2
227.12820	2.0
261.22159	1.6
267.15829	1.7
277.15671	0.9
277.21402	0.8
283.15402	1.4
285.16971	1.5
335.25836	6.3
337.27319	1.8
459.89264	0.8
489.38739	1.0
527.36963	1.2
545.38330	5.1
609.44733	2.6
689.42352	2.1
707.40662	3.9
707.47186	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	706.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05057	0.5
57.07092	0.4
60.08161	5.6
67.05527	1.4
69.03454	0.7
69.07081	0.6
71.07381	3.1
71.58894	0.3
76.18551	0.3
78.62891	0.3
79.05507	1.0
81.03445	0.6
81.07076	1.2
83.04987	0.6
85.02940	0.3
86.09705	29.4
87.04469	2.2
91.05506	0.7
93.07078	1.2
95.05000	0.4
95.08600	0.4
98.98490	2.7
104.10748	2.3
105.07025	0.6
107.08655	0.6
111.04457	0.3
117.07063	0.4
121.06515	0.3
121.10198	0.3
125.00006	20.1
133.10181	0.4
184.07343	100.0
185.07700	0.8
192.32260	0.3
211.13315	0.5
539.60767	0.4
543.34375	0.8
544.35425	2.9
706.39740	16.4
707.39362	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96483	0.6
56.96554	3.0
64.53735	0.8
66.72437	0.6
70.00734	0.6
70.12421	2.7
70.89511	0.7
84.96004	0.8
85.02890	0.9
88.97661	0.7
98.97594	3.6
101.00877	1.1
103.02475	0.8
110.97563	0.9
113.00839	0.8
115.02428	2.5
116.98637	3.3
119.01913	8.2
119.04951	0.8
121.03452	1.5
125.80267	0.7
128.98575	1.3
131.00186	1.4
131.01892	5.7
133.03459	18.2
134.99677	1.9
137.02957	1.8
141.04007	0.8
143.00180	0.7
143.01869	4.0
145.02641	1.3
145.03494	3.2
146.99623	2.0
147.01398	0.9
147.05009	3.1
149.01170	2.1
149.03017	0.9
151.04521	7.4
153.04056	0.8
155.01880	7.3
156.02695	0.8
157.03452	4.7
158.99615	2.0
159.05028	9.9
161.01233	1.3
161.02959	8.4
161.06616	1.0
163.03905	1.4
165.06133	1.7
169.03441	1.5
170.99683	0.8
171.05011	7.5
173.01434	1.4
173.02939	11.4
175.04492	6.2
177.00728	2.2
177.05827	4.6
179.01920	1.8
182.88632	0.7
183.05060	4.7
185.02951	4.9
185.06656	1.4
187.04532	2.7
189.00682	2.9
189.06084	3.8
191.02374	1.0
191.03990	0.9
195.07162	5.3
197.02931	6.7
197.06570	1.6
199.04533	1.4
201.00648	3.4
201.06105	3.4
203.04042	3.5
203.07755	0.8
205.05493	1.1
207.04958	0.9
207.07036	0.7
211.04550	1.9
213.06096	1.6
215.04031	1.2
217.05461	0.8
219.01779	4.2
219.07147	22.5
219.09203	1.4
221.03084	1.6
221.05052	12.9
225.06096	2.2
225.08170	1.4
231.07135	24.5
233.08714	5.1
237.02890	3.8
243.01788	1.0
245.05075	25.8
247.06642	0.9
249.08263	1.5
255.07118	8.9
259.06662	1.7
261.02756	4.6
261.05310	0.6
261.08127	4.1
263.06134	3.1
269.03128	3.7
273.02628	0.7
273.08212	9.0
279.03934	3.2
287.04352	5.9
287.14529	0.7
291.03891	1.3
291.09631	0.9
311.04407	2.6
321.10297	100.0
322.10565	1.3
323.09964	1.0
337.07965	1.2
339.11530	5.7
351.11319	5.7
353.05273	0.7
353.11008	1.1
355.09268	1.0
365.09207	2.6
395.10513	1.1
399.08093	0.8
413.07498	1.3
425.11172	2.6
483.13489	1.8
497.15054	2.3
501.14548	4.9
509.13559	1.3
513.12915	1.6
515.16351	5.4
527.14172	2.8
575.12659	4.5
631.62885	0.8
671.16254	2.5
689.17700	19.5
707.18323	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.5
55.01871	8.8
55.05231	1.7
55.05508	32.6
56.05815	1.6
57.03183	2.1
57.03432	20.3
57.07080	2.3
61.02924	11.5
67.05505	48.7
68.05822	4.1
69.03429	14.0
69.07075	13.9
71.04990	8.1
71.58772	2.9
73.02910	6.2
76.80602	1.7
77.03937	1.9
77.06074	1.7
79.05066	3.6
79.05495	44.8
79.05943	1.7
80.05801	4.9
81.03418	100.0
81.06582	3.0
81.07053	45.6
82.03725	3.0
82.07363	3.6
82.43018	1.6
83.04990	11.3
83.08622	26.9
85.02904	14.3
85.06504	2.8
86.03204	1.8
86.09693	4.2
91.03951	7.5
91.05482	39.1
92.05826	4.4
93.07043	35.7
94.07365	4.1
95.04969	37.1
95.08611	21.2
96.05287	1.8
96.08934	3.9
97.02888	11.4
97.06515	7.4
97.10177	23.3
97.25576	1.7
98.03159	1.8
98.10502	2.6
99.04484	4.5
105.07033	31.4
106.07370	4.2
107.04951	15.6
107.08598	25.3
108.08923	3.2
109.02863	2.1
109.06510	13.7
109.10149	14.4
110.10472	2.2
111.04430	3.5
111.08101	10.3
115.05425	3.8
117.07042	15.4
119.08590	28.6
120.08953	4.3
121.06508	13.7
121.10140	15.2
123.04404	3.1
123.08059	7.0
123.11669	4.7
125.09626	13.2
127.03912	3.2
128.06186	2.1
129.07021	20.1
130.07343	2.7
131.08566	23.2
132.08885	4.7
133.06485	5.1
133.10143	14.2
134.10382	2.0
135.08040	6.1
135.11684	6.5
137.09618	3.3
138.57065	1.8
139.11118	2.4
142.07762	4.1
143.08572	8.6
145.06483	7.9
145.10146	12.3
146.10455	5.2
147.08066	5.7
147.11691	14.2
148.11972	2.0
149.09586	8.8
149.13274	3.6
151.11089	1.9
153.09087	2.4
153.12862	2.1
155.08514	5.7
157.10141	15.9
158.10500	3.4
159.08026	3.4
159.11755	8.9
160.12016	3.2
161.09662	3.2
161.13261	2.9
162.13618	1.9
163.11159	7.1
165.12755	2.8
167.08540	2.3
169.10143	4.4
170.10388	2.4
171.07983	4.3
171.11653	8.8
172.12141	1.9
173.09575	3.9
173.13254	3.4
174.13589	2.0
175.11206	13.7
181.10104	2.9
183.11607	3.6
184.07256	12.1
184.12239	2.2
185.09608	3.4
185.13232	3.9
186.13614	3.1
187.11185	2.8
187.14751	3.9
188.15181	1.9
189.11218	4.2
193.10306	3.0
193.12245	23.9
194.12526	1.8
195.11696	2.8
195.13501	2.1
196.12059	2.9
197.13283	3.2
198.13618	2.7
199.11186	2.3
209.13361	1.9
211.13271	6.6
211.15009	2.7
212.13548	2.0
213.12898	2.4
219.13792	3.9
227.12769	5.8
228.12984	1.9
229.14330	3.4
233.15355	3.5
237.12711	2.9
241.19554	1.9
249.14740	2.6
259.58817	1.9
267.15918	76.5
268.16342	2.9
273.14786	4.2
299.23605	3.3
300.24063	2.9
330.21213	2.1
349.21579	3.5
367.22546	13.3
385.23752	21.6
403.24728	7.0
423.26947	2.1
434.31223	4.3
441.25998	2.2
452.32483	4.4
459.27393	76.1
460.28082	2.8
470.33246	2.7
477.28479	38.1
491.30191	5.3
501.28107	3.2
525.35291	2.0
526.36261	12.9
543.36737	17.0
544.37140	84.6
567.28809	2.4
652.38245	3.1
670.39648	2.4
688.40601	7.4
706.42719	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	705.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.1
55.01860	7.2
55.05507	22.9
57.03431	9.5
65.03925	6.6
67.05177	6.0
67.05507	84.5
69.03431	26.5
69.07053	15.3
71.04653	4.5
71.04995	47.2
71.59194	5.9
79.05494	82.2
81.03420	50.8
81.07057	100.0
81.69217	4.4
83.04973	19.6
83.08605	13.9
85.02889	7.3
91.05475	72.3
93.07040	67.0
95.04960	15.8
95.08606	36.5
97.02905	9.1
97.10164	6.2
99.04440	9.1
105.07020	40.7
107.04939	7.7
107.08586	34.9
109.02879	10.6
109.06493	8.4
109.10143	19.4
111.04441	5.2
111.08092	7.8
117.07021	18.7
119.08590	25.0
121.06459	5.7
121.10144	28.3
123.08042	6.4
123.11699	15.9
125.09604	9.1
127.03935	9.9
129.06946	6.7
131.08551	17.8
133.10146	43.5
135.11646	13.3
141.07010	5.9
145.10130	13.4
147.04375	5.9
147.08066	4.8
147.11679	13.5
149.13257	10.3
151.11140	14.3
159.11711	12.3
161.13319	7.4
167.08656	4.4
171.11644	8.6
173.04414	13.3
173.13228	7.1
183.11658	5.7
183.13852	9.6
187.13271	10.6
195.13768	9.1
202.37126	4.9
261.22116	6.5
339.18021	8.2
369.24435	5.9
443.27951	4.9
517.39258	6.5
543.36261	6.4
608.26031	8.8
705.46246	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.7
55.01859	9.3
55.05510	26.8
57.03428	6.5
57.07069	4.7
58.01143	1.8
59.04997	2.0
59.06114	3.5
60.12364	1.8
61.02922	2.0
65.03946	8.3
67.05504	92.2
69.03425	23.0
69.07067	21.5
69.91865	10.4
71.01351	1.7
71.04993	50.3
73.02908	2.0
75.84433	1.6
77.03933	2.1
79.05490	71.1
81.03414	41.9
81.07056	100.0
82.07396	2.0
83.04972	12.3
83.08629	9.5
85.02929	8.1
85.06530	6.4
86.09692	3.2
86.80849	1.6
87.04460	4.7
91.05477	66.2
93.07039	60.4
93.07626	3.0
95.01369	2.3
95.04965	21.9
95.08055	2.9
95.08607	34.6
97.02879	10.7
97.06523	9.1
97.10167	4.2
98.97477	1.6
99.04441	5.2
99.08104	2.1
99.16245	2.0
105.04511	2.3
105.07024	45.3
107.04918	4.0
107.08595	33.6
109.02863	9.6
109.06521	7.9
109.10187	14.2
111.04433	6.3
111.08072	5.3
115.05450	3.7
117.07020	15.8
119.08566	22.9
121.06491	2.7
121.10145	19.6
123.08068	1.8
123.11670	9.2
125.09653	2.6
127.03909	5.1
128.06242	3.2
129.06989	7.1
131.08578	21.4
133.06523	2.6
133.10139	24.9
135.08014	2.2
135.11684	10.1
141.06964	2.2
143.08569	7.5
145.06441	2.6
145.10129	11.8
147.08060	2.8
147.11665	7.8
149.09555	2.5
149.13232	9.3
151.11188	8.3
155.08557	3.1
157.10149	6.7
159.11674	14.0
161.09622	3.4
161.13258	2.7
163.11237	2.3
163.98601	2.0
169.10086	4.8
169.12204	2.2
171.11652	4.3
173.04466	8.1
173.09633	2.6
173.13263	4.4
175.11211	2.7
177.12764	5.7
183.11844	2.7
183.13823	4.3
184.07410	2.2
185.13278	5.0
187.13312	11.3
193.12073	1.9
195.13782	3.9
197.13249	1.8
199.11246	2.4
199.14871	3.2
211.11320	1.9
257.17465	3.1
261.22198	2.4
269.17621	3.6
295.20636	2.3
311.47958	1.8
339.18127	2.8
349.27493	2.1
351.22940	2.6
369.24210	4.9
387.25482	2.5
395.20670	2.9
461.28604	2.6
517.38611	4.3
593.45056	2.7
673.42657	3.7
687.42694	2.3
705.45593	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.1
55.01868	1.3
55.05509	2.0
61.12341	1.1
67.05493	4.4
69.03430	3.2
70.06570	1.9
71.04996	1.5
71.58356	1.6
79.05482	4.4
81.07055	5.4
90.56293	1.0
91.05484	4.3
93.07044	4.1
95.04961	4.0
95.08589	3.8
97.02887	100.0
97.06541	2.6
98.03210	1.4
99.04433	5.3
102.17410	1.1
105.07041	7.4
107.04954	4.7
107.08575	2.9
109.06522	4.6
109.10152	12.3
111.04440	4.9
117.06992	2.0
119.08588	4.1
121.06480	1.5
123.04418	2.6
125.05970	3.0
128.06218	1.4
129.06969	1.7
131.08548	3.0
133.06494	2.7
133.10124	4.6
135.08031	5.4
137.05957	1.6
137.09621	16.9
143.08562	6.7
145.06395	1.4
145.10129	2.0
147.08003	7.1
149.01213	1.2
151.07544	2.5
153.01851	1.3
155.08615	1.1
159.06464	1.9
159.08029	1.7
159.11662	1.6
161.05981	3.1
161.09608	34.9
163.11154	1.7
165.09105	27.1
165.10489	1.3
169.08644	1.7
173.09633	1.4
174.06677	1.0
177.05504	1.4
179.10632	2.1
187.11179	4.1
189.09067	8.1
197.09712	1.5
201.09074	1.6
205.08620	2.0
205.12248	6.2
207.10155	30.0
211.11142	1.9
215.02289	1.1
215.10654	2.4
225.11156	8.6
229.12196	2.5
231.13983	1.1
233.11716	4.8
239.10649	3.8
243.10269	2.0
257.11691	4.5
259.13251	1.7
261.11267	2.0
275.12708	11.6
279.12338	2.5
285.11169	3.9
293.13834	1.5
303.12247	7.8
321.13388	6.1
357.15417	8.5
359.87451	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.4
55.01856	4.6
55.05266	1.8
55.05509	21.3
57.03431	7.0
57.07058	1.9
60.35827	1.0
61.02700	1.0
61.02929	12.8
65.03937	1.3
67.05504	32.0
69.03426	10.5
69.07063	8.2
70.54998	4.0
70.89833	1.0
71.04975	2.8
73.02908	4.8
79.05074	1.5
79.05496	26.0
81.02975	2.0
81.03413	20.9
81.06577	1.9
81.07053	29.9
83.04974	7.0
83.08618	11.0
83.78746	1.3
85.02901	10.7
85.06530	2.7
88.46205	1.2
91.03955	5.1
91.05479	22.3
93.06480	1.6
93.07041	22.9
95.04967	10.5
95.08606	14.4
97.02892	11.2
97.06507	3.4
97.10157	9.7
99.04459	1.8
105.07025	21.2
107.04951	3.4
107.08604	16.8
109.02873	3.4
109.06511	5.0
109.10136	10.7
111.04383	1.7
111.08078	3.0
115.03933	1.2
115.05442	3.4
117.07016	11.8
119.08585	14.3
121.06494	4.6
121.10142	8.1
123.08066	3.5
123.11694	2.5
125.09615	7.2
127.03870	2.5
128.06174	2.2
129.06998	10.8
130.07834	1.3
131.08568	17.9
133.06477	1.8
133.10141	12.5
135.08029	5.0
135.11668	4.3
137.09647	2.3
141.06987	1.8
141.84447	1.1
142.07788	2.2
143.08536	8.8
145.06494	3.3
145.10135	14.6
147.08060	2.5
147.11659	7.5
149.09607	3.8
149.13240	3.2
151.11148	1.3
153.09120	1.7
155.08498	5.7
157.06514	1.5
157.10123	10.2
159.08067	4.7
159.11676	10.6
161.09616	2.4
161.13228	2.2
163.11174	3.5
165.06905	1.3
167.08583	2.6
169.10118	9.5
171.08002	2.0
171.10350	1.9
171.11681	8.8
173.04420	1.9
173.09651	3.3
173.11937	1.4
173.13226	6.8
175.11205	1.5
175.14819	1.8
181.10104	3.7
183.11693	7.0
185.09596	2.7
185.13281	5.5
187.11191	3.5
187.13292	1.7
187.14844	3.7
189.11259	2.5
193.12227	3.6
195.11700	3.6
197.13281	3.3
199.14844	2.3
201.12770	2.1
203.14139	1.3
207.11700	2.0
209.13297	2.4
211.11322	1.5
211.13199	2.1
211.14995	1.6
213.12723	2.6
219.11694	1.3
221.13354	1.3
223.14806	2.8
227.12698	6.4
259.20587	2.7
267.15927	7.2
275.20074	3.2
283.20386	2.1
297.18451	1.4
297.21875	2.5
299.20483	1.5
299.23572	7.0
301.21622	1.9
311.19928	1.5
321.22144	1.3
333.24139	2.2
339.22977	2.1
357.24280	1.8
367.22379	1.5
385.23602	1.9
403.24646	1.4
415.30090	1.5
421.25629	4.4
433.30927	4.1
435.27423	3.8
441.26212	1.6
451.32144	7.7
459.27328	4.6
469.33051	4.4
477.28073	2.7
479.82101	1.5
487.34140	1.7
525.35773	21.4
541.35046	2.1
543.36780	100.0
544.36749	4.5
559.35547	1.5
567.36981	2.4
633.36847	1.9
651.38135	3.1
669.39429	3.0
687.40814	4.9
702.95258	1.6
705.42035	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	705.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.0
55.01863	5.0
55.05512	18.4
57.03447	7.9
57.07064	2.4
59.05025	1.2
61.02930	10.9
65.03939	2.6
67.05178	2.0
67.05505	28.8
69.03429	11.6
69.07071	8.7
69.93278	5.0
69.93696	2.5
71.01334	2.4
71.04991	6.1
71.08628	1.1
73.02928	6.5
77.03889	1.3
79.05068	1.8
79.05493	27.0
81.03418	30.1
81.07059	34.5
81.36060	1.0
83.04987	10.8
83.08619	12.2
85.02897	14.3
85.06522	2.9
91.03970	5.4
91.05484	32.0
93.06476	1.7
93.07046	26.5
95.04971	12.5
95.08611	19.0
97.02887	16.2
97.06514	4.1
97.10178	7.3
99.04439	4.0
101.02394	1.1
103.03848	1.5
103.05437	1.3
105.07031	26.3
106.50309	1.0
107.04948	5.7
107.08591	17.2
109.02881	4.2
109.06501	3.7
109.10148	10.7
111.04440	5.4
111.08076	5.6
112.07615	5.5
115.05434	2.1
116.06263	1.7
117.07021	11.1
119.08571	19.6
121.06508	3.5
121.10132	9.7
121.70071	1.2
123.08057	2.4
123.11703	3.3
125.09634	7.0
127.03904	3.8
128.06258	1.9
129.05482	1.4
129.06979	10.2
130.07806	1.2
131.08571	18.7
133.06465	3.3
133.10135	14.6
135.08067	3.0
135.11719	5.5
137.09688	2.8
141.06960	3.1
142.07800	2.3
143.08577	10.4
145.06441	2.5
145.10133	16.2
147.08058	3.5
147.11682	13.5
149.02333	1.7
149.05940	1.1
149.09641	3.2
149.13242	4.2
153.09100	1.5
153.12727	2.1
155.08597	5.4
157.06430	2.9
157.10104	14.3
159.08061	4.6
159.11699	10.1
161.09631	1.3
161.13228	7.2
163.11163	3.3
167.08578	1.9
169.10193	7.6
171.07965	2.7
171.11702	9.7
173.04451	3.1
173.09608	4.1
173.11847	1.4
173.13255	6.2
175.11156	3.9
175.14792	2.9
177.12813	1.7
181.10124	3.3
181.12202	2.4
183.11652	7.0
185.09628	2.0
185.13194	7.2
187.11159	3.1
187.14873	2.4
189.11209	2.7
191.10640	2.0
193.12186	9.0
195.11649	3.8
197.09589	1.4
197.13255	4.8
199.11165	1.7
199.14841	2.8
201.12747	3.0
209.13310	2.6
211.11259	2.3
211.13264	9.9
211.14931	1.6
213.12712	1.7
215.14409	1.5
221.13339	1.5
223.14839	2.0
227.12659	6.7
229.14427	1.6
241.19528	5.9
243.15872	1.2
257.19000	1.3
259.20596	8.9
267.15952	2.9
271.20645	1.9
275.20010	2.9
277.21866	1.3
283.15332	1.3
283.20618	2.4
285.16949	3.9
297.21857	2.1
299.23676	4.6
301.21646	2.5
313.21487	1.8
315.23010	1.3
325.21542	1.6
329.24841	1.3
333.24246	6.8
335.25906	3.4
341.24805	1.3
355.17319	1.3
357.23999	2.2
367.22672	1.8
372.06100	1.2
385.23651	1.6
403.24655	1.3
433.31055	5.2
435.27618	1.4
451.31989	6.6
457.72379	1.5
459.27249	2.7
469.32831	3.0
475.31186	1.6
487.34052	1.6
507.34601	1.4
515.37305	1.7
525.28625	1.4
525.35797	18.6
543.36798	100.0
544.36981	3.9
585.37671	2.1
609.37225	1.4
651.38635	3.0
669.39319	4.7
687.41040	7.1
705.41803	12.1
729.08801	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4018
Annotation	Voacamidine
Peak:m/z	Relative Intensity
54.59933	0.8
55.05525	1.0
63.77062	0.7
67.05508	3.5
67.45216	0.6
68.40079	0.6
69.03441	0.9
69.07083	1.0
69.28387	2.5
69.28802	5.5
79.05500	2.0
81.03415	1.6
81.07068	3.4
83.08662	0.8
85.02933	1.0
86.09715	2.5
91.05499	2.9
93.07069	2.1
95.04980	0.9
95.08626	1.5
98.20639	0.8
105.07048	1.7
107.08613	1.2
109.10164	0.9
110.46124	0.6
116.78259	0.7
117.04872	0.6
117.07021	1.0
119.08543	0.9
121.10161	0.7
125.00027	2.0
130.57458	0.8
131.08606	0.9
133.10187	1.1
184.07324	8.7
252.24477	0.7
282.28455	0.8
403.46957	0.8
465.35815	0.8
543.35052	17.6
543.69171	0.8
564.09149	0.7
701.47968	0.9
705.40314	100.0
706.40765	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	705.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	18.6
57.03428	10.7
67.05505	46.3
69.07069	17.9
71.50360	7.5
79.05495	41.9
81.03400	6.7
81.07053	50.2
83.08627	8.2
87.92586	5.7
91.05486	35.3
93.07054	43.7
95.04930	5.8
95.08588	36.6
97.06522	6.7
98.98477	36.4
99.08045	5.0
105.07011	39.9
107.08585	24.1
109.06543	5.4
109.10159	14.9
117.07011	19.8
119.08584	27.0
121.10144	9.4
129.06999	22.5
131.08540	29.2
133.10144	17.8
138.31815	5.3
139.11182	4.9
141.06999	8.5
142.07675	7.8
143.08559	21.5
145.10117	26.3
147.11682	16.4
149.13347	5.7
154.07709	5.6
155.00952	5.5
155.08557	21.6
157.10097	20.0
159.11702	18.2
161.13213	8.8
166.07800	5.8
167.08589	15.1
169.10089	21.1
171.11688	17.5
173.13290	6.4
179.08563	5.9
181.10118	15.6
183.11653	13.1
184.07294	6.4
185.13269	12.0
193.10062	7.5
195.11681	15.1
197.13268	12.3
199.14807	9.1
207.11740	17.1
209.13306	12.3
211.14789	9.2
213.16333	9.2
221.13252	8.0
223.14847	6.8
235.14818	10.9
251.17967	6.2
259.20453	6.2
275.20126	9.1
451.32391	5.3
497.36819	6.3
515.38959	11.1
533.39539	14.0
549.39178	6.0
589.42273	23.6
607.43469	100.0
633.34930	7.2
687.40186	34.1
688.27576	6.3
705.41449	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.2
55.01874	4.2
55.05509	20.4
57.03434	6.0
61.02927	13.9
65.03934	1.4
67.05166	2.5
67.05502	28.6
69.03435	9.0
69.07065	7.5
71.01373	1.6
71.04987	4.2
73.02913	5.5
75.13915	1.2
79.05491	20.0
81.03419	15.5
81.07059	27.0
83.04983	6.9
83.08613	9.3
84.97662	1.3
85.02886	8.9
85.06510	1.5
91.03958	7.3
91.05476	20.3
93.07050	19.2
95.01402	1.4
95.04967	10.1
95.08601	14.6
97.02899	10.1
97.06506	4.3
97.10159	10.3
98.21533	2.2
99.04441	2.0
105.07033	17.2
107.04944	5.3
107.08604	13.5
109.02872	3.8
109.06522	2.8
109.10168	8.5
111.04450	3.6
111.08099	2.5
115.05460	2.6
117.07018	11.4
119.08582	14.4
121.06511	5.5
121.10136	7.3
123.08033	1.9
123.11708	3.2
125.09648	7.5
127.03914	4.1
128.06235	1.6
129.07005	8.3
131.08560	18.1
133.06476	1.5
133.10123	9.3
135.08047	3.9
135.11676	3.7
136.43867	1.3
137.09634	2.5
141.06976	3.9
142.07779	3.1
143.08600	10.1
145.04984	1.5
145.06445	3.6
145.10133	12.3
147.08116	2.3
147.11694	6.7
149.09633	1.9
149.13252	2.1
155.08589	4.2
157.10121	8.5
159.08052	2.9
159.11667	11.7
159.15051	1.5
161.09616	3.2
161.13206	3.3
163.11237	2.2
167.08595	2.5
169.10133	7.8
171.08118	1.3
171.11668	8.6
173.09560	1.8
173.11815	2.2
173.13263	6.8
175.14844	1.7
177.12714	1.5
181.10155	3.2
183.11723	5.3
185.13245	6.1
187.11172	2.7
187.14896	3.5
189.11253	3.6
191.10735	1.6
193.12177	1.4
195.11710	4.5
196.49371	1.2
197.13257	3.9
199.14883	3.5
203.14333	2.2
207.11575	1.6
209.13277	5.4
211.13231	2.7
211.15013	1.9
213.12886	1.6
227.12753	5.7
259.20599	4.4
261.22162	2.4
275.20087	3.0
283.20520	2.4
297.22159	2.7
299.23584	7.1
301.21454	2.8
315.23093	1.5
325.21667	1.3
329.21021	2.4
333.15115	1.9
343.23303	1.5
403.24847	2.5
415.29877	2.1
421.25677	4.4
433.30914	6.0
435.27469	3.4
451.32193	9.0
469.33188	4.4
489.64389	1.7
525.35858	19.6
543.36816	100.0
544.37390	3.0
571.24615	1.9
585.36481	2.0
609.37451	1.8
651.39081	2.3
661.02753	1.6
669.39740	2.0
687.41083	6.4
705.30603	9.8
705.43170	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	705.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
55.05505	1.3
67.05496	1.0
69.03392	1.1
70.87904	2.0
70.88254	1.1
79.05488	1.7
81.07048	2.1
83.08644	1.1
86.09695	1.6
91.05472	1.8
94.06564	7.0
100.11247	2.3
105.03379	1.1
106.06553	2.9
108.08114	3.3
120.08065	1.5
122.06024	23.1
134.06044	2.7
136.07568	34.5
140.07031	2.8
141.51579	1.0
146.05984	9.6
148.07565	14.8
150.09117	4.5
152.07071	3.3
153.01810	2.4
154.12239	1.3
158.05995	1.1
160.07567	0.9
162.09203	1.0
164.07059	48.0
166.08632	17.1
166.09946	1.6
167.07140	1.1
172.03929	2.2
174.05539	2.0
174.09132	1.8
176.07057	14.2
182.15439	2.6
190.05023	5.2
192.06445	0.9
197.10725	1.1
209.10718	1.9
210.11473	3.2
210.14767	1.2
211.12247	5.3
218.08142	2.7
221.10732	2.6
223.12332	4.5
224.13037	3.1
225.10249	2.7
225.13931	2.8
226.07104	3.6
227.11852	1.6
234.11305	1.2
235.12288	4.2
236.13110	1.7
237.10069	8.2
237.13803	1.9
238.10968	13.3
239.11794	20.5
240.12378	1.2
249.10234	2.7
250.11041	3.4
251.11784	12.6
252.12540	3.7
253.13361	9.5
255.11403	1.5
263.09381	1.5
263.11819	5.7
264.08914	1.7
264.12723	1.0
265.09753	2.6
265.13303	19.4
266.10651	2.1
266.13992	1.5
267.11319	3.7
267.14725	1.0
269.12701	2.6
271.14389	8.7
275.11813	1.7
277.09760	1.7
277.13440	3.0
278.10544	4.6
279.11261	100.0
280.11951	8.3
281.12970	2.4
283.10809	2.6
283.14429	4.5
284.11829	1.0
285.12143	1.0
287.13828	3.2
289.15479	3.3
291.11295	2.9
293.12830	7.9
294.13724	1.1
295.10861	2.7
295.14316	1.0
296.11725	4.1
297.12317	46.6
298.12888	7.6
299.13852	1.4
309.12311	16.1
310.13107	8.5
311.13864	44.5
312.14584	6.4
313.15417	32.1
314.16019	1.6
319.10815	1.3
321.12320	11.4
324.10928	1.8
325.11862	4.3
337.11783	26.8
338.12573	11.4
339.13385	64.3
340.13895	3.1
347.12357	1.4
357.14523	5.5
373.13892	9.4
375.15298	2.2
392.19528	1.2
399.11813	2.9
400.16434	2.9
400.92844	1.1
402.18115	1.1
417.12796	2.1
419.18286	1.0
434.20734	3.1
442.17593	3.3
452.21912	1.8
460.18671	48.9
461.19403	4.8
478.19626	1.8
494.22845	3.0
507.60040	1.1
520.20422	2.8
524.20471	3.4
536.20007	1.4
538.21820	45.9
539.21930	2.9
550.17999	1.1
551.19275	1.1
552.19800	2.4
564.19763	25.5
565.20093	4.0
566.21472	6.0
601.26556	4.9
643.27209	1.5
661.28571	3.2
669.24884	2.1
687.26587	34.6
688.26306	1.9
705.52655	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	704.515
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79936	0.8
55.05505	3.0
57.07073	25.1
60.81088	0.8
67.05488	2.0
69.07076	1.6
69.61375	6.8
70.23264	1.1
71.08627	25.1
73.06555	11.6
80.82664	0.8
81.03410	1.3
81.07058	2.2
83.08615	4.1
85.10179	22.0
87.04466	11.4
89.06027	100.0
91.05447	1.9
91.07626	1.0
93.07047	1.0
95.08591	1.9
97.10210	1.0
99.11710	3.6
105.07034	1.5
107.07053	6.8
117.09131	8.0
119.08570	1.2
119.12973	0.8
121.10192	0.9
130.08638	3.9
131.07030	3.0
133.08598	45.2
141.16383	4.4
160.88663	0.9
161.11713	2.5
175.09676	1.6
177.11208	16.3
184.07327	1.7
185.18994	5.1
221.13785	3.0
229.21617	7.2
239.15034	0.9
273.24255	3.8
283.17422	1.2
387.59000	0.9
416.96884	1.0
426.09637	1.0
687.48785	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.399
Annotation	Voacamidine
Peak:m/z	Relative Intensity
52.26291	0.4
52.67545	0.5
53.03940	3.1
55.01852	1.2
55.05512	5.5
57.03413	1.5
57.07063	0.7
58.62494	0.5
61.02910	0.8
65.03939	1.2
67.05504	18.6
69.03424	5.0
69.07059	2.9
71.04604	0.5
71.04995	11.5
79.05489	13.5
81.03416	13.4
81.06583	1.1
81.07056	19.3
83.04976	3.4
83.08620	2.6
85.02892	1.6
85.06524	1.6
89.73417	0.5
90.67313	0.5
91.05476	14.4
93.06474	0.9
93.07040	15.3
95.04958	3.2
95.08611	9.0
97.02888	4.1
97.06532	2.5
97.10150	1.5
98.21426	1.1
99.04445	1.6
105.06381	0.7
105.07029	7.9
106.07371	0.5
107.04953	0.9
107.08595	7.6
109.02869	2.4
109.06509	1.1
109.10158	2.9
111.04420	1.4
111.08070	1.0
117.06998	3.6
119.08578	4.1
121.10146	6.5
121.31705	0.5
122.63869	0.5
123.08082	0.5
123.11743	2.7
126.41502	0.5
127.03907	2.3
129.05444	0.7
129.06992	1.8
131.08549	4.7
133.10135	6.2
135.08066	0.7
135.11708	3.7
141.06999	0.7
143.08539	1.3
145.06497	0.5
145.10114	2.7
147.11682	3.5
149.09587	1.0
149.13248	3.6
151.11201	1.9
153.12740	0.7
155.08484	1.2
157.10098	1.5
159.11702	3.8
161.13219	1.3
165.12585	0.5
167.08635	0.7
171.11653	1.7
173.04472	3.2
173.09589	0.5
173.13251	1.5
175.11209	1.4
177.12711	1.3
182.11060	0.5
183.13809	1.7
185.04108	0.7
185.13193	0.8
187.13322	3.6
187.14801	0.8
193.12184	1.4
195.13786	1.3
199.14888	0.8
201.14886	1.2
211.13222	1.4
227.12830	0.8
229.73051	0.5
257.17413	0.8
259.07837	0.9
259.20572	1.5
261.22229	1.9
269.17242	0.8
276.82498	0.5
317.24832	0.7
326.63602	0.6
333.24445	0.6
335.25882	1.1
339.17947	1.4
347.09500	0.8
349.27325	1.2
369.24237	0.8
393.24002	0.6
395.20212	0.7
427.23346	0.8
514.67200	0.5
517.38892	2.1
525.35742	1.6
543.35266	23.7
555.35199	0.5
673.42792	1.3
687.40918	0.8
705.40045	100.0
706.40161	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	704.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.4
53.03947	3.8
55.01862	2.4
55.05515	9.7
57.03430	4.9
57.07080	2.1
67.05506	42.6
69.03419	3.3
69.07064	9.7
71.04996	13.2
71.58811	1.8
79.05491	33.3
81.03410	12.6
81.07054	50.7
83.04983	8.1
83.08620	7.1
85.02894	1.5
85.06541	4.8
87.08205	1.3
88.79295	1.1
89.78593	1.2
91.05486	34.2
92.05812	1.6
93.07045	31.1
95.04968	13.2
95.08608	18.3
97.02902	3.8
97.06513	4.5
97.10178	2.8
99.04470	1.2
105.07030	19.9
107.04961	4.0
107.08593	13.7
109.06532	5.7
109.10124	6.5
111.08070	4.1
115.05445	1.4
117.06978	7.7
119.08588	12.0
121.06513	2.5
121.10130	6.9
123.08043	3.3
123.11697	5.5
128.06242	1.5
129.07024	5.9
131.08582	5.4
133.10126	12.4
133.48759	1.2
135.08049	2.2
135.11694	2.9
141.97302	1.2
143.08574	4.3
145.10132	5.4
147.08022	1.6
147.11661	15.4
148.12007	1.3
149.09552	1.3
149.13274	3.7
151.11171	3.8
155.08498	1.5
157.10159	1.4
159.11693	4.8
161.09724	2.0
161.13264	4.9
165.12917	1.5
171.11705	8.2
177.12758	2.5
178.34555	1.3
179.14256	1.2
182.15524	1.4
184.07278	1.4
187.13295	2.1
189.12750	3.0
195.13789	1.7
207.13831	12.0
216.15208	1.5
258.57449	1.2
269.17511	4.5
275.20099	2.5
275.45477	1.3
276.16983	1.3
281.17471	16.0
291.19641	2.4
301.16913	1.4
301.20020	6.9
318.07260	1.2
445.24298	1.6
449.29083	31.1
463.30652	6.6
475.30560	100.0
476.30731	6.1
507.33270	17.4
542.35590	4.8
704.41565	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	703.44
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78381	6.2
53.03938	12.1
55.05497	25.1
57.03422	25.0
67.05502	100.0
68.74920	6.8
69.03414	28.8
69.07056	32.2
71.04996	9.3
79.05492	73.8
81.03412	49.9
81.07048	93.9
83.04496	7.3
83.04982	19.1
85.02870	14.8
85.06497	8.1
91.05479	73.7
93.07040	81.8
95.04944	19.6
95.08618	63.5
97.02861	12.8
99.04404	9.5
105.07002	56.4
107.04944	12.0
107.08581	33.2
109.02847	6.7
109.06510	9.4
109.10143	24.6
113.00004	26.2
117.07012	23.4
119.08577	32.7
121.10128	18.8
127.03859	8.1
129.06981	27.8
131.08549	25.4
133.10118	27.7
135.11681	14.4
143.08542	19.7
145.06432	8.9
145.10118	23.2
147.11661	27.0
159.11656	13.2
161.13200	8.8
167.08528	15.2
169.10072	16.4
171.11696	28.0
179.14462	8.8
183.11636	9.8
184.07343	8.4
185.13171	8.3
189.12712	11.9
197.13306	9.9
207.11945	8.4
207.13841	20.7
223.14919	10.6
227.20161	6.9
281.17572	25.8
282.87906	8.3
287.16632	9.2
335.25790	70.2
519.77448	8.8
541.39008	47.1
561.46881	8.0
591.43494	37.0
669.67023	8.7
703.44348	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	14.1
55.01875	17.5
55.05509	32.1
57.03442	9.4
57.07077	4.1
59.05011	1.8
61.02920	4.0
62.40468	1.8
62.55146	1.7
65.03938	6.3
67.05504	67.1
67.16266	1.6
69.03428	22.9
69.06721	3.4
69.07069	41.4
69.07627	1.8
70.06576	4.5
71.04990	11.9
73.02930	2.5
79.05494	60.9
81.03416	89.0
81.07054	76.9
83.04975	22.5
83.08606	20.5
85.02910	19.8
85.06546	3.2
88.07641	3.1
91.05479	84.1
93.07040	48.9
95.01317	10.4
95.04964	28.6
95.08607	37.3
97.02888	18.9
97.06519	31.1
97.10176	7.4
99.04456	5.5
99.08104	3.0
102.09179	2.4
103.05455	3.9
105.04505	2.0
105.07032	92.1
107.04961	26.2
107.08600	31.4
109.02884	13.3
109.06524	9.1
109.10161	17.0
111.04433	15.1
111.08090	10.5
115.05472	4.7
116.06236	1.8
116.83508	1.7
117.07020	23.3
119.04925	3.2
119.08577	50.1
121.06500	8.1
121.10149	16.3
123.04410	3.5
123.08065	6.4
123.11736	2.6
125.09648	4.1
127.03914	8.0
128.06213	4.1
129.05441	2.5
129.06995	15.3
130.07791	2.6
131.08560	40.3
133.06508	4.9
133.10129	50.2
135.08078	5.5
135.11687	12.2
137.09668	3.8
139.03938	1.9
139.07483	2.2
141.07034	3.8
142.07799	2.6
143.08574	7.8
145.06535	4.5
145.10121	25.7
147.08072	4.8
147.11688	30.7
149.02362	8.2
149.09622	13.2
149.13243	4.2
151.96371	1.7
153.12694	3.1
154.07887	1.6
155.08614	6.8
157.06473	2.0
157.10109	15.7
159.08072	4.0
159.11668	17.2
161.09656	2.5
161.13290	6.1
163.11111	10.2
163.14876	2.3
165.09087	2.1
165.12764	5.9
167.08443	2.3
168.09325	2.4
169.10150	7.1
171.08078	1.9
171.11737	8.5
173.04535	1.8
173.09689	2.3
173.13269	4.9
175.11191	8.3
177.12794	5.0
179.08551	3.0
179.14296	19.3
181.10242	3.7
181.12289	2.9
183.11678	6.0
185.13306	2.9
187.11220	4.9
189.11320	2.1
189.12886	2.4
191.10641	3.5
193.04999	2.3
193.10327	3.1
193.12251	22.1
194.05183	2.2
195.11719	2.2
197.13284	3.5
205.12195	2.9
211.11287	3.3
211.13231	28.4
211.14906	2.8
227.12686	4.3
229.19592	4.0
229.57260	2.6
239.17967	2.6
247.20564	3.1
254.62704	1.9
256.26465	4.1
257.19025	9.5
257.26843	3.2
267.16089	4.0
273.18600	4.0
275.20056	100.0
291.19540	2.4
293.21213	4.6
337.16489	1.8
349.23773	9.4
355.17679	9.0
411.20279	7.6
523.34045	2.8
527.37488	4.7
541.35291	20.8
559.36438	7.6
614.33856	1.9
649.36713	2.4
667.38477	2.3
685.39813	5.9
703.40198	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	13.2
55.05510	52.8
57.03427	20.1
57.07067	11.1
59.89445	8.5
67.05507	100.0
69.03415	28.2
69.07056	26.2
71.04992	10.1
79.05493	96.4
81.03413	58.6
81.07058	94.2
83.04985	21.0
83.08623	16.0
85.02899	30.3
89.06016	11.6
91.05479	78.6
93.07042	83.0
95.04972	25.5
95.08605	66.5
97.02868	10.1
97.06537	11.0
102.40316	7.1
105.07044	56.1
107.04983	21.8
107.08606	44.0
109.06519	14.0
109.10159	24.9
111.04440	10.4
117.07023	29.9
119.08608	39.4
121.06520	9.5
121.10144	19.4
123.08038	10.8
127.04001	7.7
129.07022	25.1
131.08572	24.7
133.06480	8.5
133.10149	25.4
135.11676	9.0
141.07010	9.6
143.08575	23.9
145.10127	19.4
147.11661	18.3
155.08516	9.7
157.09962	8.2
159.11642	10.1
161.13298	8.2
169.10162	8.7
171.11655	21.3
173.04425	8.1
185.13155	10.0
207.13779	12.3
235.01614	8.0
252.40674	8.2
261.22189	9.5
281.17563	12.8
287.16476	18.8
335.25775	63.1
438.22711	8.3
541.38647	31.9
605.42108	9.6
703.45941	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	703.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	15.1
55.01874	15.1
55.05513	38.7
57.03454	14.1
61.02928	5.6
63.64190	2.9
67.05501	79.3
69.03432	26.7
69.07066	17.1
71.04976	11.7
71.20393	3.8
71.20719	4.9
73.02913	5.8
79.05489	69.6
81.03419	100.0
81.07051	82.9
83.04990	26.6
83.08617	28.8
85.02907	24.1
85.06538	3.6
91.05476	80.7
93.07044	60.4
95.04958	47.3
95.08601	37.4
97.02884	21.5
97.06518	9.1
97.10180	15.0
99.04444	8.5
101.02397	3.7
103.05438	5.4
105.07028	58.1
107.04965	20.1
107.08579	34.7
109.02873	19.3
109.06521	17.1
109.10130	18.0
111.04433	11.5
111.08104	9.0
115.05428	5.1
117.07003	27.2
119.08573	45.9
121.06491	16.4
121.10139	21.3
123.04398	5.6
123.08038	8.1
123.11697	7.8
125.09619	13.4
127.03893	12.1
129.05493	5.4
129.06989	26.0
131.04927	5.1
131.08554	33.2
133.06483	7.6
133.10152	30.5
135.08022	11.9
135.11678	11.6
137.05963	6.0
137.09602	8.8
141.07004	6.8
142.07788	5.6
143.08566	14.9
145.06485	12.7
145.10121	26.0
147.04391	4.7
147.08067	6.9
147.11685	24.8
149.09662	8.4
149.13232	7.8
153.09015	3.1
155.08537	15.8
157.06509	5.4
157.10121	23.3
159.08061	9.1
159.11679	18.0
161.06020	4.1
161.09573	6.9
161.13239	6.1
163.11165	14.4
165.12773	4.9
167.08525	6.4
169.10139	12.0
171.08031	3.6
171.11717	16.5
173.04474	21.3
173.05765	4.0
173.09583	8.1
173.11887	4.5
173.13264	9.3
175.11203	11.9
175.14861	4.2
177.12718	2.8
181.10083	3.7
181.12186	4.2
183.08080	3.8
183.11636	10.1
185.09674	5.4
185.13321	8.6
187.11119	4.9
189.11201	7.1
191.10724	6.4
193.12181	24.8
195.11755	6.4
197.09564	4.5
197.13170	3.4
211.11549	3.6
211.13164	17.1
213.12865	3.1
227.12794	8.2
233.49971	3.3
243.13745	3.2
257.15411	3.7
257.19009	11.1
259.13300	3.2
267.15878	19.3
273.14941	3.7
275.20105	29.9
291.16455	3.0
292.83868	3.4
301.14215	9.6
313.21567	5.6
349.24026	7.6
355.17441	3.4
383.22052	3.1
449.30103	7.1
467.31406	3.9
523.33972	8.5
541.35248	56.4
559.36621	4.2
583.36206	6.3
605.33179	4.4
648.97705	3.3
667.38068	6.8
685.39502	18.8
703.40448	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.8
55.01863	13.1
55.05512	48.8
57.03437	15.9
57.07068	2.9
61.02911	9.1
62.55450	2.8
65.03912	4.6
67.05181	5.5
67.05506	75.8
69.03429	32.2
69.07079	22.0
71.04986	12.0
73.02909	9.3
79.05491	69.1
80.05818	3.2
81.03414	100.0
81.07054	84.9
83.04977	21.5
83.08606	25.4
85.02915	21.1
85.06535	6.3
91.03947	4.2
91.05486	70.5
93.07043	53.0
95.04964	46.9
95.08601	31.6
97.02885	27.8
97.06531	16.4
97.10167	14.6
99.04436	7.8
103.03972	3.1
103.05494	4.5
105.07032	62.7
107.04944	19.5
107.08595	40.5
109.02872	16.9
109.06523	15.6
109.10165	22.2
110.15678	2.8
110.72701	2.9
111.04434	13.4
111.08094	10.3
115.05502	7.4
117.07034	23.1
119.08575	41.9
121.06504	16.7
121.10151	28.8
123.04440	14.3
123.08077	5.7
123.11646	4.1
125.09618	10.2
127.03915	13.3
127.07517	3.3
128.06258	8.1
129.05457	5.0
129.07013	22.8
131.04930	6.1
131.08545	37.9
133.06482	10.5
133.10144	28.0
135.08069	9.1
135.11694	13.5
137.05994	3.8
137.09572	5.4
141.07031	6.9
142.07774	6.6
143.08557	19.7
145.06461	13.1
145.10133	27.7
147.04417	3.5
147.08057	9.4
147.11690	25.6
149.06049	4.1
149.09615	18.2
149.13283	4.2
151.11153	3.6
153.12726	4.2
155.08562	14.1
157.06479	5.7
157.10117	18.2
159.08066	9.2
159.11626	16.5
159.77794	3.0
161.09627	8.4
161.13277	4.0
163.11179	13.6
165.06967	3.9
165.12679	4.5
167.07104	5.5
167.08571	8.3
169.10112	10.5
171.04337	3.2
171.08008	6.2
171.11647	16.9
173.04440	13.1
173.09622	5.9
173.13197	10.4
175.07645	4.1
175.11195	13.9
179.08572	3.6
181.06412	4.7
181.10092	7.3
183.11650	9.3
185.09601	5.6
185.13287	7.6
187.11217	4.4
189.11211	5.9
189.12820	3.6
191.10658	5.4
193.08549	3.5
193.10680	3.6
193.12216	22.9
195.11588	5.3
197.13222	6.5
199.11108	7.2
199.14780	4.4
201.12717	5.3
205.12267	5.6
209.13310	6.3
211.11470	3.5
211.13242	17.0
213.12840	3.8
223.13008	3.8
223.14934	4.1
225.12642	4.0
227.12660	8.2
229.34146	3.8
235.13245	5.2
239.18040	3.9
245.15544	3.5
257.18967	10.4
259.13309	3.6
267.15887	17.9
273.14859	8.4
273.18240	3.7
275.20096	44.5
285.16766	3.1
297.21948	3.8
299.20206	3.8
301.14240	9.6
313.21539	4.5
331.22891	5.2
337.16284	3.9
349.23807	6.9
383.22284	3.4
411.20334	4.3
449.30341	9.9
467.31445	6.2
523.34412	8.2
541.35291	68.6
559.36194	5.4
583.35516	4.4
667.37750	7.9
685.39307	16.3
703.40558	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	702.5356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	3.5
57.07075	50.3
67.05495	1.9
69.07066	7.7
71.08631	45.1
73.06563	8.5
76.91328	1.2
81.07053	1.7
83.08616	3.4
84.04916	1.0
85.10182	30.0
87.04478	11.5
89.06030	100.0
95.08581	1.0
97.10168	2.4
99.11742	6.5
103.95714	1.0
107.07067	4.5
111.11724	4.1
113.13278	4.7
116.05268	1.4
117.09119	6.1
125.13265	2.4
126.70396	1.0
127.14850	2.9
127.87823	1.0
130.08632	3.7
131.07053	2.6
133.08604	61.0
136.08005	1.0
175.09669	1.5
177.11224	26.5
184.07346	4.4
193.74307	1.2
206.60757	1.0
215.15234	1.0
221.13818	4.4
227.20114	1.1
227.23676	2.2
239.14867	1.6
243.67206	1.1
271.26465	2.9
283.17395	2.4
303.04944	9.7
309.19263	1.4
315.29001	4.1
383.06543	1.1
447.35052	1.0
503.30759	2.5
604.45367	1.4
685.50635	2.8
698.10065	1.1
702.46393	3.4
703.47308	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	703.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51201	2.9
53.03939	4.8
55.01865	5.5
55.05513	21.3
57.03435	23.5
57.07081	3.8
65.03932	4.2
67.05505	52.1
67.09953	2.6
69.03447	3.1
69.07077	16.6
70.62498	2.7
70.71607	7.6
71.05000	3.4
73.95214	2.6
79.05489	50.8
81.03403	4.0
81.07049	46.8
83.04987	4.9
83.08601	12.4
84.26067	2.4
85.06534	6.9
91.04905	3.1
91.05477	57.6
93.07040	42.2
95.04957	10.1
95.08605	41.1
97.06542	4.8
98.98470	38.4
99.08089	10.8
105.07032	47.1
107.04926	3.5
107.08598	23.9
109.06509	11.4
109.10155	12.4
111.08066	5.9
113.09619	3.0
115.05446	6.6
117.07008	33.2
119.08581	36.5
121.10126	11.9
123.08067	6.6
123.11697	2.9
128.06189	7.8
129.07019	27.3
130.07790	3.1
131.08574	39.6
133.10112	18.8
135.08075	6.0
135.11678	10.1
141.06998	13.8
142.07776	5.7
143.08568	28.3
145.10117	36.8
147.08112	3.0
147.11700	16.5
149.02423	3.9
149.09624	6.4
149.13246	4.2
155.01022	7.9
155.08540	19.9
157.10115	23.0
159.07959	2.6
159.11703	30.8
161.09634	5.1
161.13251	7.0
163.11246	5.7
165.06996	6.6
166.07845	4.3
167.08549	14.9
168.09308	4.1
169.10121	35.5
171.11662	20.7
173.02054	5.4
173.09674	4.7
173.13274	18.2
175.11163	3.7
175.14793	2.8
178.07722	3.3
179.07169	3.3
179.08528	12.8
180.09331	5.9
181.10081	19.8
182.10812	3.4
183.11653	23.7
185.13240	18.6
187.11078	3.7
187.14832	3.8
189.12752	4.4
191.08519	5.1
193.10086	13.5
194.11031	2.6
195.11711	19.9
197.09608	3.2
197.13263	15.6
199.14804	8.4
201.12738	4.7
205.10146	8.6
206.10945	4.2
207.11690	13.5
209.13226	16.0
211.11208	3.2
211.14836	9.7
213.16315	4.9
215.17999	5.7
217.10162	4.7
219.11707	10.2
219.17380	7.8
221.13258	15.4
223.14781	9.3
225.12860	3.7
225.16356	4.6
229.19521	6.1
231.11690	3.7
232.12450	3.9
233.13235	11.0
235.14836	11.8
237.16415	11.2
239.14288	2.9
239.18018	16.3
241.19331	3.4
243.11557	3.5
245.13191	4.7
247.14789	8.2
249.16330	6.1
251.14253	3.4
251.17830	3.6
255.17461	6.5
257.18964	28.9
261.16418	6.2
263.17929	4.0
275.20114	8.6
277.19519	4.0
283.20572	3.3
295.20749	5.0
307.20633	3.5
309.22012	2.7
313.21628	11.4
321.22128	3.1
331.22690	5.8
337.21667	3.3
345.25876	2.9
349.23785	10.9
441.31662	3.5
459.32687	4.7
477.34067	4.6
513.36987	15.2
519.34521	3.7
531.38489	20.6
533.36304	11.5
549.39264	8.7
587.41028	18.8
605.41992	100.0
623.43329	6.8
629.35291	3.6
631.33539	8.8
667.36945	2.7
685.38617	21.8
703.39648	46.9
704.39038	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	700.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12122	1.7
51.51848	1.6
52.85728	1.7
55.05507	9.2
57.03429	3.1
57.06819	2.3
57.07076	24.9
58.88901	1.7
60.02481	1.5
60.78205	1.6
61.02932	13.8
67.05505	13.8
69.07069	15.3
69.75928	3.2
69.76335	11.4
71.08636	23.8
73.02914	4.1
79.05466	2.9
81.07051	22.7
83.08622	15.6
85.02905	16.8
85.10169	11.8
86.30623	1.9
91.03944	15.1
94.16557	1.7
95.08615	31.8
97.02898	4.9
97.10173	16.1
98.20780	3.5
109.10146	14.2
111.11695	6.9
123.11716	8.7
127.03924	4.7
137.13246	2.8
145.04935	5.0
163.06007	9.0
178.50339	1.8
202.72505	1.9
204.90263	1.9
211.33501	1.9
249.25783	5.4
267.26776	6.3
271.91989	1.8
274.92758	2.2
277.79556	2.1
285.27832	3.1
302.79819	1.9
341.30493	100.0
359.31577	25.5
700.45361	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	700.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66885	3.8
55.05516	9.7
57.07080	28.9
57.56186	4.5
61.02916	13.0
67.05500	33.5
69.07065	9.4
69.40751	27.3
69.41170	9.4
71.08640	24.2
73.02911	5.5
79.05501	6.8
81.07058	29.6
83.08622	9.6
85.02912	13.0
85.10204	19.2
91.03963	12.4
91.05469	7.0
93.07041	5.4
95.08599	30.6
97.02861	4.6
97.10162	8.6
105.07013	4.4
109.10160	33.7
119.08610	5.2
123.22072	4.3
145.04953	7.8
163.05995	10.9
173.11763	4.6
184.07408	6.2
229.14394	24.6
267.26758	27.0
335.25851	18.1
341.30515	100.0
359.31393	18.7
444.75079	4.1
489.35461	9.6
671.90759	5.2
700.45227	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	701.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52206	3.1
51.02382	3.9
53.03947	16.1
55.01870	11.7
55.05514	47.4
57.03440	24.6
57.07090	3.6
61.02921	23.0
65.03936	4.6
67.05506	97.9
69.03428	48.4
69.07071	28.8
69.84520	20.2
70.06612	3.4
71.04987	15.4
73.02912	9.8
73.21871	3.0
79.05490	88.0
81.03418	93.3
81.06583	5.7
81.07057	92.0
81.68610	3.3
83.04994	25.5
83.08620	17.0
85.02908	25.5
85.06528	6.0
91.03952	7.9
91.05479	89.6
93.07043	78.7
93.07622	3.8
95.01331	3.7
95.04979	25.1
95.08607	50.8
97.02891	31.9
97.06528	10.0
97.10170	6.8
99.04451	11.8
99.08083	4.6
101.02403	6.9
103.03939	3.7
103.05472	6.6
105.07026	76.0
107.04962	12.9
107.08589	38.4
109.02882	11.4
109.06515	10.0
109.10143	27.6
111.04452	6.0
115.03949	3.4
115.05444	8.0
117.07018	32.3
119.08585	48.9
121.06511	7.0
121.10154	18.2
123.08101	8.0
123.11741	5.1
127.03928	16.2
128.06238	10.4
129.05495	6.3
129.06999	37.0
131.08557	48.4
133.06506	5.9
133.10130	27.4
135.08023	5.9
135.11690	11.9
137.09625	7.3
141.07007	14.2
142.07750	7.3
143.08562	36.1
145.06465	8.6
145.10135	38.7
147.08055	4.3
147.11693	23.2
149.02336	4.4
149.09644	7.7
153.07024	7.0
154.07742	4.2
155.08545	29.0
156.09302	4.0
157.10141	30.3
159.08034	7.3
159.11713	22.9
161.09630	6.5
161.13271	11.7
163.11192	3.9
165.06975	7.0
166.07747	4.2
167.08568	21.3
169.10130	37.2
171.08078	7.1
171.11708	30.1
173.04456	24.5
173.09610	4.9
173.13283	13.5
175.14731	7.1
177.12659	3.7
179.08565	10.7
181.10098	18.2
182.17763	3.2
183.11652	24.2
185.09512	4.0
185.13277	16.4
187.11244	8.0
187.14830	5.0
189.12782	4.7
191.08650	6.0
193.10126	12.8
195.11722	17.5
197.13304	15.7
199.05931	4.5
199.14842	6.5
201.12892	3.6
207.11685	10.4
207.13750	8.3
209.13272	17.9
211.14825	11.2
213.12708	4.8
219.11714	7.3
221.13257	8.5
223.14825	13.8
225.16434	5.5
227.14392	4.0
227.17882	3.3
233.13159	5.3
235.14909	5.7
237.12796	4.1
237.16336	4.7
241.19662	4.9
249.16309	5.0
251.55766	3.5
259.20642	11.0
279.15961	6.6
281.17563	11.5
307.20517	3.8
313.21738	4.1
323.23715	7.1
326.42114	3.8
333.24213	7.9
339.22919	5.3
349.21585	7.3
367.22589	5.4
387.26410	4.2
429.31818	6.8
447.32614	20.0
465.33588	12.3
521.36133	10.6
529.39191	4.1
539.29388	5.4
539.37433	100.0
541.38440	5.0
557.38342	11.4
647.39209	10.9
665.39923	5.5
683.40668	11.0
701.42572	72.4
702.39392	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	699.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42415	0.6
55.05510	1.2
57.07083	1.0
67.05502	4.1
69.07076	1.3
69.53517	5.8
71.08650	0.8
72.14392	0.7
79.05504	2.0
81.07063	2.9
89.94284	0.6
91.05489	3.0
93.07072	2.2
95.04999	0.7
95.08617	2.0
97.10157	0.9
98.21425	0.8
100.51377	0.6
104.54295	0.6
105.07038	1.5
107.08613	1.0
109.10172	1.0
119.08628	1.2
121.10197	0.6
129.07028	0.8
131.08620	0.9
131.93103	0.8
133.10138	0.7
208.99989	0.7
212.50444	0.7
247.13124	1.3
253.79639	0.7
328.00424	0.8
333.20349	10.3
361.60907	0.7
389.23032	6.9
437.13058	0.6
449.57745	0.7
468.37891	2.2
558.41095	1.6
613.37292	3.1
699.44324	100.0
700.44092	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	699.4348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05460	1.3
56.96561	18.7
56.96812	1.1
66.42536	0.4
67.05479	0.4
70.65113	0.8
70.65517	0.8
71.95270	1.8
72.95994	1.0
74.97571	0.5
83.08583	1.0
84.95971	1.0
110.97544	0.9
123.01155	0.5
128.98534	1.4
129.80713	0.4
137.02730	0.5
141.02136	1.1
146.99582	1.6
155.03706	1.2
157.01651	0.4
159.03217	1.1
161.01233	0.5
165.00591	0.6
171.03242	1.2
173.04811	1.1
177.04324	0.6
181.05296	0.5
185.04773	0.9
187.06291	0.5
189.04276	1.3
189.07930	0.7
191.05885	0.9
195.06911	1.1
199.02567	0.4
199.06422	2.7
201.04349	0.5
201.07985	0.8
203.05923	2.0
203.09453	0.5
207.07002	0.9
207.08990	0.9
209.08478	0.7
211.06439	1.9
213.06065	0.6
213.07954	7.3
215.02344	0.4
215.05995	0.7
215.09563	0.7
217.07451	7.4
219.08983	1.2
221.08533	0.6
223.10043	1.0
225.04533	0.4
225.07938	3.2
225.11508	0.6
227.05835	0.7
229.07458	12.9
229.10919	0.5
231.06691	0.9
231.09019	17.4
232.09346	0.5
237.07895	1.3
239.09517	3.9
241.07440	0.5
241.11089	7.5
243.09045	5.3
245.10582	0.8
247.08495	14.1
249.09966	0.5
250.35019	0.4
251.09506	4.6
252.09004	0.8
253.11081	1.0
254.10574	0.8
255.08997	3.9
257.06842	0.6
257.10587	4.0
258.07739	0.5
259.12164	14.0
260.64941	0.4
261.10147	1.3
267.08920	0.6
269.10590	40.2
270.10352	0.7
271.12216	0.9
273.10083	3.0
276.08704	0.5
281.10281	0.6
287.11633	26.6
288.11990	0.6
292.12094	3.6
295.12341	0.5
309.17316	1.0
310.13232	1.1
313.65393	0.4
315.16217	1.0
321.17148	0.6
323.18744	0.8
333.17313	14.8
339.18384	0.8
351.18378	37.6
352.18771	0.8
356.18289	0.5
369.19452	94.5
370.19821	2.0
374.19983	3.4
387.20505	100.0
388.21021	2.2
392.21167	1.2
410.22104	16.1
410.27612	0.8
457.58929	0.4
553.94379	0.4
681.42523	1.0
699.43439	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	699.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02073	0.6
50.16375	0.7
55.01895	0.8
55.05503	1.6
57.03432	2.0
61.02923	4.2
67.05507	5.0
68.72076	0.8
69.03426	2.5
69.07063	1.1
70.78958	1.2
70.79295	1.0
71.01366	0.8
71.04993	2.0
73.02914	3.3
79.05511	5.8
80.51072	0.6
81.03419	3.8
81.07041	3.7
83.04958	1.8
83.08631	1.4
85.02914	5.2
91.03953	2.1
91.05489	3.2
92.22647	0.6
93.07043	4.4
95.04962	1.5
95.08620	0.9
97.02900	3.1
97.06565	1.1
99.04475	0.8
101.02379	1.5
105.07048	2.4
107.04900	0.9
107.08576	3.7
109.02908	1.0
109.06510	0.8
109.10143	1.7
117.07011	0.8
118.27364	0.6
119.08604	2.1
121.06509	0.9
121.10145	1.9
127.03962	1.8
131.08557	1.7
133.10120	1.4
135.11725	3.4
145.10146	0.9
147.11684	2.0
149.09657	1.6
157.10179	0.8
163.11249	1.0
193.12256	1.4
211.13332	0.7
225.14818	1.2
226.12535	0.8
243.08478	1.6
255.15982	1.1
283.15305	2.8
439.19470	7.8
501.23029	7.6
699.35596	100.0
700.36017	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	699.431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.7
55.01868	4.9
55.05514	30.6
57.03442	21.0
57.07077	57.2
67.05504	46.6
69.03421	11.9
69.07076	18.9
69.38546	6.6
69.38952	24.2
71.01352	9.0
71.04981	5.7
71.08628	42.4
79.05488	26.6
81.03415	92.7
81.07056	50.5
83.04969	16.3
83.08621	37.6
83.65063	3.1
85.02908	33.6
85.06528	3.7
85.10176	25.3
86.49192	3.6
91.05482	31.8
93.07038	18.5
95.01326	8.0
95.04961	33.2
95.08601	38.6
97.02888	17.2
97.06521	6.2
97.10168	11.8
98.20707	5.0
105.07036	20.5
107.04945	10.7
107.08585	11.1
109.06522	6.1
109.10156	16.8
111.04424	6.8
111.08085	10.9
113.02345	4.8
115.05503	3.3
117.07022	3.8
119.08588	22.5
121.06534	4.3
121.10146	14.2
123.11704	9.8
125.02342	9.2
129.07030	15.0
131.08585	16.2
133.06514	6.2
133.10133	11.9
135.11748	4.7
137.09697	3.3
137.13191	3.7
141.01833	25.4
142.07784	5.3
147.08006	5.6
147.11664	31.5
149.09608	4.5
150.11224	3.0
157.10110	21.3
163.11246	3.5
165.12759	4.0
175.11180	21.7
181.12215	8.8
191.10674	5.8
193.12242	71.6
209.08229	2.9
211.13315	80.0
227.12808	11.2
235.13248	3.3
239.23674	11.2
249.14935	6.8
267.15887	64.6
285.16934	16.3
295.88889	3.1
309.10635	2.8
313.27350	85.5
315.12305	3.8
319.42789	3.0
341.16122	5.1
414.05362	3.0
443.19348	17.2
505.38907	38.5
523.39960	100.0
524.40277	3.8
551.14716	3.7
569.11487	3.1
681.42505	4.9
692.25531	3.8
699.42523	18.0
729.47345	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	699.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
62.76374	0.2
69.43653	0.6
69.43991	2.7
71.77254	0.3
74.68264	0.3
75.90323	0.3
127.27120	0.3
133.10106	0.3
162.69615	0.3
183.64088	0.3
185.04245	0.4
190.79396	0.3
200.93262	0.3
259.08026	0.4
301.20187	1.0
319.21240	0.4
347.09454	1.0
358.05441	0.3
360.66379	0.4
413.42154	0.3
459.59543	0.3
537.30347	16.6
538.30731	0.8
626.54114	0.4
699.35583	100.0
700.35815	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	698.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
53.22169	1.5
55.05513	30.0
57.03432	6.5
57.06819	2.3
57.07075	19.7
61.02925	33.2
63.09279	1.5
67.05503	37.8
69.03438	4.1
69.07066	53.1
69.89746	4.0
69.90159	7.4
71.04994	4.0
71.08617	11.0
73.02910	10.2
75.04030	1.7
75.04465	3.5
79.05488	14.3
81.03416	4.0
81.07057	49.8
81.07530	3.6
83.08617	38.7
85.02906	34.5
85.06551	3.0
85.10181	6.3
91.03955	30.6
91.05478	3.6
93.07057	21.5
95.04984	2.7
95.08606	52.4
97.02904	13.4
97.06541	7.6
97.10168	27.7
99.04482	2.2
105.06995	1.8
107.08595	17.0
109.10155	28.7
111.08093	6.8
111.11715	7.9
115.03876	2.2
121.10142	39.0
123.11687	7.9
125.09635	2.6
125.13296	2.2
127.03898	11.9
131.07149	1.8
131.26521	1.6
135.11693	29.2
137.13264	4.0
139.11185	2.2
145.04955	12.5
149.13255	14.9
151.14824	5.8
163.06030	20.4
163.14818	5.7
165.16388	4.7
171.13858	1.8
177.16354	2.9
191.17917	4.1
193.08601	2.5
211.09698	4.6
247.24191	35.0
262.25226	2.5
265.25266	100.0
279.85471	1.7
283.26340	19.7
339.28937	94.8
357.29990	47.6
357.33490	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.4
55.05511	26.2
57.03424	6.4
57.07074	14.2
58.47616	2.3
61.02927	25.0
62.96275	1.9
64.08413	2.0
67.05505	33.3
69.03410	2.6
69.07068	50.8
69.98886	11.2
71.08629	6.9
73.02899	10.7
79.05495	10.7
81.07057	49.4
83.04942	2.0
83.08617	40.1
85.02908	30.6
85.10180	4.7
91.03954	26.0
91.05441	3.2
93.07059	16.3
95.08609	56.3
97.02896	16.6
97.06521	7.7
97.10168	27.6
99.08109	2.6
107.08594	15.1
109.02848	2.3
109.10153	29.5
111.08051	4.0
111.11687	10.1
117.59724	2.1
119.50004	2.2
121.10151	33.7
123.11726	10.1
125.09626	4.6
125.13289	2.8
127.03921	8.0
128.07565	2.0
135.11702	32.4
137.13303	4.7
145.04970	16.2
149.13257	16.1
151.14848	4.3
153.12804	2.6
163.06021	25.1
163.14825	7.9
165.16446	5.5
177.16386	5.9
191.17940	3.5
195.17442	3.3
247.24222	35.5
262.25220	4.8
265.25281	100.0
283.26343	16.4
319.88647	2.5
339.28952	89.5
340.29431	4.1
357.30002	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.3
55.05512	5.4
67.05500	7.8
69.03408	6.1
69.07068	44.8
69.87212	4.8
69.87627	14.8
71.04980	4.2
79.05486	19.2
81.03413	4.5
81.07057	16.2
83.04978	25.3
85.02895	8.0
91.05481	18.5
93.07035	23.1
94.40742	3.1
95.01263	2.7
95.04967	9.2
95.08611	4.7
97.02881	6.8
97.06527	84.0
97.64902	2.9
99.04441	29.0
105.07027	38.7
107.04934	10.3
107.08563	16.8
109.06490	12.5
115.07567	4.2
115.16373	2.6
117.06980	13.7
118.16129	2.5
119.04892	4.2
119.08566	8.9
121.06510	39.6
121.10149	5.4
125.05986	75.1
126.31551	2.6
127.03831	3.0
128.06198	3.0
129.07004	3.0
130.07809	3.9
131.08566	19.2
133.06476	10.4
133.10103	6.9
135.08028	4.1
135.11711	4.6
137.05943	13.3
141.01796	3.7
143.07028	77.4
143.08563	9.3
145.06468	10.7
145.10115	100.0
147.08046	2.9
147.11667	5.5
151.07605	4.2
154.07762	5.2
155.08548	4.9
157.10175	3.0
158.07254	13.4
159.08066	9.8
159.11700	35.8
162.24861	3.0
163.07558	3.9
163.11185	46.5
169.10074	13.3
171.08035	4.0
172.08859	3.1
173.09630	99.6
175.07504	4.7
187.11191	72.6
188.11565	3.3
189.08786	3.5
189.12782	3.7
191.10622	21.2
197.09615	9.2
205.12234	82.1
209.11823	3.6
215.10657	81.1
233.11710	98.1
251.12799	54.8
269.13797	10.5
287.05545	5.9
288.05789	7.6
307.15414	5.8
325.16461	14.2
343.17545	15.6
427.16092	7.3
450.10995	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	698.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	2.9
55.05514	27.9
57.03428	9.2
57.07064	13.4
59.97718	2.9
61.02927	31.4
61.46509	3.1
67.05499	35.8
69.03416	4.0
69.07067	62.1
71.04993	4.8
71.08621	10.0
73.02908	12.9
75.04449	5.0
79.05499	20.0
81.03410	5.2
81.07052	47.3
83.04990	3.5
83.08617	43.9
85.02910	36.3
85.06557	5.8
85.10183	6.0
91.03954	29.5
91.05451	4.8
93.07040	24.2
95.08603	59.1
97.02883	17.8
97.06547	8.3
97.10176	29.8
98.21532	7.7
99.04446	4.2
107.08608	17.0
109.10146	38.4
111.11719	9.0
121.10128	39.3
123.11705	9.4
127.03931	9.1
135.11658	29.6
137.13260	3.9
141.08340	3.0
145.04939	14.7
149.13260	13.6
151.14844	6.0
162.56656	3.4
163.05995	27.2
163.14738	7.5
174.26968	3.2
187.43213	3.1
247.24260	39.8
262.25272	4.2
265.25259	100.0
283.26318	19.9
339.28928	94.0
357.29956	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.9
55.05520	5.1
67.05501	3.9
69.03426	8.5
69.07067	36.8
70.05662	12.5
70.06559	3.4
71.04996	8.1
73.06577	3.1
77.54234	2.7
79.05495	17.1
81.07059	10.8
83.04986	23.4
85.02902	8.0
91.05477	19.9
93.07041	18.4
95.04979	8.1
95.08629	3.0
97.02908	4.2
97.06532	62.1
99.04458	37.9
103.03992	2.8
103.05463	2.5
105.07029	38.5
107.04964	7.8
107.08586	19.9
109.06541	8.8
115.07552	2.4
116.23119	2.8
117.07026	9.0
119.04964	11.6
119.08572	6.6
121.06507	30.3
121.10159	3.5
125.05988	43.6
127.03874	2.9
128.06186	3.0
129.07005	7.5
130.07837	3.6
131.08585	16.9
133.06502	8.6
133.10132	8.4
135.04362	3.5
135.08029	3.4
135.11696	6.1
137.05983	8.8
139.07564	3.0
143.07027	55.8
143.08595	7.9
144.09319	6.7
145.06467	6.8
145.10118	92.1
147.08006	2.9
147.11708	5.3
149.06044	3.2
151.07597	2.4
153.01820	2.9
154.41650	2.4
155.08542	5.2
158.07329	13.7
159.08060	13.9
159.11687	40.0
161.09703	3.0
163.07516	3.8
163.11177	49.7
169.10172	10.0
171.11772	2.9
172.08839	5.5
173.09619	69.7
177.12801	4.0
187.11191	63.7
189.12782	3.2
191.10638	15.6
197.09616	7.6
205.12234	70.5
215.10657	63.1
223.13322	2.8
233.11716	100.0
248.09299	2.4
251.12785	65.8
269.13782	27.0
269.16412	2.9
274.47321	2.3
287.05490	13.5
288.05740	2.9
307.15393	8.0
325.16507	18.3
343.17361	11.7
427.15778	8.8
501.19778	2.9
541.23621	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	697.3767
Annotation	Hexamollamide
Peak:m/z	Relative Intensity
53.03933	0.9
55.05504	1.4
57.03430	1.5
57.45257	0.8
57.74169	0.8
61.02941	4.5
63.34791	0.8
67.05508	7.1
69.03421	2.9
69.07064	1.0
71.04993	2.7
71.58970	1.2
73.02917	3.2
79.05489	3.6
79.64164	0.8
81.03406	2.2
81.07068	9.5
83.04981	1.5
83.08620	2.3
85.02904	5.0
85.06540	1.0
91.03947	2.7
91.05468	4.4
93.07048	5.4
95.04974	1.1
95.08611	2.1
97.02881	4.0
97.06545	1.0
101.02400	0.9
105.07044	2.2
105.09540	0.7
107.08604	3.5
109.02913	1.6
109.10160	1.9
111.08083	0.9
119.08593	2.1
121.10137	1.4
127.03931	2.1
131.08557	2.0
133.10158	3.0
139.03807	0.9
149.13254	2.1
151.11188	1.1
159.11682	1.4
191.03709	0.8
235.13110	1.6
243.08513	2.2
413.18103	2.2
419.17361	1.0
453.20987	9.7
485.23917	6.9
499.21429	0.9
545.90863	0.9
567.31927	1.8
625.31885	14.8
626.32050	1.8
697.37677	100.0
698.38098	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	697.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.2
57.03424	2.1
61.02915	3.5
67.05508	4.7
69.03426	2.2
69.07064	1.5
69.44783	11.8
73.02931	2.1
78.80257	1.1
79.05493	2.3
81.03436	7.0
81.07049	3.6
83.08631	1.8
85.02893	6.3
91.03945	1.7
91.05474	4.5
93.07066	1.9
95.04977	3.3
95.08600	1.8
97.02917	3.5
97.06515	1.3
99.04430	1.4
101.02357	1.8
105.07036	3.1
107.08646	1.8
109.10138	1.5
111.08118	1.2
119.04910	1.5
119.08598	2.2
121.10112	1.6
127.03942	2.3
129.06953	1.6
133.10181	2.7
135.11684	1.8
137.06036	2.0
139.03883	1.6
147.11658	3.0
149.09583	1.9
157.10069	1.4
158.48744	1.2
167.07019	1.5
193.12222	2.0
211.13245	1.3
243.08421	2.3
267.08786	1.3
269.12402	4.8
272.54193	1.2
284.07059	1.4
285.16711	1.3
299.09241	4.5
313.29901	1.3
315.08316	1.8
331.11966	1.3
333.97794	1.4
444.62460	1.6
469.20505	11.8
583.25513	1.5
697.33905	100.0
698.34442	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	697.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05582	1.6
57.03502	1.7
61.03011	5.8
65.25744	0.8
67.05217	1.3
67.05602	10.8
69.03530	3.1
69.07127	1.7
69.93770	4.1
71.05077	0.8
73.03024	4.0
79.05604	3.4
80.31025	0.6
81.03545	2.3
81.07176	4.9
81.68305	0.6
83.05025	0.9
83.08704	1.6
85.03024	5.7
91.04083	2.7
91.05084	1.2
91.05624	2.6
91.34426	0.8
93.07179	3.5
95.05080	1.9
95.08694	1.6
97.03025	6.1
99.04559	1.5
101.02510	1.1
105.07158	1.8
107.08731	1.9
109.02977	1.1
109.10310	9.1
113.33782	0.7
117.07130	0.8
118.11984	0.8
119.08665	1.5
121.10278	1.4
123.04420	1.0
127.04072	2.0
128.04155	0.7
129.05618	0.8
131.08728	1.5
133.10231	1.1
135.10756	0.7
145.10333	0.6
149.32184	0.7
170.17148	0.7
173.11967	2.8
181.04890	1.2
185.04437	2.2
193.12366	0.9
195.10071	1.3
201.03854	1.6
203.05408	1.3
229.14406	1.4
243.08673	3.1
251.12909	1.1
301.08957	5.2
315.10751	2.7
369.15375	1.3
371.17041	2.9
373.11264	2.1
381.15561	0.9
385.18649	3.2
389.26727	1.0
413.17844	21.4
413.23047	1.2
419.17725	0.8
425.21469	4.3
429.17651	1.1
441.21347	1.3
443.19174	1.4
453.20898	5.0
463.27158	1.7
469.20886	1.2
483.22021	1.0
484.23175	1.3
485.19940	7.0
497.23935	0.9
499.21899	2.4
516.21765	1.1
541.26324	4.6
553.29895	2.9
564.14478	0.8
567.31476	23.0
568.31921	1.4
596.31909	5.7
597.32373	1.1
623.34235	1.0
625.31946	100.0
626.32056	2.3
628.30914	5.3
651.33582	10.3
653.34875	2.3
669.35083	1.1
697.33954	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88761	0.3
53.03954	0.6
55.01871	0.7
55.05499	1.4
57.03438	2.2
61.02924	4.5
67.05498	2.0
69.03436	2.8
69.07055	0.7
69.72834	2.5
71.05002	0.7
73.02911	2.8
74.32615	0.4
79.05494	2.9
81.03417	6.8
81.07047	2.7
83.04992	1.2
83.08624	1.6
85.02906	6.3
91.03959	1.9
91.05476	3.5
93.07016	2.0
95.04967	2.1
95.08620	1.3
97.02895	3.8
97.10200	0.5
99.04484	1.0
101.02360	1.8
105.07033	2.1
107.04951	0.9
107.08598	0.9
109.02902	0.6
109.06544	0.4
109.10181	0.5
111.04477	0.5
111.08113	0.8
113.06011	0.4
117.07046	0.4
119.08590	2.4
120.51560	0.5
121.10157	0.7
123.08140	0.5
127.03977	1.1
129.07008	1.0
131.08583	1.5
133.10126	1.8
137.06053	0.6
147.08037	0.4
147.11668	1.8
149.09605	1.2
157.10133	1.9
163.11261	0.4
175.11198	1.8
182.71222	0.4
185.04126	0.4
188.77043	0.5
193.12238	3.6
211.13287	1.7
243.08397	1.9
251.12578	3.6
285.17169	0.4
299.09314	1.0
307.15244	0.8
469.20407	15.3
510.25943	0.4
535.29010	0.7
697.33978	100.0
698.33990	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	696.5403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.05505	4.7
56.05051	3.6
57.07075	2.2
60.04520	2.3
60.96839	0.8
67.05505	8.0
69.03431	1.6
69.07061	6.2
69.81124	0.7
70.06591	0.8
70.09237	3.1
71.08633	1.8
78.49373	0.8
79.05491	7.0
80.05012	2.7
81.05788	2.1
81.07060	7.6
82.06584	5.0
83.08620	3.3
85.02905	3.6
85.10181	1.2
91.05473	7.5
93.07040	7.0
94.06565	14.4
95.04996	1.1
95.07355	5.6
95.08616	4.6
96.08128	4.9
97.02869	1.1
97.10155	2.1
105.07021	3.2
107.08600	3.5
108.08108	2.8
109.10142	1.9
111.11713	0.8
119.08576	4.8
120.88059	0.8
121.10155	5.0
122.09669	1.7
131.08662	0.7
133.10117	3.3
135.11685	2.4
136.11148	0.9
137.13211	0.8
158.40785	0.7
159.50745	0.9
173.52756	0.7
233.22679	2.9
245.22678	3.2
250.25273	5.1
254.24741	1.2
262.25284	100.0
263.25714	2.3
264.27020	1.1
272.25854	5.4
280.26376	5.0
312.13287	0.7
504.47531	2.6
516.47699	19.7
518.49121	7.3
534.48749	6.3
696.54010	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	697.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.01867	1.1
57.03439	0.8
61.02916	0.9
68.99790	0.9
69.03427	4.8
69.50443	1.2
71.04976	0.5
73.02912	0.9
81.03416	5.2
83.01346	0.2
85.02899	7.2
87.00829	3.2
87.04462	0.1
91.03915	0.2
93.25006	0.2
95.04912	0.2
97.02290	0.2
97.02889	2.7
99.04446	1.8
105.01862	1.8
107.04887	0.2
109.02876	4.1
111.00806	0.4
117.01837	0.5
121.02870	2.0
127.02959	0.3
127.03912	6.5
127.68609	0.1
129.01816	0.6
132.49556	0.2
133.02843	0.4
137.02293	0.7
145.04936	1.9
147.02866	0.5
147.04393	0.5
150.66273	0.2
153.01817	2.4
157.06520	0.3
159.02887	2.6
161.05963	0.2
165.01819	1.2
183.02885	0.7
185.05928	0.3
203.03223	0.1
212.39822	0.1
213.03847	0.2
213.05482	1.2
225.50970	0.2
229.04997	0.1
231.04710	0.7
231.06859	0.3
232.28050	0.1
233.08124	0.1
238.77684	0.2
241.04971	0.6
253.10701	0.2
258.05209	0.9
259.05991	0.3
287.05481	100.0
288.05795	1.6
329.06454	0.7
353.06494	0.2
355.13910	0.2
382.26291	0.1
395.07574	0.2
416.84131	0.2
449.10782	7.9
517.09888	0.2
633.45868	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	697.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
68.07475	1.7
70.84689	2.9
70.85038	1.2
81.07034	1.8
85.02907	2.2
91.05466	1.3
97.02900	1.3
122.06048	3.1
137.06009	1.7
140.07069	2.9
144.08061	1.5
147.04411	1.6
164.07043	1.7
167.03323	1.2
222.11540	5.6
233.10602	1.4
234.11337	1.6
235.08714	1.6
236.09410	2.1
236.13210	1.5
237.10210	3.5
238.10948	1.7
238.98767	1.3
247.08682	2.6
248.09454	6.8
249.10222	19.0
250.10947	7.7
251.11818	4.4
261.10208	5.8
262.11139	7.9
263.11795	86.5
264.12485	7.9
265.09805	3.3
265.13358	6.6
275.08298	1.8
277.09729	17.9
278.10446	1.8
279.11255	22.4
280.12061	3.0
281.12891	12.6
282.13635	8.7
287.05408	7.2
289.09711	3.3
290.10437	5.5
291.11258	35.7
292.11899	8.8
293.09302	1.8
293.12704	3.1
294.10065	2.0
295.10773	20.2
296.11328	2.7
303.07642	4.6
307.10840	10.4
308.11545	3.9
309.12347	51.7
310.12961	3.1
311.13654	1.9
318.09967	6.8
323.13879	53.2
324.14566	2.9
325.11737	3.0
325.21210	1.5
327.13550	1.9
335.10251	4.9
336.11011	51.7
337.11771	11.4
338.12686	2.4
339.13358	4.5
341.14935	11.1
345.14313	2.0
349.11810	2.0
351.13440	1.8
353.11227	2.7
355.13065	2.7
367.12906	42.7
368.13660	53.0
369.14462	37.7
370.15179	4.4
399.15445	9.9
476.18082	5.3
478.19922	5.4
489.18887	5.1
490.19550	2.4
493.18161	2.6
494.18909	2.8
508.20807	100.0
509.21124	2.4
510.22314	12.3
526.21838	7.5
540.23419	93.6
541.23596	3.4
597.23260	1.4
613.64178	1.5
615.24420	3.1
629.26233	3.3
633.25323	2.4
665.27716	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	696.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.2
55.05516	15.3
55.58540	3.3
57.03431	10.9
57.07063	12.6
61.02922	29.1
64.16992	2.8
67.05504	81.8
69.03419	5.9
69.07075	27.1
69.33201	32.8
70.64712	2.9
71.04980	4.4
71.08611	4.0
73.02910	10.5
73.32697	3.1
79.05492	26.2
81.03434	3.9
81.07054	97.4
83.04956	4.2
83.08620	23.0
85.02895	32.8
91.03954	26.2
91.05476	20.0
93.07048	26.3
95.04958	3.4
95.08605	74.3
97.02896	14.7
97.06544	5.5
97.10165	13.7
99.04440	4.0
99.08103	4.7
105.07049	15.7
107.08577	14.3
109.10152	42.6
111.08078	6.3
111.11715	6.0
113.09664	7.0
119.08576	15.3
121.10130	23.7
121.10874	4.0
123.11742	18.8
127.03912	8.7
127.11179	4.0
133.10110	18.3
135.11691	13.2
137.13266	10.9
141.43248	3.2
145.04979	12.0
147.11684	12.8
149.13231	17.7
151.14816	4.6
159.08028	3.4
161.13293	17.1
163.06010	17.9
163.14792	9.5
165.16406	11.1
175.14734	5.7
179.17888	8.7
189.16368	5.9
245.22644	59.2
248.47308	3.4
263.23694	100.0
263.26544	4.8
281.24893	3.0
337.27362	67.0
354.42938	3.1
355.28363	8.3
362.20325	2.9
499.31763	3.9
523.13910	3.6
680.02277	3.4
696.35736	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	695.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.0
57.03424	3.7
61.02919	4.4
65.35376	1.1
67.05508	7.5
69.03429	3.2
69.07060	2.3
70.06565	1.0
73.02929	1.7
79.05491	6.7
81.03059	1.0
81.03431	10.9
81.07062	6.8
82.07377	1.1
83.04982	2.5
83.08620	5.2
83.18354	0.9
85.02914	5.4
89.08435	1.0
91.03961	2.3
91.05472	5.9
93.07049	6.6
95.04964	3.9
95.08596	4.0
97.02891	4.3
97.06499	1.1
99.04433	1.5
101.02407	1.2
105.07057	3.8
107.04971	1.6
107.08607	3.3
109.10152	1.9
111.08087	1.1
117.06978	1.3
119.08585	3.0
121.06504	1.1
121.10139	2.3
125.00048	1.5
129.07024	2.2
131.08591	1.2
133.10123	1.0
135.11687	3.1
139.51328	0.9
145.10149	2.4
145.93887	0.9
146.86147	0.9
147.11685	1.9
149.09634	1.1
150.13643	1.1
150.73628	1.3
156.58591	1.2
157.10121	1.4
158.10530	1.1
163.11182	3.2
175.11212	1.6
180.41623	0.9
184.07338	1.1
193.12282	3.0
211.13335	1.3
216.30249	0.9
227.12750	2.7
229.28191	1.2
243.08487	2.5
249.10980	7.9
255.84846	1.0
258.15994	1.3
267.15915	4.1
268.16180	1.3
269.17517	3.2
270.17938	2.5
304.16913	1.2
305.13556	1.3
331.46716	1.0
421.68433	1.3
439.27249	1.9
440.27267	2.0
461.28659	1.7
462.29245	6.7
466.29141	1.2
467.18750	7.9
469.20499	10.6
533.32996	1.5
695.32288	100.0
696.32330	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	695.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
61.07159	0.9
70.99249	1.8
79.05483	0.9
79.43307	0.7
79.49221	0.7
87.96172	0.8
113.80583	0.7
142.10928	0.8
242.04030	0.7
424.84726	0.9
633.45599	1.4
695.43390	100.0
696.43585	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.2
55.05507	17.9
56.96546	2.7
57.03416	7.8
57.07063	10.8
61.02925	37.0
65.03941	4.3
65.95873	2.7
67.05505	87.4
69.03421	4.5
69.07069	22.0
70.63360	6.1
70.63759	6.4
71.08631	6.2
73.02906	10.5
79.05492	20.4
81.03423	4.1
81.06586	5.6
81.07057	94.6
83.08618	16.9
85.02905	35.6
85.06593	3.3
85.10136	3.2
91.03952	27.4
91.05481	18.1
93.07059	31.1
95.04927	4.0
95.08613	81.9
97.02906	22.0
97.06549	10.8
97.10169	9.8
99.04401	3.1
99.08076	4.1
105.07021	12.2
107.08595	18.5
109.10163	42.6
111.08054	5.2
111.11733	6.5
119.08560	14.8
121.10150	24.8
123.11716	20.4
127.03905	9.3
131.08611	3.0
133.10135	15.3
135.11685	10.4
137.13226	8.9
139.37091	3.2
141.12720	6.0
145.04932	15.4
147.11722	14.8
149.13249	11.5
151.14792	6.1
155.14247	5.7
161.13225	14.5
163.06036	23.4
163.14795	7.4
165.16380	12.6
175.14795	11.4
177.16498	3.3
179.17967	4.6
189.16397	7.0
207.36436	2.6
209.84264	2.9
227.05286	2.8
245.22672	66.5
263.23700	100.0
265.25220	4.8
304.81656	2.8
337.27393	49.0
355.28433	4.8
503.68597	3.1
523.01642	2.7
635.85254	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	695.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95788	0.5
52.50561	0.5
55.05505	0.8
56.01918	0.5
62.91832	0.7
71.11751	1.1
73.05146	0.5
74.04071	0.5
75.05499	0.6
77.66189	0.6
81.03440	0.6
83.08577	0.7
84.08105	0.7
85.02907	1.0
91.05435	0.6
97.02892	1.0
99.84438	0.7
100.11254	2.5
105.07052	0.6
108.04488	4.1
111.04449	0.9
111.44530	0.7
122.06002	1.2
122.42570	0.6
125.07147	0.7
136.07567	1.6
138.05501	1.5
140.07042	1.2
146.06021	1.6
147.04314	0.9
148.07603	1.4
150.05438	0.8
150.52855	0.6
153.01851	6.1
168.06540	4.2
174.05498	0.9
177.05424	0.7
199.08682	1.8
204.06528	0.9
206.06236	0.6
206.08205	2.1
211.08699	5.9
212.09357	1.6
213.10210	2.0
221.10765	1.1
222.09239	1.4
223.08636	1.2
223.12131	0.6
224.10764	1.7
225.10201	5.7
226.10976	1.1
227.08099	1.6
227.11763	0.8
228.08981	0.7
238.10898	0.8
239.08095	0.9
239.11743	7.5
240.08905	1.3
241.09738	2.5
241.13274	1.3
242.10483	1.6
249.10339	0.9
250.08649	0.9
251.08231	1.1
252.08786	1.5
253.09726	6.2
254.10381	1.2
259.14481	0.7
267.11282	13.0
268.12006	1.4
269.09412	0.9
269.12799	2.2
273.12466	0.9
281.09244	0.9
283.10828	1.2
285.07599	3.6
285.12335	1.8
287.05478	0.8
287.13916	0.9
295.10730	6.4
297.12408	1.0
305.02878	0.7
305.14761	1.1
313.11810	41.2
314.12250	1.8
323.10410	1.3
341.11307	15.5
342.11932	3.1
355.12805	2.0
359.12347	8.5
373.13937	100.0
374.14334	1.7
483.91202	0.6
536.42914	0.6
627.24689	1.1
645.25171	1.9
659.26697	1.2
677.27576	1.0
677.49408	1.7
695.50970	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	695.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96291	0.7
56.96563	9.5
61.31723	0.5
71.57751	0.5
71.58131	0.7
71.95255	1.4
97.99139	0.5
98.97581	16.3
98.98196	1.1
116.98615	25.8
116.99451	1.3
134.99654	35.3
136.70212	0.5
140.00188	1.3
153.00682	8.9
158.01262	3.8
176.02295	1.0
177.36971	0.5
178.02570	0.6
194.90683	0.5
225.97853	0.6
315.01831	1.5
322.01724	0.9
327.96054	0.6
330.03964	0.7
333.02570	1.1
340.02237	0.8
343.01309	1.0
343.05289	0.6
348.05161	1.5
355.04807	3.5
357.02774	2.0
358.03540	9.5
361.02475	1.0
373.05893	6.3
375.03882	1.4
376.04657	21.5
377.05023	1.0
382.03613	1.1
397.05933	100.0
398.06296	1.7
399.06107	1.2
400.04880	1.1
415.06995	38.0
438.08594	8.5
459.54318	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.7
55.01870	4.5
55.05511	35.6
55.39701	3.5
57.03437	41.4
57.07061	3.2
60.29222	3.3
65.03959	4.7
65.72474	2.9
65.88582	3.5
67.05170	6.6
67.05504	76.2
69.07070	28.7
69.25564	22.8
69.25986	20.1
71.04987	9.3
79.05495	85.6
81.07056	69.6
83.04953	5.7
83.08612	15.3
85.06538	9.3
91.05481	100.0
93.07044	77.9
95.04987	20.7
95.08611	68.0
97.06528	18.2
97.10147	6.9
98.21516	8.7
98.28975	3.8
99.08091	7.9
103.05455	4.1
104.68346	4.1
105.07028	86.1
107.04962	8.8
107.08598	40.8
109.06532	19.6
109.10168	19.9
111.08088	11.8
113.05988	9.0
115.05447	7.8
117.07027	57.2
119.08571	66.1
121.06472	6.0
121.10168	21.5
123.08064	6.3
125.09613	5.9
128.06229	11.9
129.07001	39.3
130.07753	5.3
131.08585	52.1
133.10123	34.6
135.08073	6.9
135.11674	15.3
141.07002	11.2
142.07729	11.0
143.08536	38.6
145.10104	51.2
147.07997	4.9
147.11705	20.6
149.09628	9.1
149.13274	6.6
155.08539	17.8
157.10118	30.3
159.11665	42.5
161.09665	6.7
161.13301	14.0
163.11205	7.5
165.06943	3.6
167.08492	8.7
169.10150	22.5
171.11745	22.2
173.13260	11.0
175.14804	6.4
177.12657	5.7
179.08612	7.1
181.10103	12.2
182.10765	3.4
183.11693	22.7
185.12061	3.5
185.13295	34.1
187.14844	5.6
193.10146	8.5
195.11684	13.5
197.13263	14.2
199.14787	4.0
201.16443	5.0
203.14337	13.4
207.11717	6.9
209.13316	10.6
211.14877	8.3
219.11748	3.9
219.17534	5.8
221.13181	6.0
223.14760	5.7
225.16278	4.8
227.12767	4.0
229.19553	4.3
235.14812	5.1
237.16449	6.3
239.17960	14.2
245.79713	3.7
255.17406	4.1
257.18948	18.5
259.20688	4.8
273.18527	7.3
275.20093	29.1
347.22034	3.9
349.23843	14.3
497.32196	5.3
551.37030	7.5
605.41644	6.6
623.42706	11.3
641.43762	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	695.0314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85915	2.1
55.93526	5.8
58.73790	1.7
68.99806	3.0
69.03437	2.9
71.19896	1.9
71.57788	3.9
72.93793	8.1
81.03433	3.0
85.02887	3.8
90.94843	6.0
108.95858	2.3
121.02877	5.5
126.53525	1.7
134.99689	2.2
139.03926	10.9
147.04446	3.0
149.02315	18.6
153.00597	2.3
153.01820	36.7
155.04939	3.0
163.03975	3.3
166.97997	2.5
170.97363	3.7
171.04469	2.2
173.06033	3.8
182.97467	2.7
184.99036	2.4
191.03458	4.3
192.95776	3.1
194.97452	3.6
195.02878	2.6
197.96123	3.5
201.05542	6.4
207.27803	2.3
210.96849	14.5
212.98439	7.0
215.97179	5.1
216.97850	3.1
216.99724	2.7
218.95564	2.4
219.02876	4.8
220.95381	5.5
222.96910	3.4
224.94803	11.7
226.96245	4.1
228.97945	30.0
229.05043	14.9
230.99596	2.4
234.96941	6.9
236.98555	2.6
238.96432	14.4
239.03423	3.4
240.98007	7.7
242.95659	12.8
243.71465	2.5
244.99252	2.5
247.06036	10.3
248.94814	2.8
248.98505	4.4
250.96391	5.0
252.97928	5.9
256.97421	7.0
257.04398	7.2
258.96970	5.8
260.96750	16.1
262.96436	3.6
264.98004	2.2
265.97565	2.4
266.95831	4.8
267.02872	2.1
268.97476	7.8
272.98459	8.3
274.04517	3.0
274.96521	2.7
275.05508	7.1
276.97934	7.2
277.98083	2.8
280.97433	4.6
282.96802	5.8
284.96735	12.4
285.03943	36.6
286.04288	2.9
286.96344	4.0
287.05518	3.5
288.97958	7.5
290.99539	3.2
292.97406	2.6
294.98932	3.0
300.97873	21.1
301.06866	5.1
301.98697	2.3
302.99417	3.1
303.04959	14.3
304.97546	6.8
310.96405	20.5
312.97861	3.6
314.95874	5.1
316.97433	12.2
317.98016	3.1
318.99048	20.9
322.98611	2.4
328.97388	30.1
329.97897	3.7
330.95328	3.8
330.99084	5.7
331.96115	10.2
332.96848	9.9
333.97586	3.6
334.98492	5.9
336.99658	4.4
338.95856	3.8
340.97479	4.2
342.95178	4.7
343.54169	2.3
344.96832	13.9
345.97437	4.7
346.98459	38.6
350.97849	3.5
356.96872	53.2
357.97427	5.5
358.98410	4.2
359.95386	3.3
360.96478	8.2
362.97772	3.0
364.99576	8.9
370.94891	5.4
372.96503	8.9
373.97119	4.9
374.97964	100.0
375.98260	5.6
378.97620	3.2
379.98648	3.1
384.96533	3.6
388.95987	3.2
392.98984	44.6
393.99426	2.4
397.99521	5.4
400.95755	5.0
411.00064	2.9
448.99603	2.7
480.98544	7.3
481.99377	2.7
483.00070	3.5
490.96991	2.8
494.40649	2.5
495.00110	7.2
497.01523	2.7
498.99686	6.0
501.00845	5.9
508.98123	24.7
509.98447	2.6
510.99423	2.3
522.99310	5.4
526.99091	64.0
527.99286	11.9
532.97906	7.7
541.00507	4.8
550.98993	12.8
554.98853	3.4
568.01685	4.2
569.00134	8.3
613.00433	3.9
617.00391	5.1
622.98560	10.7
631.01453	7.3
641.00061	40.1
649.02502	7.3
659.01160	80.6
660.00110	3.0
677.02216	41.5
695.03210	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	694.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	6.9
56.24843	2.7
57.03437	4.0
57.07084	4.0
61.02929	27.2
65.12214	2.9
67.05504	64.5
69.07076	13.1
69.43694	3.7
70.84693	9.4
71.04968	3.9
72.19270	3.5
73.02914	10.3
79.05495	36.7
81.07059	71.7
83.08606	8.3
85.02907	34.8
85.06560	3.5
90.95582	3.3
91.03947	26.2
91.05479	19.5
91.07188	3.0
92.50653	3.5
93.07047	58.3
95.04974	4.0
95.08607	52.1
97.02897	12.2
97.06509	4.5
100.97549	3.1
105.07036	17.0
107.08579	37.9
109.10164	33.7
117.07035	8.4
119.08594	12.1
121.10154	30.0
123.11687	16.1
127.03930	9.5
131.08572	19.1
133.10136	14.8
135.11713	28.4
137.13278	5.1
145.04964	12.9
145.10120	12.8
147.11700	11.4
149.13237	16.9
159.11674	12.8
161.13271	9.4
163.06018	20.3
163.14844	16.7
173.13222	15.9
177.16472	5.5
177.81999	3.1
187.14893	10.3
198.84207	3.0
201.16530	6.4
229.14310	3.4
243.21040	36.9
258.18491	5.7
260.80597	3.3
261.22150	100.0
279.23294	3.9
286.17776	4.7
290.63449	3.6
335.25833	16.0
353.26816	44.7
360.21738	4.3
481.47980	3.3
514.31866	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	694.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19670	26.1
51.47230	26.8
52.18695	30.1
56.40887	26.0
57.22762	27.8
60.77126	25.7
71.59346	43.0
84.50312	25.3
112.83221	33.8
151.84163	30.5
606.28070	39.0
621.26550	48.4
622.27271	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	6.7
67.05498	9.5
69.07076	4.5
69.44691	26.6
79.05491	6.5
81.07050	7.2
91.05474	5.5
93.07047	8.7
95.08578	6.7
98.98481	12.6
105.07030	4.2
107.08605	2.9
109.10233	3.5
117.07047	2.8
119.08569	5.1
120.12928	3.1
131.08635	7.1
143.08559	6.3
145.10104	7.6
159.11734	4.8
187.14787	2.6
194.36945	2.9
194.98309	3.3
539.44659	4.0
595.46875	21.6
613.48151	5.1
693.45129	100.0
721.64404	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	693.4563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	15.7
55.01855	8.8
55.05301	4.5
55.05511	48.4
57.03436	13.5
57.07063	12.6
67.05502	70.3
69.03432	27.8
69.07067	55.0
71.04985	8.7
71.08604	7.1
71.59229	6.9
79.05491	44.3
81.03412	100.0
81.07056	69.2
83.04961	21.2
83.08604	41.7
85.02887	21.9
85.06525	6.1
91.05467	43.1
93.07045	33.5
95.04969	31.1
95.08601	57.9
97.02892	29.3
97.06538	5.6
97.10146	17.0
97.21911	4.9
105.07006	32.3
107.04945	12.5
107.08601	23.3
109.02862	16.2
109.06458	6.6
109.10150	23.5
111.04430	12.8
111.08041	14.2
113.09651	4.7
117.06996	8.3
119.08538	20.3
121.06493	4.8
121.10129	20.4
123.11690	13.7
127.03917	8.5
129.06990	14.6
131.08548	10.3
133.10124	21.9
135.11652	14.6
142.07706	4.7
145.10129	9.6
147.11691	22.3
149.09616	5.5
157.10139	16.2
159.11743	6.6
163.11261	5.5
165.12814	6.3
175.11215	17.6
193.12221	39.0
195.15739	5.4
211.13283	57.0
227.12724	6.6
248.72836	4.7
265.25198	9.4
267.15906	14.8
285.17017	6.0
339.28909	21.2
355.17685	6.4
391.28516	6.5
411.19720	7.4
501.01685	5.5
521.38312	15.1
531.40240	10.3
549.41016	13.8
693.46185	68.0
723.92578	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	693.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
54.49571	0.7
55.01872	1.0
55.05505	3.3
57.03419	3.1
57.03695	0.8
59.50185	0.7
61.02920	3.2
67.05511	7.9
69.03436	3.3
69.07059	2.6
71.01351	1.3
71.04990	1.2
71.32774	1.6
73.02918	2.6
78.76952	0.7
79.05491	8.9
81.03418	6.1
81.07052	10.3
82.07388	1.5
83.04979	2.4
83.08611	3.0
85.02898	5.4
85.06536	0.8
86.09699	0.9
91.03963	2.7
91.05473	6.2
93.07044	6.6
95.04970	2.6
95.08604	4.0
97.02901	4.8
97.06545	1.4
101.02338	1.2
105.07042	6.7
107.04962	1.4
107.08607	2.9
109.06509	1.7
109.10164	1.9
111.08087	1.2
117.07026	1.5
119.08587	4.5
121.06508	1.2
121.10137	2.8
123.08042	0.7
123.11745	1.7
127.03896	1.0
129.07018	2.5
131.08572	2.2
133.10165	2.3
134.10555	0.7
135.08020	0.8
135.11731	1.3
143.08551	0.8
145.10158	0.8
147.08133	0.8
147.11716	4.9
148.12090	1.0
149.13315	1.3
157.10056	0.8
160.77505	0.8
162.56284	0.7
163.11226	0.9
165.12746	1.2
171.11792	1.4
184.07430	2.1
193.12294	1.7
207.14125	1.0
209.11726	0.7
218.18410	0.8
243.08537	1.9
267.15939	2.3
268.16321	2.3
269.12329	0.9
269.17432	1.5
270.17874	1.2
281.17676	0.7
285.09955	0.9
285.17105	2.4
286.17365	2.0
302.16562	0.8
351.25403	0.8
460.28036	1.9
465.20819	6.9
469.20370	5.3
477.28076	1.2
478.28937	3.8
495.29376	1.6
496.29926	5.8
533.78326	0.9
622.33118	1.1
693.34503	100.0
694.35144	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	692.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.3
55.01876	2.2
55.05263	1.9
55.05509	22.1
57.03436	13.1
57.07069	2.6
59.04972	2.3
61.02927	5.2
65.03931	3.5
67.05502	89.0
68.05820	1.2
69.03419	3.0
69.07063	19.0
69.61265	5.3
69.61678	3.7
71.05000	15.4
71.08626	1.4
73.02901	2.6
79.05491	33.7
81.03426	6.5
81.07054	100.0
83.04987	6.9
83.08620	15.0
85.02888	6.8
85.06538	8.6
87.04472	2.6
91.03939	1.8
91.05476	26.3
93.07039	44.0
95.04967	6.3
95.08604	18.4
97.02870	2.8
97.06530	11.2
97.10165	6.1
99.08083	2.2
102.37856	1.0
105.07021	9.8
107.08591	27.1
109.06512	3.1
109.10158	26.2
111.08056	7.2
111.11709	1.2
117.07017	7.5
119.08567	5.6
121.06475	1.8
121.10137	16.7
123.11694	11.1
125.09603	7.1
127.03900	1.2
129.05452	1.2
129.06958	1.6
131.08572	8.8
133.10124	18.4
135.08031	2.4
135.11690	9.4
137.09645	1.6
139.11165	1.1
145.10104	1.3
147.11705	2.7
149.13252	21.7
151.11128	3.9
159.11690	10.6
163.11134	2.9
165.12648	1.3
173.11697	6.3
177.12764	6.4
183.13841	1.7
187.13394	2.6
191.10626	1.6
193.12231	1.7
195.13817	10.3
197.99373	1.1
199.13321	2.2
209.11853	1.6
213.14832	2.2
227.12776	2.1
229.14313	20.9
267.15775	1.6
269.17468	37.3
301.16470	4.6
301.20038	5.2
312.74283	1.2
348.50345	1.2
411.27386	1.2
423.27338	13.7
437.28940	40.9
438.29337	1.3
451.30414	5.0
463.30521	92.1
464.30637	3.0
495.34039	24.1
496.33215	1.5
513.30853	5.1
535.09821	1.2
583.14984	1.4
661.35608	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.2
55.01867	3.6
55.05512	16.9
57.03441	15.8
61.02916	3.8
66.52972	2.0
67.05511	25.6
68.54372	1.9
69.03418	6.4
69.07066	8.1
70.98505	5.0
71.04979	5.1
72.48453	2.1
79.05492	34.7
81.03419	86.6
81.07057	35.0
83.04986	20.9
83.08614	34.4
85.02908	38.0
91.04961	3.7
91.05482	39.0
93.07056	16.2
95.04967	32.9
95.08601	11.8
97.02877	5.2
97.06535	4.3
97.10160	9.5
99.08137	2.2
104.53149	2.2
105.07039	27.1
107.04937	9.4
107.08582	7.3
109.06541	5.7
109.10172	3.2
111.04449	5.2
111.08083	10.3
113.05981	3.6
117.06966	2.1
119.08598	25.9
121.06451	2.8
121.10123	9.5
123.08068	4.6
129.07005	14.4
131.08582	15.1
133.06543	3.0
133.10121	16.4
142.07805	4.1
147.08061	5.1
147.11685	19.5
149.09644	10.4
157.10143	19.1
165.12715	3.2
175.11197	21.3
180.25632	2.4
193.12245	61.5
211.13300	100.0
212.13718	2.0
267.15891	43.2
285.16968	87.4
367.22321	2.7
385.23706	3.0
459.27423	20.9
477.28589	27.6
495.22281	4.0
495.29538	67.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60804	2.1
53.03939	5.3
55.01861	9.2
55.05514	28.7
56.46947	2.0
57.03431	19.4
58.81129	2.3
59.04988	3.6
60.68106	2.1
61.02912	6.5
65.03960	3.7
67.05507	100.0
68.04877	2.0
69.03422	4.6
69.07075	18.3
69.87097	13.0
71.04991	7.1
73.02911	5.6
79.05499	41.7
81.03423	15.7
81.07059	75.3
83.04971	11.2
83.08633	17.3
85.02923	15.6
85.06532	5.2
87.04466	7.7
91.05483	28.7
93.07039	40.9
95.04973	11.4
95.08608	23.0
97.02926	10.0
97.03468	2.1
97.06521	9.6
97.09700	1.7
97.10185	15.5
105.07021	12.3
107.04964	5.3
107.08582	31.1
109.06515	3.6
109.10159	46.2
111.08061	6.0
116.04642	2.0
117.07034	7.3
119.08583	9.5
119.87277	2.0
121.06549	2.3
121.10155	9.9
123.08085	2.5
123.11688	4.2
125.09635	15.7
129.05505	6.1
131.08537	9.2
133.10146	12.8
135.11703	9.2
143.10675	3.7
145.10101	5.7
147.07957	2.4
147.11673	4.3
149.09590	2.7
149.13252	12.1
153.12770	3.6
154.53857	2.0
155.10635	3.2
157.10107	2.5
159.11726	7.9
163.11169	10.7
165.12849	3.1
173.09596	3.5
173.11739	17.3
177.12775	3.3
181.12244	3.9
191.10686	2.8
193.12257	3.9
195.13829	15.7
199.13231	7.4
209.11795	8.1
211.13229	2.6
213.14799	2.4
227.12843	6.2
229.14352	45.2
239.16521	4.2
249.14850	2.5
267.15942	8.6
269.17508	49.9
283.15381	5.6
294.48154	2.2
301.16449	16.2
357.24588	3.0
411.27448	6.1
423.27408	30.7
429.25806	2.1
495.29480	49.5
500.63953	2.4
513.30688	20.8
567.73352	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	692.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68382	1.2
53.03942	3.6
55.01868	4.7
55.05509	32.5
57.03167	1.2
57.03430	17.2
57.07064	2.3
57.91602	1.4
59.05001	2.7
61.02921	7.1
65.03929	3.8
67.05502	100.0
69.03425	3.5
69.07065	18.8
71.01342	1.9
71.04985	5.9
73.02906	4.9
79.00706	1.4
79.05490	43.0
81.03413	12.8
81.07055	80.2
83.04980	8.5
83.08614	23.6
85.02901	16.8
85.06537	6.8
87.04463	5.4
89.83863	1.2
91.03967	2.2
91.05475	27.1
93.07043	46.5
94.92042	1.2
95.04965	9.0
95.08610	21.8
97.02880	7.2
97.06520	9.5
97.10164	15.1
98.21509	3.3
99.04419	1.3
99.08101	1.2
103.03925	1.8
105.04572	1.4
105.06431	1.8
105.07012	10.7
107.04956	5.6
107.08594	25.7
109.06486	3.1
109.10152	49.2
111.04443	2.8
111.08026	7.0
114.90203	1.3
116.04684	1.5
117.07002	8.3
119.08589	9.0
121.06474	3.4
121.10146	11.2
123.07990	2.5
123.11720	4.1
125.09626	13.9
129.05431	6.4
131.08551	8.7
133.10133	13.5
135.08028	2.5
135.11702	12.9
137.09630	2.7
143.10652	2.3
145.10098	4.2
147.11699	3.7
149.13240	12.3
151.11282	1.4
153.12790	2.8
155.10652	3.2
159.11682	8.1
163.11177	5.2
165.12807	2.6
173.11742	15.5
177.12738	5.6
179.43767	1.5
181.12213	2.7
191.10654	2.6
193.12170	2.5
195.13817	14.9
197.11655	1.2
199.13289	5.5
209.11754	6.5
213.14854	2.5
227.12773	4.6
229.14342	39.8
239.16583	1.4
257.13895	4.7
267.15906	4.7
269.17487	54.3
283.15347	3.0
297.16928	1.9
301.16455	10.8
317.36447	1.2
344.84378	1.2
351.91531	1.3
393.26352	2.4
411.27560	5.9
423.27359	29.1
495.29544	42.5
513.30560	16.7
585.42053	1.3
600.25824	1.3
604.45966	1.5
692.35809	1.4
693.31543	1.4
699.79572	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70276	2.7
55.05507	22.5
57.03433	12.9
61.02917	5.2
67.05506	36.3
69.03422	6.5
69.07056	13.2
70.30483	11.1
71.04993	8.2
75.30909	2.8
77.55717	2.6
79.05489	33.6
81.03419	79.5
81.07059	46.8
82.07388	4.6
83.04988	19.1
83.08129	3.9
83.08610	28.1
85.02905	30.5
85.06557	3.9
91.05476	49.2
93.07047	26.4
93.30672	2.9
95.04962	42.1
95.08585	16.6
97.02890	7.1
97.06477	4.3
97.10162	6.9
105.07028	31.9
105.17538	3.0
107.04961	12.9
107.08609	18.5
109.06516	6.2
109.10164	6.4
111.04475	4.8
111.08072	9.7
117.07043	6.7
119.08587	30.3
121.06473	3.6
121.10137	19.6
123.08092	4.5
125.09615	5.3
129.07010	13.6
131.08571	16.1
133.06575	3.8
133.10117	18.4
135.11690	3.3
142.07814	4.5
145.10138	6.0
147.11653	24.1
149.09630	10.1
157.10121	22.0
161.82011	2.8
163.11163	9.9
165.12724	4.9
175.11201	23.0
193.12239	54.7
211.13281	76.5
227.12843	6.1
267.15912	51.8
284.15741	3.4
285.16965	85.1
286.17300	5.2
291.38196	3.1
367.22964	3.5
385.23651	6.3
403.24591	6.3
459.27359	24.5
477.28506	60.6
495.29446	100.0
500.35641	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	691.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32166	0.5
53.03933	1.0
55.01862	0.9
55.05498	3.3
57.03428	2.1
57.07066	0.8
61.02928	6.0
65.03923	0.8
66.01157	0.6
67.05170	1.0
67.05505	13.3
69.03426	4.0
69.07056	2.7
69.24532	7.2
71.04993	2.2
73.02919	4.7
79.05496	5.2
81.03419	4.7
81.07054	7.7
83.04964	1.3
83.08624	2.1
85.02907	7.1
91.03949	2.6
91.05474	5.0
93.07040	5.5
95.04967	1.6
95.08598	6.0
97.02890	5.5
98.20785	1.4
98.98476	0.7
99.04448	1.0
101.02382	1.7
105.07040	2.7
107.04916	1.1
107.08591	3.3
109.02872	1.3
109.10148	9.7
111.04449	0.7
111.08070	0.9
117.06989	1.2
119.08591	2.9
121.10156	2.6
123.11732	1.1
127.03918	2.2
129.05528	0.8
129.07014	1.0
131.08574	1.1
133.10127	1.4
135.11685	0.9
137.09615	0.9
145.10173	1.4
147.11705	1.3
149.13237	1.0
159.11568	0.9
173.11813	1.6
173.13228	1.0
175.11081	0.7
186.16910	0.7
211.13319	1.1
235.97882	0.6
243.08403	1.8
305.98761	0.7
335.25879	1.0
413.17792	12.7
508.04474	0.7
519.29388	7.0
519.36371	1.1
529.39209	1.1
691.40240	100.0
692.40649	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	691.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12987	0.4
53.03943	1.1
55.01868	1.0
55.05511	3.8
57.03430	2.1
61.02927	5.4
67.05505	11.1
69.03434	4.2
69.07063	2.1
69.24619	5.4
71.01353	1.1
71.05006	0.9
73.02917	4.7
79.05490	5.0
80.66663	0.4
81.03418	3.9
81.07054	6.7
83.04987	1.0
83.08617	1.8
84.58874	0.4
85.02910	6.0
85.06526	0.5
88.19860	0.5
91.03963	3.9
91.05500	2.9
93.07034	5.7
95.04967	1.2
95.08596	5.2
97.02888	5.4
97.06527	0.8
97.10136	0.9
98.98468	0.7
99.04437	0.9
101.02385	2.1
103.03958	0.5
105.07031	1.8
107.08614	2.8
109.02879	1.1
109.10152	6.0
115.03891	0.5
117.07008	1.0
119.08600	1.9
121.10166	1.7
123.11726	1.0
127.03940	1.3
129.05486	0.5
129.06967	0.4
131.08575	1.6
133.10176	1.0
135.11708	1.4
145.10194	0.9
147.11728	0.6
149.13203	0.8
157.10075	0.7
165.06932	0.4
173.11752	1.2
185.04202	0.7
193.12167	0.6
195.09865	0.6
211.13232	0.9
229.14357	1.1
243.08548	1.3
245.12697	0.4
277.94196	0.4
311.25687	0.5
333.24918	0.6
335.25937	1.0
374.77530	0.6
413.17874	5.2
519.29364	10.7
519.36743	1.3
529.38715	1.0
691.40240	100.0
692.40698	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	691.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06410	1.0
64.63014	0.9
65.96089	1.0
70.41341	2.4
72.58885	0.9
77.00887	1.3
81.03375	1.3
81.12522	0.9
82.99836	1.1
84.48769	0.9
88.01676	1.0
89.03902	3.0
89.04420	0.9
94.34371	0.9
97.02883	1.4
97.90601	0.8
101.00865	4.3
109.02861	1.7
116.98653	1.5
117.03365	7.6
119.01920	23.2
120.10957	1.0
131.01910	8.0
137.02937	4.8
141.30299	1.1
143.01894	16.1
145.02745	36.4
146.03273	0.9
147.01370	2.9
147.04352	1.8
149.02977	1.8
149.05978	2.0
150.90262	1.0
155.01901	9.5
157.03484	4.2
161.02951	22.5
163.04527	1.9
167.01888	4.1
169.03462	2.4
171.05035	1.4
173.02962	23.5
175.04501	3.3
177.05467	100.0
178.05875	2.6
179.01895	1.6
185.02969	25.3
187.04521	2.9
189.02422	1.4
191.03961	1.5
194.04245	2.3
197.02917	9.0
203.03999	9.4
205.03758	1.1
208.04671	1.3
215.04005	5.3
216.29654	1.0
217.03629	1.4
219.01514	1.4
220.02132	3.4
221.02951	3.9
221.05116	2.6
223.04541	2.0
227.04015	3.3
233.01489	1.2
234.03688	1.9
235.04533	16.3
236.05077	1.1
238.03203	3.6
239.03973	1.6
244.02180	2.9
245.05080	52.4
246.05247	2.0
252.04749	1.2
253.05589	4.6
253.21147	0.9
257.05069	2.6
259.04547	13.5
262.03247	13.5
263.06158	6.2
271.06635	3.9
272.01929	1.5
275.06247	6.3
277.05457	12.5
280.04367	1.7
287.04135	7.0
293.05008	3.3
295.06622	56.2
296.07062	2.2
297.08432	1.2
305.07587	5.7
307.06641	1.2
309.08191	1.5
311.65903	1.1
313.07758	11.1
318.08304	4.2
319.06647	3.2
325.07660	6.1
331.06613	3.7
335.04617	1.4
335.08295	2.6
337.07681	30.1
349.04047	5.9
349.07437	1.8
355.08783	3.6
365.09198	3.6
367.08789	3.7
367.13065	1.2
378.10443	1.3
379.08725	27.1
397.09821	39.4
398.09933	1.4
409.06067	10.3
415.10989	1.3
420.11127	1.3
421.06125	2.4
427.07065	1.5
469.08240	2.4
511.09390	1.8
529.10248	3.8
559.15308	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82952	0.9
53.03947	2.5
55.01872	4.9
55.05508	12.8
57.03438	10.4
61.02929	2.6
65.03932	1.2
67.05503	19.5
69.03445	2.7
69.07069	7.4
70.65630	1.7
70.65996	3.4
71.04984	4.0
73.02901	2.4
79.05491	27.3
81.03416	36.1
81.07053	29.5
83.04983	10.8
83.08617	19.1
85.02902	16.6
91.05480	24.1
91.06011	1.9
93.07043	33.5
95.04969	18.5
95.08603	31.2
97.02883	6.7
97.06523	4.2
97.10165	1.7
99.04482	4.2
105.07019	17.1
107.04965	9.7
107.08598	22.9
109.06506	2.9
109.10140	4.4
111.04449	2.4
111.08091	5.9
113.06037	1.6
117.07003	8.9
119.08585	14.9
121.06503	6.1
121.10143	17.1
123.08090	2.1
123.11699	1.2
125.06007	1.8
125.09647	1.1
129.07025	6.2
131.08575	6.7
133.10114	8.1
135.08054	2.2
135.11687	38.9
135.12715	2.2
139.07541	1.6
141.28207	0.9
144.30396	1.1
145.10123	27.0
147.11679	10.2
149.09615	3.9
157.10103	10.3
163.11176	55.3
165.12788	1.9
175.11154	9.3
181.12199	9.2
193.12247	25.9
209.11749	1.6
211.13264	37.8
222.28812	1.1
227.12770	75.9
267.15906	29.8
267.18604	2.1
283.12967	0.7
283.15396	55.0
285.16949	59.0
449.10681	1.1
475.26910	29.0
493.27951	100.0
494.28305	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.6
52.82140	0.4
53.01365	0.4
53.03950	0.7
57.03436	0.4
57.16438	0.3
69.03436	2.5
69.94214	1.2
69.94646	1.3
70.06592	0.5
79.01852	3.1
81.03418	4.7
85.02904	3.6
93.86392	0.3
97.02895	4.9
99.04470	0.7
104.29582	0.4
107.01315	1.4
107.04980	0.4
109.02889	4.8
125.02348	3.8
127.03905	7.0
131.04921	1.1
137.05983	8.1
143.03398	5.9
145.04965	0.6
153.01830	100.0
154.02190	1.6
168.00209	0.4
170.45299	0.5
171.02888	12.2
177.05502	0.5
201.93079	0.5
223.09818	0.6
297.06049	7.3
315.07095	13.6
333.46887	0.4
341.13718	2.1
359.14929	1.1
396.12213	0.4
472.92612	0.5
589.38123	0.5
690.28058	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	14.2
55.01865	8.4
55.05508	40.2
57.03434	14.1
57.07066	5.9
60.26278	2.0
61.02921	7.7
65.03932	6.2
67.05502	86.1
68.82387	1.9
69.03082	3.3
69.03432	39.5
69.07069	24.1
70.13537	2.0
71.05009	11.9
71.08610	2.6
73.02915	3.4
79.05490	72.4
81.03418	100.0
81.07057	96.5
82.07396	2.3
83.04978	25.5
83.08614	28.2
85.02907	23.1
85.06545	3.8
91.05479	71.0
91.10220	1.9
93.07043	74.1
95.04969	27.8
95.08604	45.8
95.09166	3.4
97.02889	29.7
97.06525	12.6
97.10162	8.0
99.04447	8.7
99.08081	4.2
103.05424	4.6
105.07032	56.9
107.04949	13.1
107.08594	43.1
109.02883	16.4
109.06518	8.2
109.10168	20.7
111.04424	12.9
111.08092	8.2
115.05476	4.6
117.07005	24.5
119.08580	39.9
119.46844	2.2
121.06516	7.2
121.10126	31.9
123.04386	3.5
123.08035	4.3
123.11712	9.9
127.03917	15.5
128.06210	4.0
129.05527	3.8
129.07007	23.0
131.08563	40.9
133.06499	5.7
133.10143	31.2
135.08067	6.6
135.11693	17.6
137.09593	2.9
141.06975	6.9
142.07768	5.2
143.08588	14.8
145.06476	5.9
145.10107	23.5
147.08002	4.5
147.11671	26.6
149.09666	7.8
149.13289	9.6
151.11198	3.6
155.08562	9.1
156.09343	2.4
157.10144	24.2
159.08043	3.6
159.11725	17.1
161.09642	3.2
161.13269	8.4
163.11191	7.2
165.12814	7.8
167.08588	4.0
169.10092	11.4
171.08047	4.3
171.11705	13.7
173.04466	10.3
173.09642	3.4
173.13237	9.5
175.11160	12.5
175.14992	2.6
177.12711	3.1
181.10121	6.7
181.12172	2.7
183.11700	10.0
185.09709	3.4
185.13225	9.2
187.14864	5.4
189.12698	2.7
191.10695	3.6
193.10378	4.5
193.12233	36.8
195.11792	5.4
197.13214	5.7
199.14893	4.5
201.12888	2.1
209.13210	4.5
211.13257	53.6
213.16521	3.8
221.13324	2.5
225.12857	2.6
225.16458	3.9
227.12694	4.9
229.14252	3.1
229.75996	2.4
231.70587	2.3
249.14835	3.1
259.20538	6.0
261.22098	4.8
267.15955	9.5
271.16901	2.7
285.17056	7.1
287.05582	2.5
289.21390	2.5
291.19275	4.1
301.21722	3.6
315.23315	3.2
333.24451	2.7
335.25793	13.6
351.23203	4.3
355.17444	6.3
369.24121	8.4
384.47568	2.2
405.26291	3.3
411.19742	3.9
417.31519	3.9
435.32599	10.4
443.27377	4.2
453.33511	5.2
471.34708	5.0
509.36804	3.4
517.39270	3.1
527.37286	53.3
528.37384	3.0
541.37341	2.4
545.38177	8.7
569.37695	2.4
635.39410	2.5
653.40472	8.3
671.40875	12.1
686.84802	2.2
689.42560	52.2
702.54315	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00001	2.0
53.03937	13.7
53.52632	2.3
54.67754	2.4
55.01855	5.7
55.05310	2.4
55.05517	29.0
55.12086	2.3
55.65565	2.3
57.03427	12.4
57.07052	4.4
61.02917	10.3
65.03930	5.1
67.05506	65.6
69.03429	24.1
69.07069	24.4
69.35385	25.2
71.01344	2.7
71.04977	9.9
72.33963	2.7
73.02914	6.2
79.05069	3.2
79.05498	51.4
81.03419	73.3
81.07058	73.6
83.04978	17.4
83.08627	13.0
85.02912	20.0
85.06542	3.6
91.03960	4.4
91.05479	56.1
93.07043	56.2
95.04968	14.2
95.08608	43.7
97.02882	29.7
97.06506	7.5
97.10168	6.7
98.20592	2.2
99.04459	8.6
99.08088	4.1
105.07034	52.2
107.04974	4.4
107.08588	30.0
109.02858	12.5
109.06526	9.6
109.10141	14.7
111.04443	4.4
111.08092	3.0
115.05449	4.3
117.07015	27.5
119.08583	39.7
121.06484	3.5
121.10146	21.4
123.08068	4.9
123.11714	8.0
125.09641	3.3
127.03879	14.2
128.06215	6.0
129.05486	8.4
129.07002	20.8
131.08569	42.4
133.06511	4.5
133.10146	20.3
135.08064	3.8
135.11687	14.2
137.09598	2.7
141.06970	11.0
142.07739	4.3
143.08559	19.9
145.10138	27.7
147.11678	27.1
149.09683	2.5
149.13237	8.8
155.08600	15.0
157.10130	19.0
159.08015	4.7
159.11707	21.9
161.13269	8.8
163.11217	4.6
165.12730	4.9
167.08495	5.8
169.10120	11.9
171.11674	15.9
173.04478	11.2
173.13263	12.5
175.11270	5.6
175.14941	3.0
177.12715	5.2
179.08511	4.0
181.10109	6.3
183.11682	14.3
184.07309	3.7
185.09506	2.7
185.13269	10.8
187.14804	8.2
189.12718	2.9
195.11708	9.9
195.13672	3.1
197.13286	12.0
199.14896	6.5
207.11742	3.2
209.13206	8.1
211.14922	5.2
213.16417	4.5
214.91637	2.6
223.14818	5.3
235.14937	3.7
237.16504	3.9
241.19577	7.8
259.20593	7.7
261.22107	5.4
267.15939	9.0
269.17435	5.6
271.20599	4.7
276.70279	2.8
307.28229	3.2
314.12982	2.4
315.23178	3.1
333.24371	3.5
335.25812	6.8
339.22995	5.1
357.24802	2.7
367.22610	4.2
411.20264	3.0
413.22086	3.2
415.28638	2.9
435.32495	10.6
453.33810	7.3
499.36496	2.6
509.36060	9.7
517.39111	5.4
525.35510	3.9
527.37378	100.0
529.39069	3.5
545.37878	9.9
635.39288	4.8
653.40308	8.2
671.40955	9.1
689.42560	34.7
690.43591	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.9
52.96745	2.1
53.03935	11.4
55.01861	8.0
55.05506	31.3
55.36041	2.5
56.69046	2.6
57.03436	13.1
57.07068	5.6
65.03926	3.4
67.05502	73.3
69.03075	3.2
69.03429	35.2
69.07065	25.9
71.04987	13.1
73.02895	2.2
79.05489	69.8
81.03416	100.0
81.07056	85.9
83.04968	22.4
83.08627	24.2
85.02910	16.4
91.05477	67.4
93.06468	5.1
93.07037	67.9
95.04967	36.3
95.07980	3.4
95.08597	51.3
97.02898	26.6
97.06541	7.5
97.10165	4.3
98.20753	6.5
99.04439	6.7
99.08102	3.1
101.02370	2.7
105.07029	50.2
107.04942	7.1
107.08598	33.7
109.02885	18.1
109.06508	8.8
109.10147	16.8
111.04443	9.3
111.08076	11.5
115.05468	5.5
117.06999	17.5
119.08591	37.9
121.06502	6.4
121.10143	32.8
123.04411	3.5
123.08057	4.1
123.11740	11.9
125.09684	3.5
127.03922	12.5
129.05467	4.8
129.06987	19.6
131.08554	32.3
133.06494	5.7
133.10130	22.6
135.08064	5.1
135.11668	18.4
137.09557	3.6
141.06975	4.1
142.07814	2.7
143.08589	10.6
145.06496	4.1
145.10133	14.7
147.08031	3.8
147.11681	27.3
149.09628	8.3
149.13258	9.1
153.12726	3.9
155.08528	4.8
157.10126	18.8
159.11676	10.2
161.09656	3.6
161.13232	10.5
163.11186	5.7
163.14803	2.4
165.12727	7.7
169.10133	4.7
171.11674	6.7
173.04442	5.8
173.13275	6.5
175.11191	14.1
175.14844	2.8
181.10112	3.6
183.11678	7.7
185.13268	4.6
187.11215	3.9
187.14732	3.0
191.10678	3.4
193.12228	46.6
195.11641	3.2
197.13339	4.8
199.14801	3.0
209.13457	2.7
211.11382	2.3
211.13251	59.1
227.12746	4.3
229.51248	3.2
235.13167	2.6
249.14720	3.0
255.27451	2.5
259.20483	4.5
261.22098	6.2
265.14075	2.5
267.15909	9.6
285.16913	8.1
301.21344	2.9
315.23328	2.8
335.25876	13.1
337.16473	3.4
351.22922	4.1
355.17615	5.2
369.24240	6.6
387.25214	4.2
411.20135	8.3
417.31955	2.7
461.29187	4.0
471.34235	2.3
527.37396	20.2
545.38190	10.8
601.43701	2.7
653.39923	5.1
655.88129	2.6
671.41602	6.4
689.42456	53.4
690.41986	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	16.4
55.01870	10.0
55.05511	31.2
57.03421	12.5
65.03935	8.4
67.05508	82.4
69.03430	35.8
69.07072	21.0
69.37719	28.9
71.04995	12.8
71.22797	2.7
79.05065	4.6
79.05492	70.8
81.03419	100.0
81.07056	71.0
83.04995	21.1
83.08625	20.0
85.02914	22.5
85.06554	3.1
87.04453	3.3
90.02615	2.7
91.05482	66.3
93.06470	4.8
93.07041	67.7
95.04976	38.9
95.08608	47.6
97.02876	21.5
97.06522	10.1
97.10163	6.4
98.20800	6.5
99.04450	5.2
105.07031	49.7
107.04935	10.1
107.08587	35.3
109.02880	16.8
109.06506	8.7
109.10168	16.1
111.04417	15.9
111.08078	11.6
115.05511	3.3
117.07013	15.3
119.08587	31.3
121.06541	7.1
121.10158	30.2
123.04430	4.6
123.08079	4.6
123.11687	9.4
125.09606	4.7
127.03912	15.4
128.06238	5.4
129.07021	17.9
131.08582	29.2
133.06483	5.5
133.10115	22.1
135.08093	3.0
135.11688	16.6
137.09589	3.8
141.06940	4.7
143.08572	6.7
145.06487	3.3
145.10133	15.8
147.08075	6.6
147.11673	22.5
149.09639	6.0
149.13213	4.3
155.08540	5.9
157.06454	3.2
157.10123	16.9
159.11710	11.4
161.13252	3.9
161.32730	2.6
163.11128	4.7
165.12714	6.0
169.10144	6.8
171.08112	3.4
171.11661	7.6
173.04483	4.1
173.09567	2.9
173.13174	6.6
175.11162	7.8
181.10234	3.1
181.12180	6.1
183.11696	7.7
185.13306	3.1
187.14764	3.5
191.10675	2.8
193.12225	43.5
195.11728	4.4
197.13307	2.7
199.14687	3.5
211.13283	52.5
216.80469	2.7
227.12756	4.4
229.14389	3.2
259.13559	3.1
259.20374	3.0
261.22226	6.8
267.15833	6.9
285.17023	11.1
289.21381	3.6
307.63861	2.9
335.25885	13.8
341.24976	3.7
351.23035	5.4
355.17273	4.7
369.24078	5.5
387.25497	5.0
411.19958	3.8
461.28772	3.9
466.29050	3.1
479.29916	3.8
527.36951	11.8
545.38763	3.8
653.40771	4.8
671.40961	11.0
689.42480	46.9
690.42352	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	689.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	13.7
54.53796	2.0
54.68982	2.6
55.01870	6.3
55.05509	32.6
57.03428	10.5
57.07067	3.1
65.03942	5.8
67.05501	70.0
69.03138	2.4
69.03438	30.9
69.07066	20.4
70.19940	6.4
70.20338	4.3
71.04994	12.9
73.02905	3.2
75.41726	2.3
79.05494	68.7
81.03417	100.0
81.07058	70.2
83.04977	19.8
83.08612	24.5
85.02891	17.2
91.05478	63.0
92.79755	2.4
93.07050	71.5
93.07635	5.0
95.04969	41.8
95.08607	44.2
97.02884	19.7
97.06519	7.8
97.10172	8.4
98.20879	2.8
99.04449	6.6
103.05460	2.9
105.04541	2.9
105.07030	49.5
107.04980	11.6
107.08592	34.1
109.02862	15.5
109.06540	10.9
109.10156	18.1
111.04451	12.0
111.08064	11.0
113.06029	2.4
115.05479	3.2
117.07022	22.6
119.07808	2.7
119.08591	37.7
121.06484	6.1
121.10161	22.2
123.04447	6.7
123.08059	2.6
123.11724	6.1
125.09637	4.0
127.03919	11.2
128.06200	5.0
129.05479	4.8
129.07011	18.5
131.08577	32.4
133.06464	7.0
133.10144	20.7
135.08037	3.2
135.11687	15.4
137.09641	3.5
142.07785	3.9
143.08571	13.9
145.06551	3.8
145.10126	24.6
147.08032	6.5
147.11685	25.7
149.09627	7.0
149.13286	4.4
153.12695	2.6
155.08542	5.2
157.10127	15.8
159.08083	4.2
159.11714	15.8
161.13275	7.0
163.11182	8.9
165.12810	7.8
169.10106	2.9
171.11719	9.6
173.04517	2.5
173.09592	3.4
173.13329	8.1
175.11182	11.7
177.12862	3.6
179.08524	3.5
181.10117	4.2
181.12199	3.2
183.11671	8.2
185.09654	3.0
185.13226	4.8
187.11366	2.4
187.14760	3.3
189.12782	2.6
191.10593	4.8
191.14369	2.2
193.12250	31.3
195.11740	4.2
197.13264	4.2
199.14809	2.7
201.12770	3.2
207.13712	3.5
209.13341	4.6
211.13257	48.4
211.14995	4.1
217.12209	2.3
229.14299	2.6
235.13196	6.6
249.14951	2.7
259.13168	3.4
259.20578	3.2
261.22122	8.0
267.15930	10.0
273.14908	4.2
285.17035	8.6
301.14304	5.2
301.21622	2.9
335.25864	15.8
337.16193	4.0
345.24359	2.9
351.23251	3.9
355.17578	3.3
369.24286	9.8
375.18295	3.5
387.25043	3.8
405.25528	2.6
411.20013	4.3
443.27802	3.9
527.37195	10.0
545.37964	9.2
653.40173	8.5
671.41412	8.2
689.42474	43.3
690.42505	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	689.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
55.01868	0.7
55.05515	2.3
57.03429	1.4
61.02930	3.6
67.05503	5.9
68.31140	0.5
69.03427	3.3
69.07062	1.4
70.03290	2.7
71.04994	0.6
73.02919	2.1
79.05493	7.4
81.03407	3.1
81.07061	5.9
83.04997	1.3
83.08601	0.9
85.02890	5.3
91.03965	2.5
91.05482	6.4
93.07033	7.2
95.04985	2.5
95.08602	3.3
97.02882	4.2
97.06510	0.9
99.04452	0.6
101.02390	1.6
105.07031	4.0
107.04977	1.1
107.08607	2.5
109.02865	0.6
109.06516	1.1
109.10172	1.3
117.07037	1.4
119.08591	1.9
121.10149	1.3
127.03958	1.3
129.07037	1.8
131.08582	1.5
133.10143	1.1
143.08553	1.2
144.95638	0.7
145.10147	1.5
146.58986	0.6
147.11687	3.2
149.09560	0.6
159.11577	0.6
159.67296	0.6
161.13315	0.7
171.11693	2.3
207.13879	0.6
243.08507	1.6
247.13121	2.2
291.20111	0.7
301.20230	1.0
350.17712	1.0
350.67767	1.6
465.20905	14.7
497.91736	0.6
617.18872	0.7
689.35010	100.0
690.35510	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	689.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.28443	0.5
70.88739	1.5
79.07758	0.6
91.05457	1.3
92.10439	0.6
115.05465	1.5
117.05737	0.8
117.07042	0.8
118.06540	15.9
130.06519	1.4
132.08098	4.9
132.82762	0.5
142.06491	1.5
143.07291	2.5
144.08081	11.4
146.06010	54.1
147.06345	1.3
147.69026	0.5
153.01895	0.6
159.09181	4.7
160.07526	1.0
170.05998	3.5
188.07066	100.0
189.07381	1.5
205.09726	34.9
206.09941	0.6
214.16484	0.6
453.05661	0.5
599.35480	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.5203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20742	1.4
55.05504	2.6
57.06824	1.9
57.07075	23.8
60.08160	2.5
67.05492	2.9
69.07056	4.3
70.06142	7.4
71.08633	15.9
73.06537	5.2
79.05503	2.8
81.07039	3.7
83.08595	2.4
85.10181	12.2
86.09712	17.3
87.04459	8.9
89.06033	100.0
91.05491	2.3
93.07047	1.9
95.08597	2.9
97.10178	3.5
98.98456	4.8
99.11729	2.8
104.10712	1.6
105.07054	1.9
107.07041	5.1
111.11707	2.0
113.13319	1.7
117.09126	5.2
119.08544	1.6
119.48762	1.5
121.10199	1.6
122.71540	1.7
124.99988	12.4
130.08607	3.0
131.07028	3.6
133.08601	63.7
133.10112	2.7
161.11687	1.7
175.09705	2.6
177.11237	27.2
184.07341	63.9
208.52260	1.6
221.13837	3.9
223.15218	1.9
257.24670	1.6
283.17514	2.8
327.19901	2.1
452.29770	1.8
503.30533	5.2
578.01447	1.7
590.42438	2.7
591.43488	4.0
688.30341	3.7
688.40765	3.0
689.41010	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45827	2.3
53.03936	5.3
54.86050	2.4
55.05511	20.6
57.03420	8.9
59.10737	2.5
67.05502	44.3
69.03431	4.5
69.07057	9.6
69.35796	26.7
79.05486	64.0
81.03417	56.2
81.07057	45.5
83.04979	20.3
83.08606	17.4
83.28909	2.6
85.02895	12.2
85.06545	3.6
91.05472	62.1
93.07036	54.3
95.04967	36.1
95.08602	23.1
97.06527	5.7
97.10146	5.5
101.50886	2.2
101.73830	2.6
105.07021	42.2
107.04935	11.3
107.08576	14.6
109.06525	4.7
109.10195	3.6
111.08089	5.6
113.05982	2.6
117.07016	8.2
119.08562	31.3
121.06467	3.8
121.10144	9.2
123.08099	3.6
129.07021	19.4
131.08534	10.0
133.10121	11.0
143.08549	6.0
145.10127	3.6
147.08034	6.7
147.11684	39.4
149.09602	5.9
150.13635	2.9
157.10121	9.5
161.09619	3.8
161.13283	9.5
167.91289	2.2
171.11693	14.1
175.11143	11.6
176.19678	2.4
189.12820	6.9
193.12219	31.5
207.13759	21.4
211.13271	37.4
267.15863	37.0
281.17447	60.4
285.16946	39.5
430.25507	2.7
473.28937	100.0
474.29044	3.5
491.29980	77.5
515.83453	2.6
681.94232	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02352	0.6
53.03942	0.9
55.01842	1.2
58.01897	0.6
60.81001	0.6
69.03408	1.7
70.06581	0.8
71.57827	1.3
72.08105	0.6
78.04702	0.9
79.05485	2.6
81.03405	2.2
85.02902	4.1
86.09723	0.6
87.00812	2.0
91.05465	1.1
93.07037	1.0
95.04947	1.5
97.02888	1.8
103.05458	3.9
105.07029	5.0
106.04153	0.7
107.04952	6.0
109.02867	1.9
111.04445	1.6
115.05461	1.9
117.07002	1.7
119.04927	1.0
121.06488	2.2
123.04435	5.2
124.05186	1.8
125.05946	0.7
127.03889	1.4
129.07001	1.2
131.04919	7.3
133.06465	4.9
135.08012	0.8
137.06000	3.0
141.06952	0.8
144.05690	1.3
145.06461	2.6
145.10080	1.0
146.44746	0.7
147.04407	2.1
149.05934	0.8
151.03862	1.5
151.07538	2.6
152.04654	1.8
153.01797	0.9
153.05487	1.0
158.07251	0.7
159.02924	1.0
159.08078	1.0
161.06003	5.5
163.07532	12.4
165.09106	0.8
167.07033	100.0
168.07329	1.8
173.06012	1.2
173.09576	0.8
175.07526	2.6
177.09081	2.4
179.07063	3.9
181.08607	6.1
187.07506	2.6
189.09120	0.8
192.07826	0.8
193.08600	16.3
201.09067	1.9
205.08626	2.0
207.10167	1.4
217.08620	1.1
219.10204	2.6
233.11694	3.5
233.47772	0.7
237.11186	3.0
247.09674	0.9
248.08215	0.7
249.11322	1.3
251.12769	1.6
277.10760	0.9
291.10117	0.9
295.13290	0.6
323.12704	2.4
355.15384	13.4
383.14215	0.7
387.13058	0.9
387.17981	11.5
405.19073	27.5
406.19278	0.8
415.17673	0.9
531.22168	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99043	2.7
53.03942	16.2
55.01866	12.9
55.05510	36.2
57.03432	9.9
65.03926	6.1
67.05508	80.4
69.03437	25.5
69.07071	43.1
69.33588	10.1
69.34008	17.7
71.04984	11.5
79.05495	66.3
81.03418	65.9
81.06583	5.6
81.07058	100.0
83.04973	13.8
83.08614	13.3
85.02887	10.5
85.06531	3.8
91.05479	73.4
93.07040	68.2
95.04967	24.1
95.08607	41.7
97.02876	13.8
97.06526	20.0
97.10165	8.3
99.04439	5.4
99.08105	3.0
105.07034	65.5
107.04932	11.3
107.08592	44.0
109.02877	10.3
109.06512	11.9
109.10177	15.2
111.04448	8.2
111.08106	6.2
115.05463	3.6
117.07016	26.0
119.08590	33.9
121.06500	6.5
121.10140	20.7
123.08060	6.5
123.11703	7.8
125.09624	3.9
127.03902	8.1
128.06233	5.0
129.05498	4.7
129.06985	18.9
131.04938	5.7
131.08578	37.9
133.06490	7.0
133.10143	37.9
135.08061	8.3
135.11717	13.5
137.09604	5.0
141.06926	6.5
142.07748	3.3
143.08575	11.2
145.06458	7.0
145.10127	29.1
147.08102	5.3
147.11678	19.0
149.09644	7.9
149.13240	12.2
151.11134	4.1
155.08560	12.3
157.10164	14.1
159.08017	4.7
159.11703	24.3
161.09586	3.4
161.13271	5.1
163.07616	3.3
163.11208	10.8
165.12717	5.7
167.08598	4.0
169.10127	10.9
171.11726	13.4
173.04445	9.3
173.09579	4.8
173.11740	4.1
173.13248	8.0
175.11165	4.2
175.14771	2.9
177.12767	8.5
179.08556	3.7
179.14316	6.5
181.10130	6.0
183.06497	3.5
183.08041	4.1
183.11656	10.8
185.13257	4.2
187.11198	4.9
189.11206	5.1
189.12837	3.6
193.10213	6.4
195.11650	5.9
195.13811	5.5
197.13254	8.8
201.12943	3.7
209.13190	6.3
239.18030	4.4
251.16420	3.2
257.18954	12.0
263.36081	2.9
267.15686	3.5
269.17575	8.1
275.20081	48.3
293.21167	4.1
320.88193	3.4
321.17203	3.3
339.18033	4.5
349.23929	7.1
354.87280	3.1
383.22049	3.5
395.20599	8.0
525.35986	14.0
543.36829	10.9
651.39136	5.8
669.39648	7.8
687.29993	4.0
687.40936	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	687.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.9
55.01879	15.6
55.05510	41.1
57.03444	22.9
61.02925	14.3
65.03930	7.5
67.05172	5.8
67.05506	89.9
69.03434	35.0
69.07066	32.1
70.10968	16.6
71.01384	3.9
71.04985	13.9
73.02922	8.6
79.05060	5.5
79.05496	80.8
81.03416	100.0
81.07059	80.8
83.04977	23.3
83.08623	23.6
85.02912	19.8
85.06527	5.2
90.98167	3.5
91.03953	5.6
91.05481	88.9
91.06396	3.6
93.07043	57.6
95.04967	36.9
95.08604	47.1
97.02881	27.1
97.06524	11.5
97.10187	10.3
99.04477	11.7
103.05467	5.1
105.06376	6.5
105.07027	64.6
107.04938	19.4
107.08581	34.2
109.02901	20.8
109.06503	11.8
109.10156	18.1
111.04443	10.6
111.08087	10.9
115.05457	6.2
117.07030	25.3
119.08582	47.1
121.06509	14.3
121.10152	23.5
123.08067	7.8
123.11710	6.3
125.09618	7.5
127.03905	10.3
128.06239	8.7
129.05476	4.4
129.07002	41.2
131.04903	6.7
131.08568	53.7
133.06497	5.4
133.10129	34.1
135.08080	7.8
135.11716	10.2
137.05945	5.3
137.09602	6.9
141.06975	18.6
142.07780	7.1
143.08560	34.9
144.71945	3.1
145.06514	9.5
145.10085	32.2
147.08098	7.1
147.11664	29.5
149.09642	10.3
149.13298	7.8
151.11307	3.0
153.07047	4.4
154.07736	4.5
155.08546	31.5
156.09398	3.9
157.06557	5.5
157.10144	35.0
159.08078	8.9
159.11703	25.0
161.13240	6.2
163.11151	6.6
165.07025	4.6
165.12738	4.3
166.07681	3.4
167.08565	16.8
168.09348	5.5
169.10107	24.1
170.54597	3.3
171.08060	7.2
171.11635	22.8
173.04489	17.7
173.09651	9.2
173.13261	10.7
175.11227	14.6
179.08582	7.3
180.09457	3.2
181.10101	14.0
183.08046	5.3
183.11714	21.1
185.09674	7.6
185.13254	19.1
187.11223	6.4
187.14767	4.5
189.12767	4.1
191.10765	5.1
192.09392	3.4
193.10178	11.6
193.12274	26.7
195.08090	4.3
195.11713	13.8
197.09648	5.3
197.13298	18.8
199.11154	7.5
199.14839	4.5
201.12775	5.9
205.10161	4.2
207.11725	10.0
209.09776	5.0
209.13275	10.5
211.11198	7.5
211.13319	31.6
211.15015	5.9
221.13310	6.8
223.11240	4.9
223.14813	6.0
229.14073	3.8
233.13315	4.4
235.14989	4.7
239.14381	5.8
239.18011	3.9
257.18988	5.5
259.20624	6.2
265.19415	4.0
267.15936	13.2
275.20102	10.6
283.20654	4.2
285.17194	10.7
301.21973	3.3
307.20648	6.9
313.21588	5.4
321.22089	4.3
323.23788	4.5
325.21606	5.4
332.55737	3.6
339.23126	9.2
349.21643	7.3
351.23282	6.1
367.22659	12.0
385.23846	7.7
385.70364	3.9
433.31097	15.3
441.26251	9.3
451.32123	9.6
459.27246	6.4
469.33047	4.5
507.34589	4.3
515.37512	4.2
523.33380	4.4
525.35791	78.1
543.36676	8.9
559.33990	5.4
567.36102	3.9
597.38159	5.1
609.37646	4.2
633.37878	6.2
639.38440	6.0
651.39148	28.0
669.40015	27.9
673.66577	4.0
680.69678	3.7
687.41309	72.2
687.53632	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	687.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	23.7
56.10371	6.1
57.06157	4.9
57.07067	16.5
67.05508	41.5
69.07047	15.9
69.67317	12.6
69.67732	26.4
70.59538	4.3
79.05503	28.1
81.07059	47.0
83.04962	5.7
83.08627	11.6
89.06034	7.1
89.23368	5.9
91.05456	29.3
93.07024	30.4
95.04956	5.9
95.08609	28.4
97.06522	5.0
97.10190	9.4
98.21416	7.3
98.98486	49.6
105.07033	23.1
107.08575	16.5
109.10150	18.0
115.05442	6.0
117.07001	14.0
119.08553	18.5
121.10149	8.8
129.07008	14.8
131.08563	15.7
133.10085	14.0
135.11732	6.2
141.06958	13.8
143.08562	17.1
145.10133	14.8
147.11714	9.6
153.06963	5.7
155.01050	9.1
155.08501	26.1
157.10146	17.2
159.11726	11.7
161.13316	8.2
165.07045	8.4
166.07866	6.5
167.08598	17.2
169.10165	25.9
171.11702	15.8
173.13281	7.3
176.32706	5.7
179.08578	17.4
181.02592	5.0
181.10094	24.1
183.11693	25.2
184.07286	8.8
185.13206	12.5
185.99646	5.8
192.09283	8.7
193.10143	15.8
195.11710	30.0
195.13553	6.5
197.13248	17.2
199.14764	11.5
207.11658	18.9
209.13275	24.2
211.14810	12.5
219.11722	11.9
221.13206	15.0
223.14766	13.8
225.16499	5.9
233.13237	6.5
235.14801	12.6
237.16441	10.2
246.29219	5.5
251.17986	6.3
263.17880	9.3
291.21167	6.8
321.22299	5.4
375.26880	7.6
379.25870	6.2
433.30969	6.1
445.31329	5.4
515.38898	28.6
533.39899	17.2
542.08875	6.0
571.41290	9.4
589.42474	100.0
607.43225	15.1
669.39532	7.2
687.29706	7.8
687.40210	96.9
688.39856	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	687.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16228	2.9
56.59386	3.7
56.96564	18.0
57.03460	3.4
60.04523	3.4
69.03433	9.4
69.60902	26.0
75.98297	2.7
81.03419	4.1
83.04985	7.6
84.96033	5.1
85.02911	18.3
97.02897	14.4
98.97606	5.0
100.20752	3.0
111.04456	7.3
115.02446	4.5
116.98619	3.6
117.03962	3.6
119.01928	11.2
127.03873	3.1
128.98587	4.1
131.01907	21.1
132.02032	4.1
133.03490	10.3
134.99683	4.0
137.03058	4.1
142.04843	3.0
143.01907	6.8
145.03493	11.2
146.99673	8.9
149.03058	3.6
155.01881	19.8
157.03468	20.7
161.01344	3.9
161.02957	12.1
169.03456	15.3
171.01331	4.3
173.02988	45.2
175.04527	10.3
181.03548	3.5
185.02959	12.2
185.42389	3.1
187.04514	19.1
189.02455	5.9
191.04068	3.4
197.03004	11.7
199.04486	9.2
203.04080	9.0
209.02968	10.3
211.04605	6.2
215.04028	7.8
227.04060	10.7
229.05717	7.3
231.03557	6.0
233.05237	4.3
239.04146	6.9
241.05489	3.3
255.03506	5.7
259.02991	3.9
260.94055	3.3
273.04526	7.1
285.04636	14.6
333.06900	3.7
345.06711	10.0
363.07703	4.4
397.52429	3.5
398.94736	4.3
405.08835	13.8
422.47238	3.5
423.09952	7.8
462.63864	4.2
477.10739	14.7
495.11801	12.3
513.49280	4.1
537.13062	100.0
538.13275	5.5
545.95160	4.4
555.13971	11.4
567.14606	5.0
627.16589	15.8
645.17407	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	687.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16228	2.9
56.59386	3.7
56.96564	18.0
57.03460	3.4
60.04523	3.4
69.03433	9.4
69.60902	26.0
75.98297	2.7
81.03419	4.1
83.04985	7.6
84.96033	5.1
85.02911	18.3
97.02897	14.4
98.97606	5.0
100.20752	3.0
111.04456	7.3
115.02446	4.5
116.98619	3.6
117.03962	3.6
119.01928	11.2
127.03873	3.1
128.98587	4.1
131.01907	21.1
132.02032	4.1
133.03490	10.3
134.99683	4.0
137.03058	4.1
142.04843	3.0
143.01907	6.8
145.03493	11.2
146.99673	8.9
149.03058	3.6
155.01881	19.8
157.03468	20.7
161.01344	3.9
161.02957	12.1
169.03456	15.3
171.01331	4.3
173.02988	45.2
175.04527	10.3
181.03548	3.5
185.02959	12.2
185.42389	3.1
187.04514	19.1
189.02455	5.9
191.04068	3.4
197.03004	11.7
199.04486	9.2
203.04080	9.0
209.02968	10.3
211.04605	6.2
215.04028	7.8
227.04060	10.7
229.05717	7.3
231.03557	6.0
233.05237	4.3
239.04146	6.9
241.05489	3.3
255.03506	5.7
259.02991	3.9
260.94055	3.3
273.04526	7.1
285.04636	14.6
333.06900	3.7
345.06711	10.0
363.07703	4.4
397.52429	3.5
398.94736	4.3
405.08835	13.8
422.47238	3.5
423.09952	7.8
462.63864	4.2
477.10739	14.7
495.11801	12.3
513.49280	4.1
537.13062	100.0
538.13275	5.5
545.95160	4.4
555.13971	11.4
567.14606	5.0
627.16589	15.8
645.17407	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	686.5407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32696	2.1
52.47845	2.1
55.05502	4.0
56.52832	1.9
57.07075	29.6
59.95917	2.2
69.07039	3.4
70.71352	5.4
70.71730	5.5
71.08630	32.8
73.06544	7.1
82.13362	2.1
83.08609	6.9
83.14187	2.9
85.10185	14.9
86.01191	2.1
87.04459	6.6
89.06027	100.0
97.10192	4.7
99.11732	3.5
107.07040	4.2
111.11729	2.8
117.09124	7.0
130.08664	3.2
131.07025	4.1
133.08600	62.4
138.66507	2.8
141.16426	2.9
141.65698	2.6
149.96228	2.7
158.09833	2.9
161.11783	2.6
177.11232	26.4
211.24168	3.6
255.26773	3.6
299.29791	3.5
344.73114	2.9
405.40347	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	686.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96133	1.2
53.03954	1.5
55.05515	10.6
57.03437	11.2
57.07082	2.5
57.82090	1.4
59.04991	4.0
61.02920	5.6
65.03922	2.9
67.05506	100.0
69.07059	6.2
69.40250	15.1
71.04977	3.9
71.66013	1.5
79.05492	15.4
81.07055	34.1
83.04974	2.1
83.08617	7.9
84.31911	1.6
85.02901	3.1
85.06540	3.0
91.03951	1.9
91.05480	14.0
93.07043	22.0
95.05001	1.8
95.08607	26.3
97.02878	2.0
97.10166	1.7
100.45023	1.4
105.07025	8.1
107.08586	14.1
109.10161	72.4
109.59645	1.3
110.10503	2.1
110.79443	1.6
111.08100	3.5
117.06989	2.9
119.08566	10.3
121.10110	11.0
123.11681	2.5
131.08548	6.2
133.10124	4.7
135.11710	6.6
137.09601	4.6
145.10182	3.1
147.11630	4.2
147.58440	1.4
149.13269	3.5
155.10667	4.5
159.11717	4.0
163.14842	1.8
173.11769	24.9
173.13269	4.1
187.14801	1.9
194.68585	1.5
227.12842	4.1
229.14355	95.5
230.14795	2.3
243.21155	5.2
261.22177	17.5
317.24875	3.4
335.25787	69.8
336.26196	2.1
336.90057	1.5
415.32376	1.9
489.35779	38.1
490.36292	2.4
507.37030	1.8
581.71912	1.7
626.99310	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.1
55.05305	1.0
55.05508	10.9
57.03433	10.6
57.07067	2.5
59.05006	3.1
61.02917	4.0
65.03940	2.8
67.05504	100.0
67.74107	1.1
69.03424	1.9
69.07060	7.0
70.27185	5.3
71.04980	3.5
79.05489	19.1
79.56189	1.3
81.06585	1.9
81.07056	34.3
83.08618	8.0
83.15327	1.1
85.02895	3.2
85.06529	2.6
91.03941	2.2
91.05481	16.0
93.07038	24.8
95.04940	3.2
95.08610	28.7
97.02882	2.3
97.06494	1.3
97.10136	2.0
98.20837	1.5
99.08101	2.0
105.07027	7.0
106.15036	1.2
107.08579	11.9
108.95309	1.2
109.06546	1.4
109.10153	76.9
111.08062	5.2
117.07012	4.5
119.08559	11.3
121.10151	10.0
123.11684	3.3
125.09621	1.4
131.08569	6.2
133.10143	5.6
135.11687	6.5
137.09598	2.5
137.13260	1.6
145.10120	2.5
147.11664	3.7
149.13228	4.5
155.10677	3.7
159.11661	3.7
161.13225	4.1
163.14897	2.5
173.11765	22.7
173.13261	3.7
224.13605	1.2
227.12805	3.6
229.14348	99.9
230.14757	1.7
243.21051	4.0
261.22083	17.6
262.22308	1.4
313.69208	1.1
317.24792	3.5
335.25784	85.6
336.26151	2.4
489.35733	55.8
489.42850	2.7
490.35849	1.7
507.36865	2.1
538.16382	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	7.1
57.07083	34.4
61.02921	9.3
67.05493	16.5
69.07063	8.4
71.08630	26.4
71.58671	3.6
73.02910	2.8
80.46120	2.5
81.03414	3.5
81.07067	17.1
83.08625	8.1
85.02926	18.4
85.10181	14.0
91.03957	15.7
94.13965	2.8
95.08603	28.7
97.02888	4.6
97.10162	8.5
105.07027	5.3
107.08555	3.8
109.10169	11.0
110.19084	2.9
121.10085	2.8
123.11694	5.0
131.08553	3.0
145.04968	6.9
149.96771	2.8
163.06020	12.3
225.71596	2.8
227.20132	6.3
228.20473	4.3
253.25284	25.3
271.26282	5.5
327.28934	100.0
327.32840	5.7
335.26474	2.9
345.29977	28.4
427.91699	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40244	1.0
53.03928	1.0
55.05294	0.8
55.05506	7.6
57.03424	3.6
57.07074	20.8
61.02930	10.5
66.56909	0.8
67.05502	12.6
69.03415	2.7
69.07066	12.2
71.04985	1.1
71.08628	15.0
73.02909	4.9
75.04476	1.8
79.05447	2.8
80.14898	0.9
80.65000	0.8
81.03382	2.2
81.06592	1.1
81.07054	22.1
83.08615	13.7
85.02901	12.9
85.06511	1.0
85.10172	6.6
91.03954	12.0
91.05466	2.7
93.07016	2.6
95.08603	30.6
97.02892	4.6
97.10160	13.6
105.06996	3.3
107.08604	2.1
109.02872	1.1
109.10157	15.3
111.11724	5.8
119.08556	1.0
123.11700	6.1
125.13257	2.0
127.03904	5.8
135.11664	1.3
137.13219	2.7
139.14790	1.2
145.04956	5.9
149.02228	1.1
149.94008	0.9
151.14781	2.7
153.16350	1.2
163.06024	12.2
165.16328	1.6
187.37364	1.0
193.04913	1.4
200.44963	0.9
235.24005	4.5
253.25267	4.2
271.26398	2.6
275.19998	1.3
295.98282	1.0
327.28915	100.0
328.29114	2.2
345.29968	27.6
425.87717	1.2
489.33984	1.1
534.98096	0.9
686.39301	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	685.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57037	1.7
52.04322	1.7
67.05483	2.8
69.21558	1.8
69.44136	15.0
79.05504	2.2
89.06054	3.7
93.07071	2.5
95.08614	3.4
98.21516	1.9
100.97186	1.7
144.10204	2.6
306.22214	2.0
333.20404	4.6
389.22852	3.2
432.18747	1.9
671.84210	2.0
685.46472	100.0
686.46460	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	686.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29019	0.4
55.01865	0.9
55.92705	0.4
57.03428	0.5
61.02913	0.6
66.94062	0.5
69.03438	3.0
70.06579	0.4
71.17696	0.9
73.02903	0.6
75.98246	0.4
81.03403	2.0
81.07047	0.5
82.78325	0.4
85.02906	4.5
85.06334	0.4
87.00806	1.5
91.05459	1.0
95.04946	0.4
97.02888	1.9
105.01839	1.5
105.07026	1.2
107.04939	1.1
109.02876	1.9
115.03889	0.6
115.05375	1.0
115.48335	0.4
117.07007	0.9
119.08556	0.5
127.03919	3.1
128.06235	1.8
129.07002	4.5
131.08574	6.5
133.06454	0.6
133.10056	0.5
141.06947	2.7
142.07745	0.6
143.08566	1.2
144.05742	2.3
144.89830	0.5
145.04967	1.1
145.06462	2.8
145.10103	0.5
146.07228	1.0
147.04362	0.6
153.07005	0.6
157.06479	2.3
158.07359	0.9
159.02875	0.8
159.06839	0.8
159.08066	12.8
161.05966	1.1
161.09593	2.9
165.99400	0.4
167.06998	1.4
169.06432	0.8
169.07700	1.0
170.07266	1.7
171.08014	2.4
172.05223	1.0
173.05966	1.6
173.09621	1.0
174.06763	0.8
175.07535	1.0
178.06247	0.5
181.08673	0.7
185.05975	0.7
187.07550	9.7
189.05489	0.8
189.09126	4.4
190.06259	0.5
191.07057	0.9
193.08633	0.7
197.89880	0.6
198.06703	0.7
199.07489	1.0
201.09106	1.8
203.07025	2.1
204.07834	4.8
205.08617	1.8
206.09171	0.6
207.10252	0.6
216.07877	1.5
217.08591	1.0
218.09471	0.5
219.10158	3.4
221.08009	0.6
221.11723	2.0
231.10144	2.8
233.09531	0.7
233.11743	8.2
237.11153	0.5
249.11227	100.0
250.11546	1.9
251.12781	3.0
267.12308	3.3
385.16431	0.5
497.16650	2.0
650.24872	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	7.1
55.05508	34.1
57.03438	11.0
57.07074	41.9
59.86472	7.4
64.18903	7.6
67.05498	36.6
69.03418	16.0
69.07061	11.8
71.04983	8.9
71.08620	22.1
71.58865	13.4
79.05482	16.0
81.03412	70.0
81.07045	39.3
83.04993	100.0
83.08622	23.2
85.10161	18.1
91.05471	22.0
92.03342	7.8
93.07037	16.8
95.04970	14.2
95.08607	32.2
96.31695	7.0
100.85429	8.0
101.52128	8.0
105.07054	21.1
107.08613	7.5
109.02850	11.3
109.10149	15.8
111.04459	20.3
119.08601	16.9
124.93906	7.3
127.03899	16.0
129.05490	38.2
131.08638	9.0
147.11720	15.4
153.12769	12.0
165.12730	7.8
175.11281	8.6
193.12311	25.8
211.13269	40.8
227.12834	16.4
229.14340	14.0
239.23882	9.0
285.17010	12.1
313.27435	51.3
452.36700	8.4
505.38834	8.5
523.39716	54.8
667.44366	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	685.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.2
55.05499	18.4
58.47087	4.7
67.05508	37.7
69.07055	14.4
71.59191	6.0
79.05492	27.8
81.07055	37.4
83.08618	12.8
83.84837	4.5
91.05467	31.2
93.07050	28.8
95.04983	8.2
95.05827	4.1
95.08619	24.3
98.98470	61.8
105.07053	27.7
107.08575	12.8
109.10183	6.5
117.06988	16.8
119.08566	19.1
121.10139	10.4
128.06201	9.1
129.06996	19.0
131.08571	14.3
133.10065	12.6
135.11682	4.6
141.07001	11.2
143.08572	19.6
145.10123	19.0
153.06931	5.4
155.01048	7.9
155.08568	23.3
157.10101	13.5
159.11687	10.4
167.08582	16.7
169.10150	18.6
171.11684	13.8
173.13304	5.6
179.08592	11.8
181.10103	16.9
183.11676	17.7
191.08588	6.9
192.09311	7.1
193.10115	28.3
194.10834	5.6
195.11687	24.3
197.13220	12.7
204.09323	5.3
205.10143	17.6
206.10866	6.0
207.11697	24.7
209.13213	24.4
211.14833	9.3
217.10156	11.3
219.11681	18.4
221.13220	23.1
222.14117	5.4
223.14751	11.7
231.11722	11.1
233.13281	19.9
235.14795	17.5
237.16319	12.0
245.13249	11.2
247.14796	16.5
249.16338	8.7
251.17892	5.0
257.13437	5.7
257.18951	9.8
259.14960	7.8
261.16373	6.3
263.18005	9.2
267.17429	4.8
273.16260	6.3
274.73633	5.0
275.17950	9.2
277.19437	7.8
284.67361	4.8
287.17889	7.6
317.22723	5.7
495.36032	6.5
513.37256	24.9
531.37970	9.5
569.38977	11.7
587.40887	100.0
605.41956	10.0
667.38068	8.1
685.38654	73.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55729	2.2
51.61824	2.0
53.03943	4.3
53.68007	2.2
55.05506	11.4
57.03445	5.2
67.05501	31.4
69.07071	7.7
79.05494	48.9
81.03422	8.0
81.07049	25.5
83.04982	13.1
83.08607	4.4
91.05473	39.3
93.07047	49.6
95.04970	9.9
95.08607	18.5
97.02908	3.1
97.06480	3.6
97.10196	3.6
98.20785	6.1
105.07015	23.8
107.04942	5.0
107.08598	12.7
109.06533	4.5
109.10149	2.9
117.07032	4.5
119.08592	18.3
121.06516	3.2
129.06987	12.5
133.10126	7.0
143.08566	8.4
145.10110	7.8
147.11681	20.2
161.09579	4.8
161.13309	6.0
163.11220	2.9
171.11671	16.8
189.12788	8.5
207.13768	20.7
229.30620	3.3
281.17459	43.0
487.30566	100.0
488.30722	8.4
684.38336	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	683.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.1
58.84821	0.7
58.99848	1.9
60.64116	0.8
67.05493	1.5
71.58680	1.9
77.00903	12.4
79.05441	1.1
81.07030	1.6
83.08600	2.1
85.02895	1.2
95.01936	8.5
95.08650	0.8
97.10170	0.9
107.08601	1.0
173.06569	1.3
183.08516	1.0
187.08087	2.5
197.10294	3.6
201.09697	5.5
203.11176	1.0
205.09097	2.2
207.12384	1.6
209.10187	1.1
213.09720	8.7
215.09264	2.0
215.11288	28.4
219.10767	3.5
220.11862	1.2
223.11806	2.1
225.13342	3.7
227.11279	5.6
231.10777	14.7
233.12303	12.2
235.11673	4.4
238.12849	1.4
239.11336	2.9
241.09167	3.7
241.12794	6.6
242.09903	1.5
243.14395	28.1
245.12369	2.4
253.12837	29.9
253.40179	0.9
254.12645	1.0
255.14355	2.0
257.12201	1.8
259.14047	1.0
261.15454	7.9
265.12839	1.2
266.15921	2.1
271.13876	40.1
276.14368	3.9
294.15405	2.2
317.19608	11.5
335.20648	54.9
336.20819	1.7
353.21713	79.6
354.21851	1.3
358.22247	4.1
371.22766	100.0
372.22729	1.4
376.23459	2.4
394.24350	15.0
565.36279	2.1
632.88647	0.9
665.43982	2.0
683.45844	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	683.449
Annotation	Phepropeptin A
Peak:m/z	Relative Intensity
54.30688	1.3
60.66462	1.4
67.03491	1.3
67.05512	4.1
79.05499	4.0
81.07059	3.1
91.05486	2.6
93.07053	4.1
95.08628	3.9
98.20721	3.0
105.07035	3.4
119.08585	2.5
133.10187	2.5
141.54308	1.5
333.20358	11.2
373.23557	1.8
389.22842	7.7
407.83548	1.7
548.29504	1.5
629.69781	1.6
683.44983	100.0
684.45587	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	683.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43782	0.8
55.01857	0.6
58.31299	0.6
65.03920	0.7
65.22948	0.7
67.05498	1.1
69.07057	1.8
70.06642	3.6
79.05479	0.9
81.07047	1.2
82.33318	0.6
85.02914	0.7
91.05463	4.9
93.07028	6.2
94.06553	2.7
95.04967	2.5
95.08592	1.7
107.08563	0.9
108.08124	1.4
109.06516	1.4
110.06001	1.0
111.08105	5.1
117.07037	1.7
119.17218	0.6
120.08096	1.1
121.06527	1.3
122.06019	3.8
124.07677	0.7
132.08070	1.2
134.06004	0.6
134.09682	4.2
135.08044	2.5
136.06627	1.1
136.07574	9.7
137.05963	1.9
138.09122	0.6
140.07043	3.4
144.08092	0.7
145.06375	0.8
147.06847	0.7
150.09158	2.5
152.10698	2.9
154.08617	8.1
160.07581	1.4
162.09134	31.0
163.07533	1.6
164.07106	2.1
171.09216	1.7
173.10791	4.0
173.12086	0.6
174.09140	1.8
174.26761	0.6
176.10732	0.7
178.08627	1.4
180.10188	27.0
190.08633	3.4
197.10704	0.9
199.08659	2.1
200.07118	0.8
201.10260	2.7
202.08688	0.9
208.09677	68.3
209.10371	1.0
213.10190	4.4
215.08141	5.0
215.11752	1.3
218.08200	0.9
220.09715	1.9
225.10234	1.7
226.08694	0.7
227.08138	7.5
228.08879	1.5
229.09726	0.7
240.08960	0.8
241.09711	8.7
242.10336	0.7
243.11275	9.3
245.09138	3.0
246.07643	1.5
249.10205	0.8
253.09880	1.5
257.09372	0.9
259.10773	9.1
264.08643	1.8
265.09671	1.2
267.11255	1.8
269.09219	8.0
277.74802	0.6
279.11307	1.0
281.09317	1.8
285.08844	1.0
285.12216	1.2
286.09378	1.2
287.10245	69.8
288.10641	1.4
293.09268	1.1
295.10812	2.7
305.11356	0.9
307.10635	0.6
309.12314	1.0
311.10074	0.8
313.11813	1.4
319.12939	5.6
323.25784	0.7
325.11642	1.3
335.10907	0.6
337.11807	2.3
339.09747	1.4
341.11353	1.7
353.11435	4.4
355.13049	1.2
401.30768	0.8
416.16107	0.8
430.17691	0.7
458.17300	0.9
476.18161	1.5
494.19226	48.9
495.19452	1.4
512.20294	13.7
526.21826	100.0
527.22321	3.9
554.18829	0.7
615.24359	0.8
633.25568	0.9
651.27362	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.01863	0.8
55.05506	1.3
57.03430	1.4
61.02929	3.0
67.05501	4.4
69.03429	2.2
69.07061	1.2
70.25726	1.2
71.04996	0.9
73.02916	2.7
79.05505	2.8
81.03420	3.1
81.07061	5.6
83.04989	1.0
83.08621	1.2
85.02908	4.7
85.06584	0.4
91.03959	2.8
91.05471	2.7
93.07043	4.0
95.04977	1.4
95.08598	1.6
97.02887	3.1
97.06517	0.7
97.10191	0.4
99.04482	0.8
101.02375	1.5
103.03946	0.4
104.06174	0.3
105.07031	1.6
107.04924	0.3
107.08566	2.5
109.02874	0.6
109.06522	0.5
109.10172	0.5
111.04478	0.4
111.08101	0.7
111.89481	0.3
117.07071	0.9
119.08615	1.2
121.10172	1.5
127.03953	1.4
129.06975	0.6
131.08598	1.3
132.38863	0.3
133.10168	0.7
135.11696	0.4
147.08072	0.4
147.11703	0.9
149.09644	0.6
149.13293	2.4
157.10182	0.7
159.11748	1.1
185.04256	0.5
193.12274	0.6
195.14005	0.8
211.13330	0.6
235.13130	0.7
243.08328	2.2
251.12636	1.2
269.17798	0.5
453.20959	10.3
469.20447	5.2
605.12799	0.3
681.34534	100.0
682.35284	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1658
Annotation	Kaempferol 3-(6G-malonylneohesperidoside)
Peak:m/z	Relative Intensity
53.03942	0.9
55.01867	1.0
56.96562	0.1
57.03446	0.6
61.02930	0.7
62.33133	0.1
65.03948	0.1
68.99788	0.9
69.03428	3.9
69.66948	0.3
69.67361	0.6
71.04993	0.9
73.02913	0.7
79.05513	0.2
81.03414	4.6
85.02905	7.7
87.00826	3.0
87.04485	0.2
91.03936	0.2
97.02891	3.0
99.04452	1.6
105.01862	1.8
107.04916	0.3
109.02879	3.8
111.00826	0.7
111.04429	0.2
117.01863	0.6
121.02860	2.1
127.03910	5.2
129.01837	0.5
129.05450	0.2
131.97606	0.1
133.02835	0.4
135.04411	0.2
137.02345	0.6
145.04951	1.6
147.02872	0.4
147.04333	0.3
153.01822	2.8
157.06456	0.2
159.02890	2.4
165.01814	1.0
169.24109	0.1
183.02858	0.8
185.05927	0.3
189.05495	0.2
211.97699	0.1
213.03749	0.1
213.05563	0.9
231.04605	0.6
231.06714	0.4
241.04965	0.7
258.05240	0.9
259.06134	0.3
271.76639	0.1
283.05750	0.1
287.05484	100.0
288.05823	1.9
295.06009	0.2
307.06165	0.2
313.07040	0.2
315.13156	0.1
325.06934	0.3
329.06583	0.4
337.07025	0.3
379.08023	0.2
391.07947	0.1
431.84122	0.1
433.11292	5.0
457.11066	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	681.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.01854	0.9
57.03422	0.6
58.54015	0.2
61.02931	0.5
67.56231	0.2
67.78699	0.2
68.99776	0.7
69.03429	3.6
71.04981	1.3
71.57810	0.4
73.02897	1.0
79.18008	0.2
81.02933	0.2
81.03416	5.2
85.02905	7.2
87.00823	3.1
87.04447	0.2
97.02894	2.8
99.04452	1.6
105.01873	2.1
105.03370	0.2
107.04942	0.3
109.02870	4.2
111.00777	0.6
115.03952	0.2
117.01843	0.8
121.02843	1.6
122.97985	0.2
127.03912	5.6
129.01813	0.7
129.68524	0.3
133.02885	0.5
137.02359	0.3
137.05913	0.5
145.04938	2.1
147.02762	0.3
147.04395	0.4
147.91663	0.2
153.01828	2.5
153.98827	0.2
156.28535	0.2
157.06410	0.3
159.02898	2.2
161.05978	0.2
165.01807	1.3
171.02776	0.3
177.03897	0.3
183.02960	0.4
184.36957	0.2
213.05408	0.7
231.04895	0.8
241.04921	0.6
258.05270	0.6
259.10672	0.4
271.06210	0.2
283.38007	0.2
287.05478	100.0
288.05817	2.0
301.11670	0.4
311.04907	0.2
315.13452	1.5
319.12991	0.5
329.06693	0.5
433.11304	5.3
621.83252	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97309	0.1
61.90462	0.1
69.03431	0.3
69.57607	0.8
81.03401	0.1
85.02912	0.2
87.00838	0.1
89.03967	0.1
97.02900	0.4
100.11284	0.2
109.02867	0.1
123.00807	0.2
132.05711	0.6
133.06497	0.4
135.04413	0.2
137.05998	0.5
139.03900	0.1
144.02074	0.1
147.04405	0.1
151.03946	0.1
152.01060	0.1
153.01807	0.2
153.06953	0.1
163.03889	0.2
165.06956	0.1
167.03392	0.5
168.05733	0.3
169.01384	0.2
172.82137	0.1
175.03947	0.1
182.07256	0.7
182.15454	0.1
183.08037	1.1
184.03664	2.6
185.05981	0.2
196.05209	0.6
197.05923	0.5
200.08344	0.4
201.75426	0.1
210.06819	0.5
211.07526	1.4
213.05429	0.5
224.04698	0.3
225.05591	0.2
227.07071	1.2
228.07750	0.8
238.06140	0.1
239.07024	2.8
240.07597	0.2
241.05066	0.8
243.10158	4.1
244.10748	0.2
253.04895	0.1
255.06638	0.7
256.07303	6.3
257.07578	0.3
267.06577	0.7
268.07108	0.2
269.04434	0.2
269.07874	0.1
270.10040	0.1
271.09650	0.1
283.05997	1.4
284.06790	15.9
285.07172	0.4
299.09128	100.0
300.09476	2.2
666.56738	0.1
679.50476	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90105	10.6
52.95200	13.2
70.09808	69.1
91.88718	13.6
141.36829	11.3
176.57034	13.4
459.21713	45.7
475.20959	42.3
535.23627	24.4
547.26636	20.3
552.62799	14.9
561.24774	22.6
593.23706	20.2
606.28381	100.0
621.26947	27.6
622.27502	60.5
627.25055	16.1
638.26526	26.6
678.29163	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	678.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.8
55.01869	10.4
55.05503	2.2
57.03432	5.6
61.02916	5.4
68.99789	3.9
69.03431	39.3
69.52237	1.6
69.52536	16.3
71.01327	2.0
71.04970	3.6
73.02905	7.4
81.03414	41.7
83.01303	3.0
85.02901	98.9
87.00831	39.0
91.03966	2.1
93.07038	2.3
95.04971	3.1
95.80322	2.0
97.02892	46.8
98.20773	3.6
99.04462	19.4
101.02382	1.8
103.03893	2.1
105.01860	44.2
108.04469	2.4
109.02879	61.9
111.04427	4.2
117.01847	5.6
123.04426	3.9
127.03913	100.0
128.60225	1.9
129.01830	6.5
137.05995	5.7
145.04944	31.2
147.02892	3.1
153.01852	4.9
159.02898	25.2
159.11600	1.7
161.05916	2.0
169.04941	4.9
184.07312	2.5
187.06088	2.7
189.03957	6.9
189.05501	3.2
189.09134	7.8
189.75049	1.7
193.04956	2.8
213.03952	14.8
217.04893	2.4
219.50578	1.9
231.04996	27.5
231.10220	5.3
235.05978	2.7
248.07629	2.6
249.05952	4.8
255.10237	2.1
273.06061	20.0
273.11264	5.7
339.07111	5.1
357.08136	2.5
443.07724	2.0
449.93585	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69543	2.3
53.03930	5.7
55.05514	16.3
57.01286	2.3
57.03431	9.9
57.07068	3.4
57.67876	2.4
61.02921	21.9
65.03943	5.1
67.05505	87.5
69.03422	6.6
69.07068	17.2
69.40333	18.4
69.40746	6.3
69.83931	2.4
71.04996	4.7
71.08624	3.1
73.02896	9.6
73.09469	2.4
79.05489	57.1
81.03420	5.0
81.07053	98.8
83.04996	2.6
83.08623	9.7
85.02895	22.4
85.06528	4.0
91.03958	19.7
91.05482	31.3
93.07039	68.3
93.34387	2.7
95.04961	8.2
95.08601	71.9
97.02870	12.5
97.06535	5.9
97.10152	4.3
98.21575	4.2
99.08048	3.0
103.17460	2.3
104.85152	2.5
105.07028	22.6
107.08586	40.4
109.06535	3.8
109.10157	32.5
111.79491	2.6
117.07005	10.5
119.08592	19.4
121.10142	33.3
121.10941	4.1
123.11689	19.1
127.03912	4.0
131.08553	21.8
133.10121	16.3
135.11684	30.5
137.09569	2.2
137.13231	6.7
145.04961	7.8
145.10106	17.3
147.11688	13.0
149.13245	21.1
159.11668	15.2
161.13301	8.1
163.05992	10.2
163.14815	15.8
165.12801	2.5
173.13277	15.2
177.16385	5.4
179.14366	4.2
185.13187	2.5
187.14821	9.5
189.16377	2.7
230.42570	2.7
233.22664	4.9
236.30885	2.9
243.21066	28.8
255.67755	2.3
261.22144	89.8
263.23773	2.8
267.53973	2.4
279.23148	3.9
335.25787	37.5
353.26837	26.7
453.20999	8.6
465.20944	8.7
497.31308	6.0
643.95929	2.9
677.34991	100.0
678.34930	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	677.374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	13.1
57.03428	4.4
57.07052	3.8
59.92624	2.6
61.02924	28.7
62.57425	2.7
65.03928	6.7
67.05177	5.0
67.05505	79.4
69.03406	3.5
69.07072	15.9
71.04971	5.4
73.02918	7.8
79.05069	3.7
79.05494	52.4
81.03400	5.4
81.06586	4.7
81.07054	83.9
83.04976	4.3
83.08611	10.3
85.02905	29.6
85.06494	2.6
85.49265	3.0
90.61233	3.2
91.03957	25.3
91.05480	36.0
93.06478	3.7
93.07047	52.5
95.04928	6.1
95.08604	59.5
97.02872	14.7
97.10152	4.2
99.08110	3.9
103.98742	2.8
105.07046	19.5
107.08591	36.0
109.06551	3.2
109.10162	38.6
111.08103	3.4
117.06992	9.5
119.08561	18.2
121.10139	42.8
123.11697	21.3
127.03908	10.5
129.07071	3.5
131.08577	21.3
133.10135	15.1
135.11682	29.6
145.04970	13.5
145.10144	19.0
147.11659	14.8
149.13269	24.8
159.11668	13.8
161.13223	11.5
163.06033	18.1
163.14885	21.4
173.13245	18.0
175.14803	4.5
177.16360	4.1
179.14337	3.9
187.14804	8.9
189.16405	3.4
201.16412	3.7
229.27942	4.9
233.22624	6.3
243.21049	40.4
258.18463	4.0
261.22153	100.0
278.45154	3.4
335.25720	19.5
353.26807	30.8
414.29520	3.0
448.27271	3.6
524.15466	3.0
677.34827	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	677.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.0
56.20955	0.8
57.07073	1.1
58.38392	0.7
58.70849	0.7
67.05506	1.4
69.03442	0.8
70.06593	1.3
71.22282	0.7
71.59397	1.6
79.05507	2.6
81.07060	2.3
83.05004	0.9
89.01414	0.8
91.05486	1.4
92.50258	0.8
93.07074	0.8
95.08637	0.9
97.02949	1.1
119.08580	1.2
149.02411	1.4
193.05025	2.2
203.05325	1.4
222.70041	0.8
256.26389	2.7
293.72452	0.8
303.13873	0.8
347.09262	1.0
365.10498	2.2
380.18643	0.9
473.72113	0.8
485.29797	0.9
515.31799	16.7
515.38708	1.3
677.37158	100.0
677.55652	3.4
678.37445	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	677.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05484	0.9
70.39278	0.5
71.58311	0.7
71.58810	1.1
73.95004	0.7
74.54696	0.6
81.07068	1.1
86.59521	0.7
126.74443	0.6
163.71098	0.7
256.26480	0.9
333.24820	0.7
347.09506	1.2
494.94040	0.6
515.31879	22.3
516.32562	0.9
591.40332	0.7
677.37170	100.0
678.37140	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	677.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
55.05496	2.3
55.06613	0.4
57.03430	1.5
57.46608	0.4
61.02925	4.4
65.03946	0.4
67.05168	0.7
67.05502	8.5
69.03424	2.9
69.07055	2.4
69.71143	1.6
69.71555	0.9
73.02912	2.9
79.05058	0.6
79.05490	7.3
79.05917	0.8
81.03407	2.1
81.07057	10.7
83.04966	0.8
83.08610	1.5
85.02908	4.4
87.04457	0.5
91.03951	3.5
91.05466	4.0
93.07043	8.0
95.04967	1.8
95.08600	5.3
97.02890	4.5
97.06536	0.7
98.43443	0.4
99.04438	0.7
101.02375	1.0
105.07030	2.4
107.08604	4.3
107.59545	0.4
109.02882	0.6
109.06506	0.5
109.10161	2.7
111.08092	0.6
117.07040	1.4
119.08569	2.5
121.10120	3.1
123.11700	1.1
127.03916	1.1
129.07040	0.9
131.08586	1.5
133.10147	1.4
135.11716	1.9
145.04971	0.6
145.10156	1.2
147.11687	1.9
149.13245	2.8
159.11705	1.5
161.13269	1.1
163.14748	0.4
168.91127	0.4
171.11690	1.2
173.13284	0.7
175.14850	0.4
177.16348	0.5
185.04398	0.6
187.14795	0.4
189.12842	0.5
235.13097	1.0
243.08434	1.6
243.21107	1.2
247.13110	1.3
261.22156	4.1
265.12735	0.5
269.17493	0.6
283.13971	0.8
335.25891	1.8
353.26877	0.8
375.41840	0.4
400.36694	0.4
453.20938	7.9
465.21011	8.6
497.30356	0.5
515.32214	0.8
677.35016	100.0
678.35254	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96577	11.7
60.18296	6.4
61.90226	5.9
70.28545	16.6
70.28931	11.2
98.97623	8.2
102.80511	6.4
105.32037	5.8
115.02525	5.5
116.98656	11.4
119.01923	32.3
127.23487	6.7
131.01927	16.9
133.03493	27.7
135.04443	7.6
137.02943	7.8
143.01894	19.8
146.99623	12.3
155.01918	14.3
157.03435	11.1
159.05089	7.9
161.02983	26.2
163.03836	46.3
171.05066	22.9
173.02972	26.1
177.05493	14.7
185.02928	17.0
189.00839	7.8
189.06087	9.4
197.03076	12.8
201.00696	11.6
201.06126	11.5
203.04002	11.8
209.72142	7.1
219.01665	12.1
219.07187	20.1
221.02968	42.3
221.05098	30.8
231.07127	23.7
237.02745	10.1
239.02025	7.5
239.04143	22.9
245.02896	10.9
245.05086	69.2
257.03043	9.4
259.06503	9.3
261.02786	19.5
261.08353	8.9
263.04019	25.6
273.08200	8.9
281.05219	31.8
291.09149	8.7
299.06180	6.2
321.04855	9.9
321.10321	100.0
323.06149	20.7
333.64706	6.6
335.08264	14.5
351.11432	24.4
365.07327	22.6
383.08255	27.1
484.57767	6.4
485.14883	10.9
513.12793	8.1
545.12244	20.5
659.16327	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	676.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.4
55.01857	3.7
55.05519	19.3
57.03436	16.5
61.02930	4.1
65.03948	2.6
67.05505	55.3
69.03413	4.4
69.07068	15.4
70.95156	3.7
70.95493	2.2
71.04974	5.9
79.05490	41.3
81.03417	56.9
81.07057	68.3
83.04974	16.5
83.08624	28.5
85.02901	20.9
85.06535	3.1
91.05479	38.4
93.07047	50.5
93.07628	3.4
95.04974	25.8
95.08610	20.9
97.02893	5.3
97.06523	8.1
97.10174	5.3
99.08086	3.3
105.07035	23.7
107.04940	3.9
107.08591	24.8
107.26863	2.2
109.06514	6.0
109.10164	4.1
111.08057	10.3
113.51734	2.0
116.57011	2.0
117.07021	5.7
119.08575	14.5
121.06512	3.9
121.10153	18.7
123.08099	2.1
123.11734	2.4
125.09583	2.3
129.07040	10.9
131.08585	14.4
133.06561	2.2
133.10098	12.0
135.11676	5.2
142.07802	2.5
145.10194	2.6
147.08051	3.8
147.11676	16.4
149.09599	8.4
149.13249	21.7
157.10075	11.1
159.11656	9.2
165.12798	3.4
175.11186	11.4
177.12753	4.6
193.12231	37.1
195.13809	8.3
211.13274	59.1
230.16920	2.0
257.72220	1.9
267.15918	37.1
269.17468	82.7
270.17844	2.4
271.74243	1.9
285.16949	43.2
336.63892	2.0
351.06021	2.0
435.27640	2.4
461.28979	71.2
462.29123	4.0
479.30032	100.0
480.30453	4.2
516.98578	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	676.39
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38519	1.1
53.03930	1.3
54.52311	1.1
55.01865	1.3
55.05518	8.8
57.03439	7.7
61.02920	3.1
67.05506	35.6
69.07065	14.8
71.04978	3.2
71.58809	1.7
73.02937	1.7
77.17575	1.1
79.05495	16.2
81.03419	2.2
81.07055	60.8
83.04994	6.0
83.08611	10.6
85.02889	1.9
85.06524	5.1
91.05476	17.4
93.06479	1.6
93.07043	28.7
95.04964	3.4
95.08612	15.8
97.02877	1.4
97.06534	7.5
97.10141	2.2
97.70888	1.0
99.08112	2.8
105.07021	18.1
107.08593	21.3
109.06509	4.7
109.10152	2.9
111.04435	1.7
111.08073	3.5
117.07018	3.5
119.08581	13.7
121.06522	1.3
121.10143	15.1
123.08028	2.5
123.11695	17.5
127.07588	1.4
131.08568	3.9
133.10101	3.6
135.11693	3.8
145.10156	1.5
147.11687	34.3
147.12808	2.5
149.13258	17.8
159.11674	5.6
165.12743	12.6
177.12756	3.8
195.13904	6.0
213.14838	3.2
219.79886	1.2
229.14369	4.2
267.15915	47.7
269.17477	57.6
270.17841	2.9
285.16971	26.6
339.37643	1.3
461.28647	2.0
479.30048	100.0
480.30389	4.6
676.26056	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	675.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.1
55.01850	4.6
55.05516	26.3
57.07075	9.7
61.02922	16.2
64.86182	3.9
65.03926	6.1
67.05508	59.5
69.03430	21.0
69.07076	21.3
71.05005	11.4
71.59194	6.3
71.92270	4.1
73.02916	8.0
79.05499	45.8
81.03430	64.7
81.07061	52.7
83.04983	15.9
83.08624	10.4
85.02911	16.7
89.06004	5.0
91.03970	4.5
91.05484	42.8
93.07045	50.1
95.04982	11.9
95.08605	31.7
97.02901	18.5
97.06541	8.2
97.10142	5.2
99.04492	7.2
105.07046	39.7
107.08572	29.8
109.02850	7.3
109.06563	4.9
109.10165	21.8
111.08046	4.8
117.07023	16.8
119.08596	21.9
121.10149	16.0
123.08085	5.0
127.03932	17.6
128.06213	6.4
129.07005	16.1
131.08562	30.9
133.10126	24.6
135.11676	14.8
141.07019	4.9
142.07764	7.9
143.08563	18.8
145.10112	22.5
147.11740	12.5
149.13266	5.5
155.08606	16.1
157.10141	14.8
159.11676	24.3
161.02812	3.9
163.11195	5.4
169.10132	12.7
171.11682	18.6
173.04456	24.2
173.13298	8.0
177.07286	4.8
181.10170	11.5
183.11752	11.9
185.13171	9.1
195.11777	8.2
197.13232	9.9
199.14952	6.1
227.20094	17.0
241.19592	4.6
255.15892	6.5
259.20380	6.0
275.20056	6.8
325.22037	6.0
351.23328	5.4
367.22833	5.5
403.30231	5.8
421.30890	10.2
439.32242	6.0
495.34790	6.2
513.29022	7.7
513.35895	100.0
514.35724	7.3
531.36792	11.7
564.81793	5.3
584.45587	5.2
657.40881	6.5
670.67761	5.5
675.41132	44.8
676.41113	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	675.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.0
53.41823	6.8
55.05505	11.5
57.03445	9.3
60.76591	6.4
61.02920	10.8
67.05507	52.1
69.03426	16.0
69.07059	16.0
71.05002	12.5
73.02917	11.5
78.81641	6.1
79.05503	47.1
81.03410	21.8
81.07072	86.7
83.04988	10.0
83.08618	14.1
85.02901	33.4
86.09703	23.6
91.03934	9.9
91.04999	9.6
91.05463	53.1
93.07053	62.6
95.04970	19.8
95.08601	28.4
97.02918	18.9
97.06534	12.1
98.20667	14.2
105.07024	53.2
107.08604	32.3
109.10185	16.9
117.07020	9.7
119.08559	38.7
121.10145	24.0
123.11691	11.1
129.06999	8.5
131.08554	21.3
133.10124	32.1
135.11685	21.2
145.10129	16.5
147.08127	7.9
147.11722	42.4
148.07588	9.9
149.13257	11.9
151.11171	7.4
157.10117	15.2
159.11647	16.9
161.13260	15.3
163.11053	7.7
165.12747	8.7
169.10132	7.5
173.13271	12.1
175.14871	9.6
181.39191	7.2
184.07343	40.2
241.19498	14.8
256.45486	8.6
259.20599	32.0
267.15979	29.8
268.16275	7.3
285.17044	24.6
333.23938	11.1
351.25272	100.0
459.27618	9.5
469.33752	8.1
477.28601	13.1
478.28763	11.8
495.29300	14.8
675.37665	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59222	1.5
55.05505	2.1
67.05494	4.0
70.32394	1.4
71.58744	2.0
79.05493	3.0
81.07065	3.6
83.08611	1.7
91.05484	2.0
93.07028	3.3
95.08583	1.8
98.97594	1.7
99.37211	1.6
121.65099	1.5
133.28041	1.6
134.99693	3.1
139.78969	1.6
144.05710	1.9
163.19331	1.5
227.13448	1.9
259.20645	1.6
277.21683	4.1
286.51248	1.8
384.22943	1.9
430.16013	1.7
457.14700	2.3
469.14395	2.6
471.16229	3.5
480.14377	3.6
483.16666	3.3
485.18405	3.0
495.16653	9.8
496.17145	4.4
497.18286	11.4
513.17798	2.9
515.20306	1.8
555.18823	8.0
573.22583	2.5
617.22559	3.0
643.24072	4.8
645.22168	2.4
660.24231	2.5
675.26550	100.0
676.27136	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	675.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	1.3
70.65362	2.7
70.65722	0.9
79.05494	1.1
81.07064	1.9
91.05495	1.2
93.07023	1.6
95.08544	1.4
107.08609	1.2
116.95554	1.0
138.13179	0.9
148.00902	0.9
154.06406	0.8
161.13239	1.0
227.13255	1.0
240.83768	0.9
455.17471	1.1
467.13489	1.9
468.14493	2.5
469.14679	7.8
470.15866	2.6
480.13913	0.9
481.14969	2.1
482.15833	11.7
483.16602	11.4
484.17252	1.7
495.16669	4.3
496.17465	6.1
497.10944	2.1
497.18179	40.3
498.18658	6.8
510.19064	2.8
511.19788	6.6
512.20776	2.1
515.19427	4.3
528.16687	1.8
541.17419	1.5
542.18262	2.8
555.18951	2.6
556.19916	2.1
557.20636	3.2
616.21698	1.2
639.30554	1.1
643.24127	7.6
644.24518	7.3
657.25525	6.3
675.26593	100.0
676.26685	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	674.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.5
57.07076	35.8
65.33310	2.3
68.64845	2.2
69.07067	2.9
70.83964	6.6
70.96465	2.1
71.08634	24.5
73.06558	12.0
81.07044	3.5
85.10189	22.7
87.04475	11.4
89.06031	100.0
97.10176	3.9
99.11701	4.1
107.07081	3.1
113.13292	2.7
117.09148	6.0
125.00042	2.8
128.68690	2.0
130.08640	4.0
131.07030	3.4
133.08609	65.7
133.09615	3.2
133.38568	2.3
155.17934	9.7
158.84401	2.2
161.11606	2.6
170.02725	2.2
177.11191	19.4
199.20595	3.7
211.21754	2.5
221.13879	4.6
231.33043	2.0
234.29793	2.1
243.23161	5.5
443.19824	2.4
597.45691	2.5
606.38898	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	674.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99478	1.4
53.03195	1.8
53.03927	4.1
55.01865	1.9
55.05515	12.6
57.03441	14.6
61.02916	3.9
67.05508	21.1
69.03423	4.4
69.07067	4.2
69.25910	1.4
69.52396	13.1
70.06573	1.6
71.05007	2.9
72.03680	1.3
79.05492	21.5
79.07590	1.6
81.03416	82.2
81.07053	24.2
83.04985	11.7
83.08612	23.7
85.02905	16.1
85.06541	1.7
88.07629	2.3
91.05482	26.9
93.07059	11.6
94.69120	1.3
95.04971	30.4
95.08598	6.8
97.02884	4.6
97.10168	6.7
102.09231	2.1
105.07034	19.4
107.04946	7.8
107.08624	6.8
109.06515	4.2
109.10153	3.9
111.04440	3.2
111.08087	10.8
115.05437	2.9
117.07022	2.6
119.08578	15.3
121.06510	3.0
121.10137	7.6
121.10960	1.4
123.08051	3.6
123.11697	1.7
125.09581	2.3
125.23631	1.4
129.07016	13.2
131.08571	12.8
133.06497	5.5
133.10135	9.1
137.09633	2.4
142.07794	2.4
143.08572	1.5
145.06499	3.6
147.08043	2.1
147.11703	13.5
149.02371	2.3
149.09610	7.4
157.10118	13.0
163.11238	3.1
165.12755	2.4
171.08029	1.8
175.11180	11.9
193.04980	4.0
193.12233	35.3
197.13274	1.4
211.13300	27.6
223.11240	1.9
223.13319	1.5
228.23166	3.0
249.14833	4.0
267.15918	100.0
268.16406	2.1
273.14819	4.9
285.16974	27.8
349.21564	6.4
367.22714	13.9
385.09012	1.9
385.23676	13.1
403.24829	4.2
405.24072	1.6
415.25015	2.1
433.25903	13.7
441.26276	4.2
459.27402	48.9
472.82092	1.4
477.28427	34.7
519.29657	1.8
674.35162	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	674.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.0
54.73827	0.9
55.01862	2.7
55.05510	12.0
57.03182	1.3
57.03439	13.4
61.02916	3.5
65.03926	2.2
67.05502	19.8
69.03419	3.8
69.07076	4.6
70.06586	1.6
70.33157	3.5
71.04985	3.6
79.05058	1.5
79.05493	19.8
81.03417	80.1
81.07056	19.3
83.04977	9.9
83.08622	17.8
85.02900	13.8
88.07604	1.1
91.03956	1.6
91.05481	23.4
93.07049	12.1
95.04971	25.5
95.08601	6.8
97.02882	5.7
97.06524	1.8
97.10183	4.7
97.78569	0.9
105.07029	17.3
107.04949	6.2
107.08575	6.3
109.06506	3.7
109.10165	3.1
111.04428	2.2
111.08073	9.2
115.05432	1.1
117.07044	2.3
119.08578	14.1
120.02744	0.9
121.06493	3.6
121.10130	6.0
123.08054	2.4
123.11684	1.2
125.09639	2.3
129.07011	11.9
131.08568	13.0
133.06494	3.6
133.10150	7.9
135.11681	1.4
137.06006	1.0
137.09586	2.1
141.06987	1.3
142.07764	2.8
145.06462	4.2
145.10126	2.8
147.08035	3.0
147.11684	9.8
149.02307	3.6
149.09589	4.9
157.06517	1.4
157.10133	12.0
163.11166	1.8
165.12721	2.8
169.10110	1.2
173.09651	1.3
175.11232	12.3
193.04988	2.4
193.12239	30.6
211.13290	20.1
228.23207	1.8
233.15472	1.1
249.14854	1.9
255.13745	1.9
267.15915	100.0
268.16187	2.3
269.17477	1.4
272.25845	1.3
273.14828	3.5
283.15323	2.6
285.16974	19.4
288.57932	1.1
301.14352	1.7
309.13281	1.0
309.16959	1.5
339.23349	1.2
341.20981	1.2
349.21579	3.4
359.22031	1.2
367.22675	9.5
377.01645	0.9
383.24084	1.1
385.23706	9.6
403.09888	0.9
403.24753	4.9
415.24554	1.8
429.11893	1.5
433.25882	10.3
441.26324	3.6
459.27405	45.2
459.33881	2.2
460.27478	1.2
464.18283	1.0
477.28470	44.2
478.28540	2.0
519.29584	1.6
674.35626	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	674.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
54.58821	1.1
55.01864	4.1
55.05508	12.1
56.15451	1.0
57.03445	8.6
59.05017	1.5
61.02912	3.8
62.80560	1.0
63.41270	1.0
63.47934	1.0
67.05173	1.7
67.05507	22.2
69.03421	5.1
69.07069	6.5
70.75585	2.2
70.75963	1.6
71.01353	1.5
71.04975	3.4
73.02929	1.5
74.45097	1.2
79.05494	19.5
81.03419	34.9
81.07059	26.0
83.01339	1.8
83.04980	9.2
83.08620	16.9
85.02920	9.5
85.06538	2.7
91.03974	1.1
91.05479	19.2
93.07053	22.2
95.04970	17.2
95.08621	11.1
97.02892	6.2
97.06548	6.2
97.10161	6.8
99.04425	2.2
99.08101	1.6
99.85546	1.1
105.07043	12.4
107.04985	7.9
107.08604	11.6
109.02836	1.3
109.06522	5.3
109.10126	5.0
111.04453	4.4
111.08081	6.3
113.06030	1.5
117.07040	6.3
119.08583	12.0
121.06483	3.3
121.10150	9.3
123.04402	1.9
123.08057	4.2
123.11683	1.8
125.06000	1.5
125.09628	4.0
127.03920	2.1
129.06995	5.4
131.04971	1.8
131.08551	9.6
133.06465	2.4
133.10144	6.8
135.08084	2.0
135.11699	6.6
137.06007	1.3
137.09622	1.9
139.03833	1.3
142.07777	2.2
145.06483	1.4
145.10109	7.6
147.08014	4.0
147.11668	5.3
149.09624	4.0
149.13255	4.8
151.11176	1.6
153.09108	1.3
153.12727	2.9
155.08604	2.3
157.10103	4.6
159.11707	2.7
163.11191	8.8
165.12798	1.3
175.11206	5.4
177.12701	1.4
179.34761	1.0
181.12192	3.4
189.11234	2.9
191.10597	1.6
193.12231	13.8
195.13895	2.9
197.13205	1.1
209.11755	2.3
211.13298	8.5
213.12784	1.3
221.07985	1.2
227.12744	6.6
233.15398	1.4
267.15945	37.6
269.17529	12.2
271.01257	1.0
273.14841	2.6
283.15390	18.6
285.16934	7.7
349.21783	1.4
350.23718	1.2
367.22653	5.4
380.94983	1.1
385.23734	7.4
403.24689	5.1
421.25961	1.3
433.25803	5.2
441.26318	2.6
459.21149	2.0
459.27386	28.0
468.17569	1.3
477.28491	100.0
478.28839	2.0
495.29446	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	674.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52676	0.4
51.42497	0.4
54.03470	1.3
55.01863	0.8
55.04236	0.5
67.05510	0.7
68.99783	0.8
69.03439	0.6
69.58206	3.3
70.06590	100.0
71.06925	0.6
72.08154	0.4
79.05491	0.9
81.03436	0.9
88.97168	0.5
89.03918	0.7
91.05478	1.3
95.04963	1.1
101.25726	0.4
103.05475	0.5
107.04964	1.6
109.06512	0.8
119.04930	1.4
121.02887	0.5
123.04411	6.3
131.04942	1.0
135.04410	22.1
136.04855	0.6
137.05978	5.5
139.03900	6.8
147.04440	1.9
151.03885	2.4
153.01782	0.5
153.05482	1.4
159.04446	1.1
161.05966	1.5
163.03902	25.4
165.05478	15.3
165.06908	0.9
173.06026	0.8
175.03976	0.8
177.05495	2.1
179.03334	0.5
187.03874	3.3
189.05487	0.6
191.03391	0.5
193.04950	0.5
197.06029	0.6
201.05481	1.0
203.03630	0.5
203.07126	0.6
205.04918	2.0
213.05501	0.9
215.07034	0.9
229.04970	2.8
239.07059	0.7
241.04979	0.7
243.06570	1.1
255.06548	0.8
259.06165	0.8
267.06561	1.5
271.05920	3.6
281.08063	0.9
283.06076	2.3
285.07550	9.7
286.07950	0.5
289.07059	1.2
295.06128	2.5
297.07690	1.6
301.07111	3.0
309.07632	1.4
313.07019	4.2
315.08646	1.0
325.07123	4.1
327.08536	4.2
384.14450	2.3
411.10797	1.4
435.10678	0.6
447.10855	3.1
453.11649	1.3
465.11731	5.2
605.16418	0.9
617.16479	5.5
674.22217	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	672.5252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	31.1
61.77526	3.9
70.18938	17.8
71.08627	35.1
71.85861	3.6
73.06565	12.3
83.08614	4.7
85.10200	19.3
87.04451	6.0
89.06033	100.0
101.58438	3.6
102.08437	3.5
105.29229	4.6
107.07086	6.6
107.13962	3.8
117.09160	5.4
133.08607	53.9
147.34453	3.9
177.11198	22.8
221.13879	4.5
233.48564	3.8
238.94920	3.9
285.27783	4.5
512.96881	4.3
595.84949	4.3
655.50110	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	672.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32115	3.9
55.05503	6.1
57.03429	9.5
57.07080	37.6
61.02919	13.3
67.05505	15.7
69.07072	9.3
71.08636	26.3
71.59148	5.1
73.02924	4.1
81.07058	25.8
81.58936	3.3
83.08617	14.0
85.02906	17.6
85.10186	21.4
89.06004	3.3
91.03948	10.1
95.08604	24.7
97.02889	5.1
97.10165	6.6
109.10181	13.3
115.41492	3.2
123.11732	4.2
127.03869	4.2
163.06093	7.0
239.23718	29.0
257.24893	4.3
313.27359	100.0
331.28351	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	672.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
55.01870	4.6
55.05508	10.0
57.03424	4.6
57.07079	38.8
61.02924	12.9
61.03190	2.3
65.80010	2.2
67.05502	23.6
68.05819	2.4
68.40565	2.3
69.03465	3.1
69.07062	11.9
71.08630	31.5
73.02917	4.2
75.04457	2.7
79.05457	11.6
81.03415	7.1
81.07055	23.8
83.05014	2.8
83.08613	12.0
85.02901	20.4
85.10185	15.0
89.05993	2.8
91.03943	17.6
91.05468	12.0
92.05782	2.6
93.07054	9.8
95.04961	9.0
95.08606	27.2
97.02887	8.2
97.10174	8.3
105.07030	10.7
107.04990	2.3
107.08572	5.9
109.06532	2.7
109.10151	14.3
111.11715	2.7
116.47569	2.1
117.07007	3.7
119.08588	4.8
121.02973	2.5
123.11694	6.8
127.03872	4.1
131.08586	4.4
135.11743	2.9
145.04980	7.8
145.10110	3.2
163.06009	11.8
169.10126	2.6
219.52739	2.5
239.23672	26.7
257.24844	2.9
273.14890	3.0
313.27350	100.0
331.28387	33.8
357.01950	2.9
428.65634	2.7
480.05707	2.5
636.38959	4.1
654.64282	2.7
672.41278	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	672.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.01869	1.5
55.05507	8.3
57.03437	5.3
65.03914	1.1
67.05502	29.3
69.06770	0.8
69.07067	8.1
71.04996	1.4
79.05490	32.6
80.29334	0.7
81.03405	2.8
81.07054	31.4
83.04987	5.7
83.08605	5.6
85.02891	1.0
85.06529	1.4
91.03828	0.8
91.05480	21.3
93.07040	36.6
95.04971	7.9
95.08604	10.8
97.06510	3.5
97.10176	2.0
105.07025	15.3
107.04935	2.5
107.08594	13.4
109.06485	2.9
109.10135	2.7
111.08081	1.9
117.07021	4.8
119.08597	7.2
121.06484	1.1
121.10146	5.9
123.08038	2.3
129.07034	6.0
131.08533	2.6
133.10147	4.4
135.11679	3.6
140.53656	0.8
143.08546	3.7
145.10138	3.8
147.08043	1.2
147.11688	10.8
149.13258	7.9
150.95096	0.8
152.35541	0.9
159.11716	3.1
161.13232	3.3
171.11679	8.3
177.12755	2.0
178.09723	0.7
178.86172	0.9
189.12715	3.6
195.13773	2.7
207.13809	10.5
225.14876	1.6
269.17474	28.6
270.17847	1.0
281.17474	23.5
475.30548	100.0
476.30838	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	671.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	16.4
55.01863	9.9
55.05509	32.9
57.03427	12.9
67.05502	100.0
69.03412	15.9
69.07069	31.6
70.51999	19.3
71.04975	10.8
79.05486	94.8
81.03408	55.0
81.07050	89.4
83.04980	16.5
83.08604	20.9
85.02899	10.6
85.06535	9.6
91.05483	81.0
93.07041	82.9
95.04970	88.7
95.08597	51.2
97.02877	13.4
97.06483	10.6
97.10170	14.6
103.05452	6.2
103.58848	5.9
105.07030	61.9
107.04946	22.1
107.08595	38.6
109.02843	7.4
109.06502	18.7
109.10161	37.7
111.04430	15.1
115.05460	8.5
117.07001	31.9
119.08542	28.5
121.06485	24.2
121.10131	30.0
123.04425	7.3
125.05993	7.6
125.09615	11.0
128.06189	11.5
129.06989	17.0
131.04912	11.0
131.08592	34.5
133.06439	19.9
133.10107	22.1
135.04399	7.6
135.08038	11.6
135.11662	13.3
137.09587	6.9
141.06996	7.7
143.08542	20.0
145.06432	18.5
145.10118	25.8
147.04396	13.8
147.07991	12.6
147.11671	13.5
149.09523	8.7
149.13133	7.2
155.08517	13.6
157.06427	7.5
157.10101	16.3
159.08073	11.0
159.11674	21.1
161.05956	11.2
163.11159	15.5
165.06926	6.2
167.08594	9.9
169.10078	17.0
171.08130	9.7
171.11690	14.1
173.05942	11.1
173.09523	6.4
173.11781	9.3
173.13194	14.1
174.06660	10.1
175.11113	7.5
181.10074	8.9
183.08022	7.5
183.11685	8.7
185.09697	7.7
187.07481	8.8
187.11209	9.5
189.05528	8.5
189.11168	9.0
195.11739	7.1
197.13194	6.6
209.13318	9.2
223.13324	10.2
259.20749	5.3
273.14780	33.3
291.19598	8.2
301.14319	34.8
303.15915	18.7
319.15421	12.9
335.25931	13.6
471.30652	6.5
617.38226	8.5
635.39136	34.8
653.40399	28.1
671.31592	6.7
671.41522	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23370	3.4
52.25560	3.4
53.03946	13.3
55.01859	12.4
55.05518	34.3
57.03431	11.3
57.07070	4.7
65.03930	6.5
67.05506	100.0
69.03436	19.8
69.07060	31.8
70.31309	12.5
71.04982	9.8
79.05497	85.2
81.03420	50.4
81.07058	97.7
83.04993	17.5
83.08613	18.2
85.02895	10.4
85.06541	6.7
91.05483	88.3
93.07041	74.6
95.04964	66.1
95.08610	54.6
97.02879	9.9
97.06512	9.1
97.10146	10.3
98.21437	4.4
105.07033	70.7
107.04964	30.2
107.08578	45.5
109.02847	7.8
109.06522	10.7
109.10170	17.8
111.04431	11.6
111.08050	4.7
115.05445	10.3
117.07026	35.4
119.08587	48.7
121.06534	17.2
121.07426	3.3
121.10133	24.2
123.04450	9.2
123.08018	9.1
123.11709	7.9
125.09631	5.9
127.03869	4.8
128.06236	9.1
129.07010	28.6
131.04964	7.9
131.08583	39.8
133.06477	11.0
133.10114	31.6
135.04446	4.7
135.08072	10.3
135.11681	14.2
141.07007	6.0
142.07765	5.2
143.08559	18.7
145.06499	14.5
145.10126	30.9
147.04417	11.6
147.08032	10.9
147.11678	22.3
149.05934	8.8
149.09610	8.7
149.13249	7.0
155.08540	13.5
157.06522	8.7
157.10159	14.9
159.08072	12.0
159.11682	19.2
161.06033	5.9
161.09622	7.9
161.13229	5.1
163.11171	14.9
165.12793	6.6
167.08609	12.3
169.10121	18.0
171.08040	9.8
171.11717	15.4
173.05960	5.6
173.09651	5.8
173.13263	11.3
174.06703	7.7
175.07657	5.5
175.11180	7.8
177.12793	9.1
179.08611	5.1
181.10130	11.4
183.08041	5.7
183.11705	10.2
185.09569	7.2
185.13301	10.7
187.11218	6.5
189.05484	9.8
193.10025	5.8
193.12216	4.4
195.08086	4.9
195.11713	9.4
195.13750	3.8
197.09639	8.5
197.13351	8.2
199.11279	5.9
203.10655	5.4
205.12294	4.4
207.11717	5.2
209.09633	3.9
209.13304	10.4
211.11148	5.6
227.14404	4.9
241.19731	4.9
257.19055	8.5
259.20523	6.2
269.17523	8.1
271.13556	4.4
273.14749	21.7
301.14368	19.7
303.15814	8.3
319.15417	8.8
321.22073	5.7
335.25827	13.0
339.23395	5.9
349.21558	6.8
367.22711	8.8
369.24054	5.7
385.23581	3.9
393.18771	7.4
441.26453	5.8
543.35303	5.0
579.36334	6.0
581.38580	5.0
617.37946	4.3
623.38953	10.8
635.39691	33.5
642.88953	3.7
653.40649	32.5
665.73730	4.1
671.41492	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29024	4.7
55.01876	8.4
55.05509	49.4
57.03428	15.7
65.03924	7.1
67.05502	58.6
69.03419	18.1
69.07063	18.6
71.04990	10.4
71.58556	6.9
71.58943	7.2
73.02908	4.8
76.50688	4.3
79.05501	45.5
81.03419	68.8
81.07054	48.2
83.04987	30.6
83.08619	28.2
85.02898	14.9
90.00560	5.7
91.05473	39.2
93.07043	37.4
95.04974	39.5
95.08597	29.4
97.02906	16.1
97.06527	15.4
97.10178	33.8
105.07036	31.5
107.04951	31.7
107.08601	25.8
109.02897	13.6
109.06518	17.2
109.10152	23.3
111.04410	11.8
111.08084	9.2
117.07038	11.8
119.08607	23.6
121.06506	23.3
121.10162	17.7
123.04436	11.1
123.08086	10.2
125.09630	26.4
127.03905	6.5
129.07022	17.3
131.08569	21.8
133.06520	6.9
133.10132	14.9
134.38887	4.6
135.08063	12.4
135.11635	6.5
137.06000	6.3
139.03899	10.5
143.08527	6.5
145.06483	17.0
145.10135	15.7
147.04384	10.0
147.08020	9.2
147.11703	13.7
149.05933	4.9
149.09628	7.7
155.08510	9.6
157.10127	13.7
159.08095	6.0
161.05917	6.1
163.03876	4.9
163.11186	10.5
167.07022	7.4
175.11197	14.6
189.11215	12.3
193.12181	22.8
211.13290	20.0
215.14249	6.0
227.12804	13.1
233.15421	12.8
236.15814	4.9
267.15915	39.7
273.14990	7.7
274.25385	4.8
282.73401	5.2
349.21497	8.1
367.22699	25.6
385.23712	46.0
403.24701	18.8
417.95636	4.8
428.29568	5.4
441.26288	8.8
452.20630	5.2
459.27362	100.0
459.33777	8.2
477.28406	76.4
491.30023	14.3
516.37720	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	671.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.01870	1.8
67.05509	0.9
68.99774	0.9
69.03438	0.7
71.57485	0.6
71.57955	1.0
74.12476	0.6
79.05481	2.3
81.03408	1.8
83.04964	0.7
85.02912	2.2
91.05470	0.9
93.07043	0.6
95.04971	1.8
95.26204	0.6
103.05476	2.1
105.07032	20.1
107.04965	4.6
109.02866	1.7
111.04416	0.8
115.05462	1.1
119.04900	0.9
121.06496	3.0
123.04421	12.0
127.03942	2.0
131.04906	0.8
133.06490	100.0
134.06847	1.0
135.04425	1.8
139.03903	4.1
147.04405	5.8
151.03899	34.1
153.01826	2.3
158.81168	0.6
161.05984	1.2
163.03912	2.3
165.05441	3.1
169.04999	1.3
173.05943	0.8
175.03748	0.7
181.04993	1.6
189.05551	0.9
193.04962	2.7
207.06407	0.9
217.05589	0.6
229.92542	0.7
259.10706	0.9
271.09613	4.5
285.07550	4.9
303.08621	34.6
325.03607	0.9
378.20782	0.6
411.79193	0.7
519.14789	2.3
628.64789	0.6
652.09454	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74553	3.5
58.88776	3.2
70.25352	3.1
71.24684	6.8
71.25031	5.3
95.08564	3.2
111.29661	4.2
172.32719	3.2
256.37753	3.5
333.20264	9.6
334.09778	3.8
379.81439	3.9
389.22961	6.6
432.52325	3.8
495.48047	4.2
669.46948	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90065	0.9
53.03937	1.2
55.01874	1.7
55.05510	2.1
57.03427	0.9
61.02896	1.1
61.29663	0.9
65.03970	1.1
67.05489	3.5
68.99788	2.6
69.03426	1.2
69.07065	1.1
69.59672	1.2
69.60007	4.5
69.60436	3.8
71.04964	1.2
79.05489	4.4
81.03413	2.6
81.07064	2.7
83.04966	1.2
83.08620	1.0
85.02907	2.8
91.05478	5.8
93.07026	2.3
95.04954	3.9
95.08616	2.8
97.02889	1.2
105.03385	1.6
105.07047	1.7
107.04943	4.1
107.08562	2.0
109.06516	1.2
109.10120	1.7
115.05488	1.8
117.07000	1.9
119.04964	2.3
119.08628	1.7
121.06500	2.5
121.10139	1.6
123.04451	2.6
125.09589	1.3
127.03893	1.5
129.06993	2.6
131.04907	1.4
131.08580	1.4
133.02826	2.4
133.06462	1.4
133.10124	1.1
135.04405	2.6
135.08040	1.3
137.05978	4.4
139.03900	7.5
145.06441	2.3
145.10152	1.6
147.04384	5.6
147.08153	1.1
151.03917	3.6
155.08528	1.5
159.08058	2.7
159.11783	1.1
161.02408	2.1
161.05968	1.6
163.03917	11.4
163.11218	1.1
163.35956	1.0
165.09164	1.0
167.07014	6.8
171.04419	2.3
173.06007	2.8
175.03920	1.8
175.07542	4.0
177.05470	2.3
179.03349	3.7
181.04910	2.7
181.06396	1.2
181.08574	3.1
187.07542	2.3
189.05472	1.2
190.95621	0.9
191.03391	28.8
191.06990	2.4
192.04156	2.1
193.04865	1.2
195.08055	1.4
197.06003	1.7
199.03955	1.6
201.05432	1.6
203.03477	4.9
203.06953	1.8
205.08699	1.4
207.06439	1.8
209.05927	1.7
211.03899	2.1
213.05542	1.8
215.06898	1.4
225.05508	1.3
227.03398	3.4
229.05019	7.4
233.08076	51.9
239.06960	1.0
241.04889	1.3
241.08635	1.5
243.06587	3.8
245.04524	1.9
251.10645	1.4
253.04919	2.4
253.08647	7.6
255.02914	5.0
257.04541	2.1
263.05469	2.0
265.05099	1.2
266.05823	1.2
267.06427	2.3
269.04492	2.7
269.07877	1.1
271.06003	81.1
272.06512	1.4
273.03992	2.3
279.06509	2.6
279.10104	1.6
283.06079	6.0
283.09634	3.8
293.08173	2.8
293.11414	1.5
295.05899	3.2
295.09653	3.1
305.04465	1.9
307.06116	2.3
307.09644	4.2
321.11252	2.1
329.10251	2.2
335.09201	3.0
337.07010	11.1
347.09299	1.4
349.10703	4.9
351.08984	1.2
359.05286	1.3
367.11761	54.5
368.12021	2.7
369.07672	2.2
371.05438	1.6
377.10223	8.0
379.11716	11.5
385.23651	1.3
387.08679	1.4
388.05307	1.1
399.05029	2.4
403.12009	1.4
409.12775	70.1
410.13107	2.2
423.05081	1.4
429.09680	6.9
441.05264	5.5
459.27396	4.0
471.10733	100.0
472.11200	5.9
477.28287	2.9
483.10803	10.9
485.12366	3.0
495.10635	2.8
503.13290	13.3
504.13828	1.4
513.12048	1.2
515.13312	16.3
527.13123	5.6
545.14264	8.8
653.05792	2.2
653.16473	31.6
671.17419	45.8
672.17853	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	667.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24649	1.8
67.05494	2.5
69.85475	13.1
78.45211	1.7
79.05493	2.2
93.07007	2.9
95.08615	2.5
95.49259	2.0
133.10063	2.4
181.59158	2.0
201.02802	2.2
317.21039	5.5
333.20285	4.3
354.99426	2.5
373.23425	2.9
389.23026	4.2
500.81464	2.2
667.45410	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32969	2.0
55.01870	2.9
55.05516	8.6
57.03439	10.8
58.02900	1.8
59.04986	2.7
61.02913	2.2
67.05507	68.7
69.03458	2.4
69.07067	2.9
70.61954	1.8
71.04986	3.5
75.59828	1.8
79.05482	13.1
79.70229	2.2
81.03423	42.8
81.07064	16.9
83.04990	2.6
83.08626	14.8
85.02923	3.3
85.06540	3.6
91.05482	14.0
93.07059	9.8
95.04974	16.9
95.08617	7.4
97.02914	3.7
97.06541	2.7
105.07015	8.3
107.04950	3.2
107.08577	6.3
109.02930	2.8
109.10155	63.6
111.08092	7.6
119.08580	13.3
121.06543	2.8
121.10159	5.1
125.60110	1.9
129.07019	2.6
131.08620	4.2
131.14998	2.2
133.06522	2.6
133.10098	2.0
137.05933	3.4
137.09622	3.9
143.08606	2.3
145.10223	3.5
146.40166	1.9
147.08034	2.8
147.11713	5.9
149.09644	4.5
155.10605	3.6
157.10136	6.3
173.11739	18.7
175.11177	6.1
181.58253	2.0
193.12225	16.4
211.13432	2.4
229.14359	83.1
249.14970	2.4
263.47134	2.6
267.15939	76.0
268.16180	2.5
301.14148	2.3
329.21091	3.9
333.17676	2.5
362.72672	2.1
403.24863	11.6
403.53827	2.3
421.25864	100.0
422.26205	5.0
468.01633	2.6
668.35266	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	667.441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03730	1.3
53.03947	10.0
55.01856	5.0
55.05507	16.2
56.15459	1.1
57.03435	7.3
57.07074	49.2
65.03943	2.4
65.12913	1.3
67.05502	36.1
69.03078	1.5
69.03429	18.4
69.07069	16.9
70.83935	2.9
70.84301	2.6
71.04997	7.0
71.08630	32.4
73.65302	1.2
79.05486	22.3
79.05906	2.1
79.98447	1.2
81.03413	100.0
81.07049	48.4
83.04981	16.6
83.08615	28.8
83.09108	1.8
85.02914	14.3
85.06532	2.5
85.10181	16.4
91.05475	27.3
93.07047	14.7
95.01304	1.5
95.04967	22.6
95.08603	42.3
97.02890	24.6
97.06539	5.1
97.10148	8.8
99.04441	7.9
99.11710	1.7
105.04557	1.4
105.07024	22.4
107.04948	6.9
107.08591	7.1
109.02864	17.5
109.06512	4.7
109.10143	16.5
111.04449	11.0
111.08093	6.4
111.11707	1.7
112.40070	1.2
113.05987	1.5
115.05424	1.7
117.07028	3.4
119.04847	1.4
119.08585	18.8
121.06528	1.8
121.10140	8.0
123.04382	2.7
123.08113	1.6
123.11681	9.3
125.13271	1.5
127.03910	15.0
129.07008	8.9
131.08582	9.7
133.06479	4.2
133.10110	8.1
134.60358	1.3
137.09636	1.6
137.13251	2.9
143.08537	3.4
145.05043	1.4
145.06436	2.1
145.10158	3.1
147.08078	3.1
147.11676	19.4
149.09625	3.2
153.12749	1.5
157.10138	10.7
163.11220	5.7
165.12759	7.3
171.11647	1.7
173.04456	3.9
173.09647	2.3
175.11183	11.4
181.12227	2.9
185.09621	1.5
189.11206	2.3
189.12746	1.3
191.10728	5.9
193.12239	39.0
211.13281	58.2
221.22717	1.6
227.12805	4.9
229.14389	2.2
235.13376	2.8
237.12671	2.2
239.23637	11.8
249.14877	2.6
255.13838	2.0
259.13562	1.4
265.14453	1.3
267.15878	17.9
273.14859	2.8
285.17081	4.0
296.38785	1.3
301.14334	2.7
313.27359	36.6
319.15323	2.6
333.17407	1.3
337.16479	8.4
355.17416	9.4
383.27954	2.0
393.19147	1.9
411.20270	11.4
439.31165	1.5
505.39099	6.4
523.39856	15.2
649.42828	5.1
667.44122	75.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	11.3
55.05513	20.6
57.03428	8.2
57.07078	57.3
65.03931	3.7
65.47296	3.3
67.05512	45.1
69.03444	22.7
69.07074	23.6
70.04174	15.7
70.17176	3.9
71.05000	5.9
71.08636	41.6
72.08907	3.6
74.39433	2.9
74.83260	3.4
78.90998	3.4
79.05486	27.0
79.58025	3.5
81.03421	100.0
81.07063	53.5
83.04971	19.2
83.08627	32.4
83.32844	3.2
85.02910	18.1
85.10200	19.7
86.64674	3.3
91.05478	30.0
93.07058	20.0
95.04971	20.4
95.08620	43.1
97.02895	28.4
97.06516	5.1
97.10178	15.0
99.04451	7.4
105.07039	28.5
107.04946	10.2
107.08626	9.6
108.85194	3.4
109.02905	23.7
109.06498	5.8
109.10159	17.1
111.04453	15.6
111.08081	6.7
111.61395	3.4
117.07006	4.2
119.08598	13.7
121.06504	4.2
121.10149	13.0
123.11699	8.2
127.03939	18.9
129.07001	9.9
131.08612	9.4
133.10133	11.5
145.06493	4.3
145.10152	10.8
147.08058	8.2
147.11688	18.1
157.10135	11.2
163.11160	6.5
165.09158	3.9
165.12750	5.0
175.11214	14.3
182.32768	3.9
191.10628	3.2
193.12253	44.8
211.13309	57.1
227.12755	8.3
229.14546	4.5
239.23772	10.6
253.14558	3.6
267.15945	13.7
273.14969	5.0
285.17038	4.2
313.27405	30.0
341.07355	3.8
355.17551	8.3
411.20230	9.5
436.24945	3.7
458.72275	3.8
505.38702	7.7
523.39825	15.8
667.44269	95.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3299
Annotation	Strychnogucine B
Peak:m/z	Relative Intensity
53.03934	1.4
53.50155	0.8
55.01868	1.1
55.05509	2.3
57.03434	1.5
61.02928	4.7
63.01004	0.9
67.05189	1.0
67.05482	5.8
69.03419	3.8
69.07067	1.5
69.93806	2.2
69.94225	3.0
73.02911	2.4
73.26401	0.8
79.05492	5.4
81.03429	5.1
81.07065	5.8
83.04993	2.0
83.08633	2.1
85.02908	5.5
87.04471	0.9
91.03949	1.8
91.05461	5.3
93.07053	4.8
95.04982	2.2
95.08616	2.1
97.02901	4.0
97.06551	1.7
97.10181	1.2
101.02364	1.7
105.07034	4.0
107.08604	2.4
109.06518	1.3
109.10171	1.1
111.08089	1.2
119.08609	2.9
121.10123	1.3
123.08096	1.3
127.03866	1.5
131.08574	1.8
133.10117	1.8
135.11703	2.3
147.11736	1.5
153.89166	0.9
157.10193	2.1
163.11270	1.5
172.76741	0.8
175.11246	1.0
193.12259	2.3
208.19742	0.9
220.26559	0.8
221.11543	1.0
241.71959	0.9
243.08737	1.1
251.12544	1.1
255.16003	1.0
439.19318	4.9
469.20309	8.5
649.35327	2.0
667.32935	100.0
668.33173	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	667.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
70.14632	3.2
71.22083	3.9
71.22411	6.8
79.05464	3.4
85.02903	8.3
85.60288	3.9
86.09694	5.3
94.06566	6.4
95.04984	3.7
97.02875	4.8
103.39159	3.8
107.04953	45.9
112.02026	3.9
122.06025	8.6
136.07584	16.7
137.05949	5.5
140.07060	12.1
146.05998	7.0
148.07510	3.8
153.01834	11.1
164.07076	18.7
166.08640	14.2
167.07054	6.0
176.07074	4.7
177.05495	4.2
190.05016	4.2
193.06541	4.7
201.05444	3.7
204.06480	7.0
217.05011	5.8
222.11530	3.4
237.02811	3.6
237.10210	8.3
238.10924	6.1
239.11746	9.9
249.10172	7.6
250.10863	10.6
251.11736	14.7
259.06100	3.5
263.11838	33.2
264.12415	9.9
265.09894	5.3
265.13297	28.1
266.14114	3.8
269.13028	4.6
278.10638	4.6
279.11240	50.7
280.11328	4.6
285.79327	4.1
287.05438	6.4
287.14102	5.0
291.11258	11.8
292.11691	4.7
293.12714	9.9
295.10806	9.1
296.11539	6.2
297.12411	26.7
309.12320	63.6
310.13025	26.5
311.13931	24.1
312.14581	4.3
313.11914	3.8
319.10654	9.2
324.14307	5.8
331.13156	4.6
337.11801	76.3
338.12491	26.2
339.13318	24.5
365.20844	3.9
369.14429	54.7
370.15063	20.6
371.15878	18.9
376.05988	3.6
452.21857	44.3
458.16852	6.2
478.19766	23.4
493.80423	4.2
494.19159	9.5
496.20615	5.6
510.22250	100.0
511.22562	5.3
512.22583	6.9
540.63904	3.9
599.24738	9.5
617.25208	12.3
635.26880	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	667.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30809	2.1
55.36173	1.8
59.15803	2.0
69.52839	16.6
70.43374	1.9
94.06541	3.5
99.26398	1.9
106.06554	3.3
120.08022	3.3
122.06001	12.0
126.97822	1.9
136.07562	24.1
140.07048	18.5
146.05995	7.9
148.07547	13.7
152.07108	3.9
164.07059	53.3
166.08629	26.8
174.05511	7.2
176.07100	15.6
182.09367	1.7
190.04930	3.9
192.06538	4.1
204.06593	3.3
209.10591	1.9
210.11507	5.3
211.12299	3.8
222.11679	2.4
223.12305	4.7
227.11739	2.3
235.12289	2.5
236.08952	1.9
237.10210	8.0
238.10919	9.4
239.11758	16.4
241.13478	2.2
247.71257	1.9
249.10117	5.1
250.11008	4.0
251.11746	15.1
252.12383	3.2
253.13272	5.0
261.12390	2.7
263.09366	2.1
263.11792	14.0
264.12448	2.6
265.10083	3.8
265.13336	26.4
267.11163	4.8
269.12854	6.2
271.10620	2.1
271.14520	4.3
277.09729	3.7
277.13354	2.8
278.10501	4.5
279.11279	89.6
280.11813	8.1
281.13019	5.1
282.13583	2.3
283.10880	2.3
283.14380	5.7
285.12469	2.4
287.13916	12.0
291.11383	4.6
293.12808	11.8
295.10867	4.5
297.12317	45.1
298.13068	6.1
299.13617	2.1
301.12228	2.0
309.12311	31.7
310.13080	16.2
311.13882	63.7
312.14578	9.8
313.12164	3.4
313.15482	6.4
319.10751	4.5
321.12393	7.5
324.11118	2.7
331.13156	2.6
337.11804	63.9
337.81281	2.3
338.12521	17.4
339.13361	52.7
355.12717	2.9
357.14249	3.8
369.14371	5.6
370.14630	3.1
371.16074	13.7
372.16769	2.4
398.15295	2.8
400.16510	3.0
401.13284	5.5
408.19073	2.3
434.16992	3.3
450.19772	2.4
452.21783	100.0
453.21896	3.8
458.17020	5.9
476.18094	7.2
478.19659	26.2
480.21500	2.7
494.19009	12.1
496.20660	4.8
510.22235	10.6
575.24756	3.4
599.24969	10.3
617.26074	9.8
635.27252	31.3
667.29346	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	665.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20434	2.2
53.03939	4.7
54.46925	1.7
55.05509	7.3
57.03429	19.2
57.06868	1.8
57.07076	20.3
57.54840	2.3
61.02925	52.9
67.05511	14.3
69.03424	22.3
69.07054	12.4
69.40427	16.4
69.40827	3.7
71.01369	2.5
71.04987	1.9
71.08630	15.3
73.02916	22.6
73.93646	2.0
73.98859	2.1
79.05495	4.0
81.03417	18.9
81.07056	20.3
83.08631	11.0
84.15165	2.1
85.02903	67.9
85.10181	7.2
87.04475	2.2
91.03954	38.8
93.07038	4.5
95.04919	3.1
95.08607	22.5
97.02885	57.3
97.10172	12.9
99.04450	12.2
101.02396	4.1
103.03922	5.5
105.07037	3.5
109.02893	13.8
109.10165	11.0
111.04458	3.5
111.11729	6.5
115.03947	6.9
119.13734	2.0
123.11691	7.7
127.03912	26.0
129.05489	2.3
131.08577	2.9
137.13242	2.9
142.25691	2.0
145.04974	13.1
146.93068	2.4
159.06569	2.1
163.06015	2.2
163.73940	2.0
183.06514	9.9
184.07292	4.0
201.07622	9.1
249.25740	3.5
264.42972	2.0
267.26846	4.8
285.27789	3.9
318.56955	1.8
341.30502	100.0
342.30881	3.3
369.29956	2.9
383.31610	3.0
449.32776	2.7
467.33026	2.1
485.34695	10.0
533.08374	2.3
665.42126	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	665.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01873	0.6
55.05515	1.4
57.03441	1.2
60.43743	0.4
61.02928	3.5
67.05505	6.3
69.03432	2.4
69.07060	1.4
70.11736	0.9
70.12138	1.2
70.68218	0.5
71.05017	0.7
73.02919	3.5
74.09695	0.5
79.05495	3.2
81.03428	2.3
81.07050	5.6
82.59016	0.4
83.04984	1.0
83.08611	0.9
85.02903	4.1
87.65336	0.5
91.03976	2.7
91.05484	3.2
93.07041	5.0
95.04961	1.2
95.08593	2.4
97.02886	3.0
97.06537	1.5
98.20818	0.7
99.04491	0.9
100.29481	0.5
101.02386	1.3
105.07051	2.0
107.08589	2.5
109.02867	1.1
109.10154	1.4
111.08099	0.5
117.07038	1.1
119.08581	1.3
121.06527	0.6
121.10171	2.0
127.03938	1.6
131.08586	1.1
133.10197	1.6
135.11749	1.2
147.11841	0.6
149.13300	2.1
159.11774	1.4
159.23158	0.5
177.12823	0.7
185.04158	0.5
195.13797	1.1
203.05270	0.6
204.86197	0.5
225.20215	0.5
235.13141	2.1
243.08414	2.1
252.82974	0.5
253.13155	0.7
255.53223	0.6
269.17502	1.7
271.13947	0.5
275.20111	0.7
295.13803	0.5
453.20953	15.1
454.10080	0.5
665.35077	100.0
666.35229	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	665.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.01870	0.9
55.05517	3.4
56.96551	0.9
57.03431	2.0
61.02934	3.0
61.41425	0.6
67.05508	11.4
69.03442	3.9
69.07076	2.7
69.80979	3.4
71.01373	0.6
71.04994	0.6
73.02901	1.9
76.41945	0.5
79.05504	5.2
81.03423	3.6
81.07065	10.3
83.04975	1.9
83.08652	1.5
85.02917	4.2
87.04477	0.8
88.03842	0.5
91.03980	2.0
91.05488	3.3
93.07042	6.7
95.04989	1.9
95.08604	3.6
97.02903	4.2
97.06532	1.4
97.10185	0.8
98.20827	0.8
99.04449	1.3
101.02402	0.7
105.07028	2.9
107.04953	0.9
107.08599	4.0
109.02895	1.5
109.06505	0.8
109.10177	3.6
111.04460	0.7
111.08142	1.0
117.07015	1.3
119.08612	2.4
121.10174	3.1
125.09654	0.8
127.03942	2.0
129.07005	0.7
131.08623	1.7
133.10155	2.0
135.08076	1.1
135.11713	1.5
145.10167	1.1
147.11765	1.2
149.09607	0.7
149.13255	3.3
151.07503	0.7
157.10144	0.8
159.11688	2.6
163.11172	0.6
173.11772	0.8
175.11177	0.7
195.13858	0.9
229.14276	1.4
235.13123	1.7
243.08463	1.9
269.11148	0.6
275.20093	3.5
349.23807	1.0
370.19711	0.8
453.20963	13.8
503.33798	0.8
647.38721	1.3
665.35065	100.0
666.35278	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	12.5
53.54153	2.0
55.01856	7.2
55.05509	23.7
55.46236	2.0
57.03436	5.2
57.07080	5.0
61.02924	2.4
65.03931	2.9
67.05502	80.0
69.03430	39.2
69.07067	19.7
69.51090	21.2
71.04987	7.2
71.08601	2.8
73.02911	3.8
79.05491	65.0
81.03419	62.1
81.06585	4.2
81.07056	84.1
83.04971	8.7
83.08617	11.5
85.02894	20.9
85.06535	4.4
87.04460	2.3
91.04899	3.2
91.05473	53.0
93.06477	4.2
93.07042	68.9
95.04967	17.8
95.08604	55.1
97.02882	31.3
97.06503	6.3
97.10150	5.6
99.04440	7.8
99.46590	2.4
103.03939	5.3
103.05430	4.3
105.07022	44.5
107.04946	38.3
107.08597	40.7
109.02880	20.9
109.06509	9.2
109.10149	29.1
111.04461	6.5
111.08058	2.8
115.03906	3.4
115.05423	2.7
117.07006	20.1
119.04928	19.2
119.08573	28.8
121.02859	6.7
121.06487	21.5
121.10137	31.6
123.04438	8.6
123.08044	3.4
123.11674	8.4
125.05984	2.5
125.09634	2.3
127.03931	11.5
128.06209	3.6
129.05476	5.1
129.06979	8.8
131.04909	12.2
131.08559	27.9
133.06473	17.7
133.10132	22.2
135.04420	3.8
135.08051	3.7
135.11687	23.7
137.05983	9.7
137.09636	3.3
137.13249	4.3
139.11238	3.8
141.07011	3.0
143.08545	10.6
145.04839	2.6
145.06477	6.6
145.10115	19.0
147.08058	5.4
147.11667	16.3
149.05959	13.0
149.09601	2.5
149.13268	15.3
151.07599	3.2
153.07051	2.6
155.08551	7.3
157.06511	5.6
157.10092	8.8
159.08073	5.6
159.11670	14.1
161.05995	2.7
161.13260	12.1
163.11238	3.5
163.14841	6.3
165.06931	5.4
165.09131	2.5
169.10184	4.5
171.11638	6.2
173.09546	2.6
173.13304	13.6
175.07428	3.0
175.11189	3.0
175.14859	4.3
177.12694	3.7
177.16470	2.9
178.07794	3.1
179.08563	5.3
181.10333	2.5
182.07173	2.9
183.08047	3.1
183.11719	3.3
185.09544	4.3
185.13263	5.3
187.14787	9.5
195.11639	4.2
197.09682	2.8
199.14883	3.4
205.15701	2.5
207.08073	4.2
210.06689	4.9
211.07538	3.7
211.11212	2.4
211.14790	2.5
212.08211	4.2
225.09102	4.2
227.10510	2.6
235.07509	3.1
235.13095	3.1
239.14284	2.9
243.10167	100.0
243.21140	5.3
253.08653	13.2
255.10133	25.4
259.20544	5.9
261.22043	21.1
267.10181	24.7
277.14258	2.7
277.21637	4.3
279.10120	4.8
281.11731	3.1
283.13089	2.6
283.20517	2.5
285.11191	25.5
289.21329	3.2
303.23172	5.0
305.11713	7.0
309.11401	10.5
311.66718	2.6
323.23840	2.8
333.11163	21.4
341.24753	2.6
341.30695	3.6
351.12183	9.8
369.24158	6.5
387.25290	5.9
405.26111	4.4
623.87677	2.4
665.41620	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.1
55.33692	2.6
65.48598	2.2
67.05499	5.6
69.03445	3.1
69.07049	5.7
75.99489	2.2
79.05489	3.1
81.07040	4.5
84.08147	93.3
85.02901	5.6
91.05486	3.6
93.07047	4.0
94.06552	6.5
95.04972	3.2
98.20691	4.6
107.04992	2.5
109.74376	2.4
119.08546	2.8
119.60331	2.4
120.08120	3.2
122.06042	21.2
123.04405	3.9
127.03951	4.7
130.08603	12.1
130.99985	2.4
137.06001	4.3
139.03883	4.5
140.07071	33.0
145.06445	3.6
146.06042	12.7
147.11288	3.4
153.01784	2.8
162.05484	3.1
167.07033	37.6
172.03938	13.6
173.05994	5.5
174.05495	13.7
176.07088	8.8
181.04848	12.4
190.04980	4.1
191.05672	3.2
204.06554	22.7
206.08176	10.0
225.10162	4.6
226.08621	2.8
226.10815	2.9
233.08134	3.0
239.11830	3.2
241.09601	3.2
243.11292	17.7
251.11690	3.0
263.08078	3.8
279.11234	4.1
283.10846	6.8
285.12363	20.3
287.10107	3.0
287.13858	3.5
291.10870	2.8
297.12378	3.2
301.12061	3.7
303.13443	29.4
313.11783	32.5
316.14136	3.5
318.27933	5.4
319.13141	3.9
319.16656	4.1
331.12939	16.6
343.13165	2.9
344.13910	3.9
345.14627	16.0
346.15472	7.8
347.16534	3.2
360.17062	5.9
372.13397	3.3
373.14194	5.0
374.14911	5.6
381.31201	17.4
382.15314	3.9
383.11996	2.9
386.14999	12.4
387.15308	7.9
388.16580	3.7
399.32330	14.2
404.16306	4.7
406.17612	7.1
414.14429	7.5
415.15283	17.8
416.16071	25.0
417.15424	24.5
417.33215	25.9
428.16037	3.7
430.17474	4.7
432.15399	3.5
433.16364	4.0
434.17126	5.1
446.17123	7.6
455.98257	3.2
456.15295	6.8
474.16647	36.6
475.17279	15.6
476.18097	10.7
489.18988	3.4
492.17569	3.3
492.92020	2.7
506.19049	13.5
507.20349	3.4
524.20404	14.6
571.25226	3.3
597.23450	8.8
615.24469	100.0
616.24585	4.9
647.27710	5.5
665.22736	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	665.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02023	1.5
67.05502	2.9
69.07050	4.9
71.58565	1.8
71.58983	2.7
79.05464	2.3
81.07055	1.8
91.05498	2.5
94.06560	4.5
95.04945	2.5
107.04966	2.6
116.05067	1.9
120.08146	1.8
122.06014	12.0
123.04423	2.5
123.11624	2.0
124.07640	2.5
134.06042	2.5
136.07571	2.5
140.07065	21.8
144.04411	2.6
145.06465	2.9
146.06004	12.2
146.09663	3.5
148.07487	2.7
152.07027	2.6
161.49831	1.6
164.07086	2.9
167.07011	18.2
172.03952	15.0
174.05527	6.8
176.07047	5.6
181.04982	5.9
190.05009	2.2
204.06563	23.9
206.08102	11.3
221.10800	1.8
227.11884	1.7
235.08719	2.6
236.13130	1.9
237.10242	2.1
239.11961	2.2
241.09697	1.5
243.11281	7.1
247.08685	3.1
248.09479	6.2
249.10216	23.6
250.10913	5.1
251.11787	6.8
261.10199	3.7
262.10977	6.0
263.11783	100.0
264.09909	1.4
264.12372	9.8
265.09741	3.2
265.13345	8.5
267.11340	2.6
275.11990	1.7
277.09689	21.2
278.10550	2.7
279.11298	26.8
280.12054	4.9
281.12808	3.0
282.10443	1.6
282.13428	2.3
283.10754	5.6
285.12268	5.1
287.10126	2.2
289.09622	2.8
290.10428	9.8
290.37689	1.9
291.11261	39.8
292.12003	11.2
295.10760	20.3
296.11438	2.7
297.12296	4.3
299.10443	2.5
301.11887	2.9
303.07828	2.8
303.13394	21.1
307.10791	3.4
308.11597	3.7
309.12338	45.6
310.13004	4.4
311.10376	2.3
311.13882	5.8
313.11758	10.9
314.16284	1.8
315.13312	2.7
316.10873	1.6
318.09973	6.7
318.15918	3.7
323.10532	2.5
323.13864	69.9
324.14481	3.3
325.11768	1.7
327.13406	2.2
329.11188	2.2
331.12869	7.3
335.10129	4.1
336.07181	2.8
336.11023	48.9
337.11807	24.5
338.12582	5.1
341.15103	3.6
345.14453	15.5
346.15384	2.8
347.16324	3.1
353.11273	2.0
354.12170	2.0
355.13031	9.3
356.13574	2.8
358.15616	2.5
360.17142	3.7
363.15463	2.2
367.12878	40.8
368.13666	53.4
369.14478	52.0
370.11023	1.9
370.15231	21.2
371.12537	2.0
372.13260	3.6
373.14059	2.1
374.14920	4.7
385.14020	2.6
386.15021	4.3
387.15466	5.8
388.16425	5.2
402.13983	2.0
402.18832	1.8
404.15982	2.2
406.17569	4.4
414.14465	4.9
415.15204	11.5
416.16098	14.4
417.15527	10.3
428.16058	3.2
430.17389	4.8
432.15100	2.8
433.16269	4.2
434.17004	3.3
446.17126	6.0
447.17441	2.7
448.18961	1.9
456.15176	4.2
474.16663	18.7
475.17249	13.4
476.18063	11.5
478.19778	19.1
489.18442	1.8
490.19650	2.7
493.18298	7.2
494.19037	4.9
506.19406	8.1
507.19604	3.2
508.20779	95.9
509.21170	3.7
510.22357	36.2
526.21698	9.1
573.23370	3.7
597.22961	4.3
615.24445	58.1
616.24615	2.6
633.25769	3.5
647.26550	5.3
665.27405	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.9
56.66645	1.3
59.05851	0.8
61.02903	1.1
65.03925	1.2
67.05508	4.5
69.03420	2.2
69.07059	1.9
70.06523	1.0
71.59367	1.3
75.37428	0.8
79.05466	2.3
80.41885	0.8
81.03406	2.4
81.07042	1.8
82.06573	1.1
84.08134	1.3
85.02899	6.6
91.05463	2.9
93.07056	1.7
94.06583	1.7
95.04964	3.4
95.08596	1.4
95.88992	0.9
97.02897	2.1
99.04449	1.0
106.06535	3.5
107.04990	2.2
108.01967	0.8
108.08108	1.5
109.02917	1.1
111.04417	1.4
114.80825	0.8
115.05456	1.3
117.07002	2.3
120.08096	2.8
121.02966	1.0
121.08827	1.0
122.06023	2.6
123.04428	4.3
124.07578	5.1
124.59987	1.0
134.24281	0.9
136.07562	2.7
137.05920	1.8
138.05496	11.4
139.03943	2.1
140.07063	2.5
145.06470	2.8
147.04419	2.5
148.07545	2.9
150.05385	1.2
152.04730	1.0
152.07065	2.3
155.05963	1.2
160.07527	1.3
164.07092	1.7
166.08633	42.4
167.07039	29.2
172.07591	1.5
173.05951	5.1
174.09135	1.0
179.95038	1.0
181.04913	7.9
182.09685	1.3
190.08559	4.6
191.07161	1.1
199.08682	1.0
204.10280	1.5
205.03096	0.9
205.08525	1.2
209.10703	2.1
212.09447	1.7
213.10272	1.5
217.08696	1.0
218.08170	1.7
223.12425	1.4
224.09488	1.1
225.10266	4.6
227.11815	1.7
231.11356	2.2
233.07994	2.1
235.08783	1.2
236.09398	2.3
237.10252	3.4
238.10915	1.3
239.09351	4.8
239.11819	2.6
241.09679	3.1
243.11414	2.5
245.12935	1.5
248.09555	1.2
249.10202	3.5
250.10973	2.5
251.08141	2.1
251.11777	6.7
252.08975	1.2
252.12343	1.3
253.09743	2.7
253.13397	1.6
255.11293	1.8
257.12741	1.1
259.10831	4.5
259.79410	1.0
261.12585	1.3
263.11795	2.9
265.09705	4.8
265.13312	3.0
266.08142	1.6
266.10730	1.2
267.11383	1.8
269.09061	1.6
269.12753	2.7
271.10779	3.1
279.11218	3.3
280.11826	1.2
281.09351	1.9
282.11343	1.5
283.10739	6.3
285.12384	10.0
287.14078	2.3
295.11005	1.7
296.11649	1.1
297.12341	3.6
301.11890	1.2
303.13568	4.1
304.14352	1.4
305.14966	1.9
309.12085	1.7
311.10287	14.9
311.13770	2.6
313.11859	4.6
314.12738	1.6
315.13571	1.8
316.11066	1.2
316.14441	4.0
317.15408	1.4
318.12762	1.6
318.16080	1.4
323.16031	6.9
325.11633	2.0
328.14365	2.5
329.11575	5.9
329.15094	2.1
330.12280	6.0
330.16104	2.4
331.13193	3.9
332.13968	2.8
339.13571	1.4
342.12488	2.2
343.13022	13.7
344.13962	9.6
344.17621	1.7
345.14615	2.9
346.15500	3.2
348.17004	1.7
349.17871	1.4
355.13440	1.6
356.13794	2.6
357.14667	4.1
358.11539	1.4
358.15485	13.5
360.17227	2.5
362.18832	2.1
368.14029	1.4
370.15515	2.2
371.16534	2.0
372.13364	2.9
372.17090	3.6
374.14780	5.0
375.15591	2.1
376.16583	3.6
377.17300	2.8
382.15305	1.7
384.13162	1.1
386.14948	2.8
387.14267	4.6
388.16751	6.3
389.17435	14.3
390.14404	3.8
390.18069	3.7
399.14459	1.6
399.21933	4.3
400.16608	2.8
401.13339	1.2
402.18292	2.2
403.15091	2.9
403.19199	2.8
404.15314	2.3
404.19733	3.3
406.17487	2.1
407.18362	3.1
408.19177	2.5
414.18469	1.4
415.26202	1.0
416.16013	3.4
417.15591	17.6
418.17908	5.1
421.16235	1.4
430.17657	5.2
432.19363	4.8
433.16418	1.9
434.16983	2.3
435.17792	7.9
436.18558	4.3
446.16824	6.1
447.16995	1.3
448.18686	47.8
449.18872	1.8
450.20236	38.8
451.20544	2.2
458.16946	5.8
462.16541	3.4
464.17816	1.5
474.16614	3.2
476.18149	100.0
477.18610	5.8
490.19809	2.0
492.17499	1.6
494.19165	7.6
506.19186	3.7
508.20804	42.6
508.28311	2.1
509.21051	2.9
524.20300	23.1
535.17548	1.8
555.22083	3.0
573.23352	8.9
587.24731	3.4
597.23383	14.3
598.23450	2.1
605.26257	2.9
615.24316	11.1
616.23633	1.6
629.25214	1.5
633.15900	1.5
633.25549	19.3
647.26404	1.3
665.29272	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	665.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02023	1.5
67.05502	2.9
69.07050	4.9
71.58565	1.8
71.58983	2.7
79.05464	2.3
81.07055	1.8
91.05498	2.5
94.06560	4.5
95.04945	2.5
107.04966	2.6
116.05067	1.9
120.08146	1.8
122.06014	12.0
123.04423	2.5
123.11624	2.0
124.07640	2.5
134.06042	2.5
136.07571	2.5
140.07065	21.8
144.04411	2.6
145.06465	2.9
146.06004	12.2
146.09663	3.5
148.07487	2.7
152.07027	2.6
161.49831	1.6
164.07086	2.9
167.07011	18.2
172.03952	15.0
174.05527	6.8
176.07047	5.6
181.04982	5.9
190.05009	2.2
204.06563	23.9
206.08102	11.3
221.10800	1.8
227.11884	1.7
235.08719	2.6
236.13130	1.9
237.10242	2.1
239.11961	2.2
241.09697	1.5
243.11281	7.1
247.08685	3.1
248.09479	6.2
249.10216	23.6
250.10913	5.1
251.11787	6.8
261.10199	3.7
262.10977	6.0
263.11783	100.0
264.09909	1.4
264.12372	9.8
265.09741	3.2
265.13345	8.5
267.11340	2.6
275.11990	1.7
277.09689	21.2
278.10550	2.7
279.11298	26.8
280.12054	4.9
281.12808	3.0
282.10443	1.6
282.13428	2.3
283.10754	5.6
285.12268	5.1
287.10126	2.2
289.09622	2.8
290.10428	9.8
290.37689	1.9
291.11261	39.8
292.12003	11.2
295.10760	20.3
296.11438	2.7
297.12296	4.3
299.10443	2.5
301.11887	2.9
303.07828	2.8
303.13394	21.1
307.10791	3.4
308.11597	3.7
309.12338	45.6
310.13004	4.4
311.10376	2.3
311.13882	5.8
313.11758	10.9
314.16284	1.8
315.13312	2.7
316.10873	1.6
318.09973	6.7
318.15918	3.7
323.10532	2.5
323.13864	69.9
324.14481	3.3
325.11768	1.7
327.13406	2.2
329.11188	2.2
331.12869	7.3
335.10129	4.1
336.07181	2.8
336.11023	48.9
337.11807	24.5
338.12582	5.1
341.15103	3.6
345.14453	15.5
346.15384	2.8
347.16324	3.1
353.11273	2.0
354.12170	2.0
355.13031	9.3
356.13574	2.8
358.15616	2.5
360.17142	3.7
363.15463	2.2
367.12878	40.8
368.13666	53.4
369.14478	52.0
370.11023	1.9
370.15231	21.2
371.12537	2.0
372.13260	3.6
373.14059	2.1
374.14920	4.7
385.14020	2.6
386.15021	4.3
387.15466	5.8
388.16425	5.2
402.13983	2.0
402.18832	1.8
404.15982	2.2
406.17569	4.4
414.14465	4.9
415.15204	11.5
416.16098	14.4
417.15527	10.3
428.16058	3.2
430.17389	4.8
432.15100	2.8
433.16269	4.2
434.17004	3.3
446.17126	6.0
447.17441	2.7
448.18961	1.9
456.15176	4.2
474.16663	18.7
475.17249	13.4
476.18063	11.5
478.19778	19.1
489.18442	1.8
490.19650	2.7
493.18298	7.2
494.19037	4.9
506.19406	8.1
507.19604	3.2
508.20779	95.9
509.21170	3.7
510.22357	36.2
526.21698	9.1
573.23370	3.7
597.22961	4.3
615.24445	58.1
616.24615	2.6
633.25769	3.5
647.26550	5.3
665.27405	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	10.3
70.06594	4.8
71.16462	9.5
92.77858	4.4
94.06520	7.1
110.07199	4.9
119.08155	5.4
122.06015	19.3
136.07564	7.2
140.07086	5.5
146.05951	4.1
164.07062	9.9
200.07147	7.3
211.08688	26.3
212.09402	9.6
214.08641	6.2
223.08580	5.6
225.10280	9.7
231.32983	4.9
237.10298	17.8
239.11848	9.8
241.09695	6.0
242.08124	6.7
248.09497	5.6
249.10210	10.7
250.10773	6.5
251.07965	5.3
253.09776	15.3
254.10562	11.9
262.11032	5.8
263.11798	33.9
265.09708	17.9
265.13043	5.8
266.10568	7.6
267.11304	11.4
269.09109	8.6
271.10776	8.8
279.11304	10.1
281.12808	4.7
283.10706	24.5
285.12341	10.2
291.11194	9.8
293.09283	4.6
293.12909	4.7
295.10791	7.8
297.12253	13.3
308.11456	4.8
309.12259	63.8
310.12894	5.3
311.10275	11.1
312.11026	6.2
313.11679	8.4
326.12601	23.7
327.13425	5.8
329.11209	4.7
337.11786	31.5
338.12604	5.8
343.12848	39.2
353.11398	6.6
354.11960	5.5
355.12769	20.0
369.14453	100.0
370.15292	8.0
371.12402	9.0
387.15512	41.4
403.14917	42.9
440.16171	5.5
448.18573	5.3
458.16968	17.1
476.18109	50.6
477.18185	5.0
490.19858	34.5
491.20261	9.7
492.17554	27.5
508.20975	36.3
509.21396	5.2
510.22525	10.3
512.20166	11.8
514.54919	4.5
524.20001	56.2
633.25616	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	665.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.6
65.03925	1.6
67.05470	1.3
69.03409	1.0
69.07057	1.6
70.84101	1.6
78.04693	1.8
79.05474	2.8
81.03419	0.6
81.07038	1.5
85.02879	2.2
91.05476	1.7
93.07028	0.8
95.04949	2.0
97.02872	1.3
97.06538	0.8
103.05453	1.1
105.06982	0.6
106.04143	1.1
107.04966	4.5
107.45955	0.5
109.06542	0.6
111.04440	1.2
115.05457	2.6
117.07010	6.0
119.04973	0.8
123.04419	4.8
124.05160	2.2
125.05993	1.4
127.03914	1.0
127.05386	0.9
133.06528	0.6
133.10185	0.7
135.04376	0.5
137.05945	1.1
140.07030	1.3
143.04924	0.6
145.06462	8.9
145.10143	0.6
147.04384	2.5
151.03865	1.0
152.04662	2.8
155.06007	1.7
167.07028	100.0
168.07396	1.3
171.06538	1.5
173.05971	17.3
181.04944	27.4
191.06937	0.7
195.06554	0.9
201.05452	1.0
205.06680	0.9
205.08553	3.7
218.05777	1.0
225.33942	0.5
233.08089	6.4
235.09615	3.4
245.07990	0.6
259.10791	1.1
272.10501	0.6
301.11758	0.7
308.08243	0.6
313.11923	0.6
319.12772	1.1
322.08646	0.6
363.63715	0.6
367.11856	0.7
381.13641	0.6
384.12131	0.7
387.14255	9.0
399.14597	3.1
417.15411	67.8
418.15683	3.7
474.16330	0.7
476.18057	2.1
507.19131	0.7
508.20151	1.8
524.20575	1.0
615.24701	2.9
633.25110	0.7
665.28979	1.1
665.48401	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76664	1.4
54.82543	1.5
57.07079	43.3
59.29218	1.8
71.16298	2.5
71.16633	1.8
72.63928	1.7
79.45121	1.7
85.91016	1.6
91.05484	4.7
147.11713	4.5
153.06969	2.7
175.01666	1.7
194.65459	1.5
233.03679	4.3
251.04643	13.8
307.11066	3.0
327.07800	74.1
328.08063	2.4
383.14056	63.1
439.20389	49.2
495.26584	78.0
496.27100	3.6
551.32892	100.0
552.33148	3.4
574.47003	1.9
607.39117	56.3
608.39221	2.6
632.13898	1.9
663.45239	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	663.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80679	0.7
53.67808	0.8
58.83899	0.8
59.03784	0.7
67.05495	2.5
69.31810	7.7
80.21817	0.8
81.03410	1.6
81.07064	1.4
88.27958	0.7
88.77389	0.7
91.05478	1.8
93.07018	1.1
95.04981	0.9
97.02860	1.4
105.07030	2.1
105.40424	1.0
107.04916	0.8
107.08569	1.6
107.41944	0.9
112.77143	0.9
117.07061	1.0
119.08575	1.0
121.10033	0.8
139.03949	1.1
167.07014	0.7
167.10544	0.7
243.08485	1.1
350.86639	0.8
445.25046	1.4
459.15445	0.9
501.28058	1.4
566.52759	0.8
620.23499	1.3
621.23724	1.1
663.33502	100.0
664.33795	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	663.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63445	0.8
64.65709	0.8
69.07050	1.0
69.38564	2.0
69.38965	7.7
86.09718	0.7
97.02867	1.4
98.21521	1.5
100.06493	0.8
122.06054	1.5
125.79887	0.8
137.05977	1.0
140.07077	2.4
146.06035	1.4
148.07642	1.0
152.07114	2.6
153.01819	1.7
154.08714	1.0
172.03958	2.3
174.05478	1.9
176.07123	2.2
194.08150	4.2
225.10210	5.1
227.11888	1.2
236.09267	0.9
237.10248	2.2
239.11826	2.2
240.12627	1.6
241.09729	0.9
249.10297	1.9
251.08141	1.4
251.11836	2.7
253.09724	9.4
263.11844	3.2
264.08966	1.3
265.09680	4.9
266.10376	4.5
267.11215	4.9
269.12848	2.7
277.09711	2.5
279.07959	0.9
279.11243	3.5
280.12027	1.5
281.12741	2.0
282.09930	1.7
283.10849	1.3
284.11612	1.6
285.12421	1.7
287.13882	2.8
291.11453	1.8
293.05978	1.1
293.09222	19.5
293.12305	0.7
294.09973	19.2
295.10736	13.1
295.13776	1.1
297.12314	7.6
299.14081	1.8
301.11835	1.1
307.10764	1.1
307.14407	1.0
308.11377	1.6
309.12329	39.9
310.13065	1.6
311.10513	1.3
312.11121	4.0
313.11649	5.7
316.14612	1.1
323.13956	1.7
325.11771	2.0
327.13416	17.9
330.15942	1.4
331.02734	0.8
331.12915	1.8
331.16498	1.1
337.11484	1.6
339.13364	8.6
340.14056	2.9
341.14966	2.6
344.17746	0.9
351.13409	11.2
353.11325	2.7
354.12314	2.5
358.15643	1.6
367.06161	1.4
367.12894	7.8
368.13739	1.4
369.14441	100.0
370.14908	2.7
384.13409	1.4
385.14172	1.9
398.15118	2.3
399.15817	6.3
400.16571	5.6
401.17065	32.9
402.17847	1.7
417.16766	1.0
458.16992	8.4
459.17899	4.0
460.18607	1.5
468.21167	3.2
490.19562	1.3
508.20792	30.6
509.21552	15.7
526.21832	1.9
540.23328	11.3
541.24036	2.6
557.23743	1.2
581.24121	1.1
599.24951	26.1
631.27222	2.6
663.27728	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.99106	4.0
72.97932	1.8
81.07031	1.7
85.02897	2.2
88.02207	5.7
91.05469	2.2
97.02892	2.1
100.01359	1.6
116.05320	6.5
122.06025	2.4
136.07559	2.4
140.07118	2.6
163.07430	1.6
164.07018	2.0
167.07039	2.2
172.03978	1.9
191.06996	2.2
191.61333	1.7
204.06566	1.9
206.08170	2.5
222.11424	4.3
229.42554	2.2
236.09322	2.6
237.10272	4.4
240.90292	1.8
248.09418	5.7
249.10258	18.4
250.11024	7.9
251.11728	6.0
261.10226	4.7
262.10947	7.6
263.11792	88.2
264.12476	8.4
265.09698	2.0
265.13394	8.8
266.10690	2.2
277.09741	15.9
278.10440	2.4
279.11295	34.4
280.11929	2.4
281.12790	7.1
282.13638	6.7
289.09717	2.8
290.10406	5.6
291.11249	32.3
292.11975	8.5
293.12790	4.0
295.10812	13.9
303.07617	5.0
307.10760	8.5
308.11429	2.1
309.08728	3.7
309.12320	58.7
310.13177	4.1
311.13943	3.4
318.10007	6.7
319.10822	2.5
321.12460	1.8
323.13861	53.3
324.14478	4.1
336.10986	43.2
337.11832	20.9
338.12659	2.9
341.15063	12.5
345.14594	3.5
351.13470	3.8
367.12845	36.8
368.13635	42.5
369.14423	100.0
370.15082	12.1
399.15469	5.7
401.17252	3.2
460.99896	1.8
476.18231	5.8
478.19888	14.6
490.19907	6.5
491.20377	4.8
508.20798	84.1
509.21109	4.5
510.22412	30.1
540.23376	55.6
599.24774	5.3
613.24286	1.8
631.27997	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	662.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80507	2.8
55.01875	3.4
55.05521	15.7
57.03431	13.9
58.36448	2.7
66.21149	3.1
67.05511	35.1
69.03423	6.6
69.07069	10.4
69.93722	9.0
69.94125	6.9
79.05495	39.3
81.03421	51.6
81.07054	32.8
83.04977	14.9
83.08636	22.0
85.02905	17.0
85.06535	5.3
91.05469	33.4
93.07055	43.4
95.04970	21.2
95.08620	12.7
97.02912	3.8
97.06554	10.3
97.10182	9.8
99.08129	3.9
105.07036	16.5
107.04999	7.8
107.08591	24.5
109.10160	7.0
111.08082	9.2
117.07048	5.9
119.08557	16.8
121.10151	13.3
123.08096	5.1
129.07028	8.3
131.08536	7.0
133.10141	11.8
135.11696	39.6
137.09596	3.5
145.10126	6.5
147.11717	14.0
157.10172	14.5
159.11620	3.3
163.11185	4.3
171.11758	3.8
175.11195	11.5
181.12271	9.6
184.07338	7.7
193.12236	32.7
211.13286	57.9
255.15906	73.8
267.15939	32.0
285.16940	25.8
299.62155	3.8
429.30069	14.2
447.27213	74.2
458.14828	4.0
465.28476	100.0
497.76947	3.2
498.18732	4.3
529.20752	4.0
598.19891	6.4
619.23218	6.3
620.23407	6.3
630.22693	29.2
631.22302	5.1
656.66852	4.0
662.25220	13.1
663.24951	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	661.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	4.2
69.61467	2.2
70.89478	6.7
81.07047	3.7
84.89910	2.1
96.69532	2.0
110.39812	2.0
127.07292	2.0
349.19861	8.0
360.96683	3.2
405.22781	5.7
498.32794	2.6
510.69571	2.1
573.41132	4.7
661.35315	5.3
661.46448	100.0
662.46643	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	661.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71698	5.1
70.74649	18.2
72.48717	4.6
80.61927	5.6
82.32033	4.6
87.07555	5.5
88.79237	4.7
91.72733	4.8
93.41809	4.4
106.35313	4.8
120.91368	4.7
123.80573	5.8
128.38275	5.9
138.53790	5.1
150.89668	5.5
157.58023	6.1
176.26555	5.2
216.87463	5.1
251.65138	5.8
381.98874	5.9
385.13531	6.2
426.03207	6.5
661.44275	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61295	3.1
53.03939	7.2
55.01856	7.1
55.05514	20.7
57.03432	28.9
57.07075	4.9
61.02926	100.0
67.05502	65.2
67.30032	3.5
69.03430	38.3
69.07069	23.2
71.01330	4.5
71.05007	5.8
71.59095	5.7
73.02911	26.0
76.89992	3.7
79.05503	19.5
81.03426	24.1
81.07061	62.4
83.04979	4.4
83.08620	13.7
83.67779	3.4
85.02427	7.0
85.02910	95.0
87.04456	5.5
91.03957	60.6
91.05484	15.8
91.56186	3.7
93.07027	24.9
95.04961	4.5
95.08602	42.5
97.02892	86.4
97.06560	4.5
97.10184	7.3
98.98472	4.8
99.04458	17.0
99.08104	4.2
101.02381	9.4
103.03951	13.6
105.07014	13.4
107.08597	14.9
109.02885	18.9
109.10171	18.7
109.59354	4.0
111.04424	6.7
115.03922	6.6
117.06892	3.9
119.08541	6.6
121.10152	16.3
123.11717	7.4
127.03947	36.3
128.60236	3.3
129.05492	7.9
131.08582	5.6
133.10153	10.7
135.11758	7.6
145.04958	26.9
147.11624	4.3
149.13206	7.9
161.13266	5.2
163.06047	5.9
163.14812	7.4
175.14790	4.9
182.01245	3.6
183.06508	9.5
201.07623	7.7
245.22620	8.4
263.23727	20.6
315.28452	3.6
335.25949	4.1
337.27350	87.0
353.82129	4.3
365.26782	5.3
371.25772	6.1
445.29593	4.5
463.30865	6.5
481.31870	6.8
578.42682	4.1
667.85767	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	660.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.6
55.55135	0.7
56.61956	0.8
57.07076	29.9
60.48540	0.8
67.05487	2.4
69.07076	1.5
69.83962	5.1
71.08633	29.5
73.06558	9.6
81.07066	1.4
81.16588	0.8
83.08630	4.3
85.10186	26.7
87.04473	10.3
89.06032	100.0
91.07574	1.5
93.07036	1.2
95.05011	1.0
97.10175	0.8
98.20766	1.0
99.11745	2.1
107.07070	6.3
111.83659	0.8
117.09137	7.9
130.08672	2.6
131.07050	2.2
131.89761	0.7
133.08603	49.6
135.10164	1.7
136.90108	0.8
141.16357	4.2
161.11717	1.4
175.09651	1.1
177.11220	17.0
185.19008	5.2
221.13905	3.3
226.21716	1.6
227.26741	0.7
229.21622	7.5
239.14975	0.8
273.24161	3.8
283.17416	1.2
343.48871	0.9
389.15628	1.0
415.25385	1.1
523.98352	0.8
550.15753	0.9
562.38208	1.4
591.24188	0.8
628.57336	0.9
643.46082	2.3
660.48816	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.5
53.16515	2.0
53.31415	2.0
55.01855	1.9
55.05500	7.3
56.96560	6.2
57.03422	6.0
59.32238	1.5
61.02930	2.3
67.05177	2.2
67.05503	31.0
69.07063	12.1
71.04979	3.6
71.58893	1.4
71.59264	2.0
72.71585	1.4
73.02890	2.0
73.77024	1.4
74.63262	1.6
79.05495	23.1
81.03417	4.7
81.07058	43.3
83.04947	2.0
83.08595	5.9
85.02897	3.0
85.56020	1.7
91.05479	17.0
93.07039	31.6
95.04972	5.4
95.08606	10.3
97.02834	1.8
97.06516	6.0
97.10143	1.7
99.08054	2.0
105.07013	8.4
107.08590	17.3
109.10208	4.2
111.08100	2.3
117.07010	6.0
119.08551	5.9
121.06450	2.1
121.10112	10.2
123.08084	2.1
123.11708	3.6
129.07019	2.4
131.08540	8.7
133.10147	12.4
135.11705	5.5
136.92378	1.5
143.08582	2.8
145.10124	3.2
147.11702	3.5
149.13255	11.8
151.11101	2.0
157.10107	2.3
159.11711	6.0
177.12720	3.3
185.13222	2.1
195.13829	9.5
213.08038	1.7
217.07489	3.0
229.07497	2.5
231.09041	4.2
243.08989	2.0
247.08525	3.0
251.16530	2.9
253.14339	3.6
255.09094	2.6
261.10001	2.4
269.17468	29.6
331.15677	2.7
349.16849	12.4
350.17313	9.1
353.24921	2.7
367.17966	9.0
368.18369	10.1
371.25330	1.7
445.29443	12.7
463.30600	100.0
464.30765	4.5
481.31744	2.5
573.52826	2.0
579.01782	1.9
607.35339	3.2
617.84485	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77211	1.9
51.98560	2.2
53.03937	2.5
55.05497	8.8
57.03418	6.9
61.02913	2.4
67.05502	38.4
69.03407	2.7
69.07050	10.0
69.57776	5.0
69.58187	15.6
71.04987	2.5
72.26311	2.5
79.05483	21.1
81.03408	2.5
81.06596	2.9
81.07055	54.2
83.04957	4.2
83.08606	13.5
85.02892	4.6
85.06497	4.2
91.03902	2.4
91.05466	17.1
93.07043	30.7
95.04964	5.6
95.08600	13.6
95.30700	2.5
97.06528	6.4
105.07020	10.3
107.08597	18.7
109.06519	4.2
109.10117	3.5
111.08078	5.4
117.07022	6.4
119.08585	5.6
121.06549	3.2
121.10148	12.4
123.11697	3.4
129.06998	6.3
131.08537	9.7
133.10136	11.2
135.11678	7.7
145.10066	5.1
149.09576	2.4
149.13217	14.9
159.11624	11.0
171.11555	2.7
177.12442	2.3
184.07327	3.8
195.13802	7.2
220.57957	2.9
222.60670	2.4
269.17471	28.0
278.45862	2.7
367.17706	3.0
445.29419	15.1
463.30536	100.0
464.30939	5.6
621.83130	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	660.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.3
55.01862	2.0
55.05510	8.8
57.03442	8.5
57.07068	1.4
58.31593	0.7
58.41218	0.7
61.02921	1.5
62.43148	0.7
65.03927	1.7
67.05508	39.7
69.03425	0.8
69.07072	17.5
71.04979	2.8
79.05498	24.3
80.66982	0.6
81.03423	2.7
81.07060	51.8
83.04996	5.2
83.08622	9.8
85.02898	1.1
85.06558	2.6
86.06823	0.8
91.05479	11.9
93.07047	39.0
95.04964	3.9
95.08039	1.4
95.08607	12.9
97.02882	1.6
97.06532	8.1
97.10142	1.3
99.04480	0.7
99.08092	2.1
105.07024	4.7
107.04953	1.1
107.08596	23.1
109.06494	1.3
109.10164	2.2
111.08085	4.9
113.09666	1.4
117.07023	4.4
119.08578	1.7
121.06567	1.2
121.10152	13.3
123.11729	1.3
127.07488	0.8
131.08568	6.8
133.10149	6.1
135.08067	1.9
135.11674	6.2
138.39366	0.7
139.11208	0.8
147.11703	1.5
149.13264	23.0
159.11678	9.6
163.25471	0.7
177.12759	5.4
177.53630	0.8
195.13803	9.6
213.14851	1.4
229.66191	0.8
269.17490	60.5
270.17953	1.7
281.26834	0.8
335.88559	0.8
463.30569	100.0
464.30933	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	660.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16320	2.4
56.96561	10.9
69.03443	3.7
70.19376	11.3
70.19720	2.3
81.03409	3.8
84.96012	3.0
85.02908	7.3
85.38758	2.4
97.02886	4.4
98.21180	5.0
98.97581	15.0
100.07631	5.8
101.00880	5.1
109.12445	2.4
110.97563	3.1
112.99142	3.5
116.98653	13.6
119.01933	12.4
127.02391	5.2
128.98599	5.7
130.01793	5.0
131.00169	10.6
131.01912	4.7
133.03508	3.9
134.99666	12.5
137.02901	3.7
143.00133	3.1
143.01897	13.3
145.01723	3.2
145.03470	33.5
146.99657	9.0
148.02808	7.8
149.01189	11.7
152.67407	2.5
155.01923	8.1
157.03479	11.1
158.99666	7.5
161.01399	4.6
161.02966	24.6
167.01974	4.0
169.03448	6.0
170.99649	3.7
171.05034	3.9
173.01268	6.2
173.02965	24.0
174.01649	2.9
174.04407	10.1
175.02933	3.7
175.04552	8.5
177.00671	7.1
185.02922	36.4
187.04588	7.5
189.00745	7.2
191.02274	7.8
191.04031	16.4
192.05424	13.5
193.03772	2.9
197.02922	12.8
199.04565	4.5
201.00720	8.5
203.04015	14.0
211.04729	4.6
215.04060	11.8
216.05443	3.0
219.01740	18.1
219.07121	3.5
221.05147	8.3
223.04906	3.0
227.04057	4.8
228.07225	7.6
229.05540	3.3
233.05070	15.6
237.02818	26.8
245.05077	100.0
246.05569	5.3
246.08296	15.1
251.06163	4.2
257.05090	8.9
259.06799	6.0
260.04227	3.2
260.06830	2.4
261.02951	9.8
263.06192	15.4
274.08356	2.9
275.06143	14.1
279.03983	6.7
281.05453	3.0
282.50067	2.8
288.09100	3.5
293.07306	6.9
302.10791	3.6
303.04620	3.1
305.07263	23.2
317.07126	5.9
318.08630	24.8
319.08618	7.2
321.05014	3.6
321.10294	12.2
322.10519	7.1
323.10300	3.7
326.03531	2.6
335.08279	11.6
336.09491	11.6
337.08466	9.4
353.09515	3.1
355.09085	10.1
365.09390	38.8
383.10181	5.9
397.11108	2.7
450.08749	3.5
497.13580	30.2
498.14011	3.2
510.10965	16.6
513.11029	8.0
515.15088	15.2
555.11902	4.6
556.12836	13.0
660.19623	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	659.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	12.3
55.01867	8.4
55.05512	37.6
57.03435	32.3
57.07061	5.8
59.39104	5.9
65.03922	8.0
67.05505	100.0
69.07053	27.8
69.79297	29.5
69.79705	11.4
71.04977	17.7
71.08629	12.8
75.42709	6.4
79.05490	75.4
81.03428	11.1
81.07053	83.7
83.04984	10.2
83.08605	22.0
85.06530	9.4
91.05484	73.9
93.07043	84.8
95.04961	26.9
95.08612	58.5
97.06513	22.0
97.10135	7.5
98.21508	8.1
99.08083	11.4
105.07034	64.2
107.04945	13.8
107.08598	44.7
109.06486	39.3
109.10131	23.7
111.08067	10.1
115.31975	6.2
117.07009	25.9
119.08556	42.9
121.10136	25.8
121.87119	5.7
123.08039	17.2
123.11607	7.3
125.09632	11.5
127.05215	6.5
129.06996	18.0
131.08594	44.1
131.51630	6.0
133.10173	35.9
135.08051	28.7
135.11719	16.3
143.08563	18.8
145.10121	32.4
147.08080	6.1
147.11684	19.6
149.09657	9.5
149.13310	8.2
151.11171	11.0
153.12741	6.2
155.08456	6.1
157.10033	12.1
159.11681	22.3
161.13301	8.1
163.11226	10.7
169.10123	13.9
171.11668	11.4
175.14833	7.7
177.12787	10.1
181.10019	6.9
183.11705	8.6
185.13266	8.7
187.14742	10.2
189.00482	6.4
195.13815	6.0
195.60329	5.7
209.13307	7.6
217.15688	9.1
230.84891	6.7
253.17918	6.7
259.20532	12.0
273.18488	35.4
275.19971	22.8
275.22748	7.8
277.21490	18.1
291.19528	13.7
293.21021	25.7
309.18427	6.4
347.22131	7.9
349.23987	12.6
351.25217	14.6
539.55225	6.2
561.37714	38.0
623.43091	14.4
641.44086	15.2
659.45007	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	659.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	35.9
63.96067	1.6
67.05500	2.7
70.19672	7.9
71.95258	2.5
79.05476	2.3
81.07044	2.3
91.05459	2.0
95.08620	2.2
98.20882	2.4
141.02249	2.2
146.99649	2.8
149.02345	5.2
171.03209	2.7
178.45564	2.1
185.04720	2.3
187.02821	2.6
189.04309	2.0
193.05170	2.3
199.06462	2.1
203.05820	2.6
217.07408	3.7
227.09547	1.8
231.08989	2.4
235.06380	1.9
237.07816	2.0
239.09584	3.9
241.91565	1.6
249.08083	2.0
251.09579	4.6
253.11131	2.1
255.09116	3.4
257.10565	2.6
259.10092	2.0
263.09625	5.0
265.11041	2.6
268.20880	1.7
269.10648	3.5
277.11081	15.0
279.12714	3.9
281.10587	11.0
283.12109	2.1
291.12775	2.1
295.12152	6.1
297.13828	1.8
299.11639	4.7
313.14731	2.0
322.81622	1.7
328.68683	1.9
331.15775	49.5
349.16861	100.0
350.16992	2.8
367.17920	96.8
372.18521	10.5
385.19034	5.0
390.19510	19.6
592.09833	3.2
659.37952	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	659.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08460	1.2
55.05510	3.2
56.96293	2.7
56.96564	38.9
57.03445	1.6
60.68082	1.3
67.05486	7.4
69.07070	3.0
69.29478	10.2
69.29894	4.9
71.95268	4.6
79.05482	7.6
81.03417	1.7
81.07070	8.3
83.08625	2.2
87.84299	1.2
91.05479	7.5
93.07030	7.1
95.04974	2.0
95.08610	6.2
96.76661	1.5
97.06540	1.7
98.21471	2.7
105.07020	7.7
107.08577	4.4
109.06541	1.6
109.10152	3.7
113.58989	1.8
117.06946	1.5
117.16398	1.3
119.08567	3.2
121.10167	2.1
123.08149	1.6
126.41902	1.2
128.98640	3.1
129.06943	1.4
131.08614	2.1
133.10139	4.5
135.11682	1.4
140.31242	1.4
145.10162	2.5
146.99677	4.3
149.13342	1.4
155.03783	2.6
157.01776	1.9
163.49223	1.4
165.00847	1.4
171.03328	4.5
175.02908	1.5
176.24240	1.3
185.04825	4.1
189.04324	7.3
195.06909	2.3
199.06369	7.3
203.05948	9.2
211.06413	3.9
211.51768	1.3
213.07965	18.4
217.07428	14.6
225.08008	7.4
227.09500	3.1
229.07518	4.7
231.06891	2.9
231.09042	27.9
236.09497	1.9
237.08044	3.9
239.09473	6.5
243.09096	10.8
245.10640	4.1
247.08582	3.1
249.08070	4.0
251.09409	12.2
255.09073	21.4
257.10614	5.6
259.12177	1.7
266.10980	1.4
267.09006	27.0
269.10596	100.0
273.10068	17.7
275.20041	5.8
278.10571	2.8
280.09698	1.7
280.67667	1.3
285.10089	42.8
287.11642	49.8
290.10599	3.6
292.12137	13.9
296.11807	1.9
303.11115	5.4
308.11655	4.4
310.13330	4.2
331.15750	7.7
349.16837	31.6
349.23615	2.6
367.17926	92.4
372.18536	2.0
385.18939	16.9
390.19528	16.0
462.29480	2.1
463.23764	4.5
463.29727	1.5
561.30731	7.0
561.38257	2.8
659.38196	26.2
660.38800	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.5
56.96299	2.3
56.96561	40.5
57.03407	1.1
62.80460	1.2
67.05499	5.3
69.07060	2.4
69.83665	0.9
71.58721	1.6
71.59089	1.2
71.95255	3.8
72.96030	1.9
74.97596	2.1
76.37649	1.0
79.05465	4.3
81.03415	1.9
81.07048	5.1
83.04987	1.2
83.08622	1.3
85.02879	1.5
91.05450	3.8
93.07040	2.6
95.04958	2.5
95.08585	2.1
97.06539	1.5
97.96853	1.1
105.07048	3.1
107.08571	1.2
109.10132	1.3
119.08565	2.2
121.10139	1.4
128.98619	2.7
131.08545	2.2
133.10078	1.2
137.02751	1.5
146.99661	5.4
147.11624	1.4
155.03801	4.1
159.03204	1.1
161.01190	1.5
161.04802	1.2
165.00752	1.3
173.04831	3.1
181.05263	1.3
183.06879	1.9
185.04784	2.7
193.03711	1.1
195.06900	3.8
197.08324	1.4
199.06384	10.3
201.07948	4.2
203.05919	4.7
205.07446	2.1
207.85930	1.1
210.02104	1.4
211.06389	7.8
213.07965	37.6
215.05872	1.6
215.09534	1.7
217.07451	18.2
219.08965	5.2
223.02853	1.1
223.06392	1.1
223.08479	1.6
225.07988	3.8
229.07460	72.9
231.09027	66.2
236.09567	4.0
240.09174	1.3
241.07416	1.7
243.09012	24.2
245.10486	1.7
247.08516	71.6
248.09004	1.3
249.10092	1.6
252.09154	8.1
254.10600	5.2
261.07458	1.7
261.10098	22.6
266.10666	1.8
267.12759	1.3
270.10074	3.8
275.19983	1.8
284.11893	1.3
313.14621	1.8
331.15796	11.9
349.16833	100.0
350.17480	1.4
367.17905	95.6
368.18182	2.4
372.18500	2.9
383.17108	1.3
385.18909	6.3
390.19501	23.9
391.19666	1.5
521.27679	6.4
561.37836	1.7
659.38312	32.5
660.38306	1.5
665.18848	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.8
55.01875	5.9
55.05513	13.8
57.03436	22.9
61.02926	80.8
65.03938	2.0
67.05502	41.3
69.03429	32.5
69.07063	11.7
70.65450	6.0
71.01352	2.8
71.04992	7.4
71.08594	2.2
73.02924	27.0
73.03320	3.2
77.37748	1.8
77.77911	1.4
79.05492	32.6
81.03412	26.2
81.07056	43.1
83.04964	7.3
83.08623	6.2
85.02903	100.0
87.04466	3.5
88.07668	2.2
88.83773	2.1
91.03957	58.7
91.05477	20.6
93.07040	31.6
95.04962	6.2
95.08611	33.8
97.02893	75.7
97.06538	3.9
97.10158	4.0
99.04433	10.7
99.08059	1.9
99.55122	1.9
101.02372	6.7
103.03928	6.5
105.07038	12.8
107.04947	3.3
107.08591	19.3
109.02880	10.3
109.06531	5.1
109.10152	15.2
111.04440	3.3
115.03932	6.9
117.05482	2.0
117.07007	4.9
119.08589	11.5
121.06484	2.5
121.10149	15.8
123.08059	3.0
123.11715	3.0
125.09611	2.4
127.03915	31.3
129.05467	5.0
129.06995	5.0
131.08565	11.1
133.10161	13.3
135.08026	2.9
135.11685	11.3
137.09538	2.1
137.13246	3.1
143.08636	2.6
145.04936	22.4
145.10117	11.7
147.11694	5.9
149.02361	3.6
149.09593	3.1
149.13280	8.8
157.10074	2.3
159.11710	6.0
161.13310	2.6
163.06015	8.1
163.14816	4.3
169.10100	2.1
171.11624	2.3
173.13290	6.1
175.14847	1.8
177.12830	2.3
177.16574	1.8
179.14346	2.6
182.44389	1.6
183.06552	4.8
187.14832	2.9
193.04921	3.3
201.07578	5.2
215.98900	1.7
243.21094	5.0
259.20514	2.8
261.22156	17.2
275.19971	6.0
277.21768	2.5
293.20953	1.9
333.24271	2.0
335.25790	54.7
336.26300	2.0
349.23807	5.0
363.25430	2.9
443.28012	3.8
461.29111	2.8
479.30139	4.0
561.37744	4.4
659.35754	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	659.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.6
57.03405	1.1
58.67011	0.3
62.27450	0.4
65.03902	1.6
68.99753	0.6
69.03387	1.3
69.57354	1.1
69.57777	2.2
71.01322	1.8
73.02921	3.9
83.01313	0.5
85.02445	0.7
85.02906	9.5
91.05507	0.8
93.03408	0.8
93.79925	0.4
95.01285	1.2
97.02882	0.7
98.70443	0.3
99.00768	0.6
101.02340	0.6
103.03910	0.8
109.02869	0.5
111.00790	1.0
111.03717	0.5
111.04440	7.4
113.02383	3.0
119.99264	0.5
121.02837	1.7
123.04411	1.0
127.03870	0.8
131.03409	2.7
135.04369	0.7
137.01370	0.7
137.02342	10.5
137.03342	0.5
139.03900	17.7
141.01781	1.8
145.02791	0.6
149.02309	0.6
153.01805	4.5
159.02882	1.1
161.02295	0.5
161.05989	0.5
163.03917	2.2
165.01790	2.1
181.04956	3.6
182.90921	0.4
183.02916	0.8
187.03905	0.7
191.03401	0.5
197.76923	0.4
201.05434	1.7
203.03400	0.7
205.01364	0.9
205.04819	0.5
207.02904	0.5
213.05460	0.6
217.01314	1.0
221.04245	0.4
227.65642	0.4
229.05022	4.4
231.02858	0.7
237.34972	0.4
239.03429	0.5
241.04993	0.7
247.06046	1.1
253.04991	0.8
257.04446	3.4
269.04398	0.8
273.04004	0.9
274.04739	0.8
281.04568	0.6
285.03870	1.8
299.05618	1.3
302.04254	0.6
303.04987	100.0
304.05261	2.0
313.03424	0.7
315.04889	0.7
327.04950	0.6
329.02747	1.4
329.06549	3.3
331.04587	1.6
347.03851	3.7
355.04529	5.2
373.05515	1.7
377.06424	0.6
405.06223	0.6
423.07047	10.5
447.06934	0.6
465.08179	6.0
483.09235	66.5
484.09949	2.0
516.87292	0.5
616.98920	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.4
57.03425	0.6
65.03932	1.0
67.01872	0.3
68.42277	0.3
68.99786	0.8
69.03419	0.6
70.06603	0.4
71.01349	1.4
71.04682	0.4
73.02919	2.6
75.09453	0.3
85.02429	0.5
85.02905	7.0
91.05478	0.5
93.03391	0.5
93.07051	0.3
95.01316	0.7
95.04940	0.3
97.02856	0.7
99.00809	0.3
101.74009	0.3
103.03928	0.4
103.22783	0.3
104.79661	0.3
108.08076	0.4
109.02878	0.5
111.00778	1.0
111.03703	0.6
111.04440	6.5
113.02375	1.5
121.02869	0.8
123.04428	1.6
124.07646	0.4
127.03931	0.5
131.03401	1.8
136.07581	0.8
137.02321	3.0
137.05954	0.4
139.03900	13.2
141.01801	0.9
149.02377	0.5
153.01831	5.6
154.08649	2.3
159.02832	0.7
161.05981	0.5
162.05507	0.3
163.03925	0.8
165.01854	1.6
177.05380	0.4
178.71794	0.3
181.04953	5.7
183.02940	0.5
187.61520	0.3
201.05504	0.9
203.03513	0.3
211.80086	0.3
213.05400	0.4
215.03548	0.3
229.04938	2.7
247.06094	0.5
253.04861	0.4
257.04395	1.9
265.04904	0.3
274.04681	0.8
285.03925	0.9
303.04987	100.0
304.05331	2.5
313.03384	0.4
319.04395	2.0
327.04953	0.5
329.03033	0.4
329.06519	2.3
331.04660	0.4
335.03879	0.7
343.04395	0.5
355.04449	3.5
373.05698	2.1
397.21503	0.4
405.05954	0.5
419.07617	0.6
423.07144	1.7
437.08667	0.9
447.07153	0.8
465.08249	3.0
483.09003	1.1
483.23340	1.6
605.26160	0.3
659.22833	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09458	0.8
55.05497	3.0
56.19486	0.7
57.07074	51.7
67.05500	2.0
69.07064	6.2
71.05000	0.8
71.08628	48.1
71.32677	1.7
73.06561	7.1
79.05474	1.3
81.07047	1.4
83.08614	2.6
85.10181	30.6
87.04462	10.0
89.06027	100.0
91.07587	0.8
93.07043	1.2
97.10149	2.8
99.11707	6.9
106.62987	0.8
107.07066	4.2
111.11712	3.1
113.13287	5.7
116.70723	0.8
117.09140	8.4
125.13257	3.1
127.14812	3.9
130.08632	3.6
131.07028	3.6
133.08597	70.3
135.10150	1.4
161.11719	2.0
175.09633	3.0
177.11227	27.0
183.21017	1.3
221.13885	4.9
223.15193	0.8
227.23518	0.9
239.14940	2.0
247.68420	0.9
255.48431	1.0
271.26251	3.1
277.48608	0.7
283.17508	2.6
293.21106	2.3
315.28915	3.2
327.20282	1.1
371.22641	0.9
421.35519	1.0
442.38785	0.9
459.27948	3.7
561.37714	3.2
641.48151	3.4
658.50354	2.4
685.68970	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49689	1.9
53.81722	1.9
55.01859	3.9
55.05497	8.8
56.68650	2.6
57.03439	13.4
57.07077	4.6
58.82730	1.8
63.52158	2.1
67.05504	35.7
69.03423	3.6
69.07076	12.9
70.06573	8.3
70.65575	6.8
71.05001	4.0
71.08617	1.9
79.02065	2.0
79.05493	29.2
81.03416	49.4
81.07058	42.2
83.04975	5.8
83.08599	15.0
85.02909	3.3
85.06525	2.3
88.07628	8.0
91.05478	23.3
93.07043	35.1
94.13049	2.3
95.04971	20.4
95.08605	12.6
97.02927	2.8
97.06539	5.4
97.10160	2.0
102.09182	8.1
103.38905	2.2
105.07015	13.9
106.07266	1.7
107.04973	4.0
107.08591	20.0
109.06490	4.3
109.10155	5.0
111.08079	7.3
113.86306	2.2
117.07005	6.7
119.08588	11.9
121.06480	3.9
121.10151	12.7
129.07018	7.5
131.08539	14.7
133.10097	7.0
135.11694	5.5
142.07668	3.1
143.08495	2.3
147.08115	2.6
147.11664	4.8
149.02342	16.3
149.09575	5.5
149.13255	16.5
157.10117	5.9
159.11687	8.3
175.11172	6.4
177.12787	2.9
193.04988	21.0
193.12228	11.8
195.13766	4.1
199.62508	2.3
237.07545	6.6
249.14870	2.4
256.26328	18.2
267.15915	56.8
269.17477	61.2
275.20029	4.9
291.19714	3.3
292.19858	5.0
341.06601	4.7
385.09003	8.1
429.11871	11.2
435.27429	3.4
461.28995	100.0
503.29886	4.0
504.99966	2.3
658.35785	30.6
658.45496	4.3
689.78412	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.6
55.01865	3.6
55.05519	8.4
55.42759	1.2
57.03440	5.8
57.07070	10.5
58.89835	1.1
59.04989	2.8
61.02925	4.8
65.03936	1.6
67.05511	1.6
68.76851	1.3
68.99788	4.3
69.03432	20.0
69.07070	52.6
71.01362	2.5
71.04997	3.8
71.08642	6.2
71.38723	2.1
73.02899	4.2
73.06557	10.0
78.45534	1.2
79.05499	2.8
81.03413	16.9
81.07072	2.0
83.04987	3.3
83.08621	2.7
85.02907	100.0
85.10179	4.7
87.00833	24.5
88.01512	1.1
89.06036	22.2
90.30128	1.2
91.05472	3.7
93.07037	3.0
95.01329	4.5
95.04978	2.3
95.08595	2.9
97.02896	25.3
97.10187	1.6
99.04458	7.3
100.44535	1.5
103.03934	2.3
105.01862	42.9
105.07024	2.8
107.04959	2.9
107.08624	1.4
109.02879	20.0
109.10167	1.9
111.04439	2.6
111.11720	74.2
113.02380	2.0
115.05485	2.2
119.04956	1.8
121.06535	1.4
123.04432	3.9
125.02361	1.9
127.03919	41.1
129.01810	3.2
129.12756	78.2
130.13095	1.6
133.06468	1.5
133.10124	1.2
135.04440	1.6
137.05986	3.3
137.57599	1.1
139.03870	1.4
141.01810	14.7
143.10687	1.7
145.04976	14.2
145.06102	1.5
145.06476	1.2
149.06009	1.4
149.44162	1.2
151.03882	2.4
153.01848	1.6
153.05498	1.4
156.49048	1.4
159.02887	7.9
159.04060	1.3
161.28056	1.2
163.03867	1.2
163.58920	1.1
167.07091	3.0
169.04965	1.6
173.04503	1.9
177.03929	1.9
181.04924	8.8
184.07237	1.3
189.03906	2.8
199.16924	18.7
213.03911	6.2
215.35121	1.4
217.17992	19.4
231.05011	18.9
243.05034	1.5
249.06026	6.7
257.50589	1.2
261.06064	2.1
273.06058	5.5
285.06039	3.1
377.18210	1.3
389.07254	2.3
398.74753	1.4
403.14029	1.4
407.08484	1.7
415.13797	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	0.7
53.03938	1.1
55.01865	1.8
57.03440	0.8
58.30466	0.7
61.02919	1.4
64.61333	0.6
67.05497	1.1
68.99776	1.7
69.03429	3.6
70.06586	1.4
70.94496	0.7
71.58932	0.6
71.59331	1.0
73.02909	0.8
77.98127	0.6
79.05487	3.3
81.03397	2.7
81.07044	1.8
85.02905	10.7
86.09707	1.0
91.03942	0.9
91.05453	3.4
93.07044	2.6
95.04961	3.8
95.08606	1.5
97.02905	4.3
99.04439	1.0
103.05479	3.4
105.07035	8.0
107.04955	40.8
107.08557	1.2
109.02867	1.6
109.06515	1.6
111.04450	0.7
115.05447	1.8
117.07010	2.3
119.04959	1.0
121.06524	3.7
123.04395	3.8
123.11674	0.7
124.05207	0.8
125.06017	1.1
127.03901	2.5
131.04906	2.3
132.05722	0.6
133.06485	18.2
134.03612	1.1
135.04436	1.1
135.05437	0.7
135.08052	25.2
137.05981	19.0
139.03889	1.4
139.07526	2.3
145.02792	0.8
145.04953	2.4
145.06459	2.6
147.04428	3.2
147.08058	1.8
148.05196	25.3
149.05972	1.3
151.03883	0.9
151.07515	2.0
152.04684	1.2
153.01923	0.8
153.05414	2.1
159.08165	1.1
161.05986	20.3
163.03886	8.6
163.07539	63.6
164.08052	0.7
164.42136	0.7
165.06802	0.8
165.09108	2.1
167.07039	11.2
168.07408	0.7
173.06020	0.8
175.07539	2.8
177.05429	1.7
177.09093	1.9
178.06247	45.9
179.06847	2.1
181.04968	2.1
181.08598	2.5
186.20540	0.7
187.07536	1.8
190.06194	1.0
193.08604	28.0
205.08562	2.0
207.10118	2.6
214.06236	1.1
217.08545	0.8
225.09035	1.1
229.08618	1.0
235.09714	1.6
253.08601	2.5
270.08804	2.1
285.11172	2.0
302.11520	0.8
303.05066	0.7
303.12216	2.1
317.13824	100.0
318.14175	2.9
329.13736	1.3
341.13892	1.9
359.14844	3.5
383.14948	3.7
443.16986	1.6
461.17822	1.4
530.83899	0.7
583.14594	0.8
628.21661	0.8
640.23590	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14130	2.7
53.03944	9.0
54.53821	2.6
55.01867	23.9
55.05511	43.0
57.03440	17.3
57.07066	4.9
63.29101	3.2
65.03934	5.6
67.05507	100.0
69.03429	9.4
69.07065	47.7
71.04990	7.2
71.67567	2.6
79.05063	6.0
79.05495	88.1
79.05968	4.7
81.03407	18.7
81.07053	89.8
83.04987	14.9
83.08611	21.7
85.06577	6.9
85.55373	2.8
91.05481	73.3
93.07045	65.8
93.56800	2.7
95.04970	42.9
95.08604	57.8
97.02901	6.3
97.06536	26.8
97.10179	12.7
99.08098	3.3
103.05447	5.1
105.07032	75.3
107.04954	34.5
107.08596	50.0
109.06516	22.7
109.10158	26.5
111.08089	9.0
112.05196	3.2
113.05988	9.8
113.75418	3.3
115.05497	5.2
117.07012	34.6
119.08591	44.9
121.05750	2.9
121.06470	15.2
121.10152	17.8
123.04403	3.4
123.08051	14.7
123.11726	5.3
125.09634	14.5
128.06230	4.4
129.07007	17.2
131.08575	31.7
133.06500	6.9
133.10127	30.0
135.08054	18.9
135.11681	17.6
137.13210	2.8
139.11147	3.2
139.46541	3.0
141.06999	6.1
143.08549	19.8
145.06497	9.5
145.10110	26.1
147.08014	13.5
147.11696	21.0
149.09605	18.8
149.13281	10.1
151.11169	6.4
152.28256	2.8
155.08557	7.7
157.10104	17.2
159.08043	4.4
159.11697	25.7
161.09621	12.6
161.13286	12.9
163.11153	17.9
167.08482	3.9
169.10139	9.8
171.11716	16.3
173.09700	5.1
173.13254	14.8
175.11186	7.9
175.14825	5.2
177.12753	10.1
179.14384	5.3
181.10211	5.6
183.11740	9.9
185.13304	10.8
187.11224	7.0
189.11208	7.3
189.12766	3.4
195.11739	4.6
195.13766	3.8
197.13269	6.5
201.12805	3.9
209.13361	4.8
211.14938	3.6
217.16154	4.2
217.53845	2.9
223.13348	7.9
227.12787	15.6
229.19525	5.5
241.14305	5.1
257.19016	11.4
259.20612	6.0
273.18533	27.8
275.20071	55.2
277.21750	5.2
279.15933	10.9
289.18060	3.2
291.19540	77.4
293.21085	6.2
298.99954	3.1
327.12418	3.8
333.24289	8.6
344.94693	3.8
347.22311	8.5
349.23749	20.1
365.23181	15.1
381.22754	3.7
461.28989	3.9
545.38031	4.7
547.37720	4.2
559.36566	7.9
565.39056	5.3
583.40039	3.8
621.41876	6.7
623.43268	5.4
639.42499	45.6
641.48285	3.0
657.43762	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	657.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	10.5
55.01860	19.9
55.05509	31.6
57.03440	22.8
65.03918	7.8
67.05506	100.0
69.03410	7.8
69.07076	31.7
71.05000	5.5
72.85316	4.6
79.05054	6.9
79.05489	68.4
81.03403	12.1
81.07050	76.7
83.04974	12.1
83.08610	14.8
85.06536	6.5
91.05478	73.0
93.07040	65.8
95.04962	36.1
95.08606	45.3
97.02866	6.0
97.06529	19.3
97.10153	10.6
98.20696	10.6
105.07035	57.8
107.04969	26.4
107.05590	4.9
107.08588	41.9
109.06521	19.8
109.10169	28.3
111.04392	7.7
111.08111	10.8
113.06045	10.3
117.07016	31.6
119.08578	38.0
121.06483	12.1
121.10182	25.4
121.10893	5.6
123.08058	13.7
129.07013	11.9
131.08559	42.6
133.06451	10.4
133.10118	35.9
135.08058	15.6
135.11659	13.7
137.09618	8.9
139.11143	4.5
143.08589	15.7
145.06438	7.1
145.10118	36.1
147.08026	9.7
147.11642	15.8
149.09608	14.2
149.13281	7.4
151.11227	8.1
155.08545	10.0
157.10112	16.4
159.08136	6.9
159.11662	21.3
161.09666	10.6
161.13295	12.0
163.11145	7.5
169.10104	12.2
171.11653	13.4
173.13257	18.7
175.14737	5.5
177.12666	9.2
179.14339	5.8
181.10103	6.8
183.11719	5.8
185.13310	10.0
187.11221	6.6
199.14874	6.0
219.17471	5.0
227.12758	5.3
229.69528	5.2
233.15140	5.7
253.14319	6.0
257.19052	5.3
259.20660	5.3
273.18475	17.1
275.20016	28.8
291.19595	42.9
333.24265	15.5
338.27652	4.8
347.22000	8.2
349.23712	12.6
365.23331	8.8
376.82309	4.3
565.38806	5.4
621.41681	5.1
623.42535	6.6
639.43213	23.4
657.21320	13.0
657.43262	39.3
658.22424	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	657.436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	2.6
53.03947	8.8
55.01869	21.5
55.05516	40.3
57.03440	24.0
57.07057	5.0
59.04989	3.4
65.03934	6.3
67.05508	100.0
67.05878	5.0
69.03423	7.4
69.07075	39.7
70.86705	2.7
71.04993	7.7
71.08628	3.3
79.05495	79.0
81.03432	14.4
81.07057	94.3
83.04987	14.4
83.08618	19.5
85.02894	3.1
85.06533	9.3
91.05485	74.5
93.07043	64.8
95.04970	41.6
95.08611	51.3
95.93283	2.5
97.02896	8.1
97.06540	18.8
97.10184	14.7
98.20746	4.4
99.08082	6.3
105.07034	65.5
107.04967	33.4
107.08608	43.8
109.06523	24.0
109.10144	24.4
109.70831	2.7
111.04421	3.2
111.08100	9.0
113.05992	10.4
115.05461	7.4
117.07032	32.9
119.08575	41.7
121.06512	15.1
121.10152	22.4
123.08070	11.9
123.11716	5.1
125.09625	12.9
128.06233	7.0
129.06989	17.7
131.08572	38.2
133.06490	11.7
133.10136	31.2
135.08084	13.1
135.11685	16.7
137.09605	6.2
138.81874	3.0
139.11214	4.2
141.06999	7.6
143.08559	20.4
145.06531	8.7
145.10136	30.3
147.08060	10.5
147.11714	19.2
149.05983	4.7
149.09622	16.5
149.13284	11.3
151.11145	4.6
155.08566	9.8
157.10081	13.0
159.08067	7.8
159.11707	21.5
161.09622	11.6
161.13268	11.5
163.11200	10.8
163.14790	2.8
167.08548	3.5
168.09474	2.7
169.10162	13.7
171.11700	9.3
173.09676	4.1
173.13268	7.2
175.11205	9.5
175.14851	7.0
176.56949	2.5
177.12738	8.2
179.14305	6.2
181.10132	6.4
183.11713	7.9
185.09587	4.2
185.13315	10.6
187.11183	8.3
187.14825	6.4
189.11237	7.0
189.12816	3.8
191.14343	2.8
193.10049	3.0
195.11757	7.9
195.13586	2.8
197.13289	6.8
199.11296	4.1
199.14876	3.6
211.14877	3.6
223.13182	4.3
223.15070	3.8
225.12843	3.4
225.16312	3.7
227.12766	9.0
229.14212	3.6
233.15460	4.1
239.17946	6.2
241.14308	4.9
257.18921	9.7
259.20773	6.1
273.18524	24.2
275.20056	39.7
277.21649	3.5
279.15997	5.3
291.16534	4.6
291.19583	64.8
293.21039	4.2
325.25400	3.0
333.24191	6.4
347.22293	6.8
348.80557	2.9
349.23718	22.6
365.23178	13.8
381.22748	4.3
431.29584	3.7
545.38281	4.0
559.36572	7.8
559.71985	2.9
565.38293	3.6
581.37964	3.2
583.39978	3.0
611.39319	3.4
621.41321	5.0
623.42310	5.5
639.42639	36.6
657.33813	3.0
657.43872	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	657.1295
Annotation	Gossypetin 3-glucuronide-8-glucoside
Peak:m/z	Relative Intensity
55.01862	0.4
57.03437	0.3
66.92824	0.3
68.99789	1.2
69.03419	1.3
69.55590	1.7
70.06559	0.3
70.16866	0.2
71.01349	0.5
73.02908	0.9
73.82055	0.3
80.35474	0.2
81.03413	0.7
85.02904	5.7
95.01341	0.7
97.02876	1.8
99.00843	0.2
109.02863	1.1
111.00814	2.1
113.02361	0.8
119.88519	0.2
120.08105	0.3
125.33884	0.3
127.03925	1.5
129.10159	0.2
131.03389	0.9
133.02820	0.3
137.02353	1.8
141.01860	1.8
145.04938	0.7
153.00565	0.5
153.01819	11.4
154.02174	0.8
159.02910	0.3
161.05957	0.4
165.01840	3.3
166.02594	0.4
177.05434	0.5
179.03363	1.6
183.02916	0.8
189.05507	0.7
193.01492	0.2
195.02892	0.9
197.53122	0.2
203.03419	0.6
207.02936	0.7
217.04997	2.6
221.04448	0.3
227.03395	0.3
231.01080	0.3
235.02336	0.3
245.04442	3.9
255.02956	0.7
263.05487	0.7
273.03918	4.8
290.04160	1.4
291.05005	0.3
301.03391	0.8
319.04471	100.0
320.05054	1.3
366.83658	0.3
405.15964	0.5
408.07532	0.3
409.07526	0.6
427.53989	0.3
477.06619	0.8
481.09744	10.5
495.07587	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
53.89656	1.2
55.01867	3.5
55.05510	26.3
57.03432	4.2
59.04991	1.3
61.02929	2.0
65.03954	1.4
67.05506	21.2
69.03429	4.8
69.07076	7.2
69.29764	14.1
76.40515	1.4
79.05498	18.4
81.03417	5.8
81.07053	23.0
83.05000	3.3
83.08628	14.1
85.02908	4.2
85.06519	1.3
91.05479	19.4
93.07064	10.0
95.04977	4.9
95.08593	7.0
97.02934	1.6
97.06514	2.9
97.10168	27.5
98.21454	2.8
103.05460	9.5
105.07029	16.2
105.07674	1.5
107.04967	4.0
107.08603	12.9
109.06528	3.8
109.10180	3.5
111.08092	2.0
115.05442	7.1
117.07013	33.4
119.08559	9.8
121.06503	2.3
121.10159	3.7
123.08093	1.9
125.09620	25.3
128.06256	2.0
129.07008	13.8
131.04973	1.4
131.08560	20.8
133.06491	5.6
133.10141	6.0
135.08031	6.6
135.55995	1.5
141.07019	7.5
143.08549	6.9
145.06512	5.9
145.10130	7.9
147.08113	3.6
147.11703	2.3
149.09621	3.0
153.09114	2.5
155.08585	8.7
157.06516	3.3
157.10156	3.9
159.08040	4.1
159.11688	3.2
163.11238	1.5
167.08577	1.9
169.10121	6.4
171.08057	2.3
171.10312	1.8
171.11697	5.2
173.09662	1.8
173.13202	1.9
175.11240	1.8
179.08620	1.6
181.10156	2.3
182.11009	2.1
183.11676	1.9
185.09439	1.2
185.13368	2.4
187.14830	5.9
189.11224	12.7
195.11778	2.1
197.09695	1.5
197.13301	9.5
213.12701	2.9
215.14311	37.0
227.12718	18.4
237.12561	1.6
245.13809	1.5
255.13675	1.5
269.15344	1.8
271.16995	3.4
339.23282	3.2
349.21695	5.5
367.22754	14.0
385.23712	8.3
403.24728	3.0
423.25262	2.0
441.26364	50.3
459.27423	100.0
460.27875	3.6
477.28320	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	655.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.7
55.01868	8.8
55.05261	2.5
55.05511	28.4
57.03432	13.6
58.69215	1.9
59.05008	4.1
65.03934	3.9
67.05505	66.3
67.05877	3.1
69.03426	24.4
69.07074	15.5
69.99113	11.3
71.01354	2.3
71.04995	56.3
72.46946	2.0
73.02911	2.0
79.05495	46.7
79.05968	2.8
79.06447	1.9
81.03417	100.0
81.07059	97.6
83.04977	20.8
83.08623	23.0
84.07626	1.9
85.02904	23.3
85.06541	8.9
91.05486	67.0
92.05704	1.8
93.07044	42.4
95.04982	31.4
95.08614	18.9
95.55230	1.7
96.15759	1.8
97.02892	17.9
97.06528	13.0
97.10178	7.2
99.04464	8.4
99.08084	3.4
105.07030	37.5
105.07684	3.1
107.04963	10.2
107.08588	26.0
109.02889	15.4
109.06507	8.2
109.10172	14.5
111.04435	13.0
111.08086	9.7
113.06028	3.5
117.07011	10.3
119.08579	23.8
121.06512	3.8
121.10144	13.8
123.04465	3.8
123.08067	3.7
123.11693	12.6
125.09630	5.5
127.03930	11.1
129.05511	3.9
129.06984	11.7
131.04901	3.4
131.08574	17.6
133.06499	4.1
133.10133	24.9
134.04092	1.7
135.08061	3.8
135.11708	7.2
137.05943	3.1
142.07779	4.6
143.08606	2.4
145.06454	2.6
145.10138	4.7
147.08034	5.9
147.11694	23.5
149.09604	6.4
149.13268	5.9
151.11168	9.1
157.10100	12.9
159.11726	8.6
161.09648	2.7
163.03850	2.0
163.11119	2.9
165.12720	9.6
169.12189	3.2
173.04453	8.1
173.05835	2.1
173.09688	2.0
173.13329	3.3
175.11183	12.0
177.12753	6.5
183.13852	6.7
187.13303	16.7
191.10658	2.3
193.10463	2.7
193.12236	39.2
193.13870	3.3
195.13783	3.7
201.14856	3.4
211.13301	52.8
213.14868	2.2
227.12743	4.5
229.14319	3.2
235.13251	2.5
249.14706	3.4
257.17532	2.4
263.16293	2.5
267.15891	18.4
269.17487	7.0
285.17014	7.6
299.18579	3.3
301.14398	3.6
339.18021	6.8
339.21857	1.9
375.17856	2.1
377.19278	2.2
383.40787	2.0
383.86948	2.0
393.63037	1.8
395.20700	4.0
427.23413	3.0
435.27478	10.1
443.27176	2.1
451.29758	2.5
453.28470	15.8
461.28995	13.3
467.30103	13.5
479.29980	7.1
511.32532	9.0
605.33624	2.6
617.93439	2.1
623.33850	11.5
655.36774	27.1
656.37378	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	655.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.2
55.01863	15.1
55.05514	28.5
57.03444	16.9
57.07065	7.4
65.03945	3.7
67.05175	4.0
67.05507	64.2
69.03428	32.7
69.07063	15.3
70.10332	12.7
71.04993	17.4
73.02910	5.3
75.00223	2.2
79.05064	3.4
79.05495	49.8
81.03422	100.0
81.07060	53.6
83.04980	25.3
83.08616	26.0
85.02899	27.8
85.06524	4.4
91.04978	3.6
91.05484	51.9
93.07043	32.7
95.04970	40.8
95.08607	17.6
97.02894	31.8
97.06532	8.5
97.10153	12.6
99.04451	8.4
105.07037	29.9
107.04963	18.4
107.08600	21.1
109.02882	17.5
109.06516	9.3
109.10161	23.6
111.04419	17.7
111.08076	11.2
113.06042	2.6
115.03890	3.4
115.05447	5.4
115.32686	2.2
117.07029	6.8
119.08578	27.0
121.06493	7.1
121.10111	11.7
123.04449	5.7
123.08124	3.7
123.11688	5.3
125.09602	10.6
126.89120	2.3
127.03947	14.3
129.05508	4.8
129.07027	12.7
131.04898	4.3
131.08556	20.7
133.06482	3.7
133.10146	16.9
135.04382	3.1
135.11671	3.6
137.05948	4.6
137.09599	3.5
142.07777	3.8
143.08531	4.3
143.10602	2.6
145.06477	2.7
145.10086	6.3
147.04349	2.6
147.08023	5.0
147.11682	16.6
149.09625	10.3
153.05473	3.3
157.10086	14.3
159.11789	3.1
163.11166	13.2
165.12723	4.7
171.06560	3.1
171.08052	2.4
173.04474	7.3
173.11821	3.1
175.11174	14.5
177.12831	4.3
181.12236	3.6
189.11238	3.9
191.10669	5.2
193.12241	38.0
209.11696	7.8
211.13307	36.7
227.12801	9.1
229.14345	10.5
267.15909	9.8
283.15485	4.3
285.16953	6.8
301.16528	4.1
421.25583	4.4
439.26651	6.2
443.31354	2.8
493.27673	4.3
655.32495	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	655.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54420	1.2
71.58687	1.9
76.89628	1.2
84.87341	1.1
155.50163	1.2
166.82925	1.3
199.08752	1.9
200.09360	1.5
221.10648	1.6
223.12328	2.1
225.13840	2.8
237.10323	2.2
237.13695	2.7
251.08109	1.6
251.11833	1.8
253.09671	1.3
253.13312	2.1
263.11856	1.5
263.33234	1.5
265.13425	2.4
269.12759	2.6
314.12888	1.6
393.18085	1.3
403.15137	1.6
417.16907	1.8
418.17252	1.7
433.20444	3.1
446.17230	2.2
447.17654	4.1
447.22052	4.6
461.19672	4.8
475.21466	15.3
476.21979	5.2
477.22638	4.3
491.20706	1.7
503.20282	3.5
533.22241	2.4
535.22931	7.5
547.23065	1.9
549.24567	2.5
562.25665	3.6
563.26636	8.4
579.25903	4.4
590.25208	4.6
593.26996	2.8
594.28467	6.9
595.25690	7.3
605.23914	3.5
607.25476	1.6
609.26965	4.6
610.26617	2.0
622.27820	100.0
623.25256	5.6
627.28369	3.0
637.26550	4.0
638.26587	3.4
655.27722	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	655.1866
Annotation	Syringetin 3-robinobioside
Peak:m/z	Relative Intensity
51.88197	0.4
53.03925	0.5
53.21984	0.4
55.01852	0.6
57.03429	1.8
60.20287	0.4
61.02910	0.7
69.03422	1.3
70.06577	1.2
71.01904	0.4
71.04992	13.3
71.58128	0.6
75.04488	0.7
81.03413	0.9
83.04982	0.5
84.04924	0.5
85.02903	16.8
95.73196	0.5
97.02892	2.2
99.04472	0.5
107.04971	0.7
109.02888	0.6
111.00816	0.4
111.04423	0.7
121.02860	0.8
126.11140	0.4
126.99255	0.4
127.03896	1.1
129.05475	3.1
137.02333	0.9
137.05981	0.6
139.03889	3.2
145.04976	0.6
152.73975	0.5
153.01833	5.4
153.05481	2.6
154.06175	0.7
165.01846	2.6
167.07024	1.1
181.04906	1.4
183.02837	0.8
195.02858	0.7
207.03021	0.4
207.06433	0.9
213.05460	0.7
219.10246	0.5
229.04950	0.9
231.06604	0.5
232.03506	0.5
241.04959	0.7
244.03755	1.3
245.04309	0.8
257.04538	0.8
258.05200	4.6
259.06088	2.3
261.04013	0.7
269.04446	1.9
284.03250	0.6
285.03940	1.5
286.04697	4.1
287.05484	7.3
289.03561	0.9
291.08603	1.2
303.05084	1.7
313.03558	0.7
314.04263	0.9
315.04974	2.8
316.05783	0.6
317.02585	0.6
318.07367	0.9
331.04532	5.2
332.05252	2.0
347.07605	100.0
348.07907	2.0
582.50299	0.6
655.22937	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.4
52.35981	0.3
54.17845	0.3
56.98243	0.3
69.03415	0.9
69.30965	3.2
79.01839	1.9
81.03421	1.7
85.02882	1.0
89.01317	0.3
93.20894	0.3
97.02888	2.2
98.21524	0.6
107.01287	0.5
108.04496	0.5
109.02877	1.0
125.02328	2.1
127.03907	1.1
143.03386	4.1
149.02356	0.5
153.01823	100.0
154.02170	1.1
167.03380	0.5
171.02936	0.6
195.02890	9.3
221.04329	0.5
245.04543	0.4
249.03972	1.3
282.41983	0.3
297.06079	2.2
303.05106	0.3
305.02893	14.6
306.03119	0.3
315.06961	0.6
319.04337	0.6
323.03909	1.2
415.06433	0.5
449.07059	1.2
467.08139	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	0.4
67.01855	0.6
68.89181	0.2
68.99783	0.7
69.03411	0.4
71.58920	0.4
71.83640	0.2
73.02866	0.2
79.05441	0.2
81.03410	1.2
81.07048	0.2
85.02893	0.8
85.57995	0.2
86.14060	0.2
89.03908	0.4
91.05481	4.1
97.02887	0.2
99.04374	0.2
103.05521	0.3
107.04958	0.3
109.02887	0.7
111.00778	0.2
111.04419	0.2
117.03353	0.3
119.04091	0.4
119.04945	6.2
123.04470	0.2
127.03922	0.3
131.04916	0.4
132.02066	0.3
135.04411	1.9
137.02357	1.0
137.05962	0.5
145.02849	0.2
147.04407	5.3
153.01823	6.0
157.03990	0.4
161.02243	1.2
163.07573	0.4
164.04701	0.4
167.06989	0.2
171.02870	2.7
175.03905	10.1
177.05426	0.3
179.03387	0.4
179.06961	0.5
203.03363	0.2
207.06523	24.4
208.06801	0.3
219.06604	0.3
241.04936	1.0
250.22285	0.2
269.04626	0.4
287.05493	100.0
288.05753	1.9
351.10712	2.3
369.11743	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	15.0
55.01854	7.6
55.05506	38.8
57.03419	22.1
59.68853	4.2
61.02919	4.9
67.05505	74.4
69.03409	22.0
69.07066	23.5
69.60924	4.2
71.04987	11.3
71.59554	6.2
73.67767	4.7
79.05494	95.4
81.02979	7.5
81.03423	100.0
81.07060	82.5
83.04977	39.5
83.08619	23.6
85.02896	22.2
85.74606	4.3
86.72281	5.2
91.05480	80.5
93.07046	69.1
95.04954	45.0
95.08601	34.7
97.02882	17.0
97.06544	13.4
97.10178	11.5
101.02357	5.7
105.07016	49.9
107.04935	16.4
107.08609	25.5
109.02872	11.5
109.06512	12.0
109.10159	16.5
111.04453	5.3
111.08092	13.8
115.05457	11.4
117.07011	18.3
119.08597	36.0
121.06534	8.1
121.10131	18.0
123.08065	11.7
123.11681	7.1
127.03931	12.7
129.05469	5.0
129.06993	26.9
131.08549	19.7
133.10130	24.3
135.11681	9.7
139.03894	14.6
143.08542	12.4
145.06506	9.8
145.10088	21.1
147.04413	6.0
147.08034	5.3
147.11685	38.9
148.33879	4.9
149.13275	5.6
157.10092	15.7
159.11688	5.1
161.13225	11.8
163.11200	12.0
165.12820	6.8
171.11697	21.0
175.03749	5.0
175.11246	8.7
181.12265	7.7
189.12747	7.8
193.12280	34.3
207.13771	22.3
211.13295	39.5
225.10112	9.9
227.12775	17.3
255.11220	5.1
267.15887	32.2
281.17444	57.1
283.10687	6.3
284.11450	6.7
315.13333	39.1
333.14392	55.4
334.14566	6.7
429.20853	7.9
473.29153	64.4
476.52557	5.0
491.29834	18.7
549.12598	5.0
635.34436	31.3
653.37024	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3531
Annotation	Withanoside III
Peak:m/z	Relative Intensity
53.03957	9.6
55.01871	9.0
55.05512	36.6
57.03434	14.6
57.10939	4.0
61.02894	4.3
61.58527	3.6
67.05502	70.8
67.18681	3.6
69.03429	21.3
69.07077	24.2
69.26628	40.1
70.85569	4.2
71.04986	10.8
73.02907	5.2
73.06542	5.0
79.05067	5.1
79.05495	79.1
81.03417	100.0
81.07059	64.3
83.04990	34.9
83.08615	31.4
85.02916	23.3
85.06557	6.4
91.04909	4.4
91.05479	87.5
93.07047	63.9
95.04967	49.7
95.08614	31.5
97.02897	21.2
97.06524	11.0
97.10171	9.4
101.14573	5.4
105.07037	62.6
107.04964	19.7
107.08582	33.1
109.02866	12.3
109.06543	13.6
109.10160	10.4
111.04479	10.3
111.08089	14.5
117.07018	19.7
119.08576	35.4
121.06549	5.9
121.10152	17.8
123.04389	4.4
123.08004	5.3
123.11742	5.6
127.03912	10.1
128.06163	4.9
129.05461	8.6
129.07030	24.7
131.08586	17.1
133.06517	9.2
133.10136	23.9
135.08041	5.3
135.11740	10.2
137.06012	4.9
139.03900	9.7
142.07755	5.6
143.08562	12.3
145.10133	14.2
147.04443	11.6
147.11696	43.9
149.09630	11.0
151.03931	4.2
157.10120	17.4
159.11734	4.2
161.13303	9.6
163.11136	8.2
165.09259	4.2
165.12842	4.6
171.11687	21.1
173.04410	6.5
175.11185	12.9
189.12798	10.9
193.12271	40.6
197.06143	3.8
207.13832	22.6
211.13297	50.2
223.59479	5.2
227.12709	12.0
267.15924	40.0
281.17459	50.2
285.17014	15.8
287.16339	5.6
351.18060	4.8
429.21182	13.8
473.28979	89.0
491.29938	21.5
635.34338	37.5
653.31903	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	653.3524
Annotation	Withanoside III
Peak:m/z	Relative Intensity
53.03947	15.7
55.01877	6.1
55.05508	30.1
57.03435	14.0
61.26498	5.3
67.05497	79.6
68.13286	5.5
69.03437	26.9
69.07054	8.8
71.04990	10.2
79.05489	85.2
81.03419	100.0
81.07051	68.0
83.04966	38.4
83.08622	26.1
85.02901	17.8
85.06573	5.0
91.05469	74.2
93.07045	60.5
94.71516	5.3
95.04953	45.1
95.08598	31.5
95.90233	4.7
97.02895	18.4
97.10162	4.7
104.70575	5.9
105.07018	67.5
107.04948	10.0
107.08598	16.1
109.02859	7.2
109.06520	7.8
109.10163	9.4
111.04477	8.5
111.08091	11.8
117.07029	10.2
119.08564	39.3
121.06544	5.5
121.10153	12.1
123.08041	7.1
125.09633	5.4
127.03922	12.8
129.05511	6.2
129.06961	28.2
131.08586	12.8
133.06442	4.9
133.10162	15.7
135.06892	4.9
135.08000	5.5
143.08557	13.3
145.10132	13.2
147.08047	6.3
147.11676	43.4
149.09570	8.0
151.14848	5.5
157.10100	16.4
161.13240	7.5
163.11174	8.6
171.11693	21.7
175.11250	12.9
193.12242	35.1
207.13704	28.0
211.13300	52.8
227.12816	6.9
267.15909	32.1
281.17465	59.7
285.16980	8.9
287.16342	6.4
355.17401	6.9
429.20929	12.6
473.28976	77.5
491.29922	23.7
608.84601	5.3
635.34509	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	653.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05488	1.5
69.03416	1.2
69.07057	2.0
70.06593	3.9
71.58614	1.7
81.07033	1.3
86.06060	3.6
86.09681	1.3
90.68555	1.3
94.06585	1.7
106.06573	1.9
108.08121	1.5
120.04491	1.5
120.08080	2.0
122.06044	9.3
124.07587	1.9
124.64987	1.3
136.07574	23.8
137.05966	1.3
138.05478	2.0
140.07068	12.0
146.06015	5.1
148.07558	9.5
150.09120	2.0
164.07066	48.9
166.08621	15.5
174.05478	2.8
176.07047	9.4
190.04999	2.6
209.10762	1.7
210.11508	4.6
211.12300	3.1
212.13071	1.8
217.50577	1.1
223.12296	3.5
224.13028	1.6
225.10179	1.3
225.13748	1.1
227.11835	1.7
231.13307	2.3
235.12309	1.7
236.09326	1.2
237.10179	2.7
237.13844	2.8
238.10947	6.9
239.11775	11.2
242.74153	1.2
249.10245	2.2
250.10905	2.8
251.11713	6.3
252.12538	3.2
253.13374	5.0
263.11810	3.3
264.12622	1.7
265.10568	1.4
265.13358	10.8
267.11255	1.8
269.12885	2.8
270.13654	1.9
271.14407	2.9
277.09631	2.0
278.10477	2.5
279.11261	41.6
280.11948	2.7
281.12961	1.9
283.10583	1.4
283.14499	2.6
285.12311	2.2
287.13846	9.4
291.11218	1.8
293.12674	5.6
294.13535	1.5
295.10974	1.4
296.11597	1.9
297.12311	20.3
298.13144	4.2
305.14880	1.7
309.12347	10.0
310.13126	6.5
311.13873	57.5
312.14621	10.3
313.11789	4.4
313.15460	16.4
315.13348	2.6
319.10797	2.6
321.12463	2.9
328.18521	2.3
331.13040	2.5
337.11823	24.0
338.12601	9.0
339.13431	20.6
357.14615	1.2
399.15726	1.6
400.16623	2.5
401.13492	3.1
417.16589	1.7
424.04965	1.3
452.21802	100.0
453.21893	2.2
458.16995	4.4
476.18277	5.9
478.19720	15.7
494.19513	5.9
496.20715	3.6
573.26685	2.6
575.25146	1.5
599.24805	4.0
617.26154	7.8
635.27112	22.0
653.26599	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24096	0.7
57.02615	0.8
57.97200	0.8
69.75498	5.2
70.42184	0.7
85.02901	1.0
94.06570	2.7
97.02893	1.3
106.06541	1.7
110.06019	0.8
120.08126	1.0
122.06038	4.5
123.04414	1.6
134.06003	1.0
136.07578	25.6
140.07050	7.4
146.06012	3.2
146.09526	0.9
148.07594	5.9
150.09129	1.9
151.82776	0.8
153.01810	0.9
164.07066	49.8
166.08646	11.2
174.05513	2.5
176.07039	3.3
190.04965	1.6
192.10222	1.0
209.10754	1.0
210.11526	2.4
211.12350	1.8
218.08086	1.3
221.10863	1.0
223.12279	3.6
224.13031	2.8
225.10309	1.1
225.13847	1.5
227.11739	0.9
235.39156	0.8
237.10155	2.4
237.13838	2.9
238.10999	3.6
239.11761	10.2
249.10187	1.7
250.10971	2.7
251.11757	7.6
252.12436	2.0
253.13330	4.8
255.11284	1.3
261.12305	1.2
263.11728	2.6
264.12622	1.2
265.13373	11.6
266.14124	1.3
267.11407	1.0
269.12723	2.1
271.14355	2.1
277.09586	1.2
278.10376	1.0
279.08389	1.4
279.11282	20.5
280.12079	0.9
283.14291	3.1
285.12329	1.6
287.05353	1.4
287.13815	7.6
291.11264	1.2
293.12872	5.7
294.13907	1.1
295.10751	2.1
296.11655	1.6
297.12378	10.2
300.65625	0.8
303.05054	1.6
309.12372	6.0
310.13132	4.1
311.13892	57.9
312.14651	10.6
313.11887	2.0
313.15442	8.8
315.13318	2.0
319.10556	1.3
321.12268	1.3
323.10291	0.8
323.15891	1.3
331.12845	2.2
337.07935	1.1
337.11853	16.4
338.12582	5.9
339.13367	10.0
357.14658	1.4
392.19705	0.8
399.15555	1.0
400.16504	1.7
401.13208	2.3
452.21814	100.0
458.17038	1.9
476.18121	2.7
478.19778	9.0
494.19296	3.1
496.20505	3.7
557.22998	0.9
573.27301	1.5
599.24799	3.0
617.26379	4.1
635.17529	1.0
635.27057	12.2
665.13635	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	0.8
63.07222	0.4
71.57656	0.5
74.16058	0.5
76.43488	0.5
85.02894	0.7
88.21552	0.5
97.02853	0.5
98.97590	1.1
101.00864	1.0
103.02428	1.0
113.00850	0.6
115.02424	2.2
116.98598	0.8
119.01923	5.6
121.03461	1.1
128.98610	0.5
129.03996	1.4
131.00136	1.3
131.01910	5.4
133.03471	17.0
135.04341	0.6
137.02960	1.5
141.03954	0.8
143.01888	2.8
145.03462	3.8
147.05020	3.4
149.01248	1.7
149.02959	1.4
151.04536	4.6
155.01863	5.6
157.03479	4.2
159.05029	8.5
161.02960	4.7
161.06609	0.6
163.04021	0.8
165.06068	0.7
169.03564	1.0
171.05038	6.2
173.01414	1.0
173.02954	8.5
173.04344	0.8
175.04518	4.5
177.00670	0.5
177.06070	4.3
179.01904	2.1
183.04987	5.6
185.02875	2.7
185.06592	1.8
187.04515	1.8
189.04604	0.5
189.06030	2.9
191.02158	0.8
193.03563	0.9
195.05359	0.8
195.07127	3.8
197.02985	5.8
197.06636	1.0
199.04512	0.8
201.06129	2.5
203.03978	2.4
207.05005	0.5
211.00778	0.7
211.04500	2.6
213.06142	1.4
218.06409	0.6
219.01759	0.6
219.05025	1.0
219.07149	19.7
221.05070	12.5
223.04785	0.5
224.82646	0.5
225.06084	1.3
231.07141	22.5
232.07300	0.8
233.08734	4.7
237.02859	2.1
237.06168	0.5
243.07195	0.8
245.05066	16.7
245.08786	1.0
247.06781	0.6
255.07104	6.2
258.07562	0.5
259.06705	1.5
261.08298	2.3
263.06195	1.6
273.08176	7.2
291.09204	0.8
303.09180	0.8
321.10309	100.0
322.10513	2.7
329.07153	1.5
337.08142	1.4
339.11386	8.3
342.16306	0.5
355.09100	1.0
388.22162	0.5
474.90421	0.5
491.12500	4.6
653.17603	12.1
654.17902	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.2
55.01868	4.1
55.05509	37.0
57.03441	12.5
57.07079	4.7
59.93340	3.5
61.02913	4.4
67.05501	100.0
69.03428	22.3
69.07066	17.2
71.04991	5.6
72.89777	3.6
79.05488	33.5
79.12313	3.6
81.03411	62.7
81.07058	58.0
83.04978	26.9
83.08615	19.1
85.02892	12.6
86.55009	3.7
91.05486	22.3
93.07052	27.5
95.04951	8.0
95.08602	40.1
97.02877	20.8
97.06519	5.3
97.10187	18.5
98.21532	7.5
99.04448	5.5
105.07024	25.8
107.08588	21.5
109.02875	7.6
109.10151	40.4
111.04436	9.6
117.07021	10.3
119.08591	23.3
121.10110	13.5
123.11710	5.9
124.93860	3.3
125.09637	11.6
127.03926	11.9
129.05482	6.9
129.07007	6.2
131.08531	11.0
133.10086	6.9
134.38741	3.4
135.11713	8.6
143.08568	6.7
144.68510	3.4
145.10135	10.1
147.08041	4.1
147.11635	8.4
149.13263	3.9
157.10083	7.2
159.11737	8.0
161.13248	3.6
163.14801	5.2
171.09996	4.2
171.85686	3.7
173.11745	8.9
183.11722	4.2
189.11215	15.6
227.12794	11.6
229.14314	12.5
261.22208	4.5
325.99121	3.6
327.28854	4.7
335.25745	10.7
337.27417	9.9
369.24271	6.7
371.16995	6.1
410.05643	4.0
469.23569	3.4
507.36591	4.1
633.39575	9.4
651.40515	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	651.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28644	8.2
53.01131	7.1
53.03927	11.9
55.05503	24.7
57.03446	9.2
57.07054	9.4
64.22843	7.0
67.05508	100.0
69.03416	27.7
69.07049	27.3
71.08611	11.9
71.58945	7.6
71.59312	11.1
79.05502	49.4
81.03400	62.2
81.07069	68.1
83.04951	16.7
83.08611	16.5
91.05447	27.6
93.07030	34.2
95.08595	50.2
97.02878	13.2
97.10145	20.3
105.07031	25.0
107.04989	7.8
107.08591	26.6
109.06486	10.0
109.10139	35.1
111.04428	10.8
115.28680	7.5
117.07023	8.0
119.08590	19.4
121.10107	15.9
122.70216	7.8
123.11699	7.2
125.09671	12.2
129.05499	20.6
131.08537	14.3
133.10129	12.3
135.11719	8.2
137.09637	9.0
145.10127	18.8
149.13213	7.7
171.11716	12.3
173.11658	9.3
185.13194	10.6
189.11255	11.9
229.14417	15.3
275.59671	8.0
304.30960	7.9
323.46289	10.4
337.27408	13.8
489.35455	12.8
550.69379	9.2
617.19470	9.3
651.43536	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	651.408
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44968	0.5
52.75139	0.5
54.96353	0.5
55.30877	0.5
56.85159	0.6
64.29382	0.5
66.70107	0.5
67.05527	0.6
69.26027	0.7
69.26423	6.2
116.10603	0.6
131.86327	0.6
148.17226	0.8
208.58260	0.7
266.63315	0.6
553.36945	0.6
651.40729	100.0
652.41125	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	651.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.3
55.05518	26.7
57.03419	11.4
66.29437	4.9
67.05180	5.9
67.05508	100.0
67.74107	4.5
69.03418	20.6
69.07055	17.5
71.04965	10.0
71.59369	8.7
73.69055	5.3
79.05474	30.7
81.03029	6.1
81.03420	52.1
81.07059	55.8
83.04980	16.8
83.08620	11.8
85.02901	7.1
91.05471	22.6
93.07047	39.9
95.04987	10.0
95.08605	44.0
97.02924	9.5
97.10151	18.0
105.07027	24.8
107.08578	16.0
109.02859	6.2
109.10155	46.7
111.04473	5.7
111.08056	6.7
113.61173	5.0
117.07018	10.2
119.08565	17.2
121.10142	15.3
123.08052	5.0
124.42300	5.3
125.09629	9.6
125.22712	6.4
127.03908	9.2
129.05466	11.0
129.06995	12.0
131.08531	16.1
133.10162	8.8
135.11726	10.0
141.07040	5.4
145.10118	8.3
147.07990	7.1
147.11699	9.8
157.10194	5.4
159.11713	10.3
169.10123	6.3
173.11731	14.1
173.13173	5.5
189.11224	13.9
227.12735	11.1
229.14317	26.7
235.48810	5.3
236.28889	4.7
369.24222	14.9
371.16910	8.5
414.68076	6.6
633.39380	13.1
651.41339	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	651.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	2.1
65.03928	1.9
67.05482	2.4
69.03416	1.6
69.07059	1.3
69.49790	9.5
69.50198	1.7
78.08987	1.3
79.05466	3.8
81.03403	3.8
81.07043	2.8
82.06564	3.2
85.02888	1.6
85.06523	1.4
91.05479	3.7
93.07017	2.7
93.41830	1.2
94.06564	4.0
95.04968	4.0
95.08585	1.8
97.02889	2.1
103.05476	2.3
105.07045	2.4
106.06527	3.7
107.04944	1.5
107.08598	1.9
108.08137	2.1
119.08591	2.7
120.08106	1.9
121.06526	1.7
121.10162	1.4
122.06039	3.2
123.04424	1.9
124.07600	17.7
131.08636	1.5
133.10112	1.8
134.05986	2.3
136.07581	21.0
137.05981	2.3
139.03905	3.5
140.07037	3.2
146.06049	5.8
146.09666	1.4
147.04399	2.1
148.07565	8.8
150.05479	1.2
152.07086	3.8
159.08052	1.7
164.07063	37.8
166.07367	2.1
166.08640	23.4
167.07016	2.4
174.05490	5.4
176.07076	12.7
190.05049	3.4
191.05707	2.3
192.06566	1.7
197.10818	1.5
209.10826	1.5
210.11499	3.2
211.12294	2.9
220.16946	1.3
223.12265	4.4
224.12999	2.4
225.10269	2.7
225.13850	1.6
227.11598	2.8
235.12225	2.6
236.09265	1.6
236.12897	1.6
237.10172	5.8
237.13823	1.5
238.10962	9.9
239.11772	13.2
240.12183	2.6
245.12886	3.2
247.12447	1.5
248.16422	1.8
249.10175	2.9
250.11044	3.2
251.11719	10.3
252.12448	2.4
253.13426	6.3
263.11719	8.6
263.14063	1.5
264.08859	1.9
265.09940	3.0
265.13348	18.3
266.13998	2.0
267.11392	3.2
267.15707	2.0
269.12830	8.1
271.14340	6.4
277.09818	2.3
277.13208	2.6
278.10529	3.4
279.11282	77.9
280.11960	5.5
281.12766	2.6
282.13821	1.6
283.10919	2.0
283.14444	3.8
287.13855	7.1
291.11295	3.9
293.12875	8.9
295.10669	4.2
295.13919	1.4
296.11514	3.4
297.12329	34.4
297.15698	2.0
298.13318	6.5
299.13721	4.2
305.15024	2.3
309.12308	25.8
310.13110	13.2
311.13882	53.6
312.14624	9.7
313.15454	4.3
315.13358	2.9
319.10574	2.7
321.12320	7.7
323.15878	1.4
324.10931	1.4
325.11871	2.3
330.15927	1.8
337.11792	56.5
338.12585	19.6
339.13406	42.4
340.14420	1.9
355.13022	1.7
356.13596	1.2
357.14401	3.0
358.15280	1.3
369.14471	5.8
370.15167	2.0
371.15762	6.6
388.16180	1.7
398.14981	1.5
399.15741	4.1
400.16629	4.4
401.13416	4.5
417.16660	1.7
418.17377	2.4
430.17444	1.6
432.19278	2.3
434.16739	2.2
436.22336	100.0
458.17145	6.1
459.17581	1.9
459.26852	1.5
462.20218	28.9
466.18488	1.5
476.18369	9.0
480.21161	4.6
494.18491	4.2
494.22940	7.4
495.19843	3.0
527.22034	1.5
528.22296	2.8
532.31738	1.9
559.25067	3.9
569.35284	2.0
575.28619	1.6
583.25800	9.5
601.26630	16.0
601.36322	2.4
619.27612	42.0
651.29486	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	649.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.6
55.01860	2.6
55.05512	21.0
57.03428	5.3
57.07065	1.9
57.50478	1.9
61.02900	5.2
63.60219	2.1
65.03921	3.0
67.05505	53.3
69.03418	10.4
69.07063	8.9
69.31037	3.1
69.31432	20.5
71.04991	5.0
73.02924	3.6
79.05495	22.0
79.20540	2.1
81.03425	19.8
81.07061	26.1
83.04974	6.6
83.08617	8.4
85.02903	6.8
85.06558	2.2
91.05494	24.0
93.07043	27.4
95.04961	9.8
95.08598	14.1
97.02875	10.9
97.06529	3.2
97.10163	8.8
105.07031	19.7
107.08566	15.2
109.02878	3.2
109.06519	2.3
109.10162	26.2
111.04392	3.3
111.08081	3.0
117.07032	12.9
119.08569	16.1
121.10129	8.7
123.08015	2.4
125.09633	6.3
127.03937	5.2
129.07021	5.5
131.08572	15.0
133.10120	12.1
135.08060	3.7
135.11682	5.1
137.09581	3.5
142.07832	2.1
143.08525	7.7
145.10085	14.8
147.11707	6.4
149.09621	3.5
149.13327	3.5
155.08574	5.3
155.10771	2.5
157.10152	9.0
159.11679	10.5
161.13260	7.4
167.08511	3.1
169.10172	5.0
171.08084	2.4
171.11690	10.4
173.09718	3.7
173.11743	6.5
173.13330	6.3
183.11661	6.4
185.13432	4.8
187.11252	2.5
187.14891	2.8
189.11259	5.6
195.11703	2.3
197.13246	4.8
213.09099	2.1
227.12741	4.9
229.14430	6.6
259.20624	5.6
266.01010	2.0
271.20648	2.7
283.15384	2.5
283.20773	2.8
301.21606	2.7
333.20618	3.6
333.24445	3.3
339.17993	3.2
373.18759	5.0
385.23752	4.5
389.22971	5.0
487.34271	37.0
583.27954	2.2
595.36584	6.6
613.37415	6.2
631.38489	9.6
649.26422	10.8
649.39197	100.0
650.39673	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	649.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	14.6
53.47143	3.9
55.01868	12.2
55.05512	22.0
57.03436	8.7
65.03946	4.1
65.40903	4.0
67.05503	66.7
69.03429	18.3
69.07065	17.7
69.91547	20.3
71.04996	7.3
71.83554	3.8
79.05495	100.0
81.03416	35.3
81.06631	6.9
81.07064	61.2
83.04984	27.2
83.08643	7.5
85.02908	16.6
85.06532	5.0
90.94338	3.5
90.98220	4.0
91.05485	99.3
93.07044	91.8
95.04967	46.2
95.08612	45.5
97.02908	6.4
97.06547	9.5
98.21475	4.8
105.06386	6.0
105.07036	69.5
107.04965	11.7
107.08592	26.0
109.02888	6.5
109.06496	10.2
109.10128	5.8
111.08089	5.4
115.05441	8.7
117.07030	23.1
119.08570	33.6
121.06474	6.0
121.10159	12.3
123.04436	4.1
123.08096	10.4
127.03886	3.9
128.06229	13.3
129.07011	32.7
131.05046	5.1
131.08629	19.9
131.09413	3.7
133.06516	9.9
133.10143	17.3
133.92462	3.8
135.08076	9.5
141.06953	7.0
143.08559	19.9
145.06503	5.9
145.10129	16.7
147.08070	6.3
147.11679	40.5
155.08598	7.8
157.06435	4.8
157.10167	8.2
159.08073	9.5
159.11681	4.9
161.09639	11.9
161.13258	16.7
171.08107	6.6
171.11710	38.1
173.04506	10.5
185.13263	5.1
189.12741	20.9
193.04979	6.8
207.12022	7.8
207.13754	36.9
209.13332	4.8
215.73677	4.5
225.14902	7.9
241.15839	5.6
269.15356	11.2
281.17453	54.0
287.16501	13.4
487.30478	35.0
501.32312	6.7
529.31464	5.2
567.33179	7.4
613.34210	5.0
631.34747	5.7
649.38361	13.0
649.50696	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	15.5
55.01873	6.7
55.05508	35.0
57.03419	11.4
57.07058	8.4
58.31621	3.5
61.81473	3.8
65.03933	3.6
67.05505	78.5
69.03433	17.3
69.07061	21.4
70.06576	13.1
71.01352	3.6
71.04980	11.7
79.05493	100.0
81.03419	45.1
81.07060	63.7
83.04982	26.6
83.08605	10.0
85.02896	15.8
86.09695	9.9
88.07623	11.4
90.76751	3.6
91.04900	5.1
91.05476	96.3
93.07040	92.9
95.04970	42.6
95.08598	43.0
97.02888	10.2
97.06492	10.1
97.10185	7.2
99.04462	4.9
99.79382	3.6
102.09170	5.5
105.07030	66.4
107.04948	17.0
107.08572	24.0
109.02879	10.9
109.06502	12.1
109.10119	6.1
111.08082	6.1
115.05411	4.9
117.07013	30.3
119.08581	37.1
121.06525	8.1
121.10108	9.8
123.08028	11.8
125.00019	5.2
127.03938	8.9
128.06197	9.7
129.07001	35.6
131.04938	6.2
131.08569	24.2
133.06477	14.7
133.10136	20.7
135.11752	4.9
137.06065	3.6
141.06963	6.7
143.08559	23.3
145.06429	9.9
145.10110	19.0
147.08064	7.5
147.11697	43.3
149.02307	17.3
155.08449	4.9
157.06442	5.0
157.10112	9.5
159.08058	7.4
159.11674	6.7
161.09624	9.0
161.13251	23.2
163.11171	7.8
167.08531	4.5
169.10143	6.2
171.08026	7.3
171.11671	45.6
173.04434	10.6
173.09567	4.6
173.13329	6.0
181.10104	5.5
184.07297	39.2
185.09680	4.2
187.11189	6.6
189.12682	23.2
193.04936	12.2
207.13805	50.0
223.14882	3.7
225.12756	4.3
225.14862	7.6
228.23222	5.1
233.15367	5.0
241.15889	6.1
251.14185	3.8
256.26337	5.1
259.16910	6.8
267.08932	4.9
269.15302	13.4
271.17007	6.9
281.17508	60.9
285.10202	5.3
287.16388	16.8
305.17648	4.4
307.67010	3.7
317.17651	4.9
333.17029	5.3
389.19931	4.5
425.21503	6.4
487.30481	37.6
631.34088	7.8
649.38214	7.5
649.51208	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	649.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	13.4
55.01873	7.3
55.05508	26.6
57.03440	14.6
59.38000	2.3
63.35161	2.1
65.03938	3.0
67.05504	82.0
69.03427	26.1
69.07056	19.3
69.38835	24.4
71.04993	7.2
73.02941	3.3
79.05492	100.0
81.03423	46.7
81.07057	71.1
83.04981	21.6
83.08611	9.9
85.02894	17.6
85.06539	3.5
86.39590	2.6
91.05479	89.2
92.34352	2.6
93.07043	89.0
95.04965	42.9
95.08607	39.7
97.02875	16.5
97.06541	10.3
97.10181	5.6
99.08094	2.6
103.05465	4.4
105.04537	3.9
105.07034	59.5
106.99438	2.2
107.04958	18.8
107.08607	27.0
109.02891	9.0
109.06528	10.6
109.10159	11.0
111.04496	3.4
111.08118	3.9
115.05453	5.5
117.07023	27.0
119.08583	46.4
119.86420	2.1
121.06536	8.8
121.10126	13.5
123.04366	3.1
123.08084	12.3
127.03928	5.9
128.06218	7.9
129.07005	35.6
130.79442	2.4
131.03433	2.3
131.04959	6.4
131.08560	18.6
133.06505	8.0
133.10126	18.0
135.08047	6.4
135.11748	6.4
137.09689	3.5
141.06987	8.4
142.07787	4.1
143.08560	20.3
145.06509	10.1
145.10132	18.3
147.08069	8.4
147.11668	39.0
149.09615	4.0
155.08575	8.6
157.06581	4.1
157.10167	5.5
159.08034	8.8
159.11716	7.1
161.09612	9.7
161.13231	21.5
163.11226	4.8
169.10139	2.8
171.08105	6.2
171.11693	38.7
173.04442	5.0
173.05891	3.5
173.09665	3.3
173.13286	6.6
177.12807	3.2
179.14349	6.5
181.10201	3.8
185.09689	4.9
185.13263	5.2
187.11197	2.7
189.12752	21.9
197.13268	2.6
199.14806	2.9
201.12654	3.3
207.13797	42.6
211.11232	2.8
223.14917	3.9
225.14886	4.6
241.15790	5.9
245.15372	3.6
251.14476	2.9
257.15308	3.0
259.16925	3.2
269.15335	9.8
278.76593	2.5
281.17474	53.6
287.16400	20.6
305.17075	2.6
315.15933	3.7
351.18109	4.3
361.20145	3.2
407.20425	3.7
425.21674	6.7
487.30621	35.3
501.32053	5.8
531.77155	2.8
549.32324	2.7
567.33191	5.9
610.07532	2.9
631.34808	4.3
649.35986	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	647.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.8
55.01859	13.1
55.05504	16.3
56.79438	3.1
57.07069	3.6
58.68971	3.0
67.05513	32.1
68.99800	3.8
69.03433	7.9
69.07078	19.5
71.58957	6.4
74.95346	3.8
79.05502	25.2
81.03424	26.0
81.07063	43.4
83.04963	4.6
83.08641	9.1
85.02892	7.1
91.05478	41.2
93.07050	32.6
95.01320	6.2
95.04973	14.3
95.08602	27.9
97.02917	6.6
97.06523	24.6
105.07040	63.6
107.04971	15.4
107.08601	16.5
107.23930	3.7
109.02876	17.2
109.10162	5.2
116.07022	3.4
117.07030	18.0
119.08584	34.1
121.06466	5.3
121.10146	5.6
123.04420	5.3
123.08047	7.1
125.09652	5.2
127.03914	10.0
129.06960	4.3
131.08549	16.4
133.06514	4.3
133.10126	39.8
135.08049	6.7
135.11644	6.0
145.06474	5.5
145.10094	16.8
147.07941	4.0
147.11696	11.6
149.09637	7.4
157.10095	6.3
159.11673	6.9
161.13170	4.0
163.10989	3.6
165.09135	4.3
177.12740	6.2
179.14308	9.7
183.11740	4.3
187.11208	5.7
193.08580	7.4
197.13342	5.0
211.09683	10.6
217.04976	10.8
235.06105	4.2
243.23735	3.5
257.19025	12.1
275.20056	100.0
293.21237	4.9
401.23196	4.5
503.34140	4.1
522.68024	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	647.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
55.05509	1.7
57.03432	1.8
57.07061	3.4
58.13329	1.0
67.05511	6.9
69.03428	2.2
69.07038	1.4
71.59200	1.0
73.49770	0.9
79.05482	3.7
81.03409	3.7
81.07059	5.8
83.08620	1.7
85.06545	1.3
86.99711	0.9
89.06009	1.0
91.05493	4.5
93.07038	3.8
95.04976	1.0
95.08605	2.5
97.02920	1.6
97.06510	1.2
105.07005	4.7
107.04953	2.3
107.08572	1.9
109.06520	1.7
109.10129	2.4
117.07011	1.8
119.08544	4.3
121.06531	0.9
121.10136	1.5
123.04463	1.0
127.03894	1.5
129.07024	1.5
131.08569	2.0
133.10155	1.6
135.08080	1.9
139.03911	1.7
142.22484	0.8
145.10153	1.7
147.08173	1.3
151.03909	1.4
157.10172	1.0
159.11794	1.2
163.03958	2.1
163.07489	1.1
165.09117	0.9
173.11942	1.2
193.08556	0.9
205.08586	5.3
211.09718	1.1
223.09656	2.6
225.61583	0.8
229.08614	1.1
271.13281	1.0
275.20111	3.6
317.17386	2.2
331.18976	2.0
429.26154	1.9
485.28305	1.5
647.33966	100.0
648.34210	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	647.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.37438	0.4
67.05503	2.0
69.03427	0.5
69.07085	0.4
69.38175	1.0
69.38586	3.5
79.05493	0.9
81.03429	0.9
81.07055	1.4
83.04972	0.6
85.02953	0.5
87.84069	0.4
91.05492	1.3
93.07053	1.6
95.04996	0.6
95.08624	1.3
105.06998	1.0
107.08594	0.9
109.02879	0.5
109.10160	1.7
117.07057	1.1
119.08563	0.8
121.10152	0.8
131.08600	0.7
133.10144	1.0
135.11617	0.5
143.08577	0.9
143.98149	0.4
145.10201	1.0
146.64343	0.4
149.09630	0.6
151.07617	0.4
152.96413	0.4
159.11693	0.6
166.02873	0.4
173.34445	0.4
181.68121	0.4
196.71300	0.4
219.12003	0.4
238.73317	0.4
243.08360	0.7
257.19061	0.7
275.20062	0.6
338.55832	0.5
429.26141	1.6
463.37143	0.4
485.28271	2.4
647.33997	100.0
648.34344	7.9
670.71326	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34621	1.2
56.56256	1.0
69.92794	4.2
98.20921	2.4
98.21444	1.1
100.17151	1.1
115.02438	1.5
117.03359	1.3
119.01920	7.7
127.03866	1.2
131.01923	5.3
133.03467	17.2
137.02982	1.3
143.01903	3.9
145.03575	2.4
147.05052	3.4
149.02963	1.3
151.04529	5.6
153.55783	1.3
155.01906	7.2
157.03491	4.1
159.05026	7.2
161.03059	5.8
161.04140	1.3
163.04218	1.7
165.06058	1.8
169.03485	1.1
171.05009	6.1
173.02946	9.6
175.04546	5.3
177.00725	1.6
177.05602	4.0
183.05063	6.1
185.02982	3.0
185.06596	2.3
187.04582	2.8
189.06120	5.5
195.07135	3.1
197.02991	4.7
201.06075	5.0
203.04048	3.6
203.05872	2.1
211.04510	2.2
213.06126	1.5
219.07146	18.9
221.05092	10.4
225.06099	3.3
231.07126	21.4
231.09204	2.0
233.08655	5.8
237.02704	2.0
243.18062	1.2
244.08122	1.3
245.05092	20.3
247.04710	2.4
255.07173	6.6
261.08221	1.8
263.06165	1.6
273.08090	7.9
291.09192	3.6
295.06674	1.3
303.09341	1.6
321.10300	100.0
322.10556	1.8
323.09952	1.8
339.11447	8.0
353.10980	2.0
362.31967	1.3
515.16223	21.3
647.16302	1.6
655.48297	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4697
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	1.6
65.51868	0.5
66.44519	0.6
67.05502	0.7
71.08630	1.2
71.49220	0.7
77.61002	0.5
81.07050	1.4
85.10188	0.9
95.08591	1.1
98.72945	0.6
253.20770	0.5
313.27698	0.7
333.20355	8.0
389.22952	6.4
559.39972	2.6
645.46967	100.0
646.47412	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	646.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86132	0.5
90.22295	0.5
162.05956	0.6
229.69528	0.8
250.19711	0.5
380.88513	0.5
384.20453	0.5
401.17548	1.2
403.19357	1.8
405.20898	0.7
415.19534	0.9
416.20166	1.3
417.20953	2.1
418.21616	1.6
429.17102	2.3
430.17572	1.0
431.17963	3.2
431.23672	0.7
432.23248	0.8
433.23859	4.9
443.18680	1.0
444.18927	3.7
445.19922	6.1
458.21170	0.7
459.21753	38.6
460.22507	7.8
461.23477	5.5
470.19879	1.3
472.21353	0.7
473.23468	1.9
476.22385	0.7
487.21173	0.9
487.25171	1.0
505.25970	1.8
517.22614	0.9
519.23560	6.8
524.59094	0.6
531.23816	2.4
532.23981	0.6
546.26172	1.7
547.27014	22.8
548.27515	1.6
563.26520	1.1
574.25726	2.5
576.23462	1.2
586.28894	0.7
591.26080	2.5
606.28339	100.0
607.28662	6.6
608.61768	0.6
617.26239	0.9
646.30597	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	645.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	5.6
70.63996	6.3
71.16885	9.5
91.05495	7.7
93.07021	13.9
93.42437	5.7
94.06562	18.8
95.04976	6.2
95.07343	10.3
96.08105	20.5
99.12251	5.1
106.06571	9.5
108.08097	33.7
110.09676	39.6
120.08131	36.7
122.06020	17.0
124.07578	15.5
136.07573	58.2
136.32263	5.1
138.09146	57.4
144.04359	6.2
146.05963	16.7
148.07571	31.6
150.09105	10.1
152.07045	39.3
164.07060	16.5
166.08623	73.3
172.03973	26.7
190.04976	24.5
198.11438	11.6
204.06557	32.5
210.11453	7.7
211.12259	17.4
212.13071	10.0
213.10205	6.6
223.12305	14.9
225.10255	20.8
226.11009	18.6
227.11778	12.1
235.08400	6.4
237.10207	27.5
238.10980	24.3
239.11734	38.7
249.10191	14.6
250.11018	12.6
251.11807	34.5
252.12515	6.2
253.09821	9.4
253.13361	15.3
255.11391	9.1
256.12051	13.3
262.10995	14.7
263.11737	33.4
264.08682	13.6
264.12036	5.8
265.09720	18.2
265.13284	16.2
266.10464	25.8
267.11276	53.3
268.11844	6.9
269.12839	16.3
271.14322	12.9
273.12421	10.1
277.09460	7.1
278.10333	13.6
279.11279	78.8
280.11948	11.5
281.12805	17.8
283.10672	16.9
284.11554	24.1
285.12338	86.8
287.14029	7.6
291.11273	19.7
292.11896	7.4
293.09860	6.9
293.12894	22.2
295.10843	11.3
296.11624	17.3
297.12332	100.0
298.13034	9.1
299.13791	13.0
309.12323	59.3
311.10138	18.5
311.13861	15.1
312.11017	11.9
319.10794	13.9
321.12375	41.8
323.10278	28.0
325.11819	36.7
327.13428	45.6
337.11740	89.2
339.13400	13.9
343.12796	9.3
357.14334	8.7
359.16068	9.1
369.14575	12.7
371.15833	8.8
376.20038	8.9
379.21445	11.9
386.14645	6.6
388.20761	6.4
402.18381	7.8
404.19608	10.2
420.19406	5.9
422.20526	7.2
430.17459	22.1
432.19003	15.2
442.17438	9.8
446.20490	16.0
448.18631	69.9
449.19357	63.3
450.20313	49.9
460.18625	56.4
461.19305	6.2
462.20258	6.0
474.20215	14.6
476.18347	21.1
477.18872	21.7
478.19611	33.1
479.20313	10.1
480.21347	7.4
490.19800	90.9
491.20068	19.8
492.21307	51.6
493.21921	9.4
522.22955	25.3
523.23004	21.8
524.23175	11.5
595.25128	23.1
601.28137	6.7
613.26550	92.1
645.29724	7.4
652.07440	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	645.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
71.29697	15.2
95.77719	7.2
167.31421	6.8
169.95190	8.0
247.70964	7.7
312.14261	7.1
317.48352	7.4
346.63055	7.9
459.21683	29.9
530.07562	7.1
547.26855	14.1
606.28180	100.0
645.26587	39.6
646.26465	10.1
674.40393	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	644.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11026	0.9
55.01862	0.9
55.05497	2.3
57.07072	19.9
67.05504	5.8
68.05817	1.4
69.07073	4.8
70.65204	2.4
71.08630	18.3
73.06558	3.9
79.05492	4.5
79.83337	0.8
80.05771	0.9
81.03429	1.0
81.07052	6.3
82.07403	1.1
83.04979	0.9
83.08591	1.7
85.10181	10.2
87.04464	9.4
89.06030	100.0
91.05469	1.7
92.05858	0.9
93.07046	4.4
94.07366	1.0
95.04969	1.0
95.08610	2.3
97.06509	1.1
97.10164	1.9
99.08097	1.5
99.11708	2.5
105.07053	1.7
107.07056	4.2
107.08611	2.6
109.10178	1.4
111.11720	1.3
113.13297	2.2
117.06990	1.0
117.09116	3.5
120.08868	0.8
130.08630	3.7
131.07045	2.5
133.08600	72.2
134.08904	1.3
135.11688	1.0
137.90894	0.7
175.09732	1.5
177.11220	28.6
221.12062	0.7
221.13805	4.6
239.14925	1.7
257.24799	1.8
265.19012	0.9
277.21606	2.4
278.21973	2.5
283.17514	2.7
327.20007	1.8
328.87570	0.9
335.45142	0.8
371.22797	1.7
401.05051	0.8
415.25314	2.0
459.27979	12.2
546.38611	7.7
547.38800	0.9
627.46997	1.2
644.49078	1.4
651.09778	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	3.1
56.96546	2.8
70.06573	3.9
71.58073	2.1
77.13583	1.9
81.03387	3.3
81.12672	1.9
85.02914	3.7
93.07047	2.8
97.02889	2.8
98.97575	5.7
104.92434	2.4
116.98636	6.6
128.98630	2.2
134.99673	4.4
137.05988	7.0
143.00200	2.3
146.70764	2.1
153.01773	2.6
160.99187	3.8
161.01291	2.9
167.07050	6.5
177.00838	2.6
177.83641	2.5
179.00114	17.0
181.04984	2.8
191.07077	5.3
197.01205	64.3
197.02934	3.9
198.01839	2.5
215.02222	26.8
219.01727	2.7
226.33989	2.3
245.01263	2.9
263.02197	10.6
279.05441	3.6
297.06470	5.8
316.06213	10.7
331.08371	4.3
334.07214	4.0
349.72418	2.2
382.07358	4.3
397.10010	8.1
400.08273	33.5
415.10678	60.9
418.09314	20.6
423.09732	5.8
433.11423	12.3
438.12268	5.3
439.10715	9.8
457.11795	12.3
475.44543	2.4
511.12866	5.7
559.15021	26.4
586.13593	2.4
601.16534	74.0
602.16455	4.6
645.15784	100.0
646.16681	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	644.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83123	0.8
55.05503	3.0
57.03431	4.3
61.02935	5.5
64.28417	0.8
67.05509	8.1
69.03410	1.4
69.07084	4.1
69.28085	0.8
70.27166	3.5
71.04991	1.6
73.02894	2.7
79.05492	4.3
81.03414	1.5
81.07058	29.8
83.04974	3.0
83.08614	3.6
84.04472	0.9
85.02900	8.2
85.06542	2.0
91.03953	5.8
91.05488	7.6
91.24085	0.8
93.07074	4.4
95.04984	2.4
95.08605	6.5
97.02879	3.7
97.06514	3.0
99.04456	1.1
99.08095	2.4
101.05996	1.1
105.07028	15.7
107.08590	5.7
109.06484	1.9
111.04453	1.6
117.05472	1.7
119.04884	1.0
119.08576	12.8
121.10138	10.1
123.04433	1.5
123.08070	2.1
123.11707	13.9
125.06062	0.9
127.03880	1.8
127.07551	2.1
129.06961	1.2
132.05817	1.0
133.10060	1.3
137.05992	2.4
137.13213	1.0
139.03885	2.4
143.08627	0.9
145.04948	1.8
147.11684	36.7
157.10112	1.5
163.03926	0.9
163.06023	2.7
165.12744	18.7
167.07025	2.7
174.01866	0.8
175.11206	1.7
177.05531	1.3
181.04912	2.8
183.13748	0.9
186.78375	1.0
187.11234	1.0
191.07030	2.7
193.12312	1.1
229.14427	5.0
267.15915	26.3
268.16275	1.3
285.16956	100.0
286.17365	3.2
287.05441	3.1
288.05838	1.6
447.22430	4.7
507.65271	1.0
519.86652	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.7
55.01865	5.3
55.05511	30.0
57.03427	11.0
57.07066	3.3
65.03933	4.9
67.05504	81.7
69.07061	29.9
69.56774	2.4
71.04983	5.2
71.08665	2.7
79.05488	66.3
81.03401	5.1
81.07053	100.0
83.04980	8.1
83.08606	17.5
85.06506	4.1
91.05480	71.1
93.07043	68.2
95.04982	13.1
95.08604	56.0
97.06544	9.1
97.10165	8.5
99.08083	4.9
101.48331	3.0
103.05450	2.6
105.07027	72.3
107.04941	9.2
107.08585	36.6
109.06505	13.0
109.10149	34.8
111.08067	5.4
113.06006	2.7
117.07007	23.7
119.08572	64.1
121.06493	6.1
121.10146	27.8
123.08049	8.9
123.11720	14.7
125.09628	6.3
129.06960	15.0
130.07849	2.8
131.08575	38.9
133.10107	46.4
135.08041	6.9
135.11678	21.2
136.05127	2.6
137.09610	6.1
141.06987	4.0
142.07748	5.5
143.08537	16.5
145.10101	26.5
147.11679	46.2
149.09706	6.1
149.13275	12.9
151.11179	5.0
155.08574	3.5
157.10152	15.5
159.11717	26.8
161.09602	4.3
161.13258	30.0
163.11180	7.2
163.14806	5.5
165.12772	6.8
169.10136	5.7
171.11674	16.5
173.13200	17.8
175.11180	3.8
175.14799	15.8
177.12708	3.7
183.11745	5.3
185.13249	11.1
187.14862	6.8
191.14288	3.2
193.61362	2.6
197.13225	5.5
199.14876	7.8
201.12735	3.7
213.16388	4.8
215.17998	3.1
217.19626	3.1
231.21053	5.9
237.16319	3.0
239.17751	4.5
241.19530	31.2
243.21112	3.8
247.20711	2.9
257.19009	10.7
259.17938	5.5
259.20532	46.8
274.32907	2.6
275.20062	45.4
276.20224	3.2
277.21497	7.9
291.19711	2.7
293.21069	8.8
315.23141	4.1
325.95724	2.7
333.24255	37.4
335.25803	9.1
349.23743	8.1
351.24951	3.5
367.24820	20.5
515.37732	3.9
527.37292	4.7
533.39783	5.4
545.38257	11.6
551.40900	5.5
607.43408	9.2
625.44293	18.6
643.45551	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	643.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24918	2.5
53.03944	6.5
55.01877	11.9
55.05510	33.7
56.17297	2.6
56.40755	2.7
57.03438	7.6
57.07080	6.5
57.52135	2.5
58.78453	2.6
59.42311	2.5
65.03956	4.3
67.05503	81.9
69.03433	5.5
69.07068	29.9
71.04974	7.8
71.08630	3.4
79.05495	70.0
81.03407	5.1
81.07054	100.0
83.04985	11.1
83.08617	24.5
85.06546	4.2
91.05481	61.5
93.07047	66.6
95.04964	15.2
95.08600	50.2
95.09171	4.5
97.06523	12.9
97.10185	6.3
99.08116	7.0
105.07030	59.9
107.04957	10.2
107.08592	39.6
109.06500	13.1
109.10146	23.9
111.08108	6.5
114.55077	2.6
115.05518	5.1
117.07038	20.5
119.08575	49.8
120.08944	3.3
121.06533	5.8
121.10149	31.3
123.08024	13.4
123.11737	8.4
123.63526	2.7
125.09661	2.9
129.06990	15.5
131.08572	29.4
133.10147	46.7
135.08035	6.2
135.10750	3.8
135.11653	19.9
137.09637	3.2
139.11203	3.0
141.07063	3.3
143.08585	10.5
145.10115	28.9
145.25549	3.1
147.08072	3.1
147.11681	33.5
149.09636	10.6
149.13277	11.9
151.11171	8.3
152.99944	2.8
155.08577	6.7
157.10147	14.6
159.11699	26.8
161.13246	23.7
163.11194	4.5
163.14804	5.3
165.12802	3.8
169.10158	6.3
171.11729	10.9
173.11980	3.2
173.13260	14.4
175.11249	4.2
175.14830	11.0
177.12776	4.5
183.11707	8.0
185.13281	11.5
187.14876	6.3
197.13226	4.6
199.14828	6.2
201.16409	3.9
229.19519	3.6
239.17984	4.8
241.19559	19.9
243.21097	3.9
255.17389	3.1
257.18997	8.8
259.20541	33.8
261.22058	3.8
263.20145	6.2
273.18500	5.9
275.20099	33.2
277.21747	6.7
289.21710	4.2
291.19385	3.8
293.21109	8.4
315.23175	3.6
333.24350	23.4
335.25778	7.2
349.23734	5.6
350.89941	2.8
351.25516	7.3
365.22949	3.2
367.24771	11.3
441.19302	4.6
468.18219	3.7
469.18658	6.5
481.14679	4.5
497.17883	5.9
503.37054	4.2
513.35876	3.6
515.38019	4.0
527.37244	4.1
533.39771	3.7
545.38269	11.5
551.40344	4.2
555.22711	3.7
583.21967	33.5
584.21838	9.3
607.43262	9.8
625.44403	29.1
643.23773	15.7
643.45239	10.8
644.24536	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	643.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80233	1.6
53.03949	3.7
55.01869	13.5
55.05509	26.3
57.03185	2.9
57.03437	30.5
57.07050	2.0
61.67137	1.8
65.03936	7.6
67.05505	87.2
69.03427	4.7
69.07066	13.2
69.88885	11.3
71.04982	4.3
79.05494	61.1
81.03423	2.0
81.07058	56.1
83.04965	6.3
83.08600	5.5
85.06541	17.0
89.93266	1.9
91.05476	50.9
91.06015	3.5
93.07043	52.0
95.04965	60.4
95.08608	34.1
95.09172	3.0
97.06509	9.3
97.10167	4.1
99.08083	2.7
103.05473	2.5
105.07029	32.4
107.04970	10.6
107.08594	28.0
109.06519	75.9
109.10151	10.5
113.06010	37.0
115.05476	3.1
116.06250	2.9
117.07002	17.6
119.08581	18.8
121.06526	6.4
121.10136	11.9
123.08034	4.8
129.07008	10.9
131.08572	19.4
133.06476	4.7
133.10156	13.4
135.08051	51.5
135.11717	11.6
137.09641	2.2
141.06992	3.8
143.08577	9.1
145.10146	14.4
147.08069	7.9
147.11696	5.2
149.09602	9.2
149.13300	4.9
157.10104	6.9
159.08107	2.9
159.11717	7.9
161.09592	10.9
161.13284	3.7
163.11145	4.1
171.11691	4.0
173.13293	5.1
175.11234	3.2
177.12807	3.1
183.11728	3.5
185.13263	3.0
187.11156	1.9
199.14807	2.7
201.12926	1.7
217.15907	14.3
233.15349	3.0
245.18947	4.3
255.17528	5.1
273.18481	33.3
291.19547	100.0
335.25797	38.8
347.22107	5.8
365.23309	9.8
534.81598	2.0
575.03229	2.0
607.43402	4.1
625.44427	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	643.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.6
55.01876	12.1
55.05503	20.9
57.03434	27.6
57.07069	3.6
61.08232	2.5
65.03930	6.6
67.05504	84.3
69.03400	3.2
69.07069	16.8
71.04966	3.1
71.45019	2.0
71.50894	5.7
79.05492	56.0
80.05824	3.2
81.03423	6.0
81.07058	52.2
83.04977	3.3
83.08622	7.6
85.06535	15.8
89.06023	4.2
91.05474	47.9
93.07040	43.5
95.04960	61.0
95.08603	33.1
97.06551	4.2
97.10169	4.2
99.04466	3.4
103.05427	2.9
105.07029	27.6
107.04958	12.1
107.08588	29.9
107.89587	2.8
109.06516	69.0
109.10168	10.4
111.08075	4.5
113.06002	40.5
115.05444	3.2
117.07018	14.1
119.08562	20.2
121.06528	7.2
121.10146	13.8
123.08103	4.7
125.09624	5.0
129.06973	6.2
131.08549	17.8
133.06453	3.5
133.10117	14.1
135.08055	59.6
135.11690	11.1
137.09631	3.8
143.08540	8.4
145.10138	16.6
147.08064	5.8
147.11679	7.6
149.09608	7.5
149.13213	5.9
151.11209	2.8
155.08588	3.6
157.10129	6.7
159.11708	11.0
161.09599	9.8
161.13226	3.1
163.11269	4.0
169.10210	3.4
171.11664	4.7
173.13277	8.0
175.11247	3.3
177.12772	4.8
183.11674	3.6
185.13304	4.6
199.14821	6.7
216.15242	2.4
217.15944	16.4
223.84862	2.4
259.20593	3.2
261.22162	2.5
273.18463	44.2
275.20200	3.2
277.21481	2.8
291.19525	100.0
292.19800	3.7
335.25754	39.1
336.25864	2.8
347.22223	4.1
365.23193	10.3
575.59583	2.6
607.43463	5.0
625.35352	4.0
625.44604	29.4
643.45355	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30199	0.9
55.05498	0.9
67.05510	2.0
69.07057	1.0
69.26973	4.8
69.27401	5.5
79.05487	1.2
81.07047	1.7
91.05482	2.1
93.07057	1.1
105.07014	1.5
121.06564	1.0
149.82350	0.9
153.42221	0.9
227.19794	0.9
470.60184	1.2
643.25232	100.0
644.25598	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	643.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.5
55.01864	9.2
55.05512	23.2
57.03434	30.1
57.07060	3.6
65.03941	5.8
67.05505	82.8
69.03429	3.2
69.07070	14.9
69.38254	18.9
69.38679	9.3
71.04974	7.0
71.56843	2.8
79.05490	61.0
81.03417	6.8
81.07052	58.5
83.04983	3.6
83.08612	9.9
85.06529	17.1
89.06019	3.2
91.05477	48.8
93.07041	50.2
95.04968	62.5
95.08607	39.2
97.06510	7.3
97.10152	2.9
98.20757	5.7
105.07040	29.7
107.04968	12.3
107.08597	31.1
109.06512	72.7
109.10147	11.3
111.08058	3.6
113.06004	39.4
115.05491	3.5
117.07031	17.7
119.08583	19.1
121.06520	5.4
121.10159	18.2
123.08072	5.3
123.11732	6.1
126.17535	2.6
129.07008	8.9
131.08589	21.1
133.10143	15.3
135.07092	5.2
135.08052	50.0
135.11658	13.9
137.09691	2.4
143.08543	10.5
144.54489	2.6
145.10097	14.9
147.08049	6.2
147.11708	4.7
147.32079	2.7
149.09625	5.2
149.13257	6.4
155.08481	3.6
157.10114	6.5
159.11691	8.1
161.09604	8.1
161.13205	3.2
169.10101	2.8
171.11664	6.8
173.13280	6.4
175.11206	4.0
177.12689	4.6
179.14357	5.2
185.13301	4.3
195.13853	4.2
199.14825	4.9
201.12761	3.2
217.15865	18.8
245.19055	3.5
255.17508	3.5
261.22003	3.2
273.18497	41.2
277.21591	3.8
291.19525	100.0
292.19843	5.2
294.72952	2.8
335.25790	37.7
347.22128	6.6
365.23218	7.8
385.15634	2.7
472.42886	2.8
523.52716	3.1
532.53259	3.7
539.31580	3.2
545.38031	4.9
607.43512	6.6
625.44354	23.6
643.45441	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	643.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65532	1.3
53.03951	1.5
55.01878	1.5
55.05511	4.9
57.03434	1.6
67.05504	12.1
69.07063	5.1
69.24374	11.3
69.24776	2.8
71.08636	2.0
79.05501	9.0
81.07065	11.9
83.08617	2.3
91.05494	8.9
93.07040	12.1
95.04957	4.2
95.08589	7.4
97.06517	3.5
105.07030	5.5
107.08591	5.7
109.10144	2.2
117.07034	2.2
119.08587	5.0
121.06509	1.5
121.10163	2.5
123.13126	1.2
131.08595	2.8
133.10117	4.9
135.11703	3.3
143.08598	1.4
145.10095	2.1
149.13199	1.6
159.11728	2.3
160.45193	1.3
179.14308	2.3
257.18857	1.4
275.20068	4.1
276.20596	1.4
277.21619	5.5
293.21130	1.9
308.13971	1.5
349.24106	1.7
351.25443	1.7
352.43124	1.4
378.61258	1.5
384.71039	1.6
402.19388	1.4
410.13663	3.4
411.14505	4.1
425.16254	9.1
426.16833	5.7
438.13004	1.8
439.13617	7.8
440.13562	2.0
440.18771	2.4
441.19281	26.8
442.19632	3.0
452.15045	2.2
453.15421	8.4
454.16095	3.1
467.17224	18.3
468.18015	8.7
469.18857	9.7
481.14896	13.3
482.15598	3.9
495.16452	1.8
496.17218	10.7
527.22766	1.8
545.38733	6.7
555.22327	22.5
556.22974	1.8
583.21881	100.0
584.21735	7.0
615.24353	6.3
625.44244	3.2
643.23932	16.4
643.44061	1.8
644.23456	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46468	0.9
53.85753	1.0
66.92222	1.1
67.05491	1.5
70.02384	5.3
79.05515	1.1
81.07043	1.8
89.00543	1.0
93.07063	1.9
105.07032	1.3
107.98360	0.9
133.10159	1.6
218.55878	1.1
224.73572	1.1
244.80704	0.9
277.21713	1.0
301.44461	1.0
323.08582	1.1
397.12976	2.7
410.13846	2.0
411.14542	6.8
412.15451	2.5
413.15894	2.8
423.14871	1.4
424.15860	1.8
425.16492	10.0
426.16925	9.4
427.17398	1.5
428.18655	1.7
438.12933	2.4
439.13608	14.0
440.19031	5.3
441.19281	35.0
442.19278	3.2
452.14917	4.2
453.15363	18.4
454.16422	4.4
457.15140	1.4
467.17188	24.7
468.18057	13.3
469.18784	10.2
481.14694	13.9
482.15680	4.1
485.18005	1.5
495.16678	1.6
496.17233	11.2
497.18027	2.5
499.20215	1.2
509.18661	2.1
523.19629	1.4
527.23151	2.9
545.38397	2.2
555.22382	36.6
556.22742	3.0
583.21875	100.0
584.21875	10.5
586.21930	1.1
587.24969	2.8
611.21326	1.5
615.24597	12.6
616.24634	1.3
643.23969	46.8
644.24243	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	643.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
53.52691	0.5
55.01855	1.4
65.03933	3.7
67.05482	1.9
69.03415	1.1
69.62407	1.2
69.62818	2.1
70.06546	0.5
73.55149	0.4
78.04705	2.9
79.05495	3.4
81.03407	1.0
81.07035	0.8
82.04175	1.1
82.63920	0.4
83.15694	0.4
85.02891	2.8
91.05476	4.0
93.03392	0.9
93.07030	0.6
95.04966	3.6
95.08555	0.9
95.16230	0.4
97.02892	0.6
97.06503	1.1
98.46793	0.4
103.05473	4.9
105.03391	0.9
105.04507	0.4
105.07011	1.6
106.04151	1.9
107.04426	0.4
107.04965	5.0
107.08614	0.5
108.02084	0.6
109.02808	0.5
109.06496	1.0
110.03671	2.1
111.04427	1.5
115.05444	6.1
117.07011	8.5
119.04919	0.7
119.08622	0.6
121.02888	0.5
121.06508	2.3
122.03624	0.5
123.04419	9.0
124.05218	3.3
125.05988	2.3
126.92850	0.5
127.05415	1.4
131.04921	4.6
132.05672	0.5
133.02817	0.6
133.06448	1.2
134.03621	0.7
135.04436	0.8
137.05978	3.2
138.03098	0.9
139.03879	0.8
142.02586	1.2
143.04935	0.7
145.06479	14.3
145.10110	0.6
147.04411	1.1
147.07967	1.3
148.05170	1.4
149.05984	2.5
151.03899	1.9
151.07471	1.0
152.04672	2.1
153.05450	2.3
155.05977	3.8
155.07106	0.7
159.04391	0.9
159.41875	0.4
160.05179	0.5
161.05971	1.7
163.03915	0.9
163.07500	2.6
165.05455	1.6
165.06761	0.4
166.02643	0.5
167.07033	100.0
168.07414	1.3
171.06519	3.3
173.05974	18.4
174.06499	0.6
175.03912	0.5
175.05994	0.4
175.07495	2.0
176.04834	0.5
177.05438	3.5
179.07069	0.7
180.07663	0.7
181.04948	53.8
181.08391	1.1
182.05281	1.0
187.07697	0.4
189.05473	0.9
190.06236	0.7
191.07027	12.8
192.07738	0.5
193.08569	1.0
195.06557	2.1
201.05428	1.0
203.07085	2.3
204.59280	0.5
205.08582	5.2
206.08936	0.5
207.06523	1.6
207.10127	1.0
208.07338	0.7
209.08066	3.0
217.08586	0.9
219.06476	0.8
219.10162	1.2
220.07321	0.5
221.06085	0.5
221.07977	0.9
222.06723	0.6
225.07635	1.6
231.06493	1.1
233.08057	6.5
235.09608	6.9
236.08052	0.5
263.09091	2.0
265.08401	0.8
267.10165	0.6
279.10114	0.6
292.44061	0.4
293.08029	0.6
295.06223	0.7
295.09665	0.6
297.07773	0.7
297.11215	1.3
307.09683	0.5
310.08350	0.7
325.10767	1.5
329.13882	0.6
339.12665	0.8
353.10001	0.6
355.11688	0.6
357.13254	5.7
358.13580	0.6
367.11874	0.6
369.13309	0.5
381.13510	1.3
385.12823	26.9
386.13345	2.0
387.14368	6.9
388.14706	0.5
399.14468	1.3
415.13965	0.6
415.68115	0.4
417.15405	14.9
417.20966	0.8
418.15948	0.6
507.16043	0.5
634.54907	0.5
643.23792	25.4
644.24255	2.3
650.08856	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71689	0.4
53.03939	1.1
54.27662	0.6
55.01858	0.5
55.23383	0.4
65.03938	2.7
67.05495	1.2
69.03416	0.9
69.81277	1.0
69.81679	2.7
78.04723	3.3
79.05473	2.2
81.03400	0.8
82.04186	1.0
85.02882	2.1
91.05486	3.3
92.32757	0.5
93.03400	0.9
93.07047	0.9
95.04971	2.6
97.02907	0.9
97.06515	1.6
103.05486	3.5
105.03403	0.7
105.07032	1.1
106.04163	1.9
107.04983	3.8
108.02110	0.5
110.03650	1.6
111.04440	1.0
115.05441	5.5
117.07015	8.4
119.04965	1.0
121.06509	2.6
123.04419	10.0
124.05244	2.8
125.06000	1.5
127.05460	0.6
131.04915	2.7
131.35612	0.5
133.06485	0.8
134.03629	1.4
135.04407	1.0
137.05922	2.1
138.03131	0.5
140.04616	0.6
142.02548	0.7
143.53789	0.5
145.02818	0.8
145.06488	15.1
147.04416	0.6
147.08046	0.8
149.05980	2.5
151.03911	1.5
151.07538	0.8
152.04683	2.1
153.05429	1.3
155.06007	3.5
159.04440	1.0
160.05144	1.0
161.05942	0.9
163.03908	1.0
163.07668	0.7
165.05482	0.9
167.07042	100.0
168.07401	1.2
171.06525	3.2
173.05984	21.0
175.07593	0.8
177.05510	3.9
178.06067	0.7
179.06937	0.7
181.04958	39.6
182.05295	0.7
190.06339	0.6
191.07033	2.8
201.05476	1.1
203.07047	1.9
205.08589	5.4
205.11409	0.5
207.06467	0.8
208.05684	0.5
209.08134	2.3
231.06512	0.9
233.08054	5.7
235.07475	0.9
235.09651	6.7
249.11252	0.8
265.08572	1.0
293.08151	0.8
310.08347	0.5
323.09546	0.6
325.10751	0.9
353.10138	0.8
357.13290	5.4
367.11627	0.6
385.12827	29.1
386.13373	1.2
387.14352	6.9
417.15451	17.8
487.11923	0.6
643.23840	31.4
644.24304	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1505
Annotation	myricetin 3-O-gentiobioside
Peak:m/z	Relative Intensity
57.03431	0.9
65.33635	0.4
68.99779	1.2
69.03427	2.1
71.01331	0.5
71.04997	0.5
71.58540	0.9
73.02926	0.8
78.75597	0.4
79.05510	0.4
81.03403	1.3
82.01395	0.4
85.02902	8.0
86.09676	0.5
90.05667	0.4
95.04942	1.2
97.02871	2.2
107.04929	0.6
109.02866	1.9
110.20464	0.5
111.00799	1.7
111.04466	0.7
113.02386	0.6
118.51609	0.4
121.02892	0.6
121.06546	0.4
123.04416	4.1
127.03909	2.0
135.04416	0.5
137.02351	3.5
137.05956	1.0
139.03896	1.1
145.04950	1.1
149.02356	0.6
153.01820	9.0
165.01804	3.9
165.05429	0.7
179.03403	1.5
181.05045	0.6
183.02914	1.3
189.05611	0.5
195.02882	1.1
203.03459	0.5
217.04958	3.2
229.05034	1.0
245.04492	4.3
255.02950	0.9
257.04193	0.7
263.05414	0.8
273.03918	4.9
287.05441	6.0
290.04187	1.4
301.03287	1.1
303.04990	10.6
319.04480	100.0
320.04816	1.7
329.02945	0.6
347.04132	0.5
407.07581	1.7
421.08978	0.8
449.08685	0.9
467.09753	6.6
481.09781	10.5
609.02063	0.5
674.37213	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.6
57.03408	1.3
65.03938	1.0
68.99773	0.9
69.56305	3.1
71.01360	2.9
73.02917	3.9
79.15616	0.4
85.02910	10.3
91.05458	0.7
93.03340	0.6
95.01299	1.3
95.04942	0.4
97.02843	1.3
99.00775	0.6
101.02354	0.8
103.03894	0.4
105.03332	0.4
107.04932	0.5
111.00766	0.9
111.04443	3.5
113.02376	3.0
121.02866	9.6
123.04397	0.9
131.03432	3.0
131.04903	0.7
137.02365	3.5
138.38304	0.4
139.03897	5.8
141.01859	2.1
145.02823	0.8
145.06494	0.5
147.04405	2.1
153.01828	3.8
157.06444	0.6
159.02852	1.3
159.04253	0.5
163.03894	1.3
165.01851	1.4
171.04439	0.7
173.05815	0.5
176.19859	0.4
181.04973	1.4
183.02872	0.8
185.06021	0.9
187.03972	0.8
197.05785	0.5
205.01405	0.6
211.03952	0.5
213.05428	1.7
215.03351	1.3
217.01360	0.7
231.06476	0.7
241.04955	1.5
245.04620	0.5
255.03047	0.5
258.05289	0.8
259.06058	0.6
269.04422	2.0
273.03870	1.3
283.06030	1.0
286.04617	0.6
287.05502	100.0
288.05814	2.5
299.05518	0.9
303.05023	4.3
309.07639	0.9
311.05588	1.0
313.03427	3.4
313.07114	5.5
315.05008	0.5
319.04453	4.9
331.04498	9.1
339.04990	3.5
351.08569	0.5
357.06223	0.9
361.07126	2.9
389.06714	1.1
407.07620	19.8
408.08081	0.6
421.08844	0.6
431.07523	0.8
445.07877	0.7
449.08698	12.7
450.09097	0.6
467.09763	83.3
468.10010	2.8
481.09558	0.8
507.48077	0.4
556.18604	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30049	11.0
57.07069	34.7
71.08600	27.5
71.59428	24.1
71.59772	13.3
86.43980	14.9
87.04442	13.1
89.06012	100.0
99.03657	13.2
133.08591	42.4
177.11205	12.5
469.45850	14.7
643.25153	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	642.53
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17667	7.2
55.05504	18.0
57.07065	37.1
61.59041	7.4
66.35373	8.0
66.71872	8.4
67.05500	51.1
69.07053	24.3
70.59838	7.8
71.08637	39.6
71.56823	14.8
71.57175	12.5
79.05487	30.0
81.07046	71.2
83.04961	10.6
83.08615	15.6
85.10194	14.1
91.05479	15.1
93.07043	35.0
95.04949	11.0
95.08598	32.9
105.07030	23.0
107.08572	20.0
109.10152	14.2
121.10110	8.9
123.11686	9.1
124.70493	7.3
133.10095	14.6
135.11653	8.8
139.11327	7.6
149.13333	9.5
167.98730	7.4
174.98772	8.9
269.17603	27.2
304.01224	7.8
313.27399	43.6
328.96799	11.6
333.49832	8.7
467.37161	13.5
507.40540	100.0
573.41418	9.5
600.55780	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	642.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.4
53.36180	0.8
55.01870	4.1
55.05508	12.8
57.03431	2.6
57.07073	1.0
59.04985	0.9
61.02914	3.0
65.03939	2.1
66.35997	1.0
67.05508	27.5
67.05872	1.3
68.05846	1.0
69.03423	1.8
69.07068	9.0
71.04990	2.4
79.05496	19.6
80.05830	1.1
81.03413	2.9
81.07056	27.0
82.07379	1.0
83.04990	2.3
83.08642	6.5
85.02907	3.7
85.06521	1.6
88.66652	1.0
91.03960	1.4
91.05484	25.8
92.05808	1.7
93.07049	21.4
94.07372	1.3
95.04976	5.4
95.08604	17.2
96.08950	1.1
97.02897	0.9
97.06521	4.5
97.10172	4.0
99.30121	0.9
103.05475	1.1
105.07030	26.7
106.07388	1.6
107.04957	3.3
107.08602	13.3
108.08932	1.1
109.06516	4.0
109.10161	6.9
111.08073	1.1
113.97057	0.9
117.07027	14.1
118.07309	1.2
119.08585	18.9
121.06488	2.9
121.10144	7.0
123.08085	2.4
123.11707	1.6
125.09627	1.8
128.06230	2.3
129.07001	8.4
131.08571	23.2
133.06505	2.5
133.10129	13.6
135.08064	3.1
135.11679	3.6
137.09622	1.2
141.06979	3.4
143.08546	9.1
145.06470	1.3
145.10124	13.7
147.08047	2.9
147.11644	5.0
149.09605	2.9
149.13249	1.7
151.11128	1.4
155.08582	4.1
157.10083	7.1
159.11679	7.5
160.12167	0.9
161.09625	0.9
161.13290	2.3
163.11186	2.0
167.08606	1.2
169.10118	4.2
171.11688	4.3
173.13232	3.5
175.14801	1.0
179.14275	1.5
181.10100	1.5
183.11703	2.2
185.13292	3.3
187.14792	2.2
189.12802	1.2
195.11736	2.1
197.13275	3.0
199.14764	1.9
211.14850	1.7
213.16245	1.6
225.16388	1.3
227.17999	1.1
247.16913	1.5
250.80263	0.9
257.19180	1.8
273.18387	1.4
275.20245	5.4
276.20450	5.5
325.25128	1.9
343.26456	1.5
349.23645	1.9
350.24261	1.6
353.24667	4.5
371.25726	5.8
389.26837	7.4
427.28271	1.2
445.29504	100.0
446.29776	3.3
463.30573	30.3
464.30542	1.5
527.37225	1.3
544.36902	2.7
545.37866	1.7
624.43262	3.4
642.43738	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
55.01871	3.6
55.05514	10.1
57.03445	2.1
61.02922	3.2
65.03937	1.3
67.05508	21.0
69.03419	1.4
69.07072	6.7
70.65144	2.4
70.65508	2.4
79.05488	16.8
81.03409	2.3
81.07057	20.3
83.05006	3.0
83.08628	5.2
83.59650	1.1
85.02889	2.1
89.08316	1.1
91.05479	26.1
92.05799	1.4
93.07040	17.5
94.07398	1.6
95.04977	5.0
95.08611	16.1
97.02892	1.4
97.06528	5.0
97.10151	2.1
99.08077	1.7
101.26302	1.0
105.07037	20.5
106.07382	1.8
107.04944	4.3
107.08590	10.2
107.76273	1.3
109.06514	2.6
109.10169	6.3
112.27723	1.3
116.57838	1.2
117.07018	11.7
119.08584	14.8
120.08978	1.2
121.10157	8.4
122.03059	1.1
123.08048	2.6
123.11649	1.6
125.09576	1.5
128.06154	1.6
129.07007	8.9
131.08568	19.8
133.10115	9.5
134.10524	1.4
135.08051	2.0
135.11671	3.4
141.07008	2.1
143.08537	7.6
145.06573	1.4
145.10133	10.4
147.08095	2.0
147.11684	5.2
149.09534	1.3
149.13208	1.3
155.08542	4.6
157.10104	4.9
159.11737	4.3
167.08546	1.8
169.10139	4.7
171.11664	4.3
173.09779	1.5
173.13254	2.7
179.14250	1.2
180.14685	1.7
181.10139	2.5
183.11685	2.0
185.09641	1.3
185.13307	1.8
195.11620	1.6
197.13335	2.5
199.14894	1.8
209.13248	1.4
211.14835	1.7
247.16829	1.4
257.18704	1.4
275.20114	3.3
276.20392	2.3
278.22037	1.5
335.23709	1.7
343.26340	2.3
353.24866	3.8
371.25842	4.7
377.79596	1.3
389.26843	8.4
445.29501	100.0
446.29691	3.4
463.30438	21.4
544.37048	5.1
545.38312	2.6
624.43091	1.9
642.44611	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.0
53.83554	3.3
55.00097	3.7
55.01865	9.2
55.05513	41.5
56.83795	4.1
57.03435	67.9
65.03940	5.9
67.05504	87.3
69.07069	32.4
70.46013	4.2
71.04977	10.9
71.08622	9.8
78.59720	3.4
79.05495	70.2
81.03410	15.9
81.07052	100.0
83.04955	6.2
83.08627	21.4
85.06528	15.7
86.09711	4.2
91.04968	6.1
91.05480	69.7
92.36559	3.8
93.07040	75.5
95.04975	30.5
95.08606	71.9
97.06503	12.0
97.10165	10.2
99.08102	41.1
104.10737	9.6
105.06400	6.0
105.07034	67.5
106.84128	3.9
107.04929	9.9
107.08578	43.2
109.06507	29.9
109.10156	29.9
111.08097	8.8
113.09650	10.3
115.05496	5.5
117.07018	28.7
119.08575	47.7
121.06490	4.6
121.10138	32.9
123.08037	10.9
123.11717	6.7
125.09608	9.6
128.06186	8.7
129.07027	30.2
130.07770	5.1
131.08549	49.5
133.10106	28.5
135.08076	5.7
135.11678	21.8
137.09593	7.1
141.06978	12.0
142.07756	10.4
143.08569	42.9
145.10126	46.3
147.08093	6.4
147.11679	15.5
149.09610	7.6
149.13231	5.3
155.08566	33.0
157.10132	30.9
159.11678	27.1
161.09558	4.7
161.13257	9.8
163.11209	11.5
167.08559	15.7
168.09332	4.8
169.10133	42.5
171.11710	26.8
173.13268	12.5
175.11185	7.7
175.14804	6.0
177.12767	4.3
179.08572	10.2
179.14291	18.5
180.09393	7.2
181.10104	30.7
182.10869	6.4
183.11731	31.1
184.71321	4.1
185.13240	30.3
187.14793	5.2
193.10121	13.1
195.11726	22.6
197.13307	23.1
201.12700	4.7
203.14211	9.0
205.10162	5.5
206.10919	4.8
207.11673	16.6
209.13289	19.2
210.13954	4.9
211.14743	9.5
213.16429	5.7
215.14320	4.3
219.11673	10.0
219.17378	7.7
221.13210	15.5
223.14758	15.4
225.16473	6.8
233.13116	8.9
235.14783	12.8
237.16267	8.2
239.18005	8.3
247.14940	8.1
249.16512	5.2
255.17532	5.7
257.18930	8.4
267.17358	5.3
273.18509	9.1
275.20224	22.6
277.21582	13.2
286.98984	38.3
293.19104	4.1
297.22092	5.7
309.22159	5.0
311.20065	5.0
347.22430	6.0
349.23795	6.7
351.25311	4.8
365.24640	5.8
419.29578	4.5
441.31219	5.6
459.32257	16.0
477.33386	12.3
495.34985	5.4
497.32593	11.8
513.36963	12.0
531.38397	20.9
543.37006	46.6
549.39178	20.7
551.37396	22.9
567.40356	9.2
569.38379	56.2
581.27356	5.2
605.41687	11.0
623.43024	56.3
641.28949	21.7
641.44147	63.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27335	2.1
53.03935	6.3
55.01629	3.4
55.01871	45.8
55.05512	26.5
57.03441	5.7
57.07066	4.3
60.12165	1.9
64.51450	2.0
65.03954	3.0
66.70723	2.2
67.05505	67.4
67.15894	1.9
69.03413	6.7
69.07066	39.9
69.45308	20.2
71.04985	5.1
71.08638	2.9
78.64948	1.7
79.05067	4.1
79.05495	51.3
81.03426	10.1
81.07056	64.6
81.57437	2.2
83.04980	14.3
83.08622	12.2
84.89277	1.8
85.02888	2.7
85.06540	4.2
91.05478	58.1
93.07043	45.5
95.01300	3.6
95.04971	15.5
95.08604	33.9
97.06528	78.2
97.10172	10.0
105.07031	60.5
107.04955	22.6
107.08590	29.7
109.06545	11.1
109.10192	15.7
111.08083	5.7
113.05997	2.2
117.07004	22.2
119.07804	3.0
119.08582	40.8
121.02831	2.3
121.06512	6.8
121.10139	15.3
123.08060	7.1
123.11690	5.1
125.09628	7.9
128.06145	3.0
129.07014	11.9
131.08572	26.9
133.10120	39.9
135.08005	5.7
135.11714	13.1
137.09583	2.3
139.07547	3.2
141.06963	3.6
143.08553	9.5
145.06395	2.3
145.10114	25.9
147.07942	3.0
147.11676	20.3
149.09608	20.2
149.13249	6.8
151.11197	4.6
155.08481	2.9
157.10094	9.3
159.08026	2.6
159.11682	18.4
161.09624	2.7
161.13266	7.9
163.11200	12.1
163.14799	2.9
165.09094	3.5
165.12735	3.0
169.10110	9.4
171.11708	9.8
173.13263	8.5
175.14760	2.9
177.12801	4.6
179.14342	14.5
181.10080	3.4
183.11708	5.6
185.13264	5.6
187.11128	3.6
187.14867	4.1
187.35115	2.4
189.11195	3.2
195.11734	3.2
197.13277	3.8
199.14850	2.9
227.12704	5.8
229.19548	4.1
235.15031	2.4
239.17908	5.1
241.19374	2.8
245.18880	2.5
247.20612	5.8
248.74390	2.1
257.18961	11.7
259.20514	7.4
267.70438	2.2
273.18405	3.3
275.20056	100.0
277.21484	2.4
291.19626	13.4
293.21097	8.5
331.22754	2.6
349.23792	32.1
353.02838	2.2
365.23016	3.7
445.29572	2.2
495.23770	3.1
543.36908	11.2
581.27618	11.9
605.41711	4.2
623.42847	32.2
641.29565	7.2
641.44202	15.2
649.91034	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	641.441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.4
55.01868	20.4
55.05513	64.0
57.03432	11.8
59.94419	3.6
64.20008	3.4
65.03950	5.1
67.05505	93.3
69.03435	11.9
69.07069	48.6
69.93474	3.9
70.04649	10.6
70.05063	10.8
71.05006	8.3
77.10771	3.6
79.05495	75.8
79.26898	3.7
81.03448	7.0
81.07061	90.2
82.72462	3.8
83.04987	12.5
83.08620	37.2
85.06566	4.4
87.87587	3.7
91.05482	76.0
93.07047	74.2
95.04978	18.1
95.08611	55.6
97.02895	5.2
97.06536	16.7
97.10177	49.0
105.07037	69.3
107.04955	11.3
107.08590	57.9
109.06532	11.9
109.10150	28.6
111.08088	7.9
115.05474	6.3
117.07028	28.7
119.08596	68.6
121.06497	6.7
121.10139	33.2
123.08084	8.9
123.11713	10.5
125.09657	30.1
127.07445	3.7
128.06215	10.5
129.07028	22.0
129.80597	3.8
131.08560	49.7
133.06519	5.5
133.10144	44.6
135.08063	13.8
135.11697	18.7
137.09668	6.9
141.06995	6.6
142.07764	5.9
143.08565	32.4
145.10124	43.8
147.07997	7.6
147.11699	37.4
149.09618	5.8
149.13222	10.9
155.08574	10.8
157.10115	24.3
159.08031	5.8
159.11717	27.2
161.09627	5.6
161.13249	30.1
163.06247	3.5
163.11133	5.5
163.14798	3.9
165.07091	3.8
167.08574	7.1
169.10104	19.9
171.11693	21.7
172.43018	3.8
173.11926	3.8
173.13269	16.9
175.11299	4.6
175.14856	12.9
177.12755	5.5
179.14326	4.1
181.10159	13.5
182.10983	3.8
183.11722	22.0
185.13280	17.3
187.14832	14.1
189.11267	19.6
195.11688	11.8
197.13290	13.1
199.14880	7.6
201.16379	5.9
207.11685	7.5
209.13290	9.2
211.14864	9.2
213.16367	9.5
219.11755	3.7
221.13293	5.1
223.11345	4.1
223.13316	14.0
223.15114	5.6
227.12784	21.2
237.16437	6.0
241.19476	23.7
257.19003	6.0
259.20566	50.7
271.14478	4.2
273.18463	10.2
275.20065	20.4
275.22729	4.5
285.22131	8.5
289.17923	5.5
291.19540	80.3
297.22229	5.7
315.23157	7.4
333.24298	30.8
349.23785	6.3
353.71512	3.9
363.26721	7.1
365.23230	29.0
379.30054	6.0
381.27826	8.4
397.31058	6.1
511.34113	5.8
513.36981	6.1
529.35327	13.9
531.38196	5.7
543.36951	17.9
549.38989	9.8
605.41803	20.0
623.43103	100.0
641.43976	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	641.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43778	3.5
53.03938	8.9
55.01858	12.6
55.05513	48.8
57.03427	14.3
57.07073	9.8
65.03941	6.1
67.05177	5.5
67.05508	87.7
68.99802	4.5
69.03442	8.4
69.06763	4.0
69.07071	37.8
69.94723	18.8
71.04992	3.9
71.08643	4.7
79.05491	86.7
81.03418	6.8
81.07059	100.0
83.04981	13.7
83.08608	19.4
85.06551	5.4
85.10166	4.1
86.09693	5.6
91.05482	86.7
93.07047	70.6
95.04965	26.3
95.08047	5.9
95.08606	64.2
97.06538	14.5
97.10167	12.9
100.11267	20.3
101.11575	5.6
104.52232	3.8
105.07035	71.7
107.04965	16.7
107.08594	48.0
107.71896	3.3
109.06529	16.7
109.10162	36.4
111.08081	15.0
115.05432	5.3
117.07019	36.9
119.04964	5.0
119.08588	54.0
121.06540	9.0
121.10153	26.6
123.08054	7.7
123.11715	8.5
125.05981	3.8
125.09619	9.6
128.06204	8.9
129.06992	20.5
131.08571	48.4
133.06480	11.7
133.10129	59.0
135.08043	11.8
135.11694	19.8
137.09613	8.3
139.07542	4.9
141.06998	9.5
141.09009	4.1
143.08553	26.1
145.06464	7.3
145.10133	41.2
147.08076	10.5
147.11676	31.2
149.09657	7.6
149.13232	8.6
151.11179	8.5
155.08554	12.9
157.08961	4.4
157.10092	23.8
159.08032	5.6
159.11676	28.9
161.09685	7.6
161.13286	18.3
169.10136	16.4
171.11659	26.5
173.09599	3.9
173.13266	15.5
175.14828	7.7
177.12692	3.4
181.10115	4.6
183.11658	12.0
185.09491	4.1
185.13266	20.4
187.11273	5.2
187.14886	6.2
189.12592	4.8
193.10074	3.9
195.11691	11.0
197.13216	11.1
199.14935	9.5
209.13373	6.3
211.14716	6.8
223.14833	6.6
225.16435	5.6
237.16489	6.0
241.19530	10.3
245.18983	4.5
253.14377	13.7
257.19104	5.8
259.20615	13.4
263.17877	5.2
271.17062	4.9
273.18475	12.7
275.20383	6.9
289.17990	7.7
291.19531	14.4
333.24228	11.8
335.25867	4.8
337.98279	4.0
346.49518	3.6
353.28171	4.4
365.23236	13.1
405.27988	3.5
409.31033	9.4
483.34470	6.5
487.34158	19.1
501.35696	27.1
503.37875	5.9
511.34528	6.8
513.36499	6.5
531.38104	9.8
543.36414	8.6
549.39008	7.6
567.40186	13.1
595.40131	14.5
605.41772	14.6
613.44299	7.1
623.43018	46.8
641.44031	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	641.4408
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53764	4.7
55.01873	18.7
55.05509	63.0
55.51795	5.0
57.03433	14.3
57.07071	11.9
57.94110	4.8
65.03937	6.4
67.05507	100.0
69.03405	7.9
69.07063	52.1
70.84578	15.7
71.08636	9.5
72.76116	5.3
75.87328	6.3
79.05490	96.0
81.03409	10.5
81.07053	97.9
82.07455	5.2
83.04967	11.2
83.08631	32.9
85.06527	11.9
85.10161	6.7
89.06028	9.6
91.05476	79.8
93.07043	83.7
95.04950	16.7
95.08608	60.0
97.02910	5.2
97.06533	27.4
97.10179	36.8
103.05495	6.2
105.07044	73.3
107.04945	20.3
107.08598	56.8
109.06512	15.8
109.10140	36.4
111.08112	7.9
117.03185	5.0
117.07027	35.8
119.08582	62.9
121.06495	8.8
121.10146	29.0
123.08080	10.9
123.11707	13.0
125.09627	25.2
129.06995	23.3
131.08580	42.9
133.08595	8.7
133.10126	45.8
135.07993	15.8
135.11725	10.2
137.09587	8.6
141.06938	10.7
143.08545	20.8
143.24870	5.5
145.09100	7.1
145.10107	35.0
147.07997	10.5
147.11716	30.1
149.09586	10.8
149.13240	9.2
155.08566	9.1
157.10095	14.8
159.11688	31.4
161.09691	8.8
161.13281	16.5
163.11235	8.4
169.10123	20.1
171.11668	18.1
173.13261	16.9
175.14857	13.1
181.10136	9.5
183.11673	11.8
185.13240	14.9
187.14790	6.9
189.11182	12.1
195.11591	6.2
197.13255	8.7
199.14853	8.9
209.13295	10.3
215.17931	6.6
223.13237	8.1
227.12854	30.0
241.19453	8.3
259.20554	27.6
273.18649	10.6
275.20099	28.0
277.21759	5.8
289.17682	9.4
291.19601	70.7
293.21246	6.9
333.24164	21.0
338.50244	5.7
349.23724	16.5
353.76196	5.9
365.23270	29.1
437.30396	6.5
543.36676	16.4
549.39050	9.4
605.42365	7.1
623.42975	61.9
641.44366	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	641.4409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56632	3.7
53.03935	15.4
55.01870	45.5
55.05510	44.0
57.03435	14.1
57.07056	3.9
65.03929	7.4
67.05506	99.1
69.03424	7.3
69.07065	57.0
71.04977	9.8
71.08629	4.4
79.05058	7.9
79.05494	94.5
81.03403	9.2
81.07056	100.0
83.04977	12.4
83.08627	22.9
85.06564	7.8
91.05482	91.0
93.07033	80.8
95.04953	35.1
95.08611	63.8
97.06526	68.0
97.10164	16.1
98.77358	5.1
99.08110	4.7
103.05454	4.7
105.07034	97.8
107.04934	35.1
107.08589	50.1
109.06510	20.7
109.10152	34.8
111.08071	7.8
117.06998	38.3
119.08588	58.1
121.06541	14.0
121.10126	20.4
123.08047	11.4
125.09633	16.4
125.62743	4.1
128.06160	5.6
129.06993	22.6
130.07811	4.6
131.08571	53.8
133.06491	5.1
133.10139	47.6
135.08073	14.8
135.11685	23.0
137.09656	4.4
138.60573	4.4
141.06975	7.1
142.07799	4.7
143.08578	17.7
145.06442	7.3
145.10126	31.7
147.08093	7.3
147.11659	22.4
149.09630	30.0
151.11209	5.1
155.08572	14.6
156.39339	4.2
157.10147	14.4
159.11678	21.7
161.09584	4.6
161.13319	10.8
163.11166	15.5
167.08539	6.8
169.10170	10.6
171.11691	9.8
173.09735	6.7
173.11823	5.7
173.13260	13.9
175.11176	6.8
177.12799	9.0
179.08627	4.7
179.14343	13.1
183.11690	13.4
185.13245	7.1
187.11200	5.2
189.11197	5.0
193.10207	5.0
197.13293	12.0
199.14796	6.2
209.13312	6.9
227.12729	8.0
229.14438	5.3
229.19629	6.5
229.54457	5.2
237.16541	5.0
239.17889	9.3
257.18997	16.5
259.20535	7.4
273.18484	8.1
275.20078	91.2
291.19693	10.3
293.21057	10.6
329.87204	4.5
335.26013	5.7
349.23657	47.2
407.68073	4.6
529.34644	6.0
543.36652	8.9
549.39020	10.0
605.41669	6.3
623.42816	51.5
641.44055	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	641.4409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.0
55.01874	12.1
55.05516	18.8
57.03436	26.6
57.07071	3.3
65.03921	2.7
67.05505	57.2
69.03401	1.2
69.07063	17.3
70.06566	1.6
70.57333	5.0
71.04974	4.5
71.08623	1.4
79.05494	38.4
79.05958	2.1
81.03403	5.4
81.06583	2.5
81.07056	48.1
83.04980	5.5
83.08616	6.2
84.33273	1.5
85.06536	24.4
86.98386	1.4
87.11990	1.3
91.05477	38.8
93.06465	2.6
93.07040	35.6
93.98972	1.4
95.01334	1.7
95.04969	40.8
95.08057	2.0
95.08606	30.1
97.06535	13.3
97.10151	3.2
99.08092	1.7
105.07034	35.0
107.04966	12.0
107.08599	20.4
109.06512	24.1
109.10162	10.0
111.08064	3.6
113.06007	100.0
115.05450	1.5
117.07022	17.9
119.08585	27.0
121.06519	3.8
121.10130	9.0
121.87014	1.2
123.08058	6.4
123.11679	2.9
125.09623	4.1
128.06229	3.2
129.06995	10.2
131.08565	26.5
133.06479	2.7
133.10124	20.8
135.08034	16.9
135.11688	8.6
137.09610	2.7
139.11156	1.4
141.06946	6.1
141.09088	3.1
142.07729	2.9
143.08553	13.6
145.06416	2.9
145.10132	20.4
147.08063	3.5
147.11684	15.1
149.09625	7.4
149.13274	6.5
151.11066	1.7
155.08586	7.5
157.10152	11.9
159.08109	3.0
159.11685	13.8
161.09602	3.3
161.13284	8.3
163.11174	4.9
163.14757	1.5
165.09064	2.0
165.12723	1.6
167.08565	2.4
169.10115	8.1
171.11731	11.5
173.09541	2.0
173.13235	9.5
175.11189	3.4
175.14819	4.7
177.12735	5.1
179.14227	2.5
181.10162	3.5
183.11682	7.5
185.13245	6.9
187.11189	2.9
187.14825	5.5
189.12628	2.2
189.16278	1.5
190.10867	1.6
195.11739	3.7
195.13773	1.6
197.13228	4.8
199.14780	4.4
201.12704	3.4
201.16376	1.6
205.12250	1.4
207.11716	2.6
209.13191	3.8
211.14839	2.3
213.16409	3.2
217.15862	4.5
221.13348	1.7
223.11076	1.2
223.14972	2.2
237.16371	2.6
239.17935	3.3
241.19550	6.4
245.19025	2.4
251.17946	2.3
256.26355	1.5
257.18933	4.1
259.20532	11.2
273.18582	7.8
275.20047	17.5
277.21744	2.1
279.15964	6.5
291.19559	24.4
293.21158	2.2
315.23364	1.8
327.26801	2.0
329.24536	1.6
331.22467	1.6
333.24240	12.8
349.23727	7.0
365.23221	5.5
437.34164	3.2
513.36530	5.8
527.36908	1.8
529.38824	3.3
531.37878	5.9
543.36871	7.9
549.39203	4.4
551.37531	3.2
567.40131	3.8
569.38501	2.9
605.42065	5.3
623.43066	32.6
641.34888	4.8
641.43726	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	641.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87553	2.5
55.01857	5.1
55.05513	16.8
67.05498	25.8
69.03405	2.8
69.07062	11.8
71.04980	2.9
71.58966	2.5
72.67133	2.6
76.94218	2.5
79.05486	19.8
81.07066	24.4
83.04975	3.6
83.08598	3.3
83.87305	2.6
91.05481	26.7
93.07040	23.1
95.04989	8.6
95.08607	14.1
97.06520	7.8
97.10180	4.8
105.07040	20.7
107.04977	4.0
107.08608	12.9
109.06536	5.1
109.10158	11.6
111.08047	4.5
117.07014	8.9
119.08608	14.8
121.10154	9.6
123.11705	5.2
129.07010	4.8
131.08569	10.8
133.10095	12.6
135.11703	3.8
143.08580	4.3
145.10130	8.4
147.11676	5.7
149.09689	3.4
149.13211	3.0
159.11673	6.6
163.11212	3.5
171.11751	4.0
173.13220	3.4
175.11279	2.7
185.13213	4.3
223.12294	3.6
224.13062	3.4
275.20142	22.4
289.18069	3.6
290.16556	3.6
291.19672	3.8
313.15100	3.2
335.25885	4.1
349.23657	9.5
392.19812	6.1
406.21313	7.9
407.22025	9.1
419.22321	5.5
420.22604	4.0
421.23740	8.7
422.24103	12.8
434.24200	10.5
444.19043	7.6
445.23953	3.9
462.20407	5.4
463.21350	12.6
475.21307	5.6
477.22824	8.3
491.24484	3.9
494.26834	3.7
495.16522	3.6
543.36407	3.4
545.25433	10.3
547.27203	9.3
549.25104	22.2
550.25360	9.2
563.26245	9.2
591.25964	63.8
605.27240	12.1
605.41711	3.8
609.27087	13.8
623.28674	100.0
623.42249	6.5
641.28687	12.6
641.44189	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	641.1709
Annotation	Isorhamnetin 3-laminaribioside
Peak:m/z	Relative Intensity
53.03940	0.3
55.01860	0.6
57.03434	0.8
61.02920	1.4
65.03931	0.3
68.99786	0.3
69.03423	2.5
71.04994	0.3
71.57554	0.4
73.02905	0.6
73.80685	0.2
78.82248	0.3
81.03401	1.0
85.02898	7.1
92.02606	0.7
93.03403	0.8
95.01321	0.3
97.02898	2.9
99.04444	0.5
109.02859	0.8
111.00802	0.3
116.15147	0.3
121.02834	0.9
123.04417	0.4
126.03143	0.4
127.03899	1.2
133.02800	0.3
135.04376	0.4
137.02307	0.8
139.03902	1.0
141.01775	0.6
145.04924	1.0
147.04387	0.5
149.02402	0.3
151.03911	1.1
153.01820	7.3
163.03885	0.5
165.01805	0.8
201.05484	0.8
203.03410	0.4
213.05489	0.3
217.05046	0.5
218.05769	0.3
228.04242	1.3
229.04956	3.7
234.23431	0.3
245.04533	0.8
246.05258	1.7
255.85793	0.3
257.04443	2.4
260.03223	0.6
273.03937	1.5
274.04672	3.6
284.03217	0.4
285.03928	4.7
288.06308	0.5
302.04208	13.5
303.04974	16.4
304.05307	0.6
315.13614	0.3
317.06540	100.0
318.06845	1.1
359.07837	0.3
465.10355	2.0
479.11908	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	641.1501
Annotation	Quercetin 3-(6''-ferulylglucoside)
Peak:m/z	Relative Intensity
53.03940	0.7
53.52565	0.2
57.03420	0.3
60.23986	0.3
63.02364	0.7
67.05508	0.5
69.03432	2.2
78.04700	0.3
79.05485	0.5
81.03411	3.7
81.07037	0.5
85.02892	1.3
89.03913	7.6
89.04419	0.3
91.05465	1.0
93.07021	0.3
95.04948	0.7
95.08608	0.4
96.48580	0.3
97.02882	0.8
97.06469	0.4
99.04455	0.4
103.05412	0.4
106.04189	0.4
107.04947	0.7
109.02870	1.3
117.03374	23.5
117.07068	0.3
121.06481	0.6
123.04434	0.3
124.05211	0.3
127.03913	0.6
131.04909	0.3
133.06520	0.3
134.03644	1.5
135.04443	1.8
137.02335	1.2
137.05952	1.2
140.33340	0.3
145.02840	53.8
147.04407	0.5
149.04771	0.4
149.05974	7.8
151.07532	0.4
153.01848	0.8
158.06012	0.3
161.06013	0.5
162.03108	0.3
163.03928	2.6
165.01805	0.5
167.07025	1.2
173.05853	0.4
177.05464	100.0
178.05783	0.9
181.04933	0.9
186.05515	1.4
187.07503	0.3
189.05229	0.7
189.09097	0.3
191.06981	0.4
195.06532	1.3
201.05527	1.1
229.04980	1.2
229.68414	0.3
257.04385	1.0
285.03781	0.4
303.04990	20.4
321.09671	6.9
339.10684	3.0
345.06042	0.4
362.54758	0.4
503.11703	0.4
641.25134	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1345
Annotation	Quercetin 3-glucosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
57.03429	0.8
57.64111	0.4
61.05927	0.4
62.26279	0.4
67.01818	0.4
69.87500	2.6
71.01368	0.7
73.02919	1.9
83.01331	0.5
85.02903	5.6
95.01309	0.7
96.12819	0.3
96.90427	0.4
97.02859	0.8
108.17030	0.4
109.02910	0.4
111.00800	1.1
113.02359	1.5
115.51281	0.4
121.02865	1.0
123.04358	0.4
127.03916	0.8
131.03401	1.5
137.02344	3.4
139.03946	0.5
141.01843	0.6
153.01826	4.1
159.02927	0.6
161.05914	0.4
163.03932	0.6
165.01842	1.3
183.02867	0.5
187.03908	0.7
201.05478	1.6
229.04929	4.1
231.54366	0.4
234.22540	0.4
247.06258	0.7
257.04443	2.6
274.04803	0.9
285.03931	0.9
303.04980	100.0
304.05316	2.3
317.06549	1.7
367.08331	0.5
461.18546	0.4
465.10333	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	640.5141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60621	13.3
51.99169	13.0
52.21988	12.3
55.07865	13.5
57.03429	35.4
57.07069	54.3
65.31523	14.3
67.05517	27.3
69.07071	20.3
70.88206	13.1
71.08637	27.4
71.39993	18.7
77.55574	14.1
79.05499	24.5
81.07062	29.2
83.08596	17.6
85.10159	11.7
91.05486	32.7
95.08597	36.3
105.07016	46.3
105.76991	12.2
109.10181	14.6
117.07034	30.4
119.08594	32.9
131.08505	18.4
143.08525	26.3
145.10129	28.6
159.11676	24.7
203.14276	22.8
257.18967	47.6
275.20062	50.2
313.27362	100.0
349.23657	16.5
451.02893	14.8
556.52032	14.7
587.46576	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	641.1344
Annotation	Quercetin 3-glucosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
57.03440	0.7
61.02917	0.3
63.52489	0.3
64.67150	0.3
65.81627	0.3
68.99776	0.4
69.03420	1.3
70.06583	0.5
71.01340	1.1
71.04300	0.7
73.02901	1.0
73.40938	0.3
80.98819	0.3
81.03416	0.9
85.02903	7.5
95.01321	1.2
95.08585	0.4
97.02909	1.6
97.05510	0.3
103.03917	0.4
103.34979	0.3
108.06093	0.3
109.02845	0.6
111.00799	0.7
113.02351	0.9
121.02857	0.9
127.03914	1.3
131.03400	1.1
137.02345	2.5
141.01814	2.7
145.04927	1.3
147.04401	0.4
149.02348	0.5
153.01820	3.8
159.02896	0.6
163.03874	1.1
165.01836	1.6
173.06013	0.3
183.02922	0.9
201.05470	1.6
205.04970	0.4
207.13792	0.4
219.06448	0.4
229.05011	3.9
247.06087	0.7
257.04395	2.2
274.04681	0.7
275.05444	0.4
285.03976	1.3
302.04245	0.7
303.04977	100.0
304.05276	1.7
317.06668	2.6
345.05902	0.3
406.00705	0.3
465.10297	9.6
479.07724	0.5
622.22577	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58777	1.0
53.03942	2.8
55.01866	3.4
57.03437	2.2
69.03429	10.6
71.04987	2.0
71.58126	1.9
73.02914	2.9
81.03413	13.8
81.07056	1.1
85.02901	22.8
87.00832	8.8
87.79015	1.1
91.03994	1.4
91.05478	2.2
97.02890	11.5
99.04448	5.4
103.05497	2.4
105.01849	8.7
105.07013	2.4
107.04996	1.2
107.60815	1.3
109.02349	0.9
109.02895	10.0
119.08656	1.2
122.03640	2.4
124.58398	1.2
127.03911	18.7
129.01776	1.3
131.04933	5.2
133.06508	1.9
137.05972	100.0
138.06256	1.1
145.04935	9.0
147.02875	1.4
151.07527	2.7
159.02898	7.4
163.07539	12.8
165.09073	2.3
175.07501	2.6
177.09267	1.5
179.07056	1.4
181.08601	11.1
189.03847	1.5
205.08615	3.2
231.05008	3.8
254.01144	1.4
271.09680	1.4
289.10721	3.6
402.04892	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36391	2.0
53.03952	2.0
55.01862	2.9
69.03419	5.9
70.79871	4.8
71.04996	2.3
73.02917	1.9
76.25829	1.4
81.03405	6.4
85.02895	20.5
87.00826	7.1
97.02905	10.4
97.68569	1.4
99.04446	4.0
103.05437	2.3
105.01865	8.8
107.04915	1.8
109.02846	7.8
122.03636	2.2
126.17199	1.4
127.03908	17.8
129.01833	1.5
130.74413	1.7
131.04906	7.5
137.05977	100.0
145.04984	8.0
151.07596	1.6
159.02917	3.5
161.05936	4.0
163.07541	24.6
175.07565	3.9
177.09161	1.9
181.05019	1.8
181.08586	9.9
199.30536	1.7
205.08566	4.2
231.04958	2.8
247.09692	1.6
271.09796	1.9
289.10767	1.8
612.91089	1.5
639.44385	5.2
640.44672	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	640.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	29.7
56.05025	1.3
68.99800	2.1
69.27217	3.8
69.27645	5.6
70.02941	2.1
70.45840	0.7
72.04510	7.5
73.02917	1.6
74.00661	8.1
74.36203	0.8
83.06097	9.5
84.04501	39.1
85.04016	1.6
90.05553	7.5
92.01688	4.0
97.02869	1.4
98.00613	0.8
98.06046	1.1
99.05562	1.6
107.06051	1.6
109.02871	1.6
109.07624	2.6
111.00782	1.9
111.04424	1.3
116.01750	1.2
121.02864	0.9
126.05514	97.9
127.04006	1.5
127.05033	17.8
127.05871	1.0
129.00032	1.0
129.06595	14.9
130.05005	3.8
137.00581	1.2
137.02269	1.2
139.03906	3.7
140.01642	1.0
141.00058	0.9
141.06564	2.7
144.06558	100.0
145.06068	6.7
149.02350	4.4
153.01822	60.7
153.06633	5.1
154.02121	2.4
155.02423	0.8
155.08119	4.0
156.99527	3.1
158.02740	1.3
159.07668	8.7
163.03955	2.2
164.04599	1.5
165.00050	10.2
167.03375	1.4
168.05321	1.2
168.99541	1.2
170.04402	1.1
171.01135	8.6
171.02669	1.4
176.03867	0.9
178.03476	1.2
178.04906	5.0
179.01587	2.7
179.03078	0.9
180.99567	1.9
181.01234	1.6
181.06026	3.7
183.01123	10.6
184.99063	3.5
185.03870	4.2
185.05334	1.1
187.05301	1.6
187.99185	1.0
191.04831	41.4
194.04463	2.4
195.01134	2.7
195.02902	6.2
196.98993	1.6
197.02660	1.3
198.02191	1.8
199.00581	1.3
199.07202	4.3
210.02196	11.8
211.00623	1.4
219.02893	1.6
223.00546	3.9
224.03732	5.6
231.04303	4.5
232.05299	0.9
243.70628	0.9
247.06024	1.5
259.00568	5.8
267.04385	1.1
269.04330	0.9
275.05362	4.3
277.01627	3.6
281.05771	1.2
287.00104	8.1
295.02722	2.9
298.04648	2.7
302.04306	1.3
302.08005	0.9
303.05109	6.4
305.01105	4.8
314.99445	2.3
321.05966	4.1
323.02048	1.9
323.06915	1.4
327.06454	25.1
327.10349	1.5
331.02734	3.5
333.00656	13.7
341.07993	29.8
343.05963	1.2
351.01730	1.9
358.03705	1.9
359.02060	2.9
359.09103	4.9
377.03284	11.2
394.05884	6.5
399.08679	1.9
432.60703	0.9
445.24063	1.0
493.09000	8.4
511.10156	38.0
512.10071	0.9
533.08740	1.6
551.01288	1.9
551.09631	32.7
552.09460	1.1
640.13940	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.3
53.03944	11.5
55.01859	5.6
55.05509	21.2
57.03415	8.3
57.07066	2.4
59.04989	2.7
65.03934	3.8
66.41134	1.2
67.05502	83.4
69.03423	22.1
69.07064	24.7
71.01357	1.9
71.04996	39.5
73.02934	1.7
79.05496	46.9
81.03419	52.5
81.07055	100.0
83.04980	15.4
83.08621	14.2
85.02901	7.6
85.06532	10.9
87.04461	2.2
91.05482	46.2
93.07039	51.3
95.04964	15.4
95.08597	25.6
97.02885	17.0
97.06516	13.6
97.10161	5.9
99.04447	7.5
99.08099	4.0
105.04533	1.5
105.07036	21.0
107.04945	7.7
107.08595	34.4
109.02890	13.5
109.06516	6.6
109.10148	11.8
111.04428	6.6
111.08079	6.8
113.06029	1.8
115.05416	1.7
117.07016	13.4
119.08564	9.9
121.06498	3.0
121.10139	16.4
123.04391	1.7
123.08094	3.7
123.11718	9.1
125.09623	2.6
127.03963	8.3
129.07031	4.6
131.08580	13.5
133.06505	1.9
133.10139	18.0
135.08034	4.1
135.11719	10.7
137.05998	2.4
139.11191	2.1
143.08580	2.3
145.06525	1.8
145.10136	5.2
147.08032	2.2
147.11674	10.4
149.09538	1.5
149.13249	27.3
151.11176	7.3
157.10104	4.1
159.11658	12.6
163.11208	3.2
165.12706	3.1
169.10104	2.4
169.12213	1.8
171.08087	1.9
171.11682	1.8
173.04448	12.5
175.11198	3.4
177.12769	7.6
179.14287	2.0
181.12282	2.8
183.13805	5.8
187.13298	9.2
193.12221	4.4
195.13792	16.4
201.15109	1.4
209.11722	2.4
211.13252	2.2
213.14899	4.4
227.12758	3.8
253.17972	1.9
267.15924	3.0
267.90015	1.2
269.17529	10.3
275.16483	2.0
275.20148	2.4
283.18994	5.5
291.19470	3.1
295.15372	1.7
297.17206	1.7
303.15955	2.1
317.23294	1.3
321.17126	3.3
339.17923	7.2
377.19821	3.1
395.20734	4.3
421.29510	3.1
423.27460	1.4
435.31198	2.0
437.28961	20.6
451.30615	9.0
453.32159	2.8
463.30807	6.6
477.27673	1.7
495.32916	4.5
545.31512	1.5
607.34772	12.4
639.37231	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	639.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34289	2.3
53.03940	9.8
55.01865	6.0
55.05516	23.2
57.03438	9.3
58.82335	2.1
61.17985	2.2
65.03948	2.2
67.05508	30.0
69.03436	15.7
69.07066	6.0
69.43573	2.3
69.43903	22.8
71.04997	7.3
79.05490	28.8
81.03418	100.0
81.07059	36.7
83.04971	22.4
83.08630	23.3
84.41940	2.4
85.02899	18.9
85.06573	4.1
91.05481	33.7
93.07058	19.8
95.04957	31.2
95.08610	11.6
97.02889	14.8
97.06536	5.5
97.10156	7.9
99.04466	6.5
105.07040	28.5
107.04944	12.0
107.08627	11.8
109.02870	13.4
109.06529	5.8
109.10152	6.4
110.81927	2.3
111.04427	13.3
111.08092	10.2
115.05517	2.8
117.07028	3.3
119.08569	18.6
121.06496	6.9
121.10132	10.0
123.04407	5.3
123.08082	3.2
125.09588	4.7
127.03926	8.4
129.05490	2.6
129.06985	14.4
131.08604	12.1
133.06514	3.2
133.10141	9.9
135.04407	2.6
135.07983	2.7
135.11697	4.1
145.06470	5.1
145.10124	3.4
147.08067	7.3
147.11697	16.8
149.09642	5.4
155.08482	2.2
157.10152	10.9
163.11159	4.3
165.12750	4.4
175.11214	15.2
181.12155	5.1
193.12230	43.4
210.72337	2.2
211.13298	71.7
212.13673	3.3
227.12831	6.6
232.73436	2.2
235.13182	3.2
243.08934	2.3
247.13695	2.4
247.53432	2.5
253.22176	2.3
253.86955	2.2
267.15952	21.2
273.14914	4.6
285.17026	8.9
301.14484	3.8
337.16431	3.6
355.17581	7.0
367.22354	2.9
382.96378	2.7
385.23734	5.7
411.20020	4.4
429.20273	2.6
449.29178	3.3
459.27231	10.5
477.28485	10.2
495.29590	13.3
603.31830	3.5
615.01831	2.3
621.32422	7.0
639.33783	28.0
640.34100	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	639.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.1
51.97466	0.9
53.03942	6.5
55.01878	5.9
55.05264	1.6
55.05511	20.3
57.03443	7.2
57.48335	0.9
59.05001	0.9
65.03946	1.9
67.05172	1.6
67.05505	22.7
69.03073	1.5
69.03426	14.1
69.07075	6.0
69.43954	8.4
71.01367	1.1
71.05001	7.2
72.36417	0.9
79.05489	26.1
81.03417	100.0
81.07050	30.6
83.04985	19.5
83.08620	20.0
85.02422	1.8
85.02905	22.5
85.06537	1.5
91.05482	30.4
93.07043	17.1
95.04968	28.9
95.05568	2.0
95.08609	9.5
97.02889	14.3
97.06554	5.0
97.10152	4.9
99.04456	4.7
99.08088	1.3
101.02344	1.0
103.05460	1.1
105.07033	24.3
107.04945	8.6
107.08595	10.4
109.02882	15.5
109.06533	5.5
109.10160	4.7
111.04453	13.9
111.08076	11.2
113.06050	1.8
115.05445	2.4
117.07021	4.1
119.08580	21.5
121.06511	3.2
121.10136	9.0
123.04456	3.0
123.08055	2.3
123.11694	1.6
125.09650	4.2
127.03896	8.4
128.06276	1.2
129.05493	2.2
129.06992	9.0
131.08556	10.5
133.06500	3.5
133.10152	8.6
135.08073	1.7
135.11696	3.1
137.06041	1.9
137.09647	2.6
142.07790	3.7
143.08562	2.4
145.10104	5.2
147.04419	1.4
147.08083	4.8
147.11699	17.6
149.06006	1.3
149.09634	5.2
151.03889	1.0
153.05443	1.3
153.12755	2.1
155.08536	1.2
157.10114	12.3
161.06021	1.2
161.09647	1.1
162.38570	0.9
163.11285	4.5
165.05573	1.1
165.12730	5.5
167.07101	1.5
171.08026	1.1
171.11687	1.1
173.04498	2.0
173.05965	1.1
173.09738	1.2
175.11189	13.3
181.12263	3.7
183.06520	1.1
189.05412	1.3
189.11310	1.8
191.10724	3.9
193.12239	47.1
199.11079	1.0
209.11707	1.1
211.13289	66.1
212.13567	1.2
217.12274	1.0
227.12772	6.9
229.14389	1.9
231.13718	1.2
235.13225	1.7
246.90057	1.0
249.14954	2.0
267.13330	1.8
267.15924	16.4
273.14859	2.9
277.14291	1.2
283.15564	1.4
285.16992	12.1
289.14304	1.1
301.14380	2.9
313.16571	1.2
319.15399	2.5
337.16443	4.0
349.21603	1.2
355.17566	8.3
375.17737	1.0
385.23651	3.4
393.19302	2.2
403.24805	1.7
411.20148	5.5
429.20926	1.8
459.27350	7.8
477.28424	9.2
495.29575	11.1
496.29990	1.0
561.30798	1.3
567.29376	1.4
585.30469	2.6
603.31879	1.7
621.33179	7.5
639.24152	1.9
639.33667	33.6
640.34344	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	14.1
55.01878	19.3
55.05511	36.4
57.03444	12.4
57.07056	3.5
59.05003	2.1
65.03918	4.1
67.05505	100.0
69.03429	41.2
69.03774	4.9
69.07063	28.7
69.91473	14.0
71.01353	3.8
71.04991	13.9
72.24833	2.0
73.02918	2.7
77.06596	2.2
79.05066	4.2
79.05495	60.5
81.03418	83.7
81.07057	82.4
82.97805	2.1
83.04990	23.4
83.08612	20.1
85.02896	17.7
85.06535	5.6
87.04475	3.0
91.05481	48.2
92.21221	2.2
93.07042	62.4
95.04968	23.4
95.08609	35.2
97.02889	31.5
97.06531	20.3
97.10148	13.2
99.04424	9.6
99.08107	3.8
105.07033	33.7
107.04971	16.8
107.08592	43.1
107.52710	2.5
109.02868	31.7
109.06516	12.6
109.10158	27.7
111.04425	11.8
111.08067	6.9
115.05433	3.3
117.07028	21.8
119.00388	2.0
119.04958	2.2
119.08571	24.6
121.06486	7.1
121.10133	20.5
123.04412	5.0
123.08086	5.3
123.11707	3.4
125.05959	2.3
125.09624	12.5
127.03917	26.5
129.05460	2.8
129.07004	6.7
131.04948	2.7
131.08566	22.5
133.06439	2.4
133.10139	20.0
135.04395	3.5
135.08023	9.2
135.11696	19.7
137.09628	4.8
141.06960	3.8
143.08539	6.5
145.06448	5.5
145.10107	19.6
147.04308	2.8
147.08052	5.6
147.11649	11.3
149.09619	4.8
149.13298	18.4
153.12752	14.1
155.08527	5.7
157.10112	6.6
159.08035	2.7
159.11653	12.8
161.09639	5.9
163.11159	23.2
165.12793	3.0
169.10054	3.3
171.08057	2.6
171.11766	2.5
173.04453	26.6
173.09613	6.8
173.11691	5.2
175.11237	2.5
177.12711	5.6
179.14310	2.7
181.10208	3.6
181.12234	8.6
183.06494	2.2
183.11693	4.1
183.83008	2.5
185.13109	3.2
189.11189	4.7
191.10652	11.5
193.12267	4.5
195.13776	9.9
209.11722	29.5
213.12772	2.8
213.14755	3.7
227.12784	28.5
229.14334	4.1
267.15872	2.6
269.17529	13.4
273.18420	4.2
275.16574	2.6
275.20050	8.0
283.15491	6.2
286.98755	2.6
291.19537	6.4
301.16373	2.6
303.15640	3.9
353.15930	4.6
395.73044	2.4
409.18689	3.6
423.27402	7.3
427.19437	6.5
428.53287	2.3
435.28180	2.6
459.27264	5.6
477.28500	11.9
495.29501	8.2
541.35620	4.0
621.32257	9.1
639.33337	40.0
639.42554	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.2
55.01864	8.7
55.05261	2.1
55.05508	22.0
57.03438	9.6
63.01339	1.4
65.03938	2.4
67.05505	29.2
67.06824	1.7
69.03130	1.5
69.03430	17.8
69.07063	10.4
71.05003	10.1
71.37300	1.5
77.49110	1.8
79.05494	32.6
81.03419	100.0
81.06581	2.3
81.07055	43.5
81.66075	1.4
82.07399	2.0
83.04987	26.2
83.08620	27.0
85.02907	20.6
85.06549	2.4
91.05485	39.5
93.07046	26.0
95.04970	40.0
95.08615	13.2
97.02898	17.4
97.06540	10.2
97.10163	5.5
98.20763	2.6
99.04438	7.0
103.03988	1.7
103.05475	2.0
105.07033	31.9
107.04978	12.0
107.08582	14.2
109.02870	17.3
109.06534	8.2
109.10141	5.8
111.04448	16.1
111.08090	9.8
115.05437	4.4
117.07008	7.0
118.79735	1.6
119.08578	21.8
121.06492	5.4
121.10139	13.6
123.04421	2.6
123.08096	2.3
123.11677	2.0
125.09650	4.7
127.03906	13.4
129.05467	4.1
129.07005	10.7
131.04930	1.7
131.08551	15.3
133.06493	5.4
133.10141	13.5
135.08069	5.1
135.11661	4.7
137.05963	2.9
137.09595	3.7
139.03883	2.1
142.07797	3.5
143.08592	2.7
145.06522	2.4
145.10066	5.4
147.08060	5.8
147.11681	21.5
149.05989	3.0
149.09590	5.7
151.11165	1.8
153.12749	3.8
157.10124	13.2
159.11568	2.7
163.03925	2.4
163.11246	7.3
165.12744	5.3
173.04448	3.8
175.11232	13.2
181.12247	4.1
183.06570	2.1
189.11130	1.9
191.10661	3.9
193.12245	48.2
209.11612	2.4
211.13290	70.7
212.13698	2.1
213.14622	1.5
227.12782	8.5
229.14381	2.4
235.13374	3.3
249.14847	3.0
252.67589	2.0
255.13771	1.7
262.86340	1.6
265.14398	1.7
267.13403	2.7
267.15930	21.1
273.14780	2.5
283.15515	2.6
285.10226	1.7
285.17029	12.7
289.60193	1.6
292.33136	1.5
301.14294	4.1
319.15518	1.9
337.16333	3.3
355.17413	6.2
385.23615	4.5
393.19147	4.4
411.20120	6.9
429.21075	3.5
459.27048	7.4
477.28345	11.7
495.29498	16.8
511.28171	2.3
587.36475	1.8
603.31140	3.1
621.32971	8.6
639.33734	34.1
640.33496	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23870	12.8
56.84971	13.7
71.58759	15.6
139.20993	14.0
155.74995	13.5
280.30334	14.2
311.41418	14.6
459.21570	58.2
491.51852	14.8
606.28693	100.0
607.25000	19.2
639.27747	25.9
659.51025	15.9
667.44891	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	637.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33492	1.0
53.03947	3.4
54.90021	1.2
55.01862	3.4
55.05514	6.0
57.03442	17.4
57.07079	24.1
61.02928	53.2
61.04552	1.3
61.73591	1.1
67.05500	12.0
69.03430	19.2
69.07073	7.6
69.27904	1.3
69.28223	14.8
71.01362	2.7
71.04977	2.9
71.08631	19.2
73.02917	17.4
79.05474	5.9
81.03416	17.0
81.07059	14.6
83.04987	2.9
83.08612	9.3
85.02907	69.3
85.10195	8.2
87.04461	3.3
89.00378	1.1
89.06041	1.6
91.03407	2.1
91.03954	37.0
91.05461	6.2
92.79754	1.2
93.07072	5.8
95.04977	3.0
95.08606	16.3
97.02894	56.9
97.06545	1.3
97.10162	4.9
98.21611	1.6
99.04451	9.1
101.02378	6.1
103.03951	8.5
105.07027	2.7
107.04992	1.7
107.08605	1.6
109.02876	12.5
109.06526	1.5
109.10142	10.5
111.04452	3.0
111.11729	2.1
115.03937	5.5
117.05508	1.4
117.06988	1.4
119.08548	2.3
121.10182	1.1
123.11763	2.9
125.13250	1.1
127.03918	25.5
129.05472	4.1
129.06964	1.3
131.08563	2.0
137.13260	2.4
145.04951	14.6
145.10126	1.7
147.11678	1.8
151.14803	1.4
159.06529	1.9
163.06000	3.6
165.32095	1.1
183.06549	10.4
201.07556	6.5
207.14024	1.2
219.08569	1.2
221.22754	1.7
239.23694	18.4
257.24704	2.3
272.01413	1.2
313.27365	100.0
314.27774	1.3
341.26804	3.4
355.28464	3.5
363.42297	1.3
378.85638	1.2
397.29565	2.6
421.29465	1.6
439.30362	2.4
450.70715	1.2
455.25870	1.3
457.31635	10.6
475.31387	1.7
637.39661	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	637.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.7
55.01856	1.9
55.05501	8.7
57.03443	17.6
57.07076	24.8
61.02927	55.2
67.05508	13.2
69.03434	22.9
69.07067	9.7
69.61230	11.1
69.61642	2.9
71.01361	3.0
71.05006	4.4
71.08632	19.4
73.02923	21.2
79.05476	7.1
81.03071	1.7
81.03425	19.7
81.07053	17.4
83.04980	4.0
83.08623	9.6
85.02901	59.2
85.10168	10.8
91.03411	2.6
91.03953	33.4
91.05475	4.0
93.07047	8.1
95.04992	2.9
95.08596	17.0
97.02889	56.3
97.10184	5.3
98.20838	3.2
98.98484	1.7
99.04482	11.6
101.02388	6.1
101.48143	1.8
103.03947	10.1
103.91105	1.8
105.07008	5.7
107.04981	2.7
107.08572	3.1
109.02869	12.7
109.06544	2.4
109.10143	9.0
110.97950	2.1
113.92374	2.1
115.03922	6.5
119.08582	3.0
123.11742	2.5
127.03912	25.1
129.05489	5.2
131.08609	3.5
141.77824	2.0
143.08583	2.3
145.04970	14.8
145.10159	3.1
159.06612	3.2
163.05933	2.3
171.06581	2.0
172.10234	2.0
173.05942	3.6
183.06544	10.2
201.07597	7.9
215.67064	2.3
218.83447	1.8
221.22652	3.3
239.23691	19.3
257.24829	2.1
277.82971	2.0
313.27359	100.0
315.12924	1.9
329.87225	2.0
341.26935	4.6
355.28244	2.5
457.31674	9.0
539.37482	2.9
565.79749	2.2
637.39368	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	637.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	17.3
55.01897	4.7
55.05508	25.0
57.03434	20.6
57.07067	3.6
58.17168	3.2
65.03934	3.9
67.05502	88.8
69.03419	23.1
69.07051	20.4
69.44366	33.0
71.04989	11.4
79.05493	81.2
79.05962	4.4
81.03420	50.9
81.07057	100.0
83.04977	29.9
83.08613	15.5
84.19328	3.1
85.02912	14.6
85.06541	6.8
87.19718	3.1
91.05482	78.6
92.05872	3.4
93.07046	85.6
95.04964	32.8
95.08599	35.9
97.02909	14.1
97.06528	11.7
99.04482	5.5
99.08059	4.5
105.06364	6.1
105.07027	51.5
107.04945	9.3
107.08575	25.1
109.02894	9.6
109.06551	10.4
109.10148	11.6
111.04446	5.5
111.08089	8.1
115.05456	3.7
117.07017	25.3
119.08566	31.8
121.06474	9.3
121.10120	16.4
123.08054	5.5
127.03923	8.3
128.06207	8.1
129.05499	6.7
129.07005	25.1
131.08592	18.7
133.06485	5.9
133.10129	14.3
135.08060	6.5
135.11679	9.3
138.06726	3.5
143.08511	17.1
145.06473	6.8
145.10139	10.6
147.08055	5.4
147.11728	28.3
149.09738	4.5
149.13264	28.5
157.06529	4.0
157.10129	5.2
159.08086	4.6
159.11662	8.5
161.09645	4.7
161.13271	11.9
169.10164	5.2
171.08119	6.1
171.11699	19.0
173.04515	6.3
173.13274	5.5
175.11255	4.4
177.12740	8.5
181.10274	3.3
185.09679	5.8
189.12762	7.1
195.13704	8.9
207.13770	23.8
225.14929	5.4
241.15813	6.3
259.16925	4.2
269.15305	4.4
269.17551	37.9
281.17297	21.7
287.16422	11.7
339.18353	5.8
341.39166	3.4
361.19882	5.8
413.21857	9.8
475.30588	73.9
489.31982	4.3
493.69434	4.2
519.46118	3.8
542.01886	3.8
555.33386	5.5
619.34546	14.4
637.39404	7.1
651.00507	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	637.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.0
67.05515	0.2
69.03427	0.4
69.07066	1.4
70.06595	0.3
70.15605	0.4
70.16016	0.7
73.02912	0.4
81.03416	0.2
82.97034	0.2
84.08136	0.7
85.02895	0.3
85.05536	0.2
91.05415	0.2
94.06548	0.2
95.04945	0.2
96.04468	0.3
97.06547	0.4
108.04449	0.4
112.07617	0.3
120.08102	0.2
122.06017	0.6
124.07561	0.2
127.03936	0.2
136.07559	0.5
137.06003	0.2
139.03838	0.2
140.07074	2.9
146.06056	0.2
147.06784	0.4
148.07574	3.2
150.05411	0.3
158.09627	0.2
160.07574	0.4
164.07065	0.2
168.06548	2.5
168.13370	0.2
170.09631	0.2
173.07135	0.3
174.05542	0.5
174.07846	0.3
174.09209	0.4
181.08826	0.3
183.00755	0.2
188.07123	0.2
197.10742	0.3
198.09151	1.1
199.08670	3.5
199.12289	0.2
201.10298	0.2
202.08644	0.3
203.09436	0.4
203.12384	0.2
206.89853	0.2
210.09209	0.3
211.08525	0.3
211.12399	0.2
212.09430	0.7
213.10243	1.2
214.10933	0.6
215.11842	1.3
224.10730	0.5
225.10223	3.4
226.08817	0.9
226.10651	0.4
227.08156	1.1
227.11755	2.0
228.12308	0.2
239.11737	0.4
241.09705	0.8
241.13371	0.8
242.10541	0.6
243.11311	1.3
251.11832	0.4
252.10178	0.6
253.13170	0.2
255.11284	13.0
256.11600	0.3
263.59872	0.2
269.12881	3.4
270.11118	0.3
287.13898	0.8
297.12341	5.8
298.13107	0.2
299.13876	0.8
303.05035	0.3
305.14917	0.5
315.13373	100.0
316.13797	3.7
317.14908	0.3
377.01825	0.3
601.25989	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	2.2
57.07058	2.8
60.90454	2.2
67.05489	5.1
69.25439	6.8
69.25848	24.4
81.07057	3.3
107.08621	3.5
109.10167	3.1
135.11655	2.7
140.47340	2.4
145.10150	2.8
177.80391	2.7
225.79500	2.8
230.50598	3.1
276.37094	2.5
324.95306	3.2
344.48608	2.3
400.17126	4.2
407.22253	3.6
413.17511	4.7
414.18637	4.8
415.19199	10.2
421.19742	3.1
428.20248	4.9
429.20859	8.3
444.19257	6.4
445.20200	6.2
457.20343	4.8
458.21414	4.8
471.21719	8.9
472.22662	6.7
484.19727	3.0
485.19394	4.0
486.20462	9.7
487.20856	3.0
499.21252	9.3
503.25052	3.0
517.22089	4.1
531.23602	12.2
539.39447	9.7
559.23395	100.0
560.23737	4.0
587.22650	11.6
608.73718	3.5
619.25458	82.2
637.26208	5.3
637.40607	5.0
655.52344	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	637.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.7
55.01867	5.2
55.05492	13.1
56.96545	4.1
57.03435	42.6
60.18253	3.8
61.02918	11.2
61.36377	3.9
63.90401	4.8
64.83884	4.0
67.05486	19.0
69.03422	8.8
69.07056	8.1
70.04688	22.0
70.06573	5.4
71.04971	8.1
79.05489	26.2
81.03413	28.1
81.07059	23.5
83.04968	7.6
83.08605	7.7
85.02887	18.5
91.05473	17.7
93.07034	12.4
95.04956	16.6
95.08591	12.1
97.02874	12.6
98.20856	5.3
99.04459	32.3
100.41185	4.7
103.03927	18.1
103.05466	4.3
105.07013	18.5
107.04950	21.9
107.08578	10.1
109.02882	26.1
109.06522	4.7
109.10153	7.8
109.12766	4.3
117.05499	100.0
117.06988	12.1
119.04953	6.6
119.08567	11.7
121.02775	4.6
121.10143	9.0
122.05988	6.2
123.04420	7.4
123.11705	5.4
127.03909	26.8
128.06190	6.0
129.07022	10.6
131.04869	5.0
131.08525	12.8
133.10104	9.9
135.11687	5.4
136.07599	12.2
137.05917	8.2
139.03915	7.8
145.06445	13.6
145.10077	11.2
147.04420	5.7
147.11703	6.6
153.01785	4.0
156.05717	11.6
157.08690	9.1
159.07997	7.1
161.06009	6.2
163.03883	5.3
163.11198	5.8
167.07040	76.0
169.07594	5.9
173.04512	4.9
173.05968	13.2
175.07588	4.8
179.07076	6.3
181.04994	4.8
181.12260	4.9
183.06482	8.2
187.07524	9.2
190.06342	6.4
191.10565	6.0
195.06442	5.4
201.07584	41.8
205.08617	15.9
207.06458	7.2
208.05081	7.2
209.08070	4.8
211.07547	5.1
217.08606	44.8
219.08443	6.4
225.05438	4.1
238.06337	5.1
241.08679	6.5
247.09688	12.8
254.05598	8.3
269.08121	17.0
271.09683	4.5
277.08521	4.8
279.12338	6.8
286.08337	4.3
293.07785	4.9
299.09152	6.3
308.21161	5.0
315.08640	66.3
323.12674	6.2
329.10254	22.0
330.11020	79.2
331.11780	4.4
337.10562	4.6
351.12161	12.0
369.13266	12.1
383.14743	14.4
383.22379	5.3
387.13586	4.1
401.15851	18.4
404.14575	56.2
417.15314	6.1
443.16879	15.2
452.21747	16.7
456.21173	14.1
457.18591	13.2
475.19418	26.1
475.26752	13.8
593.28058	4.9
632.86829	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	637.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	1.6
57.10296	0.8
67.05505	1.4
69.03413	3.1
71.16756	2.1
79.05484	1.1
81.03407	1.7
81.07049	1.4
85.02893	4.1
91.05474	48.6
95.04949	1.4
97.02882	4.7
103.05450	2.2
105.07026	18.8
107.04952	1.7
108.18278	0.8
115.05447	20.6
117.06993	2.1
121.06492	2.6
123.04406	5.7
127.03871	1.9
131.04817	0.9
133.06459	2.5
134.91725	1.0
137.05949	4.3
145.04916	1.2
149.05978	1.6
153.05440	2.1
161.05988	8.7
178.07726	1.2
179.08563	4.6
196.08818	1.1
196.46738	0.8
207.07980	1.8
208.08864	2.0
211.11211	3.0
224.08287	4.9
239.10651	46.0
257.11716	100.0
362.75357	1.0
371.17249	1.2
557.18427	1.1
667.47247	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1031
Annotation	1,2,6-tri-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.03930	0.4
61.88748	0.3
65.20992	0.3
69.03413	1.3
70.97715	0.6
79.01855	3.2
81.03413	2.3
83.29835	0.4
85.02904	0.8
86.09743	0.4
97.02885	1.5
106.89357	0.3
107.01276	0.8
109.02863	0.6
123.00804	0.4
125.02355	3.0
127.03882	1.1
127.40511	0.3
139.03888	0.4
143.03384	6.5
153.01822	100.0
154.02174	0.8
171.02824	0.7
297.06046	1.8
305.02905	10.7
315.07083	0.9
330.41724	0.3
389.15765	0.6
449.07056	1.2
467.07919	0.7
537.45477	0.3
637.33313	0.4
652.37128	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
55.01871	1.6
55.05514	13.8
56.96564	1.3
57.03437	15.1
57.07093	1.6
57.18730	1.3
58.45302	1.2
59.04991	2.9
61.02919	5.8
62.29056	1.4
65.03930	1.8
67.05502	83.9
69.03429	4.1
69.07056	6.4
69.85318	8.7
71.04991	5.7
73.02928	2.1
78.30197	1.4
79.05487	16.2
81.03413	46.2
81.07054	25.5
83.04985	11.6
83.08611	16.0
83.09050	1.7
85.02894	19.2
85.06554	4.1
91.03966	2.5
91.05474	26.8
93.07039	13.1
95.04968	21.7
95.08614	12.0
97.02891	5.9
97.06516	1.7
97.10172	3.6
100.07625	1.3
105.07026	16.3
107.04953	6.3
107.08602	8.7
109.06497	3.3
109.10149	70.8
111.04455	4.0
111.08062	10.3
113.05957	1.7
115.62436	1.3
119.04918	1.6
119.08572	16.6
121.10126	9.0
123.08064	2.3
125.09679	1.6
127.03927	1.8
127.51796	1.3
129.06995	8.4
131.04900	1.6
131.08554	6.9
133.06491	3.0
133.10147	7.3
135.11719	2.3
137.09618	3.6
139.03900	1.7
142.07773	2.5
145.10132	2.2
147.11696	10.1
149.09598	4.5
155.10651	2.6
157.10150	9.2
163.11218	3.2
165.12785	2.0
172.67934	1.3
173.11736	17.5
175.11166	12.4
193.12210	27.2
211.13271	49.6
227.12830	2.4
229.14340	59.1
267.15854	13.4
285.16953	35.1
421.25818	13.6
439.26904	100.0
440.27200	5.7
603.42719	1.6
637.31964	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	635.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51188	0.6
67.05526	1.0
71.58643	0.9
71.59022	0.9
79.05524	0.6
90.97875	0.6
181.20177	0.7
190.80936	0.7
202.27065	0.7
240.53038	0.7
395.07935	0.7
534.60657	0.7
534.90277	0.7
545.34015	1.2
635.43384	100.0
636.43671	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	635.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39080	0.6
56.09767	0.7
58.58635	0.7
77.42910	0.7
110.95052	0.7
126.67952	0.6
169.65387	0.7
252.92125	0.7
302.02509	0.8
576.05542	0.7
617.20746	0.9
635.41290	100.0
636.41272	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	635.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.6
55.05509	7.4
55.40698	2.2
57.03414	3.4
57.07067	3.8
67.05501	22.3
69.07069	15.4
71.58767	2.2
71.59132	2.8
73.02929	3.6
79.05475	14.6
81.07050	46.8
83.08611	8.5
85.02896	17.2
91.05482	10.1
93.07037	35.4
95.01327	43.0
95.04972	3.7
95.08605	92.9
97.10155	5.7
99.00821	2.8
103.03972	4.7
105.07029	36.5
107.08595	51.5
109.06480	4.5
109.10155	55.2
111.08075	20.7
113.02332	4.9
115.69409	2.3
117.06992	2.5
119.08576	45.4
121.10143	46.7
123.00813	2.5
123.11713	24.7
125.09647	3.1
131.03418	4.2
131.08546	13.8
133.10123	45.5
135.11684	33.5
137.13260	7.7
139.11195	6.2
141.01822	100.0
145.10098	16.5
147.11694	32.7
149.13266	33.4
151.11209	4.5
157.10143	6.6
159.02852	11.5
159.11700	23.3
161.13243	38.0
163.11172	3.1
163.14815	28.9
165.12779	2.9
165.16399	2.2
171.11737	4.8
173.13248	18.6
175.14832	22.6
177.03969	3.5
177.16380	29.1
185.13205	4.9
187.14810	14.5
189.16371	26.5
191.17943	11.8
193.15898	6.6
195.17450	9.7
199.14783	5.8
201.16394	18.9
203.17957	40.4
205.15897	6.8
205.19595	4.0
207.17464	10.6
213.16328	4.3
215.17975	21.4
217.15977	3.2
217.19463	18.3
219.17387	13.6
221.19012	10.4
227.17949	5.8
229.19511	28.6
231.17406	3.3
233.19009	8.6
243.21106	7.4
245.19051	3.8
247.20554	14.8
255.21022	3.2
257.22662	5.3
261.22141	5.6
269.22543	5.6
273.22067	5.6
275.23669	3.5
297.25784	3.9
315.27005	4.6
329.28241	2.6
365.32162	5.0
383.33084	6.6
405.35071	14.4
411.36276	4.9
423.36179	83.1
441.37244	40.2
477.33960	2.4
550.07983	3.2
581.38361	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	635.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.9
53.03948	12.3
55.01868	7.7
55.05507	24.8
57.03428	8.4
65.03933	5.2
66.81416	2.2
67.05505	58.7
69.03429	21.6
69.07079	11.5
70.13074	8.2
71.04990	8.7
79.05495	67.8
81.03419	100.0
81.07056	49.8
83.04986	21.7
83.08617	20.1
85.02906	16.7
87.92440	1.9
91.05474	70.0
93.07042	51.7
95.04968	38.7
95.08604	26.2
97.02884	21.0
97.06528	6.8
97.10171	6.6
99.04450	5.2
99.08101	2.7
105.07034	48.6
107.04945	12.5
107.08591	18.3
109.02877	18.1
109.06533	7.3
109.10149	6.8
111.04464	18.1
111.08079	9.0
117.07005	14.7
119.08586	27.3
121.06458	6.0
121.10147	9.5
123.04401	2.4
123.08038	5.6
123.11656	3.1
125.09594	3.2
127.03887	6.6
128.06224	3.7
129.05493	3.0
129.07014	25.3
131.08577	13.0
133.06543	3.6
133.10121	13.2
135.08087	2.2
135.11659	4.4
137.09605	2.7
143.08554	9.0
145.06493	3.4
145.10078	10.7
147.08015	3.8
147.11693	33.2
149.09608	5.0
153.09151	2.4
157.10175	8.4
161.09645	4.5
161.13275	8.5
163.11174	6.5
165.12781	3.3
171.11699	19.6
173.04425	3.1
175.11230	6.8
179.14333	2.2
181.12309	3.2
189.12753	9.6
191.10683	6.6
193.12234	26.8
207.13773	24.4
211.13280	46.6
225.14899	3.3
227.12794	7.3
267.15875	6.2
277.74725	3.1
281.17465	13.4
295.50793	2.1
337.16589	4.8
355.17352	10.4
411.20020	8.0
473.28580	8.0
489.27499	2.2
491.30588	9.9
617.33026	4.3
635.34192	57.2
636.34540	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	635.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	13.4
55.01869	6.8
55.05515	23.8
57.03428	9.4
65.03929	6.1
67.05506	58.1
69.03429	15.1
69.07077	13.9
69.51929	19.3
71.04987	7.7
73.02904	2.4
79.05495	69.7
81.03421	100.0
81.06585	2.5
81.07060	50.3
83.04978	25.5
83.08619	17.8
85.02910	18.1
85.06560	2.3
85.15134	2.0
85.53108	1.9
91.05484	65.0
93.07043	56.0
94.26459	2.5
95.04976	41.0
95.08619	28.4
96.92681	2.0
97.02892	18.8
97.06542	8.5
97.10165	8.1
98.20739	2.9
99.04468	3.5
99.08070	2.4
102.11848	2.2
104.47411	1.9
104.52567	2.1
105.07030	51.7
107.04958	13.6
107.08605	20.8
109.02882	19.0
109.06520	7.5
109.10149	8.8
111.04440	12.3
111.08109	7.2
115.05465	5.0
117.07019	13.5
119.08585	35.2
121.06513	7.2
121.10185	11.9
123.04427	6.1
123.08092	4.5
123.11677	3.7
125.09619	3.6
127.03949	10.6
128.06255	5.2
128.22952	1.9
129.07022	24.5
130.07750	2.6
131.04982	3.1
131.08559	16.2
133.06483	7.0
133.10156	14.2
133.29631	1.9
135.08015	3.6
135.11679	6.7
137.09604	3.0
139.03896	3.1
141.06943	3.5
143.08554	9.3
145.06465	6.0
145.10112	17.9
147.04414	3.9
147.08040	4.9
147.11684	38.2
149.09572	3.9
155.08553	2.6
157.10139	12.6
159.11694	2.5
161.09659	4.0
161.13269	9.9
163.03941	2.9
163.11183	5.8
165.06950	2.6
165.09129	2.3
165.12830	5.7
167.08589	2.5
169.10135	4.8
171.08127	2.5
171.11673	23.3
173.04492	3.2
175.11197	11.8
181.04866	2.6
181.12173	2.8
185.13263	2.3
189.11226	3.7
189.12769	12.5
191.10553	3.5
193.12244	28.0
207.13800	22.6
211.13277	34.0
227.12715	5.1
267.15839	12.9
269.15408	3.4
273.14810	2.3
281.17484	13.7
315.15848	3.1
337.16660	3.2
355.17413	6.0
411.20566	4.1
473.29013	18.5
491.30099	9.8
617.32819	5.3
635.34290	48.8
636.34113	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	635.2862
Annotation	Orthosiphol K
Peak:m/z	Relative Intensity
69.25756	1.8
69.26149	13.3
81.03376	1.6
119.08643	1.2
157.01971	1.2
213.33824	1.2
403.19339	2.6
404.19946	1.7
405.20969	2.3
415.19763	1.6
417.16537	2.2
417.21289	2.4
430.17963	2.1
431.18704	5.4
433.23895	4.2
437.71362	1.4
444.19095	1.8
445.19882	7.7
446.21024	3.4
459.22137	3.9
460.22635	2.8
461.23492	5.7
488.22153	4.7
489.22861	5.3
493.91074	1.5
528.33569	1.4
546.23267	1.3
547.27698	7.8
575.26514	22.9
607.28754	2.2
635.28662	100.0
635.39246	3.3
636.29138	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	635.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94932	0.8
56.96512	12.8
56.96812	0.9
57.53162	0.7
69.03380	1.7
69.81103	4.0
71.95227	1.4
73.02836	1.1
77.47034	0.6
82.36729	0.6
84.95977	2.5
84.96454	0.7
85.02841	2.8
85.06514	0.7
89.46032	0.8
95.66059	0.8
97.02824	2.6
98.20950	2.1
98.70274	0.7
98.97581	22.6
100.99120	0.9
102.97001	0.7
110.97528	2.4
112.99123	20.3
116.98624	24.5
119.01847	1.6
127.03851	0.7
128.98608	6.8
131.00172	53.6
133.03400	1.6
134.99661	12.2
136.06192	1.0
143.00096	2.1
145.01659	2.8
146.99661	7.0
149.01222	65.6
152.98410	0.8
153.00578	2.0
154.01720	1.7
158.99648	8.6
161.01236	5.1
161.02336	0.9
162.99049	1.1
163.02797	6.3
165.00627	1.6
167.02271	11.1
170.99596	2.8
171.04958	0.9
172.02773	2.1
173.01228	25.5
173.02719	1.1
175.02797	3.7
177.00729	12.9
179.02203	1.5
181.03793	1.7
185.12314	0.7
187.02805	5.7
187.04335	1.1
189.00708	4.0
191.02271	36.8
193.03859	10.0
195.01675	2.6
199.04483	0.9
200.02266	1.1
201.00652	3.6
203.02223	2.0
205.03815	8.1
209.01160	2.4
209.03249	2.7
211.04900	11.3
214.03836	2.2
214.96568	0.8
215.02103	1.2
217.03777	1.4
219.01770	20.2
219.07133	2.2
223.04982	1.1
227.02248	2.2
231.07080	2.4
233.03305	11.7
235.04871	1.9
237.02829	56.0
238.03168	1.2
242.03288	1.3
245.05093	1.8
247.04794	2.2
250.06879	0.9
255.03856	5.6
260.04431	2.9
261.02802	1.2
263.04385	5.0
265.05984	0.9
275.04382	9.0
277.05801	2.1
279.03717	1.5
281.05478	13.6
293.05426	13.9
295.07016	1.1
307.06958	1.4
321.10327	8.3
323.06531	1.2
323.10156	2.5
337.08051	98.8
338.08371	2.6
339.11584	1.1
355.09113	100.0
356.09515	2.3
357.09412	1.2
359.08325	1.2
367.09012	2.9
378.10712	7.4
397.10052	2.9
399.10815	0.9
460.06049	0.7
635.20721	33.9
636.20844	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.4
55.01875	0.3
57.03423	0.2
64.91692	0.2
67.01877	1.2
68.04972	0.2
68.99776	0.3
69.03417	1.1
70.87951	0.5
79.01853	2.0
81.03419	2.5
85.02901	2.2
85.92393	0.2
86.09679	0.2
86.33982	0.2
87.00797	0.2
94.71311	0.2
97.02896	1.6
97.11796	0.2
99.04446	0.4
101.71371	0.2
107.01314	0.7
109.02866	1.2
122.03657	0.4
123.04452	1.0
125.02344	2.5
127.03914	3.2
129.01776	0.3
137.05968	6.3
143.03378	4.7
145.04939	0.2
151.03889	4.2
153.01820	100.0
154.02162	1.3
167.07013	0.9
169.04955	13.1
171.02850	1.0
181.04933	1.3
181.41502	0.2
193.04958	0.9
211.06024	0.8
235.05910	0.3
259.06009	0.3
277.07117	0.4
297.06033	2.7
305.02896	11.2
315.07159	0.9
323.03983	0.5
357.13351	0.5
387.14307	0.9
449.07034	0.9
467.08032	0.6
591.21533	0.2
635.20227	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46432	0.9
55.47560	0.9
56.96565	15.1
67.05492	1.1
70.48707	1.9
71.95249	2.2
72.23183	1.0
98.21448	1.1
98.96938	1.6
98.97580	26.3
98.98202	1.8
108.60951	0.9
111.91375	0.8
116.98617	44.0
117.33909	0.9
122.80320	0.9
134.99658	55.9
140.00197	2.6
148.87831	1.0
153.00722	15.8
158.01212	5.3
176.02400	1.2
227.02214	2.4
243.09149	1.2
247.08572	1.1
255.09131	1.7
261.09952	1.2
269.08182	1.0
273.10281	1.9
313.04166	1.2
325.03799	5.5
343.04916	10.7
349.16714	2.6
366.06464	1.4
367.04886	100.0
367.17767	9.5
368.05191	1.5
368.90985	1.0
385.05948	48.5
385.19019	4.8
408.07547	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	633.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97763	5.5
53.03928	5.7
55.05501	20.7
61.77030	6.2
67.05168	8.9
67.05508	100.0
69.03418	31.8
69.07066	18.0
70.63189	5.8
71.04975	6.6
71.59260	12.5
74.07932	6.1
74.12019	6.4
77.36516	5.6
78.69907	5.1
79.05502	35.1
80.79195	6.2
81.03420	24.5
81.07050	50.7
91.05479	39.6
93.07053	38.5
94.02721	5.6
95.04976	16.4
95.08609	31.3
97.06516	8.9
97.10183	11.5
105.07019	27.5
107.08588	21.3
109.10161	66.2
117.06994	16.1
119.08575	27.7
121.10157	15.8
125.09649	7.6
127.03889	6.2
128.06155	8.1
129.07069	9.1
131.08572	20.5
133.10123	13.8
142.07800	6.6
143.08588	14.2
145.10114	15.6
147.11732	7.1
157.10229	8.3
159.11705	11.6
161.13321	6.1
171.11572	8.2
173.11790	17.0
189.11177	6.8
229.14311	15.9
341.90979	6.4
369.24164	12.2
387.25439	8.5
615.38953	8.4
633.39594	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	634.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20833	2.3
55.05509	2.3
57.07069	21.4
64.61208	2.1
64.94112	2.1
65.33200	1.9
69.07078	3.0
69.82680	12.4
71.08633	48.1
73.06543	3.5
81.07060	2.3
85.10175	23.5
87.04464	16.9
89.06028	100.0
91.05470	13.6
93.07040	8.4
94.07327	3.0
95.04990	3.0
105.07037	5.3
107.04954	4.8
107.07063	4.0
117.06987	3.4
119.04983	3.9
119.08572	4.7
120.19459	1.8
121.06493	25.1
130.08618	3.4
131.07063	7.6
133.08597	70.7
135.08058	7.5
147.08051	10.5
149.09613	8.4
150.06772	5.0
163.11150	5.0
165.09065	9.9
175.09669	3.2
177.11230	22.4
191.10744	4.0
209.11780	8.4
211.13307	2.9
221.13757	3.5
232.75104	1.9
239.14865	2.5
247.20593	18.7
273.22061	3.3
274.63135	2.4
283.17560	2.9
291.23190	36.6
335.25812	6.5
430.17746	2.2
491.29489	4.0
497.88477	2.2
617.42035	7.3
634.39935	6.7
635.40765	4.7
663.18817	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	633.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	2.3
53.03940	4.4
55.01866	5.2
55.05513	20.5
57.03430	6.5
57.07069	4.8
65.03934	3.2
67.05505	100.0
67.52402	2.2
69.03429	34.0
69.07069	15.0
69.44531	1.9
69.89752	3.9
69.90160	10.4
71.04993	5.8
71.08639	2.8
79.05498	32.9
79.25612	2.0
81.03425	23.9
81.07055	51.2
83.05015	3.2
83.08620	11.2
85.06532	2.5
89.32767	2.1
91.05485	37.0
93.07048	38.9
94.07378	2.1
95.04961	13.7
95.08611	26.7
97.02910	5.3
97.06538	4.7
97.10177	5.0
105.07028	24.7
107.04945	5.8
107.08590	20.8
109.02890	3.2
109.06497	5.7
109.10151	55.7
111.04431	6.2
111.08072	4.0
117.06998	13.5
119.08582	19.7
121.06525	2.8
121.10123	17.3
123.11765	3.2
125.09658	5.4
127.03949	3.1
129.05470	2.7
129.07042	9.6
131.08560	20.5
133.06509	2.9
133.10112	14.0
134.09717	2.6
135.08057	4.7
135.10541	2.4
135.11711	8.9
137.09644	7.5
143.08546	8.6
145.10115	13.5
147.08031	4.5
147.11703	9.9
149.09674	2.5
149.13297	2.5
155.08553	5.4
157.10173	6.3
159.08057	5.9
159.11734	9.6
161.09644	4.4
169.10115	5.2
171.11748	5.4
173.09612	2.5
173.11758	15.1
173.13222	5.1
175.11211	3.6
181.10121	2.5
183.11765	2.8
185.09760	3.8
185.13287	3.8
187.14812	2.8
189.11272	3.4
195.11690	2.4
196.03716	2.1
197.09528	2.6
197.13390	3.8
211.11478	2.4
225.16487	2.4
229.12285	3.9
229.14375	17.4
234.91791	2.6
236.18947	2.3
241.19739	2.3
259.20538	3.7
277.21671	3.0
289.21466	2.9
301.21652	6.5
319.22644	3.4
323.37357	2.1
327.23315	2.4
341.24960	3.3
345.24271	3.2
351.23380	4.4
351.78925	2.7
369.24451	11.3
369.28528	2.8
387.25241	5.5
443.27856	3.1
461.28952	4.6
561.06659	2.5
597.37335	5.0
615.39410	4.3
633.39978	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	633.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	6.3
55.01867	6.5
55.05507	20.5
57.03426	5.6
59.05008	2.8
65.03940	4.1
67.05505	100.0
69.03429	31.5
69.07057	14.0
70.09016	8.3
71.04980	6.0
78.45292	1.7
79.05492	26.5
81.03419	23.4
81.07052	38.7
83.04975	8.0
83.08614	9.8
85.02895	5.1
85.06538	3.1
91.05482	31.5
93.07042	32.7
95.04966	10.4
95.08608	23.2
97.02888	5.4
97.06499	4.5
97.10173	7.8
99.04457	2.6
105.07029	24.7
107.04949	3.8
107.08585	20.8
107.68458	2.4
109.02867	5.6
109.06506	4.8
109.10160	51.1
111.04443	4.6
111.08077	3.7
117.07041	13.1
119.08591	21.7
121.06496	3.8
121.10136	15.0
123.08083	3.3
125.09630	4.8
127.03912	3.9
129.07005	8.1
131.08572	20.5
133.06462	3.6
133.10132	12.7
135.08046	5.4
135.11684	8.4
137.09631	6.2
138.36594	1.9
141.06981	3.6
143.08566	9.3
145.06505	2.8
145.10112	12.3
147.08037	4.8
147.11685	5.4
149.13274	4.1
151.07501	2.4
155.08543	2.6
155.10689	2.8
157.10120	7.7
159.08067	3.3
159.11705	7.9
161.05972	2.0
161.09586	4.3
161.13264	4.7
163.11188	4.6
163.14728	2.9
165.09016	3.0
169.10092	4.5
171.11670	6.1
173.11758	14.0
173.13208	4.0
175.11134	2.6
175.14786	2.5
183.11534	2.6
185.09669	3.0
185.13275	3.9
187.11188	2.6
189.11220	4.2
197.13226	2.4
199.14713	2.3
229.14265	13.6
230.10138	2.4
259.20810	2.4
261.22061	3.0
271.66479	2.2
275.74057	2.3
299.14963	4.3
301.21542	5.5
303.22998	2.4
319.22998	2.8
323.23587	2.6
327.23270	3.3
339.22983	2.5
351.23087	3.8
353.24478	2.6
355.17487	2.3
369.24243	10.6
387.25003	3.8
461.28644	5.2
527.28546	2.2
597.37512	7.5
615.38531	6.3
633.39905	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	633.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.2
55.01874	4.0
55.05505	22.6
57.03435	6.3
57.07068	2.6
59.05006	4.9
65.03946	3.8
67.05505	100.0
67.28554	2.2
69.03427	27.9
69.07076	14.9
71.04990	4.1
71.59026	3.1
71.59399	2.8
79.05493	29.6
81.03432	18.9
81.07065	41.6
83.04989	8.5
83.08618	9.0
85.02901	3.4
91.05475	34.2
93.07040	33.2
94.73993	3.1
95.04969	15.0
95.08609	29.9
97.02885	3.4
97.06523	4.1
97.10155	5.1
99.04443	4.5
105.07033	24.7
107.04959	3.7
107.08596	20.3
109.02879	2.9
109.06506	5.4
109.10155	57.8
111.04435	6.4
111.08108	2.6
115.05379	2.9
117.07018	16.0
119.08585	19.8
120.45235	2.6
121.06522	7.2
121.10143	15.1
123.08067	3.4
123.11721	3.5
125.09622	5.7
127.04040	2.5
128.06224	3.2
129.07013	10.5
131.08560	20.7
133.06516	5.4
133.10091	12.7
135.11691	7.1
137.09619	5.4
141.06956	2.8
143.08559	8.2
145.06491	4.0
145.10133	14.4
147.08086	3.7
147.11725	8.4
149.09689	4.6
149.13205	5.4
155.08556	6.0
157.10144	8.0
159.08099	4.4
159.11665	12.4
161.13217	4.8
163.11176	3.3
169.10182	5.3
171.11655	5.3
173.11769	12.0
173.13188	6.0
175.14862	3.6
185.13287	4.4
189.11229	3.2
193.10135	3.7
197.13338	4.0
202.15932	16.6
207.11656	2.9
209.13353	2.9
227.12791	3.7
227.17819	2.8
229.14331	16.9
261.22070	4.0
277.21780	2.8
300.13556	16.8
351.22961	4.2
353.24844	2.7
364.60114	2.7
369.24158	7.1
387.25101	4.5
389.87418	2.8
461.28693	4.2
615.38770	6.4
633.39496	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39764	3.3
55.05511	7.1
57.07079	4.2
67.05514	23.9
69.03426	6.2
69.07073	7.0
70.26646	11.9
79.05496	15.7
81.03420	12.7
81.07070	20.9
85.02857	3.0
85.06551	12.2
91.05477	14.6
93.07072	16.4
95.08595	18.7
97.02940	4.8
105.07036	8.7
107.04913	4.2
107.08607	8.1
109.06514	10.6
109.10162	7.2
117.06992	4.1
119.08555	5.0
121.10135	3.5
123.04451	13.7
123.08087	8.3
125.09614	3.4
127.07542	4.3
131.08582	5.0
133.10146	5.5
135.11734	3.8
137.05957	3.6
139.03885	4.1
145.10133	5.7
147.08090	3.4
149.13235	3.7
151.03889	5.5
159.11626	3.2
161.13257	3.6
165.09111	24.7
173.13203	3.8
175.07573	4.9
193.08580	53.7
211.09653	100.0
211.15140	3.5
235.09549	4.0
253.10802	4.9
275.20123	5.9
303.82791	3.2
341.30261	3.7
377.15421	3.0
399.07172	3.2
633.45245	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	633.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	10.0
55.01860	11.0
55.05497	24.9
57.03435	10.4
67.05511	56.5
69.03418	10.6
69.07057	23.5
71.04989	11.0
74.16762	8.2
79.05492	55.2
81.03411	23.2
81.07046	45.9
83.04991	15.9
83.08560	7.6
85.02876	10.6
86.14048	9.3
88.21828	6.8
90.67809	7.9
91.05483	46.3
93.07039	46.1
95.04951	27.4
95.08606	39.8
95.68926	7.7
97.02862	9.2
97.06534	15.1
97.10185	10.5
101.64555	8.1
105.07014	39.5
107.04938	10.9
107.08582	29.5
109.02867	11.8
109.06509	13.4
109.10133	33.8
111.42944	7.3
115.05422	9.7
117.07011	16.8
119.08574	41.0
120.43496	8.1
121.06478	31.1
121.10142	31.2
123.08050	12.7
127.03908	16.1
131.08592	20.4
133.10124	28.4
135.04401	11.1
135.08090	13.0
135.11693	9.6
139.03896	29.2
143.08617	10.7
145.06519	12.2
145.10097	20.8
147.04422	10.8
149.05998	16.3
149.09634	13.8
151.03899	15.9
151.07510	23.3
157.10110	14.2
159.11670	21.3
163.03906	37.3
163.07564	42.0
171.11780	9.4
172.95206	10.8
173.05936	12.7
175.07550	18.0
177.05467	18.7
179.07040	25.7
181.12292	11.2
189.05455	11.6
189.09111	10.7
191.07039	100.0
197.08110	19.2
201.09178	13.3
203.06978	19.5
209.08034	64.3
215.06989	35.3
217.08527	15.5
219.10143	12.5
221.07935	12.0
221.15413	13.2
233.08034	21.5
241.08627	9.0
275.20114	16.8
283.13156	9.4
285.14996	9.5
287.09006	10.1
303.15964	58.3
317.17603	61.6
383.22272	44.9
411.17804	10.1
446.30243	8.2
471.18420	20.9
491.24051	15.7
561.28552	9.6
579.29120	22.6
597.29895	22.3
633.35620	70.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05485	1.2
70.75648	3.8
81.07036	1.3
85.18501	1.1
95.04935	1.2
97.02885	1.7
102.72723	1.1
106.06565	1.5
108.08121	1.8
120.08093	1.9
122.06027	4.5
134.05963	1.2
136.07576	12.4
137.05937	1.5
140.07085	6.9
146.04968	1.1
146.06024	6.5
148.07524	5.4
150.09181	1.5
152.07047	3.0
164.07086	9.6
166.08687	2.3
172.03947	2.6
174.05519	3.3
176.07059	15.7
179.25929	1.2
190.05013	2.0
204.06496	1.3
210.11655	1.5
211.12291	1.6
221.10703	1.6
223.12242	2.2
225.10313	1.9
225.13841	1.5
227.11772	1.5
237.10210	6.7
238.10980	11.9
239.11784	9.5
243.11320	1.7
249.10313	2.8
250.10988	1.9
251.11821	8.1
253.13455	2.5
261.12411	2.0
263.11783	4.1
264.08887	2.0
265.09775	4.0
265.13370	13.1
266.10376	1.3
267.11349	3.7
267.14795	1.6
269.12805	2.1
271.14505	5.9
275.11807	1.6
277.09738	2.5
277.13342	3.9
278.10544	3.5
278.41202	1.2
279.11264	100.0
280.12039	8.0
281.12726	2.9
283.10971	1.7
283.14386	2.0
285.12323	4.5
287.13882	5.3
291.11246	2.3
293.12872	5.4
294.13467	2.2
295.10767	2.0
295.14374	2.5
297.12302	45.0
298.13019	6.3
303.13614	1.3
309.12390	14.2
310.13007	8.2
311.13889	5.6
313.11789	3.4
321.12357	11.0
322.13083	2.0
324.11002	1.8
325.11774	3.7
331.12762	2.5
337.11807	30.6
338.12558	14.2
339.13397	80.5
340.13864	4.9
369.14362	2.1
370.14920	1.4
371.16040	20.5
392.19226	1.3
392.31363	1.3
400.16391	3.5
416.19479	1.4
418.17639	1.3
438.20129	3.7
442.17358	1.9
460.18671	48.9
461.19022	5.3
462.20248	1.7
464.18018	2.1
478.19696	32.8
479.20370	3.0
480.21310	7.6
510.22366	4.0
583.25189	2.2
601.26550	78.0
602.26489	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	633.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48159	1.4
70.83968	4.7
122.06059	4.5
174.09192	1.9
188.10507	1.5
197.07158	1.6
211.08711	1.7
213.10188	3.5
221.10602	1.4
226.20836	1.4
227.11819	4.1
229.13304	2.9
243.14937	2.3
245.12730	1.5
249.10201	8.3
251.11812	6.0
273.12494	3.2
279.11331	5.6
280.11731	1.7
281.09161	2.7
287.13846	7.9
288.14780	3.8
295.10635	2.4
297.12399	1.7
305.09290	2.0
323.10138	4.7
329.15012	1.9
330.12375	2.6
330.16058	4.2
340.14423	1.4
343.13214	2.5
344.13730	7.0
356.14056	1.8
357.14532	1.9
358.15543	6.1
359.16272	4.9
360.17111	4.5
368.17459	3.2
371.16821	2.3
372.13019	2.8
372.17084	6.8
373.18130	3.2
386.18591	5.0
387.15817	4.4
400.16400	5.2
401.17511	7.0
414.18170	4.7
416.19498	5.2
418.17456	2.5
419.18173	2.8
432.19290	7.0
442.17499	15.2
460.18674	73.8
461.18982	2.8
492.21283	100.0
493.21194	2.0
507.63919	2.0
583.26154	2.1
601.26709	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	633.292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10513	1.1
57.79293	1.4
63.59467	1.2
67.05504	1.8
68.22681	1.2
69.07047	3.1
70.50951	4.6
70.51305	2.1
85.02901	2.0
91.05472	2.3
94.06577	2.3
95.72477	1.3
105.07031	2.3
109.06510	1.2
119.08527	1.4
120.08112	1.5
121.06464	1.9
122.06013	6.4
123.04404	1.6
134.06013	3.6
136.07585	19.5
139.03876	2.9
140.07059	8.4
146.06003	5.8
147.04422	2.4
148.07564	5.9
152.07074	5.2
161.09662	1.6
162.09052	2.1
164.07053	20.3
166.08627	5.8
167.07080	2.0
172.03947	4.3
174.05516	2.9
176.07054	18.7
190.04947	1.6
200.67381	1.7
204.06552	6.3
206.08083	1.8
208.09785	2.0
210.11462	3.0
211.12337	2.6
213.10358	1.6
221.10670	2.6
222.11479	2.8
223.12245	3.7
225.10243	3.5
225.13788	1.6
227.11716	1.8
235.12283	4.2
236.13019	2.5
237.10161	11.9
237.13763	2.2
238.10982	11.3
239.09679	2.3
239.11806	19.6
248.09453	6.3
249.10226	6.3
250.10962	4.7
251.11737	14.7
252.12413	3.0
253.13268	2.2
263.09479	1.1
263.11823	24.8
264.12253	6.1
265.09756	7.0
265.13318	19.9
266.10449	1.9
267.11209	3.2
269.12759	2.6
271.14444	4.5
277.09790	3.7
277.13202	4.2
278.10489	3.7
279.11258	100.0
280.11954	11.3
281.12640	4.3
283.10867	2.3
283.14487	1.9
285.12189	2.2
287.13968	5.6
289.15378	2.2
291.11206	7.7
293.12799	7.0
294.13675	2.7
295.10791	3.2
295.14456	2.0
296.11539	2.9
297.12329	52.9
298.13147	6.0
309.12320	47.0
310.13004	16.0
311.13828	8.5
313.11850	2.2
315.13644	2.7
319.10522	3.1
321.12216	9.1
322.13199	2.0
323.10162	1.9
323.13849	2.7
324.14117	1.8
331.12698	2.4
337.11765	45.7
337.15793	2.4
338.12521	18.7
339.13376	70.4
340.13751	2.0
345.14270	4.0
368.13385	2.7
369.14395	46.7
370.15002	12.8
371.15979	74.8
372.16446	3.9
400.16568	3.1
418.17627	1.5
438.20099	3.5
442.17419	2.3
448.18787	1.6
460.18680	39.0
461.18878	2.6
466.19092	2.2
478.19623	27.4
479.20285	3.9
480.21048	8.2
492.21252	3.5
509.20642	2.6
510.22305	83.5
511.22614	4.6
512.23041	5.3
583.25366	1.9
601.26563	47.5
602.27112	1.6
633.29248	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
60.49220	0.6
67.05453	0.8
69.07027	1.9
69.66498	3.9
72.78152	0.5
81.07027	0.8
91.05452	1.1
93.07002	0.6
94.06533	2.3
100.86412	0.5
106.06520	1.1
108.08109	1.3
120.08064	1.0
122.06029	5.0
124.07452	0.5
134.05966	2.2
136.07574	13.7
140.07060	7.1
144.04369	0.7
146.05994	6.5
146.09671	0.5
148.07562	6.5
150.09106	1.4
152.07043	2.7
164.07072	12.8
166.08632	4.7
172.03923	2.4
174.05493	3.4
174.09132	1.1
176.07062	17.3
190.04999	2.8
192.06520	1.1
204.06544	1.7
208.09546	0.8
209.10727	1.7
210.11508	1.2
211.08473	0.7
211.12186	1.9
211.35495	0.6
221.10748	1.6
222.11378	0.8
223.10442	0.5
223.12251	2.9
224.09409	1.8
224.13084	1.5
225.10226	3.3
225.13812	0.8
227.11781	1.7
229.13242	1.1
235.12355	2.9
236.13007	1.2
237.10112	6.9
237.13852	1.6
238.10986	13.6
239.11736	9.4
241.09796	0.8
243.11157	0.6
248.09279	0.9
249.10211	2.9
249.13907	0.6
250.10974	1.5
251.11790	10.0
252.12491	2.2
253.13322	3.7
255.11150	1.5
261.10034	1.0
261.12509	0.7
262.11050	0.7
263.09009	1.0
263.11755	6.6
264.08908	1.5
264.12454	0.9
265.09683	4.1
265.13312	14.4
266.10489	2.2
266.13950	1.3
267.11349	3.6
267.13885	0.7
269.12869	1.3
270.13632	0.9
271.14389	7.3
275.11832	2.4
277.09732	2.1
277.13336	3.3
278.10498	4.2
279.11255	100.0
280.11945	8.9
281.12686	2.9
283.10757	2.4
283.14441	1.7
284.11490	1.4
285.12283	1.9
287.13901	4.7
289.43399	0.5
291.11142	2.5
292.12186	0.6
293.12848	7.0
294.13556	0.9
295.10834	1.8
295.14444	2.4
296.11600	2.8
297.12317	49.2
298.13071	6.0
299.13757	1.0
309.12314	16.0
309.15762	1.1
310.13071	8.9
311.13898	7.8
313.11859	2.3
319.10709	2.5
321.12299	13.4
322.13058	1.2
323.10284	1.0
324.11084	1.7
325.11737	4.6
326.12640	0.6
331.12949	3.1
337.11804	29.4
338.12582	10.0
339.13367	83.4
340.14023	4.2
349.93753	0.7
369.14441	3.9
371.16019	25.7
372.16513	1.4
392.19806	0.8
400.16553	2.6
401.17444	1.0
416.19904	0.7
418.17499	1.2
419.18228	0.7
420.19391	0.6
424.16431	0.6
432.19153	1.0
434.20779	0.7
438.20181	4.5
442.17654	3.8
448.19025	0.7
450.20303	0.8
460.18661	42.9
461.19235	3.1
462.20016	1.2
464.18274	1.4
465.18884	1.0
466.19635	2.0
478.19696	30.2
479.20523	3.7
480.21283	9.8
492.21228	1.6
496.20871	0.9
510.22165	4.0
511.23441	0.7
512.23773	0.9
583.25281	2.3
601.26514	69.0
602.26843	2.0
633.29193	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	18.6
57.48130	6.2
64.12118	5.3
66.40046	4.8
68.46030	4.9
71.19725	12.0
98.97585	11.0
101.00880	10.0
116.98613	12.8
117.03348	7.9
119.01923	28.9
121.03474	8.6
131.00218	7.9
131.01944	14.3
133.03474	30.3
134.99640	5.3
137.02896	8.8
143.01857	11.3
145.02849	21.4
145.03703	6.7
146.99606	5.7
147.04379	16.0
149.01268	5.5
151.04597	11.0
155.01860	12.0
157.03435	15.4
159.05139	6.3
161.02979	15.7
163.02689	8.4
163.03998	16.7
169.03429	7.2
171.04996	12.2
173.02968	22.8
175.04520	16.9
177.00804	5.9
177.05426	33.2
181.03766	6.3
181.05522	8.6
183.05006	7.1
185.02930	9.3
187.04507	9.3
189.06032	11.4
195.07172	6.3
197.03065	13.5
199.04462	10.7
201.06096	9.3
203.04086	7.1
205.05577	28.6
211.04575	9.2
217.05702	25.1
219.07152	18.7
221.05014	13.7
231.07118	22.4
235.06743	6.3
237.02826	24.8
241.05611	10.4
241.83002	5.2
245.05122	33.6
247.06656	10.1
249.46304	5.3
255.07085	6.3
263.06201	10.2
291.09296	8.0
295.08670	12.6
307.08835	100.0
321.10294	82.6
325.07928	6.3
332.15576	5.0
337.09399	10.0
403.02310	4.8
441.12250	6.9
492.69934	5.6
501.13852	46.5
584.98071	5.7
633.14240	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	633.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74742	2.0
56.96573	11.8
67.05513	2.3
69.07064	3.1
69.70509	2.0
70.13271	11.0
79.05489	3.1
81.07070	6.5
82.08978	2.2
87.71909	2.3
98.97560	3.5
116.98656	3.9
121.79259	2.6
128.98631	2.7
134.99783	2.4
150.77893	2.3
172.13893	2.4
191.02170	3.5
217.07588	2.7
225.08139	3.0
229.07516	3.6
231.08997	6.8
239.11781	3.3
243.09126	2.5
250.11098	5.0
251.09547	3.2
251.11827	9.3
255.09007	4.6
259.12143	3.1
263.12018	2.9
265.13373	11.2
269.10623	24.3
273.10046	3.2
279.11276	3.2
287.11716	13.5
293.12863	2.8
309.12524	2.9
311.13919	13.2
321.12457	3.6
331.15698	5.1
337.11694	6.4
339.13345	21.3
349.16901	15.6
357.14468	3.9
367.17926	100.0
369.14468	6.6
371.16016	58.6
385.19016	24.1
408.20477	9.6
460.18546	5.6
480.21207	6.7
492.21307	4.3
601.26227	4.9
633.34045	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	631.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59665	2.4
55.05511	6.0
57.03424	2.9
57.07071	10.2
67.05502	15.8
68.99815	3.0
69.03420	6.0
69.07051	2.6
69.76206	13.2
71.08614	2.0
73.10074	1.8
79.05485	15.2
81.03429	9.7
81.07049	17.0
83.04984	2.5
85.06537	10.0
89.06013	4.2
91.05481	17.7
93.07046	15.6
95.04959	5.5
95.08605	9.8
97.02915	3.1
98.02361	2.1
98.02986	2.2
105.07024	22.2
107.08578	9.5
109.06504	11.0
109.10139	4.8
111.04437	2.5
117.07020	8.7
119.08565	16.8
119.36819	2.4
121.10136	6.4
123.04431	13.8
123.08064	9.7
125.09647	2.5
127.03918	5.1
129.06989	2.7
131.08566	7.8
133.08693	3.2
133.10126	8.8
135.11670	5.4
139.03902	9.3
141.06844	2.6
143.08601	4.4
145.10141	11.7
147.08127	2.4
147.11684	9.8
149.05898	2.8
149.13216	3.8
151.03954	6.2
151.07507	6.2
155.03412	3.6
157.10124	4.6
159.11674	10.4
161.09612	2.8
161.13235	6.3
165.09128	14.9
171.11662	4.1
173.13295	5.6
175.07552	2.7
177.09012	3.1
185.13202	3.8
193.08621	49.1
193.10294	3.5
205.08636	9.5
211.09657	100.0
223.09647	6.1
241.19597	3.4
253.10469	3.2
257.19034	3.4
259.20654	7.9
273.58118	2.3
291.15921	3.3
367.22964	2.6
385.23611	12.6
403.24753	9.6
421.25793	9.1
503.73959	2.9
631.38074	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	631.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38426	0.4
50.41043	0.3
52.68058	0.3
53.57652	0.4
56.96565	16.1
59.13537	0.4
63.98647	0.3
67.05499	0.9
67.81728	0.4
70.43433	1.0
71.95251	1.9
72.96030	0.7
74.97601	0.9
79.05479	0.5
81.07042	1.1
84.10333	0.4
84.96027	1.1
92.98645	0.4
95.08611	0.9
97.96855	0.7
98.72608	0.4
98.97506	0.4
105.07030	0.5
110.97607	1.1
115.97836	1.0
116.98658	0.5
119.08501	0.4
123.01205	0.6
127.77899	0.4
128.98616	2.9
133.98866	0.7
134.99612	0.5
137.02707	0.4
137.20026	0.4
141.02248	0.6
146.99672	6.5
155.03793	1.2
161.01216	1.5
165.00711	2.4
169.05292	0.5
179.02209	1.1
183.06903	0.4
185.04831	0.5
189.04344	1.6
191.68121	0.4
193.03786	0.7
197.08530	0.4
201.04347	0.4
201.89676	0.5
203.05858	0.8
216.65038	0.4
217.07454	0.5
223.08408	0.5
263.09570	2.1
277.11084	1.8
281.10587	0.6
291.12555	0.8
295.12256	0.8
316.10815	0.5
317.17844	22.5
318.18216	0.5
333.17288	2.2
335.18924	100.0
336.19257	2.3
346.68005	0.4
353.19992	40.8
354.20319	1.4
358.20544	15.5
359.20877	0.8
371.21045	2.3
376.21585	5.4
399.23178	0.7
595.40375	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	20.4
56.85946	0.5
58.21301	0.5
59.87342	0.5
71.12712	1.6
72.04511	7.5
73.02898	0.7
74.00670	3.3
82.97387	0.6
83.06098	2.6
84.04502	32.9
85.02899	0.9
90.05542	4.4
98.06037	1.5
110.99055	0.8
115.05459	0.8
119.00476	0.6
123.02641	1.3
123.04430	1.0
126.05513	100.0
129.06599	5.5
130.05017	2.4
131.04935	1.3
133.06471	0.8
144.06560	78.0
147.02628	0.9
147.04410	1.5
150.03745	0.9
151.02112	1.7
153.06639	1.6
155.01611	1.9
158.26100	0.6
159.02669	2.9
159.04428	1.2
159.07703	1.4
160.05196	1.9
161.06027	0.8
163.02164	1.3
163.03915	0.7
163.06277	0.8
166.00894	1.2
173.04256	3.0
175.02182	2.1
177.03767	3.1
178.03206	2.6
179.01617	65.2
181.03188	2.1
181.06090	2.1
187.02151	13.7
188.04713	0.8
189.00020	1.2
189.03697	1.2
191.05190	0.7
193.03246	4.0
196.04233	4.8
197.02856	0.8
201.03691	8.2
203.01588	9.2
205.01236	1.4
205.03181	22.5
206.05830	1.0
207.01164	1.4
219.04767	3.2
221.02669	9.4
229.03168	2.1
233.02641	1.0
239.03665	2.7
247.04256	15.7
262.05246	0.7
264.06677	0.8
265.05298	9.9
282.07932	0.8
292.06451	1.6
293.04889	1.0
295.07458	1.7
296.05847	2.0
298.43188	0.8
304.06430	1.1
322.07449	2.3
346.07550	1.3
351.05118	1.1
364.08401	7.2
369.06274	0.8
382.09402	1.4
386.09055	16.2
406.59882	0.7
417.13431	4.1
439.11624	0.8
442.11606	0.8
457.12830	1.5
459.14307	1.9
468.09473	4.2
485.12274	1.6
486.10739	9.2
499.13690	2.5
503.13287	43.5
521.72467	0.7
543.12781	6.0
616.39288	0.7
632.18018	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	631.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01908	1.1
57.75157	0.9
58.18320	1.1
62.20135	1.2
62.84395	1.1
67.05531	1.4
67.64662	1.2
69.62799	7.2
69.63220	2.4
69.80135	1.2
83.64132	1.0
93.72842	1.2
98.20742	2.0
105.58455	1.1
122.05985	1.4
123.04469	1.6
136.07556	1.5
137.59039	1.3
140.07072	3.7
153.01851	1.7
163.03912	1.2
167.07048	1.2
179.54678	1.5
181.04945	1.2
182.80898	1.1
226.01845	1.5
235.08693	2.0
235.12259	2.0
237.10213	2.0
247.08672	2.4
248.09483	8.9
249.10208	20.5
250.11031	4.5
251.11781	9.1
261.10254	3.1
262.11081	6.5
263.11783	100.0
264.12399	9.3
265.09677	2.3
265.13361	7.4
277.09720	20.7
277.12564	2.3
278.10254	1.5
279.11270	34.7
280.11990	2.7
281.12622	1.9
290.10480	6.4
291.11282	38.0
292.12021	8.0
295.10800	18.0
303.07788	3.5
307.10687	2.7
308.11783	2.2
309.12311	48.2
310.12820	6.6
311.13864	6.0
318.09976	7.0
323.13876	61.2
324.14648	2.5
325.11575	1.3
336.07382	0.7
336.10992	44.5
337.11761	34.2
338.12546	7.2
367.12872	31.9
368.13672	41.5
369.14426	96.7
370.15216	27.5
458.16949	2.7
459.18066	1.3
476.18411	3.9
478.19720	32.5
485.07339	1.4
490.19586	6.4
491.20343	2.1
508.20767	90.1
509.21170	4.9
510.22372	47.3
599.24622	4.2
631.27869	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27796	3.5
54.82511	3.2
69.03443	3.2
69.07069	7.2
69.82601	11.8
69.83003	8.2
81.03423	5.1
91.05466	4.9
94.06556	7.1
105.07108	4.6
107.04949	8.5
110.14481	3.2
119.04933	3.9
119.08573	3.5
120.40221	3.0
122.06044	13.6
123.04411	27.2
124.07622	4.3
127.00033	3.7
131.04851	3.9
135.04347	6.4
137.05974	20.9
139.03879	10.0
140.07085	21.8
146.06004	18.7
147.04417	8.7
148.07440	4.2
151.03888	25.1
163.07532	4.8
165.05478	4.9
167.07097	4.5
172.03943	10.1
174.05522	13.3
175.07501	5.2
176.07091	8.7
177.05428	10.7
186.06516	9.9
187.07532	3.4
190.05017	5.9
193.04930	4.1
200.09982	3.3
204.06561	21.8
206.08127	5.8
225.10274	4.0
227.11778	12.4
237.10376	4.3
237.42278	3.7
239.11980	6.1
249.10219	9.9
251.11899	9.1
253.09721	6.2
263.11722	40.3
265.09723	7.5
265.13168	4.3
267.07123	3.4
269.12839	9.9
271.10870	8.0
277.09735	10.1
279.11224	15.0
283.10760	10.6
284.11734	5.2
285.07535	3.8
285.12363	9.4
287.14014	24.6
291.11377	17.9
292.12061	5.3
295.10764	7.9
297.12308	10.3
299.12622	5.3
301.11884	4.7
303.08615	38.9
303.13599	5.4
306.72900	3.4
309.12387	22.5
311.13211	8.0
313.11618	28.4
315.04932	3.8
315.13416	4.9
316.14615	9.5
323.13773	20.3
328.14331	4.7
329.15585	3.3
330.12332	4.3
330.16083	6.1
331.12866	14.7
331.16553	5.5
332.17865	3.5
336.10995	16.3
337.11795	14.1
342.12454	8.6
343.13168	5.5
344.17505	8.1
345.14465	7.9
354.16574	3.9
356.13953	6.7
358.15610	11.5
367.13083	11.9
368.13745	19.8
369.14435	38.9
370.15271	14.5
381.11157	4.3
383.13992	4.3
384.13358	14.6
385.14139	6.5
386.14871	6.1
390.18280	5.4
398.15088	15.8
399.15817	28.2
400.16650	39.5
416.16147	5.5
417.16855	9.7
418.17593	13.6
430.17419	4.5
458.17102	51.4
459.17847	26.3
460.18823	9.6
474.17227	5.5
478.19550	12.7
490.19308	7.4
491.19992	4.8
508.20691	34.2
510.22491	16.3
545.19501	12.6
557.24561	4.4
581.24408	8.7
587.20947	83.5
588.21558	5.3
599.25006	100.0
631.19910	81.5
631.30371	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	631.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73871	0.9
52.17429	1.0
55.01857	1.1
65.03941	1.0
67.05517	2.3
68.05046	1.1
69.07063	5.4
69.54595	8.4
79.05480	1.7
81.03369	1.1
81.07055	2.4
91.05468	3.0
93.06992	1.2
94.06588	5.8
95.04961	4.0
95.08520	1.2
99.73455	1.0
105.07057	1.5
107.04942	2.2
109.10133	1.3
112.07564	1.9
115.34933	1.2
119.08531	1.2
122.05171	1.5
122.06030	20.9
122.91518	1.0
123.04448	4.9
134.06010	1.9
136.07529	1.1
137.05942	2.6
139.03915	1.7
139.07504	1.2
140.07056	33.6
144.04460	2.9
146.06006	14.3
147.04370	1.3
147.06831	1.6
148.07567	3.9
152.07072	1.0
153.05463	3.2
155.75218	1.2
162.05495	1.9
163.06253	1.5
167.07076	6.2
172.03931	15.9
174.05515	14.7
176.07071	9.7
179.06932	1.1
181.04991	4.8
190.04977	5.0
191.05740	2.0
192.06531	3.4
197.10736	2.6
199.08586	1.3
199.12279	1.8
204.06552	25.7
206.08130	8.7
209.10918	1.3
211.08638	3.3
211.12216	1.0
212.09282	1.7
213.10201	1.4
223.08603	1.4
224.09395	1.8
225.10175	8.0
226.11006	1.7
227.11797	16.6
237.10246	4.3
238.10863	1.4
239.11852	5.3
241.09673	2.1
241.13402	1.4
243.11389	1.2
249.10152	1.4
251.11787	3.0
253.09735	2.4
253.13503	1.5
255.11287	1.6
263.11697	1.3
264.08734	1.1
265.09656	2.7
267.11264	2.6
269.04572	1.3
269.12808	13.6
271.10742	4.9
279.11185	2.0
283.10764	12.2
284.11572	6.6
285.12405	6.4
287.13889	29.1
295.10791	1.8
297.12350	3.7
299.09079	3.3
300.12256	1.4
301.12085	3.9
302.12772	1.5
303.08719	2.1
311.05704	1.3
312.15057	1.5
313.11813	28.2
314.12848	3.6
314.16348	1.5
315.13782	2.8
316.14426	9.3
324.10568	1.4
326.16531	2.3
328.14392	4.3
329.11478	3.4
329.15277	2.8
330.12317	3.2
330.15970	6.8
331.12839	17.3
331.16745	8.7
332.17340	1.5
342.12363	7.2
342.16107	1.7
343.13104	5.4
344.13910	2.0
344.17468	8.7
345.14453	13.3
354.16321	1.6
355.13321	1.7
356.13907	7.0
357.14627	4.7
358.15472	11.4
363.15500	1.4
367.13327	1.3
368.14023	1.4
369.11023	1.7
370.11566	2.7
370.15634	3.9
371.16217	1.6
372.16925	4.5
382.11639	3.1
382.15726	1.9
383.12189	3.4
384.13348	16.3
385.14063	3.7
386.14444	5.4
386.18997	2.2
388.16776	2.0
390.18066	6.1
397.14795	1.2
398.14987	15.5
399.15726	29.2
400.16559	41.8
401.17038	1.9
402.14447	2.1
412.16522	2.8
414.17984	7.5
415.18866	2.2
416.16068	4.5
417.16821	7.0
418.17526	10.5
430.17578	3.4
431.18436	2.3
440.15997	3.8
441.16653	2.4
442.17813	1.8
444.15302	2.2
458.17090	42.1
459.17764	25.9
460.18805	5.6
477.11832	2.0
490.19809	6.0
491.20584	5.9
555.25830	2.0
557.24115	5.1
581.23840	9.5
599.24969	100.0
600.25189	3.2
631.18005	1.4
631.27240	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	631.276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41699	0.9
52.68348	0.9
55.01872	1.6
58.92503	0.9
67.05487	2.9
69.07061	3.7
69.95483	3.2
69.95894	2.4
72.21386	0.9
79.05487	1.5
81.07040	1.1
87.49522	1.0
91.05472	2.6
94.06533	3.7
95.04964	2.4
97.06519	1.5
98.90192	0.9
105.07020	1.6
107.04942	2.0
112.07537	1.0
118.06511	1.2
122.06020	15.7
123.04403	1.7
125.54636	0.8
134.06013	1.0
137.05949	1.6
139.03915	2.1
140.07062	27.1
144.04401	2.1
146.06012	12.5
147.04333	1.1
147.06747	1.0
148.07576	2.5
153.01808	1.5
153.05443	1.8
158.69823	1.0
162.05510	1.6
163.06235	0.9
167.07111	5.0
172.03926	12.2
173.04768	1.3
174.05528	11.4
176.07025	8.3
181.04903	2.2
190.04973	3.2
191.05710	1.9
192.06483	2.4
199.12297	1.5
204.06560	22.6
206.08084	6.7
210.09225	1.1
211.08682	1.2
212.09357	1.0
213.10106	1.4
215.80214	1.0
216.39548	1.0
224.09384	1.6
225.10196	6.5
227.11743	11.0
238.11024	1.4
239.11804	3.8
241.09697	1.5
249.10219	1.1
251.08374	0.9
251.11693	2.6
253.09593	2.7
261.12363	2.5
265.09753	1.5
267.11234	2.6
269.12808	9.6
271.10580	4.8
277.09726	1.7
279.10895	1.4
279.13657	1.1
283.10699	9.7
284.11545	4.4
285.12384	5.8
287.13885	23.6
295.10696	1.8
297.12299	4.6
299.09070	2.4
299.14789	1.1
300.11862	1.2
301.12149	4.4
302.12936	1.2
311.05569	1.2
312.14893	1.0
313.11801	21.7
314.12512	2.7
315.13727	1.7
316.14453	4.3
323.09970	1.7
327.17529	1.5
328.10876	1.6
328.14548	1.9
329.11627	2.3
329.15240	2.1
330.12097	3.0
330.16025	5.7
331.12845	12.1
331.16766	8.7
334.27881	1.1
340.14594	1.2
342.12369	5.3
343.13034	4.2
344.13794	1.8
344.17526	6.3
345.14429	8.0
346.19147	1.1
356.13870	4.2
357.14737	2.1
358.15521	7.5
363.15656	1.9
368.17780	1.6
370.11575	2.8
370.15683	3.4
371.16544	1.5
372.17184	5.0
380.13934	1.3
382.11780	2.5
383.12454	2.3
384.13312	13.6
385.14261	3.6
386.14743	4.5
386.18729	3.0
388.16425	1.3
390.17960	6.2
398.15063	15.7
399.15747	25.1
400.16528	37.8
401.16702	1.2
402.14096	1.7
412.16431	2.3
414.18085	6.3
416.16107	2.4
417.16867	7.4
418.17450	8.6
430.17645	3.0
431.18210	1.6
440.15970	3.7
441.16397	1.8
442.17896	1.4
444.15579	2.3
458.17105	37.4
459.17865	24.8
460.18597	4.0
477.12186	1.3
490.19821	5.9
491.20160	4.1
510.22156	1.3
555.25806	1.8
557.23901	4.8
581.24109	10.4
599.24994	100.0
600.25134	4.8
613.16547	1.5
631.26752	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	630.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	33.6
67.05499	3.9
69.07063	2.8
69.67211	4.8
69.67635	6.8
71.08638	24.6
73.06549	7.3
77.49431	1.7
79.05494	3.0
81.07051	3.0
83.08599	3.3
83.19730	1.7
84.94595	1.8
85.09708	3.0
85.10176	23.4
87.04469	12.0
89.06029	100.0
91.05480	2.7
93.07053	2.9
95.08574	2.6
97.10180	2.5
99.11713	5.9
107.07053	5.2
107.08585	2.3
109.10262	2.1
117.09115	5.3
120.78647	1.7
130.08649	3.7
131.07045	3.0
133.07645	3.7
133.08603	55.1
135.10149	2.2
155.17938	7.4
170.54570	1.8
177.11226	20.8
186.09857	1.9
199.20633	3.1
219.12268	1.9
221.13850	3.0
226.87543	1.9
243.23247	4.3
285.58398	2.3
287.25732	4.9
439.45746	2.1
459.27417	2.0
613.44891	3.8
630.46075	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	630.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
61.95505	4.0
67.05508	4.8
69.07044	4.6
70.13757	8.9
70.14165	13.4
70.75417	4.3
79.05492	6.5
81.07048	15.6
85.02888	9.3
90.38930	3.8
91.05466	12.2
93.07040	18.3
95.04955	9.3
95.08581	9.4
97.06522	11.8
105.07026	13.0
107.08642	5.0
109.06515	13.8
111.08073	7.8
111.68208	4.4
119.04967	5.2
119.08573	7.9
121.06497	37.8
123.04432	12.2
133.10126	10.4
135.08054	9.5
137.05956	4.7
139.03885	11.8
139.07454	9.6
145.10049	6.0
147.11659	14.3
153.01929	4.6
157.08624	6.7
157.10150	8.6
161.13173	5.1
165.12756	8.4
171.11681	4.6
175.11220	9.4
189.12804	11.6
193.12247	14.8
199.11179	11.9
205.41670	4.6
211.13271	12.4
217.12207	39.0
235.13251	54.8
253.14355	100.0
271.15369	19.1
287.05444	9.8
288.05942	4.9
289.16269	24.9
303.04990	4.5
310.13977	4.7
313.17288	4.9
412.45090	5.6
468.09976	13.8
482.11270	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	629.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	25.7
57.03420	13.3
67.05502	73.4
69.03426	6.1
69.07076	29.9
71.08633	72.5
71.58580	10.3
78.14265	5.3
79.05490	51.7
81.07049	73.8
83.08611	13.6
91.05476	50.1
92.38747	6.4
92.68258	5.2
93.07041	73.3
95.04951	7.8
95.08607	57.4
97.06508	5.7
97.10194	9.3
99.08089	42.2
105.07016	35.8
107.04900	6.0
107.08571	40.9
109.10144	25.3
113.84623	6.0
117.07028	17.7
119.08580	31.6
121.10131	39.9
131.08534	31.0
133.10129	19.4
135.11682	24.5
143.08557	9.7
145.10138	22.4
147.11658	15.2
149.13243	14.5
151.11195	11.1
159.11647	13.6
161.13245	21.6
163.11189	7.4
163.14789	11.0
171.11716	8.0
173.11845	8.6
173.13266	10.2
179.14310	48.4
185.13292	9.1
188.54881	5.9
189.12720	8.9
243.21147	13.9
259.20557	7.0
261.22192	15.8
277.21671	64.4
291.19534	8.1
295.22598	7.7
317.24753	9.7
333.87534	5.6
335.25763	58.9
336.59155	5.9
351.25330	61.6
439.35300	7.7
513.39520	11.1
515.37207	14.7
589.57098	6.1
611.46545	100.0
629.47595	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93749	0.8
57.07086	1.1
60.68029	0.8
67.05516	1.7
69.07061	1.1
76.47398	0.8
79.05510	2.0
81.03437	1.1
81.07043	2.7
84.60272	0.7
86.17416	0.9
93.07039	2.1
95.08620	2.4
105.07038	1.2
131.08521	1.6
230.15155	1.2
314.87555	0.8
365.66461	0.8
387.25613	0.9
411.14597	1.3
424.15839	1.8
425.16232	5.2
426.16971	3.3
427.17850	2.4
439.18008	10.0
440.18634	7.0
441.19025	1.9
442.20248	1.7
452.14261	4.5
453.15405	26.5
454.15976	2.9
454.21045	1.9
455.20880	30.0
456.21262	2.2
466.15903	0.9
467.17050	30.4
468.17749	8.6
471.16815	0.9
481.18265	5.2
482.19266	23.8
483.20248	2.5
485.17853	1.9
495.20724	1.2
509.21988	1.9
513.21594	1.2
526.21796	1.3
528.23688	2.1
541.24316	3.8
542.25476	1.2
553.22089	7.3
554.21722	1.2
569.23987	100.0
570.24268	4.9
600.22162	2.0
601.26782	3.8
629.25928	58.2
630.26221	3.4
648.53510	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37244	0.5
53.46396	0.5
67.24095	0.5
69.71780	3.4
81.07042	0.6
85.02930	0.6
91.05540	0.6
94.82511	0.5
97.02889	1.3
106.74425	0.6
119.04952	0.9
130.73712	0.6
137.06006	2.0
139.79663	0.5
140.52574	0.6
147.02301	0.5
147.04413	2.1
151.07431	0.5
159.04178	3.9
169.71074	0.6
173.06020	0.6
177.05441	0.8
197.01222	0.8
218.40283	0.6
237.02855	0.7
237.06160	1.3
237.86478	0.5
247.04497	0.6
267.04935	0.6
271.04315	1.2
300.08212	0.7
381.13055	28.0
384.10620	1.0
399.13022	2.1
402.11499	1.2
409.12601	2.1
441.14087	2.5
525.17303	1.5
537.35333	0.6
543.18341	13.3
567.18323	0.7
585.19379	58.9
586.19720	1.6
629.18378	100.0
630.18787	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	629.2243
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
67.97073	0.7
69.30428	1.3
69.30832	6.9
76.07883	0.9
80.60394	0.8
88.28278	0.7
114.58562	0.7
169.57430	0.7
174.34666	0.7
177.72794	0.7
395.11688	0.8
396.12277	2.1
397.13150	2.9
398.14093	2.5
399.14816	1.1
400.15500	1.1
409.13364	1.8
410.13513	3.7
411.14465	8.7
412.15384	5.9
413.16000	5.2
420.83798	0.9
423.14713	2.5
424.16086	3.8
425.16235	17.3
426.17020	9.6
427.17865	4.3
428.18448	4.0
437.12076	1.0
438.12283	3.5
438.18140	1.1
439.13586	25.3
440.13702	1.2
440.19147	8.7
441.19284	43.5
442.19818	1.7
443.17154	1.7
452.14191	3.9
453.15320	27.0
454.15540	7.0
456.17966	1.8
457.14688	1.5
459.20392	0.9
465.15536	1.1
467.17172	30.4
468.17929	23.1
469.18936	12.3
471.16699	2.2
472.17172	1.0
480.17917	1.6
481.14728	12.7
482.15350	1.6
484.21661	4.8
485.18475	2.9
486.19122	1.0
495.16919	2.7
496.17081	11.7
497.18115	1.3
498.19025	1.6
499.19659	2.5
500.20776	6.0
508.19577	1.3
509.18912	1.9
512.20404	3.1
513.21643	6.0
523.19604	2.7
525.21167	0.9
526.19098	1.2
528.20209	1.2
531.22369	0.9
537.17548	1.2
541.20880	54.1
542.21179	3.5
553.20636	1.2
559.21741	0.9
569.20300	100.0
570.20673	6.5
573.23425	3.7
597.19745	29.3
598.19568	1.6
600.21741	2.5
601.22882	15.5
615.20300	1.7
629.22223	59.5
630.22394	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66797	1.6
69.03427	2.0
70.06587	2.3
85.02930	3.4
86.09694	3.5
91.05484	3.1
95.08563	2.1
107.08581	1.7
123.04411	1.8
133.06586	1.8
137.06001	5.1
145.10147	1.8
153.01839	5.2
167.06999	2.6
181.04993	7.7
193.08620	1.8
207.06454	1.7
221.08217	2.0
257.80743	1.7
323.12631	1.6
345.11163	3.5
363.12228	2.7
381.13293	8.8
403.13864	3.4
543.18402	36.3
567.17981	9.8
581.16370	3.5
585.19409	100.0
611.17609	11.9
629.18335	90.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07075	26.6
57.48455	3.9
60.41321	3.8
67.05486	11.8
67.26307	3.7
69.07076	7.4
70.75871	11.6
71.08625	26.1
73.06546	6.7
78.12555	3.6
79.05515	8.9
81.07057	7.8
83.08578	3.8
83.36184	3.8
85.10165	18.4
87.04483	6.6
89.06033	100.0
91.05466	5.7
93.07038	7.3
95.08589	7.1
99.11771	6.2
107.83990	3.7
133.08621	48.2
177.11211	20.5
285.28036	4.6
371.22650	3.7
374.51477	3.8
447.33179	3.6
459.83865	4.7
611.46661	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	629.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
58.36191	1.4
67.05513	2.4
68.36286	1.1
71.58820	2.0
71.59174	2.2
79.05483	7.8
81.07050	3.7
85.02911	1.6
87.85809	1.3
91.05475	4.5
94.04247	1.4
95.04979	3.5
95.08597	1.3
105.07030	2.9
107.04958	15.1
109.02885	1.6
109.06438	1.3
109.10089	1.5
111.51340	1.1
112.89616	1.1
117.86749	1.2
123.04441	3.2
124.05200	9.7
133.02847	4.2
134.03654	1.7
135.04424	2.6
137.05940	1.9
139.07530	10.7
147.04402	20.6
151.03896	3.6
152.04686	6.7
153.05481	2.9
165.05554	1.3
167.07045	18.9
177.05516	1.4
181.04999	2.6
184.05183	2.7
185.05917	1.7
196.05333	1.5
197.05920	2.4
210.06808	2.8
213.05492	2.8
221.06004	2.3
227.07051	1.7
229.04927	2.0
237.05470	4.6
238.06203	8.9
239.07002	3.4
241.04976	4.7
242.85803	1.4
244.07306	2.4
249.05489	3.7
253.05095	3.1
255.06459	1.6
257.04462	1.4
265.04974	2.5
266.05792	11.0
267.06445	6.4
269.04352	7.0
270.05185	1.3
271.05948	1.9
273.03937	1.5
283.05951	10.1
284.06747	17.8
285.04013	2.2
285.07446	1.4
299.09116	100.0
300.06363	2.5
300.09592	3.5
313.03372	4.4
316.05792	3.0
327.05023	3.1
328.05759	31.0
331.08112	5.6
343.08118	55.2
376.10144	1.4
377.06677	2.1
403.08353	1.4
431.07709	1.7
432.08502	1.7
448.07983	3.4
449.08658	3.3
459.07019	1.7
460.07700	7.8
461.08853	2.4
463.10104	13.0
475.10254	20.6
481.11063	1.4
495.12854	60.4
496.13022	1.9
519.12671	4.1
629.16473	61.8
630.16644	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32109	17.8
57.07100	19.9
60.74535	16.1
67.05486	72.6
69.07079	29.5
71.08624	43.1
71.26579	39.5
79.05484	66.1
81.07050	60.7
83.02686	22.6
83.08598	24.0
84.21314	17.3
84.95789	18.3
91.05471	63.5
93.07046	51.3
95.08606	60.1
97.06561	18.4
99.08082	45.8
101.25149	17.7
105.07030	43.0
107.08588	30.9
108.52271	14.9
109.10111	22.8
111.93434	15.3
119.08578	31.7
121.10101	32.2
131.08600	28.9
133.10042	21.8
135.11717	34.5
143.08539	21.2
144.10080	16.3
145.10149	24.3
157.10147	22.8
157.44438	16.3
159.11737	20.9
161.13199	30.0
170.93707	17.6
171.11729	17.8
179.14334	21.6
208.31596	17.6
249.40378	16.5
271.23596	17.3
277.21469	25.7
335.25861	18.0
351.25369	35.2
372.20432	18.0
418.97101	18.8
433.54514	20.2
437.34119	29.7
563.41913	19.9
591.43524	17.2
592.54968	19.8
609.45099	32.8
627.46698	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.1
53.75391	1.1
55.05510	2.5
56.96081	1.0
57.03422	4.9
57.07068	1.3
61.02906	3.0
67.05501	13.9
69.03425	1.7
69.07067	6.6
71.04974	1.2
71.58282	1.3
71.58707	2.0
73.02889	1.6
79.05486	8.5
80.79288	1.0
81.03396	1.1
81.07053	14.6
83.04951	1.4
83.08614	3.7
85.02920	6.6
85.06526	1.5
86.09640	1.8
91.03919	2.9
91.05471	4.8
93.07040	10.6
93.24208	1.1
95.04958	1.2
95.08593	4.0
97.02894	2.1
97.06518	3.2
99.79956	1.0
103.05486	1.3
105.07024	2.3
107.08608	8.1
111.08091	2.4
117.07019	1.9
121.06534	1.1
121.10161	5.4
127.03893	2.1
131.08537	2.1
133.06493	1.3
133.10152	2.0
135.08061	1.7
135.11673	2.6
137.06010	2.3
145.04900	1.3
149.13277	9.6
159.11700	4.1
163.05988	2.6
167.07008	4.6
177.12724	2.1
182.05206	1.4
195.13797	5.0
259.34592	1.2
269.17471	100.0
270.17795	1.6
277.82346	1.3
291.17209	1.4
340.20486	1.2
628.34869	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57189	0.5
55.05510	1.1
56.37583	0.6
56.96295	1.0
56.96564	16.0
67.05493	1.4
71.21546	0.5
71.59174	0.7
71.95256	1.8
72.96053	0.7
74.97608	1.3
79.05494	1.5
81.07060	1.7
84.96041	1.5
91.05476	1.5
92.98662	1.0
93.07035	1.8
95.08625	1.2
101.30930	0.5
105.06995	1.4
107.08560	0.9
110.97601	1.6
115.97859	1.0
119.08575	0.9
123.01197	0.8
125.71694	0.6
128.98607	5.0
133.98915	1.0
137.02769	0.9
145.10123	0.7
146.99644	10.4
152.00201	0.6
155.03793	0.7
161.01228	1.8
165.00710	4.1
169.05276	0.7
175.02875	0.7
179.02272	0.6
185.04849	0.6
189.04315	1.7
197.04768	0.6
203.05864	1.4
208.06250	0.7
225.07780	0.9
237.10196	0.7
241.11124	1.1
245.10744	1.4
256.09570	0.8
259.12280	1.0
263.09573	3.0
264.10287	0.7
265.11160	0.9
277.11102	1.1
277.21637	0.6
281.10538	1.1
283.12442	0.9
303.12659	1.3
313.14810	0.9
315.16281	34.1
316.16589	0.6
331.15839	2.4
333.17352	100.0
334.17633	1.6
349.16901	0.7
351.18378	25.2
352.18787	0.7
356.15134	0.5
356.18961	11.9
357.19424	0.8
374.20178	5.2
529.38153	2.1
620.94269	0.6
627.44873	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.4
55.01854	10.2
55.05510	39.2
57.03431	14.8
57.07074	19.1
59.06157	4.7
67.05502	81.3
69.07063	34.0
70.84531	7.7
70.84930	9.4
71.04990	6.5
71.08634	33.5
73.06525	5.9
78.20887	3.9
79.05480	58.0
81.03406	4.8
81.07056	81.0
83.04977	7.3
83.08619	19.2
85.06555	8.1
85.10192	8.3
89.06032	42.4
91.05476	61.3
92.18504	5.2
93.07039	69.9
95.04972	14.0
95.08592	50.5
97.06533	10.0
97.10165	9.1
98.86617	5.0
99.08086	20.4
102.39611	4.1
105.07032	50.8
107.04937	6.8
107.08596	37.3
109.06512	13.4
109.10139	26.0
111.08093	7.8
117.07008	21.0
119.08565	41.4
121.10157	19.0
123.08062	4.5
123.11714	7.5
125.09639	10.1
129.07010	16.4
131.08572	42.8
133.08597	29.0
133.10129	29.5
135.11679	11.3
136.24402	4.2
137.13353	4.3
141.07016	4.7
143.08568	27.5
145.10112	29.1
147.11696	9.8
149.09610	8.2
149.13248	11.4
151.11206	11.1
155.08606	13.9
157.10115	17.0
159.11728	20.9
161.13287	14.7
163.11246	10.1
167.08563	5.7
169.10143	16.0
171.11646	21.9
173.13255	9.2
175.14798	6.8
177.11214	8.5
177.12639	5.4
179.14296	10.9
181.10097	9.5
183.11703	11.9
185.13251	16.2
187.14830	8.1
188.43411	4.1
195.11792	8.7
197.13287	13.2
199.14838	9.7
209.13319	5.8
211.14868	8.8
213.16489	5.4
221.13423	4.8
223.14909	7.3
225.16388	4.9
227.12692	5.3
227.17949	5.7
239.18018	8.6
241.19557	5.4
267.21118	7.3
275.20111	7.2
277.21625	25.2
293.20969	11.3
301.45193	5.0
306.11362	4.3
317.24792	4.8
335.26022	5.7
441.33826	4.2
515.35846	5.1
517.40253	12.1
529.38824	22.3
535.41467	15.3
541.38928	11.7
543.39990	5.2
547.36511	5.8
553.42432	5.8
555.40179	16.9
558.85699	4.5
569.41809	7.0
609.45148	61.0
626.65540	6.4
627.27014	7.1
627.46130	100.0
627.66034	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	627.2813
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
53.54082	1.6
55.05512	2.9
58.24296	1.6
59.19130	2.0
63.57929	1.5
67.05504	8.6
69.07054	2.2
71.58742	2.3
79.05482	6.6
81.07069	8.5
86.31286	1.8
91.05485	5.4
93.07049	5.6
93.18720	1.7
95.05029	2.5
95.08603	6.1
96.50720	1.7
105.07042	5.1
107.08604	4.3
109.10133	2.4
121.10157	2.5
131.08531	2.5
133.10158	3.5
135.11673	2.6
142.83148	1.6
155.08498	1.7
174.09206	4.1
187.12283	4.3
188.10776	1.8
211.08588	2.5
215.11824	3.4
227.11855	2.5
239.11842	2.6
243.11357	25.4
260.51459	1.8
267.11273	8.4
270.17239	1.6
277.09619	3.3
285.12381	4.7
295.10687	3.5
301.15561	4.1
305.12671	1.7
314.12924	3.0
321.11584	2.0
325.15503	9.2
327.13531	6.8
330.12415	3.5
341.99329	2.2
342.12384	3.2
343.13214	2.9
344.13962	4.7
346.15518	2.4
348.13535	3.1
351.13678	1.7
354.12341	1.8
356.14072	5.7
358.15518	3.4
372.17105	5.0
386.14746	2.4
398.14914	2.0
400.16623	4.0
404.16803	2.1
421.16718	1.9
431.18472	2.0
432.19217	4.2
435.14334	2.8
440.04254	2.0
441.94022	2.0
447.21753	2.2
461.23492	3.1
462.24265	2.7
463.21725	2.9
465.18817	15.1
467.17084	2.2
479.20511	5.9
480.21292	4.1
481.22263	4.8
492.21140	4.8
493.22351	2.5
495.16522	5.5
504.20847	2.4
507.23999	6.7
529.38538	3.0
535.23273	6.5
549.25281	11.7
567.25995	73.0
577.24750	2.9
595.16534	3.0
595.25549	49.9
627.27966	100.0
628.21167	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	627.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27598	0.3
53.03945	0.5
56.49486	0.3
57.03414	0.9
59.63004	0.3
61.02915	0.9
66.26111	0.3
68.99787	0.4
69.03426	2.3
71.05105	0.7
73.02914	0.4
74.37527	0.3
81.03413	1.3
85.02399	0.3
85.02908	6.7
93.03401	0.4
97.02879	2.2
99.04432	0.4
109.02881	1.2
111.00774	0.6
121.02837	0.4
127.03915	1.3
137.02333	3.5
142.61917	0.3
145.04938	0.5
153.01836	3.1
161.06001	0.4
163.03906	0.8
165.01820	1.8
175.20964	0.4
183.02910	0.6
183.04396	0.5
191.87520	0.3
201.05499	1.0
215.03307	0.4
229.04976	4.2
247.05972	0.8
257.04474	2.9
285.03909	1.9
301.07172	0.4
303.04996	100.0
304.05350	1.4
426.10205	0.4
465.10281	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	627.1552
Annotation	Myricetin 3-robinobioside
Peak:m/z	Relative Intensity
57.03424	3.1
61.02929	3.1
68.99783	1.1
69.03417	3.4
70.74316	1.4
70.74648	2.0
71.04990	12.2
73.02903	1.1
81.03423	1.5
83.96211	0.8
85.02906	22.9
87.09209	0.9
97.02893	3.8
109.02859	1.9
111.00778	2.2
111.04449	1.8
120.60307	0.9
127.03936	2.5
129.05470	4.3
129.10725	0.9
137.02353	5.2
139.03862	1.1
145.05045	1.1
153.01834	11.8
165.01837	4.4
174.53378	0.9
179.03435	1.8
189.05428	1.2
201.05490	1.2
217.05006	2.7
229.04973	2.1
245.04411	4.7
257.04358	1.8
273.03964	4.5
287.05450	3.7
288.05850	2.2
289.06073	2.2
290.03992	1.6
301.03644	1.3
301.07071	3.0
302.07370	2.0
303.04959	50.8
303.07791	2.8
315.04739	1.3
319.04483	100.0
320.04681	1.1
385.04999	1.1
475.08630	1.5
588.66364	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60712	3.9
55.01862	8.8
55.05527	3.8
59.23502	3.3
69.03439	20.9
71.58296	3.4
73.02931	4.8
76.16567	4.2
79.05496	3.9
81.03413	17.5
81.07049	4.3
84.95529	4.3
85.02901	44.4
87.00823	14.7
91.05479	11.2
93.07062	5.1
97.02910	16.2
99.04443	8.8
103.05466	17.8
105.01857	11.9
105.07058	6.8
107.04966	10.6
109.02875	20.2
115.05439	5.8
119.04939	11.7
119.08564	4.4
127.03937	31.4
131.04930	31.1
137.05974	100.0
145.04948	4.9
147.04414	10.4
149.06055	5.3
151.07593	5.7
159.02986	5.5
161.05986	17.0
161.09633	7.7
162.06750	5.8
163.07565	38.8
167.07047	4.2
174.06813	5.0
177.05504	11.6
177.09128	25.6
179.07071	8.4
189.09114	12.8
201.09045	8.9
219.10172	7.7
231.04922	7.5
272.10214	6.9
293.11639	26.1
313.14352	10.4
325.14435	11.1
636.78259	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	627.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
55.01862	0.4
55.70796	0.2
57.03432	0.5
61.02925	1.9
62.08436	0.2
65.52916	0.2
67.84039	0.2
68.99791	0.7
69.03426	2.0
70.06561	0.3
71.05007	0.2
73.02897	0.5
81.03419	1.2
85.02908	6.3
87.04437	0.2
91.03947	0.6
93.03410	0.3
95.04942	0.5
97.02887	2.6
98.97585	0.2
99.04446	0.4
102.07475	0.2
109.02869	0.9
111.00786	0.8
121.02881	1.0
123.04465	0.3
127.03909	1.5
129.74934	0.2
132.53006	0.2
134.99704	0.2
137.02335	3.6
137.03362	0.1
137.05969	0.3
145.04849	0.5
149.02321	0.3
150.27478	0.2
153.01828	3.3
161.06030	0.3
163.03926	0.6
165.01822	1.9
166.02698	0.2
173.05931	0.4
183.02910	1.1
183.04295	0.3
187.03920	0.4
191.03458	0.3
195.02896	0.3
201.05479	1.7
203.76259	0.2
219.06438	0.4
228.04227	0.3
229.04958	4.6
229.07043	0.4
231.05417	0.3
247.06042	1.0
257.04501	3.0
272.15842	0.2
274.04715	0.6
285.03937	1.3
303.04990	100.0
304.05380	1.4
319.04553	0.3
366.63074	0.2
451.12314	0.3
465.10342	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	626.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28650	1.6
56.34053	1.6
57.51795	1.8
70.06590	3.6
76.13566	1.8
82.99589	1.5
84.04463	1.5
85.02901	1.9
86.09705	3.6
91.05499	3.1
97.02911	3.0
119.04958	3.4
120.87962	1.5
122.06075	2.0
123.04478	2.7
124.70120	1.6
137.05972	12.8
139.03867	1.6
147.04430	13.0
153.01834	4.7
163.07524	2.8
165.38533	1.7
189.09140	1.9
211.65092	1.9
225.10260	2.4
230.20189	2.4
235.08672	2.5
237.10300	8.7
239.11751	1.7
249.10095	9.6
250.11024	3.7
251.11894	8.8
253.09715	21.2
263.11841	2.9
265.09726	16.1
266.10229	2.0
267.11295	4.8
277.09702	3.1
278.10455	6.1
279.08496	2.2
279.11249	11.8
280.12015	4.9
291.11166	2.7
293.09280	5.9
293.12851	7.3
294.10193	2.5
295.10922	4.0
295.14200	3.4
297.12314	4.0
307.10623	2.2
309.09048	1.9
309.12363	5.5
311.05359	2.1
311.10257	2.5
311.13873	4.1
312.11050	13.5
319.04468	3.5
324.10788	2.8
325.11853	6.6
326.12469	1.8
327.13361	62.8
327.17145	3.5
328.13751	3.4
335.10257	5.3
336.11096	2.5
337.11743	4.9
339.13373	87.8
340.13989	4.5
352.10379	2.3
353.11298	8.4
367.12878	92.6
367.74753	2.1
368.13492	10.0
399.15573	3.2
424.17657	1.7
465.11835	4.2
518.19098	5.1
550.15509	1.5
550.22101	15.6
551.75775	1.8
562.18164	3.6
566.21393	2.4
594.20807	100.0
595.21112	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	626.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
67.07397	0.7
69.61768	5.7
88.68848	0.7
94.06518	0.8
104.93147	0.8
121.06454	1.2
122.05986	0.9
146.05968	2.4
152.06976	1.4
174.05354	0.7
176.10753	0.9
179.90993	0.9
190.04951	1.4
194.08154	1.6
209.10695	2.1
222.11534	0.8
222.96259	0.7
223.12291	1.7
224.09219	1.0
225.10216	3.7
235.08589	3.0
235.12201	0.8
236.09470	2.1
237.10197	11.0
238.10942	2.1
239.11769	1.6
240.12486	1.1
249.10210	9.0
250.10968	5.9
251.08090	0.9
251.09137	0.9
251.11795	12.6
252.12529	2.4
253.09715	22.8
253.13516	1.2
253.15787	0.9
261.10144	1.2
263.08127	1.1
263.11810	2.2
264.08786	1.2
265.09708	17.1
266.10330	1.7
267.11279	7.9
268.11993	0.8
277.09799	4.0
278.06671	1.3
278.10489	7.9
279.07715	2.5
279.11221	15.7
280.09015	1.0
280.12003	4.9
281.12662	1.7
282.09979	0.8
283.10629	0.8
285.12250	0.8
289.09579	1.9
291.11282	2.0
293.09180	5.0
293.12793	5.4
294.09940	3.2
294.13245	1.3
295.10764	5.7
295.14331	2.6
297.12280	3.6
306.10150	1.0
307.10709	2.6
308.11603	2.0
309.08875	1.4
309.12253	6.9
311.10233	2.7
311.13873	3.9
312.11047	17.9
313.11725	1.1
321.12012	0.9
323.13934	1.7
324.10947	4.1
325.11807	8.7
326.12506	0.9
327.13385	67.6
328.13770	2.0
334.09531	1.0
335.10294	6.1
336.11020	1.2
337.11789	4.5
339.13385	93.2
340.13858	4.9
352.10522	2.9
353.11298	8.9
367.12872	100.0
368.13522	10.1
399.15509	5.1
458.16693	0.9
474.19977	0.9
500.17804	1.2
508.20877	3.3
518.19531	5.4
522.22473	1.4
550.21796	15.0
562.18005	2.2
566.21381	2.6
576.19476	1.1
577.15961	0.8
594.20801	95.3
595.21002	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	626.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	19.1
56.05021	1.5
57.86998	1.1
60.43030	1.0
65.78407	1.1
67.01868	1.4
68.99793	2.6
70.02959	3.6
70.06593	1.2
71.57693	1.1
71.58080	1.1
74.00665	9.2
76.04001	3.1
79.92295	1.2
81.03425	1.3
82.06554	1.4
83.06108	15.7
84.04505	35.4
85.02918	1.3
85.04034	13.0
86.99046	1.0
89.66993	1.1
92.01717	3.2
99.05586	2.9
109.02917	3.2
109.07632	3.4
110.06023	2.2
111.00800	2.4
112.03970	21.2
113.02365	1.0
113.03481	3.0
116.01679	1.9
127.03893	1.6
127.05059	1.5
129.06590	15.4
130.05000	93.1
131.04518	6.5
136.03911	1.0
137.00581	2.6
137.02296	1.1
139.03917	5.6
140.01662	2.6
144.01302	1.2
145.06079	10.6
148.03914	1.2
149.02382	7.4
152.01634	1.6
152.99997	3.7
153.01828	100.0
153.06638	4.0
155.08095	5.4
156.99573	6.5
163.03960	2.9
164.04689	1.3
165.00052	16.7
165.01576	1.4
165.01843	1.1
166.02693	1.3
167.03413	2.7
168.05312	1.6
168.99532	1.9
171.01123	20.2
171.02664	1.4
177.01907	1.4
177.03279	29.1
178.03651	1.4
178.04945	5.8
179.01649	2.4
179.03386	2.1
180.01115	1.5
180.99553	8.0
181.01341	3.0
181.06084	3.9
183.01138	16.8
184.99062	5.1
185.03883	2.3
186.06364	1.4
187.05400	3.2
191.05832	1.5
194.04517	3.5
195.01129	4.4
195.02917	8.2
196.99065	3.0
197.02625	1.8
197.59229	1.1
198.02299	2.1
199.00587	7.5
199.07098	6.0
207.01062	1.0
210.02185	16.2
211.00740	1.1
219.02890	2.8
222.84247	1.1
223.00581	4.1
224.03751	9.5
225.02118	2.9
229.05042	2.3
231.01346	1.6
231.04384	6.3
232.05099	1.2
242.04883	1.7
247.06105	3.0
249.02174	2.2
257.04468	1.4
257.07629	1.6
259.00604	10.2
261.03952	2.5
274.01706	2.1
275.05447	5.5
277.01721	4.0
287.00137	17.4
287.05267	7.3
288.05948	6.4
295.02747	9.2
298.04694	3.7
301.03458	1.3
301.07053	2.5
302.04272	1.6
303.05081	10.3
305.01151	6.1
313.04895	31.0
314.99615	4.0
315.55026	1.0
321.05945	5.6
323.02167	9.6
327.06396	31.8
329.04385	1.2
331.02823	5.7
333.00604	47.2
335.02151	2.5
345.07605	7.3
351.01648	16.9
358.03842	1.7
359.02228	3.5
376.05011	2.5
377.03238	16.4
383.80649	1.1
394.05823	10.1
399.08640	3.4
422.05447	1.7
474.11584	2.3
479.07434	7.3
497.08664	33.9
523.10309	1.5
533.08362	1.7
551.09674	52.0
609.09851	1.5
626.12976	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	625.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68761	7.3
55.01865	15.2
55.05515	45.0
57.03445	11.8
67.05502	100.0
67.95047	7.5
69.07066	35.9
71.04996	9.8
79.05492	84.6
81.07065	88.8
83.08617	22.2
85.06532	9.6
87.93445	7.6
91.05466	88.7
93.07035	65.6
95.04968	13.3
95.08604	73.3
97.06513	16.7
97.10187	13.8
99.08100	8.4
105.07037	69.1
107.04967	9.0
107.08596	59.2
109.10115	38.4
115.05453	9.3
115.74631	7.4
117.06998	35.1
119.08561	51.6
119.41632	7.1
121.10143	26.4
123.08089	10.2
125.09618	17.6
129.07011	31.8
131.08551	54.1
133.09239	7.2
133.10097	44.4
135.08035	13.7
135.11659	19.2
141.06999	14.4
143.08557	38.2
145.10124	40.8
147.11699	24.0
149.13300	11.6
155.08545	30.7
157.10101	28.6
159.08052	10.0
159.11734	28.1
161.06102	7.8
161.09668	8.9
161.13229	10.0
163.11127	10.8
168.09419	8.2
169.10107	24.7
171.11691	22.0
173.09608	9.1
173.13350	18.3
183.11714	17.4
185.13196	11.7
187.14862	15.9
197.13235	20.8
199.14651	12.7
205.50542	8.5
209.13455	8.3
211.14850	11.5
259.20670	13.4
273.18573	31.7
275.20044	19.8
291.19592	13.0
309.22012	7.9
335.25827	16.6
349.23853	13.9
435.32657	11.2
515.38574	13.1
522.80414	8.8
533.39917	12.0
551.40375	9.6
607.43835	49.4
625.28882	11.7
625.44690	95.8
626.45160	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	625.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30567	1.5
50.38158	1.8
53.03947	4.8
54.40334	1.5
55.01870	13.2
55.05512	36.7
55.05764	1.2
57.03432	7.1
57.07076	1.9
59.05026	2.4
65.03932	3.9
67.05500	59.3
69.03442	2.4
69.07066	28.0
69.35780	4.8
69.36196	12.3
71.04990	5.4
77.03911	1.6
79.05074	1.5
79.05490	41.9
81.03418	3.2
81.07053	63.3
83.04986	5.7
83.08614	17.7
85.06538	3.6
91.05476	36.0
91.06011	2.9
93.07037	42.0
95.04969	9.3
95.08604	32.8
97.06535	14.5
97.10173	13.8
98.21479	2.6
103.05487	1.9
105.07030	36.5
107.04972	4.7
107.08591	25.5
109.06509	4.2
109.10148	21.0
111.08091	5.0
113.63911	1.6
117.07012	19.6
119.08572	31.8
121.06532	1.9
121.10135	16.2
123.08109	4.5
123.11732	9.2
125.09661	9.7
128.06210	6.1
129.06984	18.0
131.08568	27.1
133.06541	2.4
133.10124	27.3
135.11638	9.6
137.09677	2.2
139.11176	3.0
141.07001	7.2
142.07806	6.3
143.08536	21.1
145.06499	2.3
145.10124	29.7
147.11682	15.3
149.09633	6.7
149.13315	4.5
149.18369	1.7
155.08560	16.6
156.09387	2.7
157.10120	24.1
158.10738	2.1
159.11685	21.2
161.09663	3.4
161.13258	9.0
163.11234	6.1
167.08560	8.2
168.09325	3.2
169.10110	20.0
171.10239	3.2
171.11653	18.0
173.13237	12.8
175.11246	2.9
175.14888	5.1
179.08647	2.8
179.14293	2.9
181.10133	8.8
182.10898	2.3
183.11708	19.1
184.12457	1.8
185.09746	2.0
185.13252	13.8
187.13397	3.4
187.14880	5.7
189.11261	4.3
189.12807	2.4
189.16489	1.7
193.10118	3.5
195.11673	10.1
195.85803	1.6
197.13266	14.9
199.11325	2.5
199.14810	11.9
201.16423	4.0
207.11766	5.2
209.13293	10.2
211.14786	9.0
213.16458	5.6
217.10124	1.8
219.11600	2.5
221.13342	4.3
223.14853	6.4
225.16371	8.3
227.12831	7.1
227.18013	6.5
229.14287	1.9
235.14835	3.8
237.16458	4.3
239.17834	3.6
241.19623	6.8
243.15793	3.1
247.20517	2.1
249.16411	2.8
251.17923	4.2
253.19592	4.4
255.20984	2.3
257.18991	5.1
259.20660	6.2
261.22113	1.7
273.18628	3.3
275.20132	13.0
291.20117	1.8
295.20242	1.9
306.68936	1.7
315.23523	2.0
323.23529	2.3
333.24298	4.1
335.23541	3.4
349.24191	2.5
353.24612	2.2
365.28497	7.5
379.30283	3.2
381.31702	4.0
383.29318	3.7
421.30954	4.5
439.32535	3.4
447.38422	1.9
453.33932	2.6
460.64017	2.1
463.30783	2.2
495.34589	2.5
513.35748	22.7
515.38788	7.6
527.37433	4.7
533.39874	16.1
551.41113	7.4
607.43427	48.5
608.44287	2.1
625.44611	100.0
626.44800	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	625.446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62035	3.2
53.03942	6.0
55.01862	10.7
55.05513	40.4
57.03436	9.8
57.07074	4.7
57.86744	2.7
65.03928	3.0
66.74860	2.5
67.05505	68.7
69.03458	2.9
69.07066	37.7
70.19778	2.9
70.84280	6.5
70.84618	3.6
71.04994	5.1
79.05489	52.4
81.03417	3.9
81.07060	66.8
83.04977	9.8
83.08620	18.2
85.06517	5.3
91.05481	49.8
93.07040	53.2
95.04954	15.8
95.08609	43.1
97.06529	15.0
97.10176	11.2
99.08159	4.1
103.43188	3.0
105.07034	44.7
107.04935	3.6
107.08578	27.7
109.06516	7.0
109.10147	28.5
111.08076	6.1
117.07008	22.9
119.08581	31.3
121.06535	4.9
121.10158	13.6
123.08097	4.2
123.11726	5.9
125.09636	8.0
128.06172	7.1
129.07013	23.2
131.08585	33.6
133.10165	25.5
135.08055	9.0
135.11697	11.1
137.09618	5.1
141.07025	9.6
142.07788	4.3
143.08565	22.0
145.06458	3.9
145.10133	32.4
147.08037	3.1
147.11719	11.6
147.46713	2.9
149.09657	7.2
151.11172	6.1
153.07063	4.6
155.08549	13.9
157.10136	22.3
158.10475	3.2
159.11714	17.7
161.09668	4.0
161.13310	13.0
167.08578	7.6
169.10086	14.2
171.11671	23.3
173.11945	3.3
173.13297	12.8
175.14902	5.6
179.08566	3.1
181.10194	9.9
183.11656	20.4
185.13278	18.1
187.14792	9.0
189.11255	7.1
191.14241	3.7
193.10114	6.6
195.11736	11.1
197.13301	11.4
199.14890	9.5
201.16360	3.8
207.11784	5.5
209.13295	9.3
211.14828	8.8
213.16467	6.3
221.13315	5.9
223.14973	6.8
225.16428	4.2
227.12782	5.1
227.18030	4.2
235.14824	5.4
237.16484	5.3
239.17978	3.6
241.19534	6.6
253.19557	3.0
257.19101	6.6
259.20566	5.6
271.17139	3.5
273.18604	9.5
275.20123	12.1
277.21701	4.5
291.19473	6.6
305.95377	3.7
365.28687	4.4
379.30026	5.8
513.35901	16.8
515.38708	10.6
527.37122	6.1
533.40082	6.1
548.10406	3.6
551.40723	9.1
607.43402	33.1
625.44482	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.0
55.01871	37.0
55.05508	32.3
56.01085	3.9
57.03422	14.3
65.03932	3.8
67.05175	4.7
67.05506	78.4
69.03440	3.7
69.07069	77.8
69.91479	8.9
69.91881	15.4
71.05004	5.9
77.03967	3.4
79.05488	53.9
81.03400	13.4
81.07056	86.8
83.04978	12.9
83.08624	18.8
84.01984	3.5
85.06532	5.0
91.05474	66.7
93.07047	49.4
95.01324	5.0
95.04964	16.6
95.08607	53.2
97.06526	46.7
97.10158	8.7
99.08085	5.3
105.07033	72.7
106.07373	4.2
107.04929	13.3
107.08596	33.4
109.06517	6.5
109.10160	22.1
111.08043	7.7
115.05431	4.8
117.07014	29.2
119.08576	54.4
120.66416	3.8
121.06498	6.4
121.10165	19.1
123.08032	8.2
123.11671	4.7
125.09580	6.5
128.06250	5.2
129.06993	19.5
131.08563	57.8
133.10138	41.6
135.08035	7.8
135.11658	14.7
141.06966	9.1
142.07747	4.8
143.08543	28.0
145.10123	41.9
147.08031	5.2
147.11699	27.0
149.09618	8.0
149.13274	10.3
151.11168	5.4
155.08572	11.8
157.10139	32.0
159.11685	29.6
161.09624	4.8
161.13264	20.2
163.11156	8.8
167.08556	7.2
169.10115	22.1
171.10316	5.4
171.11606	26.5
173.09601	5.1
173.13237	23.6
175.14793	6.8
179.08521	4.0
179.14333	6.4
181.10095	12.7
183.11670	15.4
185.13258	19.9
187.14883	8.8
195.11717	15.9
197.13217	15.5
199.14856	6.5
207.11543	3.6
209.13304	12.5
211.14761	7.4
213.16376	8.8
215.17964	7.2
223.14766	8.6
227.17944	6.7
231.20973	4.1
235.14702	5.7
241.19475	16.3
253.19774	4.7
257.18985	6.4
259.20575	25.1
261.21960	4.5
273.18600	7.8
275.20090	42.2
276.20407	5.8
297.21817	6.0
315.23126	5.8
327.23083	4.7
333.24356	17.6
335.25806	4.5
349.23688	19.9
353.24777	5.9
435.32721	9.2
437.34012	18.0
455.35516	6.2
493.36420	4.5
511.38141	7.6
513.35333	10.6
515.38391	5.9
527.37372	8.2
529.38458	6.2
533.39832	12.7
551.40582	8.3
556.38104	4.3
565.24805	5.4
607.43469	54.7
625.27380	7.3
625.44495	100.0
626.44501	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	625.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61173	1.7
53.03944	5.9
55.01871	13.4
55.05263	3.0
55.05511	38.8
57.03432	7.6
57.07073	4.4
57.76247	1.6
59.04992	2.7
61.31080	1.8
65.03931	3.6
67.05505	64.1
68.81304	1.8
69.03411	3.5
69.07066	32.3
69.34863	20.5
71.04993	4.8
79.05490	44.7
81.07059	61.5
83.04980	6.0
83.08617	21.8
85.06538	4.1
91.05479	42.1
93.07044	37.1
95.04979	9.2
95.08608	40.9
97.06534	12.6
97.10181	13.4
99.08076	2.6
103.05521	2.2
105.07030	46.7
107.04957	4.6
107.08589	29.3
109.06545	4.7
109.10162	23.9
111.08064	4.9
115.05469	2.3
117.07030	20.0
119.08575	30.1
119.09351	2.5
121.10132	15.3
123.08080	4.5
123.11700	9.7
125.09631	12.4
128.06218	4.1
129.07019	22.1
130.07816	2.1
131.08578	30.7
131.58231	1.7
133.10121	25.9
135.08064	3.5
135.11714	8.3
137.09642	3.4
139.99141	1.9
141.06970	9.7
142.07785	6.0
143.08571	25.1
145.10117	29.2
147.08028	3.4
147.11684	14.3
149.09633	4.8
149.13318	3.7
154.07790	3.8
155.08572	16.8
156.09270	3.3
157.10133	29.9
159.11682	24.3
161.13286	7.1
163.11203	5.0
165.06993	2.4
167.08575	7.5
168.09338	3.6
169.10147	20.6
171.11682	21.9
173.09535	2.3
173.11900	2.9
173.13222	9.1
175.11165	3.0
175.14827	3.3
179.08591	4.6
179.14348	2.2
181.10182	13.8
183.11726	23.3
185.13278	19.2
187.13316	4.5
187.14851	5.4
189.11313	4.7
189.12894	2.6
193.10132	4.4
195.11768	9.7
197.13300	16.6
199.11330	2.9
199.14795	10.6
201.16472	3.7
207.11784	5.6
209.13252	11.5
211.14786	15.1
213.16422	5.2
215.18105	2.1
221.13251	5.7
223.14888	7.2
225.16360	6.9
227.12808	6.4
227.18031	3.5
229.14381	3.7
235.14844	3.5
237.16415	5.8
239.17957	6.2
241.19603	4.5
243.15939	4.0
249.16454	2.1
251.18040	5.5
253.19669	3.5
257.18893	4.7
259.20621	5.2
265.19565	3.4
267.21164	3.0
273.18536	2.8
275.20221	10.6
309.22006	2.2
311.23520	2.3
313.21603	2.6
315.23276	2.4
323.23700	3.0
333.24417	4.7
349.23740	4.0
352.51266	2.4
363.26770	2.5
365.28424	9.9
381.31586	4.5
383.29535	3.9
395.07156	1.8
421.31024	5.1
435.32312	2.2
439.32309	4.4
495.35040	2.9
513.35846	26.5
515.38837	9.1
533.39801	11.9
551.40833	7.9
576.43652	2.0
589.42346	4.3
607.43597	54.0
607.53369	3.6
625.44653	100.0
626.44922	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.6
55.01868	37.4
55.05507	41.0
57.03435	9.2
57.07083	8.7
63.99145	3.6
65.03922	4.4
67.05506	80.6
68.78377	3.7
69.07069	77.0
70.26707	18.5
70.51500	3.8
71.05006	4.5
71.08628	3.7
79.05486	61.4
81.03413	9.8
81.07053	81.4
83.04974	11.3
83.08607	16.0
86.51393	3.5
91.05478	67.9
93.07041	70.0
95.01350	5.9
95.04961	15.6
95.08601	52.3
97.06522	52.4
97.10143	6.5
99.08144	6.0
101.83671	3.8
105.07037	80.9
107.04959	15.1
107.08598	38.4
109.06505	8.9
109.10159	23.7
111.08102	3.6
117.07005	29.1
119.08582	50.1
121.06530	3.4
121.10123	21.4
123.08054	6.1
123.11665	5.3
125.09618	7.3
128.06250	5.7
129.07014	19.0
131.08562	56.2
133.06552	4.3
133.10133	46.4
135.08025	6.9
135.11705	18.6
137.09628	5.2
139.11145	3.7
141.06979	9.1
142.07852	4.6
143.08571	35.7
145.06512	7.1
145.10135	42.6
147.11667	23.3
149.09607	7.9
149.13266	6.2
154.07721	3.7
155.08540	15.9
157.10135	29.1
159.11708	35.7
161.09641	4.6
161.13312	22.1
163.11214	8.9
165.07085	4.4
167.08553	9.6
169.08806	4.6
169.10120	21.1
169.76445	3.7
171.11688	30.7
173.13289	26.4
175.11140	5.0
175.14862	11.0
177.12791	10.7
179.14339	6.2
180.09393	3.7
181.10117	12.5
183.11641	20.6
185.13255	23.2
187.11253	7.0
187.14832	8.0
193.10178	6.1
195.11728	11.0
197.13274	14.3
199.14874	14.4
201.12663	4.3
207.11687	8.4
209.13361	5.5
211.14842	10.5
213.16396	10.6
223.14835	5.3
225.16434	5.5
231.21236	4.0
235.14915	4.3
237.16447	4.9
239.17986	5.4
239.83461	4.1
241.16054	4.0
241.19514	17.2
253.19637	4.2
257.19025	11.3
259.20520	25.2
267.21158	3.6
270.07806	4.3
273.18427	10.6
275.20041	49.5
276.20511	3.9
277.21954	5.9
291.19501	9.8
293.21283	4.2
315.23093	4.4
319.89468	3.9
333.24185	23.2
347.22610	5.1
349.23691	29.8
407.29550	5.7
419.32910	5.7
435.32587	11.7
437.34058	20.5
439.32819	4.8
448.09680	4.0
460.15451	3.9
509.35971	5.6
511.37872	11.8
513.35785	9.4
515.39215	7.0
527.37219	7.9
529.38458	6.9
533.39886	15.1
537.35297	5.2
539.38153	5.1
551.40735	11.6
607.43597	64.9
625.44714	100.0
626.44653	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	625.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.2
53.33533	2.5
55.01867	11.1
55.05513	42.7
57.03418	7.5
57.07081	4.9
59.05004	2.8
65.03912	3.3
67.05505	66.0
69.03419	4.3
69.07064	33.0
69.42108	28.7
71.04996	7.1
71.08628	2.9
76.43324	2.7
79.05497	54.4
80.97193	3.1
81.03435	4.1
81.07064	71.6
83.04964	4.3
83.08626	20.2
85.06541	5.5
91.05476	49.4
93.07045	50.1
95.04970	13.9
95.08604	40.9
97.02924	2.7
97.06539	10.9
97.10166	11.3
98.20749	5.3
99.08101	7.7
105.07036	41.8
107.04998	5.4
107.08607	34.6
109.06502	7.6
109.10163	26.6
111.08067	4.4
111.11771	2.8
117.07018	20.8
119.08594	39.0
121.10140	17.9
123.08082	3.7
123.11720	11.7
125.09676	10.0
128.06255	8.6
129.07025	17.1
131.08580	31.6
133.06407	3.5
133.10141	25.8
135.08084	6.1
135.11728	9.1
137.09648	3.4
141.07010	8.9
142.02129	3.0
142.07726	6.2
143.08571	22.1
145.10139	29.4
147.11707	14.6
149.09650	7.9
149.13292	4.7
151.11201	4.3
152.76469	2.8
153.07004	3.7
155.08568	19.0
156.09315	5.7
157.10143	27.2
159.11681	24.3
161.09586	4.3
161.13252	7.5
163.11168	6.6
167.08603	6.8
169.10112	23.1
171.11676	23.4
173.13210	16.2
175.11232	2.9
175.14835	3.8
177.12709	2.9
179.08647	4.0
179.14345	3.4
181.10135	13.1
183.11716	18.0
185.13173	16.4
187.14809	6.4
189.12817	3.6
193.10226	4.2
195.11726	13.0
195.13690	2.9
197.13206	13.3
199.11327	3.3
199.14886	8.4
201.16455	3.4
207.11678	4.0
209.13315	9.5
211.14828	10.5
213.16551	4.2
221.13277	5.9
223.14870	5.7
225.16440	7.5
235.14873	3.9
237.16476	4.7
239.18159	3.6
241.19716	3.4
253.19617	3.8
259.20728	6.1
273.18634	4.4
275.20132	12.3
325.21667	2.9
325.25613	2.7
333.24689	4.1
335.25848	4.1
337.21490	4.1
349.23990	4.5
365.28519	6.3
403.30035	4.3
439.32352	5.4
471.34146	3.3
495.34671	3.5
513.35742	20.3
515.38696	8.0
527.37372	11.6
533.40094	11.1
551.41125	7.7
607.43488	42.0
625.44592	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.6
55.01863	6.7
55.05508	28.2
57.03434	4.0
57.07081	4.5
67.05506	44.3
69.03426	3.2
69.07057	19.8
69.48580	21.3
71.01357	2.1
73.95000	2.3
77.60947	2.4
78.36861	2.2
79.05493	32.8
81.03410	7.7
81.07064	40.5
83.04961	6.4
83.08621	10.4
88.99292	2.6
89.70013	2.4
91.05475	34.0
93.07040	33.0
95.04981	9.2
95.08615	24.0
97.06506	5.7
97.10162	12.6
98.98476	13.6
105.07030	25.3
107.04933	4.0
107.08595	19.2
109.06503	6.2
109.10152	19.4
111.08101	2.4
115.05484	2.2
117.07024	16.7
119.08593	22.1
121.06499	2.9
121.10158	10.9
123.08045	5.4
123.35416	2.5
125.09623	12.4
128.06273	3.5
129.05571	2.4
129.07007	10.3
131.08575	20.8
133.10139	16.6
135.08066	7.0
135.11678	6.4
136.66089	2.5
141.07004	4.1
143.08575	12.6
144.09280	2.4
145.06444	4.4
145.10147	14.3
147.08047	6.2
147.11714	8.9
149.09625	4.7
149.13239	3.3
153.09134	5.2
155.01056	6.5
155.08554	6.6
157.10136	12.4
159.08073	3.6
159.11693	7.4
161.13295	3.8
169.10104	7.1
171.11702	10.7
173.09798	2.3
173.13254	5.8
175.14827	3.1
177.08940	2.5
181.10103	4.8
183.11650	4.7
185.13315	8.0
187.14845	4.1
189.11278	4.1
195.11601	2.6
197.13234	3.9
199.14845	4.8
201.16341	3.4
207.11874	3.4
213.16405	2.8
225.16470	3.6
227.12782	4.1
227.17999	3.0
269.10608	2.3
275.20108	3.1
285.22226	2.7
299.23953	2.6
301.25317	17.6
311.56851	2.4
341.24661	3.8
357.27951	3.0
435.32440	9.7
445.29810	15.6
453.33759	16.7
462.88992	2.5
471.34631	14.8
509.36221	7.9
527.37311	100.0
528.37750	3.4
607.33917	5.4
625.34479	19.4
625.44733	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.356
Annotation	Caribenolide I
Peak:m/z	Relative Intensity
53.03932	4.7
55.01866	8.3
55.05258	3.8
55.05513	38.5
57.03442	6.7
57.07082	3.9
65.03957	3.4
67.05505	70.1
69.03426	4.1
69.07076	26.4
71.04988	8.1
79.05490	47.7
81.03422	10.0
81.07058	65.4
83.04967	9.0
83.08627	19.4
85.02898	3.1
85.06535	6.8
91.05480	45.5
93.07043	39.9
95.04955	10.0
95.08610	39.9
97.06533	10.1
97.10179	14.8
98.20783	6.3
98.98474	17.3
105.07030	41.8
107.04948	8.3
107.08601	31.1
109.06512	4.8
109.10155	25.9
111.08131	5.2
115.05454	3.4
117.07032	18.6
119.08580	33.5
121.06517	6.5
121.10147	15.1
123.08078	4.7
123.11709	6.2
125.09619	15.8
128.06242	5.5
129.06995	23.6
131.08565	28.1
133.06474	3.2
133.10130	22.6
135.08069	7.2
135.11722	9.1
141.06995	7.8
143.08539	18.2
145.06482	3.9
145.10127	26.3
147.08086	2.5
147.11638	12.1
149.09662	5.4
149.13268	7.3
149.19775	2.5
151.11140	2.6
153.09143	7.7
155.01117	3.0
155.08572	8.7
157.10132	18.6
159.08081	3.6
159.11734	16.1
161.09608	3.4
161.13258	11.7
163.11189	6.7
167.08629	7.7
169.10129	17.9
171.10338	4.7
171.11630	17.5
173.13287	10.4
175.14815	5.8
181.10100	5.3
183.11682	15.0
185.13216	13.4
187.14861	4.8
189.11195	5.5
189.16302	4.4
195.11725	9.1
197.13351	8.6
199.14819	8.1
201.16348	3.9
207.11627	2.8
209.13292	5.2
211.14836	5.4
213.16365	6.5
225.16379	3.7
227.12706	5.8
237.16385	4.3
239.17995	3.6
241.19534	4.5
249.16272	3.2
259.20541	6.9
268.86365	2.5
273.18478	4.1
274.48557	2.4
275.20117	9.0
285.22006	4.1
301.25262	14.0
311.23264	3.5
329.24857	2.9
349.24271	3.5
353.24768	3.5
365.28305	4.6
371.25781	3.7
383.24551	3.0
383.29230	3.1
435.32574	6.3
445.29468	16.7
453.33636	12.2
463.30630	6.8
471.34540	11.5
509.36151	8.6
513.35596	11.0
515.38293	4.6
527.37335	100.0
528.37372	3.5
533.40161	4.6
551.41107	4.3
607.34088	6.9
607.43408	19.8
625.34790	17.2
625.44464	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.5
55.01868	11.2
55.05512	46.4
57.03421	12.4
61.29026	3.8
65.03937	7.3
67.05176	6.1
67.05508	87.8
69.03426	9.7
69.07071	30.0
71.04982	9.3
71.59082	4.9
79.05495	63.5
81.03417	23.9
81.07059	100.0
83.04958	10.1
83.08635	26.3
85.02879	5.0
85.06548	8.7
87.69704	4.6
91.04968	6.2
91.05482	76.1
93.07043	60.2
95.04964	13.7
95.08603	50.5
97.02892	4.1
97.06535	12.6
97.10172	21.3
99.08091	4.4
105.07033	58.1
107.04964	11.4
107.08589	40.8
109.02811	4.8
109.06508	8.5
109.10142	34.7
111.04421	5.4
111.08076	6.9
115.05472	4.9
117.07030	35.9
119.08577	48.3
121.06512	11.6
121.10139	22.5
123.08081	4.3
123.11679	8.1
125.09626	11.5
128.06229	9.0
129.06993	26.8
131.08565	45.9
133.06540	5.8
133.10121	38.7
135.08052	6.9
135.11702	15.0
137.09573	4.2
141.06992	13.0
142.07771	4.7
143.08554	27.0
145.06493	4.5
145.10144	35.8
147.11673	21.9
149.09630	9.5
149.13277	6.4
151.11261	5.3
153.07147	5.4
155.08562	22.6
156.09332	3.9
157.10121	29.2
159.08090	4.5
159.11705	26.4
161.09647	4.7
161.13206	8.0
163.11169	8.1
165.12575	3.9
167.08557	6.3
168.09320	4.3
169.10138	21.6
171.11691	19.5
173.11842	6.0
173.13226	9.6
175.14795	5.5
175.62184	4.1
181.10101	9.4
183.11670	22.0
185.13243	10.5
187.14783	6.6
195.11732	13.9
197.13280	17.9
199.14874	8.0
209.13245	10.2
211.14955	8.9
213.16383	4.9
221.13194	6.6
223.14949	7.6
227.12659	6.1
229.14250	5.2
241.19531	9.9
257.19052	5.6
259.20615	6.2
263.18262	5.1
267.21240	4.8
269.17346	6.6
275.20093	14.7
301.25253	6.5
353.24628	7.3
365.28604	8.7
371.25522	7.1
389.26758	11.7
445.29523	54.0
453.33188	4.5
463.30493	17.9
513.35297	7.8
527.37323	30.4
533.39777	13.4
551.40796	12.3
607.43274	32.1
625.33124	25.1
625.44330	77.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45319	4.0
55.01868	7.3
55.05503	26.3
57.03435	10.7
57.07080	6.4
67.05504	47.0
69.07069	18.5
70.22444	18.8
71.21515	4.2
79.05494	42.0
81.03400	5.8
81.07047	38.5
83.04990	5.7
83.08630	11.9
85.06515	4.3
91.05487	33.1
93.07057	28.5
94.92973	5.3
95.04968	8.6
95.08608	25.9
97.10174	15.5
98.98470	14.6
105.07019	32.2
107.08604	16.7
109.06516	6.4
109.10155	16.0
111.38998	4.8
117.07030	16.4
118.22981	4.2
119.08581	20.0
119.65991	4.8
121.06493	5.7
121.10148	8.7
125.09629	12.1
128.06291	4.5
129.06996	14.9
131.08586	26.7
133.10165	21.0
135.08052	5.4
135.11717	5.5
143.08548	9.0
145.10141	16.2
147.11681	8.3
149.09650	4.8
149.13310	6.0
153.09103	5.1
155.08507	6.3
157.10132	12.4
159.08055	5.9
159.11674	10.5
161.13269	6.6
167.41696	4.2
169.10088	5.3
175.14934	6.0
181.10190	4.9
183.11629	4.8
241.19469	7.0
266.64786	5.7
275.19876	4.8
301.25253	12.7
357.28348	4.9
370.60974	4.3
435.32651	9.9
445.29340	9.1
453.33798	15.0
463.26428	6.1
471.34708	14.6
509.35773	10.2
527.30078	6.7
527.37347	100.0
607.33539	8.5
607.43073	5.8
625.33069	18.1
625.44116	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	625.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	3.2
55.05517	18.9
58.55511	2.4
67.05503	30.9
69.07057	10.9
69.87099	2.4
71.04989	3.8
71.59262	3.1
73.38524	2.6
75.80140	2.6
79.05492	24.4
81.03384	3.2
81.07037	21.1
83.04982	3.7
83.08613	8.3
85.06493	2.6
91.05455	16.7
93.07056	18.4
95.04990	5.3
95.08614	16.2
97.06512	3.1
97.10152	7.7
98.98471	10.9
105.07006	14.1
107.04949	3.2
107.08589	11.9
109.06535	3.5
109.10165	10.5
117.07014	6.9
119.08562	16.3
121.06508	3.0
121.10131	6.0
123.08099	4.1
125.09639	9.3
129.06976	6.7
131.08563	12.2
133.10129	9.3
135.08054	4.8
135.11717	3.4
143.08559	8.1
145.10158	11.9
147.08015	4.8
147.11702	3.4
153.09135	4.8
155.01009	4.2
155.08569	5.3
157.10109	5.8
159.11691	4.5
169.10194	2.9
171.11642	3.4
173.13264	5.4
175.14818	3.1
183.11769	5.3
183.29713	2.7
185.13234	3.9
188.59837	2.6
189.11244	5.9
197.13176	3.7
227.17952	2.6
236.24171	2.8
285.22101	4.3
301.25244	17.1
320.77454	2.7
341.24762	2.9
435.32788	8.9
453.33826	14.8
471.34448	15.7
503.78726	2.9
509.35846	6.6
527.37335	100.0
625.35065	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	625.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
55.01878	2.9
55.05523	16.3
57.03436	6.7
57.07061	3.1
63.74650	1.6
67.05510	28.1
69.03426	2.2
69.07066	10.4
71.58577	3.5
79.05493	23.3
81.07059	24.1
83.04993	2.6
83.08624	7.6
85.06519	2.6
91.05480	18.3
93.07040	19.9
95.04967	6.1
95.08612	15.4
97.06514	3.3
97.10188	11.5
98.98470	11.2
103.05482	1.9
105.07041	18.8
106.07365	1.9
107.04955	3.4
107.08604	13.6
109.06520	3.6
109.10160	5.4
110.39497	1.7
117.07037	6.8
118.94212	1.9
119.08591	16.2
121.06525	2.6
121.10157	6.6
123.08092	2.6
125.09667	9.0
129.07011	7.6
131.08604	14.4
133.10127	9.7
135.08069	2.8
135.11734	4.2
137.09589	2.8
141.06918	2.5
143.08588	6.7
145.06563	2.0
145.10081	11.7
147.08052	2.2
147.11758	6.2
149.09596	2.3
153.09123	5.5
155.01006	2.8
155.08554	3.3
157.10176	8.7
159.08038	3.6
159.11725	6.4
161.13228	3.0
169.10106	3.7
171.11742	7.3
173.09613	2.2
173.13254	5.1
175.14868	3.3
183.11768	4.9
185.13255	4.6
188.92058	1.9
189.11288	2.9
195.11754	2.9
197.13191	2.5
204.87799	1.8
213.16389	3.5
227.12759	2.5
301.25177	12.6
417.31564	2.4
435.32504	7.8
453.33960	13.4
471.34644	15.2
509.36313	5.3
527.37311	100.0
528.37793	2.2
565.24249	3.9
574.87878	2.5
607.33472	3.9
625.26520	6.0
625.36029	12.2
625.44464	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	625.1761
Annotation	Isorhamnetin-3-Galactoside-6''-Rhamnoside
Peak:m/z	Relative Intensity
54.07723	0.4
57.03420	1.9
61.02934	0.7
69.03394	0.8
69.34367	4.5
69.34777	1.0
70.06583	0.9
70.53129	0.5
71.04994	11.9
73.02915	0.6
75.04471	0.7
81.03425	0.7
83.04972	1.2
85.02908	17.7
93.03436	0.7
97.02888	1.8
99.04423	0.6
121.02839	0.9
127.03929	1.2
129.05499	3.9
137.05975	0.9
139.03911	1.2
145.04951	0.8
147.06544	1.2
153.01817	5.4
165.01875	0.7
166.68611	0.5
177.05469	0.9
203.03253	0.5
217.05003	0.6
228.04204	1.1
229.04968	2.2
246.05304	1.2
257.04523	1.7
273.04080	1.0
274.04675	3.3
285.03955	3.4
287.05600	0.9
302.04208	9.1
303.04568	0.6
315.13425	0.7
317.06555	100.0
318.06824	2.7
421.96283	0.5
625.22540	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83567	1.1
57.03431	2.6
61.02915	1.8
65.03932	1.9
68.99776	1.8
69.03429	2.4
69.49639	1.0
71.58196	1.5
73.02888	2.1
73.29598	1.0
81.03423	2.6
85.02909	8.6
91.05486	1.4
93.03433	2.1
95.04964	2.6
97.02897	1.9
103.03948	1.7
107.04995	3.0
109.02880	4.9
115.05453	1.3
121.02885	2.6
123.04385	3.4
127.03905	14.0
131.04962	1.5
134.01283	1.3
135.04401	2.0
137.02364	6.5
139.03900	9.4
149.02370	1.3
149.06003	8.6
151.03899	31.1
151.05109	2.3
153.01822	14.1
159.04420	1.9
161.02321	1.5
175.03938	6.1
177.01772	2.3
177.05502	2.4
179.03384	10.8
183.02782	1.9
183.04352	1.6
187.03854	2.6
189.01797	4.9
189.05493	2.7
191.03392	7.5
195.02844	8.4
199.03969	1.9
201.01837	1.5
201.05516	1.8
203.03441	9.1
205.01297	2.4
205.04863	1.6
207.02866	7.2
215.03310	2.1
217.04958	4.7
219.02884	7.4
221.04407	2.8
227.03346	3.4
229.05000	4.0
231.02937	1.6
233.04347	3.1
241.04985	2.5
243.02811	1.5
245.04436	3.2
247.06015	2.6
255.02917	2.5
257.04382	3.1
261.03821	1.6
263.05579	6.0
267.06119	1.5
273.03918	2.9
275.05402	2.5
281.04575	2.1
281.07993	1.5
282.05347	2.7
283.05826	2.0
284.06732	2.0
285.03995	4.5
287.05441	5.4
289.03436	3.0
294.05157	2.9
295.06055	3.3
296.06760	2.2
297.07587	2.8
298.08258	5.1
303.04922	5.7
308.06772	2.6
309.03979	2.9
309.07587	4.6
310.04684	11.5
310.08218	2.7
311.05490	2.2
311.08981	2.2
312.06210	4.8
313.03714	1.5
313.06885	5.9
321.06607	2.4
322.04733	6.3
322.08362	2.5
323.05444	6.0
323.09131	3.2
324.06320	17.5
324.09946	2.0
325.07040	73.3
326.07715	6.5
327.08594	5.5
331.04465	1.3
334.04721	2.8
334.08350	2.6
335.09119	1.4
336.06232	10.0
337.07019	47.1
337.11118	2.5
338.07846	14.9
339.08640	11.6
340.05698	6.4
341.06464	1.9
343.08255	4.3
347.09085	1.7
348.06229	3.2
349.07181	6.5
350.07886	7.9
351.04837	2.3
351.08636	22.6
352.05685	6.7
352.09488	7.5
353.06360	2.8
353.10165	5.3
355.08105	100.0
362.07864	4.7
363.08786	6.3
364.09534	1.9
365.06448	2.6
365.10223	12.8
366.07236	7.0
367.08096	56.0
367.12674	2.7
368.08569	3.1
375.08560	2.9
376.05502	1.7
376.09723	2.1
377.10294	8.8
378.07031	1.8
379.08038	27.8
379.12613	2.0
380.08887	2.9
381.09756	18.0
383.07446	1.8
385.09250	23.6
387.08670	1.9
390.07184	2.4
391.07977	16.8
391.12289	1.6
392.08679	2.5
393.09637	7.1
395.11420	13.0
397.09219	4.1
403.07993	4.2
405.09549	10.6
409.09152	56.9
410.09479	1.8
415.08047	2.4
417.09851	2.1
419.11697	2.4
421.09262	26.6
423.10776	2.6
429.09427	1.7
431.11389	1.9
433.09180	17.0
439.10388	41.7
440.10687	2.0
445.09433	4.1
447.10596	2.0
451.10269	27.0
452.10458	2.3
457.11365	44.9
463.10266	3.8
469.11307	35.8
475.11050	6.8
481.11234	1.7
487.12363	82.2
488.12512	4.7
493.11057	6.7
499.11441	1.7
505.13327	16.7
511.12405	30.8
517.11365	2.8
523.12152	4.5
529.13300	17.5
535.12158	6.9
541.13416	17.2
553.13409	24.6
559.14264	5.3
571.14545	26.4
589.15509	17.7
607.16498	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	625.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	2.1
65.31485	0.6
68.99767	0.8
70.06601	1.0
70.49856	2.0
71.01334	0.9
71.04990	10.0
73.02909	1.4
75.43810	0.6
83.50508	0.5
85.02901	12.9
95.01319	1.1
95.04967	0.7
97.02936	0.7
104.81916	0.6
109.02930	0.6
111.00784	0.6
129.05466	2.5
131.03378	1.1
136.06192	0.6
137.02347	3.0
137.05969	0.7
140.07042	0.7
141.01880	0.8
153.01831	3.2
163.03940	0.7
165.01842	1.5
183.02843	0.7
201.05499	1.7
215.58237	0.6
229.04939	3.2
257.04480	2.1
285.03870	0.8
287.13730	0.6
303.04987	100.0
304.05298	2.4
306.10818	0.7
315.13467	1.3
479.08130	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1395
Annotation	Luteolin 7-glucoside-3'-glucuronide
Peak:m/z	Relative Intensity
53.18377	0.1
55.01873	0.2
55.78364	0.1
57.03443	0.5
57.82618	0.1
65.03925	0.1
68.99802	0.5
69.03416	0.4
70.06579	0.1
70.55012	0.1
70.55392	0.1
71.01342	1.0
73.02912	1.6
75.04455	0.2
77.59723	0.1
81.03423	0.2
83.01337	0.2
85.02901	5.3
89.02420	0.1
91.53673	0.1
91.71243	0.1
95.01333	0.7
97.02867	0.5
99.00805	0.3
101.02380	0.3
103.03935	0.2
105.03383	0.2
107.04934	0.3
109.02861	0.2
111.00784	0.7
111.04465	0.1
113.02359	1.6
121.02862	2.6
122.03113	0.1
127.03902	0.5
128.39467	0.1
131.03384	1.3
133.02835	0.5
135.04427	0.1
137.02336	0.9
141.01808	0.9
141.07025	0.1
145.04918	0.1
145.06508	0.1
147.04431	0.5
153.01822	3.4
157.06468	0.3
159.02890	0.7
161.05984	0.1
164.46390	0.1
165.01825	1.7
169.06551	0.1
169.13132	0.1
171.03012	0.1
171.04398	0.2
183.02873	0.8
185.05936	0.5
197.06049	0.2
203.07065	0.2
213.05458	1.4
229.04866	0.2
231.06528	0.6
241.04895	0.9
258.05231	1.1
259.06000	0.4
269.04385	0.2
286.04614	0.3
287.05475	100.0
288.05817	2.3
301.07001	1.3
311.05560	0.2
329.06567	0.2
353.06638	0.2
449.10794	4.5
463.08624	0.2
551.35974	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	625.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	1.5
65.14654	1.2
67.05486	1.3
68.99776	6.2
71.04105	4.0
73.36331	1.2
76.06458	1.2
76.38409	1.1
80.41216	1.1
81.03416	4.4
85.02913	2.2
106.88412	1.4
109.02875	4.2
111.00819	6.2
116.98655	1.5
123.04428	13.9
127.03912	100.0
133.02884	2.6
139.03905	22.7
147.04410	7.0
149.02332	6.4
151.03900	22.3
152.80370	1.4
153.01816	32.6
159.04474	1.5
163.03833	3.1
165.01883	2.5
165.14851	1.5
167.03473	2.5
175.03915	12.0
177.01750	1.8
177.05420	3.5
179.03387	41.5
181.01337	4.1
183.02861	1.4
185.06004	1.6
189.05470	2.1
191.03386	2.9
195.03014	1.7
199.03918	3.4
201.05505	1.6
203.03360	14.6
205.01384	7.2
207.02887	2.4
213.05472	2.8
215.03255	3.2
217.04939	4.6
217.45944	1.2
219.02992	1.6
223.02385	4.8
227.03366	2.7
229.04959	1.9
241.05077	1.7
245.04469	13.1
247.02386	2.0
247.05980	1.7
257.04523	1.6
259.02390	3.0
259.05945	1.5
259.38876	1.5
263.05499	22.2
263.08051	2.5
271.02310	2.2
275.05548	5.0
285.03845	4.0
287.05496	22.8
289.03433	12.4
301.03476	5.2
301.54349	1.3
303.04971	3.2
305.06616	5.8
313.03458	5.2
321.06061	5.7
331.04471	10.0
370.83685	1.3
393.05884	1.9
421.05579	7.9
439.06573	18.9
457.07523	5.0
528.30823	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.9
53.27139	2.0
55.01864	2.9
55.05507	8.4
57.07068	3.1
57.52640	2.0
61.02911	2.0
67.05502	2.4
69.03438	10.7
69.07064	19.2
71.58960	2.6
73.02899	2.0
79.05472	2.6
81.03416	8.9
81.07038	17.2
85.02894	22.0
87.00807	7.8
91.05466	7.1
92.08073	2.0
93.07039	7.4
95.04955	2.5
95.08595	12.1
97.02885	9.3
97.06543	2.9
97.10174	14.8
99.04449	4.5
103.05477	22.6
105.01862	9.4
105.07011	4.1
107.08614	5.0
109.02872	6.6
109.05013	1.7
109.06509	2.1
109.10164	7.9
111.11695	6.2
119.04923	6.5
121.10135	5.4
123.11692	8.2
127.03914	15.0
131.04924	100.0
132.05249	3.4
135.07959	2.1
137.05974	6.1
137.13229	2.3
139.11188	12.3
140.49217	1.9
145.04967	6.7
147.04399	2.7
147.11641	2.8
149.13199	2.9
151.07513	5.5
157.12231	12.2
159.02911	5.0
163.07538	59.5
177.05421	2.3
179.07004	6.2
191.07062	3.2
192.02875	1.9
203.12866	5.4
231.04994	2.8
236.95502	1.9
305.24753	18.6
310.79987	1.9
323.25821	26.8
329.14105	2.6
332.47058	1.9
341.13907	3.5
341.26709	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	624.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92551	0.9
53.03946	2.7
53.40255	0.8
55.01865	3.5
59.90059	1.0
61.02909	1.6
61.86169	1.0
69.03420	6.5
70.01772	3.9
73.02931	2.2
79.20407	0.9
81.03424	6.9
85.02901	17.7
87.00832	5.7
91.05480	2.2
94.04206	1.1
97.02890	8.7
99.04494	2.7
101.67097	0.9
103.05490	1.5
105.01903	5.8
105.07048	4.0
109.02875	7.6
109.06549	2.3
111.04450	1.4
112.18878	1.1
115.05458	2.9
122.03652	5.2
127.03921	12.5
129.07008	3.4
131.04955	3.3
133.06514	2.6
137.05972	100.0
143.04922	4.9
145.04964	8.1
146.26778	1.0
147.04373	1.3
147.08148	1.4
149.06021	1.4
151.03920	1.6
151.07535	1.9
153.05415	1.4
157.06496	2.5
159.02908	6.0
159.08026	2.1
160.05186	8.7
161.06018	9.4
163.07549	2.6
172.05225	2.0
175.07542	57.1
187.07524	25.6
189.09149	5.1
190.07753	2.0
191.08560	5.5
191.83955	1.0
199.07550	4.1
202.07945	1.0
203.08586	3.2
205.08597	9.2
211.07513	2.5
217.08569	2.2
218.07143	1.4
218.49084	1.0
219.08128	7.7
220.08908	1.7
231.05083	2.4
231.08060	3.3
233.09425	1.6
235.09578	9.9
247.07562	4.5
248.08432	1.8
251.10629	14.3
261.09219	1.5
263.10748	2.0
264.07855	2.1
270.08887	1.6
271.09717	3.3
279.10156	13.1
280.10980	1.2
291.09995	6.6
292.10944	1.3
311.12769	31.1
323.12750	13.0
325.14279	1.6
341.13898	10.9
383.74945	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
55.01865	2.5
61.02901	2.0
69.03431	6.3
70.90189	3.2
71.04978	1.5
73.02939	1.7
74.08604	1.0
81.03416	7.9
85.02905	17.4
87.00838	9.4
97.02879	8.6
99.04451	3.5
103.05458	2.6
105.01872	5.4
109.02882	13.2
121.11707	1.0
122.03651	3.7
127.03916	11.0
131.04932	13.3
137.05975	100.0
139.32811	1.1
145.04973	4.9
151.07600	1.2
159.02884	3.5
163.07550	7.0
165.05469	1.8
178.06255	1.3
213.03923	1.2
223.09724	2.4
231.04982	2.8
231.08107	3.0
259.07489	2.0
260.08502	1.4
263.10690	5.4
287.05298	1.2
291.10175	7.8
305.11710	2.4
309.11044	1.5
323.12830	9.1
324.68250	1.2
341.13828	39.0
359.14874	26.0
491.49014	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.2
55.01863	1.5
57.03424	1.1
61.02913	1.0
62.02340	0.3
65.03903	0.3
68.99792	0.8
69.03074	0.5
69.03426	6.7
70.01285	1.2
71.04987	1.1
73.02929	1.4
79.05479	0.4
81.03416	7.1
83.01340	0.3
85.02904	15.2
87.00823	6.2
91.05501	0.9
94.04185	1.7
95.05000	0.4
96.43718	0.3
97.02278	0.6
97.02887	8.5
99.04444	3.2
103.05468	4.3
105.01860	5.1
107.04948	1.1
108.04492	0.4
109.02875	8.5
109.03595	0.6
111.04401	0.4
115.03926	0.4
117.01834	0.6
119.04903	0.4
121.06477	0.7
122.03639	4.5
127.02966	0.7
127.03912	13.7
129.01805	0.7
129.07018	0.5
131.04926	12.7
134.06992	0.3
135.04373	0.6
137.05971	100.0
138.06267	0.7
145.04961	4.2
145.06461	0.6
147.04424	0.9
149.05965	2.0
151.03835	0.8
151.07489	1.8
151.29324	0.3
157.06438	0.7
159.02863	3.3
161.05974	1.2
163.07541	6.9
165.05449	2.2
175.07536	1.6
177.05463	1.5
178.06204	0.5
179.07057	1.4
189.09125	1.1
191.06984	1.1
201.09047	0.5
202.07813	0.6
203.06950	0.7
203.08569	1.7
205.08572	0.7
213.03955	0.9
217.08490	0.7
223.09641	2.8
231.05074	2.7
231.07971	2.8
232.08850	0.4
235.09619	0.9
243.21977	0.3
248.08192	1.1
249.06087	0.4
249.09044	0.6
259.07507	1.7
260.08289	0.6
263.10651	4.5
276.07819	1.0
281.11703	0.8
290.09332	0.3
291.10129	8.9
295.13287	1.0
305.11685	2.9
308.10428	0.3
309.11215	1.1
323.12756	10.0
341.13815	46.2
342.14056	0.4
359.14874	25.9
360.15057	0.5
365.13638	0.6
383.14838	1.2
401.16156	0.4
425.16415	0.3
449.15851	0.9
467.16739	1.0
636.64423	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01569	1.3
51.02368	1.7
52.80700	1.4
53.03936	3.6
55.01876	7.4
55.05511	27.1
57.03437	24.1
65.03926	3.7
67.05502	54.6
69.03416	2.9
69.07066	22.8
70.09425	6.8
71.05000	7.1
71.79152	1.2
79.05488	45.2
81.07053	51.8
82.79212	1.5
83.04980	3.7
83.08617	15.2
85.06544	5.7
91.05477	42.2
91.70804	1.3
92.48677	1.4
93.07038	38.8
95.04961	10.5
95.08602	38.6
96.70020	1.3
97.06532	11.1
97.10178	6.5
99.08098	6.4
105.07024	39.4
107.04944	3.9
107.08600	22.6
108.47036	1.3
109.06506	22.0
109.10143	14.9
111.08070	6.3
113.09640	2.5
115.05444	4.2
117.07005	20.6
119.08569	25.5
121.06523	3.5
121.10138	14.6
123.08069	4.9
123.11697	3.2
125.09639	5.5
128.06229	6.9
129.06999	21.5
130.07809	2.6
131.08563	30.1
133.10114	17.7
135.08061	5.3
135.11696	7.9
136.52150	1.4
137.09627	3.1
141.06993	15.7
142.07785	5.2
143.08546	23.7
145.06549	2.4
145.10115	25.1
145.11145	1.2
146.10786	1.3
147.11682	9.7
149.09586	6.6
149.13274	4.1
151.11130	1.9
153.06970	5.5
154.07755	6.5
155.08537	25.5
156.09343	4.1
157.06552	1.6
157.10112	24.3
159.08066	3.3
159.11687	18.7
161.09630	4.7
161.13283	4.4
163.11194	2.3
165.06950	7.0
166.07785	4.5
167.08548	16.7
168.09352	5.9
169.10126	25.1
170.10966	2.1
171.11664	18.6
173.09669	3.7
173.12022	1.9
173.13257	9.1
175.11111	4.2
175.14824	2.4
177.12776	1.8
178.07802	2.1
179.08546	9.2
180.09306	4.0
181.10103	23.8
182.10901	3.4
183.11664	24.9
185.09686	3.3
185.13254	15.0
187.11212	2.5
187.14784	3.0
189.12723	3.0
191.08580	2.0
191.14372	1.9
192.09381	3.2
193.10155	13.1
194.10886	3.0
195.08067	1.5
195.11708	19.4
196.12268	2.2
197.13194	14.6
199.11272	2.3
199.14853	5.0
201.12772	2.9
201.16403	1.8
203.14301	3.4
204.09386	1.6
205.10167	5.6
205.15956	2.2
206.11003	2.0
207.11688	12.4
208.12454	2.5
208.46225	1.4
209.13248	17.9
211.11261	2.9
211.14787	7.6
213.12839	1.9
213.16469	3.7
215.14476	2.3
217.10074	1.4
217.15982	1.6
219.11699	5.2
221.13274	10.4
222.13918	2.4
223.11354	2.1
223.14845	12.8
225.12746	2.1
225.16338	3.4
227.18182	1.6
232.12639	1.8
233.13139	7.9
235.14809	8.6
237.16386	5.3
237.18500	1.7
239.17923	6.7
241.15826	1.6
245.13190	2.8
247.14958	3.1
249.16423	5.0
250.97908	1.4
251.17960	3.4
253.15869	2.9
255.17429	4.1
257.19040	7.1
259.14862	2.2
259.20514	2.4
261.16449	3.3
263.18039	3.5
265.19589	2.9
266.69568	1.6
273.18576	5.1
275.20123	8.4
277.19458	2.3
279.17401	2.8
289.19458	1.8
291.21017	2.1
293.18851	2.2
295.20322	2.6
307.20547	2.3
309.22202	3.2
311.20108	1.9
319.20474	3.1
331.22940	2.1
335.23669	2.7
337.21622	2.5
339.23254	2.4
347.23715	3.1
349.24631	2.3
351.23016	2.1
359.23746	2.1
361.25180	4.1
375.27191	2.6
379.26236	2.8
389.24460	1.7
391.25964	2.2
393.27808	2.1
407.29031	1.8
441.31461	2.1
459.32904	8.6
477.33563	4.3
495.35397	3.2
497.33054	1.9
509.35480	1.5
513.37488	9.1
527.36993	2.6
531.38416	12.7
533.36188	2.0
535.34967	1.9
537.35999	4.6
539.37219	2.2
549.39606	8.5
551.37341	22.1
565.38776	3.2
567.40002	1.8
605.41937	26.9
623.42993	100.0
624.43591	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	624.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.2
53.32497	0.6
55.01864	2.6
56.56952	0.6
60.95670	0.7
61.02921	1.1
65.49036	0.7
65.95434	0.7
68.99760	0.8
69.03421	7.8
70.63000	2.2
71.04992	1.0
73.02919	1.4
79.05484	1.0
81.03419	7.0
81.07037	0.8
84.20205	0.7
85.02427	1.2
85.02907	16.5
86.34985	0.9
86.88428	0.7
87.00819	5.5
88.97726	0.7
91.05476	4.3
93.06999	1.2
94.04169	2.5
95.04955	0.8
97.02895	6.1
99.04447	3.0
103.05470	2.0
105.01862	5.0
105.07043	5.1
107.04922	1.7
109.02863	7.5
109.06502	1.8
111.43256	0.7
115.05443	2.4
116.90965	0.7
117.01831	1.0
117.07012	2.2
119.04946	1.3
119.08562	2.1
121.06506	1.7
122.03631	6.9
126.05602	0.6
127.03922	13.9
128.06200	1.7
129.01875	1.0
129.07013	1.9
131.04933	1.5
132.05716	1.1
133.06480	3.9
135.38974	0.7
137.05971	100.0
143.04910	0.9
145.04942	6.2
145.06471	1.8
146.03586	0.9
147.02820	0.8
147.04407	1.3
147.08005	2.1
149.05984	3.1
151.03825	1.1
151.07545	1.4
155.04974	1.1
159.02962	3.9
159.08081	2.5
160.05220	1.5
161.05969	17.0
162.06717	2.1
163.07532	1.5
165.07126	0.8
175.07544	23.2
175.09019	1.2
178.07861	0.8
185.06125	0.9
187.07553	9.7
189.03908	1.1
189.05399	1.0
189.06912	0.8
190.07811	2.6
191.06984	1.0
191.08548	8.1
193.08609	2.0
199.07550	3.6
202.07834	1.7
203.06850	1.0
203.08565	2.5
205.08575	1.4
208.08806	1.3
213.03873	0.7
217.08542	0.8
218.07306	2.4
219.08047	11.9
220.08809	1.3
231.04939	2.3
231.08038	3.2
233.09537	0.9
235.07533	1.8
236.08356	2.7
247.07462	6.2
248.08336	2.5
251.10660	20.6
252.11154	0.9
259.07550	1.9
260.08344	1.3
261.09097	1.3
263.10550	1.7
264.07779	1.9
265.08569	1.2
276.07730	1.2
277.08542	1.6
279.10156	15.5
280.10858	1.7
291.10062	5.8
292.10999	1.1
296.10461	0.9
303.10190	2.2
309.11249	1.6
311.12772	45.8
312.13016	1.8
317.06714	1.0
321.11475	1.0
323.12756	14.3
329.13760	1.3
333.11029	1.7
335.12485	3.4
341.14056	3.8
347.12604	0.8
353.13901	2.1
365.13782	0.9
373.14453	0.9
377.14017	1.6
386.61023	0.7
401.13699	2.3
419.15002	1.4
497.17728	0.9
505.14951	0.9
523.15948	1.8
541.16772	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.4
55.01871	24.8
55.05514	23.4
57.03428	5.9
59.04988	3.0
63.77110	2.5
67.05507	52.8
67.27654	3.1
69.03444	3.5
69.07074	34.1
69.40569	22.0
71.04998	3.7
79.05491	50.4
81.03416	19.5
81.07058	53.6
83.04980	10.8
83.08620	10.4
91.05473	53.0
93.07038	38.4
95.01311	9.6
95.04974	15.2
95.08607	37.8
97.06531	39.4
97.10182	8.4
98.21571	5.3
103.05473	4.2
105.07040	58.7
107.04954	19.1
107.08591	28.0
109.06524	6.0
109.10175	12.7
115.05453	3.4
117.07026	20.8
119.08585	35.8
121.06498	5.8
121.10166	14.6
123.08096	4.7
123.11670	3.4
125.09641	8.3
128.06223	5.4
129.07008	10.0
131.08527	23.1
133.10124	35.6
135.08069	7.1
135.11728	9.3
137.09677	4.2
139.07587	3.8
141.07022	3.3
143.08582	10.6
145.06548	3.7
145.10168	19.4
147.11658	16.3
149.09631	10.5
155.08569	6.7
157.10100	10.2
159.08032	3.7
159.11719	12.2
161.06023	5.7
161.09702	3.4
161.13274	8.7
163.11180	10.5
167.08661	3.4
169.10193	8.3
171.11716	5.8
173.13321	7.1
175.11200	3.4
177.12720	4.0
179.14349	12.0
181.10205	3.9
183.11681	6.1
185.13263	3.7
187.11359	4.4
189.11258	3.2
197.13307	5.8
201.12747	3.4
235.14804	4.2
257.19098	10.1
275.20065	70.7
293.21078	7.2
393.20886	3.1
403.19174	4.4
419.22437	4.2
431.18356	4.9
443.18652	4.4
445.20380	9.8
446.21240	7.2
447.21600	5.3
449.23318	3.4
454.43051	3.2
459.21848	6.1
476.22220	4.9
477.22836	7.9
511.37753	3.6
525.35864	6.3
533.25446	13.2
563.26776	17.6
564.27838	3.6
593.27747	7.5
605.41675	5.8
623.28650	100.0
623.43518	34.8
624.28656	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	623.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70207	1.6
53.03940	7.5
55.01871	13.0
55.05509	28.9
57.03436	22.2
57.07076	3.4
65.03941	8.8
67.05502	98.6
69.03410	8.3
69.07065	18.7
71.04977	7.6
71.59081	2.6
79.05491	71.2
79.05955	4.1
81.03422	23.1
81.07054	78.9
83.04988	11.2
83.05394	1.6
83.08619	17.7
85.02910	3.1
85.06538	15.9
91.05479	78.0
93.07038	62.7
95.01340	4.4
95.04964	74.5
95.08605	46.5
97.02898	4.2
97.06530	14.9
97.10180	6.2
99.08070	3.1
105.07027	71.5
107.04964	17.4
107.08597	35.1
109.06512	58.6
109.07255	3.1
109.10157	16.0
111.08067	6.2
113.05994	34.3
115.05479	7.6
117.07011	36.2
119.08582	43.1
121.06531	10.8
121.10132	17.5
123.04414	3.5
123.08084	11.1
123.11670	3.1
125.05986	1.8
125.09641	4.4
127.03950	2.4
128.06216	9.7
129.06990	22.7
130.07808	2.9
131.04955	2.2
131.08568	43.4
131.09523	2.9
133.06512	9.0
133.10126	31.9
135.08047	25.1
135.11678	20.2
137.06007	2.1
137.09639	4.9
138.33315	1.9
139.11182	2.0
141.07021	6.7
142.07790	7.7
143.08551	24.3
144.09372	2.4
145.06511	7.0
145.10120	35.8
147.08058	7.1
147.11685	22.7
149.09671	9.8
149.13281	7.4
153.06961	1.6
155.08615	10.2
157.10124	24.4
159.08089	5.2
159.11685	30.3
161.09660	8.4
161.13211	9.9
163.11186	8.8
165.06955	2.0
165.12738	2.4
167.08496	8.3
169.10159	12.2
171.08098	2.3
171.11676	17.8
173.09663	3.3
173.13292	14.3
175.11174	5.7
175.14856	3.8
177.12729	8.4
179.14359	4.2
181.10139	9.0
183.11676	10.9
185.09625	4.7
185.13245	8.3
187.11214	7.0
187.14839	7.6
189.12805	2.5
193.10136	3.3
193.12369	2.2
195.11742	8.3
195.13753	3.9
197.13213	8.7
199.11203	3.4
199.14864	7.4
201.12877	1.9
201.16382	3.3
203.14392	2.0
207.11766	3.7
209.13367	7.4
211.11430	2.1
211.14915	5.6
213.16444	3.6
215.14243	2.3
215.17946	2.8
217.15944	6.5
221.13293	5.5
223.14954	3.5
225.12762	2.3
225.16473	2.3
227.17986	3.7
229.19478	3.1
233.15459	2.6
235.14813	2.5
237.16431	4.9
239.17995	3.9
241.14284	3.0
241.19637	5.9
245.19016	2.9
249.16473	2.3
251.17946	1.9
255.17680	3.6
257.18994	5.4
259.20502	9.4
263.17914	2.7
265.19534	2.2
269.44229	1.8
271.17123	2.4
271.20587	2.2
273.18494	30.6
275.20078	12.3
279.16022	7.6
281.17499	2.3
291.19519	35.6
309.22052	1.8
315.23157	6.0
319.73911	2.1
322.11740	2.6
325.25354	2.6
327.26831	4.3
331.22839	2.0
333.24463	5.9
341.24954	2.3
347.22028	8.6
365.23932	2.2
403.29968	2.0
431.51462	2.3
461.29004	4.1
503.38736	3.0
513.37122	5.1
531.38300	5.5
549.39526	6.5
551.37360	3.5
565.39014	2.9
567.40332	3.4
605.41937	20.1
623.43036	100.0
624.43170	5.1
652.61035	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66193	1.8
53.03944	8.6
55.01874	9.8
55.05508	28.7
57.03436	21.8
57.07068	4.8
65.03941	8.8
67.05504	100.0
69.03430	4.6
69.07069	26.3
70.34698	2.1
70.84533	4.6
71.05002	3.8
71.53900	2.0
72.85851	2.3
79.05492	59.8
81.03413	25.8
81.07056	65.3
83.05003	8.7
83.08611	11.9
85.02921	2.0
85.06530	12.4
91.04907	3.3
91.05478	73.3
93.07042	55.2
95.04965	75.6
95.08606	44.3
97.06535	13.9
97.10171	5.2
100.31583	2.4
103.05481	3.4
105.07029	70.0
107.04958	19.9
107.08587	27.8
109.02883	2.3
109.06522	53.8
109.10165	12.2
111.08078	5.8
113.06001	26.9
115.05484	7.1
116.06273	2.9
117.07014	35.0
119.04957	2.6
119.08591	44.7
121.06522	8.5
121.10130	16.3
121.79655	2.3
123.08070	7.2
125.09627	3.5
128.06236	6.4
129.06987	20.7
130.07852	2.8
131.08565	44.1
133.06517	6.7
133.10120	30.0
135.08032	24.1
135.11705	13.3
141.07007	9.0
142.07806	5.2
143.08551	22.2
144.09375	2.2
145.06552	6.9
145.10121	30.7
147.08072	9.1
147.11678	22.3
149.09610	10.3
149.13255	5.6
153.06996	2.3
154.07809	2.7
155.08592	9.5
157.06468	2.4
157.10117	20.4
159.08109	7.1
159.11684	20.8
160.05345	2.4
161.06076	3.1
161.09605	12.1
161.13272	10.8
163.11217	8.0
167.08600	5.6
169.10143	13.7
171.08034	2.3
171.11658	15.1
173.06047	2.8
173.09628	4.3
173.13281	14.2
175.11253	5.6
177.12738	4.6
179.08601	2.7
179.14272	3.9
181.10150	6.9
183.10092	1.8
183.11583	10.7
185.09680	4.6
185.13284	9.1
187.11230	6.4
187.14891	4.7
189.12791	2.4
192.09459	2.0
193.10213	5.1
193.12195	2.2
195.11749	6.9
197.13310	7.6
199.11261	2.5
199.14917	4.9
201.16563	3.4
206.10704	2.2
207.11780	3.8
209.13292	5.2
211.11217	4.0
211.14926	4.6
213.16391	2.8
215.14342	2.9
217.15952	8.8
221.13284	2.7
223.14900	7.3
225.16534	3.2
227.18007	2.7
229.19664	2.6
233.15450	2.7
237.16493	4.9
239.17998	2.6
241.14326	2.4
241.19571	5.0
255.17499	5.3
257.19162	7.7
259.20648	9.7
271.20529	2.9
273.18546	30.1
275.20071	14.8
279.16104	9.1
283.20654	2.9
291.19531	36.7
291.22382	2.5
315.23334	3.8
327.26892	6.0
331.22833	2.2
333.24341	7.2
347.22260	11.6
349.24509	2.4
375.24026	2.3
409.04889	2.4
482.10370	2.9
513.37292	6.4
523.15381	2.2
531.38580	5.4
549.39600	3.5
551.37268	3.0
567.40338	3.0
587.40820	3.4
595.43866	2.8
603.28760	2.6
605.41852	19.5
623.43097	98.6
624.43414	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.0
55.01870	8.1
55.05264	3.2
55.05511	41.4
55.14138	1.6
57.03425	5.4
57.07065	2.3
59.05016	2.5
63.83133	2.0
65.03963	2.6
67.05507	55.1
69.03428	5.7
69.07070	22.4
71.04975	3.4
71.33060	3.9
79.05059	3.4
79.05492	44.4
81.03434	13.1
81.03830	2.7
81.07056	43.0
83.04975	7.4
83.08624	19.1
85.06534	2.9
91.05482	40.0
93.07043	40.1
95.04973	11.0
95.08604	33.9
97.06522	3.7
97.10177	26.5
98.97579	1.7
105.07034	35.0
105.07697	3.3
107.04973	4.7
107.08598	23.4
107.16065	2.0
109.06535	3.3
109.10159	14.3
111.08089	2.5
115.05457	4.6
115.85452	1.6
117.07030	16.8
119.08582	25.0
121.06548	2.9
121.10176	7.4
123.08080	3.0
123.11737	2.1
125.09643	17.3
128.06230	5.5
129.07004	16.6
131.08551	25.6
133.06511	3.6
133.10129	17.2
135.08052	5.5
135.11708	6.9
137.09581	2.0
141.07010	9.7
142.07835	4.0
143.08575	18.2
145.06522	2.7
145.10114	18.6
147.11670	10.4
149.09642	3.1
149.13269	2.9
153.07031	3.3
154.07729	2.3
155.08559	19.6
157.10130	16.6
159.08138	2.4
159.11687	16.2
160.05249	2.4
161.06021	2.3
161.09607	4.3
161.13344	5.0
163.11185	2.3
166.07823	2.4
167.08566	8.9
168.09354	2.3
169.10126	20.1
171.10349	3.3
171.11679	14.6
173.09659	3.1
173.11864	2.1
173.13268	7.0
175.11232	2.8
175.14853	2.8
179.08635	2.3
180.09325	3.6
181.10176	8.3
182.10924	2.3
183.11729	15.1
185.09700	2.2
185.13278	9.7
187.11205	3.3
187.14915	3.2
189.11130	9.8
191.66595	1.6
193.10251	4.7
194.10968	2.7
195.11690	9.0
197.13245	13.8
199.14873	5.0
201.12651	1.7
205.10182	2.6
207.11761	5.2
209.13257	9.7
211.11380	2.1
211.14938	8.5
213.16423	3.3
221.13283	6.0
223.13170	3.8
223.14961	5.0
225.12723	2.8
225.16422	4.3
227.12794	7.3
233.13429	3.2
235.14893	4.4
237.16411	5.7
239.14116	3.3
239.18044	3.8
241.15996	2.4
241.19586	3.5
247.14828	1.9
251.14479	2.0
257.19238	3.2
259.20755	4.4
271.13293	2.7
273.18619	4.1
275.20200	3.7
291.19577	17.7
297.22101	2.2
299.20355	3.3
299.23669	2.5
315.23251	2.1
327.22821	1.9
363.26959	4.8
377.28494	2.3
379.30157	8.5
451.32245	2.2
489.33548	2.0
513.37415	4.2
525.35980	5.7
531.38568	5.3
549.39697	6.4
554.36041	3.9
567.40375	3.0
605.42041	20.2
623.43066	100.0
624.44012	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	623.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28935	1.4
53.03924	1.4
54.70564	1.4
55.01855	5.2
55.05501	8.6
56.96562	24.6
57.03404	2.0
65.03933	2.1
66.72891	1.3
67.05502	17.4
67.91230	1.3
69.03399	1.4
69.07036	6.1
71.59157	2.0
71.95254	2.5
72.41177	1.4
79.05491	30.8
81.03391	4.4
81.06666	1.2
81.07054	15.3
83.04930	2.1
83.08581	2.9
83.50379	1.4
91.05484	14.3
93.07042	11.1
95.04938	5.8
95.08614	8.5
97.02866	1.7
97.06506	6.0
99.08085	1.6
105.07018	14.7
107.04922	3.9
107.08600	12.5
109.06457	3.8
109.10117	5.3
117.06992	5.3
119.08595	8.4
121.01677	1.5
121.06459	1.6
121.10089	5.3
128.98557	3.0
129.06944	3.6
131.08566	7.3
133.10143	9.5
134.99667	1.6
135.11652	3.1
136.04692	1.3
141.06981	1.7
142.86586	1.5
143.08495	4.9
145.10112	6.9
146.99655	7.9
147.03210	1.6
147.11595	4.4
149.02264	4.2
149.09552	3.6
149.13225	1.8
150.02646	2.3
151.02652	1.5
155.03725	1.7
157.10075	3.4
159.11674	4.8
163.11224	1.8
165.00746	2.4
171.03271	3.2
171.11609	2.0
173.04813	3.9
173.13210	3.2
179.14156	1.8
181.10037	1.4
183.11661	2.6
185.04767	2.0
185.13181	1.7
187.02711	1.8
189.04283	4.4
191.05830	2.9
193.12230	1.6
197.13191	1.7
199.06355	3.9
201.08040	1.6
203.05835	4.9
211.13170	1.9
217.07407	6.0
223.06618	1.6
225.04240	4.7
225.07817	2.1
243.09044	9.4
247.08475	2.5
255.08850	2.2
257.19000	3.9
261.10117	9.9
261.90771	1.4
273.09930	2.0
275.20010	16.5
281.10471	2.8
299.11591	2.0
314.60178	1.4
331.15802	67.8
349.16864	100.0
350.16876	1.4
367.17899	13.5
372.18411	23.0
390.19287	2.7
461.29022	2.1
518.23346	1.7
525.35706	2.0
531.37933	2.4
579.13660	1.7
580.53326	1.7
605.41589	4.1
623.15692	3.8
623.35425	70.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	11.4
55.01860	8.5
55.05262	2.7
55.05509	33.8
57.03425	13.7
59.04997	2.3
61.56009	1.9
64.74164	2.0
65.03926	4.5
67.05504	66.3
69.03427	22.8
69.07068	20.5
71.01344	3.8
71.04977	10.0
79.05492	54.3
81.03422	100.0
81.03912	5.0
81.07059	85.2
83.04980	22.7
83.08617	24.9
85.02917	22.5
85.06527	3.3
91.05482	54.4
93.06473	3.4
93.07045	53.1
93.44456	1.9
95.04969	29.5
95.08615	27.8
97.02895	18.3
97.06545	11.2
97.10162	9.3
98.20792	5.9
99.04464	4.5
99.08097	2.8
105.07043	34.2
107.04957	11.9
107.08596	29.7
109.02865	19.3
109.06514	9.0
109.10153	6.5
111.04456	11.4
111.08095	11.1
113.05931	2.6
114.41966	2.0
117.07025	16.2
119.08572	27.1
121.06498	10.2
121.10126	17.4
123.04453	3.5
123.08056	5.2
123.11696	5.6
125.09613	8.9
127.03928	11.4
128.06204	4.3
129.06992	15.4
131.04956	4.1
131.08566	28.9
133.06487	7.8
133.10130	16.9
135.08041	5.9
135.11678	8.9
137.05998	2.9
137.09599	2.8
141.06941	3.9
142.07784	3.5
143.08569	8.1
145.06480	6.5
145.10095	12.0
147.04375	2.3
147.08078	5.2
147.11668	19.9
149.09613	8.5
149.13214	10.7
155.08527	5.1
157.10182	13.6
159.11639	10.7
163.11180	4.4
165.12726	6.5
167.08612	4.6
169.10098	4.4
173.04530	3.2
173.09526	2.7
173.13181	3.2
175.11151	11.9
177.12752	3.5
181.10095	3.4
183.11682	4.0
185.13210	2.3
189.11134	5.1
193.12234	36.1
195.13797	11.9
197.13310	3.1
205.12025	2.5
211.13281	43.0
217.15944	3.0
219.13780	3.0
222.67908	2.4
227.12778	5.1
249.14853	2.5
267.15997	15.1
269.17484	8.7
273.14862	3.4
285.17047	4.5
303.15976	4.1
304.60062	2.4
321.17087	2.6
339.18073	5.5
355.17657	5.9
369.24173	5.6
387.25531	2.7
395.20441	4.2
443.27716	8.0
461.28995	30.2
479.30136	12.6
525.35376	6.1
605.32941	9.5
623.34137	65.8
623.43781	2.2
646.27344	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	623.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	12.7
55.01869	8.0
55.05512	27.8
57.03424	10.3
61.02921	6.0
65.03941	4.3
67.05505	63.6
69.03430	21.2
69.07064	15.4
70.72076	11.2
70.88146	2.7
71.04986	10.7
71.45802	2.9
79.05500	53.4
81.03416	100.0
81.07055	86.0
83.04983	23.1
83.08620	28.8
84.83778	3.0
85.02912	22.6
85.06525	3.5
91.05480	44.8
93.07047	60.1
95.04974	26.5
95.08604	27.3
97.02888	22.9
97.06512	11.5
97.10168	6.7
99.04454	7.2
105.07028	29.8
107.04949	11.3
107.08591	30.9
109.02874	21.8
109.06496	7.2
109.10149	7.7
111.04445	13.9
111.08086	11.2
117.07028	12.7
119.08602	22.4
121.06525	7.6
121.10162	17.8
123.08086	5.5
125.09621	4.6
127.03907	11.6
129.05472	3.3
129.06984	13.0
131.08600	17.1
133.06476	5.7
133.10120	11.9
135.08032	5.5
135.11658	9.3
137.09621	3.5
141.15807	2.9
143.08493	4.9
145.06436	3.9
145.10033	7.3
147.11684	15.8
149.09613	6.7
149.13252	19.8
153.12721	3.7
157.10153	10.4
159.11722	9.9
163.11116	5.4
165.12756	7.1
167.24527	3.3
175.11226	9.4
177.12769	4.4
189.11165	3.4
193.12238	31.5
194.12450	3.4
195.11818	3.2
195.13818	8.8
211.13300	50.4
215.86623	2.9
227.12694	7.6
249.14868	3.5
267.15906	9.7
269.17471	8.6
269.40851	3.0
277.14404	3.0
285.17084	3.6
339.18134	6.2
355.17496	13.6
369.24283	5.8
374.44626	3.1
387.25400	5.0
395.20395	4.3
411.20142	4.6
443.27679	6.4
461.28940	29.4
479.30124	13.3
605.33875	7.0
623.34253	76.6
624.33997	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.8
55.01871	5.1
55.05509	21.6
57.03432	9.5
61.02927	32.6
62.39991	3.3
64.92927	2.3
67.05504	45.0
69.03429	10.4
69.07065	15.2
70.85084	3.3
70.85415	6.2
71.05021	2.7
73.02921	11.6
79.05501	42.6
81.03413	13.1
81.07056	41.7
83.04957	4.2
83.08599	14.1
85.02901	22.6
91.03941	8.3
91.05486	48.1
91.42421	2.6
92.05824	2.6
93.07050	30.6
95.04984	13.1
95.08609	24.9
97.02895	15.8
97.06514	6.4
97.10165	5.3
105.07021	36.5
107.04977	9.6
107.08609	19.3
109.02880	3.3
109.06522	9.0
109.10131	8.8
111.08052	4.2
115.05457	7.3
117.07021	26.7
119.08600	19.7
121.06516	7.3
121.10146	9.6
125.09644	3.9
125.46098	2.3
127.03928	5.8
128.06227	9.0
129.07002	34.8
131.04936	2.8
131.08568	42.5
131.18121	2.6
133.06528	5.8
133.10147	9.2
135.08026	5.9
135.11732	4.5
140.90044	2.6
141.07002	18.8
143.08553	28.7
145.04907	2.8
145.06483	7.9
145.10146	15.1
147.08080	5.1
147.11700	6.9
149.09590	6.7
153.06940	3.8
154.07716	3.0
155.08554	30.3
157.06516	2.5
157.10089	12.1
159.08076	7.9
159.11717	12.5
161.09657	4.6
163.11188	3.7
165.06944	3.6
167.08516	12.6
169.10129	20.2
171.11693	10.2
173.09601	5.0
173.13197	3.2
175.11188	5.6
177.12830	4.6
179.08591	6.2
181.10150	12.4
183.11694	9.1
185.13263	7.8
187.11206	3.7
187.14833	2.6
189.12682	4.1
193.10178	6.6
195.11745	11.7
197.13216	4.9
199.11230	4.2
201.12743	3.4
207.11658	5.2
208.12511	3.3
209.13269	9.2
211.14934	3.7
213.12761	3.0
215.14418	11.9
217.16100	2.7
221.13301	9.6
223.14798	8.4
225.12752	4.7
225.16473	4.2
229.42650	2.4
235.14786	5.7
239.14281	5.5
241.15947	4.2
249.16519	3.8
253.15967	3.5
257.15384	6.8
271.17017	6.6
285.18457	3.4
305.22650	3.0
315.21027	3.3
323.23621	5.5
333.22067	15.9
341.24731	11.1
351.23187	53.0
369.24210	42.7
370.25049	3.8
387.25296	22.2
405.26428	2.5
425.26929	8.5
433.29468	3.3
443.27945	100.0
444.28256	3.2
461.28949	57.8
462.28882	3.3
623.34186	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40713	3.1
67.05509	4.8
69.86573	19.0
88.79228	2.9
98.20753	5.7
110.25991	2.9
140.57323	2.8
140.76465	3.3
141.56291	2.8
330.50818	3.2
433.20209	4.2
447.21582	4.2
458.20685	6.1
459.21686	5.5
460.22263	4.1
518.23193	5.6
533.25500	8.6
563.26794	3.9
605.27417	12.9
623.28638	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74412	1.6
53.03940	3.3
55.01865	12.2
55.05513	10.1
57.03444	1.9
65.02000	1.4
65.03928	2.1
67.05167	2.4
67.05502	25.5
69.03457	1.4
69.07066	14.2
71.05001	2.4
71.59350	2.1
75.20601	1.4
79.05489	21.9
81.03415	14.7
81.07052	27.6
83.04973	4.4
83.08619	5.5
91.05479	27.9
93.07045	18.8
95.01330	4.6
95.04955	7.5
95.08605	16.2
97.06536	17.9
97.10180	3.4
101.29688	1.4
103.05513	2.1
105.07024	27.2
105.07690	2.2
107.04951	9.6
107.08597	14.5
109.06506	3.5
109.10156	6.9
115.05458	3.4
117.07011	9.5
119.08575	16.2
121.06485	2.5
121.10149	4.7
123.08104	1.4
125.09632	3.4
128.06219	1.9
129.06984	6.4
131.08551	12.0
133.10106	13.0
135.08086	1.8
135.11703	3.7
141.07018	2.6
143.08594	4.2
145.06554	1.4
145.10106	7.6
147.08029	1.5
147.11707	6.0
149.09630	3.5
149.13211	1.7
154.07849	1.3
155.08585	4.1
157.10136	3.2
159.07950	1.4
159.11748	4.5
160.05193	2.1
161.06071	3.2
161.13271	2.9
163.11201	3.2
165.09084	1.9
167.08501	1.4
169.10100	3.8
171.11734	4.8
173.06050	3.2
173.13243	2.0
175.11168	1.6
179.14337	5.1
181.10165	2.3
185.13367	2.2
187.11252	1.9
197.09634	1.7
197.13312	1.7
205.12337	1.6
207.11792	1.6
209.13371	1.4
220.27583	1.3
221.13313	1.8
223.14958	1.4
229.19548	1.5
239.17940	1.9
241.19516	1.7
247.20624	1.5
257.19101	5.3
271.13437	2.9
275.20050	25.8
291.19501	1.6
293.21182	1.4
349.23984	2.0
403.19446	1.7
405.20764	2.0
417.21133	2.2
419.22485	3.5
431.18219	3.0
432.19519	2.6
433.20544	2.2
443.18710	2.7
444.19177	1.7
445.20367	7.6
446.21149	4.6
447.21793	5.0
449.23798	2.5
459.21765	2.0
462.20276	1.8
463.21329	2.3
476.22018	4.9
477.23016	5.9
533.25409	16.0
563.26416	15.4
584.86127	1.5
593.27386	2.8
605.42517	2.9
623.28662	100.0
623.43524	15.5
624.28766	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.1
58.60125	0.6
67.05505	3.2
69.07054	1.0
78.71508	0.6
79.05486	2.0
81.07060	2.0
91.05477	2.4
93.07041	2.0
95.04956	0.9
95.08643	1.4
95.16206	0.6
97.06538	1.1
105.07018	1.9
107.08585	1.4
109.06499	0.8
117.07025	1.3
119.08604	2.4
121.10196	0.8
122.10244	0.6
129.07040	0.7
131.08578	1.5
131.43840	0.6
133.10210	0.6
134.54243	0.5
145.06453	1.1
145.10141	0.9
149.09746	0.6
151.11180	0.6
155.08569	0.8
157.10168	1.0
186.42625	0.6
229.78278	0.6
271.17035	1.2
289.17944	0.8
301.15417	0.8
375.16049	0.9
389.17401	4.1
390.18436	1.6
391.19128	3.7
392.19656	0.6
401.17813	1.1
403.19583	3.3
404.19971	1.6
405.20782	9.0
406.21326	1.1
417.16479	6.4
418.17810	2.6
419.18494	4.7
431.18143	5.7
432.19275	7.8
433.20132	10.2
434.21011	0.8
445.20422	3.2
446.21011	1.7
449.23868	1.1
459.21893	1.7
461.19302	1.2
462.20529	1.4
463.21317	2.0
475.21158	1.5
476.21732	4.8
477.23737	4.8
478.23468	0.8
487.21161	0.9
489.23569	0.9
491.24426	2.0
519.23932	22.9
520.24744	0.7
521.22272	1.0
535.23932	0.9
563.26544	17.6
579.26044	4.6
605.42444	0.9
623.28607	100.0
624.29388	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	623.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39778	1.0
70.75862	3.3
99.71567	1.0
143.89560	1.2
146.63718	1.1
161.00471	1.1
377.17505	2.3
390.18774	2.1
391.19238	4.2
392.19940	4.0
393.20657	2.3
399.16248	1.9
400.16904	1.8
401.17621	2.6
403.19778	2.4
404.20215	2.5
405.20929	5.5
406.21497	4.8
407.22244	15.0
413.17780	3.0
414.18481	4.9
415.19464	5.6
419.22885	2.2
420.23154	2.5
421.23846	14.4
422.24600	2.5
427.19397	3.5
428.20132	4.9
429.20938	14.7
430.21628	3.1
431.18463	1.4
433.24515	2.6
435.25668	1.2
442.21710	1.6
443.22400	11.0
444.23398	5.8
447.17838	2.1
456.19641	1.5
457.24860	5.7
458.25006	8.3
459.21698	6.5
460.22821	2.0
461.18875	6.2
462.20276	2.5
471.21964	3.3
472.22614	7.8
473.23566	2.4
475.21182	8.3
476.21368	6.2
477.22775	3.9
484.18527	1.4
485.23590	16.1
486.24277	4.7
487.20859	1.8
488.22238	1.8
489.22800	5.9
499.20947	5.6
500.21970	2.0
502.23752	1.4
503.24533	8.4
513.22943	4.4
514.24048	2.9
517.25928	10.0
531.23926	1.7
535.26935	6.0
545.25458	95.4
546.26215	2.4
564.27258	2.3
573.24939	20.6
591.26257	2.7
605.27570	100.0
606.27802	2.0
623.28632	83.7
624.28680	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41142	4.1
60.04993	4.8
65.66064	4.0
71.59219	6.1
88.33469	4.9
99.30944	4.7
132.50827	5.0
134.78409	4.8
164.53983	4.2
301.22644	4.6
421.77469	5.1
433.20691	6.8
435.21750	9.9
449.23145	7.3
463.21146	8.8
476.21841	5.9
477.23022	6.9
563.26477	15.0
623.28516	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
62.00854	1.0
65.79243	0.9
71.59527	1.0
71.60007	1.8
76.07355	1.0
103.49665	1.0
104.97714	1.0
105.79010	1.1
110.13561	1.0
157.10344	1.1
164.54756	1.1
172.87979	1.1
391.19098	1.4
405.20764	3.6
419.18546	1.6
429.21228	1.7
433.20297	2.7
447.17743	8.9
448.22836	2.3
449.23361	3.6
459.22104	3.5
460.22278	1.5
461.19647	7.2
463.21414	1.5
472.22058	2.1
473.23392	2.1
475.21286	2.5
476.22076	25.1
477.22800	4.7
485.23410	2.6
487.24835	3.8
489.19513	1.8
503.24612	2.6
518.23260	1.4
519.23749	3.0
531.24072	1.8
545.25500	15.3
563.26654	8.9
605.27643	2.2
623.28583	100.0
624.28870	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	622.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	9.1
53.09449	2.7
55.01875	17.9
55.05502	12.7
57.03433	3.5
57.07079	3.9
67.05506	47.4
69.03122	3.6
69.03431	31.7
69.07058	17.1
71.04986	10.7
72.73326	3.7
73.02917	10.9
75.65160	3.3
79.05493	11.7
81.03418	42.9
81.07058	42.5
83.08605	11.5
85.02895	17.4
91.05465	10.7
93.07050	17.8
95.04957	4.3
95.08619	30.8
97.02893	32.3
97.10177	9.0
99.03842	4.8
99.04457	70.0
101.02365	4.4
105.07019	9.1
107.08591	12.6
109.02878	37.8
109.10156	16.5
111.04444	7.7
117.07023	3.2
119.08567	7.5
121.10139	11.1
123.11701	7.6
127.03919	100.0
133.10127	5.2
135.11665	5.4
137.13268	4.1
145.04979	13.8
145.10120	3.6
147.11613	5.5
149.13261	4.0
161.13333	8.0
163.14806	4.5
175.14844	3.7
245.22636	10.2
254.60094	3.1
261.22083	5.4
263.23688	24.8
279.23074	4.1
371.25830	11.5
389.26385	4.0
407.27890	13.2
425.28952	22.5
544.84424	3.4
547.17548	3.7
622.41711	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	622.343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07452	2.1
53.03937	5.5
55.01865	5.2
55.05510	12.5
57.07058	8.8
64.71399	2.2
67.05502	23.7
69.03423	14.3
69.06725	3.9
69.07067	47.7
69.56207	6.1
69.56595	18.8
71.04974	7.1
71.08631	5.3
79.05486	12.8
81.03410	8.4
81.07051	61.9
83.08615	8.9
85.02898	22.9
85.06553	4.5
87.00824	12.3
91.05459	11.5
93.07040	31.3
95.04943	6.2
95.08604	41.0
97.02855	12.8
97.06516	5.3
99.04467	3.0
105.01868	15.9
105.07020	29.1
107.04950	3.3
107.08593	36.8
109.02886	8.6
109.06510	4.5
109.10154	55.2
111.07941	2.6
111.11726	7.0
113.09656	9.5
119.08584	20.0
121.06520	4.7
121.10145	28.0
122.28722	2.3
123.08054	3.1
123.11700	28.9
127.03908	18.0
131.08563	14.9
133.10141	27.2
133.36748	2.4
135.08038	4.6
135.11693	10.7
137.05986	3.5
137.09645	14.1
137.13280	11.3
142.24429	2.4
145.04950	5.6
145.10121	9.2
147.08066	8.0
147.11668	19.4
149.09627	24.1
149.13231	7.0
151.11162	8.8
151.98914	2.6
153.12761	10.4
157.10129	4.5
159.02879	3.1
159.08026	3.1
159.11711	9.3
161.09613	20.2
161.13319	6.9
163.07587	2.6
163.14890	3.9
165.09125	14.1
167.10692	8.1
171.11711	3.6
173.09592	3.5
173.13261	8.2
175.11183	7.1
175.14804	6.8
177.09097	21.2
179.10684	9.6
187.14787	7.5
189.16415	3.3
191.10683	8.7
193.12167	4.5
193.15881	3.0
195.10262	3.7
201.12875	2.8
201.16359	6.9
207.13728	4.0
209.19051	5.2
219.13736	3.6
229.15985	2.6
231.04953	4.4
233.15390	4.0
235.16948	3.4
237.14728	3.5
243.21071	3.1
247.17039	5.8
249.05992	3.5
250.10579	2.9
257.22562	8.2
261.22025	5.1
267.21198	3.1
275.23700	7.5
285.22073	15.7
293.24640	4.5
303.23184	70.1
321.24216	100.0
339.25226	4.0
350.17557	2.6
411.25012	5.1
429.26428	10.7
447.27148	3.5
551.27942	6.0
569.29462	9.4
622.23492	33.6
623.23804	5.5
643.27429	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	622.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.2
55.05523	7.8
55.20995	4.0
57.07069	8.2
59.62381	3.1
62.06002	3.0
67.05508	22.9
68.99792	3.5
69.03423	26.4
69.07068	48.6
69.85902	21.3
71.04982	6.7
79.05486	7.0
80.26396	3.2
81.03426	17.6
81.07053	45.9
83.04992	4.6
83.08619	13.2
85.02910	31.3
85.06532	4.8
87.00837	13.4
91.05476	10.9
93.07050	32.1
95.04975	8.4
95.08601	42.8
97.02882	18.6
97.06539	3.5
97.10151	3.1
99.04442	6.6
105.01844	8.3
105.07034	19.4
107.08578	45.2
109.02866	23.8
109.06528	4.0
109.10156	72.2
111.11760	6.3
112.78589	3.4
113.09586	3.7
119.08591	11.8
121.10127	23.0
123.08061	5.5
123.11705	19.4
127.03876	19.5
131.08595	8.1
133.10120	17.8
135.07996	4.9
135.11693	11.6
137.05972	5.0
137.09621	19.8
137.13261	7.0
145.04929	4.1
145.10156	10.1
147.08078	5.6
147.11708	11.0
149.09602	18.9
151.11230	20.2
153.09096	4.4
153.12778	19.6
159.02878	4.6
159.08057	4.8
159.11765	6.7
161.09677	9.2
161.13257	5.4
165.09123	18.8
165.12744	3.4
167.10689	18.5
169.12270	4.8
175.11194	3.4
177.09138	11.0
179.10693	13.8
184.54880	3.8
189.16417	3.7
191.10745	5.1
193.12256	4.0
213.04002	7.7
243.21306	5.4
257.22717	4.1
275.23813	9.5
285.22003	4.6
303.23145	52.1
321.24252	100.0
339.25293	31.1
569.29401	8.0
587.30591	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12496	0.6
56.42011	0.7
66.24896	0.9
77.27885	0.7
98.20728	1.7
115.41634	0.7
118.06570	0.7
191.50394	0.8
211.08795	0.8
211.12231	0.8
223.12425	0.9
225.13904	1.2
234.11392	0.7
237.10182	1.2
237.13905	0.9
265.13229	0.7
277.10007	0.8
300.11676	0.8
314.16614	0.8
326.12851	0.9
340.14746	0.8
343.88077	0.7
375.16138	1.4
389.18100	1.2
391.19507	1.3
391.95831	0.8
402.14844	0.8
403.15536	2.4
403.19827	1.1
404.16028	1.0
405.21152	1.2
416.16266	1.4
417.16675	3.4
418.17877	3.1
419.18423	1.4
431.18710	3.7
432.19531	2.5
433.20270	2.7
443.18497	0.9
445.16849	2.6
446.17346	2.7
447.18195	6.8
447.22684	2.9
448.18497	1.5
457.20081	0.7
459.17557	1.4
460.19244	2.9
461.19437	8.3
462.20132	4.1
473.19434	1.6
474.20618	1.4
475.21307	20.5
476.22119	7.8
477.22940	6.3
488.21582	1.1
489.22885	2.4
490.22986	1.1
503.20355	5.0
519.23743	1.5
521.22278	2.1
533.21832	1.1
534.26038	2.3
535.23175	13.4
536.23785	1.6
547.23004	3.6
548.24054	1.4
549.24451	1.3
562.25476	14.7
563.26501	13.5
564.25604	0.8
575.22705	1.4
579.25787	2.3
590.25323	6.9
591.25726	0.8
593.24225	6.3
594.28320	5.0
605.27472	1.6
607.25519	5.8
622.27783	100.0
623.28424	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	621.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.4
55.01870	12.0
55.05510	27.8
57.03440	14.6
65.03954	3.5
67.05505	42.6
69.03427	16.5
69.07063	16.6
70.19051	12.6
71.04987	11.5
79.05497	52.1
81.03416	100.0
81.07058	45.4
81.36623	2.7
83.01315	2.6
83.05002	19.9
83.08620	22.1
85.02903	21.7
85.06543	3.5
91.05485	52.5
93.07044	31.8
95.04964	62.6
95.08607	17.7
97.02889	18.9
97.06542	13.0
97.10157	11.3
99.04482	9.8
105.07036	39.8
107.04961	21.8
107.08588	21.6
109.02866	20.0
109.06516	10.9
109.10159	12.2
109.75224	3.3
111.04451	11.2
111.08079	10.2
113.05975	4.0
114.28773	3.2
115.05453	4.4
117.07006	16.0
119.04933	5.6
119.08572	27.9
121.06516	15.9
121.10137	15.9
123.04376	18.2
123.11804	4.9
125.09655	9.6
127.03939	10.1
128.06174	3.4
129.06981	21.4
131.04958	6.2
131.08563	19.7
133.06511	11.6
133.10107	10.7
135.04387	4.4
135.08057	8.4
135.11697	8.0
137.05986	8.0
137.09579	4.7
139.03931	7.6
143.08594	7.4
145.06511	11.0
145.10141	10.2
147.04445	10.7
147.08076	8.6
147.11696	17.7
149.05960	8.1
149.09631	10.7
153.09122	3.0
155.08577	6.5
157.06502	3.9
157.10127	15.4
159.08073	6.2
159.11725	6.9
161.05983	11.2
161.09677	9.3
163.03909	3.0
163.11160	13.5
165.09142	11.8
165.12738	4.6
169.06401	3.1
171.08052	7.1
171.11641	3.9
173.04460	7.4
173.09613	5.2
175.11203	15.4
181.12173	4.4
189.11276	4.9
191.10699	5.4
193.12257	28.4
195.08099	3.9
205.12222	6.7
211.02618	3.2
211.13226	35.0
217.12222	3.5
223.13258	5.4
227.12764	9.2
235.13243	8.8
249.07587	8.2
249.14769	7.6
255.13785	5.6
257.15378	3.8
265.14484	3.4
267.15945	9.6
271.13666	3.6
273.14853	20.5
285.16992	7.7
287.16388	5.3
289.14349	7.9
301.14291	23.2
319.15424	9.1
331.16064	3.4
337.16425	6.8
367.22699	7.4
375.18216	7.2
377.24713	3.5
385.23660	8.2
393.19357	5.9
403.25049	4.6
433.25729	3.1
459.27539	17.5
477.28555	6.8
493.26321	4.7
501.27786	4.4
511.26382	3.6
567.29510	6.7
573.30035	3.6
585.30505	22.6
603.31671	17.9
621.32458	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	9.6
53.26778	1.6
55.01874	8.6
55.05507	27.4
57.03444	10.4
58.98338	2.0
60.36327	1.8
65.03940	5.3
67.05504	42.8
69.03422	22.0
69.07067	12.5
69.96235	3.9
69.96652	7.5
71.01340	2.9
71.04991	9.0
79.05495	38.4
81.03419	100.0
81.07059	41.2
83.04984	15.2
83.08620	23.4
85.02910	27.6
85.06556	4.1
89.41039	1.7
91.05486	48.6
93.07040	25.1
95.01315	2.2
95.04971	53.5
95.08617	19.1
97.02894	19.8
97.06541	6.5
97.10179	15.6
98.21456	2.2
99.04465	6.2
99.08086	2.8
101.02367	2.0
103.03944	2.3
103.05492	5.6
105.07034	34.4
107.04967	16.6
107.08576	16.6
109.02884	17.2
109.06525	8.1
109.10175	8.5
111.04449	11.7
111.08092	11.2
115.05493	3.1
117.06988	13.0
119.04951	5.4
119.08580	21.8
121.02883	3.3
121.06499	9.7
121.10140	16.3
123.04455	11.6
123.08065	4.7
123.11685	2.9
125.06055	2.3
125.09679	8.3
127.03920	10.0
128.06241	3.7
129.05537	2.4
129.06995	18.2
131.04927	8.2
131.08591	15.4
133.06494	8.9
133.10130	13.1
135.04427	2.6
135.08057	4.4
135.11700	9.6
137.06026	4.6
137.09641	2.3
139.03918	5.1
141.06956	5.9
142.07716	1.8
143.08592	5.9
145.06490	13.7
145.10135	11.3
147.04398	8.2
147.08072	8.6
147.11682	15.6
149.06023	4.9
149.09608	9.4
149.13387	2.1
153.12767	2.6
155.08585	5.1
156.71280	1.9
157.06488	4.2
157.10176	9.0
159.08118	4.4
159.11710	2.0
161.05986	8.3
161.09607	6.0
163.03867	2.3
163.11131	12.8
165.12817	5.5
167.07181	2.3
167.08597	4.5
169.06403	2.6
169.10168	3.1
171.08075	6.0
171.11755	3.9
173.04498	6.5
173.05962	3.7
173.09625	4.5
173.13374	3.1
175.11234	10.5
181.10149	2.5
181.12311	2.6
183.06531	2.5
183.08049	4.3
183.11705	2.7
185.05992	2.6
185.09627	3.6
185.13298	2.0
187.03795	2.6
187.07477	3.1
189.05547	6.2
189.11261	5.8
191.10704	5.2
193.12228	31.6
195.08054	3.4
195.11798	3.6
199.11267	3.0
205.12206	4.4
211.07635	2.6
211.13261	26.6
219.11765	2.0
219.13820	3.6
223.13258	4.0
225.13026	2.3
227.12830	8.5
231.13770	2.9
232.88496	2.3
233.15396	2.6
235.13358	5.5
237.12781	3.5
249.14847	5.3
255.13759	4.2
259.13327	4.9
267.15848	9.2
271.13229	3.5
273.14783	15.6
277.14551	2.6
283.13129	3.5
285.10138	2.9
285.17023	7.2
289.14447	2.2
291.15924	2.4
301.14307	17.7
315.15994	3.6
319.15454	11.2
337.16681	5.0
341.17294	2.7
364.99792	2.0
367.22409	3.2
375.18097	8.0
385.23691	8.5
393.19049	8.6
403.24890	2.9
441.26172	2.5
459.27344	14.8
465.26248	2.7
473.84717	2.0
475.25122	2.3
477.28409	5.5
493.25778	3.0
501.28232	3.8
511.26370	3.4
529.27356	2.6
538.69116	2.6
567.29431	5.4
585.30865	12.9
603.31622	15.7
621.32739	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	621.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	10.8
55.01863	9.2
55.05510	17.4
57.03437	8.3
59.58511	1.7
65.03933	4.2
67.05499	35.9
68.63325	1.4
69.03421	14.3
69.07077	8.7
70.06564	1.8
71.04984	6.1
71.58292	2.4
75.67050	1.5
79.05064	2.2
79.05493	35.2
79.53388	1.4
81.03415	100.0
81.07051	35.7
83.04979	18.8
83.08619	20.7
85.02902	20.4
85.06520	2.5
91.05479	38.0
93.07047	27.7
95.04967	37.3
95.08614	12.7
97.02869	17.9
97.06513	5.0
97.10185	8.4
97.96917	1.4
99.04436	3.7
99.08118	1.8
103.05458	3.3
105.03358	1.8
105.07032	31.6
107.04397	1.6
107.04960	16.2
107.08589	13.5
109.02879	23.1
109.06505	8.4
109.10141	6.3
111.04430	10.5
111.08096	7.3
115.05449	4.0
117.07031	7.4
119.04964	2.7
119.08565	21.1
121.02844	2.0
121.06505	8.8
121.10149	10.9
123.04397	8.8
123.08045	5.0
123.11713	4.3
125.02351	4.4
125.05962	1.9
125.09621	7.8
127.03905	11.6
128.06174	3.9
129.05473	2.6
129.06990	13.2
131.04901	3.1
131.08563	16.3
133.06462	7.7
133.10120	13.0
134.99571	1.9
135.04440	3.1
135.08032	4.4
135.11694	4.2
137.05951	3.9
137.09570	5.0
139.03922	10.5
141.06978	3.6
142.07787	3.3
143.08514	2.8
145.06482	5.5
145.10112	5.7
147.03368	1.5
147.04396	7.1
147.08046	7.6
147.11671	18.1
149.05890	3.2
149.09637	8.0
151.03853	2.0
151.11208	2.0
153.09084	1.9
155.08543	3.1
157.06450	4.0
157.10109	12.8
159.08022	4.0
159.11688	2.5
161.05954	4.7
161.09676	1.8
162.05444	1.5
163.03949	2.7
163.11186	9.1
165.09116	3.4
165.12749	3.9
169.10172	1.7
171.08107	2.7
171.11496	1.5
173.04437	5.8
173.05997	4.2
173.09569	3.5
175.07503	2.3
175.11180	12.7
177.12793	2.7
181.12204	4.8
183.08031	3.0
183.11598	1.6
185.13118	2.2
189.05461	3.4
189.09090	2.0
189.11160	3.5
189.12740	3.0
191.10652	5.7
193.12222	35.3
208.06079	1.7
209.11612	1.7
211.13266	38.5
213.12869	1.6
215.06891	1.8
217.04823	2.0
217.12184	1.9
225.05415	1.8
227.07025	2.1
227.12730	6.7
235.13290	3.0
247.13239	1.9
249.14870	2.7
255.13730	3.8
259.13098	2.7
267.15973	10.2
273.14816	9.8
285.17004	7.4
289.07040	1.6
289.14282	1.9
301.14279	10.7
319.15427	7.9
329.13522	2.0
333.16843	1.4
337.16394	2.2
355.17596	2.7
367.22598	2.7
375.18027	4.6
385.23279	2.0
393.19092	3.8
403.25000	2.7
405.09601	1.7
411.19894	2.2
412.26141	1.7
459.27228	6.0
473.29095	1.6
477.28308	4.8
495.29077	3.4
567.29236	1.8
573.29822	2.2
585.30304	4.8
603.31696	7.9
621.22974	2.4
621.32684	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2705
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
50.13787	0.5
53.03941	0.5
55.05519	1.2
57.03433	0.7
59.59662	0.5
67.05513	3.7
69.07070	0.9
70.20695	2.5
73.80991	0.5
79.05500	2.0
81.03399	0.7
81.07063	1.8
83.08624	0.7
91.05492	1.9
93.07059	2.0
95.04984	1.1
95.08620	1.3
98.20818	0.6
105.07071	1.5
107.04961	0.7
107.08634	0.9
109.06521	1.0
117.07024	0.6
119.08598	1.5
121.10204	0.6
131.08585	0.8
131.47646	0.5
133.06660	0.6
133.10138	0.6
134.24509	0.6
135.08090	0.6
143.08580	0.7
145.10170	1.2
153.30179	0.5
155.08615	0.8
159.11792	0.9
161.09596	0.6
167.08636	0.8
169.10223	1.0
181.10223	0.6
185.83440	0.6
201.72726	0.6
209.75377	0.6
218.34119	0.5
223.12305	0.7
273.18555	0.7
330.01178	0.6
373.14612	0.6
374.15167	0.7
375.16113	1.3
388.16837	1.4
389.17627	3.5
390.18469	1.6
391.19116	0.8
401.17953	1.3
402.18512	1.8
403.14627	0.8
403.19598	4.6
404.20053	1.8
405.20691	2.7
415.19608	0.8
416.15979	0.9
417.17053	3.6
417.21036	3.1
418.21841	1.0
419.22391	8.2
420.23001	1.2
429.16757	0.8
430.17603	1.3
431.18192	7.2
432.19141	2.5
433.20328	3.0
444.20197	0.7
445.20151	5.9
446.21072	6.8
447.21777	10.3
457.20078	0.7
459.22647	3.2
460.18469	1.2
461.19592	1.9
473.18927	1.0
474.20380	5.0
475.21326	7.5
487.21384	4.1
488.22388	1.1
491.20206	1.1
501.23285	2.8
505.26129	0.9
519.20355	1.6
533.25568	15.4
534.25964	1.6
561.24982	21.9
562.25061	1.0
589.24158	1.0
593.27722	4.1
621.27081	100.0
621.41516	2.8
622.27252	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	621.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65439	0.9
51.90672	0.8
70.03839	1.4
70.04256	3.5
73.34850	0.9
76.04128	0.9
79.30514	0.8
86.92215	0.9
95.44438	0.9
118.64787	1.0
183.07867	0.9
375.16141	1.8
387.16080	1.4
388.17099	2.3
389.17676	6.2
390.18872	2.6
401.18042	1.5
402.14148	1.3
402.18829	1.8
403.19586	8.3
404.20050	2.7
405.20792	2.7
415.19568	1.3
416.15933	1.9
417.17004	5.0
417.20987	5.2
418.17340	1.5
418.22183	1.2
419.22476	9.7
429.16843	1.3
430.17892	3.1
431.18246	13.3
432.19125	2.0
433.20380	3.7
445.19955	8.1
446.20914	7.9
447.21860	12.6
448.22327	1.5
458.21344	1.0
459.17941	2.7
459.22592	1.4
461.19852	2.4
473.19360	1.4
474.20398	12.2
475.21252	19.3
487.21191	4.6
488.21423	1.8
501.23096	3.1
518.23047	1.3
533.25452	9.8
546.22253	1.2
561.24963	95.2
562.24994	5.2
589.24707	2.5
593.27429	4.6
621.27069	100.0
622.27142	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	621.2699
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
52.25888	0.3
66.43793	0.3
70.75548	0.5
70.75883	0.8
91.08087	0.3
97.03011	0.3
209.10812	0.4
226.70384	0.3
250.10962	0.4
257.46173	0.3
321.89398	0.3
324.15134	0.3
372.83881	0.4
374.15433	0.5
375.16101	0.8
376.16922	0.4
387.15964	1.2
388.16949	1.3
389.17493	2.3
390.18478	0.9
391.19150	0.7
401.17627	0.8
402.18585	1.4
403.19400	3.6
404.20105	1.9
405.20862	2.0
406.21106	0.3
416.16190	1.1
416.20761	0.6
417.16245	3.3
417.21152	1.6
418.17175	0.7
418.22217	0.7
419.22458	6.1
420.22913	0.6
430.17880	1.3
431.18097	5.3
432.19031	2.1
433.20053	2.3
444.19540	0.8
445.20126	4.9
446.20920	5.2
447.21762	8.0
448.22336	0.4
459.22797	2.4
460.18054	0.6
461.19669	1.4
462.20422	0.5
473.18872	0.8
473.24173	1.2
474.20364	5.7
475.21164	6.1
476.21719	0.9
487.21182	2.6
488.21991	1.0
491.20862	1.0
501.22943	1.8
502.23505	0.4
505.25723	1.2
518.23132	0.6
519.20160	0.6
529.22357	0.8
533.25488	11.2
534.25983	1.1
546.21954	0.4
561.24945	20.3
562.25385	1.4
589.24213	0.6
593.27600	4.9
621.27051	100.0
622.27411	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	621.2706
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
52.73577	1.2
71.59655	1.6
109.08894	1.3
127.75889	1.2
138.24187	1.4
181.75192	1.3
205.21265	1.3
205.62285	1.4
388.17239	1.6
389.17691	2.4
401.17950	1.4
402.18732	2.3
403.19284	4.5
404.20071	2.7
405.20557	3.2
415.19791	1.6
418.22183	1.6
419.22491	5.6
431.18335	2.7
432.19299	2.7
443.19159	1.6
446.21048	3.9
447.21930	6.7
474.20258	8.8
475.21243	14.0
487.21652	4.1
488.21924	1.6
498.91006	1.5
501.22977	2.1
533.25250	7.4
561.24921	27.5
562.24744	1.9
589.24634	1.7
621.27075	100.0
622.27197	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	621.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.3
59.84930	2.4
66.90913	2.5
68.02522	2.5
70.06589	5.9
71.09966	6.1
71.10312	3.2
72.09837	2.5
85.02870	6.5
86.09695	3.0
91.05479	6.5
102.38638	2.5
103.03908	3.2
104.80376	2.4
107.04945	6.4
109.02900	3.4
115.05452	4.2
117.07013	4.6
119.04936	6.5
121.02827	2.8
127.03941	2.9
133.06442	2.8
144.05711	8.8
145.06483	12.0
147.04401	27.0
147.90303	2.3
153.01808	27.7
154.02171	5.8
155.06047	3.1
161.06027	3.5
165.01811	4.6
165.05495	2.7
171.04385	3.8
175.03958	2.8
177.01843	5.7
179.03346	3.6
189.01784	5.6
191.03407	3.2
194.02112	5.3
194.66460	2.8
195.02844	11.7
203.03366	10.2
205.05035	3.1
207.02925	13.1
207.87157	2.7
209.04491	3.2
217.04974	6.0
219.02864	8.8
221.04478	6.3
225.03891	3.1
229.04980	4.3
231.02751	3.1
233.04349	3.9
245.04256	2.9
257.04495	5.2
275.05103	2.8
285.03769	3.9
293.07889	4.1
305.07916	3.4
307.09485	3.9
309.07593	3.9
320.06860	5.9
321.07544	69.9
321.11234	5.7
323.09036	6.1
333.07629	39.3
334.08261	8.4
335.09076	14.6
339.08466	6.1
346.08353	4.2
347.09119	26.4
349.10880	3.2
351.04288	5.1
351.08618	100.0
359.09015	9.4
361.10614	10.7
363.08621	49.8
373.10736	11.5
375.08469	23.8
377.10187	17.4
380.60263	2.6
381.09729	22.6
387.08557	10.8
389.09998	6.5
391.11917	12.6
393.09894	4.4
399.08752	4.5
401.10193	9.9
405.09705	50.5
411.08490	4.3
415.11899	3.4
417.09689	22.8
429.09836	21.6
435.10773	39.8
443.11124	3.3
447.10757	21.8
453.11850	46.7
465.11844	31.3
471.10922	5.0
483.12912	87.1
484.13214	4.0
489.11612	6.4
501.13873	16.7
507.12735	22.7
525.14050	21.0
531.12634	10.3
537.14063	13.8
549.13843	22.0
555.14746	8.1
567.14978	24.8
585.16351	20.4
603.16626	6.7
621.21503	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	620.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81496	2.5
51.02391	2.5
53.03946	7.7
55.01872	19.8
55.05515	19.3
57.03421	8.1
63.75802	2.3
65.24014	2.7
67.05502	56.0
69.03432	41.7
69.07076	11.5
69.27286	3.8
69.27628	29.7
71.04987	10.7
73.02917	10.8
79.05495	35.2
81.03413	38.8
81.07061	61.3
82.07398	3.4
83.01402	2.3
83.04977	5.7
83.08621	7.7
83.79968	2.0
85.02900	15.1
87.04423	2.7
91.05465	19.9
93.07044	42.2
95.04955	5.9
95.08598	47.2
97.02892	42.3
97.10181	2.6
98.21577	3.7
99.04452	63.1
105.07038	17.6
107.08587	20.0
109.02883	35.2
109.10159	23.8
111.04449	9.3
117.07031	7.8
119.08586	10.2
121.10130	18.6
123.11721	8.1
127.03916	100.0
131.08600	8.0
133.10133	9.2
135.11713	16.9
136.65869	2.6
137.13301	3.8
143.08589	3.5
145.04959	18.9
145.10133	9.5
147.11690	9.4
149.09598	2.7
149.13304	6.4
157.10278	3.7
159.11713	7.1
161.13263	5.9
163.14850	2.9
171.11719	3.2
173.13245	8.1
174.98647	3.7
175.14806	2.6
177.12976	2.3
187.14954	3.3
188.80840	2.7
212.99963	2.8
218.62526	2.7
243.21089	7.0
259.20630	5.9
261.22141	19.0
269.84116	2.4
277.21689	7.2
279.23294	7.5
283.01849	31.3
284.02301	6.0
338.27725	5.7
341.24612	4.2
357.24048	2.5
369.24289	7.3
383.40564	2.6
387.25043	3.8
405.26404	5.4
423.27451	24.6
479.29321	2.6
522.34680	3.1
600.05109	2.5
620.27863	8.2
620.38165	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	620.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.2
55.05510	6.8
57.03437	8.5
57.07068	1.6
59.04985	1.7
61.02913	3.2
61.74739	1.5
65.60573	1.5
67.05505	56.3
69.03431	2.0
69.07077	8.2
71.04993	2.7
71.58818	2.2
79.05499	15.5
81.03413	4.1
81.07063	33.7
83.04988	4.4
83.08611	9.0
85.02901	4.4
85.06529	2.9
91.05484	8.8
93.07040	24.8
93.07557	2.5
95.04939	4.2
95.08595	9.7
97.02871	3.5
97.06536	2.2
105.07024	3.8
107.05000	3.0
107.08613	10.7
109.10161	38.9
111.08083	5.1
117.07029	4.4
119.08592	6.0
121.06481	1.7
121.10136	6.3
131.08572	3.2
131.61986	1.6
133.10129	5.6
135.11678	3.2
138.81032	1.5
140.18069	1.5
145.10118	2.1
149.13252	13.1
159.11662	4.0
173.11754	12.7
177.12660	2.9
195.13811	5.3
229.14348	36.4
269.17499	42.0
279.96994	1.6
423.27423	100.0
424.27634	5.0
572.25183	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.2
55.01859	4.7
55.05512	27.2
57.03440	7.7
57.07066	2.8
65.03910	4.6
67.05177	4.6
67.05508	71.7
69.03435	18.0
69.07078	19.9
71.04995	6.7
79.05495	73.1
81.03422	61.7
81.07063	68.2
83.04993	17.3
83.08611	11.8
85.02891	6.7
85.06528	3.8
91.05478	51.9
93.07040	70.9
95.04983	20.8
95.08612	31.3
97.02900	5.7
97.06522	6.5
97.10172	4.7
98.20694	5.9
99.04462	4.1
103.05465	3.0
105.07034	38.2
107.04937	11.5
107.08611	29.0
109.02880	10.9
109.04355	2.9
109.06506	10.5
109.10156	7.6
111.04431	7.2
111.08118	4.7
117.07006	16.2
119.08574	23.4
121.06521	6.1
121.10143	13.8
123.08059	10.3
125.09631	4.0
127.03921	11.5
128.06219	4.8
129.06966	16.3
131.08534	12.2
133.10124	14.3
135.11678	7.8
143.08572	8.3
145.10120	11.5
147.11674	33.2
149.13283	11.6
155.08681	3.5
159.08037	4.2
159.11707	11.2
161.13309	14.3
165.12662	5.1
171.11668	29.5
175.11104	3.3
177.12752	6.7
182.74922	3.4
189.12732	10.2
191.14363	5.1
195.13826	11.8
207.13800	32.2
216.91736	3.1
219.13857	3.3
229.76224	3.4
269.17590	4.0
281.17453	12.5
283.01901	31.8
321.16898	4.2
337.27310	11.5
339.17923	14.7
345.17261	3.4
351.17966	3.6
361.17264	3.1
383.25687	3.5
395.20667	16.6
405.12006	3.4
453.14240	3.3
457.29770	4.9
475.30780	17.0
537.30737	6.0
556.84253	3.4
601.34375	5.3
619.34924	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	2.4
53.03943	18.1
53.65840	2.1
55.01852	7.1
55.05512	31.2
55.47981	2.3
56.78066	1.9
57.03419	7.8
57.33763	2.0
65.03928	3.2
67.05508	85.6
67.44791	2.1
69.03429	26.2
69.07070	21.4
70.65768	6.9
71.04993	11.2
79.05495	100.0
81.02929	2.8
81.03419	76.0
81.07059	95.8
83.04979	24.9
83.08636	14.7
85.02882	8.1
85.06537	4.9
90.56705	2.0
91.05478	82.7
93.07045	83.5
95.04966	33.2
95.08603	41.0
97.02892	18.6
97.06507	9.4
97.10139	4.6
99.04440	8.3
99.08083	3.7
105.04506	3.1
105.07031	48.4
107.04950	11.0
107.07870	2.8
107.08589	34.7
109.02884	8.7
109.06509	9.4
109.10128	9.3
111.04414	8.0
111.08059	6.5
113.45867	2.3
115.05427	3.0
117.07022	19.8
119.08582	32.8
121.06485	7.0
121.10133	13.4
123.04381	2.7
123.08048	7.8
123.11686	7.9
127.03883	10.3
128.06169	6.8
129.07019	24.2
130.73483	2.0
131.08585	15.3
133.06462	4.5
133.10136	18.5
135.08020	4.9
135.11671	7.7
141.07001	2.8
142.07793	3.1
143.08548	12.5
145.06497	3.0
145.10135	12.5
147.07991	5.6
147.11687	38.8
149.13254	13.8
155.08484	2.8
157.06509	2.6
157.10201	3.3
159.11658	8.3
161.09560	3.3
161.13278	12.0
163.11162	3.0
165.12708	3.3
169.10091	5.0
171.11685	28.1
173.04382	4.3
177.12743	5.2
185.13191	3.5
189.12708	14.1
195.13776	9.5
199.05966	4.0
207.13803	31.5
219.13782	2.4
221.13290	2.3
225.14835	3.6
233.15457	2.7
269.17548	3.3
281.17413	13.1
283.01950	10.5
317.17120	2.5
321.17047	3.8
339.18076	15.7
395.20465	13.0
457.29214	3.6
475.30444	17.2
601.34094	3.3
619.34912	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	619.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.7
57.03434	4.2
59.02546	4.2
67.05492	21.4
69.03401	5.0
69.07063	8.1
71.30972	11.2
77.64461	4.5
77.87666	3.8
79.05487	9.4
81.03416	11.0
81.07062	26.1
81.25648	4.7
85.10174	5.5
87.04462	5.0
91.05468	5.8
93.07036	15.6
95.04969	8.3
95.08613	8.4
105.07074	10.4
107.08573	7.1
109.06548	18.2
109.10169	10.1
113.05979	9.0
119.08555	6.3
123.04419	8.2
126.49417	4.4
131.08543	11.6
135.11691	4.8
145.10141	6.8
151.07500	30.9
161.05908	6.3
174.10878	4.4
179.07033	47.6
197.08105	100.0
202.00626	4.0
203.07079	5.0
206.61386	4.6
221.08110	7.0
253.34915	4.5
305.10034	4.7
344.57275	4.5
469.61005	4.5
521.38055	12.9
619.43103	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	619.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	17.1
53.46521	3.1
54.70394	3.1
55.01873	8.3
55.05513	26.2
57.03419	8.1
62.84721	3.2
65.03934	8.1
67.05504	100.0
69.03423	19.7
69.07072	27.0
70.30247	13.7
71.05002	9.0
72.33154	3.1
79.05070	4.4
79.05496	87.0
81.03419	76.9
81.07056	96.2
83.04971	22.3
83.08628	17.5
85.02904	11.5
85.06534	5.3
91.05480	86.3
93.07037	85.6
95.04971	33.5
95.08599	49.1
97.02869	13.2
97.06540	10.4
98.20876	3.2
98.44350	3.3
99.04435	5.3
99.08082	5.0
105.07040	50.0
107.04957	19.0
107.08594	41.1
109.02880	7.0
109.06500	10.1
109.10154	8.2
111.04407	6.2
111.08090	4.4
115.05451	4.5
117.07003	29.1
119.08586	31.2
121.06506	10.1
121.10129	17.7
123.04440	3.4
123.08042	10.8
123.11611	6.9
127.03913	10.4
128.06259	4.3
129.06984	19.8
131.08562	16.6
133.06439	4.4
133.10117	18.6
135.08055	4.7
135.11667	10.1
137.05879	3.2
141.06952	7.0
143.08565	12.9
145.06468	6.3
145.10129	12.0
147.08124	7.4
147.11681	38.7
149.05946	5.1
149.13197	16.1
155.08572	4.6
157.10127	7.8
159.08058	4.1
159.11702	12.6
161.09601	5.7
161.13205	10.7
169.10146	3.2
171.11690	28.9
173.04388	5.1
177.12764	7.9
189.12743	9.7
189.20184	3.6
195.13840	9.9
200.92613	3.4
207.13829	26.8
213.14888	3.4
267.15985	7.5
269.15100	4.1
269.17679	5.4
273.14706	4.1
281.17416	4.3
287.16357	7.2
312.64618	3.1
321.17142	6.5
339.18018	14.7
351.17923	3.7
381.24216	3.8
395.20776	4.4
475.30579	16.6
619.34729	78.0
619.44702	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	619.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
60.83026	1.6
69.07062	2.2
69.42209	15.5
75.07475	1.6
91.05494	2.5
94.06625	2.1
98.21484	2.6
106.06590	2.4
122.06027	5.6
134.05998	3.0
136.07584	24.3
140.07079	8.0
146.06052	7.8
148.07596	9.4
150.09180	3.3
152.07040	2.7
164.07077	25.5
166.08662	5.7
168.08455	1.6
170.97217	1.7
172.04025	2.7
174.05533	3.9
176.07042	18.2
190.05162	2.1
223.12262	2.7
224.09491	2.1
224.12865	1.8
225.10301	2.4
225.13910	2.2
235.12216	1.8
236.10727	1.7
238.10985	11.6
239.11707	11.5
248.13034	1.7
250.11026	2.9
251.11842	7.1
253.13376	7.2
261.12460	2.2
263.11923	3.8
265.10083	2.0
265.13391	11.9
267.11252	5.1
271.14398	6.2
278.10541	3.5
279.11267	100.0
280.11923	9.1
281.12836	3.0
283.10858	3.6
283.14264	2.1
287.13849	8.1
289.15552	2.7
293.12927	5.2
295.14365	2.5
296.11871	3.6
297.12317	50.1
298.13132	5.0
309.12308	9.7
310.12961	8.2
311.10504	2.6
311.13889	16.6
312.14548	2.9
313.11792	4.4
313.15326	22.2
321.12344	12.3
325.11853	4.4
331.12888	3.6
337.11789	23.3
338.12558	9.9
339.13391	89.3
357.14377	1.8
392.19577	2.1
400.16217	1.8
434.20764	2.7
438.20572	3.8
442.17645	3.5
450.20398	2.3
452.21780	22.8
460.18665	51.3
461.19397	4.3
478.19705	36.5
479.20331	5.5
480.21030	5.8
548.08136	2.1
575.28400	5.3
583.25195	3.3
601.26538	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.2
51.02379	0.7
55.01872	0.2
60.04523	0.3
60.17112	0.2
61.02922	0.3
62.19319	0.2
63.12408	0.1
68.46259	0.1
69.03442	0.8
69.32139	0.1
70.06586	0.5
71.57906	0.3
72.08148	0.2
73.02918	0.2
79.01395	0.3
79.01847	4.2
79.67608	0.1
79.83886	0.2
81.03417	0.7
84.04489	0.2
84.08118	0.2
85.02920	1.1
85.03343	0.2
86.09721	0.2
91.03941	0.4
97.02880	1.2
101.39835	0.2
104.05289	0.2
107.01307	1.1
107.20349	0.2
109.02854	0.8
110.05715	0.2
121.45659	0.1
121.53235	0.2
123.92482	0.2
125.02352	3.6
127.03934	1.0
143.03394	7.2
145.04942	0.4
147.04340	0.2
153.01828	100.0
153.02800	3.8
154.02191	0.8
162.07622	0.5
163.03947	0.3
174.99411	0.1
179.03403	0.3
186.87607	0.1
191.03412	0.7
195.02902	0.5
205.04968	0.3
219.02980	0.3
237.03915	1.3
243.03088	0.2
261.03995	0.4
273.03870	0.2
279.05063	0.5
297.06046	0.7
301.03375	0.2
305.02905	6.1
389.05502	0.2
439.07156	0.2
449.06989	0.9
457.44397	0.2
470.92694	0.2
517.29205	0.2
601.06879	0.6
619.07471	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38619	0.6
56.96558	3.2
58.06593	0.9
60.08156	6.2
67.05506	0.8
69.07059	0.7
70.26672	2.6
70.94969	0.7
71.07375	4.2
71.64129	0.5
72.08145	0.8
85.35694	0.8
86.09707	14.8
93.07039	0.7
95.08608	0.9
95.66157	0.7
104.10744	100.0
109.10085	0.5
110.85962	0.6
119.68496	0.6
154.94180	1.2
157.62943	0.7
165.30121	0.7
172.95273	4.7
180.95747	1.0
190.96248	3.7
198.96800	10.6
210.96875	0.8
216.97870	15.8
228.97920	2.5
239.99451	0.8
240.09935	0.7
254.99623	0.7
278.01129	0.8
319.19424	5.7
337.20480	15.7
355.21634	1.6
360.22119	2.6
439.19241	1.6
443.18887	1.1
473.19769	3.8
496.20996	0.9
499.21524	2.8
502.26044	6.4
558.28839	11.3
618.30426	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	617.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02987	2.3
51.36184	1.8
53.03958	2.7
55.05278	3.2
55.05500	14.1
57.03448	3.6
57.07077	4.6
65.03933	3.6
67.05505	34.6
69.07060	18.5
71.01352	3.6
71.08617	1.9
73.02916	6.3
79.05487	19.4
80.73955	2.3
81.07056	58.0
82.48280	1.9
83.08625	7.6
85.02905	26.9
91.05482	20.1
93.07040	43.3
95.01347	10.1
95.04996	4.8
95.08607	100.0
97.06506	2.7
97.10186	4.4
98.20707	3.6
101.02360	2.2
101.64081	1.9
103.03965	2.9
105.07032	56.2
107.08595	77.7
109.06538	3.7
109.10155	71.5
111.08044	10.3
111.11729	4.7
113.02380	6.0
115.05456	2.1
117.07030	5.8
119.08574	59.5
121.10143	55.5
123.11712	27.6
125.09608	3.0
128.03195	2.0
129.07053	2.7
131.03377	5.7
131.08578	15.2
133.10129	54.1
133.11084	3.8
135.11700	37.2
137.13266	10.3
139.11215	7.6
141.01837	18.7
142.07822	3.1
143.08591	5.0
144.09338	2.6
145.10129	29.1
147.11696	40.3
149.13274	32.3
151.11206	3.0
153.12781	2.3
155.57814	2.4
157.10181	9.0
158.10909	2.4
159.02893	17.6
159.11694	30.2
161.13263	41.5
163.11160	3.2
163.14812	23.6
165.12804	4.6
169.10201	2.8
171.11731	7.7
173.13264	22.7
175.14827	36.2
177.03943	5.9
177.16396	25.5
183.11847	2.0
185.13309	6.3
187.14827	18.9
189.16388	32.8
191.17935	11.6
193.15971	3.7
195.17537	2.4
199.14848	8.3
201.16399	23.8
203.17958	45.8
205.15871	7.5
205.19530	4.5
207.17465	7.1
213.16414	6.7
215.17986	22.7
217.15910	2.2
217.19495	29.6
219.17429	12.1
219.20967	2.1
221.19028	8.5
225.16441	4.6
227.17998	8.2
229.19536	30.5
231.21120	3.5
233.18999	6.3
235.20500	2.7
241.19597	5.7
243.21063	9.6
245.19196	2.9
247.20604	15.9
253.19614	3.6
255.21094	8.5
257.22693	7.6
259.20715	3.5
261.22226	5.3
267.21194	3.8
268.62802	2.4
269.22668	7.0
271.24350	3.3
273.22147	3.4
275.23734	5.5
279.11362	3.1
287.23795	5.2
295.24335	3.7
297.12283	2.7
297.25897	3.9
301.25085	2.5
303.64142	2.4
311.27258	3.6
315.26886	2.3
335.27908	2.3
365.32355	5.0
383.33160	2.8
405.35278	17.2
423.36154	47.6
441.37177	11.6
447.66382	2.6
462.19470	2.6
581.38226	8.4
599.39484	13.8
641.11682	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	17.9
57.07079	5.1
60.01427	2.4
63.19064	2.5
67.05507	26.6
69.07074	24.7
69.95512	15.9
72.16490	2.7
73.02914	3.5
79.05495	19.8
81.07059	60.6
83.08620	10.5
85.02900	9.5
91.05460	19.3
93.07042	41.4
95.01311	14.5
95.08604	100.0
97.06590	2.9
97.10177	7.2
105.07032	50.0
107.08601	56.9
109.06520	2.9
109.10152	70.2
111.08078	3.2
111.11720	10.7
113.02380	3.5
117.07011	6.3
119.08581	55.6
121.10138	52.3
123.08104	3.3
123.11709	24.2
131.08569	20.3
133.10114	45.2
135.11681	35.8
137.13275	7.7
139.11208	3.8
141.01822	28.9
143.08652	3.1
145.10074	28.8
145.10930	2.5
147.11678	39.4
149.13239	19.9
151.11122	2.9
157.10147	10.2
159.11671	30.1
161.13237	44.2
163.14813	23.7
169.10115	3.6
171.11711	5.9
173.13254	18.4
175.14781	27.5
177.16365	25.9
179.14204	4.9
179.17926	2.9
185.13254	6.0
187.14819	24.7
189.16360	28.7
191.17963	17.4
199.14813	11.9
201.16440	23.8
203.17921	35.0
205.15958	8.1
205.19521	18.1
207.17461	5.8
213.16379	10.8
215.17993	12.2
217.15918	7.8
217.19461	24.9
219.17456	4.8
227.17963	10.2
229.19516	14.3
231.17450	4.5
231.21030	10.7
241.19485	5.8
243.20999	4.9
245.22589	6.9
253.19655	2.8
255.21106	7.7
257.22650	13.5
259.20782	2.8
259.24039	4.2
269.22629	6.3
271.24265	6.7
278.36435	3.0
281.22568	4.1
283.24185	4.6
290.82684	3.3
295.24133	5.1
297.25793	5.7
318.80042	3.1
365.31888	6.1
393.35172	5.3
405.35013	23.4
423.36310	35.8
441.37201	4.1
581.38721	4.1
617.39807	3.4
618.63782	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	617.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62281	2.2
67.05488	7.4
68.09725	2.4
69.07065	6.6
70.03752	5.2
70.04159	8.4
71.04984	2.8
79.05480	4.9
81.07059	3.8
83.04965	2.9
85.02884	4.2
91.05473	4.9
91.27799	2.2
94.06541	10.6
95.04971	5.0
95.08607	3.2
97.02900	2.6
105.07037	4.7
107.08578	2.3
109.10162	3.7
112.07533	2.8
119.08532	3.1
122.06022	31.5
123.04413	9.0
127.03855	3.0
131.08528	2.8
133.10120	2.5
137.05928	2.7
139.03860	7.1
140.07062	52.2
146.05998	7.0
147.04407	3.0
147.11607	2.3
148.07550	49.5
166.31866	2.5
167.07043	3.6
168.07390	2.8
174.05510	2.8
176.18166	2.5
176.65594	2.4
181.04919	2.4
190.04916	5.5
192.06509	2.8
207.56494	2.5
225.10356	3.0
227.11807	14.1
269.12894	5.6
283.10699	3.4
285.12280	3.8
287.13889	100.0
297.12286	5.0
305.14963	3.7
313.11694	2.9
315.13431	2.6
316.14334	9.1
328.14285	3.6
330.15863	5.9
331.16730	7.4
344.17496	3.7
346.19263	3.4
358.15649	3.3
384.13403	4.3
390.17795	8.5
398.14893	3.5
399.15823	5.5
400.16486	7.6
418.17169	3.4
432.19232	21.2
433.19611	9.3
454.26825	2.3
458.17249	8.3
459.17648	3.7
491.54352	2.3
557.23401	2.8
573.27191	18.2
599.25012	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	617.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.8
55.01860	2.0
55.05507	6.7
57.03428	2.0
57.07084	1.4
62.30566	0.9
65.03957	1.0
67.05501	13.3
68.99785	5.2
69.03436	5.9
69.07078	5.2
71.04984	3.3
73.02904	1.2
79.05492	12.3
80.77524	0.9
81.03413	7.8
81.07051	13.3
83.04977	2.2
83.08614	2.8
85.02905	5.5
85.06547	1.6
85.31392	0.9
87.32616	0.9
91.05485	13.3
93.07045	13.6
95.04972	10.1
95.08612	9.7
96.43463	0.8
97.02891	5.8
97.06544	1.2
99.04475	1.0
99.08077	1.1
105.07030	16.6
107.08591	9.5
109.02880	2.2
109.06512	18.8
109.10136	3.5
111.04449	2.2
111.08067	9.8
113.06010	10.8
115.03976	1.1
115.05428	1.5
117.07022	6.7
119.08562	11.8
121.06494	3.2
121.10139	6.0
123.04436	11.6
123.08070	3.5
123.11770	1.2
125.09634	1.7
127.03928	5.3
128.06175	1.5
129.06970	3.6
131.08569	9.2
133.06485	4.3
133.10136	8.8
135.08063	2.8
135.11685	6.3
137.05960	4.2
137.09544	0.9
139.03867	5.6
141.06947	2.0
143.08551	3.4
145.06461	1.4
145.10144	9.8
147.08026	1.6
147.11693	10.4
149.05940	2.2
149.09576	1.4
149.13254	4.5
151.07542	31.3
155.07034	1.4
155.08475	2.3
157.10139	3.3
159.08105	2.1
159.11687	7.5
161.05966	8.9
161.09572	1.1
161.13248	7.6
163.03903	2.5
163.07555	5.8
163.11186	1.3
163.14798	1.5
165.08850	1.1
169.10143	2.5
171.11697	5.8
173.05846	0.9
173.09567	1.8
173.13261	5.5
175.07576	1.9
175.11232	1.0
175.14827	3.3
177.05469	1.3
179.07030	62.8
181.10117	1.3
183.08058	1.1
183.11678	2.0
185.13245	3.5
187.14847	1.8
191.07011	12.8
191.10654	1.6
195.11665	1.7
197.08092	100.0
198.08429	1.1
199.07629	1.0
199.14784	2.2
203.07086	1.9
205.05013	1.1
205.08545	2.5
209.08070	9.7
213.12619	1.0
217.16034	1.1
219.10089	2.1
221.08047	2.3
221.15376	1.8
223.09625	2.9
231.21188	1.2
237.11212	4.2
239.09134	2.7
239.18040	1.2
241.19527	4.8
251.12807	2.7
257.19080	2.8
259.13297	1.6
259.20596	9.4
263.12753	2.9
271.20566	1.6
275.20099	1.6
277.14389	6.5
277.21762	1.9
287.12503	1.2
289.21844	1.0
291.15646	1.3
297.14801	1.2
301.21555	1.8
313.21295	1.1
315.15845	1.5
339.23166	1.9
349.21759	1.7
367.22827	4.9
385.23697	12.2
403.24878	8.7
421.25717	8.9
429.59274	1.0
441.18790	2.3
459.19925	1.4
493.26038	3.1
563.30054	3.1
581.31641	1.7
599.31866	1.2
617.35498	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.1
57.07076	27.1
57.36888	0.6
57.93779	0.5
59.05007	0.7
69.03408	0.6
69.07052	1.9
69.95152	2.6
71.08630	27.9
73.06551	7.5
81.07066	0.9
83.08629	3.0
85.10180	24.5
85.22247	0.6
87.04469	8.5
89.06028	100.0
91.07614	1.2
97.10168	1.5
99.07313	0.6
99.11711	3.6
106.28973	0.6
107.07069	7.0
108.07465	0.7
117.09138	7.2
130.08583	3.0
131.07024	1.6
133.08600	52.6
135.10158	0.9
141.16388	4.9
145.10330	0.5
153.60065	0.5
161.11749	2.2
175.09674	1.2
177.09656	0.9
177.11215	19.0
185.19029	5.6
185.43446	0.6
221.13843	3.5
226.21606	1.0
229.21626	8.4
239.14978	1.6
273.24249	4.8
283.17587	1.5
327.20233	1.1
459.27789	1.7
599.43292	3.0
616.46515	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	616.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	0.4
71.43473	0.5
76.02241	0.3
76.86169	0.3
78.04703	1.2
79.05483	1.1
81.03445	0.3
81.07041	0.4
83.16195	0.3
85.02861	0.3
91.05460	1.2
93.07030	0.5
95.04948	0.7
97.02856	0.3
103.05419	0.4
105.06990	0.7
106.04107	0.4
107.04963	1.2
107.08565	0.3
119.04904	0.4
119.08572	0.3
119.42216	0.2
121.06505	0.6
123.04427	4.0
124.05226	1.6
129.07016	0.3
131.04918	0.3
133.06467	0.6
136.05246	0.3
136.12090	0.3
137.05945	0.9
138.06297	0.4
145.06517	0.3
149.05998	0.6
151.03897	0.6
152.04665	1.2
159.08025	0.4
161.05975	1.0
167.07034	100.0
168.07346	1.4
175.07578	1.4
179.07069	1.4
181.08559	2.6
187.07617	0.5
191.06961	0.5
193.08617	3.7
211.09659	6.4
211.13116	0.5
218.35052	0.3
281.11792	0.4
341.13885	1.5
353.13751	0.6
359.14816	0.5
371.14996	0.4
379.15460	0.4
457.94205	0.3
616.33649	1.3
636.86310	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97671	0.5
55.01869	0.7
67.05515	1.4
79.05463	0.8
81.03419	0.7
81.07054	1.2
83.49274	0.5
83.61662	0.5
91.05481	0.7
98.21515	1.5
105.06977	0.9
107.04968	0.9
119.08579	0.8
120.32214	0.5
123.04447	1.4
133.02820	0.6
133.06483	0.8
134.40219	0.6
135.04443	0.9
137.05972	0.8
149.02353	0.8
151.03918	2.4
153.05490	0.8
159.11873	0.6
163.03941	0.8
165.06970	0.5
167.07146	1.3
179.03436	0.6
181.04933	0.9
185.05927	0.8
197.05988	1.1
213.05507	1.3
215.07089	0.6
221.05960	0.7
225.05498	1.4
227.59537	0.6
237.05620	1.1
238.06197	0.9
241.05011	1.2
242.05823	1.5
243.06474	1.0
252.04176	0.8
253.05048	1.6
255.06659	0.6
257.04391	0.6
257.08118	1.9
266.05856	1.1
267.06509	1.0
268.06674	0.7
269.04462	1.7
270.05441	1.8
271.06018	3.0
283.06085	0.8
285.04529	0.6
285.07495	2.9
286.05637	0.7
286.08231	3.0
293.07776	0.6
299.09250	2.5
301.07239	1.0
305.04651	1.1
312.06525	0.7
319.06158	1.1
334.04852	0.8
347.05539	1.0
359.05801	0.8
363.04886	0.9
375.05017	0.9
377.06750	1.2
393.07016	0.8
403.04416	1.1
405.06042	2.0
412.05499	0.6
417.05679	1.0
418.06894	0.8
419.07730	0.7
427.08081	0.6
433.09247	1.4
435.11401	0.9
436.07236	0.6
437.05856	0.8
446.06482	1.1
461.08899	1.2
469.09076	0.7
491.09906	1.5
496.08173	0.8
505.19009	2.6
507.06952	0.6
524.07288	1.0
525.08264	1.1
529.11578	0.6
539.09589	1.4
556.09479	1.1
557.10999	0.8
569.10730	1.6
582.11615	0.9
585.10303	3.3
587.15448	1.0
600.12915	3.3
615.14948	100.0
616.15082	3.2
624.08691	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04835	0.9
55.05505	3.0
57.07075	50.0
69.07076	8.3
69.33586	5.6
69.34016	5.5
71.08631	51.4
73.06551	7.8
78.34637	1.1
83.08610	3.1
84.64912	1.1
85.10184	32.7
87.04470	8.8
89.06030	100.0
91.07606	1.3
96.79822	0.9
97.10162	3.1
98.21458	2.4
99.11730	9.0
107.07040	5.8
111.11742	3.8
113.09572	1.1
113.13271	6.8
113.49232	1.2
117.09126	5.8
125.13255	2.1
127.14857	4.1
130.08662	4.0
131.07082	2.3
133.08601	71.9
135.10158	1.5
161.11711	2.0
164.72079	1.2
175.09610	1.9
177.11227	27.9
183.21130	3.7
193.04994	4.0
214.38080	1.2
221.13869	4.2
227.23779	1.5
239.09315	1.1
239.14941	2.9
271.26514	5.4
283.17560	2.0
315.28970	4.0
327.19977	1.8
371.22540	1.6
415.25314	5.5
417.34912	1.1
597.45642	6.5
614.47833	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	614.4833
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38794	1.1
55.05501	2.8
57.07073	54.7
61.40036	1.1
69.07068	6.4
69.70328	5.2
71.08629	49.5
73.06556	7.9
83.08609	3.5
85.10181	32.4
87.04473	6.2
89.06029	100.0
97.10151	3.6
99.11716	8.4
102.02582	0.9
106.22911	0.9
107.07059	4.6
111.11712	3.9
113.13297	6.3
117.09135	6.8
125.13277	2.4
127.14829	2.8
130.08635	2.4
131.07033	2.2
133.08600	71.2
135.10167	1.2
153.82288	1.0
161.11716	2.1
177.11215	24.6
189.80072	1.1
203.28409	1.1
221.13872	5.6
227.23682	1.6
239.14841	2.1
271.26340	3.1
283.17551	2.1
315.29013	4.1
327.20148	1.4
415.25299	4.8
473.90097	1.3
597.45795	6.6
614.48419	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	613.4825
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03918	4.1
55.05516	29.5
57.03426	9.5
57.07074	5.5
67.05508	85.5
69.07069	31.3
70.49886	10.8
79.05492	41.7
81.07057	90.3
83.08613	11.2
91.05478	27.8
93.07047	48.7
93.07968	3.5
95.04972	9.9
95.08608	72.9
97.06516	5.6
97.10155	9.2
100.18676	3.7
105.07028	35.0
107.08601	39.4
109.10160	32.7
117.07005	12.1
119.08601	34.0
121.10168	27.1
123.11700	13.5
129.06972	6.7
131.08548	30.9
133.10144	31.6
135.11691	24.2
140.91347	3.5
143.08560	9.1
145.10118	30.7
147.11696	26.7
149.13225	9.8
157.10143	10.1
159.11687	21.4
161.13239	18.3
163.14838	6.0
171.11717	13.7
173.13297	17.3
175.14789	10.8
177.16460	3.9
181.63768	3.2
183.11626	5.1
185.13181	9.0
187.14807	11.6
189.16385	6.6
197.13184	5.0
199.14767	7.4
201.16348	7.5
206.60533	3.0
213.16409	3.9
241.19600	5.0
259.20554	9.4
261.22180	18.0
303.14459	3.4
333.24252	9.1
335.25763	21.1
337.27332	11.8
349.27573	4.2
457.26743	3.7
459.29376	3.4
521.43707	10.0
595.47760	19.5
613.48273	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4822
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03938	1.4
55.01859	1.6
55.05510	10.3
57.03426	1.8
57.07074	3.6
65.03927	1.2
67.05502	22.2
69.07066	11.0
71.04983	1.4
71.08610	1.9
71.50707	0.7
71.51041	1.2
79.05492	13.9
81.07053	23.4
81.07526	1.3
83.04987	0.7
83.08623	6.2
85.06540	1.6
91.05473	13.0
91.82802	0.5
93.07045	14.3
95.04964	2.2
95.08604	15.6
97.06556	1.0
97.10170	3.2
99.08117	0.8
105.07024	15.7
107.08589	8.2
109.06498	1.0
109.10145	6.2
111.08114	1.1
111.11755	0.9
115.05352	0.7
115.56898	0.6
117.07015	6.3
118.09808	0.6
119.08583	17.4
121.10131	4.9
123.08058	1.2
123.11700	3.2
125.09639	1.3
129.07031	4.7
131.08559	14.1
133.10129	7.2
135.08040	0.7
135.11697	4.3
137.09627	1.1
137.13272	1.9
140.15817	0.7
141.06987	1.2
142.07727	0.9
143.08569	6.9
145.10114	12.9
145.11154	1.1
147.11679	3.7
149.13272	1.9
151.11203	1.2
153.07011	0.6
155.08536	3.0
157.10107	6.6
157.46382	0.7
159.11697	6.6
161.13232	5.0
163.11214	0.6
163.14813	1.2
164.95073	0.7
167.08453	0.7
169.10152	3.6
171.11693	4.8
173.11855	1.0
173.13242	5.2
175.14876	4.0
179.14326	2.2
181.10161	2.2
183.11694	2.6
185.13275	3.6
187.14777	4.2
189.16429	1.9
195.11752	1.7
197.13278	3.9
199.14836	4.0
201.12752	0.8
201.16339	3.4
209.13242	1.4
211.14789	1.6
213.14714	0.8
213.16316	3.1
215.18025	2.0
217.19545	1.8
219.17574	0.8
223.14870	1.2
225.16423	2.1
227.18051	1.5
229.19534	0.9
231.21196	2.6
237.16399	0.9
239.17949	1.1
241.19624	1.5
243.21124	1.6
245.22679	0.9
253.19548	0.7
255.21135	0.8
257.22595	0.8
261.22223	0.8
267.21106	0.8
269.22565	0.8
277.21634	3.8
281.22543	0.7
283.23978	0.7
299.23730	1.3
313.25119	1.4
315.23270	0.9
317.24927	0.8
327.26883	0.8
339.26620	0.8
369.31619	1.0
383.33212	1.2
395.33350	1.1
397.34964	1.1
401.93463	0.6
409.35159	1.1
419.33069	0.9
433.33615	0.9
437.33771	0.8
451.36133	1.0
501.35956	1.4
503.42676	2.2
515.37555	1.8
521.43579	12.7
529.38635	1.2
539.44751	5.4
577.46075	0.9
595.47266	8.0
613.48230	100.0
614.48602	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.2
57.07076	37.5
71.08630	28.3
71.59082	2.0
71.59463	1.7
73.06555	8.2
81.07051	1.9
83.08622	3.1
85.10187	22.6
87.04468	9.0
89.06032	100.0
91.05443	1.3
97.10149	2.5
99.11755	6.1
107.07069	6.0
117.09134	5.9
130.08676	3.8
133.08607	45.0
139.18231	1.6
155.17961	4.0
177.11256	9.9
202.44720	1.2
222.21887	1.4
243.23201	2.8
248.08701	1.4
613.37073	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	613.4825
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03947	3.4
55.01858	2.2
55.05511	27.0
56.22368	1.6
57.03439	9.7
57.07076	5.1
65.03928	3.8
67.05505	86.6
69.07066	31.2
71.05000	2.1
77.03915	2.4
79.05493	46.6
81.07057	92.7
83.05006	2.7
83.08614	12.5
85.06551	2.4
91.05477	32.2
93.07044	52.5
95.04967	5.0
95.08608	77.1
97.06527	6.9
97.10175	7.2
105.07033	40.5
105.07687	3.3
107.08591	35.4
109.10159	32.8
111.08120	3.5
117.07030	15.2
119.08579	34.9
119.09363	3.0
121.10142	32.5
123.11719	15.4
125.09589	2.3
129.06996	6.6
130.07848	2.7
131.08572	28.9
133.10135	32.4
135.11710	22.6
137.13274	4.9
142.07814	2.1
143.08543	8.6
145.10144	27.9
145.11165	3.4
147.11681	22.1
149.09697	2.3
149.13268	13.0
155.08588	3.6
157.10103	8.4
159.11682	22.1
161.13268	15.0
163.14821	6.4
169.10187	5.9
171.11673	10.6
173.13287	19.8
175.14882	6.9
183.11659	5.4
185.13254	9.0
187.14821	9.5
189.12839	2.1
189.16377	4.3
197.13330	2.9
199.14832	6.4
201.16449	5.3
211.14760	1.8
213.16438	3.0
215.18117	2.3
225.16502	2.8
229.19583	2.4
241.19713	4.1
243.21181	2.0
257.19031	2.7
259.20599	11.8
261.22113	15.8
273.22208	3.5
285.22092	2.0
287.23691	2.5
299.23837	1.8
315.26883	2.3
317.24783	2.3
333.24326	7.0
335.25830	17.3
337.27292	14.4
355.30078	2.2
521.43640	9.2
532.77435	2.2
539.44647	2.3
572.45569	2.1
595.47540	10.7
613.48242	100.0
614.48822	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	613.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
63.07579	5.4
65.03931	9.2
67.67503	5.2
68.99755	6.6
69.28605	6.0
70.06586	6.7
85.02944	8.5
85.27987	6.2
86.09736	7.3
94.35997	6.6
95.31496	6.3
97.02885	6.1
107.04942	8.9
111.04453	6.0
121.02872	100.0
123.04399	12.7
133.06508	6.7
135.04387	8.4
139.03891	9.7
147.04366	6.0
153.01799	12.2
163.03871	31.2
195.03024	11.5
219.03098	8.8
229.84853	7.5
231.02646	7.5
245.04628	9.6
247.06010	8.3
249.03987	7.8
261.03986	8.8
271.06107	8.2
285.04117	8.0
287.05621	8.2
303.04660	7.9
325.06955	8.8
363.07080	10.2
379.07825	8.0
391.57214	6.3
427.10080	10.1
439.10239	7.1
441.09845	10.7
457.11246	13.3
541.12750	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	613.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
55.01876	0.9
65.03949	2.6
67.05489	0.9
69.03400	0.5
70.06561	0.5
70.23185	1.0
70.23575	1.0
73.38309	0.4
77.03901	0.4
78.04711	3.0
79.05466	1.5
81.03393	0.6
81.07066	0.7
82.04173	0.8
85.02883	1.8
86.66878	0.4
91.05476	5.0
93.03396	0.4
95.04952	1.6
97.06532	0.8
98.20824	0.5
103.05470	2.0
105.00458	0.4
105.07040	0.5
106.04152	1.9
107.04951	1.7
110.03663	1.3
111.04461	1.0
115.05447	5.3
117.07021	8.8
119.04918	4.0
121.06499	0.6
122.03625	1.4
123.04430	8.0
124.05219	3.0
125.05988	0.9
127.05485	1.0
131.04909	0.9
132.05743	0.5
133.02852	0.5
135.04420	0.7
137.02376	0.6
137.05974	14.3
138.03120	0.5
142.02676	0.5
143.04916	1.0
145.06485	14.7
147.04405	4.4
147.08055	0.7
147.86598	0.5
148.67346	0.5
149.06047	0.5
151.03914	2.3
151.07521	1.1
152.04688	2.8
153.05446	2.0
155.04988	0.5
155.06055	4.3
165.05444	0.5
167.07037	100.0
168.07329	0.7
171.06476	2.0
173.05991	20.9
175.07497	0.8
177.05513	0.5
179.07060	1.6
181.04956	29.1
183.36995	0.4
190.06256	0.7
191.06999	0.7
201.05447	0.6
203.07031	1.4
205.08601	4.8
221.07959	0.7
233.08029	6.2
235.07481	0.8
235.09650	5.3
263.06949	0.5
265.08530	0.7
295.09546	0.5
305.76044	0.4
307.09747	0.5
325.10785	0.6
337.23645	0.4
353.45007	0.5
357.13354	4.3
385.12836	16.6
386.13547	0.7
387.14407	10.0
389.58206	0.5
417.15439	16.9
583.21558	2.2
613.22754	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	613.2278
Annotation	Divinyl chlorophyllide a
Peak:m/z	Relative Intensity
53.03932	0.9
53.70879	0.3
55.01857	0.9
58.34451	0.4
59.60679	0.4
61.78874	0.3
65.03943	2.6
66.04689	0.4
66.23839	0.4
67.05473	1.1
69.03385	0.7
69.07050	0.5
69.36309	0.4
69.71349	2.7
78.04704	3.3
78.71305	0.4
79.05466	1.8
81.03400	0.9
82.04182	0.7
85.02882	1.4
87.54179	0.4
91.05464	4.6
93.03399	0.7
94.04147	0.5
94.29659	0.4
95.04963	2.3
97.06522	0.9
103.05482	2.7
105.03411	0.4
105.04489	0.4
105.07053	0.8
106.04147	1.5
107.04958	2.7
109.02832	0.6
109.06464	0.6
110.03635	1.5
111.04427	1.4
115.05458	6.1
116.06178	0.4
117.07001	9.1
119.04948	3.8
121.06481	0.6
122.03629	1.1
123.04430	7.7
124.05225	3.4
125.05967	1.6
127.05420	1.4
131.04910	1.6
133.02852	1.0
133.06445	0.4
135.04407	0.9
137.05977	11.5
138.03102	0.5
142.02611	0.6
143.04926	1.0
144.84448	0.5
145.06479	16.2
147.04393	4.7
147.08080	0.7
149.05995	0.5
151.03929	4.5
151.07555	0.7
152.04692	2.9
153.05501	2.8
153.06516	0.6
155.04926	0.7
155.06015	3.4
161.05975	0.7
165.05527	0.9
167.07034	100.0
168.07402	1.1
171.04318	0.6
171.06508	2.3
173.05975	21.9
174.06703	0.6
175.07558	1.5
177.05472	0.6
179.06996	1.7
181.04948	35.8
182.05252	0.5
190.06319	0.4
191.07054	2.7
195.06551	0.5
201.05577	1.0
203.07001	1.7
205.08611	5.6
207.06390	0.6
219.06432	0.5
221.08058	0.4
231.06528	0.5
233.08069	6.4
235.09613	6.8
238.06015	0.5
263.07043	0.5
265.08768	0.9
266.05704	0.7
286.94357	0.5
293.08008	0.5
297.11115	0.5
299.09140	4.2
309.07779	0.5
314.11758	0.5
325.10703	0.5
342.10959	0.4
353.10309	0.6
355.11768	0.5
357.13351	4.0
369.13412	0.5
381.13297	0.8
385.12811	21.6
386.13077	0.6
387.14313	9.1
417.15414	14.0
515.16785	0.4
528.41132	0.4
583.21423	2.9
613.22766	34.3
614.22949	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.17
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.0
55.05504	1.2
58.10157	0.7
67.05504	2.6
70.39175	0.6
76.64351	0.6
79.05493	1.5
80.20528	0.6
81.03400	1.2
81.07063	1.8
83.04963	0.7
91.05473	1.5
93.62402	0.7
95.04977	1.8
95.08630	0.8
105.07007	0.8
107.04951	6.5
107.08620	1.0
109.10116	0.9
120.26138	0.8
123.04405	2.1
131.15399	0.6
133.02846	1.8
134.03648	1.7
139.07503	0.9
146.03633	0.7
147.04402	5.6
153.05463	3.9
162.03171	1.2
164.04610	0.8
167.07047	2.8
175.03938	0.9
177.05470	2.0
181.04988	1.9
181.06404	0.9
182.07182	1.0
184.05249	1.3
185.06021	1.2
196.05205	2.8
197.05974	1.4
210.06766	3.6
211.07436	0.9
212.04637	0.9
213.05469	1.8
221.05981	2.0
225.05510	1.0
227.07065	1.1
237.05595	3.9
238.06247	13.2
239.07031	1.7
241.04915	4.8
249.05388	3.5
253.04956	1.3
255.06535	2.7
256.07278	1.3
257.04550	1.1
259.09518	0.9
265.04974	3.0
266.05725	16.2
267.06555	6.0
269.04449	6.3
271.05844	0.9
272.06766	0.9
281.04346	1.2
283.06015	13.2
284.06757	25.2
285.07529	2.3
287.09259	1.3
299.09122	100.0
300.09619	1.6
327.08627	1.3
451.13715	1.3
459.10519	3.0
479.13605	1.5
613.16919	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	1.1
71.59764	0.8
79.05511	0.8
81.07068	0.8
81.61861	0.5
91.05492	1.0
93.07040	0.8
95.04962	0.8
107.04951	10.6
107.05621	0.8
107.08639	0.5
119.08531	0.6
121.92080	0.5
123.04424	1.8
129.67123	0.4
130.89380	0.5
133.02831	1.7
133.10190	0.8
134.03674	1.3
135.04430	1.1
137.02354	1.7
138.03137	1.2
147.04427	4.6
153.05464	5.8
163.03897	0.7
165.25458	0.4
166.02602	0.7
167.07039	0.7
177.05434	1.4
181.04984	5.4
181.06433	0.6
184.05237	1.5
196.05228	1.2
197.05937	0.8
201.05354	0.5
206.44637	0.5
209.06096	0.8
210.06807	3.1
211.07565	0.5
212.04718	0.8
213.05522	1.7
221.06050	1.5
227.07060	1.3
237.05434	3.8
238.06245	9.5
239.06950	1.4
241.04932	2.5
249.05492	2.8
255.06548	3.3
256.07309	1.0
257.04404	1.2
259.09766	1.6
265.04913	2.3
266.05737	12.3
267.06403	4.3
269.04483	4.2
272.06781	1.4
283.06024	11.6
284.06805	16.9
287.09161	5.9
299.09140	100.0
300.09583	3.1
386.70114	0.5
465.08762	0.5
595.15472	0.8
605.97827	0.5
613.20978	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	613.17
Annotation	Unknow
Peak:m/z	Relative Intensity
60.66273	0.4
66.02466	0.4
67.05484	0.6
69.61637	2.5
69.62057	0.9
72.58180	0.4
79.05486	0.8
81.07035	0.5
91.05477	1.2
95.04955	0.5
98.20837	0.7
105.07044	0.7
107.04942	1.0
109.02872	0.4
111.04372	0.4
115.05471	0.6
117.06972	0.5
119.04987	0.5
121.06526	0.7
123.04428	1.1
131.08528	0.5
133.02936	1.0
137.05991	2.1
139.03897	1.1
145.06480	0.9
147.04420	0.9
148.05109	0.4
151.03911	1.3
153.01894	0.6
153.05502	0.7
162.03134	0.5
163.03891	1.5
167.03360	0.6
167.07059	4.5
173.06010	1.1
177.05475	1.5
181.05032	2.3
184.05212	0.5
191.07068	0.5
191.84137	0.5
197.06015	0.7
201.05424	0.6
202.65161	0.5
203.07060	0.6
225.05463	0.5
227.03241	0.5
237.05469	0.6
267.06641	0.6
282.05081	0.5
283.06033	0.9
287.07010	0.6
299.09366	0.7
323.09241	0.7
329.08237	0.7
341.08224	0.8
343.05969	0.5
345.07816	0.7
356.06845	1.0
357.07727	0.9
357.13132	0.5
358.08453	0.7
361.07111	1.0
373.07199	0.9
374.08069	0.8
385.12958	0.9
387.08594	0.8
387.14261	1.2
389.10428	2.8
391.08911	0.7
403.08322	0.9
405.09534	0.6
417.15683	1.2
419.11496	1.0
427.08557	0.9
431.11679	1.0
441.09668	0.8
448.09592	1.0
449.10339	1.2
459.10248	0.9
465.09528	1.0
466.10168	1.0
477.09647	1.2
493.09125	0.8
494.09735	0.8
504.08270	0.5
505.08823	0.8
509.12659	1.1
519.10602	1.6
520.11493	0.8
522.09717	1.2
523.10999	0.5
527.13123	0.6
534.13257	2.0
535.13684	1.4
536.11316	0.6
537.11938	4.6
539.10162	0.7
540.10529	1.0
545.12653	0.7
547.10394	1.4
548.10883	0.8
550.09076	1.6
551.13306	1.9
552.14063	1.0
553.14758	0.9
554.12048	1.5
555.12836	4.3
562.12433	1.5
563.13513	3.3
565.11383	4.1
569.14319	5.1
579.12775	2.7
580.14050	2.7
581.14191	1.3
583.12640	1.1
585.17133	2.3
595.15942	19.7
595.25470	1.0
596.16626	1.0
597.14178	0.7
598.14532	0.9
613.17023	100.0
614.17181	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	613.17
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.9
65.03955	1.0
65.04296	0.7
67.05503	1.5
69.03422	0.8
71.58862	1.2
77.70427	0.6
79.05499	1.2
79.39347	0.6
81.03410	1.1
85.02901	0.9
91.05478	2.2
93.07043	1.1
95.04984	0.9
95.87220	0.7
100.76124	0.8
105.07048	1.5
107.04958	1.5
107.08562	0.7
109.10169	1.2
116.60349	0.9
117.07037	1.0
119.04966	1.3
119.08589	1.3
120.08131	1.2
123.04437	1.6
124.07606	0.7
125.06011	0.8
133.02867	1.5
133.06485	0.7
135.04465	1.0
137.06003	2.1
139.03906	2.3
145.06480	1.2
146.06013	2.7
147.04433	1.9
147.08075	0.7
148.05338	0.7
151.03899	1.3
153.05461	0.8
161.05956	1.1
163.03914	2.0
164.07100	0.9
165.05547	0.8
166.08676	1.0
167.07016	5.5
173.05965	1.1
177.05515	1.9
181.04933	4.4
183.06909	0.6
191.07050	1.2
193.12190	0.7
197.06096	0.8
211.12126	0.8
211.29555	0.7
213.05515	1.3
221.06061	0.8
225.05508	1.0
235.09750	1.1
237.05489	1.6
239.11829	1.5
249.05548	1.0
253.13281	1.7
269.12891	1.8
271.14410	1.2
283.14487	2.0
295.05991	1.6
297.12378	1.1
321.07852	1.0
323.09732	0.9
327.06482	1.1
343.05963	0.9
355.06085	0.8
356.06821	0.9
357.07620	1.2
369.07678	1.2
374.07941	1.3
378.08276	0.9
385.07132	0.8
385.12643	1.2
387.08755	1.8
387.14185	1.3
389.10641	1.1
421.10913	0.8
431.11200	1.1
459.10223	1.2
477.09653	1.1
483.10455	0.9
505.08633	1.1
509.12677	1.4
518.10522	1.1
519.10791	1.0
522.09039	0.9
525.07397	1.0
527.12970	0.9
534.13336	1.0
537.11304	3.4
547.10333	1.1
551.13013	2.2
552.14191	1.1
554.12170	1.5
555.13043	2.3
562.12598	1.1
563.13251	2.4
565.11377	2.7
569.14618	3.6
569.27600	12.2
579.12610	2.2
580.13678	1.3
581.14301	1.7
585.17621	2.3
595.15936	28.3
595.25531	1.6
598.14899	1.0
613.17023	100.0
614.17474	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	612.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	11.9
55.01867	7.6
55.05509	34.3
57.03429	18.1
60.90033	6.6
63.71975	5.7
64.01330	6.2
65.03931	5.8
65.27884	5.1
67.05503	71.5
69.03469	7.2
69.07056	26.6
71.04968	10.7
71.59282	10.1
73.70831	6.0
77.00896	6.8
79.05141	6.7
79.05499	79.3
81.03423	50.8
81.06644	9.0
81.07063	100.0
83.04967	25.1
83.08631	33.9
85.02908	21.7
91.05465	82.9
93.07050	64.2
95.01946	17.5
95.04958	28.9
95.08602	38.1
97.06548	14.3
97.10172	14.3
99.08080	8.8
103.49274	5.4
105.07057	42.8
105.07648	8.2
107.04920	17.3
107.08600	40.8
108.49606	5.9
109.10126	14.7
111.08088	18.2
117.06973	15.7
119.08596	41.3
121.06463	7.0
121.10127	23.8
125.09613	12.7
129.06998	23.9
131.08514	30.9
133.10152	29.0
135.11681	14.2
145.10097	11.6
147.11659	25.5
149.09573	20.6
149.13225	5.8
157.10109	12.6
159.11661	10.5
161.13188	6.1
173.13261	7.2
175.11154	18.5
193.12253	50.1
211.13246	55.1
255.15877	10.3
257.19159	6.7
267.15912	20.4
269.17523	9.4
269.84354	6.2
275.20062	33.5
285.16953	37.0
299.09055	6.8
299.18573	12.0
300.18851	19.2
315.18069	8.4
316.18240	16.6
317.19562	22.2
318.19849	57.0
335.20642	15.9
336.20966	32.0
341.21405	14.7
349.23660	18.6
374.69434	6.5
461.28903	13.9
463.29343	5.9
465.28363	10.2
479.30124	35.7
559.36755	10.4
574.98193	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	611.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15228	11.7
64.36410	12.2
67.05495	30.9
68.89596	11.0
69.07059	15.0
69.42519	100.0
79.05491	20.7
81.07038	38.1
83.08625	15.5
87.83600	10.5
91.05440	19.5
93.07037	31.2
95.08593	15.4
105.07024	23.5
105.29097	10.1
107.08556	15.6
114.74639	10.5
117.06935	11.3
119.08549	17.1
126.26310	10.3
131.08517	14.9
133.10150	12.9
135.11711	11.8
143.12337	9.9
145.10031	13.2
169.06351	11.3
173.04985	10.8
181.13718	10.3
181.31767	11.6
307.04996	12.4
390.66223	11.1
611.47156	64.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55151	4.6
53.03942	5.1
55.05517	27.9
57.03428	9.8
57.07054	5.6
63.01510	6.4
67.05507	63.6
69.07068	27.6
69.53152	43.6
71.08620	10.3
79.05487	45.3
81.07048	64.0
83.08620	7.5
89.06007	11.3
89.63739	6.0
91.05473	35.1
93.07051	55.9
95.04958	12.5
95.08597	51.4
97.06543	5.7
97.10178	9.1
105.07021	31.7
107.08593	31.2
109.10157	20.4
117.07014	14.4
119.08614	41.4
121.10152	21.7
129.06998	14.7
131.08559	26.8
133.10129	27.7
135.11676	20.6
143.08545	12.5
145.10123	25.0
147.11703	11.1
149.13380	5.3
155.08574	9.5
157.10078	23.2
159.11696	20.6
161.13240	13.1
169.10181	7.5
171.11728	12.6
173.13266	14.8
175.14870	7.4
179.14334	6.9
183.11734	8.7
185.13342	8.5
187.14861	8.9
241.19591	6.7
259.20633	18.8
277.21619	10.8
333.24130	11.2
333.32504	5.5
335.25751	21.0
358.57086	5.9
384.58453	5.4
519.41522	9.3
551.98053	5.2
574.82452	6.0
593.45251	8.5
611.46686	100.0
613.01239	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	611.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00230	3.4
55.01855	4.6
55.05511	26.8
57.03425	5.4
57.07069	31.0
67.05504	50.6
69.07060	24.3
69.26555	47.7
70.37192	3.4
71.08628	30.3
71.80776	3.4
73.06543	7.6
77.03751	3.8
79.05486	39.6
81.07056	51.4
83.04962	4.6
83.08624	11.6
85.10169	13.8
87.04461	3.9
89.06036	56.1
90.62029	3.9
91.05481	35.2
93.07050	49.3
95.04957	6.1
95.08608	40.5
97.10150	8.8
105.07037	43.0
107.02161	3.8
107.08590	27.2
109.10164	15.1
117.07002	14.5
117.09116	3.7
119.08587	29.2
121.10128	17.6
126.00764	3.6
129.06966	8.8
131.08556	25.0
133.08614	27.9
133.10127	23.6
135.11716	9.8
143.08553	15.4
145.10104	22.9
147.11691	22.0
149.13211	9.2
155.08563	9.1
156.09161	3.7
157.10126	17.8
159.11699	14.2
161.13225	11.2
167.08696	4.3
169.10165	8.9
171.11681	12.9
173.13303	10.7
177.11229	10.3
179.14340	6.0
181.10085	4.0
183.11668	4.9
185.13287	10.9
187.14838	4.7
195.11899	4.8
197.13286	6.1
199.14789	8.5
201.16374	6.5
213.16402	6.1
213.96008	4.0
223.14619	4.0
235.05315	3.8
239.18173	4.4
241.19537	6.3
257.19193	4.2
259.20657	11.2
262.73456	4.6
335.25787	8.7
343.19812	3.6
436.74411	4.4
519.41449	7.3
537.42853	4.0
611.46558	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83841	1.5
53.03941	2.7
55.05509	16.5
57.03429	4.4
57.07053	3.4
65.03918	2.8
66.90295	1.2
67.05504	40.1
69.07062	16.8
70.84476	2.9
71.04984	1.3
79.05489	30.2
81.07049	42.6
83.04955	1.6
83.08601	7.6
85.06543	2.2
91.05476	24.4
93.07040	35.9
95.04963	4.4
95.08601	34.2
97.06525	2.9
97.10175	2.9
105.07024	32.9
105.81033	1.4
107.08576	16.7
109.06497	2.0
109.10149	14.2
111.08076	2.4
115.05497	1.6
117.06985	13.3
119.08581	26.0
121.10131	15.4
123.11686	3.7
124.87522	1.6
125.09635	2.0
128.06213	1.9
129.07018	10.2
131.08569	23.5
133.10130	21.5
135.11682	13.8
137.13264	3.9
141.06969	1.9
142.07774	2.6
143.08546	12.4
145.10126	22.1
147.11665	15.9
149.13257	7.0
154.07686	1.7
155.08586	5.4
156.09323	1.4
157.10135	12.8
159.11690	18.2
161.13251	12.9
163.14816	3.7
169.10115	8.3
170.10930	1.6
171.11685	15.5
173.13261	12.9
175.14857	5.3
181.10176	2.6
183.11693	9.7
185.13258	11.0
187.14830	5.8
189.16423	2.5
195.11688	2.0
197.13300	3.7
199.14825	7.9
201.16454	3.9
209.13316	1.6
211.14873	4.9
213.16426	5.5
215.17976	3.0
223.14748	1.6
225.16449	2.9
239.18016	2.2
241.19571	8.8
243.21158	2.1
251.18025	1.8
257.18991	2.2
259.20557	16.3
261.22202	4.1
273.22128	1.5
277.21573	1.9
283.20541	1.5
299.23770	1.5
325.25308	2.9
333.24191	7.5
335.25778	10.6
339.26685	1.7
353.28305	2.3
367.29947	2.0
519.42255	7.8
537.42902	5.5
593.45770	4.7
611.46661	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07206	3.0
55.05501	8.5
57.03433	3.8
67.05506	21.4
67.74325	3.1
69.07059	8.4
69.85179	19.9
77.00893	12.3
79.05494	16.5
81.03407	9.4
81.07048	21.0
83.08613	9.8
91.05452	16.7
93.07049	20.1
93.70805	3.0
95.01330	5.7
95.01926	13.7
95.04951	5.1
95.08622	16.4
103.48864	2.8
105.07014	10.1
107.04961	3.7
107.08595	10.2
109.10165	9.8
109.27872	3.2
118.16027	2.5
118.74963	2.8
119.08580	5.8
121.10162	6.2
123.51978	2.8
124.62437	3.1
131.01913	7.2
131.08566	5.8
133.10081	6.9
135.11717	4.5
136.06230	4.1
143.08510	3.9
145.06471	3.4
145.10059	5.3
147.04410	14.8
147.11601	4.0
149.02943	8.5
159.11710	4.0
185.69006	2.7
193.12054	3.8
215.11319	6.5
220.11920	3.6
247.11670	4.3
259.13324	11.5
275.19778	4.4
299.18558	57.5
315.18161	20.3
317.19592	100.0
318.20026	4.4
319.21088	5.6
333.17380	10.3
334.17709	4.9
335.20645	30.9
335.25717	5.2
340.21246	19.8
358.22607	5.6
575.39172	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	611.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07206	3.0
55.05501	8.5
57.03433	3.8
67.05506	21.4
67.74325	3.1
69.07059	8.4
69.85179	19.9
77.00893	12.3
79.05494	16.5
81.03407	9.4
81.07048	21.0
83.08613	9.8
91.05452	16.7
93.07049	20.1
93.70805	3.0
95.01330	5.7
95.01926	13.7
95.04951	5.1
95.08622	16.4
103.48864	2.8
105.07014	10.1
107.04961	3.7
107.08595	10.2
109.10165	9.8
109.27872	3.2
118.16027	2.5
118.74963	2.8
119.08580	5.8
121.10162	6.2
123.51978	2.8
124.62437	3.1
131.01913	7.2
131.08566	5.8
133.10081	6.9
135.11717	4.5
136.06230	4.1
143.08510	3.9
145.06471	3.4
145.10059	5.3
147.04410	14.8
147.11601	4.0
149.02943	8.5
159.11710	4.0
185.69006	2.7
193.12054	3.8
215.11319	6.5
220.11920	3.6
247.11670	4.3
259.13324	11.5
275.19778	4.4
299.18558	57.5
315.18161	20.3
317.19592	100.0
318.20026	4.4
319.21088	5.6
333.17380	10.3
334.17709	4.9
335.20645	30.9
335.25717	5.2
340.21246	19.8
358.22607	5.6
575.39172	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	611.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.0
63.40989	0.7
64.28055	0.8
67.05495	1.3
71.58718	0.9
71.59078	0.8
79.05494	1.3
81.07039	1.5
89.03918	5.5
91.05473	3.0
93.07039	1.5
104.10731	1.0
104.67445	0.8
105.07014	1.1
117.03384	18.1
119.04908	3.9
134.03621	0.8
135.04401	1.3
145.02847	41.2
147.04428	14.8
149.06000	6.7
154.94214	1.2
162.22453	0.8
165.05400	1.5
172.95290	2.7
177.05470	100.0
186.05516	2.8
190.96280	3.4
228.97905	1.8
271.14642	1.0
281.07990	1.4
611.24957	5.6
611.35486	4.8
611.45203	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1603
Annotation	Rutine
Peak:m/z	Relative Intensity
57.03429	3.0
67.74673	0.4
69.03407	0.4
69.88599	1.7
69.89014	1.0
71.04993	18.6
73.02893	0.5
75.04463	0.6
84.85259	0.4
85.02905	19.7
86.08577	0.4
87.04429	0.5
95.04941	0.5
98.20795	0.5
109.02819	0.6
111.00812	0.9
121.02871	1.5
123.04415	0.5
127.03900	1.3
129.05460	4.4
137.02351	3.8
139.03912	1.1
147.06508	1.1
153.01825	3.4
163.03929	0.7
165.01842	2.1
167.03394	0.5
174.29305	0.5
179.03389	0.6
183.02905	0.8
201.05421	1.3
213.05406	0.7
229.05005	3.4
247.05951	0.5
257.04474	2.3
272.84161	0.4
275.06036	0.5
285.03922	1.5
287.05484	11.3
303.04987	100.0
304.05356	1.7
345.06064	0.6
449.10434	0.8
465.10315	13.0
501.65042	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.7
56.98611	2.1
61.02914	2.7
61.96740	2.4
66.45323	2.2
68.11465	2.5
69.03423	6.1
70.06581	2.5
71.04990	7.8
71.31869	6.0
72.08157	3.2
81.03422	3.8
81.57185	2.3
85.02908	21.6
85.38484	3.2
86.09721	2.8
87.00822	4.7
91.05444	3.0
94.04170	3.1
95.04960	3.8
97.02888	6.6
98.09737	3.4
103.05473	7.5
105.01847	5.5
105.07026	4.0
107.04958	4.8
109.02878	6.9
117.07023	2.8
117.93359	2.8
121.06493	3.6
122.03646	10.4
127.03912	11.6
131.04901	11.4
133.06487	16.7
135.08031	7.9
137.05974	100.0
139.03883	4.0
145.05009	2.7
145.06430	3.8
147.04402	7.9
149.05977	2.6
151.07535	8.1
153.01819	4.4
161.05951	6.9
163.07544	24.5
171.08128	2.8
175.07555	4.3
187.07530	4.7
203.10828	4.0
231.04890	2.7
264.97693	2.6
287.05472	28.7
288.05704	3.1
295.13297	9.9
303.04913	43.6
327.15662	13.3
417.92340	2.5
425.08289	2.8
555.91278	2.5
612.30127	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1601
Annotation	Rutine
Peak:m/z	Relative Intensity
53.23715	0.5
57.03418	2.2
60.44569	0.7
61.02898	0.7
63.07637	0.9
69.03409	0.7
69.24239	0.7
70.91159	1.6
71.04996	11.1
79.26398	0.6
81.03416	0.8
82.06522	0.6
83.04965	0.8
85.02908	17.2
97.02898	1.6
109.02913	0.7
111.04450	0.6
117.99570	0.6
121.02966	0.7
122.50301	0.6
127.03902	1.1
129.05507	3.6
137.02347	2.4
137.06004	1.0
142.77315	0.6
147.06540	1.1
153.01788	3.2
163.03877	0.9
165.01851	1.7
201.05611	1.6
227.52084	0.7
229.05034	3.4
257.04391	2.4
261.63654	0.8
285.04105	1.3
303.04987	100.0
304.05289	2.6
465.10010	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1604
Annotation	Lucenin-2
Peak:m/z	Relative Intensity
51.66773	2.3
57.03417	3.2
59.25711	2.3
61.02918	2.8
71.04871	4.0
71.05217	3.2
73.02951	2.5
81.03400	4.1
82.61565	2.2
84.04458	2.6
85.02910	11.4
92.29043	2.2
97.02885	4.8
109.02872	6.5
121.02863	5.7
123.04466	6.0
126.05524	4.0
127.03934	4.4
135.04414	7.4
137.02335	23.6
139.03902	6.6
147.04477	3.4
153.01834	6.0
161.02330	4.2
172.30177	2.3
179.03398	4.6
185.05977	3.0
189.01848	5.5
191.03384	6.5
195.02896	8.7
201.05568	2.5
203.03389	9.2
207.02914	5.9
215.03339	2.8
217.05009	4.4
219.02844	4.8
221.04427	4.0
223.51550	2.3
229.05156	2.6
241.05006	2.9
255.02818	4.1
257.04575	5.0
273.04031	3.0
283.06113	4.1
287.05505	100.0
295.05939	3.8
296.06729	2.4
297.07718	4.5
299.05417	7.5
309.07568	3.8
310.04678	21.0
311.05536	61.6
312.06216	8.7
313.06985	9.3
323.05475	41.8
324.06409	11.9
325.07068	9.6
329.06403	4.1
333.07474	3.5
335.05481	7.2
335.09247	2.7
336.06207	3.4
337.07104	18.4
338.07703	7.7
339.08646	4.1
341.06555	80.8
349.07053	5.2
351.08698	11.8
352.05920	3.9
353.06497	47.0
353.10562	3.3
363.08554	10.7
365.06546	27.7
367.08130	18.7
371.07565	16.7
377.06516	13.5
379.08173	5.0
381.09790	13.0
383.07571	4.3
389.06464	3.4
390.06705	3.1
391.08173	9.3
395.07620	43.7
405.09869	3.4
407.07657	27.7
409.09494	3.2
419.07492	18.6
425.08688	36.2
431.08325	4.5
433.08780	3.1
437.08597	21.8
443.09692	31.0
449.10193	7.4
455.09778	22.0
461.09241	3.4
473.10797	69.1
474.10660	3.4
479.09897	4.1
491.11676	11.1
497.10623	25.8
515.11823	15.3
521.10956	7.7
527.11530	14.8
539.12091	17.6
557.13177	18.6
574.91760	2.5
575.14124	17.6
593.14789	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	611.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	0.9
55.01871	1.3
65.03950	1.0
66.26241	0.9
68.99791	6.1
71.56477	2.0
81.03420	4.0
95.04947	1.3
97.02859	0.9
99.04438	1.0
105.03378	1.1
107.04943	1.4
109.02901	4.6
110.63517	0.8
111.00794	6.8
111.04443	1.3
119.04963	1.1
121.02872	2.1
123.04418	12.1
127.03912	95.8
128.04214	1.2
131.04904	1.1
133.02829	2.5
135.04402	3.0
139.03897	100.0
140.04128	1.1
147.04402	7.4
147.05453	1.2
149.02332	1.4
149.05977	1.2
151.03899	31.6
153.01848	1.4
153.05458	1.4
155.03349	1.2
159.04492	1.5
161.05951	1.4
163.03889	10.3
165.05473	1.8
167.03426	4.8
169.04927	2.4
171.04382	1.3
175.03896	13.7
177.05511	5.4
179.03387	38.7
181.04976	4.4
183.04373	1.2
185.06006	2.5
187.03865	2.0
189.05418	2.9
191.03419	9.0
193.04932	3.6
195.06531	0.9
199.03909	2.0
201.05424	5.2
203.03381	18.2
203.07156	0.9
205.04988	2.9
213.05385	5.7
215.03339	1.8
217.04965	4.1
219.06554	1.0
229.04897	4.8
231.06490	3.1
233.04527	5.0
241.04898	3.4
245.04475	9.8
247.06023	1.8
251.05519	1.6
257.04474	11.3
258.05026	1.3
259.06018	3.2
263.05505	14.7
269.04453	2.9
271.06006	4.2
275.05475	16.1
287.05484	38.3
289.06970	2.1
299.05469	18.5
301.06790	1.1
303.05042	1.9
305.06442	6.1
307.08087	6.9
311.05524	1.4
317.06534	14.4
322.56915	0.9
335.08728	0.9
385.35931	1.0
407.07574	3.0
425.08661	16.9
443.09726	7.5
467.09479	1.0
471.27325	1.0
635.80005	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1603
Annotation	Cyanin
Peak:m/z	Relative Intensity
50.19966	0.8
54.66568	0.8
57.03425	1.1
60.68368	0.7
61.02926	1.2
69.03430	3.2
70.71156	1.6
72.43616	0.8
73.02933	1.2
74.23924	0.8
81.03416	1.6
85.02904	14.6
90.48677	0.8
91.03971	1.0
97.02890	3.7
98.18285	0.8
109.02888	1.4
111.00843	1.4
121.02121	0.8
121.02896	3.3
127.03928	2.7
127.06195	0.8
132.08067	0.8
137.02345	0.9
145.04979	2.2
153.01884	4.3
165.01863	2.7
183.02869	1.8
253.90001	0.8
258.05356	1.2
283.05975	0.9
287.05505	100.0
288.05704	1.8
299.05579	1.8
303.04959	7.8
311.05707	1.3
328.75006	0.9
329.06464	2.6
353.06656	1.1
449.11096	1.1
450.00171	0.9
622.75195	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1392
Annotation	Kaempferol 3-(6''-caffeoylglucoside)
Peak:m/z	Relative Intensity
53.00296	1.4
55.01873	1.2
57.03418	1.2
61.02914	1.0
65.03921	2.2
68.99783	5.6
69.03411	2.2
69.19189	0.7
70.06587	0.9
71.04996	5.3
71.57162	1.7
81.03408	2.6
81.35312	0.7
85.02903	10.4
89.03899	0.8
93.03403	1.2
95.04975	0.7
97.02892	1.5
99.04435	1.0
107.04956	2.9
109.02863	2.8
111.00804	4.7
111.04443	1.5
119.04966	0.8
121.02890	4.5
123.04397	8.1
126.41245	0.8
127.03912	47.3
133.02809	2.6
135.04424	4.0
137.02324	2.8
139.03899	85.9
140.04167	1.0
145.34157	0.9
147.04391	6.4
149.02310	1.9
151.03899	21.6
153.01831	4.2
153.05432	0.9
155.03401	1.3
159.04317	1.2
159.87575	0.7
161.05963	1.9
163.03888	11.7
165.01759	1.3
165.05443	1.5
167.03371	2.1
171.04402	1.7
173.05919	1.5
175.03900	9.7
177.05449	4.0
179.03391	29.0
181.04979	6.3
185.05981	1.4
187.03841	1.0
189.05463	3.3
191.03400	4.9
193.04945	6.5
197.06065	0.9
199.03897	1.5
201.05469	3.4
203.03386	18.7
205.05023	1.7
213.05453	3.1
215.03271	1.1
217.04865	4.6
219.06387	0.9
229.04922	5.9
231.06517	2.5
233.04465	2.5
241.04880	3.8
245.04439	14.2
257.04428	16.7
258.05106	1.3
259.06125	1.9
263.05524	6.9
269.04465	2.9
271.05997	3.8
275.05457	13.8
277.06915	1.2
283.06024	0.9
285.04004	0.9
287.05493	100.0
289.06934	2.2
299.05499	16.4
301.07166	1.0
303.01520	1.7
303.04971	29.5
305.06409	3.7
307.07971	2.9
311.05432	3.0
317.06549	12.4
319.07953	1.1
329.06442	1.5
407.07697	1.6
425.03094	1.4
425.08655	24.3
437.08893	2.4
443.09540	5.9
449.10004	2.8
455.09576	2.3
465.09985	3.0
467.09756	4.1
525.97205	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1393
Annotation	Helichrysoside
Peak:m/z	Relative Intensity
53.03937	0.4
53.51958	0.2
58.95243	0.2
63.94126	0.2
65.03927	0.9
68.46540	0.2
69.03429	1.0
69.52439	1.2
69.52855	0.5
73.79741	0.2
79.05470	0.2
81.03416	3.9
85.02899	0.9
91.05476	10.5
95.04928	0.2
97.02876	0.4
97.98660	0.2
99.04422	0.3
107.04926	0.2
109.02855	1.4
110.89526	0.2
119.04935	23.0
120.05319	0.2
127.03896	0.6
135.04367	0.3
137.02339	0.8
137.05971	0.2
145.02841	0.2
147.04402	100.0
148.04738	0.7
148.55962	0.2
153.01808	0.9
163.03912	1.4
164.38385	0.2
165.01831	0.6
165.05481	2.7
167.07021	1.0
183.02937	0.2
193.08598	0.5
201.05394	0.3
213.05455	0.2
229.04903	1.0
249.07440	0.2
257.04471	0.6
285.03976	0.3
287.05438	0.5
291.08630	4.9
303.04980	16.1
304.05386	0.3
309.09698	1.4
433.99973	0.2
448.39941	0.3
629.44550	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1392
Annotation	56343-26-1
Peak:m/z	Relative Intensity
55.01867	0.6
57.30788	0.4
58.79122	0.3
65.03930	1.5
69.03080	0.3
69.03420	1.4
69.47746	1.2
69.48169	1.7
81.03406	1.4
81.04206	0.3
81.07016	0.4
85.02879	1.0
88.13197	0.4
91.05473	13.9
97.02882	0.5
98.20779	0.8
109.02892	0.9
109.10081	0.4
111.00783	0.5
117.05486	0.5
117.87120	0.3
119.04941	27.3
122.90752	0.3
123.04337	0.4
127.03918	1.2
131.08585	0.4
137.02354	1.3
137.05989	0.4
139.03889	0.8
147.04404	100.0
148.04752	0.9
153.01898	1.9
165.01810	0.9
165.05469	0.5
167.07069	0.5
183.02823	0.6
189.05200	0.4
201.05478	0.5
219.10136	1.5
220.10524	1.0
221.10854	0.4
229.05002	1.9
257.04514	1.3
274.04675	0.4
285.03772	0.5
287.05450	0.4
291.08743	1.7
303.04984	41.3
304.05551	0.5
309.09753	0.5
345.05988	0.5
496.89325	0.4
496.97333	0.3
573.75403	0.3
611.24585	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01877	2.8
56.81934	1.5
56.96563	1.5
61.15063	2.1
68.99789	6.7
69.03469	2.0
71.57848	1.7
71.58242	2.1
80.29176	1.7
81.03395	3.7
83.20730	1.6
85.02906	1.7
97.02901	1.4
98.97588	3.6
99.04446	3.0
109.02888	4.3
111.00782	8.3
111.36485	1.4
116.98666	2.4
118.78405	1.6
119.01913	1.8
121.02872	2.8
123.04425	10.8
127.03921	100.0
133.02876	3.4
134.99693	2.4
135.04451	3.9
139.03902	85.9
145.02823	2.0
147.04449	7.7
151.03888	30.2
153.01839	2.0
154.08546	1.7
161.06036	2.1
163.03915	9.9
165.05569	2.2
167.03421	4.1
175.03917	12.1
177.05493	4.7
179.03406	33.5
181.04951	5.4
191.03401	10.9
193.05045	3.8
201.05484	3.6
203.03380	15.7
213.05537	4.5
215.03415	2.7
217.04968	3.9
219.06670	1.8
227.03490	2.2
229.05048	2.2
231.06732	2.3
233.04445	6.3
237.02808	2.7
241.05009	3.0
245.04608	9.5
257.04471	10.5
259.06161	2.6
263.05554	13.2
269.04309	3.3
271.06320	1.6
275.05475	16.0
287.05481	45.6
289.07153	2.4
299.05478	14.3
303.04773	2.0
305.06445	5.4
307.08017	5.7
317.06546	11.2
345.90408	1.6
425.08707	15.5
443.09726	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	611.1389
Annotation	Prodelphinidin B5
Peak:m/z	Relative Intensity
53.03951	0.8
55.01868	2.5
61.66543	0.8
65.03921	1.2
66.15031	0.7
67.01847	0.9
67.05505	0.8
68.74309	0.9
68.99793	5.4
69.66966	4.8
81.03421	3.3
83.95850	0.7
89.73665	0.7
93.03461	1.0
95.04977	1.9
99.04470	1.1
105.03425	0.8
107.04932	1.1
109.02872	4.2
111.00806	5.7
111.04454	2.0
113.59215	0.8
116.34678	0.9
119.04974	1.0
120.08120	6.5
121.02863	2.4
121.08453	1.2
123.04411	8.9
127.03917	88.3
129.03398	0.9
133.02809	1.7
135.04396	3.3
139.03902	100.0
145.06500	0.8
147.04404	7.0
149.02313	2.4
151.03905	29.5
153.01848	1.6
157.06473	1.0
159.04407	1.4
161.05948	1.9
163.03900	9.5
165.05492	2.7
166.08650	2.5
166.49673	1.0
166.59256	0.8
167.03386	3.6
167.08916	1.2
169.05043	1.4
171.04335	1.9
173.05951	0.9
175.03900	12.0
177.05492	4.8
179.03392	30.9
181.04984	4.6
183.04462	1.0
185.05948	1.9
189.05472	3.6
191.03389	11.9
193.04970	4.7
195.06546	1.0
199.03917	1.6
201.05470	3.9
203.03403	17.8
205.04996	2.4
213.05447	4.5
215.03294	1.2
217.04947	4.3
226.06081	0.8
227.03462	1.0
229.04962	6.1
231.06523	2.9
233.04491	6.2
241.04967	2.4
245.04425	12.5
247.06134	1.2
251.05559	2.3
253.04897	1.2
257.04486	12.8
259.06073	2.3
263.05508	17.8
269.04449	4.4
271.06049	2.5
275.05487	22.8
287.05493	36.3
289.07077	2.5
299.05505	15.1
305.06491	7.5
307.08197	4.4
311.05667	1.4
313.07202	0.9
317.06555	17.8
387.91855	0.8
407.07599	2.8
425.08676	20.7
443.09698	11.6
467.10092	0.9
481.08060	0.9
543.66022	1.0
594.28003	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1391
Annotation	Prodelphinidin B5
Peak:m/z	Relative Intensity
53.00325	1.8
55.01875	2.9
57.03430	2.3
64.13369	1.6
68.99799	6.5
70.89203	3.5
71.04996	12.1
81.03408	2.6
85.02890	14.0
93.03397	1.4
95.79066	1.5
97.02889	1.7
107.04935	2.1
109.02861	3.9
111.00788	7.5
111.04468	2.0
120.08127	2.7
121.02873	2.8
123.04429	18.6
127.03912	68.6
129.05490	1.8
133.02850	2.1
135.04459	7.6
137.02365	6.7
139.03899	100.0
147.04419	9.1
149.02367	2.1
151.03912	26.2
151.93890	1.5
153.01810	5.1
155.03452	1.7
159.04449	2.0
161.05978	1.7
163.03897	17.7
165.01714	1.7
165.05479	2.7
167.03412	3.8
169.05011	3.4
175.03867	11.3
177.05467	5.3
179.03407	33.9
181.04955	4.8
187.03941	2.4
189.05540	4.5
191.03378	8.9
193.04922	5.1
195.02875	1.5
201.05534	5.9
203.03374	25.4
203.07028	1.9
205.05014	1.9
206.02074	1.7
207.03006	2.2
213.05547	3.9
215.03352	2.0
217.04874	3.0
229.04910	7.8
231.06557	3.0
233.04494	3.0
241.04874	3.0
245.04437	16.4
247.06036	3.6
257.04416	17.7
259.06012	6.1
261.03915	2.0
263.05539	8.3
269.04449	4.6
271.06015	5.1
274.04465	1.8
275.05484	17.5
287.05484	65.1
288.06076	1.6
295.06204	1.8
299.05466	20.4
303.04968	52.4
305.06516	5.1
307.08209	4.2
311.05515	7.3
313.07114	2.2
317.06458	12.9
323.05408	5.3
324.06274	3.1
341.06604	9.4
351.08615	2.1
353.06473	5.6
361.06949	1.8
365.06491	2.9
367.08014	2.7
371.07809	3.3
389.07138	1.8
391.07977	2.2
395.07620	6.7
407.07501	5.9
425.08643	32.4
437.08615	5.4
443.09805	9.9
455.09686	5.4
465.10117	6.8
467.09491	4.7
473.11169	8.9
491.12125	1.9
497.10754	4.0
527.11713	2.1
539.11932	2.2
557.11835	2.3
575.13721	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4511
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
55.05511	13.6
57.03410	2.6
67.05502	24.5
69.07074	11.6
69.37265	2.0
69.37612	22.2
79.05487	21.2
81.07051	24.8
83.08646	3.8
85.06534	2.0
87.43686	2.3
91.05479	21.2
93.07035	26.0
95.08609	23.9
105.07036	18.5
107.08579	10.6
109.10144	10.9
117.07004	11.3
119.08603	14.7
121.10155	8.9
128.06229	3.0
129.07005	9.1
129.07959	2.5
131.08572	12.1
133.10126	12.2
135.11707	5.5
135.47366	2.0
143.08569	12.1
144.97942	2.1
145.10118	13.6
147.11699	7.8
149.13268	4.5
155.08617	12.3
157.10175	9.7
159.11716	10.2
161.13257	5.6
162.29483	2.3
167.08574	2.9
169.10175	8.4
171.11713	10.2
173.13278	7.0
175.14828	4.7
181.10120	4.9
183.11728	11.7
185.13326	7.6
187.14903	3.6
195.11838	4.4
197.13292	10.0
199.14868	4.8
207.11858	2.6
209.13239	5.6
211.14854	7.3
213.16418	5.1
221.13232	2.6
223.14922	5.4
225.16579	2.6
235.14903	3.1
237.16267	2.8
239.18024	3.1
257.19003	2.9
275.20218	4.0
365.28674	2.8
447.32321	2.9
449.33844	2.5
517.40564	9.9
535.41479	8.1
591.44165	10.0
609.45135	100.0
610.45599	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	609.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20870	2.6
53.03940	4.1
55.05513	18.2
57.03429	3.9
63.18942	2.8
64.97334	2.4
67.05505	39.4
67.47951	2.4
69.07061	18.6
71.59245	4.9
71.66831	2.7
79.05490	25.2
81.07056	34.0
83.04988	4.0
83.08620	10.6
85.06515	3.0
91.05453	23.7
93.07046	28.9
95.04948	5.3
95.08598	24.9
97.06501	3.7
97.10167	5.1
98.98501	2.9
105.07029	20.8
107.08591	15.8
109.10154	14.4
117.07016	11.0
119.08574	22.6
121.10147	11.3
128.06281	3.5
129.07036	14.6
131.08551	24.1
133.10153	12.9
135.11685	7.8
135.28815	2.4
141.06984	6.9
142.07748	4.9
143.08580	19.7
145.10101	17.9
147.11700	9.3
149.13283	3.9
155.08517	17.5
157.10095	18.5
159.11691	10.7
161.13287	6.9
167.08501	2.8
169.10120	21.4
171.11681	16.5
172.31247	2.8
173.13292	5.9
173.96509	2.6
175.14845	4.3
179.08636	3.4
181.10120	10.8
183.11647	18.8
185.13264	9.2
187.14792	4.6
193.10060	4.7
195.11714	13.1
197.13268	14.2
199.14897	7.0
201.16426	2.6
207.11717	3.9
209.13234	13.0
211.14856	9.0
213.16449	5.4
221.13364	5.3
223.14804	7.4
225.16429	8.8
237.16393	5.4
239.17972	4.5
251.17996	2.8
283.03275	2.5
361.25201	2.7
445.55508	3.1
471.03284	2.5
511.37604	11.2
517.40625	14.5
535.41284	8.3
539.37268	4.6
591.44061	15.1
609.36035	12.3
609.45093	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4507
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
50.04514	1.4
54.80057	1.5
55.05507	18.3
57.03434	4.4
57.07076	3.7
65.03932	2.0
67.05507	26.7
69.07066	13.3
70.76566	5.0
71.12469	1.4
79.05492	18.4
81.07059	30.5
83.04974	2.9
83.08609	9.4
91.05486	18.1
93.07038	19.3
95.04982	2.2
95.08606	24.7
95.09169	2.2
97.06525	1.8
97.10176	5.3
105.07032	19.4
107.08582	12.4
109.10148	9.0
115.05347	1.6
116.06317	1.4
117.07011	11.8
119.08595	15.8
121.10155	9.7
123.08086	2.5
123.11725	2.6
125.09690	1.7
128.06271	2.7
129.06990	10.4
130.07794	2.0
131.08574	14.2
133.10112	13.3
135.11707	5.9
141.06978	6.9
142.07813	3.2
143.08566	17.6
145.10120	14.5
147.11708	7.0
149.13274	2.7
154.07790	2.7
155.08546	17.3
157.10147	16.7
159.11688	13.4
160.21983	1.5
161.13277	4.7
165.07187	1.6
167.08607	6.8
168.09372	2.0
169.10141	21.6
170.48586	1.4
171.11668	14.4
173.13300	6.6
179.08614	4.0
181.10147	12.3
182.10808	2.3
183.11664	19.4
183.12994	1.7
185.13210	10.0
187.14824	5.5
189.16408	3.4
193.10197	4.7
195.11674	10.2
197.13277	15.3
199.14862	6.4
207.11755	4.6
209.13248	8.5
211.14816	8.9
213.16441	3.5
221.13217	3.3
223.14877	8.3
225.16444	6.4
227.18031	3.4
235.14842	2.3
237.16435	3.6
239.18013	3.3
241.19678	1.8
247.14818	1.4
251.17986	4.9
265.19678	1.4
273.22226	1.8
283.20389	1.6
321.22205	2.0
323.23605	1.9
333.25815	2.0
337.25226	3.0
349.25388	2.0
351.26846	2.7
391.30261	2.2
405.31683	1.9
437.98318	1.6
447.32574	2.4
499.39111	2.1
517.40405	18.3
521.35889	1.9
535.10016	1.7
535.41309	7.8
591.44189	13.4
609.45062	100.0
610.45349	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	609.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01584	1.8
51.02393	1.6
53.03954	10.0
55.01862	7.1
55.05263	2.1
55.05512	27.6
57.03436	12.1
57.07067	1.6
61.02916	3.0
63.32394	1.6
65.03931	2.7
67.05507	53.1
69.03429	16.4
69.07080	16.6
71.01358	3.6
71.05004	9.4
71.59789	2.9
76.02049	1.5
79.05494	50.0
81.03421	100.0
81.07059	41.8
83.04980	25.2
83.08617	14.9
85.02911	14.5
85.06525	4.3
91.05470	37.4
93.06479	2.8
93.07050	46.2
95.04974	28.4
95.08617	12.5
97.02908	17.9
97.06539	11.1
97.10161	11.4
99.04445	6.6
99.08067	4.1
99.65788	1.6
103.05462	2.3
104.81385	1.6
105.07045	24.4
107.04956	8.1
107.08595	29.7
109.02891	17.4
109.06525	8.0
109.10168	12.0
111.04447	14.8
111.08089	9.7
113.05964	2.0
115.05509	1.9
117.07037	8.7
119.08588	20.7
121.06513	3.6
121.10152	12.2
123.04421	2.8
123.08070	4.0
123.11681	3.7
125.09624	5.8
127.03923	14.7
129.07004	9.9
131.08536	8.8
133.06490	3.1
133.10118	9.8
135.08061	2.1
135.11703	30.4
137.09605	3.7
139.03828	2.2
142.07813	2.3
142.92039	1.6
145.06564	2.2
145.10115	10.6
147.08054	3.4
147.11700	12.2
149.09596	5.9
151.11179	3.3
153.12773	4.8
155.08643	3.3
157.10135	9.7
159.08054	2.0
161.09622	1.7
163.11197	10.9
165.12759	3.9
173.09647	2.9
173.13159	2.0
175.11205	9.7
181.12360	11.1
184.07256	1.9
187.11134	1.7
188.00969	1.8
191.10664	5.7
193.12239	30.3
209.11832	2.2
211.13316	50.2
221.08133	3.2
227.12788	7.8
235.13362	2.0
242.82008	2.1
249.15002	2.4
255.15991	11.2
267.15881	6.3
273.15097	2.2
285.17014	2.8
291.20001	1.8
301.14172	2.4
303.04987	1.9
307.15198	1.8
325.16510	2.0
337.16528	3.6
337.21631	2.5
355.17459	9.3
355.22125	2.5
411.20520	3.7
421.25967	2.5
429.26291	2.4
447.27341	12.0
465.28485	12.3
591.31512	1.9
609.17328	3.8
609.32672	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
63.16163	2.0
70.25024	4.3
70.25420	4.2
97.02909	2.0
98.21528	2.1
151.07564	5.4
153.01889	4.3
159.04187	15.4
194.52858	1.9
205.04712	2.3
285.07620	2.3
299.09143	3.0
300.09506	2.4
339.07166	3.5
342.06027	2.1
349.92609	1.9
357.08188	20.8
360.06946	6.5
375.09363	3.3
379.02121	2.3
381.08215	7.7
393.08194	7.1
393.71255	2.1
395.09732	3.1
397.12445	4.7
399.09259	6.9
411.08890	3.0
412.14999	8.6
483.11261	11.2
609.23022	100.0
610.23334	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	609.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63311	0.2
53.00298	0.2
55.72407	0.2
55.80791	0.2
65.03935	0.3
68.99799	1.1
69.03442	0.2
70.34663	0.5
70.35075	0.3
81.03407	0.4
85.02916	0.2
85.10069	0.2
86.86593	0.2
96.27834	0.2
107.01357	0.3
109.02869	0.3
111.00812	0.3
111.04469	0.2
117.95940	0.2
121.02840	0.8
123.04420	0.5
125.02399	0.5
127.03913	2.0
129.67392	0.2
131.04887	0.3
135.04384	0.4
137.02339	0.9
139.03896	10.7
143.03404	0.6
145.06464	0.3
147.04326	0.3
149.02338	2.3
149.05980	0.3
150.03145	0.4
151.03906	0.8
153.01826	8.1
155.03477	0.4
155.04892	0.4
157.06482	0.3
159.04387	0.4
163.03923	1.8
165.01781	0.5
167.03424	0.5
171.04445	0.3
173.05984	0.7
175.03914	0.6
177.01830	0.4
177.05469	0.8
179.03406	1.5
179.48024	0.2
181.04984	0.2
183.04431	0.4
187.03926	1.1
189.05441	0.4
191.03383	1.5
193.04961	0.3
196.11597	0.2
197.06027	0.3
199.03903	0.3
201.05437	1.3
203.03323	0.5
205.04935	1.2
211.03923	0.4
213.05394	0.3
215.03342	0.8
218.40468	0.2
218.42574	0.2
219.02878	1.4
225.05489	0.3
227.03496	0.3
229.04971	2.7
233.04416	0.6
236.54411	0.2
237.03856	0.4
239.03360	0.3
243.02950	0.7
245.04453	0.7
247.05977	1.3
253.05029	0.3
257.04425	2.3
258.05060	0.3
259.06100	0.3
261.03992	1.2
263.05469	0.4
269.04547	0.4
271.05957	0.6
273.03918	0.6
275.05597	1.6
285.03958	1.3
287.05527	1.4
289.07132	0.4
297.03815	0.4
299.05508	0.9
302.04153	0.2
303.04980	100.0
304.05475	1.3
315.05032	3.0
316.05447	0.3
327.04926	1.3
387.10791	0.2
405.05872	0.3
415.11426	0.3
423.07190	1.0
425.08673	0.2
433.11325	1.3
435.07074	1.2
441.08182	11.8
453.08182	2.2
465.07687	0.3
483.09778	0.3
573.10614	0.5
591.11151	0.6
598.59106	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	20.1
57.07071	8.7
59.04993	5.5
67.05502	19.5
69.03421	6.3
69.07068	50.8
69.44913	28.3
71.08611	3.4
78.71216	3.7
79.05495	11.8
81.03402	8.0
81.07048	61.7
83.08600	19.4
85.02884	6.1
89.26382	3.4
91.05481	12.9
93.06476	6.8
93.07043	100.0
93.07628	5.4
93.48463	3.7
95.04962	23.3
95.08593	65.8
95.09161	5.5
97.02875	5.4
97.06507	9.6
97.10157	5.5
98.82912	3.2
99.08106	3.6
105.07005	17.1
107.08595	31.0
109.06529	6.4
109.10162	38.7
111.08070	11.0
111.11707	5.2
119.08572	13.7
121.10124	38.1
123.04414	4.5
123.11701	23.1
125.09605	4.5
127.03925	8.0
131.08557	5.5
133.10136	8.0
135.11655	17.1
137.13242	12.5
139.03918	5.3
139.11180	7.3
145.04884	3.6
145.10081	8.3
147.11679	7.1
148.87621	3.8
149.13277	21.0
151.14825	4.1
159.11732	8.7
161.13342	4.4
163.14830	5.5
175.14894	6.1
185.15321	5.5
191.17841	4.6
197.19104	3.6
209.19061	4.1
215.17917	7.0
231.21083	7.3
237.11278	8.3
271.24011	18.1
289.25229	28.1
295.26324	9.6
303.04868	5.3
307.26328	62.0
313.07574	3.8
323.53256	3.8
325.27261	31.7
361.37857	3.9
544.95776	4.4
608.34479	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	607.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.01862	3.7
55.05262	1.7
55.05511	20.9
57.03426	4.4
57.07071	3.2
65.03932	2.7
67.05505	43.8
68.92676	1.0
69.03432	5.7
69.06728	1.2
69.07071	17.3
69.83543	5.0
71.04973	2.7
72.67461	1.0
78.45155	1.1
79.05489	30.4
81.03413	10.9
81.07056	42.9
83.04984	4.1
83.08624	9.8
85.02898	2.3
85.06538	3.2
91.05480	30.0
91.06015	2.2
93.07047	32.1
95.04986	6.2
95.08051	2.1
95.08611	25.6
97.02888	3.4
97.06535	4.6
97.10175	4.1
98.98445	1.5
105.04418	1.1
105.07021	23.3
107.04947	3.2
107.08582	20.4
109.02882	3.3
109.06517	2.7
109.10148	10.3
111.04412	2.2
111.08092	1.6
115.05430	1.6
117.07023	11.6
119.08578	18.2
121.10131	11.5
123.08059	2.3
123.11726	3.9
125.09620	2.4
127.03903	1.6
128.06232	3.3
129.06999	11.3
130.07747	2.1
130.84259	1.1
131.08566	15.0
133.10124	11.3
135.08086	1.9
135.11722	5.7
137.09673	1.3
141.06963	7.3
142.07779	4.0
143.08560	14.4
145.06528	1.8
145.10126	15.0
147.11699	7.6
149.09634	2.9
149.13261	6.3
153.06938	2.5
154.07755	1.8
155.08554	14.9
156.09363	1.8
157.10126	13.0
159.11676	10.8
161.13277	3.1
163.11133	2.1
165.07057	2.1
165.12775	1.8
166.07800	2.1
167.08582	8.6
168.09348	2.1
169.10141	15.3
171.08064	1.2
171.11690	10.9
173.13292	3.8
175.14751	1.4
178.07808	1.7
179.08537	6.1
180.09381	2.5
181.10106	15.6
182.10954	2.0
183.11719	12.6
185.13237	7.1
187.14853	1.6
191.08620	1.5
192.09387	1.5
193.10117	8.1
194.10896	2.3
195.11710	13.0
195.13615	2.5
197.13286	11.5
199.14832	4.4
201.12834	1.3
201.16391	1.4
205.10165	2.9
206.10939	2.0
207.11726	6.4
208.12434	1.7
209.13255	11.5
211.14847	6.8
213.16428	3.4
215.17998	1.7
219.11710	2.7
220.12604	1.2
221.13231	6.3
223.14825	5.5
225.16425	4.0
233.13237	2.8
235.14790	5.9
237.16374	5.7
239.18030	4.3
241.19521	2.4
247.14906	2.3
249.16444	3.7
251.17979	2.6
257.18921	1.6
259.20520	1.7
263.17993	2.1
265.19495	1.6
269.17349	1.1
275.20151	4.0
277.19525	2.3
279.20935	1.7
291.20908	1.7
303.20798	1.3
307.20782	1.2
313.21909	1.3
319.20547	1.3
321.17215	1.2
321.22061	1.9
335.23578	2.4
347.23685	1.9
349.25113	2.2
351.23245	1.5
363.26892	2.6
365.24698	1.3
375.26761	1.4
389.28430	1.4
391.30087	1.3
395.20560	2.2
403.29999	2.3
417.31979	1.5
433.31171	1.7
445.30234	2.5
463.30768	3.5
489.34619	1.3
495.34796	1.3
509.36453	2.7
515.38818	13.4
533.39850	7.6
537.36041	2.4
538.36694	1.9
551.40723	4.6
571.42096	1.8
589.42578	7.4
607.34631	14.6
607.43506	100.0
608.35083	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
53.46808	0.8
55.01873	3.2
55.05514	16.9
57.03449	2.2
57.07065	2.2
65.03940	1.9
67.05507	32.0
67.76157	0.9
68.05201	0.9
69.03430	1.0
69.07064	15.2
71.04993	1.7
79.05493	22.1
81.07056	33.0
81.07521	1.7
83.04982	2.7
83.08620	8.0
85.06548	1.3
91.05484	23.0
91.06017	1.8
93.07046	21.8
95.04987	3.9
95.08609	23.8
97.06538	3.3
97.10178	4.1
99.08103	1.5
103.05469	1.1
105.07036	19.6
107.04992	2.2
107.08593	13.8
109.06551	1.9
109.10155	11.0
111.08098	1.4
113.09679	1.5
115.05485	2.8
116.06300	0.8
117.07019	9.5
119.08575	15.6
119.09357	1.3
121.06538	1.3
121.10136	7.7
123.08089	1.1
123.11757	2.3
125.09651	2.0
128.06239	3.7
129.07013	11.2
130.07803	1.0
131.08568	14.6
133.10132	11.5
133.10948	1.1
135.11650	4.8
137.09662	1.1
140.06233	0.9
141.06973	7.2
142.07811	3.3
143.08562	13.7
145.06557	1.0
145.10118	12.7
147.08110	1.2
147.11691	7.2
149.13283	1.5
153.07002	2.1
153.19724	1.0
154.07780	2.0
155.08568	13.0
155.09732	1.4
156.09393	2.0
157.10118	12.7
158.10968	1.0
159.11691	9.0
161.13319	3.4
163.11223	1.9
165.07042	2.0
166.07825	2.7
167.08585	7.0
168.09393	2.7
169.10126	16.0
169.11372	1.2
170.10863	1.3
171.08127	1.3
171.11719	11.5
173.13263	6.1
175.14886	2.5
177.12677	1.3
178.07802	2.0
179.08563	7.8
180.09427	2.8
181.10114	14.0
181.11583	1.2
182.11003	2.8
183.11710	17.2
183.13223	1.3
185.13263	5.8
187.14870	3.2
189.12772	1.4
191.08513	1.4
193.10133	8.4
194.10835	1.2
195.11678	14.8
195.13364	1.0
196.12459	1.8
197.09628	1.0
197.13260	9.6
199.14911	4.2
201.16382	2.4
205.10204	2.9
206.10915	2.0
207.11749	8.7
209.13275	13.8
211.13161	1.3
211.14833	6.5
213.16484	2.3
219.11748	3.4
221.13298	7.4
223.14786	9.6
225.16489	3.5
229.19542	1.1
229.89752	1.1
233.13292	3.0
235.14795	5.9
236.15666	1.3
237.16348	6.3
239.17918	4.4
247.14980	2.5
249.16531	4.0
251.18095	3.0
253.19749	1.2
255.17542	1.1
255.89578	0.9
257.19342	1.0
259.20670	2.2
261.16504	2.5
263.17978	2.5
265.19650	3.0
267.21136	1.0
275.20224	3.4
277.19601	1.6
291.21204	1.3
291.69205	1.0
297.18866	0.9
307.20593	1.6
309.22147	1.2
311.20020	0.9
315.23343	1.2
321.22281	1.8
323.24002	1.5
327.23306	1.2
335.23834	1.9
337.25351	1.1
339.23337	1.2
347.24008	1.2
349.25229	2.3
351.23334	1.2
353.25226	1.0
361.25479	1.4
363.27023	1.9
363.70300	1.0
377.24408	1.6
377.28696	1.6
389.28403	2.2
391.30420	1.2
407.29416	1.4
421.31296	1.6
431.29132	1.3
435.33035	1.1
445.30743	2.0
447.32758	1.5
497.37640	2.1
507.35458	1.1
515.38824	12.2
533.40106	8.2
534.71112	1.0
537.36273	1.5
538.36896	2.7
551.41071	3.3
589.42554	8.6
607.43805	100.0
608.44745	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.8
55.05513	18.6
57.03422	3.3
57.07058	3.0
65.03918	3.8
67.05506	32.3
69.07066	16.5
74.60588	2.8
79.05499	24.6
81.03413	6.2
81.07053	36.0
83.04972	3.8
83.08607	8.3
85.12458	2.2
91.05484	24.3
91.17417	2.6
93.07044	26.7
95.05029	4.2
95.08614	23.2
97.10155	7.1
98.21522	4.8
105.07021	25.1
107.08602	15.1
109.10147	10.5
117.07048	12.7
119.08583	18.5
121.06502	3.2
121.10153	7.3
122.64275	2.4
123.11755	3.5
129.06984	13.6
131.08553	15.0
133.10126	11.1
141.07018	9.8
142.07835	3.2
143.08578	15.7
145.10103	15.2
147.11693	6.0
149.13251	3.5
154.07765	3.7
155.07391	2.8
155.08531	15.1
157.10089	12.5
159.11716	8.3
167.08591	11.0
168.09354	3.1
169.10126	12.9
171.11729	11.9
173.13293	6.3
179.08551	4.7
181.10117	12.1
182.11021	2.7
183.11662	16.1
185.13336	6.2
193.10164	6.4
195.11673	15.6
197.13356	9.7
207.11676	6.1
209.13187	13.0
211.14758	8.2
213.16489	3.8
219.11612	2.9
221.13304	5.2
223.14827	5.7
225.16426	3.1
233.13095	3.8
235.14865	6.4
237.16444	4.4
247.14760	2.8
249.16382	4.7
251.41135	3.2
263.18057	3.2
265.19733	4.1
275.20209	4.7
291.20984	3.3
363.27161	3.6
445.31308	4.4
473.32956	3.1
515.38861	11.9
528.16840	2.8
533.40094	6.1
589.42346	7.4
607.35266	4.9
607.43604	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.7
55.01869	9.1
55.05511	23.2
56.96557	3.4
57.03436	10.0
57.07076	2.4
61.02905	2.1
65.03943	5.4
67.05504	79.3
67.05873	3.8
69.03064	3.3
69.03417	21.9
69.07066	25.5
71.01350	2.3
71.04991	8.6
73.02917	2.5
75.03592	2.0
79.05494	53.0
81.03415	65.3
81.07059	100.0
81.08640	2.1
83.04979	18.4
83.08614	19.3
84.08072	2.3
85.02876	12.1
85.06552	7.8
91.05477	40.0
93.07043	66.0
95.04962	17.4
95.08614	38.1
97.02898	15.4
97.06509	10.8
97.10165	3.3
98.21519	5.2
99.04446	3.2
99.08099	3.8
103.03959	2.8
105.07018	25.9
107.04968	6.7
107.08592	35.5
109.02889	12.7
109.06524	7.2
109.10163	10.5
111.04459	9.9
111.08083	8.3
117.07019	16.0
119.08585	16.8
121.06496	4.8
121.10137	19.1
123.08059	4.4
123.11709	6.1
125.09663	3.6
127.03921	10.0
128.06195	2.8
129.07022	8.3
131.08565	16.7
133.06444	3.9
133.10159	17.8
135.08116	5.1
135.11720	9.7
139.03891	7.4
143.08517	5.0
145.10115	4.8
147.08037	3.8
147.11647	14.2
149.06044	2.8
149.09756	3.3
149.13284	25.8
151.11208	4.0
155.08585	3.5
157.10121	4.7
159.11693	19.5
161.05948	3.2
163.11208	2.1
165.12752	5.2
173.13148	2.6
177.12770	12.1
195.13794	19.1
213.14908	4.8
229.14296	3.4
267.15991	5.8
269.17499	10.2
275.16351	2.6
296.04962	2.4
297.16879	2.7
321.17084	5.0
339.17978	15.1
377.19440	3.8
395.20602	13.0
403.04367	2.1
445.29675	6.9
463.30472	12.1
571.32440	4.0
589.33527	6.3
607.34711	81.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	10.4
55.01871	6.4
55.05516	30.0
57.03444	8.7
57.07068	3.2
60.70804	2.0
65.03959	4.8
67.05508	80.1
68.18052	2.3
69.03438	19.8
69.07075	23.1
71.04997	9.7
71.59203	4.2
79.05495	50.9
81.03420	77.3
81.07062	100.0
83.04985	15.7
83.08611	18.9
85.02940	8.2
85.06531	4.3
91.05482	42.6
93.07055	69.3
93.07633	4.5
95.04965	16.5
95.08608	34.5
97.02891	16.1
97.06511	12.7
97.10186	3.6
99.04471	7.5
99.08114	4.8
105.07039	29.8
107.04988	7.9
107.08600	40.0
109.02882	12.4
109.06573	4.6
109.10184	9.8
111.04456	11.5
111.08109	7.9
115.05458	2.3
117.07024	14.4
119.08606	15.4
121.06547	5.8
121.10134	19.9
123.04462	2.6
123.08114	5.9
123.11676	5.7
127.03933	12.8
129.07027	9.6
131.08575	19.3
133.10156	19.4
135.08110	4.9
135.11685	13.0
139.03889	4.6
139.07718	2.4
139.11224	3.0
143.08604	5.8
145.10129	7.0
147.08083	3.6
147.11707	15.2
149.09702	5.4
149.13255	26.9
155.08600	3.6
157.10216	6.7
159.11688	14.3
160.98792	2.3
161.06068	3.3
165.12793	7.5
168.09645	2.8
171.11635	4.0
175.11249	2.3
177.12798	14.0
183.06673	3.7
183.11702	2.7
195.12311	3.5
195.13768	17.3
213.14951	5.2
219.13869	3.3
267.16003	5.7
269.17496	12.5
303.16199	5.1
321.17105	4.2
339.17963	13.5
353.24728	3.6
395.20810	9.5
445.29694	7.3
463.30664	11.5
552.96613	2.7
587.09473	2.7
589.33569	3.4
591.91315	2.6
607.34943	83.3
608.35138	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	607.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	12.1
55.01870	5.3
55.05505	23.4
57.03430	7.0
65.03937	4.1
67.05505	76.2
69.03432	19.4
69.07066	22.8
70.55205	4.7
71.04997	7.5
73.85392	1.8
75.15452	1.7
77.03928	2.2
79.05146	1.1
79.05490	50.9
81.03416	77.6
81.07053	100.0
83.04985	16.5
83.08607	17.4
85.02902	9.6
85.06527	5.6
88.95584	1.8
91.05476	41.8
91.06013	2.9
93.07038	62.0
95.04966	14.8
95.08607	27.5
97.02879	14.9
97.06521	15.7
97.10152	3.2
99.04469	7.1
99.08089	2.6
104.21564	2.2
105.07030	22.2
107.04967	7.5
107.08588	31.6
109.02880	15.0
109.06548	5.3
109.10159	7.7
111.04446	11.8
111.08102	7.0
113.06050	2.2
117.07011	14.8
119.08589	15.3
119.76703	1.8
121.06509	5.1
121.10142	18.9
123.04469	3.0
123.11734	7.8
127.03899	13.2
129.07018	6.5
131.08580	17.5
133.06483	4.8
133.10136	17.1
135.08035	5.8
135.11670	9.0
137.05980	4.0
137.09618	2.4
139.03905	3.0
143.08569	5.1
145.06456	2.3
145.10109	3.8
147.08101	1.8
147.11665	13.2
149.09621	2.4
149.13260	32.5
151.11131	1.9
153.01813	3.7
157.10103	4.4
159.08066	2.2
159.11690	14.3
161.09625	2.0
165.12808	6.3
167.08630	2.0
169.10126	2.6
171.11681	2.6
173.04424	3.3
177.12738	10.5
181.10060	2.1
183.06578	4.1
183.11691	2.2
195.13802	23.2
201.12833	2.3
213.14789	2.9
249.07585	3.7
267.16043	5.4
269.17477	11.9
297.17017	3.0
303.05133	5.3
303.15799	4.8
321.16983	7.8
339.17993	13.0
377.19595	2.4
395.20502	13.5
445.29636	6.2
463.30597	11.3
589.33856	3.6
607.34674	95.2
608.35291	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	607.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.3
55.01862	7.7
55.05516	30.0
57.03436	7.0
57.07071	3.3
65.03939	6.9
67.05509	77.9
69.03419	16.1
69.07064	30.6
71.05000	6.5
74.56468	3.6
77.20345	3.1
79.05486	54.6
81.03422	53.3
81.06578	6.2
81.07057	100.0
83.04985	15.0
83.08625	20.7
85.02905	7.7
85.06558	4.1
91.05484	44.9
93.07045	58.6
95.04971	13.8
95.08605	33.6
97.02902	11.4
97.06546	11.5
97.10168	4.6
105.07024	28.7
105.24461	3.0
107.04927	3.5
107.08576	31.4
109.02886	13.6
109.06516	5.8
109.10166	8.0
111.04452	6.0
111.08104	5.8
114.17211	3.7
115.05505	3.9
117.07018	19.6
119.08585	20.1
121.10156	22.3
123.11707	7.4
127.03896	5.2
129.06989	16.0
131.08586	19.7
133.10141	14.9
135.11707	10.8
141.07004	4.9
143.08566	11.8
145.10126	10.5
147.11716	20.8
149.09627	4.2
149.13243	27.4
155.08571	6.8
157.10121	8.1
159.11691	20.0
167.08649	8.6
169.10158	6.9
171.11655	8.6
177.12778	9.7
181.10223	4.5
183.11696	7.1
185.13260	5.0
193.10136	6.2
195.11722	5.7
195.13823	11.4
197.13258	3.8
199.14740	4.1
207.11790	4.4
209.13310	6.9
221.13161	5.6
221.15166	3.6
223.14766	4.3
237.16379	4.1
261.15237	3.9
267.16006	7.8
269.17493	8.7
321.17355	4.1
339.18030	10.3
395.20416	9.3
445.29288	8.5
463.30447	10.0
515.38696	5.6
589.32813	4.4
607.34528	67.0
607.43481	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2906
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
67.10796	0.3
70.84519	1.2
79.08982	0.4
108.23737	0.4
112.22109	0.4
181.77902	0.4
215.83597	0.4
298.13672	0.6
307.51059	0.4
388.17014	0.6
389.17532	1.2
401.17676	0.7
402.18491	1.4
403.19211	3.4
404.20001	1.2
405.20813	1.8
415.19327	0.8
416.20190	1.2
417.21246	3.8
418.21823	2.2
419.22391	3.7
429.16437	0.5
430.17633	1.3
430.22540	0.7
431.18140	7.4
432.19495	2.3
432.24255	0.7
433.23999	8.9
434.24484	1.5
444.18542	0.6
444.23743	0.6
445.19681	8.5
446.20581	4.7
447.21469	4.1
449.23376	0.5
459.21616	5.4
460.22491	12.9
461.23300	13.0
462.23740	1.2
473.23828	2.4
474.24094	1.3
477.22995	0.5
487.25006	1.7
488.25772	0.5
491.25104	0.4
492.25061	0.8
505.21912	3.4
506.26981	0.6
510.72534	0.5
515.24121	0.6
519.24207	2.6
520.24170	0.7
532.24445	0.7
533.25378	0.7
542.46667	0.5
547.27057	28.6
548.27338	1.7
575.25769	1.0
579.29877	0.7
607.29114	100.0
608.29480	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	607.2908
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
53.39357	0.4
69.76933	0.5
71.32308	0.9
71.32655	0.5
100.88028	0.4
105.50832	0.4
119.65372	0.4
133.86531	0.4
175.78325	0.5
220.85910	0.4
226.41176	0.4
281.28995	0.5
321.53870	0.5
337.30652	0.4
403.19269	1.8
404.19797	0.5
405.20407	0.5
417.20844	2.0
418.21896	0.6
419.22205	1.8
430.17175	0.6
431.18127	3.0
433.24167	3.0
434.24084	0.6
445.19821	3.4
446.21091	1.9
447.21902	1.9
459.21829	2.0
460.22498	5.2
461.23419	5.1
473.23642	1.3
505.22787	0.6
519.24402	0.5
519.27258	0.5
547.27032	30.9
548.27228	1.6
579.29651	0.9
607.29114	100.0
608.29590	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.3
55.01862	7.7
55.05516	30.0
57.03436	7.0
57.07071	3.3
65.03939	6.9
67.05509	77.9
69.03419	16.1
69.07064	30.6
71.05000	6.5
74.56468	3.6
77.20345	3.1
79.05486	54.6
81.03422	53.3
81.06578	6.2
81.07057	100.0
83.04985	15.0
83.08625	20.7
85.02905	7.7
85.06558	4.1
91.05484	44.9
93.07045	58.6
95.04971	13.8
95.08605	33.6
97.02902	11.4
97.06546	11.5
97.10168	4.6
105.07024	28.7
105.24461	3.0
107.04927	3.5
107.08576	31.4
109.02886	13.6
109.06516	5.8
109.10166	8.0
111.04452	6.0
111.08104	5.8
114.17211	3.7
115.05505	3.9
117.07018	19.6
119.08585	20.1
121.10156	22.3
123.11707	7.4
127.03896	5.2
129.06989	16.0
131.08586	19.7
133.10141	14.9
135.11707	10.8
141.07004	4.9
143.08566	11.8
145.10126	10.5
147.11716	20.8
149.09627	4.2
149.13243	27.4
155.08571	6.8
157.10121	8.1
159.11691	20.0
167.08649	8.6
169.10158	6.9
171.11655	8.6
177.12778	9.7
181.10223	4.5
183.11696	7.1
185.13260	5.0
193.10136	6.2
195.11722	5.7
195.13823	11.4
197.13258	3.8
199.14740	4.1
207.11790	4.4
209.13310	6.9
221.13161	5.6
221.15166	3.6
223.14766	4.3
237.16379	4.1
261.15237	3.9
267.16006	7.8
269.17493	8.7
321.17355	4.1
339.18030	10.3
395.20416	9.3
445.29288	8.5
463.30447	10.0
515.38696	5.6
589.32813	4.4
607.34528	67.0
607.43481	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01093	0.5
53.03941	1.4
55.01876	0.8
55.05509	3.4
57.03430	0.8
57.12552	0.5
62.20122	0.5
67.05503	9.2
69.03430	1.9
69.07064	3.6
71.04997	1.0
71.09993	0.5
71.58572	0.5
71.58946	0.5
75.53400	0.5
76.76530	0.5
79.05489	7.7
81.03419	6.9
81.07058	13.1
83.04992	1.9
83.08618	2.0
91.05489	5.5
92.55099	0.6
93.07048	9.1
95.04977	2.1
95.08601	4.4
97.02893	1.9
97.06544	2.0
99.08124	0.7
99.38575	0.6
105.07018	2.7
107.08603	4.5
109.02892	1.3
109.06547	0.8
109.10193	1.4
111.04472	1.6
111.08079	1.2
114.75256	0.5
117.07027	1.8
119.08599	2.7
121.10172	1.6
127.03928	1.2
129.06999	1.2
131.08583	2.0
133.10173	2.4
135.08089	0.8
135.11723	0.8
143.08617	0.8
145.10147	0.7
147.11697	1.7
149.13210	3.4
157.10126	0.7
159.11702	1.5
165.12897	0.6
170.60886	0.5
177.12807	1.2
179.71481	0.5
192.32773	0.6
195.13844	2.3
204.78716	0.6
213.14883	0.5
220.89056	0.5
257.47400	0.6
267.16156	0.6
267.34796	0.5
269.17612	2.4
272.63675	0.5
303.16141	0.8
309.12714	0.5
336.66760	0.6
339.18036	2.2
375.16260	1.1
376.17099	0.6
387.11969	0.7
388.17102	0.8
389.17590	3.1
390.18460	1.2
395.20786	1.8
402.18872	0.9
403.19684	3.7
404.20026	1.8
405.20776	3.2
416.16214	0.9
417.16183	3.8
417.21210	2.1
418.21991	0.8
419.22427	5.2
420.22549	0.6
431.18240	6.3
432.19092	3.5
433.20160	3.5
445.20074	5.4
445.29620	0.9
446.20953	8.8
447.21808	7.6
448.23190	0.7
459.22153	1.8
460.18698	0.9
461.19415	1.1
463.30615	1.2
474.20563	3.8
475.21033	4.1
477.23245	0.8
478.23651	1.7
487.21353	2.6
491.20093	2.7
501.22852	1.0
503.24380	0.8
505.22113	0.9
512.42975	0.6
519.24115	13.5
547.23389	9.8
579.26086	6.1
607.25580	100.0
607.34589	9.1
608.25824	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	607.215
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24384	0.5
55.06853	0.4
56.86630	0.4
59.76374	0.4
61.52115	0.4
67.05495	0.5
71.58751	0.6
73.58491	0.4
79.05494	0.5
81.07039	0.8
84.19898	0.4
89.11127	0.4
91.05490	0.6
92.51215	0.4
97.02879	0.6
99.70648	0.5
109.02879	0.4
137.06003	0.5
142.13940	0.4
153.01765	0.7
165.09137	0.4
177.05223	0.8
245.33171	0.5
289.05457	1.0
299.09155	0.9
300.09326	0.8
301.09882	0.7
317.50043	0.5
361.10516	1.6
363.11996	0.6
365.09979	1.2
377.09940	1.8
379.11563	0.8
380.12357	2.0
392.12488	1.9
393.12860	0.6
395.10941	2.6
410.13400	9.1
410.18835	0.6
411.14145	1.3
423.14633	0.5
435.10303	0.5
445.40091	0.4
559.19562	0.7
577.20398	1.2
607.21442	100.0
608.21545	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	607.2547
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
59.94070	0.7
69.07230	0.7
70.72769	2.1
119.58116	0.7
126.66502	0.8
146.18140	0.8
345.98993	0.7
374.15363	0.9
375.16119	1.3
387.16183	0.9
388.16919	1.5
389.17715	4.0
390.18384	1.7
391.18979	0.9
402.18610	1.2
403.19522	4.0
404.20056	2.0
405.20804	3.2
416.15945	1.0
417.16028	4.0
417.20999	3.3
418.17197	1.2
418.22083	1.5
419.22476	6.8
424.39597	0.8
425.46210	0.7
430.17551	1.1
431.18427	8.7
432.19473	2.8
433.19781	3.6
442.61630	0.7
445.20114	5.6
446.20987	6.9
447.21738	7.9
459.17181	1.4
459.22729	1.1
460.23016	1.0
461.19400	1.7
473.23468	1.3
474.20389	6.1
475.21054	4.3
478.23712	0.9
487.21436	1.2
491.20032	3.3
501.22498	1.6
505.21667	1.0
519.24023	14.2
547.23151	11.7
579.25970	6.1
607.25446	100.0
608.25604	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	607.2549
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
55.05506	2.4
60.02754	1.4
67.05500	2.1
69.07083	1.6
69.30512	2.3
69.30907	13.6
79.05488	4.0
81.07054	2.5
91.05490	3.7
93.07082	1.7
95.08619	1.8
105.07023	3.4
119.08573	4.0
121.10152	1.5
124.92868	1.3
131.08603	3.0
133.10115	3.4
145.10110	1.8
150.96062	1.4
161.34102	1.3
185.00836	1.4
191.27245	1.4
239.37125	1.4
275.20013	2.0
335.66907	1.4
374.82770	1.5
389.17563	4.6
391.19373	1.9
403.19348	8.3
404.19794	2.6
405.20657	2.3
415.57428	1.5
416.16165	3.8
417.16913	4.9
417.21439	3.1
418.21957	2.2
419.22531	8.7
431.18378	11.2
432.19681	5.3
433.20093	2.6
445.20358	8.5
446.20959	9.6
447.21683	14.0
459.17520	2.0
459.22794	2.1
461.20004	2.7
474.20578	16.4
475.21259	16.0
487.21307	3.1
491.20444	3.2
518.23328	1.6
519.23914	15.9
520.24023	1.5
522.81726	1.6
547.23376	90.0
548.23547	5.2
561.24957	1.9
579.26117	4.4
589.24365	1.8
607.25513	100.0
607.40027	2.6
608.26031	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	607.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81292	0.3
58.51536	0.4
59.44265	0.4
69.47829	0.6
69.48229	2.8
82.72575	0.3
85.00259	0.3
100.19860	0.3
107.99532	0.3
285.07687	1.5
297.07639	1.3
309.07443	0.5
343.11780	0.5
395.11090	3.7
410.13333	8.9
411.14282	0.5
435.66974	0.4
445.12790	0.6
489.35590	0.4
607.21466	100.0
608.22040	2.4
616.49384	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2148
Annotation	Kadsuphilol L
Peak:m/z	Relative Intensity
50.87074	0.4
52.64471	0.4
60.19470	0.5
70.06592	0.6
70.40220	2.0
75.68731	0.5
97.02907	0.6
98.20778	0.5
101.57893	0.5
105.07082	0.6
116.16067	0.5
151.38837	0.5
217.08385	0.6
361.10645	1.4
362.39859	0.5
365.09958	1.2
371.12555	0.6
377.10049	1.6
379.11588	0.5
380.12311	0.8
392.12463	1.7
395.10995	3.0
410.13321	10.0
411.14157	1.5
577.20428	1.4
607.21509	100.0
608.22314	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77270	0.9
70.88391	2.8
75.60953	0.8
76.59718	0.8
91.05469	1.3
93.07031	1.0
97.02858	1.4
131.76813	0.9
146.96458	0.9
169.36725	0.9
178.70961	0.9
373.56979	0.9
379.99060	0.9
395.11105	2.6
410.13373	10.3
413.56171	1.1
537.00623	0.9
537.59900	1.0
604.12512	1.0
607.21448	100.0
608.21777	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	606.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67641	1.7
53.94491	1.8
63.97184	1.7
67.05498	2.2
68.20281	1.9
69.80743	11.7
73.04765	3.6
77.00600	9.3
79.02216	2.0
81.07058	2.2
89.06013	12.5
91.05814	13.8
93.03706	3.8
95.01645	100.0
106.88409	1.5
113.02673	9.5
114.07368	2.8
117.07312	6.7
117.09116	2.0
118.03188	13.3
119.01633	5.0
121.03183	10.7
133.08600	2.3
145.06815	18.2
146.00420	1.7
147.04724	83.9
155.95941	1.8
161.09898	3.4
165.05804	21.0
169.03520	3.8
189.09372	8.7
191.07350	30.2
208.38437	1.9
233.12070	2.8
235.09952	6.2
239.09500	12.2
252.43387	1.8
279.12805	1.8
343.54355	1.8
409.22327	4.7
524.35748	2.3
606.40259	2.7
607.25165	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	13.1
55.05507	33.3
57.03433	10.3
57.07080	53.5
63.22840	4.8
64.97751	5.0
67.05508	68.7
69.07063	31.8
69.49731	35.3
69.50139	10.6
71.03176	5.1
71.04974	5.9
71.08629	34.5
79.05495	51.5
81.07053	94.1
83.08641	29.4
85.06556	7.8
85.10161	20.3
91.05470	38.0
93.07045	36.7
95.04951	13.7
95.08607	74.6
97.06535	26.2
97.10175	14.1
105.07039	38.1
107.04951	21.6
107.08595	48.1
109.06495	15.2
109.10148	26.4
117.07035	10.3
119.08595	33.8
121.06493	7.3
121.10139	17.0
123.08060	6.5
123.11701	19.1
125.09636	9.0
131.08568	17.6
133.10114	20.0
135.08037	9.5
135.11665	7.5
137.13258	5.6
143.08429	5.6
145.10110	24.9
147.11745	24.9
149.09595	22.9
159.11665	8.0
161.13168	5.3
163.11142	14.2
177.12697	6.2
227.12781	11.8
229.19441	6.2
239.23640	11.3
257.19070	12.1
275.20047	100.0
293.21115	10.1
303.68994	6.1
313.27423	65.3
349.23685	39.2
373.49048	6.4
510.67560	5.6
587.47015	33.4
605.39447	9.8
605.49219	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	605.4771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53242	5.4
55.05507	27.2
57.03430	17.3
57.07076	47.0
62.33877	5.1
62.39369	5.6
64.28020	5.2
67.05505	52.1
69.07064	18.0
71.05001	8.4
71.08631	29.6
71.57558	8.5
79.05491	37.2
80.00418	5.2
81.07063	57.1
83.08617	25.4
85.10178	18.3
91.05486	53.3
93.07034	42.8
95.04993	6.5
95.08605	55.9
97.10191	8.5
105.07018	52.9
107.08594	25.4
108.62154	5.1
109.10159	24.6
117.07033	24.5
119.08607	42.9
121.10126	17.3
123.08020	8.6
123.11700	13.4
129.06990	14.3
131.08571	29.9
133.10130	24.5
143.08525	13.3
145.10121	31.5
147.11679	27.9
149.09647	12.7
157.10184	9.8
159.11662	28.2
171.11774	9.4
173.13283	12.8
175.14742	6.0
183.11722	6.8
185.13278	31.5
187.14824	5.7
201.16411	7.4
203.14316	21.0
205.15878	26.0
219.17435	48.5
220.04686	7.2
239.18013	11.9
239.23813	11.7
257.19046	28.3
275.20078	100.0
275.33694	5.9
284.58377	5.5
293.21237	13.4
302.04614	5.8
307.60147	6.2
313.27399	98.8
317.31717	6.2
331.22668	11.5
349.23801	47.1
460.07761	5.4
587.46954	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.1
57.03428	14.2
58.97308	3.1
59.24698	3.2
59.35231	3.8
61.29948	3.1
67.05511	18.7
69.07066	12.1
71.04991	54.5
75.04461	11.3
79.05481	13.9
81.07052	37.5
83.04958	6.8
83.08614	7.7
85.02906	100.0
91.05466	15.1
92.21010	3.3
93.07054	26.6
95.08606	78.6
97.10181	4.3
98.40907	4.1
105.07037	25.0
107.08580	45.4
109.10167	41.9
111.08083	15.8
117.06966	5.9
119.08569	26.9
121.10142	34.0
123.11713	16.6
129.05521	21.8
131.08580	9.5
133.10123	30.2
135.11714	24.9
137.13237	5.9
139.11200	5.6
143.08598	4.3
145.10129	13.5
147.06490	6.7
147.11708	22.0
149.13254	14.3
159.11711	13.7
161.13234	18.1
163.14821	18.8
169.10220	4.3
173.13254	11.0
175.14848	15.5
177.16393	12.8
187.14847	8.2
189.16418	17.6
191.18016	7.5
193.15839	6.6
195.17415	6.3
199.14725	5.2
201.16435	18.2
203.17989	33.5
207.17474	11.1
215.17938	12.3
217.19492	16.2
219.17461	7.5
221.19017	8.1
227.17998	7.3
229.19547	15.1
233.19073	9.7
237.02846	4.4
245.18855	5.7
247.20593	19.7
257.22549	4.8
303.56027	3.6
383.33047	4.9
405.35184	9.7
423.36252	59.4
441.37292	52.1
475.04489	4.1
481.44852	4.4
577.74274	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	605.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	1.0
55.49686	0.8
60.70065	1.0
67.05495	1.2
69.03426	1.6
69.54755	2.3
69.55166	6.1
70.06583	1.2
79.61118	0.9
81.07045	2.4
85.02888	1.4
88.17039	0.9
97.02901	2.6
105.88312	1.0
109.10167	1.9
113.08914	1.1
114.53360	0.9
123.04424	1.4
131.38449	0.9
132.38905	0.9
137.06085	0.9
137.09590	1.5
139.16634	1.0
147.04361	0.9
161.09651	2.0
163.03842	2.2
165.09137	1.8
179.28326	1.0
207.10156	1.2
291.48123	1.1
299.09079	3.1
366.75369	1.1
378.10770	1.3
393.09528	1.6
408.11755	6.7
575.18848	1.3
605.19904	100.0
606.20593	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	605.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19925	2.1
53.03950	5.8
55.01872	6.4
55.05512	23.6
57.03441	34.0
59.05012	2.5
59.64298	2.3
65.03936	5.1
67.05502	52.7
69.03442	3.9
69.07070	18.5
70.04177	9.3
71.04996	4.5
72.28139	1.9
74.80590	2.5
77.03939	3.1
79.05495	51.6
81.03417	2.9
81.07053	52.2
83.04988	3.2
83.08593	11.5
85.06549	6.5
85.62872	2.2
91.05478	64.5
93.07043	46.9
95.04970	8.9
95.08603	38.7
97.06526	3.1
97.10195	5.3
97.58938	2.5
98.21441	3.9
98.98464	2.5
99.08088	12.6
101.80620	2.5
101.85014	2.2
103.05481	3.2
105.07033	54.9
105.07681	4.1
107.04968	5.7
107.08590	24.0
109.06537	5.2
109.10147	12.3
111.08083	3.0
113.09653	4.2
115.05482	6.8
116.06223	2.5
117.05251	2.9
117.07017	45.8
119.08580	31.0
121.06479	2.6
121.10133	14.8
123.08096	3.6
128.06245	9.7
129.07016	27.0
130.07820	5.1
131.08568	48.4
133.10147	19.9
135.11670	12.5
137.09604	2.5
141.06937	11.7
142.07773	4.7
143.08559	29.9
145.10110	41.5
147.08040	2.7
147.11690	13.5
149.09633	6.5
151.11307	3.3
153.07031	4.2
154.07784	4.4
155.08551	22.8
156.09331	3.5
157.10115	29.5
159.11684	22.9
161.13312	4.7
163.11145	3.3
165.06998	5.4
166.07846	4.3
167.08562	15.6
168.09369	5.5
169.10127	26.6
171.11690	18.0
173.13324	8.7
175.14891	4.6
177.12770	3.0
178.07805	2.7
179.08536	7.1
179.24992	2.3
180.09343	5.2
181.10117	23.7
182.10710	2.8
183.11688	22.6
185.13214	19.0
189.12675	3.6
191.08589	3.9
192.09325	5.6
193.10135	15.6
195.11717	21.7
196.12447	2.9
197.13248	11.3
199.11200	3.6
199.14874	5.0
203.08498	2.5
203.14262	4.0
205.10144	8.6
206.10912	5.1
207.11636	15.7
208.12488	3.4
209.13258	16.0
211.14876	9.5
215.18011	3.2
217.10150	3.0
219.11777	10.4
219.17503	7.8
220.12325	2.4
221.13342	13.8
221.15179	2.4
223.14822	11.2
225.16458	5.0
229.19591	2.9
231.11696	2.9
233.13271	9.3
235.14845	8.5
237.12714	5.5
237.16570	7.3
239.17926	11.7
241.15866	3.6
245.13318	4.6
247.14886	4.6
249.16394	4.3
251.17856	3.1
257.16495	2.4
257.18872	11.7
259.14774	3.6
261.16562	3.6
263.18042	3.3
265.15881	3.0
275.20224	14.3
291.17349	2.9
295.20667	3.0
313.21677	9.1
319.20682	3.5
321.22363	2.9
347.23663	3.1
349.24008	8.1
361.24951	2.6
377.24695	2.9
419.29492	4.9
459.32910	5.6
477.33670	4.0
508.49338	2.6
513.37268	15.6
531.38422	18.3
533.36310	7.5
549.39410	10.4
587.40808	8.3
605.33807	3.5
605.42010	100.0
606.42010	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	604.8881
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	6.0
56.96824	1.3
60.64495	1.3
62.52080	1.4
71.41175	3.2
84.28644	1.2
98.96934	2.5
98.97578	40.0
105.89890	1.2
116.98616	51.9
134.99657	47.4
140.00200	3.1
153.00710	9.3
158.01231	5.0
168.19806	1.3
190.95438	2.7
208.96428	3.3
232.96429	7.5
233.33136	1.4
250.97481	6.2
256.96375	16.0
273.99362	1.7
274.97510	100.0
290.94839	2.7
292.98560	95.1
297.99072	15.0
314.84372	1.6
316.00137	11.2
346.90445	1.8
364.91711	1.4
380.88873	2.0
418.83206	1.5
430.92715	10.2
448.93677	21.8
466.94489	2.5
471.95270	4.9
527.72760	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.2
55.05496	0.3
63.32461	0.2
65.21275	0.2
67.05485	0.5
69.03417	0.3
70.90370	0.6
79.05472	0.3
81.03403	0.2
81.07024	0.3
85.02910	0.3
86.70036	0.2
91.05471	0.3
95.08602	0.3
96.93022	0.2
97.02876	0.5
100.11259	0.4
105.07011	0.2
107.08613	0.3
109.06512	0.3
109.10152	0.4
111.04433	0.2
121.06485	0.2
124.01563	0.2
127.03974	0.2
130.20120	0.2
132.05724	0.6
133.06465	0.3
133.10132	0.2
135.04407	0.2
137.05942	0.7
137.09564	0.3
139.03893	0.2
153.01788	0.2
161.09607	0.4
163.03944	0.2
165.09184	0.4
167.03351	0.3
168.05708	0.3
169.01358	0.2
181.06485	0.2
182.07253	0.5
183.08038	0.9
184.03690	2.4
185.06049	0.3
196.05164	0.4
197.06010	0.6
200.08340	0.3
201.29071	0.2
209.16420	0.3
210.06738	0.3
211.07529	1.8
213.05508	0.5
224.04683	0.2
225.05466	0.2
227.06981	1.4
228.07832	0.8
239.07013	2.8
241.04941	1.0
243.10141	3.8
253.04990	0.2
255.06586	0.6
256.07306	6.2
256.10040	0.3
267.06485	0.9
268.07016	0.2
283.06009	1.6
284.06778	15.2
299.09128	100.0
300.09427	0.6
321.24243	0.2
391.54401	0.2
615.32159	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	603.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90146	4.1
53.03938	6.6
55.01884	29.1
55.05268	6.1
55.05514	78.8
57.07066	5.1
65.03944	5.0
67.05505	100.0
67.14146	4.8
69.03426	6.6
69.07066	55.3
69.51339	6.4
69.51745	34.7
71.04987	8.4
74.15879	4.2
76.95434	4.1
79.05495	78.0
79.38530	4.6
81.03425	12.5
81.07056	78.7
83.04979	10.7
83.08622	32.6
91.05487	65.4
93.07052	62.5
95.04966	27.9
95.08606	72.3
97.06526	24.8
97.10163	39.0
98.21540	7.1
105.07034	68.1
107.04967	11.0
107.08601	43.9
109.06532	13.6
109.10149	36.1
111.08064	5.6
115.05462	4.6
117.07022	24.7
119.08597	48.5
121.06467	7.5
121.10166	23.3
123.08025	9.5
123.11722	9.2
125.09657	36.5
128.06294	4.7
129.06995	22.1
131.08566	30.9
133.06532	7.1
133.10136	39.8
135.08040	9.5
135.11722	13.4
137.09607	6.9
141.06938	5.4
143.08557	9.1
145.10115	34.9
147.08069	4.4
147.11705	23.4
149.09633	18.0
149.13266	5.7
151.11209	6.4
155.08537	12.7
157.10120	17.3
159.08073	5.6
159.11710	23.5
161.13322	5.9
163.11247	7.3
163.14815	6.4
169.10181	8.5
171.11702	18.5
173.09764	4.5
173.11725	11.0
173.13254	15.5
175.11180	4.8
177.12747	7.7
183.11740	11.1
185.13184	7.8
187.11197	5.4
187.14937	7.2
189.11284	23.5
189.12709	5.1
199.14890	6.2
211.13258	6.9
217.16032	5.6
219.13853	4.0
227.18082	6.5
237.11186	7.3
257.18991	10.9
274.01138	4.1
275.20068	81.0
277.21463	7.0
291.19556	23.2
293.20990	9.3
301.21494	6.8
303.19589	5.3
303.23175	6.3
319.22879	7.1
381.27997	5.7
383.29309	6.6
399.28824	10.4
473.32193	7.5
542.97992	4.6
549.39288	4.5
567.40216	16.9
585.41150	17.0
603.31561	4.9
603.42291	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	603.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90146	4.1
53.03938	6.6
55.01884	29.1
55.05268	6.1
55.05514	78.8
57.07066	5.1
65.03944	5.0
67.05505	100.0
67.14146	4.8
69.03426	6.6
69.07066	55.3
69.51339	6.4
69.51745	34.7
71.04987	8.4
74.15879	4.2
76.95434	4.1
79.05495	78.0
79.38530	4.6
81.03425	12.5
81.07056	78.7
83.04979	10.7
83.08622	32.6
91.05487	65.4
93.07052	62.5
95.04966	27.9
95.08606	72.3
97.06526	24.8
97.10163	39.0
98.21540	7.1
105.07034	68.1
107.04967	11.0
107.08601	43.9
109.06532	13.6
109.10149	36.1
111.08064	5.6
115.05462	4.6
117.07022	24.7
119.08597	48.5
121.06467	7.5
121.10166	23.3
123.08025	9.5
123.11722	9.2
125.09657	36.5
128.06294	4.7
129.06995	22.1
131.08566	30.9
133.06532	7.1
133.10136	39.8
135.08040	9.5
135.11722	13.4
137.09607	6.9
141.06938	5.4
143.08557	9.1
145.10115	34.9
147.08069	4.4
147.11705	23.4
149.09633	18.0
149.13266	5.7
151.11209	6.4
155.08537	12.7
157.10120	17.3
159.08073	5.6
159.11710	23.5
161.13322	5.9
163.11247	7.3
163.14815	6.4
169.10181	8.5
171.11702	18.5
173.09764	4.5
173.11725	11.0
173.13254	15.5
175.11180	4.8
177.12747	7.7
183.11740	11.1
185.13184	7.8
187.11197	5.4
187.14937	7.2
189.11284	23.5
189.12709	5.1
199.14890	6.2
211.13258	6.9
217.16032	5.6
219.13853	4.0
227.18082	6.5
237.11186	7.3
257.18991	10.9
274.01138	4.1
275.20068	81.0
277.21463	7.0
291.19556	23.2
293.20990	9.3
301.21494	6.8
303.19589	5.3
303.23175	6.3
319.22879	7.1
381.27997	5.7
383.29309	6.6
399.28824	10.4
473.32193	7.5
542.97992	4.6
549.39288	4.5
567.40216	16.9
585.41150	17.0
603.31561	4.9
603.42291	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	603.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.5
55.01865	20.2
55.05513	42.8
56.16930	4.4
57.03433	20.3
57.07088	4.8
67.05504	59.0
68.99780	4.9
69.03423	14.7
69.07067	18.5
71.04987	14.3
71.25888	10.1
79.05488	69.6
79.34318	4.7
81.02976	7.3
81.03419	79.5
81.07060	66.0
82.06570	4.6
83.04966	25.7
83.08618	25.6
83.89812	4.0
85.02893	39.2
85.06515	4.0
91.05486	58.5
93.07030	46.0
94.06580	7.4
95.04970	69.0
95.08607	26.1
97.02906	13.8
97.06522	11.4
97.10177	16.4
103.05475	13.2
105.07030	50.0
107.04967	33.7
107.08612	20.4
109.02889	16.5
109.06519	13.5
109.10135	14.7
111.04440	14.8
111.08057	9.7
115.05467	16.5
116.98618	4.5
117.07030	24.7
119.04964	14.0
119.08589	29.6
121.02881	10.3
121.06548	25.8
121.10121	22.6
123.04440	11.3
123.08046	9.2
123.11708	4.5
125.09637	14.6
127.03940	7.4
128.06206	10.0
129.07010	22.7
131.04939	24.2
131.08568	24.9
133.06502	15.7
133.10097	19.8
135.04456	5.1
135.08087	11.2
135.11707	7.5
136.07585	6.6
137.02368	13.5
137.06000	14.7
137.09569	5.7
139.03877	19.5
141.07022	7.4
143.08572	14.3
145.06471	28.0
145.10109	18.8
147.04390	19.4
147.08057	15.1
147.11693	22.3
149.06003	10.7
149.09575	9.9
153.05617	6.2
153.06911	9.1
155.08521	4.3
157.06474	11.8
157.10146	14.5
159.08066	12.4
160.05225	8.1
161.05986	29.2
161.09601	4.5
163.03888	7.1
163.11212	15.7
165.05559	5.3
165.09077	4.6
167.08636	7.1
169.10086	9.2
171.04471	4.2
171.08078	18.7
173.05992	38.9
173.09618	8.5
173.13356	4.9
174.06781	9.0
175.03918	7.5
175.07600	5.8
175.11256	5.1
177.05516	12.5
181.05025	5.5
181.10133	5.1
181.12268	7.2
183.08076	6.7
185.06013	7.6
185.09628	8.0
185.13316	5.1
187.07530	22.7
189.05486	67.4
189.09155	8.6
189.11116	8.3
191.10585	7.2
193.10515	7.8
193.12181	39.3
197.05983	7.8
199.07477	10.9
201.05504	5.4
201.09152	6.5
211.07529	6.4
211.13281	37.4
213.05504	4.6
227.12651	6.2
229.12144	5.2
237.02840	5.3
239.02296	4.7
255.13840	13.9
256.02463	8.5
265.12494	4.4
267.15948	9.5
271.13687	6.0
273.14771	33.5
279.11212	10.8
280.11591	12.7
281.11966	10.7
283.13385	18.6
285.14392	5.5
285.17050	17.6
289.14255	7.9
295.17075	5.4
297.12183	5.8
298.12625	10.6
301.14328	100.0
311.13107	4.5
315.15869	7.5
319.15411	17.5
338.12283	6.2
339.13013	9.1
340.13577	10.2
341.13968	11.2
341.17548	13.9
343.15280	9.7
357.16949	9.3
358.07394	7.7
373.09564	11.7
375.17938	23.3
376.08371	5.7
391.10718	8.4
393.19034	7.1
415.10739	5.1
461.18781	6.7
462.19354	14.9
475.25046	4.7
480.20508	6.7
493.26059	7.8
511.26874	9.7
517.14008	20.3
529.27545	4.8
543.29327	4.8
553.35565	4.9
557.31470	5.1
567.29266	14.4
573.30634	20.1
585.30609	81.7
603.14941	8.5
603.31885	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39807	5.4
53.03927	13.0
54.12921	5.3
55.01881	26.2
55.05519	48.6
57.03434	21.7
66.47013	5.9
67.05503	59.1
68.99810	6.0
69.03439	17.7
69.07059	18.8
70.94141	18.1
71.04995	8.7
78.18517	6.0
79.05500	69.5
81.03413	68.7
81.07062	75.8
83.05009	18.9
83.08624	34.7
85.02898	39.4
91.05480	71.2
93.07028	38.3
95.04965	69.1
95.08623	29.2
97.02899	14.6
97.06561	12.6
97.10174	23.0
103.05454	12.1
105.07037	54.5
107.04973	27.5
107.08594	33.1
109.02882	19.2
109.06551	10.7
109.10159	17.7
111.04501	13.8
111.08084	14.3
112.86735	6.1
115.05492	21.1
116.67529	5.9
117.07034	26.4
119.04954	10.2
119.08592	27.5
119.09386	6.0
119.10369	6.3
121.02927	12.6
121.06524	17.6
121.10161	26.7
123.04415	46.6
125.09641	18.2
127.03909	8.0
128.06187	8.0
129.07021	31.2
131.04921	23.6
131.08589	18.7
133.06496	24.9
133.10135	22.6
135.04414	6.8
135.08063	10.4
135.11696	10.7
137.02339	14.8
137.06021	13.3
139.03900	8.7
141.06993	10.9
143.08559	7.5
145.06493	19.4
145.10130	20.8
147.04428	19.6
147.08122	10.2
147.11694	18.2
149.02344	18.8
149.06001	13.8
149.09673	16.4
153.05470	22.9
155.08530	14.6
157.06485	19.1
157.10120	11.1
159.08069	12.8
160.05219	7.7
161.06007	28.8
163.11192	14.9
165.09161	13.6
167.08537	8.1
171.08092	11.4
171.11592	8.3
173.05954	43.7
174.06750	8.6
175.11209	10.6
181.05000	13.4
181.12340	5.9
185.05998	9.6
187.07593	23.2
189.05431	31.7
189.09337	5.8
189.11253	14.9
191.05591	6.7
193.12270	21.8
195.08032	6.9
201.05482	9.1
201.09146	11.5
211.07564	10.2
211.11534	6.4
211.13239	32.0
213.09207	6.7
227.12674	9.7
257.15411	13.7
267.06573	8.2
267.16141	7.2
271.13458	6.6
273.14743	29.7
275.09210	29.9
281.15439	5.7
283.13348	19.3
285.14514	13.7
285.17075	18.6
297.15033	6.9
299.09067	10.9
299.16336	8.2
301.14337	78.8
311.16644	7.4
315.16132	6.9
319.15665	13.7
323.16476	7.9
341.17648	20.0
343.15463	16.3
361.16406	7.7
375.17914	13.9
393.19098	9.7
405.80261	7.4
475.24664	7.7
493.25699	12.6
511.26660	13.4
543.29407	15.9
567.29730	28.4
573.30713	19.7
585.30615	100.0
603.31805	73.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.1
55.01865	15.8
55.05510	38.3
57.03428	12.5
60.04950	3.2
67.05168	4.7
67.05505	53.3
69.03449	8.3
69.07059	15.4
69.44902	31.7
71.01352	3.4
71.04993	10.6
79.05493	62.6
81.03424	66.0
81.07059	49.8
81.48329	3.1
81.59019	3.3
83.04967	23.5
83.08620	29.2
85.02907	39.0
85.06548	3.8
91.05485	54.5
93.07057	33.5
93.76894	3.5
95.04969	59.8
95.08611	19.0
96.05335	3.3
97.02871	6.5
97.06512	9.0
97.10184	18.9
98.20754	6.3
103.05450	10.5
105.07030	38.6
107.04954	27.4
107.08579	24.5
109.02879	19.7
109.06515	8.2
109.10146	13.1
111.04428	11.7
111.08077	13.1
115.05451	17.6
117.07027	20.9
119.04955	9.9
119.08570	26.1
121.02898	8.9
121.06496	13.1
121.10137	12.8
123.04424	12.5
123.08066	6.5
123.11710	4.1
125.09644	18.8
127.03939	3.7
128.06296	7.3
129.07013	25.4
131.04912	19.2
131.08554	21.6
133.06494	19.7
133.10118	11.9
135.04433	6.4
135.08072	9.9
135.11734	7.5
137.02370	6.9
137.05919	8.0
137.09644	4.2
139.03893	8.0
141.07037	7.8
142.07823	5.8
143.08568	8.5
144.05710	4.5
145.06488	29.4
145.10143	10.0
147.04402	21.3
147.08054	9.8
147.11676	13.3
149.05966	9.4
149.09616	8.4
151.03903	5.2
151.52466	3.8
153.05579	3.6
155.08542	9.7
157.06462	12.6
157.10127	13.0
159.04407	4.5
159.08081	13.0
160.05148	5.2
161.06006	26.3
161.09621	7.6
163.11150	17.9
164.07098	7.3
165.12753	4.6
167.06985	4.0
167.08463	4.4
169.06445	6.2
169.10135	8.1
171.08041	8.0
171.11671	5.2
173.06004	39.0
174.06786	10.8
175.03873	4.6
175.07507	6.8
175.11203	7.8
181.04968	7.7
183.08038	6.3
185.05998	9.3
185.09607	5.0
186.06845	8.2
187.07503	22.3
189.05504	31.1
189.09224	5.1
189.11221	9.6
190.06273	4.6
191.07027	5.4
193.10497	5.2
193.12199	26.1
195.11670	3.7
199.07553	8.3
201.09113	4.2
205.12178	4.7
211.07535	5.5
211.13289	28.1
215.07027	4.5
227.12669	9.2
237.12730	4.9
243.13771	4.1
255.13823	14.7
257.15369	5.9
267.15927	6.4
271.13873	5.5
273.14929	27.3
279.11270	6.4
283.13162	19.8
285.14691	12.3
285.17032	13.3
289.14359	6.6
297.14856	4.0
299.16229	6.8
301.10934	5.0
301.14337	100.0
303.16095	4.2
313.14557	3.7
315.15952	7.5
319.15396	14.8
323.16458	8.7
325.14413	7.6
329.14050	3.8
341.17484	15.7
343.15268	12.1
357.16931	5.2
375.18207	18.6
384.94843	3.6
393.18994	10.9
436.22272	9.7
440.82803	5.0
447.25165	5.2
475.24960	7.5
493.25986	10.8
511.26721	15.4
525.28357	4.3
539.30005	5.1
543.29266	19.8
555.29297	4.3
557.30347	3.9
567.29559	23.3
573.30505	16.0
585.30676	97.3
603.31592	76.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.01892	1.2
55.05515	1.2
65.03925	1.1
67.05492	4.7
68.99786	7.3
69.03415	2.0
69.48777	7.9
72.28442	1.0
75.04709	0.9
79.05487	6.0
80.93148	1.2
81.03423	2.4
81.07053	3.1
91.05476	6.0
93.07035	1.3
95.04973	4.7
97.02874	1.3
105.07024	1.2
107.04961	10.8
107.08604	1.2
109.02908	1.5
111.04388	1.3
115.05470	1.6
119.04953	2.1
119.08605	2.3
123.04450	5.9
124.05247	2.6
125.05999	1.6
131.08591	1.8
133.02829	3.6
135.04419	15.2
137.02367	1.2
137.05974	1.5
138.03116	7.9
139.03972	0.9
139.07536	4.2
146.62070	1.4
147.04405	77.6
152.04680	1.9
153.01826	1.7
153.05467	44.3
154.98579	0.9
155.07004	2.5
159.08008	1.2
163.03911	24.6
165.06998	1.4
166.02586	1.2
167.07050	11.4
169.06532	1.4
177.05461	1.3
181.04958	8.0
181.06392	1.9
183.08037	1.1
185.06000	1.8
187.07458	2.0
191.06923	1.1
195.06447	1.7
197.05992	4.6
199.07523	2.1
199.48108	1.2
202.88506	1.1
210.06754	2.4
211.07603	1.9
213.05501	1.9
221.06052	2.5
224.04614	1.1
225.05553	2.4
226.06352	2.0
227.07050	1.4
237.05383	3.0
238.06259	7.1
239.07030	6.6
241.05003	3.0
251.06987	1.2
253.05075	2.5
255.06552	4.1
266.05771	6.7
267.06552	15.0
268.07358	2.1
269.04492	3.8
270.05167	1.2
272.06656	2.1
275.09192	2.5
283.02832	1.0
283.05988	6.0
284.06720	10.3
285.07520	3.4
287.05914	1.3
287.09106	3.6
295.06009	4.0
299.09134	100.0
300.09830	5.5
303.04901	1.4
311.09113	1.3
315.08600	36.1
339.08652	1.6
421.12735	3.1
431.11197	2.3
449.12286	3.8
451.13837	4.7
469.14920	9.9
475.13721	1.5
585.17218	4.6
603.30548	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.5
55.05499	2.1
58.66030	1.3
67.05495	5.5
68.99788	7.3
69.07053	2.0
69.48854	12.3
77.95760	1.2
79.05481	6.1
81.03407	1.8
81.07043	4.6
85.02905	1.9
90.48073	1.4
91.05478	6.2
93.07030	3.3
95.04967	5.3
95.08601	2.1
97.02885	1.3
97.10136	1.4
98.20778	3.1
105.07031	3.3
107.04959	12.9
107.08611	1.9
109.06489	1.4
109.10157	2.3
117.07024	1.9
119.04962	2.1
121.10125	1.9
123.04436	7.9
123.08050	1.2
124.05201	2.2
125.05916	2.2
131.08533	1.8
133.02855	4.7
135.04410	18.5
137.02342	3.8
137.05989	2.8
138.03137	9.4
139.03822	1.5
139.07521	3.1
147.04407	81.2
152.04712	2.2
153.05475	47.6
153.06767	2.3
155.07004	3.7
155.08604	1.5
157.10216	1.6
163.03908	26.2
165.06902	1.4
166.02701	1.4
167.07048	7.6
173.05968	1.6
181.04932	9.7
181.06401	2.6
184.05144	2.4
185.05981	2.1
187.03954	1.6
187.07478	2.9
189.05380	1.8
196.05164	2.9
197.05933	4.6
199.07489	3.0
209.05954	1.7
210.06706	2.6
211.07581	3.0
214.06248	1.7
221.05933	2.3
224.04697	1.5
225.12872	1.7
227.07101	1.5
237.05591	3.4
238.06136	7.1
239.07048	7.2
241.05003	2.9
243.06367	2.0
249.05504	2.0
253.04921	1.6
254.05853	1.6
255.06503	4.7
256.07297	2.4
265.05017	1.4
266.05801	9.5
267.06506	16.2
268.07281	2.4
269.04608	3.7
270.05017	1.8
271.05643	1.5
275.09122	1.7
279.06583	1.8
283.05981	7.3
284.06760	11.3
285.07538	3.4
286.08151	1.7
287.09198	3.0
295.06030	6.2
299.09134	100.0
300.09808	2.2
315.05215	2.0
315.08636	33.3
421.12662	3.2
431.11676	1.8
449.12152	2.5
451.13495	3.3
469.14847	8.9
475.13943	1.5
543.28217	1.7
575.33344	1.6
585.17053	4.5
585.30627	2.9
603.30756	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	602.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78962	1.8
56.96562	17.5
57.68723	1.9
65.15388	2.4
67.74203	2.0
70.17091	2.1
71.58035	3.0
73.88422	2.4
84.96045	5.0
98.97581	55.5
110.97565	4.9
116.98622	48.1
119.01882	2.3
128.98621	13.4
131.00208	4.7
134.99670	30.4
146.99666	17.7
149.01268	2.1
153.00711	4.0
158.99680	7.1
161.01205	4.5
161.02998	3.1
163.03899	2.5
165.00737	2.5
177.00752	15.4
189.00771	4.9
201.00766	3.1
208.02837	3.6
212.00043	2.8
219.01758	20.2
226.03873	17.3
235.02835	11.5
237.02759	49.4
238.01457	10.8
241.03954	4.2
244.04919	26.1
253.03839	23.5
255.03815	3.6
256.02585	6.3
260.04483	3.3
262.06067	4.6
268.04947	7.0
269.03461	5.2
271.04712	14.9
276.05292	2.2
277.03867	18.2
279.05377	5.5
286.06000	8.7
295.04846	27.9
296.03979	2.3
313.06110	5.8
328.06943	3.9
337.05975	6.1
364.04291	2.3
367.07043	2.9
370.08347	3.0
372.02667	2.1
397.08084	6.6
406.11362	3.5
415.09106	100.0
416.09482	3.2
433.10245	44.3
446.11502	4.9
456.11896	3.8
470.15891	2.7
558.16882	2.3
566.15424	3.4
584.16510	22.5
602.17444	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	602.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	5.5
55.01874	29.1
55.05492	7.1
55.23875	3.9
64.38641	3.5
67.05506	16.2
69.07046	4.0
71.11673	9.7
79.05466	7.2
81.03415	22.7
81.07047	13.4
85.02907	3.5
90.86300	3.5
91.05476	8.0
93.07029	5.8
93.93651	3.5
95.04942	8.6
97.02892	42.5
97.47482	3.1
98.03652	8.5
102.01894	5.8
105.07030	4.4
107.08588	3.5
109.02884	100.0
109.10133	4.0
119.08588	4.1
121.06541	3.6
121.10155	7.3
123.04436	27.7
124.04790	5.7
127.03927	37.9
137.02371	3.4
137.95013	3.7
145.10107	4.9
147.04399	8.7
151.17114	3.7
159.11600	3.7
161.05946	4.0
163.03922	4.6
167.06998	4.5
173.02135	3.6
177.05556	3.2
181.05005	20.7
228.05028	34.4
243.15692	4.2
275.67203	3.8
299.09225	9.0
310.22812	3.6
329.06049	5.3
420.11368	4.0
473.10501	4.8
520.10638	7.5
584.16614	5.5
585.56995	4.8
602.14105	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	601.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99201	5.4
53.03944	11.7
55.01855	5.8
55.05508	37.7
56.24547	5.9
57.07065	33.1
61.79167	5.4
67.05499	45.1
69.03426	18.1
69.07073	31.4
71.08624	17.1
79.05491	44.5
81.03421	59.4
81.07060	64.2
83.04981	15.2
83.08627	17.9
85.10191	7.5
86.61251	4.8
89.06024	5.3
91.05480	71.3
93.07048	80.0
95.04944	29.0
95.08615	64.0
97.06511	12.4
98.20685	8.9
103.05472	8.7
105.07033	100.0
107.04945	10.1
107.08595	77.8
109.06513	22.0
109.10168	41.5
115.05443	14.1
117.06993	32.6
119.08587	93.4
120.08881	6.5
121.06477	14.7
121.10141	85.8
121.10921	8.1
123.08040	25.5
123.11671	11.7
125.09603	11.1
128.06287	10.8
129.06996	18.0
129.76480	5.9
130.07857	7.7
131.04922	7.8
131.08543	56.8
133.06494	15.0
133.10132	61.7
135.08060	17.8
135.11696	19.0
137.09625	10.9
142.07790	24.8
143.08562	42.2
144.09322	16.5
145.10129	76.0
147.04427	11.0
147.08055	25.0
147.11697	21.8
149.09616	18.1
151.07492	9.4
155.08571	17.5
156.09332	25.1
157.10123	58.6
158.10840	8.7
159.04494	5.7
159.08058	16.2
159.11697	42.5
160.05222	22.4
161.05991	21.0
161.09615	22.0
161.13383	10.8
163.09877	6.1
163.11206	12.8
165.06952	6.6
165.09140	17.2
165.68639	5.0
167.08624	8.9
167.10651	45.6
168.09308	8.8
169.10150	30.9
170.10857	6.0
171.11690	37.3
173.06026	23.9
173.09691	7.9
173.13246	21.8
175.11168	12.7
175.14745	12.4
179.08600	10.8
180.09294	7.5
181.10114	21.2
183.11696	27.3
184.12398	6.8
185.13275	23.9
187.14842	7.4
189.09004	5.9
189.12790	6.0
191.14403	5.6
193.10118	16.4
194.10876	12.6
195.11740	26.1
197.13286	23.2
199.11203	6.9
199.14786	13.8
203.14276	8.5
206.10899	8.0
207.11659	12.0
208.12408	7.7
209.13269	20.2
210.10384	5.5
211.11258	5.5
211.14867	16.3
213.26071	5.4
219.11781	6.1
221.13431	13.6
221.15388	39.8
223.14816	15.3
225.12679	6.8
225.16310	11.9
229.81685	8.9
233.13289	7.1
233.15361	31.4
251.17834	6.8
255.17458	6.1
269.19135	6.1
271.13123	30.7
289.14337	15.5
295.20477	9.3
313.27353	23.3
345.16956	9.0
438.90543	5.7
583.41187	9.5
601.41516	84.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.9
55.05513	19.4
57.07075	9.5
65.03949	5.2
67.02501	2.8
67.05499	32.6
69.03423	14.8
69.07072	25.6
69.29671	6.6
69.30077	27.0
71.04990	5.1
71.08647	4.1
79.05496	35.9
80.03715	3.7
81.03421	4.5
81.07053	50.0
83.04979	23.1
83.08611	19.9
85.06528	8.1
87.04448	3.7
91.05481	55.5
93.07042	79.2
93.07632	4.9
95.04973	23.8
95.08592	38.3
97.06521	12.2
98.21573	5.8
103.05500	3.6
103.68632	3.1
105.04536	3.9
105.07028	92.2
106.07327	4.1
107.08593	72.2
109.06546	18.4
109.10146	35.4
111.08093	8.4
113.09624	5.0
115.05473	6.1
117.07021	24.4
119.08582	100.0
121.06492	9.7
121.10139	85.6
123.08044	20.9
123.11721	8.7
125.09637	8.3
128.06212	12.1
129.06995	10.8
130.07782	10.0
131.08557	40.7
132.09264	4.3
133.06541	5.3
133.10132	62.1
135.08073	16.4
135.11671	20.7
137.09637	11.6
139.11186	6.1
141.07014	9.1
142.07788	20.6
143.08578	39.9
144.09312	8.6
145.10127	65.7
147.08070	19.8
147.11708	24.8
149.09570	18.5
149.13232	4.3
151.07558	7.2
151.11145	3.1
153.07024	6.3
154.07774	5.4
155.08586	19.2
155.10698	5.3
156.09331	16.2
157.10127	61.0
158.10760	6.0
159.08083	16.9
159.11705	42.6
161.09586	13.3
161.13268	8.6
163.11195	13.0
165.06973	8.8
165.09138	18.1
167.08527	9.9
167.10675	48.2
168.09450	4.7
169.10114	29.2
170.10872	9.2
171.11667	28.1
173.09653	4.4
173.13261	26.9
175.11165	11.5
175.14827	12.1
179.08583	11.2
180.09299	6.9
181.10149	16.7
181.12238	5.1
182.10861	9.4
183.11630	25.2
185.09715	3.7
185.13274	20.9
187.11194	4.8
187.14838	11.6
189.12744	8.3
191.14252	7.1
192.09309	6.2
193.10147	11.4
194.10892	5.3
195.11717	19.6
196.12413	6.0
197.13211	23.6
199.14818	10.9
201.12779	4.5
201.16464	3.7
203.14290	5.3
205.10129	3.3
206.10818	5.4
207.11708	15.6
208.12318	5.3
209.13292	20.2
209.15125	4.2
210.13939	6.8
211.11075	4.4
211.14775	18.0
213.16341	7.2
215.14349	5.7
219.11618	4.5
220.12390	4.1
221.13245	12.4
221.15401	37.5
222.13939	5.5
223.14838	13.0
225.16383	7.7
227.14275	6.2
227.17928	3.5
233.13281	7.8
233.15417	28.7
235.14793	7.8
237.16342	12.1
239.18050	4.1
241.15894	3.8
243.17363	3.4
245.13358	4.8
247.14749	5.0
247.16983	4.0
249.16412	8.6
251.17896	5.6
257.19043	4.3
259.14880	5.2
263.18018	4.4
269.18954	6.2
273.18701	3.5
281.18945	5.6
283.20428	3.3
289.19382	5.0
293.18890	4.5
301.21622	4.2
349.25281	4.3
361.25302	3.6
416.10526	3.5
491.35263	3.4
565.40326	4.0
583.41119	9.4
601.43176	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	601.425
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10530	4.0
53.03945	5.4
55.01867	6.1
55.05514	21.2
55.64219	3.6
57.07065	15.6
62.65478	4.5
65.03934	5.3
67.05502	34.0
69.03430	17.2
69.07063	31.5
71.08630	10.1
73.64533	4.2
77.21568	4.0
79.05475	36.1
81.03397	8.7
81.07052	45.2
83.04975	19.7
83.08604	18.2
84.91312	5.2
85.06544	6.5
87.04454	7.3
88.30864	3.5
89.06028	19.3
91.05473	74.7
91.37972	3.9
92.10050	3.9
93.07050	70.3
95.04960	26.0
95.08614	45.4
97.06509	13.9
97.10141	4.1
97.49944	3.9
105.07030	100.0
107.08595	73.5
109.06506	17.6
109.10162	30.2
111.08060	5.8
115.05437	5.8
117.07018	19.5
119.07794	8.3
119.08584	86.4
119.56676	4.7
120.67814	3.9
121.06525	11.1
121.09318	6.5
121.10143	83.0
123.08061	19.6
123.11673	14.4
125.09621	11.9
128.06229	14.5
129.07034	19.0
130.07813	8.1
131.08559	45.7
133.06491	6.4
133.08624	7.8
133.10129	61.9
135.08023	14.7
135.11671	22.4
137.09616	6.3
139.11122	6.8
141.06970	11.7
142.07793	25.4
143.08577	37.5
144.09296	14.4
145.09061	5.3
145.10120	74.8
147.08067	11.7
147.11716	23.9
149.09579	18.1
149.13286	4.8
155.08540	16.3
155.10605	7.3
156.09294	16.4
157.10139	46.5
158.10858	11.6
159.08015	21.4
159.11705	34.0
161.09566	13.4
161.13268	6.8
163.11159	11.5
165.09070	8.1
167.08632	8.4
167.10675	57.1
169.10121	30.6
171.11702	31.8
173.09567	6.4
173.13306	22.5
175.11206	13.1
175.14821	13.2
179.08548	12.6
180.09267	4.8
181.10147	14.9
182.10881	11.4
183.11697	24.0
184.12297	5.7
185.13281	20.3
187.14760	11.4
189.12666	5.9
193.10132	15.7
194.10870	9.2
195.11688	22.8
196.12474	8.3
197.13240	23.6
199.14833	14.4
201.12822	5.8
201.16379	5.1
203.14348	7.0
205.10097	4.8
206.10881	6.5
207.11664	14.0
209.13239	25.9
210.13927	7.0
211.14761	14.2
213.12811	7.1
213.16357	7.0
219.11699	4.5
221.13206	13.0
221.15355	14.7
223.14793	17.9
225.16292	6.7
229.60518	5.2
231.11676	4.8
232.12537	7.0
233.13242	7.1
233.15350	31.7
235.14746	10.3
237.16301	7.8
249.16281	7.1
255.17456	4.0
263.18011	9.7
269.18912	6.9
275.12341	4.2
275.17847	6.0
300.47873	4.6
311.19946	6.2
482.29938	4.1
548.25800	4.1
583.41211	7.7
601.42145	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	601.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33374	8.8
51.44607	8.6
54.85902	8.6
55.05505	26.0
57.07077	15.7
59.83073	9.7
67.05518	49.9
69.03438	10.2
69.07066	27.0
69.62444	68.2
79.05499	37.3
81.07050	51.0
83.04977	9.3
83.08621	16.0
89.06064	12.3
91.05486	68.4
93.07049	88.2
95.04971	23.9
95.08631	49.5
97.06512	13.9
98.98468	10.5
105.07027	100.0
107.08598	90.1
109.06529	14.4
109.10181	36.7
111.08115	10.5
117.07037	32.8
119.08582	96.2
121.06465	11.3
121.10139	78.6
123.08059	16.6
125.09629	15.0
128.06206	9.7
129.07045	21.3
130.07870	11.0
131.08563	33.4
133.10115	68.5
135.08076	18.6
135.11707	29.0
137.09628	14.2
139.11142	11.5
141.07059	11.3
142.07811	25.2
143.08566	42.6
144.09381	11.7
145.10152	66.6
147.08148	15.5
147.11737	19.1
155.08542	11.2
156.09332	16.6
157.10196	54.0
158.10701	10.2
159.08032	20.2
159.11742	33.8
163.11142	14.9
165.09160	18.3
167.10689	48.4
169.10118	41.7
170.10818	10.6
171.11699	39.0
173.13297	24.9
174.13762	10.7
181.10194	21.4
181.12065	15.2
182.10921	14.0
183.11676	22.5
185.13307	19.0
187.14861	10.6
191.14230	12.4
193.10115	20.3
194.10870	11.5
195.11734	23.0
196.12442	14.6
197.09758	9.5
197.13243	26.9
199.14838	14.4
207.11765	12.1
209.13293	28.9
211.14853	17.5
221.13426	14.8
221.15294	47.8
231.42938	10.5
233.15398	22.7
235.15015	14.5
236.19632	10.3
249.16457	11.9
256.02829	11.3
273.18918	12.4
341.30453	17.0
526.85626	11.4
583.40753	13.6
601.42303	19.2
626.73138	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	601.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.3
55.05505	6.2
57.07072	11.0
59.05003	5.0
65.03948	2.7
67.05508	13.0
69.03426	9.9
69.07062	9.2
70.49268	8.7
79.05486	14.1
81.03531	1.9
81.07056	24.5
83.04981	6.5
83.08619	4.1
85.06548	3.5
87.79288	2.3
91.05482	28.2
93.07040	44.6
95.04967	8.5
95.08597	23.7
97.06531	3.7
98.21361	3.1
105.07039	39.2
107.08607	25.7
109.06493	12.2
109.10152	10.2
117.07028	9.2
119.08583	41.1
121.06477	5.8
121.10143	25.9
123.08081	17.0
125.06013	5.1
128.06230	4.9
129.07025	6.5
130.07878	3.3
131.08563	19.9
133.10124	26.3
135.08040	15.5
135.11716	8.1
137.09610	18.3
139.07607	2.8
141.06960	4.1
142.07797	10.5
143.08569	16.5
144.09262	3.4
145.10115	34.7
146.10446	3.4
147.08041	28.1
147.11681	9.8
148.08324	2.4
149.09659	8.0
151.07530	19.4
155.08574	4.9
156.09378	5.1
157.10149	23.9
158.10529	4.7
159.08113	2.7
159.11732	19.7
160.12105	2.5
161.09599	4.5
161.13263	8.3
163.11139	12.3
165.07039	3.2
165.09108	58.5
166.09471	4.8
169.10126	6.8
170.10826	5.1
171.11641	13.3
172.12265	2.2
172.69594	2.7
173.09644	4.1
173.13266	11.7
175.11203	7.2
175.14842	6.3
176.11469	2.2
177.09032	2.7
179.08528	2.4
179.10904	2.4
181.10143	5.7
181.12202	9.6
182.10896	4.0
183.11760	11.8
184.12128	3.0
185.13251	9.7
187.11252	5.0
187.14854	6.6
189.12738	6.2
191.10703	3.3
191.14217	4.7
193.10159	4.6
193.12260	5.1
194.10814	2.5
195.11711	5.8
197.13278	7.5
199.11264	3.8
199.14902	3.0
201.12675	3.3
203.14320	15.6
204.14734	3.2
207.11743	5.1
207.13835	8.5
209.13242	6.1
211.14838	5.4
213.12805	2.6
213.16336	2.5
217.15987	4.2
219.13757	3.0
221.13327	5.9
221.15358	100.0
222.15686	16.9
223.14763	4.9
224.15344	2.9
225.16245	3.5
226.13329	2.1
234.16147	5.0
235.14658	3.5
235.16708	2.4
237.16652	2.3
241.15808	2.6
247.16945	10.9
248.17323	7.6
265.19537	3.9
274.19299	2.7
275.19736	3.7
286.18991	3.3
287.20084	8.3
299.20035	3.0
300.20676	7.2
301.21753	4.2
312.20767	2.6
313.21628	3.2
325.21542	3.5
326.21991	2.2
332.80081	2.3
340.24014	2.4
341.24445	4.1
352.24051	5.9
353.24429	4.6
367.26459	5.0
393.27817	3.8
426.27136	3.3
427.27966	2.5
428.28989	3.9
440.29257	5.5
441.29456	8.3
491.35175	11.0
509.35910	7.2
520.35339	2.4
521.35754	7.3
526.50604	2.5
583.41553	6.8
601.42181	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	601.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.0
55.05509	23.6
57.07069	6.0
58.62754	3.2
59.04988	3.8
60.48112	3.0
61.13361	2.9
65.03934	6.3
67.05501	35.3
69.03415	12.7
69.07072	25.4
69.91792	16.1
71.04980	4.7
79.05489	42.9
81.07048	45.9
83.04987	23.5
83.08608	13.5
85.06527	9.1
87.04491	5.3
91.05478	58.2
92.05820	3.9
93.07045	74.6
95.04978	29.2
95.08592	35.9
95.49469	3.4
97.06541	16.9
97.10167	4.4
98.20583	3.1
103.05446	7.0
105.07030	100.0
107.04938	4.0
107.08597	74.2
109.06502	15.9
109.10149	34.0
111.08044	7.3
113.09609	4.7
115.05450	8.0
116.06173	4.3
117.07017	21.4
119.08582	91.0
121.06496	12.0
121.10140	86.2
123.08051	17.9
123.11706	11.2
124.68258	3.0
125.09630	12.3
128.06233	15.8
128.89992	3.1
129.07007	17.8
130.07756	9.5
131.08569	45.4
132.09213	3.6
133.10129	57.1
135.08022	14.2
135.11708	20.1
137.09587	6.7
139.11205	6.7
141.06963	9.3
142.07777	23.3
143.08563	46.0
144.09268	12.7
145.10120	63.1
147.07983	9.5
147.11655	20.2
149.09596	20.3
151.07590	4.8
151.11156	3.9
154.07745	4.6
155.08568	15.8
155.10606	6.5
156.09357	21.9
157.10123	56.8
158.10677	5.8
159.08040	16.3
159.11702	35.2
161.09592	15.6
161.13237	10.0
163.11183	9.7
165.06981	8.4
165.09155	7.1
167.08543	9.3
167.10681	59.1
168.09245	6.1
169.10126	29.0
170.10808	5.5
171.11696	38.1
172.12161	3.7
173.09590	10.1
173.13269	22.4
175.11165	11.7
175.14818	17.5
179.08504	9.1
180.09300	7.1
181.10109	16.0
182.10860	7.4
183.11700	20.9
184.12271	4.5
185.13206	20.0
187.11330	3.7
187.14827	9.6
189.12785	7.3
191.14243	7.5
192.09294	4.6
193.10106	16.2
194.10857	8.0
195.11700	25.1
196.12404	10.9
197.13277	27.2
199.11076	4.5
199.14819	14.3
201.12726	6.5
201.16330	6.9
203.14403	4.4
206.10915	9.4
207.11641	11.9
207.13675	5.0
208.12405	7.8
209.13295	25.6
209.14993	5.2
210.13838	5.8
211.14786	15.3
213.12798	6.3
213.16310	6.3
215.14359	5.4
217.15663	4.9
219.11656	7.0
220.12534	4.8
221.13167	9.5
221.15387	13.0
222.13855	4.0
223.11276	4.3
223.14807	12.1
225.12733	5.0
225.16360	9.2
227.14143	4.4
231.11754	5.2
233.13277	7.3
233.15352	31.8
235.14761	10.3
237.16393	7.0
245.13226	6.6
247.14830	7.8
249.16356	7.9
251.17934	7.3
253.15657	3.6
255.17503	7.5
256.17780	4.1
257.19022	4.3
261.16293	5.2
262.16827	3.2
263.17813	3.4
265.19577	4.6
269.18985	8.4
273.16199	4.3
281.19244	6.3
283.20370	3.7
287.20108	5.2
347.23575	3.6
491.34641	3.9
583.41394	11.1
601.42249	9.1
617.95239	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	601.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	23.9
57.07069	4.0
58.39452	5.1
67.05502	41.6
69.07061	40.1
71.58341	4.8
73.02914	4.1
73.18607	3.6
79.05480	17.3
81.07051	60.0
83.08611	18.8
85.02898	17.8
86.80151	4.1
91.05474	20.4
93.07035	34.9
95.01311	7.9
95.04932	5.1
95.08609	100.0
97.10142	5.2
105.07023	47.6
107.08582	72.6
109.10154	88.7
109.10842	8.4
111.11691	7.0
113.02359	6.2
117.07014	4.5
119.08574	63.6
121.10138	48.5
123.11691	29.2
131.03389	6.6
131.08557	11.8
133.10115	47.4
135.11696	55.7
137.13310	5.8
141.01814	15.8
143.08667	6.7
145.10089	25.0
147.11661	40.5
149.13240	20.1
159.11644	23.1
161.13251	40.0
163.14810	24.9
171.11739	4.8
173.13251	21.3
175.14850	23.8
177.16368	28.9
187.14822	19.6
189.16386	77.7
191.17938	55.8
201.16409	21.5
203.17950	30.5
205.19519	19.2
207.17415	6.1
215.16132	4.5
215.18028	17.4
215.22926	4.7
217.19492	34.3
218.58209	5.0
219.20918	5.3
227.17761	6.7
229.19511	17.7
231.21075	7.1
243.21115	8.8
245.22652	7.7
257.22681	13.2
269.22559	9.8
271.24084	17.2
283.24329	4.8
285.07587	9.2
292.64795	4.5
297.25766	18.9
407.36795	47.1
425.37619	8.8
499.98358	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	601.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.5
55.05508	8.7
57.07090	11.7
57.07340	2.7
61.54449	2.1
65.03923	3.5
67.05496	14.4
69.03430	9.0
69.07067	7.7
71.10044	4.7
75.40336	2.2
79.05487	19.4
81.07056	23.7
82.07400	3.2
83.04971	5.4
83.08619	2.8
85.06548	4.3
91.05476	30.5
92.05788	3.0
93.07043	44.2
95.04956	8.6
95.08610	29.7
97.06533	6.1
105.07030	52.1
106.07359	4.0
107.08591	28.4
109.06506	14.1
109.10162	9.5
115.05471	4.0
117.07026	15.7
119.08582	52.4
120.08938	2.7
121.06554	5.5
121.10135	28.3
123.08106	15.4
124.08397	2.4
125.05968	7.3
128.06236	5.0
129.06995	11.1
130.07831	5.9
130.92378	2.9
131.08582	25.3
133.06505	4.4
133.10133	25.2
135.08035	13.5
135.11728	4.4
137.09601	17.6
141.06929	4.7
142.07718	13.3
143.08569	22.5
144.09367	4.7
145.10112	34.5
147.08034	27.9
147.11650	5.9
149.09628	7.2
151.07564	12.5
155.08569	7.2
156.09311	7.6
157.10146	26.2
158.10762	3.0
159.08087	4.1
159.11673	21.6
161.09555	4.8
161.13271	6.9
163.11215	11.2
165.09108	54.6
166.09529	2.8
167.08586	3.7
169.10120	15.0
170.10933	6.1
171.11661	14.5
173.09630	3.6
173.13240	7.7
175.11209	5.9
175.14745	4.2
181.10124	4.6
181.12260	10.2
182.10892	4.3
183.11714	13.1
184.12102	2.7
185.13255	10.0
187.14825	5.8
189.12784	3.5
193.10205	3.7
193.12199	4.9
195.11708	7.2
195.55351	2.5
196.12460	4.1
197.13283	8.0
199.14853	2.9
201.12776	3.8
203.14340	21.0
204.14676	2.7
207.11862	4.4
207.13803	8.6
209.13248	7.7
209.15230	2.9
211.11185	2.7
211.14894	3.8
221.13371	6.8
221.15358	100.0
222.15752	7.8
223.14783	4.4
225.16560	4.6
226.38942	2.6
233.13153	3.3
234.16208	2.8
247.16997	8.8
251.17821	2.7
263.17679	3.1
286.19199	4.1
287.20001	7.9
293.19174	4.1
299.19910	4.7
300.20602	3.7
301.21716	3.1
312.20654	3.5
313.21259	2.9
352.23801	3.6
353.24374	3.3
367.26321	6.1
393.27325	3.0
441.29514	5.4
491.35025	9.7
505.11566	2.5
509.36469	6.6
521.35870	8.2
583.41205	10.4
601.42426	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	601.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.05527	2.7
61.62112	1.8
67.05505	7.4
69.03421	5.1
69.07066	2.7
69.40121	9.2
69.40553	9.0
69.98744	1.6
71.01295	2.6
79.01834	5.1
79.05495	6.7
81.03420	7.0
81.07056	13.3
85.02904	4.0
91.05493	7.4
93.07056	9.9
95.04984	3.0
95.08611	10.1
97.02904	5.6
105.07022	12.2
107.08570	12.9
109.02875	4.0
109.10152	5.5
119.08573	10.1
121.10131	6.4
125.02368	6.4
127.03896	3.5
129.06998	2.2
131.08591	5.6
133.10136	7.0
135.11699	5.9
137.02386	4.3
142.98738	1.8
143.03418	7.8
143.08539	5.0
145.10103	11.1
147.11682	5.8
149.13307	2.5
153.01828	100.0
157.10149	3.6
159.11676	6.9
160.98407	2.5
161.06013	3.9
161.13258	4.3
165.01852	5.4
167.03403	2.4
171.02919	6.7
171.11639	4.3
173.13293	2.7
175.14842	3.1
183.02921	13.1
185.13217	3.5
187.14787	2.5
189.05400	1.9
199.14816	5.9
201.16426	8.5
213.16412	3.4
227.18127	2.6
269.22574	13.1
286.48950	2.3
297.06000	3.9
316.65753	1.7
377.24664	2.3
421.23663	5.4
474.28720	1.8
513.15466	4.0
583.28979	3.4
601.30103	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.9
53.29475	0.8
55.01875	1.0
61.03803	0.9
65.03909	0.9
67.05483	3.0
68.99788	1.7
70.49538	3.7
79.05489	5.0
81.03406	1.6
81.07041	2.7
91.05482	6.6
93.07039	1.4
94.04200	0.9
95.04959	3.7
103.05447	1.3
105.07024	4.9
107.04958	8.9
109.06493	0.9
111.04426	1.0
111.08131	1.0
113.99368	0.8
115.05455	1.2
117.07047	0.9
119.04936	3.2
119.08541	1.3
121.06516	1.0
122.03652	2.7
123.04464	6.6
124.05238	1.3
125.05998	1.4
129.07007	1.2
129.47493	0.9
131.08629	1.6
133.02863	3.2
133.06488	7.0
135.04407	2.8
137.02350	2.5
137.05981	11.9
138.03091	2.4
139.03877	2.6
139.07533	1.3
140.38521	1.0
145.06497	1.0
146.35487	1.0
147.04411	56.4
149.05902	1.0
153.05472	15.2
154.06242	1.6
155.08609	1.2
161.05998	16.2
163.03862	2.8
165.05428	2.3
165.06795	1.5
167.07043	18.5
169.06381	0.8
173.06001	1.2
177.05479	2.6
178.06248	3.0
181.04944	6.9
181.08549	1.9
185.06001	1.7
187.15034	0.9
190.06213	1.6
195.08078	1.2
197.06030	2.2
199.07597	0.9
205.08635	1.9
211.07506	2.6
213.05458	2.1
213.09207	1.1
214.06374	1.0
222.06743	1.3
223.07515	2.6
225.05373	2.3
226.06387	1.0
227.07010	1.7
229.08507	1.2
237.05519	1.2
237.09076	1.8
238.09843	1.2
239.07065	4.4
241.04990	13.3
251.06923	1.7
253.05000	3.4
254.09010	1.0
257.08044	1.0
265.08655	2.0
267.06613	5.2
268.07355	1.7
269.04459	30.8
269.07666	1.6
270.05133	1.8
275.09122	1.5
281.08115	1.5
282.08917	1.3
283.06152	2.2
283.09744	1.2
284.06738	7.5
285.04205	1.3
285.07376	4.5
286.08524	1.1
287.05640	1.1
287.09048	1.0
293.07971	4.9
299.09137	100.0
300.09674	6.4
301.07034	3.9
307.05991	0.9
313.07266	1.0
313.10681	2.3
315.12268	5.7
337.10641	2.0
345.07382	1.5
357.07367	1.0
387.08679	1.1
401.09863	1.5
406.10147	1.1
419.10788	1.4
421.12753	3.9
431.19351	1.3
432.12039	0.9
435.13870	1.6
447.14456	7.8
467.17068	49.1
468.17633	1.6
491.16852	4.0
561.05170	1.0
573.17542	1.4
583.15808	4.5
601.16498	3.5
611.97705	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1188
Annotation	Quercetin 3-(2''-galloylrhamnoside)
Peak:m/z	Relative Intensity
53.03947	1.2
55.01874	1.6
57.03430	4.4
69.03434	2.6
69.93621	1.9
69.94012	4.5
70.06604	2.4
70.52018	1.2
71.04601	1.7
71.04996	35.3
79.01848	3.8
79.49075	1.2
81.03439	1.4
84.36867	1.2
85.02904	34.1
86.09677	1.7
89.77542	1.1
97.02888	3.8
107.01289	1.7
107.04984	1.9
121.02859	2.2
123.04417	5.4
125.02354	2.9
129.05489	6.5
135.04453	1.7
137.02332	3.7
137.05951	1.9
143.03450	7.6
147.04407	2.4
147.06544	1.4
151.03893	6.9
153.01833	100.0
153.02800	4.2
161.06009	1.4
163.03955	1.9
183.02963	2.4
229.05003	3.4
257.04526	3.8
275.05487	1.7
285.04138	2.6
287.05539	9.0
303.05017	75.3
303.08545	4.0
309.52774	1.4
315.04843	2.9
321.07678	1.8
345.06149	4.8
413.09003	1.3
455.06104	77.5
456.06519	1.9
497.07034	5.7
601.11115	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.4
59.49694	0.2
67.01852	1.0
68.99785	1.5
69.03416	1.2
81.03401	0.5
85.02895	0.5
91.05445	0.3
97.02879	0.8
111.00792	0.3
111.04440	0.7
115.05433	0.3
116.21599	0.3
121.02858	0.8
127.03901	0.3
131.04874	0.3
137.02296	0.6
139.03915	1.3
145.06473	0.6
149.02361	0.7
151.03891	0.4
153.01820	100.0
154.02174	1.1
155.04916	0.5
157.06458	0.8
161.06001	0.4
163.03912	0.9
165.07011	0.3
167.03380	1.1
169.06448	0.6
171.02940	0.4
171.04350	0.4
173.05980	1.4
177.05557	0.3
179.03360	1.5
181.01328	0.6
181.06496	0.6
183.02875	0.4
183.04422	0.8
183.08069	0.5
184.05125	0.4
185.05962	1.3
189.05411	0.8
191.03456	1.3
193.01320	0.6
193.06502	0.6
195.02855	1.6
195.08075	0.6
196.51476	0.3
197.05991	1.3
199.03903	0.5
200.04709	0.3
201.05426	2.6
202.06268	0.9
203.03468	0.4
203.06966	1.4
205.04950	0.5
209.04294	0.4
209.06061	0.7
209.07974	0.3
211.04021	0.4
211.07541	1.5
213.05434	3.2
215.03404	1.2
215.06856	0.4
217.04909	1.3
219.02878	0.3
221.05992	0.6
223.07550	0.6
225.05432	0.6
227.06984	1.4
229.04941	4.3
229.73692	0.3
230.05762	0.3
231.06516	3.1
233.59067	0.3
235.07623	0.3
237.05484	1.0
239.07074	1.5
241.04939	3.9
241.08626	0.5
243.06508	1.3
249.05502	0.4
251.07080	0.7
253.04935	0.7
254.05917	0.3
255.06590	1.4
257.04407	2.4
257.08075	0.7
259.05994	6.0
263.06879	0.7
265.05118	0.3
267.06537	1.2
269.08066	1.0
279.06744	0.4
281.08047	0.4
283.06021	0.8
285.07550	0.7
289.07080	0.7
291.06580	0.8
295.06027	0.3
297.07458	0.4
299.09106	0.4
301.07281	0.3
303.08862	1.4
307.06003	0.3
309.07590	1.1
319.06003	0.7
325.07388	0.4
327.08499	0.8
337.07068	0.9
345.09576	1.2
347.05429	0.5
357.40732	0.3
363.08618	0.5
365.06497	1.6
373.07147	0.7
381.05942	0.3
383.07404	0.5
387.08783	0.4
391.08054	0.7
393.06003	2.9
411.07101	12.4
412.07559	0.4
415.08197	0.6
419.07922	0.6
433.08884	0.8
437.08325	0.5
443.07559	1.5
449.10736	2.8
461.08817	1.4
477.84338	0.3
479.09784	3.8
480.97665	0.3
497.10562	1.0
533.88507	0.3
583.10553	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.0
57.07076	25.4
67.05495	0.9
69.07063	2.6
69.34023	9.0
71.08234	1.0
71.08630	21.9
71.48506	0.7
73.06560	3.7
83.08629	1.1
85.10180	14.5
87.04475	5.9
89.06031	100.0
95.08619	1.0
97.10166	2.0
99.11745	3.7
107.07063	4.6
111.11711	2.2
113.13290	1.8
117.09132	2.1
130.08664	2.0
131.07043	2.6
133.08601	67.5
134.08937	0.8
175.09656	1.0
177.11223	25.5
195.12247	0.9
210.80043	0.8
217.39040	0.8
221.13818	5.6
239.14896	2.0
257.24655	1.0
265.16586	1.1
283.17593	1.8
290.65637	0.8
301.27432	1.6
327.20099	2.4
340.29520	1.0
371.22839	2.7
415.25351	14.1
433.23300	0.8
452.14288	0.8
463.21899	0.9
483.45776	0.8
542.13196	0.9
583.44080	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07059	11.8
67.05485	13.3
71.01395	16.2
71.01751	26.5
71.22617	10.9
76.98073	11.5
79.05496	31.0
81.07056	24.2
89.06023	16.1
91.05484	38.0
93.07039	39.5
95.08594	23.5
105.07056	63.2
107.08590	31.2
109.06516	13.0
109.10195	14.7
119.08594	51.4
121.10114	18.9
123.08057	32.3
131.08598	32.3
133.10112	34.8
135.08089	22.4
143.08548	32.3
145.10129	43.5
147.08026	30.8
151.07555	15.7
152.74741	11.9
157.10126	40.7
159.11720	34.3
163.11218	20.2
165.09164	60.2
171.11649	22.0
175.11156	22.3
181.10258	13.9
181.12117	12.7
183.11661	20.9
185.13225	16.5
189.12747	15.4
193.12180	16.0
195.11794	22.1
197.13362	18.9
203.14368	25.8
208.14554	16.1
219.13997	18.0
221.13490	17.5
221.15324	100.0
234.16103	19.2
247.17014	34.9
287.20010	17.9
352.24048	38.5
365.24921	13.0
440.29266	43.1
520.35126	22.9
546.70667	13.5
600.41510	38.6
621.10022	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	600.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.3
55.01855	2.1
55.05509	6.0
56.05040	1.5
56.96569	1.5
57.03423	2.5
58.99575	1.9
67.05504	13.1
69.07066	5.0
70.06157	1.7
70.06474	7.1
71.04991	1.2
74.00648	2.2
76.02226	2.6
78.83501	1.2
79.05499	9.8
80.05013	2.5
81.03422	2.3
81.07053	24.0
82.06592	1.6
83.04980	1.9
83.06108	1.8
83.08614	4.3
84.04505	7.8
85.02905	1.5
85.06528	2.0
86.00629	1.8
91.05479	8.2
93.07053	10.6
94.68764	1.2
95.04974	5.3
95.08614	10.7
97.01115	1.9
97.06549	2.1
97.10137	1.6
99.01410	6.1
99.17392	1.3
100.02196	7.6
105.07028	7.8
107.04965	4.1
107.08594	6.3
109.06534	4.4
109.10157	4.8
112.02173	11.1
113.03008	1.6
114.03728	6.3
116.01677	2.7
117.07008	2.4
119.08598	6.7
120.08111	1.4
121.06489	2.6
121.10168	3.8
123.04446	5.4
123.08067	1.4
125.04247	2.0
126.03757	4.2
129.06677	1.2
130.05046	1.7
130.19695	1.5
131.08582	4.3
133.02847	1.4
133.10149	4.9
135.08058	1.5
135.11652	1.4
137.06000	2.2
138.03752	2.9
140.05275	10.3
145.10103	3.4
147.04387	2.4
147.11705	5.5
149.09673	2.2
149.13258	1.7
152.05321	3.3
153.05423	2.2
153.06561	1.7
154.06891	1.6
157.10121	1.9
159.11719	2.4
163.11136	2.4
163.86499	1.2
167.07106	3.2
168.05986	1.2
168.08430	16.6
173.13292	3.2
176.03635	1.5
179.04839	1.8
183.07867	1.3
185.03783	3.6
191.14357	2.1
202.03983	1.9
209.15462	2.8
212.11768	1.3
216.05617	2.2
231.04408	3.5
236.16559	1.4
242.05447	1.3
243.61635	1.2
247.08055	1.4
255.07985	3.2
264.14209	5.4
269.09619	2.5
270.10367	9.1
275.19983	8.3
281.14459	3.7
282.15237	31.6
299.09039	3.6
300.09747	2.5
311.09204	3.7
312.09427	5.8
313.07132	3.8
333.18607	3.4
350.21478	10.3
351.19843	3.0
368.22653	13.1
384.17099	18.7
385.17853	3.0
419.11392	1.5
429.09125	1.7
446.09818	1.7
453.24173	100.0
454.24466	2.5
525.26288	7.4
582.28241	1.8
600.16199	10.6
600.28394	2.7
601.15912	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	599.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77537	1.9
53.03947	1.6
55.01881	2.3
55.05507	4.9
57.07076	5.3
59.05001	2.6
67.05507	12.0
69.03429	7.7
69.07072	3.2
71.04993	1.9
71.59019	2.6
79.05487	7.9
81.07058	16.0
83.04980	4.5
83.81995	1.7
85.06562	2.6
91.05479	15.0
93.07050	22.9
93.47881	2.2
93.67548	1.7
95.04958	6.4
95.08594	12.3
97.06527	4.6
98.73969	1.9
105.07027	23.4
107.04971	2.3
107.08577	10.8
109.06512	7.0
109.10158	6.9
117.07011	5.8
119.08577	25.6
120.99789	1.9
121.06506	4.4
121.10144	11.5
123.08051	12.1
124.96503	1.8
125.05943	1.7
128.06261	3.4
128.41862	1.6
129.06998	5.0
131.08569	10.8
133.10152	11.1
135.08011	9.4
135.11713	5.1
137.09615	15.5
142.07782	4.6
143.08574	9.3
145.10109	16.4
147.08049	19.5
147.11710	3.4
148.08850	2.3
149.09673	3.6
150.71902	1.8
151.07565	10.3
155.08574	3.6
156.09311	3.2
157.10150	14.4
159.08054	2.2
159.11668	11.6
160.57233	2.0
161.09587	3.5
161.13275	5.0
163.11172	7.7
165.09108	41.7
167.08499	2.0
169.10130	9.0
170.10953	5.5
171.11720	10.6
173.09616	3.1
173.13234	2.8
175.11162	2.9
177.12714	1.8
181.10117	4.1
181.12216	6.5
182.10854	2.5
183.11713	12.2
185.13229	8.7
187.11191	4.6
187.14807	3.2
189.12814	3.0
191.10732	2.3
193.10184	3.9
195.11765	4.5
195.13826	2.4
197.13306	5.1
199.11165	2.9
201.12750	2.6
203.14333	15.7
207.11908	2.2
207.13791	5.6
209.13264	5.4
211.14819	5.5
213.12761	1.9
221.13394	4.3
221.15366	100.0
223.14851	2.6
233.15388	2.4
235.14828	2.7
247.16942	17.9
269.19131	1.9
285.18515	2.2
287.20065	7.0
299.20081	2.8
301.21371	2.7
325.21796	2.5
327.23245	2.8
365.24582	2.8
391.26285	8.8
419.29214	3.0
427.28442	7.4
507.34616	5.9
519.34564	2.7
592.54938	2.2
599.17322	2.1
599.41077	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	600.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72966	0.4
59.43034	0.4
69.03404	0.6
69.49662	1.1
69.50089	2.0
79.22260	0.4
81.03401	0.5
83.82373	0.3
85.02887	1.5
91.05459	1.3
97.02897	0.7
99.89612	0.3
102.97917	0.4
105.07057	0.5
107.04977	0.4
107.64384	0.3
115.05478	0.9
117.07040	0.6
121.06550	0.5
128.06238	1.5
129.07014	4.3
130.42728	0.4
131.08580	5.9
132.05745	0.4
133.06473	1.0
133.10051	0.4
141.06972	1.8
143.08551	1.1
144.05663	2.4
145.06482	1.1
146.07298	0.6
153.06943	0.9
156.05675	0.7
157.06502	2.3
159.08051	10.0
161.05928	0.8
161.09615	2.9
162.07570	0.4
162.97874	0.4
166.08913	0.4
169.07675	0.6
170.07265	1.6
171.08058	2.4
172.05165	0.7
173.05983	1.4
174.06673	0.6
175.07492	1.0
178.06285	0.4
187.07555	7.5
189.09117	3.6
190.06207	0.5
191.07019	0.4
193.08578	0.5
198.06715	0.8
199.07570	0.8
203.07016	1.0
204.07840	4.8
205.08575	0.7
206.09427	0.6
216.07828	1.4
217.08617	0.6
218.09412	0.6
219.10271	1.8
219.12009	0.4
221.11734	1.7
231.10162	2.5
234.08893	0.6
237.11198	1.1
249.11227	100.0
250.11617	1.4
267.12247	2.8
294.51202	0.4
295.95837	0.4
389.13733	0.4
411.16541	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.7
55.05502	4.2
57.07082	6.4
59.05005	2.6
61.84136	1.2
67.05499	11.1
69.03419	8.6
69.07061	4.0
69.93559	8.3
69.93934	2.3
71.04986	1.4
78.40469	1.3
79.05499	7.3
81.07055	13.7
83.04998	2.4
83.08607	1.8
85.06530	3.6
91.05482	17.2
93.07038	22.5
95.04961	7.4
95.08606	12.9
97.06537	4.1
98.21512	1.8
101.83112	1.6
103.60245	1.2
105.07025	25.4
107.08587	12.7
109.06526	5.7
109.10178	5.9
111.08067	2.7
117.07045	5.6
119.08579	29.0
121.06505	6.6
121.10145	15.8
121.52681	1.3
123.08067	13.8
125.05992	3.0
128.06178	2.5
129.06990	3.7
130.07796	2.6
131.08530	9.9
133.06493	3.9
133.10121	15.3
135.08026	14.1
135.11716	4.1
137.06018	1.9
137.09587	14.5
141.07088	1.9
142.07809	5.4
143.08530	9.9
144.09383	1.9
145.10112	16.4
147.08035	25.0
147.11731	3.8
149.09631	5.6
151.07527	11.9
155.08591	4.8
156.09392	5.7
157.10149	16.0
158.10960	2.0
159.08104	3.7
159.11665	9.2
159.51016	1.3
161.09567	7.2
161.13287	6.0
163.11111	7.2
165.09113	59.0
168.09329	2.5
169.10152	8.7
170.10860	2.0
171.11630	7.6
173.09639	2.9
173.13261	3.6
174.36711	1.5
175.11165	3.3
177.12930	1.3
181.10156	5.3
181.12215	7.6
182.10777	1.3
183.11670	11.9
185.13222	6.8
187.11211	4.2
189.12750	4.1
191.10681	4.3
193.10118	1.4
193.12180	1.7
194.10956	2.5
195.11731	3.9
196.12411	1.9
197.13213	4.2
199.11172	3.0
199.14824	2.4
201.12802	2.5
203.14317	19.6
205.12378	1.7
207.11823	2.2
207.13824	4.3
209.13399	3.2
209.15265	1.7
211.14862	5.3
213.12740	3.0
215.14352	1.9
221.15355	100.0
223.14804	1.5
229.15884	2.1
231.13852	2.7
232.84192	1.4
233.13097	1.9
233.15456	1.8
237.16527	1.6
240.15099	1.7
246.31000	1.4
247.16930	20.0
255.13963	1.6
265.16028	1.4
269.19077	1.5
271.16895	1.7
287.19989	9.7
293.19211	1.5
297.34790	1.4
299.20166	5.4
301.21637	2.2
311.20114	2.0
325.21579	2.1
327.23270	2.2
333.70609	1.4
365.24670	4.1
391.26303	8.6
413.77499	1.5
419.29388	3.9
427.28198	6.6
429.21149	1.7
453.30255	2.1
507.34799	5.1
519.34821	3.6
564.81775	1.5
581.39917	3.2
599.40942	44.8
599.50421	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	599.394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57817	3.4
55.05503	13.9
57.03433	4.2
65.03950	3.6
67.05509	31.5
69.07063	20.8
69.54643	31.0
70.06592	4.3
71.05021	3.4
73.02908	12.0
78.94590	3.6
79.05480	22.4
81.07056	55.6
83.08607	10.5
85.02906	26.9
89.03905	4.7
89.13824	4.0
91.05467	26.4
93.07045	54.7
95.01321	7.7
95.04964	6.2
95.08605	100.0
97.02879	4.9
98.21520	6.7
103.03940	4.2
105.07032	56.6
107.04942	7.0
107.07876	5.4
107.08588	80.1
109.09385	5.0
109.10145	83.0
110.95384	3.9
111.08096	8.4
113.02407	5.0
117.03367	6.0
117.07027	6.0
119.07713	4.0
119.08582	75.7
121.10140	64.9
123.11703	24.4
128.79437	4.3
131.03394	5.1
131.08601	17.7
133.10121	63.2
135.11691	52.2
137.05949	10.1
137.13228	11.5
139.11176	6.8
140.38264	4.2
141.01799	15.4
143.08539	10.6
145.02847	7.6
145.10104	34.4
147.04411	6.5
147.07971	5.1
147.11696	34.2
149.13260	29.0
151.03844	6.2
157.10085	12.9
159.11699	40.4
161.13248	40.6
163.14828	26.1
165.12793	6.3
167.07074	15.7
169.10173	4.1
171.11728	13.4
173.13232	22.2
175.14804	31.8
177.05452	12.3
177.16353	30.1
181.04991	6.5
183.11676	5.7
185.13275	8.8
187.14847	25.4
189.16365	38.0
191.17961	11.8
197.13327	4.3
199.14790	7.9
201.16335	32.0
203.17950	49.0
205.15887	7.0
207.17377	5.1
213.16347	12.5
215.17920	27.2
217.15793	4.1
217.19496	23.8
219.17462	15.5
221.19043	9.2
225.16530	6.8
227.17854	18.5
229.19472	27.6
231.21025	4.4
241.19553	11.0
243.21057	6.4
247.20563	14.3
253.19592	4.4
255.21107	7.6
257.22653	10.4
269.22653	12.5
275.23828	5.3
283.24133	8.4
295.24014	4.3
379.21445	5.5
381.31665	4.3
405.35181	26.1
421.34589	4.4
423.36221	32.7
441.37186	4.3
456.57587	4.7
581.38605	18.4
599.17603	5.6
599.29449	3.8
599.39032	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	599.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.5
55.05505	15.4
57.07077	6.4
59.04974	4.4
60.01596	3.5
65.54868	3.5
67.05499	34.1
69.03426	14.9
69.07068	12.4
71.58719	6.2
79.05482	20.5
81.03432	8.3
81.07058	36.5
83.04976	11.9
83.08607	7.4
85.06558	8.4
87.04527	3.3
91.05488	33.3
93.07038	39.6
95.04942	19.1
95.08604	25.1
97.06501	9.4
97.10132	4.0
100.44929	3.9
103.05480	5.5
105.07036	45.2
107.04924	3.5
107.08587	35.2
109.06525	16.3
109.10165	17.2
115.05461	4.6
116.06218	5.0
117.07009	11.7
118.30541	3.8
119.08583	55.4
121.06506	11.6
121.10123	37.9
123.08056	19.8
123.11717	7.4
125.06032	4.9
125.09657	9.2
128.06206	7.6
129.06998	13.3
130.07806	5.5
131.08545	24.4
133.06500	7.4
133.10123	27.1
135.08063	16.9
135.11719	10.5
137.09630	11.8
139.07613	4.0
141.06984	6.9
142.07776	10.7
143.08556	23.6
144.09349	9.3
145.06493	4.5
145.10098	26.9
147.08020	18.9
147.11682	13.0
149.09615	17.2
151.07489	18.7
155.08568	10.0
156.09357	10.3
157.10115	30.4
158.10846	7.1
159.08090	10.3
159.11649	25.6
161.09673	13.3
163.11166	11.5
165.06973	6.6
165.09111	25.4
167.08534	6.6
167.10666	26.6
168.09369	5.0
169.10110	16.0
170.10884	7.4
171.11685	22.4
173.09732	5.2
173.13245	15.2
175.11130	8.1
175.14789	6.7
179.08521	6.3
180.09372	5.0
181.10112	9.4
181.12245	8.1
182.10936	7.3
183.11691	17.9
185.09680	4.2
185.13289	13.6
187.11209	11.9
187.14825	6.0
189.12738	9.1
193.10210	7.2
194.10919	4.5
195.11716	12.6
195.13675	3.7
196.12425	5.5
197.13319	18.1
199.11310	4.5
199.14879	6.7
200.33415	3.9
201.12781	6.5
203.14352	15.1
205.10146	4.3
205.85970	4.3
207.11667	10.1
207.13844	11.9
209.13303	10.9
209.15259	5.6
211.14937	5.1
215.14465	6.5
217.09915	4.0
221.13400	8.1
221.15358	56.1
223.14925	7.2
225.16229	5.0
233.13283	9.4
233.15407	34.4
245.13336	4.3
247.14822	6.3
263.18002	5.9
271.17209	4.5
281.19006	8.5
299.20081	11.6
355.39767	3.5
365.24963	4.3
391.26617	4.9
450.42062	4.1
507.34842	60.1
581.39362	12.2
599.16998	6.2
599.41095	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	17.1
57.03440	5.7
57.07064	4.1
65.38095	1.8
67.05500	27.8
69.07069	30.6
69.54873	1.9
71.01342	9.6
73.02921	14.8
79.05487	21.9
81.07052	59.7
83.08610	13.9
85.02900	34.3
91.05482	22.4
92.25651	2.3
93.07045	47.4
95.01315	20.7
95.04986	5.5
95.08601	100.0
97.02850	3.5
97.10149	9.4
98.21515	4.9
99.00805	2.1
101.02386	6.2
103.03923	5.0
105.07032	60.6
106.94621	1.9
107.08590	76.2
108.89295	2.2
109.06535	2.4
109.10149	75.4
111.08063	3.9
111.11696	6.9
113.02353	7.9
115.05489	1.8
117.07004	8.0
119.08575	70.9
121.10136	59.8
123.11711	32.4
125.09586	2.3
129.07033	6.1
131.03374	9.7
131.08565	22.1
133.10126	59.3
133.11082	4.3
135.04425	4.3
135.11688	35.9
137.13248	10.9
139.11160	2.4
141.01825	40.2
142.07761	3.9
143.08574	13.0
144.09341	4.9
145.10121	41.9
147.11673	41.7
149.13252	22.5
151.14824	2.5
157.10121	19.0
158.10863	4.0
159.02928	3.2
159.11688	47.2
161.13245	36.8
163.14806	24.3
169.10143	5.9
171.11662	17.9
173.13261	32.4
175.14838	27.3
177.16391	26.3
179.17969	4.0
183.11705	7.3
185.13231	13.1
187.14827	27.8
189.16383	43.4
191.17941	18.2
195.11732	2.4
197.13286	7.7
199.14810	18.2
201.16365	54.6
203.14253	2.1
203.17947	44.4
205.15889	2.3
205.19485	5.3
207.17197	2.2
211.14806	7.1
213.16359	15.3
215.17943	23.3
217.19476	32.7
219.20979	2.8
220.11678	2.0
225.16339	5.1
227.17947	17.1
229.19482	19.7
229.73680	2.3
231.17639	2.2
231.21042	5.5
233.19119	3.2
239.17998	6.0
241.19379	11.0
243.21072	11.3
253.19612	3.6
255.21173	13.9
257.22574	10.4
267.21039	8.1
267.42865	2.2
269.22708	12.7
271.24237	5.9
272.57532	2.1
279.85953	2.4
281.22665	5.9
283.24261	3.7
295.24265	5.7
297.25885	3.1
302.62003	1.9
309.25626	2.1
311.27325	6.4
365.31958	8.4
403.33783	4.3
405.35132	44.1
423.36279	21.4
435.24155	2.5
581.38428	8.3
599.15210	3.7
599.39502	45.1
600.39868	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	15.4
57.07060	4.9
61.62851	3.3
67.05502	25.5
69.07056	17.3
70.55883	10.6
71.01363	3.6
71.04974	3.3
73.02908	11.4
76.72182	2.5
79.05492	17.0
81.07055	52.2
83.08610	15.0
85.02903	15.5
91.05476	22.6
93.07043	40.0
95.01334	5.3
95.04961	5.9
95.08597	100.0
97.06538	3.0
97.10191	3.7
101.02415	3.0
101.39676	2.8
102.50375	3.0
105.07031	39.0
107.08590	65.2
109.06522	3.3
109.10151	65.0
111.08076	4.8
111.88598	2.4
117.07010	8.2
119.08575	61.2
119.09379	5.6
121.10144	50.9
123.11713	23.5
128.06186	3.8
128.94229	3.1
131.08540	17.7
133.10135	54.1
135.11687	50.1
137.13232	12.5
139.11217	5.6
141.01836	8.3
143.08569	10.5
144.09351	4.2
145.10124	27.0
147.11676	35.6
149.13251	23.3
156.09346	2.9
157.10165	10.7
158.10922	3.2
159.11662	32.0
161.13231	34.3
163.14851	26.3
169.10100	3.8
171.11694	8.5
173.13271	24.4
175.14809	36.6
177.16393	17.6
183.11667	2.8
185.13268	7.2
187.14786	22.9
189.16365	36.7
191.17899	13.3
199.14839	7.4
201.16338	19.8
203.17923	37.9
205.19542	5.4
207.17387	3.1
213.16386	10.9
215.17960	27.2
217.19530	21.8
219.17467	11.0
221.19017	6.0
225.16443	4.1
227.17953	9.2
229.19501	33.6
231.21060	4.0
233.19022	9.3
241.19464	10.1
243.21094	7.5
245.19005	3.9
247.20566	17.4
253.19411	4.0
255.21086	8.1
257.22534	9.7
267.21008	3.8
269.22641	7.2
283.24173	4.1
284.86520	3.0
309.25690	3.7
351.17981	5.4
365.19547	3.2
365.32147	3.4
379.29962	3.6
403.33557	3.6
405.35135	20.0
423.36099	25.3
441.37085	8.2
467.79898	3.3
581.38312	18.0
599.39392	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.2
55.01857	2.0
69.34349	10.8
74.71463	1.2
77.03923	1.2
79.05472	1.1
81.03423	1.4
85.02887	2.2
95.04956	2.1
98.20708	2.4
100.23943	1.2
104.90955	1.1
107.04953	100.0
109.10170	2.2
117.91374	1.2
147.04437	1.5
149.05954	1.2
151.03934	1.8
153.48396	1.1
160.72672	1.2
163.03885	3.8
173.05946	2.1
175.03946	1.9
177.05490	1.4
181.04944	2.7
182.88588	1.1
189.05569	2.5
193.04942	2.9
193.15974	1.3
201.05569	2.0
205.04897	5.7
211.17012	1.4
213.05519	2.0
217.04976	4.6
219.06554	2.2
223.05983	1.9
229.04976	2.1
231.06569	2.1
235.06004	3.7
241.04861	1.8
243.06516	1.9
247.05959	5.8
249.11240	3.9
259.05978	6.7
271.06085	2.9
273.07632	2.4
289.07315	2.2
297.07574	1.1
299.09192	1.3
301.07074	3.9
311.09079	1.7
313.06989	2.9
319.07730	1.1
323.09088	1.2
325.07117	2.0
329.10266	3.6
341.10178	3.1
353.10159	6.6
365.10275	6.9
377.10184	1.7
383.11176	7.0
395.11185	7.8
407.11267	8.1
408.12003	1.3
413.12473	3.0
419.11517	3.6
425.12100	4.5
431.13440	9.6
443.13089	3.4
449.12259	7.1
461.12781	2.5
467.13400	2.5
479.13144	4.6
485.14313	1.7
491.13574	1.4
497.14377	5.9
509.14648	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	599.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	4.0
55.05510	16.4
57.03425	6.0
67.05499	33.2
69.03455	4.9
69.07058	27.6
69.44695	3.5
69.56367	8.8
69.56780	25.4
70.26900	4.1
70.39343	4.1
71.01359	10.0
73.02916	10.0
79.05486	22.4
81.07053	57.5
83.08619	16.2
85.02905	31.9
91.05469	19.9
93.07033	47.3
95.01343	18.8
95.04990	6.1
95.08600	100.0
95.09174	7.4
97.10173	6.9
105.07030	43.4
107.08591	73.8
109.06517	4.2
109.10155	74.1
109.69128	4.0
111.08081	5.4
113.02368	11.4
117.07022	11.2
119.08582	72.8
121.10151	46.0
123.11723	19.4
124.94021	4.6
129.06990	4.1
131.03424	5.3
131.08586	17.6
133.10123	52.9
135.11685	35.4
137.13248	13.9
141.01814	37.0
141.02554	3.3
143.08569	10.0
145.10114	31.0
147.11696	36.4
147.32027	4.2
149.13248	29.6
156.09412	7.4
157.10175	13.7
159.02948	9.3
159.11687	42.8
161.13258	31.9
163.14859	25.4
171.11685	15.0
173.13257	32.1
175.14815	33.7
175.40895	4.2
177.16321	21.9
183.11884	4.7
185.13275	10.7
187.14810	26.3
189.16385	36.1
191.17955	10.1
193.40503	4.4
197.13356	7.1
199.14847	16.0
201.16406	42.3
203.17957	36.4
205.19498	5.7
213.16399	16.9
215.17934	27.6
217.19507	32.1
227.17923	16.8
229.19495	25.2
231.21202	4.9
239.17924	5.4
241.19527	13.2
243.21135	14.7
247.20671	5.0
253.19595	6.8
255.21059	10.9
257.22681	17.2
267.21188	5.0
269.22635	12.2
281.22766	4.4
281.29266	4.2
283.24222	5.1
295.24112	6.6
300.06216	6.0
365.32019	8.0
405.35144	47.6
423.36368	24.4
581.37988	8.5
599.39862	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	599.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.3
57.03461	1.3
65.03940	2.0
66.97398	1.4
67.05502	6.0
68.99818	2.1
69.07082	2.1
69.70950	9.8
71.04984	1.6
79.05485	7.5
81.03410	3.8
81.07059	4.6
83.08603	1.9
83.90687	1.4
85.02950	1.4
91.05490	10.0
93.07030	3.6
93.22634	1.4
95.04980	4.1
95.08574	3.2
105.07017	4.0
107.04956	9.0
107.08570	2.8
109.06496	1.7
109.10152	4.0
117.07084	1.9
119.04925	2.9
119.08574	4.0
121.10154	3.3
123.04432	18.2
124.05199	2.9
125.05936	1.8
129.07036	1.6
133.02849	4.4
133.10170	2.7
135.04404	1.9
135.11728	1.4
137.06009	1.6
138.03069	2.1
139.03883	3.0
139.07553	5.0
145.10086	3.0
147.04405	98.0
148.04779	2.2
151.03922	1.6
152.04706	3.8
153.05466	9.3
153.06604	1.3
154.06277	2.1
156.09250	1.6
157.10109	2.5
159.11626	1.7
160.05220	5.7
163.03931	4.6
163.11209	1.3
165.05594	1.8
165.07045	2.0
167.07014	13.7
167.10751	1.8
169.06462	1.7
176.04753	1.5
181.06529	2.4
185.06050	2.2
192.24364	1.2
197.06021	1.5
199.07616	2.6
209.06015	2.4
210.06792	3.2
211.07532	4.0
221.06062	3.6
221.15155	1.9
223.07487	2.0
225.09082	2.2
227.07018	5.1
233.15352	1.7
237.05463	4.4
238.06262	4.8
239.07007	5.4
241.04964	2.3
241.08522	1.7
249.05469	3.0
251.06960	3.3
252.07774	2.6
253.04912	2.4
253.08624	7.1
255.06528	4.1
256.07318	2.2
263.07022	3.3
265.05026	1.6
266.05716	4.2
267.06448	5.8
269.04556	1.7
269.08124	1.6
270.08963	1.6
275.09204	2.5
279.06564	2.9
280.07236	4.2
281.08032	6.4
282.05188	1.4
282.08768	2.1
283.05917	8.2
284.06674	2.9
285.08014	2.7
285.10944	6.4
293.07941	1.9
296.06879	1.4
298.08282	8.3
299.09143	75.9
300.09494	2.5
313.07306	2.1
313.10730	31.2
369.07281	1.7
387.08371	2.1
390.10721	1.5
399.08563	1.6
403.07623	2.4
407.11719	1.5
415.07291	2.0
418.10147	3.0
419.11176	3.7
429.09357	2.1
430.09930	1.7
432.12027	1.6
433.12482	7.4
435.11093	2.3
437.16168	1.8
444.11667	3.7
445.12497	13.1
465.15454	100.0
466.16287	1.9
477.15494	1.9
489.15292	6.0
599.18781	15.5
599.41516	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80186	0.9
55.01874	1.5
55.05511	2.1
58.19301	1.0
59.67832	1.2
67.05511	6.2
68.99800	1.6
69.03431	1.5
69.07063	2.3
69.35908	9.4
70.18032	1.0
79.05477	6.8
81.03410	3.5
81.07054	3.9
83.04970	1.2
83.08630	1.0
91.05487	10.5
92.61264	1.1
93.07041	2.1
95.04974	4.0
95.08615	2.5
98.20751	1.4
99.04473	1.2
100.64724	1.0
105.07050	2.8
107.04956	10.1
107.08596	1.9
109.06511	1.2
109.10120	2.3
114.26269	1.3
117.07042	1.3
119.04946	3.2
119.08607	2.1
121.10147	2.6
123.04427	12.9
124.05237	3.5
125.09650	1.0
129.06993	1.7
131.08586	2.0
133.02834	5.7
133.06482	1.2
133.10091	1.4
135.04459	2.7
138.03120	1.6
139.03879	2.0
139.07533	7.1
143.08574	2.0
145.06345	1.0
145.10123	2.3
147.04413	96.1
151.03893	1.7
152.04652	3.2
153.05498	11.0
153.06828	1.8
154.06273	1.5
155.08578	1.7
157.10089	1.9
159.11694	1.3
160.05200	5.0
161.06094	1.6
163.03920	4.1
165.07095	1.3
165.09077	1.7
167.07059	16.1
176.04785	1.2
177.05495	1.7
181.05028	1.3
181.06476	2.7
182.07291	2.1
183.08026	1.4
195.08104	2.0
196.05234	1.1
197.06033	2.8
199.07556	1.8
209.06091	1.4
210.06741	2.1
211.07527	3.3
213.05432	1.8
213.09116	1.3
221.06004	4.5
221.15353	2.6
223.07628	2.1
224.04794	1.4
225.05385	1.8
225.09129	2.3
227.07079	3.6
235.07535	1.8
237.05464	4.3
238.06215	4.2
239.07016	4.0
241.04800	2.3
249.05594	2.7
250.06212	1.3
251.07072	4.0
252.07819	1.7
253.05070	1.4
253.08618	6.3
255.06570	4.5
255.10042	1.1
265.05026	2.3
266.05704	2.7
267.06418	5.8
268.07318	1.6
269.04254	1.2
269.08124	2.2
270.08920	2.4
271.06247	1.5
275.09332	1.5
279.06345	2.1
280.07254	4.2
281.08118	5.0
282.08926	2.1
283.05969	5.1
284.06818	3.5
285.07645	1.3
285.11258	3.7
296.07202	1.1
297.07639	2.7
298.08368	11.3
299.09143	72.0
300.09637	2.3
313.07257	2.2
313.10706	27.9
317.08005	1.2
375.08438	1.4
387.08765	2.0
399.08408	1.6
400.09360	1.4
401.10458	2.0
403.07916	2.5
404.09030	1.2
415.07956	2.3
418.10175	2.5
419.11221	4.6
419.34888	1.6
430.10181	2.5
432.11725	2.3
433.12592	5.5
435.10498	1.6
444.11710	4.0
445.12546	15.2
465.15472	100.0
466.15988	2.4
489.15509	5.3
568.16797	1.7
599.18787	18.0
599.40637	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	597.3033
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
52.38091	2.2
55.05515	17.0
57.03430	7.3
57.30851	2.0
61.16177	2.1
67.05505	30.5
69.03408	3.3
69.07075	18.5
71.32493	3.3
79.05504	11.4
81.03420	12.2
81.07056	33.6
83.08619	7.2
91.05468	7.8
93.07042	10.7
95.08603	29.1
97.06549	3.2
97.10159	5.8
98.97865	3.0
98.98460	38.6
104.16989	2.4
107.08590	6.2
109.02862	9.8
109.10145	8.5
119.08555	7.7
121.10183	3.7
133.10146	5.0
147.11644	4.0
149.13297	2.9
155.01027	4.0
175.14867	3.7
191.34906	2.5
210.93291	2.4
245.22740	3.0
261.03708	7.0
263.23645	4.2
301.20184	13.5
319.21106	4.7
335.07449	2.8
337.27365	100.0
453.06552	3.1
623.79974	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	598.4884
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07064	35.4
69.80670	10.4
71.08630	41.1
76.48737	13.6
85.10187	23.7
89.06045	100.0
93.02046	10.9
98.20760	40.7
116.57468	10.7
119.31348	10.7
126.35034	11.2
133.08597	74.6
158.50322	12.3
229.74713	15.8
306.75473	12.4
436.65500	12.4
477.20242	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	599.1546
Annotation	Santarubin C
Peak:m/z	Relative Intensity
53.12296	0.8
55.01865	1.2
55.05489	2.2
58.40257	0.8
67.05502	6.2
68.99799	1.1
69.03421	1.4
69.07045	0.9
71.04969	1.9
71.58841	0.7
71.59254	0.8
79.05491	3.7
81.03416	3.4
81.07052	4.7
83.04991	0.8
83.08627	1.1
91.05476	3.8
92.10178	0.8
93.07038	2.3
95.04987	2.4
95.08611	1.5
97.02921	1.3
97.06499	0.9
97.10152	1.3
105.07033	3.0
107.04973	4.1
107.08589	2.3
109.02900	0.9
109.10143	3.2
117.07008	1.0
119.08553	2.0
121.02871	0.7
121.10126	1.4
123.04424	2.2
124.05206	2.6
129.07054	1.4
131.08527	1.0
134.03575	1.2
134.50081	0.8
135.04442	0.9
137.02333	2.1
137.06026	0.8
139.07559	1.9
145.10103	1.1
147.04427	4.8
147.08009	1.0
151.03915	9.0
152.04649	1.8
153.05566	1.1
157.10109	1.3
165.09323	0.8
166.02614	0.8
167.07062	4.0
181.05009	4.3
181.06374	0.9
184.05162	1.2
185.06024	1.3
189.11267	0.9
196.05273	1.2
210.06721	1.9
211.07448	0.9
211.09636	1.2
213.05498	1.1
221.05962	1.4
221.15402	1.2
225.05539	0.8
225.27606	0.8
228.04089	1.0
229.04976	1.0
237.05614	1.4
238.06310	6.5
239.06976	1.9
241.04964	2.4
249.05510	1.4
252.03918	1.0
253.05032	3.1
255.02951	1.5
255.06543	2.0
257.04465	1.2
258.05219	2.7
266.05667	7.1
267.06558	2.6
269.04483	6.2
270.05252	2.8
271.06042	1.3
279.02979	1.9
281.04276	0.8
283.05972	6.3
284.06815	9.8
285.07504	2.2
286.04660	4.9
293.04623	1.3
295.06192	1.0
298.04730	2.5
299.05786	1.7
299.09152	25.2
301.07147	4.2
313.07083	8.9
345.07458	1.7
373.07269	1.8
374.07861	1.6
375.08975	1.6
377.06357	2.0
387.04739	1.1
388.05743	2.2
390.07336	1.2
391.07913	1.3
401.06430	1.6
402.07385	2.8
403.08221	2.2
404.08875	2.7
407.11267	2.3
415.07809	0.9
418.06998	2.5
419.07590	3.0
421.05295	1.9
423.14407	1.0
430.06732	3.8
431.07416	1.4
433.09171	4.1
434.09854	1.7
443.07693	1.2
445.03110	1.0
445.09097	13.5
449.12561	1.8
451.10208	3.1
465.11646	3.2
535.10101	0.9
567.12079	1.2
571.15784	1.6
599.15442	100.0
600.15833	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	597.1815
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
51.16785	11.3
62.25542	11.7
70.71162	18.4
84.84660	10.5
85.02869	24.2
93.03391	17.1
97.02872	16.9
107.04974	23.3
115.16457	11.2
121.02861	25.9
123.04412	21.9
135.04353	19.3
147.04381	19.6
154.24388	10.3
161.05943	12.9
173.05933	14.1
187.04115	14.9
189.01854	17.8
195.02904	33.0
207.02893	30.4
215.03366	14.2
217.05005	14.4
219.02896	75.7
221.04341	12.9
223.02167	16.2
225.03862	26.9
229.04959	25.1
231.02959	29.7
233.04527	19.6
237.03957	24.4
243.02835	25.0
249.03949	37.0
257.04355	22.6
261.03955	95.0
273.03940	41.8
281.04663	12.8
285.03949	56.0
285.07074	10.8
291.05017	26.1
297.07043	23.5
303.05063	100.0
315.05093	16.9
321.06229	24.9
327.04910	45.8
327.08405	34.2
339.07938	42.1
345.05801	15.8
351.08627	20.4
363.07248	41.7
367.51517	12.1
381.09531	48.4
393.09155	45.9
405.08658	38.5
411.10007	24.2
417.09830	18.1
423.09915	33.5
429.11414	48.1
441.10806	45.2
447.10471	22.7
459.12149	41.2
465.11057	16.8
495.12634	21.1
525.13586	27.0
543.13965	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	597.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.05498	12.1
57.03419	8.4
57.07079	3.5
62.18179	2.5
64.57160	2.5
65.75582	3.0
66.13305	2.9
67.05507	44.6
69.07071	17.0
70.06581	2.7
71.04978	3.6
71.59344	6.6
79.05496	14.8
81.03410	7.8
81.07057	41.7
83.08615	9.6
91.05469	9.8
91.37722	2.9
93.07047	17.2
95.08611	37.6
97.06485	4.1
97.10160	4.5
98.98467	45.2
105.07024	7.5
107.08596	12.8
109.02843	4.8
109.10171	13.9
119.08585	4.8
121.10104	8.4
123.11694	4.3
133.10104	5.7
135.11690	6.0
145.10085	3.2
147.11653	3.3
149.02299	3.5
149.13260	4.3
155.01044	25.4
161.13210	3.9
162.03111	6.0
173.02058	3.9
206.05696	3.1
245.22691	6.0
261.03796	4.2
263.23755	12.7
301.20145	4.3
308.04480	4.3
317.06226	4.6
317.19611	5.2
319.21280	16.1
337.22357	9.9
337.27353	100.0
349.61966	3.1
394.93668	3.5
444.22647	3.1
499.37173	4.9
596.60675	7.6
597.10498	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	597.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72475	0.6
67.05495	1.2
68.99790	1.2
69.07102	0.6
69.85315	2.4
69.85728	1.1
79.05492	1.4
81.03410	1.3
81.07062	2.1
83.08643	1.0
91.05494	2.4
93.07049	0.8
95.04966	1.6
97.02934	0.7
98.20798	0.9
105.07046	0.7
107.04970	1.4
107.08581	0.7
115.05476	0.7
119.04948	1.4
119.08546	0.7
123.04448	0.8
129.06963	0.6
133.02864	1.3
133.10228	0.6
137.05972	0.9
139.03920	0.9
147.04434	2.1
151.03978	0.9
162.03137	0.6
163.03990	1.1
167.07079	2.2
177.05515	1.5
181.06543	0.7
197.05991	1.1
213.05537	1.4
225.05522	1.1
237.05467	1.2
239.07106	0.8
250.06241	0.8
253.05031	1.4
255.06584	0.8
265.05167	1.7
266.05890	1.8
267.06622	1.3
271.05899	0.8
279.06677	1.0
281.04599	0.9
283.05991	1.1
284.06876	1.3
286.08691	0.7
296.07080	0.9
299.09192	4.2
301.08652	0.9
311.09256	2.9
312.10056	1.3
313.07138	1.5
329.08325	1.8
341.08258	0.8
353.08267	0.9
357.07556	1.1
369.07791	1.0
370.08368	0.8
381.07660	0.8
382.08578	1.4
383.09122	1.0
385.07047	1.4
387.09128	0.8
387.14362	0.7
393.07434	0.9
399.08792	1.5
403.08041	0.8
410.08151	1.7
411.08713	1.9
413.06735	2.1
415.08090	1.2
416.08923	1.1
427.08127	3.1
428.09030	3.7
429.10071	0.8
431.11533	1.9
442.10541	0.9
443.11356	8.7
457.13376	0.9
459.10687	0.7
460.11536	0.9
521.12628	0.7
523.11353	0.7
539.13324	1.3
549.11823	0.9
552.10486	1.4
565.15204	1.3
567.12775	3.6
581.14374	2.1
582.15198	2.6
597.17639	100.0
598.17816	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82351	0.4
59.29169	0.4
67.05502	0.7
70.12482	1.9
79.05499	0.8
91.05499	0.7
107.04950	1.0
107.08615	0.4
109.10126	0.5
118.10293	0.4
119.04967	0.4
122.03662	0.7
123.04485	0.7
124.05204	0.5
133.02881	0.7
135.04401	0.5
137.05949	2.2
138.07843	0.4
139.07549	0.4
147.04405	0.9
151.03955	0.5
152.04675	0.4
153.01927	0.4
163.03935	0.7
167.07053	4.1
176.04723	0.7
177.05476	1.1
210.06882	0.6
234.06892	0.4
235.07404	0.6
237.05556	1.5
238.06226	0.6
241.04919	0.8
250.06381	0.4
251.07135	0.5
253.04912	0.7
255.06599	0.5
265.05096	0.6
266.05798	0.8
267.06659	0.7
269.04504	1.8
271.05972	0.5
279.06683	0.7
283.06076	0.8
283.09772	0.5
284.06876	1.0
286.08386	0.7
287.07037	0.6
291.06497	0.7
299.09296	1.8
300.07834	0.6
301.08740	0.6
303.06732	0.8
312.10248	0.5
313.08560	0.8
315.06454	1.0
316.07504	0.5
321.07977	0.5
327.10147	0.5
329.08078	2.5
331.09558	0.5
335.75656	0.4
337.08536	0.5
339.06363	0.5
340.07190	0.7
341.08200	1.0
343.09775	0.7
344.06604	0.5
353.08322	1.0
354.08865	0.7
356.06729	0.6
357.07516	0.9
358.08472	0.6
359.09268	1.0
369.07507	1.1
370.08356	0.6
371.09094	1.2
373.10950	0.5
374.07602	0.5
381.07608	1.2
382.08463	2.6
383.09152	1.2
385.06976	2.5
387.08502	2.1
398.07666	0.7
399.08676	1.8
400.09534	1.0
402.11154	0.6
409.06918	0.8
410.07870	3.3
411.08737	1.3
413.06604	2.2
415.08383	1.2
416.08926	1.2
417.09586	0.5
419.10986	1.0
427.08218	5.5
428.08890	6.1
429.09589	0.8
431.11493	2.1
436.21811	0.5
441.09601	0.6
442.10596	0.5
443.11310	9.4
444.11859	0.8
457.09549	0.6
473.12305	1.1
483.14023	0.6
506.09372	0.5
509.07941	0.5
511.13910	0.5
521.12537	0.8
523.10461	0.7
535.10535	1.7
539.13293	2.4
549.11633	1.1
551.13684	0.7
552.10834	0.7
565.14917	0.7
567.12787	7.7
569.17731	0.6
581.14569	1.2
582.15399	2.4
597.17529	100.0
598.17841	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61109	0.4
55.05497	0.5
61.01321	0.4
67.05494	1.1
69.03446	0.4
70.76598	1.4
70.76977	0.4
79.05463	1.0
81.03398	0.6
81.07067	0.7
91.05489	0.9
93.07070	0.6
105.07050	0.5
107.04942	1.1
124.90576	0.4
133.02885	1.2
135.04422	0.5
137.05992	0.8
147.04411	1.0
153.05409	0.6
162.03104	0.4
163.03915	1.5
167.07040	1.4
175.03789	0.4
177.05493	1.6
181.06465	0.7
197.05981	0.6
213.05414	0.8
237.05496	1.0
238.06340	0.8
250.06276	0.6
253.04974	0.9
262.17667	0.4
265.05054	0.7
266.05911	0.8
267.06558	0.5
269.04416	0.9
283.06046	1.1
285.10028	0.8
299.09219	1.9
329.08185	1.5
341.08002	0.7
342.09006	0.5
345.07730	0.6
353.08246	0.7
357.07504	1.0
359.09357	0.7
369.07715	0.5
374.08398	0.6
375.08759	0.4
382.08585	1.5
385.07047	0.9
387.08569	0.6
389.06616	0.6
390.07559	0.6
398.07736	0.7
399.08664	1.4
400.09531	0.6
405.10001	0.8
410.07706	1.3
411.08725	0.9
413.06464	0.6
415.08313	0.7
416.08868	0.6
419.10873	0.5
425.10242	0.7
427.07928	3.1
428.08768	2.4
431.11395	1.1
437.10199	0.5
443.11249	9.2
444.11234	0.6
449.10168	0.7
453.09528	0.8
461.09998	0.5
467.11172	0.6
477.09613	0.7
478.10669	0.7
496.11951	0.7
497.12192	0.6
507.10812	1.3
509.08328	0.6
511.13864	1.4
521.12335	0.7
523.10223	0.6
524.11566	0.6
531.11218	0.7
533.08472	0.6
534.09320	0.9
535.10425	1.7
539.13080	4.0
547.13928	1.1
548.10925	0.7
549.11975	2.1
550.13025	0.9
551.10846	0.8
552.10663	1.8
563.13293	0.7
564.14038	1.2
565.15088	2.8
566.12567	0.7
567.12885	7.8
581.14447	3.5
582.15314	3.6
597.17517	100.0
598.17468	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.4
60.19859	0.9
67.05493	4.5
70.99341	2.2
73.82117	1.1
76.79905	1.1
79.05482	3.5
81.07054	3.1
91.05520	2.6
93.07041	2.0
95.04955	1.1
95.08618	1.8
96.61803	1.0
105.07008	1.2
107.04969	3.2
107.08603	1.5
109.10155	2.6
121.06432	1.5
124.05231	1.3
125.09589	1.3
127.03972	1.4
131.08563	1.2
133.10149	1.3
139.07539	2.1
147.04405	2.1
163.03983	1.9
163.07530	1.6
167.07079	3.6
177.05557	1.2
210.06755	1.9
221.06104	1.4
229.14357	2.2
237.05435	2.7
238.06273	4.2
249.05576	1.5
250.06319	1.6
253.05014	1.7
266.05832	3.8
267.06601	1.3
269.04288	1.7
278.05875	1.5
279.06491	1.7
281.04343	1.7
283.06039	1.3
284.06824	2.7
296.06830	1.1
299.09143	8.1
311.09143	5.5
316.46176	1.3
327.06454	1.4
329.08347	3.3
343.09720	1.3
349.22852	1.1
353.08060	1.5
357.07687	2.0
369.07593	1.4
371.09241	1.5
371.37311	1.2
372.10101	1.2
373.07056	1.3
382.08420	2.7
383.09616	1.6
385.06955	1.9
399.08615	2.5
400.09512	1.8
409.07175	1.4
410.07916	3.4
411.08633	2.4
415.08127	1.5
427.08270	4.3
428.08878	6.0
429.09921	1.3
431.11270	3.4
443.11273	25.4
443.17068	1.6
487.13306	2.0
539.13025	1.6
551.12982	1.5
567.12952	3.4
582.15430	2.1
597.17578	100.0
598.17657	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37808	0.4
67.05535	0.5
70.75964	1.5
70.76311	0.5
79.05490	0.5
91.05497	0.5
104.14564	0.4
107.04954	1.8
119.05023	0.5
123.04442	0.6
124.05200	1.1
133.02890	1.0
134.24579	0.4
137.02316	0.7
137.05981	0.6
139.07558	1.0
147.04431	1.5
151.03969	0.4
152.04698	0.6
153.05325	0.5
160.05086	0.5
162.03166	0.5
163.03928	1.2
167.07079	2.6
177.05470	0.9
181.06454	0.6
197.05983	0.7
198.51532	0.4
209.06015	0.5
210.06728	0.6
221.06020	0.7
225.05495	0.7
227.06940	0.5
237.05573	1.2
238.06316	0.7
239.06990	0.5
241.05115	0.6
243.06613	0.5
250.06384	0.7
251.06895	0.5
253.04997	1.2
255.06393	0.8
259.66641	0.5
263.06976	0.5
265.04980	0.8
266.05774	1.5
267.06628	1.1
269.04602	1.2
271.05887	1.0
279.06558	0.9
283.06134	1.4
284.06738	0.9
290.05786	0.7
291.06534	0.9
297.07486	0.6
299.09222	2.0
303.06793	0.7
312.10077	0.5
313.08096	0.8
315.06613	0.6
323.09354	0.6
325.08591	1.0
326.09253	0.7
329.08066	4.1
331.09827	0.6
341.08060	1.2
343.09753	0.5
344.06747	0.6
345.07629	0.9
353.08142	1.9
354.09009	1.8
355.09662	1.1
357.07639	2.4
359.09299	1.0
369.07620	1.6
370.08337	0.9
371.09381	1.4
381.07584	2.2
382.08441	3.3
383.09250	1.7
385.07181	3.5
386.07684	1.0
387.08789	2.2
398.07651	0.6
399.08655	1.9
400.09393	1.0
402.11047	1.0
409.07269	1.6
410.07846	5.1
411.08563	3.0
413.06216	2.4
415.07806	1.2
416.08939	1.4
417.09631	0.7
419.11401	1.5
427.08078	11.8
428.08905	8.9
429.09656	1.3
431.11444	2.1
443.11276	30.3
444.11752	1.3
453.09741	0.9
457.09180	0.8
472.11722	0.5
473.12009	0.8
487.14133	0.9
495.10748	0.7
507.10748	0.7
535.10840	0.5
539.13428	1.6
549.12042	1.3
551.12799	0.8
552.62677	0.6
564.13696	0.8
565.14563	0.8
567.12903	4.2
581.14569	1.4
582.15375	1.6
597.17529	100.0
598.17542	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1447
Annotation	Quercetin 3-alpha-L-arabinopyranosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
53.90453	0.6
55.01860	1.2
57.03439	3.4
61.02916	2.2
69.03075	0.6
69.03419	3.8
71.57824	0.9
73.02905	5.5
81.03407	1.9
85.02895	6.2
91.20283	0.8
95.04926	0.8
97.02879	6.5
105.03358	0.8
109.02892	1.0
111.00797	1.6
115.03912	1.9
121.02863	2.0
123.04423	41.2
127.03914	1.8
137.02344	4.2
137.05933	1.1
139.03853	1.7
145.04951	1.3
145.06554	0.7
147.04391	1.8
151.03908	1.2
153.01863	4.2
159.04312	0.8
161.05983	0.8
163.03914	2.5
165.01855	2.0
165.05472	4.7
173.05978	0.8
175.03868	1.4
177.05501	1.4
181.04904	1.4
183.02917	1.5
185.06000	1.3
187.03923	1.2
189.05534	0.9
193.05009	1.0
195.02850	0.7
201.05443	3.8
205.05009	3.3
217.04982	2.5
219.02956	1.2
219.06444	1.0
229.04892	5.8
235.06033	1.0
247.06010	3.0
255.76265	0.7
257.04550	3.4
259.06000	3.1
271.06055	2.6
273.07660	0.7
274.04611	1.0
283.05823	1.3
285.03897	1.8
289.07047	0.9
297.07675	1.2
301.06989	2.6
303.04977	100.0
304.05383	1.0
311.10376	0.7
313.07135	1.0
315.04987	1.2
325.07019	1.0
339.09940	0.8
345.05978	1.3
345.09711	0.9
357.09677	0.9
367.08331	1.0
369.09641	1.8
381.09521	1.9
393.09839	0.8
399.10559	1.1
411.10901	3.3
423.10757	2.8
429.11377	1.0
435.10550	2.8
447.12772	4.8
465.11542	3.6
477.11786	1.1
483.12720	1.9
493.75726	0.8
495.12704	1.6
507.12997	0.9
513.13763	3.2
543.14984	0.9
547.15942	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90453	0.6
55.01860	1.2
57.03439	3.4
61.02916	2.2
69.03075	0.6
69.03419	3.8
71.57824	0.9
73.02905	5.5
81.03407	1.9
85.02895	6.2
91.20283	0.8
95.04926	0.8
97.02879	6.5
105.03358	0.8
109.02892	1.0
111.00797	1.6
115.03912	1.9
121.02863	2.0
123.04423	41.2
127.03914	1.8
137.02344	4.2
137.05933	1.1
139.03853	1.7
145.04951	1.3
145.06554	0.7
147.04391	1.8
151.03908	1.2
153.01863	4.2
159.04312	0.8
161.05983	0.8
163.03914	2.5
165.01855	2.0
165.05472	4.7
173.05978	0.8
175.03868	1.4
177.05501	1.4
181.04904	1.4
183.02917	1.5
185.06000	1.3
187.03923	1.2
189.05534	0.9
193.05009	1.0
195.02850	0.7
201.05443	3.8
205.05009	3.3
217.04982	2.5
219.02956	1.2
219.06444	1.0
229.04892	5.8
235.06033	1.0
247.06010	3.0
255.76265	0.7
257.04550	3.4
259.06000	3.1
271.06055	2.6
273.07660	0.7
274.04611	1.0
283.05823	1.3
285.03897	1.8
289.07047	0.9
297.07675	1.2
301.06989	2.6
303.04977	100.0
304.05383	1.0
311.10376	0.7
313.07135	1.0
315.04987	1.2
325.07019	1.0
339.09940	0.8
345.05978	1.3
345.09711	0.9
357.09677	0.9
367.08331	1.0
369.09641	1.8
381.09521	1.9
393.09839	0.8
399.10559	1.1
411.10901	3.3
423.10757	2.8
429.11377	1.0
435.10550	2.8
447.12772	4.8
465.11542	3.6
477.11786	1.1
483.12720	1.9
493.75726	0.8
495.12704	1.6
507.12997	0.9
513.13763	3.2
543.14984	0.9
547.15942	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13546	0.3
53.03939	1.5
55.01865	1.0
55.05503	0.5
55.92706	0.3
57.03437	1.4
57.07071	1.2
58.65059	0.3
61.02917	1.2
65.03934	0.5
67.05502	3.4
68.99783	0.8
69.03423	7.0
69.07074	2.1
69.46673	2.8
71.01353	0.7
71.04996	0.8
73.02914	1.5
78.87392	0.3
79.05495	7.2
81.03418	4.7
81.07055	100.0
83.01345	0.4
85.02903	39.7
87.00829	7.0
91.03941	0.4
95.01342	1.1
95.04987	0.7
95.08606	14.5
97.02892	7.6
98.21453	0.5
99.00804	0.4
99.04462	2.5
101.02376	0.5
103.03955	1.3
105.01868	12.7
109.02885	5.9
109.10157	0.8
111.04454	0.5
113.02359	0.6
117.01855	0.3
123.04440	0.4
127.03918	15.1
129.01852	1.0
137.13252	20.3
141.01830	5.2
145.04953	5.6
147.02933	1.3
151.03917	0.9
154.15923	0.4
159.02914	2.7
169.04965	0.6
171.03000	0.5
177.04163	0.4
183.02971	0.3
189.03926	2.5
193.05101	0.4
199.05933	0.4
213.04018	1.1
223.06041	0.4
231.04971	5.4
249.06105	2.8
261.06195	1.0
273.06052	1.8
283.06088	0.6
285.06174	0.9
287.45221	0.4
303.07208	0.6
380.84836	0.3
387.61353	0.3
389.07312	0.7
407.08289	0.5
467.41360	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.255
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	2.1
66.87331	1.6
67.05512	5.5
69.03419	8.5
69.07072	3.0
71.58627	2.9
72.20945	1.9
73.02889	1.8
79.05484	6.8
81.03405	4.9
81.07058	100.0
85.02905	45.8
87.00845	7.9
92.60963	1.9
95.08595	13.9
97.02889	16.5
99.04458	3.6
100.30920	1.7
103.03952	2.1
105.01868	16.1
109.02866	7.0
119.04958	3.6
120.66566	1.4
121.02877	2.2
123.04388	1.9
127.03917	20.7
137.13272	24.6
138.12367	1.8
141.01836	5.3
145.04999	9.0
145.06090	1.8
147.03311	1.8
147.04427	14.1
148.04770	4.9
151.03922	2.3
153.01857	3.1
159.02917	5.1
163.03891	2.4
167.06990	4.4
180.86679	2.1
189.03877	2.5
213.03992	2.3
231.05013	7.8
249.06168	3.9
273.06207	2.5
287.05640	7.9
288.05533	8.5
321.11118	2.0
339.12338	4.1
352.13034	3.4
358.44553	1.9
378.14236	2.7
431.94193	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
55.01888	1.9
55.05507	10.6
57.03422	8.4
67.05505	38.8
67.20630	2.1
69.07066	8.4
71.87176	1.8
79.05495	19.6
81.03403	17.1
81.07054	37.5
83.04982	2.9
83.08598	2.4
85.02906	4.2
91.05464	12.4
93.07031	19.4
95.04951	4.6
95.08593	29.2
97.10177	2.4
98.21545	4.8
98.98460	34.1
99.04462	2.1
100.58492	2.1
105.07038	10.0
107.08597	13.5
109.02840	9.5
109.10153	13.2
116.99509	2.1
117.06983	2.2
119.08581	7.0
121.10145	8.1
123.11736	3.4
127.03928	3.4
131.08569	4.7
133.10127	6.5
135.11691	7.8
139.03831	2.1
145.10144	5.9
147.11694	3.5
149.13248	4.8
155.01042	3.8
159.11678	3.0
161.13361	2.7
173.02042	2.8
261.03711	12.8
261.21973	3.7
317.24661	3.4
335.07602	2.6
335.25797	100.0
412.33618	2.4
417.04999	2.0
443.56467	2.0
595.16052	3.3
608.14526	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1654
Annotation	kaempferol-3-O-rutinoside
Peak:m/z	Relative Intensity
53.66594	1.4
56.17639	1.5
57.03419	1.6
71.04987	10.2
71.50214	3.0
85.02905	14.3
97.02872	2.5
112.05469	1.2
121.02846	3.2
122.42952	1.6
127.03932	1.5
129.05486	3.1
139.03853	1.7
153.01834	3.2
162.76303	1.3
206.52132	1.4
287.05487	100.0
288.05591	2.6
425.08008	1.3
595.21387	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1655
Annotation	Datiscin
Peak:m/z	Relative Intensity
56.98104	0.7
57.03433	1.8
57.13649	0.7
61.02915	1.5
64.92213	0.8
66.83461	0.8
68.99788	0.9
71.04991	11.5
81.03413	1.1
83.04950	0.9
85.02911	14.1
91.03925	1.0
97.02887	0.9
109.02908	1.0
111.00786	0.8
121.02875	2.6
127.03889	1.0
129.05486	1.9
133.02814	0.7
145.04819	0.8
147.06479	0.9
153.01794	3.7
165.01874	1.6
167.06969	1.3
174.69084	0.8
183.02876	0.8
185.91797	0.8
189.84668	0.9
213.05464	1.8
233.04465	1.6
241.04951	1.7
258.05170	0.9
261.04044	3.9
266.74527	0.8
287.05493	100.0
288.05792	1.5
295.31152	0.7
301.06918	1.1
329.06555	1.5
398.23306	0.9
595.21301	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1655
Annotation	Datiscin
Peak:m/z	Relative Intensity
55.01854	0.3
55.05511	0.2
55.29482	0.2
57.03431	1.9
61.02920	0.6
68.99790	0.5
69.03424	1.2
70.22364	1.2
71.04990	10.8
75.04428	0.4
81.03432	0.4
83.04957	0.7
85.02901	14.9
91.03997	0.3
97.02866	1.5
98.21617	0.3
107.04955	0.3
109.02882	0.5
111.00797	0.8
111.01511	0.3
111.04420	0.6
121.02856	2.3
127.03910	0.9
129.05453	2.8
133.02855	0.5
137.02324	0.8
145.04955	0.8
147.04425	0.6
147.06528	0.9
151.03831	0.2
153.01811	2.8
157.06512	0.4
163.56131	0.2
165.01837	1.6
171.04401	0.4
180.82071	0.2
183.02811	0.8
185.05922	0.5
189.05432	0.3
203.07199	0.2
213.05402	1.2
231.06540	0.5
241.04987	0.7
258.05298	0.8
259.06012	0.7
287.05481	100.0
288.05844	1.5
299.05487	0.5
329.06580	0.7
449.10794	0.6
495.67841	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	6.0
60.58656	3.1
61.02912	3.6
65.03957	2.8
69.79398	13.4
70.73653	2.9
71.04977	3.2
77.55325	3.7
81.03383	3.2
81.07056	4.2
85.02909	15.4
88.10050	2.6
91.05444	2.9
93.07022	3.4
97.02885	4.7
98.21481	5.8
109.02885	4.7
119.04945	12.3
121.02866	38.9
123.04413	3.5
127.03931	6.8
135.04364	3.1
138.50842	2.7
138.87964	3.0
139.03931	9.0
145.02838	6.7
147.04350	5.0
151.03955	2.9
153.01877	3.3
163.03937	4.8
175.03882	3.0
179.03378	5.5
181.04958	5.1
191.03374	7.1
195.02921	8.4
203.03381	10.2
205.04901	4.6
207.02921	8.5
208.03796	2.8
213.05496	5.5
215.03546	3.1
217.05077	7.6
219.02859	2.8
221.04478	5.1
229.04944	5.7
257.04489	5.1
258.62140	3.1
261.03967	3.1
271.06030	5.3
279.06546	5.7
283.05984	27.9
284.06781	18.0
287.05484	30.2
293.07855	3.7
294.05255	21.0
295.06018	76.4
295.09167	3.5
296.06705	7.7
297.07620	12.2
303.05011	8.9
307.06003	43.0
308.06787	15.5
309.07510	17.9
313.07053	36.3
319.05960	6.8
320.06903	4.3
321.07547	21.5
322.08356	12.6
323.05716	3.9
323.09116	10.4
325.07065	100.0
333.07932	13.8
335.09137	11.1
336.06000	3.8
337.07043	57.1
345.07419	3.7
347.08899	8.7
349.07083	32.7
351.08551	25.3
355.08081	19.9
357.07333	3.7
361.06995	16.5
365.10361	8.8
367.08282	6.3
373.07098	6.3
374.08560	3.2
375.08649	7.5
379.08136	53.8
391.07990	25.5
397.09030	8.5
401.10022	4.4
403.08154	19.5
409.09195	42.7
415.10126	13.7
421.09299	29.5
427.10297	43.4
433.11407	48.5
439.10208	35.0
445.10266	4.8
457.11392	69.8
463.10165	8.7
475.12103	11.1
481.11234	27.5
493.10782	4.2
499.12277	10.8
505.11392	9.3
511.12390	18.9
523.12305	22.0
529.13196	4.8
541.06305	3.6
541.13513	27.3
559.14709	14.3
577.15442	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	595.1654
Annotation	6,8-Di-C-galactopyranosylapigenin
Peak:m/z	Relative Intensity
66.92950	3.1
69.48552	5.9
69.48959	19.1
81.03444	3.2
85.02924	3.7
88.62653	2.7
98.21482	5.2
119.04902	4.1
121.02871	32.0
121.06383	2.9
123.42851	2.5
132.80734	2.9
139.03918	3.4
144.75122	3.1
145.02809	4.0
151.58981	2.7
161.48474	2.7
175.03972	2.9
177.01962	3.3
177.05524	3.2
189.01793	6.6
191.03264	4.5
195.02933	7.4
203.03374	7.5
203.96669	2.7
207.02859	6.9
215.03377	3.7
217.04854	6.6
219.02731	5.5
229.04945	4.8
255.02701	3.6
257.04434	3.5
279.06601	3.1
281.08127	6.4
283.06015	10.9
293.08084	4.9
294.05283	18.2
295.02869	5.9
295.06006	78.8
296.06577	3.5
297.07614	8.4
307.06033	45.1
308.06598	17.2
309.07648	15.2
313.07120	4.3
319.06039	3.3
320.06641	6.7
321.07602	25.8
322.08444	12.0
323.09113	4.7
325.07053	100.0
333.07602	7.8
335.09042	17.0
337.07028	56.9
347.09143	6.8
349.06995	38.6
351.08771	27.0
355.07996	16.5
361.07037	19.5
363.08554	8.9
365.10172	13.0
373.07022	7.3
375.08624	13.0
379.08102	52.6
387.08673	3.9
391.08044	29.3
393.09042	3.0
401.10284	3.7
403.08084	18.6
409.09085	43.6
417.10178	4.6
421.09079	24.3
427.10464	28.4
439.10107	24.7
445.10675	4.5
457.11316	66.1
463.10065	6.7
475.11743	8.2
481.11530	16.5
499.12228	13.4
505.11279	7.9
511.12552	19.1
523.12372	19.2
529.13318	3.8
541.13416	13.8
559.14545	14.4
577.15320	7.0
593.36322	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	595.1654
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03952	0.2
55.01853	0.2
57.03438	0.6
58.83416	0.1
61.02917	1.0
65.03940	0.1
66.74110	0.1
68.06261	0.1
68.99466	0.1
68.99798	0.3
69.03421	1.5
71.04171	0.1
71.04621	0.2
71.04995	2.2
73.02908	0.3
73.77804	0.1
75.01555	0.1
81.03419	0.9
85.02905	7.1
87.04450	0.2
89.80520	0.1
91.03941	0.5
92.63794	0.1
93.88985	0.1
97.02885	1.7
99.04456	0.2
103.66549	0.1
105.03362	0.3
107.04926	0.2
109.02868	0.5
111.00829	0.5
111.04469	0.2
121.02851	1.9
123.04405	0.1
127.03900	1.3
129.05479	0.7
133.02878	0.3
135.04443	0.2
137.02347	0.7
139.03900	0.4
145.04944	0.7
145.06401	0.2
147.04382	0.5
153.01833	2.8
161.05977	0.1
165.01846	1.5
171.04326	0.2
175.03862	0.2
183.02864	0.7
185.05951	0.4
203.07112	0.1
213.05444	1.1
215.39063	0.1
228.33238	0.1
231.06403	0.6
241.04898	0.9
243.06439	0.2
258.05252	0.8
259.05963	0.3
269.04416	0.3
277.98352	0.1
287.05481	100.0
288.05814	2.3
299.05441	0.2
317.06921	0.1
329.06461	0.2
433.11295	2.7
449.10822	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.9
57.03435	2.8
61.02919	2.3
68.99792	3.0
70.31092	1.7
70.83516	5.0
78.77850	1.8
85.02902	7.9
95.04996	2.1
97.02914	1.9
103.03967	3.6
107.04922	1.9
109.02872	2.5
111.04443	2.0
119.04941	7.3
121.02868	37.9
123.04436	5.1
123.69339	1.9
127.03947	7.0
139.03931	4.8
145.02873	4.1
145.64778	2.1
163.03897	2.9
173.05916	2.6
175.03798	2.2
179.03387	5.1
181.05067	2.4
187.03928	2.7
189.01825	6.5
191.03337	5.3
194.02194	2.1
195.02948	8.4
201.01799	2.4
203.03470	8.5
205.04926	3.1
207.02907	7.5
215.03401	3.7
217.04984	5.4
219.02902	8.5
221.04472	4.5
227.03410	2.7
229.05019	3.6
232.81721	1.8
233.04404	4.2
243.03204	2.5
247.06007	2.7
255.02779	2.8
257.04489	3.9
261.03958	2.1
267.06546	2.9
268.07300	6.6
271.06082	2.2
273.03723	2.8
275.05460	2.0
279.06488	5.8
281.05206	1.7
281.08191	7.1
283.06070	7.3
285.03986	2.9
287.05569	5.5
293.08057	4.9
294.05240	23.2
295.06015	85.2
296.06714	8.8
297.07501	10.0
307.06009	50.7
307.09500	4.1
308.06625	15.2
309.04276	3.0
309.07449	13.6
313.07098	7.0
317.08185	3.5
319.05994	6.8
320.06677	3.1
321.07574	30.6
322.08334	13.7
323.05682	3.0
323.09094	5.8
325.07071	100.0
326.07120	2.8
333.07404	8.7
335.09109	15.7
336.06213	2.4
337.03180	3.5
337.07077	57.2
337.11041	3.8
338.07440	2.9
345.07751	3.1
347.09210	12.1
349.07059	33.8
349.10623	1.7
350.07596	2.0
351.04797	3.2
351.08606	25.3
355.08084	20.8
357.07611	2.8
361.06934	21.0
361.10696	3.1
363.08698	8.7
365.10364	13.6
365.14474	2.9
367.08127	5.7
373.07117	6.6
375.08768	12.5
377.05963	2.3
379.08130	53.1
385.06985	3.6
387.08630	2.6
391.08127	32.8
393.09586	2.8
399.08698	2.3
401.10400	3.6
403.08105	23.0
409.09171	37.6
415.08521	3.1
421.09195	21.9
427.10254	36.1
433.09821	2.8
439.10223	30.4
445.09866	3.7
457.11325	71.1
458.11588	3.5
463.10144	6.8
475.12408	11.9
481.11282	22.0
487.10300	3.1
493.11310	2.9
499.12320	14.4
505.11304	7.0
511.12537	15.3
523.12329	23.4
529.13422	7.8
541.13348	25.8
559.14551	15.4
577.15167	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	595.1599
Annotation	Cupressuflavone tetramethyl ether
Peak:m/z	Relative Intensity
53.03942	0.2
67.05500	0.2
70.18664	0.7
79.61068	0.2
88.07622	0.2
91.05472	1.2
92.06310	0.2
94.04177	0.2
95.04977	0.5
95.08606	0.2
103.53126	0.2
103.87013	0.2
105.03393	0.6
109.02882	0.6
118.04158	0.2
119.04952	1.2
120.05729	0.4
121.06509	1.8
123.04462	0.3
123.99765	0.2
132.05727	0.4
133.02835	0.3
133.06471	0.5
135.04411	2.3
146.05962	0.2
147.04385	1.0
148.05220	1.0
149.06047	0.3
152.04721	0.8
154.57709	0.1
175.03952	0.7
176.04710	1.4
188.75262	0.2
213.05510	0.2
213.09200	0.3
226.02667	0.2
229.01463	0.9
240.07808	0.6
242.02142	0.3
243.02811	0.3
257.00803	0.9
258.27124	0.2
267.06619	0.4
269.01563	0.2
269.04440	0.2
269.08182	0.3
271.02512	0.2
272.03250	0.5
275.01828	0.2
275.07190	0.2
283.06091	0.5
284.06717	0.3
285.07593	1.9
297.07645	1.6
298.08411	0.3
301.04953	0.2
301.08310	0.2
302.05573	0.2
303.06671	0.4
305.08005	1.0
311.05536	0.7
315.06656	0.8
317.08185	0.5
318.05539	0.3
327.06665	0.3
329.04529	0.2
329.08063	0.3
330.05197	0.2
330.08884	0.3
331.05911	0.5
331.09937	0.2
332.06915	0.4
333.07529	1.6
334.08646	0.2
343.06094	1.5
343.09717	0.2
345.07669	0.6
346.04730	0.6
346.08502	0.3
347.09039	0.4
348.09955	0.4
357.07809	0.3
358.08426	1.3
359.05408	0.2
359.09335	0.3
360.06137	0.4
360.10196	0.3
361.07034	2.8
370.04831	0.2
371.05505	0.4
373.07114	0.7
374.04172	0.6
374.08267	0.4
375.08606	1.1
376.09341	1.6
385.07169	0.9
386.07840	3.0
387.08722	0.5
388.05630	2.2
389.06561	3.3
389.11398	0.3
392.10294	0.3
393.10767	0.2
401.06644	0.3
403.08081	3.2
404.08890	9.2
405.09656	0.6
406.07559	0.3
407.12930	0.3
415.08453	0.3
419.11429	0.5
420.09500	0.2
421.10547	0.3
426.07388	0.2
431.07581	0.4
432.09433	0.2
433.10376	0.3
434.11447	0.3
435.12601	0.3
445.09869	0.2
448.09192	0.4
449.09579	0.3
463.11929	0.8
464.12491	0.3
474.11136	0.4
475.11826	0.6
477.13358	0.6
478.14240	0.4
479.15109	0.3
481.12787	0.3
487.12354	0.2
490.10587	0.6
491.11319	1.7
492.11987	0.9
502.10126	0.2
505.13562	1.1
506.13678	1.0
507.14529	0.7
509.12231	2.2
516.12610	0.2
517.13361	0.8
518.10016	0.3
519.10767	0.9
520.11542	2.3
521.11841	0.3
523.13867	0.4
533.12256	1.4
534.12927	1.5
535.13898	9.5
536.12488	0.3
537.11871	0.6
539.17212	0.6
547.10120	0.4
548.10858	0.4
551.13367	1.5
552.14044	1.8
562.12579	0.6
563.13361	4.8
565.11249	0.5
579.12775	2.9
580.13580	5.4
581.14197	0.4
593.14417	0.3
595.15955	100.0
596.16290	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	595.1597
Annotation	Cupressuflavone tetramethyl ether
Peak:m/z	Relative Intensity
60.15456	0.2
67.05521	0.2
72.58265	0.3
80.21214	0.2
84.55640	0.2
89.03979	0.2
91.05478	0.7
93.07040	0.4
95.04956	0.3
95.08625	0.3
98.21497	0.6
98.98479	0.2
102.04713	0.3
105.07054	0.4
107.01340	0.2
107.04952	0.4
115.05508	0.3
118.04169	1.8
119.04923	0.3
121.02846	0.4
121.06511	0.5
122.88691	0.2
132.05733	2.3
133.02924	0.3
133.06508	0.7
134.95444	0.3
135.04398	1.2
141.07062	0.3
152.06201	0.3
153.07021	0.6
155.03366	0.4
157.06496	0.2
161.05971	0.3
165.07030	0.5
167.03519	0.2
168.05727	0.5
169.06516	0.4
175.03940	0.4
181.06404	1.3
182.02084	0.3
182.07274	0.8
183.08105	1.0
184.03664	0.4
185.06049	0.5
195.08130	0.4
197.06024	0.7
197.09642	1.0
198.06754	0.6
199.07509	0.8
209.05952	0.6
211.07442	1.7
212.04712	0.4
213.05556	0.5
213.09018	1.3
221.05925	0.5
225.05505	0.7
225.09013	0.3
226.06256	0.6
227.07039	1.2
237.05487	0.9
238.06300	0.9
239.06999	2.6
240.04042	0.4
240.07761	1.7
241.05008	0.4
241.08670	1.0
249.05557	0.8
251.07118	0.3
252.07892	0.9
253.04941	0.9
253.08583	2.4
254.05884	0.8
254.09381	2.7
255.06546	2.4
256.07254	2.2
257.07953	0.3
265.04987	0.9
266.05783	1.1
267.06686	1.0
268.03717	0.3
268.07153	0.3
269.04834	0.5
269.08063	5.5
270.05588	0.4
270.08881	1.1
281.04858	0.8
281.08047	10.8
282.05228	0.9
282.08841	1.0
283.06064	2.6
283.09717	0.8
284.06784	8.3
285.07489	1.5
297.07565	13.4
298.08362	4.1
299.09103	0.9
300.06354	1.2
313.06973	0.5
335.25854	0.3
361.07098	0.4
389.06702	1.1
402.07822	0.3
404.08997	1.2
435.08649	0.5
449.10220	0.7
450.11047	0.3
461.10376	0.5
477.09735	1.9
478.10229	0.6
493.12814	0.7
505.08960	0.5
506.09851	1.7
509.12283	0.5
533.08313	0.4
534.09448	2.2
535.13934	0.5
537.11597	0.4
545.12329	0.6
548.10803	0.4
549.11823	18.5
552.14386	0.5
563.13684	1.3
579.13025	1.5
580.13373	2.7
595.15955	100.0
596.16479	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1596
Annotation	Cupressuflavone tetramethyl ether
Peak:m/z	Relative Intensity
67.05505	0.8
67.40826	0.7
68.35085	0.7
69.26320	6.7
74.53535	0.6
79.05489	1.3
81.07071	1.7
85.82120	0.6
87.34164	0.6
91.05499	1.3
95.08600	1.3
105.07043	1.0
107.04966	1.1
107.08648	0.8
109.02927	0.7
109.10174	0.9
117.01772	0.6
123.04443	2.0
127.03912	0.7
133.02869	2.3
136.64159	0.5
139.03920	1.4
140.43558	0.6
141.18651	0.6
147.04453	1.4
150.83736	0.6
151.03931	1.1
163.03947	2.7
165.05486	0.8
167.07098	2.2
177.05507	1.5
181.04959	1.0
189.05466	0.8
227.14659	0.6
237.05556	1.1
300.07965	0.9
315.06567	0.8
327.06577	0.8
329.08008	1.0
336.36246	0.7
356.06799	0.9
357.07703	0.9
369.07855	0.8
374.08206	0.9
385.07751	0.7
387.08627	1.8
388.09555	1.3
402.11166	1.4
409.10797	0.9
419.08505	1.0
420.09335	1.3
423.08917	0.9
437.10245	2.7
445.10693	0.8
448.09326	0.9
449.10428	0.9
451.08640	1.0
459.08966	0.8
463.11664	0.7
465.09497	1.4
476.08707	1.1
477.09396	1.2
479.07791	0.8
481.13196	1.8
489.09399	0.7
490.10794	1.3
491.11154	1.7
493.08990	3.2
501.09625	1.0
504.08701	1.1
505.08664	0.9
509.12140	4.7
518.10016	2.2
519.10699	2.4
521.08838	1.9
533.12604	1.0
534.13239	2.7
535.10931	2.2
536.11072	3.9
537.11890	6.2
551.13403	14.8
552.14270	0.7
563.13446	1.2
564.13025	0.7
565.11279	2.2
579.12573	1.6
580.13684	2.3
595.15985	100.0
596.16382	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1447
Annotation	Kaempferol-3-Glucoside-6''-p-coumaroyl
Peak:m/z	Relative Intensity
53.03952	0.4
55.01870	0.4
55.30643	0.3
56.64024	0.3
59.63131	0.3
65.03958	1.8
68.99796	0.4
69.03426	1.3
69.67225	2.4
79.05502	0.7
79.46333	0.3
81.03428	2.1
85.02897	0.8
91.05479	14.2
92.05813	0.4
95.04967	0.5
105.07007	0.5
107.04966	1.4
109.02882	0.9
109.23844	0.3
111.04458	0.5
115.05489	0.5
119.04939	31.5
121.02876	1.6
121.06477	0.3
123.04398	0.6
127.03883	1.1
129.07043	0.4
133.02910	0.4
135.04445	0.5
137.02357	0.6
137.05963	0.6
139.03848	0.8
140.50177	0.4
145.06456	0.5
147.04404	100.0
148.04762	1.2
149.05902	0.4
151.07469	0.4
153.01807	2.6
161.05894	0.4
163.03906	0.6
165.01820	0.8
165.05470	1.3
167.07013	2.4
173.05997	0.5
175.03912	0.4
177.05441	0.5
181.04947	3.0
182.15446	0.3
182.86069	0.3
183.02881	0.6
189.92731	0.4
191.51460	0.3
202.46861	0.3
205.08618	0.4
213.05519	0.9
225.43446	0.4
231.06490	0.7
241.05092	0.7
258.05173	0.9
261.04080	0.4
287.05487	49.8
288.05707	0.7
291.08536	1.6
293.08063	0.4
329.06470	1.2
385.12787	0.4
416.14578	1.9
419.07562	0.4
595.22095	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1447
Annotation	Kaempferol-3-Glucoside-6''-p-coumaroyl
Peak:m/z	Relative Intensity
53.03939	0.4
65.03939	1.0
69.03413	1.2
69.43028	1.8
79.05482	0.2
81.03416	2.9
85.02908	1.1
91.05482	10.7
91.96093	0.2
95.04955	0.4
97.02906	0.4
98.21542	0.4
99.04446	0.3
107.04958	0.7
109.02885	1.2
115.05582	0.2
119.04939	24.7
120.05318	0.2
121.02886	0.8
123.04359	0.5
127.03911	0.9
128.70750	0.2
130.77473	0.2
131.04878	0.3
133.06419	0.2
135.04454	0.4
137.02344	0.3
137.05931	0.2
143.05016	0.2
145.06494	0.3
147.04405	100.0
148.04703	1.6
153.01830	0.8
157.06567	0.2
158.07179	0.2
159.97935	0.2
165.01889	0.5
165.05460	3.6
167.06970	0.9
177.05536	0.2
181.04948	3.7
183.02983	0.2
191.06876	0.2
205.08731	0.3
213.05478	0.4
225.97552	0.2
235.98270	0.2
287.05496	20.4
288.05945	0.6
291.08600	4.6
309.09680	1.5
329.06528	0.4
385.12756	0.5
398.13559	0.6
401.92679	0.2
415.13663	0.2
416.14630	2.6
424.71667	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.01854	2.4
55.43254	1.4
56.96546	5.1
65.03947	1.8
68.99780	8.0
69.03419	3.8
69.43046	11.5
81.03407	6.5
83.47398	1.4
85.02909	9.7
97.02886	5.0
98.97574	7.2
99.04433	2.4
100.07646	1.5
109.02860	5.5
111.00787	5.8
111.04398	1.8
116.98604	4.6
119.04977	2.9
121.02786	2.0
123.04419	31.3
127.03917	100.0
134.99652	3.4
135.04416	9.2
137.05957	2.9
139.03902	83.6
145.04951	2.0
146.99625	2.7
147.04407	11.0
149.02367	3.0
151.02748	2.1
151.03906	23.4
153.01826	10.7
159.04504	2.0
161.05925	4.1
163.03911	17.7
165.05539	5.5
167.03386	5.4
173.06044	1.7
175.02626	2.2
175.03925	13.9
177.00615	2.6
177.05466	8.2
179.03398	23.7
181.04968	2.3
185.06087	2.5
187.03880	3.2
189.05469	3.9
191.03423	14.7
193.04955	4.5
197.06044	1.9
199.03821	2.2
201.05511	6.1
203.03387	23.4
204.40904	1.5
205.04979	2.9
213.05504	5.8
217.04956	4.7
219.01804	3.5
223.01102	1.9
227.07077	2.2
229.04895	7.6
233.04463	5.8
237.02805	5.9
241.05060	3.7
244.99905	1.8
245.04474	11.2
246.05263	1.7
247.05943	9.1
251.05524	2.2
253.04869	2.3
257.04538	13.6
258.04846	1.8
259.06049	6.1
263.05569	6.7
269.04477	2.9
271.06064	8.8
271.08533	1.5
275.05511	23.7
281.06967	4.0
283.06082	2.2
287.05508	53.4
289.06909	5.0
291.08667	11.6
299.05505	15.4
301.07144	3.1
305.06577	7.8
317.06525	10.3
347.56256	1.7
407.07578	3.2
409.09354	10.6
425.08527	13.0
427.10144	4.4
443.09653	4.8
595.16449	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91994	0.7
55.01867	2.5
64.23573	0.7
65.19845	0.8
65.65319	0.8
67.05504	1.0
68.99787	6.7
69.92490	5.2
79.92632	1.0
81.03416	2.6
90.05091	0.8
95.04947	2.3
99.04427	1.3
105.03403	1.4
109.02857	4.0
109.90189	0.9
111.00826	6.0
111.04438	2.6
119.04926	3.4
121.02882	2.6
123.04429	35.2
127.03915	100.0
128.04176	1.8
131.04955	1.0
133.02852	2.1
135.04399	3.6
137.02365	1.2
139.03900	69.9
143.04912	1.5
147.04404	13.9
149.02316	3.3
149.05917	1.0
151.03899	28.7
153.01796	1.8
155.03372	2.9
157.06506	1.2
159.04405	1.5
161.05949	1.4
163.03888	7.4
165.05458	8.6
167.03429	6.3
171.04425	1.6
173.05975	1.0
175.03917	13.2
177.05505	4.9
179.03401	31.6
181.04909	1.2
185.06004	2.0
187.03926	1.9
189.05447	2.5
191.03394	12.6
193.04935	4.1
199.03899	0.8
200.26387	0.8
201.05458	5.6
203.03377	20.2
203.05196	1.4
203.07092	0.9
205.05031	3.3
207.06586	1.7
213.05525	4.8
215.03500	1.1
217.04906	4.4
219.06509	1.5
223.02338	1.9
227.03217	1.0
229.04993	6.3
231.06566	3.1
233.04425	5.7
241.04883	4.3
243.06396	1.1
245.04471	9.4
247.06007	1.8
251.05536	1.7
257.04474	15.8
258.05081	1.1
259.05957	4.6
263.05533	4.8
269.04425	4.3
271.05859	4.2
275.05505	14.6
277.07004	1.3
281.04391	1.0
287.05487	37.9
288.05746	1.1
291.08636	10.5
297.07611	0.9
299.05557	11.1
300.05902	1.1
301.07086	1.1
305.06491	6.9
317.06549	7.7
323.05551	1.1
407.07617	5.9
409.09256	6.8
425.08746	7.6
426.72711	1.0
427.09991	1.5
443.09232	2.2
451.10202	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.8
52.49760	0.8
55.01874	1.3
65.03948	1.2
67.05505	0.9
68.99789	7.4
69.99414	2.1
69.99830	2.8
81.03423	3.2
83.88643	0.8
86.05513	0.8
91.05478	1.1
93.03391	1.1
95.04974	1.5
98.72199	1.0
99.04454	1.9
109.02885	4.3
111.00787	6.6
111.04441	2.0
119.04960	2.7
121.02865	2.1
123.04432	33.4
127.03917	100.0
133.02849	1.3
135.04410	2.1
137.02403	0.9
139.03900	72.3
139.18150	0.8
140.04279	1.4
142.24367	1.0
147.04419	13.7
149.02357	2.2
151.03912	29.8
151.05130	1.6
153.01718	1.3
157.06444	0.9
159.04515	1.8
161.05971	3.5
163.03899	5.8
165.05547	7.5
167.03448	5.0
171.04410	2.3
173.05951	1.2
175.03908	18.9
177.05457	4.8
179.03401	28.5
181.05019	1.5
183.04440	1.5
183.60625	0.9
185.05998	2.5
189.05516	3.6
191.03377	11.3
192.23625	0.8
193.04956	5.0
199.03993	1.8
201.05466	3.9
203.03404	24.9
205.04932	2.0
211.01935	0.9
213.05408	4.0
215.03455	1.0
217.04974	5.0
219.06537	1.5
229.04915	4.0
231.06563	4.2
233.04370	6.2
241.04955	2.5
245.04474	10.0
247.06015	2.5
247.50970	0.9
251.05476	1.5
253.04979	1.3
257.04419	13.4
258.04697	1.0
259.05899	4.4
263.05490	6.8
269.04529	4.3
271.06003	2.7
273.07755	1.2
275.05490	22.1
287.05508	58.1
288.06000	1.4
291.08630	11.4
295.06073	1.1
299.05493	16.4
305.06558	7.4
311.05286	1.4
317.06491	12.0
325.06979	1.2
409.09116	8.2
425.08652	17.3
427.10217	3.6
436.85205	1.0
443.09747	4.7
451.10510	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62941	0.8
53.00293	0.7
53.74348	0.7
55.01870	1.6
55.18439	0.8
56.82037	0.7
65.03929	1.7
67.01863	1.1
67.05444	0.9
68.99787	6.8
69.03418	1.7
71.02668	1.6
71.02975	1.0
71.04975	1.0
73.86580	0.8
78.19587	0.8
81.03398	3.5
85.02909	4.0
91.05482	1.9
93.03387	1.2
95.04984	1.2
97.02898	1.2
99.04421	1.1
100.36336	0.9
105.03375	2.0
107.04953	1.8
109.02848	3.9
111.00819	6.8
111.04435	1.6
113.84403	0.8
115.05521	0.8
119.04921	5.0
121.02860	5.7
123.04425	41.6
127.03914	71.0
131.04913	1.2
133.02831	2.2
135.04388	2.3
137.02312	1.9
139.03897	65.1
143.04929	1.0
145.06427	1.4
147.04399	17.5
148.50851	1.0
149.02332	2.4
151.03900	25.4
153.01834	1.3
155.03375	1.9
159.04414	2.2
161.05988	4.4
163.03891	8.2
165.05458	7.2
167.03389	1.9
171.04416	3.1
173.06050	1.2
175.03899	17.1
175.05312	1.6
177.05461	5.6
179.03391	34.4
180.03531	0.9
181.04965	2.7
185.05948	2.8
187.03906	1.5
189.05458	5.4
191.03342	9.5
193.04976	6.1
197.05991	1.6
199.03873	2.1
201.05449	4.5
203.01529	1.3
203.03391	25.6
203.06966	1.1
205.04933	1.4
207.02852	1.3
207.06429	1.9
213.05510	5.7
215.03461	1.3
217.05049	5.6
220.20468	0.9
223.02246	1.3
227.03423	1.0
229.04964	6.4
231.06471	3.7
233.04439	3.5
241.04977	5.1
245.04439	14.5
247.05937	1.1
253.04861	1.4
257.04462	17.9
258.05243	3.2
259.06067	4.9
260.93024	0.8
263.05475	5.6
269.04407	4.9
271.05936	5.7
275.05481	18.9
277.06982	1.2
278.25656	0.9
283.05865	1.0
287.05487	100.0
288.05896	2.1
291.08655	8.0
294.05151	1.0
295.06058	5.3
299.05484	15.5
301.07175	1.4
303.08667	2.0
305.06494	4.5
307.05917	3.0
308.06824	1.4
311.05484	1.9
313.07126	0.9
317.06512	8.9
321.07703	1.6
325.07092	4.7
337.07126	3.9
349.07025	1.2
351.08612	1.8
355.08069	1.3
361.06973	1.6
365.10388	1.1
379.08197	2.2
391.08026	2.4
403.08035	1.6
407.07162	0.8
409.09192	21.3
421.08997	2.9
425.08698	9.6
427.10181	6.3
433.09656	2.0
439.10196	4.8
443.09598	1.5
451.10379	5.1
457.11136	3.6
481.11282	1.6
499.12231	1.0
523.12457	1.0
530.73419	1.0
541.13226	1.2
565.56702	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94143	1.1
55.01877	1.8
65.03943	1.0
68.99790	9.0
70.70963	2.0
70.71361	1.8
74.07482	1.1
79.05524	0.9
81.01183	0.8
81.03417	4.6
91.05463	1.2
95.04958	2.9
99.04451	1.5
105.03380	1.4
109.02868	3.6
111.00837	5.2
119.04955	1.9
121.02849	1.6
123.04435	29.4
127.03918	100.0
133.02898	1.9
135.04420	2.9
139.03903	67.3
142.54842	1.2
147.04404	11.9
149.02356	2.3
151.03909	30.4
151.05135	1.7
156.85063	1.0
157.06555	1.3
159.04463	1.6
161.06000	2.6
163.03920	7.0
165.05486	6.5
167.03407	3.3
171.04456	1.9
175.03920	17.3
177.05472	4.7
179.01819	1.9
179.03403	30.7
185.05908	1.2
189.05475	2.6
191.03406	10.1
193.05026	3.7
201.05496	5.3
203.03397	21.5
207.06511	1.9
213.05461	6.3
217.04985	3.3
229.04999	4.2
231.06526	3.1
233.04509	4.5
241.04991	3.5
245.04434	9.1
251.05409	1.7
257.04419	10.8
259.06049	3.5
259.60611	1.2
263.05588	5.8
269.04495	4.5
271.06076	3.2
275.05484	19.8
287.05508	49.2
288.05731	1.8
291.08633	11.1
299.05560	13.1
303.08826	1.7
305.06442	6.6
317.06589	9.0
328.40836	1.1
330.35318	1.1
400.89081	1.1
409.09052	6.3
421.87976	1.1
425.08487	10.1
427.10339	3.3
443.09445	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.9
53.00287	1.1
55.01863	2.1
55.40161	1.0
61.81187	0.9
65.03943	1.3
65.43716	0.9
67.05460	1.3
68.99776	7.1
69.99648	1.0
70.94147	2.1
73.73598	0.8
81.03421	2.9
85.02899	3.3
91.05488	2.8
93.03416	1.0
95.04947	2.5
97.02875	1.7
105.03407	1.8
105.07038	1.6
107.04992	1.2
109.02876	3.8
111.00802	7.7
119.04935	6.4
121.02860	4.0
123.03722	1.1
123.04420	72.2
127.03911	80.8
133.02849	1.9
133.06590	0.9
135.04424	3.7
137.02325	2.0
139.03896	93.6
143.04939	2.1
145.06554	1.4
147.04390	28.2
149.02339	3.0
151.03909	26.4
153.01768	2.3
155.03442	1.3
159.04347	2.3
161.05949	5.6
163.03914	9.3
165.05467	13.4
167.03389	2.4
167.04726	1.1
169.04967	1.0
171.04407	2.6
173.05911	1.4
175.03908	19.7
177.05472	6.2
179.03389	39.6
179.06915	1.5
181.04958	3.3
185.05991	2.3
187.03955	2.3
189.01877	1.3
189.05444	6.5
191.03362	10.3
193.05005	10.0
197.06090	1.2
199.03944	3.1
201.05522	3.1
203.03381	31.1
203.06718	1.6
205.05042	1.7
207.06557	3.0
212.35982	0.9
213.05473	6.5
215.03378	2.1
215.07077	1.6
217.05022	5.9
219.06555	1.7
221.04480	1.7
223.02428	1.3
229.04930	8.0
231.06511	4.3
233.04498	3.4
233.96112	1.0
235.06033	1.0
241.04987	5.4
243.06604	1.7
245.04457	23.8
247.05931	1.0
255.06729	1.5
257.04413	24.3
258.05225	3.0
259.06024	4.9
263.05481	9.5
265.30304	1.0
269.04514	6.1
271.06009	7.1
273.07794	2.3
275.05472	22.0
277.07135	1.6
281.04355	1.3
287.05487	100.0
288.05862	2.0
291.08578	10.4
295.06137	2.3
299.05444	23.2
301.07251	2.1
303.05197	1.2
305.06592	7.2
307.05975	1.2
311.05493	3.4
315.08502	1.3
317.06555	14.7
325.06927	2.0
329.06479	2.1
333.09726	2.3
349.07248	1.1
379.08200	1.8
391.08081	1.7
392.10004	1.0
392.53525	1.1
409.09180	30.0
421.09134	3.0
425.08575	15.7
427.10089	6.1
433.09589	2.2
439.10309	5.4
443.09613	2.3
451.10324	8.7
457.11270	2.0
469.11182	1.5
481.11490	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.108
Annotation	7,4'-di-O-galloyltricetiflavan
Peak:m/z	Relative Intensity
50.01584	0.6
51.02372	0.7
53.00308	0.3
53.62978	0.3
54.43567	0.3
55.01866	0.5
56.57911	0.3
65.03934	0.7
65.13303	0.3
68.99787	1.1
69.03423	0.4
70.89642	0.4
70.89988	0.7
73.18598	0.3
75.67001	0.3
79.01848	4.5
81.27808	0.3
83.05007	0.4
85.02914	0.6
86.09682	0.5
95.04939	0.5
95.08546	0.3
95.90664	0.3
97.02870	1.1
107.01308	1.2
110.35779	0.3
111.00793	1.3
111.04441	2.3
123.04422	18.4
125.02335	2.8
127.03888	0.7
135.04416	2.1
137.05873	0.3
139.03894	50.5
143.03395	7.1
147.04422	3.6
151.03922	0.7
153.01822	100.0
154.02240	0.7
157.06355	0.3
163.03908	1.2
163.07533	0.6
186.69048	0.3
189.05527	0.6
197.58211	0.3
273.07556	17.9
287.05502	2.8
327.13220	0.4
367.13101	0.5
368.13104	0.8
425.08682	0.9
491.01611	0.4
567.28503	0.3
595.21765	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64154	1.0
57.19605	0.9
65.15659	0.9
67.05507	1.5
68.49982	0.9
71.59460	1.0
77.06593	0.8
78.88548	0.9
79.05508	1.9
81.07063	1.6
93.07047	1.3
131.01886	1.0
279.44543	1.1
293.20966	1.2
593.36639	100.0
594.37158	2.4
595.30939	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1077
Annotation	Catechin 3,7,-di-O-galate
Peak:m/z	Relative Intensity
51.02372	0.7
53.03934	0.4
55.01862	0.8
59.02642	0.3
65.03921	0.7
67.05489	1.1
68.99766	1.0
69.03424	0.6
69.77349	2.2
70.06590	0.5
77.03924	0.6
79.01856	1.8
83.04979	0.4
85.02899	0.8
95.04957	1.5
95.73973	0.3
97.02885	1.0
105.03382	1.3
107.04960	0.7
111.04437	2.8
121.02880	0.4
123.04422	100.0
125.02341	1.4
127.03931	0.6
135.04401	0.7
139.03896	60.4
143.03392	3.9
147.04424	1.6
151.03915	8.8
153.01822	42.5
154.02185	0.7
161.06056	0.4
163.03848	0.9
189.05386	0.5
273.07584	5.2
287.05490	9.2
295.14554	0.4
304.16132	0.4
305.02994	1.6
305.06146	0.4
372.82925	0.4
471.07336	0.4
518.60815	0.4
541.84058	0.4
588.86200	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
54.70559	1.1
55.05503	2.3
55.90715	1.3
57.03431	1.3
57.07071	2.4
59.05010	1.7
59.89842	1.2
65.03939	1.3
66.69184	1.1
67.05507	13.1
68.99787	1.9
69.03428	12.7
69.07048	2.7
69.54482	2.8
69.54887	8.2
73.02916	1.4
79.05478	2.7
81.03397	3.8
81.07054	8.9
83.01358	1.7
83.04970	2.2
85.02905	32.9
85.06562	5.7
89.64130	1.3
91.05485	8.1
93.07034	6.5
95.04959	3.0
95.08605	34.4
97.02907	6.9
98.20775	2.1
99.04465	3.8
105.07034	15.6
105.07696	2.0
107.08599	7.8
108.68713	1.2
109.02885	2.2
109.06497	5.9
109.10154	13.6
111.04410	2.7
111.06352	1.1
112.60678	1.0
113.06032	2.7
115.44153	1.3
117.07034	2.1
119.08585	22.5
121.02868	4.9
121.06485	2.2
121.10145	12.5
123.04427	10.6
123.08062	11.9
123.11704	32.7
125.05993	9.0
127.03910	14.8
131.08549	3.6
133.06509	1.8
133.10101	3.8
135.04413	2.2
135.11702	5.1
137.05986	3.3
137.09639	2.3
139.03900	5.2
139.07530	1.7
143.03348	1.4
145.04977	2.8
145.10123	6.8
147.04384	4.0
147.08012	2.4
147.11682	26.2
148.12030	1.2
149.02373	2.3
149.09607	19.6
151.03883	2.7
151.07515	9.3
153.01816	7.7
156.09378	2.4
161.13258	7.4
163.03906	4.3
163.11189	4.7
165.12744	5.2
167.10667	7.9
171.11684	4.0
174.10364	6.1
177.05469	1.5
179.03471	2.8
179.14284	1.9
189.12741	41.4
191.03320	1.6
201.05563	2.5
207.13794	67.5
208.14131	2.5
219.02901	2.3
225.14851	13.4
229.04997	2.3
233.04390	1.2
245.04512	1.4
251.09160	2.1
257.04425	3.2
261.03995	2.2
271.06116	2.5
275.05417	2.3
287.05441	5.7
291.12717	1.3
303.04990	100.0
304.05399	7.5
305.62109	1.3
309.13824	1.3
315.04944	1.8
318.16064	1.7
333.16953	21.1
351.05414	1.2
351.18073	31.5
369.19128	12.5
373.13092	1.3
387.19992	2.4
395.25870	2.4
410.17731	1.5
411.17010	2.5
417.11697	6.6
435.07095	2.5
441.08090	11.4
453.08011	5.1
593.32910	1.7
594.19995	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2752
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
50.81638	0.6
53.51839	0.8
66.69791	0.7
67.43852	0.8
69.81770	5.1
145.81400	0.7
163.27213	0.7
267.32828	0.8
287.69980	0.8
387.16394	0.9
388.16873	0.9
389.17477	1.3
402.18509	1.8
403.19330	4.1
404.20053	2.0
405.20865	3.1
416.20462	1.0
417.12418	0.9
417.16348	2.1
417.21533	6.1
418.21640	3.6
419.22379	6.2
430.22263	1.0
431.18115	12.3
432.18655	4.2
433.24121	7.2
434.24588	1.2
445.19968	15.4
446.20624	7.6
447.21756	6.1
459.21432	4.5
460.22452	14.5
461.23322	12.6
462.19958	0.8
473.23486	2.9
476.25793	1.7
477.23099	1.6
489.26184	0.9
491.24432	1.3
505.21686	6.1
519.23840	0.9
533.25470	21.1
565.27606	1.1
593.27570	100.0
594.27710	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	593.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
70.04075	3.2
79.56333	0.6
84.27737	0.6
112.75153	0.6
134.05963	0.5
148.36302	0.5
154.08437	0.5
274.38638	0.5
342.20203	0.6
389.17953	0.8
402.18518	0.6
403.19052	2.3
405.20602	0.9
417.21515	2.8
418.21640	1.3
419.22305	2.1
429.20660	0.6
430.17606	0.7
431.18268	6.3
432.18802	0.9
433.24100	5.6
434.24738	1.4
445.19858	6.6
446.20511	3.1
447.21777	4.1
449.23929	0.7
456.82150	0.5
459.21222	2.6
460.22516	12.1
461.23288	10.4
473.23627	1.0
476.25766	1.6
487.24939	0.8
489.26529	0.8
491.23911	1.1
492.25323	1.4
505.21878	4.3
518.23010	0.8
533.25488	43.9
534.26215	1.0
565.28168	0.9
593.27563	100.0
594.27985	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	593.1287
Annotation	CHEBI:65854
Peak:m/z	Relative Intensity
52.04031	0.5
53.75573	0.4
57.41069	0.4
62.64363	0.4
65.60410	0.4
68.99805	1.5
69.93238	1.1
69.93651	1.5
72.89895	0.4
86.81535	0.5
98.20764	0.5
105.72691	0.5
109.02897	0.8
111.00809	0.6
114.04468	0.4
121.02886	1.8
123.04430	6.4
127.03936	1.6
135.04428	0.5
137.02353	0.7
139.03905	3.1
143.03413	0.4
147.04419	0.8
149.02338	1.5
151.03889	1.2
153.01836	7.4
154.66544	0.5
159.04384	0.7
163.03885	1.1
165.01814	0.5
173.06058	0.7
175.03929	0.7
177.05498	0.7
179.03470	0.7
187.03792	0.5
191.03418	1.7
201.05513	1.1
205.05003	0.9
215.03441	1.0
219.03006	1.1
229.04985	2.0
233.04271	1.0
243.02803	0.5
247.06044	1.1
257.04462	1.9
261.03912	1.5
271.06006	0.8
273.04324	0.5
275.05548	1.4
285.04056	1.0
287.05490	7.1
299.05630	1.0
303.05002	100.0
304.05365	1.8
315.05075	1.8
323.21118	0.6
327.05023	1.2
417.11630	1.4
423.07324	0.5
425.08621	0.7
435.06967	1.8
441.08124	11.1
453.08160	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	593.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73335	1.5
72.59653	1.7
82.43960	1.7
91.05801	2.1
91.50430	1.6
113.29993	1.4
116.75062	1.5
118.06551	16.8
123.04430	5.2
127.03891	2.4
132.08095	5.4
135.04457	3.6
136.19362	1.8
139.03911	6.6
144.08078	13.2
146.04962	1.9
146.06012	56.3
151.03954	2.4
155.22975	1.7
159.09210	5.0
170.06000	5.2
179.03494	2.8
182.44337	1.5
188.07069	100.0
189.07422	1.7
205.09727	33.8
245.04402	2.0
276.21365	1.6
287.05542	2.9
305.27463	1.7
376.24661	2.4
425.09000	1.8
427.24792	1.6
461.01794	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.1
56.39565	0.7
57.07051	0.7
60.35270	0.8
60.64712	0.6
67.05487	1.9
69.28366	0.6
69.41852	1.5
69.42255	5.5
72.72878	0.6
73.85630	0.7
74.65730	0.6
79.05503	1.1
81.07038	2.7
89.84250	0.6
91.05470	1.3
93.07035	1.3
95.08592	1.4
107.08617	0.9
109.10174	0.7
112.78162	0.7
119.08608	0.6
121.10117	0.9
127.03983	0.9
131.08559	0.7
137.26157	0.7
151.03900	2.0
169.04965	7.9
169.10150	0.7
193.04979	0.7
209.13239	1.1
225.16298	0.7
535.42163	0.9
591.38605	100.0
592.38910	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36037	1.0
69.40991	4.7
69.41423	5.4
79.05495	1.8
81.07066	1.6
82.46442	1.1
93.07011	1.2
95.08610	1.2
105.77844	1.1
107.49062	1.1
117.11226	1.0
118.98331	1.0
149.68785	0.9
163.56755	1.1
163.89140	1.0
356.82690	1.1
498.94244	1.1
591.38605	100.0
592.38806	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	591.498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34185	4.4
55.05500	17.9
57.03431	12.8
57.07076	39.4
61.38633	4.2
66.28157	3.7
67.05499	47.7
69.07058	19.6
69.80784	10.0
69.81203	22.7
71.08618	30.4
71.89424	4.2
79.05496	28.4
81.07050	54.0
82.73203	4.1
83.08607	10.6
85.10194	8.8
91.05482	16.3
93.07031	36.0
95.04939	5.9
95.08606	51.9
97.10194	7.7
98.21452	7.6
102.94364	4.0
105.07038	11.6
107.08595	27.7
109.10149	17.9
117.07027	5.0
119.08617	9.1
121.10145	21.8
123.11709	6.8
124.73235	4.5
131.08575	14.3
135.11737	22.0
141.31142	5.0
145.10136	9.5
145.21150	4.1
147.11653	6.3
149.13248	16.1
161.13254	9.8
163.14767	10.5
173.13191	4.5
187.14772	6.0
243.21129	21.9
261.22186	46.2
313.27341	100.0
317.24701	9.8
335.25763	58.2
510.59488	5.2
573.48511	18.8
591.38623	14.4
600.21674	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	592.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.3
55.05494	7.4
55.31722	3.1
64.23235	3.2
66.95609	2.9
67.05493	11.2
71.04996	3.2
75.13538	2.5
79.05488	14.7
81.03424	4.1
81.07032	12.8
85.02847	4.6
87.73228	2.9
91.05477	6.4
93.07019	17.3
94.06570	16.9
95.04980	6.1
95.08596	18.6
105.07030	9.5
110.09686	6.8
111.08091	15.8
122.09655	32.8
123.08066	21.8
128.10709	28.3
140.10704	100.0
141.09084	10.0
148.79648	2.5
158.11801	4.0
158.30096	3.2
272.25879	4.6
333.17313	5.8
334.17758	5.8
382.33041	9.9
394.32986	15.1
412.34195	47.6
422.62234	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.2
55.05498	5.9
57.07063	6.4
67.01845	5.9
67.05515	24.9
69.03423	7.5
69.07065	7.8
69.37671	37.6
70.66746	3.3
71.08628	6.1
72.57248	3.3
79.05490	21.7
81.03406	13.2
81.07054	22.7
83.08643	3.9
85.02898	8.3
85.10155	3.5
91.05473	7.4
93.00511	3.9
93.07040	16.3
95.05004	4.9
95.08614	22.3
97.02839	4.8
105.07021	10.7
105.84087	3.6
107.08597	13.5
109.02814	3.7
109.10126	8.5
117.06998	5.9
119.08614	5.3
121.10141	9.5
123.04431	11.1
123.24545	3.8
127.03922	10.0
131.08566	8.5
135.11665	6.8
145.10150	7.5
151.03893	23.7
157.10130	4.9
169.04968	100.0
193.04956	8.7
211.05986	6.1
257.26294	4.1
261.22107	8.9
313.27307	14.4
335.25839	5.7
335.38028	4.9
591.38409	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.8
55.05502	16.1
57.03436	8.4
57.07075	38.9
67.05507	40.8
69.07056	14.4
70.49723	10.9
70.50082	4.6
71.08638	24.6
71.23476	3.6
79.05495	35.2
81.07050	34.0
83.08617	16.0
85.10181	14.6
90.16144	3.5
91.05486	47.2
93.07040	40.1
95.05007	4.0
95.08610	37.0
97.06512	4.1
103.14107	3.5
105.07042	53.9
107.08598	27.5
107.27859	3.7
109.10148	16.5
110.90947	3.3
117.07016	15.3
119.08580	48.5
121.10169	15.7
123.11724	8.9
129.07011	6.6
131.08565	23.0
133.10149	38.6
135.11667	16.7
143.08571	6.8
145.10098	17.7
147.11699	47.6
149.13271	10.7
157.10129	6.2
159.11726	10.8
161.13242	40.2
165.08008	3.9
171.11668	13.2
173.13283	8.4
175.14888	16.8
185.13301	10.9
187.14792	8.1
199.14867	5.6
231.21051	12.5
239.23805	6.3
241.19466	37.3
259.20572	100.0
276.59299	3.5
313.27371	99.7
315.23160	6.2
333.24219	47.1
498.72498	4.4
571.46942	10.8
589.48102	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	591.0124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30463	0.5
53.77004	0.5
56.45148	0.4
58.89162	0.4
60.85229	0.5
60.98701	0.5
65.31176	0.5
65.95455	0.5
70.97001	1.1
70.97372	0.4
72.19358	0.5
76.92747	0.5
86.68036	0.5
94.93011	50.8
130.08669	0.7
135.62981	0.6
150.91992	1.8
175.67667	0.5
206.88608	11.0
208.29321	0.5
233.18819	0.5
248.89653	100.0
249.90050	0.8
271.77127	0.5
308.91000	0.6
309.00189	0.7
542.54309	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14323	3.7
51.16174	3.6
53.03939	13.3
55.01869	8.3
55.05511	50.9
57.03434	9.0
63.84743	4.3
65.03925	4.7
67.05168	6.5
67.05505	73.5
67.26405	3.1
69.03419	5.1
69.07068	28.1
71.04990	4.4
71.43761	3.1
71.59108	5.4
79.05491	100.0
81.03428	19.2
81.07050	68.7
83.04980	18.4
83.08620	19.3
85.06529	4.7
91.05477	61.0
93.07043	66.9
95.04978	37.4
95.08594	37.1
97.02865	8.7
97.06521	11.2
97.10178	21.0
97.10713	3.6
105.07031	59.2
107.04951	15.1
107.08610	26.9
109.02888	4.3
109.06509	8.3
109.10138	12.8
111.04474	3.8
111.08035	4.1
115.05505	3.5
117.07003	19.8
119.08581	32.8
121.06493	8.3
121.10109	8.8
123.08060	18.0
123.11653	6.0
125.09631	15.0
125.17790	3.7
128.06203	4.4
129.07011	17.1
131.08620	19.6
131.09395	3.2
133.06494	6.3
133.10132	14.5
135.08040	4.9
135.11667	5.8
137.09653	6.1
141.06976	4.6
142.07834	3.7
143.08543	10.5
145.10107	17.4
147.08072	11.1
147.11673	28.1
149.09666	6.6
159.11684	6.2
160.31923	3.5
161.09622	5.4
161.13264	10.9
161.14743	3.3
163.11198	6.3
169.10101	6.1
171.11694	22.0
175.11150	5.2
189.11275	8.2
189.12759	8.0
191.10666	3.7
195.90082	4.0
207.12041	3.6
207.13744	19.0
223.13295	14.6
227.12796	14.9
249.14873	6.2
273.18390	24.9
281.17462	28.6
291.19565	87.9
347.22015	5.8
365.23141	19.2
571.36432	61.0
589.37189	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	589.301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.9
57.07069	2.0
60.92078	1.5
67.01850	4.0
67.05503	9.1
69.03421	6.0
69.07041	3.0
69.25149	8.9
69.25579	12.2
79.05499	9.4
81.03408	5.9
81.07056	11.3
83.04972	2.5
83.08598	2.3
85.02904	5.6
88.88754	1.8
91.05504	10.3
93.07047	11.6
95.04956	4.1
95.08598	8.3
97.02852	2.2
97.06508	1.7
105.07024	11.0
107.08575	7.0
109.02859	1.8
109.10128	3.4
117.07021	5.2
119.08564	9.8
121.10126	5.0
123.04405	3.2
127.03932	10.0
129.06998	3.7
131.08559	6.0
133.10117	6.9
135.11681	7.0
139.03908	3.0
141.53575	1.6
143.08528	3.1
145.10104	6.4
147.11674	6.1
149.13261	4.0
151.03905	23.8
157.10114	2.1
159.11668	7.4
161.13223	3.1
163.03957	4.4
163.14931	1.6
169.04970	100.0
169.10054	2.1
171.11638	3.6
173.13237	5.0
181.04962	7.5
185.13274	2.7
199.14737	1.8
241.19550	3.5
257.18848	2.7
259.20651	5.1
275.20224	2.0
277.21762	2.3
301.21765	2.9
308.44022	2.0
367.22662	2.9
385.23712	10.2
403.24930	5.9
409.23590	2.4
421.25769	5.5
466.57678	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94205	0.9
53.03935	3.5
55.01868	2.7
57.03429	2.9
61.02903	1.6
61.70250	1.0
68.99793	1.3
69.03428	11.3
70.06607	1.1
70.30389	0.9
71.05004	1.9
71.58371	1.6
73.02915	3.0
79.05478	2.9
81.03414	9.9
81.07060	3.7
82.77489	1.0
85.02909	17.3
87.00826	8.4
91.03973	1.0
91.05477	4.3
93.07034	2.0
94.04189	4.1
95.08613	1.8
97.02872	7.2
99.04454	4.4
103.05433	5.5
104.06289	1.1
105.01865	3.4
105.07008	4.8
107.04932	1.8
107.08596	1.4
109.02886	8.9
109.06532	2.4
109.10169	1.5
112.63900	1.2
115.05463	4.5
115.86687	1.0
117.01876	1.4
117.05489	2.7
117.07031	1.4
119.08580	4.2
121.06514	1.4
122.03651	9.4
122.07688	1.0
127.03919	13.3
128.06244	4.4
129.06970	3.5
131.04938	6.1
132.05714	3.8
133.06480	3.2
137.05974	100.0
139.03874	1.8
141.06952	1.3
145.04974	3.5
145.06482	1.6
146.03656	2.3
147.08044	4.5
147.11763	1.1
149.06004	2.7
150.72060	1.2
151.03893	1.4
153.01837	1.5
159.02911	3.8
159.08054	2.0
160.05193	3.4
161.05983	13.7
163.07538	12.9
165.07179	1.0
167.07016	2.5
169.06531	1.5
172.48328	1.0
175.07538	53.5
177.05476	1.7
184.05171	2.0
187.07552	6.1
190.07799	1.1
191.08580	2.3
193.86368	1.2
199.07538	18.0
201.09152	1.1
202.07751	7.2
203.08545	13.7
204.09216	1.2
217.06592	1.3
217.08609	1.4
218.07303	1.4
219.08028	6.8
220.08789	3.7
221.09541	1.7
230.07243	1.3
231.05086	1.3
231.05521	1.6
231.08041	18.7
232.08791	3.6
233.09676	1.1
235.10991	1.2
236.08107	1.3
237.09251	1.4
245.09903	1.1
247.07602	3.9
248.08336	8.1
249.09055	3.2
251.10645	2.7
254.43825	1.0
258.06750	1.2
259.07538	12.3
260.08322	4.6
261.09195	1.9
263.10703	9.2
265.08624	2.6
275.06906	1.5
276.07816	6.2
277.08612	4.8
279.10141	3.5
280.10968	1.7
291.10168	18.0
292.10812	5.8
293.08084	2.9
295.13275	3.8
308.10477	5.5
309.11084	1.3
311.12714	8.6
323.12769	46.7
324.13129	1.7
325.14468	3.2
325.96829	1.0
335.12576	1.4
341.13937	2.6
350.07632	1.1
353.13681	1.2
448.89825	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.01862	2.2
57.03422	1.6
61.02927	0.8
65.07788	0.6
66.04713	0.9
68.86286	0.5
68.99777	1.3
69.03425	7.2
70.14326	0.6
70.75111	1.3
70.75455	0.5
71.04990	0.6
73.02892	0.8
73.29798	0.5
79.05480	1.6
81.03409	7.3
81.07066	0.8
85.02902	14.9
87.00835	5.0
91.05482	3.0
94.04169	3.4
95.04952	0.7
97.02878	5.0
99.04435	2.4
103.05452	2.3
104.06253	0.6
105.01841	4.3
105.02446	0.6
105.03316	0.6
105.07024	5.3
107.05017	0.9
109.02872	7.0
109.06487	1.2
115.05424	3.2
117.01824	1.2
117.07003	1.0
119.08556	1.4
121.06490	0.8
122.03644	6.9
127.03912	10.0
128.06197	1.6
129.01862	0.8
129.06999	2.0
129.08005	0.6
131.04898	1.6
132.05704	2.3
133.06517	3.8
137.05969	100.0
138.06296	1.1
143.04895	1.0
145.04988	3.1
145.06476	1.7
146.03638	1.4
146.07153	0.6
147.02985	0.6
147.04396	1.9
147.08034	4.6
149.05951	2.3
151.07573	0.7
155.04883	0.8
159.02908	2.7
159.08049	2.8
160.05219	1.7
161.05972	15.7
163.07526	1.1
163.11397	0.5
169.06448	0.6
171.08009	1.0
172.05235	1.2
175.07539	31.5
176.07979	0.6
179.07080	1.5
184.05179	1.2
185.06137	0.7
187.07536	10.4
190.07718	3.1
191.06921	0.9
191.08528	6.7
195.41122	0.6
199.07512	6.8
202.07776	4.2
203.06876	1.0
203.08545	7.3
204.09045	0.5
205.06442	0.8
205.10115	0.6
208.08836	1.0
212.60599	0.6
218.07274	2.0
219.08035	10.6
220.08813	4.0
229.08595	1.3
230.07170	0.8
231.05002	2.0
231.08046	9.5
232.08812	1.5
233.09615	1.0
235.07536	1.2
235.11165	0.7
236.08354	1.6
237.09029	0.5
241.08879	0.8
247.07535	5.1
248.08345	4.8
249.08997	1.3
251.10648	12.4
258.06616	0.9
259.07541	6.2
260.08234	2.8
261.09143	1.5
263.10690	4.6
264.07834	0.8
265.08566	1.1
267.10431	0.7
275.07114	0.7
276.07748	3.2
277.08536	2.9
279.10135	9.2
280.11023	1.4
281.07828	0.6
291.10107	13.2
292.10977	1.7
293.07983	1.9
294.24472	0.6
295.09995	0.6
295.13239	1.4
296.10370	0.8
303.10220	0.7
308.10544	3.0
311.12750	30.1
312.13007	1.0
315.09805	0.6
321.11288	1.2
323.12753	23.9
324.13104	0.7
333.11316	1.0
335.12790	1.6
341.14020	0.9
353.13882	1.6
365.13571	0.7
401.14243	0.6
419.15067	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38630	3.7
55.01873	9.5
55.05513	28.9
57.03432	9.9
66.17441	4.2
67.05502	86.3
69.07061	17.7
69.42150	40.9
71.01354	8.1
71.04983	4.0
73.63827	3.4
77.22771	4.0
79.05064	5.2
79.05488	60.1
81.03413	31.5
81.07058	84.1
83.04984	6.8
83.08610	15.9
91.05476	43.1
93.07043	58.1
95.04978	73.3
95.08603	52.2
97.10150	12.8
99.08090	4.5
105.07022	34.6
107.04948	17.6
107.08578	39.4
109.02874	16.0
109.06507	11.8
109.10134	19.8
111.08068	8.7
117.07007	23.3
119.08577	23.6
121.06485	7.1
121.10125	27.4
123.04436	87.3
123.08021	4.4
123.11667	6.0
125.09631	7.2
129.06981	13.4
130.07819	4.7
131.08556	23.9
133.10107	18.7
134.58292	4.9
135.08046	5.6
135.11697	24.0
143.08577	10.6
145.10110	32.6
147.08038	8.8
147.11676	11.9
149.13234	6.4
153.09108	6.6
155.08572	5.5
157.10167	5.8
159.11731	9.5
161.13226	5.2
163.11165	20.8
171.11700	14.3
173.09616	11.6
173.13226	4.2
189.12764	10.6
191.10649	8.4
207.13828	15.1
217.12236	12.3
235.13283	100.0
261.22195	9.7
309.16995	59.4
335.25824	98.4
336.49911	5.1
364.31778	4.3
403.44388	4.6
477.33435	6.3
513.35437	4.8
569.38397	50.2
587.39227	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	587.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	9.9
55.05511	30.8
57.03434	8.9
65.03956	8.3
67.05181	6.8
67.05505	100.0
69.07053	20.5
71.01350	7.9
71.04964	5.4
71.59060	5.7
79.05495	64.5
81.03417	36.4
81.07058	78.7
83.04969	15.9
83.08600	16.1
91.05476	51.6
93.07043	51.5
95.04971	74.7
95.08595	47.5
97.06512	8.1
97.10173	10.0
105.07024	29.5
107.04945	19.5
107.08577	40.5
109.02851	13.0
109.06478	8.4
109.10143	23.0
117.06982	12.3
119.08595	30.6
121.06493	8.7
121.10137	20.4
123.04433	69.4
123.08037	6.5
125.09638	9.9
129.07045	12.7
131.08557	22.5
133.06500	6.8
133.10141	17.4
135.08061	9.9
135.11650	14.4
143.08527	9.2
145.06473	7.1
145.10075	19.8
147.08038	10.1
147.11665	12.2
157.10129	8.6
159.11708	6.8
161.13174	6.6
163.11192	17.0
165.12808	6.8
171.11670	11.6
189.12700	12.5
191.10675	5.2
199.11185	6.4
207.13829	12.9
217.12369	11.4
226.36241	5.4
235.13271	98.6
276.62738	5.4
278.08267	4.9
301.14456	8.7
309.16974	53.1
335.25824	71.6
467.86179	5.9
477.33478	9.2
551.37219	7.9
569.38538	56.9
587.40228	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	587.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.6
55.01870	4.1
55.05509	20.9
56.74379	1.8
57.03437	2.3
57.07067	7.5
59.04986	4.5
60.50895	1.8
61.02930	10.0
65.03934	4.8
67.05500	47.3
68.99774	11.4
69.03426	26.6
69.07067	70.8
69.25371	11.0
69.25797	12.3
71.04987	5.7
71.08633	4.1
79.05488	20.9
81.03414	15.9
81.06580	4.6
81.07055	85.7
83.04984	5.8
83.08617	17.8
85.02892	6.7
85.06544	4.8
87.00835	6.4
91.05480	20.0
93.07047	48.9
95.04978	12.4
95.08605	61.9
97.02900	21.3
97.06520	8.4
97.10194	2.3
98.21536	3.9
99.04446	3.5
105.07021	35.4
105.50739	2.0
107.08589	65.6
109.02871	21.0
109.06512	7.8
109.10152	100.0
111.04416	3.0
111.08067	6.3
111.11702	6.2
112.72775	2.0
113.09615	2.9
119.08590	28.5
121.06502	8.1
121.10135	32.5
121.58844	1.9
123.04414	2.2
123.08042	4.9
123.11710	31.0
125.06020	3.5
125.09633	2.7
127.03916	33.3
129.01825	16.6
129.06999	4.7
131.08574	21.5
133.06445	2.3
133.10127	31.0
135.08044	6.0
135.11708	21.3
137.02347	3.4
137.05951	3.9
137.09625	19.8
137.13235	12.0
139.07536	2.3
139.11115	3.3
143.08575	3.5
145.04933	2.2
145.10123	15.8
147.02861	4.9
147.08052	10.7
147.11658	16.3
149.09618	27.3
149.13249	6.0
151.03885	3.2
151.11189	17.3
153.12735	25.5
155.10614	3.8
157.10129	5.5
159.08070	3.8
159.11705	10.7
160.08894	2.0
161.09631	22.6
161.13318	4.2
163.11208	5.1
163.14857	4.4
165.09106	31.5
165.12766	2.7
167.10713	17.9
169.10124	2.7
173.09618	8.5
173.13246	8.7
175.11163	12.1
175.14822	7.2
177.05521	4.0
177.09109	18.9
179.10660	19.8
185.13304	2.9
187.14813	5.3
189.09087	2.0
189.12888	2.5
189.16376	3.1
191.10716	9.7
191.14197	3.1
193.12254	6.2
193.15851	3.9
195.10118	5.0
199.11229	2.4
201.12724	3.4
201.16441	6.4
211.14888	2.8
213.03906	9.7
219.13858	2.8
224.03615	2.3
229.15822	3.8
231.05069	3.6
233.15196	2.5
242.04666	3.1
243.21037	5.4
245.19141	2.5
247.16885	3.1
257.22638	8.4
261.22186	5.2
265.18076	2.0
267.21088	2.5
275.23669	9.3
277.21606	2.3
279.23148	4.7
285.22168	9.6
303.23141	28.6
316.49789	2.0
321.24194	25.6
339.25275	4.1
469.05911	2.3
545.16919	7.0
569.28516	2.6
587.31000	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	587.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	7.6
69.03394	3.7
69.36269	43.5
70.35526	3.7
81.07063	3.9
82.05728	4.0
91.05456	5.6
98.21497	10.2
107.08633	3.9
107.50213	3.6
109.06495	4.0
109.89511	4.1
133.32681	3.7
133.34691	4.3
137.02306	8.0
147.04422	5.5
153.01736	6.4
164.05608	4.3
201.05350	4.2
203.03418	6.0
207.06483	6.8
221.13155	5.1
229.04932	18.1
243.66292	3.7
257.04465	44.6
258.05203	59.8
273.04068	7.9
274.04736	5.4
286.04709	100.0
287.05472	75.0
301.03415	14.4
302.04205	74.5
303.04916	34.3
374.71036	4.4
587.08307	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	587.1394
Annotation	Prunin 6''-O-gallate
Peak:m/z	Relative Intensity
53.03942	1.6
55.01892	0.9
57.03422	1.5
67.01842	2.8
67.05484	1.4
68.99785	1.2
69.03420	3.8
70.00681	0.8
70.38586	3.0
79.01842	2.6
79.05464	1.4
81.03412	8.5
81.07037	1.5
85.02911	4.2
86.09718	1.1
91.05464	3.1
95.04955	0.9
95.08546	1.0
97.02870	8.8
99.04448	1.7
107.04974	1.4
109.02867	3.8
109.10137	1.6
119.04971	2.4
121.02869	1.0
123.04441	1.7
125.02342	5.5
127.03914	6.0
131.04886	1.0
137.05937	1.3
139.03909	1.4
143.03398	6.1
145.04898	1.0
147.04404	7.5
151.03880	1.6
153.01820	100.0
161.09613	1.2
165.09181	1.0
167.07050	3.5
171.01382	1.4
171.02872	26.6
175.03896	3.2
177.01759	1.1
177.05467	2.4
179.03412	1.5
179.06943	1.2
183.02887	1.1
191.03304	1.4
195.02875	10.6
197.01096	0.9
207.06549	4.2
209.57397	0.9
215.03513	0.9
219.02905	1.4
233.04454	1.0
261.03967	4.0
263.96176	0.9
273.07535	22.3
273.12335	1.0
297.05872	5.7
303.01566	1.0
303.04892	1.6
315.07544	1.3
339.08408	1.6
363.08527	2.1
381.09604	3.1
447.23611	0.9
587.38580	1.3
587.46503	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
55.01863	1.4
55.05514	11.6
57.03436	2.4
61.02909	1.3
67.05495	5.9
69.03429	8.2
69.07059	6.1
79.05449	3.6
81.03422	8.7
81.07070	7.5
83.04536	2.3
83.04986	20.7
83.08598	4.2
85.02904	10.9
85.06551	2.8
87.00831	5.4
91.05489	8.0
93.07049	11.0
95.04960	3.8
95.08600	9.5
97.02882	5.3
97.06506	2.5
97.10118	1.8
99.04460	2.6
99.08092	3.8
101.06016	4.1
105.01870	5.4
105.07034	20.5
107.08603	11.2
107.70431	1.3
109.02882	6.2
109.06514	3.0
109.10145	6.6
111.08090	4.2
117.06952	1.9
119.08582	19.6
121.10139	11.5
123.08055	3.7
123.11684	2.9
123.24419	1.4
125.09666	1.5
127.03905	12.8
128.06200	2.1
129.01762	1.5
129.05482	7.9
131.08549	4.3
133.10130	11.7
135.11693	8.6
135.49889	1.3
137.09631	2.3
139.07541	1.4
141.06999	1.5
141.09129	2.6
143.07034	29.0
143.08572	3.1
145.04930	3.7
145.10152	11.1
147.11690	26.3
156.09288	1.9
157.08659	1.9
157.10155	4.8
159.02913	3.7
159.11687	7.0
161.09578	2.7
161.13266	4.4
169.08620	6.0
171.11671	7.7
173.13280	4.9
175.14789	8.4
183.10133	2.9
183.11684	2.1
185.13255	10.7
186.14029	5.5
187.14825	7.3
197.13181	1.7
203.14314	7.9
204.15146	3.0
208.31070	1.5
213.16342	2.8
215.17967	3.7
229.19485	2.3
231.04958	2.5
239.17935	2.1
257.19019	3.6
275.20059	2.6
285.18430	6.2
302.14703	1.5
303.19553	100.0
321.20605	50.2
365.42850	1.6
453.57916	1.4
586.14410	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.3
55.05534	1.5
57.03431	4.8
61.02921	5.1
68.99793	4.0
69.03426	19.1
71.01353	2.6
71.05002	3.2
71.58892	2.7
73.02906	3.7
81.03413	17.9
81.07056	1.5
83.08640	1.4
85.02904	100.0
86.09745	1.9
87.00833	20.9
93.07043	1.4
95.01336	5.3
97.02879	19.1
98.27192	1.4
99.04453	7.1
103.03947	3.2
105.01862	33.2
109.02874	20.9
109.10222	1.6
111.04415	2.1
113.02374	3.0
125.02355	2.1
127.03919	43.4
129.01845	5.3
141.01823	15.1
145.04958	12.1
146.75343	1.3
147.02879	2.8
149.02312	1.5
159.02866	7.8
169.04979	2.4
169.97899	1.6
175.03986	2.1
177.03952	1.5
189.03934	4.9
207.06541	2.9
213.03990	4.2
231.04935	14.4
249.06084	6.0
253.84605	1.6
261.06186	3.6
273.06088	6.2
285.06003	3.0
379.52750	1.4
389.06989	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	586.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07076	2.9
66.06803	3.2
67.27870	2.8
69.75929	8.5
69.76340	12.5
71.72929	3.1
74.79149	4.1
85.02869	4.0
97.02906	5.9
98.20786	5.3
98.97581	6.6
107.19015	4.2
109.03525	3.6
116.98630	5.0
118.01089	5.9
118.76206	3.8
119.01904	9.3
123.32040	3.3
127.03934	4.7
131.01843	6.4
134.99686	3.4
137.05971	31.0
143.01915	7.9
145.03465	4.9
146.99750	4.0
147.04482	4.9
150.34132	3.5
155.01901	3.8
156.02739	5.5
157.21817	3.4
160.02141	5.6
161.02951	13.3
168.02629	4.6
173.02965	10.4
195.04988	14.7
196.02202	10.7
210.06102	14.6
218.04103	5.2
219.05002	25.0
221.02994	4.7
221.04991	9.5
223.04533	10.9
226.03737	10.4
228.07140	38.3
231.05064	8.7
236.05348	5.1
237.02722	8.8
237.05997	30.0
240.04591	4.3
244.04301	94.8
246.03908	4.7
247.04434	5.6
249.06122	6.9
251.06335	29.3
252.07138	50.7
259.04605	3.9
261.06000	9.4
262.05515	13.4
264.04742	20.7
264.07227	13.1
266.08633	6.0
269.07434	19.4
270.08221	47.1
279.07132	20.2
282.08203	14.4
307.06561	16.0
309.08185	6.9
312.09351	5.3
314.08817	9.9
321.08170	15.5
330.10489	5.2
332.09839	5.8
336.06598	6.8
343.09128	16.5
348.06851	59.9
349.07407	8.1
354.06235	5.5
354.10355	100.0
358.11417	5.6
361.10068	7.6
363.09149	11.8
366.07892	15.3
369.10303	6.4
370.07922	6.0
376.12625	6.0
381.10257	47.8
388.12442	7.7
390.13525	5.8
399.11386	56.7
406.13443	34.3
422.12988	5.6
522.57788	4.4
550.17383	20.8
568.18744	29.6
586.19867	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	586.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96000	0.8
52.63269	0.7
53.03936	2.0
54.01956	0.8
55.01862	1.6
57.03428	1.5
61.02919	3.6
67.01862	1.1
68.99795	1.0
69.03429	10.1
70.06592	2.2
70.35748	3.2
71.05003	1.3
71.80604	0.9
72.45374	0.7
73.02906	1.4
76.26012	0.7
76.50807	0.8
81.03413	4.3
85.02905	28.9
86.69341	0.8
88.03999	9.0
91.03959	2.1
94.09754	0.8
97.02903	10.0
99.04448	1.8
103.71551	0.8
109.02863	4.1
111.00845	1.0
113.02377	3.5
117.27366	0.8
118.40395	0.8
120.04434	0.9
127.03926	7.4
129.00067	1.1
137.00565	1.0
141.00005	1.6
145.04939	3.8
149.00581	3.0
150.03192	0.8
153.01823	100.0
155.01614	19.4
156.99536	2.2
162.05508	1.6
165.00082	4.2
166.03029	1.1
167.01659	1.1
169.03300	0.8
171.02757	0.8
179.01645	1.4
180.99605	2.0
183.01149	4.1
192.99606	1.0
194.02740	21.6
194.04518	6.0
195.02965	0.8
206.02647	1.6
208.04237	1.2
215.01768	0.8
219.01047	1.4
240.03233	87.7
241.03494	1.2
242.04398	0.9
243.01158	3.4
254.04877	1.2
255.03308	1.4
261.02133	5.8
271.00589	15.3
272.05856	7.5
279.03180	4.3
284.03229	2.7
287.05670	1.8
289.01688	2.4
299.00082	4.5
307.02710	7.7
315.03235	1.4
317.01108	31.7
317.04788	1.8
319.02686	14.0
335.02307	6.6
342.04306	1.4
343.02682	3.6
361.04056	0.8
378.06470	1.0
384.48886	1.0
406.05917	16.5
407.04285	5.3
424.06958	32.8
502.08936	1.1
586.12152	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44203	8.7
55.05504	18.2
57.57391	8.9
67.05517	17.0
69.07048	20.4
69.36787	100.0
71.28256	8.7
79.05485	21.7
81.07031	28.7
83.08607	15.9
91.05496	26.7
93.07019	37.6
95.04936	15.6
95.08595	19.3
105.07043	41.9
107.08567	26.3
119.08595	34.0
121.10172	23.3
129.64586	10.0
131.08568	16.7
133.10150	22.1
135.11668	10.0
137.68181	9.0
143.08618	14.8
145.10147	21.0
147.11626	13.0
149.09711	9.4
157.10143	17.3
159.11671	14.8
167.10773	12.9
171.11647	11.2
173.13290	11.3
267.01016	10.5
271.61914	8.7
404.15887	10.5
466.16528	11.1
507.57574	11.3
585.44757	21.2
585.56415	27.5
597.42853	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	585.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.5
63.99139	1.3
65.43568	1.2
67.05492	6.5
67.41354	1.3
69.03440	2.0
69.07072	1.9
75.41624	1.3
79.05494	8.6
81.03416	2.9
81.07043	4.5
82.10408	1.3
91.05466	5.4
93.07015	2.7
95.04945	4.6
95.08573	2.5
105.07037	3.0
107.04951	13.2
107.08609	2.6
109.02890	2.1
109.10141	4.1
110.07140	1.8
117.07051	1.8
119.08563	2.8
123.04395	3.8
124.05202	5.2
125.06027	2.1
125.09613	1.6
127.03885	1.3
131.04956	1.6
133.02849	3.0
137.02371	1.6
138.03114	7.8
139.07568	9.6
147.04416	28.2
152.04633	5.3
153.04311	2.4
153.05472	29.4
153.06830	1.8
163.03989	1.7
165.07033	2.1
167.07047	27.1
181.06473	2.1
185.05981	2.0
199.07526	1.5
210.06856	3.3
211.07471	4.4
213.05461	3.6
221.05914	2.5
226.06215	1.8
227.06898	2.0
234.06949	1.8
237.05424	3.7
238.06187	10.2
239.06978	6.1
241.05003	3.8
249.05423	1.8
251.07069	5.2
255.06583	2.8
256.07434	4.2
266.05725	6.4
267.06476	9.1
268.07138	1.7
269.04510	3.3
270.04962	1.7
271.06009	1.4
275.09317	2.0
282.04996	1.6
283.05960	12.4
284.06793	15.8
285.07602	7.5
299.09137	100.0
300.09564	2.3
341.07971	1.5
387.08463	2.7
398.07715	1.7
399.08722	1.8
416.08899	3.2
419.10913	1.8
427.67087	1.6
431.11163	16.6
451.13898	34.9
452.14429	1.8
475.13812	6.3
584.33618	1.5
585.17480	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	585.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25263	1.5
55.01884	2.1
55.05506	4.6
65.28983	1.5
67.05496	7.5
68.99813	2.7
69.07080	2.0
69.28130	20.9
73.96711	1.5
76.56093	1.7
79.05482	10.5
81.03404	2.5
81.07033	9.1
83.04948	1.8
83.08612	3.0
91.05479	9.9
93.07039	4.7
95.04961	6.4
95.08611	3.4
97.10197	3.0
97.44290	1.8
105.07021	3.9
107.04947	19.3
107.08588	3.5
109.06509	2.9
109.10144	2.6
116.29228	1.6
119.04955	1.8
119.08595	3.0
121.10123	2.6
123.04424	17.2
124.05229	6.4
129.07007	3.8
131.04948	2.2
131.08536	2.9
133.02852	2.2
133.10135	2.9
137.02371	6.4
139.07570	9.5
141.06995	4.4
144.05701	2.5
145.06432	2.1
147.04466	7.5
149.02397	2.0
151.03918	3.8
152.04729	7.3
153.05496	3.6
157.06537	4.2
159.11620	2.3
161.05923	2.2
163.03943	2.8
164.04652	2.0
165.07086	2.3
166.02666	1.9
167.07048	31.5
167.08432	2.7
168.05679	3.7
169.06544	7.1
171.04442	2.3
174.74181	1.6
179.03403	4.9
181.04926	3.4
181.06505	2.1
183.08083	2.8
185.05965	14.8
187.07611	2.1
196.05237	3.8
197.06006	7.6
210.06859	2.5
211.07622	5.3
212.04657	5.0
213.05464	18.4
217.79086	2.2
221.06053	4.3
223.07628	2.2
224.04684	6.0
225.05528	6.1
228.04207	4.0
229.04979	2.2
237.05574	2.8
238.06248	3.3
239.07014	15.7
239.09097	2.2
240.04298	4.6
241.04982	10.6
243.06441	13.9
245.08131	4.9
250.06189	4.3
253.05006	7.5
256.07297	8.2
257.04346	2.4
258.05301	4.5
265.05029	2.3
266.05740	2.8
267.06519	7.2
268.07492	3.5
269.04599	6.4
271.06070	15.0
271.09689	5.2
273.07651	7.1
278.05835	3.8
279.06473	3.2
284.06787	17.8
285.07480	26.4
285.10172	2.1
286.05075	4.3
286.08392	6.5
289.08594	2.3
291.06403	2.2
299.09171	76.5
301.07034	56.3
313.08624	3.0
315.06616	2.3
317.07993	3.2
327.06750	2.8
328.07300	4.0
329.08121	2.5
340.07516	2.5
341.08163	2.8
342.08728	2.3
343.09692	2.4
345.07614	5.7
355.06119	2.3
356.06906	2.7
357.07498	3.0
359.09265	2.7
369.07559	5.0
370.08453	3.3
371.09128	5.4
373.07169	6.4
387.08722	3.0
388.09393	4.1
398.07901	2.3
399.08646	5.4
401.06357	3.5
403.12027	9.9
416.08899	7.8
431.11304	58.9
432.11893	4.9
461.12274	4.4
475.14114	4.9
476.14603	11.4
491.13324	2.2
509.12680	2.3
539.13312	2.1
553.14575	2.9
554.15857	3.7
557.18433	8.3
570.14972	4.1
585.17395	100.0
586.18109	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	585.1755
Annotation	Hexaspermone C
Peak:m/z	Relative Intensity
53.03938	1.7
55.01860	1.9
55.05512	3.8
57.03440	2.1
65.03934	1.9
67.05507	6.1
68.88784	1.5
69.03419	1.6
69.07064	2.3
71.58733	1.5
71.79269	1.3
79.05494	12.6
81.03415	4.0
81.07063	5.8
83.05003	1.7
83.08618	3.3
88.67315	1.4
91.05466	9.2
93.07019	3.7
95.04980	7.5
95.08608	4.6
97.06617	1.4
97.10149	2.3
105.07043	5.2
107.04965	15.6
107.08601	2.8
109.02887	2.5
109.06486	2.0
109.10170	2.7
109.15073	1.4
111.04485	1.7
117.07011	3.6
118.28322	1.5
118.34796	1.3
119.08594	3.7
121.02869	2.7
121.06522	1.8
123.04441	21.2
124.05188	9.5
125.05986	3.4
128.06221	2.2
129.07007	3.5
131.04964	1.7
131.08537	2.6
133.02928	1.9
137.02365	6.8
138.03131	1.6
139.07535	10.0
141.06982	2.1
142.42761	1.5
143.08531	1.8
145.06453	3.0
147.04422	5.8
147.11671	2.3
149.02444	2.1
151.03961	2.9
152.04706	6.6
153.05406	3.2
157.06516	5.2
163.03918	1.6
165.07013	2.5
167.07057	36.1
168.05739	3.4
169.06543	4.2
179.03423	6.1
181.04984	6.7
181.06464	2.5
184.05283	1.8
185.05948	15.4
187.03929	1.8
189.11234	1.9
196.05304	4.6
197.06053	5.6
205.06726	1.6
209.06053	2.3
210.06787	3.3
211.03961	2.2
211.07559	6.2
212.04736	4.3
213.05457	24.1
215.07039	3.2
221.06012	3.3
223.07556	2.5
224.04744	4.3
225.05540	5.7
225.49963	1.5
227.06929	1.7
228.04291	3.2
229.05083	4.7
230.05692	1.8
237.05569	2.5
238.06299	3.3
239.07004	15.8
240.04144	2.6
241.04973	9.6
243.06509	13.5
245.08034	4.3
249.00516	1.7
249.05501	2.5
250.06273	4.2
251.06955	1.9
253.04910	7.8
255.06473	2.7
256.07352	5.2
258.05258	3.3
265.05124	3.0
266.05765	3.1
267.06607	5.9
267.16125	1.5
268.07193	2.5
269.04468	3.9
270.05234	2.7
271.05811	8.4
271.09711	6.4
273.07471	8.3
273.14807	1.8
275.20236	2.2
277.05020	1.9
278.05869	4.6
279.06464	4.4
284.06717	13.7
285.07468	20.7
286.04849	3.2
286.08417	7.1
299.09171	80.6
301.07028	67.3
313.08621	1.8
315.10187	2.1
327.06540	1.8
328.07602	3.3
329.08090	2.6
331.68423	1.7
340.07892	1.9
342.08768	2.6
343.09854	4.6
345.07648	6.2
355.05881	1.9
356.06943	3.6
357.07864	2.7
357.26633	1.5
359.09088	1.8
368.06717	1.8
369.07562	2.8
370.08313	4.5
371.09244	5.5
373.07159	5.9
385.06885	1.9
386.07364	2.9
387.08575	3.4
388.09451	4.3
389.10297	2.4
398.07709	2.2
399.08597	7.0
401.06235	2.2
403.12225	9.6
405.09766	2.0
415.08029	1.9
416.09021	6.6
417.09436	2.5
429.09814	2.5
431.11295	67.3
446.10001	2.5
461.12256	4.9
463.13953	2.9
475.13779	5.0
476.14709	11.7
478.10648	2.1
491.13409	2.8
494.23785	1.8
523.12421	1.7
527.12933	2.2
553.14844	4.0
554.15826	2.1
555.12891	1.9
557.18219	7.4
570.14313	3.3
585.17389	100.0
586.17719	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10268	0.6
59.35143	0.6
61.93740	0.6
63.27645	0.7
63.66224	0.7
67.01881	0.8
68.99786	1.3
70.53963	2.6
83.95039	0.7
86.23317	0.6
91.05528	0.8
98.21429	0.8
119.04968	0.7
121.02923	1.0
121.06543	1.7
123.04433	0.9
127.03928	0.9
135.04430	4.1
137.05936	1.0
139.03850	0.8
147.04420	0.9
149.02394	2.1
149.06024	1.3
153.01826	7.3
162.50070	0.7
167.03481	1.1
171.02919	3.1
193.98424	0.7
196.05209	1.9
197.05992	1.2
212.04713	1.7
213.05519	5.3
227.07050	1.8
228.07755	1.2
239.03421	1.1
241.04796	0.8
242.05806	2.6
256.81039	0.7
271.06171	1.0
287.11139	1.0
297.07498	0.8
299.09256	1.9
309.93341	0.7
315.10211	2.3
323.09103	0.9
343.09579	1.8
345.07407	0.8
345.11392	0.9
359.09149	1.8
371.08997	1.2
373.10583	0.8
375.12296	3.1
387.12283	1.8
387.20047	0.8
388.09644	1.7
389.10272	2.1
391.11639	3.6
397.99173	0.9
401.10254	1.7
403.11798	17.3
404.12534	3.6
415.12115	1.1
417.10138	1.0
431.11234	9.0
433.12885	19.7
436.11426	1.3
459.10645	2.0
477.10165	0.7
501.11816	1.6
511.13983	4.3
515.25482	0.7
539.13776	4.8
567.12830	5.2
585.13910	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.095
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96296	2.0
56.96567	33.3
70.54349	3.2
70.54724	3.3
71.95246	2.0
82.93217	1.3
84.96040	9.8
91.05476	1.6
98.97586	45.4
102.97061	2.0
105.07034	2.8
110.97569	17.6
116.98611	45.0
128.98593	39.1
131.00148	3.1
133.06535	1.8
134.99644	31.9
137.05911	3.6
140.00194	2.2
143.00174	7.2
144.98154	2.0
146.99654	46.4
149.01244	4.1
152.00177	2.4
153.00681	5.9
153.01779	3.1
157.06413	1.8
158.01308	3.4
158.99643	4.5
161.01233	14.5
161.05911	3.1
161.94867	1.5
162.99135	2.4
165.00748	8.1
170.01257	1.6
170.99612	4.2
175.07567	3.2
177.00706	4.6
179.02335	2.0
181.04990	4.9
187.07553	1.7
189.00697	6.2
201.00665	3.4
219.01733	14.6
225.97862	2.0
237.02824	38.4
255.03925	4.1
259.03760	1.6
260.04398	1.8
299.09238	5.3
315.01755	4.7
315.05316	2.8
322.01471	3.8
323.92017	1.5
330.04013	4.3
340.02585	3.0
343.01221	3.1
343.04938	2.1
348.05188	2.9
355.04819	34.4
355.72949	1.7
357.02841	8.0
358.03561	36.6
359.04260	3.7
361.02219	3.1
373.02505	2.1
373.05942	46.6
375.03806	4.3
376.04633	64.5
381.05267	2.5
383.04279	9.8
394.05923	2.0
396.07144	3.1
397.05942	100.0
399.06281	3.0
401.05399	4.1
409.05936	56.7
411.07745	2.3
411.14249	1.8
415.07007	30.9
423.07581	9.8
427.07025	11.0
436.04541	2.4
438.08771	4.1
439.06992	7.3
450.08441	3.2
451.06818	7.6
467.06665	7.4
469.08154	1.9
499.09116	94.3
500.09576	2.0
517.09894	7.0
541.10876	6.8
585.09845	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	585.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02062	1.3
55.04257	1.4
57.20422	1.2
57.20703	1.2
67.05483	1.9
68.99841	1.2
69.35965	14.5
79.05484	2.2
82.93757	1.4
85.02937	1.9
98.20795	2.9
118.04195	1.6
132.05733	1.9
133.06512	1.7
135.04436	2.1
149.02322	2.7
153.01808	11.6
161.06094	1.6
170.07266	1.5
171.02901	3.1
184.23233	1.4
197.05952	8.1
211.07751	1.3
213.05534	2.8
213.09106	1.7
214.06325	1.3
226.06229	7.7
239.06927	1.7
241.04956	2.3
243.62405	1.5
255.06561	5.6
269.08069	2.2
270.08823	3.3
283.06107	2.5
284.06839	2.2
285.07660	3.2
297.07516	9.0
313.07257	3.8
314.45609	1.6
391.11649	5.0
403.11783	19.7
431.11288	6.0
433.12851	19.8
459.10663	2.4
495.10843	2.0
511.13950	6.1
516.22632	1.6
539.05646	1.4
539.13702	3.5
567.12384	2.2
585.13922	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89445	11.5
57.07067	16.7
63.37013	12.1
69.07050	12.2
69.38980	100.0
75.17487	11.3
75.87919	13.1
79.05509	19.6
81.07059	21.8
89.06049	15.9
91.05470	27.4
93.07031	21.3
95.08592	16.2
98.21538	23.4
102.66944	11.6
105.07017	47.7
107.08601	23.3
109.10131	12.7
116.33504	10.8
119.08580	50.1
121.10162	12.9
121.22195	14.1
131.08603	17.4
133.08609	15.5
143.08533	26.7
145.10170	24.9
157.10161	18.7
159.11752	12.6
171.11740	27.6
181.10066	12.5
183.11667	17.5
185.13136	18.0
187.14763	13.9
197.13165	12.9
220.59836	12.1
221.15385	28.2
300.29001	20.8
311.29407	22.8
343.71365	13.5
352.23883	24.9
402.48187	14.4
416.63022	11.8
504.35870	39.0
563.85114	11.7
584.41998	16.3
584.56488	78.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72931	17.8
57.80590	18.2
60.02359	17.3
68.47712	15.9
70.09119	55.0
70.09523	40.0
72.42018	23.7
76.29540	17.2
79.05493	27.8
81.07037	20.2
89.06014	43.8
91.05483	22.7
93.07050	43.3
95.08585	34.9
98.21473	27.3
105.07016	53.3
107.08575	41.6
109.10135	19.8
117.06963	19.4
119.08555	48.1
130.29320	17.3
131.08549	30.4
133.08588	37.9
137.09561	15.9
139.52745	19.6
143.08586	25.9
145.10106	58.4
157.10117	38.7
159.11650	25.1
171.11754	23.6
183.11641	23.1
189.55806	17.5
195.11717	22.2
207.11758	19.1
221.15376	63.5
300.28815	20.9
311.29361	24.8
325.21216	18.2
352.23889	79.2
438.31064	28.3
504.35992	97.4
584.55908	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.2
55.05507	21.2
57.07069	19.9
59.05003	6.4
65.03923	5.7
67.05506	31.4
69.03413	14.6
69.07059	23.3
69.50961	5.1
70.21886	11.9
70.22276	18.5
79.05498	26.7
81.07056	47.2
83.04989	7.2
83.08609	10.8
91.05486	62.6
93.07053	63.1
95.04957	15.7
95.08621	46.8
97.06515	7.9
98.20707	6.0
103.05490	6.6
105.07027	100.0
107.08582	56.4
109.06511	14.8
109.10166	34.1
111.08120	6.2
115.05459	7.4
117.07030	19.1
119.08582	99.6
121.06541	7.6
121.10146	56.8
123.08044	21.1
128.06187	14.8
129.07008	22.8
130.07770	6.3
131.08569	36.6
133.10126	44.4
135.08086	14.9
135.11699	20.3
137.09616	19.5
141.06967	15.1
142.07787	33.8
143.08572	52.6
144.09315	9.7
145.10118	68.1
147.08052	20.0
147.11673	17.4
149.09642	12.0
151.07523	16.6
153.06932	6.5
155.08533	27.5
156.09328	26.1
157.10109	62.8
158.10901	9.3
159.08072	8.7
159.11703	35.6
161.09665	12.8
161.13287	6.9
163.11142	12.1
165.09126	48.7
166.07858	7.5
167.08583	17.8
167.10606	10.5
168.09407	10.5
169.10083	34.6
170.10942	9.6
171.11717	38.1
173.09566	6.4
173.13275	25.4
175.14876	12.2
179.08551	20.4
180.09189	5.7
181.10162	20.7
181.12273	8.6
182.10902	13.1
183.11723	34.5
184.12515	8.7
185.13281	21.9
187.14850	6.8
189.12794	6.2
191.14282	8.6
192.09380	8.2
192.35287	6.7
193.10120	16.6
194.10948	11.9
195.11699	31.3
196.12624	6.3
197.13303	19.7
199.14819	23.7
203.14250	16.2
205.10210	6.5
206.10889	11.5
207.11681	23.6
207.13731	7.7
208.12466	10.4
209.13303	30.1
211.14789	18.4
215.14082	5.8
217.15869	15.6
219.11700	14.1
220.12383	8.2
221.13280	20.5
221.15376	87.5
223.14694	10.6
225.16437	10.9
231.11548	6.7
233.13376	9.7
233.15411	8.4
235.14764	15.9
237.16422	10.2
239.18051	6.3
245.13437	12.0
246.13904	8.9
247.14713	10.2
249.16486	9.4
257.19241	8.4
261.16425	19.3
263.17728	7.2
265.19415	7.1
273.16306	7.0
275.17960	16.6
283.20526	20.5
289.19531	5.9
473.34424	8.0
491.34973	10.7
503.34927	8.2
565.40167	20.1
583.41406	63.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.6
55.05496	14.4
57.07062	10.4
63.06472	3.9
67.05497	25.2
69.03413	10.6
69.07057	15.4
69.38925	19.3
69.39355	20.0
79.05490	25.6
81.07059	30.9
83.04983	6.6
83.08589	5.0
85.06527	9.3
91.05479	46.4
93.07037	56.8
95.04970	12.1
95.08606	43.2
98.98473	4.7
103.05443	6.6
105.07024	63.7
107.08587	36.2
109.06512	5.6
109.10162	20.9
113.56416	4.2
115.05407	4.7
117.07011	16.4
119.08575	73.2
121.06504	4.1
121.10140	34.7
123.08076	23.2
123.11692	7.5
124.26191	4.3
128.06224	12.5
129.07011	23.1
130.07793	12.6
131.08566	32.8
133.10130	33.3
135.08054	10.3
135.11699	11.8
137.09599	8.2
141.06972	15.2
142.07777	21.9
143.08565	36.5
144.09363	5.6
145.10107	48.2
147.08038	14.9
147.11681	16.1
149.09596	8.5
149.13258	5.0
151.07568	13.3
153.07010	4.8
154.07738	5.7
155.01065	4.9
155.08586	15.7
156.09360	20.1
157.10129	51.6
158.10899	9.2
159.11652	25.4
161.13260	8.8
163.11205	7.7
165.09096	38.7
167.08519	9.4
168.09323	7.2
169.10101	31.6
170.10916	11.7
171.11684	29.6
173.13237	23.1
175.11220	5.4
175.14827	10.2
179.08542	13.7
180.09406	9.8
181.10101	18.0
181.12337	4.6
182.10941	9.8
183.11714	24.5
185.13257	18.2
187.14798	5.9
189.12787	7.5
191.14311	7.6
192.09354	5.4
193.10133	9.6
194.10864	8.5
195.11766	20.4
195.31360	4.1
196.12395	4.9
197.13303	25.0
199.14781	16.9
201.12543	4.7
203.14371	10.3
205.10065	4.8
206.10889	12.3
207.11652	16.9
207.13672	8.8
208.12560	5.3
209.13284	27.4
211.14784	11.7
217.15829	6.6
219.11652	7.3
220.12498	7.3
221.13196	17.7
221.15384	69.3
223.14909	11.9
225.16379	7.0
229.10104	4.9
233.13196	8.4
233.15329	7.0
234.13924	8.2
235.14804	11.1
237.16313	9.2
245.13249	4.7
246.13974	8.8
247.14772	9.0
249.16420	10.2
259.14899	8.5
261.16495	4.7
263.17935	8.6
265.19604	6.5
275.17920	8.5
278.01987	4.3
283.20563	11.5
341.30286	6.3
349.25317	5.0
375.26880	7.0
403.30307	5.3
430.94733	4.1
448.51965	4.2
503.35028	8.8
509.34064	4.4
547.38959	6.9
565.40472	26.4
583.41473	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75290	2.7
53.03934	6.9
53.21800	2.7
53.84338	2.5
55.05507	20.2
57.07064	9.6
59.04993	4.3
65.03935	6.5
66.37087	3.4
67.05502	29.9
68.38201	2.7
69.03423	6.7
69.07065	27.5
70.24875	9.4
70.25285	5.8
71.08630	3.0
79.05499	27.4
81.07057	40.2
83.04984	12.4
83.08614	12.3
85.06541	7.6
91.05479	56.8
93.07040	68.3
95.04954	17.1
95.08603	45.3
97.06526	7.8
97.10154	3.4
101.91870	3.3
103.05438	5.8
105.07030	87.3
107.08588	58.5
109.06511	7.2
109.10143	29.3
111.08115	3.3
113.09614	3.6
113.35606	3.1
115.05432	8.8
117.07018	21.5
119.08581	100.0
121.06511	7.8
121.10142	63.2
123.08076	15.7
123.11678	5.8
125.09621	5.7
128.06221	13.0
129.07019	22.1
130.07799	6.0
131.08585	40.1
132.09343	4.0
133.06451	4.0
133.10121	40.9
135.08054	11.9
135.11673	17.5
137.09625	8.6
139.11180	5.5
141.06982	12.8
142.07782	26.7
143.08560	42.7
143.75499	3.1
144.09332	8.7
145.10124	63.9
147.08029	11.9
147.11697	20.8
149.09650	14.3
149.13242	3.2
149.90143	3.2
151.07541	6.3
151.11082	4.0
153.06987	4.2
155.01009	5.5
155.08548	20.5
155.10649	3.4
156.09358	17.3
157.10118	64.0
158.10893	9.6
159.08069	6.3
159.11703	34.5
161.09616	7.2
161.13229	9.8
163.11177	6.8
165.07004	10.9
165.09148	19.6
166.07768	3.3
167.08554	9.7
167.10692	40.3
168.09387	6.4
169.10130	29.9
170.10886	12.1
171.11682	33.4
173.09599	3.7
173.13263	33.4
175.11157	6.7
175.14828	11.0
178.07730	3.8
179.08563	10.0
180.09323	6.9
181.10141	15.0
181.12238	6.3
182.10907	10.7
183.11702	26.2
184.12366	3.8
185.13274	22.1
187.11180	3.3
187.14787	9.7
189.12715	9.6
191.14287	8.3
192.09302	3.9
193.10121	13.7
194.10876	10.5
195.11742	20.6
196.12511	6.3
197.13210	23.3
199.14798	24.6
201.12605	3.5
201.16335	4.9
203.14287	8.2
205.10164	3.7
205.15869	3.6
206.10942	9.3
207.11684	20.9
207.13602	5.4
208.12462	8.7
209.13281	28.0
210.13921	4.7
211.14801	10.5
213.16277	3.9
215.14279	5.9
217.10179	4.4
217.15891	12.1
218.10875	3.8
219.11685	7.6
220.12439	6.7
221.13228	19.3
221.15399	31.7
223.14812	16.2
225.16382	10.3
227.14346	3.1
231.11649	5.7
232.12352	3.7
233.13248	9.8
233.15343	14.6
234.14093	4.1
235.14764	9.9
237.16418	10.7
239.17899	6.9
244.63313	3.5
245.13217	7.9
246.14032	4.8
247.14793	13.2
249.16379	11.3
251.17867	6.6
253.19611	4.2
257.19009	4.8
259.14825	10.4
260.15668	5.0
261.16403	10.9
263.18033	6.9
265.19507	6.0
271.20505	3.7
273.16345	4.2
275.17914	6.6
281.18906	3.9
283.20572	13.1
287.20285	5.8
289.19650	6.3
295.20480	5.7
299.20007	3.2
309.22159	3.8
331.24268	5.9
341.30319	6.8
347.23740	3.0
349.25134	6.0
361.25412	3.8
375.26517	5.0
403.30231	5.8
491.35010	8.9
547.39191	5.4
565.40271	17.4
583.15564	3.8
583.41431	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	583.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	4.0
53.03939	4.7
55.05502	16.8
57.07071	10.0
62.47893	4.4
67.05499	20.7
69.03429	5.6
69.07079	21.3
69.38110	6.2
69.38514	31.6
79.05486	30.3
81.07063	37.3
83.04965	7.1
83.08626	8.7
85.06575	5.0
91.05476	48.0
93.07048	62.7
95.04964	16.5
95.08621	32.2
97.06499	5.5
98.21513	7.8
99.47562	4.0
103.05454	7.1
105.07036	64.7
107.08578	47.0
109.06490	10.0
109.10147	23.5
111.07991	4.4
115.05457	6.2
117.07043	14.7
119.08588	75.2
121.06493	7.5
121.10138	62.0
123.08068	17.6
123.11742	7.9
125.09602	8.1
128.06242	10.3
129.06970	18.3
130.07826	7.9
131.08548	29.6
133.10109	40.1
135.08092	6.4
135.11707	13.2
137.09589	11.5
139.11176	4.4
141.06993	12.2
142.07776	19.1
143.08551	43.6
144.09361	11.5
145.10136	47.3
147.08012	10.3
147.11699	12.8
148.48064	4.0
149.09581	8.8
151.07561	15.9
153.07053	5.0
155.08565	16.1
156.09367	18.3
157.10114	46.6
158.10896	9.1
159.08131	4.4
159.11688	31.7
161.09666	4.8
161.13318	5.6
161.98766	3.9
163.11179	9.1
165.07021	5.5
165.09120	15.9
167.08565	13.4
167.10652	40.0
167.11664	3.3
168.09390	4.7
169.10144	23.3
170.10991	7.5
171.07936	4.0
171.11702	31.0
173.13280	25.1
175.11198	8.5
175.14822	11.3
179.08563	15.3
180.09343	6.6
181.10168	20.2
181.12247	5.1
183.11687	28.8
184.12410	6.6
185.13271	16.1
187.14821	7.9
189.12817	6.6
191.14340	4.4
192.09370	6.6
193.10133	12.4
194.10919	10.6
195.11734	18.9
196.12337	4.9
197.13231	24.5
198.13858	3.8
199.14838	16.2
203.14270	7.5
206.11006	7.8
207.11720	18.3
207.13638	8.2
208.12511	7.9
209.13307	30.0
211.14873	8.8
217.15862	9.2
219.11749	7.1
220.12477	7.0
221.13306	16.9
221.15407	36.0
222.13898	5.6
223.14810	12.4
225.16359	7.6
231.11748	6.5
233.13264	5.6
233.15390	12.4
234.13896	6.5
235.14873	9.2
237.16362	9.0
240.49139	3.5
243.30595	3.4
244.12254	5.0
245.13280	8.7
247.14763	13.1
248.15895	4.6
249.16400	10.3
251.17975	6.4
257.13138	4.5
257.18878	3.8
258.14099	5.3
259.14886	8.0
261.16440	14.9
263.17929	4.6
265.19577	9.1
269.19092	4.7
269.70618	4.2
271.14819	4.5
271.20618	3.9
275.17999	5.8
283.20602	10.6
289.19617	6.0
301.19617	5.5
308.53632	3.8
315.50031	4.0
329.22412	3.9
342.18793	3.9
349.25299	6.8
401.43130	4.2
403.29916	9.0
493.61343	4.3
547.39142	8.1
565.40210	27.3
583.41412	100.0
584.41412	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	583.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08765	3.5
53.03955	4.7
55.05521	17.2
57.07074	14.5
59.05003	4.5
65.03947	4.4
67.05507	27.9
69.03429	8.5
69.07069	24.0
71.50932	7.2
77.03923	3.4
79.05495	37.5
81.07057	41.0
83.04974	7.4
83.08613	11.5
85.06551	6.7
87.04449	3.1
91.05478	56.0
93.07043	68.7
93.13779	3.0
95.04972	19.6
95.08600	40.6
97.06511	8.7
97.49802	3.5
98.98450	3.8
103.05486	6.2
105.04494	3.5
105.07032	87.6
106.42130	3.3
107.04971	4.5
107.08604	58.3
109.06530	12.5
109.10154	27.2
115.05441	4.5
117.07027	16.2
117.07740	3.3
119.08583	100.0
121.06512	4.4
121.10152	65.1
123.08064	19.2
123.11713	5.7
125.09645	4.7
128.06201	20.0
129.07004	20.7
130.07756	5.9
131.08565	44.3
133.06523	5.2
133.10133	45.1
135.08044	10.1
135.11710	16.3
137.09615	12.3
139.71089	3.0
141.06985	10.3
142.07771	32.6
143.08565	49.7
144.09312	8.0
145.10130	55.7
147.08023	21.5
147.11687	13.9
149.09631	11.9
149.13335	6.1
151.07542	16.7
153.06995	7.4
154.07738	4.8
155.01039	7.4
155.08559	18.5
156.09326	25.2
157.10139	60.6
158.10858	12.4
159.08061	7.5
159.11707	33.3
161.09618	8.1
161.13287	9.0
163.11185	10.1
165.06975	10.8
165.09129	35.5
166.07661	4.8
167.08601	13.7
167.10670	17.4
168.09409	7.9
169.10106	34.8
170.10886	11.2
171.11665	35.1
172.12523	3.5
173.09750	5.6
173.13268	26.9
175.11244	4.6
175.14836	10.5
177.12816	5.3
179.08546	16.0
180.09364	11.6
181.10114	20.0
181.12234	9.4
182.10928	8.9
183.11716	40.3
184.12488	6.6
185.13271	21.0
187.14891	9.2
189.12854	5.6
191.14294	9.8
193.10127	17.8
194.10942	13.1
195.11691	25.9
196.12489	8.3
197.13272	26.8
199.11130	4.1
199.14819	14.7
203.14328	14.7
206.10936	6.3
207.11716	21.7
207.13765	10.7
208.12425	8.6
209.13266	37.8
211.11218	4.2
211.14873	14.7
213.12854	5.4
215.14232	4.1
217.15901	8.7
218.10977	4.8
219.11734	11.9
220.12500	9.0
221.13232	19.6
221.15390	60.6
222.13914	4.5
223.14801	14.5
225.16470	7.3
231.11639	10.5
232.12494	6.0
233.13268	11.3
233.15367	8.4
235.14796	13.2
236.15681	4.2
237.16411	7.7
239.17920	4.5
244.12445	3.7
245.13268	8.4
246.13873	5.2
247.14857	13.0
249.16447	8.7
251.17970	7.2
257.13141	3.7
257.18997	5.3
258.13931	4.3
259.14883	8.2
260.15680	6.7
261.16382	12.6
263.17960	7.1
265.19595	9.9
269.19070	5.1
273.16333	7.9
275.17825	15.7
277.19510	5.2
279.17215	3.3
279.21097	3.4
282.16489	3.1
283.20605	14.2
285.16406	4.2
287.17874	5.3
289.19559	5.7
295.20602	5.2
297.22260	5.0
303.21387	3.8
307.20581	4.3
314.99210	3.1
315.21338	3.4
331.24118	6.0
341.30490	5.7
349.25226	8.4
350.50577	3.2
375.26886	4.7
403.30032	5.3
541.54218	3.2
547.39252	4.1
565.40588	26.1
583.41461	91.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	24.2
67.05482	35.7
70.83984	46.4
74.81159	13.7
79.05489	19.5
81.07051	35.0
91.05466	20.9
93.07021	33.6
95.08589	24.7
105.06993	27.0
107.08614	17.5
109.10143	23.0
109.77605	14.5
119.08555	42.4
121.10143	32.0
123.08095	22.6
131.08595	16.4
145.10114	26.4
156.09276	18.3
157.10152	26.4
165.09111	30.4
171.31726	14.9
195.11551	17.7
203.14337	20.8
211.14984	17.4
221.15372	47.7
312.33603	15.2
493.38751	19.4
565.39941	23.0
583.41669	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.3
55.01863	4.8
55.05510	30.1
57.03425	10.3
59.04982	3.9
62.93857	1.8
63.87560	2.0
65.03928	3.3
67.05504	78.5
69.03430	20.9
69.07054	9.1
70.65209	7.5
71.01345	1.9
71.04988	9.9
73.02905	2.3
79.05486	30.2
81.03414	100.0
81.07056	30.9
82.40179	2.2
83.04980	17.0
83.08619	20.1
85.02893	17.9
85.06570	3.4
91.05478	34.9
93.07057	22.7
93.45105	2.5
95.04987	25.7
95.08590	14.9
97.02888	11.6
97.06551	5.3
97.10155	12.4
97.67010	2.2
99.04452	2.9
99.08112	2.9
105.07032	22.0
107.04958	6.5
107.08588	14.1
109.02892	16.6
109.06551	4.2
109.10152	52.0
111.04447	16.3
111.08110	8.1
117.06992	4.5
119.08600	18.0
121.06551	2.4
121.10156	7.6
123.04450	8.2
123.08109	2.7
125.09620	12.4
127.03904	14.5
129.07001	8.9
131.08569	8.2
133.10123	6.8
135.08116	2.7
137.09647	4.7
143.08615	2.8
145.10144	4.4
147.04471	4.1
147.08163	2.4
147.11691	10.3
149.09631	4.6
153.05319	2.9
155.10641	2.5
157.10164	9.6
159.11679	2.4
165.12733	2.9
171.11653	2.6
173.09569	2.3
173.11787	17.4
173.13089	3.7
175.11217	8.0
181.04974	4.3
181.12296	2.9
189.11249	8.5
189.12738	2.5
193.12228	32.9
211.13295	48.4
211.15256	3.4
227.12735	5.0
229.14351	14.1
255.06390	2.4
267.15906	10.6
283.06250	4.7
299.14755	10.7
301.14566	2.7
319.15427	4.3
355.17413	10.5
373.18515	2.3
421.25995	3.6
439.26920	10.7
455.26352	3.0
486.32315	2.2
505.27884	3.0
525.11987	5.0
551.13013	3.9
553.11194	5.0
565.30389	5.5
583.16071	76.0
583.30664	54.2
584.16046	14.9
584.31604	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	583.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23317	0.6
51.86586	0.6
53.03944	1.7
53.95139	0.6
55.01880	1.3
55.05508	5.2
56.96549	0.8
57.03439	1.9
59.04991	1.0
67.05510	19.4
68.99786	0.6
69.03425	4.9
69.07063	1.6
71.04978	2.0
71.58579	0.8
74.03532	0.5
77.52328	0.5
77.54427	0.6
79.05495	5.7
81.03419	18.3
81.07051	6.3
83.04970	3.9
83.08619	4.3
85.02908	5.5
85.06551	1.0
85.08367	0.5
91.05486	5.9
93.07024	3.6
95.04979	5.4
95.08610	2.5
97.02906	2.5
97.06536	1.0
97.10190	1.9
99.04459	1.2
105.07056	4.6
107.04977	2.1
107.08598	1.8
109.02901	3.3
109.06512	1.0
109.10155	12.7
111.04431	3.9
111.08121	1.7
115.05460	0.7
117.07055	1.2
119.04963	0.7
119.08572	2.8
121.06468	1.1
121.10163	1.9
123.04425	3.6
123.11671	0.7
125.06028	0.9
125.09647	1.8
127.03908	2.6
129.05562	0.9
129.07045	1.9
131.08583	1.8
133.02866	1.5
133.10144	2.3
135.08020	0.8
137.05991	1.7
137.09642	1.0
139.03931	3.7
145.10118	1.5
147.04427	1.2
147.11728	2.2
147.92229	0.7
149.09657	1.0
151.03943	0.9
157.10150	1.7
161.06039	0.8
163.03935	1.2
163.11118	0.7
165.05594	0.8
165.12747	0.9
167.07100	1.2
173.11702	3.6
175.11259	1.7
181.04979	1.3
187.61531	0.7
189.11237	1.1
193.12230	6.3
202.71346	0.6
211.13306	8.4
212.64459	0.6
227.12730	1.2
229.14330	3.2
243.06621	1.4
249.05701	0.8
249.14937	0.7
253.05124	0.8
254.05719	0.6
267.15918	1.7
271.06052	1.1
281.04428	0.8
283.06116	0.8
285.17178	0.7
299.15012	0.8
305.04395	0.7
306.50519	0.6
327.06616	0.7
340.07404	0.6
341.08093	0.9
355.17471	1.2
357.07864	0.9
366.09033	0.7
367.09616	0.7
369.07578	1.0
385.07205	1.7
391.10083	0.8
394.08197	0.8
395.09381	0.8
397.07053	0.9
398.07916	0.8
406.08426	0.7
407.24234	1.5
409.11502	0.7
411.08704	1.0
413.06558	0.8
415.08191	1.1
419.09274	0.8
421.25830	1.1
422.08228	0.8
423.08588	1.6
427.08151	1.1
429.09427	0.9
430.10999	0.6
437.10403	2.0
438.11261	0.8
439.08075	2.7
439.26950	2.8
440.08820	1.5
448.09290	0.9
453.13580	0.9
464.09329	0.8
465.09790	1.7
467.07840	2.0
469.12976	0.8
475.07654	0.8
492.08545	1.9
493.09402	2.3
495.07217	2.2
497.12067	1.1
507.11029	1.2
509.09033	2.0
510.09229	0.9
517.09515	0.8
521.12360	0.9
522.11578	0.9
523.07123	0.9
525.11835	8.3
535.10242	1.5
537.11163	0.8
538.08905	1.2
549.12421	0.7
550.12860	1.0
551.13623	0.7
553.11377	18.4
554.11646	2.2
565.29907	1.2
567.12744	3.7
568.13647	5.4
583.16034	100.0
583.29907	10.5
584.16364	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	583.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
55.05507	9.4
57.03432	2.9
57.07065	3.6
64.05218	1.5
67.05510	21.6
68.99789	2.7
69.03422	6.6
69.07068	5.0
69.49266	4.4
69.49677	10.8
71.04980	2.0
74.96838	2.0
79.05499	11.8
81.03419	34.0
81.07051	15.4
83.04968	10.3
83.08616	7.3
85.02888	4.9
85.06549	6.5
91.05465	14.7
93.07042	9.9
95.04975	9.1
95.08615	7.4
97.02892	5.0
97.06539	1.7
97.10183	3.9
98.22804	1.6
105.07069	10.1
107.04953	2.7
107.08606	3.7
109.02864	8.3
109.06496	8.7
109.10168	6.6
111.04458	2.8
111.08113	3.1
117.07044	3.4
119.08559	8.5
121.06541	3.2
121.10149	4.2
123.04436	9.9
123.08109	4.3
125.09601	3.5
127.03902	16.5
129.07033	4.7
131.08594	4.2
133.06531	2.1
133.10168	7.7
139.03940	3.3
145.10167	1.7
147.04422	3.1
147.08118	1.8
147.11708	6.5
149.09644	3.5
151.03943	4.1
151.07510	3.2
157.10132	5.5
161.09772	1.8
163.03958	2.6
165.09097	12.6
173.09625	2.6
173.11800	4.0
175.07585	1.9
175.11246	6.7
189.05484	3.3
193.08598	23.1
193.10175	2.1
193.10516	2.6
193.12257	23.5
211.09689	37.4
211.13271	33.8
217.04976	4.3
217.08702	2.4
235.06009	3.0
235.09760	5.9
235.13350	2.5
253.10861	4.9
254.05525	2.0
255.06320	1.7
277.10916	1.9
299.09305	2.0
301.10809	2.8
301.14319	2.8
319.11752	2.5
337.16428	2.4
355.17651	2.3
429.10181	2.7
525.11768	4.9
551.13470	1.9
553.11255	6.5
567.13080	2.9
568.13477	2.7
581.51752	2.1
583.15997	100.0
583.30731	4.3
584.16644	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	583.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
69.56693	44.3
72.62770	4.4
79.05482	6.2
81.03427	8.5
83.08642	4.7
85.02912	8.8
91.05460	10.5
95.04939	8.3
98.20809	9.9
103.05450	7.1
105.07029	10.8
106.84756	5.0
107.04961	7.6
107.07723	5.1
107.08542	6.7
108.42687	5.2
112.25047	4.6
115.05444	12.0
122.03669	7.7
123.04469	10.6
125.46352	4.7
125.75294	5.5
131.04950	5.8
137.02377	6.5
137.05980	100.0
137.06999	3.6
145.06490	12.8
151.03932	17.6
151.07629	5.0
161.06001	13.4
167.07056	66.4
173.05986	11.2
175.07545	8.6
181.04984	12.9
181.06599	6.0
189.68898	5.2
190.06335	6.0
191.06935	10.4
203.07085	5.6
205.08603	12.0
207.06471	10.2
217.08539	11.2
227.06966	6.1
235.09669	17.5
269.08057	5.5
315.08719	5.4
319.60651	5.2
329.10217	14.0
351.12299	5.1
367.11618	6.2
381.13223	6.3
381.76709	5.8
385.12943	7.7
399.00006	5.2
399.14505	6.6
459.16562	28.4
547.19525	7.1
553.20258	11.4
565.20660	11.8
583.11548	42.1
583.21442	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	583.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11327	0.8
53.03937	1.7
55.01860	1.7
57.03406	0.9
65.03941	24.3
67.05500	4.4
71.03851	1.7
79.05487	3.1
81.03426	1.0
81.07054	0.8
82.04202	4.1
85.02909	2.2
89.03886	0.8
91.05471	3.2
91.81568	0.9
93.03395	4.2
94.04195	1.0
95.01324	4.2
95.04967	4.3
97.06504	1.2
103.05472	2.1
105.03444	1.0
105.07018	2.6
107.04942	3.9
108.02106	3.7
110.02908	1.1
110.03658	20.5
111.04441	35.8
111.05214	1.8
115.05457	1.2
117.07066	1.3
119.04956	1.0
119.08600	1.0
121.02866	15.8
121.06474	1.1
123.04428	2.2
125.05998	25.0
128.06183	1.1
130.04135	0.8
131.04938	1.7
133.02892	1.1
133.06491	2.4
135.04440	2.4
137.02301	1.5
137.05960	6.0
138.03117	2.2
141.05505	1.4
144.05707	1.4
145.06473	2.4
146.07179	1.1
147.04402	2.7
147.08023	1.1
149.06004	2.3
151.03905	36.3
151.04976	2.2
151.07523	2.1
153.05467	100.0
155.76039	0.8
159.08052	3.6
161.05980	6.0
163.03920	1.7
165.05489	1.4
165.06996	2.4
167.07088	9.0
167.08484	1.8
173.05974	0.9
175.07542	5.3
177.05429	1.6
178.06194	1.1
178.07788	1.1
179.07043	1.6
179.08565	2.2
181.04959	3.3
181.06468	2.1
183.08005	1.1
186.06783	1.0
187.07506	2.7
189.05495	2.6
189.06992	1.1
190.07732	1.2
191.06981	1.4
191.08563	2.1
193.08672	1.2
194.07272	1.7
195.06464	2.3
195.08066	3.3
197.09662	1.3
203.06842	1.1
204.07741	1.1
205.06546	2.1
205.08571	2.1
206.07257	1.0
207.08058	3.5
208.08803	1.5
209.09679	1.5
210.06770	2.0
211.07500	1.9
213.09067	1.0
216.07832	3.0
218.07333	1.8
219.08131	4.8
219.09914	0.9
220.08891	1.6
220.38007	0.8
221.05904	2.1
221.09515	0.9
222.06642	1.5
222.60283	0.8
223.07509	3.3
224.08345	2.6
225.09149	3.6
226.06285	2.8
226.09798	1.0
227.06975	1.4
229.08591	1.4
235.07524	3.7
236.08275	4.2
237.09077	2.6
238.06194	1.5
239.07030	6.3
239.10748	2.3
240.07773	1.7
246.70186	0.9
247.07498	1.9
247.09709	12.4
248.08334	1.3
249.05579	1.0
249.09138	1.8
251.06981	2.2
251.10669	2.5
252.07906	1.3
253.08606	12.3
254.09409	5.0
255.06192	1.1
255.10039	1.4
261.05518	1.0
263.06985	1.8
263.10968	1.2
264.07755	2.6
265.08603	4.9
266.09256	1.4
267.10217	2.9
268.10925	1.3
269.11777	5.0
275.07016	1.4
276.07745	2.0
277.08615	1.7
279.10217	2.8
281.08078	2.7
282.08890	2.6
283.09729	2.1
291.09991	1.6
293.08151	1.2
294.08817	1.1
295.09555	2.8
297.11264	10.7
299.09131	0.9
307.09631	6.9
309.11090	1.7
311.02811	0.9
311.09152	2.2
311.12689	1.0
319.09634	2.0
321.11166	1.4
323.09229	1.0
325.10703	51.9
326.11215	2.3
327.12283	2.8
329.13834	1.2
337.10663	3.1
339.12247	22.7
340.13000	1.6
341.13754	2.7
351.12299	5.1
355.12009	1.7
357.13330	49.0
369.13272	4.6
370.14008	3.9
387.14120	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.217
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67149	1.4
55.01864	2.5
58.53921	1.4
65.03938	2.8
66.04697	1.6
67.05494	1.9
69.03417	2.7
69.97801	1.5
71.58680	2.6
78.04710	4.1
79.05482	5.7
81.03409	11.1
81.07050	5.0
83.02147	1.5
85.02887	3.7
91.05471	8.0
93.07047	2.3
94.04165	4.5
95.04964	3.6
97.02863	1.9
97.06506	1.6
101.42185	1.4
103.05456	5.1
105.07015	9.0
107.04950	12.3
109.02895	1.6
112.07607	1.5
115.05450	13.6
117.07008	10.4
119.08537	1.7
121.06481	1.6
122.03631	11.2
123.04469	7.1
124.05167	4.4
125.05987	2.7
127.03943	2.4
129.07005	3.5
131.04929	6.2
133.02905	2.6
133.06448	7.4
136.41644	1.5
137.05974	100.0
143.04871	1.4
144.05661	3.9
145.06477	18.9
146.03526	1.8
147.04413	2.5
147.08020	3.9
149.05972	4.3
151.03922	16.8
151.07567	3.1
152.04688	2.1
153.05482	3.3
155.06035	3.0
156.05670	2.2
157.06447	2.8
159.08083	3.1
160.05354	2.0
161.06003	12.6
161.09569	2.4
163.07504	2.4
167.07037	93.8
173.06020	10.6
175.07509	5.5
177.05446	4.3
179.06984	4.6
181.05014	12.1
181.06433	2.0
181.08604	4.3
183.08018	2.7
185.06058	1.6
187.07533	4.8
190.06201	3.2
191.07037	6.3
192.04120	2.2
192.07777	1.7
193.08606	7.4
195.06546	3.5
197.05919	3.7
201.05365	1.9
203.07039	2.0
205.08557	15.2
207.06496	8.6
207.10091	3.4
211.07550	3.1
217.08606	9.6
219.08167	2.0
219.10124	3.8
221.08061	4.6
223.07532	2.1
223.09636	3.4
225.05527	2.1
226.06097	1.9
231.08131	1.9
233.06027	2.2
233.08054	8.4
234.06564	2.2
235.07578	1.8
235.09665	20.4
239.07118	1.7
240.07919	1.8
241.08554	7.5
245.08052	2.0
247.07549	2.8
247.09875	2.5
248.08348	1.9
249.05574	2.0
251.07068	3.5
257.07938	3.6
260.08389	1.7
261.09189	1.9
263.07202	1.9
264.07803	1.9
268.07281	2.7
269.08118	6.0
271.05893	3.2
276.07751	2.4
283.09552	2.1
292.07346	2.1
295.09769	3.1
297.07642	2.5
301.10703	6.6
306.08847	2.0
307.09515	2.5
314.07935	4.1
315.12515	1.7
321.11401	3.1
323.09000	1.9
327.12064	2.0
329.10187	16.8
331.11682	4.2
335.09256	2.2
337.10645	2.8
339.12228	3.1
343.11899	1.7
351.12201	5.6
355.11670	3.6
363.12241	4.1
365.14081	2.0
367.11679	3.0
369.13306	4.4
379.11761	2.4
381.13239	5.3
383.14899	3.6
385.12677	4.7
395.15005	2.8
397.12759	2.1
399.14276	3.2
411.14328	4.3
423.14194	1.8
429.15311	2.0
441.15109	4.1
459.16428	24.8
507.10413	1.8
524.48468	1.6
535.19397	4.5
547.19501	6.8
553.20789	9.0
565.20667	20.2
583.12640	3.3
583.21240	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	583.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.5
55.05502	0.6
67.05504	1.6
69.03403	0.4
69.27346	4.0
79.05492	1.2
81.03407	1.3
81.07036	1.0
83.08627	0.4
91.05484	1.1
93.07011	0.6
95.04990	0.5
100.29885	0.4
105.07040	0.5
107.04957	0.7
107.08575	0.6
109.02859	0.3
109.10168	0.8
111.04454	0.4
119.08636	0.9
121.10128	0.5
123.04427	0.9
125.06007	0.4
127.03922	0.4
133.02867	1.0
137.02364	0.4
139.03891	1.1
147.04449	0.6
163.03941	1.2
176.04735	0.6
176.13925	0.4
177.05388	0.9
179.03337	0.4
181.04953	0.4
181.06479	0.5
197.05969	0.9
209.06139	0.5
211.13234	0.5
213.05455	0.6
229.05052	0.6
237.05519	0.7
253.04866	1.1
255.06520	0.5
263.07068	0.6
265.04990	0.6
269.04639	0.7
271.05905	0.9
281.04398	0.5
283.06094	0.9
289.08844	0.4
290.05707	0.7
300.07565	0.4
301.14706	0.4
302.05557	0.4
313.08151	0.5
316.07690	0.6
318.05228	0.5
327.06161	0.5
328.07288	0.4
329.08066	0.9
340.07327	0.6
341.08081	0.5
342.09265	0.4
343.06058	0.8
344.06787	0.8
345.07645	0.8
355.06104	0.4
359.09329	0.5
368.06650	0.5
369.07599	0.6
370.08224	0.6
384.06247	0.4
385.06961	0.8
386.07803	0.4
387.08868	1.2
392.10074	0.5
394.08481	0.6
395.09213	0.9
397.06958	0.6
399.08881	0.7
402.11203	0.6
403.08969	0.5
407.08942	0.5
411.08676	0.8
413.06714	0.6
414.07397	0.6
415.08173	0.5
416.09583	0.5
419.09299	0.6
423.08655	0.7
425.10675	0.5
427.08203	1.1
429.09787	2.3
431.11188	0.5
435.08667	0.7
436.09436	0.7
437.10165	1.1
439.08063	1.2
444.09076	0.5
447.08676	0.8
453.09604	1.1
461.10379	0.8
464.09192	0.6
465.09894	0.7
467.07748	1.2
469.13245	0.7
475.07944	0.9
479.11441	0.6
481.08865	0.5
482.09738	0.8
489.09537	0.5
492.08188	0.8
493.09442	1.3
497.12305	0.7
501.09857	1.0
503.07608	0.6
507.11224	1.9
509.08578	0.9
510.09427	1.1
517.09375	0.5
519.10657	1.2
520.07275	0.5
521.07666	0.5
522.13208	0.8
525.11823	6.3
535.10327	1.1
536.10522	0.6
537.11597	1.1
538.08673	0.9
539.13708	0.5
550.12329	1.8
551.13342	1.7
553.11261	10.0
567.12872	2.3
568.13641	4.6
583.15961	100.0
584.16119	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	583.1596
Annotation	2,3-Dihydrosciadopitysin
Peak:m/z	Relative Intensity
53.37925	0.5
55.01854	0.8
55.05499	1.3
56.96550	0.9
67.05500	3.1
69.07045	0.8
69.49274	4.0
69.49686	1.5
69.56020	0.6
79.05477	1.8
81.03388	3.1
81.07063	2.7
83.08620	0.7
91.05467	2.3
93.07045	1.3
95.04945	1.3
95.08601	0.7
97.02876	1.2
97.10152	0.7
98.21505	0.7
105.07010	1.0
107.04951	1.2
107.08618	0.8
109.02840	0.6
109.10151	1.3
110.33983	0.6
119.08609	1.6
122.72424	0.5
123.04430	2.0
127.03893	1.4
129.06946	0.5
131.08589	0.8
133.02867	0.7
133.10175	1.0
139.03883	0.7
142.01086	0.5
147.04385	1.4
147.11731	0.9
151.03995	0.8
153.05348	0.7
163.03902	0.7
165.09050	0.9
181.04984	1.2
183.02524	0.6
193.08580	1.4
193.12292	1.8
195.08095	0.6
209.13657	0.6
211.09695	2.7
211.13307	2.2
237.05595	0.7
244.04901	0.7
249.05365	0.8
253.04936	0.7
283.06082	0.9
285.07520	1.0
287.06995	1.2
313.08551	0.8
329.94565	0.6
333.17255	1.3
340.07251	0.8
341.07956	0.7
343.05890	0.7
345.07932	0.8
350.17157	0.6
351.18689	0.7
357.07779	1.1
359.09564	0.8
373.06894	0.9
377.07837	0.6
386.07806	0.8
387.08545	1.8
388.09607	1.2
389.10443	0.8
391.09677	0.7
402.11063	1.4
403.07947	0.9
408.09869	1.3
409.10852	1.0
411.08871	0.9
429.09845	0.7
433.11282	0.7
435.08774	1.3
436.09930	0.9
437.10831	0.7
447.08154	1.1
453.09650	0.8
459.21140	0.7
461.10315	1.1
464.09235	0.7
467.07562	0.8
479.12167	0.8
482.10190	0.6
489.09821	1.5
490.10312	0.8
493.09424	1.7
507.10626	2.6
517.09332	0.8
518.09808	0.7
521.08722	0.9
522.13123	2.5
523.14105	0.7
525.11829	6.4
533.12213	1.1
534.09363	0.8
535.10352	3.1
536.11255	1.3
539.13519	1.2
549.11761	1.1
550.12512	2.3
551.13452	4.5
553.11169	5.6
567.12878	2.6
568.13538	5.6
583.15973	100.0
584.16602	6.0
603.46527	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1596
Annotation	2,3-Dihydrosciadopitysin
Peak:m/z	Relative Intensity
53.03941	0.6
55.05508	1.2
65.19249	0.4
67.05502	4.1
69.03418	0.5
69.78738	0.9
69.79134	2.4
71.04993	0.4
73.80951	0.4
79.05505	1.1
81.03436	2.4
81.07056	1.3
83.04982	0.6
83.08637	0.7
85.02899	0.7
86.99498	0.4
91.05502	1.4
93.07030	0.8
95.04959	0.9
95.08601	0.4
97.02920	0.7
98.20840	0.5
105.07076	1.0
107.04935	0.7
107.08620	0.6
109.02884	0.9
109.10142	2.3
111.04510	0.6
119.08569	0.9
123.04465	1.5
125.09654	0.5
127.03906	0.4
129.07002	0.5
131.04944	0.5
131.08606	0.5
133.02837	2.1
133.10149	0.8
139.03912	0.8
147.04436	0.8
147.11688	0.6
149.06146	0.4
153.01845	0.6
153.05508	0.5
162.03105	0.5
163.03876	2.0
164.04675	0.6
166.02695	0.5
169.06538	0.5
173.11761	1.1
177.05490	0.5
179.03415	0.4
181.04991	1.0
184.05220	0.5
193.12270	0.7
197.05994	0.8
200.04781	0.5
209.06197	0.5
211.13332	1.3
212.04645	2.2
213.05528	1.1
225.05463	2.6
227.03462	0.7
227.12781	0.5
229.14452	0.6
236.80333	0.4
237.05525	1.3
238.06339	0.7
249.05498	0.7
250.06277	0.9
251.07227	0.5
253.05081	0.5
255.06529	1.3
259.07559	0.9
262.06381	0.8
263.07147	0.6
269.12875	0.8
274.06378	0.5
283.06104	0.7
285.07700	0.6
287.07196	1.8
288.07779	0.7
289.08328	0.4
299.09711	0.6
301.08618	0.6
303.06757	0.7
305.08047	0.5
313.08600	0.6
314.09558	0.5
315.06500	1.7
316.07092	0.6
319.06229	0.5
327.06720	0.7
328.02982	0.5
331.06107	0.9
332.06723	1.0
333.07864	0.5
339.06296	0.8
343.05988	2.5
343.09576	0.5
344.06882	1.2
345.07657	1.3
347.05496	1.8
347.09323	1.1
348.06445	0.6
356.06732	0.7
357.07654	1.5
358.08234	0.7
359.09024	0.7
360.06335	1.7
361.07025	2.5
362.07800	2.8
365.07953	0.6
369.07571	1.1
370.08688	0.5
372.06433	0.6
373.07092	0.7
374.07892	0.7
375.08496	3.1
376.09448	2.8
380.10199	0.7
382.08063	0.5
383.09271	0.6
386.07828	0.9
387.08691	0.9
388.09552	1.2
389.10086	0.4
391.09784	0.5
401.10553	0.6
402.11133	0.8
411.08603	0.7
419.08997	0.8
421.06778	0.5
422.07831	0.6
425.10358	0.5
435.08658	0.6
437.10052	0.9
439.07941	1.0
439.27121	0.5
447.08340	0.4
450.07507	0.5
453.09528	0.6
465.09808	1.4
467.07965	0.5
469.12823	0.8
475.08160	0.5
479.11594	0.6
482.09924	1.1
489.09323	0.7
490.57104	0.4
492.08478	0.8
493.09372	1.6
495.07147	0.5
497.12521	1.3
507.10629	1.8
510.09314	1.2
520.08160	0.7
525.11798	5.8
533.12341	0.6
535.10388	1.7
536.11182	0.8
538.09332	1.2
539.13318	0.6
540.13812	0.8
550.12616	1.8
551.13495	2.4
553.11407	4.9
564.90417	0.5
567.13080	1.2
568.13641	2.6
583.15997	100.0
583.31085	2.8
584.15894	3.2
614.62805	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61986	1.6
55.05511	18.3
56.29203	1.5
57.03430	6.7
57.07071	7.5
64.31969	2.0
67.05511	23.4
69.07066	23.6
71.08630	1.9
71.59029	2.6
79.05490	12.4
81.03415	9.0
81.07060	22.0
83.08623	16.7
93.07045	13.2
95.08601	24.6
97.06538	3.6
97.10179	14.5
98.98467	99.0
99.04453	2.4
105.06997	2.0
107.08595	6.8
109.02879	4.7
109.10123	7.8
111.08086	3.8
111.11736	3.1
115.77682	1.5
116.99480	2.1
121.10132	13.0
123.11735	4.6
135.11700	10.6
137.13257	2.3
142.22310	1.8
148.34726	1.5
149.13240	2.8
151.14873	1.7
155.01042	100.0
165.84065	1.5
173.73434	1.7
196.03815	1.7
247.24265	6.5
248.24483	1.7
265.25253	15.6
272.77307	1.5
299.05307	1.8
317.06299	7.8
324.18369	1.7
339.28952	74.3
409.29593	2.2
427.30438	4.1
563.29626	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	583.1598
Annotation	2,3-Dihydroochnaflavone 7,4',7'''-O-trimethyl ether
Peak:m/z	Relative Intensity
55.05499	1.5
57.07049	0.5
67.05509	3.5
68.99803	0.7
69.03422	1.4
70.16370	0.9
70.16790	1.7
74.58018	0.5
79.05493	1.7
81.03413	2.3
81.07059	2.0
82.81612	0.4
83.04996	0.8
83.08604	0.6
84.72227	0.5
85.02923	1.0
91.05477	1.6
93.07027	1.6
95.04987	1.7
95.08625	0.8
97.02897	1.0
98.21431	0.6
98.84034	0.5
105.07019	1.3
107.04983	0.6
107.08559	0.5
109.02888	0.7
109.10146	1.7
117.07055	0.5
119.04932	0.7
119.08597	1.5
121.06505	0.7
123.04433	2.1
127.03926	0.7
129.05063	0.5
131.08557	0.7
133.02893	1.1
137.02298	0.7
137.06032	1.2
139.03856	1.2
141.07011	0.5
147.04399	0.7
147.11635	0.7
153.05493	0.7
153.41199	0.6
163.03879	1.1
165.05484	0.7
165.06990	0.6
167.07079	0.6
173.11681	0.7
177.05510	1.1
181.04968	0.7
197.05901	0.9
197.86392	0.5
209.06071	0.6
211.13330	0.8
213.05457	0.7
225.05484	0.6
229.14340	0.8
234.06567	0.5
237.05428	0.9
240.06372	0.4
253.04991	0.7
254.05791	0.5
257.04401	0.8
260.07913	0.6
267.06509	0.6
269.04321	1.0
277.05185	0.7
283.06070	0.6
285.31876	0.5
287.06989	0.9
313.08154	0.5
315.06558	0.7
335.11130	0.6
340.07333	0.7
341.08029	1.2
343.05954	0.7
344.06705	0.8
345.07346	0.5
349.08267	0.6
351.06525	0.5
356.06735	0.6
357.07587	1.1
367.06097	0.7
368.06882	1.2
369.07806	1.1
370.08145	0.6
371.09583	0.7
373.06970	0.6
385.07172	1.0
387.08862	1.0
391.09622	0.7
395.08960	0.7
397.06802	1.0
411.08798	1.8
412.10107	0.6
413.06598	0.8
414.07483	1.5
415.08325	1.1
416.08487	0.7
419.08963	1.0
423.08838	0.8
425.10547	0.7
427.07980	1.0
429.09775	3.8
435.08841	0.7
436.09616	1.0
437.10309	1.6
439.08200	1.0
446.08218	0.6
453.09674	1.9
467.08206	0.8
469.13025	0.8
481.08942	1.1
493.08929	1.0
497.11917	1.1
501.09036	0.7
505.12384	0.7
507.10809	2.0
509.08557	1.0
517.09363	0.6
519.10760	1.2
521.07513	0.7
522.13013	2.0
524.11249	0.7
525.11823	6.6
535.10236	2.5
537.11749	1.9
538.09082	0.9
539.13519	0.7
549.11938	0.8
550.12433	1.5
551.13049	1.7
553.11487	6.0
567.12695	3.2
568.13605	6.0
583.15979	100.0
584.16235	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	581.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	0.6
70.72381	0.3
71.58944	0.5
78.04706	2.1
79.05492	1.8
81.03412	0.5
81.07044	0.9
82.88760	0.3
85.02851	0.4
91.05457	1.2
93.07024	0.9
95.04960	1.3
95.08594	0.8
103.05443	1.1
105.07034	1.7
105.87496	0.3
106.04170	0.9
106.85511	0.3
107.04963	2.6
107.08588	0.6
109.10136	0.5
110.26089	0.3
115.05447	0.5
117.06948	0.4
119.04938	0.3
119.08562	0.6
121.06490	1.4
121.10120	0.5
123.04418	5.0
124.05210	2.2
128.06252	0.7
129.07014	0.7
131.04927	1.0
132.05721	0.3
133.06461	1.5
135.11671	0.3
137.05957	1.1
147.04388	0.5
149.05969	1.1
151.03885	1.4
152.04669	1.4
153.05368	0.7
159.08028	0.9
161.05968	1.4
167.07033	100.0
168.07365	1.6
175.07556	2.2
175.14870	0.4
177.05489	0.4
178.21455	0.4
179.06934	0.8
181.04915	0.4
181.08591	3.2
187.07539	2.7
189.09093	0.5
191.07056	1.3
193.08577	3.1
199.07571	1.2
203.08540	0.5
205.08485	0.3
206.07166	0.4
211.09659	2.0
218.07217	0.8
219.08127	0.6
221.09659	0.4
233.09552	0.4
234.06851	0.5
249.09073	0.5
253.61017	0.4
260.08368	0.4
261.09146	0.8
263.07025	0.5
277.08615	0.5
281.11765	0.9
289.08591	0.7
294.08997	0.4
309.11169	1.1
321.11206	1.6
322.11588	0.5
326.11288	0.4
338.11453	0.4
341.13895	3.6
352.12778	0.6
353.13803	4.3
388.60770	0.4
581.10333	0.5
581.37628	0.7
605.45526	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16205	1.2
53.03941	3.1
55.01866	1.8
65.03931	1.3
69.38977	11.4
79.05484	8.7
79.12253	1.2
81.03418	36.0
85.02927	3.0
91.05480	7.3
93.07048	1.6
95.04945	7.2
95.31464	1.2
102.59981	1.1
103.05485	5.5
105.07025	4.2
105.97338	1.2
107.04957	10.3
108.05800	1.2
109.02885	1.4
109.06501	1.2
110.03699	1.7
111.04432	2.5
113.06024	1.3
115.05439	7.2
117.07004	9.1
119.04919	2.0
121.06509	2.5
123.04427	7.7
124.05224	3.9
125.05955	2.7
128.06224	2.8
129.07010	5.3
131.04935	8.4
131.08577	4.9
132.05711	2.1
133.02866	1.9
133.06493	6.0
135.04361	1.5
136.05327	1.4
137.02347	2.1
137.06013	5.1
139.07587	1.7
140.04681	1.4
141.06990	2.3
142.07799	1.3
143.04977	2.6
144.05737	4.7
145.06485	13.4
147.04411	3.3
148.05241	2.2
151.03886	16.7
151.07542	13.5
152.04749	3.6
153.05487	7.0
156.05724	4.5
157.06496	4.5
158.07361	1.9
159.04225	6.8
159.08063	9.2
160.05209	12.2
161.06009	7.0
163.03896	2.6
163.07570	5.0
165.05496	3.1
166.06294	5.4
167.07043	100.0
172.05313	1.9
173.05974	16.5
174.06767	4.0
175.07541	23.7
177.05518	2.2
177.09067	3.7
179.03450	3.7
179.07076	4.0
181.04977	21.4
181.06476	2.0
181.08624	2.9
183.06589	2.8
186.06813	1.7
187.07568	13.3
188.04712	2.2
188.08357	4.0
189.05486	4.0
189.09096	4.7
190.06265	10.8
191.07036	24.0
193.08620	4.2
195.06572	3.8
197.08144	1.5
198.06802	3.6
199.07547	3.0
201.05377	3.1
202.06253	2.8
203.03415	1.8
203.07018	33.2
203.08749	2.3
204.07793	4.0
205.08592	25.3
205.10298	2.1
207.06558	3.1
207.10182	1.4
209.08076	11.4
215.07019	6.6
216.07825	3.4
217.08600	20.3
218.09392	2.4
219.10159	7.4
220.07266	2.4
229.08627	3.2
233.07997	18.7
235.07632	2.4
235.09724	8.5
241.08635	6.1
241.10707	2.9
247.07431	2.2
247.09685	42.8
255.08618	10.5
259.09787	1.8
261.07355	7.9
263.06921	1.9
263.09348	4.8
264.07968	1.4
265.10889	2.2
269.08191	4.4
270.09265	1.3
271.09689	2.6
277.08276	1.5
277.10901	8.9
279.06409	1.5
279.12521	1.7
285.07455	1.8
286.08411	3.4
289.10876	2.8
291.12640	3.2
293.10403	11.7
295.09494	1.7
297.07562	1.5
299.09219	2.7
300.09927	1.6
301.10675	3.0
305.10269	5.9
306.08914	3.0
307.09238	2.4
307.12140	2.6
309.11133	2.1
310.08743	1.3
313.07278	1.5
314.11600	1.9
315.08578	2.8
316.05719	1.7
321.11197	1.9
329.10205	16.1
330.11136	2.3
331.08231	4.4
332.08484	4.5
333.09320	10.1
335.11560	3.7
337.10794	3.8
338.11459	2.3
339.12357	2.1
342.10971	1.6
349.10916	3.9
351.12537	3.6
353.12570	2.9
357.13391	1.7
366.15259	1.5
367.11765	2.7
369.13419	5.6
371.15192	2.0
372.12128	2.7
381.13376	7.1
382.14136	4.3
383.14450	1.5
385.12952	3.5
393.13379	3.4
399.14587	4.5
411.14316	2.2
413.16040	5.5
417.15894	1.6
418.12610	9.7
425.04376	1.5
425.15881	7.1
427.46753	1.4
434.59521	1.5
439.14221	2.4
443.17047	6.5
446.15674	2.0
459.16547	2.4
471.16571	8.6
489.17404	8.9
492.16168	7.1
505.16937	1.6
545.20367	4.2
563.20972	5.2
581.23645	49.7
582.24060	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.1
55.01869	8.5
58.65567	1.2
65.03611	1.9
65.03943	22.7
67.05502	3.2
71.58060	1.6
71.58447	1.7
72.31714	1.3
79.05486	3.5
82.04194	2.9
85.02907	2.3
90.94680	1.6
91.05463	2.6
93.03401	4.4
95.01335	3.7
95.04971	4.8
103.05482	1.2
107.04960	5.8
108.02074	3.7
110.03644	19.4
111.03694	2.5
111.04430	26.0
115.05476	2.6
119.04989	1.9
121.02866	17.8
121.03767	1.9
121.06527	1.9
121.10193	1.4
121.83689	1.2
123.04450	3.9
125.05989	24.6
131.04938	2.8
133.02835	1.7
135.04382	4.6
137.02385	1.3
137.05940	3.6
138.03119	2.2
141.05432	1.8
143.88971	1.3
145.06488	2.4
149.05974	1.4
151.03906	50.5
151.05029	5.0
153.05464	90.7
154.05702	1.6
160.05156	1.8
161.05977	1.9
162.03175	1.4
163.03922	2.8
165.05545	1.5
165.07057	4.7
167.07065	5.5
173.05952	3.2
174.06723	1.3
175.07559	2.3
177.05441	3.1
177.06932	1.4
178.06233	4.6
178.07816	3.6
179.08578	3.8
181.04945	3.8
181.06516	5.6
189.06964	3.5
190.07809	2.8
191.08574	1.7
193.06433	1.6
194.07286	3.6
195.06461	3.3
195.08083	4.0
196.07306	2.1
196.08980	1.8
198.06508	1.3
201.05452	3.5
202.06232	2.2
203.07037	2.2
205.06477	3.4
206.07317	6.6
207.08078	6.7
208.08939	1.9
209.06009	3.3
211.07530	1.6
215.07053	1.9
218.07368	3.4
219.08031	2.9
221.06030	2.3
221.09503	1.8
223.07545	5.7
224.08327	6.9
233.06004	1.5
234.06700	6.3
235.07506	8.3
236.08319	5.0
237.08974	7.8
239.07036	1.8
244.94482	1.2
245.08087	13.2
247.07520	2.0
249.09109	5.3
251.06961	3.9
252.07846	25.6
253.08673	3.6
262.06216	2.1
263.07040	4.4
264.07883	5.4
265.08618	5.9
266.09409	3.0
267.10129	11.3
269.08096	1.8
277.05411	1.4
277.08661	4.6
279.06512	3.3
279.09888	1.6
280.07312	6.0
281.08142	6.9
291.06476	2.6
292.07376	3.5
293.08112	5.1
295.09680	19.9
296.10382	2.6
297.07721	2.1
297.10895	1.5
299.09058	2.8
307.09616	3.3
308.06912	1.5
309.07526	2.4
311.09399	1.7
323.09131	84.5
324.09857	3.6
325.10690	2.8
327.12369	3.0
335.09561	2.8
337.10599	3.3
339.12366	3.0
353.10217	3.7
355.11743	100.0
356.12317	1.7
367.11679	10.2
368.12476	1.5
385.12723	3.4
581.10907	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	581.186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.4
53.03949	0.7
55.01863	1.3
57.03430	0.7
62.44757	0.3
69.03411	0.8
69.98240	1.4
73.02886	0.3
75.54985	0.3
79.05493	1.1
81.03408	1.1
82.23553	0.4
85.02911	2.6
91.05506	0.3
95.04975	1.8
97.02895	1.2
97.23212	0.3
97.23791	0.3
103.03964	0.6
105.04517	0.3
107.04952	100.0
108.05265	0.8
109.02883	0.9
115.05401	0.5
119.04915	0.5
121.02859	2.1
121.06495	0.7
123.04414	0.8
124.43532	0.3
128.71587	0.2
129.07016	0.4
131.04939	1.1
133.06502	0.5
135.04431	1.0
139.03882	0.8
145.02832	0.3
145.06482	0.8
147.04385	0.8
149.05988	1.1
151.03908	1.0
157.06471	0.4
158.14821	0.3
159.04401	0.4
159.08087	0.3
161.05962	0.7
163.03864	1.9
165.05627	0.4
165.06958	0.3
171.04369	0.7
173.05998	1.0
175.03925	1.8
177.05508	1.5
181.05016	2.0
183.08124	0.3
185.05966	0.8
187.03906	1.6
187.07495	0.5
189.05482	1.1
191.03419	0.8
191.07104	0.3
193.04982	2.7
197.06046	0.4
199.03877	0.7
199.07477	0.4
201.05461	1.5
203.03325	0.8
203.07095	0.7
205.04936	5.2
213.05482	1.7
215.03377	0.4
215.07118	0.6
217.04982	4.4
219.02924	0.8
219.06473	1.8
221.04491	1.2
223.05959	1.6
225.05519	1.0
227.06993	0.8
228.50624	0.3
229.04955	2.4
231.06590	1.9
233.04485	0.8
235.05878	1.7
237.05464	0.6
241.04951	1.3
243.06454	1.5
245.04427	0.6
245.07961	0.4
247.05997	6.0
251.07147	0.5
253.05016	1.1
255.06552	1.2
257.04419	0.7
257.08060	0.5
259.05988	6.5
265.04886	0.4
267.06503	0.4
269.04465	0.5
271.06027	3.5
273.04544	0.3
273.07648	1.2
275.05313	0.4
277.07025	1.0
279.06546	0.8
283.05960	2.1
285.07501	1.8
287.05518	2.5
287.09067	1.2
289.06949	2.9
293.08075	0.4
295.05939	0.8
297.07510	1.4
299.05554	0.6
299.09192	1.8
301.07001	4.0
309.07672	0.4
311.09146	1.9
313.07040	3.8
317.10062	0.6
319.08127	0.5
323.09180	0.7
325.06982	2.7
327.08655	0.7
329.10168	2.8
335.09000	0.6
337.06992	0.6
339.08273	0.4
341.10297	2.2
343.08090	1.2
347.09103	0.4
353.10233	6.0
355.08020	0.9
359.09229	0.6
361.09100	0.5
365.10248	4.1
377.10156	1.9
383.11182	4.1
385.09161	0.7
385.58725	0.3
389.10074	1.4
393.09604	0.6
395.11264	9.1
401.11658	0.4
403.11047	0.6
407.11264	6.8
411.10590	0.4
413.12378	3.3
419.11166	7.1
425.12323	3.0
429.11826	0.5
431.13397	10.9
437.12177	0.9
443.13535	2.1
449.12289	6.7
461.12299	4.5
467.13364	4.0
473.12515	1.9
479.13336	4.7
485.14572	2.4
491.13260	2.2
497.14374	6.3
509.14304	3.0
527.15369	2.9
545.16553	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.15
Annotation	Kaempferol 3-apiosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
50.81850	0.5
54.16024	0.5
55.01861	0.7
57.03427	3.3
67.03964	0.5
68.99785	0.8
69.03425	8.0
69.26956	0.4
70.56458	1.8
81.03403	1.5
85.02902	8.0
87.04474	3.7
95.04958	0.7
97.02899	5.4
105.03379	0.6
107.04951	18.2
109.02876	1.1
111.00834	0.7
115.03917	5.0
121.02874	3.4
127.03959	0.8
131.04988	0.8
133.02792	0.6
133.04958	3.9
137.02386	1.0
137.05969	0.7
145.04901	0.9
147.04352	0.8
151.03902	0.6
153.01837	4.2
163.03873	0.5
165.01872	1.3
167.07021	1.3
183.02907	1.1
185.05997	0.8
193.04959	0.6
197.39975	0.6
201.05258	0.5
205.04997	1.3
213.05475	1.5
217.05011	1.1
229.04913	0.6
231.06438	1.4
235.05972	0.9
237.18080	0.5
241.04886	1.1
247.06024	1.6
258.05228	0.6
259.06110	1.8
271.05893	1.0
273.04263	0.5
287.05493	100.0
288.05841	2.2
299.05573	1.6
301.07037	0.7
313.07126	0.9
318.03760	0.8
325.06833	0.9
329.06506	1.9
329.10019	0.6
333.06116	3.5
353.10159	1.3
365.10236	0.7
383.11661	0.6
395.11343	1.7
407.11136	1.1
413.12344	0.9
419.10992	1.3
425.12231	0.7
431.13113	1.0
449.11603	1.8
461.12329	0.8
479.12921	0.7
491.13461	0.8
497.14410	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.01856	2.2
55.05510	0.8
55.31376	0.6
57.03419	1.1
65.03913	1.0
66.04721	0.8
67.05492	2.1
68.40999	0.6
68.99791	3.5
69.03426	4.5
69.51793	1.6
69.52190	5.1
71.04993	1.9
79.05496	9.3
81.03417	21.6
81.07046	1.8
83.04986	4.8
85.02900	6.9
85.06523	0.9
87.00819	3.3
91.05489	5.1
93.07032	1.1
94.04160	1.3
95.04964	7.2
97.02894	4.5
99.04485	1.7
103.05458	10.1
104.78589	0.7
105.01854	1.5
105.07039	1.6
107.04954	22.3
107.08597	0.7
109.02877	5.0
109.06491	1.6
113.06026	4.1
114.08366	0.7
114.88210	0.7
115.05444	2.0
117.07031	0.7
119.04932	2.8
119.08543	0.9
121.06512	1.5
122.03646	2.4
123.04429	34.0
124.05225	3.8
125.05977	3.7
127.03917	5.0
129.07021	1.0
129.74348	0.7
131.04918	15.5
133.02858	1.2
133.06482	3.1
133.10107	1.1
135.04449	1.1
137.05974	19.6
139.03906	2.2
139.07503	1.3
140.04691	0.8
145.04938	1.6
145.06467	1.2
147.04408	4.8
147.07961	0.9
149.02354	1.9
149.06003	2.6
151.03903	82.5
151.07495	5.4
152.04619	2.3
153.01833	5.0
153.05493	0.8
154.06241	1.4
155.07016	1.2
159.02896	2.3
161.06015	3.8
163.03851	4.0
163.07545	15.1
164.04672	0.7
165.05490	2.6
167.07042	100.0
168.07361	1.5
173.05942	1.5
175.03888	1.1
175.07562	1.2
177.05464	0.9
179.03400	20.8
179.07022	7.6
180.07785	2.5
181.04964	6.2
183.06516	1.2
189.05429	0.9
189.09071	1.0
191.07002	3.8
193.08559	1.7
203.03375	1.1
203.07060	0.8
205.08647	1.2
207.06499	1.0
209.08221	0.8
213.05441	1.8
217.08603	1.2
221.08197	0.9
227.07040	1.2
235.07507	0.8
235.09712	2.9
245.08121	2.5
273.07608	2.5
295.11880	1.1
305.10181	3.3
315.08661	2.1
333.09671	98.0
334.09943	0.9
357.09662	1.3
363.21979	0.8
375.10629	1.5
399.10495	0.8
419.20801	0.7
435.28946	0.9
441.11749	1.6
549.20624	1.3
577.50226	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	19.5
55.05504	30.6
55.99527	11.2
57.03435	20.2
62.21997	12.2
64.76676	11.5
67.05510	96.2
69.07068	67.2
73.35735	14.0
79.05483	64.7
81.03413	19.3
81.07053	93.4
82.06700	16.1
83.04967	12.6
83.08611	18.1
85.02898	14.8
91.05460	64.3
93.07054	62.5
95.04971	38.0
95.08587	47.6
97.06525	41.6
105.07026	51.9
107.08618	27.4
109.10166	54.1
113.60352	13.5
117.07034	25.0
119.08564	45.0
121.06484	29.7
121.10159	17.9
123.63663	12.1
125.09589	17.1
127.03926	22.0
131.08559	17.4
133.10133	31.7
145.10187	20.2
147.11739	13.6
149.09656	20.1
159.11656	16.2
171.10155	15.2
171.11647	15.0
173.11662	21.5
229.14378	44.8
273.38055	13.1
275.20059	47.2
349.23706	100.0
499.42911	14.0
580.35895	26.7
581.14209	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	581.1438
Annotation	Kayaflavone
Peak:m/z	Relative Intensity
51.69737	0.4
62.15342	0.4
64.33192	0.4
65.03951	0.5
67.05494	1.3
69.07053	1.5
70.57211	0.7
70.57590	0.9
75.55331	0.5
79.05484	1.2
81.07050	1.9
89.03937	0.4
91.05466	2.0
93.07055	2.6
95.04937	0.6
95.08606	4.1
105.07032	2.8
107.08597	3.3
109.10146	2.4
119.04946	1.0
119.08594	2.4
121.06476	3.2
121.10162	2.4
123.11711	0.8
129.06999	0.5
131.08536	0.9
132.05719	1.0
133.10101	2.7
134.03616	0.9
135.04404	1.9
135.11682	2.1
143.08475	0.7
145.10164	1.7
147.04424	1.0
147.11696	1.3
149.05959	2.9
149.13266	0.6
157.10165	0.7
159.11664	2.2
163.14772	0.7
171.11758	0.6
173.13284	1.0
175.14833	0.7
177.16420	1.3
184.03688	0.5
187.14859	0.9
189.16370	1.1
191.17966	0.5
199.14864	0.8
200.07988	0.5
201.16365	2.2
202.02499	1.0
203.17955	1.0
205.19827	0.4
213.16508	0.6
215.18007	1.5
217.19614	0.7
227.07106	0.7
227.17896	0.4
229.19601	1.2
230.02122	1.3
241.19389	0.5
243.21150	0.8
255.06602	1.8
255.21167	0.8
256.07336	0.7
258.01596	2.8
269.08142	1.9
269.22656	1.0
283.06052	1.2
284.06775	2.8
297.07559	4.8
298.08447	0.6
299.09079	4.7
317.08170	0.5
319.06024	1.6
332.06863	0.6
333.07770	1.5
334.08496	0.8
345.07657	0.8
347.05499	2.3
360.06326	0.7
361.07089	2.4
362.07813	1.2
363.08832	0.7
373.07150	0.9
375.04843	2.5
389.06863	1.4
390.07318	24.0
391.07898	1.1
394.12814	0.4
403.08618	1.0
405.09781	4.6
405.35333	1.4
408.18109	0.4
417.05905	0.6
419.07553	0.6
421.10333	0.5
449.09818	1.0
450.11182	0.7
461.10349	0.6
465.13345	0.7
475.11523	1.1
477.09888	1.2
478.10446	0.7
493.12915	3.2
495.10629	1.0
503.11298	1.2
504.11890	1.7
505.09363	0.5
506.10046	1.0
519.10760	0.7
520.11572	1.5
521.12195	4.5
535.13995	1.3
538.12476	0.7
549.11841	1.8
553.14777	1.5
581.14398	100.0
581.38336	3.7
582.14795	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	7.0
55.01861	10.5
55.05491	33.7
57.03420	24.6
61.02901	12.0
61.84451	8.5
66.65054	7.7
67.05495	100.0
68.56155	8.3
69.03418	15.0
69.07071	46.0
71.01342	7.1
71.03876	17.4
71.04240	16.0
71.04967	14.1
79.05486	57.4
81.03391	31.2
81.07052	82.0
83.04980	16.3
83.08620	31.0
85.02872	14.6
85.06503	8.7
89.54384	9.4
91.05477	62.7
93.07038	63.6
95.04963	15.0
95.08572	45.7
97.02877	10.3
97.06511	22.1
97.10145	11.7
103.05457	8.7
105.07021	44.8
107.04910	8.3
107.08598	37.7
109.10136	43.2
111.08085	8.9
111.77848	7.8
117.06996	15.0
119.08562	32.2
121.06490	30.3
121.10160	22.7
123.04343	10.5
123.08036	14.1
125.09612	14.5
127.03889	8.7
131.08533	18.7
133.10081	32.0
135.11687	18.3
137.09628	13.1
145.10115	12.2
147.11703	19.9
149.09596	15.0
149.13275	9.8
159.11708	19.0
161.13306	9.8
163.11153	12.1
173.11732	17.7
229.14301	36.7
231.33957	7.8
255.15948	11.3
257.18915	11.8
275.20026	53.6
297.99091	8.9
307.23508	8.0
349.23743	66.3
580.36780	21.3
581.14160	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	579.389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.0
55.01864	6.5
55.05509	30.6
57.03427	9.0
65.03949	4.2
67.05504	100.0
69.03425	6.0
69.07065	28.8
69.25208	5.1
69.25530	46.7
71.04983	6.2
77.00759	3.4
79.05496	59.2
81.03409	9.2
81.07056	81.1
83.04960	16.1
83.08613	20.5
85.06602	4.9
91.05463	45.7
93.07037	60.9
95.04971	15.0
95.08603	60.4
97.06516	10.5
97.10162	10.6
99.08102	4.3
105.07004	31.5
107.04947	6.8
107.08591	34.7
109.06499	4.4
109.10165	41.3
111.08041	7.2
117.07010	14.4
119.08577	28.7
121.06497	5.1
121.10149	36.8
123.04467	4.0
123.08034	4.8
123.11695	6.9
125.09647	11.0
129.06982	8.3
131.08569	25.0
133.10127	20.7
135.11699	20.5
139.11182	5.3
143.08560	6.4
145.10135	23.1
147.11685	17.2
149.09581	4.9
149.13254	7.7
155.08662	4.7
157.10172	5.2
159.11665	11.7
161.13286	5.8
163.11168	15.7
169.10138	4.4
171.11702	5.9
173.09592	3.9
173.11845	7.4
173.13293	9.9
175.11247	4.7
175.14856	5.5
181.12144	4.9
187.14838	4.6
191.10716	8.2
193.12285	4.6
211.13231	4.6
227.12735	12.8
229.14316	9.0
245.13812	6.1
249.14664	4.8
261.22116	11.5
264.57269	3.8
267.15948	4.7
277.21603	6.5
283.15527	8.4
289.21506	5.0
301.16348	8.2
303.23059	6.8
315.23206	6.5
317.25037	4.7
327.23444	3.6
335.25745	11.3
408.76041	3.7
489.35849	9.1
490.48926	3.7
508.91895	4.0
543.36957	13.5
561.37793	19.4
579.38342	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	579.1497
Annotation	Procyanidin B6
Peak:m/z	Relative Intensity
55.01896	1.6
64.73405	1.1
65.03936	2.4
68.99798	4.2
70.83578	3.0
81.03423	3.0
81.49802	1.0
81.92923	1.2
89.03944	1.5
95.04942	1.5
99.04469	1.3
107.04966	4.1
109.02856	3.0
111.00790	1.6
111.04433	2.3
123.04426	39.5
127.03910	100.0
131.04927	2.5
135.04410	32.2
137.02341	3.7
137.06021	1.0
139.03899	46.9
147.04419	5.3
149.02354	4.9
149.05962	2.5
151.03922	8.9
159.04424	3.2
161.06030	3.1
163.03908	32.9
165.05473	4.7
167.03392	7.4
169.06519	1.6
173.05997	3.0
175.03906	2.9
177.05496	4.0
179.03419	2.9
181.06409	1.1
186.04050	1.1
187.03900	5.4
189.05476	2.7
191.03394	13.3
191.05115	1.7
193.05032	4.6
197.06015	4.0
200.45465	1.0
201.05429	6.6
203.03377	8.3
205.05011	3.5
207.06526	1.5
213.05392	1.8
215.03404	2.5
215.07027	2.6
217.05237	1.7
225.05421	2.3
229.05013	7.4
231.06664	3.0
233.04462	4.7
233.23953	1.0
243.06595	5.5
245.04509	6.7
247.05980	13.0
251.05516	1.7
253.05074	1.3
255.06482	1.7
257.04407	10.9
259.06018	9.0
261.07468	2.1
269.04419	1.9
271.06015	18.6
275.05487	12.7
283.06006	7.3
287.05487	20.8
289.07050	7.3
291.08627	6.2
299.05472	3.1
301.06961	7.9
303.08688	1.7
348.20096	1.1
350.77615	1.1
376.94675	1.2
383.79559	1.3
402.32635	1.1
409.09161	19.3
411.10840	2.3
427.10043	2.5
451.01572	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99069	4.0
53.03953	10.3
55.01881	5.8
55.05510	21.2
57.07069	10.3
59.36181	3.8
66.94972	4.1
67.05504	65.5
68.99789	5.6
69.03441	8.3
69.07069	10.5
71.04991	9.1
75.76266	4.5
79.05062	6.6
79.05495	83.0
81.03420	27.1
81.07050	48.7
83.04977	11.9
83.08612	10.6
85.02888	5.1
85.06534	10.9
91.05482	71.2
93.07047	100.0
94.07394	4.1
95.04988	20.8
95.08007	5.8
95.08588	33.4
97.02919	11.2
97.06553	5.0
97.10202	6.5
98.20715	9.6
102.82677	4.2
105.07037	50.4
107.04965	8.9
107.08614	31.4
109.02885	44.0
109.06512	11.4
109.10143	9.5
117.07006	11.4
119.08574	23.7
121.06473	6.1
121.10152	18.0
123.04424	14.1
123.08060	15.3
125.09543	4.5
127.03915	44.9
127.07544	4.9
128.06248	4.9
129.07019	23.9
131.08591	11.1
133.10120	15.2
135.11668	7.1
137.09615	5.4
143.08554	8.8
145.10133	14.1
147.11681	60.6
150.56746	4.3
161.09590	5.8
161.13254	11.8
163.03886	5.9
163.11180	6.5
165.09096	19.8
171.11722	40.7
176.38535	4.3
189.11238	4.2
189.12796	24.5
193.08644	31.2
207.13814	78.2
209.73193	4.1
211.09665	35.4
217.04945	11.2
235.05934	5.5
245.13707	5.4
261.22156	11.7
333.17047	6.0
335.25742	5.2
388.82306	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	579.1494
Annotation	Kaempferol 3-(2-(E)-p-coumarylrhamnoside)
Peak:m/z	Relative Intensity
53.03933	2.5
53.42077	0.9
53.84018	1.0
55.01858	2.0
61.43103	0.9
65.03918	1.7
67.05496	2.0
68.99771	4.8
69.52562	4.5
69.52988	3.4
81.03409	2.6
85.02878	1.0
91.05483	2.0
95.04952	3.5
105.03374	1.5
107.04956	4.7
109.02872	3.0
111.00822	2.7
111.04446	3.1
115.05478	1.1
119.04958	6.0
121.02874	1.3
123.04423	100.0
127.03915	70.2
131.04893	2.1
133.14267	1.0
135.04402	28.4
137.02328	2.6
137.05949	1.7
139.02803	1.9
139.03894	37.4
143.04890	1.5
145.06503	1.3
147.04410	15.2
149.02338	3.9
149.06007	2.1
151.03859	7.3
153.01828	1.1
157.06445	1.4
159.04355	1.8
161.05975	4.6
163.03900	34.5
165.05476	9.0
167.03406	4.3
167.07091	4.6
169.06538	2.1
173.05951	3.9
175.03893	2.8
177.05463	3.3
179.03410	6.7
179.07036	1.1
181.04962	3.6
185.05943	1.9
187.03885	4.8
189.05498	3.4
191.03394	9.1
193.04991	7.9
197.05974	2.8
201.05473	4.7
203.03380	12.9
203.06903	1.3
205.05008	2.5
207.06465	1.9
213.05475	3.2
215.03525	1.2
215.07086	2.9
217.04982	2.8
225.05414	1.3
229.04968	8.6
231.06366	2.0
233.04346	2.3
236.56171	0.9
241.05000	2.1
243.06566	3.4
245.04442	16.7
247.06015	14.8
251.05426	1.1
253.04938	2.0
255.06534	2.5
257.04413	16.3
258.05264	2.7
259.06039	5.2
269.04285	2.4
271.05988	17.6
271.08789	1.4
275.05478	15.4
283.06021	7.2
285.07593	2.3
287.05502	38.8
289.07114	6.0
291.08624	11.4
299.05518	10.9
301.07025	9.2
303.08682	3.2
311.05627	1.6
313.07001	1.1
331.08102	2.6
333.09756	1.1
387.14450	1.4
409.09161	31.7
411.10629	3.5
427.10281	5.3
435.10861	5.9
439.10233	4.2
453.11975	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1495
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
55.01874	1.6
58.36461	1.2
60.72023	1.0
63.53061	1.0
65.03930	2.0
68.99780	4.9
69.88573	6.9
81.03416	2.4
90.09374	1.0
95.04977	1.8
98.21529	1.0
107.04959	4.2
109.02872	3.0
111.00830	3.5
111.04430	3.1
119.04958	1.9
121.02883	1.9
123.04424	45.5
123.05331	2.3
127.03915	100.0
131.04936	3.2
135.04414	30.3
137.02307	2.7
137.30791	1.3
139.03896	47.1
142.93646	1.1
147.04395	6.5
149.02345	4.3
151.03909	6.4
155.26614	1.2
159.04416	2.5
161.02298	1.2
161.05945	3.5
163.03903	35.5
165.05493	8.5
167.03372	6.8
169.06444	2.1
173.05977	3.7
175.03876	3.6
177.05493	3.7
179.03406	3.0
187.03848	6.3
189.05458	2.9
191.03383	10.9
193.05014	1.4
195.02956	1.2
197.06013	5.3
201.05492	7.3
203.03398	10.3
203.07042	3.0
205.04852	2.4
207.02936	1.6
213.05457	1.9
215.03458	2.6
215.07057	3.4
217.04980	1.3
219.02849	2.4
225.05692	1.2
229.04929	9.8
231.02939	2.1
233.04448	6.8
243.06403	5.1
245.04430	6.2
247.06049	15.8
249.03963	1.7
251.05605	2.0
257.04391	9.5
259.06085	6.5
261.03955	3.5
269.04462	1.9
271.05991	19.8
273.04010	1.6
273.07291	1.5
275.05539	17.5
283.06018	7.2
285.03955	2.8
286.04163	1.2
287.05484	21.5
289.07077	8.6
291.05399	1.8
291.08517	12.6
292.08929	1.2
297.07504	1.8
299.05292	5.6
301.07047	10.5
327.04996	2.0
339.07907	1.4
363.07242	1.5
381.09607	1.4
405.08527	1.1
409.09192	23.2
411.10760	2.6
427.10141	3.8
429.12018	1.2
441.10730	1.2
447.11005	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71082	0.8
54.54404	0.7
55.01867	2.0
63.22980	0.7
65.03885	0.8
67.05482	1.0
68.99789	4.5
70.41175	3.0
71.72367	0.9
72.90298	0.9
77.03974	1.0
81.03410	2.7
83.04958	0.8
91.05476	1.5
95.04962	2.2
99.04468	0.9
107.04984	3.7
109.02882	2.4
111.00813	2.3
111.04446	3.6
113.37184	0.8
117.03363	1.0
119.04934	2.9
121.02871	2.0
123.04430	45.9
127.03917	100.0
129.07051	0.9
131.04919	2.2
135.04413	32.1
136.04671	0.7
137.02371	4.0
137.05930	0.8
139.03903	57.1
140.04240	0.9
141.07042	1.3
143.04918	0.9
147.04408	8.7
148.29951	0.8
149.02354	5.4
149.05972	1.8
151.03925	10.5
153.01881	0.9
155.04846	1.3
157.06474	0.9
159.04463	3.8
161.02554	1.0
161.05981	2.9
163.03909	33.6
165.05458	7.7
167.03427	7.4
169.06494	1.8
173.05984	3.3
175.03911	3.1
177.05476	4.2
179.03404	3.4
181.05002	1.0
181.06494	1.1
187.03886	6.1
189.05458	2.9
191.03383	11.1
193.05009	3.6
197.06010	4.0
201.05461	5.7
203.03415	9.0
203.07019	2.3
205.04944	2.8
207.06511	1.9
213.05467	1.6
215.03343	1.0
215.07019	1.9
217.04958	1.6
229.04964	6.6
230.05606	0.9
231.06468	2.3
233.04495	4.6
243.06581	4.6
245.04431	6.3
247.06000	13.0
251.05438	1.9
253.05083	1.2
255.06552	1.5
257.04416	11.0
259.06021	6.3
269.04443	2.4
271.06027	18.6
273.07434	1.7
275.05481	15.7
283.06012	4.7
285.07437	1.1
287.02267	1.2
287.05475	23.0
289.07083	11.1
291.08606	15.0
299.05530	2.1
301.07062	11.2
303.08594	2.1
409.09222	19.7
411.10840	1.3
421.09128	0.9
427.10187	4.7
431.71249	1.0
434.76181	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1496
Annotation	Kaempferol 3-(2-(E)-p-coumarylrhamnoside)
Peak:m/z	Relative Intensity
53.03960	2.4
55.01868	2.3
56.52796	1.3
65.03951	1.1
65.68242	1.3
66.32829	1.2
67.01875	1.6
67.05484	1.8
68.99786	10.7
71.04988	2.1
71.58081	2.6
78.06541	1.2
78.47334	1.3
81.03429	1.8
85.02917	2.8
91.05468	1.2
95.04988	2.8
107.04944	5.5
109.02888	2.8
111.00826	8.2
111.04431	3.0
115.05441	1.8
119.04949	5.0
120.15819	1.2
121.02891	4.5
123.04431	100.0
127.03915	93.8
131.04913	2.8
135.03392	2.2
135.04420	33.7
137.02313	5.9
139.03905	47.8
144.03668	1.2
147.04401	19.9
149.02328	4.1
149.05997	3.4
151.03867	6.0
153.01851	6.7
155.03401	1.7
155.04742	1.5
157.06461	2.2
159.04407	4.0
161.05972	6.2
163.02550	2.7
163.03911	45.9
165.05511	14.8
167.03397	12.6
169.06421	2.3
173.06036	4.1
175.03865	5.9
177.05507	7.0
179.03400	10.3
179.07022	1.8
181.04939	1.7
185.06041	2.3
187.03908	9.2
189.05495	9.5
191.03392	25.5
193.04980	5.6
197.06001	3.6
201.05482	12.5
203.03392	23.6
203.07031	2.7
205.04961	5.9
207.06570	2.8
213.05478	4.0
215.03357	3.5
215.07053	4.4
217.04990	4.5
223.02327	2.1
225.05443	2.7
227.03421	1.7
227.07028	1.8
229.04958	14.9
231.06538	2.8
233.04483	12.5
241.04968	3.9
241.14665	1.2
243.06561	4.2
245.04466	16.2
247.06020	18.2
251.05550	3.8
253.04904	1.6
255.06493	3.3
257.04468	33.8
258.02643	1.5
258.05215	2.2
259.05966	7.7
269.04456	13.6
271.03107	1.6
271.06009	25.5
273.07632	3.0
275.05493	39.8
283.06104	6.9
285.07446	3.3
287.05505	60.6
289.06998	10.8
291.08698	9.6
299.05490	10.5
301.07144	10.1
303.08585	4.2
313.07068	1.8
325.07010	1.6
349.06921	1.6
391.08154	10.3
409.09186	49.0
411.10709	5.0
421.09241	2.6
427.10306	5.7
435.10577	5.2
439.10049	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	579.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41297	0.4
55.05490	0.5
57.03414	0.5
64.69270	0.4
67.05493	1.0
69.03425	1.0
69.07058	0.6
70.06595	7.6
70.21149	1.0
70.21546	1.2
76.31515	0.5
79.05472	1.2
81.03420	1.2
81.07042	1.3
84.08119	1.4
85.02895	1.1
86.09689	1.6
91.05463	1.0
93.07066	0.6
95.05000	1.0
95.08601	0.9
97.02894	1.1
97.06557	0.6
103.05457	0.8
107.04954	0.9
109.02840	0.8
119.08591	0.6
121.02892	0.8
121.06495	0.7
123.04437	2.0
127.03883	2.3
130.06551	1.5
131.04967	1.1
133.02795	0.8
135.04410	0.9
137.05975	1.4
139.03888	1.2
145.06514	0.9
147.04454	1.1
148.05109	0.6
153.01833	0.7
157.07613	1.5
158.06036	1.3
161.06003	1.1
163.03931	1.3
163.07523	0.7
167.07065	3.6
169.01318	0.8
171.04494	0.6
173.05981	1.5
175.08679	1.8
176.09012	0.6
177.00690	0.5
177.05518	0.6
181.05032	1.1
181.06499	0.6
183.14925	0.7
185.00749	1.3
186.01535	0.6
187.07454	0.6
191.07062	1.0
194.07262	0.5
199.07637	0.5
200.04703	0.7
211.07526	0.7
213.05510	0.7
228.03999	0.7
229.04939	0.6
235.07729	0.6
241.04948	0.6
242.05795	1.1
245.04399	5.9
256.03641	1.6
259.06030	0.8
269.04480	1.3
270.05197	1.4
271.06055	2.6
273.03949	7.6
277.15714	0.5
283.06061	0.5
284.03134	2.3
285.03882	0.8
285.07294	0.6
287.05469	2.4
298.04785	2.3
298.67389	0.5
299.05450	2.5
300.13492	0.8
301.03424	7.5
301.13641	0.8
309.06046	0.5
315.05020	3.4
316.05777	34.3
317.06131	0.6
331.08121	100.0
332.08533	3.0
347.16522	0.7
350.14896	0.9
351.15399	1.1
365.17673	0.8
379.22723	0.5
403.13849	0.7
444.07611	0.5
465.22089	0.5
466.21564	1.3
547.19702	1.0
579.21674	2.7
579.29877	0.7
598.82764	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1344
Annotation	tricin 7-(6-malonylglucoside)
Peak:m/z	Relative Intensity
52.92224	0.3
68.99776	0.4
69.03409	0.4
69.14112	0.3
69.70631	0.8
69.71043	1.6
70.06573	1.4
81.03400	0.6
84.08113	0.4
85.02892	1.0
87.00816	0.5
109.02900	0.8
124.60303	0.3
127.03934	0.6
131.04915	0.7
148.05199	0.7
153.01808	0.5
159.02902	0.4
166.99738	0.4
167.06979	0.6
168.00577	0.6
169.01381	0.8
175.03911	0.5
185.00777	0.8
186.01555	1.1
209.40228	0.4
214.06236	0.4
217.05051	0.4
225.72229	0.3
228.04189	0.4
241.04797	0.5
242.05898	0.7
243.06581	0.4
245.04442	4.9
256.03745	1.6
269.04456	1.2
270.05249	1.5
271.06097	1.7
273.03922	7.6
284.03082	2.6
285.03934	0.5
287.05536	2.0
298.04773	2.1
299.05545	2.2
301.03403	8.1
315.04868	3.9
316.05777	37.1
317.05975	0.7
331.08109	100.0
332.08707	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	579.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.01868	0.4
57.03434	0.3
59.07023	0.1
61.02910	0.3
62.74716	0.1
67.05505	0.2
68.99800	0.5
69.03432	1.4
69.40427	0.2
69.40759	1.6
70.06590	1.1
71.03139	0.2
71.04972	0.2
73.02923	0.3
73.27584	0.1
73.45644	0.1
74.80960	0.1
79.05474	0.2
81.03046	0.2
81.03423	1.8
81.07050	0.3
84.07685	0.3
84.08142	3.0
85.02909	2.0
86.09690	0.3
87.00817	1.0
91.05469	0.2
92.57863	0.1
93.07025	0.4
95.01253	0.2
95.04948	0.3
95.08638	0.2
97.02872	0.7
99.04459	0.5
105.01871	0.3
107.04945	0.3
109.02892	1.2
109.06512	0.2
111.04429	0.6
111.05145	0.1
111.18915	0.2
117.01858	0.2
118.04200	0.1
119.04945	0.4
121.02841	0.3
123.04443	0.8
127.03899	1.8
130.06554	0.2
130.08681	0.4
131.04915	0.4
131.08600	0.2
133.02901	0.2
135.04407	0.8
137.05933	0.4
139.03893	1.1
139.67534	0.2
141.33617	0.2
145.04942	0.3
145.06465	0.2
147.04408	0.5
149.02403	0.4
150.03114	3.3
151.03880	0.2
151.07483	0.2
152.01021	0.5
153.01855	1.3
153.05447	0.3
158.40794	0.2
159.02870	0.4
161.05919	0.2
163.03839	0.9
163.07408	0.2
164.04683	0.6
165.05586	0.2
167.03401	7.4
167.07013	0.8
169.01363	0.3
171.04408	0.2
172.05135	0.3
173.05891	0.2
175.03976	0.3
177.01878	0.3
177.05478	0.3
179.03418	0.4
181.04988	0.2
183.04437	0.4
184.03659	0.6
186.03021	0.2
191.03381	1.3
191.07071	0.3
193.04903	0.2
197.05908	0.4
199.04008	0.2
200.04680	0.5
201.05424	0.3
211.03873	0.3
212.04630	0.3
213.05508	0.4
214.06241	0.5
215.07047	0.5
216.04176	0.2
217.04932	0.6
226.06233	0.2
227.03380	0.3
227.07043	0.6
228.04169	2.1
229.04921	0.2
231.06503	0.5
239.03419	0.3
241.05005	0.7
242.05733	4.1
243.06505	2.9
245.04419	0.9
253.04890	0.3
254.05724	0.4
255.02942	0.2
256.03632	1.3
257.04514	0.3
257.08063	0.4
259.05978	0.3
269.04584	0.3
270.05240	2.4
271.06003	4.3
273.03885	1.0
275.09055	1.3
282.05341	1.0
283.02280	0.2
283.05927	0.3
284.03131	0.6
285.07593	1.8
287.05450	0.6
288.06253	0.2
297.04025	0.2
298.04718	2.5
299.05487	3.4
300.06143	0.2
301.03351	1.1
303.05023	0.2
303.08578	0.4
313.07147	1.7
315.05121	0.9
316.05753	10.0
317.06326	0.3
331.08099	100.0
332.08450	1.7
352.75836	0.2
364.91818	0.2
381.31119	0.6
399.32162	0.5
403.13803	0.2
417.08008	0.2
417.33096	0.5
466.21689	0.3
547.19269	0.4
579.22015	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1342
Annotation	tricin 7-(6-malonylglucoside)
Peak:m/z	Relative Intensity
52.03683	0.3
70.04151	0.9
70.04568	0.9
70.06605	0.4
74.48616	0.3
79.76636	0.3
81.03421	0.4
81.11411	0.3
85.02890	0.5
91.05465	0.4
96.02097	0.4
97.02891	0.3
100.50574	0.3
105.03362	0.4
108.46851	0.3
109.83076	0.3
111.04427	0.5
123.04443	1.1
127.03899	0.7
135.04414	1.1
139.03888	1.2
142.21021	0.3
147.04391	0.7
150.03127	3.8
151.03909	0.4
152.01004	0.6
161.06007	0.5
163.03857	0.6
167.03394	11.1
167.07059	1.6
181.04965	0.8
183.04312	0.5
184.03664	1.1
191.03326	2.0
200.04663	0.7
201.05397	0.6
202.86035	0.3
211.03911	0.4
214.06265	0.7
215.06944	0.6
217.04871	0.6
219.06541	0.4
227.03333	0.4
227.07050	0.8
228.04144	2.3
231.06523	0.9
241.05142	0.5
242.05710	4.4
243.06522	4.1
245.04501	0.6
254.05699	0.5
254.08134	0.5
255.97650	0.3
256.03699	1.0
256.38129	0.4
257.08087	0.9
270.05240	2.2
271.05997	4.8
273.03806	0.4
275.09164	1.4
278.08005	0.5
282.05276	1.4
283.06064	1.0
284.03140	0.5
285.07562	2.9
287.05539	0.6
288.06241	0.6
298.04651	0.9
299.05420	3.2
313.06973	2.3
316.05771	8.7
331.08109	100.0
332.08383	2.1
400.67978	0.4
412.11938	0.4
579.21002	1.2
579.30280	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04792	3.4
53.03941	4.5
55.01875	10.9
55.05510	47.2
57.03435	10.6
57.07076	7.7
65.03915	7.2
67.05167	7.0
67.05506	87.3
68.05822	4.9
69.03431	4.5
69.07066	30.3
71.04993	11.0
71.08624	4.7
71.58706	5.4
74.84749	4.1
75.44982	3.8
79.05497	69.1
79.82270	3.4
81.03429	9.4
81.07053	100.0
83.04974	10.2
83.08622	28.9
85.06548	6.8
91.05459	49.4
91.05917	4.4
93.07042	57.4
95.04974	16.3
95.08609	59.4
97.06547	10.2
97.10178	33.8
105.07023	52.4
105.29576	3.6
107.04959	5.3
107.08598	48.2
109.06512	12.6
109.10144	32.2
111.08085	8.2
117.07023	19.7
119.08578	37.7
121.06499	9.8
121.10135	27.4
123.08084	11.4
123.11675	7.8
125.09656	27.5
129.06999	12.4
131.08540	32.7
133.10141	38.4
135.08051	11.4
135.11696	14.9
141.07005	4.4
143.08554	16.1
145.10072	26.7
147.11655	19.9
149.09618	8.4
149.13274	10.3
151.11215	10.0
153.12750	3.7
155.08577	9.4
157.10107	13.1
159.08075	4.9
159.11711	14.8
161.09567	8.9
161.13292	12.7
163.11148	9.5
163.14879	4.2
169.10234	7.5
171.11671	8.2
173.09534	4.1
173.13298	11.3
175.14873	6.2
178.26575	3.7
183.11725	4.5
185.13266	11.2
187.14877	9.5
189.11230	12.8
197.13338	5.2
199.14934	6.9
227.12808	33.9
241.19560	4.1
261.22229	4.9
269.17532	5.5
277.21713	4.7
291.19498	9.2
299.14944	4.3
301.25327	13.0
309.91809	3.9
407.24216	4.9
417.31622	5.3
421.25821	7.6
435.32556	11.9
453.33765	13.1
471.34607	5.7
501.35666	12.5
509.36154	5.1
519.36865	32.8
527.37555	34.5
541.35907	4.6
545.38336	44.0
559.39111	14.0
577.41205	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	577.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89812	4.5
53.03946	9.2
55.01867	11.9
55.05511	47.4
57.03428	10.7
59.75711	4.1
67.05508	89.8
69.07069	23.8
69.82278	8.0
69.82679	26.9
71.04507	4.1
71.04980	16.5
79.05492	66.0
81.03419	20.9
81.07057	100.0
82.69713	4.2
83.04981	14.4
83.08628	23.4
85.06546	12.3
91.05463	56.5
93.07040	70.7
95.04976	20.9
95.08605	66.2
97.06548	12.8
97.10173	22.6
99.08083	8.3
105.07041	48.7
107.04999	6.2
107.08591	39.9
109.06525	9.1
109.10163	34.3
111.08018	6.5
117.07014	17.0
119.08588	43.9
121.10140	39.1
123.08044	6.6
123.11720	11.1
125.09645	18.5
129.07016	12.4
131.08557	39.5
133.10112	31.6
135.11684	17.9
143.08546	11.8
145.10109	23.7
147.11707	25.4
149.13260	8.5
151.11162	5.4
155.08510	12.4
157.10141	10.2
159.11729	16.3
161.13316	10.3
163.11267	9.0
163.14806	5.8
169.10178	5.5
173.13277	18.7
183.11707	10.5
184.07353	8.4
185.13330	9.0
189.11302	9.1
193.12216	10.3
195.11752	5.1
227.12785	13.4
259.20648	5.0
261.22171	14.2
267.15820	23.0
273.18661	5.3
284.09424	5.1
289.21753	5.2
291.19568	9.2
293.21097	13.3
299.23724	5.9
301.25256	9.8
335.25775	13.0
363.25214	5.3
435.32803	10.1
453.33502	10.0
501.36414	5.4
527.37299	51.1
545.38531	36.0
559.36438	9.3
573.90198	5.5
577.17529	5.9
577.37952	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	577.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.3
55.01873	5.3
55.05510	36.0
55.61860	3.0
57.03443	15.5
59.04979	4.4
63.20588	3.0
67.05504	100.0
69.03448	4.6
69.07059	24.0
69.76376	20.4
71.04980	22.7
73.06554	3.7
75.23917	2.7
79.05487	61.9
81.03417	21.8
81.07052	83.2
83.04971	9.3
83.08611	21.8
85.06550	8.3
91.05488	50.3
93.07041	69.4
95.04973	17.2
95.08603	64.1
97.06544	12.2
97.10152	17.5
105.07030	55.6
107.04953	6.1
107.08590	40.4
109.06542	6.0
109.10151	29.3
111.08052	3.6
113.07676	2.9
117.07010	17.6
119.08577	42.8
121.10145	31.7
123.08060	8.2
123.11711	10.3
125.09637	17.8
129.06982	15.3
131.06877	2.9
131.08594	37.2
133.10126	33.7
133.94044	3.4
135.08025	5.5
135.11716	16.7
137.09590	4.0
137.13243	4.9
139.11119	4.7
142.07938	3.8
143.08598	16.1
145.10144	30.5
147.08076	3.1
147.11691	25.5
149.09636	5.5
149.13260	12.3
155.08542	7.8
156.09477	3.8
157.10136	18.0
159.11708	24.1
161.13243	9.2
163.11229	4.1
163.14902	4.1
169.10077	9.0
171.11699	8.9
173.13297	10.5
175.11197	5.8
175.14870	5.4
177.12688	3.4
183.11678	7.2
185.13318	10.8
187.14810	9.6
189.11275	7.5
193.12256	9.5
197.13287	4.2
199.14853	5.3
227.12726	15.4
239.16478	4.6
261.22238	7.0
267.15948	27.2
287.23795	5.1
289.21710	5.0
301.25336	9.4
303.23157	5.5
333.24371	5.8
335.25726	8.6
363.25214	4.3
417.31470	5.4
435.32596	19.2
453.33505	14.5
471.34805	4.5
527.37341	50.5
545.38550	38.9
559.39850	5.9
577.37445	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	577.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.9
59.04991	24.4
61.91101	3.1
67.05517	29.7
69.03430	100.0
69.07037	3.2
70.34021	7.6
70.34418	6.8
71.04976	4.5
73.06570	3.6
79.05495	9.5
81.07050	18.2
83.04990	3.3
85.02945	3.3
85.06532	10.0
87.04466	11.3
91.05429	4.7
93.07057	9.3
95.04961	49.4
95.08592	7.8
104.56395	4.1
105.07043	10.5
107.08600	10.5
113.06001	87.9
119.08525	4.5
121.10106	4.3
123.04449	4.0
127.07545	8.3
129.06961	3.4
131.08568	8.3
133.21156	3.8
134.47432	3.4
143.08563	5.4
145.08611	40.6
145.10144	5.9
146.06760	3.4
147.11679	3.8
157.10074	3.5
161.13139	3.4
179.33221	3.3
227.10716	4.4
241.12302	4.3
253.54872	3.5
337.21542	29.1
355.22665	23.1
373.23755	31.1
533.46973	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	577.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.0
53.24562	2.2
55.01672	2.5
55.01876	29.1
55.05266	3.5
55.05511	43.6
55.15024	2.4
56.55812	2.4
57.03432	18.3
61.25397	2.3
63.62014	2.1
64.32738	2.8
65.03914	5.3
67.05502	94.0
69.03417	7.1
69.07065	30.9
71.04987	11.7
71.20054	6.1
79.05070	4.9
79.05495	71.7
81.02982	5.0
81.03416	56.4
81.07057	100.0
83.04979	15.7
83.08614	35.6
85.02907	20.2
85.06519	5.7
91.05477	81.6
91.16650	2.3
93.07034	64.3
93.07622	3.3
95.04964	46.2
95.08609	40.3
97.06527	37.6
97.10165	17.0
105.07027	78.2
106.19658	2.5
107.04953	26.5
107.08595	52.5
109.06544	15.2
109.10152	26.2
111.04445	5.0
111.08054	10.5
113.05969	4.2
115.05402	4.1
115.11459	2.3
116.73132	2.4
117.07003	19.3
119.04977	3.2
119.08572	53.3
120.16307	2.9
120.96430	2.5
121.06503	8.8
121.10152	29.2
123.08082	10.6
123.11678	6.9
123.13249	2.5
125.09683	15.7
129.06982	20.6
131.08572	38.1
133.06526	3.7
133.10126	42.7
135.08052	9.7
135.11714	13.1
137.09630	8.0
142.07748	5.4
143.08562	9.6
145.10112	26.4
147.08006	4.6
147.11694	38.0
149.09633	33.7
149.13226	3.7
151.11156	6.1
155.08534	6.8
157.10117	21.3
159.08054	5.0
159.11688	11.2
161.09604	4.3
161.13239	9.0
163.11261	17.5
165.09184	3.5
165.12801	7.1
169.10207	3.5
171.11705	8.2
173.09666	3.9
173.11847	3.0
173.13287	8.1
175.11163	17.7
177.12737	5.1
181.12241	2.8
183.11734	5.7
185.13307	4.5
187.11220	4.9
187.14841	3.8
189.11205	9.2
193.12219	45.9
197.13148	4.7
203.14436	3.0
211.13274	46.7
219.13513	2.9
227.12726	18.0
229.19624	3.2
239.17938	6.2
247.20515	4.3
257.19012	12.6
259.20615	3.2
267.15918	18.4
273.18295	3.3
275.20062	75.3
285.16940	32.9
291.19620	3.6
293.21130	9.9
301.21600	4.2
349.23755	31.7
467.31635	4.2
479.29755	5.2
527.56097	2.5
532.08740	2.9
541.35529	14.2
559.36292	27.3
577.37476	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	577.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.9
55.01866	4.6
55.05515	10.6
57.03440	11.0
57.07073	2.5
67.05505	47.6
69.03434	2.2
69.07069	12.9
69.91084	12.4
71.05005	2.5
71.08638	4.3
79.05492	45.8
81.03426	12.7
81.07056	58.8
83.04982	6.1
83.08623	6.7
84.57963	2.5
85.89020	2.1
91.05460	28.8
93.07042	51.7
95.04970	8.5
95.08607	43.1
95.09230	2.3
97.06573	4.9
97.10146	2.5
98.98467	100.0
98.99124	4.9
99.04442	2.5
105.07027	23.7
107.08593	32.7
109.02885	9.5
109.06506	2.8
109.10146	21.2
113.09613	2.6
116.35791	2.0
116.99477	5.3
117.07031	6.0
119.08591	19.4
121.10152	25.6
123.08057	2.3
123.11716	7.0
127.03902	2.5
131.08577	15.4
133.10123	15.1
135.11693	21.8
137.13309	3.9
145.10153	12.7
147.11623	13.1
149.02306	5.9
149.09682	2.9
149.13255	15.7
151.11118	2.9
153.12822	3.1
155.01038	86.2
157.10080	2.2
159.11656	10.7
161.13278	12.4
162.60951	2.0
163.11235	2.6
163.14815	9.5
173.13297	11.9
175.14880	3.3
177.12737	2.1
179.14330	2.1
187.14787	6.4
193.04974	3.5
233.22585	3.4
243.02713	3.4
243.21068	25.9
261.22128	51.4
277.21637	3.1
317.06277	10.8
317.24750	9.7
335.25790	62.7
406.23343	2.4
415.22382	5.0
423.27310	5.7
559.26672	4.1
573.14471	6.1
577.13531	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	577.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62043	0.3
60.11481	0.3
64.49580	0.3
68.28465	0.4
70.06590	0.5
71.13254	0.7
71.13570	0.4
81.07046	0.7
83.10842	0.3
85.02902	0.4
86.09703	0.4
97.02888	0.4
107.04951	0.4
114.14829	0.3
123.04404	1.3
127.03913	1.0
133.02844	0.3
135.04379	0.7
137.05998	2.0
139.03876	1.3
139.46194	0.4
148.05168	0.9
149.06012	0.5
151.03906	0.6
153.01816	2.4
161.05930	0.5
162.06779	0.6
163.03912	0.9
167.03403	1.3
170.63231	0.3
177.01794	1.7
177.05547	0.3
184.03615	0.8
192.04198	2.1
197.01361	0.4
197.04453	1.4
197.06052	0.5
214.09569	0.3
225.05490	0.8
227.07059	0.8
243.06462	1.0
247.06126	0.4
252.04138	0.5
253.04939	1.2
255.06433	0.7
267.06540	4.1
268.07346	1.6
269.08087	0.8
270.05313	0.9
271.06131	2.1
273.11118	1.6
281.04489	1.2
283.06079	1.1
285.07599	5.2
286.08292	1.1
295.05927	2.4
296.06747	3.3
297.07617	1.2
299.05518	2.3
313.07047	17.5
314.07755	5.6
329.10187	100.0
330.10550	2.7
341.83319	0.4
577.20697	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1339
Annotation	Robinetinidol-(2beta->7,4beta->8)-catechin
Peak:m/z	Relative Intensity
53.03942	0.4
53.39779	0.3
67.05483	0.4
68.99791	1.5
69.73418	2.4
70.06574	0.6
73.00600	0.4
81.03403	0.8
84.08154	0.4
85.02886	0.5
86.09706	0.6
95.04942	0.4
97.02879	0.5
98.21413	0.5
105.03382	0.6
107.04972	0.8
109.02869	0.5
111.04431	1.2
121.02876	0.7
123.03564	0.8
123.04424	12.6
127.03941	4.3
131.04948	0.5
135.04424	3.8
137.02338	7.7
137.03412	0.6
137.05952	1.5
139.03899	3.7
145.06483	0.4
147.04410	1.8
149.02347	1.5
151.03897	1.5
153.01830	0.8
161.06003	0.8
163.03896	3.6
167.15039	0.4
169.06561	0.4
175.03912	1.3
177.05484	0.5
179.03421	0.9
181.06483	0.4
185.06047	0.9
187.03926	0.4
189.05481	1.4
191.03404	0.8
197.05959	0.5
199.03868	0.9
201.05464	1.0
203.03363	1.5
203.07065	0.5
213.05453	1.4
217.04900	0.8
225.05334	0.6
227.03441	0.8
229.04956	1.0
231.06534	1.0
237.05420	0.5
241.04984	1.5
245.04431	2.6
247.05978	2.7
253.05022	0.5
255.06575	0.5
257.04489	1.0
258.05222	0.6
259.05963	1.3
269.04437	1.0
271.05945	2.9
273.25143	0.4
283.05890	0.6
287.05484	100.0
288.05783	2.2
289.07022	0.5
295.05984	0.5
299.05585	3.2
301.06699	0.6
307.54285	0.4
311.05545	0.9
327.85446	0.4
355.18109	0.4
379.08215	0.5
393.09726	0.9
407.07556	1.2
409.09201	1.4
419.07645	2.0
425.08636	8.7
437.08606	4.5
447.99176	0.4
489.69180	0.4
521.09558	0.4
541.11371	0.3
559.11694	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.2
55.01867	10.3
55.05513	51.1
57.03429	14.0
57.07074	4.7
59.04984	4.9
61.30896	2.1
65.03930	4.8
67.05505	100.0
69.03426	7.8
69.07066	31.3
70.84518	6.0
71.04993	18.2
76.10629	2.4
79.05492	81.2
81.03420	25.5
81.06580	4.8
81.07055	84.7
83.04977	13.6
83.08617	23.5
85.02909	10.8
85.06551	7.6
85.33999	2.3
91.05480	73.1
93.07043	66.7
93.78464	2.5
95.04964	22.7
95.08603	62.0
97.06554	12.8
97.10155	22.9
99.08092	9.0
103.05447	3.6
105.07030	61.8
107.04969	17.1
107.08591	35.1
108.80782	2.7
109.06501	9.8
109.10153	23.5
111.08088	11.0
113.97154	2.5
115.05469	6.5
117.07014	34.6
119.08581	53.8
121.06506	8.5
121.10136	26.2
123.08061	10.3
123.11697	6.2
125.09618	19.7
128.06219	6.4
129.07016	24.0
130.07846	2.8
131.08566	46.6
133.06474	7.4
133.10135	43.3
135.08028	17.2
135.11697	16.1
137.09618	6.7
139.11172	4.3
141.06981	8.9
142.07817	5.8
143.08554	23.6
145.06474	5.8
145.10117	34.4
147.08096	8.4
147.11714	21.9
149.09610	10.8
149.13286	4.4
151.11232	6.4
155.08536	11.8
155.18356	2.4
156.09273	2.7
157.10109	27.2
159.07996	5.6
159.11687	23.4
161.09589	11.1
161.13245	8.5
163.11154	4.8
167.08647	6.1
168.09361	3.0
169.10124	16.5
171.08090	3.0
171.11687	16.6
173.09641	7.9
173.13258	15.4
175.11206	7.8
175.14769	5.3
181.10181	10.3
183.11620	12.4
185.09619	3.1
185.13264	12.7
187.14845	7.0
189.11227	11.4
189.12743	4.9
193.12291	11.1
195.11700	6.9
197.13266	8.9
199.11395	2.7
199.14838	3.6
201.12700	3.2
203.14366	4.1
209.13364	8.2
211.11487	2.7
211.13028	11.9
213.16388	3.7
217.15909	4.4
219.13916	2.8
221.13393	2.8
223.14915	6.0
225.16452	3.8
227.12729	12.9
235.14859	3.1
235.17079	2.9
245.19119	3.3
253.14328	5.0
267.15948	9.0
273.18600	14.8
275.20157	3.7
283.38486	2.6
285.22046	5.2
291.19467	27.6
297.22156	2.8
299.23660	13.2
321.22351	3.0
329.21237	3.7
342.21057	2.8
347.22290	4.3
365.23395	7.0
415.30023	3.8
421.25824	8.0
433.30988	14.2
451.32071	15.3
469.33353	5.7
507.34464	6.2
517.35327	27.5
525.35809	41.8
528.04114	2.8
543.36755	42.5
557.38922	16.5
575.38403	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.4
55.01852	14.8
55.05305	4.0
55.05511	44.4
57.03443	32.8
57.07059	4.5
57.46683	3.4
65.03926	9.4
66.72066	3.6
67.05183	7.1
67.05505	100.0
69.03424	9.1
69.07070	31.8
69.35622	39.7
69.85034	4.0
71.04978	15.2
79.05491	72.4
81.03420	52.1
81.07058	88.8
83.04967	18.1
83.08611	33.1
83.94621	4.3
85.02903	12.6
85.06556	24.3
91.04967	7.4
91.05485	82.3
93.07039	68.0
95.04964	75.8
95.08609	40.7
97.02859	5.4
97.06519	22.0
97.10174	11.1
104.41685	4.8
105.07031	56.4
107.04950	24.8
107.08601	48.8
109.06519	43.7
109.10139	23.1
111.04433	7.1
111.08080	11.9
113.05997	50.7
115.05492	4.5
117.07014	24.2
119.08586	45.4
121.06501	13.0
121.10135	21.0
123.08029	10.0
125.09608	9.0
128.06194	4.5
129.07002	24.2
131.08568	41.3
133.06493	7.2
133.10141	30.3
135.08067	40.2
135.11694	16.3
137.09613	4.5
141.07025	4.4
141.56107	3.6
142.07736	6.4
143.08553	17.1
145.06517	7.1
145.10114	25.8
147.08035	16.1
147.11697	21.6
149.09621	16.3
155.08546	6.3
157.10109	16.6
159.07983	4.9
159.11678	14.3
161.09586	13.3
161.13272	5.9
163.11137	11.4
164.18242	4.2
169.10123	4.8
171.11687	9.0
175.11205	14.2
177.12825	7.2
183.11607	5.8
185.13155	4.7
189.11159	6.7
193.12219	20.1
199.14882	5.5
201.12750	6.1
209.11691	10.3
211.13274	9.6
217.15848	12.1
219.13780	4.9
227.12772	16.1
227.18050	7.3
229.20241	4.2
237.16377	5.7
259.20496	6.2
267.15808	29.9
273.18497	42.9
275.20200	25.9
283.15363	7.5
285.16888	8.5
291.19528	66.2
311.19852	5.4
313.21567	7.2
315.19666	5.8
347.21967	10.3
365.23145	7.7
539.33777	7.5
547.03558	4.5
557.34875	30.5
575.35681	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	575.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03712	2.9
53.03947	11.8
55.01866	21.0
55.05513	58.7
57.03445	16.9
57.07078	3.7
65.03931	6.7
67.05507	100.0
69.03421	13.2
69.07069	52.0
71.04993	8.1
71.20428	5.9
79.05495	88.6
81.03429	51.3
81.07062	87.9
82.07404	3.6
83.04977	20.4
83.08619	27.8
85.02914	18.2
85.06552	5.4
85.12955	2.9
91.05484	87.3
93.07050	69.6
95.04969	41.3
95.08610	48.7
97.02900	7.3
97.06528	19.6
97.10174	26.3
103.05534	3.9
105.06383	5.0
105.07034	53.4
107.04959	26.1
107.08596	43.9
109.06483	16.7
109.10162	25.3
110.07140	2.6
111.04476	7.7
111.08063	7.3
115.05464	3.9
117.07055	23.1
119.08582	50.7
119.09375	5.1
121.06511	11.6
121.10129	24.0
123.04362	3.0
123.08079	11.5
123.11724	9.0
125.09619	20.4
128.06244	5.5
129.07001	17.2
131.08574	37.3
133.06488	8.9
133.10147	33.2
135.08067	12.6
135.11664	11.5
137.05977	3.8
137.09584	3.7
139.07466	3.3
142.07761	5.2
143.08562	11.9
145.06522	4.3
145.10147	24.8
147.04416	4.0
147.08089	12.3
147.11690	25.8
149.09595	13.6
149.13231	5.2
151.07655	2.7
151.11217	8.2
155.08522	2.9
157.10133	18.7
159.07991	3.9
159.11678	13.4
160.04924	2.9
161.09651	8.8
161.13277	8.3
163.11200	17.2
165.09088	3.5
165.12759	8.0
169.10133	3.6
171.11667	9.5
173.09676	4.6
173.13272	5.8
175.11145	13.1
177.12790	5.0
179.14319	4.2
181.12383	2.9
183.11766	4.3
185.13290	5.7
189.11244	15.6
191.07083	3.4
191.10690	3.1
191.38483	2.9
193.12291	27.2
195.11656	2.5
197.02740	2.9
197.13277	2.7
205.12354	3.6
209.11760	3.4
211.13290	26.3
219.13811	12.7
223.13266	14.1
227.12794	21.3
245.19002	5.1
249.14941	5.0
255.17538	3.0
257.19052	3.7
259.20505	6.4
267.15945	19.8
273.18567	24.6
275.20145	20.6
276.20462	3.3
283.15363	5.8
285.17078	4.6
291.19580	72.6
293.21039	4.0
299.15002	4.4
311.19983	3.2
313.21756	3.4
331.22827	3.0
347.22208	4.5
349.23615	5.9
365.23029	4.3
381.76019	2.8
465.22833	2.9
465.29507	4.6
477.28311	7.1
539.33807	5.9
557.34637	26.3
575.15692	4.7
575.35657	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.6
51.83969	1.9
52.40286	1.7
53.03934	9.1
55.01673	1.6
55.01875	20.7
55.05515	30.4
57.03421	8.5
57.07073	4.7
61.30954	1.9
65.03928	6.9
67.05507	79.7
69.03439	4.1
69.07068	30.7
69.89882	1.6
69.90221	12.9
71.04994	4.5
73.53867	1.9
77.03928	2.5
79.05496	98.9
81.02416	2.0
81.03422	12.3
81.07056	100.0
83.04985	15.3
83.08616	17.4
83.62735	2.1
85.06536	7.6
91.05482	82.4
93.07045	79.6
95.04971	26.6
95.08611	48.7
97.06548	27.4
97.10172	10.9
98.21520	2.1
99.08090	3.4
99.21313	1.8
103.05423	3.0
105.07030	81.1
107.04955	17.4
107.08591	33.1
109.06541	13.0
109.10152	14.8
111.08062	4.5
115.05481	3.9
117.07011	21.5
119.08588	52.0
121.06520	10.0
121.10129	14.0
123.08044	12.3
123.11697	5.8
125.09647	7.6
127.07459	2.7
128.06168	4.2
129.06992	20.0
131.08578	18.8
133.06502	4.1
133.10126	33.1
135.08076	9.4
135.11760	9.7
137.09579	4.4
142.07806	2.4
143.08556	10.1
145.10133	25.7
147.08064	5.9
147.11691	44.5
149.09616	16.3
149.13252	4.9
151.11211	3.6
155.08559	3.6
157.10092	3.7
159.11723	10.5
161.09621	6.3
161.13263	13.9
163.11176	8.9
163.14880	2.5
165.12766	4.5
169.10098	4.5
171.11688	24.9
173.13286	5.7
175.14825	2.5
177.12624	2.5
179.14314	4.8
183.11720	5.2
189.12766	9.1
197.43994	2.0
207.13806	14.6
227.12778	13.5
229.19476	3.8
239.17973	3.0
247.20482	4.6
257.18964	10.3
267.15887	2.6
275.20050	75.5
281.17484	33.2
293.21103	6.5
331.22607	2.4
349.23724	26.0
454.99182	2.2
475.30402	7.0
555.36847	24.9
573.38116	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	573.3032
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
55.05516	4.8
56.59737	4.0
57.03440	6.6
57.07071	23.2
67.05497	10.6
69.07078	9.6
71.08623	15.8
79.05512	5.2
80.21971	4.1
81.07052	10.3
85.10179	12.7
91.05471	5.9
93.07017	6.7
93.20530	4.0
94.35817	4.7
95.08596	16.4
97.10174	8.1
98.98476	26.4
105.07036	5.9
109.10121	7.5
132.66963	3.8
155.01038	21.7
230.54330	5.1
293.20981	6.4
313.27380	100.0
390.45987	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	573.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.0
55.01875	56.5
55.05508	26.1
57.03430	8.4
57.07076	4.2
65.03946	3.5
67.05507	55.4
69.07071	30.2
71.59185	6.4
74.53560	3.6
75.51733	3.0
79.05492	60.4
81.03423	12.4
81.07058	53.0
83.04988	15.0
83.08628	11.4
91.05479	70.6
93.07040	68.6
93.07555	6.0
95.04965	26.6
95.08601	39.9
95.09159	4.3
97.02913	4.3
97.06525	91.2
97.10179	5.7
99.08128	3.3
103.60835	3.2
105.07037	70.3
107.04960	27.5
107.08580	22.3
109.06559	6.7
109.10181	11.3
111.08096	5.0
117.07026	17.7
119.08565	33.4
121.06547	5.7
121.10146	11.3
123.08116	4.8
129.06996	11.6
131.08536	16.8
133.10127	35.1
135.08025	4.6
135.11722	9.5
137.09641	5.1
143.08543	4.6
145.10078	16.0
147.11676	29.7
149.09644	15.8
159.11734	8.1
161.09630	4.2
161.13251	11.1
163.11238	9.4
171.01337	3.6
171.11682	16.0
173.13312	6.9
177.12770	5.9
179.14349	11.7
185.13231	3.4
189.12741	4.7
207.13817	13.2
240.69740	3.8
257.19003	7.6
275.20059	100.0
277.36359	3.6
281.17450	43.1
293.21207	12.5
313.27386	7.0
349.23679	18.4
374.56012	4.0
387.05646	3.9
417.45535	3.8
555.36829	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
54.74442	1.0
55.01865	1.1
55.05498	3.6
57.03186	1.4
57.03437	15.3
57.72012	1.0
59.04982	1.5
62.96362	1.0
65.03914	1.6
67.05483	3.4
69.03434	8.0
69.07057	1.2
71.04992	88.5
71.27755	2.3
73.02892	2.0
75.04469	3.9
79.05492	1.6
81.03407	1.3
81.07041	3.4
83.04983	12.7
85.02904	100.0
87.04454	3.8
89.45513	0.9
91.05482	4.9
93.07050	7.6
95.04964	8.0
95.08578	3.2
97.02870	2.8
97.06510	2.3
99.04410	2.0
105.07018	8.7
107.04945	1.2
107.08570	3.7
109.06522	6.3
109.10130	4.1
111.04434	16.6
119.08567	7.4
121.02873	1.7
121.06499	5.3
121.10136	3.0
123.04392	1.4
123.08049	4.0
125.06008	1.7
127.03915	2.3
128.06194	0.9
129.05479	23.6
129.06966	1.7
131.08575	3.5
133.06432	2.1
133.10089	5.1
135.08043	4.6
137.06021	1.7
137.09583	3.7
139.07552	1.0
142.07768	2.0
143.08588	2.7
145.06447	2.1
145.10139	5.1
147.06506	4.3
147.08020	4.0
147.11681	2.7
149.05975	1.1
149.09669	1.5
151.07437	1.0
153.01732	1.1
155.10652	2.7
157.10100	6.7
159.08022	4.3
159.11638	6.7
159.88458	1.1
161.09634	7.2
163.07588	1.3
163.11160	1.3
165.09097	1.8
171.07942	1.1
171.11749	1.4
172.08849	2.6
173.09665	4.8
173.13208	4.0
175.07555	2.1
175.11142	4.3
177.05405	1.5
183.11694	2.4
185.13235	2.1
187.11096	5.4
189.09091	5.9
189.12703	1.0
193.10196	1.2
195.31274	1.0
196.08809	1.9
197.10899	1.0
199.11134	3.9
201.12837	6.0
203.10651	10.8
205.12230	3.1
207.10077	2.3
211.11218	4.7
217.12216	5.9
219.13779	3.0
229.12222	8.9
235.13210	2.0
247.13289	54.4
265.14337	21.4
409.18396	12.6
482.00989	1.1
484.24869	1.2
519.22455	1.8
603.45233	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48198	13.2
53.59180	12.1
57.07065	30.8
69.49982	40.2
69.50403	75.3
70.62181	11.1
71.08643	35.9
85.10198	33.2
89.06013	100.0
107.04902	11.6
115.97774	11.8
116.99988	13.4
131.88766	13.2
133.08617	30.4
175.59348	13.6
182.84485	17.5
259.35788	13.4
268.64139	12.4
303.93350	14.0
313.27505	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	573.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.4
55.01861	1.9
55.05497	3.2
57.03436	12.7
59.05000	1.7
67.05487	3.1
69.03429	9.8
69.07063	1.4
69.54721	3.0
69.55140	6.3
71.04990	91.8
73.02911	1.1
75.04466	2.7
79.05504	2.4
81.03396	1.6
81.07030	2.9
83.04991	9.1
85.02901	100.0
87.04456	2.1
91.05456	4.6
93.07019	7.2
95.04965	10.3
95.08595	5.1
97.02869	3.0
97.06512	2.0
105.07024	10.4
106.92934	1.1
107.08593	5.1
109.06506	9.4
109.10137	3.8
111.03717	1.4
111.04439	15.8
111.08054	1.7
113.05956	1.3
117.07006	2.3
119.08570	10.2
119.49689	1.1
121.06471	5.3
121.10100	3.6
123.08035	2.9
127.03828	2.7
129.05475	23.1
130.07765	1.4
131.08534	3.4
133.10115	5.2
135.08035	4.4
137.05952	3.2
137.09619	2.6
139.03833	1.5
141.06871	1.1
142.07739	1.2
143.08524	4.0
145.06499	2.6
145.10147	8.1
147.06502	3.1
147.08038	4.0
147.11658	3.3
149.09503	1.2
155.10652	3.2
156.04721	1.2
156.09370	1.2
157.10112	5.0
158.07266	1.4
159.08035	4.8
159.11688	4.6
161.06064	1.6
161.09607	9.3
163.07532	1.4
163.11119	1.3
165.09070	1.7
171.08092	1.4
171.11726	1.7
172.08812	2.0
173.09595	4.3
173.13206	4.4
175.07494	2.8
175.11182	6.0
183.11708	2.8
185.09596	1.6
185.13319	1.6
187.11160	4.5
189.09097	4.5
189.12671	1.2
199.11206	4.0
201.12703	4.8
203.10605	10.2
205.12225	3.2
211.11176	3.6
217.12230	6.7
219.07930	1.2
219.13837	2.7
229.12192	7.3
235.13330	2.9
247.07697	1.6
247.13281	49.2
265.14340	19.3
284.13016	2.8
393.19205	1.4
409.18533	13.5
427.19418	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.8
55.01868	19.7
55.05269	4.7
55.05512	71.1
55.33035	4.8
55.37486	4.2
56.77994	4.1
57.03387	3.9
57.07060	12.8
63.39017	4.1
65.03925	8.4
67.05509	95.7
69.07069	55.9
70.02117	23.8
71.05001	5.0
74.34306	4.1
74.54732	4.3
79.04995	5.6
79.05478	64.8
81.07053	95.0
83.04974	11.0
83.08620	38.3
91.05483	56.9
93.07055	64.6
95.04985	11.1
95.08601	68.0
95.59081	4.6
97.06512	21.9
97.10172	37.4
105.07023	63.7
107.04967	5.2
107.08602	54.2
109.06512	6.4
109.10152	37.3
115.05475	5.5
117.07010	49.9
119.08578	59.5
121.10130	28.1
123.08106	6.5
123.11714	8.7
125.09614	26.6
128.06187	4.5
129.06961	21.6
131.08577	73.6
133.10136	44.4
135.08003	5.7
135.11702	22.4
141.07001	7.0
142.07794	5.5
143.08542	28.2
143.94188	3.9
145.10120	63.5
147.11708	23.3
149.13242	9.0
151.11166	4.0
155.08521	15.6
156.09325	5.5
157.10121	27.1
159.11679	44.5
161.13277	20.3
169.10124	16.3
171.11708	25.3
173.13268	38.5
175.14787	8.8
183.11662	16.1
185.13269	15.6
187.11098	4.5
187.14833	16.4
189.11220	17.9
189.16490	5.6
195.11649	5.8
197.13202	11.6
199.14784	13.5
201.16393	10.2
203.17972	5.4
209.13309	7.3
211.14952	4.6
213.16422	9.7
215.17892	14.9
218.97302	4.2
227.17949	6.9
229.19472	5.7
239.17812	5.6
241.19514	5.4
243.21211	5.1
275.20175	5.3
277.21729	6.7
297.21860	5.1
315.23184	11.3
341.24887	5.2
367.29938	11.8
383.33313	7.4
385.31024	100.0
459.34766	8.0
476.45984	4.5
513.39703	4.9
517.40399	13.1
535.41443	26.8
553.42517	67.7
571.35437	7.4
571.43567	71.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.6
53.03934	2.7
55.01867	4.4
55.05260	1.1
55.05509	14.2
57.03431	2.4
57.07053	1.0
65.03927	2.1
67.05505	30.4
69.03438	4.5
69.07070	17.9
70.90861	0.6
71.04979	1.6
71.32671	1.0
73.06546	0.8
77.03914	0.9
79.05493	35.5
81.03429	3.9
81.06578	1.4
81.07056	24.3
83.04973	5.7
83.08616	6.1
85.06533	1.2
88.07637	1.5
91.05481	27.1
92.64381	0.6
93.07043	25.3
95.04967	12.7
95.08605	14.0
97.02882	4.6
97.06519	4.1
97.10168	5.8
102.09134	0.7
103.05454	1.5
105.03368	1.0
105.04510	1.3
105.07030	21.5
107.04959	7.8
107.08598	11.7
109.06516	3.4
109.10148	5.3
111.08056	2.0
115.05421	1.5
117.07010	6.7
119.04951	1.3
119.08580	13.7
120.08944	0.7
121.06515	2.1
121.10135	4.2
123.04435	0.8
123.08096	4.9
125.06036	0.7
125.09626	4.7
129.07011	9.1
131.08565	6.2
133.06491	2.7
133.10133	4.8
135.08081	1.9
135.11710	2.3
136.32867	0.7
137.09621	1.1
141.06984	0.9
143.08571	5.3
145.06332	0.7
145.10139	7.4
147.08066	4.1
147.11681	10.9
149.06003	3.9
149.09639	2.0
149.13258	1.4
150.06300	1.2
155.08557	1.4
156.09367	1.0
157.10139	2.4
159.11710	2.1
161.09601	3.9
161.13249	4.7
163.11171	1.2
165.09128	2.0
168.27489	0.7
169.10127	1.2
171.11685	10.5
175.11198	2.5
177.12762	1.8
179.14342	1.0
183.87054	0.7
185.09576	0.8
185.13261	0.8
187.11087	0.9
189.11217	2.7
189.12799	4.0
195.13829	1.4
205.12209	1.6
207.13797	8.7
209.13342	1.4
223.13274	8.6
225.14854	1.7
225.16943	0.7
227.12709	1.6
237.16478	0.8
245.19023	1.9
249.14911	1.6
256.26382	2.3
257.26721	2.5
273.18484	16.5
275.20071	1.4
281.17453	3.0
291.19531	66.4
327.23184	0.9
341.10223	2.0
342.10733	3.0
347.22107	1.9
365.23257	1.2
376.48715	0.7
433.25540	0.8
553.34967	1.8
571.36127	100.0
572.37018	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	571.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45986	3.1
53.03939	12.9
55.01866	10.6
55.05516	23.5
56.09075	2.4
57.03436	26.3
57.07088	4.3
64.16986	2.5
65.03934	6.9
67.05503	96.2
69.03422	6.4
69.07069	22.9
70.19743	10.0
71.04987	3.8
79.05495	87.6
79.05956	4.8
81.03408	16.5
81.07059	67.8
82.48354	2.6
83.04967	12.9
83.08606	16.5
85.06532	22.0
91.05480	76.6
93.07047	66.4
95.04970	70.2
95.08600	37.3
97.06517	13.6
97.10194	9.4
103.05502	3.1
105.07034	64.3
107.04957	20.8
107.08588	31.2
109.06514	66.5
109.10156	12.5
111.08088	5.6
113.06013	47.3
115.05459	5.9
117.07030	30.0
119.08568	32.0
121.06531	7.7
121.10120	9.8
123.08083	9.8
125.09626	3.3
128.06223	6.3
129.06981	22.5
131.08551	28.2
133.06479	6.3
133.10126	20.5
135.08052	46.9
135.11681	12.0
137.09592	3.4
141.07002	5.2
142.07780	3.8
143.08568	20.8
145.06444	8.1
145.10124	27.0
147.08029	11.5
147.11679	24.9
149.09601	10.3
149.13211	5.0
155.08545	8.5
157.10104	14.4
159.08066	4.9
159.11728	16.6
161.09665	14.9
161.13272	13.5
163.11185	7.0
165.09016	3.7
169.10115	5.0
171.11684	24.8
173.09561	3.2
173.13214	6.5
175.11183	3.9
177.12772	4.7
183.11659	8.6
185.13223	5.8
189.12819	8.1
195.13846	3.4
197.13278	4.3
199.11214	3.3
199.14822	9.3
201.12781	3.9
204.66971	2.6
207.13823	9.2
208.31938	3.0
209.13329	5.1
211.14795	3.1
217.15929	19.2
223.13225	3.6
227.17917	4.3
237.16428	4.1
245.19054	3.5
255.17389	5.4
273.18488	56.8
275.20056	5.5
279.15967	8.0
281.17465	11.3
291.19513	100.0
303.06427	3.0
347.22192	6.8
480.35938	3.4
553.35413	8.8
571.36865	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87869	0.5
55.01870	0.9
57.03434	0.8
58.51504	0.5
61.02924	1.5
67.05503	0.8
69.03430	2.6
69.84171	2.8
70.06596	0.7
71.04990	0.6
73.02918	0.8
74.06094	0.9
80.69656	0.5
81.03407	1.5
81.07061	0.5
82.06578	1.7
83.08598	0.6
85.02905	2.5
91.05470	0.6
94.06584	2.5
97.02897	1.5
100.88134	0.5
136.07564	0.7
156.93440	0.5
165.57849	0.6
193.12227	1.0
198.07961	0.9
199.08684	3.0
210.07855	0.8
211.08754	1.8
212.09470	1.7
213.06715	0.8
213.10222	4.2
221.17287	0.7
225.06671	1.3
225.10249	3.7
226.07364	0.5
227.08234	2.2
238.07668	0.6
239.08177	4.4
239.11766	2.5
240.08929	5.4
241.09720	8.6
241.67923	0.6
242.10602	1.0
243.11369	1.5
248.16492	2.3
249.16789	1.7
251.11874	0.5
252.08908	0.8
253.06006	0.8
253.09741	9.3
254.10512	1.3
257.09369	1.7
257.12787	0.6
258.09888	0.9
259.10828	2.1
266.06845	0.7
266.10852	0.6
267.07794	2.4
267.11340	5.9
268.08432	11.1
268.11270	0.9
268.16296	0.7
269.09244	1.5
269.12769	1.0
271.10788	6.9
272.11533	0.7
273.12323	4.3
274.13092	0.7
280.08450	0.5
281.09158	2.4
282.10065	1.8
285.08734	1.9
285.12369	1.6
285.16959	1.0
286.17444	1.6
295.10757	7.5
297.12180	0.9
299.10269	0.6
299.13730	0.7
300.11200	2.3
301.11853	1.2
308.07959	0.7
313.11713	4.8
317.11356	1.2
318.12100	3.4
319.12979	1.0
323.10269	9.2
326.09006	0.7
327.13422	1.8
331.12808	1.0
335.12775	0.8
340.21323	1.2
341.11334	24.0
341.21576	1.3
342.12088	0.6
345.14380	1.2
355.12888	10.8
355.16821	0.9
359.12469	1.5
373.13943	21.0
377.23834	0.6
391.14993	23.1
409.16037	5.7
433.16269	1.1
502.34763	0.6
539.28821	1.1
553.20111	4.5
571.21375	100.0
572.21637	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	571.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	3.7
55.01881	3.5
58.21092	1.4
59.59663	1.6
62.33299	1.6
65.03947	1.6
66.86519	1.4
68.99776	6.1
69.03416	4.2
71.04990	5.1
71.58455	3.3
73.02913	1.5
73.69653	1.6
81.03422	10.4
81.07050	2.4
85.02914	9.1
87.00817	5.2
91.05453	3.8
94.04178	2.6
95.04957	4.9
97.02872	7.4
99.04452	3.1
103.05463	8.7
105.07023	2.6
107.04919	2.8
109.02877	8.7
111.04433	13.9
115.05459	2.0
117.07038	2.8
122.03645	7.9
123.04440	5.3
125.02264	1.6
127.03937	4.9
128.06232	3.9
129.06993	5.5
131.04922	22.5
135.04419	3.5
135.08009	2.3
137.02327	2.8
137.05977	100.0
139.03912	3.4
141.06990	3.7
143.04933	2.0
145.06487	5.0
146.03575	1.6
149.05972	2.3
151.03885	3.1
151.07538	20.1
153.01788	3.3
157.06468	7.1
158.07236	1.8
159.02785	1.6
159.07964	2.4
160.05141	4.3
161.05945	7.8
163.07541	13.4
165.05441	11.0
165.06763	2.0
165.09059	3.4
169.06349	1.7
171.02927	6.3
171.08055	2.4
174.06776	6.3
175.07555	22.1
177.05453	3.1
179.06979	4.5
179.08571	1.5
181.04948	7.7
181.06393	1.7
184.05228	5.5
185.05997	3.7
187.07547	6.3
189.05511	2.8
189.09079	11.5
190.06305	1.6
191.06999	11.9
191.63817	1.7
196.04988	1.8
197.04414	3.7
197.05978	4.0
197.21614	1.7
198.06728	2.1
199.07558	6.6
201.05447	3.2
201.09103	3.1
202.06316	3.0
203.07063	13.9
205.08513	2.8
211.07637	2.0
212.04704	11.4
213.05461	2.3
213.09013	2.0
215.06964	4.0
217.08556	12.3
227.07018	54.1
228.07690	2.7
229.08592	3.9
233.08078	2.9
241.08502	2.9
245.08058	15.5
249.05518	1.8
257.08029	1.8
276.94266	1.6
287.09213	2.1
293.27756	1.6
295.09760	2.8
321.11166	2.6
371.14902	2.0
383.14685	2.1
385.12860	11.4
389.13654	4.6
395.14899	2.1
399.12161	2.6
403.14508	2.8
413.13867	2.0
421.16409	3.0
425.15814	2.3
431.14725	6.8
449.15915	35.0
467.17072	24.6
553.17285	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	571.1598
Annotation	4,4',6,6'-Tetramethoxy-[1,1'-biphenanthrene]-2,2',3,3',7,7'-hexol
Peak:m/z	Relative Intensity
50.43721	1.1
54.50313	1.0
55.05505	2.8
61.78989	1.1
67.05508	4.2
69.07072	1.5
69.51070	1.5
69.51472	6.9
74.78526	0.9
79.05490	3.9
81.03425	1.6
81.07060	3.9
83.04959	1.5
86.83516	0.9
91.05483	3.2
93.07059	2.6
95.04963	2.5
95.08608	1.5
100.43340	1.1
105.07045	3.0
107.04955	10.0
107.08611	2.7
109.06524	1.0
109.10190	1.1
115.24567	0.9
115.79298	1.0
117.07030	1.5
117.22449	1.0
119.08595	1.7
121.10217	1.2
123.04450	6.8
129.07001	1.1
131.05051	1.0
131.08604	1.2
133.10150	2.2
135.04431	1.1
137.02385	4.6
138.03137	3.1
139.07513	1.5
141.06989	1.2
143.08553	1.5
145.10133	1.5
147.04439	2.4
153.01851	2.2
153.05482	6.8
157.10149	1.9
166.02649	2.6
167.03400	1.4
167.07072	2.0
168.05710	1.4
181.04956	16.9
181.06496	1.2
196.05318	2.0
197.06056	2.7
199.03931	1.0
203.03482	1.4
213.05513	2.2
214.06114	1.6
221.15404	2.1
224.04729	1.2
225.05554	4.0
228.04132	1.0
229.04993	1.7
241.04964	1.6
242.05682	1.9
243.06534	1.7
247.07553	2.1
253.04938	2.0
257.04541	7.2
257.07944	2.3
259.07596	3.1
260.08392	2.3
270.05188	1.8
271.05872	2.5
273.18558	1.8
285.04324	1.4
285.07535	19.1
286.08313	6.2
287.06976	4.7
288.07770	5.6
289.08685	1.1
299.06985	1.8
300.07861	3.2
301.08667	1.9
303.10226	2.4
305.07959	1.4
312.07962	1.7
313.08771	1.7
314.09131	1.2
315.06543	4.2
316.07379	9.7
317.08176	2.4
327.06689	2.1
328.07401	3.5
329.08096	3.0
330.09076	1.8
331.05981	2.8
331.09747	8.5
332.06876	1.3
333.07666	2.2
337.08551	1.1
341.08127	1.6
343.05917	2.2
343.09702	2.0
344.06821	7.9
345.07635	3.8
356.06799	1.3
357.07413	2.1
358.08377	3.2
359.05060	1.0
359.09210	15.7
360.06033	2.1
360.10126	1.8
361.07266	2.9
362.08136	1.3
373.10947	1.7
374.07828	1.2
375.08737	2.6
376.09729	4.7
385.06998	1.5
389.10263	3.8
391.11969	10.4
405.09775	1.9
407.09763	1.3
425.10339	1.5
435.08740	2.4
436.09448	1.3
453.09903	2.1
462.13333	1.3
463.08356	2.5
466.06705	3.2
480.08453	1.5
481.09354	3.1
493.09344	1.9
495.11307	1.5
507.10892	1.8
508.11478	1.8
509.08743	4.1
511.13364	2.4
513.12012	2.8
524.10992	2.0
539.13440	5.7
540.13806	3.0
543.16565	55.4
556.13367	5.3
571.15973	100.0
572.15948	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1595
Annotation	4,4',6,6'-Tetramethoxy-[1,1'-biphenanthrene]-2,2',3,3',7,7'-hexol
Peak:m/z	Relative Intensity
52.52742	1.4
53.03959	1.6
55.01870	2.0
55.05502	6.0
57.03424	5.1
65.03949	1.6
67.05505	14.1
68.99435	1.5
69.07068	3.6
69.53452	12.5
79.05499	11.2
81.03384	3.0
81.07055	8.3
83.04984	2.1
83.08608	2.1
84.47505	1.4
91.05469	11.5
93.07034	12.1
95.04963	11.1
95.08607	6.6
97.06516	1.9
97.10176	1.7
98.20808	3.2
105.07027	7.1
107.04958	3.7
107.08580	5.6
109.02882	1.6
109.06526	10.6
109.10224	3.0
109.74886	1.5
111.29371	1.5
113.06025	5.0
115.05444	2.3
117.07005	2.9
119.08591	6.4
121.10135	3.4
123.04447	3.2
123.79698	1.6
123.87713	1.5
128.06256	2.3
129.06978	3.8
131.08611	4.3
133.10155	4.0
135.08054	5.5
135.11687	2.2
137.02357	6.8
138.03145	3.8
141.07063	1.8
143.08563	2.8
145.10126	3.6
147.07968	1.9
147.11778	2.0
153.01848	2.9
153.05417	12.2
155.08571	6.1
157.06491	1.8
157.10153	3.7
159.11777	1.6
161.09671	2.5
161.13341	1.6
165.07004	3.9
166.02640	3.6
167.03481	2.7
168.05745	2.2
169.06587	2.4
171.11682	2.6
181.04962	39.1
181.06497	3.8
183.08075	5.6
197.06036	4.2
209.06018	4.7
210.06801	6.0
211.07559	35.7
213.05568	3.1
217.08659	1.6
217.15958	2.7
221.15421	2.2
225.05450	3.0
226.06041	2.0
227.07062	4.8
270.05566	1.9
272.08594	1.6
273.09000	3.0
273.18582	6.7
274.06409	2.4
285.07440	12.6
287.06885	2.1
288.07700	2.2
291.19501	8.8
301.08652	2.7
303.06433	2.0
315.06635	3.6
317.08109	2.1
328.07352	3.4
329.08035	2.8
330.08862	3.7
331.06094	1.9
331.09720	3.0
333.07727	4.6
340.07278	2.0
341.08047	2.4
343.06204	2.9
344.06952	3.0
345.07678	4.3
346.08560	1.8
347.09189	3.0
356.06955	2.8
357.07715	3.1
358.08224	3.6
359.09271	5.2
361.06918	3.3
361.10907	3.1
363.12274	8.3
373.06860	3.4
373.11032	3.2
374.07913	5.5
375.08780	4.3
376.09537	7.4
389.10281	9.0
391.11621	16.3
417.09888	8.7
453.09705	2.4
462.13428	6.4
478.09851	2.0
495.10251	2.3
507.10712	2.5
508.11481	2.3
511.13992	2.9
513.11542	2.4
539.13324	3.8
540.14386	2.3
543.16467	53.9
556.13684	3.3
571.15991	100.0
571.36188	3.8
572.16217	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	571.1596
Annotation	4,4',6,6'-Tetramethoxy-[1,1'-biphenanthrene]-2,2',3,3',7,7'-hexol
Peak:m/z	Relative Intensity
50.05788	1.2
55.05504	1.6
63.37357	1.1
65.03928	1.5
67.05504	5.1
69.07044	1.1
79.05489	2.6
81.03421	1.6
81.07060	3.4
91.05490	5.4
93.07042	3.5
95.01324	1.7
95.04948	3.1
95.08603	1.9
97.10149	1.5
98.20715	2.3
102.09888	1.1
105.07040	1.9
107.04952	2.7
107.08585	1.6
109.10169	1.6
119.08619	2.3
121.02817	1.6
121.06451	1.8
123.04420	6.4
129.07040	2.7
131.05008	1.3
131.08559	2.1
133.10086	1.6
137.02342	4.8
138.03099	2.3
141.06993	2.7
145.06491	1.4
145.10141	1.5
147.04431	1.3
151.03964	2.1
153.05423	5.5
157.06451	2.0
164.04771	1.2
165.05464	1.2
166.02658	1.3
167.03534	2.2
168.05678	1.5
169.06508	2.4
179.03474	1.7
181.04991	7.6
181.06396	2.3
184.05205	1.7
185.06027	4.7
196.05145	1.5
197.05965	6.2
201.05522	2.0
202.06232	1.4
209.05975	4.9
210.14645	1.2
211.07523	2.6
212.04640	1.9
213.05457	8.2
214.06233	3.6
219.08147	1.3
223.07616	1.8
224.04695	3.1
225.05540	4.8
226.06244	1.8
227.06973	1.7
228.04266	2.6
229.04991	2.0
237.05486	8.6
238.06238	2.5
239.07050	3.1
240.07706	1.7
241.05046	2.7
242.05798	4.6
243.06540	3.7
246.06802	1.0
247.07616	5.1
250.06224	1.4
251.07083	3.0
253.04958	4.5
255.06279	1.6
256.03714	2.4
257.08109	1.7
260.08319	2.4
266.05606	1.8
267.06570	4.8
269.04605	2.8
270.05231	7.0
271.05978	4.6
271.08014	3.1
273.07523	3.3
274.06277	1.4
275.07208	2.6
275.20139	1.3
276.07623	1.2
283.09775	2.0
284.08289	1.5
285.07516	50.2
287.06998	6.0
288.07800	2.4
289.08673	2.3
297.07733	1.4
299.07047	7.8
300.07791	6.2
301.06891	14.6
302.06003	1.8
302.09375	2.8
303.06595	4.1
303.10065	1.8
305.08160	2.1
312.07965	1.5
313.08569	4.2
314.09476	2.2
315.06604	4.3
315.09946	1.7
316.07285	3.3
317.08252	3.5
321.07147	1.7
327.06638	4.2
328.07303	4.3
329.08200	4.8
330.09036	3.7
331.06003	2.8
331.09775	4.0
332.06683	1.4
333.07736	3.4
340.07376	1.4
341.08047	3.4
342.08823	1.8
343.05878	1.6
343.09662	1.4
344.06964	2.2
345.07550	7.7
346.08389	2.0
347.09286	2.6
356.06815	2.6
357.07639	4.7
358.08350	4.3
359.05423	1.8
359.09100	6.9
360.10098	1.8
361.07254	3.8
363.59479	1.5
373.06964	3.2
373.10797	4.3
374.07739	6.6
375.08649	4.6
376.09326	8.1
384.06204	2.8
385.06598	2.1
386.07990	1.8
389.10367	4.0
391.11844	24.4
401.06387	2.1
402.07159	7.7
403.08258	3.0
417.09726	52.9
418.10248	2.1
435.08740	2.3
439.08096	1.7
447.10742	3.8
450.11313	1.6
453.09964	1.6
455.97012	1.3
461.12344	3.6
462.13284	7.9
464.09009	1.5
479.11578	1.5
495.10721	1.7
511.14142	4.0
513.12207	2.4
525.15033	1.3
527.12988	1.4
539.13483	6.5
540.14612	1.2
543.16516	100.0
556.13715	4.3
571.15973	55.3
578.87292	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1596
Annotation	4,4',6,6'-Tetramethoxy-[1,1'-biphenanthrene]-2,2',3,3',7,7'-hexol
Peak:m/z	Relative Intensity
55.01875	1.7
67.05503	1.4
69.37179	8.0
79.05473	1.9
83.04975	0.9
91.05482	2.2
105.07043	1.3
107.04966	2.3
123.04438	3.0
129.07018	1.9
133.02847	2.2
137.02330	3.7
137.06012	1.3
138.03156	6.4
147.04364	1.7
151.03938	2.3
153.01894	2.5
153.05492	14.8
153.06989	3.4
155.08569	6.2
157.06546	1.2
163.03947	1.2
165.01964	1.4
165.05649	1.3
165.06955	5.0
166.02580	1.6
167.03435	2.6
167.07057	1.8
168.05679	2.3
169.06485	1.8
170.02058	1.2
177.05507	1.2
181.04982	11.7
181.06528	3.0
182.05312	1.5
183.08052	12.8
193.06482	1.6
197.05998	3.1
202.06367	2.2
209.06053	2.8
210.06831	3.9
211.07550	48.7
212.04773	1.5
213.05548	2.8
214.06267	1.5
217.08665	3.7
221.06068	1.1
223.07596	2.2
225.05460	2.5
226.06007	0.9
227.07013	2.9
231.08147	2.2
237.05507	2.2
242.05690	1.4
249.08923	1.0
253.04912	1.1
259.07553	3.6
261.09369	1.2
271.05905	1.8
273.09042	1.4
274.09741	1.3
275.07147	2.0
277.08554	2.6
279.54779	0.9
285.07352	9.3
287.07031	3.1
289.08701	1.5
299.06870	1.5
300.07751	1.4
301.08435	2.2
303.10083	1.1
305.07971	1.6
313.08627	2.0
315.06601	3.2
316.07169	2.3
317.08139	3.0
319.06198	1.4
329.08075	2.5
330.08942	3.0
331.06143	1.2
331.09732	3.5
332.06500	0.9
333.07526	4.3
335.12799	1.6
343.05978	2.1
344.06805	2.7
345.07672	2.5
345.11377	2.1
347.09299	1.9
348.09949	2.2
357.07596	1.4
358.08624	2.6
359.05319	1.7
359.09116	6.4
360.06372	1.3
361.06821	4.5
363.08215	1.6
363.12332	15.9
373.11090	1.3
374.07974	2.2
375.08786	3.3
376.09406	7.8
389.10287	3.0
391.11838	23.4
407.08786	1.0
449.10260	2.0
453.09851	2.5
481.08948	1.6
485.12650	1.1
495.10846	2.5
497.12216	1.1
498.09207	1.3
511.14005	2.1
513.11896	3.8
528.14008	2.9
539.13391	3.3
540.14142	1.9
541.11053	1.1
543.16541	100.0
544.17120	2.0
556.13641	4.4
571.15936	90.9
572.16125	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.1
55.01856	0.6
55.05497	0.8
57.03432	1.4
59.01390	0.6
62.54407	0.6
64.47076	0.6
67.01857	1.1
67.05505	1.1
68.99781	1.2
69.03429	3.2
70.71606	2.1
71.04974	1.0
79.01855	4.4
79.05486	1.2
81.03413	8.2
81.07037	1.6
85.02910	3.9
88.34013	0.5
88.71233	0.6
89.62167	0.7
90.52806	0.6
91.05478	1.4
97.02902	6.7
98.21416	0.7
103.03954	0.7
103.05482	2.1
105.06992	0.9
107.01294	2.1
107.04963	0.9
107.08587	0.8
109.02863	4.6
109.10210	0.7
117.07027	0.6
119.08607	0.7
123.04362	0.9
125.02373	4.5
127.03912	5.9
129.01819	0.8
131.04948	5.4
139.03940	1.1
142.07889	0.6
143.03400	7.3
143.08470	0.6
147.04424	0.9
151.03867	1.2
153.01830	100.0
153.55173	0.6
154.02126	1.1
163.03955	0.8
167.06999	0.7
171.02893	20.7
183.02872	1.1
191.03409	1.4
195.02907	7.8
199.98236	0.7
215.07037	0.7
219.03017	1.0
257.08081	20.0
261.03949	1.8
269.07944	1.6
281.08139	2.1
297.06076	7.0
299.09103	5.0
315.07224	1.9
323.09244	2.8
347.09390	0.9
365.10297	3.4
401.12225	1.0
430.17587	1.2
458.58585	0.8
560.29041	0.8
571.14966	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86958	2.8
56.96558	12.9
69.52671	2.7
71.57826	4.4
84.96010	3.0
89.03970	4.1
95.82838	2.8
98.97601	8.1
100.63490	2.8
101.00889	5.3
116.98612	8.3
117.03383	5.3
119.01942	31.7
119.04969	3.2
121.56931	2.9
131.01927	10.3
133.03484	6.7
134.99672	3.7
137.02983	8.1
142.03429	3.4
143.01910	20.4
145.03552	7.8
147.04390	5.8
149.02965	3.2
155.01881	14.5
157.03503	11.1
159.04929	2.8
161.02948	39.5
167.01884	7.7
169.03520	6.6
171.05061	8.3
173.02971	35.8
175.04549	5.3
177.00700	3.4
177.02269	3.0
177.05457	16.8
179.01994	3.2
183.03328	3.4
184.04570	3.6
185.02957	46.5
187.00914	7.3
187.04486	6.1
189.02390	4.1
197.02960	21.5
203.04025	20.3
215.04044	11.6
215.93179	3.0
217.01808	4.5
221.05099	5.7
227.04076	6.5
231.03542	4.4
233.04933	3.2
245.05074	100.0
245.07484	6.0
246.05141	4.7
247.02968	4.6
251.02383	12.7
257.05206	3.7
263.06152	13.5
265.72101	3.1
269.03244	15.7
275.06134	12.2
287.04422	12.3
289.04108	12.7
293.07230	6.5
301.04214	3.7
305.04053	4.2
305.07202	12.4
307.05109	12.1
311.04382	3.9
319.05139	4.9
323.04611	4.4
335.04324	4.9
335.08069	5.5
347.04575	6.4
349.06134	8.1
365.01736	5.0
365.09219	13.2
383.02826	7.6
391.07187	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	571.1235
Annotation	3'''-O-Methylfukugetin
Peak:m/z	Relative Intensity
50.07936	0.7
53.03952	0.7
55.01843	0.7
55.05498	1.3
67.05505	2.1
71.10959	1.7
79.05497	1.2
81.03394	1.3
81.07044	3.1
90.52872	0.7
91.05480	2.1
93.07026	1.9
95.04961	1.3
95.08587	0.9
96.61885	0.7
105.07010	1.9
107.08604	1.6
109.02853	1.2
109.10157	1.2
117.07020	0.7
119.08565	1.1
123.04431	0.8
127.03889	1.1
129.06982	1.1
133.10133	1.2
135.04309	0.8
137.01350	1.3
137.02347	16.6
139.03873	0.7
147.04333	1.1
171.04344	1.4
179.03378	1.2
181.04935	1.2
185.06047	0.7
197.06001	1.8
213.05557	1.4
214.06276	1.1
215.07051	0.9
223.03810	0.9
225.05363	1.2
229.04994	1.6
237.05508	2.8
239.07065	0.9
241.04987	1.1
242.05667	1.9
243.06487	1.5
250.06276	1.7
253.04936	2.7
255.02805	1.1
257.08087	1.6
265.04999	1.1
269.04443	5.9
270.05200	7.6
271.05972	3.7
275.07047	1.0
277.05060	1.2
285.07629	9.5
286.08289	3.2
287.05383	7.6
297.04074	1.0
299.05243	0.9
299.09091	0.9
300.07733	1.2
301.07288	1.0
302.05682	1.4
303.06589	1.9
305.04260	1.8
307.05957	1.2
319.06128	1.3
327.06543	1.1
328.07333	1.1
329.08127	1.2
330.05475	0.8
331.05789	2.0
332.06625	0.9
333.07553	1.6
335.05377	1.4
345.07495	1.9
348.06241	1.4
356.06754	1.3
357.07578	1.0
358.04572	1.0
359.05371	2.2
359.09244	0.9
360.06116	1.2
361.03336	1.9
361.07208	2.1
373.07092	0.8
374.07813	1.8
376.05569	1.5
377.06631	6.8
378.07404	2.0
379.04492	1.2
384.06381	0.9
385.07019	1.0
387.04929	1.4
389.06470	2.7
391.11780	2.7
401.06296	3.4
402.07202	2.6
404.05176	2.9
405.05688	1.3
417.09976	15.7
418.06601	1.2
419.07547	2.7
421.05338	1.5
439.08127	1.2
447.07004	1.0
462.13440	1.7
465.09998	0.8
467.07397	1.2
481.09149	0.9
485.09009	1.0
495.06909	0.9
497.11841	0.8
513.08112	3.7
538.08746	1.9
541.07410	2.4
543.16614	10.3
555.09198	1.5
556.09351	3.6
571.12268	100.0
571.30170	3.6
572.12689	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	571.1234
Annotation	3'''-O-Methylfukugetin
Peak:m/z	Relative Intensity
51.07389	0.5
51.46628	0.4
52.03569	0.4
53.95005	0.4
55.05499	0.6
63.20400	0.5
63.34735	0.5
67.05496	1.2
68.99790	1.1
69.07059	0.6
70.19492	1.8
79.05505	0.6
81.03427	1.2
81.07033	1.1
86.09703	1.2
91.05479	1.1
93.07058	0.7
95.04941	0.6
95.08620	0.9
98.21404	0.8
101.14620	0.4
105.07026	0.8
105.91305	0.5
107.04919	0.9
107.08570	0.5
109.02822	0.6
111.04372	0.7
118.98576	0.6
119.08549	1.0
121.10154	0.5
123.04423	1.2
124.99986	1.0
127.03925	1.0
133.44963	0.4
135.04443	0.5
137.02342	15.8
137.03398	1.1
137.05975	1.5
139.03920	1.0
147.04407	0.8
161.02438	0.5
163.03935	0.6
171.04449	1.8
184.07356	3.8
197.06017	0.7
199.03918	0.6
213.05522	0.9
224.04745	0.6
225.05420	0.5
229.05017	1.1
237.05585	0.6
242.05768	1.0
243.06599	0.9
249.05588	0.7
253.04985	2.2
255.02898	2.3
257.08072	1.1
258.05087	1.0
261.05594	0.5
266.05511	0.6
269.04422	5.2
270.05194	6.4
271.06024	2.2
274.06354	0.6
275.07187	0.6
277.04633	0.7
279.06418	0.7
281.04456	0.9
283.02655	0.6
285.07681	1.6
286.04730	0.9
286.08298	1.0
287.05426	6.2
289.04868	0.6
290.05615	0.6
291.06546	0.8
293.04459	0.8
295.06085	0.8
297.04141	0.6
299.05505	1.2
302.05850	0.8
303.06604	1.4
304.07281	0.6
305.04489	1.1
306.05237	0.7
307.06061	1.2
309.03958	0.9
319.06076	1.3
320.06683	0.7
321.03989	0.8
321.07498	1.0
331.06070	1.3
332.06888	0.6
333.03909	1.0
333.07437	0.7
335.05469	0.6
336.06256	0.7
343.06046	0.6
345.07837	1.0
347.05640	1.6
348.06488	1.1
349.07089	1.4
351.05032	1.3
358.04654	1.2
359.05527	2.4
360.06134	0.9
361.03348	1.6
361.07257	0.9
373.07217	0.7
376.05859	2.1
377.06516	5.4
378.07312	0.9
379.04578	1.1
387.04837	1.2
389.06622	2.9
391.03976	0.8
391.08279	0.7
401.06561	1.2
402.07385	1.4
403.08334	0.7
404.05246	2.3
405.05978	1.4
407.03970	0.7
417.05942	2.7
418.06796	1.6
419.07410	3.4
421.05447	1.8
422.06808	1.0
431.07901	0.7
447.07004	0.8
457.09253	0.7
462.09323	0.9
485.08850	1.1
493.09094	0.7
495.06955	0.8
510.09213	0.8
513.08386	3.1
521.08582	0.7
525.08215	0.7
527.08868	0.7
538.08887	1.7
539.09985	0.7
540.10706	0.8
541.07562	1.9
555.09589	1.2
556.09955	4.5
571.12317	100.0
572.12781	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	570.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11453	0.9
55.05505	2.9
57.07077	54.6
65.19273	1.0
69.07066	8.0
69.95042	5.8
71.08230	2.4
71.08631	49.3
73.06568	6.0
83.08617	3.3
83.76051	1.1
85.10180	32.0
87.04459	5.0
89.06030	100.0
90.06351	1.5
90.69305	1.0
93.37941	1.0
93.92863	1.0
95.55788	0.9
97.10181	2.6
98.20776	1.2
99.11727	8.7
107.07087	3.2
111.11728	3.9
113.13297	6.9
117.09127	4.6
125.13294	2.5
127.14799	5.2
130.08629	2.0
131.06960	1.6
132.59099	1.1
133.08603	65.5
161.11546	1.2
177.11220	25.3
177.12695	1.9
183.21118	2.0
195.12392	1.2
221.13885	5.4
227.23743	2.3
239.14824	1.6
271.26328	3.2
283.17493	4.3
315.29053	2.9
327.20117	2.4
371.22806	9.1
553.43347	7.7
570.45685	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41653	1.0
52.71253	0.9
58.41646	1.1
67.05490	1.7
69.07059	1.9
70.93594	1.1
71.21099	2.5
81.03401	1.5
81.07037	1.8
85.13368	1.1
91.05482	1.6
93.07044	1.2
95.08612	3.0
101.34628	1.2
105.07062	2.4
107.08558	2.1
109.02871	1.7
109.10150	3.1
111.70190	1.2
117.77099	1.0
117.85899	1.2
127.03890	1.8
131.08585	1.5
137.02324	1.9
137.09561	1.6
137.74599	1.4
147.04515	1.8
147.11679	1.3
151.03992	1.2
173.33795	1.1
255.06314	1.1
276.40991	1.0
278.97220	1.1
338.99673	1.3
419.11215	8.3
433.12946	1.5
461.75015	1.2
481.24216	1.3
483.21997	9.9
518.68201	1.2
544.73688	1.1
569.29303	100.0
570.29797	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.426
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48869	0.9
55.05500	3.3
56.32978	1.1
57.07078	38.1
58.85727	1.0
64.02000	1.0
67.05489	1.6
69.07067	2.7
69.28857	11.3
71.08636	27.5
73.06558	8.0
83.08603	3.3
85.10187	21.8
87.04469	7.2
89.06033	100.0
97.10150	5.0
97.10705	1.1
99.11737	3.5
105.43559	1.1
107.07069	6.4
111.11678	1.0
113.13262	1.7
117.09133	6.0
117.22179	0.9
129.65126	1.0
130.08664	3.5
131.07071	1.6
133.08611	43.7
155.01050	2.0
155.17943	3.3
177.11249	11.1
199.20576	2.6
211.58369	1.2
244.90901	1.1
295.47610	1.2
384.75726	1.2
408.63696	1.1
463.15390	1.1
471.34427	1.4
501.74036	1.2
552.38342	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98798	0.5
51.24183	0.5
51.80949	0.5
53.03931	2.5
53.04148	0.5
55.01868	2.7
55.05505	2.2
57.03441	4.7
61.02927	4.6
66.37583	0.5
67.05495	1.0
68.99789	3.0
69.03426	18.1
69.07061	11.0
70.06578	0.7
71.01340	2.1
71.04982	1.7
71.58540	0.9
73.02911	4.2
79.05510	0.5
81.02927	0.6
81.03414	12.6
81.07050	1.2
83.01353	0.7
83.04974	1.3
85.02901	100.0
86.03233	0.8
86.09709	1.2
87.00823	20.1
91.03951	0.6
91.05485	0.9
95.01328	5.2
95.04988	1.1
97.02886	21.6
99.00819	1.5
99.04449	5.0
101.02370	0.8
103.03930	2.8
104.10762	1.1
105.01862	31.9
107.04898	0.8
109.02879	16.5
109.03593	1.2
111.04431	1.8
111.11711	3.1
113.02379	2.9
115.03918	0.9
117.01843	1.5
119.04888	0.8
123.04431	1.6
125.02381	1.6
127.03911	39.9
129.01869	3.1
131.03418	1.7
137.02342	0.9
137.05968	1.3
139.03989	1.4
141.01820	13.9
145.04951	14.2
147.02910	4.1
147.04329	0.9
147.06512	1.0
151.03889	2.6
153.01857	1.1
159.02879	8.1
163.04001	0.7
169.04933	1.9
171.02942	1.1
177.04019	1.4
184.07297	1.3
187.06035	1.0
189.03934	5.6
191.06985	5.0
213.03940	3.8
215.05550	0.7
219.04915	0.6
223.05940	0.7
225.03973	0.9
231.05006	14.8
233.06671	0.9
243.05086	1.1
249.03751	0.9
249.06020	5.6
261.06137	1.5
263.57462	0.5
267.05005	1.7
273.06085	4.4
285.06085	3.3
303.07092	0.8
371.06100	0.8
389.07211	2.6
407.08298	1.3
432.08951	0.6
570.11407	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
62.33129	0.3
67.05502	0.5
70.35280	1.3
74.12426	0.3
79.05488	0.5
81.03412	0.7
81.07038	0.8
91.05511	0.8
93.07061	0.4
95.04948	0.4
105.07058	0.6
107.08575	0.3
137.02322	0.4
163.11020	0.4
185.04344	0.4
203.05232	0.7
259.07907	1.3
271.13974	0.6
301.14340	0.4
333.20425	0.4
346.43887	0.4
360.03641	0.4
407.24106	1.3
428.72556	0.3
457.20670	2.3
471.21930	4.1
487.21487	1.0
541.75537	0.4
569.29321	100.0
570.29858	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	569.293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.4
57.67624	0.3
57.69772	0.3
59.73275	0.3
66.95737	0.3
67.05523	0.5
69.07063	0.4
69.79631	2.0
71.76344	0.3
75.82516	0.3
79.05505	0.8
81.03411	0.4
81.07080	0.6
91.05490	0.5
93.07025	0.6
95.04959	0.4
95.08637	0.4
105.07027	0.4
122.29693	0.3
129.54242	0.3
149.09607	0.3
203.05324	0.6
239.85805	0.3
248.02679	0.3
259.07928	1.0
271.05557	0.3
271.14026	0.3
301.14157	0.4
407.23996	0.9
457.20380	2.6
471.21933	3.9
487.21341	1.0
569.29309	100.0
570.29932	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83388	1.1
71.57914	1.7
81.75742	1.1
116.09609	1.3
137.02335	1.7
147.04391	1.3
151.03894	1.3
186.75281	1.3
202.28748	1.3
269.08118	1.8
270.09000	2.1
285.47726	1.3
311.05484	1.5
393.65112	1.4
400.98361	1.4
407.23917	1.6
483.22092	8.2
539.12744	1.9
560.26373	1.3
569.29297	100.0
570.29675	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	569.2929
Annotation	Leukotriene F4
Peak:m/z	Relative Intensity
55.05529	0.6
65.12099	0.6
67.05502	0.9
68.15582	0.6
71.59582	0.7
79.05507	0.6
81.03413	0.9
81.07046	0.8
91.05461	0.6
93.07030	0.8
95.04980	0.8
105.06999	0.7
129.21004	0.5
173.06047	1.0
193.12093	0.6
253.12924	0.7
265.55780	0.6
407.23929	1.4
457.20398	3.2
471.21982	4.4
487.21579	0.9
569.29333	100.0
570.29492	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17850	0.3
55.05495	0.6
67.05484	0.7
67.91380	0.4
69.07052	0.5
69.86301	0.5
69.86716	1.0
76.72702	0.3
79.05494	0.4
81.03419	0.7
81.07047	1.2
87.02361	0.3
91.05477	0.6
93.07032	0.7
95.04952	0.4
105.07048	0.4
107.08567	0.5
109.10115	0.5
116.90234	0.3
119.08583	0.4
123.04417	0.4
131.04887	0.3
137.05943	0.4
173.06032	0.4
182.28658	0.3
185.04213	0.6
253.12975	0.4
259.07870	0.3
271.13837	0.5
273.14764	0.4
295.14923	0.3
301.14435	0.5
309.16772	0.4
315.05313	0.4
331.09952	0.6
407.24109	1.4
457.20490	2.9
471.22021	5.4
471.28494	0.6
487.21274	0.6
551.29242	0.5
569.29297	100.0
570.14862	0.3
570.29596	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	569.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	5.6
55.01867	9.9
55.05515	24.1
62.69919	4.3
67.05504	37.3
68.99802	10.0
69.03417	18.3
69.07061	6.4
71.58665	8.2
73.95326	4.8
75.75858	5.6
79.05501	25.2
81.03420	80.3
81.07066	28.3
83.04977	15.1
83.08627	21.5
85.02898	10.0
91.05487	29.7
93.07054	25.1
95.04977	33.7
95.08617	12.0
97.02893	10.3
97.06516	5.9
105.07034	22.9
107.04961	13.6
107.08612	11.9
109.02889	14.4
109.06519	31.4
111.08093	16.8
113.06005	12.3
119.08561	21.1
123.04467	13.9
124.03284	4.5
127.03919	44.6
129.06981	12.6
131.08578	11.5
133.06493	8.8
133.10161	21.8
137.05991	10.9
139.03963	5.3
139.28920	5.1
145.10188	6.2
147.04407	7.6
147.08118	7.6
147.11694	8.9
149.09677	6.2
151.07513	48.0
153.85913	4.8
155.29192	5.0
157.06561	8.3
157.10121	9.9
161.06015	12.1
167.03555	5.1
175.07565	17.2
175.11186	12.8
179.07037	75.2
184.07428	5.2
187.03963	8.0
189.05516	9.2
189.09105	9.7
193.12233	60.5
197.08095	100.0
203.07007	9.9
211.13295	97.6
211.94170	5.1
213.05550	8.3
217.05022	14.1
221.08104	15.1
235.05928	8.4
239.09096	14.9
241.04951	67.4
263.09183	7.2
269.04535	12.3
269.08179	5.4
299.09201	6.9
301.14313	10.1
305.10132	11.9
319.15405	7.3
355.17685	9.3
356.45969	5.3
384.94699	5.7
395.31665	6.2
433.12766	11.8
569.14850	41.8
569.30493	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	568.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71016	1.3
53.03936	2.3
55.05517	10.8
56.96203	1.3
57.07064	6.8
59.04958	2.0
59.20261	1.4
65.03921	3.3
67.05500	15.5
69.03420	3.8
69.07063	12.4
70.84509	5.3
71.08617	1.8
79.05489	27.8
80.06272	1.9
81.07051	30.2
83.04948	2.1
83.08607	5.9
85.06540	3.0
91.04900	2.1
91.05478	42.3
92.06255	2.3
93.07040	51.6
94.07826	2.4
95.04964	38.2
95.08601	27.5
97.06506	3.0
103.05472	4.1
105.07027	85.8
106.07864	3.1
107.08593	39.1
108.09390	2.1
109.06526	5.7
109.10146	15.2
111.08090	1.6
115.05444	6.6
116.06219	2.6
117.07021	25.1
118.07763	2.4
119.08578	100.0
120.09411	7.0
121.06530	2.5
121.10144	32.5
123.08067	13.6
123.11692	5.6
123.28307	1.4
128.06226	9.4
128.64368	1.4
129.06985	17.6
130.07782	9.2
131.08565	50.9
132.09399	11.7
133.06453	1.8
133.10124	54.7
134.10916	8.6
135.08063	5.2
135.11681	19.8
137.09596	5.5
138.10379	6.9
139.11130	1.8
141.06992	9.9
142.07773	18.2
143.07486	3.2
143.08557	44.6
144.09338	12.2
145.10114	85.7
146.10886	6.8
147.08061	2.7
147.11676	24.5
149.09590	3.4
149.13293	4.1
151.11156	2.7
153.06941	2.7
154.07767	3.8
155.08545	15.1
156.09328	17.5
157.10118	45.9
158.10925	13.1
159.11688	37.6
160.12442	3.5
161.09607	5.7
161.13228	8.7
163.11169	2.1
163.14926	1.8
165.06969	5.7
166.07726	1.7
167.08566	9.5
168.09346	5.5
169.10124	25.3
170.10895	9.3
171.11673	34.6
172.12466	5.0
173.13255	27.9
175.14839	20.0
177.12758	4.2
179.08546	9.8
180.09348	3.6
181.10107	16.5
182.10912	8.9
183.11688	27.7
184.12477	4.8
185.13257	26.2
186.14038	5.4
187.14827	13.8
189.12712	4.1
190.13495	1.5
191.14287	12.9
192.09341	3.0
193.10110	11.1
193.15915	2.0
194.10921	6.8
195.11668	16.7
196.12492	7.5
197.13271	29.6
198.14034	6.7
199.14778	13.2
200.15393	1.9
201.12746	4.8
201.16281	8.3
203.14391	3.5
205.10092	2.4
205.15894	1.9
206.10829	2.6
207.11684	10.7
208.12427	3.9
209.13232	25.1
210.13971	4.7
211.14780	19.7
212.15567	2.6
213.16356	4.6
214.16743	1.4
217.15863	4.9
218.16656	1.8
220.12299	1.6
221.13188	7.2
222.13986	4.3
223.14793	11.0
224.15619	5.1
225.16368	6.9
226.17105	2.8
227.17964	2.5
230.16785	2.1
231.17404	2.5
233.13278	3.6
234.13947	2.2
235.14795	7.9
237.16367	7.5
239.17929	4.5
241.19569	4.1
247.14844	3.2
249.16315	4.7
251.17938	3.7
252.18584	1.6
253.19647	2.1
255.17436	2.2
257.19077	4.3
259.20505	2.4
261.16376	3.4
263.17993	3.2
264.18777	1.7
265.19513	4.0
270.19662	1.9
275.17960	2.6
277.19443	4.5
279.20969	3.4
283.20590	2.3
285.22156	3.8
297.22189	3.4
303.21100	2.2
305.22540	3.7
309.22147	1.9
323.23663	7.8
332.46707	1.8
337.25223	3.6
338.26004	45.5
415.29968	2.1
420.30194	3.0
430.32379	17.8
458.35596	2.0
476.36484	12.8
568.42688	21.2
568.56287	2.6
574.63275	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16756	1.2
53.03921	3.9
53.10517	1.2
55.01859	5.8
56.03413	1.3
57.03436	3.2
61.02927	1.9
67.05495	1.5
68.99778	6.3
69.03429	8.0
69.71619	9.9
73.02913	1.9
75.12917	1.2
76.91743	1.3
79.05495	4.3
79.91655	1.2
81.03419	12.0
81.07040	4.3
81.15636	1.4
83.04996	1.9
83.14548	1.5
85.02903	25.4
87.00829	8.8
89.03851	1.3
91.05467	7.8
93.07066	6.7
95.04948	4.5
97.02870	7.5
99.04453	2.1
103.03957	1.9
103.05460	7.8
103.83571	1.4
105.01838	5.7
105.07035	12.6
107.04943	5.6
109.02894	9.9
111.04449	2.2
115.05467	3.4
117.07008	3.2
119.04886	2.2
121.06496	61.1
123.04427	20.8
124.05262	1.6
127.03904	16.8
133.06493	22.4
137.05977	7.4
139.07437	1.3
145.04932	5.6
145.06505	10.0
147.02863	2.9
147.04398	6.5
149.05981	100.0
151.07536	1.9
153.05447	5.9
155.07007	2.2
159.02919	6.5
159.52885	1.5
161.05991	24.7
162.06793	1.4
163.03888	17.0
163.07512	3.1
165.05467	2.5
167.07028	13.3
170.76137	1.3
173.05983	20.8
175.03978	1.5
175.07561	1.5
178.06252	61.9
181.08617	10.0
185.05917	2.7
187.07565	3.0
191.07002	11.4
193.08597	36.5
194.09412	2.2
211.07654	2.0
215.07036	6.4
215.71040	1.4
229.08548	1.9
231.05011	2.8
239.06868	2.9
243.10239	1.9
257.08017	4.9
271.09491	1.8
295.09506	2.0
301.83218	1.4
303.12259	82.5
304.12689	2.2
327.12262	20.2
345.13223	7.9
369.13254	9.1
393.13263	3.7
411.14587	6.5
461.06958	1.9
525.15448	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05640	0.5
55.97457	0.6
56.05030	1.1
56.96561	0.7
57.05818	0.7
60.04519	1.9
69.03420	0.7
69.07060	8.1
70.06593	1.2
71.58062	1.0
75.05596	1.8
82.05320	0.7
83.06106	3.8
84.04524	0.6
85.02898	1.2
86.09703	100.0
93.04529	2.3
95.06085	2.8
96.13094	0.6
98.97572	0.6
99.05634	0.7
110.07161	63.0
112.03963	10.5
116.98627	0.6
119.08620	1.1
139.04994	0.8
143.11778	6.8
150.25952	0.7
153.01826	2.3
156.07681	67.7
166.06152	1.8
169.06129	3.9
224.14145	0.9
250.33586	0.5
251.15039	2.5
254.15100	2.0
266.95871	0.6
269.16077	17.5
272.16034	7.9
300.15543	18.9
316.14200	0.7
413.23984	2.7
439.26617	1.5
550.29620	1.4
568.30902	25.2
569.30597	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84350	16.1
55.05502	39.0
67.05506	67.5
69.07069	19.6
71.04986	17.6
71.59055	27.5
75.08213	12.7
78.49742	13.1
79.05479	45.4
81.03429	16.3
81.07066	82.0
83.04954	16.6
83.08615	17.8
91.05466	62.1
93.07024	79.5
95.08591	100.0
97.06513	16.2
105.07040	69.8
107.08573	69.5
109.06502	23.7
109.10162	76.7
111.08083	15.9
115.05417	20.2
119.08623	73.1
119.15213	14.2
121.10131	48.4
127.03876	24.7
129.07024	22.8
131.08563	49.7
133.10100	39.9
137.02377	16.0
143.08551	25.4
145.10168	36.9
147.11717	23.0
149.13153	17.5
151.03917	19.8
153.01747	17.8
155.08498	15.9
157.10182	18.6
159.11694	25.0
161.13156	14.9
169.10077	33.1
183.11676	15.5
185.13144	19.5
187.11140	13.9
195.11726	19.6
199.14743	14.1
207.11716	16.2
221.13345	13.3
241.04929	21.0
244.06944	14.1
272.36633	15.1
275.20047	26.4
293.20761	17.5
423.35941	24.8
549.39398	21.5
567.12463	91.5
567.32019	26.9
567.40356	54.9
568.13379	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	567.404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	13.5
57.07068	4.9
60.08362	4.8
61.31589	4.6
67.05504	24.2
69.07056	21.4
71.01339	19.7
79.05499	16.5
81.07053	49.1
83.08615	9.4
85.02883	18.0
91.05466	12.7
93.07040	37.5
95.08050	8.6
95.08601	100.0
97.10134	7.8
101.02383	38.2
105.07035	37.9
107.08575	58.2
109.10157	60.1
110.64400	4.7
111.08042	20.1
117.07011	5.4
119.08559	65.3
121.10142	45.9
123.11676	26.8
127.03915	52.8
131.08525	10.9
133.10118	39.6
135.11717	25.6
137.13257	7.7
139.11162	5.0
145.04936	39.1
145.10091	17.6
147.11687	36.4
149.13277	42.4
151.11102	5.3
157.10155	8.1
159.11707	24.7
161.13243	32.6
163.14818	20.2
173.13234	16.1
175.14810	25.2
177.16371	20.0
185.13287	7.7
187.14819	17.2
189.16406	22.0
191.17966	13.2
201.16356	40.4
203.17978	39.8
205.15994	6.4
205.19534	5.6
207.17438	7.9
213.16371	10.7
215.17953	17.2
217.19470	22.6
219.17502	6.0
227.18007	7.9
229.19466	8.7
233.19044	5.7
243.21152	6.9
255.21111	6.4
269.22540	8.3
283.23990	6.9
313.41312	4.6
365.32022	8.2
405.35355	7.5
423.36166	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84350	16.1
55.05502	39.0
67.05506	67.5
69.07069	19.6
71.04986	17.6
71.59055	27.5
75.08213	12.7
78.49742	13.1
79.05479	45.4
81.03429	16.3
81.07066	82.0
83.04954	16.6
83.08615	17.8
91.05466	62.1
93.07024	79.5
95.08591	100.0
97.06513	16.2
105.07040	69.8
107.08573	69.5
109.06502	23.7
109.10162	76.7
111.08083	15.9
115.05417	20.2
119.08623	73.1
119.15213	14.2
121.10131	48.4
127.03876	24.7
129.07024	22.8
131.08563	49.7
133.10100	39.9
137.02377	16.0
143.08551	25.4
145.10168	36.9
147.11717	23.0
149.13153	17.5
151.03917	19.8
153.01747	17.8
155.08498	15.9
157.10182	18.6
159.11694	25.0
161.13156	14.9
169.10077	33.1
183.11676	15.5
185.13144	19.5
187.11140	13.9
195.11726	19.6
199.14743	14.1
207.11716	16.2
221.13345	13.3
241.04929	21.0
244.06944	14.1
272.36633	15.1
275.20047	26.4
293.20761	17.5
423.35941	24.8
549.39398	21.5
567.12463	91.5
567.32019	26.9
567.40356	54.9
568.13379	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	567.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.05513	2.5
57.03423	1.3
64.41289	0.8
67.05510	10.1
69.03422	2.1
69.07067	1.5
71.58904	1.1
79.05486	4.0
81.03426	6.9
81.07057	6.8
83.04987	2.1
83.08620	2.4
85.02901	2.7
86.74112	0.7
91.05490	4.2
93.07029	3.9
95.04984	1.9
95.08610	2.7
96.02464	0.7
97.02896	1.6
97.06546	1.6
97.10168	1.1
105.07021	1.0
107.08575	1.9
109.02874	0.8
109.06560	1.0
109.10158	4.8
111.04430	1.2
115.24445	0.8
117.07021	1.2
119.08586	2.7
121.10140	1.7
125.09679	0.8
127.03925	1.8
131.08623	1.5
133.10168	1.4
147.11658	1.1
149.13293	0.9
164.66364	0.8
173.11732	1.4
183.08049	0.9
195.13994	0.9
251.12611	0.9
283.15149	12.7
307.15210	1.7
339.17786	6.1
423.27472	0.9
457.43246	0.7
482.10733	1.0
567.13300	2.5
567.16309	3.3
567.31415	100.0
568.31763	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	567.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.5
57.03448	1.5
67.05512	6.6
69.03417	0.9
69.07076	1.6
69.38425	5.1
69.38834	1.3
71.04989	1.0
73.28365	0.6
74.04372	0.8
79.05490	3.6
80.08605	0.6
81.03401	4.6
81.07060	4.3
83.04990	1.0
83.08611	1.5
85.02895	1.1
85.06521	0.8
91.05490	3.4
93.07047	2.9
95.04971	2.1
95.08580	1.5
97.02916	0.7
97.06506	0.8
105.07027	2.4
105.46085	0.8
107.08602	2.1
109.10165	2.0
119.08592	1.6
121.10154	1.4
131.08568	1.3
133.10158	0.9
134.71730	0.6
147.11691	1.9
152.03099	0.7
157.10141	1.0
175.11150	0.9
185.04440	0.7
203.05357	0.8
251.12514	2.1
259.07968	1.4
283.15143	15.7
307.15286	1.0
331.10095	0.7
339.17844	6.4
405.22415	1.7
419.49081	0.8
507.32816	2.5
567.13257	2.3
567.30273	100.0
568.28973	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	567.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
60.14208	4.9
69.94749	25.1
78.61928	5.8
79.05485	9.5
81.03421	23.1
81.07027	7.7
85.02863	4.6
91.05482	8.8
95.04956	5.7
98.20767	5.7
105.07024	8.3
107.04941	17.4
115.05463	13.8
117.07024	14.1
121.06506	5.6
121.85741	4.5
123.04434	6.7
124.05223	6.5
131.04959	5.7
131.08588	8.5
133.06485	10.0
137.05948	16.0
144.05699	8.3
145.06462	33.2
156.05763	10.5
159.08049	17.0
161.06000	12.5
163.07617	6.2
167.07039	100.0
167.08417	5.9
173.05988	35.2
175.07526	8.0
177.05482	8.2
180.19141	4.7
181.04865	6.1
184.05309	5.9
187.07622	8.2
190.06253	16.8
191.07031	18.3
193.08562	8.9
200.52142	5.0
203.07059	9.2
205.08595	36.4
209.08070	6.3
217.08525	25.9
219.10289	8.9
235.09642	13.2
247.07463	5.5
247.09662	24.1
264.82043	5.0
269.08127	6.1
279.12177	5.5
291.12338	9.0
307.09647	7.0
308.10849	5.2
315.08597	21.6
323.12723	8.1
329.10391	9.3
330.10922	19.4
337.10345	6.3
337.36093	5.2
343.11850	7.9
351.12231	8.8
383.14700	19.2
401.15970	6.3
404.14569	20.2
457.18369	15.6
475.19446	12.8
478.18173	16.0
531.22437	5.9
549.22906	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	567.2434
Annotation	Excavatolide C
Peak:m/z	Relative Intensity
53.03932	2.5
55.01876	1.8
57.03426	2.3
62.28405	1.6
65.95135	1.8
66.12835	1.6
66.32409	1.5
69.03398	2.0
70.06614	1.9
70.56502	1.5
71.05003	1.7
71.43868	1.5
71.58906	2.1
78.04692	2.5
79.05492	9.2
81.02985	2.2
81.03424	28.4
81.07038	2.2
83.04928	1.8
91.05478	7.2
95.04961	5.4
103.05492	3.1
105.07014	4.5
107.04948	14.4
115.05417	8.4
116.92377	1.6
117.07012	13.9
119.04933	1.7
121.06503	2.4
123.04431	8.0
124.05239	1.9
125.05989	3.0
128.06224	1.9
129.00769	1.9
129.06985	3.7
131.04875	4.8
131.08565	7.4
133.06439	1.8
137.05974	6.8
140.03424	1.6
141.07001	3.9
143.04947	2.1
144.05630	4.7
145.06485	25.8
147.04445	2.0
149.05968	3.1
151.03845	2.0
151.07545	2.9
152.04613	2.1
153.01953	1.6
153.05453	4.6
154.78816	1.7
155.05994	2.5
156.05649	8.6
159.08009	10.8
160.05185	2.1
161.05986	7.6
163.03983	2.8
163.07542	2.1
165.05453	2.6
167.07045	100.0
173.05984	30.1
175.07556	3.5
181.04942	3.4
182.58859	1.5
183.06480	2.0
184.05206	2.6
187.07568	11.3
189.05443	4.8
190.06250	18.9
191.07034	7.5
193.08630	3.8
195.06526	4.1
199.07439	2.3
202.06215	5.2
203.03374	2.0
203.07062	4.9
204.07823	2.9
205.08589	30.6
207.06522	6.1
207.10132	2.0
208.05186	2.9
209.08084	7.6
210.06665	1.6
211.07613	1.8
214.08740	1.7
215.07042	2.5
217.08604	20.3
219.08177	3.5
219.10153	7.1
220.07297	7.2
231.07948	2.0
235.09608	10.7
236.04808	2.2
241.08498	3.9
241.10706	5.4
245.59303	1.6
247.07494	3.4
247.09665	29.3
248.08409	4.3
262.09091	2.3
264.07825	1.9
265.10709	2.2
269.08020	6.6
271.09677	3.1
272.06876	1.7
275.07178	2.4
276.07657	2.1
279.12537	9.3
282.08783	3.1
286.04681	3.3
286.08221	2.2
287.05579	2.6
291.09604	3.0
291.12299	7.6
293.08142	4.1
299.05762	1.9
301.07117	2.8
301.10556	2.4
307.09479	2.2
308.10284	4.6
315.08542	23.6
319.04291	4.1
321.13406	2.4
323.12659	5.2
329.10251	8.4
330.10947	15.1
331.11963	1.9
336.09766	2.4
337.10861	3.4
339.12131	2.6
343.11664	3.4
351.12372	14.2
353.10101	3.0
356.12802	1.9
367.11679	2.7
368.12570	4.1
369.13254	2.3
371.14899	9.0
373.12692	3.4
382.14389	3.8
383.14819	13.8
401.15793	5.2
404.09784	2.7
404.14658	18.8
417.15277	2.6
426.16846	2.4
457.18695	9.8
475.19580	14.1
478.18427	18.2
531.21985	5.9
549.23236	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	567.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.7
53.68044	1.3
65.03951	10.7
69.89656	10.0
70.64642	1.7
78.04720	3.0
79.05488	9.1
81.20934	1.6
91.05469	11.0
93.03378	2.0
95.01340	1.6
95.04948	4.9
98.20851	1.8
103.05464	5.4
105.07036	11.5
106.04155	3.3
107.04951	12.2
110.03684	7.6
111.04468	9.9
115.05434	8.4
116.64621	1.5
117.07028	1.9
118.04169	2.1
119.04958	8.2
119.08566	2.4
121.06512	2.0
122.03667	2.5
123.04427	6.0
124.05192	4.5
125.06001	9.6
128.06215	4.8
129.07069	7.9
131.04930	4.7
132.05719	1.8
133.02847	2.5
133.06476	7.7
135.04453	2.0
137.05963	10.7
141.06967	1.8
144.05721	3.1
145.06516	3.4
147.04405	10.6
147.08002	4.4
149.06006	1.9
151.03879	2.5
151.07556	2.9
152.04666	2.5
153.05457	37.8
155.04875	2.6
157.06602	2.0
159.08110	8.9
160.05217	2.3
161.05995	13.0
165.06973	2.0
167.07043	100.0
171.07979	2.0
172.05228	4.8
174.86433	1.4
175.07542	25.3
175.20941	1.8
177.05499	2.6
178.07805	2.2
179.07007	6.9
179.08401	1.9
184.05203	2.8
186.06737	2.8
187.07564	20.0
189.05418	5.0
189.06970	2.3
190.07811	4.1
191.07014	5.0
191.08572	4.0
199.07521	7.1
202.07796	4.2
203.08551	7.3
205.06450	4.1
205.10179	2.0
206.07239	3.2
207.06509	1.8
207.08199	1.8
209.07845	2.0
215.08549	2.7
217.06366	2.1
218.07234	5.4
219.08121	9.4
220.08841	3.6
221.05876	2.2
221.09589	5.9
223.07483	1.9
229.08493	2.9
231.08049	6.3
233.05952	4.5
233.09566	5.1
234.06837	4.3
235.07513	4.7
236.08298	3.9
246.06758	3.7
247.07579	4.9
248.08357	6.9
249.09070	8.7
250.06122	1.8
251.07024	2.0
251.10649	4.1
257.16534	1.5
259.07520	3.7
260.08322	3.3
261.05460	3.3
261.09116	6.2
261.12198	1.5
262.09924	2.3
263.06958	5.1
263.10400	2.3
264.07822	6.9
265.08698	9.8
265.11008	1.6
266.29990	1.6
276.07800	12.9
277.08511	6.5
278.09265	3.1
279.10199	4.1
281.11728	6.2
289.08533	3.9
290.09274	1.8
291.10104	4.2
293.08057	5.6
293.11597	3.1
294.08728	2.9
295.09570	3.0
304.07346	1.9
305.08026	3.4
306.08835	1.8
307.09686	12.8
308.10281	6.1
309.11246	7.6
311.12692	2.6
319.09641	11.5
320.10413	3.2
321.11285	7.6
322.11823	2.1
323.12790	7.0
325.14236	2.2
339.12305	45.2
341.13858	11.6
351.12271	24.4
352.12659	2.4
353.13977	8.8
435.92462	1.8
468.38977	1.8
566.62952	1.7
574.74542	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44701	1.0
55.01876	2.3
55.78133	1.0
56.37072	1.1
56.58003	1.0
59.03157	1.1
61.23355	1.0
62.16630	1.1
65.03946	6.3
66.88833	1.0
67.05507	1.5
69.76642	2.7
69.77050	5.4
72.23745	1.0
78.04720	2.1
79.05492	8.4
81.03420	3.1
81.07056	1.6
91.05488	11.1
93.07067	1.5
95.04990	4.3
101.93417	1.2
103.05478	5.4
105.03418	1.1
105.07030	12.1
106.04183	2.3
107.04940	11.0
110.03662	5.7
111.04424	7.8
113.45627	1.2
115.05450	5.8
117.07014	2.9
118.04115	2.6
119.04952	7.1
119.08588	2.4
121.06538	1.2
122.03651	1.5
123.04427	8.4
124.05210	4.4
125.05994	7.9
128.06238	3.2
129.06990	7.7
130.04176	1.3
131.04919	7.0
131.08578	2.2
132.05696	3.6
133.02873	3.9
133.06485	7.3
133.67525	1.1
135.07993	1.2
136.05165	2.4
137.02359	11.4
137.05972	11.8
141.06999	1.7
144.05711	3.5
145.06522	3.4
147.04436	7.6
147.08044	2.5
148.05153	2.8
149.05983	3.5
151.03902	2.3
151.07538	2.8
152.04697	2.1
153.01854	2.7
153.05467	28.9
153.07324	1.3
154.86533	1.2
155.04970	2.2
155.07120	1.6
156.05708	1.7
157.06519	2.0
159.08032	6.9
160.05234	1.7
161.05995	13.8
162.73711	1.0
163.07547	5.2
165.05574	1.7
167.07039	100.0
169.06458	1.3
171.04541	1.3
171.07970	1.5
172.05208	1.5
173.06015	1.5
175.07542	23.3
177.05464	3.7
178.07727	2.3
179.07024	6.8
179.08498	1.7
181.04973	3.6
181.06488	1.3
182.15387	1.2
184.05287	1.1
185.05887	1.4
187.07547	20.1
187.09149	1.6
189.05475	5.0
189.07021	3.0
189.09105	2.2
190.07793	3.4
191.07013	19.5
191.08585	2.9
199.07489	8.0
202.07796	2.6
203.08617	8.1
205.06544	2.2
206.07227	4.3
207.06442	2.6
207.08163	2.7
209.08057	2.4
215.08675	2.5
217.06638	2.2
218.07231	6.0
219.08084	8.0
220.08784	2.7
221.09648	4.3
223.07556	2.6
229.08638	1.7
231.08038	5.5
232.08922	3.4
233.06015	3.1
233.09666	4.5
234.06761	4.3
235.07480	6.5
236.08368	1.6
239.07198	1.3
245.06059	3.3
246.06686	3.3
247.07507	5.5
248.08348	4.9
249.09119	9.9
250.09885	1.9
251.07086	2.3
251.10716	4.0
259.07639	3.9
260.08487	2.7
261.05475	2.4
261.09131	6.2
262.06293	1.5
263.07050	3.3
263.10684	2.5
264.07697	2.1
265.05878	1.3
265.08505	6.1
266.09268	2.4
272.08340	1.6
274.06223	2.2
275.07040	3.4
276.07791	8.6
277.08429	7.6
278.09387	4.5
279.06628	2.3
279.10159	3.8
280.07425	1.8
281.11685	6.6
289.08591	3.6
290.09280	2.8
291.10193	8.3
292.10922	1.2
293.08093	5.1
293.11536	2.6
294.08957	2.5
295.09756	1.5
304.07220	2.1
305.08023	3.6
306.08902	4.5
307.09576	13.5
308.10431	4.3
309.07935	2.2
309.11096	9.9
319.09668	9.9
320.10422	2.4
321.11047	8.4
322.11804	1.7
323.12592	6.5
326.11661	2.6
327.12234	1.3
337.10596	2.4
339.12274	32.0
341.13861	15.3
351.12320	21.7
352.12885	2.7
353.13855	9.8
374.07944	1.6
379.15442	1.4
402.07416	1.6
417.09644	2.3
567.12878	24.5
567.21417	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69910	0.5
53.03936	1.7
55.01866	2.3
57.03419	1.3
61.02914	1.4
61.41516	0.5
64.98419	0.5
67.13801	0.5
68.99793	2.7
69.03423	7.0
70.06564	1.0
71.04987	1.1
72.08135	0.7
73.02895	0.9
81.02934	0.4
81.03409	8.8
85.02900	13.2
87.00823	4.1
91.05511	0.9
97.02889	4.6
99.04433	2.6
105.01854	3.4
107.04929	0.6
109.02882	8.3
111.00803	1.7
117.01891	1.1
125.02354	0.5
127.03918	10.2
129.01855	1.0
137.02313	1.5
137.05998	0.9
139.03854	0.6
145.04953	3.7
147.02902	0.6
153.01828	12.4
159.02895	4.2
161.05963	0.6
163.17116	0.5
165.01830	3.3
179.03441	1.1
183.02811	0.7
185.92224	0.5
189.05417	0.6
195.02805	1.0
207.02844	0.5
217.04990	2.6
231.05028	1.3
245.04436	4.7
263.05331	0.6
273.03903	3.9
279.15894	0.5
287.05496	0.9
288.05673	0.7
289.06003	1.3
290.04184	1.1
301.03427	1.1
301.06833	1.0
319.04480	100.0
320.04880	1.5
481.99753	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.3
53.03937	0.9
63.18774	0.2
65.03962	0.3
67.05492	0.3
69.03413	0.3
69.07062	0.3
77.03928	0.3
79.05061	0.3
79.05491	4.7
81.03406	0.6
81.07042	0.6
85.02897	0.5
87.00808	0.3
91.05470	1.2
93.07037	0.4
94.04230	0.4
95.04978	2.4
97.02908	0.3
100.11262	0.8
105.03340	0.3
105.04476	0.3
107.04948	20.3
107.08588	0.4
109.02843	0.4
109.06497	0.9
110.84844	0.2
111.08065	0.3
121.06481	0.4
122.03635	0.9
123.04429	2.4
124.05215	2.1
125.05994	4.9
127.03920	0.3
131.04907	0.4
135.04419	1.3
135.05531	1.4
137.05969	100.0
138.06314	0.9
139.03906	0.4
139.07535	4.6
147.04387	0.8
149.05898	0.3
151.03889	0.9
151.07532	0.5
152.04683	1.9
161.05898	0.3
163.03894	4.6
163.07574	0.3
165.05469	8.4
165.06870	0.5
167.07034	14.9
175.07658	0.3
177.05452	0.8
179.07051	0.3
181.04968	0.4
181.06429	0.3
182.15395	0.3
187.07695	0.3
195.06528	4.7
195.08238	0.4
198.06757	0.3
210.14848	0.4
217.08716	0.4
241.08597	0.5
243.06688	0.3
252.87766	0.3
259.96924	0.3
269.08020	1.5
271.06003	1.3
277.00729	0.3
286.08441	2.4
301.10617	1.1
319.11737	32.7
320.12021	0.5
341.13947	0.3
465.05249	0.2
518.01855	0.3
583.72040	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.3
54.10743	2.1
55.05514	24.0
57.03428	2.7
57.07040	2.7
67.05504	6.2
68.05034	18.8
69.03433	15.0
69.07059	8.6
71.04993	4.4
71.57910	4.2
72.63976	2.8
73.78970	2.6
74.07342	2.4
74.58575	2.3
79.05476	5.5
81.03445	5.9
81.07045	7.9
82.06581	94.1
83.04945	2.9
84.98914	3.2
85.02908	34.9
86.32919	3.2
91.05475	6.1
93.07036	5.9
95.08604	5.2
96.04514	2.8
96.08154	2.4
97.02895	12.7
97.10151	3.3
98.06020	2.9
100.07622	2.5
105.07041	12.5
107.08597	21.4
108.08083	3.1
109.02895	3.1
109.05791	4.5
109.06522	81.7
109.10146	7.7
110.09775	2.6
114.05510	4.2
119.08582	9.1
121.10137	9.7
122.09657	5.8
123.08078	3.3
124.07554	4.9
127.03899	10.1
128.07018	2.9
132.08090	3.2
133.04758	2.7
133.10152	4.3
135.11697	7.3
136.11220	5.6
145.04924	2.8
146.09537	3.2
147.11681	10.4
148.11186	11.2
149.62366	2.2
150.09129	28.0
152.10622	4.5
161.13242	6.0
162.12762	4.5
164.14384	7.1
165.12787	12.6
171.11693	3.5
173.11966	3.5
174.12741	3.4
179.46353	2.4
188.14388	18.9
206.15407	100.0
224.14244	3.5
224.16458	70.7
242.17491	6.1
368.20670	7.6
386.21689	8.0
566.59497	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	566.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.5
55.05516	26.0
57.03429	4.6
61.02917	3.8
62.99919	3.0
67.05494	9.5
68.05025	28.5
69.03423	17.1
69.07069	8.5
70.06583	4.1
71.57359	3.1
79.05491	7.0
81.03430	8.8
81.07053	12.0
82.06579	92.5
83.04990	4.2
83.08617	4.1
85.02902	35.1
91.05473	7.3
93.07031	5.2
94.06602	4.2
95.08604	7.4
96.04483	4.4
96.08134	5.8
97.02899	14.9
98.86162	3.1
100.07603	5.9
105.07030	10.6
107.08593	12.0
109.02836	8.5
109.06514	100.0
109.10167	9.1
119.08587	6.7
120.08137	3.4
121.10129	5.9
122.09679	5.3
123.08068	4.3
124.07593	4.0
127.03909	17.6
133.08914	2.9
133.10110	5.5
135.11646	7.2
137.02415	4.2
142.08688	3.9
145.04996	6.2
147.11700	8.4
148.11179	10.4
149.13277	3.6
150.09116	30.4
152.10692	4.8
153.01828	8.8
162.12814	8.3
164.14426	6.4
165.12766	18.6
166.67415	3.0
168.10229	6.8
173.13368	3.7
188.14371	18.7
205.04849	3.4
206.15404	81.8
224.16463	85.6
224.18561	6.1
242.17520	6.9
264.05844	3.4
277.55627	3.2
279.10016	2.9
368.20645	3.6
373.05383	4.5
378.05869	3.4
386.21747	11.4
477.65854	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	566.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.8
55.05512	33.8
61.02925	5.1
67.05500	7.6
68.05032	23.6
69.03430	20.6
69.07065	8.8
69.92803	5.9
69.93213	11.8
70.06584	4.4
71.04980	2.6
73.03616	2.6
79.05478	8.8
81.03424	8.1
81.07065	12.9
82.06581	92.5
83.05009	3.8
85.02907	40.2
85.06525	3.6
91.05470	8.5
93.07035	7.7
95.04972	3.4
95.08604	6.6
96.04500	5.7
96.08112	5.1
97.02897	13.4
97.10149	5.1
100.07634	4.8
105.07024	12.3
107.08578	29.7
108.08126	7.3
109.02864	5.7
109.06519	100.0
109.10161	9.5
119.08583	9.7
121.10155	9.6
122.09682	6.3
124.07616	5.5
127.03930	10.3
128.07111	4.1
133.10155	6.9
134.09659	6.6
135.11685	12.5
136.11195	8.7
139.03700	2.8
145.04932	4.7
146.09590	6.1
147.11696	13.9
148.11255	10.4
150.09149	22.1
158.09615	5.9
161.13275	6.3
162.12720	3.3
164.10748	5.4
164.14403	9.7
165.12793	16.8
178.15805	3.3
182.15445	5.3
185.19238	3.0
188.14308	25.8
206.15393	89.0
224.16451	71.3
242.17566	10.4
250.22292	3.3
310.96524	3.2
368.20688	11.4
386.21848	9.8
392.52142	2.9
408.29028	3.1
423.15509	3.7
481.99170	3.7
490.21173	3.1
541.62250	3.4
544.33496	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	566.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	6.3
55.01871	9.6
55.05506	3.2
57.03442	5.9
60.19052	2.3
61.02924	3.1
67.05491	6.4
68.99786	5.2
69.03423	21.4
69.58448	7.0
69.58865	13.0
70.06582	3.1
71.04984	5.9
73.02921	4.1
77.08393	2.5
79.05476	12.4
81.03416	27.5
81.07054	7.7
83.06117	3.4
83.08630	4.8
85.02904	65.2
85.03426	3.6
86.09696	6.9
87.00826	26.2
91.03946	2.6
91.05472	11.0
93.07051	3.6
95.04957	3.2
95.08582	3.6
97.02882	23.1
99.04450	9.9
99.54942	2.4
103.05470	4.0
105.01871	14.6
105.07018	5.4
107.04944	23.1
109.02877	24.6
109.06499	3.6
111.04443	2.6
115.03972	2.4
119.04913	5.9
121.10096	3.6
123.04421	13.9
124.05270	12.2
125.06000	4.8
127.03915	37.5
129.01816	6.7
131.04916	6.3
133.02875	6.2
135.04411	5.9
137.05989	10.0
138.06339	3.2
139.07574	21.4
145.04953	16.9
147.03294	4.2
147.04396	27.3
148.05026	3.5
149.06006	5.0
151.03937	3.3
151.07616	2.9
152.04671	8.5
153.01843	9.5
153.05461	3.7
159.02887	15.7
161.06007	6.7
163.07498	5.0
167.07025	78.4
168.07443	4.5
173.05881	3.4
175.03836	2.7
176.04672	5.0
177.05515	3.5
178.06001	3.3
179.07010	3.9
181.04926	11.0
184.07387	3.1
189.03928	3.2
189.05528	4.7
191.07069	9.4
203.03410	15.6
210.14908	4.6
213.09146	5.1
215.03435	6.0
226.06102	3.2
227.06923	4.7
231.02859	5.6
231.04922	4.7
232.06004	3.3
234.07671	9.6
238.06325	3.1
241.08585	10.6
243.06390	3.1
251.07103	4.9
255.06371	4.1
262.07220	12.2
269.08093	13.7
270.08957	5.4
273.11203	6.5
274.07083	5.6
286.08353	6.0
299.09256	13.8
301.10699	100.0
301.14163	5.6
303.45432	2.8
325.10724	19.3
337.06992	3.3
337.10678	4.8
343.11810	12.4
350.29886	2.9
356.98053	3.7
367.11755	11.3
391.11755	8.4
396.10822	6.5
409.12778	10.9
513.14221	3.1
566.20654	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	566.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01867	1.2
57.03409	0.7
61.02917	1.0
68.99771	1.5
69.03423	3.9
70.20760	2.1
73.02920	1.0
75.40588	0.5
75.70876	0.5
79.05493	2.9
81.03429	4.0
85.02902	11.3
87.00822	4.3
91.05480	0.9
95.04951	1.6
96.80524	0.6
97.02895	3.9
99.04436	2.2
103.03948	1.2
105.01870	3.9
105.03426	0.6
107.04941	2.0
109.02899	3.2
119.04952	0.9
121.06495	0.6
123.04421	35.5
127.03905	6.5
129.01808	1.6
131.04941	0.7
133.06480	12.5
135.04414	7.4
137.05943	1.3
141.61520	0.6
145.04977	3.1
147.02988	1.3
147.04384	8.3
149.05977	1.8
159.02859	1.9
160.05125	0.7
161.05974	13.3
165.05472	100.0
173.05977	1.0
179.07027	2.0
184.93140	0.7
185.06000	0.9
189.03990	1.2
189.05463	6.2
191.07013	6.4
195.96149	0.6
211.00267	0.5
215.07005	1.0
231.04623	0.9
231.06532	2.2
239.06972	0.8
249.07802	0.7
301.10724	9.5
325.10712	3.8
335.07559	1.9
343.11740	2.8
367.11703	4.7
391.11652	2.0
409.12790	5.3
461.56781	0.7
495.12842	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	6.6
55.05504	22.7
55.14874	7.0
57.03421	17.8
57.07064	42.2
62.59443	7.3
67.05509	52.1
69.07053	29.8
71.08618	22.6
71.58994	7.0
79.05478	33.5
81.03419	35.6
81.07066	52.7
81.33009	6.6
83.04971	9.0
83.08612	24.2
85.10159	16.4
87.11227	6.2
91.05463	27.8
93.07058	49.2
95.04969	67.0
95.08635	41.7
97.10173	16.1
105.07025	30.7
107.08591	37.5
109.02869	15.2
109.06516	8.2
109.10172	35.3
117.07026	11.4
119.08580	27.1
121.10159	25.1
123.04429	72.9
129.07031	9.5
131.08624	12.3
133.10115	20.0
135.08025	9.8
135.11708	18.5
143.08543	8.3
145.10135	40.5
147.08043	8.9
147.11700	13.0
155.08615	7.5
157.10152	14.0
163.11163	13.4
171.11646	20.3
173.09604	13.1
181.10246	10.3
187.65637	7.5
189.12811	8.6
207.13760	15.6
217.12160	11.9
221.13245	7.3
235.13269	100.0
241.47450	7.8
309.16971	47.7
313.27390	88.6
437.06927	9.1
547.39893	65.9
565.40424	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04792	4.2
50.35201	3.8
50.36699	3.6
55.05514	9.5
57.07069	8.5
61.21476	4.2
67.05506	21.2
69.07059	12.4
69.61414	4.0
69.83996	4.0
71.08620	5.7
71.59676	5.8
79.05496	16.3
81.03409	4.8
81.06631	3.7
81.07051	27.0
83.04957	4.3
83.08601	7.2
87.85976	4.7
91.05476	23.6
93.07040	31.0
95.04967	8.1
95.08611	28.0
105.07036	42.6
107.08611	31.0
109.06469	5.3
109.10169	16.2
117.07019	13.5
119.08592	48.3
121.10151	37.5
123.04406	9.7
123.08086	7.9
123.11680	8.1
129.07005	11.5
131.08572	17.1
133.10155	24.8
135.08035	6.3
135.11708	16.4
137.09654	7.1
137.34082	4.0
142.07785	8.2
143.08569	20.6
145.10129	31.1
147.08099	8.7
147.11696	10.8
149.09567	4.7
151.07487	5.3
155.08600	7.0
156.09465	6.3
157.10141	26.2
159.11690	22.1
161.09624	7.5
163.11215	9.3
165.09100	12.9
167.10690	6.7
169.10126	11.8
171.11684	18.5
173.13266	15.7
179.08562	9.7
181.10217	5.6
183.11710	13.4
185.13185	12.4
187.14856	6.6
189.12772	10.9
193.10210	6.5
194.10860	6.9
195.11722	12.0
196.12384	6.3
197.13234	11.2
199.14702	6.9
203.14201	5.7
206.11130	5.0
207.11760	9.4
207.13838	9.6
209.13298	13.9
211.14848	10.4
219.11659	11.0
221.13344	9.1
221.15393	30.5
223.14931	10.5
225.16481	6.1
231.32930	4.6
233.13194	7.4
235.13159	11.2
245.13356	9.3
246.13846	5.1
249.16429	7.7
261.16470	5.3
265.19434	7.7
275.18079	10.7
277.19644	6.4
307.98691	5.4
309.16974	8.8
313.27451	15.1
331.24088	6.4
385.28842	6.7
431.34021	4.8
473.34052	9.8
547.39459	17.9
555.81213	5.1
565.40393	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49678	2.8
50.91938	3.3
53.03945	4.8
55.01859	4.1
55.05516	17.7
57.07061	11.5
67.05507	35.9
69.07073	22.5
69.85915	19.7
71.05000	3.9
77.18659	3.2
79.05502	32.1
79.16130	3.7
81.07053	42.0
83.04959	7.5
83.08614	13.9
85.06524	5.9
91.05483	32.9
93.07043	47.0
93.54943	3.8
95.04961	16.0
95.08616	36.1
97.06525	6.5
97.10204	6.7
97.74630	3.3
103.05488	4.7
105.07036	60.0
107.08598	37.2
109.06486	5.2
109.10168	27.3
115.05471	4.7
117.07007	13.1
119.08592	63.7
121.10142	46.6
123.04423	5.9
123.08016	6.8
123.11730	9.4
124.30268	3.5
125.09612	6.6
128.06218	10.3
129.06981	15.1
130.07751	5.1
131.08577	23.1
133.10130	37.9
135.08044	10.4
135.11687	17.2
135.38991	3.6
137.09641	6.2
141.06973	6.8
142.07796	15.7
143.08569	27.6
145.10112	44.2
147.08073	8.7
147.11659	13.9
149.09601	5.1
151.07501	5.3
153.06937	3.8
155.08546	15.7
156.09361	13.6
157.10139	42.8
158.10884	7.5
159.08038	6.2
159.11667	26.4
161.13249	8.6
163.11182	7.5
165.06923	5.1
165.09102	11.9
167.08514	10.6
167.10689	18.9
168.09322	5.8
169.10118	29.1
170.10854	4.8
171.11674	27.7
173.13287	21.0
175.14827	9.0
179.08620	10.2
181.10100	13.0
182.10934	7.4
183.11684	15.9
184.12411	3.7
185.13254	14.8
187.14856	4.9
189.12720	7.4
192.09335	4.7
193.10124	8.5
194.10818	8.1
194.31439	4.2
195.11684	18.6
197.13281	17.0
199.14824	19.6
201.16420	5.4
206.10957	5.5
207.11655	14.2
207.13539	4.3
208.12473	6.5
209.13278	17.1
210.14142	6.4
211.14827	11.5
219.11691	8.6
220.12463	5.2
221.13268	14.2
221.15369	18.2
223.14809	7.2
225.16458	5.4
231.11540	3.9
233.13243	8.9
233.15370	8.3
235.14810	9.9
237.16440	4.6
244.12418	5.6
245.13289	6.7
246.14145	4.8
247.14836	5.0
249.16353	4.6
251.17963	4.9
260.15610	6.1
261.16403	10.9
263.17889	8.1
265.19458	5.8
271.14865	3.8
273.16489	4.3
275.17850	7.9
277.19550	5.2
299.18018	3.5
300.54858	3.5
309.16925	4.5
313.27289	10.5
331.24255	7.3
373.25424	5.9
450.74841	4.0
473.33942	13.6
547.39502	21.5
565.40442	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	21.0
53.37936	4.1
53.83364	4.4
55.01878	6.4
55.05510	19.9
67.05502	61.4
68.99777	9.6
69.03414	8.7
69.07066	8.6
69.63856	36.5
71.04995	4.8
79.05495	73.0
81.03417	30.2
81.07056	51.9
83.04979	11.8
83.08647	8.0
84.05476	4.1
85.02905	7.4
85.06539	9.9
85.80044	4.4
88.13634	4.1
91.05479	66.9
92.75660	4.5
93.07046	100.0
95.04979	38.4
95.08606	22.0
97.02899	19.2
97.06549	7.5
105.07040	36.8
107.04989	8.2
107.08562	20.8
109.02872	72.2
109.06519	23.2
109.10178	8.8
111.04455	5.2
111.08062	8.5
113.05969	5.5
115.05428	5.6
116.96698	4.9
117.07020	13.6
119.08555	25.1
121.10162	10.5
123.04481	9.7
123.08048	8.1
127.03909	43.9
128.06247	5.9
129.07004	29.2
131.08594	6.3
133.06483	4.7
133.10147	12.6
143.08578	14.9
145.06544	4.2
145.10118	13.4
147.08023	8.0
147.11690	62.6
149.06090	4.6
151.07529	25.4
160.40218	4.3
161.06004	9.2
161.09628	9.9
161.13232	9.9
163.03883	5.6
171.11668	52.4
175.07538	4.9
179.07043	44.6
189.12779	26.1
190.88391	4.4
197.08098	51.0
207.13788	97.7
217.05014	12.0
221.08105	6.8
225.14842	5.8
235.06166	6.8
239.09094	7.5
315.16000	6.8
351.18063	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	565.4037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.8
55.05513	11.2
57.07073	10.9
67.05502	25.2
69.07069	14.7
70.84931	9.9
79.05489	18.0
80.22604	5.0
81.07058	31.3
83.08607	8.2
91.05463	27.0
93.07049	38.1
95.04980	8.3
95.08614	27.8
97.06535	7.3
98.98434	4.5
105.07033	49.9
107.08578	30.2
109.06540	4.8
109.10182	26.7
117.07011	10.3
119.08588	57.0
121.10139	40.8
123.08063	7.2
123.11736	8.3
128.06184	4.5
129.07013	12.7
131.08617	22.1
133.10130	36.7
135.11685	18.3
137.09647	5.5
141.06981	8.6
142.07722	10.7
143.08542	26.9
145.10130	39.9
147.07996	5.5
147.11699	16.5
149.09743	5.5
156.09348	14.2
157.10172	32.1
159.11711	21.2
163.11224	6.6
165.09094	12.2
167.08627	7.7
167.10683	17.9
169.10139	18.1
170.10988	8.1
171.11711	27.4
173.13229	25.0
175.14926	5.4
179.08545	8.2
181.10147	12.9
182.10840	8.4
183.11736	16.5
185.13264	13.7
187.14818	7.8
193.10118	8.2
194.10933	5.9
195.11729	19.8
196.12491	7.9
197.13246	13.9
199.14827	9.7
201.16444	5.0
206.10909	8.7
207.11754	16.3
209.13293	22.2
219.11824	6.2
220.12416	5.1
221.13223	14.2
221.15387	19.5
223.14746	11.8
225.16411	7.6
227.14299	4.8
231.11577	5.2
233.13226	4.9
235.14854	6.9
237.16461	7.7
245.13350	7.3
247.14696	6.2
249.16472	6.7
251.17999	9.1
261.16290	5.3
263.17889	8.9
265.19525	8.5
275.17865	5.9
277.19662	5.4
289.19183	4.8
317.22678	5.3
331.24203	6.6
467.37115	5.0
473.34302	11.0
547.39496	22.3
565.40521	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.9
57.03011	2.8
61.02921	3.9
67.05490	3.3
68.99787	9.1
69.03413	3.9
73.02888	3.0
76.92793	3.1
79.05490	7.7
81.03413	6.3
85.02887	17.2
87.00825	5.5
91.05472	14.1
93.07047	7.2
95.04966	5.9
95.08606	5.2
97.02872	5.8
99.04459	5.2
103.05483	5.4
104.12726	2.8
105.01868	3.4
105.07039	20.4
107.04956	69.7
107.08571	3.8
109.02877	8.8
109.06467	3.7
115.05428	9.1
116.70721	2.7
117.07003	7.1
118.04147	4.0
119.04959	5.6
121.06488	7.0
123.04451	7.5
125.05972	4.0
127.03918	8.1
129.01839	4.4
131.04929	8.6
133.06508	29.9
133.10150	3.4
135.08047	37.5
136.65797	2.8
137.05978	34.8
139.03889	9.4
145.06519	6.9
146.03596	4.3
147.04388	11.2
147.08029	4.8
148.05180	40.4
149.06007	6.4
151.07533	13.8
153.05447	5.4
159.02936	4.5
159.08066	8.0
161.05991	36.8
162.06674	4.0
163.03877	27.7
163.07542	100.0
165.09146	5.6
165.68999	3.3
167.07050	41.1
173.05905	3.7
175.07495	11.8
177.05528	4.7
177.09146	3.4
178.06245	67.6
179.07002	6.0
181.04922	10.9
181.06384	3.4
181.08591	7.1
187.07507	5.9
189.64717	3.3
190.06285	4.7
193.08615	54.3
201.09332	3.0
205.08595	16.8
207.10097	6.3
214.06250	4.5
217.08624	2.8
225.08972	3.3
229.08531	4.8
229.68562	3.7
233.08067	3.8
253.08615	4.1
257.08020	3.7
295.09488	3.3
297.11563	3.7
303.04987	4.3
317.06561	6.1
317.13818	76.5
329.13895	8.2
339.12225	4.7
341.13623	15.2
359.14841	7.8
383.14883	8.5
407.14828	4.3
565.21252	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	565.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.4
55.01862	8.7
61.02914	6.1
64.36321	3.2
65.03936	3.3
68.99790	11.7
69.03419	10.5
69.07047	3.4
70.09905	8.2
70.10322	11.2
73.02905	4.0
79.05500	18.3
79.94443	3.4
81.03414	12.7
85.02906	37.4
87.00828	15.7
91.05475	13.6
93.07064	7.3
95.04976	14.6
95.08614	4.8
97.02889	12.6
99.04459	8.2
103.03920	3.6
103.05470	10.1
105.01873	9.9
105.07021	27.9
106.08922	3.1
107.04951	86.1
108.56027	3.3
109.02860	11.9
112.30022	3.7
115.03983	4.6
115.05445	7.6
117.07019	8.6
118.04128	5.2
119.04903	4.9
121.06512	12.1
123.04425	9.6
124.69119	3.8
125.06014	5.7
127.03905	13.5
129.01828	5.1
129.07030	4.9
131.04942	13.4
131.08592	6.8
133.06491	43.6
135.04419	5.4
135.08052	38.1
137.05971	47.1
145.04938	6.7
145.06479	10.6
147.02884	5.0
147.04375	11.0
147.08061	14.2
148.05177	44.1
149.05998	6.4
151.07526	33.4
152.04639	7.9
153.05475	7.5
159.02914	4.4
159.08089	25.8
160.05168	5.0
161.05974	61.4
162.06720	5.7
163.03900	28.0
163.07535	100.0
165.09113	4.2
166.06168	3.7
167.07040	41.0
172.05243	6.3
175.07553	20.3
177.05537	3.7
177.09100	8.7
178.06264	90.7
179.07028	5.3
181.04939	7.0
181.08609	13.5
185.05951	7.8
187.07568	23.9
188.08217	4.4
189.03897	4.0
189.09070	4.8
190.06245	12.1
191.07021	12.6
193.08597	74.3
193.10312	6.0
195.08244	3.7
199.07576	6.2
201.09152	5.7
202.06247	3.8
205.08585	37.5
207.10280	5.0
211.07542	4.6
214.06340	5.5
215.06903	4.2
215.10707	3.4
217.08527	4.2
219.08170	4.4
225.09048	5.4
229.08636	7.1
235.07520	3.8
235.09705	4.3
245.08339	3.9
248.08258	3.9
253.08539	3.8
259.09738	5.3
263.07379	3.6
267.09995	4.0
271.09763	8.5
277.08572	4.1
283.09509	5.7
293.08261	4.5
294.08875	5.6
295.09540	4.6
296.10529	5.7
297.11157	4.1
302.04135	8.0
309.11432	6.0
317.06619	25.5
317.13837	62.5
327.12366	11.1
329.13745	16.2
339.12155	4.4
341.13809	31.3
349.21445	3.8
359.14828	30.5
365.13797	4.3
379.15277	7.3
383.14954	16.7
407.14673	12.8
425.15848	8.9
502.56525	3.7
529.16882	5.7
549.58911	3.6
565.20624	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.0
55.01856	7.9
55.43864	1.8
57.03425	3.9
61.02916	2.8
63.81676	2.2
65.03954	2.7
66.59457	2.1
67.05505	3.2
68.17932	1.7
68.99790	10.0
69.03432	11.2
69.25827	21.7
73.02908	2.3
79.05475	8.1
81.03423	10.4
85.02901	36.2
87.00823	12.2
91.05472	11.8
93.07016	3.4
95.04964	9.5
95.08595	2.6
97.02882	9.2
99.04466	4.7
103.03907	4.0
103.05453	7.9
105.01867	5.1
105.07021	20.9
107.04952	77.0
109.02845	6.4
113.11391	1.7
114.85751	1.8
115.03926	6.7
115.05457	7.6
117.06989	8.3
118.04192	4.0
119.04956	2.1
120.15519	1.8
121.06484	7.8
123.04388	6.6
124.05207	2.1
125.05988	4.9
127.03898	9.5
129.01819	7.7
129.06950	3.2
131.04897	14.0
131.08546	5.7
133.06485	44.4
135.04384	4.0
135.08047	41.8
137.05971	41.3
139.07564	2.6
143.08577	2.0
144.05632	3.4
145.04967	5.8
145.06461	8.1
147.02881	2.6
147.04381	10.7
147.08038	8.0
148.05186	47.0
149.05904	4.8
151.04033	2.1
151.07544	32.5
152.04697	3.1
153.05466	5.3
159.02858	4.7
159.08080	18.3
160.05212	3.2
160.57616	1.9
161.05988	57.1
162.06767	5.5
163.03917	30.6
163.07538	100.0
165.06920	1.8
165.09065	5.1
167.07042	31.2
172.05153	11.7
173.05923	3.7
175.07536	16.3
177.05487	3.8
177.09135	8.8
178.06248	88.6
179.07001	4.5
181.04868	2.4
181.08614	12.7
185.05922	5.3
187.07555	19.6
189.09073	4.3
190.06242	13.2
191.07021	6.1
193.08612	70.3
197.05870	2.1
198.06750	1.8
199.07506	3.7
201.09129	3.6
202.06219	4.8
203.06963	3.2
205.08600	36.5
206.09305	2.0
207.10126	7.5
211.07585	2.6
213.09042	2.5
214.06294	5.5
217.08595	4.7
219.10051	3.8
225.09084	4.2
227.07042	3.3
229.08636	10.2
235.07637	2.9
235.09743	4.0
239.07172	2.0
241.08247	2.5
249.09100	3.1
251.07033	3.5
253.08565	5.9
254.09204	2.2
259.09686	3.1
265.08762	2.6
266.09354	4.0
269.11667	3.2
270.08902	2.7
271.09671	6.8
277.08466	3.0
278.09277	4.0
281.08078	4.1
281.11804	2.6
283.09683	3.0
285.07922	1.9
285.11169	3.1
295.09708	9.4
296.10422	4.3
297.11121	5.7
299.09183	2.3
301.10699	6.7
303.12289	3.7
307.09641	2.2
309.11212	7.5
314.11517	2.6
317.13806	58.2
327.12305	9.4
329.13907	14.5
333.11273	2.2
341.13779	27.9
351.12057	2.5
353.13675	3.6
359.14841	19.8
365.14050	3.5
375.11932	2.9
383.14972	13.2
393.12082	2.0
407.14819	11.7
416.21268	2.0
425.15729	9.9
456.27652	1.9
507.94153	2.1
565.35931	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	565.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
54.25523	0.7
55.01871	2.8
61.02922	0.9
65.03939	0.9
67.05499	2.1
68.99787	2.9
69.03424	1.4
69.72469	4.3
69.72877	1.6
79.05481	6.7
80.41491	0.7
81.03409	2.9
81.07034	1.1
83.38349	0.8
83.47321	0.8
84.08991	0.7
84.10217	0.7
85.02893	4.2
87.00836	0.9
91.05465	4.6
93.07043	1.9
95.04972	4.7
95.08595	3.2
97.02865	1.1
98.21449	1.1
102.84573	0.8
103.05458	7.1
105.07033	12.8
106.04137	0.9
107.04951	60.9
107.08614	1.6
109.02888	1.7
109.06477	1.3
115.05453	3.9
117.07006	4.1
118.04153	2.3
119.04979	1.2
120.05749	1.3
121.06503	3.6
123.04409	3.4
124.05180	1.2
125.05978	1.9
127.03882	1.7
129.01939	1.1
129.65387	0.8
131.04941	3.2
132.05751	1.3
133.06487	29.6
135.04410	1.7
135.08054	33.5
137.05977	21.2
139.07559	1.8
145.04941	1.4
145.06508	4.5
147.04393	3.9
147.08076	3.1
148.05193	39.8
149.05948	1.3
151.03987	1.0
151.07552	3.9
152.04672	1.5
153.05522	2.1
159.08078	2.2
161.04628	1.6
161.05974	29.9
162.06721	1.2
163.03914	15.1
163.07539	100.0
164.08232	0.9
165.09093	2.1
167.07033	16.9
172.05177	1.4
174.79214	0.8
175.07573	2.7
177.05453	1.4
177.09137	3.6
178.06250	65.1
179.06935	1.1
181.08586	4.2
185.05989	1.0
187.07489	3.8
190.06238	2.2
193.08601	43.0
199.07541	0.9
201.09024	1.4
205.06789	0.8
205.08539	3.9
207.10201	3.4
207.96704	0.9
210.06709	1.4
225.09154	2.6
229.08623	1.0
242.09355	1.3
253.08592	3.5
255.06616	1.5
270.08920	1.6
271.09714	1.6
285.11249	3.5
301.10638	1.1
302.11340	1.3
317.13831	80.0
318.14127	1.6
320.16013	0.9
329.13733	1.3
341.13812	3.5
359.14871	2.7
383.14911	2.1
407.14944	1.2
453.80838	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09339	0.6
52.00763	0.5
53.03944	0.7
55.01862	1.6
57.03431	1.0
69.03415	1.0
71.01344	0.7
71.57924	0.6
73.02911	1.0
78.71550	0.5
79.05482	1.2
81.03417	3.6
81.07040	0.6
85.02910	4.5
87.00828	0.9
91.05482	1.2
93.07059	0.8
95.04971	0.8
97.02916	0.8
101.98367	0.5
105.01858	1.2
105.07022	1.0
107.04959	3.0
107.08601	0.6
108.05273	0.5
109.02181	0.5
109.02882	1.5
113.02366	0.7
116.98634	0.5
117.07004	0.7
117.77605	0.5
119.04916	0.6
119.08594	1.2
121.02856	1.2
121.06557	0.9
123.04443	3.1
127.03971	2.5
131.04951	0.6
131.08548	0.5
133.02846	0.6
133.06479	2.6
135.04401	1.6
136.60373	0.5
137.02344	86.7
141.01817	0.5
143.03387	1.3
147.04402	1.3
147.08022	0.8
149.02386	0.8
149.05966	2.0
153.01860	0.8
159.02853	0.6
161.06032	0.9
163.03932	2.8
163.07634	0.6
167.07085	1.5
173.06001	0.8
177.05463	0.7
179.03398	1.8
185.06007	0.6
187.07559	0.7
189.05437	0.7
191.07056	0.9
193.08592	1.5
207.10155	0.7
227.07059	1.2
227.10661	0.8
229.05171	0.8
235.09630	8.7
239.09233	0.8
241.12216	0.6
245.04465	0.8
253.05130	0.6
255.06549	0.7
269.11823	0.7
271.05856	2.9
279.10190	1.1
283.06146	1.2
283.09604	1.1
284.06912	0.7
287.05566	1.7
297.11246	1.3
299.05533	2.9
299.09167	1.5
300.06195	1.9
301.06995	1.4
301.10498	0.8
315.08746	1.2
315.12213	1.0
317.06708	1.2
317.10123	0.9
325.10538	3.4
327.08722	2.2
343.11819	2.6
353.10358	2.1
354.12827	2.6
371.11258	16.8
389.12299	100.0
390.13062	0.8
420.47855	0.6
458.04803	0.7
488.41229	0.6
552.03119	0.5
565.14886	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1343
Annotation	Theaflavin
Peak:m/z	Relative Intensity
54.25671	0.4
55.01873	1.2
65.03928	1.7
67.05509	1.1
68.99800	1.5
69.03415	1.2
69.59525	4.0
71.64429	0.6
75.67989	0.4
76.91086	0.5
81.03422	0.9
81.73140	0.5
83.04956	1.1
85.02894	0.7
88.07729	0.6
91.05459	0.6
93.03385	0.7
95.04967	1.5
97.02892	1.4
103.05492	0.7
107.04939	1.6
109.02871	0.8
111.04453	3.7
119.04902	0.6
121.02844	0.5
123.04430	2.3
125.05964	0.5
127.03931	4.9
131.05008	0.6
133.02850	0.6
135.04448	0.7
137.05991	2.7
139.03900	100.0
140.04205	0.9
145.06430	0.9
147.04495	0.7
149.07372	0.7
150.05084	0.6
151.03905	15.7
153.01863	0.8
153.05428	0.8
157.06450	1.3
161.05997	1.2
163.03912	3.7
163.07564	0.9
165.05493	1.1
166.57837	0.6
167.07011	2.6
169.06488	1.4
171.04453	0.6
173.06067	0.8
175.07489	0.9
177.05565	0.7
181.04962	1.9
185.05907	1.0
187.07520	1.2
189.05475	1.5
193.08643	0.6
197.05945	1.7
199.03905	1.3
201.05553	0.8
203.07007	1.4
205.04987	0.7
213.05498	1.8
217.04951	2.0
219.08044	0.6
225.05524	1.5
229.04883	2.7
231.06546	1.9
237.05539	1.3
241.04900	1.1
243.06485	2.3
245.04404	0.9
253.05115	0.6
255.06517	1.9
257.04422	0.7
259.06082	5.3
265.04919	0.7
270.05359	0.6
271.06009	4.9
277.07019	3.5
283.05890	1.6
289.07135	2.2
317.06528	5.0
363.08878	0.8
367.08026	1.1
379.08237	1.5
391.08194	1.3
403.08218	1.9
409.09042	2.6
421.09241	1.7
427.10281	13.3
565.13196	5.0
565.20428	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1186
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03933	1.4
53.48457	0.7
55.01851	1.0
57.03414	1.1
61.02919	1.0
61.72444	0.6
64.35055	0.7
67.05482	0.7
68.99781	1.3
69.03428	5.8
70.71484	1.4
70.71849	1.3
71.04985	0.9
72.16927	0.7
73.02898	1.6
79.05510	0.8
81.03413	7.2
85.02894	8.7
87.00825	4.2
87.04450	0.7
93.03408	1.3
97.02890	6.2
99.04449	3.2
105.01830	1.7
107.04935	1.7
107.08609	0.7
109.02885	4.7
109.10153	1.4
119.08572	0.8
121.02880	1.0
127.03912	8.2
129.01776	0.8
133.02858	0.8
133.06479	0.7
133.10077	1.2
135.04422	2.3
137.05954	2.4
139.03899	1.1
145.04939	2.0
147.03029	0.7
147.04414	1.0
151.03871	1.6
153.01807	7.0
153.05492	0.8
159.02869	2.2
163.03859	1.1
165.05521	0.8
167.07050	3.4
173.05946	0.8
177.05417	0.9
179.03513	0.7
181.04927	2.3
181.73766	0.7
194.55081	0.8
201.05446	0.9
203.03357	0.7
211.07693	0.7
217.04790	1.1
224.62766	0.8
228.04108	1.3
229.04977	3.9
231.05061	1.1
244.03426	0.7
245.04405	1.3
246.05287	0.9
257.04471	2.8
271.06039	1.4
273.03830	1.4
274.04654	3.0
285.03796	3.6
302.04245	12.6
317.06540	100.0
318.06940	2.2
387.14490	0.8
464.21594	0.7
564.33685	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
53.48457	0.7
55.01851	1.0
57.03414	1.1
61.02919	1.0
61.72444	0.6
64.35055	0.7
67.05482	0.7
68.99781	1.3
69.03428	5.8
70.71484	1.4
70.71849	1.3
71.04985	0.9
72.16927	0.7
73.02898	1.6
79.05510	0.8
81.03413	7.2
85.02894	8.7
87.00825	4.2
87.04450	0.7
93.03408	1.3
97.02890	6.2
99.04449	3.2
105.01830	1.7
107.04935	1.7
107.08609	0.7
109.02885	4.7
109.10153	1.4
119.08572	0.8
121.02880	1.0
127.03912	8.2
129.01776	0.8
133.02858	0.8
133.06479	0.7
133.10077	1.2
135.04422	2.3
137.05954	2.4
139.03899	1.1
145.04939	2.0
147.03029	0.7
147.04414	1.0
151.03871	1.6
153.01807	7.0
153.05492	0.8
159.02869	2.2
163.03859	1.1
165.05521	0.8
167.07050	3.4
173.05946	0.8
177.05417	0.9
179.03513	0.7
181.04927	2.3
181.73766	0.7
194.55081	0.8
201.05446	0.9
203.03357	0.7
211.07693	0.7
217.04790	1.1
224.62766	0.8
228.04108	1.3
229.04977	3.9
231.05061	1.1
244.03426	0.7
245.04405	1.3
246.05287	0.9
257.04471	2.8
271.06039	1.4
273.03830	1.4
274.04654	3.0
285.03796	3.6
302.04245	12.6
317.06540	100.0
318.06940	2.2
387.14490	0.8
464.21594	0.7
564.33685	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.1
53.03942	1.6
55.01622	0.1
55.01871	1.6
57.03434	1.3
61.02917	1.3
65.03931	0.3
68.99782	1.1
69.03426	7.8
71.01353	0.1
71.04984	1.0
71.57931	0.2
71.58289	0.1
72.91489	0.1
73.02914	1.7
79.05479	0.1
81.03414	9.8
81.07039	0.1
83.01337	0.2
83.04969	0.1
85.02901	12.8
87.00826	6.5
87.04459	0.2
91.03971	0.6
91.05466	0.2
92.02635	1.0
93.03410	1.2
93.07086	0.1
95.04976	0.2
97.02888	4.9
99.04452	3.5
99.05096	0.2
101.02402	0.2
103.03932	0.1
103.05473	0.1
105.01859	3.5
105.07018	0.1
107.04964	0.6
109.02876	7.4
111.00757	0.2
115.03947	0.2
117.01856	1.3
119.04937	0.3
121.02871	1.0
122.03648	0.2
123.04407	0.3
126.03142	0.4
127.03910	9.8
129.01840	0.9
133.02879	0.2
135.04424	1.3
137.02350	0.4
137.05949	1.3
139.03885	1.1
141.01799	0.1
145.04953	2.8
145.06416	0.2
147.02887	0.6
147.04398	0.4
150.03064	0.2
151.03899	0.9
153.01823	8.2
159.02881	4.9
161.06032	0.1
163.03917	0.7
165.01819	0.8
167.07060	0.3
170.02177	0.1
171.02869	0.2
173.05997	0.2
177.05496	0.3
179.03494	0.1
179.07022	0.2
181.04958	0.3
183.02881	0.2
183.04326	0.2
189.05426	0.1
200.04745	0.3
201.05431	0.8
203.03381	0.6
207.02925	0.1
213.03929	0.3
217.04980	1.1
218.05750	0.6
219.02831	0.3
228.04173	1.5
229.04955	4.3
230.05670	0.1
231.02849	0.3
231.05016	0.9
239.03400	0.2
243.06551	0.2
245.04483	1.5
246.05228	2.0
247.02313	0.1
256.03693	0.3
257.04440	2.6
258.05060	0.1
260.03131	0.4
261.07492	0.4
271.05975	0.3
273.03940	1.8
274.01657	0.2
274.04700	4.3
284.03241	0.5
285.03922	4.8
286.04544	0.3
287.01819	0.2
288.06268	0.3
289.10501	0.2
301.03458	0.1
302.04196	13.2
303.04602	0.3
316.05667	0.1
317.06540	100.0
318.06885	2.5
359.07645	0.4
383.07318	0.1
387.14392	0.6
425.08545	0.2
564.34125	0.1
565.19891	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	564.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81614	11.1
53.03920	12.8
55.05501	39.7
57.03430	27.5
57.27806	10.8
59.00018	11.1
59.83974	10.6
61.02920	17.5
67.05505	69.1
67.57153	10.4
69.07056	39.5
71.04967	18.9
71.58700	13.9
75.13107	10.2
75.74113	10.9
79.05482	88.8
81.03429	23.3
81.07054	100.0
83.04982	14.4
83.08602	17.0
84.52171	10.2
85.02909	24.4
90.28746	12.0
91.03938	14.8
91.05483	80.7
93.07040	84.5
95.04907	23.0
95.08614	52.7
97.02900	18.8
97.06545	30.4
105.07045	79.8
107.04942	13.5
107.07932	11.4
107.08588	54.2
109.10187	17.5
111.08139	16.7
119.08579	51.4
121.10165	34.1
122.11631	11.6
123.08120	13.4
129.63069	11.0
131.08536	33.6
133.10130	50.5
134.06743	11.2
135.11696	23.5
145.10097	19.4
147.11696	31.5
149.13255	20.7
151.11307	13.2
157.10126	17.4
159.11678	28.9
161.13261	24.2
171.11743	20.5
173.13319	13.4
199.14511	13.4
212.34221	11.6
213.45871	10.7
241.19600	19.9
259.20596	43.4
269.17413	40.1
275.20041	30.1
275.41025	11.4
351.25418	51.0
355.16833	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	564.338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	15.5
55.05501	37.6
57.03418	25.3
65.03937	11.1
67.05505	100.0
69.03425	15.8
69.07068	28.7
71.59545	20.4
79.05499	58.8
81.03428	18.1
81.07062	93.2
81.35466	13.6
82.07364	11.8
83.04964	12.2
91.05487	87.4
92.90292	10.9
93.07041	99.5
93.92960	10.1
95.04932	21.1
95.08598	50.1
97.06525	16.3
105.07033	98.6
107.04943	11.6
107.08594	45.6
109.06491	18.5
109.10162	30.0
117.06998	24.0
119.08611	33.0
121.10098	38.3
127.72303	12.0
131.08551	38.9
133.10132	43.2
135.11710	38.0
139.03914	29.7
143.08577	19.7
145.10149	27.7
147.11676	26.3
149.13284	32.3
157.10199	12.0
159.11678	23.6
161.13327	12.4
175.14771	15.1
183.11465	11.6
259.20511	40.2
269.17499	63.7
275.19794	15.9
276.95468	11.5
351.25287	44.4
367.24094	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	13.5
55.05511	40.3
57.03428	20.1
57.07067	6.8
63.16497	7.8
67.05505	100.0
69.03427	26.0
69.07069	25.6
69.80230	7.8
70.75668	20.9
78.66927	8.9
79.05503	65.0
81.03407	23.6
81.07063	89.8
83.04987	11.1
83.08614	18.4
85.02904	23.1
91.05486	78.2
93.07053	93.3
95.04955	13.3
95.08611	50.6
97.02909	24.8
97.06522	21.4
99.04472	8.6
105.07040	48.4
107.08580	53.7
109.06532	15.4
109.10163	34.9
111.08092	15.8
112.52847	7.7
117.07008	31.4
118.58609	7.9
118.76335	8.6
119.08610	45.3
121.10144	29.3
123.04378	12.5
123.08078	7.4
125.09646	8.3
129.06995	16.8
131.08589	27.8
133.10135	43.2
135.11691	24.4
139.03909	16.2
145.04988	9.5
145.10124	34.6
147.11688	21.2
149.09680	11.3
149.13306	20.0
155.08603	8.7
159.11697	26.7
163.11174	15.6
169.86873	8.8
177.05464	12.7
177.12787	10.4
185.90683	8.7
208.34740	9.4
239.17899	12.0
245.90771	8.3
255.15927	49.6
257.19073	16.6
269.17496	87.4
275.17392	9.5
275.20114	54.9
309.20639	22.4
349.23715	65.1
367.24957	17.0
417.38773	8.6
526.31964	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	564.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	27.4
57.03419	20.5
67.05504	100.0
69.03431	25.6
69.07064	47.3
72.30217	14.8
79.05499	97.8
81.03415	63.9
81.07045	81.6
81.14683	15.7
83.04957	26.5
83.08607	40.9
85.02889	52.6
91.05477	67.6
93.07034	71.7
95.04965	58.4
95.08597	44.3
97.06528	24.5
97.10168	25.7
103.03954	24.6
105.07028	33.1
107.08591	64.2
109.02934	19.0
109.06521	19.8
109.10152	70.0
117.07026	21.9
119.08592	51.2
121.06473	21.7
123.08039	17.1
127.03895	48.6
131.08582	36.5
133.10132	60.9
143.08527	20.9
145.06689	18.2
145.10146	24.2
145.51207	16.3
147.11696	28.2
149.09537	24.1
157.10197	19.0
159.11742	23.2
173.11740	15.9
175.11177	21.8
229.14308	36.1
257.18991	28.2
269.17584	78.8
275.20078	46.7
275.51465	16.5
324.55740	17.2
345.55832	17.6
349.23828	64.0
367.24918	21.5
424.59644	16.9
435.85825	17.5
564.35736	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	564.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.5
55.01870	7.0
55.05515	16.2
57.03427	14.8
57.07073	4.7
61.02914	7.5
67.05508	53.0
69.03420	10.1
69.07068	30.2
69.32262	5.5
69.32659	29.6
71.04999	3.9
71.59979	3.4
79.05497	43.8
81.03408	10.0
81.07059	84.0
83.04980	16.1
83.08615	15.3
85.02897	14.7
85.06515	6.0
90.14121	3.0
90.67130	3.5
91.05474	36.5
93.07047	60.7
95.04968	12.7
95.08601	28.2
97.02908	7.6
97.06533	13.1
97.10181	10.4
105.07025	24.2
107.04948	10.4
107.08601	38.9
109.06516	6.9
109.10149	15.8
117.07026	18.5
119.08575	21.8
121.06493	4.1
121.10149	22.6
123.04360	4.0
123.11682	8.5
125.09644	8.0
127.03911	6.2
131.08568	16.5
133.10136	22.4
135.08026	7.3
135.11693	23.1
139.03986	4.1
145.10124	14.6
147.11679	9.6
149.09648	10.3
149.13254	24.6
155.08484	3.6
157.10274	3.5
159.11694	30.3
161.13254	6.9
163.11209	7.9
173.13234	7.5
177.12720	24.0
179.14281	12.7
195.13809	9.5
197.91609	4.3
215.14465	3.9
239.18132	3.4
255.15942	39.8
257.19025	8.7
269.17465	100.0
275.20001	25.1
349.23672	39.1
367.24863	11.1
564.33063	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	564.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	12.9
55.05499	26.4
57.03449	11.1
61.02922	10.6
67.05502	66.2
69.03432	11.3
69.07075	32.2
69.94936	28.2
78.14193	5.5
79.05486	50.6
79.19019	6.8
80.82803	5.8
81.03397	20.5
81.07058	67.4
83.04975	10.8
83.08604	25.3
85.02911	11.4
85.06580	6.3
91.05479	43.9
93.07049	66.1
95.01282	5.4
95.04958	13.7
95.08611	30.9
97.02879	8.0
97.06522	26.9
97.10145	15.8
105.07029	40.2
107.04995	9.0
107.08604	33.6
109.06516	8.8
109.10143	13.3
111.08093	6.6
117.06997	22.9
119.08568	25.6
121.06502	5.8
121.10145	23.2
123.03541	7.1
123.11690	6.1
125.09638	11.2
127.03932	7.0
129.06955	8.8
131.08549	27.7
133.10141	29.4
135.11668	27.6
142.10542	7.2
145.10124	16.1
147.11693	10.3
149.09663	10.8
149.13269	19.0
159.11707	28.4
161.13239	12.8
163.11221	11.9
172.84520	5.9
173.13139	10.0
177.12749	21.1
179.14201	14.9
189.11136	7.2
193.43297	7.0
195.13860	11.1
227.12672	8.7
247.20753	7.5
253.17946	6.4
254.89197	7.6
255.15866	50.6
257.18958	14.6
269.17474	100.0
275.20087	44.9
349.23743	75.4
367.24631	15.9
564.31696	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	564.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
65.86948	0.6
66.53313	0.8
69.07057	0.7
69.60646	3.0
69.61067	2.0
70.06580	1.0
71.04997	0.8
81.07040	0.8
84.08131	0.7
85.02909	1.6
85.95352	0.6
86.09705	74.7
88.04002	0.7
91.05467	1.5
93.07069	1.3
95.04967	0.8
96.21935	0.7
97.02907	0.8
103.05447	3.5
105.07024	0.7
120.08102	100.0
121.08410	1.0
123.04477	1.0
127.03915	1.1
134.04497	2.1
139.03871	1.7
143.11804	25.4
149.05899	0.9
151.03883	0.8
153.01759	1.2
161.96796	0.7
163.03874	1.2
167.03447	1.5
167.07085	0.8
171.11287	18.1
175.03989	0.8
181.04936	0.9
181.09798	1.3
189.48267	0.8
233.16478	32.2
234.16711	0.7
247.12953	2.6
261.15991	15.5
266.18707	0.8
267.06424	0.8
268.06833	0.9
284.19672	1.3
292.61139	0.7
298.07886	1.0
304.15054	4.7
315.08615	3.8
316.05539	1.3
316.08875	6.6
317.06458	3.6
317.09943	0.9
318.18121	22.6
334.43948	0.8
352.09091	0.9
403.27020	10.5
417.23416	1.1
427.21793	1.6
431.26358	2.6
564.30347	1.9
568.20349	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.2
55.01859	8.5
55.05264	3.1
55.05508	46.5
57.03441	11.0
57.07076	2.6
59.77543	2.6
60.92238	2.3
65.03933	4.4
67.05505	97.4
69.03431	3.3
69.07066	26.1
71.04987	6.3
79.05494	54.5
81.03425	20.7
81.07059	100.0
83.04980	11.3
83.08622	24.1
85.02884	8.5
85.06535	5.2
91.05476	55.4
93.07050	60.3
95.04971	16.5
95.08608	62.6
97.06517	10.4
97.10157	17.2
99.08081	6.3
105.07049	44.0
107.04949	5.2
107.08591	38.3
109.06497	6.4
109.10159	39.5
111.04432	7.4
111.08050	10.5
117.07002	15.4
119.08578	42.7
121.06490	2.8
121.10135	26.6
123.08037	5.6
123.11696	13.1
125.05927	3.5
125.09624	14.1
129.07004	10.1
131.08569	28.8
133.10141	30.2
135.08067	4.3
135.11673	18.1
137.09669	3.1
143.08568	11.2
145.10138	25.6
147.08017	5.8
147.11694	20.7
149.09637	6.0
149.13264	7.8
151.11174	5.2
153.12756	4.8
155.08546	7.2
157.10138	17.6
159.08069	3.4
159.11708	18.1
161.09593	2.8
161.13315	10.9
163.11194	7.4
163.14888	3.3
169.10089	4.8
170.08765	2.2
171.10234	1.9
171.11668	10.4
173.13264	14.4
175.11177	9.1
175.14806	5.2
177.12785	3.4
181.10161	4.2
181.12283	3.8
183.11697	6.8
185.13240	8.2
187.14839	6.0
189.11230	8.1
193.12263	17.7
195.11742	2.8
197.13281	5.0
199.14827	5.2
207.11592	2.6
209.13345	3.0
211.13248	30.4
211.14973	3.5
213.16412	2.7
225.16434	2.8
227.12737	13.3
229.14285	5.7
243.20807	3.1
261.22177	13.3
263.20065	3.7
267.20856	2.6
279.23074	4.2
285.13788	2.4
285.16910	12.7
285.22153	8.3
287.20462	2.7
301.25183	3.4
303.23102	7.5
317.24768	5.0
335.25775	15.3
341.24554	3.9
359.25790	3.9
376.12009	2.6
417.31149	4.4
435.32825	13.6
453.33545	14.5
469.32266	2.3
471.34753	11.7
473.32495	4.3
487.34210	3.0
489.35300	3.0
509.36246	3.0
518.65308	2.8
527.37433	27.0
545.30426	4.9
545.38300	64.5
563.31854	2.7
563.39429	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	563.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	35.8
57.44816	11.1
64.70448	10.9
67.05497	99.5
68.26373	10.7
69.07082	32.6
69.69956	84.7
79.05480	62.5
81.03432	14.1
81.07063	100.0
83.05000	13.4
83.08620	19.4
89.79231	10.9
91.05456	56.1
93.07040	71.0
95.04955	19.1
95.08617	54.6
105.07031	58.3
107.08596	27.9
109.06477	13.0
109.10152	26.9
114.29800	11.1
117.07027	29.3
119.08556	57.7
121.10160	42.3
123.08056	13.7
123.11678	18.4
129.06995	15.3
131.08612	34.3
133.10109	92.8
135.08025	14.7
135.11676	18.0
142.07686	15.2
143.08556	32.9
145.10159	30.2
147.08110	13.9
147.11769	15.9
149.13239	19.9
155.08531	16.2
157.10088	57.9
159.11671	27.7
165.09099	15.1
166.86333	13.6
169.10091	29.4
171.11746	31.0
173.13242	35.5
183.11749	22.6
185.13324	14.9
194.10791	12.3
195.11687	12.8
197.13268	21.7
209.13411	16.6
220.12640	13.9
221.13367	15.5
246.76109	12.5
251.62080	12.2
259.50632	14.0
334.53336	11.5
471.32483	42.5
545.38159	17.6
546.26782	14.1
563.39008	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
63.16019	0.2
69.03406	0.3
70.15283	1.0
81.06993	0.2
84.08118	0.3
84.34186	0.3
85.02896	0.3
92.54338	0.2
93.07023	0.3
95.04981	0.4
107.04932	0.7
121.02916	0.3
123.04410	0.5
129.10144	0.2
131.04897	0.3
137.02333	10.5
139.03912	0.4
146.41507	0.3
149.02364	3.4
153.05441	0.4
163.03929	0.8
164.04732	1.2
177.43883	0.3
184.05237	0.8
187.03864	0.7
189.05486	1.5
201.05515	0.3
211.04031	0.5
212.04678	4.7
213.05296	0.3
215.03355	3.4
223.03734	0.3
225.05441	0.4
226.06342	0.5
227.06984	0.4
229.04909	0.9
237.05399	0.3
239.03325	0.3
240.04185	4.5
253.04919	0.6
254.06017	0.5
255.06494	4.2
257.04434	6.9
258.04755	0.3
259.09744	0.4
264.76282	0.3
267.02844	0.5
268.03674	2.4
269.04398	1.0
272.06857	0.3
274.17126	0.3
282.05231	2.0
283.05997	4.0
284.06970	0.3
285.03934	28.4
286.04202	0.5
287.09174	0.6
299.05597	0.6
300.06281	17.0
315.08606	100.0
316.09006	1.9
563.13861	0.8
563.33801	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
63.37600	1.0
71.58334	1.7
85.48707	1.1
96.36813	1.2
118.95700	1.1
119.04971	1.7
122.70338	1.2
127.03892	1.1
134.03636	1.2
137.05948	1.4
139.03838	1.1
140.04158	1.3
141.07016	1.3
143.25150	1.3
147.04390	1.9
151.03928	1.4
167.03403	3.8
175.03952	1.6
177.05533	1.4
182.29044	1.5
184.03601	2.9
192.07658	1.2
193.26277	1.2
197.29912	1.2
212.04576	1.2
229.04732	1.4
240.04269	1.3
243.06404	1.4
244.07518	1.3
255.06567	2.7
259.09625	2.1
272.06747	1.8
285.07642	1.3
299.05676	2.5
299.09152	7.2
300.06265	18.4
315.08618	100.0
316.08871	1.3
346.23480	1.4
374.46448	1.4
485.64221	1.2
553.97473	1.3
563.37408	3.4
592.02490	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
60.87062	0.3
63.75025	0.3
69.52603	3.4
73.20036	0.4
87.67245	0.4
118.08704	0.4
119.07763	0.4
131.14296	0.4
134.03607	1.1
136.69737	0.4
138.03087	0.4
148.05145	0.5
167.03401	4.7
169.01344	0.5
173.32938	0.4
175.03874	0.5
177.66930	0.3
184.03670	3.9
184.05208	0.6
194.62376	0.4
195.04341	0.5
201.05487	0.6
212.04680	1.4
215.06870	0.4
216.07866	1.1
227.07036	0.8
229.04968	1.5
240.04247	2.0
243.06483	3.1
243.87956	0.4
244.07324	2.8
255.06497	3.6
257.04480	0.8
259.09653	1.0
267.02817	0.7
268.03644	1.3
271.06024	0.4
272.06778	1.4
283.06030	4.0
284.06558	0.5
285.03845	0.6
287.08987	0.4
287.24207	0.4
299.05463	4.3
300.06287	20.5
315.08609	100.0
316.08884	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	563.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.2
67.50677	0.2
68.99788	0.5
69.55905	0.4
69.56297	1.5
76.11349	0.2
96.02116	0.3
98.21526	0.2
111.04449	1.3
119.04951	2.0
121.06474	1.1
133.02791	0.4
134.03610	0.4
134.44318	0.2
135.04436	0.5
137.05971	0.4
139.03902	2.6
148.05182	2.0
149.05989	0.8
151.03908	0.6
152.01022	1.3
152.23131	0.2
163.03934	1.7
167.03403	8.0
175.03911	6.2
177.05482	0.2
179.03444	0.4
184.03720	0.4
184.05310	0.3
199.07613	0.5
212.04675	0.6
213.05678	0.4
215.07118	0.2
216.07896	0.3
226.06242	0.5
227.07005	1.2
229.05000	0.5
230.05832	0.3
231.06540	0.2
239.03391	0.2
240.04129	1.6
243.06564	0.9
244.07326	0.7
254.05780	0.7
255.06509	4.3
255.08904	0.4
256.07211	0.6
257.04373	1.0
259.09641	3.2
259.74966	0.2
271.05930	0.5
272.06812	1.8
282.05157	1.4
283.06036	0.6
285.03888	0.3
287.09158	1.6
297.07599	0.4
300.06320	4.3
315.08618	100.0
316.08963	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13536	0.2
53.03936	0.4
57.03436	0.3
63.34979	0.2
68.06628	0.2
68.99789	0.3
69.03427	1.4
70.06599	0.4
71.58267	0.3
76.27927	0.2
79.05461	0.3
79.66267	0.2
81.03429	1.2
81.07053	0.2
84.04482	0.2
85.02911	1.2
86.09708	0.3
87.00822	0.8
97.02885	0.7
99.04428	0.5
105.01870	0.4
107.04970	0.3
109.02882	1.1
111.83579	0.3
115.53165	0.2
123.00714	0.2
127.03920	1.0
134.03632	1.0
137.05983	0.4
139.03885	0.5
147.04367	0.3
151.03941	0.3
163.03931	0.3
167.03415	4.0
167.04808	0.4
167.54274	0.2
169.01300	0.6
177.05440	0.3
184.03685	2.8
184.05162	0.5
201.05502	0.5
212.04631	0.9
213.05522	0.4
215.07143	0.2
216.07805	0.7
219.10054	0.3
227.07077	0.6
229.04974	1.1
240.04187	1.8
243.06554	3.2
244.07332	2.1
254.05873	0.3
255.06490	2.1
257.04477	0.4
259.09659	1.1
267.02905	0.5
268.03766	1.3
270.72012	0.3
271.06116	1.1
272.06839	1.4
283.05994	3.1
285.03995	0.4
285.07532	0.3
297.07690	0.4
299.05496	2.6
300.06277	17.9
315.08606	100.0
316.08749	1.6
375.53568	0.3
427.57825	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
61.59867	0.1
65.62170	0.2
68.99813	0.4
69.03432	0.5
69.72946	1.2
81.03429	0.5
85.02922	0.6
87.00830	0.2
97.02895	0.3
105.01901	0.3
109.02898	0.5
127.03928	0.7
130.18062	0.2
132.05690	1.7
133.06509	0.5
135.04398	0.3
137.05975	0.2
140.01077	0.3
146.93202	0.1
159.02905	0.3
168.00540	1.8
179.03444	0.2
183.04427	0.2
186.01599	2.6
198.06842	0.3
210.01537	0.2
211.33919	0.2
226.06273	0.3
229.04901	0.9
239.03262	0.2
241.04918	0.3
243.06526	0.2
254.05687	1.0
255.06496	0.4
257.04425	2.1
269.04568	0.5
269.08051	0.6
270.05258	0.2
271.06027	1.4
272.06735	1.5
282.05188	0.7
283.05881	0.3
284.03094	0.2
285.03940	7.5
296.60678	0.2
297.07535	0.2
299.05524	7.8
300.06277	61.6
301.06638	1.4
302.04242	0.4
315.08606	100.0
316.08920	2.3
539.58923	0.2
572.15411	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30488	0.3
50.63931	0.2
56.60048	0.3
68.99787	0.4
70.06590	0.3
70.92177	0.7
81.03397	0.4
82.58034	0.3
85.02881	0.5
86.09689	0.4
86.64188	0.3
89.47046	0.3
90.12646	0.2
107.04953	1.6
121.06473	0.4
121.66240	0.2
123.00763	0.6
123.04427	0.8
127.03877	0.7
134.03615	1.1
139.03893	1.4
151.03867	0.4
153.01860	0.5
160.55717	0.3
163.03894	0.6
167.03407	4.0
167.04802	0.4
169.01306	0.6
175.03885	0.3
184.03677	3.4
184.05141	0.4
187.03925	0.3
195.04364	0.3
201.05421	0.6
212.04677	1.1
213.05359	0.5
215.07025	0.6
216.07785	1.0
223.03902	0.3
226.06192	0.3
227.07077	1.3
228.04178	0.5
229.04922	1.5
240.04134	2.7
243.06487	3.1
244.07281	3.2
254.05733	0.8
255.06517	3.5
257.04401	0.5
259.09650	1.0
267.02832	0.6
268.03705	2.4
271.05948	1.6
272.06763	1.7
283.05984	5.2
285.03909	0.7
287.05557	0.8
287.08905	0.5
299.05447	3.9
300.06265	19.8
301.06772	0.9
315.08594	100.0
316.08939	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	563.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
60.87062	0.3
63.75025	0.3
69.52603	3.4
73.20036	0.4
87.67245	0.4
118.08704	0.4
119.07763	0.4
131.14296	0.4
134.03607	1.1
136.69737	0.4
138.03087	0.4
148.05145	0.5
167.03401	4.7
169.01344	0.5
173.32938	0.4
175.03874	0.5
177.66930	0.3
184.03670	3.9
184.05208	0.6
194.62376	0.4
195.04341	0.5
201.05487	0.6
212.04680	1.4
215.06870	0.4
216.07866	1.1
227.07036	0.8
229.04968	1.5
240.04247	2.0
243.06483	3.1
243.87956	0.4
244.07324	2.8
255.06497	3.6
257.04480	0.8
259.09653	1.0
267.02817	0.7
268.03644	1.3
271.06024	0.4
272.06778	1.4
283.06030	4.0
284.06558	0.5
285.03845	0.6
287.08987	0.4
287.24207	0.4
299.05463	4.3
300.06287	20.5
315.08609	100.0
316.08884	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	562.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01134	1.2
66.51878	1.1
67.05499	2.1
69.56010	8.0
73.04757	3.2
73.06568	2.1
75.94121	1.2
77.00603	9.7
79.02168	2.7
79.05510	1.4
81.07066	2.1
89.06039	7.0
91.05815	13.0
93.07004	1.3
95.01643	100.0
96.01591	1.2
96.99601	1.4
98.20708	1.2
99.02663	2.1
101.04214	2.0
103.02162	1.5
104.10738	2.8
113.02670	7.5
114.07365	2.2
117.03699	1.4
117.07354	7.8
117.09121	1.5
118.03195	10.3
119.01630	3.2
121.03176	7.4
133.08626	1.5
145.06793	27.4
147.04730	54.9
161.09969	4.6
165.05818	15.8
169.03545	2.5
189.09389	13.0
191.07321	15.2
233.12100	4.1
235.09920	6.7
239.09477	6.5
265.11136	1.4
293.21292	1.3
294.21616	1.6
331.42307	1.3
365.19815	5.7
562.39142	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	6.0
55.05505	22.1
57.03422	13.3
64.67193	3.0
67.05238	3.0
67.05511	33.3
69.03427	9.7
69.07057	16.4
69.99981	7.7
70.00391	11.2
71.04990	5.1
79.05104	4.7
79.05492	34.7
81.03415	89.2
81.07064	34.2
83.04980	11.3
83.08622	24.3
85.02889	12.8
91.05473	36.4
93.07053	21.3
95.04979	24.9
95.08615	13.7
97.02884	6.7
97.06534	5.2
97.10152	12.3
105.07022	24.9
107.04918	7.9
107.08598	13.1
109.06524	7.2
109.10149	8.5
111.08074	11.9
113.86893	3.5
119.08572	22.8
121.06529	3.8
121.10135	8.8
125.09619	6.8
129.07019	16.6
131.08546	15.5
133.10144	12.5
135.08026	3.7
137.09636	3.9
139.03929	5.8
142.07706	4.2
143.08461	3.0
145.06496	6.1
145.10100	4.5
147.08022	6.3
147.11678	11.6
149.09587	9.0
157.10138	10.7
159.11754	4.8
175.11212	13.3
193.12253	36.8
205.12244	4.1
211.13191	19.7
223.13345	6.8
227.12715	4.3
242.22650	3.3
249.14787	4.7
267.15906	100.0
285.16956	23.7
291.19531	30.8
365.23236	41.4
367.22668	10.2
385.23776	9.6
433.25894	8.2
441.26331	4.8
459.27423	39.1
477.28455	35.1
562.34406	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	562.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	10.2
55.05514	39.9
56.90050	6.6
57.03431	21.9
64.28381	7.8
67.05509	51.4
69.03443	18.4
69.07063	25.8
70.27419	25.1
79.05494	49.5
81.03419	100.0
81.07064	47.1
82.39045	7.2
83.04987	20.1
83.08610	28.9
84.53478	7.1
85.02894	20.9
90.94977	7.9
91.05478	47.3
93.07046	30.0
95.04963	34.6
95.08611	17.5
97.02892	14.5
97.06494	10.5
97.10183	18.5
97.49577	7.2
101.60564	8.0
105.07024	33.0
107.04942	12.7
107.08590	21.6
109.06537	11.7
109.10169	17.0
111.08089	15.0
117.07013	8.7
119.08570	33.3
121.10134	16.3
125.09629	20.8
129.06960	11.0
131.08565	21.1
133.10112	10.8
145.10167	13.7
147.11671	24.1
149.09619	14.4
157.10133	15.8
163.11101	9.4
175.11172	21.0
193.12241	42.2
211.13264	21.4
223.13307	13.7
251.96297	8.5
267.15964	84.7
273.18692	8.5
285.16956	28.5
291.19589	74.7
315.59146	8.0
365.23160	87.3
367.22653	10.0
385.23495	13.1
438.52792	7.8
441.26157	8.6
459.27304	33.3
477.28766	40.8
505.22061	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	562.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	18.9
55.05499	27.6
55.79673	6.5
57.03416	11.0
66.49746	5.8
67.05502	63.7
68.05838	8.6
69.07056	26.0
71.04967	12.3
71.59048	11.9
79.05489	46.4
80.75924	6.4
81.03419	17.9
81.07050	82.1
83.04974	14.2
83.08634	12.5
85.02911	7.0
91.05492	59.9
93.07037	53.0
94.07363	13.0
95.04960	16.3
95.08598	28.2
97.06532	13.1
105.07023	60.9
107.04949	11.2
107.08585	35.5
109.06499	8.8
109.10132	57.2
117.07027	14.9
119.08573	21.5
120.97210	7.1
121.10121	12.5
123.11745	11.2
129.07002	10.2
131.08589	14.8
133.10124	74.4
135.08031	8.2
135.11714	12.7
139.03876	29.0
143.08543	10.0
145.10115	15.3
147.08223	6.3
147.11664	16.0
147.89825	6.9
149.09644	10.6
151.11160	28.5
161.09669	12.2
177.05524	12.2
190.13097	7.6
247.09552	6.8
253.14348	100.0
271.15353	20.6
272.29871	6.7
273.18613	23.8
276.20493	13.1
286.09979	7.6
291.19492	18.9
331.01572	7.2
365.23206	64.9
470.32843	8.4
527.81287	7.7
544.36597	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	562.322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36234	5.1
53.03940	5.7
55.01871	10.3
55.05517	32.7
57.03429	15.4
62.94376	5.7
67.05504	82.0
68.05847	7.5
68.39969	6.2
69.03414	10.7
69.07066	27.4
71.05002	9.7
71.59023	7.3
73.06520	5.4
77.24894	5.5
79.05499	36.4
81.03408	25.9
81.07055	71.8
82.07391	6.5
83.04987	16.4
83.08590	9.2
85.02899	8.3
85.06543	9.1
91.05463	60.0
92.05784	7.6
93.07043	49.4
95.04957	18.6
95.08599	30.9
97.02858	6.2
97.06516	11.4
97.10146	7.8
105.07021	49.2
107.04945	14.0
107.08575	41.8
109.06519	14.5
109.10166	54.1
111.08100	10.3
115.72584	5.4
117.07011	17.0
119.08547	26.3
120.08928	6.6
121.10135	14.6
122.87503	6.1
123.11672	7.6
125.09570	7.3
131.08548	23.7
133.06458	8.6
133.10130	58.6
135.08043	10.5
143.08554	7.5
145.10114	19.6
149.09592	10.0
151.11176	34.3
157.10124	10.2
159.11702	8.1
163.11163	7.9
171.11635	6.5
199.78354	6.7
245.19205	5.9
250.55334	6.2
253.14336	100.0
267.15863	13.6
271.15237	14.2
273.18524	20.8
285.16629	7.3
291.19556	19.3
365.23285	91.3
459.27563	12.8
470.33636	7.1
477.28467	8.2
544.36859	21.6
562.37378	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	562.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.7
55.01859	8.3
57.03431	15.1
59.04979	4.2
60.04521	3.1
61.02921	7.6
68.31605	2.9
68.99786	3.0
69.03429	85.8
69.88807	17.4
73.02905	11.8
74.56976	2.4
81.03418	31.5
83.04974	9.1
85.02905	100.0
87.00830	35.7
87.04472	21.5
91.03947	3.3
97.02894	85.7
99.04457	19.8
101.06976	3.1
105.01868	52.5
108.04491	3.3
109.02876	30.8
111.04453	6.6
115.03937	31.1
121.06554	5.7
123.04494	3.1
127.03911	80.2
129.01871	3.8
129.05507	4.0
132.33299	2.8
133.04950	11.2
137.05989	4.3
139.03925	7.9
145.04967	40.2
150.07562	14.4
151.03947	4.0
159.02875	19.9
165.01746	3.2
177.05475	7.1
189.09062	13.5
207.10143	3.9
213.04034	5.2
223.05975	5.1
231.05005	15.5
241.07083	9.9
273.11249	7.8
303.94785	2.8
315.08527	5.8
327.07111	11.0
345.08105	10.3
365.95813	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	561.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.1
55.01867	5.6
55.05510	30.6
57.03430	7.7
57.07066	4.0
65.03934	4.9
67.05501	89.2
69.03436	5.2
69.07069	20.0
70.85164	3.4
71.04990	29.7
71.08640	3.6
73.02901	2.2
79.05492	64.2
81.03413	7.1
81.07055	100.0
83.04968	11.7
83.08608	16.4
85.02921	2.3
85.06540	6.5
91.05478	54.1
93.06473	4.2
93.07042	71.3
95.04969	13.9
95.08601	63.9
97.06525	11.1
97.10152	4.2
99.08078	2.9
105.04437	1.8
105.06371	4.0
105.07020	35.9
107.04935	6.9
107.08591	48.1
109.06500	5.4
109.10156	21.5
109.22704	2.0
111.08101	6.1
111.73809	1.8
117.07041	12.4
119.08573	18.9
121.06544	4.0
121.10139	28.8
123.08073	3.8
123.11676	13.9
125.09611	3.9
129.07013	4.7
131.08557	18.3
133.06468	1.9
133.10114	32.3
135.08018	4.0
135.11685	29.0
137.09677	2.3
137.13240	3.2
139.11168	2.2
143.08595	3.8
145.10121	19.5
147.11673	9.3
149.09631	2.5
149.13300	9.8
151.11124	10.2
157.10199	4.7
159.11708	14.3
161.13205	9.4
163.11226	20.0
163.14819	3.9
165.12761	1.9
171.11771	3.4
173.13243	4.6
175.14899	3.2
177.12715	4.3
179.14252	3.9
181.12219	3.6
183.13789	9.1
187.14909	3.9
195.13852	4.3
227.12750	32.1
227.16418	3.4
253.14413	3.1
259.20624	3.3
261.22137	11.3
269.17505	2.8
277.21750	2.5
283.15512	10.7
283.18512	2.0
285.17078	2.2
287.23788	1.9
291.19492	3.4
293.21185	4.7
317.24844	4.8
335.25784	18.6
517.38971	12.6
529.39014	16.6
543.36627	12.7
561.41119	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	561.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.7
55.01860	6.2
55.05510	25.5
57.03424	7.7
57.07059	3.9
65.03928	6.6
66.66903	2.0
67.05499	88.4
69.03426	4.1
69.07064	22.7
69.91663	2.2
70.26737	7.8
71.04990	40.0
71.08627	2.2
79.05489	64.3
79.05965	3.4
81.03418	8.6
81.07052	100.0
82.07382	2.0
83.04974	11.5
83.08620	13.3
85.02914	2.1
85.06538	8.4
90.76345	1.9
91.05476	60.1
93.07035	68.3
93.62565	1.8
95.04973	15.5
95.08606	41.8
97.06530	9.2
97.10165	7.0
99.08138	2.7
105.07028	40.2
107.08588	38.8
109.06519	5.0
109.10146	23.3
111.08089	4.1
115.05431	2.4
117.06998	13.1
119.07766	2.9
119.08582	23.3
121.06483	3.2
121.10130	31.9
123.08099	2.7
123.11689	18.2
125.09615	5.0
129.07004	3.9
131.08562	25.8
133.10123	29.4
135.11681	15.1
143.08556	3.1
145.10126	10.3
147.07912	1.9
147.11667	14.0
149.13255	15.7
151.11174	11.6
153.12639	2.3
155.08563	3.4
157.10046	5.2
159.11665	13.7
161.13281	6.2
163.11186	3.9
169.10112	2.1
171.11639	3.7
173.13219	5.4
177.12767	4.7
183.11639	3.0
183.13826	14.5
193.12303	4.6
195.13814	4.4
227.12828	4.3
242.76668	2.1
259.20566	2.5
261.22211	3.8
267.16061	3.8
269.17462	3.2
285.17068	2.6
293.21191	3.0
304.14044	2.3
315.23166	2.3
327.23257	2.2
335.25723	4.5
363.25330	2.5
517.38879	18.6
529.38690	8.7
543.36713	7.8
561.40948	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	561.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.05506	28.4
56.11714	2.1
57.03418	6.4
57.07067	3.0
57.77732	2.3
65.03912	5.5
67.05500	84.7
69.07066	31.7
69.90742	13.8
71.04991	43.9
71.08617	3.3
71.57736	2.3
73.19201	2.1
73.38483	2.2
79.05065	4.4
79.05489	60.8
81.03402	6.7
81.07056	100.0
82.30183	2.1
83.04980	11.1
83.08624	13.6
85.06519	7.4
90.70542	2.2
91.04906	2.6
91.05475	54.3
93.07040	67.0
95.04972	16.3
95.08601	43.7
97.06520	8.5
97.10153	7.3
99.08060	4.1
105.07034	37.5
107.08585	40.0
109.06487	2.8
109.10164	18.0
111.08089	3.9
112.06133	2.2
117.07014	12.5
119.08571	22.2
121.06497	4.4
121.10143	22.4
123.08101	3.8
123.11692	16.0
125.09620	3.6
129.06975	5.9
131.08549	20.4
133.10117	34.2
135.11697	12.2
145.10106	13.8
146.58363	2.7
147.11673	9.8
149.13258	13.0
151.11139	11.9
157.10098	6.2
159.11694	12.7
161.13313	5.7
173.13257	4.0
175.14853	3.7
177.12730	4.4
183.13754	11.9
195.13806	3.4
223.13222	4.6
229.14371	2.6
269.17374	3.8
285.16953	6.1
437.33893	2.8
510.38022	2.5
517.39111	15.8
529.38763	21.2
543.40289	7.4
561.41559	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49303	2.7
51.02401	3.3
52.57997	2.5
52.63453	3.1
53.03941	7.9
54.68567	2.6
55.01868	9.4
55.05517	28.0
55.39117	3.0
55.40136	3.2
56.82882	2.9
57.03431	12.9
57.07059	4.9
59.10983	2.8
65.03926	7.0
67.05134	5.1
67.05504	79.2
68.59179	2.8
69.07067	28.6
71.04994	7.8
71.08622	8.6
71.59174	4.3
79.05494	67.3
81.03421	26.6
81.07060	100.0
83.04984	13.2
83.08615	20.5
85.02890	5.5
85.06563	5.5
91.05476	67.2
93.07047	56.9
95.04975	16.3
95.08607	48.2
95.09169	4.7
95.47009	3.4
97.06526	12.6
97.10167	13.8
99.08081	9.0
105.07031	59.7
107.04967	9.4
107.08602	38.0
109.06539	10.0
109.10160	22.1
111.08071	8.3
113.09644	2.9
117.07006	22.6
119.08581	55.4
121.06508	8.8
121.10137	28.9
123.08064	5.5
123.11696	12.1
125.09631	6.7
128.40083	2.8
129.06996	18.5
131.08549	25.5
133.06511	3.7
133.10143	30.2
135.08070	7.9
135.11711	18.8
135.89745	3.1
137.09599	4.1
141.06891	2.9
143.08568	11.5
144.08917	3.2
145.10097	19.9
147.11673	51.7
149.09637	5.4
149.13266	14.2
151.11179	9.0
155.08499	3.1
157.10188	11.7
159.11719	14.0
161.13234	19.4
163.11150	3.8
165.12776	20.3
169.10085	4.4
171.11736	8.9
173.13225	7.3
175.11182	7.1
175.14839	5.5
179.14340	9.8
183.11661	3.8
185.13283	8.6
189.11166	4.2
191.14291	3.6
193.12230	9.3
193.26215	3.3
197.13307	4.3
199.14842	3.9
207.17412	4.8
209.43080	4.0
211.13202	7.1
227.12750	4.6
229.14500	3.8
241.19492	13.4
259.20569	28.1
267.15897	28.1
275.20090	11.6
277.21585	22.3
285.16849	23.2
315.23105	4.1
333.24133	16.0
349.23633	5.3
351.25296	8.8
358.59528	3.2
433.30969	3.5
451.32022	5.3
463.30658	6.0
469.33008	7.1
487.33716	3.8
501.35504	3.6
525.35553	6.2
531.02203	3.5
543.36700	39.0
561.30774	3.8
561.37805	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	561.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.7
55.05507	23.3
57.03432	10.1
57.07058	3.5
67.05173	4.2
67.05505	62.1
69.03469	2.5
69.07068	23.1
69.84325	15.6
71.04990	6.6
71.08633	6.5
71.57243	2.1
73.90794	2.3
79.05494	51.3
81.03416	11.6
81.07058	100.0
82.07415	2.5
83.04997	11.5
83.08627	15.2
85.06539	7.8
91.05477	64.4
91.06018	4.8
93.07041	56.4
93.59703	2.8
95.04972	10.5
95.08604	41.9
96.08941	2.8
97.06522	10.8
97.10153	6.0
98.21397	3.4
98.98502	2.5
99.08094	10.4
105.07037	60.8
107.04972	3.4
107.08575	38.0
109.06509	9.0
109.10165	13.8
111.08105	5.0
117.07005	13.2
119.08582	61.8
121.10153	32.5
123.08080	5.3
123.11714	22.1
125.09652	2.9
127.07609	2.9
129.07016	11.1
131.08571	23.8
133.10124	30.7
135.11700	18.1
137.09631	3.6
137.13196	3.7
143.08549	6.2
145.10097	17.7
147.08096	4.1
147.11693	85.7
149.09663	3.5
149.13275	10.8
150.23291	2.4
151.11182	5.2
152.50520	2.4
157.10144	7.7
159.11670	12.5
161.13255	20.8
163.14899	3.6
165.12737	32.0
169.10208	5.7
171.11687	7.6
173.13332	11.6
175.11195	5.8
175.14752	10.5
179.14331	13.8
183.13699	4.9
185.13287	10.6
189.12788	2.9
193.12291	5.9
199.14828	6.9
201.16211	2.6
229.14355	6.9
229.19435	2.3
231.21127	6.8
241.19508	25.1
255.63113	2.3
259.20566	47.5
267.15897	31.1
269.89896	2.2
275.20020	3.6
277.21628	18.9
285.16974	45.8
293.20969	3.9
315.23120	3.7
333.24274	37.3
351.25241	9.7
433.30695	3.6
451.32098	3.6
469.32965	4.4
525.35675	5.3
543.36664	22.7
561.38043	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	561.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82373	2.3
53.03938	6.6
55.01871	15.5
55.05260	3.9
55.05506	45.8
57.03432	13.3
57.07053	4.6
65.03915	7.2
67.05502	100.0
69.03406	6.9
69.07069	33.5
69.88089	14.7
71.04981	7.7
71.08626	3.5
74.70362	2.1
78.31330	2.2
79.05489	66.3
80.02598	2.1
81.03418	38.7
81.06586	5.2
81.07053	85.8
83.04995	18.3
83.08617	32.7
85.02883	10.1
85.06535	5.7
91.05478	79.2
93.07037	73.9
95.04967	30.5
95.08612	52.9
97.02885	3.2
97.06555	17.0
97.10177	12.6
99.08076	5.6
105.07030	70.1
107.04974	13.0
107.08597	39.6
109.06509	7.3
109.10158	26.6
111.08056	10.1
115.05460	5.3
117.07021	30.0
119.07797	4.4
119.08580	60.4
121.06527	5.3
121.10136	27.6
123.08046	3.4
123.11703	5.0
123.43650	2.2
125.09631	11.8
128.06213	5.8
129.07002	24.2
130.07800	3.3
131.08572	43.3
133.06485	6.6
133.10124	39.9
135.08066	7.8
135.11684	22.0
137.09595	5.9
141.06964	6.9
142.07784	3.3
143.08553	19.4
145.10124	31.3
147.08041	5.9
147.11693	32.8
149.09619	12.2
149.13235	10.8
151.11206	5.5
154.07823	2.7
155.07413	2.8
155.08559	10.4
157.10112	25.8
159.08096	2.5
159.11699	22.3
161.09532	4.2
161.13255	19.7
163.11165	8.5
165.12724	4.0
167.08519	4.9
169.10101	10.8
171.11650	19.2
173.09602	2.7
173.11853	4.5
173.13266	16.8
175.11163	11.1
175.14772	11.9
177.12639	3.1
179.08557	2.5
179.14273	2.6
181.10114	5.0
181.12242	4.5
183.11668	8.7
185.13284	15.0
187.14764	6.8
189.11252	6.4
189.12793	3.0
193.12215	26.0
195.11696	5.8
197.13287	5.2
199.14784	8.3
201.12843	2.8
207.11693	3.4
209.13222	5.0
211.13268	34.5
211.14990	3.7
213.16470	3.1
214.55475	2.5
223.14815	4.1
227.12683	12.2
229.14276	5.3
231.21198	2.6
241.19576	16.6
257.18896	4.6
259.20532	30.1
267.15976	10.8
269.17331	4.3
273.18204	3.2
275.20193	14.1
277.21622	7.1
285.16901	17.6
297.22095	5.8
299.23615	3.7
301.21594	3.2
313.20987	2.8
315.23257	14.3
317.24884	3.5
333.24295	19.7
339.23026	3.0
349.23697	3.1
351.25336	3.1
353.11295	3.1
389.26938	4.5
415.30157	2.6
423.32471	5.0
433.30936	11.8
451.31967	12.3
463.30508	2.7
469.33038	6.9
487.33838	4.1
499.34491	2.7
507.34103	3.0
525.35895	18.1
543.36847	64.3
561.37878	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	3.1
50.52736	3.2
53.03947	7.6
54.91641	3.3
55.01866	10.0
55.05268	4.0
55.05511	42.8
57.03428	15.5
59.05007	3.8
65.03923	6.0
67.05504	100.0
69.03432	5.3
69.07070	33.0
70.65157	8.2
70.65528	7.2
71.04990	10.3
71.08623	3.6
71.41592	3.0
79.05492	75.3
81.03416	42.2
81.07059	97.5
82.55322	3.0
83.04984	19.9
83.08627	26.7
85.02884	12.5
85.06532	7.8
85.25453	3.2
90.62424	3.1
91.04901	4.3
91.05479	85.4
93.07037	71.4
93.07619	3.4
95.04993	27.2
95.08601	52.3
97.06525	14.6
97.10182	17.5
99.08083	7.1
103.35548	3.6
105.07027	72.0
107.04930	13.2
107.08595	44.9
109.06514	9.3
109.10164	36.6
111.04450	6.6
111.08085	13.4
111.11685	3.6
115.05460	5.8
117.07018	29.8
119.08584	55.2
121.10152	28.5
123.04458	2.9
123.11718	4.1
125.09611	11.6
128.06203	7.1
129.06990	23.6
131.08568	46.1
133.06464	4.2
133.10127	41.5
135.08087	8.0
135.11682	20.7
137.09523	3.2
141.07010	6.9
142.07736	4.8
143.08554	22.1
145.10121	33.8
147.08046	8.1
147.11674	33.2
149.09605	9.8
149.13240	12.4
151.11145	8.1
155.08531	11.6
157.10139	28.3
159.11676	24.9
161.13271	19.7
163.11180	10.1
165.12778	7.2
167.08546	5.3
169.10152	12.2
171.11713	14.3
173.11771	6.4
173.13243	15.3
175.11136	8.7
175.14751	6.4
177.12711	4.6
179.14281	4.4
181.10114	10.2
183.11664	8.2
185.11821	3.6
185.13206	18.0
187.14748	8.7
189.11287	7.9
189.12776	5.5
193.12254	32.2
195.11807	7.0
195.13614	5.0
196.80132	4.1
197.13277	9.1
199.14825	7.7
201.16373	4.5
209.13217	4.7
211.13251	35.7
221.15428	4.4
227.12793	12.6
229.14429	9.4
231.21033	5.6
241.19540	15.3
257.18784	3.6
259.20596	26.0
267.15817	10.2
268.63354	3.6
275.20105	13.2
277.21622	10.4
285.16840	18.7
297.22098	4.0
299.23700	3.8
301.21725	3.6
315.23218	11.5
333.24332	21.3
349.23849	3.6
351.25247	4.9
433.30942	9.7
451.31848	16.6
463.30612	5.3
469.32892	12.2
476.34787	4.1
487.33664	7.1
525.35675	25.1
543.29437	5.0
543.36914	67.1
561.37823	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	561.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	0.4
68.40204	0.4
69.03416	0.4
70.06582	0.5
70.75573	0.8
70.75938	0.8
81.07044	0.4
93.07023	0.4
107.08584	0.5
109.10109	0.3
118.73479	0.3
121.06541	1.3
122.06824	0.5
123.04395	0.5
123.48792	0.4
124.84397	0.4
128.07144	0.4
129.06989	0.4
138.09123	0.4
147.04466	0.8
201.09134	0.5
202.09422	0.5
203.05272	7.4
225.14616	4.2
237.38789	0.3
255.15622	3.2
267.06522	0.5
329.15683	5.7
343.17188	0.8
359.16818	3.4
375.32690	0.4
381.26074	8.3
399.27420	0.8
561.32446	100.0
562.32904	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	6.6
57.03432	2.6
61.02904	1.8
65.14695	1.6
65.99095	1.7
69.03407	3.7
69.61593	10.0
77.03923	1.9
79.01841	1.6
79.05482	2.1
80.27489	1.7
81.03418	8.3
85.02896	15.4
91.05480	6.3
93.03387	5.0
95.01315	2.9
95.04961	5.3
97.02892	16.0
98.21533	1.6
98.41865	1.8
103.03931	4.4
103.05456	3.2
105.03378	2.2
105.07018	5.3
107.04957	36.2
107.05694	1.9
109.02869	16.2
110.03628	2.1
111.04416	3.2
115.05491	3.4
117.07030	5.8
119.04926	11.0
121.02865	35.6
121.06516	10.0
123.04436	21.8
127.03908	4.6
128.06209	2.4
129.06985	2.8
131.04950	8.9
133.02841	3.0
133.06479	11.3
135.04419	27.5
137.05919	2.0
139.03851	4.2
141.01814	1.9
143.04889	2.3
145.06522	10.8
147.04408	34.4
147.08040	3.7
149.02301	5.6
149.05971	4.6
151.03868	5.6
153.01805	4.5
157.06438	3.5
159.04425	14.1
159.57144	1.6
161.02310	4.3
161.05960	13.5
163.03909	7.2
165.01839	9.8
169.06503	2.3
171.04443	3.9
173.05998	18.2
175.03931	9.4
175.07573	4.2
177.01839	15.0
177.05431	9.6
179.03294	2.3
181.04964	3.4
183.02927	9.7
183.04297	2.7
185.05977	5.9
187.03911	13.3
187.07455	3.7
189.01843	21.0
189.05432	7.1
191.03426	12.3
193.05022	1.9
195.02896	45.8
197.05963	4.1
199.03891	4.7
201.01756	4.9
201.05466	29.3
203.03397	21.4
203.06989	5.2
205.01497	2.3
205.04944	4.0
207.02910	24.8
209.04463	2.7
213.05453	4.5
215.03383	23.4
215.06917	4.2
217.01396	3.0
217.04932	10.1
219.02885	31.3
221.00963	8.6
221.04413	12.9
223.02356	7.7
224.24365	1.8
225.05498	4.6
227.03357	10.4
229.01472	2.6
229.04953	41.2
231.02870	71.7
231.06512	4.7
233.04489	8.6
237.03798	2.2
241.04970	5.5
243.02913	54.7
243.06448	12.1
245.04475	12.4
247.02321	4.3
247.06023	3.1
249.03909	42.1
253.04982	7.1
255.02884	15.4
257.04449	36.7
259.02341	6.4
259.06061	3.7
261.03949	35.8
267.02802	5.0
269.04373	16.6
271.02762	3.1
271.05997	21.4
273.00940	2.5
273.03915	45.2
275.05408	3.7
277.03494	2.4
279.05038	3.2
281.04483	7.0
283.02271	2.3
283.06039	4.0
285.03925	100.0
285.07034	3.6
287.05402	6.1
289.03333	3.5
291.04965	26.9
295.05872	3.6
297.03900	24.9
297.07504	23.9
299.05463	23.5
301.03268	3.5
301.06650	2.0
303.05008	5.2
309.03494	11.4
309.07248	7.9
311.05505	5.4
313.07077	4.0
315.05038	18.7
321.07129	3.4
323.05423	6.7
325.05649	2.6
327.04974	74.5
339.04999	12.7
339.08673	3.2
345.06076	23.1
351.04947	2.9
351.08658	28.7
357.06055	22.7
363.07086	76.1
369.05978	12.6
375.07208	12.4
381.09756	18.7
387.07108	21.0
393.08667	27.5
405.08301	60.8
409.08899	2.7
411.10757	16.9
417.09607	12.9
423.09229	29.0
427.10245	8.1
429.11865	61.2
435.10559	2.4
441.10342	40.8
447.10745	35.1
459.10574	10.8
465.11768	16.5
471.10635	2.2
477.11786	15.5
483.12848	26.3
489.11844	4.1
495.12930	28.1
507.12790	14.7
525.13892	18.7
543.14984	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	561.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99792	0.4
69.82008	2.3
69.90341	0.4
72.85416	0.3
75.21812	0.3
85.85684	0.3
98.21455	0.5
155.04901	0.5
167.04922	1.8
170.03537	0.5
184.05157	0.6
195.04414	0.9
199.07562	0.8
212.04689	2.1
225.05525	0.4
227.06989	0.9
240.04190	5.7
253.04999	1.2
255.06505	6.5
257.08060	1.4
268.03662	5.5
270.05084	1.6
283.05991	7.6
285.07645	0.4
298.04700	4.8
313.07050	100.0
314.07343	2.1
347.09503	0.4
481.95758	0.4
485.97263	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.0
55.66389	0.7
56.91194	0.7
62.59980	0.7
63.48852	0.6
67.05473	0.7
69.03424	1.7
69.58024	6.1
81.03441	0.9
81.07064	1.4
85.02893	1.0
91.05493	3.9
93.07068	0.8
95.08620	1.3
97.02896	1.0
97.03902	0.6
98.22356	0.7
107.04980	1.0
112.87189	0.9
121.06536	1.1
123.04463	3.3
127.03914	1.0
137.05954	1.5
139.03972	1.7
141.67331	0.7
147.04440	1.6
153.01851	1.2
161.05936	1.0
163.03856	0.8
187.07791	0.8
201.09123	0.8
202.09464	0.9
209.09676	1.0
218.27466	0.7
219.31798	0.7
249.05261	4.3
267.06482	3.6
313.10565	1.3
317.08420	18.1
321.05908	3.1
335.09503	7.0
399.10654	1.2
415.23083	0.8
453.10028	5.3
509.59412	0.8
517.16833	3.0
561.15771	100.0
561.31592	18.2
562.15991	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01846	0.7
69.60142	4.3
73.06538	0.7
81.03428	1.0
81.07053	1.0
85.02869	0.7
91.05474	3.5
93.07049	5.0
95.04960	1.2
103.05468	3.2
115.05430	1.2
117.06996	1.7
121.06504	77.2
122.06835	0.8
128.06236	0.8
129.07021	3.2
133.06509	1.0
138.09134	19.6
139.03862	1.1
140.04350	0.7
141.07019	1.0
142.07800	0.9
143.08543	1.7
145.06526	1.2
145.10133	0.9
152.06197	1.0
153.01797	1.9
153.06979	2.4
155.08548	5.0
157.06512	1.1
157.10179	3.5
159.08026	1.4
161.05983	3.6
165.07013	1.8
166.07748	1.9
167.08557	6.8
169.06476	2.1
169.10051	0.9
170.07295	0.7
171.07986	1.4
173.05983	9.1
173.09567	1.5
174.06776	1.3
179.08553	1.2
181.06531	3.0
181.10101	9.6
182.07303	1.7
183.08073	5.9
183.11673	2.2
185.05968	1.4
185.09619	7.6
186.06633	0.9
187.07549	6.0
188.08243	3.8
194.07263	7.8
195.08083	3.5
195.09857	0.5
195.11668	3.5
196.08815	1.1
197.09570	2.0
198.06714	0.7
199.07480	1.2
199.11049	1.1
200.08253	1.1
201.09103	100.0
203.10669	52.0
209.09608	36.1
210.10060	1.1
211.11179	8.9
212.08380	0.7
223.11163	14.2
225.09114	19.1
225.12521	4.0
227.10667	42.2
229.08627	1.8
229.12239	15.9
241.12254	2.4
243.13786	1.5
251.10777	4.4
252.01216	0.7
253.12154	1.7
269.11719	41.5
271.13257	10.6
287.12769	20.4
289.14340	12.8
364.06717	0.7
373.12823	1.4
381.15338	1.1
391.13773	1.3
393.15341	4.6
408.57874	0.7
411.35760	0.9
434.33600	0.6
560.31372	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	560.364
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68016	1.1
53.45074	1.0
55.05513	3.8
57.03430	3.8
57.07056	1.5
59.04992	2.6
67.05510	3.9
69.03468	1.3
71.58456	2.5
73.02927	1.9
73.06557	9.2
85.02904	2.0
85.06541	31.1
87.04470	60.0
89.06031	100.0
97.02898	1.1
98.97586	1.8
99.04479	1.7
107.07066	4.4
109.02847	2.0
116.98634	2.4
117.05505	7.8
117.09133	7.5
127.03944	1.8
129.09122	32.7
130.08646	2.8
131.07008	4.0
133.08601	59.1
134.99695	2.5
137.05984	2.1
139.03868	1.2
162.03148	5.4
167.07123	1.5
173.11748	13.1
175.09608	1.3
177.11212	15.2
187.07565	1.7
212.04813	2.0
217.01942	1.1
221.13826	2.6
237.02824	1.1
268.03635	1.6
281.04437	1.8
298.04739	6.5
310.11575	1.8
313.07001	25.9
341.13730	3.0
342.14178	6.7
348.13037	1.4
361.30981	1.2
397.06250	1.5
398.06226	4.0
433.72931	1.2
543.33734	2.6
560.29047	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
70.06596	1.8
71.32555	1.8
86.09719	2.5
91.05482	2.6
93.07048	3.0
99.04475	1.2
103.05453	2.9
117.07016	2.8
121.06504	58.7
129.07040	5.3
138.09140	17.1
141.07014	1.3
142.07813	1.6
145.06557	2.3
149.05980	1.3
152.06218	1.7
153.07021	2.0
155.08548	5.7
157.06493	2.3
157.10133	3.1
161.05981	5.1
165.06999	1.8
166.07808	3.4
167.08583	7.1
169.06554	1.8
169.10100	1.6
173.06004	8.9
173.09584	1.6
174.06769	2.0
175.07538	1.9
181.06549	3.8
181.10141	11.3
182.07343	1.4
183.08125	4.6
183.11801	2.1
185.09602	8.8
187.07588	5.1
188.08284	3.7
189.09100	1.4
194.07260	9.5
195.08060	3.8
195.11769	3.5
197.09662	2.2
198.06799	1.6
200.08401	1.3
201.09106	100.0
203.10677	48.8
209.09618	38.3
211.11200	10.2
223.11179	15.3
225.09113	20.9
225.12685	3.6
227.10661	44.4
229.08655	1.6
229.12239	15.1
241.12320	2.2
243.13811	1.9
251.10686	6.1
253.12265	1.3
269.11728	41.0
271.13239	10.0
282.51144	1.3
287.12750	21.0
289.14380	11.2
361.02390	3.4
393.15543	2.5
439.01675	1.3
442.99402	1.4
560.31244	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	560.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86744	1.4
53.03949	11.4
55.01872	9.5
57.03430	5.1
61.02913	5.3
68.99789	5.2
69.03082	2.6
69.03428	36.4
69.07073	2.3
71.04980	4.4
71.57493	2.6
72.08146	4.3
73.02917	10.3
81.03417	30.6
83.04978	1.9
85.02904	98.0
86.09701	5.7
87.00829	42.1
90.62828	1.3
91.03963	3.5
97.02890	44.6
97.06523	2.6
99.04441	16.0
105.01865	62.8
109.02880	48.7
109.06496	2.3
109.10166	2.9
110.07276	2.0
117.01839	4.3
117.07018	2.0
117.19072	1.3
121.10112	3.0
123.04447	3.6
123.08066	1.9
124.08865	3.2
127.03916	100.0
129.01831	3.6
137.09612	16.3
139.03896	2.5
141.01799	11.1
143.08537	1.6
143.11789	1.8
145.04955	38.2
145.10109	1.6
147.02882	4.5
153.01837	4.1
153.05460	1.8
155.03419	3.6
159.02885	22.7
163.03923	4.1
181.04988	6.3
185.09497	1.4
189.03961	3.2
189.09012	2.1
210.99350	1.4
213.03970	8.4
213.09155	2.2
213.54118	1.5
219.06512	7.0
231.05003	35.2
231.10159	3.1
232.85547	1.5
235.06104	2.8
249.06079	5.8
257.19720	1.4
259.05960	1.8
259.09714	5.0
261.11151	2.7
277.10709	57.9
291.83463	1.6
314.16873	1.5
566.87305	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	11.0
55.01862	6.1
55.05514	29.9
57.03428	12.0
57.07064	5.4
65.03921	5.5
67.05505	95.2
69.07079	28.1
71.05003	5.6
79.05490	98.9
81.03399	14.3
81.07058	98.8
83.04969	18.0
83.08617	12.6
91.05485	73.2
93.07042	100.0
95.04956	26.5
95.08601	64.4
97.06540	9.1
97.10168	7.0
101.36066	3.6
105.04456	3.7
105.07031	57.0
107.04954	7.8
107.08596	39.4
107.15833	3.7
109.06500	6.4
109.10148	23.2
111.08044	4.0
113.74414	4.8
115.05462	3.6
117.07030	20.4
119.08553	37.6
121.06468	4.8
121.10140	20.5
123.08105	6.6
123.11674	7.2
129.06987	20.3
131.08545	23.4
133.10118	16.4
135.11679	15.6
136.39165	3.4
141.06946	4.1
143.08557	15.3
145.10091	21.8
147.11696	39.9
149.13231	9.8
157.10129	7.9
159.11745	9.4
161.09595	5.9
161.13239	17.4
163.14807	5.1
171.11694	30.1
172.12939	3.6
173.13254	5.7
183.11813	5.7
185.13315	5.4
187.11150	4.5
189.12733	12.3
207.13777	23.1
229.70335	4.1
261.22131	15.0
264.49341	4.0
279.15924	7.5
281.17459	49.3
306.59109	3.9
335.25839	41.0
449.34006	7.2
485.35522	5.3
527.37213	5.0
541.38995	56.5
559.40240	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	559.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.2
53.28210	3.9
55.01865	4.2
55.05309	3.1
55.05511	29.9
57.03424	13.0
65.03932	6.0
67.05176	5.3
67.05508	100.0
69.07066	29.1
71.04990	7.2
71.32335	4.9
71.32660	6.0
79.05493	99.7
81.03410	15.2
81.07059	93.3
83.04973	17.0
83.08614	15.7
85.06519	4.7
90.49097	3.6
91.05482	73.4
91.60009	4.0
93.07046	90.7
95.04974	27.5
95.08601	66.2
97.06539	9.9
97.10183	8.4
105.07026	60.7
107.04935	6.3
107.08591	36.8
109.06534	5.5
109.10163	30.6
110.10853	3.7
116.37900	4.3
117.06214	3.3
117.07001	18.1
119.08590	39.6
121.06493	8.2
121.10153	28.0
123.08069	6.4
123.11710	8.9
128.06183	3.5
129.07005	16.1
130.07838	4.9
131.08566	20.6
133.10167	22.3
135.11685	17.1
143.08508	17.7
145.10109	20.0
147.11688	40.7
149.13264	8.2
157.10046	5.5
159.11705	10.1
161.09619	3.7
161.13257	13.4
169.10094	6.1
171.11642	29.5
173.13277	6.5
175.14732	4.5
179.14253	5.7
183.11601	5.9
185.13287	7.1
187.11194	3.8
189.12755	9.8
207.13786	17.2
211.14980	4.7
261.22098	12.1
275.19965	6.0
277.21780	4.0
279.16162	7.7
281.17459	37.9
306.90833	3.8
325.50705	3.9
335.25824	42.7
449.34061	4.1
467.35587	6.4
485.36179	4.1
535.94171	4.2
541.39069	44.9
559.39270	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	13.8
55.01840	4.2
55.05510	35.4
56.49839	3.3
57.03424	12.1
65.03957	5.2
67.05502	100.0
69.07064	22.9
69.32448	3.5
70.72553	8.5
71.04987	5.0
78.29312	3.6
79.05491	99.6
81.03413	8.9
81.07054	93.3
83.04967	18.1
83.08614	14.4
90.70553	3.7
91.05477	77.9
93.07041	92.6
95.04956	27.8
95.08603	61.9
97.06567	5.7
97.10152	7.2
105.04498	4.0
105.07027	55.3
107.04948	5.3
107.08581	33.8
109.06497	9.0
109.10165	22.8
111.08089	5.0
115.05468	3.2
117.07014	15.9
119.08573	34.2
121.06487	7.4
121.10133	27.6
123.08106	7.0
123.11726	7.4
126.15961	3.1
128.06233	5.7
129.07005	14.5
131.08572	24.3
133.10132	15.2
135.11665	13.6
135.80937	3.3
143.08580	9.7
145.10062	18.4
147.08070	4.9
147.11676	36.6
149.13237	7.1
157.10147	4.2
159.11694	6.2
161.09663	4.9
161.13263	13.2
169.10109	4.6
171.11674	23.9
173.13248	5.2
183.11720	5.1
185.13332	6.4
187.14783	4.5
189.12784	8.5
207.13795	17.9
261.22095	8.1
276.83862	3.4
279.15756	4.4
281.17471	30.4
315.77856	3.7
335.25803	36.7
370.72119	4.3
467.35321	5.7
541.38977	50.7
559.39417	15.2
570.37714	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	559.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	9.5
55.01871	23.3
55.05512	64.6
57.03433	18.4
57.07061	3.4
65.03948	8.3
67.05503	93.5
69.03433	9.4
69.07067	41.1
71.04990	11.3
79.05494	92.9
81.02930	4.1
81.03415	79.7
81.07056	94.1
83.04993	16.5
83.08613	46.7
85.02912	17.1
85.06536	5.1
91.05478	100.0
93.07040	62.5
95.04970	38.3
95.08614	49.9
97.06539	20.5
97.10173	28.3
99.04487	3.6
99.08093	4.3
105.07027	89.5
107.04951	18.6
107.08589	66.7
109.06525	15.2
109.10143	29.1
111.08056	7.7
113.45474	3.8
115.05538	5.5
117.07005	37.9
118.62370	3.9
119.08576	53.7
121.06508	9.6
121.10152	33.8
123.08070	8.5
123.11707	13.7
125.09634	23.0
128.06227	4.8
129.06999	28.9
130.07826	4.0
131.08571	49.9
132.91637	3.8
133.06479	7.9
133.10121	42.6
135.08067	10.9
135.11710	10.9
137.09641	6.9
141.06963	8.3
142.07799	8.1
143.08551	21.0
145.06482	6.1
145.10118	35.4
147.08049	9.9
147.11681	36.7
149.09641	24.9
149.13226	5.7
151.11229	4.3
155.08571	9.4
157.10156	26.9
159.08080	5.4
159.11725	21.4
161.09673	8.5
161.13293	8.8
163.11215	14.0
165.12784	4.7
169.10167	9.7
171.11687	17.4
173.09691	7.2
173.11772	4.9
173.13255	10.6
175.11179	19.6
175.14818	5.5
177.12718	4.7
179.14296	8.0
181.10016	4.2
183.11685	12.9
185.13235	11.3
187.11234	4.7
187.14783	4.8
189.11237	13.2
193.12250	35.1
197.13316	5.9
199.14832	4.2
201.12732	4.1
203.14458	5.1
211.13234	27.9
215.14548	4.1
227.12622	17.0
229.19588	3.5
239.17967	5.8
257.18903	18.6
267.15842	30.1
275.20050	74.4
291.19580	7.3
293.21204	6.5
297.22324	6.3
299.20129	11.2
313.21609	6.0
315.23126	9.6
317.21194	7.6
331.22626	4.4
341.47403	3.7
349.23828	11.6
373.23550	4.1
387.25089	3.4
397.23041	3.6
421.31097	4.6
431.29691	5.6
449.30521	11.6
467.31482	17.9
485.33002	5.8
523.34100	6.2
541.35199	52.5
559.36298	90.7
560.36780	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	559.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	13.3
55.01878	24.8
55.05512	48.5
57.03432	12.8
65.03918	4.3
67.05505	100.0
69.03416	5.8
69.07070	44.6
69.07420	5.8
70.12847	18.2
71.05003	6.6
79.05069	4.3
79.05495	79.7
81.03416	67.9
81.07056	96.6
83.04995	20.8
83.08614	33.8
85.02896	11.1
85.06528	7.0
91.05480	88.8
93.07049	66.8
95.01328	13.7
95.04972	33.8
95.08605	48.1
97.06535	47.4
97.10168	14.8
99.08137	5.6
103.05447	5.1
105.07030	91.3
106.71147	4.0
107.04969	37.6
107.08594	39.5
109.06505	8.1
109.10140	22.8
111.04459	3.4
111.08067	10.1
111.79274	3.5
111.95989	3.4
115.05451	4.1
117.07024	33.3
119.08587	63.7
121.06487	8.2
121.10158	23.9
123.08089	10.5
123.11694	7.4
125.09646	15.2
128.06229	6.7
129.07011	26.0
131.08563	44.5
133.06462	7.3
133.10138	44.2
135.08070	11.5
135.11691	13.8
137.09608	4.7
141.06972	7.5
143.08559	15.2
145.06560	6.3
145.10120	39.6
147.08044	6.8
147.11703	35.1
149.09615	14.2
149.13321	6.1
155.08517	5.1
157.10110	22.7
159.08031	5.1
159.11687	24.5
161.09584	6.1
161.13268	9.1
163.11191	12.3
165.09166	5.9
169.10121	9.8
171.11674	10.0
173.13255	9.7
175.11279	11.4
177.12741	7.0
179.14302	15.7
181.10135	4.6
183.11681	7.3
185.13268	8.0
187.11243	8.3
189.11201	6.7
193.12192	27.2
195.73804	4.4
197.13315	8.8
198.09381	3.4
201.12659	3.7
205.12228	4.4
211.13326	20.8
222.14389	3.8
223.13327	3.6
227.12794	9.1
247.20627	5.6
256.92426	4.0
257.19052	13.0
267.15915	31.0
275.20081	94.8
291.19360	6.3
293.21133	14.7
297.22110	4.3
313.21527	4.2
315.23221	4.3
325.21658	4.1
331.22577	4.3
349.23636	22.5
399.38873	3.9
431.29755	4.7
449.30624	7.0
467.31543	8.5
485.32813	4.6
541.35114	50.2
559.36322	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	559.1576
Annotation	Planifolin
Peak:m/z	Relative Intensity
53.08679	1.7
65.05745	1.4
66.59989	1.5
66.91764	1.6
68.99753	1.6
69.03424	3.1
71.33530	1.6
71.58482	3.5
84.75349	1.7
85.02890	4.5
86.09719	2.1
97.02875	3.3
102.05589	1.9
107.04923	2.3
109.02858	1.7
119.04948	1.6
123.04425	2.7
124.35746	1.8
131.04887	2.0
137.05934	10.0
147.04323	2.2
153.01880	2.5
179.00117	3.5
184.62221	1.6
197.01241	21.5
215.02263	5.9
237.02766	1.8
263.02448	2.9
264.03122	2.2
316.06104	3.1
348.18817	2.1
361.04184	2.3
377.23032	1.9
397.09842	3.0
400.08344	9.5
415.10544	16.3
418.09158	3.5
433.11603	2.7
438.12021	3.2
515.27686	2.3
559.16064	100.0
559.27277	4.4
560.16498	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	559.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	7.9
57.03435	6.4
59.19493	2.7
61.02927	4.6
68.99786	6.2
69.03428	22.7
70.71478	9.3
71.05000	3.3
72.08174	3.5
73.02925	4.8
77.70500	2.6
81.03422	25.3
85.02902	33.0
87.00838	15.5
91.05493	4.4
91.10978	3.3
94.04206	3.6
97.02897	15.7
99.04480	5.6
103.05491	5.6
105.01870	8.1
105.07031	7.3
109.02885	19.1
115.03931	5.7
117.01866	3.0
124.91555	3.2
127.03928	25.8
129.01869	3.5
129.07062	4.0
131.04941	6.7
133.06496	3.7
134.26019	2.6
137.05975	83.1
141.06998	9.8
145.05006	6.2
149.05971	7.8
151.03900	13.6
151.07547	7.9
155.04921	5.6
159.02916	8.0
161.05997	21.1
163.07588	4.5
166.46393	2.7
169.06505	11.7
174.06760	3.2
175.07556	28.7
185.06082	3.1
186.06837	4.4
187.07483	14.8
189.05469	8.6
189.07101	5.4
190.07799	5.3
191.07132	3.3
191.08635	20.0
199.07504	14.4
201.09071	5.4
203.08595	5.7
207.08034	6.4
213.09041	4.7
215.08661	6.5
218.07262	6.5
219.08047	30.7
220.08844	6.1
229.08615	16.9
231.08084	9.0
232.08803	3.4
233.09682	6.5
235.07510	6.1
236.08337	8.7
237.09279	3.3
243.08023	9.6
246.06671	5.8
247.07576	18.0
249.09131	7.0
251.10674	36.3
253.08363	4.2
255.08223	3.1
259.07581	6.2
260.08395	8.1
261.09152	11.7
264.07932	8.2
265.08545	5.0
271.07428	7.8
272.08371	6.6
275.10699	8.0
276.07928	5.3
277.08508	5.0
278.09427	3.7
279.10226	39.8
280.10849	4.9
281.07971	4.2
288.07825	6.5
289.08502	7.8
290.09378	2.9
291.10187	10.1
293.11798	3.4
295.09857	4.2
296.10446	10.1
297.11072	5.1
302.09534	3.1
303.10080	19.7
305.08206	4.7
305.11594	2.8
309.11258	10.2
311.12759	100.0
313.72916	2.7
320.43658	3.2
321.11295	16.7
323.12790	22.1
333.11200	8.8
335.12796	17.8
345.11154	3.2
347.13010	3.7
353.13815	29.2
359.12753	5.3
377.13916	5.2
401.13812	16.8
419.14999	9.0
437.15652	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	558.312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01873	1.4
55.05511	7.5
55.08659	0.8
57.03452	4.3
57.07076	12.9
59.05001	3.9
61.02928	5.9
67.05532	0.9
69.03435	11.1
69.07069	53.7
70.85223	1.3
71.04988	5.7
71.08636	9.9
73.06554	11.8
79.05470	1.0
81.03421	4.1
83.08624	1.7
85.02905	55.8
85.10189	4.5
88.06207	0.7
89.06033	34.2
91.03951	2.2
95.08588	1.1
95.94157	0.7
96.14584	0.9
97.02894	15.6
97.06506	1.6
99.04461	2.5
99.11739	1.1
105.06983	1.3
107.07058	1.0
109.02886	4.8
111.11720	83.6
121.06466	1.4
123.04420	0.9
127.03908	13.2
129.12758	100.0
139.03908	1.1
145.04958	15.4
163.06044	4.1
199.16940	19.2
217.18011	22.0
312.12372	0.7
558.28534	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.4564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.2
55.01865	1.9
55.05512	17.2
57.03436	2.7
57.07074	3.3
61.73496	1.1
63.59025	1.2
65.03925	1.9
67.05506	41.1
69.03409	1.9
69.07075	17.3
69.26722	14.7
70.24696	1.1
71.04970	2.2
71.08623	2.8
79.05489	20.0
81.03434	6.1
81.07060	41.8
83.04990	3.3
83.08613	11.3
85.06560	2.1
86.53299	1.2
91.04904	1.5
91.05479	23.5
93.07045	22.7
95.04961	5.1
95.08611	29.8
97.06518	3.3
97.10170	8.2
105.07028	27.1
107.04985	2.0
107.08610	11.5
109.06560	2.2
109.10155	10.4
111.08057	1.8
117.07036	11.7
119.08586	33.5
121.06510	1.8
121.10119	7.7
123.08044	1.7
123.11727	5.7
125.09619	3.4
128.06233	1.8
129.07040	6.3
131.08568	20.0
133.06544	1.8
133.10123	12.8
135.11697	5.4
135.47993	1.3
137.13242	1.7
141.06978	2.7
143.08524	6.1
145.10121	14.7
147.11711	7.9
149.09615	1.4
149.13322	3.6
151.14854	1.7
155.08621	3.0
157.10147	3.7
159.11722	4.7
161.09645	1.9
161.13287	8.7
164.17372	1.2
169.10190	4.1
171.11691	3.9
173.13318	4.5
175.14888	7.9
177.12823	1.5
183.11681	2.2
185.13350	3.1
187.14848	3.1
189.16415	2.2
197.13225	3.0
199.14825	2.4
201.16426	3.1
215.17885	1.6
221.15247	1.3
227.12779	1.5
231.21082	2.9
245.22849	2.1
257.19131	1.7
257.23080	1.5
259.24371	1.5
267.21155	1.8
275.20004	2.1
279.23264	3.8
291.19504	2.8
291.23181	1.8
303.23267	2.9
315.19339	1.4
317.24866	3.0
331.26318	2.2
355.30014	1.5
387.32422	1.4
415.35803	2.8
428.14029	1.5
437.34003	1.4
474.03369	1.3
483.31226	2.2
503.42456	1.8
521.43530	5.8
539.44690	5.4
557.35303	7.8
557.45667	100.0
558.46460	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	557.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	2.9
54.10466	2.9
55.05507	22.4
57.03424	4.7
57.07066	5.2
65.03923	4.3
67.05509	52.0
69.07068	20.0
69.89407	14.0
79.05495	44.6
81.03430	7.1
81.07053	43.4
83.04974	4.7
83.08614	14.6
91.05489	43.1
93.07050	50.7
95.04990	8.3
95.08617	33.7
97.06522	4.4
97.10149	8.4
98.21401	3.9
105.07027	34.9
107.04955	6.9
107.08581	27.6
109.06493	3.4
109.10159	12.8
112.81908	3.2
115.05429	4.4
117.04753	2.9
117.07010	16.3
119.08588	30.5
119.19186	3.5
121.06511	3.5
121.10130	14.8
123.08096	5.7
123.11750	4.8
125.09626	3.8
128.06242	6.7
129.07008	16.6
130.07858	3.6
131.08549	30.4
133.10104	22.8
135.11685	9.1
141.07007	10.4
142.07742	5.0
143.08546	27.3
145.10133	28.2
147.11694	16.7
149.09628	4.7
149.13272	4.1
155.08569	27.2
157.10117	22.5
159.11702	19.2
161.13289	10.6
167.08559	9.2
169.10081	23.6
171.11679	23.7
173.13298	15.8
179.08464	4.3
181.10149	11.0
182.10919	4.6
183.11700	17.5
185.13222	15.7
187.11249	5.8
187.14946	6.1
195.11699	11.7
197.13268	15.3
199.14816	8.6
207.11681	4.7
209.13269	10.4
211.14883	10.3
213.16376	10.6
223.14922	7.6
225.16444	5.2
235.14893	4.7
237.16331	4.5
239.18031	4.9
241.19521	5.4
255.36873	3.5
259.20587	7.3
279.16083	4.4
281.17413	6.9
325.25525	4.1
335.23727	4.2
353.24588	3.4
419.33148	4.4
429.31424	7.0
429.66943	3.4
437.34070	13.4
447.32584	25.5
465.33710	33.7
467.38159	4.0
483.34924	19.3
521.36188	10.3
529.38586	9.6
539.37329	100.0
540.37970	4.7
557.38422	60.8
557.52795	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	557.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	2.9
52.64534	2.2
53.03935	4.1
54.78231	2.0
55.01864	5.3
55.05513	24.0
57.03426	9.4
57.03669	1.7
57.07061	5.7
65.03938	2.0
67.05504	54.4
68.26692	1.9
69.07072	23.3
70.31950	2.4
70.32291	9.4
71.04962	3.3
71.08629	2.5
79.05059	3.6
79.05492	47.2
81.03413	4.0
81.07059	51.2
83.04967	5.6
83.08616	11.0
85.06549	5.1
87.24430	2.3
88.20482	1.9
91.05484	44.8
93.07040	45.7
95.04958	10.0
95.08608	32.3
97.06525	6.3
97.10156	7.8
98.25225	2.0
98.98437	6.2
99.08072	2.6
101.96110	2.3
105.07034	41.1
107.04945	8.6
107.08589	24.3
109.10142	12.7
111.08087	2.6
113.20377	2.0
115.05442	4.6
117.07026	23.1
119.08582	31.2
120.28476	1.8
121.06467	4.2
121.10147	12.6
123.08048	6.2
123.11713	3.7
125.09681	1.9
126.64097	2.1
128.06239	6.9
129.06987	25.8
130.07791	2.3
131.08563	35.2
133.10130	20.5
135.11679	10.3
140.94662	1.9
141.07022	12.0
142.07684	3.5
143.08569	29.1
145.06502	5.2
145.10115	32.3
147.08075	3.4
147.11708	20.2
149.09567	4.0
149.13232	5.6
151.11298	2.1
153.06976	2.8
154.07703	2.9
155.01042	6.5
155.08548	23.0
157.01472	2.6
157.10147	25.5
159.08022	4.7
159.11705	24.4
161.13240	12.0
165.06987	3.5
167.08601	10.7
169.10133	26.1
170.10730	2.1
171.11690	25.6
173.13283	12.5
175.14838	6.2
177.12823	2.9
179.08609	3.8
181.10129	15.8
182.10989	2.4
183.11687	21.4
185.13283	12.7
187.11134	2.9
187.14835	6.9
189.12782	2.9
192.83348	2.1
193.10138	6.1
194.10858	2.7
195.11697	15.1
197.13193	16.2
199.14809	9.8
201.16333	3.6
205.10184	3.7
207.11740	4.7
207.13783	3.7
209.13297	9.4
211.14879	11.6
213.16347	12.9
219.17496	2.4
221.13312	4.0
223.14790	5.5
225.16434	4.6
237.16446	4.0
239.17934	2.9
241.19524	6.4
247.16916	3.5
251.18037	2.6
257.19110	3.6
259.20520	16.3
269.56232	2.2
279.15927	5.8
281.17471	8.6
287.20102	2.6
299.20358	2.1
307.20560	3.7
313.21652	2.8
315.23190	3.7
315.27676	3.3
321.22137	3.2
333.24207	6.7
337.25204	3.0
339.23074	2.8
341.24780	2.4
349.25391	2.4
360.19675	2.7
367.26529	3.1
419.33096	5.5
429.31369	9.0
437.34335	14.9
447.32581	30.2
465.33780	32.7
483.34854	21.7
501.35263	4.5
503.35040	3.5
521.35938	8.2
529.38531	8.3
539.37323	100.0
540.38019	2.9
557.38464	56.7
557.52014	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	557.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.2
55.01889	2.2
55.05513	19.5
57.03437	8.6
57.07059	4.2
65.03932	3.3
67.05504	41.4
67.36713	2.1
69.07067	20.1
69.36271	12.3
69.36698	10.4
71.04998	2.5
79.05495	38.3
81.03410	4.2
81.07057	42.9
83.04982	4.5
83.08621	11.9
85.06551	3.2
91.05487	38.3
93.07047	42.5
95.04954	6.2
95.08610	32.3
97.06494	4.3
97.10150	6.1
97.29637	2.6
99.71439	2.1
104.95544	2.2
105.07027	36.3
107.04957	6.0
107.08592	20.1
109.06494	4.3
109.10162	9.7
111.08003	3.0
115.05445	3.0
116.06342	2.5
117.07018	14.5
119.08590	28.1
121.10109	13.2
123.08046	3.9
124.98792	2.3
128.06239	3.3
129.07021	21.7
131.08568	34.3
133.10118	20.9
135.08063	2.8
135.11711	7.8
141.06975	7.9
142.07767	6.1
143.08539	21.3
145.06506	2.6
145.10123	22.7
147.08086	4.8
147.11703	20.5
149.09602	3.6
149.13303	2.8
155.08525	20.1
157.10118	20.6
159.07993	2.3
159.11693	18.2
161.13260	10.2
163.11208	3.6
167.08553	6.9
169.10126	24.8
171.11699	25.9
173.09694	2.7
173.13261	13.9
175.14799	3.4
179.08615	3.0
181.10135	16.2
183.11685	21.5
185.13206	15.5
187.14754	5.5
189.12767	5.1
193.10181	3.8
195.11690	13.2
197.13234	12.6
199.14816	11.1
201.16426	3.1
207.11836	5.0
207.13855	4.9
209.13263	9.9
211.14871	11.2
211.16574	2.6
213.16403	8.7
221.13232	4.6
223.14857	6.7
233.13127	3.1
235.14868	3.0
237.16489	3.3
239.14287	2.6
239.17914	2.9
241.19548	4.3
247.17004	2.5
259.20490	11.9
275.20044	4.1
279.15952	3.7
281.17398	5.7
295.20761	3.3
315.23340	3.2
321.22052	2.6
323.23859	3.5
333.24176	4.7
335.23486	3.3
339.23230	3.1
419.32968	4.3
429.31610	7.1
435.32489	2.9
437.34244	11.5
447.32724	25.5
465.33704	29.6
483.34793	20.9
485.33975	3.2
511.38052	3.5
521.35913	10.9
524.92767	2.7
529.38824	6.7
539.37366	100.0
557.38397	46.4
558.39484	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	557.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.1
55.01862	4.5
55.05513	25.5
57.03433	7.7
57.07087	4.9
64.81081	1.9
65.03935	2.0
65.70135	1.8
67.05167	4.0
67.05503	49.6
69.03454	3.3
69.07065	23.3
69.37657	3.9
69.38055	16.5
71.04996	5.2
79.05492	40.4
81.03423	3.8
81.07062	49.0
83.04999	2.6
83.08624	11.2
85.06520	5.5
88.15453	1.9
91.05481	36.7
93.07040	43.5
95.04947	10.4
95.08611	35.5
97.06528	5.0
97.10184	4.8
98.21542	3.6
105.07035	42.1
107.04935	5.2
107.08586	18.6
109.06528	4.4
109.10172	16.0
111.87731	2.0
117.07004	18.6
119.08575	35.8
121.06499	3.6
121.10144	14.0
123.08025	4.1
125.09649	3.1
128.06226	6.9
129.07016	20.9
131.08574	34.3
133.10129	19.9
135.11681	8.2
141.07002	8.9
142.07780	4.6
143.08565	31.1
143.81575	2.1
145.06473	2.6
145.10124	30.7
147.08044	3.5
147.11684	18.9
149.09613	2.4
149.13271	3.7
155.08549	22.8
156.09389	4.0
157.10126	23.0
158.91608	2.0
159.08061	3.0
159.11684	20.0
161.13275	11.6
167.08580	8.4
169.10106	25.8
171.11688	23.0
173.13266	14.9
175.14862	5.2
179.08551	4.9
180.09312	2.3
181.10123	15.6
182.10905	3.8
183.11684	27.3
185.09653	2.2
185.13292	19.5
187.11243	4.3
187.14835	5.5
189.12819	3.9
193.10139	3.9
195.11717	14.7
197.13254	15.0
199.14838	11.7
201.16405	3.3
207.11787	3.4
207.13748	3.5
209.13281	12.6
211.14844	10.9
213.12851	2.3
213.16435	9.5
214.40918	2.3
215.14366	2.8
221.13272	6.1
223.14879	6.9
225.16512	3.9
231.17485	2.7
235.14821	3.0
237.16444	6.9
239.18007	3.5
241.19589	6.4
259.20639	9.9
279.15796	5.3
281.17566	6.0
297.22040	3.9
301.21655	2.9
313.21716	2.9
323.23740	6.5
333.24728	2.7
335.23529	4.0
337.25381	2.6
343.33707	2.1
353.24588	4.7
366.51553	2.4
367.26428	3.0
390.89578	2.1
419.32864	5.6
429.31345	7.8
437.34149	13.8
447.32538	30.7
465.33713	40.9
483.34595	18.4
495.34473	2.6
521.36346	11.9
529.38550	10.2
539.37329	100.0
557.38379	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00274	2.3
50.46910	2.2
53.03939	7.1
55.01874	14.0
55.05513	41.1
57.03432	13.4
57.07074	4.7
59.04993	3.2
65.03938	3.5
66.21544	2.4
67.05503	86.9
69.03423	4.9
69.07068	28.8
71.04997	22.8
71.58978	4.2
71.59351	2.2
74.80279	2.7
76.82897	2.7
79.05488	71.5
79.97471	2.2
81.03419	28.7
81.07055	70.5
83.04990	13.0
83.08614	27.5
85.06548	9.7
88.78911	2.5
91.05476	74.0
93.07043	56.5
95.04961	27.7
95.08603	48.9
97.06512	13.4
97.10179	11.8
99.04497	3.3
99.08060	6.9
103.05445	3.6
105.07025	56.3
107.04948	14.7
107.08595	39.8
109.06511	15.6
109.10146	27.0
111.08084	7.0
113.06011	3.1
113.35579	2.4
113.48549	2.3
115.05442	5.0
117.04661	2.6
117.07021	32.7
119.08569	37.7
121.06495	11.2
121.10112	18.0
123.08078	8.9
123.11690	2.7
125.09636	11.0
128.06229	10.8
129.07018	29.9
130.07744	4.0
131.08560	36.5
133.06473	7.4
133.10130	36.8
135.08044	19.1
135.11673	12.7
137.09601	6.9
141.06987	11.7
142.07744	7.6
143.08554	35.1
145.06487	7.1
145.10112	40.1
147.08044	8.3
147.11664	14.5
149.05963	2.9
149.09598	14.8
149.13214	2.6
151.11201	7.2
153.06984	2.7
154.07756	3.5
155.08553	22.2
157.10110	25.6
159.08066	15.0
159.11642	17.4
161.09610	14.9
161.13257	5.5
163.11201	10.5
165.07034	3.8
167.08517	9.7
168.09364	4.3
169.10112	26.3
171.08104	5.3
171.11707	22.0
173.09608	17.9
173.13280	8.9
175.11157	16.6
175.14755	2.9
177.12740	5.2
179.08603	4.9
179.14322	3.5
180.09369	4.8
181.10109	10.0
183.08105	3.2
183.11732	20.0
185.09656	6.6
185.13287	11.4
187.11214	15.1
187.14799	2.8
189.12709	5.6
193.12241	6.3
195.11705	11.5
197.09625	4.7
197.13271	10.2
199.11200	8.6
199.13071	2.8
199.14865	5.2
201.12747	9.7
205.10214	3.3
205.12222	3.6
207.11765	5.2
209.13275	11.9
211.11049	2.8
211.14815	7.0
213.12776	5.6
213.16383	3.3
215.14319	5.4
219.11818	4.5
221.13275	5.9
223.14949	5.8
225.12755	4.3
227.12668	6.0
229.15993	5.4
233.13239	3.8
235.14798	3.2
241.16035	3.2
253.14401	7.7
255.17487	3.2
257.19040	4.6
269.18939	2.7
271.16962	3.4
273.18536	17.1
275.20175	10.8
287.20050	8.5
289.18027	3.2
291.19458	15.9
297.21982	3.4
299.19846	2.6
313.21591	4.2
321.22107	3.4
335.23898	4.2
339.23230	4.0
341.24918	4.0
366.60260	2.8
367.26749	2.9
371.25739	4.2
415.29996	4.2
433.31003	22.9
451.32178	11.8
465.28778	3.3
465.33990	8.6
469.33078	5.0
483.35507	13.3
489.33682	5.1
507.34814	10.1
525.35773	41.8
539.35693	11.0
557.38770	100.0
558.38477	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50119	0.4
51.02386	0.7
52.44995	0.4
53.03926	1.4
53.58178	0.4
55.01869	0.6
57.03409	0.4
65.03899	0.4
69.03426	2.8
69.71898	1.0
69.72298	2.5
73.02897	0.6
79.01852	4.0
81.02988	0.6
81.03420	8.1
85.02899	3.7
91.05475	1.9
95.03061	0.4
95.04868	0.4
97.02891	7.2
99.04439	1.0
103.03951	0.6
105.07038	0.6
107.01328	1.8
107.04947	2.1
109.02867	4.9
117.03394	0.5
117.50169	0.4
119.04955	1.3
121.06501	1.8
125.02347	3.7
127.03919	7.5
129.26875	0.5
131.68425	0.5
133.06485	1.0
137.05977	1.9
139.03882	0.5
143.03401	6.9
144.04640	0.5
145.02849	1.4
145.04933	0.9
149.05995	1.5
151.03935	1.0
153.01826	100.0
154.02197	0.9
161.05847	0.5
165.06964	0.7
171.02881	10.7
171.04239	0.4
177.05495	3.3
183.08057	0.5
189.93159	0.4
211.07620	0.6
224.08359	0.5
242.09398	1.0
243.10123	8.8
253.08571	1.2
255.04996	0.5
255.10156	1.1
267.10233	1.5
279.10141	0.6
285.06067	0.8
285.11258	1.4
291.55200	0.4
297.06006	8.1
305.11899	0.6
309.11240	0.9
315.06970	2.7
333.11179	1.4
351.12048	0.6
399.94800	0.4
557.28705	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33448	1.6
53.03930	6.4
55.01871	10.7
55.05265	2.6
55.05511	33.3
57.03429	6.3
57.72112	2.0
65.03929	1.7
67.05504	46.6
69.03417	7.9
69.07065	25.7
69.71043	8.6
69.71449	4.3
71.04990	4.8
77.94703	1.7
79.05486	44.5
79.05905	3.6
81.03421	56.7
81.07061	37.6
83.04956	6.4
83.08622	22.7
83.80475	1.8
85.06547	2.1
91.05480	43.2
93.07040	35.1
95.04970	30.4
95.08596	25.3
97.02890	9.4
97.06526	9.4
97.10161	17.8
99.04482	1.6
103.05519	1.9
105.07033	32.0
107.04959	15.2
107.08588	19.6
109.06493	9.2
109.10160	15.0
111.08072	5.1
113.06029	1.9
115.05447	1.9
117.06997	13.7
119.04971	1.9
119.08568	20.6
121.06519	9.5
121.10136	11.1
123.08073	4.6
123.11710	2.5
125.09634	12.2
128.06268	2.7
129.06989	10.7
131.08562	21.1
133.06499	6.9
133.10104	12.5
135.08083	8.5
135.11713	6.2
137.09654	4.8
141.06982	2.7
142.07777	3.4
143.08582	10.2
145.06512	7.4
145.10115	14.1
147.07983	9.1
147.11699	8.1
149.09624	6.5
149.13190	2.3
151.11188	3.1
153.09143	2.5
155.08589	5.7
157.10094	9.3
159.08034	5.2
159.11740	6.2
161.09596	5.6
161.13341	2.1
163.11157	4.7
167.08548	2.4
169.10107	4.0
171.08064	2.4
171.11668	5.0
173.09669	3.6
173.11823	2.2
173.13210	3.2
175.11192	6.2
181.10138	2.7
183.11708	4.0
185.09613	2.3
185.13220	3.3
187.11237	3.3
189.09171	2.4
189.11212	8.7
193.10539	1.6
193.12210	11.4
195.11652	2.5
201.12793	3.3
205.12097	2.3
213.12904	2.5
219.13867	9.3
223.13199	12.4
227.12714	11.8
245.19095	2.3
249.14763	3.0
253.14291	3.3
263.19968	2.3
273.18433	10.2
275.20123	5.9
291.19528	54.3
295.20844	2.4
297.18546	2.5
313.21591	11.8
315.19547	2.6
347.22336	2.4
389.23016	2.0
445.26022	4.3
447.28976	4.3
465.30115	7.5
479.32254	2.0
483.31021	8.1
539.33441	16.3
557.34760	100.0
558.34802	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	557.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	22.9
58.27806	2.2
62.08864	2.6
69.03436	5.1
69.47891	21.1
81.03429	4.1
82.99885	3.5
84.96052	4.8
85.02901	8.2
89.03948	5.6
94.84190	2.1
97.02898	6.7
98.20743	3.1
98.97579	20.1
100.07674	3.7
101.00861	13.9
109.01411	3.7
110.97597	3.2
113.00895	3.2
115.02417	3.3
116.98629	17.0
117.03336	5.3
119.01920	58.1
123.04475	3.4
127.02452	4.5
127.03934	4.9
128.98618	8.3
131.00172	3.4
131.01910	27.7
133.03529	5.7
134.99658	9.7
135.04341	3.7
137.02968	20.8
139.03923	5.7
143.01923	22.9
145.03522	51.0
146.99670	8.4
147.01392	3.0
147.04411	7.5
149.01158	3.9
149.02983	6.6
151.04578	2.8
153.01846	12.7
155.01875	16.2
157.03488	15.6
158.99683	6.5
159.05042	21.6
161.01300	9.2
161.02982	57.1
163.03961	20.9
164.04272	3.8
167.01984	7.1
169.03462	35.1
170.99834	2.3
171.04974	12.8
173.01514	2.2
173.02975	40.4
175.02702	2.0
175.04613	6.6
177.00726	8.6
177.05527	9.9
179.02039	3.4
181.03525	5.4
183.05080	2.7
184.04597	3.6
185.02953	49.1
185.06505	3.9
187.04520	89.9
189.00822	4.3
189.02455	13.4
189.06065	4.2
191.02098	3.1
191.03934	3.6
193.00179	3.0
193.03638	3.1
195.01775	3.1
197.02991	16.5
199.04503	14.8
201.00740	7.3
201.06076	5.2
203.04005	24.5
207.03499	3.6
209.03041	2.5
210.06119	6.5
211.04524	11.4
213.02507	10.1
213.06114	3.9
215.04025	7.9
217.05585	4.0
219.01805	15.2
221.02997	9.9
221.05096	7.9
223.04604	5.0
225.02571	2.6
227.02039	3.6
227.04030	7.7
229.05550	8.7
231.03497	23.6
233.05196	3.7
237.00673	8.6
237.02740	29.1
237.04776	2.9
239.02185	4.2
239.04337	4.5
243.03690	2.7
245.05078	100.0
247.04790	2.4
249.04720	3.3
255.01624	4.8
255.03896	3.2
257.03299	4.5
259.06915	2.6
261.02945	7.8
263.03925	2.2
263.06262	15.0
263.20273	2.6
271.06689	15.5
273.02628	4.7
275.02490	41.6
275.06128	20.3
279.03815	4.7
285.02963	2.7
287.02454	20.8
289.07877	3.7
293.03586	27.5
293.06824	4.9
300.98523	2.7
303.04721	4.4
305.03583	19.9
305.07211	7.3
315.05475	5.5
316.05325	3.2
317.03586	3.7
318.68219	2.7
321.04779	4.5
335.04581	25.3
335.08069	3.8
341.03641	4.1
351.05988	5.0
351.11444	3.0
359.04498	20.3
365.09311	3.4
377.05664	45.5
383.06592	7.6
395.06726	56.8
395.12552	3.6
399.25201	2.4
401.07260	4.2
460.31418	2.3
497.08923	3.2
515.10376	5.2
538.99481	2.3
539.10095	3.0
557.11731	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	556.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.8
57.05800	1.0
57.07077	46.6
63.39565	1.3
63.39891	1.0
67.05508	1.6
69.07066	5.3
69.67615	2.9
69.68041	4.5
71.08633	39.3
73.06567	5.1
83.08601	4.2
85.10186	25.6
87.04464	6.0
89.06030	100.0
97.10157	4.7
99.11710	6.2
104.10665	1.2
105.54971	1.0
107.07072	5.1
109.10165	1.2
111.11717	3.5
113.13271	5.5
117.09149	5.2
117.86565	1.1
119.72005	0.9
129.07091	0.9
130.08646	3.4
131.07031	1.8
133.08600	64.9
135.10185	1.3
141.32008	1.0
152.98904	1.0
177.11212	29.1
177.12694	2.0
184.60335	1.0
213.22107	1.3
221.13855	4.8
239.14781	2.3
257.24734	3.8
283.17505	4.0
283.26428	1.4
301.27451	3.4
309.97122	1.2
327.20157	2.0
371.22760	12.8
539.41620	7.0
556.44214	1.6
556.52783	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.5
57.03442	2.1
59.05005	1.1
65.03941	2.3
67.05514	0.9
69.01164	0.8
69.03434	8.3
69.07059	1.4
70.06583	0.8
71.58938	1.0
79.05508	1.3
81.03423	1.3
81.07055	2.1
82.41853	1.0
85.02905	8.5
87.04484	5.9
91.05482	100.0
93.07050	1.6
95.04967	1.0
95.08595	1.0
97.02895	9.2
105.07043	1.6
107.04933	1.1
107.08592	0.9
115.03935	8.2
127.03969	1.4
129.06993	1.0
133.04976	6.8
133.10126	0.9
137.05952	1.0
139.03944	1.4
153.01830	1.1
167.03458	1.1
167.07056	4.1
168.07368	1.7
175.40961	0.8
177.05508	1.2
200.48999	0.9
245.07986	4.0
343.52548	1.0
418.22449	0.8
556.27802	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02829	4.8
54.79163	4.4
57.03438	8.8
69.03438	27.0
69.07094	4.6
69.40569	20.8
69.40985	23.2
70.06586	10.9
79.29559	4.7
85.02890	20.8
87.04471	14.0
91.04964	8.7
91.05481	100.0
92.97796	4.6
93.04312	5.2
93.07020	7.2
94.34190	3.9
95.08611	5.1
97.02898	27.8
98.20695	8.5
105.07024	6.6
111.04434	5.1
115.03934	25.0
120.08079	5.3
121.06528	6.0
123.04404	7.3
123.18604	5.0
130.69051	4.7
131.04906	6.0
133.04980	24.6
133.10168	5.5
137.05884	5.3
139.03870	12.8
151.03969	6.0
153.01802	5.5
245.08086	5.9
269.08066	4.9
335.13400	5.7
381.83347	5.2
527.59711	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	556.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	10.6
57.07068	39.5
67.05493	13.8
70.52075	19.8
71.08631	15.1
79.05486	19.2
81.07063	12.2
82.23979	9.4
83.08617	10.9
89.06034	21.1
93.07050	21.9
95.08593	26.0
104.10795	13.6
104.72742	8.4
107.08620	20.2
115.60181	9.2
133.08597	12.7
135.11678	27.5
136.15198	8.1
145.10159	21.3
145.61382	9.5
163.11194	31.3
181.12334	8.3
194.34598	8.6
227.12749	66.7
281.13434	10.5
283.15350	49.2
313.27335	100.0
324.07434	9.7
325.89014	9.5
331.25693	10.0
374.71774	9.1
521.38416	56.3
534.73267	10.1
535.55640	8.6
556.53101	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	556.442
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10708	1.4
55.05505	6.2
57.07076	55.9
61.52942	1.3
63.75701	1.5
67.05486	5.2
69.07050	10.3
70.02309	8.2
70.06587	1.5
71.08633	46.5
73.06551	6.0
79.05490	3.8
81.07053	2.1
83.08602	3.1
85.10178	33.4
87.04464	5.6
89.06033	100.0
91.05485	2.4
93.07046	2.3
95.08582	2.6
97.10154	4.2
99.11734	10.5
105.07059	2.2
107.07075	5.7
109.10122	2.3
111.11715	3.3
113.13252	4.3
117.09141	5.8
119.08610	1.7
130.08626	2.0
133.08603	65.7
161.11781	1.9
169.06030	1.6
169.19559	5.2
177.11215	24.0
183.11679	1.7
213.22136	3.4
221.13867	6.3
222.36568	1.7
239.14809	1.8
245.92242	1.4
257.24637	3.5
283.17551	3.4
283.26297	2.5
293.21371	1.7
301.27304	4.4
327.20026	1.9
371.22678	6.7
539.41766	8.3
556.37567	4.5
556.52991	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	556.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	8.4
67.05500	6.3
68.85214	3.3
69.03423	30.7
70.06586	6.3
70.88355	9.8
79.05463	3.7
81.03437	4.3
81.07063	7.2
85.02921	19.9
87.04473	17.8
91.05485	100.0
97.02895	20.7
97.06521	4.6
105.07020	4.9
113.45928	3.3
115.03935	24.4
121.06564	3.8
123.04464	11.4
124.04800	7.1
127.03896	3.4
133.04950	30.7
133.06483	3.6
139.03911	11.1
147.04396	4.9
147.34810	3.2
151.03903	4.1
189.23637	3.1
192.87810	3.2
245.08163	4.2
269.08011	4.1
311.09143	5.5
323.09198	4.3
358.40359	3.6
477.58621	3.7
556.28345	5.1
557.12408	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	555.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05800	4.0
53.03951	9.5
54.32006	4.3
55.01865	39.0
55.05509	29.4
57.03441	5.2
65.03945	9.9
66.24165	4.0
67.05500	73.3
69.03441	4.2
69.07066	42.6
71.58980	5.6
74.70383	4.4
79.05490	94.1
79.05952	5.4
81.03421	16.9
81.07055	85.9
83.04984	18.9
83.08619	13.8
87.11298	3.9
91.05487	86.2
93.07044	66.6
95.01341	15.7
95.04961	32.6
95.08607	55.7
97.06529	60.1
97.10170	4.6
97.34973	4.0
103.05462	5.3
105.07023	96.4
107.04943	31.8
107.08576	29.9
109.06517	9.9
109.10138	11.5
115.05410	4.7
115.59751	3.8
117.06990	23.9
119.08586	52.4
121.10133	13.6
123.04411	4.8
123.08085	5.9
129.07013	14.5
131.08571	33.7
133.10136	51.4
135.08086	4.1
135.11707	16.8
137.09712	5.2
143.08578	12.6
145.10106	23.0
147.11699	36.7
149.09592	9.5
157.10185	9.0
159.11691	16.9
161.09631	5.6
161.13260	13.0
162.10320	3.9
163.11214	11.4
169.10139	4.9
171.11729	17.0
173.13234	8.8
177.12787	7.9
179.14371	22.3
184.40367	3.6
187.11188	7.7
189.12784	6.0
207.13837	12.9
247.20560	6.0
257.18994	10.3
275.17291	7.2
275.20090	100.0
279.15710	9.6
284.75403	4.9
293.21191	13.3
463.32382	6.7
521.00409	5.2
555.29108	5.2
555.36902	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.5
53.03944	8.1
55.01625	1.9
55.01872	28.9
55.05266	1.8
55.05513	28.1
55.12639	1.2
57.03429	3.9
57.07078	6.1
60.42329	1.0
65.03926	4.2
67.05504	73.2
69.03424	1.7
69.07069	40.2
69.88433	5.4
69.88853	2.1
71.04989	3.4
71.08630	3.1
73.06543	2.1
79.05492	79.3
81.03423	13.2
81.07056	72.9
83.04977	15.4
83.08617	12.3
85.06525	3.3
85.10164	1.5
88.07674	1.2
91.05480	81.7
93.07045	59.8
95.01334	12.4
95.04969	31.0
95.08605	44.3
97.02905	1.2
97.06530	66.2
97.10171	5.9
98.20782	1.3
98.98454	11.1
99.08109	1.7
103.05465	2.8
105.04552	2.8
105.07031	88.9
106.07345	1.4
107.04964	26.4
107.08602	25.8
109.02885	1.6
109.06503	7.8
109.10138	9.9
111.04456	1.3
111.08080	4.6
115.05451	3.4
117.07008	18.9
119.08581	51.8
120.08826	1.3
121.06550	5.4
121.10144	10.3
123.04427	2.5
123.08079	6.9
123.11694	3.3
125.09628	2.2
128.06252	2.4
129.07007	14.0
130.07761	1.3
131.08562	22.1
133.06514	2.7
133.10130	44.7
135.08029	4.3
135.11682	8.8
137.09641	2.9
139.07536	3.3
141.07039	3.6
142.07828	1.9
143.08536	10.1
145.06502	2.1
145.10124	23.7
147.08008	3.9
147.11688	37.1
149.09608	9.9
149.13251	5.3
151.11180	3.4
155.01044	14.6
155.08537	2.6
157.10123	3.2
159.11674	14.0
161.09651	3.7
161.13251	15.2
163.11159	8.0
165.09166	3.7
169.10106	4.8
171.11688	16.9
173.13332	5.3
175.11206	1.4
177.12721	6.2
179.14305	23.2
183.11722	4.1
185.13142	1.6
187.11189	4.7
189.12640	5.9
195.11717	1.8
195.13995	1.6
197.13210	2.3
205.12286	2.1
207.13742	8.4
215.18034	1.4
225.14890	2.0
229.19432	2.1
233.19034	1.4
239.18007	2.6
239.23621	1.8
241.14259	2.0
241.19597	2.0
247.20580	5.5
257.18970	8.5
259.20593	3.4
263.16370	1.4
275.20059	100.0
276.20422	2.4
279.15900	9.7
293.21164	8.8
313.27390	8.9
349.23843	4.1
441.18967	1.4
537.35693	2.0
555.22467	3.0
555.36823	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07073	21.3
60.30490	13.0
71.08634	38.6
71.59243	14.2
71.59606	18.9
85.10174	12.2
89.06040	100.0
95.30299	12.1
133.08615	41.0
143.36839	12.6
174.17876	11.7
177.11296	12.8
191.17917	14.3
233.31447	11.3
299.29465	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	555.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43594	2.3
55.18887	2.2
57.03420	3.2
65.70036	2.3
66.92378	2.1
69.97678	10.1
69.98090	3.6
70.06570	6.0
71.04978	5.1
71.58382	1.9
79.01595	2.3
79.05496	2.6
83.04959	2.7
85.02884	10.8
95.01057	2.4
97.02889	3.3
107.04980	3.3
120.08113	4.3
123.04394	3.1
139.03738	2.4
141.05179	3.2
152.10892	2.8
153.01733	7.5
155.01001	2.6
157.89961	2.4
165.05432	2.6
185.04214	3.9
199.05814	3.4
227.05301	6.8
232.07028	30.1
233.07700	3.1
253.03383	3.4
271.04214	6.1
287.05487	7.2
288.05847	5.9
295.61414	2.3
301.09155	2.9
307.11438	4.6
317.56259	3.2
326.06512	5.3
326.56674	10.6
327.06808	2.8
335.10867	3.4
337.57318	4.2
361.02316	10.9
362.02554	2.8
379.03381	5.0
380.03473	2.9
469.16446	14.4
511.17834	93.1
512.17773	3.4
555.16779	100.0
556.16827	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	553.431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.2
57.07074	55.5
59.46833	2.1
63.55811	2.0
67.03136	1.9
69.07059	8.3
69.28511	11.6
69.28938	14.5
71.08633	48.1
73.06555	6.8
83.08611	3.4
85.10187	30.8
87.04452	3.5
89.06030	100.0
97.10172	2.8
98.20794	4.4
99.11717	8.5
107.07079	5.3
113.13289	4.7
117.09161	6.0
127.14825	3.8
128.37036	2.3
130.08629	4.4
133.08603	56.5
177.11224	13.5
241.80890	2.2
288.39005	2.2
371.22974	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.3
57.03446	1.5
61.02922	5.3
61.55468	1.1
67.05504	3.7
69.03432	4.9
69.07058	7.8
69.46679	2.8
69.47086	9.8
71.05003	2.8
73.02921	2.6
79.05488	4.2
81.03402	2.1
81.07059	11.8
82.06604	7.6
83.04986	1.6
83.08612	5.9
85.02902	18.6
85.06544	2.3
86.86075	1.2
91.03963	2.0
91.05500	2.2
93.07056	8.6
94.06577	4.4
94.54028	1.1
95.08610	21.9
97.02884	6.2
97.10167	2.9
98.20781	2.8
99.08105	9.7
104.61778	1.1
105.07029	2.4
107.08584	20.5
107.32042	1.2
108.08133	3.0
109.02861	2.4
109.10164	4.8
111.08085	4.1
113.09655	2.2
115.25530	1.2
120.08124	3.3
121.10143	40.1
121.11022	2.1
123.11672	2.2
125.09588	3.0
127.03923	4.6
129.72716	1.1
133.10156	1.7
135.11676	6.9
137.13235	4.2
145.04935	5.6
149.13251	2.9
153.01843	1.7
163.06044	2.9
177.16385	100.0
195.17444	19.9
196.17874	1.5
213.18480	30.1
226.10645	1.4
232.16978	11.0
234.18604	2.3
243.16008	2.0
253.09581	1.3
268.11710	2.7
269.17422	2.8
295.10907	1.6
313.11938	3.1
314.12140	7.9
317.16272	1.3
324.21637	8.2
342.11710	1.7
342.22781	3.4
356.24374	2.1
360.23792	1.6
373.13971	4.8
374.14371	13.4
423.15805	1.2
450.24973	1.9
486.26962	3.2
504.27716	1.6
518.29596	4.6
522.29498	5.9
549.26965	1.3
554.31744	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	553.2986
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
55.05510	0.6
55.82320	0.3
65.37019	0.4
67.05500	1.2
69.07079	0.4
70.57311	1.4
77.36900	0.4
79.05496	0.5
81.07039	0.9
91.05457	0.3
93.07028	0.6
95.08569	0.4
96.01907	0.4
98.21422	0.4
109.10120	0.8
110.76065	0.4
119.08609	0.4
133.03488	0.5
139.03882	0.4
145.10039	0.4
157.04688	0.4
182.35295	0.4
185.04265	3.3
201.03720	1.1
259.07794	0.4
263.69342	0.4
275.07394	1.4
298.36752	0.4
301.09146	0.5
317.19675	1.3
331.10034	3.4
335.20825	0.8
345.11642	0.7
346.03317	0.4
359.13242	0.9
373.14828	1.1
391.24710	0.7
401.17752	0.6
415.19379	1.3
446.09811	0.5
455.22864	0.5
483.22086	2.0
535.27795	0.6
553.29840	100.0
554.30164	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31845	0.4
55.05501	1.5
60.57368	0.4
64.79330	0.4
64.97604	0.5
67.05508	2.8
69.03420	0.6
69.07071	1.0
69.28086	1.8
69.28510	3.2
71.09881	0.4
79.05505	1.8
81.03391	1.2
81.06623	0.4
81.07064	1.8
82.06647	0.4
83.01119	0.7
83.04981	0.7
91.05469	1.2
93.07020	0.8
95.04959	1.8
95.08622	1.1
96.01874	0.6
97.69968	0.4
98.21520	1.0
105.07028	1.0
107.04938	0.4
107.08607	1.0
109.10135	0.8
117.07016	0.9
119.08578	0.5
121.06522	0.5
121.22691	0.4
125.09649	0.5
129.07025	0.8
131.08565	0.5
133.06505	0.5
133.10086	0.8
141.07021	0.6
143.08559	0.7
145.06584	0.6
145.10213	0.6
147.11696	0.5
159.08008	0.7
161.03038	0.5
164.80577	0.5
167.08621	0.5
171.08022	0.7
185.04276	1.2
185.09674	0.8
201.03693	1.3
203.05293	1.9
255.13910	0.7
259.08044	2.1
269.15311	0.7
282.55777	0.5
297.33383	0.5
317.19739	1.7
331.09927	2.2
335.20789	1.3
359.13251	0.6
359.20782	1.0
415.19122	0.6
435.62610	0.7
455.22327	0.9
483.22125	1.3
535.30292	0.5
553.29840	100.0
554.30365	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2779
Annotation	Saucerneol A
Peak:m/z	Relative Intensity
51.16304	2.4
55.01889	2.3
55.05514	2.7
56.96550	3.7
58.38897	2.6
67.05515	15.0
69.03394	2.5
69.07068	4.3
76.04771	2.3
79.05487	4.3
81.07050	9.1
91.05469	6.1
93.07030	7.2
95.04972	7.3
95.08592	4.1
96.15343	2.4
98.97572	7.6
104.17957	2.9
105.07013	3.3
107.08589	4.9
109.10140	3.4
112.99185	2.6
116.98643	5.7
127.03899	4.0
131.00182	2.8
131.08580	2.9
131.17943	2.5
134.99649	6.7
135.11699	9.4
149.01216	8.7
158.99695	3.2
163.11174	2.5
173.59306	2.5
177.00728	9.6
181.12273	7.0
193.08467	3.5
211.09653	6.4
293.05475	8.1
317.17908	12.7
325.62405	2.6
335.19052	6.2
338.17169	3.0
484.01987	3.0
525.02148	2.8
553.27747	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
57.03431	0.8
60.54907	0.5
61.02927	1.0
69.03422	1.4
70.06586	1.4
71.58462	0.6
81.03410	1.4
85.02897	2.0
86.09704	1.0
93.07043	0.9
94.06577	0.7
95.04980	0.8
97.02892	1.4
107.04982	0.6
108.04494	2.5
109.02884	1.1
109.10198	0.5
110.79509	0.6
120.04385	0.7
121.06516	0.6
121.10183	0.6
122.06036	1.4
123.04478	0.8
127.03918	0.7
135.04434	0.9
137.05972	1.0
138.05518	0.8
140.07068	1.7
145.04861	0.6
146.06010	2.2
148.03949	0.5
148.07518	0.9
150.05542	0.8
151.03879	0.8
163.03874	1.3
166.05031	0.9
167.07051	0.5
168.06541	3.5
174.05565	1.0
177.05469	0.9
177.16377	0.8
193.07559	0.7
194.09737	0.5
196.11308	0.6
198.09248	0.7
204.06577	0.8
206.08206	1.3
211.08664	11.9
211.12172	1.1
212.09361	2.6
213.10254	3.0
221.10732	1.5
222.09142	2.0
223.08578	1.1
223.12149	0.6
224.09140	1.0
224.10968	1.3
225.06636	1.7
225.10199	11.0
225.12395	0.7
226.10991	0.9
227.11736	0.6
229.14311	0.7
238.11150	0.9
239.08098	1.2
239.11766	12.4
240.08951	1.4
240.12378	0.5
241.09805	2.4
241.13429	1.4
245.12946	0.9
249.10193	1.2
250.08545	1.0
251.08136	1.4
252.08705	2.7
253.09721	11.7
254.10442	1.8
255.11261	0.9
257.12769	0.9
267.08398	1.0
267.11292	17.8
268.11948	1.7
269.12830	1.3
281.09265	0.8
283.10794	1.9
285.09198	0.9
285.12347	4.2
295.10782	13.2
297.12311	1.5
301.11752	0.6
313.11813	63.5
314.12408	1.0
323.10202	2.1
327.13367	0.8
341.11285	16.8
355.12805	1.5
359.12308	7.1
373.13937	100.0
374.14401	3.0
391.14984	1.8
470.70944	0.6
521.17737	12.8
553.20135	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36629	0.7
50.49801	0.8
67.05501	1.2
68.99791	1.1
71.20470	2.0
74.01573	0.9
77.34564	0.7
79.05500	0.8
81.03408	2.5
91.05486	1.0
93.07028	0.9
95.04942	1.2
107.04984	5.0
118.04184	0.8
119.04925	2.3
121.02898	2.1
121.06478	2.0
132.05708	1.0
133.06487	1.2
135.04402	1.4
137.02335	20.4
153.07104	1.3
155.03406	4.3
155.76631	0.8
161.05991	1.0
163.03970	1.0
165.06987	1.2
168.05711	0.8
175.03973	0.9
181.06488	1.0
182.07324	0.9
183.08131	1.0
184.03717	1.0
197.05980	1.4
198.06789	1.4
210.06746	2.6
211.07640	1.6
212.04457	1.1
221.05873	0.8
224.08421	0.8
225.05534	1.5
225.09119	7.7
227.07074	2.2
237.05472	1.0
239.06999	1.4
240.04207	1.0
241.05029	0.8
243.10231	2.0
249.05408	1.4
255.06499	8.3
256.07211	1.8
267.06558	1.9
269.08011	1.6
270.08997	1.4
283.06039	1.9
284.06662	5.7
286.09653	0.8
297.07535	2.5
298.08530	1.3
299.09097	22.3
309.07556	4.6
311.09103	0.9
329.11798	1.3
329.36627	1.1
339.09039	1.5
345.11084	1.2
359.12939	1.7
361.14407	0.9
373.10663	1.3
374.11588	1.6
385.10718	3.7
396.43713	0.8
401.10226	7.6
402.11014	3.0
415.11826	8.5
417.13315	100.0
418.13663	2.5
443.11243	9.6
553.14905	89.8
553.29675	7.8
554.15240	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	553.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
71.59161	5.8
73.63342	2.7
79.05479	4.4
81.03403	3.0
81.07039	5.0
94.04123	3.4
95.04961	3.4
105.03396	3.3
109.06529	10.7
133.06519	7.5
137.02313	22.6
137.05975	53.3
137.31926	2.8
161.05960	27.8
167.04942	3.5
173.49379	2.7
177.05493	3.7
199.07623	4.1
213.05377	3.1
227.07007	7.5
237.05490	5.2
241.04991	11.2
255.06529	9.5
265.04993	9.8
267.06586	10.8
269.04456	6.1
269.08011	3.8
280.07309	49.8
281.04443	3.6
293.08182	4.0
303.06204	4.1
317.08054	4.1
327.06689	3.6
331.06042	3.4
340.07431	3.3
369.07513	3.7
371.09048	3.2
387.08566	4.2
388.09491	3.7
399.08643	4.2
403.11813	10.4
405.09625	20.0
417.09753	10.7
461.10443	5.8
507.14484	6.9
535.13910	53.7
553.14899	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.3
56.05037	6.3
60.04505	6.0
61.13403	3.7
67.05499	10.8
68.48457	3.6
69.07058	11.3
69.88409	22.5
71.18589	3.7
75.48561	3.3
78.47761	4.3
79.05492	15.0
81.07054	15.3
82.06576	12.0
83.08621	7.1
90.57610	3.6
91.05471	10.1
93.07047	12.4
94.06551	19.7
95.07327	11.2
95.08595	13.0
96.08147	6.8
97.10169	4.1
105.07035	8.1
107.08656	5.4
108.08166	3.5
119.08590	5.9
121.10118	7.9
122.09737	4.2
139.34375	4.0
170.20392	3.5
245.22612	4.1
250.25394	9.6
262.25308	100.0
280.26361	7.1
300.86740	3.8
326.33258	4.2
443.50168	3.5
516.47791	7.0
552.54803	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
70.03288	9.5
70.03700	3.3
72.19931	2.2
89.96220	2.2
94.93005	6.4
166.52475	2.6
172.92252	2.2
173.60606	2.3
186.93143	5.2
203.04097	2.6
210.94072	100.0
210.99846	18.6
211.90393	2.4
217.79503	2.6
228.94238	7.0
228.99646	3.4
239.22333	2.4
246.95273	3.1
270.94998	5.6
271.00687	32.5
271.08401	3.3
283.00531	11.5
288.96414	3.6
301.01553	3.3
331.02884	5.1
381.07950	13.4
389.87897	3.0
391.58890	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	552.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.7
58.06598	1.5
60.08160	14.8
67.05492	1.6
67.86565	1.1
69.29501	4.6
69.29923	7.0
71.07356	5.1
72.02057	1.0
81.07039	1.8
86.09706	48.2
91.05537	1.1
95.04951	1.3
95.08595	1.2
95.74255	1.1
96.72791	1.0
98.20575	2.0
98.98447	3.4
104.10741	85.1
125.00008	28.1
128.21758	1.0
137.02339	2.9
146.30688	1.1
184.07338	100.0
187.30893	1.1
213.05531	5.7
213.07243	1.0
221.31184	1.1
225.05304	1.5
239.03296	1.3
241.04968	5.6
255.06511	1.9
258.10959	2.3
269.04413	3.0
270.05328	2.9
277.60007	1.1
283.05942	3.6
284.06894	1.5
285.07635	8.2
316.35922	1.3
434.23090	1.7
452.24084	5.8
516.30768	1.7
534.31909	7.3
552.33539	9.2
553.11230	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	552.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	4.6
56.05024	3.9
57.07067	3.5
67.05500	12.1
69.07069	7.0
74.33383	3.5
79.05480	12.3
80.04977	4.3
81.07055	15.5
82.06580	8.1
83.08624	5.7
91.05506	4.7
93.07030	5.7
94.06577	17.4
95.07349	5.8
95.08621	8.9
96.08084	5.0
98.20718	5.6
105.07056	7.4
107.08602	7.2
109.10169	3.0
119.08609	5.0
119.26167	2.8
121.10133	7.3
153.13255	3.3
181.23656	3.0
197.22867	3.2
207.42787	2.9
250.25352	11.1
262.25311	100.0
262.28110	6.9
272.25687	4.2
273.46909	3.1
280.26331	6.6
330.44531	3.2
375.20251	3.6
394.37189	3.0
454.77368	3.2
516.47968	7.5
534.48651	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	552.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.4
56.05035	0.7
58.06614	0.7
60.08164	6.4
67.05506	0.8
70.79178	1.3
71.07367	3.5
78.59764	0.4
79.05479	0.4
81.07041	0.8
86.09705	32.2
86.98136	0.4
91.05494	0.5
95.04951	0.5
98.98464	3.2
104.10743	8.2
113.05999	0.6
125.00002	22.2
145.10115	0.8
183.67407	0.5
184.07338	100.0
185.07491	0.5
191.71638	0.3
213.05481	0.8
238.99341	0.4
269.08060	1.1
285.07709	0.8
373.23682	0.7
452.24060	0.5
497.06445	0.4
520.17328	0.5
534.32050	1.7
552.13300	1.2
552.32593	1.6
553.11206	0.5
577.93140	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	3.2
69.89040	3.9
80.26321	0.7
81.03416	0.9
82.06574	2.5
82.99868	0.7
85.02905	1.4
86.73693	0.7
89.03925	1.1
93.34811	0.7
97.02888	1.5
98.20857	0.9
98.97572	2.5
101.00925	1.3
109.02919	1.1
116.98644	1.5
117.03345	1.3
119.01921	6.1
127.03918	1.8
131.01894	2.3
133.43056	0.7
134.99641	0.9
135.04398	1.9
135.73528	0.8
137.03001	1.1
139.03903	2.3
142.09126	0.6
143.01912	3.7
145.03551	1.7
146.99649	1.0
147.04398	2.7
149.02899	0.8
151.53886	0.6
153.01808	5.6
155.01888	2.6
157.03511	1.6
158.99606	0.8
161.02979	7.5
163.03871	7.1
164.04205	0.9
167.01974	1.4
168.05029	1.2
169.03543	0.7
173.02995	5.7
176.07744	1.3
177.00598	0.7
177.05464	1.8
185.02940	10.2
186.06114	1.1
187.04430	1.5
192.05048	1.3
196.04596	0.9
197.02995	3.4
198.06152	1.2
200.07652	4.4
201.00723	1.2
201.12627	0.6
203.02228	0.8
203.03957	2.4
210.06111	16.6
212.07739	0.9
215.04012	2.1
219.01854	1.1
226.03761	1.0
226.05724	0.8
227.03957	1.8
228.07169	42.2
229.07397	1.2
230.08757	0.9
231.15926	0.7
237.02948	1.0
238.05583	0.7
244.06783	4.3
244.99821	0.9
245.05040	17.6
246.08237	19.7
251.08733	1.5
252.07161	85.5
253.07419	2.0
256.06799	1.8
257.04944	0.8
260.06073	1.9
263.00565	1.2
263.06125	3.1
264.07138	6.8
266.08936	0.9
269.48608	0.8
270.08224	100.0
271.08569	0.9
275.05923	1.1
282.08209	9.6
284.09796	1.5
286.07831	1.8
288.09198	1.9
293.09824	3.2
294.08188	12.9
296.09839	2.2
300.09280	4.1
303.04987	2.1
304.04810	0.7
305.07156	0.8
306.08170	5.0
312.09277	28.6
324.09210	0.9
330.10367	7.5
336.09229	1.8
342.10327	2.9
354.10315	5.8
365.09128	0.8
372.06940	1.1
372.11456	13.2
390.12463	36.0
392.04706	0.9
444.14142	0.9
462.14597	0.8
534.16541	1.9
552.17706	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	551.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.4
55.05505	13.8
57.03433	4.8
57.07076	27.2
64.11472	1.4
64.89651	1.3
65.03915	1.8
67.05502	21.3
69.03432	2.8
69.07050	6.3
70.85255	4.0
71.04993	2.6
71.08630	20.4
79.05493	12.0
81.02979	2.5
81.03416	27.4
81.07050	23.3
83.04982	5.1
83.08613	17.9
85.02900	15.8
85.10173	9.4
91.05477	15.9
93.07066	6.6
95.04957	12.9
95.08604	19.0
97.02851	1.4
97.10155	8.7
105.07030	8.8
107.04948	2.2
107.08590	3.2
109.10135	8.6
111.08090	5.5
111.11723	4.4
113.05904	1.4
119.08578	10.2
121.06548	1.7
121.10155	4.2
123.11716	6.2
125.13258	1.6
129.06993	3.3
131.08595	4.3
133.10153	3.5
137.13257	2.9
142.07742	1.9
147.11691	6.0
149.09653	1.8
157.10115	3.7
165.12759	1.6
175.11166	11.1
193.12244	40.0
201.42720	1.2
211.13283	48.7
249.14876	1.7
267.16025	2.1
267.26822	3.6
273.01184	1.3
321.40225	1.4
341.30426	3.8
533.42261	1.5
551.29541	3.6
551.43048	100.0
552.43536	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.7
55.01865	2.2
55.05515	25.3
57.03441	9.5
57.07075	38.8
59.65627	1.7
67.05132	2.2
67.05505	43.3
69.03436	3.5
69.07069	20.1
71.04986	7.2
71.08630	21.3
79.05488	22.2
81.03419	51.7
81.07061	46.1
83.04980	9.9
83.08624	29.1
85.02902	25.3
85.06537	3.8
85.10199	11.0
91.05485	25.9
93.07043	15.8
95.04965	22.5
95.08605	38.0
97.06525	3.2
97.10168	18.2
98.21553	2.8
105.07028	14.4
107.04969	4.7
107.08607	5.8
109.06537	3.6
109.10172	18.8
111.04483	2.0
111.08102	8.8
111.11736	5.9
117.07063	1.9
119.08595	14.9
121.10172	6.2
123.11702	8.5
126.90461	1.4
129.06996	9.3
131.08586	8.4
133.10144	6.8
137.13214	3.1
142.07750	1.8
147.11717	10.4
149.09674	5.9
157.10144	10.5
157.39803	1.9
165.12796	3.1
175.11211	11.2
175.75755	1.9
193.12233	46.9
193.13850	3.0
211.13293	49.5
211.15271	2.7
212.13766	1.6
246.87085	1.7
267.15967	8.3
267.89603	1.6
341.30603	8.9
405.15753	1.7
456.76035	2.0
533.41547	2.5
551.43085	100.0
552.43158	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	551.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	12.2
67.05496	27.7
69.07061	20.5
70.38206	29.8
79.05489	20.1
81.07058	48.0
83.08613	15.3
84.52105	6.2
91.05486	33.7
91.95320	6.0
93.07046	63.3
95.04976	6.7
95.08619	54.2
98.32516	6.2
105.07030	75.6
107.08591	69.8
109.10164	43.7
114.97421	6.4
117.06994	17.9
119.08589	100.0
121.10152	43.1
123.11669	19.5
124.57603	7.3
131.08554	37.4
133.10103	48.4
135.11678	48.0
142.07758	15.8
143.08539	15.5
144.09334	11.7
145.10132	73.8
147.11673	29.3
149.13258	8.8
155.08531	7.9
156.09340	13.9
157.10127	36.8
159.11703	28.5
161.13261	13.4
169.10107	20.8
171.11679	24.4
173.13303	22.1
175.14825	43.9
181.10144	9.3
183.11702	22.7
185.13167	18.6
187.14822	16.6
193.10164	8.2
194.10966	6.9
195.11690	11.1
196.12477	8.3
197.13295	12.5
199.14835	11.6
201.16408	12.4
209.13356	8.2
211.14734	17.0
223.14702	17.5
235.14896	9.2
405.93161	7.6
531.67926	7.5
551.42938	40.1
551.50177	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	551.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95499	8.5
55.05503	9.6
61.98747	8.3
67.05515	12.7
69.07069	12.7
69.26862	9.5
69.27187	100.0
73.31879	7.6
81.07046	45.2
83.08633	9.8
85.02891	14.2
86.53176	8.3
91.05450	8.0
93.07048	17.7
95.08619	54.9
98.20756	13.6
101.02365	14.4
105.07032	22.4
107.08582	31.2
109.10144	40.6
111.40417	7.6
115.68452	7.4
119.08560	32.8
121.10117	24.7
123.11696	22.1
127.03930	55.8
132.36252	9.1
133.10100	16.7
135.11696	10.4
137.13263	14.0
139.56184	8.0
145.04918	13.9
145.10207	13.6
147.11653	16.2
149.13281	10.4
156.32803	8.0
159.11673	12.8
161.13245	19.9
163.14798	8.3
167.06992	9.7
175.14836	9.0
177.16411	17.9
189.16403	15.0
201.16403	13.6
203.18079	12.2
215.17825	8.3
217.19481	16.7
217.40773	8.5
225.54234	8.0
257.22763	9.2
258.30438	8.6
303.05054	11.9
407.36975	40.6
454.13538	9.3
551.13361	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	551.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35426	0.4
53.03931	0.9
55.01870	1.0
55.05273	0.5
55.05513	6.4
57.03436	2.3
57.07073	0.7
64.84550	0.5
65.03934	1.4
67.05174	0.7
67.05504	9.2
69.06735	0.7
69.07071	8.9
70.47075	1.4
71.04988	0.9
77.03886	0.4
79.05498	3.8
81.03419	0.5
81.07059	11.2
83.08620	3.8
85.02881	0.5
85.06546	0.9
91.05482	15.8
92.89947	0.5
93.07041	3.7
95.04960	0.9
95.08611	9.5
97.06509	1.5
97.10165	3.4
103.05460	1.1
105.03376	0.7
105.07021	2.4
107.04939	0.5
107.08585	1.8
109.10162	4.8
111.08060	0.7
111.11715	1.2
118.04147	0.7
119.04944	23.9
119.08578	1.3
121.10145	2.3
123.11688	1.7
129.03363	0.6
129.05550	0.5
131.04903	0.6
133.10098	1.9
135.04408	0.4
135.11691	2.0
137.09633	0.6
137.13286	0.5
139.11102	0.8
147.04422	21.3
147.11636	1.3
149.02341	1.0
149.13232	0.6
151.11171	0.6
151.14874	0.7
153.12732	0.8
157.03969	1.4
161.13228	1.2
164.04671	1.3
165.12701	0.6
175.03911	41.5
176.04306	0.5
177.01831	0.5
179.07021	1.4
179.14265	0.6
192.04192	6.9
193.04993	0.6
199.65623	0.5
207.06532	100.0
208.06892	1.0
217.19498	2.0
225.07588	13.5
235.20596	2.0
253.21629	0.7
273.30939	0.5
281.10245	0.7
303.05042	2.7
309.24329	3.2
327.25278	13.7
370.25220	0.5
551.28217	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	551.2823
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
67.05501	2.1
69.03425	1.7
78.20979	1.3
79.05469	1.6
81.03416	2.0
81.07044	3.9
83.08660	1.8
85.02911	1.7
86.09699	2.4
91.05491	2.9
93.07056	2.2
102.55924	1.2
104.10730	1.9
109.02869	1.3
128.73195	1.4
182.49489	1.3
184.07365	8.0
294.61108	1.5
303.04938	10.7
329.11447	1.9
341.49185	1.2
389.23251	2.5
551.28271	100.0
552.28540	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.3
57.03431	2.5
58.51452	0.7
63.05402	0.9
64.29285	0.7
65.03931	1.8
67.05230	0.9
67.05507	9.1
69.03425	1.0
69.07075	8.0
69.07440	1.4
69.31393	6.5
69.31804	1.8
79.05483	3.4
81.07056	10.0
83.08612	4.2
85.02891	1.3
85.06561	1.0
91.05486	20.7
93.07059	5.1
95.08611	9.8
97.06554	1.4
97.10172	3.6
99.08088	1.3
103.05463	1.0
105.07029	2.9
107.08587	2.4
109.02912	1.2
109.10165	3.6
111.11751	1.5
119.04943	26.7
119.08605	2.7
121.10112	4.3
123.11739	1.3
126.62556	0.8
129.03381	1.0
129.60562	0.8
132.61386	1.0
133.10149	2.2
135.11700	4.0
147.04410	24.0
147.11664	1.6
151.11179	0.9
153.12744	0.9
157.03978	2.3
161.13193	1.4
164.04709	1.6
165.12811	0.9
175.03912	42.7
179.07079	2.6
192.04164	10.3
207.06532	100.0
217.19525	3.5
217.73643	0.9
225.07590	12.2
230.26579	0.8
235.20604	3.5
253.21849	2.0
281.10239	1.1
293.22369	0.8
303.04977	5.3
309.24231	2.4
313.44601	1.0
327.25317	13.3
376.22754	0.9
389.22623	1.0
551.28235	42.4
572.84479	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.9
55.05497	2.8
64.38206	0.9
67.05487	3.4
69.03424	1.0
69.07057	2.9
69.39005	0.8
71.03945	2.4
79.05482	2.3
79.63696	0.8
81.03404	1.3
81.07049	3.7
83.08604	1.6
91.05478	7.5
93.07021	1.5
94.12938	0.9
95.08604	4.0
97.10151	1.5
104.10728	1.0
105.06974	1.6
109.10145	2.0
115.54422	1.0
119.04955	7.1
121.45734	0.9
127.03918	1.3
135.11681	1.1
137.41586	0.9
138.97809	1.0
147.04385	7.6
149.02359	1.8
157.03958	1.0
175.03926	13.6
192.04224	2.8
207.06522	30.1
207.08397	1.8
217.19577	1.0
224.17987	0.9
225.07535	3.0
244.12866	1.0
303.05017	6.3
309.24255	1.4
327.25372	4.2
364.79062	1.0
389.22925	2.5
551.28278	100.0
552.28741	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	551.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.5
53.03951	2.8
55.01866	1.4
57.03420	0.5
61.02909	1.3
65.03936	1.4
67.05489	0.9
68.99786	1.0
69.03451	3.7
69.07037	0.7
70.06591	1.0
71.04990	2.7
71.58789	0.6
72.52734	0.6
73.02904	0.6
75.73157	0.5
77.03880	0.6
79.05487	1.9
81.03416	12.0
81.07030	1.2
83.05011	0.6
85.02914	8.2
85.06541	1.4
85.67529	0.5
85.99049	0.5
87.00836	3.3
91.05476	5.3
93.07031	2.4
94.04184	3.7
95.04992	2.7
97.02896	2.3
99.04446	1.3
103.05466	25.1
104.05796	0.6
105.01868	1.5
105.07034	3.0
107.04958	3.0
107.08568	0.6
109.02878	3.2
109.06512	1.2
113.06007	9.2
115.05478	2.6
117.07037	3.2
119.04930	1.2
121.06505	5.7
122.03650	7.0
123.04425	2.3
123.08059	0.8
125.06020	0.9
127.03938	3.8
129.01857	1.1
129.06989	1.5
129.39021	0.5
131.04922	36.9
133.06461	3.9
134.64018	0.5
135.04399	1.4
135.08078	1.0
137.05978	100.0
138.06366	0.8
139.03874	0.7
141.05431	0.8
143.04980	1.2
144.05750	0.9
145.04897	1.0
145.06485	4.7
147.02888	1.0
147.04416	3.1
148.05191	0.8
149.05984	10.2
151.03903	11.2
151.04990	1.0
151.07530	9.3
152.04805	0.6
153.01854	1.2
153.05482	2.2
157.06511	0.9
159.02917	1.1
159.08089	0.8
160.05199	0.6
161.05977	4.3
163.03899	3.2
163.07545	36.2
165.05542	0.8
165.09100	0.6
167.07030	7.7
172.05287	0.7
173.05994	4.9
174.06732	0.8
175.03909	1.4
175.07549	3.8
177.05489	1.5
177.09047	1.1
178.06268	7.2
179.07024	0.8
181.04964	1.9
181.08543	2.9
185.05978	1.4
187.07478	2.7
189.05540	0.7
189.09117	1.5
191.07018	9.2
193.08609	6.8
195.08032	0.5
197.05913	0.6
203.07060	1.3
205.08611	5.0
207.10219	0.7
211.07512	1.5
215.07057	2.2
217.08574	1.1
229.08539	0.7
235.07506	1.0
235.09628	1.8
237.09239	0.7
238.75729	0.6
239.07040	1.4
249.09157	0.8
253.08592	0.7
257.08118	1.8
265.10687	3.5
291.09854	0.6
295.09552	0.8
299.12674	0.9
303.04880	7.2
303.12302	2.7
313.10657	0.8
321.11066	0.6
324.77881	0.5
327.12332	4.2
329.14035	0.9
345.13367	2.1
345.61682	0.7
351.12192	1.0
353.13406	0.9
355.11679	0.7
365.13663	0.7
369.13419	3.1
387.14316	0.6
393.13120	1.5
411.14435	1.9
519.19629	2.5
551.22400	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62564	0.5
51.57016	0.4
53.03929	1.3
54.10487	0.4
57.03436	0.9
61.02928	0.9
68.99783	0.8
69.03436	6.3
69.45890	2.4
69.46321	1.7
71.04982	1.4
81.03425	4.4
81.07056	0.5
82.74483	0.4
85.02509	0.5
85.02910	5.7
87.00838	2.5
93.03405	0.6
95.04971	0.6
97.02892	12.9
99.04481	2.3
99.86765	0.4
102.35790	0.4
105.01849	1.2
109.02850	2.6
111.00800	1.2
121.02862	1.1
123.04415	0.8
127.03904	4.2
127.16682	0.6
137.02350	3.9
145.04942	5.2
147.04428	0.5
153.01793	4.5
161.05992	0.5
165.01834	2.3
173.05937	0.5
183.02855	1.0
187.03970	0.5
201.05424	2.0
229.04964	5.1
247.05914	0.7
257.04413	3.1
274.04782	1.0
285.03973	1.2
303.04990	100.0
304.05258	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57706	4.4
71.58044	3.0
75.33770	3.1
118.06550	20.4
128.03967	3.0
132.42618	2.8
144.08101	11.5
146.06013	53.4
159.09116	7.4
161.61472	3.1
170.06033	4.8
188.07066	100.0
205.09726	51.8
391.45358	3.2
453.86407	3.5
496.01437	3.2
547.68597	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42924	0.5
65.03935	0.6
66.04736	0.6
67.47588	0.4
67.75631	0.4
70.25131	0.5
71.58133	0.6
73.65307	0.4
76.92829	0.5
79.05505	1.5
81.03403	0.9
81.07034	1.0
91.05492	3.3
93.07028	0.6
94.04186	2.3
95.04947	0.9
103.05460	1.3
105.07021	1.6
107.04949	2.1
108.90018	0.5
115.05468	0.8
119.04913	4.3
122.03658	5.5
123.04424	1.3
124.05253	0.5
128.06209	0.9
129.06985	1.2
131.04938	2.0
133.06494	1.4
137.05975	100.0
138.06320	1.0
144.68510	0.5
147.04407	12.0
147.08003	0.6
151.03957	0.7
151.07541	2.3
153.05417	0.7
156.05640	0.5
159.08038	1.2
161.05963	1.9
163.07544	2.1
167.07028	15.4
172.05110	0.8
175.07516	3.8
176.52721	0.5
181.08594	1.3
184.07365	0.6
187.07559	4.3
189.09119	0.5
190.07750	0.7
191.06950	2.5
199.07550	2.5
203.08548	1.0
207.08109	0.8
210.73233	0.6
213.19872	0.5
221.09612	0.6
231.08049	0.9
233.09656	1.1
249.09009	1.2
251.07010	0.9
260.08228	0.8
261.08954	1.2
262.09872	0.6
263.07117	0.6
277.08713	0.8
278.09317	0.7
281.11661	1.0
289.08615	1.0
290.09421	0.8
293.11703	0.9
303.04987	0.8
306.08981	0.7
309.11224	1.6
321.11209	3.2
331.65094	0.5
338.11414	0.8
341.13815	3.8
353.13824	5.5
381.96698	0.5
495.44208	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1028
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03930	2.1
55.01860	1.2
57.03423	1.0
61.02919	1.0
63.47639	0.5
68.99784	1.3
69.03127	0.5
69.03435	5.2
70.71883	0.6
70.72225	1.6
73.02907	1.5
75.72359	0.5
77.93484	0.5
81.03419	7.1
85.02906	10.8
87.00828	5.0
97.02895	3.8
99.04456	2.9
105.01865	3.3
109.02869	6.6
111.00805	1.5
121.02871	1.2
127.03913	10.1
137.02342	2.6
142.82629	0.5
145.04964	2.4
148.63725	0.5
153.01831	3.0
153.02840	0.5
159.02879	4.6
165.01871	1.8
168.36577	0.5
175.87975	0.5
181.60114	0.5
183.02919	0.6
192.87157	0.5
195.02902	0.6
201.05453	1.5
209.60500	0.5
229.04945	3.7
231.05113	0.9
236.78107	0.6
257.04413	1.8
274.04446	0.7
285.03995	1.5
303.04987	100.0
304.05344	2.2
375.14777	0.6
459.24863	0.6
481.71204	0.6
487.59000	0.6
544.98590	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06957	0.5
55.05532	0.5
56.05032	1.7
58.06620	1.4
60.08164	16.2
67.05501	1.0
70.48946	1.7
71.07372	8.3
79.05484	1.9
81.07063	1.7
86.09705	50.3
88.02995	0.6
88.58126	0.5
91.05476	1.8
93.07050	1.3
95.04950	0.5
95.08578	0.7
98.98466	4.7
103.05479	0.6
104.10743	100.0
105.07020	1.4
105.11086	0.7
107.08589	0.6
107.11532	0.4
109.10142	0.5
117.07040	0.7
121.10123	0.7
125.00003	28.7
131.08569	0.7
151.03879	0.9
167.07072	1.2
176.08728	0.5
184.07336	99.6
185.07744	0.5
221.27589	0.5
258.10889	0.9
496.28128	0.9
514.29242	8.9
532.22778	0.8
532.30389	11.6
550.31055	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.314
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.6
57.68925	0.2
58.06601	0.5
59.07394	0.2
60.08165	5.8
67.05502	0.3
70.25658	0.8
71.07365	3.1
72.08260	0.2
79.05473	0.3
81.03452	0.2
85.02932	0.3
86.09704	30.5
91.05466	0.3
93.07023	0.4
95.08575	0.2
97.06534	0.2
98.98463	2.7
103.05465	0.2
104.10734	4.0
109.10135	0.2
117.19908	0.2
119.08566	0.3
125.00004	20.9
137.02274	0.2
137.05965	0.3
138.06303	0.2
143.01024	0.5
144.15022	0.2
154.11819	0.2
167.07079	0.5
184.07336	100.0
263.78232	0.2
301.07010	0.4
302.07330	0.4
514.29126	0.5
518.18976	0.4
532.30188	1.7
550.11096	0.8
550.31171	0.4
551.18805	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68122	1.2
55.01865	6.8
55.05496	5.0
56.96548	1.6
58.99580	8.8
61.86663	1.3
67.05490	4.4
69.03442	3.0
70.00749	6.9
70.06571	1.8
72.04507	3.8
72.08152	1.2
76.02225	35.0
79.05492	3.9
79.91217	1.3
80.04987	1.8
81.03416	15.3
81.07042	5.4
83.04974	4.9
83.06098	2.1
83.08597	5.7
84.04498	12.1
84.08134	1.6
85.02884	4.8
86.09707	2.6
86.99012	1.4
87.00796	1.8
88.02192	1.7
90.05548	27.2
91.05482	5.1
93.07020	2.3
94.06519	1.3
95.04967	5.5
95.08607	2.2
97.02908	3.1
97.10156	2.3
98.21499	1.8
98.97553	1.2
104.01690	5.5
105.07017	4.7
106.18812	1.2
107.04970	2.6
107.08557	1.6
110.07148	2.9
111.08089	2.3
116.01683	15.0
119.08559	3.5
120.08074	1.6
123.85513	1.2
125.09675	1.2
126.05518	2.9
127.03960	2.4
127.05019	6.4
129.06981	2.9
130.03224	2.6
130.04973	8.4
131.08571	3.1
133.10139	1.8
138.62386	1.2
142.03209	5.0
144.06535	2.4
145.06061	2.7
147.11659	1.9
157.10120	2.2
158.01405	2.9
158.02711	51.1
170.02629	1.6
175.05397	6.8
175.11188	3.1
176.03755	20.4
183.11588	1.3
191.04897	9.2
191.06616	1.4
193.06418	100.0
193.12181	10.1
211.13271	19.4
215.04868	4.5
231.63315	1.3
233.05913	13.3
237.02847	1.4
259.07364	2.1
284.62543	1.3
287.05063	2.0
301.07031	3.1
302.07443	6.6
302.31458	1.2
303.04947	11.5
304.09625	2.8
305.07990	2.1
322.10672	39.1
361.97302	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.3
53.03947	4.4
55.01853	4.1
55.05508	53.8
57.03432	13.1
57.07078	12.6
61.22399	2.8
65.03947	3.7
67.05502	67.7
69.03423	2.8
69.07066	53.3
69.07417	4.7
70.65289	5.4
71.04993	5.8
71.08626	6.5
73.85267	1.9
79.05493	35.6
81.03419	50.9
81.07054	64.2
81.07524	4.3
83.04976	12.7
83.08617	53.2
85.02895	24.7
85.06538	3.7
85.10223	4.3
91.05476	31.5
93.07044	33.3
95.04973	31.3
95.08605	51.7
97.06512	6.0
97.10152	20.3
99.08097	2.9
105.07024	23.9
107.04955	6.7
107.08591	20.9
109.06540	7.3
109.10142	27.0
111.04436	3.9
111.08062	12.4
111.11729	4.7
115.05450	3.3
117.07013	2.8
119.08593	17.9
121.10139	22.5
123.08085	3.1
123.11729	10.0
129.07010	6.4
131.08589	10.0
133.06485	3.5
133.10146	17.2
135.11708	11.8
145.10143	3.1
147.08076	2.9
147.11681	13.8
149.09656	6.5
149.13293	5.1
151.11212	7.1
157.10167	12.9
165.12775	2.5
175.11182	13.4
193.12241	60.7
211.13306	60.3
247.24292	2.5
253.14417	9.0
265.25180	11.7
267.16022	8.6
271.15536	3.3
339.28952	5.8
367.15860	2.7
439.36130	2.9
457.37018	5.8
531.40356	8.7
549.41547	100.0
550.42084	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	549.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95691	2.0
53.03939	3.5
54.25443	2.4
55.01868	2.6
55.05266	2.8
55.05510	42.2
57.03429	10.8
57.07077	14.0
65.03936	3.7
67.05504	56.5
69.03426	6.0
69.06718	3.9
69.07066	43.1
71.04993	7.8
71.08640	4.6
71.59858	2.6
79.05483	31.3
81.03416	54.1
81.07053	59.4
83.04985	10.7
83.08613	47.2
85.02898	23.8
85.06542	4.7
85.10178	3.7
91.05470	27.9
93.07030	26.2
95.04963	24.5
95.08601	52.1
97.06539	2.9
97.10187	17.4
103.05381	1.9
105.07027	23.3
107.08586	16.7
109.06539	4.8
109.10152	22.1
111.08057	11.5
111.11763	3.5
111.94676	2.1
113.06019	2.7
118.34303	2.1
119.08575	14.9
121.06515	2.8
121.10146	22.5
123.08104	3.6
123.11695	10.3
125.09651	3.5
129.07005	7.0
131.08598	8.5
133.10149	8.3
135.11661	10.0
137.09702	2.2
142.07800	2.9
144.58965	2.0
145.10129	2.9
147.08078	2.5
147.11685	11.8
149.09583	4.4
149.13303	6.4
151.14882	2.4
157.10179	9.9
162.24228	1.9
163.14781	2.8
165.12781	2.7
175.11209	11.3
193.12230	56.5
211.13261	50.9
215.92557	2.2
227.12752	2.9
247.24330	2.6
265.25278	12.7
267.16022	5.0
339.29004	4.8
346.14734	2.0
447.20804	2.2
457.36871	6.1
531.40350	10.1
549.27826	3.6
549.41614	100.0
550.42065	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	549.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.3
55.01869	2.7
55.05509	43.2
57.03425	8.9
57.07074	13.4
62.14222	2.2
63.40364	2.3
63.92245	2.3
65.03938	3.2
67.05502	54.7
69.03432	4.6
69.07063	48.1
71.04977	3.5
71.08657	2.9
77.11022	2.1
79.05493	31.7
81.03416	51.4
81.03863	4.6
81.07054	61.5
83.04984	13.1
83.08620	43.1
85.02901	25.2
85.06548	6.2
85.10168	3.3
91.05476	27.6
93.07039	31.2
95.04955	24.2
95.08600	50.3
97.06515	5.4
97.10184	19.6
104.83027	2.2
105.07019	22.9
107.04964	5.7
107.08591	16.7
109.06545	4.1
109.10149	22.1
111.08080	13.5
111.11703	5.2
117.06995	2.8
119.08569	21.4
121.10129	21.4
123.11728	7.5
129.07021	7.5
131.08580	9.3
133.06551	3.0
133.10123	9.7
135.11673	11.1
137.13312	2.3
142.07645	2.6
145.10191	2.5
147.11696	15.6
149.09612	5.4
149.13258	4.1
157.10129	12.2
175.11183	12.4
193.12238	57.6
197.39221	2.3
201.35655	2.2
211.13272	53.2
237.13492	2.1
242.27016	2.7
247.24321	5.8
262.55060	2.8
265.25348	9.2
267.15967	8.3
318.79510	2.4
333.80402	2.3
339.29095	5.4
457.36829	3.1
472.68393	2.4
531.40424	6.0
549.41516	100.0
550.41791	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	549.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.1
55.01872	8.9
55.05503	36.5
57.03433	11.6
57.07067	11.1
65.03923	5.2
67.05171	8.0
67.05503	98.4
69.07059	35.4
71.05005	5.6
71.08614	5.5
71.59231	4.6
79.05494	53.3
81.03431	29.5
81.07054	100.0
83.04958	10.1
83.08618	27.8
84.25988	3.9
85.02899	10.5
85.06524	7.4
91.05471	48.3
93.07053	50.4
95.04972	20.6
95.08607	66.4
97.06525	8.1
97.10174	14.5
105.07027	54.9
107.08597	49.4
109.06521	9.2
109.10154	74.3
111.08089	8.0
111.11704	4.3
113.05990	4.3
117.07078	6.5
117.18685	3.9
119.08623	21.4
121.10131	28.5
123.11687	20.4
125.09647	4.6
131.08568	15.3
133.10146	60.7
135.11722	19.4
137.13237	4.3
145.10129	9.9
147.11659	12.1
149.13255	9.3
151.11215	28.2
159.11774	6.2
161.13316	5.4
163.14799	7.6
169.12291	9.0
175.11195	5.8
193.12257	23.0
211.13226	25.1
243.21010	6.5
253.14340	68.4
261.22238	28.9
265.25397	5.7
267.15906	5.4
271.15439	26.9
301.22189	4.4
313.85553	4.9
317.24777	6.4
335.25809	21.2
457.36478	7.9
513.35614	5.8
531.36804	12.7
531.39392	13.0
549.41815	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	549.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.1
54.24739	1.2
55.01865	2.0
55.05512	37.0
57.03447	8.8
57.07074	8.3
59.42393	1.2
62.46399	1.5
65.03954	1.6
67.05508	57.9
69.03426	2.2
69.07069	49.2
69.32416	14.3
71.04990	4.5
71.08631	3.9
79.05493	29.5
81.03419	52.1
81.07061	49.1
82.07417	1.7
83.04978	8.6
83.08624	41.7
85.02908	23.7
85.06552	3.1
85.10165	1.4
88.82977	1.3
91.05481	23.2
93.07043	24.8
94.90709	1.4
95.04976	20.2
95.08608	45.0
96.08937	1.4
97.02902	1.9
97.06512	3.4
97.10170	18.1
99.08161	1.6
105.04468	2.1
105.07033	17.6
107.04957	5.3
107.08609	14.0
109.06549	3.3
109.09447	2.4
109.10161	22.6
111.08090	11.7
111.11745	5.5
113.06038	2.1
119.08579	13.7
121.10130	18.7
123.11710	5.0
125.09692	1.4
129.06970	7.5
131.08536	9.1
133.06531	1.8
133.10172	5.1
135.11681	12.4
137.13295	2.6
142.07768	1.7
145.10109	1.7
147.08127	2.5
147.11691	13.7
149.09645	3.7
149.13213	2.5
153.12790	2.5
157.10124	9.8
159.11694	1.5
163.14919	1.4
165.12830	2.6
175.11241	10.5
193.12251	50.2
194.12456	1.9
209.19130	1.5
211.13295	60.4
247.24213	1.9
256.97406	1.4
265.25290	5.9
267.16043	6.2
276.92911	1.3
285.16959	1.8
318.77744	1.6
339.28958	4.0
439.35223	1.7
457.36716	3.3
531.39886	8.4
549.41553	100.0
550.41852	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	549.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	8.9
55.05494	29.8
57.03433	14.5
57.07072	8.6
62.96173	5.7
63.37489	5.7
67.05507	100.0
69.07057	24.0
71.04578	6.5
71.04975	7.8
71.58739	6.2
71.59113	10.3
74.00951	6.0
76.83798	6.2
79.05490	48.9
80.41154	5.8
81.03404	16.9
81.07044	85.0
83.04945	6.7
83.08627	13.6
84.08131	5.9
88.37944	5.8
91.05469	46.5
93.07045	56.5
95.04915	14.9
95.08611	45.4
97.06520	10.6
105.07017	53.4
107.08575	58.5
109.06525	10.6
109.10149	90.6
117.06983	8.8
119.08572	11.2
121.10123	21.9
123.11686	16.4
131.08511	13.7
133.10120	72.7
135.11690	10.6
147.11703	9.8
149.13234	7.3
151.11174	40.1
169.12190	8.9
173.13315	14.2
253.14372	85.5
259.27417	6.6
261.22119	27.9
271.15442	30.3
309.41992	7.6
317.24759	7.8
335.25735	19.9
513.35382	9.1
531.37372	15.6
549.40637	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	549.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.1
55.01872	8.9
55.05503	36.5
57.03433	11.6
57.07067	11.1
65.03923	5.2
67.05171	8.0
67.05503	98.4
69.07059	35.4
71.05005	5.6
71.08614	5.5
71.59231	4.6
79.05494	53.3
81.03431	29.5
81.07054	100.0
83.04958	10.1
83.08618	27.8
84.25988	3.9
85.02899	10.5
85.06524	7.4
91.05471	48.3
93.07053	50.4
95.04972	20.6
95.08607	66.4
97.06525	8.1
97.10174	14.5
105.07027	54.9
107.08597	49.4
109.06521	9.2
109.10154	74.3
111.08089	8.0
111.11704	4.3
113.05990	4.3
117.07078	6.5
117.18685	3.9
119.08623	21.4
121.10131	28.5
123.11687	20.4
125.09647	4.6
131.08568	15.3
133.10146	60.7
135.11722	19.4
137.13237	4.3
145.10129	9.9
147.11659	12.1
149.13255	9.3
151.11215	28.2
159.11774	6.2
161.13316	5.4
163.14799	7.6
169.12291	9.0
175.11195	5.8
193.12257	23.0
211.13226	25.1
243.21010	6.5
253.14340	68.4
261.22238	28.9
265.25397	5.7
267.15906	5.4
271.15439	26.9
301.22189	4.4
313.85553	4.9
317.24777	6.4
335.25809	21.2
457.36478	7.9
513.35614	5.8
531.36804	12.7
531.39392	13.0
549.41815	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	549.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.95654	6.1
67.05493	13.4
67.67703	6.3
69.03403	7.0
69.07080	9.4
69.29421	17.9
69.29824	68.7
81.07047	14.6
83.04980	10.8
85.02910	15.0
93.07069	12.3
95.08604	30.0
105.07052	12.4
107.08609	14.4
108.57516	7.9
109.06498	10.7
109.10149	80.1
119.08589	25.7
121.10151	7.6
123.08105	11.9
127.03867	8.3
133.10121	14.0
135.11682	63.0
137.05943	11.9
137.09605	16.1
145.05084	9.6
175.14813	33.2
193.15810	35.2
207.13847	8.1
211.16925	100.0
241.04857	9.1
301.07233	36.0
301.10413	14.1
303.05103	10.1
339.55026	7.0
517.14447	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	549.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78299	4.0
55.05495	10.8
66.99709	4.3
67.05489	19.2
67.15475	4.3
69.03420	15.8
69.07047	15.3
71.04964	4.9
71.58713	7.2
73.97728	4.4
81.03401	5.1
81.07047	13.4
83.04981	5.3
83.08607	8.5
85.02889	19.4
85.06531	5.5
86.26432	5.1
91.05477	5.8
93.07005	10.7
95.08612	35.3
95.25562	5.1
97.02891	8.8
97.25307	4.8
105.06995	9.2
107.08585	20.0
109.06498	9.5
109.10158	79.8
119.08582	36.5
121.02880	6.8
121.10141	20.5
123.08040	10.5
123.11691	14.7
127.03895	6.4
133.10107	15.5
135.10695	6.9
135.11685	83.8
137.06000	10.8
137.09584	14.7
141.01898	6.7
147.04420	7.2
151.11194	9.3
151.14807	7.3
153.01746	6.8
165.05518	4.7
165.12717	7.5
167.07062	4.6
175.14790	36.6
193.15921	53.0
207.14050	5.6
211.16937	100.0
240.90179	4.6
257.12650	9.6
277.87500	5.5
286.04752	6.7
301.07147	55.6
301.10562	12.1
313.11850	11.5
314.12582	5.3
342.12216	12.2
373.13379	6.5
489.14899	6.4
517.14050	25.3
549.17200	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	549.212
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24841	4.1
55.01870	5.8
56.85428	3.9
59.88092	4.4
65.03941	20.1
67.05500	6.3
68.21470	3.9
69.03428	4.4
71.58706	7.8
79.05490	12.7
81.07064	9.9
81.82564	4.1
82.04207	5.5
85.02888	7.1
91.05488	36.5
93.07049	8.7
94.04167	5.6
95.04961	12.1
103.05482	12.1
105.07033	19.1
106.04194	5.2
107.04961	14.2
107.08598	6.0
109.06501	24.3
110.03638	9.7
111.04417	27.8
115.05402	7.9
116.98682	4.7
119.04939	23.1
119.08603	8.3
121.02943	4.5
121.06499	40.5
122.25783	3.9
123.04440	8.2
125.05975	16.0
128.06213	6.4
131.04901	12.2
131.08517	4.7
133.02832	19.6
133.06480	14.5
135.08051	5.1
137.05983	66.5
139.03889	5.6
145.06485	11.9
147.04401	15.4
147.08066	9.0
149.05969	14.8
150.54942	4.2
151.03903	7.4
151.07541	14.6
153.01834	8.4
153.05473	57.3
154.53331	4.7
159.08072	13.1
161.05995	24.4
161.09650	5.4
162.06778	4.1
163.07550	6.4
165.05429	8.6
167.03377	11.4
167.07043	99.8
172.05199	10.3
174.06825	18.4
175.07541	22.1
177.05457	10.6
179.07085	5.0
185.06081	4.7
187.07585	35.9
191.06961	10.0
191.08542	8.5
193.04950	33.3
198.06691	5.0
199.07533	12.8
203.08456	6.2
205.06552	5.2
209.08089	17.9
213.09239	6.3
216.07767	11.3
217.08551	6.9
218.07265	6.7
219.08101	13.4
221.09595	5.3
229.08574	6.0
231.08313	6.2
235.07584	6.5
235.09691	15.6
246.06737	4.5
247.07445	6.5
248.08269	7.9
249.09065	8.7
251.10683	11.9
263.06976	4.8
264.07816	19.0
265.08670	12.2
275.10898	5.3
277.08548	9.9
278.09607	4.8
279.06744	4.7
279.10172	10.1
281.11661	5.2
289.08542	6.8
291.10046	8.7
293.08154	7.1
297.46735	5.4
299.09244	21.2
300.09744	21.7
301.10666	100.0
305.08066	5.8
307.09622	48.6
308.10300	8.8
309.11154	6.4
315.12350	6.2
319.09680	7.6
321.11215	15.3
324.09949	5.4
335.12872	8.7
339.12225	56.5
340.12811	21.3
351.12222	14.2
452.92087	4.1
485.74570	4.9
489.19098	7.5
531.20178	5.9
549.20782	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	549.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.9
53.23973	4.8
56.31372	4.6
65.03928	20.0
67.18258	5.6
69.39756	21.0
69.40183	29.0
78.04713	5.1
79.05509	11.8
91.05486	35.0
93.03426	7.0
95.04953	10.8
98.20819	12.0
103.05440	14.9
105.07031	15.3
106.04150	6.0
107.04939	20.0
110.03652	13.4
111.04444	24.0
115.05448	10.3
117.07035	6.6
119.04955	35.7
121.06490	11.6
122.03614	8.4
123.04419	8.6
125.05988	15.7
128.06219	5.5
129.06879	8.9
131.04929	20.7
133.06480	9.7
134.90900	5.5
137.05980	41.2
145.06497	13.4
146.07314	6.7
147.04399	18.6
149.05980	16.9
151.03906	8.1
151.07506	18.3
153.05469	76.5
159.08069	11.1
161.05972	27.0
163.07646	6.2
167.07037	100.0
172.05193	11.8
174.06721	18.3
175.07526	34.6
177.05452	11.0
179.06972	7.3
181.05013	7.7
184.03712	8.6
185.05942	7.9
185.85498	5.8
186.06758	10.2
187.07600	42.0
190.94624	5.8
191.07030	15.3
192.35713	5.4
199.07524	15.4
204.07854	7.8
206.48398	4.9
209.08067	11.0
213.93602	5.8
216.07735	7.8
217.08600	11.9
218.07211	13.6
219.08087	17.1
227.06964	6.5
229.08572	7.8
233.06093	6.7
235.07492	7.9
236.08316	9.8
237.09224	6.3
240.07808	5.1
243.08018	6.9
247.07526	9.3
249.09096	8.2
251.10646	14.3
257.07712	6.5
259.07706	8.7
261.09024	10.7
264.07944	10.9
265.08664	12.2
276.08041	6.1
277.08511	11.8
278.09476	7.7
279.10110	14.5
284.06644	14.8
285.07181	11.3
286.07257	17.0
289.08551	8.1
291.06360	6.8
293.08102	8.7
293.11334	6.1
295.09674	10.8
299.09137	92.7
300.09473	99.1
301.09756	96.8
303.10141	6.0
306.08789	8.7
307.09592	62.0
308.10486	8.6
309.11188	11.3
319.09647	8.8
321.11066	24.9
327.12332	8.5
337.10892	6.4
339.12247	62.1
340.12955	20.8
351.12451	26.4
352.13019	7.5
368.58994	6.9
424.30878	5.4
459.92899	5.4
481.16461	7.8
501.18530	7.2
514.61359	5.6
517.18530	18.8
549.21313	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	549.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.1
57.07067	0.1
67.01865	0.1
68.99799	0.1
69.03429	0.3
70.27335	0.4
70.60573	0.1
79.01849	0.3
79.05484	0.2
79.14204	0.1
79.77924	0.1
81.03422	1.0
81.07063	0.3
85.02915	0.3
90.51957	0.1
91.05478	0.2
97.02891	0.4
99.04459	0.1
105.07046	0.1
107.01302	0.2
107.04975	0.1
109.02871	0.6
109.06548	0.2
109.10148	0.1
111.04433	0.1
117.06932	0.1
123.04423	0.3
125.02344	0.5
125.06030	0.1
127.03870	0.5
133.06439	0.1
133.10121	0.1
135.89043	0.1
137.06006	0.5
139.03864	0.3
143.03375	0.8
145.04901	0.1
147.04442	0.2
151.03891	0.1
151.07532	0.2
153.01823	12.7
153.02812	0.5
154.02209	0.1
163.03943	0.2
167.07034	0.5
167.10634	0.1
171.02869	1.1
173.06313	0.1
177.05478	0.1
179.03450	0.5
189.09102	0.2
191.07158	0.1
192.04152	0.9
193.04939	1.2
193.08569	0.3
205.02921	0.2
205.04953	8.8
206.05736	16.0
207.06369	0.6
217.08365	0.1
220.07402	0.5
226.71259	0.1
235.09637	100.0
236.09990	1.8
274.59586	0.1
297.06052	1.4
299.09494	0.1
301.06952	0.2
315.07144	0.3
413.60577	0.1
478.16226	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	549.1238
Annotation	Luteolin 3'-methyl ether 7-malonylglucoside
Peak:m/z	Relative Intensity
54.99210	0.2
55.01878	0.3
60.39976	0.2
69.74007	1.6
75.64941	0.2
85.02855	0.3
86.09662	0.2
91.05453	0.2
97.02914	0.3
98.21621	0.3
105.03376	0.5
107.04898	0.2
111.04433	0.3
124.01572	0.2
127.03964	0.3
134.03595	0.4
135.04376	0.4
139.03854	0.5
139.05434	0.3
149.48946	0.3
151.32162	0.2
152.01059	0.4
153.01825	0.4
161.02364	1.7
163.03920	0.2
167.03391	2.0
167.04915	0.7
174.06804	0.3
184.05154	1.1
185.05962	0.9
195.04445	1.0
199.07439	0.3
202.06310	0.4
212.04631	1.4
213.05475	1.0
217.08632	0.4
219.06432	0.3
223.04065	0.5
227.07068	0.5
230.05777	1.2
237.02739	0.2
240.04170	1.8
241.04955	2.4
245.08064	3.5
255.06499	1.7
256.06964	0.3
258.05219	3.6
268.03683	1.2
269.04376	0.5
273.07547	0.4
283.06021	0.9
286.04724	10.5
301.07056	100.0
302.07358	1.9
373.18365	0.6
429.83908	0.2
549.22052	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.3
60.15466	0.3
61.53794	0.3
67.05491	0.3
69.03416	0.7
69.07026	0.3
70.13313	1.5
71.04975	0.3
79.01842	0.5
79.05470	0.9
81.03397	1.0
81.07035	1.0
85.02885	0.8
91.05464	0.5
93.07029	0.5
95.08571	0.4
97.02859	0.9
97.06546	0.4
98.38089	0.2
101.12861	0.3
103.05443	0.6
105.07053	0.5
107.04952	0.6
107.08596	0.4
109.02865	1.1
109.06478	0.3
111.04464	0.2
119.08555	0.3
121.06511	0.5
123.04410	0.9
125.02341	0.5
127.03872	0.9
129.06926	0.3
131.04930	0.5
133.02827	0.4
133.06503	0.4
137.05986	1.5
139.03891	0.6
141.24275	0.3
143.03403	0.6
145.04936	0.4
145.10107	0.4
147.04420	0.6
147.11639	0.3
149.05980	0.4
151.07562	0.4
153.01828	13.7
153.05609	0.3
161.05870	0.4
163.03918	0.7
165.05511	0.4
167.07039	1.6
171.02855	1.3
175.07574	0.5
177.09288	0.3
179.03348	0.9
179.06956	0.3
181.05005	0.3
187.07605	0.6
191.06953	0.4
201.05461	0.3
201.09091	0.5
205.04968	8.7
206.05743	16.9
207.06302	0.9
217.08539	0.4
235.09647	100.0
236.10004	2.3
250.06978	0.3
297.05939	1.3
297.12283	1.1
298.13058	0.8
299.09021	0.4
301.07031	1.2
301.10580	1.1
315.06906	0.3
367.26321	0.3
467.29700	0.3
473.15637	0.3
549.21063	0.3
549.36072	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99760	0.2
69.03425	0.2
70.06583	0.3
71.58126	0.2
72.08134	0.2
80.09605	0.2
91.05466	0.3
105.03374	0.8
107.04907	0.2
111.04465	0.3
121.02845	0.1
123.04440	0.2
134.03630	0.6
135.04434	0.3
137.02368	0.2
139.03889	0.5
139.05449	0.3
149.02335	0.3
151.03848	0.2
152.01062	0.5
153.01839	0.6
157.06488	0.4
161.02322	1.8
163.03899	0.3
167.03389	2.4
167.04921	0.6
167.39861	0.2
170.10332	0.1
177.01898	0.2
184.05202	0.8
185.05930	0.8
188.04730	0.2
195.04375	0.7
196.05170	0.2
199.07590	0.3
201.05490	0.2
202.06250	0.4
212.04730	1.3
213.05447	1.0
217.08548	0.4
223.03902	0.6
227.06989	0.8
229.04912	0.5
230.05736	1.6
231.06790	0.2
240.04152	1.4
241.04941	2.4
245.08076	3.4
255.06528	1.7
257.04562	0.2
258.05255	4.0
268.03680	1.5
269.04395	0.6
273.07605	0.6
283.05899	1.1
285.03680	0.3
286.04718	10.5
301.07050	100.0
302.07321	1.1
373.18347	0.3
378.65384	0.1
549.22266	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	549.1236
Annotation	Luteolin 3'-methyl ether 7-malonylglucoside
Peak:m/z	Relative Intensity
51.28683	0.2
53.03938	0.5
55.01863	0.5
57.03436	0.5
65.03916	0.3
68.99780	0.3
69.03424	2.3
70.06592	0.8
71.04994	0.3
73.02915	0.5
73.29886	0.2
81.03413	3.2
85.02909	3.2
87.00822	1.7
90.42018	0.2
91.03932	0.3
92.02621	0.5
93.03393	1.3
97.02899	1.2
99.04451	0.9
105.01855	0.8
109.02881	2.1
110.03618	0.2
118.98612	0.2
119.11000	0.2
121.02874	1.2
123.04411	0.9
127.03061	0.3
127.03921	2.5
129.01811	0.2
137.02327	8.5
137.05913	0.4
145.04938	0.5
147.02863	0.2
149.02361	0.3
151.03899	0.6
157.06392	0.2
159.02869	1.0
161.06039	0.2
163.03947	0.3
174.59032	0.2
184.05148	0.3
185.05974	0.6
187.03893	0.6
201.05470	0.6
202.06273	0.5
203.03372	0.2
203.22090	0.2
212.04655	1.0
213.05466	2.7
229.04935	1.3
230.05736	2.7
231.04878	0.3
240.03909	0.2
241.04938	2.5
244.03667	0.6
257.04510	1.6
258.05231	5.5
268.03711	0.6
269.04428	4.0
271.02301	0.3
285.03891	0.5
286.04706	15.8
299.45023	0.2
301.07043	100.0
302.07507	1.3
315.32147	0.2
455.09662	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	549.1239
Annotation	Pratensein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
50.21578	0.4
52.45654	0.3
57.03413	0.8
61.31770	0.4
65.33844	0.4
69.03413	0.5
71.14737	0.9
79.05073	0.4
79.05479	2.8
81.07060	1.0
85.02891	0.9
88.03994	0.5
91.05467	1.4
94.06545	0.7
95.04953	1.0
96.67560	0.4
106.04285	0.4
107.04976	3.4
109.02877	0.4
109.06532	0.5
115.05452	0.5
117.06995	0.6
119.04936	0.3
120.20603	0.4
121.06490	0.5
123.04460	1.0
124.05210	0.7
127.03869	0.6
131.04884	0.5
131.08540	0.9
132.05701	0.5
136.05138	0.4
137.05986	1.7
139.03900	0.5
141.07042	0.6
144.05653	0.8
145.06497	1.0
146.06003	0.7
147.04477	0.5
151.03877	0.7
153.01762	1.0
156.05672	1.1
157.06427	0.6
159.08054	1.4
160.05165	0.5
161.05986	0.7
163.03912	0.7
163.07533	0.6
165.09048	0.6
167.07042	10.9
167.75821	0.4
173.05969	0.5
175.07549	0.8
177.05511	0.8
179.07053	0.7
181.04800	0.5
187.07533	1.5
190.06255	0.9
191.07057	0.7
195.06548	0.7
201.09108	0.6
202.06195	0.9
205.08624	3.3
207.06554	1.7
207.10052	0.5
208.05144	0.5
209.08031	1.7
217.08510	3.1
218.07277	0.5
219.08029	0.7
219.10063	0.7
226.12334	0.8
233.09575	0.5
234.06810	0.6
241.05035	0.6
241.08510	1.0
241.10730	1.3
247.07492	1.0
247.09723	1.4
248.08348	1.4
249.09097	0.9
254.05820	0.4
258.05219	13.6
260.08344	0.4
263.10760	0.5
264.07758	0.7
265.08643	0.7
267.06525	0.7
269.08115	1.0
271.09613	1.0
276.07745	0.6
277.08691	1.0
279.10059	0.9
282.08737	1.0
286.04715	31.2
291.09610	0.7
291.12268	1.5
293.07996	1.1
295.09576	0.4
299.09113	0.9
301.07050	100.0
302.07574	1.0
307.09689	1.5
308.10489	1.0
310.08337	0.6
312.96219	0.4
315.08591	3.6
319.09641	0.6
323.12628	1.2
325.10626	0.5
329.10226	1.1
330.10995	1.3
331.11850	0.7
336.10028	0.8
337.10764	0.8
339.12219	0.7
343.11731	0.7
351.12378	2.3
353.10147	0.7
355.11703	0.6
367.11533	0.7
368.12564	0.9
368.28119	0.7
369.13016	0.5
371.14795	1.0
373.12671	1.1
374.14999	0.9
382.14133	0.9
383.15033	2.6
397.16028	0.5
401.15704	1.0
404.14792	0.9
445.18857	0.5
456.17957	0.5
457.18451	2.2
463.12283	1.5
475.19647	2.6
478.18085	3.4
491.18674	0.7
531.21942	1.7
548.34814	5.6
549.12427	1.6
549.22632	1.7
549.35223	2.5
561.00311	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.9
54.58416	1.5
55.01880	5.2
55.05510	33.8
57.03436	10.5
57.07076	4.2
65.03957	4.2
67.05505	95.1
69.03430	3.2
69.07071	25.8
69.72977	7.0
69.73406	5.8
71.04995	9.1
71.08643	4.6
79.05494	51.7
81.03419	49.2
81.07057	100.0
83.04978	10.8
83.08618	29.1
85.02906	24.7
85.06554	3.3
86.31181	1.7
91.05479	44.3
91.06003	2.5
93.07047	40.9
95.04966	26.7
95.08603	61.1
97.06567	4.9
97.10185	8.9
99.08128	1.6
105.07031	32.8
105.07690	3.0
107.05000	5.6
107.08597	19.8
109.06542	3.8
109.10149	25.6
111.08092	9.9
113.06021	3.2
117.07066	5.2
119.08578	26.4
119.09351	2.0
121.06543	3.5
121.10149	18.5
121.10951	2.2
123.04468	2.2
123.08111	2.1
123.11699	9.1
125.09670	4.4
129.07005	9.0
131.08557	15.0
133.06514	2.8
133.10126	19.4
133.10909	1.6
135.08148	1.7
135.11697	9.6
137.09668	3.1
137.13292	3.5
142.07808	2.8
143.08618	2.8
145.10136	8.9
147.08070	2.2
147.11713	14.9
149.09688	4.1
149.13307	5.0
153.12833	2.2
157.10136	11.0
159.11731	2.6
161.13336	6.0
163.11246	4.3
163.14793	3.8
165.12726	3.4
173.13388	1.8
175.11163	13.1
175.14897	3.6
177.12755	2.0
189.11316	2.1
193.12262	41.1
193.13838	2.6
211.13287	47.2
227.12698	2.3
263.23785	6.0
267.16083	7.5
285.98886	1.7
317.24969	2.3
337.27582	7.2
410.06604	1.7
455.35471	4.0
473.36423	2.5
529.38812	16.8
547.40198	73.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	6.1
55.05513	37.0
57.03442	11.8
57.07069	7.7
67.05506	100.0
69.07073	27.6
69.89050	20.7
71.08636	4.4
79.05495	50.7
81.03418	7.1
81.07059	98.8
83.04980	6.4
83.08609	19.4
85.06559	4.8
91.05483	38.3
93.07051	63.1
94.07310	3.5
95.04967	16.9
95.08607	58.3
97.06517	12.2
97.10185	6.0
98.20835	6.6
105.07026	40.4
107.08609	39.1
109.10158	36.2
111.08061	6.6
111.11687	5.0
114.66955	4.4
117.07011	9.5
119.08561	29.9
121.10165	22.0
123.11760	10.6
125.09647	3.9
129.07027	7.5
131.08542	22.3
132.38573	4.1
133.10127	23.4
135.11760	21.1
141.04526	3.6
143.08568	5.7
145.10112	14.4
147.11691	19.4
149.13280	12.6
157.10182	7.0
159.11696	12.0
161.13235	6.5
163.14781	6.4
165.12634	4.1
169.10211	4.2
171.11705	6.0
173.13304	8.9
174.45503	4.1
177.12831	6.6
189.11298	3.9
193.12268	5.9
195.13895	4.8
261.22214	12.9
267.16052	7.0
269.17493	16.1
317.24622	4.0
335.25610	8.7
437.33942	9.4
452.81219	4.2
455.35037	6.6
473.36038	7.8
483.25394	4.7
511.37357	4.2
529.38757	43.6
547.36389	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	547.363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.4
55.01880	8.8
55.05513	17.3
57.03451	9.9
57.07076	2.7
64.10649	1.9
65.03915	2.9
66.68612	1.8
67.05509	68.6
68.14397	2.0
69.03434	4.0
69.07076	20.9
69.76585	1.8
69.83724	12.5
70.28030	2.0
71.04988	7.0
79.05498	41.1
81.03430	3.4
81.06580	3.8
81.07059	74.5
83.04991	6.5
83.08621	6.7
85.06544	7.4
91.05485	70.1
93.07046	46.4
94.20905	1.8
95.04967	12.4
95.08604	21.3
97.06521	8.6
97.10184	2.5
99.04490	2.4
99.08105	2.4
105.07035	73.4
107.08601	54.0
109.06520	7.5
109.10159	63.0
111.08086	3.5
111.66220	2.1
117.07028	11.7
119.08593	46.1
121.10154	16.5
123.08077	4.2
123.11706	11.2
127.07555	4.3
129.07016	7.2
131.08557	18.4
133.10135	100.0
135.11705	16.2
137.09589	2.4
143.08569	8.1
145.10127	15.9
147.11681	35.4
147.12787	2.6
149.09599	2.1
149.13286	6.4
151.11176	41.5
157.10121	7.4
159.11684	12.5
161.13281	27.5
169.12247	7.8
171.11723	8.3
171.13336	2.0
173.13266	7.6
175.14822	14.1
185.13310	9.2
187.14990	2.7
199.14914	3.7
213.07237	2.4
215.12640	2.6
217.19576	3.1
231.21106	6.3
241.19551	28.6
253.14377	62.1
259.20578	52.1
271.15460	43.5
277.21725	5.5
291.04660	2.1
315.23181	5.6
333.24185	30.5
437.30151	2.7
511.34476	4.9
529.35059	15.4
547.39197	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	547.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19545	0.3
59.39048	0.3
60.31351	0.3
62.55299	0.3
69.03414	0.4
69.39061	2.1
69.39476	1.0
79.05490	0.4
81.07071	0.6
85.02898	0.7
91.05479	0.9
93.07076	0.3
95.05000	0.4
97.02901	0.4
105.07050	0.4
107.04941	2.0
116.38606	0.3
119.04936	0.5
121.06484	0.4
123.04422	0.5
125.05968	0.3
129.01842	0.3
129.06972	0.3
131.04930	0.5
133.06497	0.8
135.08026	1.1
137.05998	1.5
138.10733	0.3
139.03932	0.6
145.06528	0.5
147.04469	1.0
148.05199	0.8
151.07541	0.7
159.08058	0.8
161.06036	1.2
163.03917	1.0
163.07582	1.6
167.07016	0.8
172.05284	0.4
175.07404	0.4
178.06244	1.7
185.05925	0.7
187.07564	1.3
193.08646	1.0
202.06236	0.7
203.05263	4.0
203.06921	0.6
214.06291	0.7
229.08592	0.7
238.06195	0.5
239.07057	0.4
266.05823	0.6
269.08154	0.4
283.06140	1.0
284.06845	1.9
285.07626	0.7
299.09152	10.7
299.12497	0.6
300.09763	1.1
319.25006	0.4
329.14023	0.4
341.13901	1.8
367.28174	14.4
383.14883	0.6
385.28867	0.7
407.14822	0.6
547.34515	100.0
548.35034	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	547.363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	2.6
55.01859	7.9
55.04169	2.3
55.05512	25.7
57.03427	8.7
57.07065	4.3
65.03925	7.4
67.05503	74.0
69.07074	23.4
69.39869	2.6
69.88148	16.0
71.04989	7.9
79.05495	48.0
80.00829	2.5
81.03403	7.4
81.07060	66.1
83.04978	11.2
83.08614	12.1
85.06530	9.6
91.05479	71.5
93.07045	48.5
95.04966	8.1
95.08615	22.9
97.06518	8.3
97.10117	5.3
99.04471	4.6
101.05926	2.7
105.07031	81.6
105.52257	2.5
107.08594	54.3
109.06541	6.6
109.10161	71.2
109.57047	2.8
113.06001	4.8
117.07023	12.2
119.08587	40.8
121.10155	11.2
123.11689	11.6
129.07013	8.7
131.08543	17.0
133.10132	100.0
134.10452	3.3
135.11694	13.7
143.08592	7.0
143.12325	3.2
145.10127	17.7
147.11697	27.7
149.09547	2.9
149.13254	8.6
151.11180	42.4
157.10155	3.8
159.11716	10.2
160.84210	2.9
161.09674	3.4
161.13231	18.3
169.10068	3.5
169.12273	11.0
171.11742	6.8
173.13268	8.3
175.14900	14.3
185.13243	7.8
187.14828	3.0
199.14856	5.1
215.12741	5.6
215.17961	3.2
231.21149	3.9
241.19492	20.5
253.14323	57.8
257.18939	3.7
259.20612	49.2
271.15402	43.3
271.18140	4.3
275.20105	5.0
277.21674	7.5
301.14487	4.5
333.24219	19.7
351.25177	4.6
419.29425	4.0
433.95911	3.0
455.32294	3.6
502.57199	3.2
506.53326	3.0
511.34366	7.7
529.34674	13.0
547.36694	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	547.2148
Annotation	Phe Glu His Asp
Peak:m/z	Relative Intensity
69.03420	0.7
70.06577	1.6
71.58744	1.0
73.27517	0.6
80.64178	0.6
85.02899	1.1
86.09727	0.8
111.12995	0.7
121.06520	1.0
147.01123	0.6
147.04442	0.7
149.09615	0.6
157.69371	0.7
159.04218	3.2
165.12718	0.8
167.07085	0.6
183.07422	0.7
185.04404	0.8
209.15376	3.4
283.05652	0.8
299.09180	4.5
311.05524	0.8
347.19952	0.6
385.12140	1.2
385.16391	2.0
509.80905	0.6
547.21509	100.0
548.21692	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
68.06960	0.2
71.19010	0.4
71.19389	0.4
85.02892	0.2
97.02890	0.3
107.04922	1.1
109.02864	0.2
123.04474	0.3
133.02832	0.9
134.03606	0.9
135.04402	0.8
146.03568	0.3
147.04414	3.5
150.03127	0.2
160.05145	0.2
162.03122	0.6
163.03716	0.2
165.05486	0.4
165.45187	0.2
168.05684	0.3
169.06429	0.2
171.04289	0.3
175.79173	0.2
177.05470	1.2
181.06493	0.5
182.07213	0.4
184.05284	1.0
185.05954	0.9
189.93257	0.2
196.05249	1.4
197.05972	0.8
199.07524	0.4
200.04716	0.3
209.01115	0.2
209.05956	0.6
210.04755	0.3
210.06750	3.8
211.07564	0.3
213.05420	1.5
214.06259	0.7
215.07088	0.3
220.05130	0.5
221.06001	2.1
225.05542	0.3
226.06364	0.2
227.07066	0.6
237.05463	3.0
238.06227	9.7
239.06979	1.6
241.04988	3.5
242.05663	0.3
249.05466	3.1
253.05013	0.3
255.06581	1.9
256.07321	0.6
265.04944	2.5
266.05728	12.5
267.06534	4.1
269.04443	5.1
269.07196	0.4
271.06174	0.3
283.06018	10.0
284.06781	16.8
287.05682	0.2
299.09125	100.0
300.09543	1.3
385.12973	1.0
507.24481	0.2
527.54877	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	547.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71513	0.1
68.99795	0.2
70.83100	0.3
98.21461	0.2
107.04963	0.2
111.04468	0.1
119.04926	0.3
121.06467	0.2
124.01577	0.2
128.07402	0.1
130.68225	0.1
132.05687	0.8
133.06473	0.4
135.04387	0.3
137.05962	0.5
150.63535	0.1
152.01073	0.2
157.06517	0.2
167.03389	0.4
168.05731	0.3
169.01328	0.2
172.08824	0.2
182.07242	0.6
183.08134	0.9
184.03682	2.7
184.05229	0.3
185.05989	0.3
196.05211	0.6
197.05904	0.8
199.07512	0.2
200.08287	0.2
210.06726	0.7
211.07556	1.8
212.08206	0.2
213.05455	0.6
224.04688	0.3
225.05450	0.5
227.06985	1.4
228.07785	1.0
239.07013	3.0
240.07619	0.2
241.04965	1.0
243.10149	3.9
255.06621	0.7
256.07291	7.4
267.06555	1.0
268.07379	0.2
269.04465	0.4
271.09619	0.2
283.06024	1.6
284.06790	16.1
285.07031	0.3
299.09128	100.0
300.09485	1.5
396.72238	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	547.1443
Annotation	Afrormosin 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.17120	0.3
57.01865	0.3
57.43842	0.4
58.57473	0.3
63.03164	0.3
63.99099	0.3
64.30519	0.3
69.03416	0.5
69.46886	0.5
69.47291	2.4
72.54831	0.3
81.03429	0.6
81.07032	0.4
87.02620	0.3
88.67097	0.3
91.05471	0.3
97.02879	0.9
98.20734	0.4
99.04447	0.3
107.04954	1.8
109.06512	0.3
117.06980	0.4
121.06527	0.6
123.04379	0.5
133.02859	1.3
134.03644	2.5
135.04384	1.0
137.02399	0.3
137.05951	0.6
145.06412	0.5
145.10158	0.4
146.03539	0.4
147.04428	3.7
161.06003	0.3
162.03177	0.6
165.06874	0.5
167.07111	0.5
168.05632	0.7
177.05392	1.7
179.95222	0.3
181.06471	1.0
182.07256	0.7
183.08189	0.3
184.05153	0.5
185.06009	0.8
187.07555	0.4
193.04758	0.3
196.05185	3.6
197.05902	0.7
201.05338	0.3
201.09097	0.3
202.09456	0.4
209.05994	0.6
210.06766	6.0
211.07527	0.9
213.05426	1.2
214.06274	0.3
221.06035	1.0
225.05560	0.3
227.06975	0.4
237.05510	2.0
238.06252	16.3
239.06938	1.2
241.04984	2.0
249.05518	1.3
253.05017	0.7
255.06529	2.7
256.07224	0.5
265.04880	1.6
266.05743	10.7
267.06470	2.6
268.07263	0.4
269.04449	2.6
280.64529	0.3
283.06021	7.8
284.06784	14.0
287.05548	1.6
299.09128	100.0
300.09402	1.6
311.05368	0.7
361.02338	0.4
385.12674	3.3
547.21198	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1446
Annotation	Afrormosin 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
70.63057	1.5
75.58224	0.5
98.20776	0.5
117.76656	0.4
131.87836	0.5
132.05702	0.6
137.06041	0.5
142.05338	0.5
183.08109	1.1
184.03670	2.0
211.07510	1.6
227.07048	1.3
228.07840	0.9
239.06972	3.0
243.10117	3.8
256.07339	7.3
267.06537	1.0
274.26987	0.5
283.06049	2.2
284.06790	16.5
289.72449	0.6
299.09140	100.0
300.09561	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60770	0.1
51.99557	0.1
52.19592	0.1
71.58662	0.2
73.32676	0.2
79.05453	0.2
81.03383	0.2
81.07004	0.1
85.02882	0.2
91.77767	0.1
97.02872	0.2
105.06973	0.6
105.58733	0.1
107.04984	0.3
109.02850	0.1
118.04132	0.2
121.06467	0.3
123.00765	0.4
127.03880	0.1
131.04868	0.2
132.05634	0.3
133.06436	0.6
134.07224	0.3
137.02292	0.4
137.05916	0.4
139.54198	0.1
145.85031	0.1
147.04346	0.2
151.00195	0.2
151.03883	0.3
152.01030	0.9
153.01791	0.4
157.06433	0.2
161.05983	1.2
165.06943	0.1
167.03380	0.2
167.06982	0.2
168.05650	0.4
169.01305	0.4
170.02138	0.8
172.08664	0.1
182.07271	0.5
183.08069	1.0
184.02156	0.1
184.03589	0.8
185.05988	0.4
186.86414	0.2
196.05161	0.3
197.05965	0.4
199.07489	0.2
210.06664	0.5
211.07550	1.5
213.05411	1.0
224.04649	0.2
225.05513	0.2
227.06940	0.9
228.07809	0.5
238.06142	0.2
239.07019	2.1
241.04997	1.2
243.08022	0.2
243.10188	1.9
252.04137	0.2
253.04999	0.7
255.06506	1.0
256.07312	4.0
267.06381	0.4
269.04510	0.8
283.05988	0.5
284.06775	42.1
285.07117	0.3
299.09122	100.0
300.09491	0.9
319.09698	0.2
323.12622	0.2
351.12115	0.3
366.17758	0.1
461.14307	0.8
547.13983	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.7
55.01869	3.9
55.05500	2.7
57.03437	9.2
61.02913	4.0
67.05518	2.0
68.99777	2.5
69.03438	18.4
70.06597	3.7
71.04993	58.3
71.58611	3.0
73.02914	5.1
75.04491	5.1
81.03414	14.5
83.04994	10.7
85.02907	100.0
86.09698	3.0
87.00833	12.3
87.04449	2.5
95.04999	2.8
97.02885	16.1
99.04465	6.9
103.03947	5.2
105.01859	16.2
107.04951	4.1
109.02897	17.6
111.04441	14.0
116.98625	2.1
123.04473	1.6
127.03920	30.3
129.01872	1.7
129.05464	21.3
139.03911	4.4
144.55656	1.7
145.04965	11.9
147.02898	2.6
147.06526	7.9
153.05502	2.2
159.02885	4.4
164.09206	8.3
173.04611	2.3
189.03951	7.8
201.09132	1.8
213.03989	1.9
231.05000	6.0
237.07578	3.4
255.08728	4.4
273.06073	3.1
299.09143	4.7
341.08975	3.8
359.09695	2.3
546.33185	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	546.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.0
55.05514	22.8
57.03432	5.9
65.03907	4.6
65.38354	3.8
67.05170	6.8
67.05505	83.9
69.07081	22.4
69.95093	12.0
69.95509	10.1
75.04527	4.6
79.05489	57.7
81.03434	5.4
81.07059	80.1
83.08620	16.1
85.02914	7.8
91.05486	33.4
93.07043	63.6
94.07382	8.3
95.01374	5.6
95.04957	5.7
95.08604	66.4
97.10172	13.0
98.21349	6.4
99.08069	7.0
105.04463	4.4
105.07055	22.7
107.08589	51.2
109.10152	45.0
111.08076	5.2
117.07027	13.4
119.08601	24.1
121.10136	39.7
122.10466	5.0
123.11686	18.4
131.08560	28.1
133.10143	20.4
135.11710	30.5
137.13228	6.4
141.01787	6.6
145.10136	18.2
145.71167	4.3
147.11685	16.5
149.13275	19.8
159.11708	18.3
161.13269	12.1
163.11147	4.7
163.14832	8.6
173.13266	15.6
177.16454	7.8
187.14842	11.4
201.16360	5.1
206.82527	4.3
243.21031	37.3
251.25212	4.7
259.20758	4.7
261.22144	100.0
335.25742	14.1
353.26938	16.1
454.34116	7.0
528.37323	12.0
546.39111	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	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11130	5.1
55.01875	6.4
55.05497	22.0
57.07061	5.7
65.03922	6.4
67.05505	67.1
69.07062	18.3
71.04993	8.6
71.08625	24.2
71.49973	11.2
79.05489	47.4
81.07063	87.6
83.04952	8.3
83.08640	10.6
91.05481	33.9
93.07041	71.1
95.04968	12.4
95.06654	4.8
95.08607	33.5
97.06528	11.9
99.08088	23.0
105.07039	19.8
107.08610	41.2
109.06517	5.0
109.10180	7.2
111.08081	7.0
111.72426	5.5
119.08583	17.2
121.10156	23.4
131.08531	7.2
133.10132	13.2
135.11707	30.4
149.13245	20.1
151.11230	11.1
152.31522	5.8
159.11604	7.9
161.13188	9.9
163.11119	8.5
177.12689	6.6
179.14325	100.0
195.13898	10.4
225.35324	5.6
235.16882	7.6
250.48148	6.6
274.33130	5.8
277.21677	73.6
545.38385	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	545.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76699	2.7
53.03937	6.2
55.01867	6.7
55.05512	43.7
57.03422	11.3
57.07073	3.6
65.03929	5.9
67.05503	92.7
69.03423	3.3
69.07072	27.6
69.34096	31.9
71.04983	7.8
77.03889	3.1
79.05059	4.4
79.05495	64.5
80.61884	2.7
81.03411	26.3
81.06583	5.2
81.07055	100.0
83.04962	10.7
83.08620	26.0
85.02907	3.7
85.06516	5.9
91.05483	54.5
93.07042	65.7
95.04965	21.8
95.08049	4.4
95.08611	54.3
97.06518	12.8
97.10168	21.3
100.72000	2.9
105.07025	56.0
107.04922	4.6
107.08592	38.9
109.06502	9.6
109.10163	28.5
110.72929	3.0
111.08061	6.6
115.05403	3.4
117.06995	21.1
119.08588	45.4
121.06511	7.7
121.10129	25.9
123.08038	5.4
123.11683	11.4
125.09641	13.5
128.06157	3.0
129.07005	14.5
131.08577	37.0
133.06479	6.1
133.10129	28.5
135.08018	8.7
135.11710	17.5
137.09595	3.4
141.06931	3.3
143.08563	17.1
145.10132	29.2
147.08063	4.7
147.11687	25.4
149.09630	4.3
149.13264	9.7
151.11140	3.1
155.08505	5.9
157.10172	21.2
159.11681	32.1
161.09560	5.2
161.13246	10.0
163.11150	3.9
163.14757	3.3
169.10109	6.9
171.11685	13.5
173.13231	17.2
175.11159	6.6
175.14856	6.0
177.12669	4.4
183.11700	8.3
185.13225	9.0
187.14815	7.2
189.11241	13.1
189.12779	3.2
193.12181	11.6
197.13292	5.4
199.14798	7.0
201.16409	3.4
204.75095	3.0
209.13159	3.0
211.13177	4.5
211.14923	5.9
213.16447	4.7
227.12730	7.1
233.14828	3.0
241.19511	4.7
241.37109	3.6
243.21004	3.4
259.20581	9.2
261.22229	7.7
267.15878	16.9
269.17554	4.4
277.21460	4.0
285.22156	6.2
299.23828	4.7
301.25235	20.8
311.23279	3.5
333.24106	5.7
335.25784	10.0
338.01965	3.0
361.23712	2.9
425.33954	8.0
435.32535	19.3
453.33850	13.6
471.34534	18.0
509.36215	6.2
516.77637	3.3
517.38867	9.3
527.30353	3.2
527.37402	60.6
528.37488	4.3
545.38300	89.8
546.38568	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	545.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.6
55.01865	6.4
55.05508	43.2
57.03429	9.4
67.05502	83.3
69.03424	6.3
69.07062	17.7
69.82015	8.1
69.82430	8.2
71.04993	5.1
79.05495	46.6
81.03410	34.3
81.06582	4.8
81.07050	70.5
83.04964	9.0
83.08614	23.9
91.05479	44.3
93.07037	44.6
95.04948	26.3
95.08601	51.4
97.06525	6.4
97.10180	27.9
99.08116	3.5
105.07024	42.8
107.04951	11.0
107.08600	39.0
109.06516	7.9
109.10151	26.8
111.08090	6.9
117.07039	16.8
119.08585	31.0
121.06509	8.2
121.10145	19.3
123.08102	6.4
123.11736	10.6
125.09678	19.9
128.06233	2.8
129.07007	10.7
131.08534	29.2
133.10150	21.4
135.08044	9.8
135.11703	12.5
137.13312	3.3
143.08575	8.4
145.06497	5.3
145.10130	22.8
147.08032	3.6
147.11694	15.2
149.09647	4.3
149.13245	7.3
155.08594	5.7
157.10161	11.4
159.11696	13.9
161.09627	5.0
161.13275	10.8
163.14853	3.7
169.10170	5.1
171.10283	2.9
171.11710	8.8
171.99341	2.7
173.13263	9.2
175.11168	5.2
175.14851	7.6
183.11705	5.0
185.13313	6.2
187.11214	4.0
187.14767	4.8
189.11241	12.3
193.12222	12.0
197.13298	4.0
199.14763	4.1
201.16368	3.2
211.13286	4.3
227.12695	13.3
261.22186	12.7
267.15875	23.5
273.18542	3.1
279.23227	2.7
285.22247	5.5
287.20151	3.6
297.32861	2.6
299.23312	3.2
301.25235	27.7
335.25793	14.3
339.13708	2.9
421.25974	4.5
435.32767	8.0
453.33728	18.7
471.34897	13.4
509.36288	5.6
527.37238	57.5
537.43103	2.7
545.38336	100.0
546.38586	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	545.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	3.0
53.01258	2.8
53.03930	7.5
55.01862	6.2
55.05511	35.1
57.03441	13.1
57.03667	2.4
65.03938	3.8
67.05506	75.2
69.03422	4.8
69.07081	18.3
69.61401	2.5
70.75755	5.2
70.76125	5.1
71.04976	8.2
74.08730	2.4
79.05492	65.7
80.05853	2.8
81.03419	51.3
81.07060	61.2
83.04984	13.6
83.08616	24.5
83.23236	2.7
85.02907	21.8
85.06526	2.7
91.05479	51.2
93.07048	67.7
95.04969	35.2
95.08608	46.3
97.02932	3.0
97.06557	6.1
97.10166	9.6
99.08067	3.0
105.07032	35.7
107.04958	4.8
107.08591	34.6
109.06563	5.4
109.10143	16.7
111.08064	11.7
113.05958	3.3
115.05442	3.6
117.06977	15.0
119.08570	32.3
121.10143	30.8
121.10939	3.8
123.08061	4.7
123.11749	5.5
125.09628	7.6
129.06984	12.6
131.08557	24.4
133.10126	18.6
135.11696	17.0
143.08482	5.6
145.10130	18.6
147.08064	5.6
147.11708	19.2
149.09659	5.9
149.13290	5.8
157.10158	11.7
159.11763	6.0
161.13226	7.2
162.80843	2.6
163.11253	3.0
165.12816	3.6
171.11679	4.4
173.13260	9.0
175.11182	15.4
175.14833	4.7
183.11673	3.0
185.13277	4.5
187.14882	3.5
189.11230	5.4
193.12241	55.7
193.13887	4.6
197.13246	2.8
211.13289	53.2
216.82668	2.7
227.12805	8.5
243.21091	3.8
261.22174	10.4
267.15973	10.6
285.22137	4.8
301.25348	5.8
303.23309	3.5
335.25626	6.1
417.31415	3.3
435.32996	4.8
453.33804	10.5
471.34760	9.5
509.36163	3.8
527.37384	26.9
545.38354	100.0
545.46674	5.3
546.39111	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	545.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.7
55.01875	4.0
55.05302	2.6
55.05514	29.1
57.03430	9.9
57.07083	2.7
59.04989	2.5
65.03941	6.1
67.05506	67.9
69.03429	4.0
69.07073	20.6
70.72414	8.0
71.04993	7.6
78.08442	2.0
79.05496	77.2
81.03424	44.1
81.07059	69.3
83.04974	8.6
83.08633	24.9
85.02892	22.9
91.05486	52.3
93.07047	68.7
95.04968	30.7
95.08611	43.3
95.09171	4.5
97.06539	10.8
97.10160	7.9
99.08118	2.4
105.07031	39.7
105.07690	4.0
107.04949	6.2
107.08591	29.8
109.06549	6.3
109.10142	15.5
111.08097	8.8
113.06086	2.3
117.07021	12.0
119.08585	30.3
121.06506	3.1
121.10149	27.1
123.08041	3.4
123.11670	5.4
125.09636	6.2
129.06979	11.4
131.08569	21.8
133.10138	25.0
135.08043	2.7
135.11691	14.4
143.08600	3.9
145.10123	13.5
147.08055	3.0
147.11653	16.6
149.09666	6.3
149.13225	3.1
157.10136	11.9
159.11719	7.3
161.13264	5.1
163.14853	3.2
165.12766	3.8
169.10226	2.8
171.11781	3.4
173.13330	6.1
175.11183	15.2
185.48387	2.1
187.14845	2.8
189.11307	2.8
193.12257	48.3
193.13866	3.8
211.13304	52.4
227.12889	4.8
261.22147	8.8
267.16022	6.8
275.29263	2.7
301.25266	3.5
335.25879	3.8
435.32748	5.0
453.33795	3.4
471.35251	2.4
527.37213	16.2
545.38385	100.0
555.07855	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.1
55.01870	6.1
55.05513	39.7
56.05767	2.6
57.03442	10.8
57.07072	5.3
65.03934	3.8
67.05507	71.2
69.03419	4.0
69.07073	22.4
71.04989	8.1
79.05491	58.0
80.32322	2.0
81.03419	30.0
81.07057	70.4
83.04984	8.8
83.08615	22.3
85.02905	10.1
85.06538	3.6
91.04913	2.4
91.05481	52.0
91.06016	4.1
93.07042	52.6
95.04971	25.8
95.08611	43.0
97.06525	9.2
97.10152	21.3
105.07042	41.6
107.04977	7.2
107.08596	33.1
109.06515	5.9
109.10163	30.7
111.08084	8.6
117.07018	17.6
119.08575	38.6
119.09352	3.0
121.06529	5.5
121.10149	26.1
123.08057	5.3
123.11735	7.8
125.09655	16.8
128.06241	2.3
129.07019	12.9
131.08582	21.0
133.06537	2.5
133.10143	28.3
135.08060	6.2
135.11719	14.3
135.76294	2.3
137.09607	3.0
137.13208	2.1
143.08580	10.0
145.10123	21.9
146.83762	2.0
147.08073	3.8
147.11699	15.7
149.09653	5.6
149.13268	6.3
155.08537	4.6
157.10101	11.2
159.11661	12.3
161.09677	2.7
161.13281	6.6
163.14886	3.2
167.08659	2.3
169.10112	4.9
171.11728	6.4
173.09575	2.5
173.13300	10.4
175.11273	7.6
175.14876	6.6
185.13284	6.1
187.14868	5.2
189.11244	9.5
191.14342	2.5
193.12234	24.1
195.11729	3.5
197.13304	5.1
201.16386	4.3
211.13243	13.8
227.12798	9.2
241.18076	2.8
243.21077	3.9
259.20593	4.0
261.22192	9.6
267.15881	16.3
277.21613	3.1
301.25238	17.5
335.25940	13.1
403.24588	2.6
435.32654	9.1
453.33746	14.5
471.34821	14.2
509.36163	4.5
527.37384	49.1
545.38342	100.0
546.38623	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	545.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.8
55.01875	4.1
55.05509	36.2
57.03173	2.5
57.03432	12.9
57.07072	2.9
58.27994	2.5
58.32391	2.5
62.06744	2.6
62.66016	2.6
62.74263	2.5
64.67934	2.4
65.03931	5.5
67.05505	82.8
69.03407	5.2
69.07067	20.4
70.65131	3.1
70.65479	11.3
71.04993	6.1
79.05063	5.3
79.05495	78.4
80.82539	2.6
81.03416	47.8
81.07051	83.3
83.04959	14.2
83.08627	32.3
85.02901	26.8
85.06567	4.9
91.05477	65.2
91.33562	2.9
93.07044	72.5
95.04958	31.2
95.08609	54.5
97.06532	7.2
97.10162	13.4
98.13707	2.6
105.07029	42.0
107.04948	9.2
107.08604	31.0
109.06566	5.5
109.10165	21.7
110.82749	2.8
111.08086	11.2
113.06009	3.6
117.07053	13.0
119.08584	40.8
121.10137	34.1
123.08103	2.9
123.11689	6.8
125.09633	9.9
129.06999	11.3
131.08566	32.2
133.10104	20.4
135.08101	4.4
135.11697	15.3
136.94238	3.0
139.11099	3.8
143.08556	6.4
145.10153	14.3
147.11697	25.0
149.09657	7.0
149.13284	7.4
155.08560	3.2
157.10107	17.1
159.11719	8.3
161.13310	6.1
163.11224	3.0
163.14879	4.5
165.12804	4.5
167.72708	2.7
169.10190	6.5
171.11690	5.5
173.13286	10.1
175.11223	11.5
175.14917	4.0
183.11726	5.8
187.14891	4.8
189.16348	3.4
193.12230	44.8
193.13853	3.3
197.13322	4.7
208.30421	3.0
211.13290	49.6
259.20718	3.4
261.19415	2.7
261.22177	11.8
267.15826	6.5
285.22339	4.7
288.04770	2.9
301.25323	9.0
335.25943	5.1
383.90610	3.0
435.32819	4.5
446.80353	3.1
453.33444	6.7
471.34592	6.3
527.37250	30.0
545.38354	100.0
546.38391	3.6
559.52466	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	545.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.9
55.05512	24.4
57.03432	5.2
57.07073	3.8
59.40096	1.6
65.03943	3.4
67.05505	66.0
69.07065	22.6
69.45228	17.0
71.04993	4.2
71.08611	2.4
79.05494	50.0
81.03406	5.2
81.07058	100.0
83.04985	7.6
83.08628	9.7
85.06547	3.9
89.32229	1.6
91.05483	49.6
93.07040	52.6
95.04985	11.6
95.08049	3.1
95.08607	37.0
95.09167	2.8
96.64078	1.8
97.06549	5.1
97.10188	5.8
98.20777	3.9
99.08096	6.1
101.05999	2.3
105.07031	39.7
107.08603	33.2
109.06541	6.4
109.10163	15.2
111.08057	3.2
117.06986	9.4
119.08581	31.9
120.76114	1.8
121.10145	26.3
121.10949	3.1
123.08065	3.6
123.11720	19.6
129.07091	4.4
131.08575	14.0
133.10152	14.7
135.08047	2.6
135.11688	14.2
143.08556	3.4
145.10121	10.9
147.11693	50.2
149.09683	2.1
149.13260	8.1
151.11206	2.8
157.10152	4.0
159.11705	9.5
161.13258	4.6
163.14825	3.0
165.12761	23.3
171.11746	3.0
173.13300	5.7
175.11185	2.6
179.14282	2.5
189.11235	2.6
193.12244	2.8
211.13268	2.0
229.14441	2.2
261.22119	12.3
265.26764	1.9
267.15900	34.1
277.21582	7.4
301.25235	2.8
317.24695	2.5
421.25699	2.1
425.33633	2.1
453.33905	4.6
471.34869	3.0
492.23257	2.2
527.37183	12.6
545.38434	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22455	0.4
57.03432	0.4
60.36005	0.4
62.07457	0.4
67.05514	0.4
69.03426	0.4
69.07047	0.7
79.05502	0.8
81.07035	0.6
84.08148	0.4
85.02926	0.4
88.79448	0.4
90.32558	0.3
93.07045	0.5
95.04941	0.5
97.02865	0.5
105.07015	1.0
106.02769	0.5
115.05434	0.4
119.08604	0.4
121.10072	0.4
123.04395	0.5
139.03935	0.6
147.04375	0.5
167.07002	0.4
203.05264	4.0
215.10645	0.4
222.48123	0.4
225.13730	0.4
262.37695	0.4
346.59399	0.4
365.26605	12.0
383.27493	0.9
515.32159	0.5
545.32965	100.0
546.33362	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	545.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03596	2.9
52.98841	2.3
53.03931	3.4
55.01860	7.7
55.05511	38.8
57.03425	9.0
59.04982	2.6
64.44910	2.0
65.03924	4.6
67.05506	76.6
69.03424	7.4
69.07072	25.8
70.20189	12.0
71.04974	5.3
79.05492	57.5
81.03413	20.0
81.07056	73.9
83.04981	9.0
83.08612	23.7
85.06538	4.0
88.44557	2.6
91.05476	44.9
93.07047	45.8
95.04971	30.7
95.08606	44.8
97.06568	4.1
97.10184	22.2
105.07033	42.0
107.04961	7.8
107.08600	31.3
109.06525	6.6
109.10165	32.7
111.08138	6.0
117.07034	18.7
119.08591	32.1
121.06501	8.1
121.10138	18.5
123.08096	3.5
123.11712	7.1
125.09639	18.3
129.06960	11.0
130.30328	2.2
131.08563	31.2
133.06493	4.7
133.10118	20.5
135.08063	7.7
135.11673	14.5
137.09639	3.4
137.13235	2.5
143.08571	9.8
145.06470	2.8
145.10109	18.4
147.08032	4.4
147.11690	15.7
149.09622	5.8
149.13268	8.5
150.03639	3.0
153.88898	2.6
155.08537	5.1
157.10133	12.8
159.08087	2.3
159.11662	17.3
161.09679	2.7
161.13232	8.1
163.11176	4.8
163.14886	3.4
167.08553	3.2
169.10191	3.5
171.11722	6.2
173.09631	3.7
173.11888	3.2
173.13162	10.9
175.11249	4.6
175.14885	5.4
183.11716	5.6
185.13214	6.1
187.14877	4.8
189.11243	13.8
193.12273	9.6
195.11824	2.7
197.13219	3.2
199.14830	3.9
201.16420	4.0
209.15665	2.1
227.12823	19.3
233.15396	3.7
243.21021	3.5
247.16841	3.1
261.18643	2.4
261.22131	12.1
267.15918	25.9
275.20129	4.1
279.23099	2.7
285.22150	5.4
299.23764	3.9
301.25272	23.5
303.23392	3.9
335.25885	14.1
341.24496	3.4
359.25729	5.2
417.26227	3.2
417.31705	3.3
435.27441	2.5
435.32672	8.1
453.33499	21.8
471.34860	13.9
527.37292	61.4
545.38397	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
63.50079	0.4
69.13524	0.3
70.47526	0.9
85.02890	0.4
86.11228	0.4
100.70367	0.4
125.79482	0.3
133.06578	0.4
137.05959	0.7
161.06015	0.6
203.05260	3.0
231.08356	0.5
291.10074	0.5
318.24820	0.5
365.26596	14.1
383.27637	1.1
545.32959	100.0
546.33392	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	543.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.8
55.01870	3.2
55.05264	2.2
55.05510	28.5
57.03427	5.5
57.07067	1.3
65.03936	4.0
67.05507	36.7
69.03413	3.6
69.07066	14.4
71.04981	3.0
72.02410	1.2
79.05495	28.2
81.03417	8.5
81.07053	37.1
82.91329	1.5
83.04988	5.4
83.08627	12.9
91.05479	27.0
93.07043	26.5
95.04975	8.0
95.08601	21.7
97.06525	3.8
97.10172	13.8
103.05473	2.5
105.07029	28.1
107.04964	2.8
107.08591	15.6
109.06493	3.6
109.10149	13.1
111.08082	3.0
115.05470	3.4
117.07018	17.0
119.08572	20.4
121.06509	4.6
121.10133	8.7
123.08073	3.5
123.11684	3.6
125.09615	9.4
128.06209	2.5
129.07013	12.1
131.04889	1.4
131.08563	22.4
133.06491	2.8
133.10143	11.2
135.08044	4.8
135.11685	2.5
137.09612	3.0
141.06995	5.9
142.07784	3.1
143.08559	16.1
145.06499	4.6
145.10114	19.6
147.07974	2.5
147.11655	7.3
149.09618	3.1
149.13307	3.1
151.11195	1.4
153.09090	1.8
155.08545	8.1
156.09416	1.8
157.06609	1.6
157.10139	12.8
159.08063	5.2
159.11685	14.4
161.09647	2.5
161.13297	2.9
163.11206	3.1
167.08574	2.1
169.10117	9.8
171.08022	1.5
171.11646	10.7
173.09633	3.3
173.13245	11.2
175.11220	2.4
179.08488	1.8
181.10172	5.1
183.11708	8.4
185.09616	2.3
185.13210	9.4
187.11147	1.5
187.14864	3.8
189.11237	5.6
189.12784	2.3
193.10170	1.5
193.12302	2.1
195.11732	4.9
197.09747	1.3
197.13280	5.1
199.11206	2.2
199.14835	4.1
201.12730	1.5
201.16570	1.5
207.11832	1.8
209.13289	3.9
211.14854	3.9
213.12914	1.5
213.16263	1.7
215.14346	1.6
217.15901	1.5
221.13220	2.3
223.14821	2.6
227.12700	7.4
229.70378	1.4
233.13393	1.6
233.15483	1.5
235.14789	1.6
237.16431	2.0
241.19588	1.6
255.17442	1.4
259.20642	3.0
265.19504	2.3
273.18558	1.8
275.20163	4.1
277.21756	2.0
281.22708	1.3
283.20621	3.4
299.20453	2.2
299.23633	9.5
301.21561	1.9
315.19855	1.5
315.23260	2.0
322.67444	1.4
339.23306	2.8
357.24255	1.6
415.29880	4.2
421.26389	1.4
433.30835	9.4
451.32043	14.8
469.32935	8.7
507.34869	2.9
525.28503	2.6
525.35852	29.3
526.36023	2.2
543.36835	100.0
544.37286	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	543.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.4
55.01875	3.1
55.05510	22.5
57.03422	3.8
59.65316	1.4
64.98415	1.4
67.05504	28.7
69.07076	8.1
71.04974	3.0
71.08640	1.6
77.16541	1.3
79.05493	23.6
80.48106	1.6
81.03439	6.9
81.07061	27.5
83.04986	4.1
83.08624	8.9
85.06519	1.6
88.56402	1.4
91.05478	24.0
93.07045	20.6
95.04981	6.6
95.08610	13.8
97.06548	3.1
97.10156	10.3
99.08076	1.9
105.07027	20.1
107.04955	3.3
107.08597	13.0
109.06561	2.2
109.10143	7.7
111.08102	3.1
113.17768	1.3
115.05426	2.3
117.07023	11.8
119.08590	12.8
121.06538	2.2
121.10149	7.6
123.08060	3.1
123.11687	2.7
123.58916	1.5
125.09648	5.0
128.06190	2.4
129.07010	11.2
131.08577	17.1
133.06497	3.6
133.10106	11.8
135.08037	3.1
135.11722	4.2
137.09598	2.6
141.07030	4.9
143.08571	10.8
145.06525	2.1
145.10120	14.2
147.08058	1.5
147.11713	6.7
149.09604	2.0
149.13292	1.9
149.50905	1.6
151.30861	1.5
155.08539	7.8
157.10112	9.7
159.08026	2.5
159.11674	8.8
161.09612	2.8
161.13274	4.7
162.22690	1.4
162.58391	1.3
167.08594	2.2
169.10127	6.8
171.08026	2.7
171.11641	9.8
173.09645	2.6
173.13321	4.5
174.99246	1.5
175.11214	1.6
179.14394	1.6
181.10118	3.0
183.11697	7.3
185.09612	2.3
185.13295	5.6
187.11232	1.6
187.14874	2.6
189.11295	3.3
193.12248	3.2
195.11710	3.0
197.13327	3.2
199.11212	1.6
199.14824	3.5
207.11906	2.2
209.13255	2.8
211.14961	3.2
213.12819	1.6
223.14778	2.3
227.12709	1.6
229.14253	1.5
229.50848	2.4
237.16266	1.5
241.19601	2.2
247.17230	1.8
257.19131	1.9
259.20639	4.5
267.15909	2.4
275.20218	2.3
283.20642	2.5
297.22263	3.1
299.23642	7.7
313.21719	1.9
315.23209	2.5
353.24777	1.6
415.29788	2.4
423.33173	1.5
433.31079	5.5
451.32001	11.7
459.97815	1.6
469.33124	5.8
514.84418	1.5
525.35822	18.6
543.36871	100.0
544.37115	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	543.3679
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
50.85143	1.1
52.57798	1.2
53.03943	1.5
55.01861	2.6
55.05263	1.5
55.05508	17.7
57.03432	3.8
57.07046	1.4
63.03716	1.0
65.03923	2.3
67.05171	1.9
67.05503	26.4
69.03414	1.5
69.07059	8.7
69.45441	7.8
69.45846	3.3
71.04982	2.4
77.75573	1.1
79.05496	19.8
80.08017	0.9
81.03410	5.3
81.07056	23.4
83.04966	2.4
83.08608	7.7
89.77711	1.1
91.05470	20.4
92.72483	1.2
93.07047	17.5
95.04946	5.7
95.08595	11.8
97.06525	2.7
97.10178	8.2
105.07030	15.9
107.04989	1.9
107.08598	12.0
109.06494	1.8
109.10161	10.4
111.08075	2.5
115.05460	2.7
117.07006	10.3
119.08570	13.6
121.06523	2.0
121.10126	5.5
123.08031	1.3
123.11670	1.5
125.09615	7.3
128.06201	1.7
129.06995	9.3
130.07820	1.4
131.08565	18.4
133.06416	2.1
133.10123	8.6
135.08075	3.4
135.11732	2.4
141.06996	2.8
142.07774	2.2
143.08551	10.7
144.09355	1.7
145.06485	3.8
145.10110	14.3
147.08101	2.0
147.11682	6.6
149.09781	2.2
149.13249	2.7
153.07025	1.3
153.08987	1.6
155.08574	4.3
157.10107	8.5
159.08086	2.7
159.11697	10.4
161.09645	1.1
161.13295	3.0
162.51373	1.4
163.11151	1.3
167.08527	2.8
169.10175	6.6
171.11678	7.0
173.09648	2.4
173.13228	6.3
175.11215	1.6
175.14854	1.4
181.10097	2.7
183.11659	5.6
185.09631	1.5
185.13258	5.9
187.11250	2.1
187.14862	1.9
189.11258	4.7
189.12813	1.8
193.10216	1.7
193.12140	1.4
195.11673	5.3
197.13298	5.4
199.14822	3.1
201.12712	2.1
201.16495	1.3
209.13329	2.9
211.14856	2.1
213.16594	1.4
221.13145	1.4
227.12794	3.3
237.16351	1.4
241.19556	1.5
259.20557	3.0
267.15967	2.5
271.17023	1.2
275.20187	1.5
283.20670	3.0
297.22208	2.6
299.20694	1.7
299.23541	6.4
301.21680	1.3
315.23099	2.1
357.24646	1.2
407.24368	1.2
415.29794	1.4
423.32745	2.4
433.31030	6.2
451.32077	11.9
468.70709	1.3
469.33020	7.1
515.37537	2.6
525.35687	18.5
543.36786	100.0
544.36694	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	543.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.1
53.03946	4.3
55.01860	3.2
55.05507	14.3
57.03420	3.1
57.07063	1.4
65.03941	2.1
67.05499	38.3
67.33488	0.9
69.03410	1.3
69.07056	9.8
69.14846	0.8
70.15534	4.2
71.04980	2.8
73.02907	1.4
79.05489	44.4
81.03413	1.8
81.07050	35.0
83.04975	4.3
83.08616	7.2
85.06508	1.0
91.05475	22.3
93.07038	59.3
95.04965	10.6
95.08603	43.0
95.09232	1.1
97.02877	2.8
97.06548	4.7
97.07111	0.9
97.10178	1.6
99.04451	2.8
103.05452	0.9
104.12056	0.8
105.04546	0.9
105.07025	13.5
107.04931	7.2
107.08583	32.4
109.06500	2.4
109.10141	7.7
111.04437	2.0
111.08077	1.8
116.06239	1.0
117.07008	12.9
119.08566	13.3
121.06498	4.8
121.10123	20.5
123.11669	1.8
123.59785	0.8
125.05985	3.3
125.09635	0.8
129.06995	1.9
130.07784	2.7
131.08585	6.2
133.10147	5.3
135.08018	1.5
135.11676	43.7
139.07549	1.6
143.08598	1.3
145.10112	28.3
147.11694	4.0
149.13210	2.3
157.10144	1.1
159.11697	2.7
161.13260	2.2
162.13857	0.8
163.11171	53.4
163.14867	1.2
165.14461	0.9
166.94139	0.7
173.13307	2.4
181.12227	14.7
209.11737	1.8
215.39726	0.9
227.12767	100.0
243.21043	2.5
257.04742	0.9
261.22107	7.7
275.20035	1.2
317.24551	1.4
324.44016	0.8
540.20691	0.9
543.36810	42.2
544.37152	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3679
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
50.75179	1.4
51.46769	1.0
51.74944	1.2
53.03933	2.5
55.01867	3.1
55.05516	16.8
57.03428	4.7
59.05002	1.2
65.03923	1.4
67.05170	2.5
67.05504	28.7
69.03402	1.6
69.07064	10.1
69.33355	10.1
69.33778	3.3
71.04996	2.2
79.05062	1.9
79.05492	19.7
81.03439	6.1
81.07058	22.4
83.04975	3.0
83.08626	8.7
85.06565	1.7
91.05479	17.6
93.07047	16.0
95.04962	6.2
95.08604	14.4
97.06511	2.3
97.10175	7.6
105.07034	16.5
107.04978	1.7
107.08573	9.6
109.06438	1.9
109.10159	6.6
111.08099	2.9
117.07024	13.7
119.08578	12.6
121.06530	2.4
121.10145	5.5
123.11739	1.9
125.09605	6.3
128.06242	3.2
129.07018	7.6
131.08563	16.5
133.10124	8.4
135.08063	3.0
135.11705	2.8
137.09711	1.7
141.07002	3.3
142.07854	2.6
142.77196	1.4
143.08551	10.7
144.09335	1.8
145.06468	3.0
145.10104	12.7
147.08121	1.4
147.11708	5.1
149.09633	2.8
149.13318	1.3
155.08519	6.7
157.10094	12.2
159.08052	3.9
159.11679	8.5
161.09590	1.6
161.13229	2.1
165.06985	1.2
167.08623	2.1
169.10106	5.6
171.08002	1.9
171.10446	1.4
171.11693	8.9
173.09604	3.6
173.13242	4.8
179.08536	1.4
181.10094	4.2
183.11693	6.8
185.09673	2.1
185.11815	1.7
185.13322	5.8
187.11208	3.0
187.14890	3.3
189.11209	3.1
189.12810	2.0
195.11731	3.9
197.13297	4.4
199.11082	1.9
199.14825	5.0
201.12729	1.8
209.13289	2.6
211.14877	3.5
223.14851	1.8
227.12802	3.6
251.14200	1.3
259.20602	3.0
267.15900	4.0
297.22238	3.0
299.23669	7.1
301.21671	3.3
325.21744	1.6
339.23257	2.8
415.30011	2.6
423.32635	1.8
433.31131	9.0
451.32098	13.1
469.33029	7.1
487.34567	1.9
507.34650	1.6
515.37238	1.6
525.35742	19.4
543.36823	100.0
544.36987	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	543.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
69.99870	3.5
70.00293	1.6
70.61579	0.7
117.95087	0.8
127.00789	0.8
136.06387	1.0
139.09593	0.7
143.62997	0.8
152.40596	0.7
162.04375	1.1
219.07735	0.9
261.08780	2.7
363.06873	0.9
381.07925	20.1
457.45081	0.9
543.13208	100.0
543.71179	0.8
544.13403	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	543.184
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44796	0.3
61.01069	0.3
65.28485	0.3
66.18747	0.3
70.64603	0.6
70.64936	0.3
71.09863	0.3
85.02908	0.3
91.05452	0.3
95.04990	0.3
97.02885	0.4
107.04977	0.3
109.26334	0.3
123.66798	0.3
137.06049	0.6
147.04424	0.3
153.01872	1.0
159.04106	1.6
181.03473	0.4
185.04211	0.7
199.04445	0.5
247.04553	0.5
267.04977	0.4
300.08496	0.4
381.12967	4.5
391.49197	0.3
399.13007	0.8
528.15717	0.4
543.18359	100.0
544.18561	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.9
55.01853	3.2
55.05508	19.3
57.03419	5.1
57.07072	2.3
65.03968	1.5
67.05500	28.9
69.03413	2.0
69.07074	11.6
69.45906	6.0
69.46344	5.2
71.04990	1.9
79.05491	19.8
81.03411	7.2
81.07053	24.9
83.04974	3.0
83.08610	8.1
91.05477	18.3
93.07034	19.8
95.04974	8.9
95.08604	14.8
97.06542	2.7
97.10174	8.4
105.07021	17.0
107.04991	2.7
107.08595	14.4
109.06503	2.7
109.10155	8.5
111.08095	2.8
115.05446	1.8
117.07012	11.6
119.08583	16.3
121.06523	2.3
121.10139	5.7
123.08122	2.1
125.09633	6.4
128.06261	2.2
129.07016	13.1
130.07832	1.4
131.08562	16.7
133.10104	9.7
135.08083	2.8
135.11696	2.5
141.06978	3.1
142.07799	2.7
143.08563	14.2
144.09271	1.4
145.06506	2.4
145.10107	15.5
147.08034	3.5
147.11676	6.0
155.08559	7.9
156.09335	1.4
157.10130	12.5
159.08098	4.5
159.11674	9.9
161.09671	1.5
161.13254	2.8
167.08578	1.7
169.10168	7.6
171.08095	1.8
171.11633	9.4
173.09593	3.0
173.11832	1.6
173.13206	6.5
181.10141	5.7
183.11668	5.5
185.13261	6.8
187.11082	2.3
187.14746	2.9
189.11261	2.3
193.12219	3.1
195.11736	3.7
197.09525	1.3
197.13280	4.7
199.14816	3.9
201.12773	2.2
203.14259	1.7
203.75330	1.4
207.11801	2.7
209.13287	4.4
213.16386	1.9
216.71976	1.3
221.13354	1.6
227.12698	3.3
259.20654	5.6
259.57468	1.5
267.15918	3.4
273.18057	1.6
283.20624	1.7
297.22247	2.9
299.23654	4.7
307.20850	1.4
325.21820	1.9
327.22986	1.7
339.23340	3.1
358.40958	1.4
414.96509	1.6
415.30072	3.5
423.32697	2.4
433.30960	7.5
451.32053	15.5
469.33130	4.4
507.34796	2.1
525.35767	17.5
543.36798	100.0
544.37140	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	542.26
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.1
57.51642	1.1
69.03410	4.3
70.06588	3.5
71.04731	3.7
72.08126	1.8
79.05459	2.2
81.03405	2.0
85.02902	16.5
87.00813	3.3
91.05468	8.2
93.03363	2.1
93.07015	2.0
95.04992	2.1
97.02900	3.3
97.06522	1.2
103.05460	6.6
105.01860	4.3
105.06982	3.7
106.04147	5.2
107.04961	3.0
109.02870	2.1
109.06507	1.5
120.08183	1.5
121.06498	8.3
122.03658	6.2
122.06785	1.4
127.03923	6.5
131.04921	6.5
133.06497	21.2
135.08083	5.8
137.05974	100.0
137.73465	1.4
141.01799	2.0
145.04909	1.6
145.06483	2.5
147.08061	1.3
149.05983	8.1
150.06349	2.4
151.07520	5.7
153.09137	2.0
157.06458	1.4
163.07538	31.1
167.07042	1.8
171.08096	2.2
175.07600	2.2
177.05455	4.9
181.08577	4.5
189.09090	4.3
191.96764	1.2
193.08649	2.7
203.10651	5.3
209.08093	16.3
210.08430	4.8
211.08405	1.5
211.09818	1.3
228.01987	1.3
235.10919	1.2
295.13248	16.4
327.15887	24.6
499.68591	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.5
57.07078	34.6
58.85472	1.2
69.07084	2.1
69.53648	11.7
71.08244	1.5
71.08637	24.0
73.06561	7.5
74.98946	1.4
76.52671	1.2
77.10571	1.2
77.45491	1.2
79.05476	1.9
81.07023	1.5
83.08621	1.6
85.10179	22.0
87.04486	6.3
89.06030	100.0
91.05447	1.5
97.10167	3.1
97.89597	1.2
99.11732	4.2
107.07092	4.7
117.09141	5.2
119.08598	1.4
130.08673	2.0
133.08601	51.0
155.17941	6.1
160.65918	1.4
177.11237	18.6
177.12691	2.1
198.54361	1.4
199.20624	3.1
200.49467	1.2
202.28493	1.4
221.13918	3.1
239.15019	2.2
243.23221	6.3
283.17499	2.9
287.25836	3.2
289.50787	1.4
327.20074	1.5
371.22729	5.7
525.39783	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	542.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
60.17474	0.6
61.02908	0.5
62.21707	0.5
67.42667	0.7
69.64383	4.0
79.05504	1.2
82.27218	0.6
85.02892	0.8
91.05484	1.6
93.07040	2.1
97.02934	0.9
98.97577	0.9
103.05461	6.6
107.04951	2.0
119.04964	1.9
120.08104	100.0
131.04916	2.2
135.04361	0.8
136.06161	0.9
137.06000	0.8
147.04411	2.5
149.05981	2.5
163.03989	0.8
164.40514	0.5
166.08638	51.6
167.07086	1.4
173.22768	0.6
179.07050	2.8
322.53220	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	3.4
53.03944	8.0
55.01862	3.6
55.05510	27.9
57.03430	3.6
57.07071	2.6
61.96923	1.3
65.03931	3.9
66.74692	1.2
67.05502	77.8
69.03426	2.7
69.07066	19.5
69.33142	12.0
71.04977	3.7
73.06548	2.1
73.49940	1.1
77.03954	2.4
79.05492	100.0
81.03426	9.6
81.07054	64.6
81.07443	0.9
81.16786	1.4
83.04980	11.8
83.08615	12.2
85.06540	3.0
91.05479	68.3
93.07041	84.8
95.04967	23.5
95.05560	1.7
95.08602	42.2
97.06526	5.7
97.10162	4.3
103.05455	2.5
105.04537	1.9
105.07029	45.4
107.04942	4.9
107.08589	31.7
109.06503	6.6
109.10158	10.9
110.29705	1.1
111.08066	3.2
115.05466	1.8
117.07024	13.8
119.08578	29.4
121.06535	1.4
121.10143	18.0
123.08061	5.2
123.11700	2.2
128.06213	2.4
129.07007	14.9
130.07759	1.2
131.08566	14.1
133.10136	15.5
135.11690	12.0
137.09673	1.4
143.08574	8.9
145.10118	13.6
147.08028	1.5
147.11678	34.1
149.13271	4.7
155.08589	1.9
157.10118	2.8
159.11710	4.6
161.09663	4.6
161.13275	13.9
163.10974	1.2
163.14830	1.5
169.10194	2.2
171.11679	24.3
173.13290	4.1
177.16286	1.1
179.14287	1.8
185.13318	1.3
187.14865	2.1
189.12781	10.0
195.11649	1.1
207.13786	24.5
211.14713	1.4
218.49371	1.2
225.14696	2.7
239.14209	1.1
242.74831	1.2
261.22189	4.5
281.17383	2.2
317.24680	1.3
339.91852	1.1
348.09479	1.5
449.34351	3.2
485.36566	1.4
509.59164	1.2
523.37994	1.2
541.38879	71.9
541.53485	3.2
542.39532	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	16.1
57.03422	6.5
57.85994	3.6
61.54954	3.8
67.03662	3.8
67.05502	40.7
69.07062	16.6
70.65660	7.7
79.05499	32.6
81.07046	30.7
83.08624	9.5
87.41157	4.5
91.05476	29.8
93.07044	34.1
95.04981	9.9
95.08617	22.6
105.07025	21.1
106.45284	4.1
107.08601	12.0
109.10150	9.1
117.07017	9.2
119.00168	4.0
119.08581	16.4
121.06565	4.9
121.10141	12.0
129.06973	14.1
129.67632	4.3
131.08569	23.6
133.10120	7.8
135.11671	4.4
140.77272	4.1
141.06978	6.9
143.08578	20.0
145.10112	18.6
147.11649	7.8
155.08577	12.2
156.09363	5.1
157.10078	14.0
159.11630	9.3
169.10141	18.6
171.11650	11.4
173.13197	5.7
176.47438	4.1
181.10201	6.1
183.11685	10.3
185.13129	6.2
195.11736	7.9
197.13318	9.5
199.14874	5.0
228.23206	4.4
261.22113	4.1
357.17450	5.4
394.79404	4.9
431.33124	4.6
449.34048	12.6
467.35403	6.8
489.09244	4.4
523.37537	8.4
541.38971	100.0
541.53510	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	541.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	6.7
57.07066	12.6
63.01819	4.7
67.05493	14.9
68.90353	4.9
69.07074	40.0
69.74225	13.0
69.74647	21.9
71.05011	5.6
71.08633	11.5
79.03335	6.8
79.05485	10.0
81.07056	70.8
83.08607	15.0
85.02885	9.5
85.06548	70.5
86.09634	5.6
91.05499	10.6
93.07039	23.4
95.08601	38.6
97.06502	12.3
99.08082	10.5
105.07050	25.5
107.08571	19.7
109.06501	5.9
109.10163	23.8
111.08050	7.3
113.05975	6.9
119.08569	14.1
120.12567	5.0
121.10134	22.0
121.50613	4.8
123.11703	26.9
135.11674	8.7
137.05960	9.3
137.13222	8.2
139.11176	12.7
145.10139	5.6
147.11710	16.6
149.13193	6.9
161.13264	6.2
163.14816	20.9
165.12740	12.2
177.16376	8.3
183.13844	9.6
194.22743	5.3
201.61105	5.0
203.17941	18.0
209.58443	5.0
211.20532	7.3
221.19019	47.0
239.20039	90.9
250.10690	12.3
251.11415	6.8
252.12331	9.0
254.10155	8.6
279.11127	11.6
280.11548	13.4
296.11050	6.2
307.26315	11.9
312.11121	6.3
313.11401	8.7
324.14224	6.9
325.27225	8.0
327.13348	18.6
328.13831	37.9
339.13477	26.8
340.13705	54.5
354.11731	7.8
361.29639	7.1
367.12756	26.2
368.13202	64.6
369.13776	10.9
399.15427	7.3
400.16339	6.1
509.21136	100.0
541.18805	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	541.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.5
57.07074	10.0
59.44510	4.3
67.05497	18.9
67.42277	4.2
69.07069	19.2
69.36847	12.7
69.37264	29.6
69.90314	4.1
71.05022	4.6
71.08630	10.8
79.05503	12.6
81.07047	50.7
83.08621	5.7
85.02923	5.5
85.06541	100.0
91.05485	6.2
93.07044	21.8
95.04975	3.9
95.08612	26.5
97.06521	19.5
99.08096	13.5
105.07037	17.7
107.08590	22.3
109.10157	27.1
111.08083	10.9
111.11741	5.1
119.08582	13.1
121.10155	14.3
123.11716	49.4
133.10136	11.5
135.11713	6.5
137.13297	5.5
139.11121	6.2
147.11691	14.0
149.13228	6.4
151.11174	12.1
153.01871	8.8
163.14812	5.8
173.13295	4.8
175.14929	4.5
177.16379	8.3
181.15616	4.1
197.08055	4.7
202.97903	4.4
203.17970	16.4
212.08994	4.2
221.18991	65.7
233.19014	4.4
239.20053	33.9
251.20116	26.3
280.85529	3.8
289.25171	9.9
295.25992	4.6
307.26364	10.4
325.27347	11.4
339.13416	14.7
340.13907	10.3
343.28125	4.5
361.29410	6.0
367.12875	6.8
368.13150	14.7
434.80090	4.2
509.20990	13.2
541.18872	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	541.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.5
53.03947	10.4
55.01879	14.9
55.05262	2.3
55.05512	29.4
57.03431	6.8
57.07058	2.4
60.93099	1.7
65.03936	6.5
67.05502	57.2
69.03425	2.0
69.07069	40.4
71.04999	5.9
75.97992	1.5
79.05491	53.9
81.03416	100.0
81.07058	63.9
83.04991	12.9
83.08621	19.0
85.06551	2.2
91.05479	78.5
93.07038	46.4
95.01319	13.7
95.04964	38.6
95.08604	41.5
97.02885	2.2
97.06537	19.5
97.10170	6.4
98.21511	3.4
98.71262	1.3
103.05486	3.4
105.04542	2.1
105.07027	88.4
107.04957	31.6
107.08604	27.3
109.06515	8.8
109.10164	11.5
111.04487	3.1
111.08100	9.0
115.05488	5.2
117.07015	23.3
119.08584	53.1
121.06505	9.7
121.10145	15.9
123.04426	3.4
123.08086	5.2
123.11694	2.9
125.09634	4.8
128.06259	3.5
129.06984	19.4
131.08571	33.6
131.09532	2.6
133.06531	5.8
133.10127	49.1
133.11078	3.1
135.08058	6.9
135.11696	15.2
137.09676	3.5
139.07613	1.6
141.06996	6.1
142.07756	4.1
143.08582	10.9
145.06493	4.9
145.10120	25.9
147.08070	4.7
147.11685	27.6
149.09605	12.6
149.13290	6.2
151.11182	2.0
155.08586	6.2
157.10127	12.7
159.11687	18.0
161.09634	1.7
161.13280	7.7
163.11179	12.1
165.12915	2.1
169.10147	4.2
171.11745	6.6
173.13264	7.0
175.11209	8.1
175.14906	2.1
177.12790	7.0
179.14313	17.9
181.10162	2.0
183.11763	4.2
185.13297	4.9
185.22858	1.8
187.11220	5.5
187.14836	2.6
193.12231	16.1
195.11681	2.5
197.13303	3.0
201.12772	2.2
205.12395	2.1
211.11043	1.6
227.12680	10.2
233.15611	1.7
239.18062	4.2
241.19640	1.9
247.20607	2.9
249.14973	3.3
257.18954	8.8
259.20660	2.0
267.15903	3.5
275.20056	83.8
288.05814	1.6
293.21176	8.3
297.22241	2.4
349.23697	2.8
401.09644	1.4
431.29364	3.2
436.05811	1.5
449.30539	5.7
467.31693	2.7
523.34070	4.1
541.35260	75.5
542.35516	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	12.1
55.01674	1.3
55.01871	15.4
55.05273	2.1
55.05509	27.3
56.41277	1.3
57.03444	6.7
57.07064	1.9
57.91061	1.4
65.03931	4.8
67.05502	63.3
69.03407	4.2
69.07063	40.6
69.35078	14.7
71.04979	4.2
79.05492	60.7
79.05876	0.8
79.05963	1.6
81.03413	100.0
81.07053	68.0
83.04961	12.2
83.08622	21.5
85.06540	2.0
91.05476	76.6
91.28722	1.3
93.07041	45.1
95.01331	13.6
95.04967	36.8
95.08604	39.8
97.02911	2.1
97.06527	17.9
97.10178	6.8
99.08069	2.1
103.05432	3.2
105.04559	1.6
105.07026	89.4
107.04950	33.0
107.08588	25.1
109.06509	6.4
109.10155	12.4
111.08074	8.4
115.05435	7.3
116.06223	2.0
117.07012	20.4
119.04927	1.5
119.08577	50.5
121.06532	7.1
121.10148	13.0
122.10358	1.3
123.04424	2.2
123.08061	5.4
123.11710	3.1
125.09605	5.3
128.06235	2.6
129.06981	14.1
131.08557	33.6
133.06483	3.8
133.10129	43.5
135.08029	5.1
135.11646	7.0
137.09587	4.8
139.07521	1.6
141.06929	3.1
142.07791	4.2
143.08556	9.6
145.06467	5.0
145.10112	21.8
147.08052	5.1
147.11671	24.1
149.09619	13.7
149.13251	4.0
151.11243	2.6
153.07028	1.9
155.08572	5.2
157.10144	15.3
159.08087	2.1
159.11690	14.3
161.09644	2.6
161.13228	5.8
163.11134	8.2
165.09087	2.5
169.10132	6.1
171.11702	5.4
173.09621	2.4
173.13264	5.8
175.11179	7.7
177.12737	5.9
179.14305	20.3
181.10051	1.6
183.11685	6.6
185.13266	3.3
187.11154	4.7
193.10278	1.9
193.12231	18.8
195.11769	2.5
197.13255	3.5
205.12198	2.9
215.14363	1.8
219.17441	4.2
221.13213	1.8
229.19443	2.1
239.18033	2.7
241.14343	2.6
247.20638	3.8
249.14899	5.0
257.19098	7.9
267.15775	3.4
275.20044	92.3
276.20551	2.7
293.21085	8.6
297.22198	2.1
331.22684	1.8
337.01419	1.5
349.23801	1.9
431.29401	3.0
449.30566	4.8
467.31506	4.5
523.34186	5.3
541.35175	73.4
542.35468	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	541.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.7
55.01872	9.3
55.05511	28.3
55.64304	1.1
57.03430	6.1
57.07032	1.7
57.17910	1.1
65.03943	3.5
67.05506	44.1
69.03436	2.6
69.07067	18.1
69.45963	6.0
69.46401	5.1
71.04990	2.6
77.09656	1.2
79.05492	42.2
81.03417	39.7
81.07055	42.1
83.04967	7.9
83.08622	17.2
85.06549	2.3
91.05479	44.0
93.07041	31.0
95.01333	2.1
95.04971	23.8
95.08607	23.7
97.02917	1.4
97.06536	11.8
97.10162	12.2
98.20722	2.2
103.05502	1.4
105.07033	36.8
105.07755	2.0
106.32373	1.1
107.04955	9.2
107.08586	22.6
109.06521	7.5
109.10161	15.3
111.08088	5.4
113.09640	1.3
115.05450	3.7
116.06184	1.3
117.07017	17.0
119.08588	28.9
121.06521	5.2
121.10137	11.7
123.04399	1.6
123.08075	3.1
123.11728	3.5
125.09607	9.5
128.06219	6.4
129.07004	18.6
129.64185	1.5
130.07793	1.7
131.08566	26.8
133.06500	4.8
133.10127	17.1
135.04424	1.5
135.08075	5.7
135.11678	5.0
137.09656	2.7
141.06972	7.5
142.07811	3.5
143.08545	12.7
145.06459	3.4
145.10121	20.2
147.08041	3.3
147.11693	13.3
149.09590	11.2
149.13272	2.6
151.11160	1.4
153.07021	2.0
153.12738	1.5
155.08556	11.5
156.09413	1.9
157.06470	2.6
157.10133	16.0
159.08118	4.9
159.11713	10.3
161.09657	3.3
161.13292	4.1
163.11159	5.9
165.12784	1.2
167.08591	5.7
168.09500	1.7
169.10147	11.9
171.08087	4.6
171.11693	11.7
173.09657	2.6
173.11884	2.2
173.13290	5.8
175.11188	6.0
177.12712	1.9
179.14365	2.6
181.10130	7.6
182.10849	1.5
183.08102	2.2
183.11697	9.9
185.09656	3.4
185.13242	7.2
187.11279	3.4
189.11267	3.4
189.12788	1.5
192.09634	1.2
193.10211	3.6
193.12273	12.8
195.11670	7.4
197.09676	2.0
197.13228	6.7
199.11267	2.2
199.14830	2.0
201.12814	1.8
207.11754	3.7
209.13280	5.9
211.11198	2.3
211.13200	2.3
211.14980	2.3
213.12773	2.0
213.16406	1.4
221.13234	2.9
223.14828	1.5
229.19629	2.0
239.18001	2.5
241.15976	1.6
247.20541	1.6
257.19022	9.2
263.17828	1.3
267.15848	2.8
271.17029	1.5
275.20084	31.4
293.21451	1.8
295.20541	1.4
297.22092	3.4
299.20108	2.7
301.18295	1.6
311.20029	1.6
313.21722	2.4
323.20233	1.8
331.22775	3.1
336.84277	1.2
337.21353	1.5
351.23251	1.6
355.22644	2.1
413.28690	1.4
421.31030	2.6
431.29379	6.5
438.87659	1.6
443.27927	5.2
449.30536	14.1
467.31570	9.7
485.32776	2.4
513.36328	1.8
523.34094	12.7
541.35303	100.0
542.35742	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	541.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	6.1
55.05508	11.0
57.03429	4.4
58.68253	3.3
67.05511	23.0
67.34741	3.5
69.07058	9.4
70.31378	14.1
71.04993	4.3
75.63793	2.8
79.05489	24.6
81.03404	4.8
81.07059	20.5
83.08608	6.2
85.37411	3.0
91.05477	29.8
93.07068	17.9
95.04967	10.3
95.08595	12.8
97.06546	4.4
98.98450	5.5
105.07040	28.5
107.04955	13.3
107.08596	11.4
109.06547	4.2
109.10178	5.4
111.08022	4.0
117.06994	17.8
119.08593	14.4
121.06499	6.8
121.10233	4.3
128.06224	4.1
129.07001	16.9
131.04948	3.9
131.08557	19.2
133.06441	4.1
133.10115	9.5
135.08031	3.5
137.02322	9.5
137.05966	8.3
141.06978	10.0
143.08525	14.6
145.06503	9.2
145.10120	14.0
147.08058	3.8
147.11687	4.4
151.03914	3.7
151.11308	3.8
153.50882	2.8
155.08542	11.5
157.06548	5.1
157.10100	10.7
159.11713	6.4
161.09633	4.3
167.08592	4.1
169.10139	8.6
171.11673	7.3
177.73195	3.1
181.10138	6.7
183.11690	3.6
187.11372	3.1
195.11710	6.0
197.13260	3.4
211.14833	5.1
221.13286	5.4
225.12730	4.4
229.08759	3.9
231.13811	4.0
239.14519	3.6
271.06161	4.5
341.24857	5.1
351.23199	22.6
369.24152	29.1
387.25330	8.3
425.26865	5.5
443.27939	100.0
541.14758	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	541.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82334	2.1
55.01877	15.0
57.03427	4.3
58.80453	2.3
61.02922	3.4
64.34344	2.6
65.03947	2.9
67.05515	3.3
68.99788	4.9
69.03430	14.0
69.81713	14.8
70.06598	4.0
71.01347	4.5
73.02911	6.5
79.05505	3.7
81.03411	6.3
81.07053	3.6
85.02902	38.0
86.09734	2.4
87.00815	21.3
91.05486	12.5
95.01646	3.8
95.04979	4.4
97.02887	18.3
98.21474	5.0
98.97583	3.2
103.05480	7.0
105.01862	8.8
105.07034	9.5
107.04960	3.5
108.02078	2.6
109.02895	3.0
109.06506	2.9
111.04444	6.7
115.03931	20.3
115.05440	9.5
118.04138	10.0
119.04923	3.0
119.08604	6.8
120.08097	5.4
122.03644	6.5
122.32108	2.6
127.03907	3.8
128.06195	5.2
129.01866	4.6
129.06975	5.2
129.10335	2.4
131.04918	10.0
131.07108	2.3
132.05719	5.8
133.06425	5.0
137.05977	76.1
138.06306	3.1
141.05450	4.6
141.07008	3.4
143.04938	6.0
144.05644	2.3
145.06535	4.5
146.03659	4.8
146.99644	4.4
147.02913	3.1
147.04410	6.9
147.08093	5.4
151.03902	56.3
151.05000	2.0
151.07576	7.1
153.01828	5.6
153.07014	3.3
159.02927	2.8
159.08058	4.7
160.05200	6.2
161.05960	24.5
163.04005	3.4
163.07504	5.5
165.06900	3.5
168.05632	2.8
168.99969	2.6
169.06474	6.6
172.05231	2.6
174.06775	2.9
175.07539	58.3
177.05496	2.7
181.06476	5.8
183.04401	4.3
187.07532	13.3
189.04047	2.7
189.05461	62.3
189.07054	5.3
189.08981	2.9
191.06996	5.2
191.08583	3.7
192.04173	4.4
197.05957	6.5
198.06790	2.8
199.07469	12.5
201.05592	5.0
201.09003	3.6
202.07849	5.0
203.07062	8.5
203.08652	6.0
206.07133	2.8
211.07536	6.2
213.09065	5.3
215.06960	5.9
215.08653	7.1
218.07280	6.6
219.04904	3.5
219.08046	8.9
221.06081	4.0
223.07607	2.8
225.05507	4.0
226.06084	3.4
226.08118	3.0
227.06921	4.7
227.08826	2.8
227.10626	3.3
229.06548	3.9
229.08478	5.1
231.08128	12.9
232.08780	8.4
233.05855	3.0
233.09688	4.6
235.07338	4.9
237.09161	3.0
238.10580	2.9
238.31281	2.5
241.08586	9.5
243.08203	11.5
244.08861	8.6
245.05978	3.2
245.09785	4.3
246.06732	8.3
247.07541	5.1
248.08313	3.5
249.08986	5.3
251.10675	4.7
254.10260	3.3
255.08029	5.4
257.08133	8.3
258.06842	4.9
259.07532	16.1
260.08325	12.8
261.09106	15.3
263.10641	5.2
265.08670	7.7
266.09808	3.3
267.10120	3.8
269.09570	4.8
270.06741	2.5
271.07504	15.6
272.08377	13.5
273.09094	15.1
274.06296	8.0
274.09894	6.4
275.06924	7.1
275.10648	12.7
276.07825	6.1
277.08569	7.9
278.09351	3.6
279.10199	4.1
281.09546	7.5
283.07541	5.5
284.08258	4.1
285.09113	7.3
287.07181	5.9
287.10498	5.3
288.07870	11.8
289.08560	53.3
289.11758	2.3
290.09293	9.3
291.07196	2.7
291.10223	18.3
293.08105	4.1
293.11960	2.7
294.09158	3.2
297.08871	4.2
298.09805	4.9
299.10550	5.3
300.07800	5.9
301.08609	10.5
302.09326	11.2
303.04977	28.4
303.10110	32.5
304.05280	8.4
304.10648	3.5
305.08151	6.2
305.11676	7.6
306.08905	12.1
307.09769	6.1
307.13150	3.2
308.10400	10.6
309.08707	5.4
309.11752	3.8
313.11896	3.2
314.09369	4.9
315.10162	19.8
316.10782	4.8
317.08279	4.6
317.11697	6.9
318.08963	3.4
319.09610	9.7
320.10452	5.4
321.11221	47.3
322.12030	7.3
323.09344	4.1
323.12802	34.6
325.08426	3.8
326.09213	13.2
327.10098	11.0
328.10626	2.9
329.08231	3.5
330.08792	6.1
331.09540	5.5
331.13177	4.8
332.10287	7.2
333.11179	42.1
334.11673	3.0
335.12817	48.4
337.14343	7.4
340.13995	4.9
341.11694	14.8
343.09622	8.9
344.10355	3.4
345.11176	11.9
347.12833	19.0
349.14401	4.9
351.10474	2.8
354.08771	9.6
357.11255	6.0
358.12045	7.4
359.12784	15.6
363.12198	7.0
365.13934	13.3
368.10202	4.4
369.11121	19.2
371.09100	7.4
373.14236	10.6
375.12106	3.0
377.14014	11.8
383.12738	9.8
386.11304	3.5
387.12137	3.8
389.13922	4.9
395.15042	4.0
400.15839	4.7
401.13821	100.0
402.13828	3.6
419.14908	23.6
437.15881	10.1
455.16922	4.1
461.15924	6.4
478.80249	2.8
497.17810	6.2
505.14941	8.7
523.16345	12.0
541.16656	18.5
541.23511	11.0
541.30133	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	540.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23057	0.9
69.03439	0.9
69.07059	2.6
69.79396	3.5
69.79819	2.1
81.07050	2.1
83.04952	1.4
84.18797	0.8
85.06506	0.8
90.72365	1.0
93.07021	1.6
95.04964	1.4
95.08591	1.0
105.07037	1.2
109.10115	1.0
122.06086	1.1
123.11704	0.9
140.07079	1.3
152.07071	2.9
156.10204	0.9
176.10716	1.6
190.04771	0.9
194.08220	1.3
209.10722	1.4
223.12282	2.0
224.09433	0.9
225.10222	2.5
235.08739	2.9
236.09480	2.3
237.10236	8.4
238.11012	1.9
248.20088	1.0
249.10240	10.1
250.10985	4.2
251.08195	1.9
251.11774	11.8
252.12346	1.9
253.07086	1.1
253.09714	18.6
253.12437	1.2
253.13469	1.3
261.10107	0.9
262.11041	1.2
263.11896	1.3
265.09689	17.3
266.10532	1.9
267.11377	5.8
277.09729	3.6
278.06647	1.2
278.10501	7.0
279.07742	3.8
279.11307	17.1
280.11963	3.7
281.09158	0.9
281.12939	2.4
283.10831	1.2
291.11221	1.3
293.09204	7.1
293.12817	6.5
294.09946	2.4
294.13196	1.2
295.10782	6.3
295.14429	2.2
297.12314	5.3
306.09967	1.4
307.10794	2.0
308.11478	2.3
309.09030	1.5
309.12280	5.9
311.10199	3.3
311.13928	2.0
312.11008	14.8
321.12122	1.2
323.13992	1.8
324.11084	3.2
325.11905	11.1
326.12515	1.1
327.13382	60.2
328.13666	2.4
334.09225	1.1
335.10217	6.3
336.11044	1.6
337.11777	5.9
339.13385	87.3
340.13763	5.2
341.14981	1.2
352.10431	1.5
353.11340	12.1
367.12881	87.3
368.13467	9.3
385.13684	5.7
399.15555	12.1
467.20517	1.0
476.17917	2.3
480.21545	1.8
508.20789	100.0
509.21185	5.8
526.21478	2.3
540.23395	5.1
565.03113	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.6
54.32429	0.8
55.01867	2.0
65.03926	3.3
67.05483	1.5
69.03410	0.9
69.63615	2.9
69.64051	3.3
70.06595	1.3
75.04465	3.4
78.04706	3.5
79.05494	1.8
85.02893	3.4
86.09724	0.8
89.03881	1.0
91.05481	14.3
93.03400	13.7
93.07037	5.4
95.04955	3.8
97.02903	1.0
97.06513	3.4
103.05461	4.4
105.07018	1.1
106.04171	27.3
106.04877	1.9
107.04962	4.1
109.06505	2.0
117.03406	1.1
119.04931	1.6
121.06495	31.7
123.04434	1.5
125.05983	8.6
131.04898	1.7
133.06424	1.6
134.03644	4.9
135.04405	1.7
137.05974	6.1
138.06822	1.3
139.07504	1.7
145.02849	1.4
148.05191	2.6
149.05975	42.7
151.07558	2.3
153.05472	1.7
153.09087	12.9
163.03934	1.2
163.07533	2.1
165.05446	0.9
166.06163	1.8
167.07022	3.1
177.05463	24.1
181.08582	22.2
181.10181	1.0
190.00887	0.8
191.07011	2.2
209.08083	100.0
219.10141	5.1
223.04190	6.6
327.07486	1.2
542.20612	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08915	1.5
55.01885	1.6
55.05498	2.0
57.03417	4.4
69.03405	6.5
69.07052	3.2
70.14536	4.7
70.14931	3.9
71.04995	20.3
73.02884	2.3
78.08200	1.7
78.50156	1.6
79.05476	2.3
79.72277	1.6
81.03398	6.7
81.07047	1.7
83.04974	7.1
85.02901	43.5
87.00814	6.1
91.05446	1.9
93.07034	2.9
95.04971	2.2
97.02866	7.0
99.04432	3.4
103.03923	2.7
105.01854	13.8
109.02874	10.9
111.04437	7.3
116.98573	1.9
123.04411	2.2
127.03934	14.6
129.01846	1.7
129.05486	9.2
137.05965	19.3
138.06294	6.6
145.04955	6.1
147.06552	3.3
151.03815	2.9
152.07036	2.5
153.01759	2.2
153.05428	2.7
163.03932	3.4
164.09193	3.3
167.06979	2.3
167.87416	1.7
189.03873	2.0
194.08212	2.3
213.03894	2.9
225.10223	2.6
231.05055	4.3
235.08755	2.5
237.07880	3.3
237.10190	5.9
249.10223	7.1
250.10976	3.1
251.11795	10.2
253.09669	18.8
253.63969	1.7
263.11737	1.7
265.09760	16.3
267.11267	7.5
277.09674	2.7
278.10522	10.0
279.08130	3.5
279.11288	15.2
280.12158	3.1
293.09195	8.8
293.12808	6.8
295.10690	6.0
295.14252	4.3
297.12213	5.0
307.10675	4.3
309.12271	5.8
311.10312	2.3
312.11121	12.1
324.11029	3.0
325.11850	10.5
327.13397	68.8
328.13672	2.6
335.10284	4.8
337.11670	4.3
339.13379	87.9
339.17538	4.1
340.14114	3.0
353.11255	11.5
354.11856	2.7
367.12881	85.6
368.13620	9.0
369.14059	3.3
385.13840	5.3
399.15530	12.3
476.17859	3.3
508.20804	100.0
509.21268	3.3
540.23065	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	539.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	12.3
57.03411	8.3
66.02874	7.3
67.05499	25.6
69.03429	17.9
69.07066	18.6
70.06593	64.0
70.07182	21.6
71.05003	14.1
75.24187	7.6
79.05507	17.2
81.03410	7.6
81.07053	100.0
83.04964	9.3
83.08611	7.5
85.02899	14.4
85.06551	39.3
91.05487	22.4
93.07036	58.2
95.04978	20.6
95.08600	57.9
97.02913	12.9
97.06523	7.8
99.08135	6.3
105.07031	36.0
107.04970	7.5
107.08605	34.2
109.06519	12.2
109.10156	45.1
111.08092	9.6
117.07011	11.7
119.08571	25.4
120.08086	6.3
121.06495	16.9
121.10136	35.3
122.06809	10.5
123.04455	25.6
123.08115	8.5
123.11717	28.3
125.09622	6.6
125.57569	6.9
131.08557	14.3
133.10123	20.0
135.11678	14.4
137.06007	19.9
137.13345	10.0
139.03905	19.0
139.11183	10.7
145.10127	11.8
147.04462	11.2
147.11717	9.6
149.09795	7.5
151.03987	13.0
151.11142	12.1
153.01839	17.2
157.10097	12.0
159.11714	11.6
161.13361	9.5
167.07005	11.5
173.13290	9.8
175.07541	8.3
175.70529	6.5
177.05464	12.9
189.16409	10.9
201.16454	8.1
203.17970	7.5
213.16415	14.7
216.90701	6.8
231.17474	14.7
249.18607	17.0
267.19595	17.0
273.65469	6.2
287.23862	8.1
305.24829	11.7
323.25983	10.4
325.99728	6.4
507.19138	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	539.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05226	7.4
52.19411	7.1
55.05510	22.7
57.54017	9.3
57.89095	8.1
67.05500	37.4
69.03425	27.9
69.07054	25.0
70.06593	19.3
71.02779	21.2
71.04989	10.6
76.00664	7.7
79.05495	24.6
81.03407	28.6
81.07069	100.0
83.04987	18.8
83.08601	11.5
85.02897	31.6
85.06548	17.5
91.05485	25.8
93.07059	58.9
95.04950	40.8
95.08599	50.7
97.02891	14.9
97.06530	8.0
97.10177	8.8
99.04450	10.1
99.08093	8.9
105.07011	33.7
107.08568	38.5
109.02890	13.0
109.06537	13.5
109.10173	37.1
111.08124	9.0
113.06016	10.8
119.08588	30.4
121.06502	22.8
121.10159	44.9
123.04441	19.6
123.11722	36.8
127.03898	16.8
129.05496	11.4
129.07014	9.9
131.04956	10.0
131.08566	11.5
133.10152	29.6
135.11722	16.4
137.05989	86.0
138.06328	12.3
139.03938	19.1
139.11208	11.6
145.10120	21.9
147.11693	26.9
148.78159	8.6
149.05919	11.1
149.13249	17.7
151.03880	9.3
157.06544	10.1
161.06007	14.1
161.13266	14.3
165.12852	9.7
171.11633	12.2
173.13290	17.0
175.07515	14.1
175.14978	8.1
176.07903	10.4
177.05542	10.6
187.14922	10.3
189.09135	36.6
203.17966	12.0
213.16437	12.9
231.17503	14.4
237.03030	8.5
237.18465	9.6
249.10370	11.8
249.18520	26.4
252.10863	11.5
263.11819	44.3
267.19489	50.7
287.05490	26.1
288.05923	31.2
289.06192	47.2
289.08795	8.6
290.06326	29.7
291.06650	20.8
291.11356	12.2
305.24750	17.4
312.13080	10.5
323.13760	14.5
323.25873	17.5
327.13687	16.5
336.11261	9.7
337.11542	9.8
339.13467	27.3
361.02045	9.9
367.12997	54.1
368.13831	18.8
377.15884	20.7
508.14368	9.3
508.20856	48.0
539.28339	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	539.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.3
55.05497	7.6
57.03420	3.4
57.07071	8.2
57.49650	2.3
63.29768	2.2
67.05500	21.3
69.03448	5.5
69.07059	22.0
70.06580	5.8
71.04984	13.4
71.08604	2.3
71.10648	2.5
71.58049	4.1
79.05500	12.4
81.03415	4.5
81.07055	41.2
83.04979	29.3
83.08607	4.5
85.02894	9.8
85.06539	18.8
89.63132	2.6
91.05449	15.2
93.07040	26.9
95.04971	21.2
95.08607	35.2
97.06528	8.2
99.04426	2.9
99.08073	6.3
105.07005	23.5
107.08598	27.7
109.06520	8.8
109.10139	27.6
111.11710	2.5
113.05988	12.0
119.08593	19.0
121.06495	3.3
121.10155	22.1
123.04427	4.2
123.11694	24.8
125.09614	3.6
127.11184	6.3
129.07007	2.8
131.04918	3.2
131.08574	11.0
133.10130	15.4
135.08160	3.3
135.11708	12.1
137.05937	12.1
137.09618	5.5
137.13246	7.1
139.03879	3.8
139.11212	4.7
141.12756	8.5
145.10106	13.7
147.11713	12.7
149.09634	3.8
149.13258	8.0
151.03961	5.1
151.11159	2.8
153.01772	2.6
153.12659	4.0
155.10626	3.0
156.08067	2.4
157.10057	3.4
159.11652	5.4
161.13258	5.5
165.12743	4.4
167.07071	3.1
167.10675	4.4
173.13228	5.2
175.14801	7.1
177.16405	7.6
183.13885	3.5
185.13298	2.5
187.14684	4.0
189.16399	4.6
191.14211	2.4
199.14761	3.0
201.16402	9.8
203.17909	5.3
203.32729	2.2
213.16379	5.7
221.19034	8.2
225.10303	3.1
237.10258	9.2
238.11513	2.3
249.10248	8.5
250.10887	3.9
251.11711	14.3
253.09671	19.2
263.11829	2.8
265.09729	17.0
267.11249	7.2
269.22583	4.1
274.54504	2.4
277.09760	3.5
278.10410	6.3
279.07971	3.8
279.11353	12.1
280.12064	4.7
287.23691	7.1
293.09131	8.3
293.12762	7.2
294.09747	2.6
295.10852	5.4
295.14276	2.3
305.24579	13.1
307.10660	2.6
309.12222	6.1
311.10144	3.8
311.13800	2.8
312.11002	13.8
323.25851	10.9
325.11819	13.9
327.13409	55.7
335.10187	3.4
337.11813	2.6
339.13364	85.6
340.14304	3.5
341.26920	12.4
353.11221	11.6
359.27893	9.2
367.12891	79.9
367.17468	5.0
368.13718	7.8
385.13934	4.2
399.15366	12.6
476.17801	3.1
508.20834	100.0
508.28342	5.2
540.23267	4.9
561.47284	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1702
Annotation	Agrostonidin
Peak:m/z	Relative Intensity
50.84567	1.0
51.49158	0.9
52.59616	1.1
53.03915	1.1
66.62576	1.1
66.92438	1.0
67.05510	1.5
70.48882	1.5
70.49232	4.1
74.40686	1.0
79.05500	1.5
81.07059	1.4
81.78920	1.3
91.05475	1.8
93.07039	1.0
95.04948	1.9
98.20829	1.6
103.05495	3.0
105.07025	3.0
107.04948	12.3
121.06508	1.4
123.00773	2.2
123.04395	2.8
131.04935	23.3
132.05743	1.2
133.06502	3.2
135.04355	1.5
137.05971	7.8
147.04408	1.8
149.05978	1.1
152.01073	4.5
153.01797	1.8
153.06963	1.2
158.21017	1.1
159.53734	1.2
161.05972	6.9
165.92506	1.1
168.05751	2.2
170.02119	6.2
171.08087	4.9
179.08784	1.3
181.06458	1.3
183.08105	4.6
194.07245	1.8
195.08118	2.7
197.06042	2.7
209.06039	1.7
211.07501	5.4
213.05531	1.2
224.08324	2.7
227.10719	1.7
229.08614	10.1
239.07121	2.1
240.07892	2.3
242.05748	1.6
253.04950	1.8
255.06528	57.2
255.10320	2.5
256.06961	1.3
270.05222	1.6
283.06018	30.3
284.06720	2.7
285.07571	62.4
286.08008	1.8
295.55545	1.3
299.09189	2.6
403.11948	3.1
415.12018	2.3
433.12805	2.3
483.56976	1.1
539.17004	100.0
540.17554	3.7
550.93896	1.3
563.60870	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08165	17.3
67.05485	1.8
69.07036	1.8
71.07362	7.2
71.19498	4.3
81.07055	4.9
86.09706	56.1
93.07070	2.5
95.08624	1.9
98.98483	3.4
104.10745	100.0
106.11708	2.0
124.99998	28.8
154.68216	1.6
174.96696	2.0
184.07347	93.8
190.82872	1.6
203.18289	1.8
520.33978	9.9
538.35236	30.9
538.43201	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	539.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56082	0.8
61.64450	0.6
65.03945	6.5
68.83887	0.7
68.99784	1.1
71.51020	0.6
71.58745	1.5
81.03405	2.3
91.05465	1.0
104.84399	0.8
111.04449	6.3
119.04919	0.8
121.02869	100.0
121.03901	4.3
122.03191	1.4
137.02335	26.3
137.05977	4.6
151.03920	0.9
151.07487	0.9
165.05505	0.6
198.14952	0.8
220.89674	0.7
237.05502	1.0
247.07483	3.7
263.03387	2.3
265.05011	1.1
269.04416	1.2
271.07559	2.1
275.07022	4.5
277.08810	1.8
281.04453	2.0
283.06012	2.8
289.08627	1.0
299.11682	0.8
303.06522	6.8
317.08112	1.5
327.06570	3.9
331.06024	5.9
339.13324	1.5
345.07605	5.1
355.06009	3.9
356.06702	2.5
359.05414	1.5
373.07098	10.9
374.07355	1.0
383.05484	2.8
384.06458	1.6
399.15308	2.1
401.06558	39.3
402.06946	1.7
539.09863	1.6
539.28223	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.5
57.03410	0.6
61.02907	1.5
69.03426	2.5
69.28923	2.5
69.29356	2.9
71.32259	0.5
73.02922	0.7
81.03418	0.8
85.02898	7.0
91.03944	0.6
94.04200	1.5
97.02892	2.5
97.25431	0.5
103.05463	4.8
107.04926	1.4
109.02895	0.9
109.06449	0.7
119.04918	0.7
121.06495	0.5
122.03645	4.6
127.03900	1.0
131.04921	14.3
134.51067	0.4
135.04424	0.7
137.05968	100.0
138.06302	0.9
145.04892	1.1
145.06464	0.8
147.04373	1.4
148.05128	0.4
149.05974	1.9
151.07556	1.5
157.06490	0.9
163.07516	6.9
165.05492	1.8
175.07533	1.4
177.05484	1.7
178.06255	0.5
179.06982	0.8
187.07561	0.5
189.09085	0.6
203.08600	1.4
205.08618	0.5
223.09616	1.9
231.07979	2.8
232.08784	0.6
248.08340	1.3
259.07547	1.7
260.08328	0.6
263.10614	4.3
273.09082	0.5
276.07721	1.2
281.11664	0.7
291.10123	7.2
295.13239	0.6
305.11752	2.7
309.11169	1.0
323.12735	9.0
341.13818	30.9
342.14035	0.7
359.14865	14.3
532.54797	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.5
54.03460	0.8
55.01867	1.2
55.04239	0.7
56.08352	0.4
58.06577	0.4
61.73045	0.4
63.44665	0.4
68.05030	0.5
68.99780	2.4
70.06590	100.0
70.23143	1.9
71.06925	0.6
78.91391	0.4
79.01888	0.6
79.05480	1.0
81.03429	0.8
81.07060	0.7
82.39683	0.3
85.02904	0.8
91.05479	0.9
93.07053	1.0
95.04982	0.7
98.20765	0.5
103.05463	1.3
105.07050	1.0
107.04944	1.6
114.78947	0.4
119.04961	1.0
121.06483	3.6
123.04434	7.7
131.04958	0.8
133.06483	1.3
135.04405	3.6
137.02319	3.5
137.05988	1.0
143.03389	0.8
147.04395	4.5
149.05995	8.0
151.03925	0.6
153.01822	10.3
153.02963	1.0
159.04427	1.3
161.06007	3.3
165.05513	2.2
173.05913	0.5
175.07654	0.7
177.05466	69.8
178.05806	1.2
189.05481	4.6
207.06566	0.6
234.11234	3.0
236.05574	0.5
301.03323	0.6
303.04984	1.3
311.09161	3.4
319.04498	0.8
327.04782	1.1
329.10193	3.5
344.07571	2.2
345.06030	1.5
362.08575	0.6
368.14981	0.6
390.82199	0.5
469.93002	0.4
481.11383	5.5
534.06567	0.5
538.17047	27.9
539.17352	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.5
55.01864	3.7
57.03439	1.3
61.02906	2.2
65.43412	0.9
67.05489	1.5
68.99783	2.3
69.03442	7.7
71.04972	1.0
71.58701	1.8
73.02914	2.2
79.05484	2.4
81.03413	6.8
81.07049	2.5
84.49894	1.0
85.02901	19.3
86.09759	1.4
87.00869	4.9
87.31380	0.9
90.06746	1.0
90.67991	0.8
91.05441	1.7
91.55174	0.9
91.77460	0.9
95.04953	3.7
95.08649	1.2
97.02887	7.6
99.04404	2.2
99.05604	1.1
103.05460	3.1
105.01865	5.4
105.07024	2.9
107.04929	3.5
109.02888	8.1
109.06500	4.0
119.04952	1.8
121.06482	2.0
123.04428	64.4
127.03907	11.6
129.01814	1.9
131.04945	3.0
133.06485	1.2
135.08057	3.5
137.02318	3.1
137.05975	100.0
138.06342	1.8
145.04924	5.0
145.06465	1.8
147.02921	1.8
147.03102	2.0
147.04399	13.9
149.05959	4.7
151.03954	1.6
151.07472	2.6
159.02910	4.9
159.04182	1.0
161.05949	5.6
163.07539	20.2
165.05486	11.6
167.06969	1.4
173.05945	2.0
175.07430	1.4
177.05405	2.0
179.07065	2.7
185.06076	1.0
187.07529	1.6
189.05431	7.3
231.06653	2.3
273.11191	14.5
285.11121	1.9
297.11209	10.6
315.12326	4.9
335.07767	1.5
339.12234	8.3
358.07654	1.2
363.12241	4.7
381.13318	10.0
385.10901	1.7
485.15228	2.1
485.23669	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01868	2.2
55.05511	21.1
57.03421	7.5
57.07076	36.4
62.09775	1.4
63.31056	1.2
65.03954	1.8
67.05177	2.2
67.05507	32.0
67.76762	1.4
69.03432	3.5
69.06718	1.7
69.07067	18.6
69.46487	11.7
71.04997	3.7
71.08627	21.2
72.74502	1.3
79.05489	20.1
81.03418	41.9
81.07058	47.2
83.04988	6.8
83.08617	32.0
85.02902	23.9
85.06537	2.6
85.10187	14.2
91.05476	20.0
93.07056	12.2
95.04966	21.4
95.08604	39.5
97.06561	3.6
97.10161	19.0
98.21445	2.5
105.07040	18.1
107.04931	3.8
107.08589	6.3
109.06541	3.0
109.10149	17.6
111.04438	2.1
111.08082	8.7
111.11721	4.8
113.06012	2.8
119.06207	1.5
119.08578	14.7
121.10133	6.6
123.11727	7.2
129.06984	6.8
131.08565	7.2
131.24641	1.3
133.06508	1.6
133.10155	5.7
137.13271	3.5
142.07742	2.5
147.11690	11.2
149.09621	4.5
151.14799	2.0
157.10141	8.9
165.12823	2.6
165.16414	1.9
175.01645	1.3
175.11154	11.6
193.10426	1.6
193.12250	46.4
211.13284	51.7
222.32962	1.2
235.24303	1.6
249.15170	1.5
267.15869	6.0
299.06076	1.4
327.29053	4.6
519.40741	2.6
537.41553	100.0
538.42358	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	34.8
57.03417	32.7
57.07067	100.0
67.05500	72.5
69.07069	45.3
71.08630	56.2
79.05466	73.7
81.03426	66.9
81.07043	88.2
83.08608	42.3
85.02869	27.4
85.10178	59.8
91.05473	60.0
93.07026	64.0
95.04977	33.8
95.08600	83.4
109.10138	57.1
129.06941	29.7
147.11674	51.2
189.12753	39.6
193.12361	34.1
207.13756	44.5
211.13260	56.4
230.89130	56.7
263.18204	27.4
313.27484	55.1
332.11444	30.9
519.40436	50.8
537.40955	92.4
545.35266	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3033
Annotation	Lys Phe Asp Lys
Peak:m/z	Relative Intensity
52.58128	0.6
55.05511	1.1
59.03975	0.6
67.05497	1.3
69.43635	2.6
69.44064	2.9
69.56672	0.5
78.64130	0.5
79.05504	1.0
81.03437	0.7
81.07047	0.8
83.08610	0.7
93.07072	0.6
95.08600	1.1
96.50356	0.5
109.10127	0.7
129.94872	0.7
158.49911	0.5
167.05583	0.6
195.16817	0.6
537.30334	100.0
538.30493	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	537.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.6
54.27038	1.6
54.85873	1.8
55.01867	2.4
55.05509	23.5
57.03429	6.7
57.07074	54.2
59.05013	1.8
59.10521	1.8
66.41630	1.6
67.05502	41.2
69.03420	2.9
69.06709	2.8
69.07064	18.1
69.38152	13.2
69.38556	5.0
71.04990	3.3
71.08630	35.4
79.05487	23.4
81.03417	50.2
81.07054	46.1
83.04972	10.7
83.08623	32.7
83.90741	1.7
85.02906	27.6
85.06552	4.6
85.10194	19.3
85.92331	1.7
91.05470	25.0
93.07032	16.2
95.04971	22.6
95.08601	39.1
97.02900	3.8
97.10163	14.0
105.07019	21.5
107.04932	2.8
107.08601	5.8
108.32893	1.8
109.06519	3.4
109.10177	17.8
111.04476	2.4
111.08087	7.9
111.11742	5.4
113.06001	2.4
119.08591	16.4
121.10156	8.9
123.11723	8.4
125.13368	1.9
129.07021	6.5
131.08551	9.7
133.06476	3.3
133.10141	6.2
137.13280	2.7
145.10178	1.9
145.26833	2.3
147.11717	11.3
149.09592	4.4
157.09077	1.9
157.10138	10.3
175.11180	12.2
176.07242	1.8
193.12231	54.7
211.13313	54.9
211.15280	3.6
218.28784	2.8
228.00047	2.1
228.57889	1.9
253.25385	5.0
267.16058	5.7
327.29071	4.6
370.29071	1.9
511.31903	2.0
515.49640	2.2
519.39465	2.1
537.41534	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45858	1.2
55.01875	1.7
63.06608	1.0
65.03939	1.8
68.05579	1.0
69.68092	2.8
69.68517	5.7
75.21776	1.1
79.05496	3.2
81.07063	1.4
85.02920	1.4
91.04967	1.0
91.05495	4.8
94.04206	2.9
95.04973	1.5
98.20768	2.2
103.05458	2.4
105.07030	4.2
107.04958	3.9
108.79904	1.1
115.05496	3.0
117.07053	2.3
119.04938	2.4
119.08592	3.5
121.02841	2.4
121.06544	1.6
122.03660	7.5
127.04002	1.6
128.06233	1.5
129.07010	3.1
131.04909	3.2
132.05717	2.2
133.06497	2.8
137.05980	100.0
145.06529	1.2
146.03674	1.4
146.07240	1.3
147.04448	1.8
147.08075	3.0
149.05968	1.6
151.03963	1.3
151.07550	3.4
153.01909	1.4
156.17488	1.1
157.06526	1.5
159.08063	2.1
160.05176	3.0
161.06010	11.5
162.06810	1.0
163.07524	1.8
165.07030	4.1
167.05649	1.4
167.07051	3.5
174.06747	1.3
175.07571	21.5
177.07001	1.9
178.07805	3.0
179.08519	1.8
187.07573	6.0
189.09140	1.4
191.07042	1.6
191.08577	1.5
193.06474	3.3
193.08604	3.3
194.07294	6.9
194.08846	1.2
195.08055	1.3
199.07556	1.2
202.39203	1.2
203.08640	1.2
205.06541	3.1
206.07310	1.4
211.07558	2.3
217.06555	1.2
218.07175	1.2
219.08131	1.8
221.05945	3.8
222.06808	4.8
223.07750	1.5
225.09068	1.5
231.08119	1.6
234.06815	3.0
235.07544	2.6
237.09175	4.7
247.07547	1.5
249.09195	3.6
250.06374	2.2
253.08575	2.2
254.09306	1.3
259.07614	1.5
260.08301	1.2
265.08597	15.3
266.09470	1.5
267.10068	2.3
271.07483	1.6
277.08655	4.2
281.08160	1.4
282.08807	2.5
283.09680	3.8
283.73993	1.3
285.11203	7.7
291.10010	1.8
294.08643	1.3
295.09515	2.5
297.11230	24.2
300.06299	1.7
303.10178	4.0
309.11359	5.3
315.12164	1.2
321.11185	2.5
323.12677	2.2
335.12790	3.9
339.11658	1.1
341.13879	3.2
353.14008	1.8
367.13101	1.4
369.22733	1.3
399.16116	1.9
427.15436	3.0
439.15405	3.3
457.16312	2.0
459.17972	4.3
471.17908	3.6
537.33759	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01867	3.3
55.05499	3.9
62.19065	1.4
65.03918	2.6
67.05506	10.1
68.76289	1.5
69.03416	4.5
69.07072	3.4
69.39442	15.3
70.06601	1.7
71.04976	3.6
73.06526	1.4
73.74126	1.4
75.70458	1.5
79.05485	8.4
81.03412	2.7
81.07059	14.3
83.04972	1.8
83.08608	1.8
85.02901	4.9
85.06541	3.9
89.76039	1.5
91.05467	19.0
93.07031	7.0
94.04195	4.0
95.04979	4.0
95.08617	9.7
97.02897	3.1
97.06506	3.1
99.04453	2.5
99.08086	1.6
103.05477	5.5
105.07040	14.8
107.04966	6.0
107.08579	4.3
109.06499	2.5
109.10168	4.8
111.04417	2.1
115.05454	6.7
117.06983	2.5
119.04951	6.9
119.08575	5.8
121.06522	2.8
121.10133	7.6
122.03662	6.5
123.04431	2.0
123.11721	2.2
127.03911	5.8
128.06190	3.7
129.06976	3.7
131.04932	9.3
131.12099	1.4
132.05681	2.7
133.02882	1.9
133.06448	7.7
133.10124	5.5
135.04431	2.0
135.11688	9.0
137.05975	100.0
141.06992	1.8
145.06421	3.5
147.04401	6.8
147.07991	2.2
147.11615	1.5
149.05974	4.3
149.13249	2.3
150.50586	1.5
151.03909	3.2
151.07567	2.6
153.01826	15.2
159.08063	5.1
160.05190	2.9
161.05977	18.3
161.13263	2.3
163.03938	1.8
163.07539	4.2
165.06976	2.3
167.07040	3.5
171.08061	2.2
172.05234	2.2
175.07550	24.2
178.07825	1.9
179.07028	4.6
179.08539	2.6
184.05247	1.8
185.06021	1.9
187.07515	14.9
189.05547	1.7
189.07037	1.8
189.09123	2.6
190.07785	3.8
191.07047	2.5
191.08577	6.0
199.07610	11.3
201.09126	2.0
202.07817	5.7
203.08562	10.2
204.09320	2.7
205.06482	3.2
205.08383	1.7
205.10266	1.9
215.08624	4.0
217.06439	1.8
217.08629	1.7
217.19533	5.1
218.07257	7.3
219.08047	13.3
220.08713	2.8
221.05756	1.8
221.09552	3.5
231.08110	9.5
232.08783	3.0
233.09584	7.1
235.07513	5.2
235.11150	1.6
235.20609	3.1
236.08330	2.5
236.58455	1.6
245.06122	1.5
246.06764	4.5
247.07449	6.8
248.08591	3.4
249.09093	8.9
250.10081	2.4
251.10696	8.9
253.08578	1.6
253.21677	5.8
259.07590	4.7
260.08337	2.5
261.09052	12.5
262.09836	2.0
263.10605	3.6
264.07785	2.7
265.08600	4.0
271.22592	7.2
276.07788	2.2
277.08633	5.5
278.09274	4.5
279.10214	9.1
280.07288	1.5
280.10770	1.4
281.11774	2.4
283.09650	1.6
285.11301	3.5
289.08566	9.1
290.09164	2.7
291.07071	1.6
291.10074	9.4
293.11752	8.2
297.11227	3.8
299.06277	2.0
300.06451	1.7
307.09753	1.6
309.11176	24.4
311.12775	16.8
315.12308	2.7
321.11212	32.0
323.12729	7.4
537.19232	2.7
537.26526	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	537.212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.9
55.05516	2.6
55.24797	1.1
67.05499	8.0
69.03423	3.5
69.07061	3.6
69.30839	1.5
69.31161	13.8
70.06592	1.6
71.04986	1.8
79.05502	8.4
81.03412	3.0
81.07053	12.0
83.08613	2.2
85.02898	5.9
85.06531	2.8
86.09678	1.9
87.00858	1.6
91.05452	13.9
93.07018	5.8
94.04172	4.1
95.04967	3.1
95.08601	7.5
97.02874	2.5
97.06535	1.8
98.20714	2.2
99.04447	1.5
99.57674	1.1
103.05468	5.3
105.07012	12.6
107.04951	5.3
107.08584	5.8
109.02854	2.0
109.06486	2.7
109.10139	2.8
111.04369	1.4
115.05460	5.8
117.07033	1.1
119.04234	1.3
119.04961	8.0
119.08547	4.7
121.06531	4.7
121.10164	6.2
122.02831	1.4
122.03609	7.9
123.11716	1.3
127.03892	5.2
128.06184	2.8
129.06995	4.1
131.04906	9.6
131.08543	2.1
132.05724	3.1
133.02840	1.4
133.06483	8.9
133.10123	3.9
135.04456	1.7
135.11694	6.7
137.05975	100.0
143.04883	1.4
144.05667	1.7
145.06497	2.6
146.03622	2.7
147.04405	7.9
147.08066	3.9
147.11671	2.8
149.05980	5.0
149.13232	1.7
151.03903	5.0
151.07513	4.1
153.01828	16.6
155.04831	1.3
159.08084	6.2
160.05205	1.9
161.05991	19.7
161.13231	1.9
162.06808	1.4
163.07486	2.3
165.07040	1.8
167.07039	3.2
168.13882	1.3
171.08176	1.7
172.05185	2.9
173.06042	1.2
175.07552	24.8
177.05527	1.2
178.07759	2.7
179.07053	5.9
179.08351	1.2
184.05229	1.3
187.07507	12.3
189.06958	3.2
190.07755	4.9
191.07063	2.7
191.08511	7.6
194.07391	1.4
199.07507	12.2
202.07764	6.1
203.08533	7.9
204.09291	2.1
205.06487	3.0
206.07330	2.3
207.08185	1.8
215.08615	5.3
217.08414	2.0
217.19519	5.4
218.07237	7.4
219.08078	13.0
219.10161	1.9
220.08836	2.3
221.06187	1.3
221.09616	4.3
225.09140	1.8
231.08025	8.7
232.08783	3.8
233.09673	6.8
234.06718	2.1
235.07524	5.3
235.20888	2.0
236.08269	1.2
237.09071	1.8
238.12830	1.3
243.08194	1.5
245.06067	1.9
246.06784	4.4
247.07532	4.4
248.08394	3.3
249.09117	5.1
250.09894	3.4
251.10776	9.5
253.21657	4.8
259.07550	3.2
260.08301	2.5
261.09143	9.7
262.06137	1.4
263.07104	1.6
263.10669	3.3
265.08597	4.3
271.22665	5.4
274.06146	1.9
276.07883	1.9
277.08511	5.7
278.09314	6.6
279.10168	11.8
280.11087	1.3
283.09674	1.4
285.11246	2.8
289.05762	2.0
289.08514	8.6
291.10077	8.8
292.10727	1.8
293.11703	8.7
295.13278	2.0
297.11160	5.2
309.11191	27.0
311.12769	14.3
313.11304	1.4
315.12323	3.4
321.11185	34.0
322.11920	1.5
323.12778	6.8
335.12750	2.0
347.12277	1.4
376.88312	1.4
439.14914	1.3
507.20074	1.9
537.19366	2.4
537.26715	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	536.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08173	10.0
67.05503	3.7
71.07378	3.9
71.41660	3.4
81.07050	2.6
86.09708	42.9
91.05798	6.1
93.07071	2.3
98.98451	2.4
104.10748	62.3
121.10099	1.7
125.00007	23.3
167.05573	7.0
184.07343	100.0
233.14246	1.7
241.04916	4.8
266.00659	1.6
283.02927	2.4
299.06201	11.6
302.92981	1.5
415.03897	3.0
448.49921	1.9
471.67142	1.9
500.30838	2.8
518.32520	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	536.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.2
56.05045	0.9
56.24251	0.7
58.06601	0.9
58.72775	1.0
60.08165	13.8
67.05500	2.0
71.01854	2.3
71.07381	6.6
79.05487	2.0
81.07052	2.0
86.09705	39.6
91.05824	1.8
95.08611	1.4
98.16381	0.8
98.98463	3.8
104.10744	100.0
105.44156	0.7
124.99107	1.4
125.00010	22.6
137.18222	0.9
142.07872	0.9
143.00980	0.9
150.39850	0.9
167.05554	2.1
184.07343	57.0
240.09976	0.9
258.11017	0.8
283.03394	1.0
299.06104	3.8
321.76907	1.0
344.97592	1.1
415.03467	1.1
425.36938	1.0
492.80423	0.8
518.32031	4.5
536.33636	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	536.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61531	9.7
55.05498	21.1
57.03417	9.5
60.23393	7.6
64.04982	8.2
64.92371	8.4
67.05492	32.7
69.07057	22.7
71.08625	14.8
71.59328	16.2
71.59692	11.0
79.05483	12.6
81.07037	35.3
83.08611	24.1
91.05815	11.0
93.07025	14.9
95.08588	21.3
107.08601	11.0
111.11664	9.3
121.10126	14.7
135.11690	12.4
146.06013	8.9
149.13199	10.3
206.41853	9.4
247.24210	9.7
265.25333	28.7
299.06100	14.7
339.28964	17.1
361.18704	18.2
536.32703	100.0
536.40033	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	536.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08166	6.1
67.05499	1.6
70.02471	0.7
71.07364	3.2
73.04745	0.9
76.57642	0.9
81.07032	2.0
86.09702	26.9
91.05822	1.7
93.07039	1.1
96.88779	0.7
98.20734	1.6
98.98450	2.5
103.68767	0.7
104.10731	2.6
107.08597	0.8
110.99922	0.7
125.00002	19.7
143.01062	1.1
152.93791	0.9
165.35365	0.7
167.05589	2.1
184.07338	100.0
283.02936	1.1
299.06158	3.4
344.97302	0.8
500.31363	1.3
518.32129	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	536.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82742	3.0
55.01866	5.3
67.05499	5.9
69.03421	7.7
69.07082	23.0
70.81098	5.5
70.81433	6.1
71.04975	7.1
73.02931	4.3
76.10418	3.6
79.05481	11.1
81.03420	5.1
81.07043	15.4
83.04971	13.2
84.22169	3.3
85.02889	6.7
87.56024	3.2
91.05477	13.1
93.07049	14.7
95.04977	8.8
97.06535	39.1
99.04461	18.0
105.07037	20.1
107.08577	9.8
109.06494	9.7
117.07053	4.6
119.04914	5.7
119.08591	5.2
121.06534	18.8
121.10162	6.0
125.06001	29.2
127.03914	3.7
129.06979	5.5
131.08568	9.2
133.10104	7.4
135.08044	4.0
137.05991	27.9
138.06380	4.8
143.07027	28.3
143.08563	6.0
145.06450	6.4
145.10138	53.1
153.01822	13.5
154.02209	4.9
158.07312	5.3
159.08075	4.8
159.11696	13.4
161.06000	6.0
163.07497	6.2
163.11191	29.2
167.05714	4.3
167.07071	13.3
167.67395	3.7
168.07379	6.8
169.10081	8.4
173.09630	36.4
175.07562	5.8
187.11185	44.4
191.10707	12.9
197.09546	4.7
203.03398	8.4
205.12228	35.9
206.05800	4.5
209.11783	4.2
215.10667	38.8
221.08084	37.0
222.08446	35.4
224.00410	3.6
233.11768	38.0
251.12772	25.2
269.04572	4.0
269.13879	9.2
281.17780	3.6
287.05511	66.3
288.02612	5.3
288.05817	100.0
299.06085	5.5
325.16632	8.0
389.19397	6.1
450.11105	13.3
536.10956	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	535.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
55.01878	3.6
57.07070	0.6
60.19500	0.5
60.41751	0.5
69.03436	0.8
70.13332	2.1
71.04971	0.6
74.00660	1.8
81.03419	0.9
81.07066	1.3
82.06580	0.6
84.04510	3.9
85.02927	1.3
85.04023	0.6
90.05524	3.2
91.05468	4.0
92.01690	0.6
93.05775	0.7
93.07042	8.9
93.65977	0.5
94.06569	1.9
95.04973	1.9
97.02882	0.6
103.05469	4.4
105.07072	0.7
107.04945	6.4
121.06503	84.7
122.06879	0.9
126.03738	17.8
126.05521	2.0
127.04038	0.9
127.05034	3.4
130.05035	1.4
133.06578	0.6
135.04459	1.1
137.05978	1.6
140.05270	1.0
144.06575	1.9
145.06091	1.7
147.04433	0.8
147.08044	0.9
149.07446	1.4
151.04066	0.6
152.05315	1.3
153.01863	0.8
159.07761	0.9
163.03915	1.8
167.07002	0.9
180.04771	3.1
185.03763	2.9
185.08385	0.7
191.04861	6.1
193.04959	0.6
193.07991	1.1
198.09151	15.7
211.09650	0.8
213.11481	26.5
214.12228	6.7
216.13869	2.0
223.09621	1.0
231.04335	6.3
235.09673	1.3
246.09480	100.0
247.09766	1.3
248.11092	1.2
253.10733	1.6
257.08084	1.5
261.12708	0.8
272.11044	2.4
277.10596	0.9
285.07422	0.7
286.07941	1.0
287.05460	9.4
287.08176	1.0
289.13660	0.9
299.12228	1.2
300.10529	8.4
302.08008	1.4
317.13196	4.2
337.12982	0.7
355.14767	1.6
406.17966	6.0
416.05835	0.5
428.16122	0.9
509.59262	0.6
535.20911	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3394
Annotation	Taumycin B
Peak:m/z	Relative Intensity
54.62349	1.6
57.03428	3.2
57.07060	2.5
63.40619	1.3
67.05491	5.4
69.07066	2.8
71.37305	2.5
78.65602	1.5
79.05491	3.5
81.07049	5.4
91.05486	3.4
93.07050	5.3
95.04976	3.1
95.08617	7.1
105.07040	4.3
107.08588	4.1
119.08573	4.1
121.06326	2.1
121.10133	2.5
123.11729	3.0
131.08551	3.9
133.10120	3.8
135.11757	1.8
145.10141	3.4
147.11696	1.6
157.10161	1.9
159.11714	2.7
161.13266	3.0
171.11697	2.1
173.13412	1.6
207.07057	1.6
207.48241	1.7
227.18091	2.0
240.27985	1.6
475.31903	19.2
516.33508	2.6
535.33954	100.0
536.34192	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.4143
Annotation	Toxicol B
Peak:m/z	Relative Intensity
55.05510	15.9
57.03427	1.9
57.07070	3.9
58.92245	2.0
66.26575	1.9
67.05502	30.2
69.03406	2.0
69.07069	12.4
71.04990	2.4
71.58822	2.2
71.59228	2.5
79.05495	11.4
81.07061	23.4
83.04961	2.4
83.08600	6.4
85.56731	1.9
91.05472	7.1
93.07027	10.0
95.04944	3.1
95.08599	19.9
97.10174	5.3
105.07026	8.8
107.08595	8.4
109.10155	13.7
116.80066	1.9
116.85099	2.2
117.07027	3.9
119.08579	8.1
121.10155	7.9
125.09633	2.4
129.07043	5.8
131.08549	8.5
133.10129	8.6
135.11673	3.4
141.06993	6.9
142.07817	3.1
143.08592	12.1
145.10066	11.0
147.11691	5.3
149.13319	2.5
155.08560	17.4
157.10165	12.4
159.11705	5.9
165.06976	3.7
167.05632	3.0
167.08603	8.4
167.58534	2.0
168.09303	2.5
169.10132	21.4
171.11690	11.2
173.13300	5.6
179.08527	3.0
180.78403	2.0
181.10117	9.9
183.11703	19.7
185.13260	7.9
187.14944	4.2
193.10139	7.6
195.11700	15.9
197.13264	14.4
199.14792	6.4
201.16447	3.0
207.11790	4.5
209.13280	12.0
211.14836	9.3
221.13179	4.0
223.14883	9.4
225.16411	9.1
235.14793	4.5
237.16449	7.1
239.17996	5.4
249.16383	2.6
251.18036	2.9
253.19261	3.3
267.20966	5.7
287.05609	8.3
299.06259	6.8
321.22186	3.8
337.25452	4.0
349.25381	3.9
351.26834	2.9
365.28683	3.8
391.30002	4.5
393.31509	3.4
409.31152	3.7
413.78946	2.5
447.32382	5.2
499.39343	7.9
517.40454	70.4
518.41107	2.7
535.34906	3.6
535.41479	100.0
536.41718	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	535.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	6.2
55.05527	3.6
55.72808	2.0
57.03424	8.8
57.03672	2.1
57.07081	14.0
61.02918	5.7
67.05499	12.1
68.99804	2.9
69.03436	11.5
69.91494	6.4
69.91907	7.0
71.04989	2.6
73.02919	4.3
76.03628	2.2
79.05461	2.7
79.34258	1.9
79.90833	2.0
81.03400	6.2
81.07042	2.8
85.02910	35.5
85.06542	28.0
91.05476	3.7
93.07051	2.4
97.02886	10.2
103.03939	4.8
105.07015	3.1
109.02834	6.1
109.06517	5.3
119.04951	2.6
121.02834	8.6
121.06559	2.9
123.04426	7.9
123.08012	2.9
127.03902	7.8
127.07523	4.5
128.06221	2.7
133.06517	3.2
135.04431	2.4
135.08099	3.6
136.10405	2.2
143.08543	3.4
145.04933	3.1
145.06552	3.5
145.46927	2.4
147.04436	26.2
147.08096	3.3
149.05992	2.9
151.03911	8.1
151.07526	2.3
152.23514	2.5
153.01822	6.8
153.05432	2.9
159.08087	4.2
161.05960	8.4
161.09602	3.0
163.03932	5.3
163.07465	5.3
165.05475	9.2
171.08061	2.6
173.05948	2.8
175.03894	5.3
175.07542	8.2
177.05492	5.3
177.09073	3.9
179.07050	2.6
185.05869	3.3
187.07516	5.5
188.04713	2.6
189.05443	4.6
189.09064	23.0
191.03409	2.8
191.07013	5.5
193.04935	5.6
193.08600	3.5
199.07581	6.8
201.05455	5.5
201.08994	2.9
203.07043	6.0
203.10712	3.9
205.08618	29.5
207.06532	2.7
207.10034	4.3
211.09677	18.6
213.05568	3.6
213.09132	3.1
215.07037	5.8
217.05022	4.4
217.08580	41.0
223.09653	44.7
227.07108	4.6
229.08566	13.1
231.10114	11.7
235.09659	98.7
236.10101	2.9
243.10216	5.4
247.09668	7.1
249.11127	2.8
253.10725	87.2
254.11038	3.4
255.10245	4.9
259.09680	19.1
265.10715	3.0
271.09647	26.5
273.11234	5.7
277.10718	100.0
283.09592	18.6
287.05518	68.9
288.05844	3.9
289.10684	55.4
299.05728	2.4
301.10703	40.2
307.11734	15.3
319.11761	45.8
331.11462	4.8
337.12909	37.5
343.11670	4.7
347.11258	2.8
349.12585	2.9
355.14212	22.9
361.12796	3.5
367.13885	5.2
373.14743	6.9
379.13635	3.0
380.76483	2.2
403.13873	2.6
415.13684	3.2
420.96271	2.6
433.14972	4.7
463.15894	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
53.27330	2.3
55.01868	7.4
57.03431	6.8
57.07071	14.6
61.02921	4.5
67.05508	13.5
69.03426	14.8
70.06586	3.5
71.05195	3.9
73.02932	3.0
79.05505	2.3
81.03410	6.5
81.07056	4.2
85.02905	39.8
85.06542	24.9
91.05473	3.9
94.38102	2.2
97.02890	16.2
100.42767	2.8
103.03973	6.5
105.06989	3.6
107.04925	3.0
109.02879	10.1
109.06529	4.1
119.04951	3.4
121.02844	4.9
123.04486	4.1
127.03893	10.6
127.07545	4.6
129.06982	2.7
133.02864	2.8
135.04376	3.4
137.05957	3.5
143.81116	2.5
145.05006	4.1
147.04398	31.9
147.08105	2.7
149.05991	2.8
151.03896	7.4
153.01735	3.3
155.08588	3.4
161.05959	5.5
161.09627	5.3
163.03937	5.8
163.07530	5.2
165.05444	6.5
167.07030	2.8
171.08089	4.5
173.05914	4.8
175.03900	3.2
175.07506	6.3
177.05498	6.3
187.03821	3.3
187.07544	4.9
189.05464	5.7
189.09070	25.5
191.03387	3.7
191.07050	4.4
193.04974	4.9
193.08592	5.9
199.07510	6.0
201.05606	5.0
201.09103	2.9
203.07010	6.9
203.10696	5.6
205.08589	32.4
207.10114	3.0
211.09622	17.6
213.05576	4.7
213.09126	6.7
215.06989	4.0
217.05164	4.1
217.08598	41.2
223.09625	40.7
229.08594	12.9
231.06625	3.8
231.10364	14.4
235.06000	3.8
235.09622	98.4
241.08585	4.1
243.10176	6.0
247.09662	10.0
249.11304	3.7
253.08449	2.7
253.10695	71.8
255.10228	5.1
257.08051	3.6
259.09631	16.8
265.10831	3.2
271.09631	29.9
273.11105	5.5
277.10715	100.0
283.09732	15.8
287.05478	58.9
288.05679	3.7
289.10675	61.5
301.10681	43.0
307.11798	13.5
313.10693	2.8
319.11758	40.2
331.11728	5.6
337.12833	36.7
343.11700	6.2
355.14114	27.2
367.13867	5.3
373.14758	5.9
379.13684	3.3
385.12637	4.8
397.13177	3.4
415.13983	3.6
433.14679	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	535.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.1
67.05486	6.6
69.03425	3.7
71.58620	2.5
81.03403	3.8
81.07048	4.1
85.02903	13.0
85.06548	9.9
85.07655	3.8
91.05461	2.9
97.02876	5.6
105.07049	3.0
107.08611	2.5
109.02860	2.4
109.06515	3.7
119.04891	2.6
123.04400	6.6
123.08051	1.9
127.03897	6.6
127.07571	3.2
137.02330	2.3
137.05966	3.6
139.03888	3.4
147.04424	4.9
151.03914	3.0
151.45216	1.7
153.01820	4.1
153.05351	3.2
161.05957	2.8
165.09105	6.1
166.97816	1.7
175.03877	2.4
175.07462	2.5
177.05551	2.3
193.08624	19.8
205.04950	3.9
205.08611	2.4
207.06543	3.4
211.09653	49.8
213.05537	3.2
216.08884	1.8
217.08496	3.2
223.04810	2.2
235.09630	8.8
241.04875	3.6
253.10675	6.4
271.09802	2.6
277.10760	5.8
287.05505	100.0
288.05847	5.2
289.10629	3.2
301.10840	3.1
319.11703	3.6
337.12802	5.3
355.13873	2.7
366.01895	2.1
510.21802	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	8.3
57.03436	5.7
57.07071	16.2
61.02913	6.9
62.64552	3.4
67.05501	11.1
69.03432	15.6
70.71519	12.8
71.04995	6.1
74.23573	3.6
81.03413	16.7
81.07059	4.4
85.02901	47.3
85.06544	22.2
86.10547	4.6
87.00818	4.7
91.05462	8.4
95.04997	5.0
97.02894	17.6
98.85757	4.7
103.03965	5.0
103.05533	4.1
105.06970	4.1
109.02888	14.6
123.04431	12.1
125.05846	3.9
127.03906	11.8
127.07507	5.0
133.06474	5.4
133.10127	6.3
135.04385	5.1
137.05986	11.3
139.03885	8.4
143.08505	5.6
145.04918	6.8
147.04407	30.7
148.00339	4.0
151.03896	8.4
153.01799	6.4
161.06068	5.9
163.03944	9.0
163.07529	6.1
163.52522	4.0
165.05478	5.4
171.07962	4.6
173.06049	5.0
175.03877	5.3
175.07588	8.9
177.05495	6.8
179.03400	12.0
185.06110	6.0
189.05457	4.6
189.09131	19.6
191.06979	7.6
193.05052	6.4
199.07625	4.1
201.05525	6.4
201.09064	4.1
203.07101	4.5
205.08614	29.4
207.10213	4.3
211.09694	15.6
217.08618	36.6
223.09694	40.0
229.08617	13.0
231.10211	9.0
235.07529	7.1
235.09663	94.1
247.09679	6.4
253.10699	68.6
253.13081	7.1
259.09680	18.0
271.09641	20.8
277.10718	100.0
283.09677	13.4
287.05515	51.2
287.08752	7.0
289.10727	51.4
293.11517	4.0
301.10742	32.5
307.11801	14.0
319.11801	36.5
325.10764	4.4
337.12909	35.8
355.14014	23.6
373.15060	7.8
388.19778	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	535.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.1
55.01871	0.2
57.03428	0.1
57.07058	0.2
67.01871	0.6
67.05492	0.2
68.99780	0.3
69.03413	0.4
71.61266	0.1
74.86082	0.1
79.05521	0.2
81.03397	0.4
81.07085	0.2
85.02916	0.7
85.06576	0.1
87.00849	0.3
88.33707	0.1
89.03885	0.2
97.02888	0.4
105.01761	0.1
105.07017	0.2
107.04938	0.4
109.02882	0.3
111.00786	0.2
119.04917	0.1
121.02807	0.1
127.03941	0.3
129.01929	0.3
135.04417	1.7
137.02341	0.5
146.35265	0.1
147.04410	0.2
153.01819	5.3
153.05392	0.1
159.02872	0.2
161.02328	0.7
163.03865	0.1
171.02910	0.9
179.03377	0.3
185.06039	0.2
189.05411	0.2
198.06822	0.1
199.03949	0.2
201.09108	0.3
203.03397	0.2
203.07086	0.2
213.05492	0.4
215.07167	0.2
217.08566	0.3
219.06499	0.3
227.07219	0.1
229.08583	0.2
231.04694	0.1
235.09631	0.1
241.04945	0.7
241.08586	0.2
243.06512	0.1
247.09712	0.2
255.10286	0.2
259.06036	0.1
259.09595	0.2
265.10828	0.2
269.04440	0.4
271.09503	0.3
277.10693	0.5
283.09656	0.4
287.05487	100.0
287.50098	0.1
288.05829	4.3
289.10751	0.5
295.09479	0.2
301.10657	0.4
313.10648	0.3
319.11801	0.5
325.10718	0.2
329.10019	0.1
331.11807	0.5
343.11661	0.5
355.11917	0.4
361.12598	0.2
367.14331	0.7
379.13770	0.2
383.79822	0.1
385.12711	0.3
403.13867	0.2
409.12878	0.1
421.14789	0.2
433.14935	0.3
445.14468	0.2
449.10620	0.7
463.15854	0.2
481.16199	0.2
535.10669	1.4
535.21045	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
57.03429	1.1
57.07055	1.7
67.01841	0.6
67.05511	0.7
67.49854	0.5
68.99822	0.5
69.03416	1.3
69.77108	3.1
72.08186	0.5
75.30170	0.4
75.50412	0.4
79.05476	0.7
81.03410	0.8
81.07055	0.6
82.30694	0.4
85.02914	3.4
85.10455	0.5
87.00839	0.5
97.02881	1.2
103.03949	0.7
107.04942	1.4
107.08565	0.6
109.02872	1.0
109.10158	1.5
109.41941	0.5
119.08591	0.7
121.02879	0.8
123.04433	0.9
127.03940	1.2
135.04416	2.6
135.11682	1.2
135.82140	0.6
137.02335	1.2
137.05984	1.8
145.06511	0.6
146.57658	0.6
147.04424	0.9
151.03850	0.6
153.01825	5.3
153.05481	1.0
161.02342	0.9
163.03883	0.6
167.07048	1.1
171.02916	0.9
173.06049	0.5
175.03853	0.6
175.07559	0.8
175.14755	0.6
187.03938	0.6
193.15826	0.8
199.07545	0.7
201.09030	0.8
205.08406	0.6
211.16975	1.5
213.05473	1.0
213.09117	1.2
215.03281	0.5
215.06989	0.6
217.08586	2.1
225.09042	0.5
229.08624	1.8
235.09653	0.7
241.04994	0.9
241.08559	1.3
243.06532	0.7
245.07971	0.6
247.09689	1.5
253.08557	0.5
255.10248	1.0
259.09656	2.7
265.10791	1.1
267.10364	0.8
268.10730	0.6
269.08145	0.5
271.09659	2.3
277.10599	1.9
283.09729	1.7
286.04504	0.6
287.05493	100.0
288.05804	4.2
289.10770	2.7
295.09607	0.7
301.10687	2.5
309.11276	0.6
313.10815	2.1
319.11816	2.5
325.10709	1.4
329.10059	1.1
331.11667	2.8
337.10559	1.0
343.11685	2.9
349.12720	1.5
355.11719	2.0
361.12906	1.2
367.14240	4.2
385.12851	1.9
397.12695	1.2
403.13791	1.9
409.13248	0.6
415.13718	1.7
427.13864	0.6
433.14908	2.3
445.14899	1.1
463.15945	1.0
481.16559	0.6
529.44153	0.5
535.21368	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	535.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.8
67.05502	3.0
71.58874	3.4
74.57951	2.2
76.33469	2.2
79.05501	5.3
81.03426	3.2
81.07049	6.1
85.02906	4.1
87.05569	2.5
91.05463	11.1
94.04171	2.7
95.04955	2.4
95.08587	3.1
97.02893	5.4
103.05452	7.4
105.07012	5.3
107.04965	6.3
109.02834	3.2
109.06454	4.9
109.10112	2.2
110.58221	2.1
115.05437	4.5
119.04937	3.5
121.06499	6.8
122.03632	10.0
123.04372	3.3
125.05978	3.0
127.03952	2.7
129.06982	2.1
131.04950	11.5
133.02818	2.6
133.06424	2.3
135.04434	3.7
137.05969	100.0
141.06920	2.3
143.04919	2.9
145.06496	2.6
147.04361	5.5
149.05978	7.2
151.03845	6.1
151.07535	4.4
153.55669	2.6
155.04927	4.4
160.05168	3.2
160.21785	2.2
161.06003	16.0
163.07509	3.0
165.07109	2.9
165.08826	2.0
167.07068	4.1
175.07550	13.9
177.05450	7.7
178.07700	5.0
185.06009	10.8
187.07501	5.4
189.05470	4.6
189.07018	2.7
191.06990	9.1
191.08533	3.3
193.06546	3.1
194.07196	3.6
199.07628	3.1
201.05486	3.7
202.07828	5.6
203.06984	9.1
203.08632	3.9
205.06612	3.3
206.07326	4.2
207.08026	3.8
215.07002	9.4
218.07195	3.5
219.08029	8.9
221.05960	3.7
221.09657	6.1
222.06778	3.3
223.07626	2.8
231.08163	8.0
232.08919	2.8
233.09651	3.1
234.06812	5.5
235.07516	5.4
237.09029	5.4
243.08047	3.7
246.06761	4.1
247.07451	5.4
248.08305	5.2
249.09033	7.2
251.07135	5.2
253.08620	3.8
257.06021	2.3
258.06775	3.9
259.07513	3.6
260.08218	3.1
261.09164	6.3
262.06100	4.8
263.06934	3.2
263.10815	2.6
264.07785	4.0
265.08572	14.5
273.08984	3.8
274.09976	3.5
275.07010	5.1
276.07724	3.5
277.08545	11.3
278.09250	3.8
281.08218	3.0
283.09708	4.4
285.11221	3.5
287.05557	4.8
287.09164	4.8
288.07764	4.1
289.08627	3.6
291.10208	8.3
293.08011	3.3
297.11218	7.4
301.08612	8.4
302.09402	3.0
303.06592	2.5
303.10074	5.4
304.07190	3.9
305.08197	9.7
306.09006	4.2
307.09628	10.3
309.11102	7.0
315.12268	8.1
319.09650	15.4
321.11478	3.3
325.10968	2.7
327.50723	2.5
330.09000	4.2
332.10358	2.3
333.11182	8.7
337.10690	37.7
345.11252	8.9
351.12479	15.5
363.12384	23.5
423.12195	2.8
455.14969	6.8
457.16406	7.3
465.04156	2.6
469.16376	9.6
475.17300	4.0
487.17575	18.6
499.17380	10.4
517.18738	4.2
535.15222	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	535.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72413	1.8
55.01869	7.1
57.20578	2.4
65.03915	2.4
67.05491	2.8
69.03425	3.0
71.19014	2.2
71.58562	3.3
79.05475	4.6
80.08702	2.2
81.07054	7.3
85.02923	4.3
87.05584	4.9
88.00642	1.8
90.07194	2.4
91.05468	14.1
91.05962	1.9
94.04185	4.5
95.04986	3.4
95.08633	2.2
97.02878	3.8
98.13772	2.2
103.05437	7.1
105.07023	5.6
107.04945	9.3
109.02923	2.8
115.05454	5.6
117.06983	3.0
119.04953	8.1
121.02866	6.3
121.06499	6.7
122.03629	9.9
126.16754	1.9
127.03986	3.3
128.06216	2.9
131.04941	10.8
131.35040	2.1
133.06433	2.3
133.10150	1.9
135.04396	4.0
137.05969	100.0
139.17583	2.0
143.04901	3.1
144.05666	3.4
145.06445	3.9
147.04424	5.5
147.07983	3.8
149.05975	8.0
151.03912	8.7
151.07559	5.6
153.06911	2.7
155.04915	4.6
159.04321	2.0
160.05151	2.5
161.05972	19.4
165.06970	4.3
167.07062	8.1
173.06018	4.0
175.07608	12.8
177.05428	8.4
177.06836	2.9
178.07686	3.3
179.07002	3.8
183.04425	4.0
185.05962	7.1
187.07547	7.4
189.05489	4.8
189.07054	3.6
191.07021	9.0
191.08554	3.2
193.06406	3.3
194.07385	4.8
202.07594	2.4
203.06979	5.6
203.08652	3.5
205.06496	7.1
206.07243	5.2
207.08038	3.7
215.06995	9.5
218.07195	2.3
219.08075	7.9
220.08859	2.7
221.05962	6.9
221.09523	4.3
222.06831	3.5
231.08049	9.1
233.06033	3.4
234.06784	9.1
234.94853	2.2
235.07500	6.4
237.09090	5.9
243.08093	3.5
247.07449	5.2
248.08304	7.9
249.09097	8.3
250.06311	3.9
251.07030	5.5
253.08661	3.4
258.06839	3.1
259.07523	8.0
261.08966	5.1
262.06165	3.1
263.07040	3.8
263.10663	3.7
265.08649	13.6
265.11313	3.3
268.07315	2.5
269.08026	2.5
271.07153	2.3
273.09009	4.8
274.06195	2.5
275.07037	4.7
276.07764	5.4
277.08578	12.7
278.09204	3.7
279.06668	2.4
279.10056	3.8
283.09747	4.1
284.10553	2.5
285.11353	4.6
287.09146	7.3
288.07724	4.1
289.08511	4.9
291.10236	7.4
293.07837	3.6
294.08905	2.7
295.09424	3.0
297.11194	9.8
301.08615	6.3
303.10126	3.6
304.07346	3.7
304.10895	2.6
305.08051	14.0
307.09531	13.0
309.11172	8.5
315.12134	7.6
319.09644	16.7
321.11166	6.7
331.09378	4.0
332.10352	2.8
333.11124	9.0
337.10669	46.1
338.11099	2.7
339.12140	5.0
345.11142	9.4
351.12363	20.0
363.12253	23.1
364.43356	2.5
375.12131	3.5
393.13193	3.6
405.11285	3.2
422.11099	2.3
423.12244	2.9
427.15295	3.2
437.13876	4.9
455.14725	9.6
455.20337	2.5
457.16336	5.1
467.14902	3.4
469.16718	10.6
481.16608	3.3
487.17551	14.2
499.17072	5.7
505.18683	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	535.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.7
67.05473	2.3
71.10883	2.7
72.42920	1.2
79.05498	2.3
81.07042	2.3
82.07913	1.2
83.08639	1.1
85.02869	1.4
91.05464	4.8
93.07034	1.7
94.04172	5.1
95.04951	2.7
95.08604	1.7
103.05473	2.1
105.07016	3.2
107.04949	3.5
109.10146	2.2
111.04414	1.3
115.05465	2.5
116.42200	1.3
119.04965	1.3
121.06506	2.7
122.03642	9.6
131.04929	4.6
133.06468	2.0
135.04398	1.7
137.05968	100.0
144.05623	1.6
145.06477	2.3
146.03574	1.7
147.04347	3.4
149.06049	1.8
151.03963	2.7
151.07527	4.7
155.04938	2.9
160.05185	2.9
161.05992	6.3
163.07545	1.8
165.06978	3.5
167.07065	3.0
167.08490	1.5
172.05186	2.9
175.07491	2.5
177.05589	2.2
178.07870	1.6
179.07031	2.6
181.06467	1.6
183.04402	1.8
185.05981	4.2
187.07561	1.7
189.05505	2.1
191.07037	3.6
194.07350	1.6
195.08144	1.7
196.95457	1.2
202.07831	2.2
203.06979	6.5
203.08646	1.7
204.88708	1.2
205.06403	2.6
206.07272	2.0
207.08070	1.7
210.06697	2.1
215.07039	4.8
218.07153	1.8
219.08070	4.2
221.06012	2.6
221.09627	1.7
221.38680	1.3
222.06786	1.4
223.07578	2.2
225.09065	1.7
231.08035	4.5
233.06000	1.4
234.06718	4.8
235.07553	2.8
237.09067	3.1
242.07307	1.5
243.07916	1.6
245.05992	1.4
247.07498	3.6
248.08328	2.9
249.09094	6.9
250.06229	1.3
251.06923	2.3
252.07803	1.8
253.08562	3.9
258.06747	2.0
259.07462	4.2
260.08252	2.0
262.06207	3.2
264.07806	3.0
265.08588	3.7
266.09039	1.7
267.10101	2.0
271.07553	1.8
273.11340	1.9
275.07047	3.1
276.07709	3.3
277.08499	8.1
279.10217	1.9
282.41101	1.3
283.09653	2.7
285.11166	4.3
287.06985	2.5
287.12546	1.5
291.10196	3.6
292.07120	2.1
293.08124	2.3
294.08847	1.2
295.09952	1.5
297.11288	3.1
299.06360	2.0
301.08627	5.3
303.10168	3.0
305.08102	6.3
306.08936	1.3
307.09915	3.1
308.10275	1.8
309.11411	6.2
310.11865	2.5
319.09750	3.1
321.11221	1.6
323.10425	2.1
331.09775	1.9
333.11063	4.5
334.09848	1.3
335.10306	1.7
337.10718	16.4
351.12518	11.3
363.12537	6.1
377.11691	2.2
379.09592	2.4
380.10684	2.2
393.11163	2.3
394.12177	2.0
395.12451	2.8
405.11331	2.6
409.14392	1.6
411.11938	2.5
422.11249	2.3
423.12192	3.2
425.13892	2.4
427.15491	9.8
435.12103	2.0
437.13895	9.0
443.14752	1.7
454.14078	2.2
455.08746	1.8
455.14917	24.4
456.15344	1.6
457.16278	4.8
458.16675	1.5
467.14734	2.4
469.16461	15.4
475.17368	2.9
481.16357	3.8
487.11041	1.9
487.17535	21.1
499.17316	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	535.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	7.0
55.05507	3.9
57.66600	2.9
58.99587	5.0
67.05505	6.9
69.03413	3.9
69.07043	3.2
70.06574	4.2
71.58337	5.5
76.02209	5.5
79.05492	4.3
81.03398	4.5
81.07062	5.2
84.04480	3.4
85.02886	11.1
86.09694	5.3
87.00832	5.8
90.05547	3.5
91.05459	5.5
93.07023	4.3
93.38732	3.1
95.04986	4.1
95.08569	2.9
97.02885	4.3
103.05465	3.7
105.07018	5.1
107.04967	4.2
109.10167	3.3
111.04382	4.2
116.01685	4.6
119.08434	3.7
123.04420	8.7
127.03898	7.8
129.07095	3.6
131.04935	6.0
133.02838	3.2
137.05969	25.4
139.03894	100.0
141.01810	3.0
147.04442	4.9
149.02333	3.2
151.03886	6.4
153.01833	13.9
153.05476	28.7
158.02728	7.6
159.02989	3.7
159.04390	7.2
161.05991	4.8
163.03909	5.0
165.01854	22.2
167.05780	3.1
167.07018	17.2
171.14920	3.4
175.07552	3.6
177.05470	28.3
179.03378	6.4
183.02855	25.6
185.05901	4.7
187.07483	4.5
189.09052	5.9
191.03539	4.5
193.08530	4.1
195.02864	5.9
209.11781	7.4
219.02899	7.8
235.09647	10.3
240.29089	3.8
241.05074	5.7
245.04501	18.6
259.05972	3.7
269.04254	5.0
271.15668	4.1
273.03894	11.4
274.04724	7.9
287.05536	58.1
315.04987	35.8
329.13815	11.4
331.04776	4.9
333.06149	17.6
357.13354	29.5
371.14658	9.2
385.12820	35.1
387.19580	9.4
388.19812	24.3
403.13986	35.3
491.18561	6.1
535.18018	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	535.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.2
55.01867	0.2
55.05502	0.3
55.35936	0.1
55.71060	0.1
64.91257	0.2
66.24472	0.1
67.05491	0.4
68.99773	0.5
69.03410	0.6
69.07067	0.2
71.04987	0.2
71.58398	0.2
79.01830	0.4
79.05499	0.2
79.74606	0.2
81.03426	1.2
81.07033	0.4
84.04484	0.3
85.02897	0.7
90.05454	0.2
91.05470	0.5
93.07029	0.5
95.04941	0.5
95.08612	0.3
97.02889	0.7
105.01810	0.2
105.07054	0.3
107.01278	0.2
107.04930	0.3
109.02852	0.8
109.10163	0.2
113.05953	0.2
119.08590	0.2
121.06494	2.3
123.04417	0.7
125.02340	0.7
126.03723	0.3
127.03932	0.8
127.04757	0.2
131.50487	0.2
137.05963	0.6
143.03398	0.7
147.04330	0.2
151.07477	0.2
153.01822	13.9
165.01892	0.3
167.07008	0.2
171.02922	0.9
175.07552	0.2
177.05478	0.3
179.03426	0.4
179.07004	0.4
183.02757	0.2
191.04895	0.2
192.04128	0.2
198.09142	2.1
205.04953	4.0
206.05736	11.1
207.06140	0.3
213.11475	2.6
214.12224	0.2
221.08080	100.0
222.08446	1.7
231.04272	0.2
246.09488	3.5
249.15547	0.2
250.15465	0.2
272.11032	0.2
287.05515	3.4
287.08609	0.1
297.06009	1.3
315.07162	0.4
317.13254	0.2
406.17853	0.7
436.54135	0.2
505.17963	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	535.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	12.7
55.01872	17.5
57.03446	8.4
61.02921	10.4
66.25296	1.3
68.99792	6.1
69.03431	41.0
71.04995	7.7
71.41508	3.0
73.02917	12.0
79.05515	1.0
81.03416	59.5
81.07056	1.1
83.01326	1.5
85.02906	100.0
87.00830	37.8
87.04439	1.4
91.03950	3.5
91.05460	10.7
95.04983	2.5
95.08611	1.5
97.02286	2.4
97.02891	36.6
99.04452	18.8
103.03922	1.2
103.05465	7.8
105.01862	25.5
105.07018	3.4
107.04980	2.6
109.02121	2.5
109.02876	45.9
111.04508	1.5
115.03922	3.7
117.01842	9.0
117.07013	1.4
119.04926	3.5
121.06509	14.7
122.03638	2.3
123.04436	16.8
123.95277	1.2
125.00018	1.2
127.03918	68.9
129.01868	8.5
131.04927	7.1
133.06503	1.9
137.05977	26.2
139.07526	3.9
145.04950	24.4
145.06238	1.1
145.06593	1.2
147.02887	4.8
147.04402	10.0
149.05978	5.4
151.03903	2.2
151.07538	62.3
159.02899	35.5
159.04013	1.0
161.05977	3.8
163.07512	5.5
165.05478	12.1
165.09138	3.5
167.08528	1.9
173.06024	1.4
175.07518	3.3
177.04092	1.7
177.09161	7.0
179.08513	1.6
181.06474	1.4
182.07399	1.7
185.05949	1.4
189.03963	2.2
189.05447	7.9
189.09084	2.8
191.06941	2.6
193.08655	2.7
195.08066	3.6
196.08882	3.7
197.05949	2.2
198.06766	1.2
200.53238	1.2
203.07079	1.3
205.08612	2.3
208.08746	1.4
209.09644	1.7
211.07526	1.4
212.08324	2.9
213.09026	2.0
224.08243	2.0
225.09065	2.0
227.10646	5.0
231.04784	9.0
231.06950	1.8
240.07867	1.7
251.10683	1.9
254.09224	1.3
255.10083	4.1
256.10782	1.6
259.09790	1.8
269.08060	1.3
272.10352	1.3
279.10358	1.6
286.11920	3.8
287.09567	2.5
287.12772	50.3
297.11142	2.7
299.12732	19.9
311.12714	7.2
323.12729	3.4
325.14322	2.5
329.13776	6.4
335.07697	3.1
335.12668	1.3
341.13748	2.0
353.13922	6.1
377.13840	4.4
395.14896	12.7
462.75821	1.2
499.16306	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	8.4
55.01877	11.7
57.03426	7.5
61.02905	6.1
67.05496	3.5
67.08200	1.6
68.99784	7.8
69.03427	48.7
69.07080	1.9
69.71576	13.3
71.04985	4.2
73.02908	8.0
74.73860	1.8
79.05482	4.5
81.03411	43.2
81.07048	4.3
85.02901	100.0
87.00829	35.4
91.03960	2.1
91.05473	6.1
93.07026	3.1
95.04932	2.1
97.02884	30.2
97.06517	2.1
99.04441	17.1
100.75377	1.9
103.03943	5.3
105.01858	25.4
105.07050	2.7
107.04951	76.7
109.02871	51.0
117.01829	3.6
119.04934	2.5
121.06509	5.0
123.04402	13.5
123.11709	1.9
127.03912	71.6
129.01848	6.9
131.04910	10.6
133.02782	2.1
135.04399	4.3
137.02327	6.6
137.06021	8.3
138.03114	8.7
145.02951	2.0
145.04956	22.1
145.06099	2.5
147.02869	6.8
147.04378	17.3
147.11670	2.4
149.05972	5.5
151.07518	2.7
153.01804	3.5
153.05458	55.2
153.06741	2.8
159.02901	21.8
161.05960	3.0
167.07079	3.5
169.06471	2.1
173.05989	5.3
175.03900	18.1
175.11087	1.8
176.04709	2.2
177.05478	3.8
181.04913	11.9
181.06401	3.2
185.05995	2.7
187.07498	3.0
189.03894	5.9
191.07089	3.2
197.05934	4.3
198.06534	4.0
199.07570	2.9
201.05437	2.4
201.42146	1.8
212.04610	2.7
213.03909	4.0
219.06548	3.1
221.05940	3.3
223.07448	2.1
225.05447	6.4
226.05995	5.7
227.06949	6.6
229.04910	3.6
231.04904	10.5
239.07161	3.6
241.04930	3.1
241.08701	2.1
243.06451	7.0
244.06895	8.2
251.06979	7.1
253.04938	5.2
254.05553	5.0
255.06528	6.9
257.04422	11.0
259.09625	21.7
265.05325	2.2
265.08469	2.1
266.05817	5.2
267.06503	4.3
269.08130	7.1
271.06006	8.8
272.06531	18.6
275.06863	1.9
276.69223	2.2
279.06470	3.7
280.07339	5.9
281.04559	2.8
283.06186	2.4
283.09659	4.2
286.08316	26.9
287.05487	19.5
287.08954	93.5
296.06937	3.7
297.07526	6.6
298.08313	5.4
299.09189	5.4
301.10730	6.8
311.09149	16.0
321.07843	2.4
323.09082	4.1
325.10526	2.6
329.10193	29.8
335.09103	3.3
349.10635	3.0
350.62817	2.1
353.10150	10.3
377.10211	6.8
395.11340	14.6
505.18253	1.9
535.19330	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35785	2.2
52.18198	2.3
53.03935	9.6
55.01868	13.6
55.05496	2.5
57.03421	9.9
57.84762	2.7
61.02915	10.9
67.05508	5.2
68.99782	11.1
69.03425	45.8
70.06584	2.4
70.70483	3.1
70.70840	7.5
71.04980	7.9
73.02919	12.5
77.03904	2.9
79.05505	4.2
81.03413	40.9
81.07044	5.3
83.04954	2.6
85.02904	93.4
85.26711	2.1
87.00834	32.4
91.03948	4.6
91.05466	5.5
93.07050	4.9
95.04971	7.5
95.08611	4.3
97.02888	34.6
99.04459	16.6
103.03947	3.8
105.01857	27.0
105.07018	3.2
107.04955	66.0
109.02880	47.2
109.06539	3.1
109.10151	3.1
115.05454	2.9
117.01826	4.4
119.04929	3.8
119.08557	4.0
121.06526	3.7
121.10149	2.9
123.04428	15.9
127.03918	71.6
127.26301	2.4
128.06226	2.6
129.01869	7.0
129.87839	2.3
131.04922	9.6
133.10149	3.7
137.02341	6.4
137.05951	16.7
138.03119	6.6
139.03937	3.5
142.32462	2.1
145.02740	2.7
145.04958	19.7
147.02818	2.5
147.04391	16.0
149.05966	7.3
151.03902	5.7
153.01810	4.8
153.05469	51.6
159.02910	25.8
159.11794	2.3
161.05989	5.4
166.02580	2.6
167.07063	11.6
167.08365	2.6
169.06540	2.6
171.02827	3.5
175.03935	15.2
175.07545	3.8
176.04761	2.5
177.03952	2.4
177.05440	2.9
181.04959	10.6
181.06441	4.9
189.03941	4.4
191.07007	3.2
197.05960	3.2
198.06351	3.8
199.07539	6.8
201.05460	3.7
209.05940	3.6
212.04736	3.9
213.03876	4.2
215.07068	3.3
216.07481	2.9
219.06499	3.4
225.05547	5.4
226.05986	4.8
227.07063	5.1
229.04840	2.9
231.05006	11.0
237.05447	3.4
239.07072	3.7
243.06578	7.9
244.06833	4.7
250.06250	3.4
251.06993	6.1
253.04929	7.8
254.05434	5.0
255.06551	8.2
257.04333	7.7
259.09689	21.7
263.12424	2.9
266.05826	4.3
267.06491	3.5
269.08057	7.1
271.06104	5.8
272.06476	18.2
283.09705	3.6
285.07657	2.9
286.08295	27.3
287.05490	51.3
287.08966	100.0
288.97479	3.0
291.06604	2.7
296.06812	3.8
297.07590	3.6
298.08429	6.4
299.09177	4.2
301.10849	4.6
307.09393	3.3
311.09192	15.4
311.12479	3.4
314.89191	3.0
325.10681	3.0
327.03647	4.4
329.10236	32.1
337.10977	3.1
349.10815	5.0
353.10153	12.0
377.10187	8.1
395.11108	9.9
404.31705	2.8
505.18073	3.0
534.80090	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	535.1082
Annotation	Kaempferol 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
53.03942	0.5
55.01860	0.4
57.03426	0.5
59.62154	0.2
61.02919	0.6
62.45356	0.2
65.03953	0.3
67.05489	0.4
67.08122	0.2
68.01415	0.2
68.99782	0.5
69.03438	2.5
69.47398	0.9
69.47820	1.1
70.06593	0.3
71.04990	0.3
73.02908	0.5
79.05473	0.4
81.03413	2.7
81.07038	0.5
85.02438	0.3
85.02905	3.5
87.00841	1.4
87.01322	0.3
93.03371	0.4
93.07034	0.4
95.04946	0.5
95.08614	0.4
97.02881	1.4
98.20736	0.4
99.04441	0.5
101.06055	0.2
105.01839	0.5
105.07011	0.3
107.04976	0.3
107.08592	0.2
109.02904	1.7
109.06516	0.3
111.04438	0.4
117.01836	0.6
121.02865	3.0
121.10087	0.3
123.04421	0.7
127.03920	2.7
131.08559	0.3
137.02333	6.3
137.03416	0.3
137.05965	1.2
145.04936	0.5
147.04419	0.4
149.02301	2.3
151.03960	0.3
153.01830	0.4
153.05405	0.3
157.06407	0.6
159.02872	1.0
163.03957	0.4
167.03375	0.5
171.04437	0.3
175.07553	0.6
185.05931	2.6
189.05521	0.3
203.07104	0.4
213.05493	5.0
230.05907	0.3
231.06624	1.6
241.04939	2.6
244.07382	0.3
249.64487	0.3
258.05276	0.7
259.06140	0.4
269.04376	1.4
287.05493	100.0
288.05826	1.0
373.12927	0.6
535.23279	0.5
535.95612	0.2
538.96814	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1083
Annotation	Kaempferol 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
53.03935	0.2
55.01873	0.1
55.05500	0.2
57.03432	0.1
67.01863	0.6
68.99793	0.7
69.03427	0.7
69.07075	0.1
69.46164	0.6
69.46593	0.4
79.05486	0.3
81.03410	0.8
81.07040	0.2
85.02902	1.0
87.00813	0.3
89.03902	0.2
91.05463	0.2
93.07030	0.2
94.04164	0.1
95.04945	0.2
95.08604	0.2
97.02888	0.3
98.21462	0.2
99.04471	0.1
103.05442	0.2
105.01855	0.2
105.07030	0.2
107.04943	0.3
107.08564	0.2
109.02879	0.8
109.10124	0.1
111.00806	0.2
111.04429	0.3
117.03374	0.3
117.06966	0.2
119.08593	0.1
121.02866	1.0
122.03687	0.2
123.04436	0.1
127.03922	0.8
129.01830	0.2
129.06987	0.1
131.04980	0.3
133.02859	0.1
135.04417	1.8
135.08070	0.1
137.02365	0.5
137.05995	1.3
145.04968	0.2
145.06483	0.2
147.04416	0.3
151.07562	0.2
153.01825	5.3
154.48421	0.1
157.06480	0.2
158.02725	0.2
159.02856	0.3
161.02327	0.5
161.05893	0.2
163.07523	0.4
165.01823	0.5
167.07045	1.1
171.02861	0.9
171.04236	0.2
175.07538	0.3
177.05431	0.2
179.03485	0.2
183.02931	0.2
185.05927	0.3
189.05446	0.1
189.09340	0.1
191.07040	0.2
193.06429	0.1
193.08569	0.2
201.08986	0.2
203.03445	0.1
213.05472	0.4
231.06543	0.3
241.04903	0.8
245.04463	0.1
258.05289	0.4
259.05997	0.2
269.04443	0.4
270.04977	0.2
286.04852	0.2
287.05484	100.0
288.05832	1.3
288.16248	0.1
329.06799	0.1
331.08188	0.2
342.09720	0.1
363.16064	0.3
387.19409	0.4
388.19687	0.3
449.10599	0.5
535.10791	1.8
561.14484	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	535.108
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03939	1.7
55.01855	1.7
57.03425	0.5
61.02902	1.0
61.37364	0.5
66.37074	0.5
68.99782	1.1
69.03427	5.5
70.61530	1.6
70.61897	0.6
71.04998	1.0
73.02913	1.4
81.03413	7.0
82.53526	0.6
85.02908	9.2
87.00832	4.1
97.02893	3.6
99.04453	2.2
105.01872	2.6
105.93074	0.5
109.02883	7.3
111.00772	0.9
117.01864	0.7
121.02863	2.7
127.03907	7.8
129.01819	0.6
137.02359	0.9
145.04961	2.0
147.02837	0.6
153.01825	5.2
159.02910	3.7
165.01833	2.1
183.02872	1.3
213.05479	1.5
241.05067	0.5
258.05255	0.8
287.05496	100.0
288.05823	1.7
289.53555	0.6
420.61880	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1084
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03932	1.2
55.01871	0.5
57.03430	1.0
61.02915	1.4
69.03087	0.5
69.03430	6.5
69.76667	1.5
69.77091	1.6
71.04986	1.0
75.86501	0.4
81.03416	4.5
85.02904	6.6
85.52732	0.4
86.40027	0.4
87.00816	2.1
97.02889	10.9
99.04456	1.8
105.01854	1.2
105.03429	0.5
105.07017	0.5
107.04922	0.5
109.02864	2.3
111.00783	0.6
115.03980	0.4
121.02879	2.4
127.03929	3.9
137.02328	1.0
145.04984	3.9
147.04378	0.9
153.01825	5.4
157.06560	0.6
159.02873	0.7
165.01833	1.9
169.06416	0.4
185.06114	0.5
190.79852	0.4
213.05467	1.1
231.06601	0.7
235.09718	0.9
241.04904	0.8
253.10648	0.8
258.05252	1.1
259.09622	0.4
264.26935	0.4
277.10733	0.8
287.05496	100.0
288.05780	1.5
299.05673	0.4
337.12640	0.6
359.20276	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13744	1.9
53.84150	1.9
55.05513	3.9
59.06944	2.1
60.08171	13.8
61.69218	2.0
62.84290	2.0
67.05495	12.9
69.07066	6.6
71.07373	6.6
71.58833	3.9
78.61572	2.0
79.05492	4.6
81.07058	17.7
83.08627	4.7
84.58649	1.9
86.09210	3.9
86.09704	48.1
91.05468	6.2
92.26794	2.2
93.07041	5.7
95.08630	13.7
98.09711	3.8
104.10744	100.0
105.07052	3.1
106.08305	2.0
107.08611	3.2
109.10169	8.1
119.08564	3.1
123.11711	4.0
125.00006	19.7
151.15057	2.1
165.16339	2.9
169.83078	2.2
175.14871	2.4
184.07349	71.6
196.07433	4.7
245.22639	9.0
263.23798	12.8
337.27420	11.4
475.22131	8.7
516.34296	6.9
534.28461	3.3
534.35565	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	534.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
54.21250	0.5
54.44519	0.4
55.05262	0.6
55.05508	8.0
56.05041	4.2
57.07077	3.9
58.06585	1.1
60.04522	2.9
65.03936	1.0
66.44247	0.4
67.04251	0.8
67.05504	15.0
68.05016	1.6
69.07067	9.5
70.06604	2.0
71.08622	2.0
71.53664	0.4
71.54013	0.8
75.46932	0.4
77.03848	0.4
79.05060	0.7
79.05495	11.0
79.05952	0.6
80.05006	4.5
81.05797	1.5
81.07053	12.9
82.06579	8.6
83.08615	4.4
85.10166	1.1
91.05478	10.0
93.05778	0.6
93.06470	0.8
93.07039	11.0
94.06565	20.9
95.04971	2.4
95.07346	10.3
95.08598	9.9
96.08137	5.2
97.06541	0.5
97.10168	2.5
98.06062	0.6
105.04527	0.4
105.07018	7.2
106.06543	0.5
107.08597	6.0
108.08118	3.6
109.10154	3.8
110.09657	0.7
111.11700	0.5
112.18384	0.4
117.06944	0.4
118.19796	0.4
119.08566	7.3
120.08060	0.4
121.08865	1.0
121.10144	5.7
122.09685	3.1
123.11690	1.5
133.10121	3.6
135.10464	1.3
135.11679	3.2
136.11206	0.7
137.13307	0.7
147.11673	0.8
149.11998	0.6
149.13217	1.0
151.14961	0.5
161.13237	1.0
191.17850	0.7
219.21146	0.6
233.22617	5.0
234.22229	0.6
245.22708	3.3
250.25291	10.2
254.24776	1.6
262.25284	100.0
263.25790	0.8
266.70145	0.4
272.25815	4.8
280.26334	10.1
504.47595	2.1
516.47803	5.8
534.33148	0.5
534.49017	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66490	15.3
55.05507	38.2
56.37482	14.9
57.07061	18.1
64.65586	15.8
67.05489	53.7
68.31566	13.6
69.07053	16.1
71.50324	32.9
81.07038	44.1
86.09695	21.6
93.07050	18.9
95.08640	33.5
98.09653	30.1
99.49397	14.2
104.10732	100.0
109.10140	22.0
138.40202	17.7
147.11594	18.0
184.07210	16.8
201.00012	15.8
227.20047	29.7
245.22685	32.2
263.23694	27.0
283.37759	17.7
337.27423	30.6
360.69907	20.1
448.84137	15.9
517.77594	17.6
517.86090	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	534.319
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05016	0.6
60.07927	0.5
60.08166	6.7
67.05477	1.0
69.03412	0.7
69.48550	1.5
69.48962	3.0
71.07377	4.2
79.05482	0.6
81.07059	0.8
86.09706	32.2
95.08569	0.6
98.21553	1.2
98.98467	2.8
104.10746	7.8
105.07033	0.7
124.99084	1.2
125.00003	22.8
184.07343	100.0
194.83043	0.6
287.05432	1.8
338.96564	0.7
498.12787	0.6
498.29968	1.0
516.12567	0.6
516.30878	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	534.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	1.0
56.05019	2.3
56.15223	1.0
58.06598	2.6
60.07878	1.3
60.08160	16.8
67.05494	2.7
69.07060	1.1
71.07372	6.2
79.05475	2.3
81.07040	2.0
86.09699	51.3
91.05497	1.8
91.57689	0.9
93.07028	4.0
95.08598	1.3
98.21549	1.7
98.98460	4.4
104.10738	100.0
105.07026	1.9
107.08560	1.8
117.07006	1.1
124.99997	27.5
133.10066	1.2
139.03871	1.6
184.07332	99.0
216.45647	0.9
287.05450	3.2
289.82660	1.0
298.24402	1.1
304.98956	1.0
425.67096	1.0
498.29868	6.3
516.23669	1.7
516.30768	23.2
535.28479	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	534.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.3
56.05024	0.7
58.06604	0.5
60.08163	6.5
66.77192	0.3
67.05485	0.9
69.03424	0.4
69.33138	0.5
69.33539	2.7
71.07375	3.2
79.05479	0.7
81.07056	0.7
86.09705	32.0
91.05464	0.5
92.00855	0.3
93.06987	0.6
94.56113	0.3
95.04943	0.4
95.08601	0.5
98.98471	3.1
104.10746	5.4
105.07024	0.6
107.08621	0.4
109.10132	0.4
121.10114	0.5
125.00004	21.7
139.03897	0.8
143.01044	0.6
161.94247	0.3
179.14384	0.4
184.07341	100.0
185.07660	0.4
258.11121	0.4
270.78305	0.3
273.83530	0.3
287.05383	0.5
405.10922	0.3
419.14087	0.3
448.71075	0.3
516.30621	1.1
517.31201	0.3
534.32312	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	534.319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.0
56.05029	1.2
56.96557	0.7
58.06608	1.4
60.08163	17.5
63.76723	0.4
67.05506	2.8
69.03421	0.8
69.07055	1.1
70.06585	0.6
71.07368	7.3
71.08634	1.1
71.32990	0.5
71.33340	0.6
72.08144	0.4
78.20777	0.4
79.05494	2.3
81.03429	0.7
81.07058	2.5
83.04990	0.5
83.08636	0.5
85.02917	0.9
86.09704	50.5
91.05474	1.8
93.07041	2.0
95.04972	0.7
95.08582	1.6
97.02893	0.8
97.55693	0.4
98.98464	4.3
104.10741	100.0
105.07030	1.3
107.04920	0.7
107.08601	1.1
109.10161	0.9
119.08605	0.7
121.10156	0.9
125.00002	25.4
133.02657	0.4
135.11707	0.6
139.03926	1.6
143.01006	1.1
145.02855	1.0
147.11728	0.8
149.06006	0.5
163.01622	0.7
167.31825	0.5
177.05469	2.9
179.14270	1.1
184.07336	88.3
195.06531	0.5
203.05779	0.5
228.73865	0.4
249.18555	0.7
258.11035	1.1
273.47955	0.4
287.05505	1.4
351.25250	0.6
375.11282	0.5
516.30804	5.3
534.31934	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	533.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.0
55.05519	18.3
57.07077	42.0
61.65511	2.9
61.97571	2.1
65.03965	3.3
67.05501	43.0
67.05834	3.7
69.07071	20.2
69.33358	2.7
71.04319	3.9
71.04631	3.1
71.04992	2.8
71.08629	28.4
79.05504	17.6
81.03418	93.9
81.07059	49.9
83.08627	32.7
85.10170	15.0
91.05467	23.0
93.07052	16.6
95.04979	28.1
95.08606	34.4
97.10168	16.3
105.07030	15.1
107.04958	4.1
107.08587	6.3
109.10150	18.9
111.08073	9.1
111.11736	8.0
117.07043	2.9
119.08588	12.6
121.06519	2.8
121.10157	9.4
123.04504	3.1
123.08127	2.5
123.11740	9.8
129.07037	10.7
131.08577	8.8
133.06569	2.9
133.10124	5.8
136.34184	2.5
137.13254	3.9
138.85309	2.8
147.11696	9.3
149.09668	4.2
149.13184	4.2
157.10159	10.8
167.40701	2.5
175.11223	9.3
177.05432	3.8
193.12239	63.2
193.13857	4.2
239.80403	2.6
245.37608	2.8
249.15051	5.2
306.63077	3.1
533.35541	4.3
533.41992	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93129	0.8
53.03938	3.2
55.01861	3.8
55.05505	2.0
57.03439	6.9
61.02926	12.4
67.05492	2.2
69.03429	28.2
69.07064	8.3
71.04998	5.2
71.58557	0.9
71.58966	1.1
72.49977	1.0
73.02914	4.2
79.05480	2.9
80.58831	0.9
81.02979	1.3
81.03418	15.4
81.07053	5.0
83.04977	1.6
83.08598	2.8
85.02905	100.0
85.06543	1.2
87.04453	3.2
91.03941	5.0
91.05488	4.3
93.07030	3.7
95.04965	7.9
95.08612	4.3
95.79654	0.8
97.02890	31.4
97.06530	3.6
99.04446	5.4
103.03965	0.9
105.07043	5.5
107.04947	2.3
107.08600	5.3
109.02876	10.1
109.06525	5.5
109.10123	1.8
111.04430	1.0
111.08136	1.1
115.03940	1.2
119.08534	4.6
121.06509	4.1
121.10138	3.8
122.07294	5.4
123.04454	2.0
123.08060	19.9
123.11717	1.8
127.03912	28.9
131.04947	1.2
131.08592	1.8
133.10121	5.7
135.04424	0.9
135.08046	29.7
135.11676	4.2
135.98674	0.9
137.05969	3.0
137.09602	1.2
139.03868	1.8
145.04955	41.2
145.10107	1.4
147.04382	1.0
147.11667	3.0
148.08891	0.9
149.06073	1.0
149.09637	2.2
149.13309	1.2
161.09599	0.9
163.06039	5.2
163.11130	1.1
163.14807	1.4
165.12752	19.8
167.06975	2.1
171.06511	2.5
173.13232	1.2
175.14845	3.1
176.11980	1.9
177.12737	1.1
189.07573	3.1
191.14304	79.1
193.08682	1.4
193.15880	12.0
197.06023	1.6
201.05431	1.6
203.14294	0.9
207.13815	2.9
209.15369	11.1
225.05521	1.5
243.06548	2.8
271.06046	5.2
285.07648	5.5
286.08353	16.9
289.62885	0.9
335.18524	1.4
353.19608	3.2
371.20560	7.9
459.61826	1.0
533.12860	4.4
533.25824	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	533.1291
Annotation	Malonylglycitin
Peak:m/z	Relative Intensity
67.05495	1.0
69.03412	0.7
69.05624	0.5
71.58249	0.5
74.49945	0.5
74.97202	0.5
79.05495	0.9
80.28377	0.5
81.03416	1.5
81.07035	0.8
84.98841	0.5
85.02888	1.2
87.16311	0.6
91.05501	1.0
92.74004	0.6
93.07061	0.6
93.22385	0.5
95.08602	0.7
97.02892	1.0
105.01832	0.6
107.04964	0.8
109.02873	0.9
117.79433	0.5
119.08647	0.6
123.04430	1.2
127.03902	0.9
133.06557	0.7
137.06009	1.0
139.03891	1.1
151.03845	0.8
153.01817	1.2
167.07082	1.2
168.05675	0.8
170.02081	5.2
183.08038	1.7
184.07198	0.6
196.05319	0.6
211.07645	3.2
213.05519	1.0
229.08609	5.6
237.71135	0.5
239.06973	0.8
242.05760	2.0
253.04988	1.6
267.06723	0.7
267.19385	0.9
269.04410	2.9
270.05151	4.6
278.06857	0.6
285.07562	100.0
286.07831	0.8
332.19934	0.7
447.12720	2.0
533.12769	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	2.7
61.01132	1.6
62.32742	0.8
64.21085	0.9
68.99786	4.5
69.03420	1.2
69.67386	1.8
69.67773	5.6
72.04520	4.4
73.02894	1.4
78.03784	3.8
79.05476	1.5
81.07030	1.1
85.02895	3.5
86.06061	1.6
88.02196	2.8
91.05452	1.6
93.07029	1.4
93.85551	0.8
95.04985	1.1
99.05560	1.3
102.03750	6.3
107.04947	1.8
114.03786	1.1
120.04809	1.1
121.06490	1.0
123.04414	2.5
124.07575	1.2
127.03868	1.1
129.07007	1.8
131.06367	2.5
131.08565	0.9
132.04753	4.3
133.06451	2.6
137.05974	2.3
141.07005	0.9
142.08636	2.2
143.08569	1.1
145.06468	1.7
147.04370	2.1
149.06114	2.1
149.07431	19.2
153.06995	4.6
157.06505	7.5
159.05870	1.3
161.05959	1.3
163.03903	0.9
165.06989	1.4
165.10422	0.9
167.06993	3.1
169.06439	1.0
171.07990	2.2
173.05951	2.5
177.05499	1.0
178.04939	2.2
178.06274	3.1
181.06467	13.5
184.09683	1.2
185.05995	3.8
185.13721	0.9
187.07491	2.0
193.08620	2.9
199.07539	10.4
201.05414	1.4
209.05942	4.0
213.05438	8.3
226.05945	1.0
227.07022	16.2
237.05440	3.2
255.06516	100.0
256.06958	1.2
261.12695	31.7
270.05273	1.3
284.09311	4.5
285.07596	4.1
326.10144	4.8
327.12103	1.8
403.13040	1.1
515.18115	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.129
Annotation	Malonylglycitin
Peak:m/z	Relative Intensity
55.01900	0.1
55.72341	0.1
56.69281	0.1
57.19830	0.1
59.89311	0.1
68.52885	0.1
69.28123	1.5
81.03398	0.2
82.00562	0.1
85.02911	0.1
107.04948	0.4
107.83337	0.1
118.04151	0.3
121.02900	0.2
123.04414	0.6
125.02383	0.2
133.06500	0.4
141.06966	0.2
145.06462	0.2
149.02377	0.3
152.01184	0.3
152.06140	0.2
153.01839	1.1
153.06963	0.2
168.05699	0.6
169.06558	0.2
170.02106	5.6
179.03400	0.1
181.06485	0.2
183.08047	2.4
186.06819	0.3
196.05203	0.7
197.05981	0.4
199.07484	0.2
211.07541	2.6
213.05467	1.2
214.06273	0.4
224.04729	0.2
225.05359	0.2
229.08594	6.1
239.07065	1.0
241.04935	0.4
242.05733	2.8
253.05008	1.7
255.06468	0.6
257.08090	0.3
267.06412	0.2
269.04443	2.8
270.05203	3.5
285.07568	100.0
286.07925	1.1
308.31876	0.1
367.55765	0.1
405.36728	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	0.5
69.03413	0.9
79.05500	0.6
81.07038	0.6
85.02924	0.7
85.30949	0.4
88.86779	0.3
93.07021	0.5
95.08575	0.4
97.02853	0.9
98.97614	0.6
105.07039	0.7
107.04958	0.7
107.08558	0.4
109.02862	0.5
116.98674	0.5
117.03357	0.5
118.04086	0.3
121.06486	0.9
123.00790	0.7
123.04423	0.9
127.03932	0.5
131.04950	0.5
133.06451	0.6
137.05965	1.3
139.03899	0.7
145.02823	0.7
145.95100	0.4
152.01045	2.7
153.01811	0.8
153.06995	0.4
161.09645	0.7
168.05692	1.4
170.02126	3.6
177.05443	1.8
181.08607	0.7
183.08040	3.9
186.06752	1.0
196.05194	1.2
197.06021	0.4
211.07549	4.1
213.05424	0.7
214.06203	0.8
215.32016	0.4
229.08577	9.3
239.07166	2.0
242.05751	1.2
253.04912	1.1
269.04398	2.2
270.05225	2.8
285.07565	100.0
286.07886	1.0
533.12695	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.6
52.29936	0.5
53.00310	0.6
53.03946	1.2
55.01875	3.8
57.03437	1.3
61.02927	2.2
61.41327	0.6
65.03943	2.6
67.05515	4.5
68.99796	6.2
69.03439	4.6
70.16084	2.4
71.04996	0.9
73.02918	1.9
79.05496	1.7
81.03416	5.9
81.07046	1.3
83.57248	0.5
85.02905	16.8
87.00826	6.5
89.03904	0.6
91.05478	6.1
93.03401	3.3
95.04981	4.5
97.02884	4.7
99.04459	1.8
103.03929	4.2
103.05444	0.9
105.01853	3.4
105.07027	1.9
107.04960	2.2
109.02869	4.2
109.06525	1.6
111.04462	1.2
115.03992	0.7
115.05442	1.0
117.07021	0.6
119.04962	5.6
119.08632	0.7
121.02883	2.9
123.04429	90.8
125.23737	0.5
127.03915	7.4
128.06226	0.9
129.01843	3.5
129.07019	1.4
131.04907	0.8
133.02837	1.7
133.06474	2.2
134.03667	2.8
135.04468	8.7
137.02325	0.8
137.05980	4.0
137.84108	0.5
138.03052	0.6
145.04955	2.7
145.06493	0.7
147.02924	2.2
147.04405	16.9
147.05519	1.0
147.08028	0.6
149.05925	1.3
151.03903	100.0
152.04251	1.9
157.06482	1.3
159.02882	3.4
159.04375	1.1
160.05191	1.8
161.05972	5.7
162.03136	2.5
163.03911	7.4
165.05476	36.1
171.03036	0.7
171.04378	2.9
172.05232	0.5
173.05951	1.2
175.03906	36.6
175.07495	2.2
176.04671	4.3
177.05482	3.2
181.06535	0.6
185.05991	3.6
187.03839	1.2
189.03909	1.6
189.05475	12.1
189.07059	1.1
190.06169	0.9
191.03340	1.1
195.08122	0.7
197.05975	1.1
199.07518	1.0
201.05486	1.0
203.03690	0.6
203.07047	1.4
205.05037	0.6
207.69807	0.6
209.05734	0.6
213.05539	3.1
217.05098	0.9
219.06596	0.9
227.06961	1.4
229.04993	0.8
231.06564	11.5
237.05579	0.5
249.07654	1.5
251.06842	0.8
255.06525	2.3
267.06479	1.5
268.06796	1.5
276.07834	0.5
279.06595	0.9
283.05984	2.9
284.06729	10.4
285.07416	42.1
297.07581	1.5
309.07516	4.6
311.46579	0.6
321.07520	1.6
327.08591	7.3
335.07553	4.1
351.08563	5.1
353.08731	0.6
375.08618	3.5
393.09647	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	533.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.49615	0.3
67.05496	0.3
69.66822	2.5
70.06593	0.3
79.05512	0.3
79.86146	0.3
81.03401	0.3
85.02887	0.8
86.09695	0.3
91.05460	0.3
114.88990	0.3
115.05470	0.3
122.06773	0.4
123.04387	0.3
134.03627	1.0
137.02348	2.3
161.05937	0.5
167.07083	0.7
190.58829	0.3
193.08783	0.3
197.06026	1.1
207.13744	0.3
213.05444	1.5
214.06163	1.0
225.05417	2.8
242.05740	10.6
249.11557	0.3
250.14104	0.3
253.04950	4.7
269.04462	1.0
270.05228	28.4
271.05658	0.4
275.36206	0.3
285.07568	100.0
286.07870	1.1
322.23987	0.3
346.27023	0.3
483.18704	0.3
533.12817	0.7
533.20673	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1288
Annotation	Malonylglycitin
Peak:m/z	Relative Intensity
67.60381	0.6
67.96116	0.7
69.03419	1.1
69.56665	5.3
73.02846	0.6
81.03362	0.7
81.07068	0.9
85.02901	2.1
93.07053	0.8
93.76077	0.7
95.08550	0.7
97.02904	1.2
103.05450	0.9
105.01868	1.0
105.07073	0.9
109.02872	1.2
118.04168	1.4
123.04417	2.9
124.01566	1.0
127.03909	2.1
131.04874	1.0
133.06554	0.9
137.05963	10.3
147.04425	1.6
149.02335	1.5
151.07506	1.0
152.01102	0.9
153.01836	1.4
164.10303	0.7
170.02109	3.1
175.07494	1.0
181.04900	0.8
213.05481	1.8
229.08530	3.6
242.05736	2.4
253.05009	2.6
259.82297	0.7
269.04614	2.2
270.05225	4.3
285.07574	100.0
286.08063	1.2
321.11020	0.8
342.65195	0.7
353.13864	1.1
473.67801	0.7
512.38544	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	533.1287
Annotation	Malonylglycitin
Peak:m/z	Relative Intensity
51.74975	0.3
57.54272	0.4
61.77645	0.3
63.76709	0.3
68.38328	0.4
70.14419	1.6
86.98225	0.3
134.03621	2.4
137.02324	6.8
141.06969	0.7
161.69719	0.4
169.06503	1.1
181.06543	0.4
183.04323	0.4
186.06702	0.7
197.05940	1.9
213.05481	4.0
214.06244	3.8
224.04695	0.4
225.05447	8.3
229.08554	1.3
242.05785	0.8
253.02487	0.3
253.04944	8.1
257.07892	0.4
269.04379	2.2
270.02255	0.6
270.05215	15.5
285.07556	100.0
286.07895	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1291
Annotation	Bichanin A 7-O-glucoside-6''-malonate
Peak:m/z	Relative Intensity
53.03932	1.2
55.01863	1.4
57.03444	1.3
61.02914	1.3
67.05481	0.4
68.99785	1.3
69.03429	8.4
71.04981	0.5
71.59053	0.4
73.02911	1.2
78.58713	0.2
79.70378	0.2
81.03418	7.2
81.07026	0.3
83.01374	0.2
85.02902	12.6
85.66724	0.2
86.09703	0.3
87.00829	4.2
87.04483	0.3
91.05469	0.8
93.07016	0.3
95.08640	0.3
96.64037	0.2
97.02893	3.7
99.04447	1.9
101.02386	0.2
103.03939	1.2
104.10735	0.3
104.87953	0.3
105.01867	2.2
107.04919	0.4
107.08585	0.3
109.02871	5.4
115.03922	0.3
117.01840	0.5
119.04922	0.3
123.04429	0.4
127.03918	8.8
129.01819	0.7
131.05031	0.2
131.08562	0.3
137.05975	0.3
141.62898	0.2
145.02846	0.6
145.04955	2.0
146.76042	0.2
147.02838	0.6
159.02863	2.1
159.04343	0.5
163.03906	1.5
166.02646	0.2
167.03416	3.9
168.05763	0.3
169.06451	0.4
171.02815	0.2
183.08090	0.4
184.07393	0.4
186.06929	0.3
196.05167	0.3
197.05986	0.4
201.09048	0.4
211.07532	0.5
214.06258	0.8
224.04680	0.5
229.08611	3.8
229.10687	0.4
231.05069	0.9
239.07010	0.4
242.05672	2.0
246.12321	0.3
257.08084	2.3
267.06482	1.1
268.07385	0.3
269.08084	0.5
270.05157	1.0
284.06857	0.5
285.07562	100.0
286.07889	1.1
306.52917	0.3
309.07501	1.1
327.08560	2.0
351.08728	0.4
447.12781	0.4
449.76263	0.3
515.11945	0.3
533.12280	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86518	11.1
54.18803	13.5
55.05514	17.8
60.54060	11.6
64.54916	10.9
67.05501	100.0
69.07058	25.4
70.30540	48.2
79.05491	75.2
81.07056	89.3
83.08652	10.9
91.05478	34.7
93.07052	76.3
95.08611	83.7
105.07016	40.1
107.08604	47.7
109.10142	40.8
109.36198	10.4
119.08630	28.5
121.10159	47.0
123.11732	22.5
129.06949	12.7
131.08562	28.6
133.10155	40.1
135.11687	36.3
140.83412	12.0
145.10126	17.5
147.11649	12.5
149.13187	29.5
158.16823	13.5
159.11722	25.7
161.13237	18.1
163.14742	14.9
173.13290	24.1
182.16855	11.7
186.66124	11.2
209.76712	11.9
243.21095	25.9
243.49609	13.6
261.22269	95.7
353.26898	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	533.129
Annotation	Malonylglycitin
Peak:m/z	Relative Intensity
50.11954	0.1
54.29447	0.2
57.02329	0.1
67.05489	0.1
68.99810	0.2
70.06590	0.2
70.23574	0.3
70.23973	0.4
83.04976	0.1
91.05511	0.2
98.20818	0.1
107.04947	0.4
118.04193	0.5
118.20510	0.1
119.04949	0.3
125.02375	0.1
127.03866	0.1
133.02888	0.2
139.03883	0.5
141.06961	0.4
145.02823	0.7
149.09616	0.1
152.01083	0.2
158.07213	0.2
163.03973	0.2
167.03418	0.6
167.07072	0.3
168.05679	0.6
169.06493	1.4
185.05992	0.2
186.06769	0.3
196.05194	0.4
197.05994	2.3
205.22893	0.1
209.15486	0.2
213.05495	0.3
214.06282	0.7
225.05438	3.4
225.07603	0.2
227.16583	0.1
229.08577	2.8
229.10672	0.2
230.01424	0.1
241.05028	0.2
241.20064	0.1
242.05745	5.3
253.04956	0.5
254.05812	0.2
257.08167	0.7
267.06238	0.2
269.04279	0.2
270.05222	16.6
270.36810	0.2
271.05832	0.3
285.07559	100.0
286.07852	1.1
303.30423	0.2
309.05594	0.2
459.43286	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	531.368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	3.1
53.03944	8.5
53.41996	2.0
55.01881	5.8
55.05505	25.4
57.03440	7.3
57.07061	5.0
65.03936	4.9
67.05502	100.0
68.05827	3.7
69.07063	27.0
70.65540	8.5
71.04993	7.4
71.08630	3.3
79.05068	4.5
79.05491	57.0
80.05791	3.4
81.03418	8.7
81.07053	90.4
82.07395	5.4
83.04978	8.3
83.08614	11.9
84.13471	2.4
85.06530	7.2
91.05476	65.1
91.66833	2.5
93.07037	71.4
93.07629	3.6
95.04970	13.0
95.08607	41.5
97.06527	4.4
97.10171	5.6
99.08136	3.4
105.07022	64.4
106.28071	3.1
107.04961	4.7
107.08585	59.2
108.08903	4.8
109.06487	7.2
109.10152	75.6
111.08070	5.1
112.88341	2.5
113.05988	5.8
117.07019	9.5
119.08569	22.9
121.10147	25.6
123.11695	13.6
125.09662	3.3
128.06245	3.1
131.08553	17.4
133.10130	87.5
135.11681	20.9
145.10147	9.3
147.11647	9.0
149.13260	8.8
151.11183	50.9
159.11725	9.0
161.13261	5.6
163.14906	2.6
169.12224	14.1
171.11676	3.6
173.13281	3.8
179.14337	5.2
187.14746	2.7
200.43332	2.5
215.12756	5.0
253.14355	70.6
254.14674	3.0
261.22177	20.3
265.37671	2.9
270.17755	2.9
317.24765	4.9
334.64847	3.1
421.30399	3.6
424.27777	3.5
439.31729	5.6
513.35895	14.6
531.36804	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.7
53.77420	2.7
54.27009	3.1
55.01864	9.9
55.05510	31.8
57.03429	4.3
57.07076	29.8
58.99570	5.9
61.20265	2.8
62.40739	2.7
65.03934	3.7
67.05504	87.7
69.03385	3.4
69.07066	25.6
69.39317	30.1
71.04984	12.4
71.08636	21.3
73.02926	17.2
77.00618	7.6
79.05495	56.0
81.03413	32.9
81.07056	90.7
82.07397	3.6
83.04959	10.3
83.08622	23.8
85.06516	5.8
85.10152	9.9
87.04459	4.1
91.05479	59.6
93.07035	56.5
94.07407	3.1
95.04969	18.3
95.08615	38.3
97.06510	3.3
97.10155	9.8
101.61454	3.0
105.00088	76.8
105.07028	49.0
107.04888	4.4
107.08588	48.8
109.06514	7.4
109.10155	65.0
111.08016	3.7
111.11685	3.2
117.07005	10.1
119.08595	16.2
121.10146	28.9
123.01079	5.7
123.11688	12.6
125.09620	3.9
127.07471	3.9
129.07010	8.8
131.08513	16.7
133.10126	81.7
135.11678	14.5
145.10109	11.8
147.11688	8.0
149.13228	5.9
151.11179	41.6
151.73726	3.3
153.12695	3.4
157.10121	6.5
159.11716	6.5
161.09642	3.8
161.13319	4.9
161.53932	2.9
169.12292	4.3
173.13240	11.8
175.11229	3.5
193.12268	13.7
215.12865	3.6
243.21117	5.0
253.14346	81.6
261.22195	20.6
345.20782	7.8
377.83670	3.2
378.05026	3.5
380.58072	3.6
400.74814	3.4
439.31979	4.1
457.32825	6.9
513.35724	15.0
531.38715	100.0
534.46844	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	531.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.9
55.01867	6.6
55.05512	27.6
57.03428	6.4
57.07075	7.5
65.03937	5.6
67.05505	100.0
67.62968	2.6
69.03435	3.1
69.07060	28.3
71.04987	6.2
71.08616	3.7
79.05495	62.8
81.03432	11.1
81.07056	86.6
83.04980	10.8
83.08602	15.1
85.06545	7.7
91.05479	59.4
93.07046	64.8
95.04974	14.0
95.08611	36.6
97.06501	4.1
97.10187	8.0
97.59944	3.0
98.20749	7.4
99.08089	4.7
105.07034	54.9
105.07687	5.2
107.08595	54.4
109.06504	7.3
109.10153	70.3
111.08154	2.9
117.07038	14.1
119.08577	19.5
121.10135	20.7
123.11709	14.0
124.80269	2.9
125.09625	3.8
127.07612	5.1
128.06207	3.3
129.07005	5.3
131.08546	23.3
133.10130	88.6
135.11694	20.3
141.07004	3.1
143.08591	7.3
145.10155	13.7
147.11746	13.2
149.13277	6.0
151.11192	39.2
157.10153	6.7
159.11742	11.7
161.13258	8.1
169.10104	4.3
169.12289	8.8
171.11736	7.5
173.13272	12.0
179.10629	3.7
185.13118	3.8
193.12270	6.1
199.14847	3.6
215.12827	3.7
229.08411	3.7
241.19705	3.8
243.21112	6.9
253.14354	72.1
255.15869	3.4
259.20621	4.2
261.22107	17.6
271.15204	2.8
285.22284	4.1
317.24796	3.3
421.31253	8.0
421.49609	2.9
439.31970	10.5
457.33032	6.0
503.36990	4.8
513.35919	25.8
531.36761	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
67.05495	0.7
70.06585	1.1
71.59105	1.0
79.05488	1.4
81.03406	0.9
81.07056	0.8
83.04991	0.6
91.05473	8.8
93.07025	0.9
95.04955	0.6
103.05463	1.3
104.06261	1.3
105.07024	2.3
107.08586	0.8
111.04437	1.3
111.91984	0.4
116.07085	1.2
117.07022	2.1
119.08578	100.0
120.08932	0.7
121.10218	0.5
123.08051	0.6
125.96584	0.6
126.71613	0.5
127.33966	0.5
131.08560	0.4
133.06496	8.7
138.09325	0.5
157.10101	0.6
210.70474	0.5
263.18643	0.5
351.91028	0.5
516.84784	0.5
531.28455	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.4
56.15412	0.4
67.05508	0.7
69.03442	0.6
69.07069	1.0
69.56617	3.7
70.06596	0.7
79.05482	0.8
81.07058	1.1
91.05475	1.0
93.07030	1.0
95.08607	0.9
98.20767	1.0
105.41208	0.5
106.73888	0.4
107.04932	0.7
107.08559	1.0
109.02838	0.6
109.10162	1.0
111.02660	0.5
119.08621	0.5
121.06512	0.5
123.04435	0.7
123.11756	0.5
131.08601	0.5
137.06018	0.5
139.03873	0.5
145.43753	0.5
153.01834	0.6
153.05499	0.5
161.05977	0.6
162.70361	0.4
203.05283	2.4
207.19217	0.5
264.25836	0.4
351.28622	2.3
522.92432	0.5
531.35022	100.0
532.35437	4.0
551.79431	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28012	0.1
61.73897	0.1
68.99782	0.2
69.51130	0.8
69.51549	0.4
70.82359	0.1
73.54062	0.1
85.39802	0.1
89.03476	0.1
89.03964	0.4
91.45652	0.1
129.06985	0.5
137.02333	0.3
141.06984	1.6
155.04913	0.4
157.06471	0.3
169.06494	2.3
181.06488	0.6
183.04414	1.5
197.05981	3.3
224.04669	0.3
225.05469	20.5
226.05798	0.3
227.07042	1.3
237.05411	0.2
253.04964	18.0
254.05428	0.4
255.06670	0.2
283.06006	100.0
284.06332	1.9
373.30090	0.2
531.11230	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06944	2.3
56.96562	17.4
61.93097	2.0
71.56848	2.2
71.57257	3.2
73.66148	2.2
75.67687	2.7
84.96035	8.4
85.02920	2.8
88.19868	2.0
92.85325	2.5
97.02875	3.3
98.97572	68.6
98.98190	3.6
100.99178	2.7
101.49334	2.3
102.97051	2.5
108.32086	2.3
110.97546	16.4
116.98615	36.7
119.01919	10.5
127.96019	2.0
128.98619	29.5
131.00192	4.9
131.01907	6.5
133.03474	5.8
134.99652	12.9
136.15323	2.2
137.02962	2.6
139.02443	2.2
140.98579	4.5
143.00159	17.7
143.01878	8.4
145.03482	5.1
146.08096	2.8
146.99661	18.7
149.01225	5.0
155.01866	3.4
157.03516	3.9
158.99638	24.7
159.05127	2.8
161.01225	28.3
161.02904	7.8
163.04037	2.1
165.00676	6.3
170.99634	16.7
171.05042	3.7
173.01212	5.0
173.02972	7.9
175.04515	2.9
177.00716	24.9
177.02248	4.4
179.02271	4.1
182.99696	11.1
183.01585	2.4
185.02956	7.6
189.00710	37.5
189.06099	2.4
189.67332	2.6
191.02327	4.7
195.01730	3.7
197.03069	3.6
201.00696	68.1
201.02559	4.0
203.03996	5.4
205.03813	2.8
207.01753	18.4
213.00731	6.7
219.01755	64.8
219.07147	6.1
221.05103	2.8
224.02118	2.4
225.02823	6.1
231.01738	11.7
231.07202	6.0
237.02791	34.3
243.01784	20.0
245.05103	27.8
249.02679	13.5
255.03851	2.6
261.02798	100.0
267.03909	5.0
269.05731	2.7
273.02832	7.3
275.06287	4.1
279.03854	72.7
291.03799	29.0
292.57855	2.4
297.04849	4.9
302.05499	3.3
305.07227	3.5
309.04962	7.0
321.04910	66.1
321.10278	32.4
329.61038	2.6
333.04739	13.2
339.11282	5.9
351.05981	26.6
351.11160	5.1
355.08893	4.4
365.09341	6.1
373.05847	4.0
381.06799	13.7
381.11328	2.6
393.07047	3.1
399.08044	25.3
434.05499	2.4
471.10196	5.3
498.70834	2.3
513.11023	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	530.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52061	5.1
55.01853	5.5
55.05519	41.1
57.03426	16.1
65.65752	4.6
67.05503	100.0
69.07062	18.6
71.04996	5.9
71.59375	8.9
72.86133	5.0
73.02898	8.1
79.05495	51.1
81.03420	18.3
81.07053	98.3
82.07389	6.9
83.04974	13.9
83.08627	24.3
85.02879	8.6
87.04472	9.3
91.05484	40.6
93.07039	57.0
95.04996	8.4
95.08614	37.5
97.06548	11.0
97.10156	20.6
105.07017	19.7
107.04924	6.1
107.08604	34.0
109.06496	7.7
109.10156	44.5
111.08115	7.3
117.06995	12.1
119.08574	21.4
121.10130	14.2
125.09625	18.2
129.05457	6.4
131.08540	19.1
133.10109	22.5
135.11682	16.5
145.10120	9.7
147.11670	7.1
149.13248	15.5
151.11166	6.0
159.11711	14.0
163.11240	5.8
173.11740	14.2
195.13824	15.6
199.13313	6.5
209.11688	6.2
227.12668	8.0
229.14305	23.9
240.12082	5.5
261.85425	5.9
269.17514	45.3
423.27216	12.9
438.34265	6.7
495.29590	10.6
513.30426	8.2
530.39551	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	529.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00546	1.6
53.03938	7.6
55.01850	2.3
55.05510	26.8
57.03423	6.9
57.07072	4.3
65.03941	5.0
65.54072	1.6
67.05505	86.2
69.07064	28.0
70.72841	4.7
71.04987	5.4
79.05493	74.9
81.03388	4.5
81.07059	89.6
83.04980	4.5
83.08615	16.2
85.06567	4.1
91.05476	43.0
93.07041	96.0
95.04974	10.6
95.08602	44.0
97.06509	9.1
97.10162	2.6
99.08074	5.3
105.07033	24.1
105.45982	1.9
107.04990	1.9
107.08596	46.7
109.06532	2.0
109.10150	15.0
111.08103	4.4
117.07011	17.2
119.08588	19.0
121.10145	35.9
123.08051	1.9
123.11692	3.5
126.03601	1.8
127.58896	1.6
128.06204	2.0
128.10768	1.9
129.07043	6.4
131.08559	29.7
133.10150	17.0
135.11696	18.2
139.11183	3.5
143.08603	6.6
145.10118	14.9
147.11665	10.7
149.13242	27.3
157.10155	7.6
159.11708	20.6
161.13303	4.4
169.10167	1.8
171.11740	4.7
173.13301	8.5
177.12740	6.4
183.11697	2.8
185.13326	3.2
187.01967	1.8
187.14638	3.5
195.13747	3.5
199.14893	2.3
201.16109	1.7
209.13174	2.7
261.22214	4.8
332.72452	1.8
339.46475	1.9
419.32886	2.7
437.34174	10.6
455.35129	4.2
472.11078	1.8
473.35709	2.8
484.98441	1.8
511.38150	3.7
529.38898	100.0
530.39142	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	529.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	12.9
63.02810	3.2
65.03959	3.2
65.57191	2.8
67.05508	27.8
69.07053	12.8
69.45903	3.1
70.19132	14.7
73.12785	3.2
74.14239	2.7
79.05482	16.2
81.07059	30.2
83.08619	7.9
91.05480	18.9
93.07045	25.3
95.08620	18.0
97.10190	4.3
105.07027	18.0
107.08594	8.0
109.10162	6.8
109.10840	3.5
117.07050	5.5
119.08565	17.9
121.10113	6.1
129.07007	7.4
131.08580	27.3
133.10109	8.1
135.11713	4.8
143.08575	7.7
145.10127	14.3
149.13252	4.4
155.08492	4.2
157.10127	5.3
159.11714	4.6
169.10092	4.2
170.02960	3.5
171.11694	7.9
173.13292	4.0
175.29097	3.3
187.14818	4.8
233.06424	3.4
287.79138	3.7
427.48593	4.3
437.34137	11.5
451.57019	3.9
493.34744	3.7
511.38382	5.0
529.38879	100.0
530.39130	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	529.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.9
53.03935	5.8
55.01864	2.4
55.05509	29.0
57.03433	5.5
57.07070	4.6
62.78240	1.8
65.03939	4.0
67.05505	79.1
69.07065	30.3
71.04977	3.2
73.87305	2.1
74.23373	1.7
78.10851	1.5
79.05492	68.4
81.03426	2.0
81.07054	91.9
83.04979	6.1
83.08620	13.3
85.06544	4.2
85.61999	1.8
90.54903	1.6
91.05473	42.2
93.07042	79.0
93.07636	3.8
95.04967	11.9
95.08611	40.2
97.06520	9.2
97.10181	4.0
99.08133	2.5
105.04517	1.9
105.07030	29.6
107.08593	37.7
109.06493	3.6
109.10168	13.0
111.08081	6.3
117.07014	13.8
119.08583	24.0
121.10141	32.6
123.11691	3.6
129.07025	5.9
130.07794	2.3
131.08554	25.5
133.10129	17.6
135.08113	2.4
135.11694	15.8
139.11153	2.0
143.08551	5.3
145.10117	15.8
147.11725	8.2
149.13248	28.8
155.08574	2.3
157.10153	6.9
159.11681	21.2
161.13293	4.4
169.10185	3.0
171.11713	7.6
173.11972	1.8
173.13246	10.1
175.14799	2.5
177.12833	4.7
183.11693	3.8
185.13321	5.2
187.14824	3.5
195.11874	2.0
195.13727	4.1
199.14870	3.5
201.16403	2.8
256.26349	4.9
261.22186	5.4
393.62411	1.7
408.70935	2.1
419.33231	2.8
437.33994	11.1
455.35208	4.5
467.27316	2.2
511.37558	4.2
529.38885	100.0
530.39178	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	529.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13560	0.4
55.05502	1.3
67.05488	1.9
69.03429	1.0
69.07043	0.6
69.42007	0.8
69.42412	3.3
73.02915	0.4
79.05473	1.4
81.03407	0.9
81.07042	1.3
85.02878	1.2
91.05463	1.3
93.07036	1.5
95.04952	1.0
95.08610	0.9
97.02882	0.4
97.06505	0.6
99.57055	0.4
105.07030	1.2
107.08596	1.1
109.10175	1.3
112.12069	0.4
117.06995	0.6
119.08565	0.9
123.04436	0.4
125.09650	0.4
131.08521	0.5
133.10139	0.5
139.03893	0.9
143.08575	0.5
147.04395	0.5
203.05258	1.4
219.94350	0.4
275.20065	0.8
349.26901	1.3
489.65915	0.5
499.32300	1.2
529.33386	100.0
530.33594	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	529.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.4
63.86877	0.3
67.05482	0.5
69.03428	0.5
71.14272	0.6
71.14612	0.3
79.05482	0.9
81.03409	0.8
81.07044	1.1
83.08649	0.3
83.98792	0.3
85.02867	0.4
90.07143	0.3
91.05473	0.9
93.07049	0.7
95.04958	0.5
95.08619	0.6
99.49319	0.3
105.07031	1.0
107.04917	0.4
107.08611	0.5
109.10163	0.5
112.89185	0.4
119.08552	0.7
121.10101	0.3
123.04375	0.4
133.10107	0.3
139.03908	0.7
145.10165	0.7
147.04375	0.4
147.11674	0.3
167.07033	0.4
193.12225	0.4
203.05237	3.9
349.27136	16.0
350.27509	0.6
367.28226	0.8
407.08939	0.3
529.33429	100.0
530.33820	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87831	5.0
51.89010	5.2
53.03943	7.8
54.09881	5.8
55.01873	38.7
55.05508	45.2
57.03427	20.2
61.02923	36.6
67.05499	65.9
69.03424	21.9
69.07077	33.5
69.78761	42.3
71.04989	8.2
73.02926	22.1
79.05494	73.6
79.23065	6.6
81.03412	23.9
81.07063	63.7
83.04992	21.1
83.08617	24.3
85.02901	39.8
85.06557	9.7
90.44933	5.3
91.03948	18.1
91.05471	45.3
93.07052	44.5
95.04961	15.7
95.08591	41.5
97.02887	30.7
97.06545	41.5
97.10186	25.7
98.20841	11.2
103.04092	6.5
105.07045	46.7
106.66792	5.7
107.04962	25.9
107.08590	61.7
109.02880	12.2
109.06507	10.7
109.10168	31.5
117.07006	17.8
119.08579	31.9
121.06498	10.4
121.10172	23.0
123.04456	6.8
123.11691	12.1
125.09621	28.1
127.03930	17.3
129.07028	8.0
131.08546	25.5
133.06477	5.9
133.10139	22.8
135.08060	12.7
135.11723	11.3
139.07564	5.9
143.08583	6.9
145.10149	17.9
147.04395	11.3
147.11688	17.3
149.09555	30.4
149.13226	6.2
157.10091	11.0
159.11674	14.4
161.13257	11.1
163.11165	16.2
171.10175	16.0
173.13263	8.8
175.11061	6.4
177.93695	5.9
183.11681	7.0
189.11211	36.5
189.12680	7.4
221.08109	18.4
227.12823	35.8
245.13686	16.7
253.17957	17.0
257.19022	11.7
275.20059	79.6
343.06473	6.1
349.23618	81.6
367.24805	28.5
529.33478	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	12.5
55.01865	22.4
55.05510	35.2
57.03425	19.9
58.11761	4.8
61.02927	44.1
61.48270	4.9
63.49187	5.5
65.03930	4.8
67.05505	74.4
69.03419	29.9
69.07056	28.8
71.04993	9.4
71.58762	8.2
73.02898	14.2
79.05487	60.1
81.03431	24.3
81.07053	100.0
83.04974	18.6
83.08606	15.7
85.02897	37.8
85.06516	5.5
91.03954	27.7
91.05475	66.1
93.07046	54.4
95.04952	18.1
95.08599	41.0
97.02873	27.7
97.06523	28.5
97.10157	6.9
101.02327	6.5
105.07024	57.9
107.04945	24.6
107.08599	35.7
109.02862	8.8
109.06509	20.3
109.10156	26.3
111.08108	5.2
115.54882	4.7
117.07025	24.1
119.08586	53.7
121.06542	9.8
121.10124	17.7
125.09620	13.1
127.03934	9.7
128.06216	5.3
129.05389	6.1
129.07002	7.9
131.08569	22.5
131.85030	4.8
133.10129	30.5
135.08035	8.1
135.11656	18.2
137.09641	8.0
142.84479	5.4
143.08578	8.0
145.06462	6.6
145.10100	29.1
147.11653	17.1
149.09589	19.0
149.13242	20.1
157.10103	11.3
159.11708	22.3
161.09715	5.8
161.13260	5.5
163.11200	11.1
165.12755	5.5
169.10107	9.2
171.10146	10.7
171.11661	8.8
173.13196	7.9
177.12740	10.7
189.11198	9.5
191.75127	5.3
195.13681	9.1
227.12834	8.9
248.65852	5.4
257.19055	16.0
267.15805	10.2
269.17493	18.2
271.15524	6.5
275.20053	90.2
349.23648	45.6
367.24719	58.8
404.90186	5.3
518.35602	5.4
529.33600	97.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66316	3.3
51.30375	4.1
53.03938	6.7
54.46505	3.2
55.01881	17.7
55.05515	30.6
56.88704	3.3
56.99834	3.6
57.03428	24.1
57.07082	4.8
58.83936	3.8
59.84570	4.0
61.02933	48.9
67.05505	66.6
69.03429	32.8
69.07078	28.3
71.01325	3.7
71.04961	9.2
71.59349	4.1
71.59786	5.3
73.02922	19.0
79.05493	55.0
81.03419	29.4
81.07062	100.0
83.04980	13.3
83.08609	17.5
85.02905	53.4
85.06525	8.7
91.03956	29.0
91.05473	50.3
93.07048	52.4
94.62589	3.5
95.04956	23.9
95.08613	44.1
95.32895	3.7
96.05758	3.9
97.02895	42.0
97.06548	26.0
97.10175	10.4
99.04463	8.8
99.08064	6.6
101.02345	5.3
105.07023	56.3
107.04968	19.2
107.08601	28.9
109.02864	12.1
109.06521	15.0
109.10184	19.5
111.08070	7.7
117.07021	21.4
119.08580	48.4
121.06474	8.2
121.10139	21.4
123.04405	4.1
123.08059	9.1
123.11712	11.0
125.09599	7.9
127.03894	14.9
129.06967	8.8
131.08530	24.2
133.06595	3.4
133.10124	38.1
135.08054	12.4
135.11691	15.6
137.09616	6.9
143.08571	5.9
145.04930	8.1
145.10083	25.8
147.11674	29.1
149.09613	11.3
149.13222	14.5
151.11185	8.3
157.10127	9.0
159.11703	14.5
161.13242	7.6
163.11211	7.3
165.12691	6.8
169.10017	4.3
171.11621	4.4
173.13243	14.0
175.11301	4.0
177.12782	8.3
193.12170	5.5
195.13817	11.2
236.20996	4.2
239.18019	3.9
247.20546	8.0
257.19028	11.3
258.40674	4.3
269.17462	19.3
275.20038	72.8
285.17123	6.0
293.21246	6.4
301.14410	5.1
349.23715	42.9
367.24756	33.8
499.32800	5.3
529.11493	4.1
529.33545	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53654	3.5
52.78146	3.9
60.06186	3.8
68.81316	3.6
69.23829	7.3
69.24235	41.7
70.92451	3.6
91.22469	3.9
118.06570	23.4
132.08072	8.1
144.08069	18.3
146.06007	59.8
153.01851	6.0
170.06064	6.6
188.07054	100.0
189.07268	5.3
205.09712	37.8
237.05379	4.7
254.25398	4.3
274.82214	3.9
308.79236	4.2
380.94830	4.7
424.34793	4.3
493.06696	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.6
55.05507	19.9
57.03424	8.2
57.07074	3.7
57.90075	2.5
67.05506	94.6
67.84207	2.4
69.03421	5.2
69.07069	19.0
70.33701	7.8
71.01347	5.1
71.04995	4.6
71.08628	2.3
73.02900	5.6
79.05490	40.1
81.03405	8.7
81.07059	100.0
83.04964	3.7
83.08613	14.6
85.02914	14.7
91.05477	32.1
93.07050	57.4
95.01324	9.2
95.04958	10.6
95.08604	70.3
97.06517	5.6
97.10165	5.6
99.08080	3.1
105.06381	3.1
105.07037	29.5
107.08592	38.0
109.06452	2.3
109.10160	37.6
113.02386	5.2
113.09663	2.7
117.07009	11.9
117.63820	2.5
119.08584	22.4
121.06463	2.9
121.10155	35.5
123.08067	2.6
123.11697	18.5
125.09590	2.8
129.06984	5.3
131.08592	24.6
133.10135	16.4
135.07977	2.4
135.11691	26.8
137.13240	7.5
141.01900	11.8
141.06892	3.0
143.08588	7.6
145.10129	22.5
147.11702	14.1
149.09561	3.0
149.13286	13.1
155.08501	4.2
157.10152	4.4
159.11734	17.5
161.13264	7.3
163.11179	2.8
163.14836	10.3
165.12711	2.8
169.10120	2.5
171.11702	3.0
173.13213	12.0
175.14752	3.0
177.12773	2.7
177.16348	4.4
185.13263	2.5
187.14778	7.7
199.14787	2.6
201.16704	2.3
243.21094	20.1
261.22150	76.9
262.22446	2.4
279.23129	4.6
326.77371	2.4
335.25885	20.3
353.26895	55.2
368.17224	2.6
529.35614	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	529.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16362	2.6
59.23623	3.0
61.60323	2.7
69.03403	11.5
70.06583	3.2
71.58762	3.9
79.05444	3.4
81.03415	4.1
81.07062	3.7
85.02911	11.5
86.09675	4.0
87.00835	8.1
91.05480	3.8
97.02876	8.1
105.07019	4.2
107.08597	6.1
109.02882	8.9
109.06531	3.8
115.05406	3.7
119.08584	6.4
121.06458	4.9
123.04420	5.0
123.08100	4.2
127.03954	7.6
128.06198	3.1
129.30238	3.5
129.31348	2.9
133.10136	3.5
135.08049	100.0
141.07014	3.4
145.10118	4.1
147.04362	4.3
149.50037	3.0
156.09309	3.1
159.08073	5.5
159.11694	8.9
172.08875	4.8
173.09633	10.9
181.79504	3.4
187.11159	33.3
199.11203	7.8
203.10645	9.8
215.10611	22.5
217.12315	7.8
233.11719	44.6
245.11720	27.7
263.12741	33.9
298.57965	4.1
300.63385	3.8
348.18362	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	529.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60068	3.0
52.51186	3.7
53.03933	3.8
57.54867	3.2
64.54123	4.0
69.03429	13.1
70.06596	5.1
70.16354	16.6
71.03104	3.8
78.67857	3.3
79.05491	4.9
81.03419	10.4
81.07041	3.3
85.02930	18.7
87.00851	8.1
88.52454	3.5
91.05448	4.8
93.07048	3.8
97.02922	12.6
97.06612	3.2
98.20860	4.7
99.04416	5.4
105.07053	4.2
107.08598	4.1
109.02892	6.6
111.04485	3.9
117.10889	3.4
119.08567	10.0
123.04441	4.2
123.08101	4.2
127.03925	10.2
131.08597	8.5
135.08057	100.0
142.07860	3.2
145.10097	5.8
157.10204	3.5
159.08040	7.8
159.11743	13.3
165.09096	3.8
165.67851	3.3
171.11850	4.1
172.08844	10.3
173.09653	15.1
173.13446	3.6
187.11192	45.9
197.46667	3.5
199.11156	8.1
203.10707	13.6
215.10666	33.6
217.12198	5.3
233.11703	50.4
245.11763	38.0
263.12805	35.6
353.04504	4.1
529.26227	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	527.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.01867	2.9
55.05512	15.7
57.03424	3.9
57.07059	3.2
64.53760	1.1
65.03947	3.1
66.14302	1.0
67.05506	34.3
67.97372	1.1
69.07069	10.5
69.94981	3.9
69.95380	1.9
71.04993	2.8
73.06042	1.1
74.93871	1.1
79.05494	27.4
81.03418	8.8
81.07056	34.1
83.04974	3.6
83.08613	9.5
83.23878	1.1
85.06521	2.7
91.05478	22.4
93.07044	24.6
95.04953	7.0
95.08598	17.8
97.06525	3.1
97.10159	5.3
98.20818	1.9
103.05499	2.0
105.07035	21.6
107.08596	14.7
109.10167	8.8
111.08053	2.4
115.05450	2.3
117.07008	14.9
119.08569	18.6
121.10148	9.0
123.11663	2.6
125.09613	2.6
128.06210	3.4
129.06999	13.8
131.08563	24.1
131.70210	1.3
132.62761	1.3
133.10129	10.3
135.11668	4.9
137.04224	1.2
141.06952	6.7
142.07779	3.2
143.08549	17.2
144.09317	1.6
145.10130	19.8
147.08061	1.5
147.11670	6.5
149.13260	3.0
155.08568	12.1
156.09271	2.2
157.10133	18.0
159.11690	12.0
161.13278	3.9
167.08545	4.5
168.09349	2.5
169.10132	14.5
171.11690	15.6
173.13316	7.2
175.11237	1.6
175.14822	2.7
181.10110	6.5
183.11679	12.1
185.13258	10.2
187.14803	3.0
193.10271	2.2
193.12242	4.5
195.11717	6.3
197.13268	7.1
199.14799	7.2
205.10132	1.4
207.11696	1.6
209.13234	5.4
211.14815	5.2
213.16370	3.8
221.13327	3.4
223.14813	4.0
225.16377	2.8
233.95815	1.3
235.14894	2.1
237.16373	3.3
239.17896	1.8
243.17395	1.4
249.16501	1.7
256.26419	1.6
257.19257	1.3
281.19101	1.7
283.20428	1.9
297.22046	1.9
309.22086	2.0
321.22192	1.3
323.23569	2.2
327.23276	2.8
335.23694	1.7
339.23160	2.0
341.24969	1.6
353.24628	1.5
367.26349	1.7
416.22717	1.3
417.31589	7.5
435.32599	19.9
453.33621	11.5
471.34772	5.8
473.34116	1.8
491.34912	1.9
509.36423	12.2
527.37231	100.0
528.37750	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	527.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01868	2.6
55.05510	14.9
57.03434	3.7
57.07082	2.2
59.05008	1.2
65.03931	1.5
67.05505	32.9
69.03429	1.3
69.07066	13.0
69.55312	2.7
69.55730	4.9
71.04990	3.3
79.05496	21.8
81.03435	3.9
81.07056	28.4
81.07526	1.7
83.04981	2.6
83.08629	7.4
85.02942	1.3
85.06561	1.9
91.05480	22.1
93.07042	23.9
95.04980	4.0
95.08612	18.3
95.47631	1.0
97.02924	1.2
97.06535	3.6
97.10179	5.6
101.06026	0.8
105.07030	21.9
107.04952	1.5
107.08601	11.6
109.06516	2.7
109.10164	7.9
111.08073	1.8
115.05489	1.7
117.07018	12.1
119.08588	16.0
121.06541	1.2
121.10150	9.6
123.08089	1.5
123.11739	2.0
125.09641	3.5
128.06238	3.7
129.07021	10.9
130.07770	2.0
131.08575	20.1
131.09529	1.6
131.59492	0.9
133.10143	10.8
135.08067	1.3
135.11713	4.4
139.11188	1.4
141.06987	4.5
142.07793	4.0
143.08568	15.5
145.06479	1.5
145.10132	18.3
147.11635	5.1
149.13225	4.8
154.07860	1.3
155.08571	9.3
156.09366	1.6
157.10136	15.1
159.08150	0.8
159.11687	14.4
161.09703	1.3
161.13258	2.0
167.08578	3.1
168.09341	1.4
169.10149	11.5
171.08075	0.9
171.11690	13.6
173.11852	1.3
173.13203	7.3
175.11208	1.6
177.12830	1.4
179.08615	1.1
181.10043	4.4
183.11699	9.9
185.09691	1.0
185.13246	10.1
187.14821	3.0
189.11273	1.1
193.10326	1.0
193.12239	2.2
195.11758	3.9
197.13272	5.4
199.11194	1.4
199.14832	7.2
201.16472	1.7
207.11760	2.6
209.13284	3.0
211.14862	4.2
213.16470	1.4
221.13280	2.2
223.14882	2.2
225.16409	1.9
233.12770	1.1
237.16365	1.7
239.17935	1.2
241.19542	1.1
251.18024	1.8
251.91034	0.9
259.20535	2.2
265.19763	0.9
267.21017	1.0
275.20331	0.9
279.21231	1.0
283.20697	1.6
297.22067	1.9
301.21927	1.3
301.25339	2.4
309.22116	1.8
323.23575	1.0
339.23050	1.0
341.24603	1.2
353.24756	1.1
379.26572	1.3
407.33289	1.6
417.31662	4.7
425.34415	1.5
435.32611	17.1
453.33701	9.1
471.34827	4.7
473.34033	1.1
491.35129	1.2
508.62366	1.0
509.36115	6.2
527.37360	100.0
528.37726	1.4
551.01923	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.5
55.01863	2.6
55.05508	17.8
57.03437	5.2
57.07067	2.4
65.03928	2.5
67.05502	41.1
69.03412	1.1
69.07063	13.1
69.68247	8.2
71.04972	2.9
79.05489	26.4
81.03422	11.5
81.07055	35.7
83.04974	4.8
83.08614	10.5
84.67814	1.2
85.02903	1.3
85.06552	2.0
91.05479	30.5
93.07040	25.6
93.31351	1.2
95.04964	8.5
95.08602	23.2
96.73439	1.1
97.06537	3.0
97.10165	6.2
99.08101	1.8
105.04526	1.2
105.07031	22.8
107.04970	2.5
107.08582	16.8
109.06546	2.2
109.10144	13.4
111.08092	2.8
115.05430	2.5
117.07009	11.4
119.08578	17.6
121.06516	1.4
121.10138	10.6
123.08102	3.0
123.11735	1.4
125.09630	4.1
128.06230	3.7
129.06995	13.0
130.07785	1.6
131.08562	23.5
133.06535	1.4
133.10127	15.0
135.11696	6.7
141.06946	5.5
142.07799	3.9
143.08571	16.6
145.10110	18.5
147.08073	1.5
147.11694	8.9
149.13255	3.9
154.07741	1.5
155.08553	9.2
156.09402	1.7
157.10123	17.3
159.11674	12.4
161.13277	3.8
163.11189	1.2
165.06923	1.2
167.08553	3.1
168.09377	1.2
169.10118	12.8
171.11684	10.7
173.11867	2.0
173.13298	6.9
175.11255	2.6
175.14865	2.0
179.08659	1.9
181.10156	4.7
183.11688	10.3
185.13199	8.9
187.14830	4.1
193.10429	1.8
193.12286	6.6
195.11627	5.4
197.13240	7.5
199.13237	1.4
199.14777	5.8
207.11757	2.2
209.13286	4.5
211.14774	6.5
213.16403	1.6
221.13303	2.3
223.14853	4.0
225.16403	3.2
235.14859	2.1
237.16396	1.6
251.18146	1.6
261.22202	2.6
291.71146	1.3
293.22491	1.3
297.21976	1.6
299.23700	1.4
309.22064	1.4
315.23099	1.4
323.23718	2.0
325.21619	1.6
327.22946	1.9
337.25287	1.5
339.23273	1.5
353.24835	1.8
383.24146	1.3
417.31631	6.8
435.32602	18.4
453.33633	12.0
471.34598	4.3
473.33920	1.3
509.36218	7.7
527.37292	100.0
528.37952	4.5
537.57916	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.01865	2.6
55.05275	1.5
55.05514	20.1
57.03421	4.8
57.07078	3.6
57.84133	1.6
58.62807	1.5
64.38673	1.6
65.03917	1.8
66.40037	1.5
67.05174	2.5
67.05504	36.1
69.03465	1.7
69.07054	15.7
71.05000	3.4
71.08630	2.4
72.46762	1.6
79.05498	24.5
81.03386	2.1
81.07058	32.0
83.04957	3.0
83.08619	6.6
89.06036	3.6
90.06375	1.9
91.05479	24.9
93.07039	24.5
95.04969	6.8
95.08608	24.3
97.06506	2.6
97.10192	2.6
99.08085	2.2
105.07024	28.6
107.08596	12.4
109.06494	2.4
109.10161	10.2
115.05444	3.4
117.07021	19.8
119.08585	21.1
121.10159	8.7
123.11691	3.5
128.06209	3.8
129.06982	16.1
131.08559	23.4
133.08559	2.1
133.10136	13.8
135.08087	2.2
135.11673	4.8
141.07011	6.5
142.07765	5.7
143.08562	20.1
145.10106	18.6
147.11688	8.0
149.09677	2.7
149.13231	2.8
155.08521	9.4
156.09450	2.5
157.10126	19.1
159.11713	11.0
161.13272	4.6
167.08592	3.8
169.10187	13.5
171.11726	17.8
173.13269	7.7
181.10147	7.2
183.11714	12.6
185.13264	10.1
187.14824	4.0
193.10181	2.8
195.11716	6.8
196.87843	1.8
197.13284	7.9
199.14850	5.4
207.11638	2.3
209.13258	6.1
211.14842	3.2
213.16464	3.3
216.51939	1.7
221.13245	1.8
223.14818	5.3
225.16389	2.6
227.17995	2.2
233.13380	1.8
235.14836	2.0
241.19684	2.4
242.19472	1.7
251.69458	1.8
259.20569	4.9
261.22333	2.2
283.20538	3.3
297.22247	3.2
311.23779	2.3
315.23096	2.1
323.23560	2.8
347.23907	1.9
417.31522	6.4
435.32571	21.4
438.66840	1.9
453.33517	10.7
471.34695	5.9
473.34033	1.8
491.34781	2.5
509.36234	11.0
527.37299	100.0
528.37384	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.6
55.01868	2.5
55.05509	15.8
57.03419	4.8
57.07059	1.8
61.75766	1.3
61.93623	1.4
67.05501	31.4
69.07058	12.9
69.24627	4.4
69.25050	11.7
74.20844	1.2
77.03896	1.3
77.98055	1.2
79.05486	23.1
79.05915	2.8
81.03424	1.6
81.07052	29.0
83.04972	3.6
83.08614	7.3
85.06543	2.1
91.05476	23.1
93.07037	24.2
95.04953	4.0
95.08604	22.5
97.06538	3.0
97.10166	5.9
105.07028	24.1
107.08578	10.8
109.06497	3.6
109.10162	9.2
111.08048	1.4
115.05458	1.6
117.07007	15.2
119.08575	18.3
121.10117	8.4
123.08057	1.8
125.09621	1.8
128.06245	5.0
129.06993	16.2
131.08560	23.1
133.10121	15.7
135.08032	1.6
135.11690	5.0
137.09674	1.6
141.06981	5.0
142.07767	5.1
143.08557	22.5
145.10121	22.0
147.11691	6.7
149.09549	1.7
149.13297	2.9
151.11191	2.0
153.06950	1.8
155.08536	16.7
156.09354	2.3
157.10123	17.1
159.11682	14.9
161.13254	3.6
167.08575	4.0
168.09317	2.6
169.10114	13.6
170.64955	1.5
171.11662	19.5
173.13254	11.2
179.08531	2.4
181.10085	7.5
182.10957	1.8
183.11688	14.4
185.13245	9.7
187.14807	5.0
193.10077	1.5
195.11685	5.3
197.13243	10.2
199.14825	6.8
207.11847	1.5
209.13326	4.4
211.14757	7.5
213.16428	2.8
221.13277	4.0
223.14853	3.8
225.16415	2.8
227.18007	1.7
235.14835	2.2
237.16379	1.6
239.18004	1.9
249.16344	2.1
259.20609	2.7
279.20950	1.5
283.20602	2.2
309.22192	3.2
311.23685	2.1
313.21765	1.5
323.23764	3.9
335.23495	1.9
337.25314	1.6
339.23154	1.6
341.24689	1.5
351.26849	2.1
355.26257	1.8
402.07971	1.5
407.33243	2.0
417.31506	8.4
435.32535	23.2
453.33719	11.0
471.34805	3.2
473.34457	1.8
491.35291	2.6
509.36078	12.5
527.37317	100.0
528.37177	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	1.6
55.01870	2.9
55.05515	18.8
56.96566	2.2
57.03434	4.0
57.07055	1.8
67.05172	2.6
67.05504	34.5
69.03426	2.8
69.07063	10.5
69.44324	12.8
79.05494	26.1
81.03416	13.8
81.07056	30.4
83.04965	2.9
83.08623	9.2
91.05481	24.3
93.07050	22.5
95.04961	6.8
95.08604	17.6
97.06542	4.7
97.10161	6.6
99.08077	2.0
105.07031	19.1
107.04940	1.6
107.08615	12.8
109.06513	2.3
109.10184	9.2
111.08091	4.8
115.05463	1.5
117.07022	11.5
119.08571	15.6
121.10140	11.5
123.08030	1.9
123.11670	2.1
125.09640	4.7
128.06250	3.5
129.07005	12.8
131.08580	19.3
133.10103	10.3
135.11670	2.9
137.09607	1.9
141.06984	5.5
142.07745	2.3
143.08559	17.4
144.09290	2.2
145.10123	16.4
147.11684	6.2
155.08594	12.4
157.10141	17.3
159.11655	11.0
161.13249	3.2
163.11153	1.5
167.08514	3.1
169.10106	13.3
171.11661	10.7
173.13258	7.4
175.11209	1.6
175.14827	1.8
179.08505	2.0
181.10155	6.0
183.11684	10.5
185.13240	7.3
187.14781	2.9
189.12752	1.5
190.37639	1.5
193.10425	1.7
193.12259	7.2
195.11681	3.4
197.13272	8.1
198.97546	1.6
199.14871	3.8
207.11798	3.4
209.13297	4.5
211.14874	4.7
213.16374	2.9
221.13315	2.6
223.14908	2.6
225.16431	2.3
235.14748	1.6
241.74362	1.6
261.22110	3.2
265.19525	2.0
297.22061	1.6
309.22180	1.6
325.21844	1.7
339.22937	2.1
341.24884	1.6
417.31467	4.6
435.32623	16.3
453.33801	10.5
471.34756	4.2
509.36478	8.4
526.59985	1.7
527.37299	100.0
528.37756	6.2
537.57245	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.9
55.01866	2.9
55.05513	15.9
57.03440	4.7
57.07070	2.4
65.03958	2.3
67.05504	38.2
69.07069	15.8
69.13721	1.4
71.05001	2.1
79.05490	23.0
81.03443	7.6
81.07059	29.2
83.04968	3.1
83.08614	9.6
85.06538	2.7
87.15858	1.5
91.05479	20.2
93.07034	22.8
95.04951	7.1
95.08608	18.1
97.06561	1.9
97.10173	6.0
105.07036	21.6
107.08578	14.3
109.06531	2.2
109.10146	10.2
111.08090	1.6
115.05379	2.0
117.07020	12.3
119.08580	15.6
120.74580	1.4
121.10140	9.9
123.11664	2.4
125.09624	2.2
128.06232	3.7
129.06998	11.7
130.07845	1.5
131.08543	20.5
133.10158	11.4
135.08086	1.7
135.11696	6.9
140.69957	1.4
141.06992	3.5
142.07797	3.5
143.08542	13.7
145.02786	1.7
145.10120	20.9
147.11694	5.5
149.09700	1.5
149.13251	5.3
154.07809	1.6
155.08565	8.0
156.09293	1.9
157.10146	15.6
159.11676	13.8
161.13264	2.9
167.08600	2.1
168.09303	3.1
169.10110	12.6
171.11682	13.5
173.11890	2.0
173.13275	7.7
175.11215	1.9
177.05498	3.3
180.39238	1.4
181.10135	4.9
183.11642	9.2
185.13264	8.7
187.14827	2.2
193.10239	1.3
193.12177	3.0
195.11697	4.2
197.13292	9.7
199.14824	4.9
200.99731	1.4
209.13171	3.3
211.14876	4.0
213.16435	3.2
223.14853	3.1
225.16415	3.1
237.16362	2.9
239.17870	1.8
241.19487	1.8
259.20511	1.9
261.22202	1.8
275.20276	1.4
295.23547	1.4
297.18918	1.4
297.22400	2.1
311.23785	2.0
315.23178	2.9
323.23715	2.5
327.23279	1.8
337.25357	2.0
341.24515	2.0
417.31494	5.1
435.32721	15.9
453.33691	8.7
471.34714	6.0
491.35196	2.0
509.36163	7.8
527.37305	100.0
528.37750	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	527.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19498	2.1
53.03939	7.3
55.01872	9.1
55.05512	31.1
57.03437	14.2
59.05001	2.1
61.02929	17.8
65.08120	2.4
67.05505	43.9
69.03426	27.4
69.06770	2.6
69.07071	24.9
71.01333	3.2
71.04987	7.6
71.11566	4.3
71.11910	2.6
73.02916	9.8
79.05496	32.5
81.03426	32.2
81.07063	40.3
83.04983	10.6
83.08608	18.9
85.02910	27.1
91.03953	9.5
91.05477	30.2
93.07045	32.2
95.04970	18.8
95.08602	14.2
97.02895	29.4
97.06533	6.2
97.10168	22.9
99.04462	7.6
101.02379	2.7
103.03973	2.7
105.07008	16.1
107.04963	10.2
107.08602	21.2
109.02870	7.6
109.06535	6.3
109.10157	18.3
111.04472	3.7
111.08083	6.5
115.03954	2.6
117.07015	10.4
119.08567	15.6
121.06516	5.4
121.10164	6.5
123.08099	8.5
125.09627	16.3
127.03928	13.7
129.05493	3.7
129.07005	5.5
131.08578	10.4
133.10132	7.7
135.08063	6.3
135.11737	6.5
139.80341	2.5
141.07024	2.3
143.08554	3.5
145.10123	6.3
147.08054	7.8
147.11696	5.7
149.09625	5.1
149.13292	3.8
157.10146	4.7
159.11685	4.0
161.09587	5.6
163.11185	4.8
165.09157	2.6
171.11745	4.2
172.39975	2.2
175.11250	3.8
189.11287	13.1
193.12294	9.2
205.12285	2.8
211.13240	6.6
223.13315	22.3
225.08894	3.3
227.12793	4.9
227.17972	3.4
229.14452	4.7
236.59303	2.3
245.19127	4.3
267.15927	3.9
273.18500	19.5
285.43723	3.0
291.19553	100.0
315.19504	4.4
347.22003	4.1
365.23148	22.9
509.27509	2.9
527.28308	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	527.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20502	1.0
55.01857	4.0
55.05505	4.0
55.53563	1.2
57.03433	8.8
61.02922	6.1
67.05502	13.0
69.03416	3.5
69.07072	2.4
71.05003	1.4
73.02905	2.9
73.87712	1.1
79.05493	8.8
81.03406	5.0
81.07050	8.8
83.04951	1.6
83.08623	2.0
85.02879	5.9
85.06547	4.9
91.03955	3.8
91.05491	7.6
92.37141	1.2
93.07053	8.3
95.04958	19.8
95.08598	5.2
97.02892	4.6
97.06554	2.4
98.06051	1.0
98.21544	1.8
105.07042	7.6
107.04990	3.6
107.08601	4.6
109.06526	14.7
109.10175	4.0
111.08086	1.4
111.26337	1.1
113.06020	14.0
115.03941	1.1
117.06957	2.3
119.08605	4.4
121.06508	2.5
121.10170	2.4
123.04486	1.5
123.08097	1.3
125.09648	1.4
127.03942	2.7
129.07034	3.1
131.08577	5.0
133.06567	1.5
133.10147	4.2
134.37381	1.2
135.08054	11.1
135.11685	1.9
139.03964	2.3
143.08559	3.5
145.10132	4.6
147.08049	1.4
149.09657	1.7
149.13260	1.7
151.11221	1.6
155.08536	1.7
157.10095	5.4
159.08047	1.6
159.11699	2.5
161.09683	1.6
161.13243	1.4
161.16881	1.1
169.10126	1.9
171.11777	1.9
183.11827	1.1
185.13365	1.7
192.07809	1.4
201.12936	1.3
203.05202	1.3
211.15083	1.1
217.15958	3.7
245.18916	1.3
258.05060	1.2
270.05167	1.6
273.18478	10.2
283.01804	1.2
291.19534	16.5
315.04962	11.6
331.08121	20.3
332.08612	1.4
365.23080	2.0
431.24777	1.3
459.52750	1.3
527.31970	100.0
528.32312	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.7
54.46704	2.3
55.01867	4.0
55.05518	20.4
57.03434	5.4
61.02925	22.1
65.03954	3.3
67.05508	31.9
69.03426	7.7
69.07069	11.6
70.05203	12.4
71.04990	3.1
73.02914	7.5
79.05492	28.4
81.03431	6.7
81.07061	32.4
82.19102	2.2
83.04982	6.5
83.08631	10.6
85.02895	21.2
85.06542	3.7
91.03968	10.1
91.05484	43.2
93.07037	27.6
94.68773	2.1
95.04966	10.9
95.08605	19.6
97.02873	11.1
97.06562	5.4
97.10175	4.6
105.07035	34.2
107.04951	5.4
107.08582	14.9
109.02822	2.9
109.06546	7.4
109.10181	8.6
111.08100	5.7
115.05500	4.8
116.06241	2.6
117.07024	25.0
119.05049	2.4
119.08580	23.6
121.06522	8.0
121.10171	10.8
123.04443	8.0
123.08098	8.4
125.06059	3.4
125.09675	3.1
127.03944	5.2
128.06224	16.5
129.07008	19.2
130.07803	7.1
131.04965	2.6
131.08571	44.5
133.06519	10.4
133.10126	15.9
135.08040	4.5
135.11697	4.6
137.05908	2.4
139.03963	6.3
139.11267	2.6
141.07001	7.4
142.07768	4.0
143.08569	57.0
145.06477	3.8
145.10123	51.1
147.08080	11.6
147.11749	7.0
149.09637	4.5
151.07509	2.6
153.01865	2.6
155.08615	6.6
157.10121	13.5
159.08066	5.7
159.11716	14.9
161.09622	11.9
161.13362	4.0
163.11287	5.6
164.35249	2.8
167.07140	3.0
167.08575	5.1
167.10686	2.4
169.10150	12.9
171.08080	3.0
171.11700	12.6
173.09641	4.8
173.13229	2.7
175.11208	4.5
177.12833	6.7
179.85603	2.6
181.10237	8.1
183.11787	9.4
185.13292	5.4
187.11412	2.1
195.11765	15.1
199.14928	3.1
201.12817	2.5
203.05333	2.8
211.15118	2.6
213.12796	2.6
227.18054	4.3
237.16475	17.8
244.49095	2.4
245.19106	3.8
255.17447	29.5
258.05356	3.5
270.05295	11.5
273.15741	2.2
273.18500	50.6
284.42963	2.5
287.05563	6.6
301.03299	2.5
302.04379	5.2
315.04987	50.1
316.05719	6.5
331.08118	100.0
332.08530	6.5
347.22137	50.2
347.25363	4.7
365.23087	3.5
527.16174	5.1
527.31989	92.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70437	1.2
53.03931	2.4
55.01873	2.2
55.05506	10.8
57.03433	3.0
57.07057	1.5
61.02928	9.4
67.05499	14.5
69.03421	4.5
69.07066	5.2
71.04978	2.3
72.99158	1.3
73.02894	2.1
79.05492	13.3
81.03412	2.7
81.07057	17.0
83.04975	2.2
83.08617	3.1
85.02886	8.3
91.03951	4.6
91.05474	21.6
93.07039	13.4
95.04973	5.3
95.08599	10.1
97.02894	4.8
97.06505	2.3
97.10172	1.7
98.20686	2.5
99.04493	1.4
105.07026	17.6
107.04962	3.5
107.08598	6.1
107.63395	1.3
108.04490	1.6
109.02828	1.4
109.06547	4.5
109.10167	5.3
111.08105	2.6
115.03917	1.3
116.06155	1.3
117.07019	13.1
119.08568	9.9
121.06518	2.6
121.10156	3.8
123.04478	2.2
123.08065	4.2
125.05962	1.8
125.09625	1.8
126.93868	1.1
127.03941	1.5
128.06195	6.1
129.07010	7.6
130.07780	2.8
131.08559	20.8
133.06483	4.1
133.10130	7.5
135.08076	1.9
135.11729	2.6
137.05997	1.9
137.09674	1.3
139.03909	4.7
141.06989	4.5
142.07816	1.7
143.08568	25.8
145.10112	20.1
147.08081	3.6
147.11646	3.5
149.09654	1.9
149.13264	1.7
153.01930	1.2
155.08539	2.2
157.10123	10.1
159.08092	3.0
159.11630	6.4
161.09625	6.7
165.07059	1.4
166.07915	1.4
167.07037	2.2
167.08641	1.8
168.02544	1.6
169.10178	5.6
171.11670	7.2
173.09630	2.2
175.11246	4.5
176.44545	1.3
177.12772	1.8
181.10159	4.2
183.11720	3.2
185.13245	3.0
195.11687	8.2
199.11209	1.9
199.14767	1.5
203.05252	3.1
227.17960	3.2
237.16347	10.3
242.05688	2.2
245.18916	1.6
255.17462	10.6
258.05310	2.8
270.05243	8.7
273.18500	24.3
287.05545	4.2
301.03363	2.5
302.04306	2.8
315.04987	33.3
316.05728	4.0
331.08109	74.6
332.08548	3.8
347.22226	23.2
347.25778	8.3
348.22571	1.4
365.23221	2.1
370.34927	1.4
527.15546	3.6
527.31952	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.7
53.77534	2.6
55.05508	10.8
57.03437	6.5
65.03925	2.9
67.05508	35.4
67.53701	2.6
69.03429	2.9
69.07057	10.3
69.29684	2.5
71.01360	7.7
71.04993	3.4
71.58913	4.8
73.02916	10.6
79.05489	37.7
81.03411	6.8
81.07060	41.0
83.01327	2.8
83.04969	4.5
83.08624	7.7
84.69130	2.2
85.02910	22.6
85.06544	7.0
91.05475	43.7
93.07045	54.7
93.63211	3.1
95.01334	18.3
95.04974	5.0
95.08601	21.3
97.06548	4.4
97.10168	2.4
99.00896	2.7
100.46002	2.7
103.03944	5.4
105.07032	49.3
107.04923	3.5
107.08594	29.9
109.10156	10.2
113.02366	8.5
117.07011	10.9
119.08576	43.6
121.10161	21.8
129.07011	5.0
131.03418	5.8
131.08568	22.6
133.10138	31.0
135.11694	21.9
141.01823	26.2
142.07858	3.5
143.08557	9.6
145.10158	20.4
147.11690	36.2
149.09644	3.5
149.13269	12.9
155.08524	3.3
157.06503	2.9
157.10132	9.2
159.02901	4.2
159.11668	16.6
161.13290	24.5
163.14818	5.8
169.10011	3.3
171.11673	12.0
173.11859	3.3
173.13277	8.7
175.14810	13.6
185.13220	8.5
199.14856	5.8
209.13185	2.7
213.16435	4.7
213.86263	3.0
226.85443	2.7
231.20970	2.5
241.19548	24.2
259.20584	68.9
261.22192	4.2
271.20511	3.6
319.49927	2.8
349.23798	4.8
351.25287	100.0
375.39035	2.6
375.56262	2.5
390.54736	3.7
399.21524	2.7
425.89301	3.1
527.28931	4.2
552.01642	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61129	1.9
53.03939	4.0
55.01863	3.7
55.05508	14.9
57.03440	11.4
57.07061	2.6
65.03957	2.5
67.05166	3.4
67.05503	39.6
69.03414	2.9
69.07067	13.0
70.27434	8.8
71.01351	7.4
71.04990	2.8
73.02921	10.9
75.04482	2.2
79.05492	50.8
81.03430	2.9
81.07057	43.5
83.01327	2.7
83.04955	3.5
83.08613	6.5
85.02903	32.2
85.06548	4.6
91.05480	41.8
93.06473	4.3
93.07046	67.6
93.07633	3.9
95.01318	17.9
95.04964	6.4
95.08610	30.1
97.02888	5.4
97.06481	2.7
97.10179	3.1
99.00801	4.5
99.08087	2.3
101.02398	3.2
103.03966	2.8
105.07029	48.6
107.08598	35.9
109.06539	4.3
109.10147	13.5
111.08082	2.3
113.02370	11.6
113.09648	2.2
117.07014	12.9
119.08584	40.3
121.10139	29.3
123.11729	2.6
125.09599	3.0
129.07036	6.9
131.03400	6.4
131.08566	16.7
133.09122	2.8
133.10127	42.8
135.08044	3.0
135.11682	26.2
141.01834	17.4
141.06863	2.4
142.07806	2.6
143.08553	7.9
144.09279	2.1
145.10109	21.5
147.04379	2.2
147.11681	34.4
149.09628	3.0
149.13240	20.6
155.08507	2.6
157.10153	9.0
159.11693	21.2
161.13240	27.9
163.11153	5.2
163.14828	6.4
169.10062	2.9
171.11726	13.3
173.13263	11.1
175.11148	4.0
175.14807	18.6
176.80997	2.0
177.12637	3.6
185.13268	10.7
187.14745	2.9
199.14816	5.2
204.61755	2.0
213.16345	3.6
221.15298	2.7
231.17447	3.0
231.21103	6.4
241.19493	27.6
257.18954	2.3
259.20590	70.9
277.21609	9.9
301.21674	1.9
333.24344	10.8
349.23642	3.1
351.25302	100.0
352.25986	2.6
353.21002	2.6
435.25153	2.3
526.89722	1.9
527.29102	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	527.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33569	1.0
53.03933	2.0
61.82471	1.0
67.05478	1.8
68.99767	1.5
69.59191	6.6
69.59607	1.9
79.05479	5.0
81.03407	2.4
81.07047	2.1
91.05479	2.3
93.07039	1.6
95.04992	5.2
103.05460	2.0
105.07003	1.3
107.04954	57.0
110.69165	1.0
117.23903	1.2
119.04961	1.5
120.05779	1.4
121.06496	1.9
121.31673	1.1
123.04439	3.5
125.05975	4.6
131.04927	13.6
131.08524	1.0
132.05702	8.1
133.02864	1.5
133.06467	1.9
135.04436	5.6
135.05371	1.4
137.02341	44.6
137.05974	100.0
147.04417	8.5
148.05188	1.6
149.05933	1.9
150.06769	3.2
155.03391	2.6
161.06021	2.7
162.06682	1.2
163.03926	10.8
181.06488	1.4
187.03893	5.6
195.08052	1.3
197.06000	3.2
215.07036	2.9
224.08224	1.3
225.05475	1.9
225.09137	2.3
229.04965	2.2
241.08426	1.5
243.06549	4.7
253.08461	1.7
255.06354	1.6
255.10207	4.5
256.10880	6.0
271.05997	7.8
271.09518	2.2
297.07602	9.8
377.13470	1.2
391.11746	5.4
403.11710	3.8
421.12701	17.8
527.16943	14.6
537.49921	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	0.4
53.03946	0.4
55.01858	1.2
55.05501	0.6
57.03415	0.3
64.14780	0.2
65.03949	1.3
67.05489	1.0
68.99787	1.4
69.03410	0.9
69.07057	0.5
69.63578	1.9
72.64054	0.3
79.05479	0.9
81.03423	0.5
81.07042	1.0
83.04976	1.4
85.02892	0.8
91.05476	0.9
93.03410	0.6
93.07040	0.7
95.04982	0.5
95.08591	0.4
97.02870	0.5
97.06499	0.3
97.10153	0.3
98.20695	0.5
103.05492	0.4
105.07037	0.6
106.40694	0.3
107.04942	0.8
107.08560	0.9
109.10167	0.5
111.04445	5.4
117.07007	0.5
119.04920	0.6
119.08563	0.6
121.02871	0.6
121.06590	0.3
121.10141	0.5
123.04422	1.6
127.03928	0.3
129.07039	0.3
131.08572	0.3
132.05699	0.3
133.06508	0.3
133.10138	0.6
135.04396	0.5
135.08002	0.3
135.11716	0.4
137.05919	0.3
139.03897	100.0
140.04233	0.9
145.06465	0.4
145.10092	0.5
147.04366	1.3
147.11703	0.4
149.05937	0.5
151.03874	2.9
151.07515	0.3
161.06030	0.4
162.06784	1.2
162.55197	0.3
163.03923	3.6
165.05498	1.0
167.07068	0.3
175.03961	0.5
177.05516	0.7
178.06226	1.0
179.06956	0.5
181.04932	0.5
181.08566	0.4
183.32806	0.3
189.05481	0.3
190.06227	3.1
191.03375	0.9
193.08598	2.5
205.04945	1.8
206.05766	1.0
209.04437	0.5
221.08089	12.4
245.30772	0.3
259.20648	0.4
271.06036	0.5
287.05411	0.3
289.07016	2.8
331.11829	0.4
351.25351	0.5
483.25137	0.4
527.24933	0.8
527.32520	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00137	0.9
56.96564	7.3
57.03435	2.2
59.67688	1.0
60.77845	0.8
61.02916	1.4
69.03426	5.9
70.06589	1.5
70.88543	3.4
71.04986	2.1
71.77531	0.9
73.02917	1.9
80.64278	1.0
81.03405	2.9
82.27937	0.7
84.96049	2.1
85.02905	12.0
87.04458	1.6
91.05477	1.1
94.18758	0.9
96.61778	0.9
97.02907	8.4
97.07790	1.1
98.97581	12.3
99.04455	1.2
100.98302	0.9
101.00841	2.3
101.06023	1.0
103.02439	1.6
107.04946	1.1
109.02859	1.6
110.97545	1.8
112.99148	2.7
115.02419	2.7
116.98611	10.2
119.01914	8.0
119.04937	1.3
123.04468	1.2
127.03887	2.3
128.98578	4.7
129.03955	1.2
131.00198	5.1
131.01915	8.0
133.01759	1.9
133.03468	15.5
134.99651	6.3
136.06187	1.5
137.02974	1.4
140.03392	1.8
141.03961	1.1
143.00212	1.6
143.01877	2.9
145.01752	1.5
145.03600	5.4
145.04962	2.6
146.99684	4.6
147.05009	4.1
149.01221	6.9
149.02948	1.3
151.04535	5.3
155.01964	6.1
156.04988	1.1
157.03470	4.2
158.99712	2.7
159.03291	1.2
159.03673	1.3
159.05043	8.7
161.01237	3.5
161.02910	6.1
163.02766	2.4
163.03984	1.4
165.00584	1.0
166.07329	1.0
169.03339	1.6
170.99712	1.7
171.05023	5.1
173.01277	3.0
173.02980	11.2
175.03012	1.6
175.04539	5.8
177.00714	5.8
177.04294	4.0
177.05972	4.0
178.04951	4.2
179.02052	1.6
183.05069	4.8
185.02980	2.8
185.06604	2.5
187.04495	4.2
189.00708	2.2
189.04326	1.7
189.06062	3.1
191.02298	2.8
191.03867	1.0
193.03810	1.5
195.05392	1.8
195.07158	3.4
197.01305	1.5
197.02902	5.9
197.06572	1.3
199.04565	2.6
201.04318	3.4
201.06114	4.6
203.02280	1.7
203.04010	3.1
203.07616	1.3
205.05687	1.3
211.04628	4.0
213.06152	1.7
219.01752	5.7
219.07167	18.1
221.03093	1.3
221.05080	13.7
225.06180	1.4
231.05017	2.0
231.07138	19.9
233.08705	4.2
237.02786	14.5
243.07135	1.3
245.05061	16.9
245.07707	1.2
245.08676	1.6
246.05286	1.3
247.06769	1.2
255.04500	1.2
255.07138	6.4
259.06635	2.5
261.08282	2.4
263.06226	1.5
273.08270	6.9
279.03867	1.2
281.05600	1.3
282.58752	1.1
289.07709	6.3
291.09158	3.0
305.10898	2.1
307.08731	3.0
321.10385	100.0
322.10513	3.8
323.10144	1.3
335.12195	2.2
337.08066	3.0
339.11597	11.8
355.09100	3.0
367.09634	0.9
378.12357	1.1
467.11859	1.8
495.11304	3.4
509.13309	1.1
527.15082	2.2
552.50085	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.5
55.12345	0.9
57.07073	54.8
66.81779	1.0
69.07069	7.1
71.08630	52.8
73.06554	3.8
82.57746	1.0
83.08608	2.8
85.10181	30.5
87.04457	4.2
89.06029	100.0
97.10165	2.3
97.87761	0.8
99.11732	6.6
107.07045	2.7
111.11703	2.2
113.13283	5.6
117.09127	3.8
125.13290	1.8
127.14832	3.3
128.45015	1.3
130.08636	2.9
133.08600	59.5
144.32254	0.9
151.09674	1.5
164.08539	1.1
177.11208	23.7
195.12285	1.6
221.13858	4.1
227.23642	1.6
229.66364	1.0
239.14882	4.2
271.26285	3.6
283.17474	3.2
315.28986	3.2
327.20151	15.5
364.28409	1.0
385.28494	1.1
509.40369	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	525.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.6
57.07077	37.4
59.05030	1.0
69.07059	2.6
69.35393	6.2
69.35806	3.2
71.08632	28.4
73.06557	6.1
83.08617	2.0
85.10184	22.9
87.04471	4.2
89.06032	100.0
95.08610	1.4
97.10150	2.4
98.95796	0.9
99.11742	3.4
107.07083	4.8
111.63648	1.1
114.64718	1.0
117.09141	3.7
130.08656	3.3
131.07018	1.6
133.08606	40.8
155.17937	2.1
177.11240	9.9
199.20515	1.7
243.23331	1.3
297.54715	1.0
301.15747	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	1.4
69.03409	1.5
69.07059	2.7
71.58530	1.4
71.58897	1.4
87.04469	1.6
94.06567	5.4
95.04955	1.7
104.07121	3.1
110.52521	1.2
112.07575	1.1
120.04495	1.8
121.06464	4.3
122.06053	7.6
138.05487	1.9
138.09090	1.7
140.07072	11.1
144.04404	1.5
146.05988	3.5
153.01848	1.5
162.53636	1.1
172.03909	3.6
174.05515	2.4
182.18483	1.1
190.04994	2.8
194.08376	1.2
199.12245	1.3
201.09122	2.5
204.06537	5.5
206.08086	3.3
209.10892	1.5
212.09425	2.1
216.10161	1.4
223.12279	2.9
224.09332	1.6
225.10258	10.7
234.09178	1.5
234.11415	1.6
235.08679	4.3
236.09352	6.2
237.10268	20.5
239.11815	3.1
249.10300	3.4
250.10959	2.6
251.11812	20.3
252.08899	3.3
252.12488	1.9
253.09697	7.0
254.10294	1.3
255.11206	5.1
261.12415	2.4
264.08920	2.0
265.09680	22.5
266.10516	5.4
267.08719	1.8
267.11295	13.0
278.06467	1.8
279.11218	21.4
279.13882	1.7
280.12045	2.6
281.09274	1.1
283.10681	3.6
284.11584	1.7
285.12369	4.2
287.10260	2.0
293.09235	18.3
294.09869	4.3
295.10797	17.2
297.12299	5.4
298.13287	1.5
307.10736	4.9
309.12320	4.7
311.10257	2.1
312.11090	3.6
313.11826	19.8
317.10284	1.4
325.11807	27.9
326.12466	1.8
331.13031	3.0
335.10361	12.1
337.11652	1.8
345.14453	3.1
353.11319	100.0
354.11746	5.1
355.12842	2.3
371.12323	2.7
379.17017	1.7
385.14020	10.9
452.17908	1.2
466.19669	2.4
476.18295	1.8
494.19235	36.6
495.19458	1.7
526.21649	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58707	9.9
55.05497	23.8
57.07072	13.4
67.05496	32.6
69.03423	28.0
69.07050	36.1
70.13762	50.7
79.05482	23.6
81.03419	22.0
81.07061	100.0
83.08630	13.7
84.08115	13.1
85.02887	21.4
91.05463	23.0
93.07025	22.5
94.00117	12.0
95.04926	15.0
95.08632	57.8
105.07012	25.6
107.04978	13.7
107.08594	28.5
109.02828	11.6
109.10157	48.7
111.08020	10.7
119.08527	20.9
120.08087	14.2
121.10096	19.4
123.04382	22.3
123.08061	13.0
123.11729	41.2
131.45210	11.7
133.47119	11.7
137.05980	21.3
137.13258	24.0
139.03870	20.0
147.11696	15.9
149.05983	12.2
167.07048	46.7
179.03378	22.5
187.86882	13.9
189.33923	12.4
205.19568	20.1
223.20573	12.0
243.06581	13.3
243.75290	13.0
280.14487	13.2
291.26727	19.6
299.09140	20.0
299.12524	12.1
317.13748	24.3
345.13452	14.6
525.21936	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	525.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	21.3
56.96600	11.4
57.03430	10.5
57.07073	14.8
58.41252	9.5
65.29340	9.4
67.05502	40.5
69.03427	13.8
69.07061	38.9
71.58759	13.9
73.02926	11.1
79.05488	20.0
81.03416	14.0
81.07053	100.0
83.04958	14.8
83.08628	21.2
85.02897	22.5
85.06555	21.6
91.05490	20.0
91.17470	9.0
93.07047	40.9
95.04984	13.4
95.08601	68.4
97.06550	12.4
105.07027	27.6
107.08588	27.2
109.06400	10.9
109.10151	64.6
117.07021	13.4
119.08564	12.3
121.10158	38.8
123.11734	44.0
125.07188	8.6
128.97960	9.1
131.08557	17.5
133.10114	13.5
135.11682	32.1
136.56891	8.7
137.05984	18.7
139.03909	17.4
145.10158	15.8
147.04367	9.5
147.11685	10.9
149.13248	37.8
153.01852	25.4
161.06078	10.6
161.13295	14.3
163.03850	12.2
167.07106	22.8
179.03456	15.4
191.07108	12.4
207.02930	24.7
210.14941	12.1
217.19508	11.4
233.04436	9.8
235.20505	18.0
291.27124	18.4
299.09543	9.1
309.27933	13.8
313.07117	25.0
315.04892	24.5
317.14133	12.4
327.12100	13.6
327.28931	9.8
336.55463	10.8
345.13303	19.8
354.36523	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07095	26.8
66.24935	20.9
67.05502	31.3
67.14906	19.1
68.54808	18.8
69.03430	32.1
69.07069	76.9
69.92493	21.1
71.12793	41.0
71.13130	44.5
73.46857	22.3
76.48289	19.7
81.07053	100.0
83.08612	35.8
85.02892	53.8
91.05476	39.1
93.07029	44.0
95.08599	85.6
107.08578	34.8
109.06507	24.0
109.10105	55.3
113.85110	23.4
120.94743	24.7
121.10164	23.8
123.11716	38.4
125.09610	25.9
127.03933	24.3
135.11699	24.9
146.06038	26.1
147.11729	32.4
149.13281	42.1
150.06902	20.7
153.01759	21.5
159.11685	24.9
167.07100	47.2
239.11629	35.2
278.86172	25.7
291.26794	36.4
299.08984	32.5
309.84839	26.5
341.14987	28.2
385.16357	21.7
454.48688	22.8
482.22943	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	525.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.6
55.01859	4.0
55.05508	19.6
57.03436	5.2
57.07069	1.7
65.03938	1.6
67.05502	32.7
69.07072	14.4
71.04978	2.9
76.14536	1.0
79.05488	23.7
81.03410	2.1
81.07052	28.4
83.04971	3.7
83.08624	10.6
85.06526	3.2
91.05485	23.0
93.07046	16.8
95.04973	3.9
95.08601	19.8
97.06519	4.1
97.10159	5.6
98.21524	2.6
105.07024	20.8
107.04942	2.0
107.08582	11.5
109.06523	2.0
109.10154	10.1
111.08065	2.7
114.32323	1.2
115.05445	2.9
117.07022	12.8
119.08581	13.8
121.10145	5.7
123.11760	2.1
125.09651	2.1
128.06241	6.4
129.07011	18.1
131.08565	19.1
133.10139	8.8
135.11684	3.1
139.11189	1.4
141.06996	10.8
142.07762	4.8
143.08574	22.7
145.10120	15.5
147.11661	4.9
153.07002	4.6
153.98106	1.3
154.07803	3.6
155.08557	25.7
156.09392	2.8
157.10120	23.7
159.08148	1.6
159.11639	7.6
165.07051	3.0
166.07735	2.9
167.08543	10.6
168.09341	5.6
169.10124	28.2
170.10823	1.8
171.08110	1.4
171.11687	18.6
173.11955	1.3
173.13290	5.0
178.95570	1.3
179.08549	5.3
180.09373	3.6
181.10107	19.5
182.10861	3.2
183.11684	23.8
183.13240	2.1
185.13206	12.8
187.14787	1.3
193.10085	7.1
195.11713	17.6
197.13231	17.0
199.14873	5.2
201.12880	1.4
205.10155	2.0
206.10895	1.7
207.11638	6.8
209.13277	14.3
211.14857	6.8
213.16437	1.7
217.10071	1.4
219.11757	3.5
221.13190	8.6
223.14810	9.1
225.16379	4.4
227.14322	1.7
233.13268	2.9
235.14832	3.5
237.16385	3.8
247.14653	2.5
249.16382	2.7
251.18019	2.4
255.17479	1.3
261.16330	1.8
263.17999	3.0
275.17905	2.4
277.19522	2.0
293.19189	2.3
295.17139	2.3
295.20456	2.6
297.22061	3.0
299.20148	1.8
307.20718	2.4
309.22144	3.4
313.21606	2.1
319.20474	1.3
321.22192	4.2
323.23901	2.8
325.21591	2.0
327.23151	1.9
333.22058	2.1
335.23700	4.1
339.23267	3.1
347.23935	2.1
351.23123	2.9
353.24667	2.9
373.25482	1.2
377.24597	1.3
405.31802	2.8
415.29926	12.5
423.32590	2.9
433.31055	36.3
434.31610	1.6
451.32104	18.8
469.33011	4.8
471.32571	3.4
489.33557	4.7
507.34869	16.4
525.35742	100.0
526.35748	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	525.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94862	1.3
56.49453	1.2
62.67417	1.2
68.99799	1.2
69.03436	3.5
70.17811	4.9
70.18222	2.7
74.90171	1.1
79.01858	3.8
81.03426	5.9
81.07074	1.9
85.02948	1.9
85.06522	2.2
88.38187	1.1
95.50113	1.3
97.02893	7.9
99.04512	1.2
107.01336	2.2
109.02894	6.2
109.06506	2.9
123.04436	3.5
123.08063	3.3
123.11691	1.4
125.02358	3.8
127.03922	7.0
129.02283	1.1
130.52226	1.2
143.03435	4.5
145.04916	1.8
151.03928	1.3
151.07591	1.4
153.01831	100.0
153.02800	4.4
165.09096	8.3
171.02907	11.2
193.08612	14.9
211.09657	29.7
211.11522	2.3
235.09622	2.8
297.06091	9.8
301.10803	1.5
315.07309	2.6
429.55115	1.5
525.30438	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11876	2.2
52.17192	2.4
53.03939	3.7
55.01870	3.8
57.75322	2.5
67.05495	3.3
71.58976	4.5
73.47182	2.3
79.05496	11.4
81.03377	2.4
81.07089	2.9
85.38087	2.5
91.05483	4.9
93.07029	2.9
95.04990	7.0
103.05476	5.6
103.73781	2.4
105.07057	2.9
107.04957	82.3
114.58566	2.8
121.06468	4.1
123.04429	7.9
125.05981	6.9
130.37930	2.5
131.04927	19.9
131.08545	3.7
132.05745	3.9
133.06528	3.5
137.02350	12.4
137.05972	100.0
147.04375	3.0
151.03909	3.8
152.91615	2.5
153.01974	2.4
157.06529	4.7
161.05943	2.9
185.06042	8.8
195.08017	3.1
197.06020	9.4
213.05476	29.4
221.06042	4.5
225.05492	16.7
225.09277	2.3
239.07062	7.2
241.04962	49.4
253.04955	6.1
255.06580	3.8
255.09998	3.9
256.10849	2.8
267.06433	5.2
269.04474	53.1
271.06049	4.2
277.04904	6.0
279.06949	2.4
295.06000	61.4
307.06058	16.4
389.10190	51.2
401.10129	11.2
419.11279	27.6
525.15375	23.4
525.29602	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	525.1544
Annotation	Pityriarubin B
Peak:m/z	Relative Intensity
52.87542	0.4
53.03913	0.7
63.36519	0.5
68.99773	1.0
71.28493	1.0
73.98638	0.5
79.05464	1.2
86.09692	0.8
89.03786	0.4
91.05463	1.4
95.04952	1.3
103.05446	1.9
105.07008	1.3
106.33759	0.5
107.04951	12.3
119.04935	0.7
121.06460	1.4
123.04394	1.2
125.06010	0.7
127.64116	0.4
131.04926	14.7
132.05710	0.9
133.06494	0.8
135.04419	2.2
137.02339	5.3
137.05972	7.8
145.06462	0.7
147.04393	0.8
149.05939	1.2
155.03380	2.0
157.06502	0.7
161.02299	2.8
161.05991	4.6
167.08592	0.6
177.06931	0.5
181.06493	0.6
181.15579	0.4
184.07280	1.2
187.03912	3.1
194.07228	0.8
195.08041	1.5
197.05943	1.4
207.84718	0.6
212.08308	0.7
213.05476	4.2
223.07610	1.6
224.08351	2.2
225.05450	0.6
226.06271	1.8
227.10619	1.0
239.07059	0.9
240.07835	1.8
241.04950	30.6
242.05707	6.5
243.06380	0.7
253.04826	0.9
255.06326	0.7
255.10098	1.5
269.04401	2.3
270.05212	9.0
270.07916	0.7
270.54459	0.5
271.06009	61.3
272.06320	1.6
281.04559	0.8
285.07693	1.0
359.08856	0.8
389.10251	5.6
401.10062	1.4
419.11084	4.3
525.15424	100.0
526.15729	3.4
538.21344	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35982	0.7
51.02377	1.1
53.03933	2.9
55.01863	1.3
56.33181	0.7
64.80909	0.8
64.81821	0.8
68.99789	0.9
70.25582	0.7
70.25915	3.1
77.03923	1.4
79.05489	8.1
81.03419	2.0
81.07049	0.9
89.67316	0.7
91.05478	2.5
93.07010	1.2
94.56275	0.7
95.04964	6.7
95.08601	0.8
103.05444	3.4
105.03374	2.4
105.04540	1.0
105.07014	2.0
107.04951	75.8
109.76749	0.7
115.05462	1.5
117.07027	0.9
119.04903	1.3
121.02829	1.5
121.06513	2.7
123.04413	4.2
125.05992	7.2
128.06140	0.8
129.07016	1.8
131.04930	16.4
132.05690	3.3
133.06477	1.6
134.03694	1.2
135.04422	3.4
135.05536	2.2
137.02351	14.1
137.05972	100.0
138.06282	0.8
140.89479	0.7
141.06987	2.9
147.04445	2.5
147.65582	0.7
149.02350	0.8
149.06024	1.6
150.06651	0.9
151.03897	3.3
151.07576	0.9
155.08516	0.8
157.06506	4.5
161.05997	4.7
162.06752	0.8
165.06999	2.4
167.08536	0.8
169.06488	1.9
171.04453	1.1
181.06519	2.0
183.08101	1.1
185.02328	0.9
185.05975	5.8
195.08092	1.7
197.05968	9.7
199.03946	1.4
199.07639	1.1
202.97516	0.8
211.07581	1.6
213.05449	29.5
213.08643	1.3
221.06026	2.4
223.07591	2.0
224.08232	1.5
225.05440	13.8
237.05513	1.8
238.06334	0.8
239.06955	7.4
239.10695	1.1
240.07761	1.3
241.04953	49.8
242.05339	0.9
249.05542	3.1
250.47177	0.8
251.07050	3.1
253.04939	8.7
255.06517	3.2
255.10123	3.8
256.10861	4.5
267.06613	2.9
269.04440	46.9
270.04953	1.6
271.06128	3.6
277.04904	6.8
279.06516	2.2
281.04443	0.9
285.07642	0.8
295.05997	53.5
307.06024	13.2
361.10727	0.9
389.10168	39.8
390.10410	1.3
401.10101	12.5
419.11197	25.2
419.16440	1.6
525.15326	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	525.1544
Annotation	Pityriarubin B
Peak:m/z	Relative Intensity
53.03940	2.1
54.62585	1.3
55.01873	1.5
66.69526	1.4
71.20139	2.7
71.20458	2.0
79.05493	4.4
81.03410	1.8
81.07068	1.7
91.05471	3.2
93.07018	1.5
95.04941	4.2
103.05445	1.6
107.04954	46.3
121.02850	1.2
123.04441	8.8
125.05972	2.4
129.06981	1.7
131.04921	5.4
137.02341	26.7
137.05969	33.9
147.04413	3.1
149.06036	1.7
153.05495	1.6
161.05966	4.9
163.46153	1.4
165.06999	2.8
173.05986	4.2
177.05664	1.8
179.03383	3.8
183.07973	1.4
193.17468	1.3
195.08069	1.5
211.07545	1.6
213.05457	7.9
221.05972	12.7
234.06990	1.3
235.07629	1.8
237.05508	1.8
239.07002	8.9
241.04834	6.3
241.08546	1.9
249.05498	16.0
251.07033	5.5
253.08626	2.0
255.06505	2.6
263.07047	1.9
265.05151	1.5
267.06549	5.9
269.04507	6.4
269.08014	4.5
270.08514	1.6
271.06009	2.5
277.04977	9.8
281.08069	3.7
283.05923	5.5
295.06006	47.2
297.07541	5.2
369.07614	1.5
371.09070	1.4
373.10599	4.0
389.10193	10.4
401.09961	5.1
401.14627	6.7
405.13416	11.7
419.11249	100.0
420.11752	2.9
431.11221	7.5
457.20511	1.6
525.15222	10.4
525.29749	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1387
Annotation	Mayoside B
Peak:m/z	Relative Intensity
52.58497	1.5
57.34092	1.5
65.27946	1.5
67.05492	2.3
69.03452	1.3
69.93477	9.0
76.03635	1.4
79.05492	3.7
81.07070	2.5
83.52773	1.5
91.05463	3.4
93.07048	3.2
95.04955	1.9
95.25575	1.6
98.21436	3.1
103.05474	2.3
105.07040	2.7
107.04945	4.6
107.08620	3.2
109.10138	2.4
119.08517	2.5
121.10184	2.4
123.04411	3.6
131.04933	2.8
132.05756	2.2
133.02841	1.5
133.10150	7.0
137.05969	2.4
137.09654	2.2
140.04694	1.8
145.10207	1.6
146.03632	3.1
149.05978	2.3
151.03943	2.3
153.01837	7.4
161.05969	2.0
161.09650	1.6
163.03918	3.3
167.07065	2.3
175.14825	1.7
177.05489	3.1
178.06245	5.2
180.89035	1.5
191.07051	2.5
192.07880	2.3
213.05450	2.2
216.04184	27.1
242.05766	2.7
244.03638	3.3
253.04955	2.0
258.05276	2.9
259.06036	4.9
259.20639	3.2
270.05164	5.4
271.05856	1.9
272.03183	2.3
277.21680	7.3
283.06064	1.6
285.03909	1.8
287.05481	52.5
295.05856	1.9
299.05347	9.3
302.04276	5.7
313.03482	2.0
313.07104	1.6
315.05017	25.8
316.05807	2.6
317.06555	5.2
327.05020	4.2
357.05798	2.5
371.07764	2.8
389.10181	2.4
419.11356	4.4
495.12772	1.8
507.12613	10.1
525.13934	100.0
526.14453	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	2.1
57.03416	1.3
58.99868	1.1
66.59571	1.2
69.03426	6.4
70.23890	2.5
70.24287	2.6
73.02909	1.7
77.00903	1.6
81.03402	4.4
81.89365	1.1
83.91624	1.1
85.02905	11.3
87.04435	1.1
95.01309	1.4
97.02893	13.3
97.64748	1.1
98.97557	2.3
99.04449	1.6
101.00874	3.1
105.00385	1.4
109.01585	1.5
109.02911	3.3
113.00822	1.8
115.02389	2.0
116.98608	2.7
119.01923	13.7
121.06496	3.8
127.03925	3.2
131.01892	8.5
133.03497	1.8
134.99692	1.1
136.06236	1.4
137.02972	3.1
137.05998	1.3
138.09140	1.5
139.02419	1.7
143.01898	2.9
143.03308	1.2
145.03447	12.5
145.04770	2.0
149.02946	2.4
153.01819	22.6
153.03003	2.0
155.01881	6.9
157.03467	7.1
161.02951	3.4
163.04506	4.1
167.01901	2.7
168.02715	1.5
169.03526	1.7
173.02962	12.8
175.04459	1.3
177.00667	1.2
181.03439	2.0
185.02974	17.8
192.99808	2.6
193.01552	1.3
193.03427	2.1
197.03036	1.5
199.04489	2.1
201.02431	1.2
203.04001	10.2
207.05034	1.7
208.04546	1.8
209.02916	5.0
211.00883	36.3
211.04411	2.1
214.03151	1.3
219.01826	1.4
221.03032	2.1
221.05072	5.2
223.04509	3.0
225.02403	1.9
227.03995	5.6
229.01930	22.8
234.02405	2.2
235.00883	5.4
235.04630	2.1
237.02679	5.4
239.04134	2.3
245.04961	1.3
247.00812	1.7
247.03000	24.8
249.02417	2.0
251.03922	2.7
253.01913	10.5
255.03568	2.0
261.02365	2.7
263.04065	4.4
265.01788	3.9
267.03427	2.2
271.03058	13.8
273.04532	1.8
277.01965	1.9
279.03561	4.5
283.03314	1.4
283.06488	2.6
285.04520	3.9
289.01630	2.3
289.04337	2.4
294.04456	1.5
295.02954	9.7
297.04483	6.4
301.04370	1.2
307.02924	18.6
309.04535	1.9
311.06082	10.9
313.04086	6.2
315.05548	3.3
325.04178	7.1
325.07520	1.6
337.04025	10.4
343.05081	2.1
355.05093	100.0
356.05450	5.1
373.06168	68.4
374.06360	3.1
396.07706	11.8
423.04285	1.3
457.99832	1.1
471.88889	1.2
502.61179	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.371
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
51.87524	0.5
56.05024	1.6
56.27660	0.5
57.03432	0.6
57.07061	3.4
58.06606	1.7
60.08162	17.1
60.21569	0.5
67.05478	0.7
69.31650	2.2
69.32081	3.4
71.07372	6.7
71.08621	1.2
81.07055	1.0
83.08603	0.6
85.10165	0.8
86.09702	46.4
98.21444	0.9
98.98470	3.8
104.10741	99.8
105.11095	0.6
125.00002	28.0
143.01031	1.0
184.07336	100.0
258.10992	1.3
336.34894	0.6
341.30576	1.6
392.20621	0.6
506.29227	0.4
506.36011	9.4
524.37097	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	524.371
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15875	0.2
55.05516	0.5
56.05032	1.4
57.03421	0.5
57.07070	2.6
58.06602	1.2
58.11670	0.2
59.07399	0.4
60.08162	17.0
67.05516	0.4
69.07025	0.3
69.75474	1.4
71.07375	8.1
71.08625	1.4
81.07046	0.9
82.91765	0.3
83.08613	0.6
85.10179	1.0
86.09702	51.4
87.09964	0.3
94.55347	0.3
95.08595	0.6
98.98458	4.9
104.10740	100.0
105.11060	0.5
109.10133	0.5
115.75078	0.2
124.99999	28.1
143.01035	0.6
143.78140	0.3
162.93094	0.3
163.01611	0.7
184.07333	93.5
185.07693	0.6
240.09955	0.3
258.11133	1.0
331.30634	0.3
341.30328	1.6
420.04843	0.3
447.28336	0.4
506.36023	7.7
524.37085	22.0
525.37598	0.6
540.91858	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40948	13.9
55.05500	14.4
57.03434	17.1
57.07057	65.0
67.05493	53.7
69.07056	32.7
71.08630	51.2
79.05484	26.6
81.03415	100.0
81.07043	65.4
83.08608	60.1
85.02896	18.6
85.10201	19.9
91.05487	35.4
95.04974	37.1
95.08603	47.7
101.36804	15.7
105.07039	32.9
119.08493	16.5
121.10157	17.2
133.10117	20.5
136.58440	15.9
175.11494	15.4
193.12234	74.1
199.74268	14.8
211.13347	23.8
226.09207	15.4
267.15884	48.0
282.99182	16.6
312.48389	16.3
313.27258	45.9
505.38882	40.8
523.39905	78.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	38.2
57.07072	61.3
67.05497	62.8
71.08643	42.0
79.05515	26.2
81.03428	94.7
81.07051	75.2
83.08613	44.3
91.05473	41.2
95.08600	44.3
105.06978	25.4
107.08602	31.4
109.10162	32.0
125.46368	21.1
134.99646	21.8
175.11057	29.4
193.12306	69.5
251.31923	21.8
260.70639	24.8
267.15970	95.7
298.91043	22.1
313.27438	100.0
328.09573	20.8
435.73059	20.9
480.60025	22.4
505.38785	53.6
523.40173	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	524.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01872	1.5
57.03429	2.2
65.03925	1.3
69.32163	2.3
69.32569	10.2
75.04467	2.3
78.04723	1.2
79.05492	5.2
84.60574	1.0
91.05480	7.6
93.03407	5.8
93.07026	3.1
95.04949	3.0
103.05476	11.5
105.07023	18.0
106.04182	10.3
107.04936	5.2
109.02874	1.4
109.06538	1.7
115.05405	1.7
118.04166	17.0
119.04974	1.4
120.05705	2.7
121.06521	12.4
122.07340	2.8
123.04440	2.0
124.05214	8.6
125.05981	4.2
131.04953	3.9
132.05725	1.7
133.06493	28.0
134.03618	1.7
134.07266	3.0
135.04395	3.7
135.08031	4.5
137.05968	5.1
148.05205	1.4
149.05980	19.2
150.06772	10.9
151.07535	3.8
153.05431	1.3
153.09119	5.2
160.05074	1.1
161.05991	4.1
163.03957	1.5
163.07567	1.9
165.09113	16.7
166.06236	1.5
167.07050	5.4
175.07501	1.3
177.05473	15.1
180.36099	1.1
181.08554	10.4
185.20593	1.1
191.07079	4.0
192.07738	1.5
193.08603	100.0
209.08084	63.2
223.04303	8.3
259.86551	1.1
278.05069	1.1
342.75275	1.1
385.16690	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	4.1
56.73574	2.9
56.97318	3.0
57.03426	3.6
57.07077	34.1
66.56088	2.9
67.05504	13.8
69.07059	12.5
70.84192	9.4
71.08627	32.4
79.36256	2.8
81.07061	17.6
81.46452	2.8
82.07372	2.7
83.08616	14.8
85.02913	5.1
85.09760	2.9
85.10182	16.2
86.09708	5.7
95.01353	5.9
95.08601	30.9
95.80280	3.0
97.10174	4.7
104.75491	2.7
109.10155	15.0
111.11815	3.0
123.11729	5.1
125.00028	6.4
131.40344	2.7
141.01825	5.7
184.07355	29.6
203.70702	2.8
239.23654	29.4
257.24780	4.7
283.84753	3.3
313.27365	100.0
314.27686	6.3
331.28537	9.0
338.61191	3.3
339.88116	3.7
342.74573	3.2
355.76187	3.0
548.23346	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	523.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80473	4.4
53.03914	4.9
55.05501	13.3
57.03427	10.4
57.07077	53.1
67.05504	43.7
69.07069	15.8
69.40777	41.8
71.04986	5.2
71.08644	30.9
79.05498	19.4
81.03409	50.9
81.07056	51.1
83.04994	9.8
83.08615	39.3
85.02913	27.2
85.06527	5.1
85.10194	23.4
91.04932	4.6
91.05473	27.5
91.05968	4.7
93.07030	19.8
95.04980	20.2
95.08605	40.9
97.10164	11.9
98.20771	8.9
101.03792	5.3
105.07019	21.0
107.08586	6.9
109.10152	14.6
111.08068	11.7
119.08595	19.7
121.10114	8.7
123.11707	8.9
129.06999	14.0
131.08566	12.8
133.10124	14.0
147.11690	16.9
148.65965	4.4
157.10107	11.5
175.11201	14.5
193.12218	56.9
211.13271	60.9
239.23814	7.5
267.15973	15.6
313.27472	15.7
523.39917	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.6
53.79380	2.5
55.05514	17.5
57.03430	6.8
57.06827	2.8
57.07080	45.0
67.05507	32.9
69.07076	13.2
69.82668	12.6
71.04988	2.7
71.08636	30.9
79.05493	16.5
81.03419	44.8
81.07059	37.1
83.04987	7.6
83.08620	29.2
85.02908	24.1
85.10183	17.0
91.05482	22.2
92.98722	1.9
93.07046	10.4
95.04979	16.8
95.08607	33.4
97.06522	2.6
97.10156	10.5
105.07050	13.7
107.04958	2.8
107.08596	5.7
109.06543	3.1
109.10165	16.4
111.04512	3.1
111.08102	9.9
113.06030	2.5
119.08597	15.2
121.10143	9.0
123.11708	7.8
129.06984	9.9
131.08578	8.9
133.10144	7.2
137.09648	3.0
142.07764	3.2
147.07974	2.2
147.11693	11.5
149.09660	2.7
151.11234	2.5
157.10085	9.5
165.12708	3.6
175.11250	14.2
193.12244	51.9
211.13310	53.3
239.23784	8.3
267.15967	7.0
313.27536	10.6
505.38910	2.8
523.39954	100.0
524.40302	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50499	2.0
53.03955	3.8
54.38954	2.0
55.05513	20.5
57.03428	7.2
57.07077	49.7
61.37541	2.1
67.05500	32.6
69.03425	2.8
69.07069	16.1
70.01538	10.5
71.04993	4.0
71.08632	33.0
79.05493	17.2
81.02982	3.5
81.03422	46.8
81.07060	39.0
83.04972	8.5
83.08149	2.3
83.08623	33.6
85.02908	27.9
85.06531	1.9
85.10178	21.7
86.09685	2.5
91.05483	23.0
93.07045	12.0
95.04968	20.0
95.08607	35.7
97.02894	3.0
97.10149	11.3
98.20757	4.0
99.11731	2.2
105.07040	15.0
107.04949	3.8
107.08550	4.1
109.06561	2.9
109.10149	16.5
111.04487	2.7
111.08081	7.7
111.11725	2.4
113.05982	2.6
119.08579	14.4
121.10131	7.7
123.11697	8.3
125.13322	3.0
126.67427	1.8
129.07010	7.5
131.08551	8.9
133.10152	4.8
137.09656	2.1
137.13254	2.6
140.31836	1.9
147.08078	2.3
147.11719	11.2
149.09618	4.6
153.01784	1.7
157.10139	7.8
175.11215	13.3
178.07692	1.9
178.09282	2.3
193.12242	55.7
211.13290	59.6
239.23735	7.9
267.15927	4.4
303.35358	2.2
313.27347	4.2
523.39960	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15067	5.0
55.05500	22.0
55.54819	6.1
57.03438	8.8
57.07072	55.0
64.53652	5.4
66.34944	6.4
67.05502	57.9
69.07057	23.4
69.81914	37.9
71.08627	35.1
75.62946	5.3
79.05492	26.4
81.03412	46.8
81.07052	60.5
83.03778	6.5
83.04963	11.1
83.08621	37.8
85.02894	17.8
85.10180	20.6
91.05475	24.8
93.07026	22.0
95.04973	25.6
95.08604	55.1
97.10177	9.0
98.20815	11.6
105.07019	16.6
107.08630	8.8
109.10131	20.4
111.08057	19.3
119.08576	18.6
121.10153	9.3
123.11674	8.5
128.83264	5.7
129.07018	9.8
131.08556	5.7
133.10135	13.0
147.11658	14.4
157.10133	13.1
175.11169	16.9
190.96126	5.4
193.12228	55.7
211.13271	57.3
313.27319	11.0
372.75626	5.9
443.30624	5.8
523.32635	8.4
523.39929	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.05510	18.3
57.03436	8.6
57.07075	44.0
61.93958	1.3
63.25512	1.3
65.03953	1.7
67.05505	28.0
69.03428	2.5
69.07065	13.3
69.89784	2.5
69.90184	4.7
71.04985	3.7
71.08632	26.2
74.91595	1.2
79.05487	15.0
80.37043	1.2
81.03413	44.6
81.07057	37.1
83.04982	8.9
83.08621	32.3
85.02907	24.6
85.06530	2.7
85.10181	14.9
91.05477	19.3
93.07048	9.6
95.04967	18.5
95.08605	34.3
97.06517	2.2
97.10168	8.1
105.07034	14.4
107.04957	3.7
107.08607	6.0
109.06515	1.6
109.10146	13.3
111.08082	6.9
111.11742	1.6
113.06015	2.9
119.08569	12.1
121.10126	6.6
123.08084	2.1
123.11710	6.8
129.06985	8.7
131.08600	4.6
133.06487	2.1
133.10132	5.4
137.13281	2.2
142.07823	1.4
145.10202	1.5
147.11700	8.2
149.09619	4.3
151.14828	1.3
157.10139	6.6
165.12715	2.3
170.41402	1.3
175.11171	13.7
193.12241	55.2
211.13272	49.5
239.23688	6.8
267.15952	4.3
313.27301	6.4
443.33389	1.5
523.39948	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	25.6
57.03428	25.6
57.07072	80.6
67.05502	77.5
69.03407	12.4
69.07059	30.6
71.08633	50.8
79.05489	32.6
81.03411	99.3
81.07050	51.6
83.04982	16.8
83.08603	33.8
85.02904	28.8
85.10176	21.7
91.05472	31.6
93.07027	29.4
95.04958	31.2
95.08584	45.0
97.10176	16.2
105.07029	33.2
107.08567	13.7
109.10141	31.5
111.00581	8.3
111.08065	13.5
115.41014	8.9
119.08568	18.6
121.10142	12.4
129.06978	19.3
131.08527	16.0
142.20457	9.6
147.11687	17.6
148.68253	8.4
157.10080	17.6
193.12230	100.0
211.13263	59.3
267.15897	78.2
308.39731	8.8
313.27478	77.6
374.40192	10.9
505.38611	31.9
523.33569	8.9
523.39905	87.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.0483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76334	7.6
57.94484	9.0
69.03422	10.3
69.26849	100.0
70.76669	8.3
79.01272	8.3
85.02874	10.4
94.93003	22.1
119.01898	14.9
143.01857	16.3
153.01718	11.3
161.02861	14.5
161.04070	27.9
173.02969	16.0
173.08244	9.7
185.02910	21.5
203.03972	11.0
209.70097	8.8
241.03999	8.6
245.05075	43.8
258.08334	11.7
259.05350	13.7
259.08386	21.5
263.00864	8.8
345.36606	9.9
523.04913	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36470	9.2
53.03933	11.1
67.05495	25.6
69.03410	24.1
69.07073	24.7
69.44496	36.8
69.44906	35.9
79.05474	14.5
81.03430	13.1
81.07036	64.6
85.02895	16.9
91.05494	28.1
93.07040	39.8
95.04982	22.5
95.08614	57.7
97.02920	17.3
98.20735	13.5
99.53048	10.3
105.07030	32.6
106.78984	9.9
107.04964	18.7
107.08588	20.4
109.02876	16.9
109.10137	17.7
119.04942	11.4
119.08565	19.4
121.06551	12.8
121.10168	23.8
123.04404	22.2
123.11663	11.2
124.07578	17.5
125.05994	10.7
127.03883	19.4
131.04990	10.9
133.06491	8.2
133.10133	24.7
135.11667	15.6
137.05988	69.0
139.03902	23.5
147.04410	17.2
147.11800	10.4
150.05373	9.5
151.03915	8.6
151.07501	9.5
153.01817	100.0
153.05493	10.9
167.07025	28.9
171.02864	15.1
171.16989	9.5
209.08168	27.9
227.03381	10.4
239.06952	9.7
251.20146	10.3
271.24088	9.2
281.15131	9.8
336.74265	9.6
467.63138	9.3
503.69052	10.2
523.21326	9.3
524.20044	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	522.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.3
55.01864	5.6
55.05497	17.4
57.07069	7.0
64.27780	3.7
67.05512	23.7
68.98956	4.5
69.03391	5.6
69.07069	36.7
70.13197	9.0
70.13605	16.9
70.15704	4.3
70.32963	4.2
79.05468	13.4
81.07047	37.6
83.08607	17.2
85.02893	6.3
85.06510	4.7
91.05473	13.8
93.07045	100.0
95.04963	19.0
95.08601	40.5
97.06519	8.9
97.10134	4.8
98.20851	5.5
100.11203	9.7
103.28211	4.2
105.07027	11.9
107.08570	18.6
109.06499	4.9
109.10185	26.2
111.08084	10.6
119.08579	9.6
121.06544	7.6
121.10154	24.9
123.08104	6.1
123.11694	17.1
125.09657	6.9
133.10112	6.8
135.11641	9.2
137.05984	5.4
139.03900	8.5
147.11627	5.1
149.13246	16.2
151.11244	6.2
153.41315	4.2
156.29301	4.7
159.11696	8.1
161.13168	6.5
185.15430	5.4
209.18921	5.7
251.62436	4.9
271.24341	9.3
273.03931	7.5
277.03488	10.4
289.25284	17.7
295.26230	9.2
307.26379	50.3
325.27316	36.5
361.09146	23.0
455.16989	5.1
506.60834	5.3
522.40936	13.8
523.16278	7.7
523.28674	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	522.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13645	0.3
55.05508	0.5
56.05030	0.4
57.07068	0.3
58.06607	0.8
60.08162	6.4
67.05496	0.9
69.07056	0.6
69.33941	3.3
70.70012	0.3
71.07372	3.5
81.07042	0.8
83.08603	0.4
86.09704	31.9
87.06895	0.3
95.08583	0.6
98.21559	0.7
98.98454	2.8
101.94672	0.3
104.10734	3.0
125.00005	20.9
125.84282	0.3
135.11710	0.3
143.01028	0.6
149.02281	0.3
184.07336	100.0
185.07677	0.9
193.04958	0.4
205.68959	0.3
230.65767	0.3
237.07486	0.5
466.19568	0.3
504.34256	0.9
522.35846	2.1
534.72144	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08994	0.8
50.83336	0.8
51.45714	0.7
55.05534	1.1
57.07054	1.3
60.08166	7.7
67.05497	1.8
70.03115	0.7
70.41959	1.7
70.42365	1.8
71.07364	3.0
71.08620	0.8
81.07064	1.9
86.09707	35.4
87.73384	0.7
93.07030	1.3
95.08588	0.8
98.98475	3.5
104.10754	10.0
109.10181	1.8
125.00008	23.8
125.00895	1.6
135.41272	0.9
184.07346	100.0
190.96274	0.8
246.98964	0.9
279.13339	0.8
424.27231	0.9
504.34656	0.9
522.35236	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	522.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.6
56.05029	1.1
57.07067	0.6
58.06595	1.5
59.33631	0.4
60.08163	15.4
67.05490	1.1
69.07068	2.2
70.84451	0.8
70.84781	0.6
71.07371	5.5
79.05487	1.1
81.07044	1.5
83.08620	1.2
86.09706	45.9
88.44359	0.5
93.07043	0.7
95.08606	0.8
97.06528	0.5
97.10155	0.5
98.98478	2.9
104.10744	97.7
105.11088	0.6
109.10168	0.5
121.10141	0.7
122.36657	0.4
123.11683	0.5
125.00010	24.5
125.59566	0.5
133.48801	0.5
143.01004	0.8
163.01585	0.8
184.07341	100.0
254.81236	0.6
258.11072	1.0
286.09180	0.5
339.29095	1.3
497.83267	0.5
504.34473	8.6
522.35583	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	522.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	7.1
66.28159	4.6
67.05496	10.3
69.07048	8.3
71.58975	9.7
78.36912	4.6
79.05483	18.3
81.07056	10.8
83.04987	10.7
93.07034	7.9
95.04936	8.9
95.08627	7.3
97.06529	100.0
97.24352	5.5
105.07001	5.9
149.05928	6.9
151.61029	6.7
157.06537	6.2
173.06099	5.1
183.08005	8.0
197.09488	6.1
201.09096	26.6
209.09534	9.0
211.07527	7.3
211.11122	8.7
223.11119	12.2
225.09122	9.4
227.10670	13.7
237.12692	6.6
269.11713	9.2
279.13843	30.7
287.12836	10.8
297.14838	17.6
305.15433	18.8
321.14822	8.1
323.16232	16.7
332.35004	5.4
337.18210	6.3
347.16394	6.2
365.17505	37.7
383.18414	31.6
390.04413	7.2
467.71057	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.3
55.20556	0.3
56.05021	0.5
58.06598	0.5
59.67430	0.3
60.07883	0.4
60.08164	6.1
69.07066	0.5
70.72376	0.9
71.07366	3.5
72.17225	0.3
72.66934	0.3
86.09705	32.8
98.98461	3.4
104.10753	3.2
125.00005	21.6
125.00714	0.3
138.26303	0.3
178.57492	0.3
178.91580	0.3
184.07341	100.0
185.07710	1.0
347.76389	0.3
468.09918	0.3
504.34277	1.2
522.35718	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.5
54.17942	2.2
55.01871	8.1
55.05515	29.2
57.03427	4.8
57.07077	38.4
60.34414	2.0
65.03941	2.2
67.05508	37.5
69.03426	2.1
69.07072	27.2
69.36169	18.8
69.36578	3.1
71.05003	2.9
71.08638	26.0
79.05490	31.3
81.03415	15.0
81.07056	39.6
83.04983	5.1
83.08625	28.7
85.02916	4.1
85.06573	2.1
85.10197	12.4
91.05474	20.7
93.07044	44.7
95.04976	12.6
95.08611	54.0
97.02893	4.4
97.06535	5.7
97.10167	12.6
99.04488	4.6
100.76236	1.9
105.07025	15.3
107.04955	12.7
107.08602	27.5
109.06523	4.5
109.10159	10.9
111.04424	2.4
111.08076	4.1
117.07022	10.7
119.08600	12.0
121.06525	5.3
121.10154	13.2
123.11736	5.3
125.05995	2.1
129.07010	3.3
130.07784	2.5
131.08586	2.7
131.93111	1.9
133.10152	6.3
135.08099	3.1
135.11693	44.3
143.08630	1.9
145.10109	23.2
147.08009	2.3
147.11717	3.5
149.09636	2.8
153.12782	4.5
157.10214	2.1
163.11186	52.7
175.11298	2.2
181.12294	16.0
193.12268	10.1
209.11787	3.0
211.13379	8.5
227.12787	100.0
228.13390	1.8
239.23697	4.3
254.24855	2.3
265.14520	2.4
270.34634	1.9
279.64618	2.0
298.44870	2.7
313.27304	2.2
430.49301	2.3
521.38403	71.0
522.38361	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.3
55.05510	11.2
57.07083	26.2
63.20317	1.9
66.37206	1.9
67.05505	29.5
69.07050	9.3
71.04987	2.1
71.08624	20.1
71.58663	3.4
74.93856	2.1
79.05143	2.0
79.05503	26.0
81.03426	3.4
81.07065	34.4
83.04965	5.7
83.08611	15.1
85.06544	2.5
85.10194	11.1
91.05470	14.2
93.07055	29.6
95.04945	5.8
95.08610	42.4
95.09183	4.2
95.10020	2.0
97.02890	5.8
97.06513	2.8
97.10173	3.8
99.04459	5.0
105.07043	7.5
107.04931	11.7
107.08609	24.1
109.10155	17.4
114.66496	2.1
117.07016	8.7
119.08595	11.0
121.06474	6.2
121.10142	12.1
123.11670	3.6
131.08636	2.6
133.10098	3.5
135.08070	2.3
135.11710	35.7
140.90883	2.0
145.10100	25.5
147.93500	2.1
163.11192	54.6
173.09695	3.0
181.12291	13.0
209.11784	5.1
211.28682	2.2
227.12791	100.0
239.23734	3.8
275.20245	2.2
289.49625	2.6
293.21109	7.1
346.49554	2.1
457.69586	2.2
521.38452	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	521.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.8
54.22992	0.5
55.01857	1.3
55.05510	9.7
57.03431	3.3
57.07061	1.8
59.09521	0.4
63.02368	0.8
65.03956	0.5
65.15297	0.4
67.05500	12.6
69.07069	11.7
70.06574	0.5
71.04986	1.2
78.04727	0.8
79.05494	5.9
81.07055	14.4
83.04984	0.5
83.08617	7.8
85.06530	1.2
89.03914	8.6
91.05469	4.5
93.07043	5.9
95.04973	0.7
95.08604	13.7
97.06519	1.7
97.10162	6.6
98.20715	1.0
105.07045	3.5
106.04163	0.6
107.08586	3.4
109.10157	6.4
111.08054	1.1
111.11720	2.7
113.09633	0.6
117.03373	22.3
119.08587	2.8
121.10146	5.5
123.08051	0.7
123.11706	1.9
133.10135	2.5
134.03629	1.7
135.04384	1.6
135.11684	5.2
137.09557	0.7
137.13286	0.9
139.11163	0.9
145.02840	54.1
146.03152	0.7
147.11679	1.9
149.05972	8.4
149.13242	0.9
151.11174	1.1
153.05571	0.5
153.12715	1.7
161.13268	1.9
162.03040	0.6
163.03941	2.4
165.12750	1.0
174.30939	0.5
175.14938	0.8
177.05467	100.0
178.05818	1.8
179.14244	0.5
186.05461	1.5
193.15823	0.6
193.19543	0.6
195.06531	9.4
215.07027	1.0
217.19565	4.2
226.91217	0.5
235.20558	4.4
251.09073	1.0
253.21812	1.2
309.24368	2.5
327.25269	17.5
328.25748	0.6
337.01395	0.5
344.28677	0.5
521.31317	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.5
55.01866	0.7
55.05262	0.5
55.05512	7.0
57.03441	2.6
57.07071	1.0
63.02400	0.3
65.03940	0.3
67.05506	8.7
69.07072	9.3
71.05002	0.5
77.04095	0.3
79.05489	3.4
81.07061	10.6
83.05011	0.5
83.08618	5.1
85.06533	0.4
89.03914	6.5
91.05471	2.3
93.07039	3.8
95.04948	0.4
95.08612	9.3
97.06536	1.3
97.10177	3.6
99.08092	0.6
103.05482	0.5
105.07053	1.7
106.28662	0.3
107.08602	2.2
109.06474	0.6
109.10159	4.1
111.11713	1.2
117.03383	16.1
119.08571	1.8
121.10139	3.2
123.11707	1.6
125.09638	0.6
127.07537	0.3
130.83775	0.3
133.10126	1.3
134.03603	1.5
135.04417	1.9
135.11717	2.8
137.09636	0.4
137.13202	0.7
139.11194	0.7
145.02849	42.6
147.04372	0.3
147.11671	1.5
149.05989	5.9
149.13248	0.8
151.11206	0.7
151.14822	0.5
153.05496	0.3
153.12701	0.6
161.13261	1.1
162.03137	0.4
163.03885	2.1
165.12778	0.7
171.11409	0.4
175.14847	0.6
177.05473	100.0
178.05817	0.9
186.05560	1.8
195.06541	15.5
217.19524	2.2
229.46172	0.3
235.20544	2.3
251.09157	0.7
253.21619	0.8
309.24280	2.3
327.25281	14.5
346.79245	0.4
503.29770	0.4
521.31396	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.8
55.01869	8.2
57.03440	16.1
58.78712	2.8
60.03316	2.9
61.02925	9.8
67.05494	6.4
69.03429	11.4
69.07050	3.3
71.01355	5.0
71.04988	8.5
73.02926	6.9
79.05488	4.0
81.03420	9.4
81.07065	8.8
83.04963	7.6
85.02905	48.1
91.05468	8.4
92.15775	3.0
93.07045	8.6
95.01328	4.5
95.04952	8.1
95.08597	4.5
97.02892	23.4
97.06556	4.1
99.04449	6.2
103.03944	7.0
105.07040	7.2
106.34382	3.5
107.04913	4.3
107.08616	4.5
109.02882	5.8
109.06496	6.9
111.08080	6.8
113.02367	6.6
113.06009	6.8
117.05493	24.9
119.08585	8.4
121.02882	6.5
121.06540	4.3
123.04459	6.3
127.03936	8.3
128.06204	4.2
129.07022	6.5
131.03413	6.2
133.06499	5.5
135.04449	3.3
135.08052	4.2
137.05991	13.7
141.01898	5.5
141.17574	3.1
145.04965	5.2
147.04399	15.6
147.08061	14.0
149.06032	8.7
151.03914	5.5
151.07538	5.4
153.01936	3.2
153.05475	4.0
157.06494	8.5
159.06549	11.5
161.06013	5.6
163.03886	5.2
163.07623	7.8
171.08046	3.8
173.54561	3.0
175.07559	66.3
177.05576	10.2
177.09166	3.6
179.07065	7.4
185.05994	10.6
187.07616	4.7
189.05460	4.3
189.09018	14.6
191.07040	28.2
192.04099	5.5
193.05011	5.1
193.08618	4.8
194.38951	3.2
197.08070	17.5
199.07486	10.8
201.05548	7.3
201.09146	4.4
203.07036	68.0
203.08780	6.4
203.77872	3.1
205.04958	3.7
209.08095	40.2
215.07082	10.8
217.05096	4.1
217.08582	21.3
221.08087	100.0
221.10133	6.1
227.07033	6.9
229.08681	7.2
233.08148	4.3
235.05971	4.3
235.09782	3.5
239.09145	70.3
241.08498	6.5
245.08069	26.0
249.07591	4.2
257.08240	16.3
259.09778	6.0
263.09158	84.5
269.08063	18.0
271.06116	4.2
275.09189	53.4
287.09149	28.6
293.08273	6.7
293.10239	6.8
293.10837	5.2
305.10266	33.8
323.11310	37.6
329.10040	4.0
341.12329	26.7
353.12579	3.6
359.13620	6.3
371.11279	3.7
444.96515	3.1
512.71716	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	521.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.8
55.01869	8.2
57.03440	16.1
58.78712	2.8
60.03316	2.9
61.02925	9.8
67.05494	6.4
69.03429	11.4
69.07050	3.3
71.01355	5.0
71.04988	8.5
73.02926	6.9
79.05488	4.0
81.03420	9.4
81.07065	8.8
83.04963	7.6
85.02905	48.1
91.05468	8.4
92.15775	3.0
93.07045	8.6
95.01328	4.5
95.04952	8.1
95.08597	4.5
97.02892	23.4
97.06556	4.1
99.04449	6.2
103.03944	7.0
105.07040	7.2
106.34382	3.5
107.04913	4.3
107.08616	4.5
109.02882	5.8
109.06496	6.9
111.08080	6.8
113.02367	6.6
113.06009	6.8
117.05493	24.9
119.08585	8.4
121.02882	6.5
121.06540	4.3
123.04459	6.3
127.03936	8.3
128.06204	4.2
129.07022	6.5
131.03413	6.2
133.06499	5.5
135.04449	3.3
135.08052	4.2
137.05991	13.7
141.01898	5.5
141.17574	3.1
145.04965	5.2
147.04399	15.6
147.08061	14.0
149.06032	8.7
151.03914	5.5
151.07538	5.4
153.01936	3.2
153.05475	4.0
157.06494	8.5
159.06549	11.5
161.06013	5.6
163.03886	5.2
163.07623	7.8
171.08046	3.8
173.54561	3.0
175.07559	66.3
177.05576	10.2
177.09166	3.6
179.07065	7.4
185.05994	10.6
187.07616	4.7
189.05460	4.3
189.09018	14.6
191.07040	28.2
192.04099	5.5
193.05011	5.1
193.08618	4.8
194.38951	3.2
197.08070	17.5
199.07486	10.8
201.05548	7.3
201.09146	4.4
203.07036	68.0
203.08780	6.4
203.77872	3.1
205.04958	3.7
209.08095	40.2
215.07082	10.8
217.05096	4.1
217.08582	21.3
221.08087	100.0
221.10133	6.1
227.07033	6.9
229.08681	7.2
233.08148	4.3
235.05971	4.3
235.09782	3.5
239.09145	70.3
241.08498	6.5
245.08069	26.0
249.07591	4.2
257.08240	16.3
259.09778	6.0
263.09158	84.5
269.08063	18.0
271.06116	4.2
275.09189	53.4
287.09149	28.6
293.08273	6.7
293.10239	6.8
293.10837	5.2
305.10266	33.8
323.11310	37.6
329.10040	4.0
341.12329	26.7
353.12579	3.6
359.13620	6.3
371.11279	3.7
444.96515	3.1
512.71716	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	520.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24458	0.3
56.05036	0.4
58.06605	0.6
60.07884	0.4
60.08167	6.9
67.05499	0.7
69.07055	0.4
70.04355	0.7
70.04742	0.8
71.07372	3.8
81.07024	0.5
86.09706	37.4
98.21479	0.4
98.98470	3.7
103.22960	0.3
104.10748	3.2
110.82992	0.3
125.00001	26.6
142.19373	0.4
143.01071	0.5
184.07338	100.0
184.44666	0.3
185.07692	1.0
196.49741	0.4
307.19522	0.3
502.32690	0.7
520.33795	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.01870	0.9
65.03931	0.7
67.05505	0.7
69.03417	1.5
69.67281	2.8
69.67689	1.2
71.04988	0.9
79.05482	1.5
81.03426	1.3
81.07054	1.5
85.02892	1.4
86.09715	0.6
87.00821	0.6
91.05441	1.6
93.07039	1.9
95.04976	1.7
103.05458	1.2
105.07008	0.8
107.04953	100.0
107.08623	0.8
108.05261	1.6
109.05392	0.6
115.05426	0.8
119.08552	0.9
121.06507	9.8
127.03917	1.3
131.04939	2.2
134.96971	0.5
137.02409	0.5
137.05994	4.4
147.04385	1.3
147.08043	0.9
149.05980	14.8
153.01848	1.6
161.06032	1.3
163.07568	0.7
167.07040	58.3
168.07381	1.0
171.02847	0.9
175.07512	0.6
179.07005	0.8
198.09151	0.8
213.11467	0.9
254.08548	0.6
255.10086	1.4
273.07999	2.4
273.11212	54.6
274.11682	1.3
278.17432	0.6
287.05368	0.7
378.70917	0.6
379.14853	0.6
460.76398	0.6
479.24738	1.4
521.21558	0.8
521.29352	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	520.269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.6
55.05510	3.1
56.05025	0.9
57.03436	2.7
59.60369	0.5
60.04506	0.5
60.08163	9.4
61.08486	1.5
65.03919	0.7
67.05177	0.7
67.05505	11.0
68.05827	0.5
69.07076	2.5
70.14912	2.6
70.37305	0.5
71.07377	4.4
71.36833	0.5
72.07690	1.0
76.89179	0.5
79.05486	4.5
81.07050	10.0
83.08626	1.3
86.09704	41.1
87.09462	1.2
87.10027	12.9
87.42996	0.5
88.03986	2.1
88.10372	0.6
91.05466	1.8
92.05723	0.5
93.07047	5.1
95.04980	0.8
95.08607	6.6
97.06536	1.2
98.21382	0.6
98.98463	6.1
100.98883	1.1
104.10712	3.4
105.07002	2.1
105.11093	1.3
106.05016	0.6
107.08571	2.3
109.10136	2.6
117.07050	0.7
119.08580	1.1
121.10165	2.5
124.93784	0.6
125.00002	27.3
126.00333	3.3
127.00414	4.9
131.08537	1.3
135.11758	0.8
143.01059	1.1
149.13176	0.7
167.97958	0.6
184.07336	100.0
185.07693	38.2
186.07777	26.5
208.32019	0.6
261.22299	0.8
299.06189	0.7
322.45853	0.6
335.25790	28.1
348.25415	0.6
349.16818	0.7
364.70090	0.6
423.27563	0.8
446.94751	0.5
502.32187	1.6
520.23895	0.6
520.32916	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.6
56.05022	1.3
58.06602	1.4
59.42141	0.6
60.08162	18.2
67.05505	3.5
67.17239	0.6
69.07065	1.1
70.84630	0.6
70.84965	2.0
71.07378	6.1
75.25153	0.6
79.05489	0.9
81.07063	2.2
83.08621	0.8
86.09705	53.3
87.46885	0.6
88.77871	0.7
93.07066	1.2
95.08593	1.8
98.98464	4.0
104.10743	100.0
109.10175	0.7
111.75702	0.6
115.12608	0.7
125.00001	29.4
143.32820	0.6
163.01547	0.8
184.07339	97.7
185.07709	0.6
239.74355	0.7
258.10944	1.0
289.73230	0.7
337.27271	0.8
452.02808	0.7
502.32761	6.8
520.33978	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.8
55.01862	3.1
57.03429	5.5
61.02909	2.5
69.03420	16.4
69.44474	2.5
70.06580	6.7
71.57413	2.6
71.57856	2.8
74.48029	2.7
81.03421	14.1
84.04491	4.3
85.02901	32.5
86.09688	3.1
87.00824	10.8
91.05849	3.2
97.02888	11.3
99.04459	4.5
103.05463	27.7
105.01862	11.6
109.02888	14.8
123.04404	7.9
127.03879	20.3
130.04089	3.2
131.04932	100.0
133.06490	5.7
137.06020	6.6
138.06744	4.0
145.04953	4.7
145.06665	3.3
148.05194	30.5
151.03922	46.6
152.04259	21.8
153.01805	4.7
159.02881	4.4
161.05968	7.9
162.06841	4.9
163.07538	86.9
164.64354	2.9
166.06314	3.8
167.07024	5.4
177.05473	5.9
181.08583	3.6
219.10303	3.1
224.10733	2.6
237.11220	32.6
255.12318	6.8
271.09836	3.5
272.09952	4.6
312.14813	2.6
407.01038	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	519.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.1
55.01858	4.2
55.05514	27.4
57.07071	53.6
65.03940	4.6
67.05503	74.7
69.07062	22.3
69.36218	18.8
69.36652	21.5
71.08631	44.3
77.04864	4.3
79.05485	76.3
81.03413	8.5
81.07049	74.7
83.04968	9.2
83.08610	22.4
85.06532	5.8
85.10183	20.0
88.31193	3.7
91.05466	54.1
93.07038	67.3
95.04971	19.5
95.08602	67.7
97.10155	9.1
105.07026	43.9
107.04950	12.7
107.08568	19.6
109.06481	5.4
109.10146	13.5
117.07030	10.5
119.08588	26.3
123.11666	6.8
124.57801	3.8
129.06984	18.0
133.10132	9.8
135.11670	5.3
137.13326	7.7
143.08504	7.5
145.10100	13.8
147.08043	4.8
147.11693	35.6
159.28520	4.9
161.13271	13.1
171.11691	33.8
174.42868	3.9
189.12817	10.8
189.18599	4.0
207.13814	33.2
227.12782	4.9
239.23688	9.4
320.46918	4.7
323.45740	4.3
349.77786	4.8
353.94501	4.6
361.43961	4.4
519.40710	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76700	10.7
53.03956	11.1
55.05516	19.2
57.03411	20.5
66.31433	9.1
67.05494	13.4
69.07043	27.7
70.06581	15.9
71.04982	16.4
79.05479	28.8
81.07052	63.8
83.04987	18.4
85.02895	35.2
85.06528	21.6
91.05446	18.3
93.07038	28.6
95.01317	26.8
95.04966	51.4
95.08591	15.7
95.36414	9.6
97.02888	16.6
97.06527	67.6
99.04457	25.4
105.07023	43.3
107.08578	21.7
109.06504	41.3
119.04923	16.9
119.08562	17.5
121.06524	25.5
121.10128	24.3
125.05988	31.8
127.03951	14.9
127.07577	18.3
131.08504	18.0
133.06459	15.4
135.08017	11.0
137.05986	100.0
141.01796	26.1
143.06985	20.3
145.06439	15.2
145.10075	55.8
147.04388	11.3
151.07610	11.3
159.11719	30.3
163.11188	34.4
169.10085	14.1
173.09613	44.3
187.11215	72.2
191.10678	34.8
197.09613	17.0
205.12193	43.4
209.11740	33.1
215.10666	58.4
233.11809	37.6
234.17404	12.2
251.12793	62.1
252.66917	11.0
271.06033	65.2
279.09961	11.7
299.06186	27.0
307.15100	14.5
313.07147	12.0
325.16370	14.9
343.17584	24.4
374.48889	12.6
465.28842	13.2
519.24475	72.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.3
55.05510	3.7
57.03434	2.1
59.04990	0.4
60.71614	0.4
61.02904	0.4
67.05509	17.4
67.56490	0.5
69.07066	4.0
71.04988	1.1
71.32663	0.9
71.33013	0.5
79.05500	6.9
81.07059	13.4
83.04988	1.1
83.08624	3.2
89.03922	4.7
91.05466	6.7
93.07059	7.5
95.04951	2.2
95.08611	10.6
97.06523	2.2
97.10175	1.4
99.08128	0.8
105.07028	3.2
107.08611	3.5
109.06533	0.7
109.10165	7.4
111.08071	1.9
111.32026	0.5
117.02518	0.8
117.03379	15.1
117.07008	0.7
119.08578	2.9
121.10149	4.8
123.08041	0.6
123.11694	1.7
129.05457	0.7
131.08575	1.4
133.10149	4.4
134.03667	1.7
135.04425	2.3
135.11685	2.6
137.09613	0.7
145.02852	40.7
145.10146	1.5
147.11725	1.1
149.06006	5.7
149.13255	0.9
151.11137	1.0
159.11662	1.1
162.03120	0.7
163.03848	2.7
163.10951	0.6
167.05539	1.0
173.11732	0.6
173.13274	0.8
177.05478	100.0
186.05592	2.1
195.06532	19.4
215.17964	2.2
222.25122	0.5
230.16692	0.5
233.19012	1.3
251.20065	2.5
273.18521	0.7
291.19623	0.7
299.06213	1.0
300.06268	0.6
325.23712	12.4
498.60992	0.6
519.28589	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.6
55.05514	3.5
65.39947	1.4
67.05509	5.2
69.03413	5.2
69.07030	1.9
70.14810	1.3
70.22537	3.1
70.22895	5.3
79.05480	7.4
81.03404	2.5
81.07049	5.7
83.04990	9.6
85.02891	4.4
86.09648	1.4
91.05418	10.6
93.07063	6.5
94.04181	2.3
95.04954	6.3
95.08627	3.0
97.02902	4.8
103.05463	4.1
105.07011	10.1
107.04913	2.9
107.08620	3.4
109.06527	3.9
109.10137	2.1
111.04436	6.5
113.28484	1.4
115.05463	4.6
117.07043	3.9
117.85618	1.7
119.04931	5.2
119.08591	6.6
121.06490	5.1
121.10127	4.5
122.03650	4.0
123.08083	1.3
127.03956	2.8
128.06227	4.3
129.07019	5.6
131.04945	9.1
131.08614	2.3
132.05739	2.5
133.02869	3.3
133.06508	4.8
133.10115	3.5
135.04381	2.5
135.11652	2.6
137.05975	45.6
141.06966	2.0
143.08571	2.2
144.05714	1.6
145.06471	3.0
145.10143	2.9
147.04411	4.9
147.08061	3.5
149.05971	2.9
151.03880	2.5
151.07507	5.2
153.01852	2.2
157.10060	1.7
159.08067	5.9
161.05992	14.5
161.09631	4.9
163.07559	3.4
163.11189	1.5
165.07011	3.4
167.03397	100.0
167.05626	4.3
167.06996	3.2
168.03812	2.4
170.02048	1.9
171.08081	1.6
172.05193	3.9
173.13322	2.4
174.06761	2.7
175.07535	22.1
176.99545	1.4
177.09125	2.6
178.07870	2.8
179.08585	2.1
181.06502	2.9
183.08058	1.8
184.05287	2.9
185.06075	2.9
187.07529	15.7
189.07065	1.9
189.09123	2.4
190.07800	1.9
193.06497	1.6
194.07259	4.6
195.08040	1.8
199.07498	9.9
201.09174	2.2
203.08559	4.2
203.10631	2.6
205.06677	1.7
209.09589	1.8
211.07510	4.1
215.08727	2.0
216.07782	1.7
217.08469	1.9
218.07263	4.1
219.08049	3.2
221.06010	4.8
221.09616	1.6
222.06773	3.0
223.07433	2.3
225.09129	2.5
231.08075	3.7
233.09605	2.6
234.06842	1.9
235.07509	2.0
237.09143	5.2
244.08859	1.8
246.06726	2.5
247.07535	2.9
247.13322	6.1
249.08984	4.9
253.08713	3.7
253.21571	2.2
255.77960	1.6
259.07562	2.6
260.08246	3.3
261.09171	3.9
263.07040	3.5
263.10776	1.8
265.08545	11.1
267.10333	1.8
271.09641	78.2
275.10617	2.9
277.08539	4.6
278.09415	2.6
279.10275	3.3
281.08133	2.0
281.11816	1.6
283.09692	7.5
285.11264	8.5
289.08533	4.6
290.09155	2.1
291.10156	3.2
293.08246	1.5
293.11752	3.7
297.11191	13.9
299.06119	8.5
303.10016	3.5
304.10800	1.5
307.09689	2.3
309.11218	6.1
315.12497	12.2
321.11279	16.8
323.12750	4.2
335.12939	10.3
339.12259	1.9
347.12744	5.6
365.13815	2.4
439.14944	1.7
459.18344	3.0
471.18079	5.7
489.19156	6.1
501.18744	2.9
519.20532	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	519.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.6
55.05514	3.5
65.39947	1.4
67.05509	5.2
69.03413	5.2
69.07030	1.9
70.14810	1.3
70.22537	3.1
70.22895	5.3
79.05480	7.4
81.03404	2.5
81.07049	5.7
83.04990	9.6
85.02891	4.4
86.09648	1.4
91.05418	10.6
93.07063	6.5
94.04181	2.3
95.04954	6.3
95.08627	3.0
97.02902	4.8
103.05463	4.1
105.07011	10.1
107.04913	2.9
107.08620	3.4
109.06527	3.9
109.10137	2.1
111.04436	6.5
113.28484	1.4
115.05463	4.6
117.07043	3.9
117.85618	1.7
119.04931	5.2
119.08591	6.6
121.06490	5.1
121.10127	4.5
122.03650	4.0
123.08083	1.3
127.03956	2.8
128.06227	4.3
129.07019	5.6
131.04945	9.1
131.08614	2.3
132.05739	2.5
133.02869	3.3
133.06508	4.8
133.10115	3.5
135.04381	2.5
135.11652	2.6
137.05975	45.6
141.06966	2.0
143.08571	2.2
144.05714	1.6
145.06471	3.0
145.10143	2.9
147.04411	4.9
147.08061	3.5
149.05971	2.9
151.03880	2.5
151.07507	5.2
153.01852	2.2
157.10060	1.7
159.08067	5.9
161.05992	14.5
161.09631	4.9
163.07559	3.4
163.11189	1.5
165.07011	3.4
167.03397	100.0
167.05626	4.3
167.06996	3.2
168.03812	2.4
170.02048	1.9
171.08081	1.6
172.05193	3.9
173.13322	2.4
174.06761	2.7
175.07535	22.1
176.99545	1.4
177.09125	2.6
178.07870	2.8
179.08585	2.1
181.06502	2.9
183.08058	1.8
184.05287	2.9
185.06075	2.9
187.07529	15.7
189.07065	1.9
189.09123	2.4
190.07800	1.9
193.06497	1.6
194.07259	4.6
195.08040	1.8
199.07498	9.9
201.09174	2.2
203.08559	4.2
203.10631	2.6
205.06677	1.7
209.09589	1.8
211.07510	4.1
215.08727	2.0
216.07782	1.7
217.08469	1.9
218.07263	4.1
219.08049	3.2
221.06010	4.8
221.09616	1.6
222.06773	3.0
223.07433	2.3
225.09129	2.5
231.08075	3.7
233.09605	2.6
234.06842	1.9
235.07509	2.0
237.09143	5.2
244.08859	1.8
246.06726	2.5
247.07535	2.9
247.13322	6.1
249.08984	4.9
253.08713	3.7
253.21571	2.2
255.77960	1.6
259.07562	2.6
260.08246	3.3
261.09171	3.9
263.07040	3.5
263.10776	1.8
265.08545	11.1
267.10333	1.8
271.09641	78.2
275.10617	2.9
277.08539	4.6
278.09415	2.6
279.10275	3.3
281.08133	2.0
281.11816	1.6
283.09692	7.5
285.11264	8.5
289.08533	4.6
290.09155	2.1
291.10156	3.2
293.08246	1.5
293.11752	3.7
297.11191	13.9
299.06119	8.5
303.10016	3.5
304.10800	1.5
307.09689	2.3
309.11218	6.1
315.12497	12.2
321.11279	16.8
323.12750	4.2
335.12939	10.3
339.12259	1.9
347.12744	5.6
365.13815	2.4
439.14944	1.7
459.18344	3.0
471.18079	5.7
489.19156	6.1
501.18744	2.9
519.20532	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	519.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
68.19567	1.4
69.03405	1.7
69.79266	6.2
79.05499	1.6
81.07034	1.6
91.05479	5.3
94.04167	4.4
95.04979	2.1
96.74582	1.1
103.05473	2.7
105.07053	9.5
107.04924	2.0
111.26350	1.4
115.05458	5.6
116.86298	1.1
117.07001	1.5
119.08591	3.8
121.06489	1.3
122.03654	9.2
128.06297	2.7
129.06998	5.7
131.04942	3.4
132.05672	3.2
133.06499	5.4
137.05978	100.0
138.25099	1.3
144.05692	2.4
145.06476	2.4
146.03644	1.3
147.04414	2.2
147.08060	3.8
149.05975	3.5
151.03975	1.5
151.07465	1.7
156.05716	1.7
159.08044	7.0
160.05205	2.6
161.05978	19.1
163.07527	1.7
165.07013	4.2
166.58876	1.2
167.05544	2.7
167.08492	1.5
168.05734	1.3
172.05133	4.2
173.06088	1.4
175.07550	24.3
178.07745	1.5
179.07082	1.8
181.06573	1.5
187.07552	16.6
189.09119	2.5
190.07861	1.5
191.08591	2.2
193.06444	2.6
194.07271	5.1
195.08049	1.9
199.07550	13.5
202.07785	1.9
203.08580	2.6
205.06532	2.9
215.08574	2.8
217.08577	1.9
218.07202	4.0
219.07988	3.1
221.05989	3.4
222.06741	8.1
225.09085	2.3
229.06400	2.0
231.08026	1.5
232.08897	1.6
233.09576	2.5
234.06828	2.0
235.07504	3.5
237.09064	6.5
243.08073	2.8
246.06689	1.8
247.07474	2.4
249.09093	4.1
250.06264	1.3
251.07034	1.5
253.08481	2.8
260.08249	1.9
261.09131	4.4
262.06204	1.8
265.08591	16.3
267.10217	1.5
270.08807	1.4
271.05786	8.0
273.08969	1.7
276.07898	1.2
277.08606	6.5
283.09573	2.5
285.11337	11.8
289.08560	5.9
291.10016	2.3
293.11838	2.7
294.08871	1.4
297.08163	2.1
297.11234	23.2
299.06036	2.3
303.10205	2.8
306.08826	1.4
307.09879	1.7
309.11221	4.8
310.11948	1.4
315.12619	2.1
319.11191	2.3
321.11295	8.0
322.11963	3.4
323.12732	3.8
335.13116	6.7
379.13330	2.8
396.13892	1.3
407.12531	2.1
411.16037	1.8
419.12491	1.4
427.15652	2.1
439.15500	8.1
451.15497	3.1
459.17984	4.3
471.18030	8.1
483.17712	2.4
501.18845	1.5
517.97021	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
54.04374	0.8
55.01868	1.7
55.05496	1.1
57.03416	1.0
63.14638	0.9
65.03947	1.7
67.05491	3.5
69.03400	1.4
69.07051	1.1
69.70275	0.9
71.59577	0.9
71.59991	1.1
77.82254	1.0
79.05444	0.9
81.03403	4.0
81.07027	3.4
85.06544	1.6
86.63779	0.9
91.05435	9.8
93.07046	2.4
95.04948	1.6
95.08579	1.0
97.02875	1.3
97.31120	1.2
102.08839	1.0
105.07027	2.3
107.08553	1.3
109.02872	3.4
109.06518	0.9
119.04941	22.1
119.08530	1.6
121.10074	1.0
127.03899	1.9
131.08531	1.2
137.05948	1.1
147.04411	100.0
147.11653	0.9
148.04776	1.1
165.05424	3.7
165.09247	1.3
167.05493	2.6
193.08646	6.0
193.59071	0.9
211.09605	4.9
225.04422	1.1
235.09587	1.2
242.57532	1.1
253.10738	1.1
278.50522	1.0
291.08652	4.5
299.06174	4.0
344.97537	1.1
546.76556	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.5
55.01856	1.5
57.03416	0.8
59.12067	0.4
61.02938	0.7
65.03934	0.6
67.05489	1.6
68.99775	1.3
69.03426	2.8
69.36742	2.5
69.37167	1.0
71.04991	0.6
73.02920	1.0
73.44404	0.4
73.94955	0.3
76.18182	0.3
76.99741	0.3
79.05490	2.9
81.03421	3.2
81.07063	2.2
85.02908	7.5
87.00829	3.3
91.05480	1.3
93.07046	0.7
94.04186	1.0
95.04972	2.9
95.08611	0.4
97.02899	2.8
98.21496	0.8
99.04447	1.1
103.03931	1.0
105.01862	1.8
105.07019	0.9
107.04919	1.2
107.08617	0.4
109.02855	2.7
109.06522	6.8
117.01825	0.7
118.04204	0.6
119.04931	1.6
119.08569	0.6
121.06515	1.0
123.04427	40.6
127.03922	4.6
129.01865	0.9
131.04901	0.7
133.06490	1.3
135.04414	2.4
137.05975	100.0
138.06326	0.7
145.05000	1.3
147.03137	0.6
147.04407	5.7
149.05975	1.6
159.02927	2.2
161.05983	17.0
162.06743	0.9
163.03880	1.9
165.05466	4.1
167.05614	0.6
171.04396	0.4
174.06754	0.4
175.03914	0.4
175.07521	0.9
177.04089	0.5
177.05426	2.4
179.07030	1.0
185.05974	0.7
189.05467	2.0
199.21936	0.4
203.07098	0.8
211.07545	0.4
213.05505	0.9
213.66409	0.4
231.06546	1.5
241.08513	0.5
243.10184	1.1
264.07919	0.4
267.10132	0.4
267.14453	0.4
269.08179	1.2
271.09644	30.7
283.02795	0.4
283.09662	1.0
295.09686	2.5
299.06284	0.7
307.09631	0.4
309.11423	0.4
313.10632	2.7
335.07635	0.8
337.10730	2.1
361.10892	1.3
379.11758	2.4
507.73654	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1498
Annotation	Medicarpin 3-O-(6'-malonylgluclside)
Peak:m/z	Relative Intensity
55.05507	0.6
55.31685	0.4
67.05471	0.5
68.99797	0.6
69.03429	0.6
69.16868	0.3
71.58292	0.4
73.04755	0.4
78.72099	0.3
79.05486	0.6
79.45467	0.3
80.78458	0.3
81.03410	0.6
81.07050	0.7
83.04981	1.8
85.02885	0.6
91.05480	1.4
93.07014	0.8
95.04961	1.7
95.08629	0.5
97.02890	0.6
99.04420	0.7
103.05467	3.6
105.07020	1.4
107.08593	0.4
109.06504	0.8
111.04431	1.6
117.07044	0.4
119.08534	0.7
121.06485	0.5
124.01563	1.2
131.04924	7.1
135.08037	0.4
135.11711	0.4
137.02301	0.4
137.05960	1.3
145.10123	0.4
147.11598	0.5
152.01094	1.1
157.10075	0.6
159.08002	0.5
161.05943	0.6
161.09598	1.2
167.03395	100.0
170.02086	2.2
175.07582	0.8
175.11099	0.5
187.11087	0.4
189.08942	0.5
199.07571	0.6
201.12680	0.4
203.10637	0.7
211.11095	0.6
229.08588	0.9
247.13278	1.3
271.09637	86.5
272.09985	1.1
299.06171	0.5
315.12259	0.4
321.11249	0.5
363.75723	0.4
523.88416	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1136
Annotation	Apigenin 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
52.32911	0.1
52.56179	0.1
53.03930	0.1
53.70321	0.1
55.01849	0.2
55.05505	0.2
57.03429	0.2
64.46134	0.1
66.10984	0.1
67.01861	0.4
67.05502	0.4
68.99795	0.3
69.03410	0.3
69.07062	0.6
70.30229	0.5
71.01307	0.1
71.04963	0.2
73.86703	0.1
79.05482	0.5
81.03408	0.3
81.07063	0.7
83.04974	0.5
85.02892	0.4
91.05424	0.7
93.07025	0.5
95.04954	0.4
95.08591	0.2
97.02885	0.2
97.06532	0.9
99.04441	0.4
105.07031	0.6
107.04948	0.4
107.08595	0.4
109.06512	0.5
109.10088	0.2
113.76254	0.1
117.07021	0.2
119.04946	2.0
119.08611	0.3
121.02872	0.9
121.06493	0.4
121.10078	0.3
123.04408	0.2
123.08028	0.2
125.06004	0.7
129.01852	0.3
129.07024	0.3
131.08560	0.3
133.02730	0.2
133.06499	0.2
133.10178	0.2
135.08081	0.1
135.11723	0.1
137.05986	1.8
138.29254	0.1
139.03889	0.2
141.85243	0.1
143.06989	0.5
143.08589	0.1
145.02835	0.6
145.06479	0.3
145.10109	1.3
147.04430	0.2
147.11678	0.2
149.05986	0.1
151.07510	0.2
153.01833	4.3
153.05522	0.2
159.08008	0.2
159.11674	0.4
161.05986	0.4
163.03880	0.5
163.07619	0.2
163.11169	0.5
167.05569	0.2
167.07021	0.2
171.02910	0.8
173.09612	1.0
175.07492	0.2
177.05472	0.2
187.07527	0.2
187.11205	0.7
189.09206	0.2
191.10675	0.2
193.08765	0.1
197.09668	0.2
199.07587	0.2
201.09048	0.2
201.17816	0.2
205.12222	0.7
209.11674	0.2
215.10675	0.8
225.05481	0.3
229.04977	0.3
233.11742	0.8
243.06494	0.4
247.06036	0.3
251.12839	0.3
271.06006	100.0
272.06332	1.9
283.03104	0.2
299.06134	0.3
307.09488	0.2
321.11212	0.2
323.13202	0.2
325.16483	0.2
343.17487	0.2
344.97684	0.3
347.12918	0.2
356.11517	0.1
433.11426	1.1
448.15131	0.3
501.19257	0.3
519.11310	1.6
519.19293	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05015	0.6
58.06602	0.6
60.07877	0.5
60.08162	6.4
67.05495	0.5
68.72198	0.3
69.86578	2.0
71.07372	3.4
79.91924	0.3
81.07046	0.6
82.77189	0.3
82.90356	0.3
86.09705	30.8
93.06944	0.4
98.21590	0.3
98.98469	2.7
104.10745	3.0
105.50235	0.3
124.63116	0.3
125.00005	22.4
139.61343	0.3
149.58319	0.3
184.07339	100.0
185.07652	0.6
240.09592	0.3
500.31326	0.6
518.32343	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.7
56.05032	1.4
58.06601	1.1
60.07878	1.2
60.08162	19.4
66.89735	0.7
67.05504	3.1
69.07079	0.7
70.08245	1.6
70.08640	1.8
71.07374	7.2
77.53725	0.7
79.05473	1.6
79.75835	0.6
81.07045	3.0
86.09705	53.9
91.05495	0.9
93.07044	1.7
95.08601	1.6
98.78082	0.6
98.98467	5.1
104.10743	97.5
105.06971	0.7
125.00003	27.2
133.10078	0.7
143.46368	0.7
163.01520	0.9
184.07341	100.0
195.84207	0.7
213.49178	0.7
232.30328	0.7
258.10864	1.0
282.88889	0.8
335.25293	0.8
378.08545	0.8
500.25793	0.7
500.31348	8.6
518.32452	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	519.1134
Annotation	Apigenin 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
55.05504	0.3
61.12853	0.2
68.99797	1.2
69.03420	0.6
70.08806	0.2
71.58666	0.3
72.28777	0.3
73.02914	0.2
73.66336	0.2
81.03415	0.5
81.04559	0.3
81.07070	0.3
85.02891	1.0
86.46270	0.3
91.05785	0.4
97.02885	0.5
108.25040	0.3
109.02880	0.6
111.04451	0.4
116.98634	0.2
117.03382	0.3
127.03900	0.4
135.04416	2.0
137.02341	4.1
137.05988	2.3
141.06995	0.3
145.03714	0.2
147.04399	0.3
155.03407	2.0
157.06544	0.4
161.02318	2.0
163.03880	0.4
167.05534	0.4
169.06497	0.5
177.13821	0.3
183.04561	0.3
185.05986	0.5
197.06062	0.5
204.06476	0.3
210.02159	0.7
211.02621	0.3
237.02922	0.3
243.06468	0.3
256.63730	0.3
270.04205	0.3
271.06009	100.0
272.06369	3.3
287.05463	0.8
295.11288	0.3
299.06189	0.6
357.13062	0.3
519.10913	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87719	1.3
54.45727	1.6
54.77787	1.5
57.31924	1.1
61.01126	1.6
69.38592	13.6
73.04744	4.5
73.06580	1.5
77.00594	10.0
79.02166	3.2
79.74267	1.4
84.63144	1.3
89.06035	5.7
91.05811	14.8
93.07060	1.4
93.16850	1.2
95.01644	100.0
98.20770	2.3
99.02663	1.8
113.02658	6.9
114.07386	1.6
117.03670	2.9
117.07310	5.0
118.03217	13.6
119.01625	2.3
121.03199	6.4
126.67939	1.4
131.08539	1.6
145.06801	52.3
145.10147	1.4
147.04736	28.2
161.09935	4.6
165.05815	7.3
169.03452	3.1
189.09422	20.8
191.07347	9.7
213.70091	1.6
233.12070	14.4
239.09567	5.5
265.10992	1.7
297.84262	1.7
321.17236	11.7
470.08975	2.1
518.38635	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3888
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
55.05508	13.0
56.05299	5.9
67.05495	38.9
69.07066	16.1
69.29643	60.0
71.04968	5.3
79.05503	28.3
81.07048	39.8
83.08634	10.8
90.78657	5.7
91.05480	19.2
93.07053	35.7
95.08611	30.1
97.06512	7.0
97.10154	7.2
105.07040	18.9
105.77190	5.4
107.08609	23.4
109.10136	12.7
117.06998	10.0
119.08615	27.7
121.10175	7.6
123.11710	7.1
129.06938	7.5
131.08543	13.8
133.10141	24.5
135.11722	12.2
143.08577	6.8
145.10138	21.4
147.11710	17.2
157.07846	5.8
157.10138	7.6
159.11690	16.1
161.13208	10.6
166.88458	5.8
171.11661	9.3
173.13335	10.3
175.14844	7.7
187.67889	6.2
197.89098	5.7
213.69653	6.5
258.90228	5.6
407.33130	6.8
425.34241	13.7
443.35175	8.1
499.37573	15.8
517.38770	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3887
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
55.05510	19.3
57.03424	8.8
58.81458	3.4
67.05505	49.9
67.16955	2.8
69.07083	20.5
70.05521	3.1
71.59400	4.2
72.10871	2.8
75.83105	3.0
79.05495	31.9
79.33292	3.6
81.07054	50.4
83.04995	3.4
83.08621	11.7
85.06541	5.0
91.05474	30.6
91.98502	3.3
93.07050	36.3
95.04941	6.1
95.08605	43.8
96.10863	2.9
97.06506	4.1
97.10138	5.6
105.07028	30.4
107.08585	27.3
109.10159	18.4
117.07028	11.1
119.08581	32.4
121.10144	21.9
123.11694	5.4
129.07013	6.5
131.08540	20.2
133.10132	19.4
135.11684	12.3
143.08549	8.7
145.10124	23.0
147.11688	17.3
149.09555	3.6
149.13237	8.6
151.11214	3.5
157.10147	10.3
159.11670	18.9
161.13278	9.4
169.10143	4.2
171.11703	8.9
173.13240	9.7
175.14824	7.6
183.11676	5.6
187.14809	5.5
199.14874	4.5
201.16373	3.6
213.16399	5.8
287.23465	4.0
330.77087	3.2
407.32858	6.5
425.34109	14.2
443.35333	8.2
499.37863	20.1
517.38892	100.0
518.38898	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	517.3887
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03944	3.3
55.05523	15.2
57.03427	7.7
67.05507	36.1
69.07067	15.6
71.04995	2.2
74.60956	1.6
79.05492	30.5
81.07054	37.5
83.08630	7.8
85.06563	2.2
91.05481	25.0
93.07034	31.1
95.04968	2.5
95.08606	32.4
97.06541	4.1
97.10185	3.5
98.21509	4.7
103.33821	1.9
105.07028	30.7
107.08602	22.1
109.10149	15.3
117.07047	8.0
119.08566	26.5
121.10121	16.1
123.11728	4.7
129.07007	4.4
131.08568	16.7
133.10141	18.6
135.11647	11.1
143.08585	6.5
145.10152	17.5
147.11696	16.6
149.13261	5.7
157.10194	6.7
159.11697	12.2
161.13300	8.6
163.11186	2.0
163.14856	2.9
169.10155	2.9
171.11752	5.6
173.13297	13.7
175.14850	4.1
177.95949	1.9
183.11755	2.6
185.13307	4.5
187.14798	4.6
197.13269	2.1
199.14799	4.5
201.16492	2.8
241.17899	3.0
259.20575	3.9
285.22220	2.5
301.25616	2.6
313.25357	2.4
335.25690	2.3
405.30072	3.1
407.33115	7.9
425.34326	17.4
443.35287	7.8
499.37949	18.4
517.38843	100.0
518.38837	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	517.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18393	0.6
55.05499	1.1
57.03428	2.3
57.07075	5.1
59.05002	3.0
65.03940	1.6
67.05503	21.6
69.03434	11.4
69.07063	1.0
70.05412	0.6
71.04596	0.9
71.04990	16.9
71.59421	1.0
79.05482	3.5
81.03425	0.9
81.07063	4.2
83.04965	1.8
85.02894	1.5
85.06542	21.2
85.10229	0.6
87.04456	2.6
89.62906	0.7
91.05467	2.9
92.00428	0.6
93.07036	3.0
95.04362	1.3
95.04967	23.6
95.08601	2.7
97.02916	0.7
97.06541	0.7
100.11256	1.1
101.06011	1.0
103.05498	0.7
105.07031	3.1
107.04938	0.8
107.08587	2.9
109.06513	1.5
109.10160	1.8
111.08012	0.7
113.06004	100.0
114.06401	0.6
117.07038	1.1
119.08601	2.5
121.06487	0.6
121.10139	2.6
125.06001	4.3
127.03884	0.8
129.06995	1.2
131.08546	1.8
133.10118	2.2
135.04437	0.8
137.05989	2.1
137.09656	1.0
139.03905	1.2
141.07027	0.8
143.08574	2.1
145.08595	17.0
145.10118	2.2
147.08105	0.7
147.11719	1.5
149.06075	0.7
153.05461	7.2
155.07010	5.5
155.08185	0.9
157.10139	1.5
159.11687	1.8
161.05988	0.8
165.07144	0.7
167.07007	0.8
168.14632	0.8
173.13274	0.9
177.05501	1.1
185.13313	0.8
189.16454	1.5
195.11729	0.9
199.14827	1.3
201.05417	0.9
201.16338	4.8
215.18015	1.0
217.12251	0.7
229.12260	0.7
241.08478	0.8
249.16074	0.7
277.19421	0.6
291.21048	0.9
309.21991	0.8
331.05179	1.5
337.21512	5.3
349.05795	1.1
355.11688	1.0
355.22659	11.0
373.23706	2.8
505.89008	0.8
517.18530	0.9
517.26880	0.9
517.33801	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1344
Annotation	Formononetin 7-O-glucoside-6''-malonate
Peak:m/z	Relative Intensity
55.59681	0.3
57.03432	0.4
57.07763	0.4
58.04708	0.4
65.41949	0.4
67.05470	0.7
70.00237	2.3
79.05506	0.6
81.07040	0.9
85.02873	0.4
91.05476	0.6
95.04961	0.4
105.07008	0.6
107.04950	1.5
118.04168	2.9
119.08609	0.5
121.06487	0.4
123.04431	1.0
133.06496	0.6
137.02354	0.8
137.05971	1.9
139.03905	0.5
139.33281	0.4
147.04314	0.6
153.07050	0.5
154.02611	1.5
161.06004	0.6
163.03897	0.7
167.07101	0.4
177.05476	0.5
181.06499	1.1
182.07260	0.6
197.05945	1.2
198.06717	1.1
213.09116	5.7
225.05418	0.6
226.06203	2.7
237.05435	5.0
253.04942	4.5
254.05748	5.8
269.08078	100.0
270.08423	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
55.05503	9.8
55.32157	1.6
56.10273	1.5
57.03440	2.1
57.07073	3.0
67.05501	19.4
69.03426	9.4
69.07070	11.2
69.27937	16.1
69.28349	4.7
71.04987	4.1
79.05477	5.0
81.03401	3.3
81.07049	20.7
83.04984	11.0
83.08609	8.1
85.02889	16.0
85.06539	3.7
93.07030	7.6
94.86539	1.7
95.08600	32.6
96.18623	1.6
97.02885	7.4
97.10118	2.1
98.20788	3.9
99.04454	11.7
99.08093	2.5
103.03937	16.2
105.07010	6.7
107.08572	21.6
109.02873	3.7
109.06508	9.9
109.10148	100.0
111.08067	5.0
119.08582	30.4
121.10154	16.3
123.08049	11.5
123.11718	10.3
127.03893	19.0
133.10112	18.2
135.11679	93.2
137.09598	16.3
139.11179	3.5
144.71344	2.1
145.04967	10.4
149.13245	4.9
151.11165	8.7
151.14819	11.5
153.12711	2.6
163.05995	2.9
175.14812	45.4
193.15871	52.1
211.16914	95.1
212.17183	2.2
302.47809	2.2
431.15872	9.8
449.40244	1.8
536.76141	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.4
55.01871	2.9
55.05514	17.3
57.03433	6.9
57.07076	2.4
62.04245	1.5
65.03938	3.7
67.05505	52.0
69.07068	16.6
70.63374	6.2
71.01360	3.1
71.04979	4.1
75.31831	1.8
76.23223	1.5
79.05495	43.1
81.03437	2.3
81.07056	46.2
83.04982	5.1
83.08608	8.8
85.02902	4.1
85.06561	2.3
90.54092	1.8
91.05479	29.9
93.07041	47.5
95.04973	4.6
95.08608	23.2
95.67287	1.7
97.06531	7.5
97.10169	8.2
99.45444	1.6
105.07027	18.1
107.08593	25.0
109.10136	12.4
115.05502	2.4
117.07040	9.2
119.08591	17.9
121.10127	15.9
121.10822	1.7
123.08121	2.0
123.11718	2.8
125.09695	2.4
129.07037	5.0
131.08560	18.6
133.10097	12.4
135.08269	1.8
135.11699	34.5
141.99368	1.9
143.08543	8.8
145.10104	17.6
147.11649	9.3
149.13213	2.7
155.08598	5.3
157.10135	5.1
159.11713	10.6
161.13303	2.3
169.10187	3.2
171.11700	8.4
173.13293	7.2
181.10185	2.2
181.12250	4.9
183.11694	6.7
185.13258	4.1
187.14786	2.7
197.13335	3.0
199.14856	3.5
249.60016	1.9
261.22174	5.3
311.24005	1.8
316.14606	1.7
389.26828	2.0
405.31476	3.3
423.32706	11.6
441.33765	4.4
497.36404	7.1
515.37366	100.0
516.37805	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	515.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.7
55.01869	3.7
55.05511	26.7
55.20209	1.9
57.03434	10.8
57.07072	4.0
65.03943	2.5
67.05505	70.8
69.03435	1.9
69.07063	25.7
69.91148	3.8
69.91552	8.3
71.01371	2.6
71.05004	3.4
79.05495	64.3
81.03419	4.2
81.07053	49.3
83.04980	7.7
83.08621	6.9
85.06531	3.8
88.39536	1.6
91.05476	42.2
93.07041	74.4
95.04977	12.1
95.08609	34.8
97.06514	10.4
97.10169	11.6
101.31624	1.6
103.05483	1.6
105.07031	19.9
107.07880	2.3
107.08598	39.7
109.06509	3.3
109.10143	13.9
111.08055	3.4
115.05477	2.5
117.06998	13.3
118.05188	1.9
119.08575	17.0
121.10149	21.5
123.11729	2.8
125.09625	2.1
125.62785	1.8
129.06993	4.9
131.08563	18.9
133.10130	13.6
135.11691	47.0
135.12714	3.4
143.08577	7.6
145.10110	20.3
147.11682	8.0
149.13269	4.9
153.12766	2.3
157.10139	6.6
159.11636	11.3
161.13185	3.3
163.11191	4.8
163.77571	1.9
167.99336	1.7
169.10167	4.2
171.11707	5.9
173.13243	9.2
175.14886	2.3
181.12283	6.1
185.13292	4.5
187.14868	4.9
199.14832	3.7
201.16315	2.8
243.21068	2.9
249.79579	1.8
261.22195	7.5
311.24069	2.3
399.15472	1.8
405.31421	2.3
423.32455	9.4
441.33804	4.4
497.36295	3.9
515.37335	100.0
516.37897	3.1
526.83734	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.6
55.01839	4.5
55.05513	24.1
57.03421	7.4
65.03925	5.8
67.05173	5.4
67.05505	68.0
68.45557	3.1
69.07081	25.7
70.27015	15.1
71.05003	3.8
79.05069	4.2
79.05495	58.3
81.07059	48.2
82.38280	3.3
83.04987	9.2
83.08596	6.8
91.05489	40.2
93.07044	71.8
93.63647	3.6
95.04960	6.2
95.08609	36.7
97.06535	11.6
97.10173	6.6
105.07034	26.9
107.08587	42.1
109.10153	12.0
117.07022	12.6
119.08590	25.3
121.10163	19.3
123.11737	5.3
129.06984	7.1
131.08589	20.2
133.10168	16.2
135.11694	46.0
136.58446	3.6
137.15033	3.1
143.08543	8.7
145.10109	23.0
147.11644	8.8
149.13251	6.7
155.08586	4.5
157.10178	7.1
159.11700	14.1
161.13356	4.8
163.11166	3.6
167.95595	3.7
169.10066	3.9
171.11745	4.2
173.13281	7.0
183.03430	3.1
187.14859	4.5
197.13255	3.6
199.14825	4.4
201.16351	5.9
209.13374	3.5
213.16339	4.0
261.22275	5.3
269.18625	4.3
372.25888	3.5
405.31870	3.4
423.32446	13.9
497.36679	5.6
515.37384	100.0
516.37543	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	515.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	9.4
55.05498	16.9
57.03421	17.1
59.58265	5.3
65.73138	5.0
66.47492	5.2
67.05502	82.4
69.03414	13.7
69.07053	20.0
70.99010	13.0
70.99354	5.3
71.05003	7.5
71.17271	5.7
79.05496	60.3
80.36253	5.2
81.03424	9.2
81.07050	100.0
83.08604	11.4
84.27263	6.4
85.02914	11.2
85.06525	5.5
85.97681	5.6
91.05470	35.6
91.79446	6.1
93.07034	52.8
95.04974	14.8
95.08609	58.8
97.02859	6.9
97.06521	6.2
97.10141	8.0
99.69118	6.2
105.07035	40.4
107.04953	8.3
107.08614	39.1
109.06532	10.0
109.10168	26.0
117.07006	13.1
119.08538	25.7
121.06480	6.2
121.10149	37.8
123.08047	7.7
123.11739	10.2
125.09647	5.7
131.08563	21.2
131.90048	7.5
133.10109	16.4
135.11667	20.9
137.13219	8.4
143.08597	5.7
145.10097	17.6
147.11693	13.2
149.13226	16.5
157.10037	6.3
159.11740	13.9
161.13260	15.1
173.13274	13.7
179.85480	4.7
181.12589	4.7
187.14769	7.1
199.14792	5.2
243.21138	16.8
261.22134	42.7
285.22125	8.1
303.23254	10.1
335.25754	14.5
345.24045	6.2
353.26660	10.7
366.70099	6.4
369.23941	9.9
425.93637	6.0
515.12714	6.2
515.26001	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	515.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	38.9
57.03432	9.9
63.18835	7.9
67.05502	86.9
69.03422	18.1
69.07056	19.5
71.58975	14.9
78.40479	7.6
79.05487	51.6
81.03417	21.3
81.07060	100.0
83.08617	12.5
85.02881	17.3
91.05476	49.5
93.07045	80.1
95.04931	15.4
95.08599	69.2
97.06528	9.7
105.07030	44.5
107.08589	44.0
109.06538	15.6
109.10153	34.2
117.07001	29.9
119.08572	38.5
121.10145	28.1
123.11710	17.5
129.06998	19.6
131.08568	33.6
133.10129	29.4
135.11702	30.9
137.05896	11.2
139.72823	8.0
143.08589	13.6
145.10114	28.0
147.11674	27.3
149.13234	14.9
157.10185	14.3
159.11691	28.4
161.09648	9.0
161.13289	10.3
163.14682	13.7
171.11722	13.6
173.13255	23.3
181.44339	9.4
185.13281	16.4
187.14886	13.4
233.67592	9.1
255.17430	8.7
261.22076	46.2
353.27112	19.3
369.24359	15.6
515.24518	9.4
515.37201	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.8
53.10620	4.2
55.01903	4.2
55.05508	21.3
57.03435	7.4
57.07064	5.1
61.02917	8.2
65.03931	5.2
67.05509	100.0
69.03424	8.4
69.07061	24.7
71.04994	8.6
71.32899	10.5
79.05489	71.9
81.03421	12.2
81.07058	97.4
82.85616	4.1
83.08628	10.8
85.02905	8.7
85.06519	5.7
90.86087	4.5
91.05482	58.1
93.07050	82.8
95.04975	13.5
95.08607	74.6
97.02897	6.6
97.06548	4.4
97.10171	9.1
105.07028	34.7
107.08587	39.8
109.06506	10.4
109.10149	34.7
111.08033	4.6
117.07031	19.5
119.08584	27.3
121.10139	39.4
123.08022	6.2
123.11662	11.5
129.07011	6.4
131.08577	23.8
133.10129	18.8
135.08041	5.1
135.11681	37.8
143.08582	5.8
145.06494	5.5
145.10100	23.0
147.11646	19.6
149.13281	26.5
155.08569	6.2
157.10089	5.7
159.11685	18.7
161.13223	13.5
163.14758	11.7
171.11621	5.9
173.13281	20.6
175.11244	4.2
175.14838	5.0
177.16385	6.6
187.14893	8.4
201.16429	5.6
207.13876	4.4
243.21092	19.6
261.22198	68.8
335.25702	12.1
353.26932	17.4
369.24487	4.4
515.36981	33.9
529.84314	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	515.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.0
55.01838	2.9
55.05510	22.0
57.03437	8.0
58.72229	3.1
61.02908	4.2
67.05506	85.9
69.03415	8.7
69.07072	17.9
70.28699	3.0
70.29033	11.3
71.04955	3.3
79.05077	3.9
79.05500	55.2
79.62608	2.8
81.03394	5.9
81.07061	100.0
83.04976	4.0
83.08604	7.8
85.02882	10.1
89.62143	3.0
91.05486	33.2
93.06478	4.1
93.07044	59.0
95.04974	10.9
95.08609	69.6
97.02884	4.1
97.10160	6.0
99.08108	5.2
105.07031	22.2
107.04984	4.8
107.08594	38.0
109.06519	4.5
109.10167	30.3
116.08286	3.2
117.07005	11.7
119.08584	23.6
121.06529	3.9
121.10155	29.8
123.08083	5.8
123.11725	13.9
129.06981	8.1
131.08565	28.4
133.10109	17.6
135.11691	24.3
137.09666	3.7
137.13255	7.5
142.76830	2.9
143.08546	6.4
145.10107	17.9
147.11693	10.3
149.09616	5.7
149.13272	18.3
158.52690	3.3
159.11729	14.9
161.13258	14.1
163.11140	4.8
163.14781	8.9
169.10182	4.3
172.95345	2.8
173.13385	13.9
176.11407	2.9
177.16382	4.9
183.07497	3.1
185.13081	3.6
187.14790	7.4
195.11588	3.0
201.16391	3.5
203.57814	2.8
243.21132	13.2
257.81216	3.4
261.22122	51.2
279.23312	4.1
303.23135	6.8
335.25897	19.5
345.24213	5.3
353.26868	11.9
497.30771	4.1
515.36877	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
55.05497	1.2
67.05496	2.6
69.03426	7.0
69.07039	1.8
69.25255	0.9
70.22418	2.1
70.22829	3.3
79.05474	1.3
80.10421	1.0
81.03410	7.2
81.07075	5.0
83.04965	1.9
85.02898	12.6
89.50278	0.9
91.05491	1.4
93.07011	1.7
95.04954	3.4
95.08598	4.2
97.02884	5.3
98.20800	1.0
99.04451	5.9
99.08131	0.9
103.03938	10.0
105.07022	3.2
107.08614	6.2
107.29804	1.0
109.02865	4.0
109.06485	5.5
109.10124	2.3
119.08628	2.3
121.10124	8.6
122.07228	1.5
123.08035	4.5
123.11691	2.3
127.03905	16.3
131.67075	1.0
133.10133	4.8
135.08002	1.2
137.09619	9.0
145.04974	5.9
147.04391	1.1
147.11696	1.6
149.09549	5.5
149.13217	5.0
151.11189	15.0
153.01804	2.0
163.06046	2.8
165.12749	38.8
173.13174	1.3
187.06081	1.4
191.14229	6.9
193.15913	2.9
201.03716	6.8
203.05251	17.2
209.15353	100.0
210.15826	1.1
339.17786	24.1
377.06967	6.5
379.08466	11.1
383.73645	1.1
515.21014	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	515.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33979	0.9
55.53449	1.1
56.96545	2.9
61.29522	0.9
69.03391	0.9
71.21981	2.2
82.99833	1.7
84.95987	1.2
97.02850	1.0
98.97588	2.6
101.00882	5.8
109.02876	1.4
110.97517	1.0
116.98584	1.8
119.01914	20.9
127.02438	3.9
128.98621	2.5
131.01886	6.0
133.03439	3.3
137.02916	3.2
143.01903	13.5
145.03467	32.0
146.99742	1.8
149.02972	1.0
155.01895	11.4
157.03464	13.2
158.99623	1.4
161.02954	22.2
163.04524	4.9
167.01897	4.4
169.03477	4.3
170.99588	1.0
171.05046	1.5
173.02962	20.8
175.04527	6.8
177.00687	1.5
179.01917	2.5
184.04596	1.5
185.02950	39.0
185.04602	1.9
186.03163	1.1
187.04517	7.0
189.00688	2.1
189.05797	1.1
190.98668	1.7
191.02361	1.8
191.03984	16.7
197.02960	14.0
199.04521	2.8
201.00656	2.4
203.03993	13.8
208.04570	1.3
208.97452	1.4
208.99646	3.0
209.03018	1.8
209.04947	2.6
215.04007	10.1
219.01744	2.6
221.05013	2.2
227.03966	6.7
229.05463	1.0
232.99728	2.1
233.05043	17.5
234.72899	0.9
235.35172	1.0
237.02878	1.7
245.05072	100.0
246.05252	3.2
247.06590	2.1
251.00749	1.3
251.06201	4.5
253.07732	3.9
257.04968	5.0
261.02835	1.4
263.06140	14.7
275.06082	19.6
277.07626	1.2
279.03943	2.2
287.05963	1.2
293.07132	8.4
295.08682	1.8
305.07159	12.4
315.01877	0.9
317.07129	2.7
335.02802	1.6
335.08194	11.0
339.07516	1.1
353.03931	2.2
356.52225	1.1
365.09274	20.9
366.09644	1.2
381.06845	1.0
383.10184	2.5
497.13483	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	515.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
54.61733	0.5
55.73740	0.5
56.05014	0.8
57.03411	0.5
60.80099	0.5
61.02925	0.7
69.03432	3.6
71.57980	0.5
81.03419	3.6
84.04501	8.6
85.02908	5.2
87.00811	1.0
91.05467	2.9
93.07055	5.2
95.04950	0.9
97.02879	1.4
97.61821	0.4
99.04453	1.0
103.05469	4.2
109.02878	3.3
121.06504	100.0
122.06834	1.2
127.03908	3.8
129.10277	0.5
130.04999	6.5
138.09138	15.1
153.01889	1.2
163.07552	1.3
187.06119	1.1
204.10255	1.4
221.12869	2.6
250.10745	6.4
267.13409	22.3
300.14465	0.9
302.24719	0.6
309.14252	0.5
342.15442	0.7
386.14496	9.0
429.18576	2.6
454.17078	2.0
469.18790	0.8
471.20062	1.1
497.17163	0.5
498.16064	1.8
515.11432	1.1
515.18732	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	514.395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	23.4
67.05487	2.7
69.07065	2.9
71.08633	39.6
71.59287	3.2
72.76718	2.4
73.06551	7.7
85.10180	22.5
87.04446	5.8
89.06028	100.0
93.07066	2.4
107.07106	3.5
117.09145	4.4
119.40082	2.4
127.14854	3.9
130.08630	2.8
133.08604	51.8
171.17480	6.5
177.11208	21.5
181.33107	2.3
215.20021	12.1
259.22696	5.4
283.17615	3.6
327.20102	2.6
371.22888	4.9
497.36627	7.2
521.79858	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	515.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	6.3
57.03419	2.6
61.02920	2.9
69.03439	11.8
71.58063	4.3
73.02911	2.6
80.29741	2.1
81.03420	4.1
82.06569	2.3
85.02905	18.0
89.03939	2.4
97.02902	10.9
98.97590	6.0
99.04467	2.6
101.00893	3.5
103.02383	2.5
105.02163	2.5
109.02883	2.2
116.98601	7.2
117.03357	6.0
119.01914	14.9
119.04971	3.3
121.01678	5.4
127.02427	4.8
127.03918	5.6
128.98672	2.8
131.00137	4.4
131.01903	11.5
132.01909	2.5
133.01680	5.6
133.03444	15.2
134.99704	5.0
135.03209	13.5
135.04166	2.3
136.06218	2.8
137.02930	4.0
143.01874	17.5
145.01668	5.4
145.03453	18.5
145.04977	4.0
146.99626	4.7
147.03221	3.6
147.05069	4.7
149.01176	6.5
149.04704	2.8
151.02693	2.6
151.04536	5.0
153.04205	3.6
155.01845	12.0
155.51573	2.3
157.03500	14.6
159.05032	6.8
161.02956	25.7
161.04742	5.2
161.55588	2.9
163.02676	6.3
163.03989	7.1
167.01967	3.2
169.03636	3.1
171.05031	11.8
173.01465	3.9
173.02962	23.2
173.04706	6.3
175.02780	7.0
175.04512	11.4
177.04164	4.4
177.05519	11.2
179.01982	4.1
183.04984	6.6
185.02974	24.7
185.06662	3.6
187.02756	3.0
187.04553	6.9
189.00722	3.0
189.06033	5.5
191.02339	3.3
191.03990	11.9
191.05742	3.1
195.07158	3.5
196.04643	2.9
197.02902	13.8
197.06970	3.9
199.02725	4.3
201.06139	4.6
203.04007	14.1
203.05728	2.9
211.04482	2.7
213.04410	3.1
215.04002	6.7
218.05391	2.3
219.01962	3.2
219.07144	19.6
220.07246	3.9
221.05217	13.4
221.06726	14.0
223.04768	12.0
225.06076	3.1
227.04019	4.7
231.07190	16.7
233.05000	8.7
233.06955	15.9
233.08882	2.6
235.08447	5.1
237.02759	7.6
245.05086	100.0
246.05240	3.9
247.04771	14.6
247.08423	2.7
251.06100	3.8
255.07182	5.9
257.04865	4.7
257.07190	5.9
263.06085	10.9
269.03006	4.4
273.08185	3.8
275.05667	12.5
275.08572	3.9
291.09213	5.6
293.07184	3.3
305.07169	11.6
317.07162	2.8
321.10312	79.1
322.10645	11.7
323.10132	87.8
335.08163	10.3
337.08051	4.7
339.11230	8.9
341.07275	2.4
341.11224	7.9
344.09869	3.2
365.09354	19.9
387.57410	2.7
497.12289	14.8
515.13043	26.7
515.24554	5.4
516.13837	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	514.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31995	0.3
51.47924	0.3
53.03949	0.7
56.96563	0.5
65.56849	0.3
70.32043	1.3
78.10727	0.3
81.03410	0.6
84.52605	0.3
84.96033	0.4
85.02881	1.0
91.05469	3.3
93.07044	5.2
95.04983	1.6
98.97596	1.8
103.05474	3.5
105.04494	0.4
116.98601	1.4
120.32750	0.3
121.06500	100.0
122.06828	1.6
128.98662	0.6
134.99654	0.8
137.05959	0.9
138.09137	28.7
147.04433	0.6
153.01878	1.4
158.99690	0.4
177.00775	0.9
189.00586	0.4
201.00705	0.4
219.01752	0.6
221.27338	0.3
232.27078	0.4
237.02850	1.0
309.08554	0.8
318.04633	0.3
415.10092	0.9
433.10397	0.3
461.09827	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.9
56.05023	4.8
57.03427	2.0
61.02919	1.8
67.05505	15.0
69.07061	3.4
74.06083	77.4
77.22665	1.1
79.05493	7.8
81.07059	12.0
83.08568	1.4
91.03992	1.3
91.05477	5.3
92.07119	100.0
93.07042	7.5
95.04945	2.2
95.08619	7.3
105.07050	3.9
107.08613	4.3
109.10162	4.4
117.06997	1.4
119.08626	1.9
121.10159	3.3
128.07124	2.5
133.10168	1.9
135.11662	2.2
145.10147	1.2
147.11742	1.9
156.03568	1.3
157.10158	1.3
172.95200	2.0
193.12228	1.3
261.22174	1.6
334.27420	48.8
335.25464	2.1
352.28455	26.9
352.32800	1.4
514.36017	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.4
55.01858	1.9
55.05510	15.6
57.07085	7.0
58.84355	1.3
59.41438	1.3
65.03928	1.4
67.05504	27.5
69.07070	13.2
69.37311	3.4
69.37737	12.1
69.56338	1.3
70.06585	2.6
70.74445	1.5
71.08634	4.0
79.05495	21.2
81.07057	26.6
83.04973	2.6
83.08631	8.9
85.10176	2.7
88.07639	2.0
89.06039	3.6
91.05482	21.2
93.07040	22.3
95.04964	4.0
95.08606	19.3
95.14666	1.5
97.06517	3.8
97.10177	4.1
102.09194	2.7
105.07031	26.7
107.08591	15.4
109.10164	7.4
115.05444	1.9
117.07013	12.2
119.08581	22.7
119.09383	2.4
121.10132	7.7
123.11674	2.0
125.09615	3.0
128.06230	4.0
129.07001	13.1
131.08557	22.7
133.10136	13.4
135.08112	2.0
135.11720	6.9
141.06984	4.0
142.07768	3.4
143.08554	18.7
145.10129	20.1
147.11691	7.4
154.07719	1.7
155.08549	10.0
156.09286	1.7
157.10129	15.9
159.11696	14.5
161.13254	2.7
167.08629	4.3
169.10114	17.0
169.84889	1.3
171.11720	12.4
173.13223	7.5
181.10126	5.4
183.11691	13.0
185.13292	11.3
187.14833	2.9
193.10147	3.0
195.11713	5.0
197.13252	7.2
199.14847	7.9
207.11681	2.5
209.13261	5.4
211.14818	5.2
213.16428	2.7
221.13272	2.1
223.14806	3.2
225.16385	3.1
237.16373	2.0
256.26364	7.3
257.26770	5.6
261.18811	2.9
269.19083	1.9
283.20544	2.1
283.26340	7.0
284.26740	6.6
297.22107	1.6
309.22107	2.0
311.23654	2.4
315.23157	1.9
317.81436	1.6
323.23810	2.2
325.21490	1.8
393.31747	1.9
403.29980	4.2
415.05234	1.6
421.30981	16.5
439.32013	7.6
447.10828	1.6
457.33276	4.4
459.32495	2.2
477.33679	2.0
495.34903	8.0
513.35797	100.0
513.50598	23.3
514.36493	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	513.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	11.2
55.05511	14.8
57.03428	13.2
61.02908	27.1
65.17656	6.4
67.05510	71.2
68.60552	7.2
69.03434	13.7
69.07057	22.4
70.76173	23.9
71.04973	11.9
73.02892	11.0
79.05483	50.0
81.03413	22.0
81.07061	73.0
83.04964	9.5
83.08620	15.1
85.02884	24.4
91.03954	9.2
91.05466	55.0
93.07031	58.9
95.04998	13.2
95.08592	33.9
97.02895	12.3
97.06538	11.9
97.10139	6.7
99.08070	10.4
105.07031	52.4
107.08584	43.1
109.02894	7.5
109.06499	8.2
109.10156	29.3
117.07015	12.7
119.08594	51.2
121.10119	17.8
125.09652	8.3
129.05490	7.1
129.07043	15.0
131.08594	32.9
133.10098	38.4
135.11711	34.8
137.09610	8.1
143.08490	9.6
145.10126	34.8
147.11676	46.2
149.09627	8.3
149.13283	13.3
157.10089	13.4
157.93059	6.4
159.08076	8.4
159.11693	24.1
161.13260	25.3
163.14767	7.1
167.07065	8.7
171.11737	18.4
173.13266	9.8
175.14870	18.7
185.13237	18.7
199.14722	9.3
241.19545	18.6
249.56764	6.7
259.20584	56.1
277.21472	9.3
351.25290	100.0
363.25549	8.6
417.03421	7.6
459.06802	8.0
477.28445	9.5
495.29156	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53233	2.3
53.03945	3.7
55.01868	13.5
55.05511	33.9
56.23541	2.6
56.96560	4.6
57.03179	3.2
57.03434	31.2
57.07069	3.2
59.04981	3.2
65.03925	3.5
66.19518	1.9
67.05502	100.0
69.03409	8.3
69.07078	16.6
71.04984	5.2
73.02905	9.0
79.05482	27.4
81.03399	8.3
81.07058	54.2
82.53461	2.0
83.04977	5.9
83.08607	19.8
85.02889	8.4
85.06520	3.8
91.05481	26.1
93.07040	27.3
95.04956	6.3
95.08598	18.5
97.02903	2.0
97.06503	7.0
97.10172	15.2
99.08099	2.3
105.07018	11.9
107.08572	18.2
109.06510	3.1
109.10152	66.3
111.08057	6.0
116.04700	5.8
117.06995	6.9
119.08583	12.2
121.10149	6.5
123.08060	4.3
123.11718	4.8
125.09656	13.7
129.05475	32.3
129.06949	5.6
131.08586	11.1
133.10097	10.3
135.11720	4.7
137.09593	4.1
143.07019	7.8
143.08533	4.1
145.10100	4.1
147.11661	4.8
149.13226	9.2
155.10559	4.4
157.10117	6.4
159.11650	7.6
163.11154	4.0
165.12637	2.7
169.10074	3.3
171.10176	3.5
171.11658	2.6
172.95091	2.1
173.11743	25.0
173.13216	3.7
183.11821	3.8
185.11681	6.6
185.13214	2.6
195.12019	2.3
195.13753	11.7
199.13188	2.5
229.07512	3.8
229.14343	33.7
257.17395	2.8
269.10495	3.8
269.17459	8.4
283.26205	4.3
287.11285	2.1
297.17041	3.2
403.29678	2.6
421.30853	4.0
423.27402	22.5
471.17941	2.4
513.36414	15.9
513.50647	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	513.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	15.2
57.03429	9.6
61.02922	16.6
67.05508	45.6
69.03415	10.6
69.07072	9.5
70.72001	17.0
71.04996	6.4
73.02892	6.1
79.05493	36.4
81.03399	10.1
81.07053	45.4
83.08627	8.9
85.02908	18.2
87.13055	6.3
91.03967	6.9
91.05460	34.6
93.07040	50.9
95.04960	9.0
95.08606	35.7
97.02918	8.9
97.90859	5.1
105.07010	34.1
107.08593	38.2
109.10149	16.8
117.07048	11.0
119.08600	28.9
121.10145	31.8
123.11626	7.0
129.06972	7.4
131.08527	21.4
131.37604	5.3
133.10147	28.7
135.11662	30.7
137.09572	5.8
143.08565	13.9
145.10110	17.6
147.11665	29.4
147.55022	5.7
149.13239	12.1
151.11197	5.8
157.10146	14.9
159.11693	21.9
161.13257	21.8
163.14740	7.2
171.11670	14.8
173.13231	13.7
175.14859	13.9
185.13339	12.5
231.21123	9.9
241.19487	16.5
259.20569	53.0
333.24106	9.2
349.23807	7.4
351.25287	100.0
359.83459	5.5
363.25143	7.2
396.61163	6.1
477.28769	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	513.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	10.7
55.01850	10.4
55.05503	42.6
57.03437	24.9
61.02923	19.4
62.06933	9.5
67.05515	100.0
69.03423	21.1
69.07061	27.6
69.86049	54.2
73.02940	14.6
79.05499	61.2
80.79155	9.7
81.03425	23.3
81.07059	88.1
83.04997	9.9
83.08629	17.0
85.02900	31.7
85.06554	11.9
91.03959	22.7
91.05486	65.3
93.07047	80.4
95.04949	19.0
95.08598	44.8
97.02861	20.4
97.06541	15.8
97.10113	11.8
98.20767	11.7
105.07035	42.0
107.05002	8.0
107.08595	37.0
109.03988	10.0
109.10152	40.4
117.07023	23.0
119.08581	34.4
120.56783	8.7
121.10102	37.4
125.09616	13.2
129.05469	20.8
129.07069	10.3
131.08580	34.4
133.10098	43.1
135.11694	31.0
139.03889	10.1
143.08595	12.0
145.10126	29.2
147.11667	41.8
149.13300	22.2
157.08755	9.4
159.11696	33.6
161.13225	21.6
171.11665	20.7
171.87503	9.7
173.11781	13.8
173.13275	18.0
199.14807	10.4
229.14276	19.2
241.19434	28.7
259.20660	38.6
297.16751	10.8
351.25232	93.6
423.27255	16.3
458.94522	12.8
498.92978	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	513.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	11.0
55.05500	28.2
56.02593	9.6
57.03416	15.5
57.07052	9.7
61.02925	21.6
67.05504	98.0
69.03407	10.2
69.07056	20.6
71.58453	9.1
71.58858	14.6
79.05495	71.7
81.03403	15.3
81.07059	98.5
83.08604	24.0
85.02869	21.5
91.03960	9.6
91.05489	46.8
93.07044	73.8
95.04973	17.3
95.08597	32.0
97.02884	16.0
97.06481	12.3
97.10205	12.7
105.07034	48.5
107.08589	50.0
109.06516	9.8
109.10139	42.0
111.08089	11.2
117.07024	11.5
119.08553	56.6
121.10112	33.7
123.07996	11.1
125.09589	11.1
129.05478	12.5
129.06943	16.5
131.08548	28.2
133.10135	34.0
135.11690	38.3
143.08594	11.2
145.10130	36.1
147.11693	45.3
149.13249	30.7
157.10248	8.7
159.11627	10.8
161.13286	30.8
169.10210	10.5
173.11819	14.4
173.13226	16.9
175.14848	14.5
179.07024	16.3
185.13213	10.6
197.08092	13.8
198.00642	9.6
229.14270	10.9
240.01863	9.3
241.19626	22.0
259.20496	44.2
267.15848	15.8
285.17111	13.5
351.25403	100.0
358.80927	10.2
363.02820	9.5
371.60483	8.5
513.35016	18.6
534.51520	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	513.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
60.46608	3.0
69.03432	4.8
71.58841	5.2
79.05479	5.0
81.07056	4.6
85.02961	3.4
91.05473	13.3
93.07040	3.9
95.04975	3.0
97.36646	3.0
103.05507	4.8
105.07024	6.3
105.25500	3.6
107.04948	8.9
119.04930	8.9
119.08536	3.5
121.06490	7.8
123.04419	5.6
125.05988	14.1
131.04912	26.4
132.05734	27.5
133.02864	7.5
133.06488	7.8
135.04407	70.2
137.05960	11.6
147.04398	28.1
149.02379	5.2
149.05977	12.2
151.03893	30.6
159.04405	7.2
160.05219	16.3
161.06026	15.1
164.04689	12.0
165.05565	17.8
165.06833	5.0
167.07043	9.0
177.05431	17.7
178.06284	10.4
179.07018	39.9
180.07834	35.3
187.03938	3.5
191.07040	22.8
192.07803	100.0
193.08548	11.5
195.08058	3.8
211.07506	4.3
241.08714	3.9
257.08157	9.9
269.08109	3.5
281.08127	7.4
285.07602	9.8
301.10675	59.5
313.10767	4.6
325.10666	4.7
331.11786	28.5
353.10144	24.6
513.26379	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	513.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	0.3
55.01872	0.5
55.05502	0.3
57.51183	0.2
64.34870	0.3
65.03934	1.3
67.05497	0.7
68.99792	0.8
69.03419	0.7
70.06590	0.6
70.73260	1.0
77.25741	0.3
78.04696	0.6
79.05479	0.7
81.03400	0.6
81.07064	0.8
83.04991	0.7
85.02913	0.5
86.09688	0.4
91.05475	3.7
93.03410	0.7
93.07019	0.5
95.04960	1.0
95.08624	0.3
97.02904	0.7
103.05464	0.4
105.07018	1.0
107.04960	0.4
107.08585	0.3
109.10169	0.3
111.04434	4.3
119.04948	4.0
119.08581	0.5
119.14599	0.3
121.02858	0.7
121.06493	0.5
123.04442	3.4
124.05235	0.4
131.04929	0.4
131.08577	0.5
133.06483	0.4
136.11290	0.3
137.05957	0.7
137.09535	0.3
139.03899	100.0
140.04213	0.6
144.96890	0.3
145.10121	0.4
147.04405	3.4
149.02382	0.8
149.06029	0.4
151.03911	2.5
152.04671	0.5
153.01796	0.3
153.05470	1.0
155.07022	0.5
159.04355	0.3
161.05971	0.8
163.03934	1.9
167.07042	18.6
173.09641	0.5
175.03896	5.5
177.05475	0.8
179.06981	0.5
181.04924	1.5
183.06535	0.3
187.03909	0.3
189.03186	0.3
193.05185	0.3
205.04897	1.5
205.54489	0.4
207.06517	9.8
209.04425	0.6
215.10631	0.4
253.08836	0.3
275.09253	0.5
281.08090	0.7
284.02924	0.3
289.07053	3.0
299.09140	0.4
309.07693	0.5
310.08408	0.6
313.10751	0.7
317.10126	0.3
323.73190	0.3
469.20737	0.5
477.15381	0.5
513.18671	1.4
513.26636	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
61.02927	2.7
67.05486	2.4
68.99799	4.7
70.27983	1.3
71.58128	2.6
79.05495	5.6
81.07032	2.4
85.02913	3.0
87.00798	1.7
88.11105	1.5
90.47845	1.6
91.05463	3.2
93.07070	1.9
95.04971	3.8
95.08614	1.9
97.28352	1.4
105.03369	1.8
105.07037	3.5
107.04954	6.3
121.06424	1.6
121.11073	1.4
125.25480	1.5
129.01846	5.7
129.06996	2.1
133.06490	13.3
135.04424	19.2
137.05992	4.3
153.05428	2.2
155.08485	1.7
157.06529	2.0
157.72581	1.3
159.04393	2.0
159.32495	1.5
160.05180	8.8
161.06004	16.9
165.05478	100.0
166.05875	1.5
173.05997	2.1
177.05487	4.0
178.06253	1.6
183.15137	1.5
185.05965	5.8
187.03969	1.8
189.05460	14.6
213.05475	2.4
215.07053	3.3
231.06538	26.5
243.06497	1.8
245.08112	3.0
249.07582	3.0
257.08194	4.2
335.07687	10.4
363.12183	2.1
367.11630	4.5
391.11676	6.1
409.12799	21.3
513.14063	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.01858	1.4
56.96566	7.2
57.03435	2.9
61.02919	3.4
69.03432	8.7
71.04976	2.2
73.02910	2.8
75.04462	0.8
79.85678	0.7
81.03395	3.8
82.82610	0.8
83.04983	1.3
84.96043	0.7
85.02905	22.3
86.03230	0.8
86.06043	0.8
87.04465	2.4
91.03982	1.2
91.05478	1.4
97.02893	10.3
98.03243	0.8
98.21542	1.1
98.97578	10.4
99.04460	1.9
100.99160	1.6
101.00875	2.4
101.06046	1.3
103.02457	1.6
109.02882	2.5
110.03960	0.8
110.97577	1.4
112.99113	4.0
113.00826	0.9
115.02434	3.5
116.98618	7.0
119.00181	0.8
119.01917	7.2
121.03503	1.5
121.06524	0.9
122.12511	0.7
127.03931	5.8
128.98610	2.6
129.03976	1.9
131.00194	9.1
131.01871	5.5
132.01971	0.7
133.03477	22.7
134.03687	0.8
134.99658	3.2
136.06178	1.2
137.02943	1.4
137.06004	1.1
140.00130	0.7
141.03987	1.1
143.00171	1.2
143.01886	5.1
145.01727	2.8
145.03552	4.8
145.04910	4.8
146.99628	2.8
147.05135	5.9
148.06554	2.3
149.01202	7.0
149.03009	1.0
149.05905	1.1
151.04474	4.6
153.04031	1.0
155.01924	7.1
156.02762	0.9
157.03470	5.9
158.99684	1.1
159.05054	11.6
161.01221	2.0
161.02971	6.1
161.05524	3.8
161.55594	0.8
163.02795	6.9
163.04378	1.6
163.07011	0.8
165.06047	1.5
167.07030	3.7
169.03375	1.2
170.06039	2.7
170.99564	0.9
171.05008	10.3
172.05109	0.7
173.01273	2.7
173.02972	10.6
175.02821	1.5
175.04530	4.6
177.00722	1.9
177.06055	5.5
177.48955	0.7
178.04933	3.6
178.06282	0.8
179.01979	2.1
181.03816	3.0
183.05083	6.0
185.02983	4.5
185.06618	2.9
187.02826	1.5
187.04529	2.3
189.00729	1.8
189.02388	0.8
189.06110	3.1
191.02304	3.0
193.03781	1.4
195.07162	5.4
197.02957	6.6
197.06662	1.3
199.04549	1.2
201.00768	0.8
201.04337	1.1
201.06117	3.5
203.04027	2.9
203.07649	0.7
205.03873	2.0
205.05579	0.9
209.08076	2.1
211.04498	3.2
213.06085	1.6
217.05623	0.9
218.06403	1.3
219.01761	7.5
219.05095	1.5
219.07155	23.6
220.07233	1.2
221.03084	1.3
221.05066	14.6
221.07014	1.2
223.04884	2.5
225.06099	1.9
227.09171	4.2
229.09172	7.2
231.07156	23.6
232.07362	1.0
233.06754	0.9
233.08723	5.0
237.02838	12.1
239.06200	0.8
242.08266	1.1
243.07286	0.8
244.09750	1.9
245.05080	19.5
245.08737	3.2
247.04636	1.1
247.06877	0.9
255.04280	1.3
255.07147	8.1
259.06821	1.7
261.08191	4.5
263.06326	1.5
273.08212	8.6
274.09708	3.0
275.58148	0.9
281.05478	1.1
282.58981	0.8
283.07251	0.8
285.08243	1.1
289.07794	0.8
291.09219	3.0
293.05350	0.8
295.12366	2.5
307.06946	5.5
310.11826	5.6
310.61856	1.0
318.10709	0.9
321.10324	100.0
322.10434	6.9
323.10172	2.0
324.10779	1.0
325.08081	5.7
325.11725	1.2
333.11072	0.8
337.08020	7.1
338.08514	0.9
339.11438	8.5
340.11597	0.8
351.11310	1.9
352.11853	1.7
353.07666	0.8
355.09009	5.4
364.11658	0.8
367.09076	2.6
381.12286	0.8
385.09888	1.1
409.11850	0.9
470.17130	0.7
477.10806	1.9
481.08743	2.6
495.11606	8.9
513.12738	19.0
521.10449	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	1.5
58.99852	1.0
69.33903	9.0
79.19936	0.8
82.99870	2.7
87.29578	1.0
94.99867	1.4
97.02921	1.0
98.20753	2.0
98.97589	2.7
100.44491	1.0
101.00871	7.0
103.02454	5.9
110.97557	1.2
113.00855	2.0
116.98657	1.3
117.03992	2.4
119.01912	30.6
121.03493	3.5
127.02448	3.0
128.00233	2.0
128.98615	1.4
131.01906	11.8
133.03523	2.3
135.05043	3.0
137.02959	4.9
142.03445	1.7
143.01904	21.2
145.03531	24.6
146.01236	3.8
147.01375	7.2
149.02966	2.4
155.01865	14.7
157.03487	10.5
159.05023	2.3
161.02960	40.0
163.04681	5.5
164.02254	1.1
165.02446	2.7
167.01903	7.4
169.03474	4.1
170.99727	1.3
171.01389	11.6
171.05045	2.9
173.02959	29.3
175.04558	3.6
179.01949	3.0
181.03358	1.2
183.01358	1.8
184.04581	1.9
185.02948	40.9
187.04488	9.1
189.02458	26.9
189.05225	1.0
191.03966	1.5
196.04778	1.6
197.02971	16.9
199.04536	2.2
201.00749	2.9
201.02502	5.5
203.03972	13.8
203.05728	1.4
207.03139	16.6
208.04649	1.2
209.02861	1.4
212.04124	1.1
213.02434	4.5
215.03984	10.9
219.01677	1.3
221.05083	2.6
225.02228	1.6
227.04024	7.4
231.03471	86.5
232.03679	1.7
238.05167	1.1
243.03517	15.8
245.05060	100.0
246.05237	2.6
249.04500	16.5
255.03574	4.3
257.05057	8.5
261.04657	15.1
263.06107	14.3
272.06116	1.7
273.04388	3.6
275.06100	14.6
279.03394	1.2
291.05524	12.7
293.07190	5.6
305.07089	8.1
315.05527	4.0
333.06509	24.6
335.07974	1.5
351.07495	9.9
365.09216	4.6
397.11740	1.1
513.12610	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	512.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30697	0.9
55.05499	1.5
57.00811	0.9
57.07075	21.3
58.06586	1.6
67.05495	2.2
67.77853	0.9
68.52225	0.8
68.61704	0.8
69.07069	2.4
70.01440	1.0
70.06598	15.8
70.80048	1.9
71.08627	11.3
73.02914	1.9
81.07072	2.2
83.08612	3.0
85.10184	5.0
88.07088	1.6
88.07629	24.8
89.06054	1.1
95.08597	4.9
96.99728	0.8
97.10176	1.4
102.09184	19.2
102.83481	0.8
132.36111	0.9
138.03601	1.0
228.23253	4.9
256.26352	58.7
257.26886	1.3
274.27377	5.4
283.26315	62.4
284.26746	1.6
311.29559	5.3
359.60809	0.8
394.56418	1.0
512.50378	100.0
513.50714	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	512.5034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.3
57.07074	15.5
58.06598	1.3
67.05496	2.0
69.07069	1.6
70.06588	12.4
71.01810	2.7
71.08627	8.1
73.02901	1.4
74.96515	0.8
81.07055	1.9
82.50838	0.8
83.08622	2.0
85.10164	3.2
88.07629	19.1
89.06014	1.5
95.08595	2.4
97.10233	1.0
98.21442	1.0
100.68645	0.8
102.09167	12.5
105.84786	1.1
109.61735	1.0
228.23166	2.6
256.26334	43.8
257.26636	1.1
274.27417	3.6
283.26279	46.2
284.26535	1.1
311.29495	3.2
327.20087	1.1
512.50348	100.0
513.50629	2.8
524.36041	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90239	0.9
55.05495	0.9
56.05034	1.2
57.03428	1.5
57.07067	2.0
58.06596	1.7
60.07880	1.5
60.08162	15.1
67.05485	1.6
69.07066	1.5
70.06580	1.5
70.37602	1.4
70.38012	3.1
71.07359	6.0
71.08612	0.9
75.04467	1.3
78.95670	0.8
81.07053	1.1
83.08593	1.1
86.09707	39.6
88.07612	1.0
98.21442	0.8
98.98471	4.1
102.09155	1.5
104.10744	100.0
112.69822	0.9
125.00002	23.5
137.53218	0.9
145.09975	0.9
184.07343	63.1
256.26355	3.2
258.11032	1.4
283.26276	3.5
418.13358	1.3
449.29633	0.9
463.86542	0.9
494.32452	5.8
511.05292	1.0
512.33557	25.2
512.50195	7.7
527.05963	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.2
57.07079	57.6
58.06603	1.7
68.31196	1.2
69.07063	6.0
69.46428	12.1
70.06590	2.9
71.08633	42.6
73.06554	4.3
81.31892	1.2
83.04953	1.8
83.08613	2.6
85.10188	28.5
85.72044	1.2
87.04459	2.8
88.07628	4.6
89.06034	100.0
95.54379	1.4
97.10172	4.6
97.82544	1.4
99.11726	5.7
102.09200	3.5
107.07064	3.9
111.11723	4.4
113.13271	3.3
117.09125	5.3
122.34248	1.4
130.08664	2.9
131.07130	1.2
133.08604	74.0
146.65088	1.2
171.64946	1.2
177.11218	26.1
180.40726	1.2
221.13901	4.1
239.14937	4.4
256.26407	12.8
283.17645	3.0
283.26315	10.3
292.04889	1.6
301.27518	3.5
327.20166	22.3
363.97305	1.4
395.34048	1.4
451.36691	1.8
495.38995	9.8
512.50299	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	511.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.2
55.65761	1.4
57.07076	32.2
65.33094	1.5
66.13750	1.5
69.07063	1.8
69.76633	3.3
69.77017	10.2
71.08632	31.8
73.06559	8.8
81.07036	1.7
83.08607	4.0
85.10181	26.5
87.04470	8.1
89.06033	100.0
96.82742	1.6
97.10184	2.1
99.11730	2.5
105.07059	1.6
107.07056	3.9
117.09112	5.2
130.08647	4.0
133.08609	33.5
177.11238	7.7
204.60941	1.6
249.25772	1.5
311.82675	1.5
372.68991	1.8
404.49854	1.6
511.37225	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	7.4
57.07063	1.9
67.05511	12.4
69.07065	17.0
71.21912	2.9
79.05479	7.1
81.07053	32.7
83.08604	4.7
91.04929	2.8
91.05456	13.3
91.67255	1.7
93.07046	27.6
95.04942	2.3
95.08602	44.3
97.10133	4.9
98.50223	2.0
98.94688	1.8
105.07027	25.5
107.08595	34.5
109.06564	2.4
109.10152	24.9
117.07001	6.8
119.08581	38.2
119.09369	3.8
121.10144	29.6
123.11705	13.9
129.06992	3.2
131.08585	14.3
133.10127	26.9
135.04889	1.6
135.11687	24.0
137.13216	4.8
143.08565	8.2
145.10115	20.6
147.11688	22.9
149.13229	14.8
155.08575	2.1
157.10135	8.7
159.11702	22.6
161.13243	32.3
163.14833	25.4
169.10132	3.8
171.11673	12.7
173.13269	16.4
175.14838	24.2
177.09058	4.4
177.16362	7.6
183.11642	3.6
185.13219	10.0
187.14807	22.8
189.16321	13.0
197.13239	7.0
199.14806	7.0
201.16383	14.2
203.17934	8.0
211.14824	6.0
213.16351	7.6
213.18190	1.8
215.17973	26.0
217.19530	4.3
225.16444	2.8
227.17880	6.4
229.19473	20.1
231.21114	2.9
237.16431	1.8
239.17932	11.2
241.19499	20.4
243.21057	12.3
247.16925	5.7
251.17485	1.8
253.19527	6.8
255.21068	18.4
267.21103	14.0
269.22559	11.3
275.19995	3.3
281.22760	2.9
289.21548	3.2
295.24191	7.3
299.87625	1.9
301.21640	4.4
313.21600	2.6
315.23239	6.1
321.25955	2.2
327.23074	7.9
329.24768	3.1
387.82162	2.2
391.33585	37.3
401.31842	2.2
419.32846	8.0
431.29572	1.8
442.91736	2.3
444.54785	1.8
451.35718	100.0
452.36209	3.1
461.34079	2.5
479.35153	5.1
511.37833	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	511.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	11.7
55.01874	15.9
55.05510	37.2
56.96540	3.3
57.03432	25.3
57.07089	4.3
58.08556	2.6
61.02917	12.3
65.03942	6.9
67.05505	78.3
69.03428	47.5
69.07064	27.3
70.12591	14.6
71.04974	12.2
71.08624	6.2
73.02900	11.3
79.05488	59.8
80.37929	2.9
81.03419	69.7
81.07055	100.0
82.06577	3.4
83.04974	20.2
83.08615	17.8
85.02911	28.1
85.06529	8.0
88.11319	2.9
90.28433	2.9
91.03971	8.0
91.05481	61.5
93.07039	64.4
95.04968	26.8
95.08050	4.1
95.08604	45.9
97.02891	43.4
97.06539	16.7
97.10167	9.0
99.04454	12.6
100.11279	6.1
101.02333	4.8
103.03941	6.3
103.05445	4.4
105.07034	53.0
107.04956	13.5
107.08594	42.7
109.02878	14.9
109.06512	12.2
109.10146	33.3
111.04446	14.4
111.08083	10.1
113.05984	3.2
117.07030	21.9
119.08574	53.2
121.06487	9.6
121.10164	26.2
123.04382	5.1
123.08041	8.3
123.11718	9.8
124.23589	2.7
125.09645	8.7
127.03902	15.9
128.06169	4.2
129.05482	5.5
129.07021	14.1
130.07745	4.0
131.04922	4.4
131.08549	29.8
133.06474	4.2
133.10121	40.5
135.04427	2.8
135.08044	11.8
135.11690	14.1
137.05934	4.0
137.09622	7.0
139.03874	4.8
141.06975	3.5
143.08548	8.1
145.04929	4.3
145.06435	3.5
145.10129	29.0
147.08070	5.9
147.11670	30.1
149.09592	12.7
149.13268	11.8
151.11197	10.2
153.01869	3.5
155.08511	5.4
157.10110	13.4
159.11685	25.3
161.13257	8.2
163.03943	3.3
163.11200	8.0
165.12750	7.1
167.07108	5.2
169.10130	5.7
170.15427	13.2
171.11732	5.6
173.04492	15.0
173.09570	4.2
173.13232	9.5
175.11192	8.3
177.12727	5.2
177.36664	2.8
183.06519	4.5
183.11591	3.8
187.11116	4.9
189.12747	3.5
193.12234	8.7
195.13721	4.8
197.13269	6.9
198.14891	7.6
199.14819	3.5
201.12776	3.5
205.12256	3.5
211.13263	6.1
227.12790	3.4
229.14261	4.7
229.19499	4.7
239.17964	7.1
247.20631	9.7
257.04416	15.1
257.19034	13.5
267.15964	5.3
269.17563	4.2
275.20050	59.3
287.05539	8.5
293.21005	5.8
302.62204	3.4
314.28061	5.8
349.23755	45.1
391.24695	4.3
413.21573	13.2
424.31830	5.1
439.26352	3.8
479.09604	4.7
493.27869	6.0
511.12326	7.1
511.29007	25.6
511.42017	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	511.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	13.1
55.01876	25.7
55.05508	35.3
57.03437	20.5
57.07088	3.6
61.02932	36.4
64.69701	3.2
65.03954	5.1
67.05173	5.6
67.05508	87.5
69.03430	22.7
69.07069	41.8
71.04991	15.2
73.02911	18.5
79.05495	63.4
80.09590	3.1
81.03415	50.3
81.07059	100.0
83.04984	24.1
83.08610	18.3
85.02905	41.7
85.06552	6.4
87.04496	3.8
91.03947	19.0
91.05486	87.2
92.92779	3.0
93.07050	52.0
95.01331	9.5
95.04960	28.3
95.08608	48.2
97.02902	33.0
97.06532	39.7
97.10168	7.7
98.07314	3.3
99.04444	7.3
101.02383	11.2
103.05459	3.9
105.07037	92.5
107.04956	18.9
107.08608	28.8
109.02883	10.6
109.06537	7.4
109.10152	22.5
111.04484	4.1
111.08085	9.8
115.03911	4.1
115.05496	3.1
117.07024	19.7
119.08588	55.5
121.06510	9.8
121.10139	21.2
123.04397	4.1
123.08078	10.7
123.11722	9.6
125.09669	5.7
127.03920	11.9
129.05470	3.6
129.06987	9.1
131.08568	32.4
133.10132	57.8
135.08090	7.9
135.11694	14.2
137.09674	4.9
139.03918	4.6
139.07523	4.6
141.06897	4.0
143.08540	7.2
145.04973	7.6
145.06480	4.0
145.10121	22.2
147.11716	30.1
149.09616	15.0
149.13269	9.0
151.11115	7.8
155.08585	3.6
157.10147	8.6
159.11745	17.3
161.13278	8.2
163.11230	6.4
165.12790	5.4
173.11827	4.5
173.13272	5.9
175.11185	8.7
177.12782	9.4
179.14290	20.0
181.12267	4.3
187.11226	6.7
187.14725	4.6
193.12239	14.8
197.13226	4.1
211.13268	11.2
239.17975	4.7
241.14410	4.7
247.20593	5.8
257.19077	9.7
267.15799	4.9
268.88031	3.1
275.20074	94.2
293.21130	5.2
301.31628	3.3
340.15424	4.1
349.23767	32.0
350.78171	3.6
377.22934	4.4
400.61456	3.3
401.23529	3.6
453.13925	3.4
467.30264	3.6
511.32095	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	511.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.0
55.01866	12.6
55.05505	25.0
57.03428	11.8
61.02928	36.6
64.41330	4.9
67.05508	50.6
69.03412	21.5
69.07060	40.2
70.04419	24.0
71.04986	10.0
73.02913	15.0
79.05490	44.9
81.03396	32.5
81.07056	84.2
83.04996	9.1
83.08616	13.5
85.02895	36.7
91.03950	20.0
91.05483	67.3
93.07045	36.0
95.01348	8.9
95.04961	13.2
95.08604	39.3
97.02888	27.8
97.06526	27.2
99.04429	5.5
101.02410	6.1
105.07030	73.5
107.04952	16.8
107.08558	22.6
109.02881	12.5
109.06514	8.3
109.10137	13.9
111.04433	4.9
111.08074	5.2
112.27961	5.7
114.17174	5.5
117.06990	22.0
119.08588	53.2
121.06517	5.9
121.10146	18.4
121.35010	4.3
122.73508	5.2
123.08083	6.1
127.03918	17.8
129.06996	5.8
131.08542	35.3
133.10121	50.1
135.08002	4.7
135.11687	8.3
143.08571	5.8
145.06537	5.3
145.10121	21.0
147.11691	24.5
149.09636	8.5
157.10184	6.0
159.11699	17.3
161.13272	5.6
166.07745	4.6
177.12724	6.4
179.14279	15.3
187.14859	5.4
193.12321	5.0
239.17805	5.7
240.95227	4.6
257.19019	10.6
265.82208	4.8
275.20062	100.0
337.41312	4.2
349.23730	42.9
511.28244	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	511.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.8
55.01861	12.9
55.05497	21.1
57.03435	16.8
61.02930	40.0
67.05507	61.2
69.03426	22.9
69.07066	33.5
69.34679	45.9
71.04988	15.9
73.02933	21.7
73.39742	4.2
79.05492	58.2
81.03423	27.6
81.07059	70.9
83.04974	15.6
83.08616	10.2
85.02908	34.7
85.06529	4.9
90.13535	4.8
91.03961	24.7
91.05482	67.2
92.26528	4.1
93.07052	46.6
95.04951	15.5
95.08603	37.0
97.02885	27.8
97.06518	14.8
97.10168	9.8
99.04443	9.0
101.02357	8.0
105.06387	7.8
105.07031	86.0
107.04932	11.6
107.08607	28.8
109.02883	7.8
109.10147	16.8
111.08015	5.2
117.07010	19.7
119.08582	54.4
121.10127	17.1
123.08061	9.5
123.11695	8.8
125.09600	7.0
127.03920	12.0
129.06987	5.9
131.08585	36.5
133.10133	54.7
135.08029	5.5
135.11636	10.4
137.09691	4.4
143.08554	7.4
145.10147	26.1
146.80214	4.2
147.11705	35.5
149.09610	14.4
149.13257	7.0
151.11143	8.6
157.10106	7.0
159.11702	15.1
161.13185	8.1
163.11165	6.7
165.12787	5.2
167.16559	5.5
169.10132	7.6
173.13263	6.6
175.11183	5.8
177.12675	6.0
179.14290	9.2
181.04927	15.2
183.11801	6.9
211.13283	13.2
229.94395	4.6
239.17892	12.1
257.19006	7.1
275.20062	100.0
312.96664	4.4
349.23798	39.3
350.15884	5.0
511.33582	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	511.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	14.4
55.01864	17.0
55.05510	43.8
56.96558	5.8
57.03179	4.5
57.03439	33.5
57.07096	7.0
61.02913	22.5
65.03929	5.6
67.05511	75.0
68.99789	16.8
69.03425	35.6
69.07072	30.3
69.24972	26.2
69.25405	34.0
71.04974	12.5
73.02908	14.6
79.05489	68.4
81.03421	53.1
81.07056	100.0
83.04988	17.1
83.08606	25.9
85.02905	32.9
85.06567	9.1
91.03976	12.7
91.05482	92.8
93.07050	82.7
95.04974	35.2
95.08601	45.3
97.02894	32.9
97.06522	17.1
97.10174	5.0
99.04454	7.5
99.08063	10.3
105.07033	85.2
107.04956	15.9
107.08568	43.5
109.02901	5.2
109.06528	20.3
109.10168	30.6
111.04471	10.0
111.08058	11.9
112.76476	5.1
117.07007	34.6
119.04950	6.6
119.08582	57.2
121.06534	8.7
121.10158	30.3
123.04430	6.9
123.08068	10.3
123.11740	7.0
125.05956	5.4
125.09588	8.3
127.03931	13.5
128.06253	9.7
129.05467	5.2
129.06995	17.4
131.05025	5.5
131.08568	45.4
133.02858	7.4
133.06479	8.4
133.10147	32.4
135.04424	16.6
135.08070	14.4
135.11694	15.9
137.02370	19.2
137.05977	6.9
137.09633	7.9
139.00262	12.2
139.03893	8.7
142.07811	6.8
143.08594	18.3
145.10156	28.1
147.08031	6.7
147.11647	30.3
149.09621	16.5
149.13246	6.7
153.05487	11.4
153.12708	5.4
155.08566	12.7
157.10136	21.3
159.11685	31.5
161.09612	6.7
161.13266	6.7
163.03973	8.4
163.11206	11.6
165.05591	6.1
165.09161	4.9
167.06964	13.0
169.10155	12.3
171.11670	11.1
173.13280	21.5
175.11165	9.5
181.04930	5.8
185.13284	10.0
191.07062	8.3
192.07849	6.2
193.12262	10.5
197.13231	8.6
203.14270	8.9
209.11630	5.5
211.13293	14.5
212.80573	5.2
227.12724	7.6
229.19597	7.0
239.17924	10.7
257.10703	4.9
257.19086	34.0
269.10712	11.5
273.03894	43.6
275.11670	5.3
275.20132	39.8
283.06381	10.3
283.15485	9.3
287.11551	6.9
301.03424	44.6
301.06949	9.3
301.13202	12.0
302.04141	14.1
303.04880	17.2
331.22778	5.4
349.23682	47.1
479.23248	10.1
493.11377	18.4
493.26447	5.6
511.12180	25.8
511.29504	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
55.05494	1.7
64.79693	0.9
66.04712	1.5
67.05489	1.2
68.99784	1.1
69.03426	2.5
70.04713	5.2
72.35136	0.9
79.01865	1.9
79.05497	2.2
81.03426	5.0
81.07045	2.2
85.02904	3.0
91.05486	8.4
93.07039	1.6
93.46503	0.9
94.04183	4.6
95.04951	3.3
97.02901	3.9
99.04427	1.5
99.89059	1.0
100.11256	1.8
101.02349	1.7
103.05482	4.7
105.07027	2.1
107.04966	2.1
109.02888	2.3
109.06496	3.4
113.05948	1.1
115.05437	1.4
119.04912	5.1
119.08563	1.5
121.06530	1.7
122.03656	9.0
123.04424	2.7
124.63473	0.8
125.02342	2.2
127.03868	5.4
128.06151	1.7
129.07022	2.3
131.04935	4.7
133.06477	2.9
135.08054	4.4
137.05972	100.0
138.06279	1.4
143.03392	3.8
143.08537	1.3
145.06476	1.9
147.04398	1.1
147.08038	1.0
147.69359	1.1
149.05946	2.3
151.07542	27.2
152.06349	1.0
153.01825	54.6
153.06984	1.0
154.02232	1.0
159.08075	1.4
161.05954	3.9
161.07156	0.9
161.93144	1.0
163.07530	11.8
165.07011	3.3
165.09183	1.1
167.08514	2.7
171.02887	6.0
171.08098	2.4
174.06769	2.2
175.07503	2.9
177.09117	1.2
179.07086	9.1
181.06389	1.8
182.07312	1.6
187.07561	1.7
187.11084	1.0
188.08380	1.4
189.09018	4.4
193.06523	2.0
195.07935	4.8
196.08876	1.1
197.08063	12.2
197.09558	0.9
201.09035	1.4
203.10623	5.3
207.08098	1.2
210.06775	1.9
215.10556	1.3
221.05959	5.2
221.07912	2.0
223.07521	1.6
224.08385	1.9
225.09157	2.4
227.07198	1.3
227.10687	5.0
228.16788	2.1
233.11771	1.4
235.07732	1.3
237.08984	1.1
245.11867	1.7
252.08063	1.4
253.08583	5.4
255.10126	4.9
263.12875	1.2
267.10138	4.2
285.11203	10.1
287.12787	11.0
297.06039	4.5
313.14462	1.9
315.07162	1.6
319.13480	1.3
326.71964	1.0
351.15884	3.7
415.19070	1.3
430.21210	0.9
443.18509	1.5
455.51157	1.0
475.20694	1.2
511.24890	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.2
54.49434	1.3
55.01855	2.9
57.03416	1.8
62.88987	1.0
67.05508	1.7
67.34256	1.2
68.99775	1.6
69.03426	8.8
69.38298	11.3
70.06582	1.1
79.05480	1.9
81.03420	6.0
81.07041	2.6
85.02908	13.6
87.00820	4.9
87.04493	1.2
91.05477	3.8
93.07016	2.7
95.04947	1.2
97.02882	9.5
97.06520	2.4
99.04438	2.7
105.01858	3.4
105.07034	2.2
107.04926	1.5
107.08563	5.0
109.02863	9.7
109.06490	1.7
111.04451	3.0
117.07023	1.5
119.08585	6.7
121.06490	2.7
123.04449	1.8
123.08054	1.7
127.03914	9.7
127.13806	1.0
129.01930	1.1
129.06992	2.6
131.08568	3.3
135.08047	100.0
136.08400	1.8
137.06007	1.7
141.06967	1.9
143.08594	2.9
144.09351	1.8
145.04941	3.2
145.06435	1.5
145.10098	2.1
147.08031	3.0
151.07535	1.8
155.08383	1.3
156.09344	3.9
157.06477	1.7
157.10129	2.7
158.07321	1.7
159.02917	2.4
159.08070	5.6
159.11699	9.7
161.09554	2.0
165.06989	1.2
165.09111	3.2
165.11580	1.1
168.06557	1.3
169.06387	1.5
169.10124	1.9
170.87498	1.2
171.11697	3.5
172.08804	8.0
173.09650	10.7
175.07594	1.6
181.10188	1.4
185.09656	2.7
187.11189	37.1
188.08221	1.4
199.07568	1.1
199.11252	5.3
202.09898	1.5
203.10655	11.2
215.10677	30.4
217.12247	5.7
227.10712	5.3
233.11713	42.1
245.11734	41.4
263.10156	2.0
263.12775	23.1
326.10223	1.3
452.63861	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.3
53.03940	0.4
55.01870	1.4
55.05514	1.5
57.03423	0.6
65.03933	1.4
67.01848	0.3
67.05510	3.3
68.99789	1.6
69.03409	0.7
69.07055	0.9
70.06203	1.3
71.04995	0.4
75.36209	0.3
79.05497	2.7
81.03438	1.7
81.07055	2.8
83.04982	1.8
83.08620	0.7
85.02891	0.7
85.06557	0.3
91.05482	2.5
93.03409	1.0
93.07035	2.0
95.04958	1.9
95.08595	1.1
97.02875	0.7
97.06505	0.6
97.10156	0.7
103.05444	0.4
105.07021	1.6
107.04939	1.1
107.08592	1.2
109.02901	0.3
109.06495	0.3
109.10161	1.1
111.04446	5.4
111.08081	0.6
117.06949	0.6
119.05021	0.4
119.08582	1.5
121.06499	0.5
121.10163	1.3
123.04424	21.0
123.11738	0.5
124.04784	0.3
125.09632	0.4
127.03918	0.5
129.07028	0.7
131.04900	0.6
131.08562	1.0
132.05615	0.2
133.06444	0.5
133.10106	0.8
135.04385	1.0
135.08170	0.3
135.11661	0.4
137.06017	0.4
139.03897	100.0
140.04259	0.6
145.10106	0.6
147.04398	2.2
147.08017	0.3
147.11681	1.0
149.05989	0.4
149.09628	0.5
151.03885	2.4
153.01808	0.6
153.09178	0.3
155.05107	0.3
157.10170	0.7
161.05980	0.7
162.06764	0.7
163.03897	2.1
163.07558	0.7
163.11185	0.3
167.07027	0.8
173.05986	0.4
173.13281	0.3
175.03947	1.1
175.11101	0.5
176.04623	0.3
177.05420	0.5
178.06271	1.1
181.04948	0.5
181.08569	0.3
181.12247	0.4
189.05444	0.9
190.06229	3.1
191.03444	1.0
191.06834	0.4
191.10591	0.4
193.08601	2.5
193.12239	0.8
206.05806	1.1
209.11734	0.4
209.21986	0.3
210.02054	0.3
211.13281	0.9
217.04869	0.3
221.08073	14.3
227.12807	0.5
255.06534	0.4
273.03995	0.8
273.07581	2.8
275.20111	0.6
287.05954	0.3
341.10306	0.4
371.16312	0.3
382.09885	0.3
383.22330	0.3
465.15906	0.4
465.23792	0.5
493.15182	0.4
493.27768	0.3
511.12537	1.1
511.28848	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.3
55.01863	1.0
55.05506	1.1
57.03398	0.3
61.02896	0.3
65.03937	1.6
67.05505	2.0
68.99783	1.7
69.03413	0.5
69.07063	0.6
70.76778	0.8
79.01857	0.3
79.05488	1.6
81.03408	1.2
81.07060	1.8
82.81123	0.3
83.04981	1.6
85.02901	0.7
91.05477	1.4
93.03395	0.8
93.07042	1.4
94.10533	0.3
95.04970	1.2
95.08601	0.6
97.02887	0.5
105.03432	0.5
105.07018	1.1
107.04966	0.7
107.08579	0.6
109.02859	0.3
111.00824	0.3
111.04440	5.6
111.08099	0.4
113.06022	0.3
117.06995	0.4
119.04937	0.5
119.08570	1.0
121.06480	0.5
121.10160	0.6
123.04427	20.7
131.04947	0.5
131.08577	0.7
133.06447	0.5
135.04402	0.7
139.03900	100.0
140.04324	0.4
141.06912	0.3
147.04388	2.7
147.11696	0.4
149.05997	0.5
151.03920	2.5
157.10248	0.4
160.05176	0.4
161.05978	0.9
162.06789	1.2
163.03911	1.7
163.07573	0.4
163.11256	0.4
167.07101	0.4
173.05954	0.6
175.03900	1.0
177.05487	0.6
178.06253	1.3
189.05515	0.8
190.06247	4.1
191.03400	1.2
191.07008	0.4
193.08614	2.7
193.12221	0.6
199.13269	0.4
205.11949	0.3
206.05769	1.4
211.13359	0.7
221.05894	0.7
221.08081	14.8
273.04471	0.4
273.07568	2.7
339.08279	0.4
427.78467	0.4
511.28699	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82603	24.2
57.07047	33.8
70.64091	100.0
89.06013	92.2
98.21465	33.5
116.06158	30.1
123.45067	33.6
126.39944	27.4
133.08588	68.1
142.44826	30.8
151.95062	32.0
156.83937	24.7
175.36513	28.7
188.73856	35.3
203.33871	30.9
234.68954	29.7
272.03168	29.4
277.77469	27.0
283.63541	30.9
295.61575	32.9
404.22690	33.5
483.56973	30.5
510.43243	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1447
Annotation	Mallophenol A
Peak:m/z	Relative Intensity
53.03943	2.0
55.05503	2.9
55.56266	1.5
67.05492	4.3
69.03418	2.5
69.07053	2.9
69.95038	8.1
71.05020	1.3
79.01852	5.1
79.05513	3.3
81.03414	10.5
81.07052	2.9
83.05003	1.5
85.02895	4.0
91.05476	4.4
93.07029	4.0
95.04941	3.8
95.08593	2.7
97.02901	6.6
105.07066	1.6
107.01270	2.0
109.02859	3.8
109.06508	5.4
111.08089	2.6
119.08560	1.6
122.03606	1.9
123.04416	3.6
125.02345	3.3
127.03870	7.4
133.02080	1.4
133.06470	1.8
136.43275	1.3
137.05980	22.4
139.03969	2.3
143.03383	5.2
145.05028	1.6
147.04503	1.8
151.07536	14.7
153.01826	100.0
161.05991	1.9
163.07516	1.9
171.02858	12.7
175.07553	1.9
179.07027	14.5
189.09042	1.6
193.12291	1.8
195.08128	1.9
197.08075	22.7
199.11565	1.5
203.07076	2.0
211.13272	2.4
217.08406	1.5
221.07990	1.5
227.16426	1.8
228.16769	1.8
239.09090	2.5
285.11224	2.8
287.09448	1.5
297.06088	7.9
315.07108	4.4
335.42249	1.4
511.28885	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21111	0.9
55.01863	1.3
55.05503	1.3
65.03931	2.5
67.05494	2.1
71.57854	1.3
71.58284	1.5
79.05478	5.0
81.03413	2.7
81.07032	1.6
82.04184	1.0
84.94994	0.9
91.05472	2.6
93.03426	1.0
93.07008	1.0
94.01733	1.0
95.04955	1.5
95.08586	1.3
100.11253	1.8
103.05461	5.9
104.06207	2.2
105.07034	1.4
107.04948	3.9
107.08570	0.9
109.02844	1.4
110.03652	3.2
111.04410	1.5
119.08595	1.4
121.06506	1.3
125.05998	2.2
131.04922	14.4
132.05708	12.7
133.06505	1.5
137.02332	27.3
137.06012	1.5
138.03120	17.5
139.03862	1.1
147.04405	2.9
148.05200	2.1
149.02405	1.4
149.05986	2.0
151.03922	1.2
153.05461	100.0
160.05170	7.6
161.05989	2.7
162.03075	1.9
163.03860	2.8
163.07545	3.5
165.05414	1.6
167.07042	8.2
176.04721	1.7
177.05479	15.8
179.07014	2.6
180.07787	4.7
181.06398	1.0
183.45067	0.9
187.03806	1.0
190.06291	1.4
191.05240	0.8
191.05525	0.5
191.07016	26.6
192.07808	57.4
193.08568	1.4
196.05116	1.2
197.05942	1.0
209.08176	1.6
213.05371	1.7
215.07036	1.6
217.29149	1.0
223.07600	1.0
225.05324	1.1
227.07062	2.0
241.04887	1.2
253.04800	2.0
255.06572	1.2
273.07648	1.7
283.05951	1.8
285.04477	1.0
285.07532	4.5
297.07626	1.4
301.07047	12.6
311.09323	1.4
311.22980	1.1
313.10709	2.0
317.10242	3.6
327.08722	1.4
329.10257	8.8
347.11139	1.3
375.12140	1.5
458.13562	1.1
461.12225	2.2
493.14990	2.1
511.42172	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.7
56.05032	0.8
56.80667	0.5
57.07061	2.3
58.06607	2.1
58.73798	0.5
60.08164	18.0
67.05492	1.7
69.07085	1.1
69.38696	3.0
69.39123	2.5
71.07381	6.2
71.08621	1.8
81.07040	1.3
83.08636	0.8
85.10184	1.1
86.09707	49.7
87.55489	0.5
95.08621	1.1
97.10136	0.7
98.98482	3.5
102.83970	0.5
104.10746	100.0
109.10098	0.7
125.00008	28.2
143.01163	0.7
146.31616	0.5
163.01541	0.6
184.07341	97.2
258.11096	1.2
267.71454	0.6
327.29056	1.7
388.95517	0.6
465.67059	0.6
492.34583	8.7
510.35544	25.2
531.97943	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65260	8.5
57.07088	41.2
58.22223	7.4
62.80843	8.4
66.76580	7.5
67.05488	10.8
69.07061	12.7
69.25771	100.0
71.08626	25.6
77.51080	8.8
81.03395	7.4
81.07050	24.4
83.08611	18.2
85.02872	14.1
85.10173	31.3
89.05977	8.2
95.08591	30.4
97.10181	9.7
109.10114	17.2
115.72996	8.5
125.09526	7.5
134.91205	7.0
185.87952	8.0
239.23677	25.5
294.04535	8.8
313.27286	54.0
319.56369	9.1
354.45932	7.7
383.27686	15.7
391.27777	8.1
401.29132	15.7
403.97690	8.5
408.48529	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	510.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37546	3.6
57.68296	4.1
67.05511	7.9
69.03431	10.7
69.07058	11.0
69.71467	25.7
70.06580	6.8
79.05504	12.2
80.31371	3.3
81.03465	4.2
81.07062	100.0
85.02912	43.1
86.09725	3.3
91.05472	6.3
93.46012	3.2
95.01333	5.8
95.08605	20.0
97.02900	9.3
98.21466	7.2
103.05489	4.1
109.02892	8.0
123.04416	11.5
127.03907	11.9
129.07104	3.8
129.76534	3.7
131.04971	5.1
133.06447	4.7
137.06013	24.5
137.13257	21.4
139.03862	3.7
140.07100	6.7
141.01846	28.3
145.04965	18.9
147.04402	4.9
149.05962	3.9
151.03896	11.3
159.02879	5.1
163.06015	13.2
167.07013	6.9
221.11766	4.5
287.05402	5.5
339.87228	4.1
510.22650	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	510.3549
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05508	1.0
56.05033	1.4
57.07061	2.8
58.06601	0.9
60.07883	1.0
60.08164	15.5
67.05492	1.9
69.07058	0.9
69.11352	0.6
71.07370	5.5
71.08640	1.9
79.57447	0.6
80.91360	0.6
81.07052	0.8
85.10188	1.0
86.09702	45.6
93.07093	0.7
95.08595	1.1
98.98457	3.3
104.10742	97.9
105.07053	0.8
119.08606	0.6
120.91872	0.6
125.00002	25.6
131.08560	0.8
155.08354	0.8
184.07336	100.0
211.15042	0.6
233.25743	0.6
237.06610	0.7
258.11029	1.6
327.28995	2.1
436.32721	0.7
492.34387	10.2
510.35638	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	510.167
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	1.2
69.03422	2.1
69.51663	8.4
73.73957	0.8
79.28949	0.9
81.03395	1.3
82.06570	15.4
84.08157	2.7
85.02895	3.9
92.18642	1.1
97.02892	3.1
98.97579	1.0
100.07612	56.3
101.00890	2.1
109.02942	1.1
119.01920	8.7
127.03882	1.6
131.00179	1.5
131.01913	2.8
133.03423	1.6
137.02888	1.4
143.01886	5.8
145.03452	3.8
145.04843	1.0
146.08138	1.1
155.01897	3.8
157.03464	2.8
158.06474	1.0
161.02980	7.0
164.05551	2.4
167.01898	1.0
171.05011	1.8
173.02939	6.2
178.04944	2.3
182.06645	6.0
185.02966	11.8
186.03186	1.0
186.06117	2.0
193.72256	1.1
197.02950	4.5
202.05376	1.2
203.04045	2.6
204.07153	2.4
210.06056	2.7
215.04030	2.7
219.07112	1.0
221.05051	1.4
222.08092	1.4
227.03989	1.3
228.07153	76.0
229.07401	1.2
231.07161	1.4
240.07184	10.0
245.05067	25.5
246.08231	100.0
247.04893	1.2
247.08424	1.4
251.08759	1.1
257.05020	1.2
258.08231	12.1
259.07751	2.0
263.06192	2.4
264.09326	18.5
269.09842	3.9
270.08231	1.7
275.06116	3.9
276.09302	3.5
288.09305	14.8
300.09506	1.3
305.07507	1.5
318.10397	3.9
321.10315	3.2
323.10278	2.2
330.10330	3.1
348.11316	2.9
355.09244	1.6
408.16562	1.1
426.10083	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27719	1.9
56.05029	3.3
60.05642	6.3
69.00908	3.3
70.06600	9.6
70.48410	6.3
83.06109	16.9
85.02928	2.1
86.03568	3.8
93.62305	1.7
97.07674	10.0
105.03352	3.6
115.08723	4.9
119.52875	1.8
120.04467	11.6
123.04330	2.1
132.04407	5.0
134.06029	5.9
137.06012	2.0
141.06624	6.8
143.09579	1.9
158.06012	2.1
163.02269	1.9
206.12753	2.5
208.06010	2.0
216.11319	100.0
217.11632	2.2
232.10915	2.3
234.12367	43.1
235.12668	2.4
260.10349	13.9
278.11285	2.9
288.13297	3.1
319.17609	5.4
363.12082	4.2
363.16620	86.0
389.14569	3.8
471.26440	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	5.1
57.07076	66.8
67.05483	2.2
69.07066	9.8
70.15972	7.3
71.08632	55.6
73.06552	4.2
82.82894	1.9
83.08615	3.6
85.10182	35.8
87.04444	6.2
89.06031	100.0
97.10173	3.1
98.20795	2.6
99.11715	5.2
107.07053	6.1
111.11733	4.0
113.13269	3.9
119.08594	2.2
125.13264	3.2
127.14825	2.7
130.08635	3.6
133.08600	57.0
141.10402	2.0
177.11183	15.2
192.95828	1.9
201.21843	1.9
327.20270	3.1
509.36371	4.7
511.87167	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45259	3.5
53.03933	7.1
55.01872	10.2
55.05520	21.8
57.03431	12.1
65.03940	5.9
67.05502	30.5
68.05818	4.4
69.03417	12.1
69.07060	7.0
69.26044	47.1
71.04995	11.0
73.02879	5.1
79.05497	35.3
79.98981	3.5
80.05820	4.6
81.03424	19.4
81.07056	36.1
82.07384	7.8
83.04994	5.7
83.08618	8.1
85.02899	30.9
87.00841	8.9
91.05480	100.0
93.07051	35.3
94.07361	9.3
95.04975	30.4
95.08621	9.6
95.60928	3.4
95.93368	3.7
96.05299	7.3
96.08949	6.0
97.02916	28.9
97.06554	7.0
97.10176	13.6
99.04433	7.7
103.21830	3.9
105.01878	9.9
105.07058	11.1
107.04962	15.9
107.08595	13.8
109.02871	14.7
109.06504	18.2
109.10145	8.0
110.06779	4.1
111.08059	4.6
111.14692	4.0
117.07005	5.1
119.08584	9.4
121.06499	13.7
121.10144	12.8
122.06841	4.3
122.10458	4.5
123.04387	4.8
123.08078	5.2
123.11780	4.3
125.05997	5.0
125.09561	8.0
127.03914	24.8
129.06999	6.7
131.04906	4.2
131.08562	11.6
132.08885	8.8
133.10135	4.8
135.08012	6.6
135.11742	4.9
137.05873	4.1
139.03864	11.3
145.04951	16.8
145.10110	4.6
146.06918	4.6
147.08070	7.6
149.09518	4.7
153.05501	7.1
159.02853	7.9
159.11748	3.7
163.11176	6.5
163.79001	3.9
167.07056	4.6
167.10640	5.4
168.58914	3.7
186.55225	3.9
189.11154	5.1
192.07729	5.1
199.13297	7.9
217.14354	3.9
219.13780	8.5
220.14227	5.4
235.84123	3.9
251.06963	6.1
293.17413	7.9
295.05814	6.3
296.06573	6.8
349.21625	4.7
350.21918	5.9
368.23041	12.1
370.85236	3.8
385.23883	6.5
386.23972	10.6
392.18231	3.7
425.01294	3.9
460.27719	10.6
478.29437	6.2
491.30551	5.1
492.30292	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	509.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	6.4
55.05498	14.2
57.07076	52.1
67.05506	68.4
69.07070	21.4
69.42422	4.0
71.04999	5.5
71.08633	33.5
79.05473	10.3
80.05904	3.5
81.07055	61.4
83.04960	7.5
83.08605	16.5
85.06535	5.4
85.10168	20.8
91.05482	36.5
93.07056	19.0
93.43260	3.8
95.04977	7.5
95.08594	36.1
97.10169	8.8
105.07021	47.0
107.08598	32.3
109.06510	6.9
109.10155	92.0
113.06024	4.3
123.11697	15.9
126.57088	5.0
127.07539	7.1
133.09151	4.6
133.10129	95.5
151.11183	67.4
169.12271	15.6
239.23685	8.5
253.14357	55.1
405.24896	4.7
509.38388	100.0
531.07709	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	509.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.1
55.01855	3.2
55.05501	10.9
57.03434	4.3
57.07069	3.6
59.78002	3.2
67.05507	16.7
69.03421	4.7
69.07047	10.6
71.04974	3.6
71.58675	3.6
71.59044	5.9
79.05492	23.1
81.03404	12.0
81.07056	30.7
83.04949	4.4
83.08609	9.1
85.02896	9.2
85.06542	5.8
91.05490	23.7
93.07025	19.2
95.04951	19.4
95.08585	12.7
97.06524	4.0
97.10165	4.1
99.04492	3.3
103.05457	8.1
105.07029	17.3
107.04939	13.9
107.08575	11.3
109.06532	8.8
109.10162	11.1
115.05491	3.6
117.07050	3.8
119.04891	5.8
119.08543	6.7
121.02911	3.6
121.06516	6.6
121.10098	10.3
123.04446	8.0
123.11670	7.9
128.06221	3.6
129.07002	8.1
131.04935	13.3
131.08583	4.6
132.05679	8.9
133.02832	3.9
133.06482	5.5
133.10126	9.3
134.03589	4.4
135.04375	5.2
135.11679	6.1
137.02315	9.1
137.05968	9.5
137.31155	3.1
139.03853	9.9
141.06973	3.4
145.02818	4.0
145.06502	5.6
145.10088	6.9
147.04398	7.7
147.11671	4.8
149.02322	3.1
149.05974	4.7
151.03889	7.3
153.01826	18.6
153.05405	4.0
155.08504	3.4
155.14320	3.6
159.26932	3.9
160.05238	6.7
161.05992	17.6
163.03897	7.0
163.11134	4.2
167.07066	20.9
173.05969	4.2
177.05499	6.9
191.06973	10.2
192.07837	9.6
193.08574	3.8
193.12273	6.3
197.06004	5.7
200.04691	62.8
201.05042	6.6
201.14954	4.2
209.08195	3.8
211.03862	9.0
212.04739	5.5
213.05469	2.9
215.07042	9.1
225.05493	5.0
228.04094	19.4
230.05763	4.0
239.03372	8.5
241.04948	6.5
243.06499	18.2
253.05083	4.6
256.03647	7.2
258.05371	8.2
268.03625	4.3
269.04456	15.5
271.06033	100.0
272.06323	5.5
285.07547	7.9
289.05234	8.2
297.07578	3.8
299.05533	77.9
299.08972	6.0
300.06070	12.7
301.07034	23.4
311.05289	5.5
314.04187	15.0
325.07028	12.9
325.10883	3.5
329.06552	46.9
330.06924	6.7
341.06265	3.3
355.08212	4.9
382.70267	4.0
385.23672	3.5
414.34821	4.0
459.10696	48.1
460.10992	4.3
479.13367	23.9
491.13474	15.2
492.13055	5.3
506.03595	3.7
509.14462	76.0
509.27344	7.2
509.34027	5.5
510.14624	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	509.2726
Annotation	Asn Thr Phe Lys
Peak:m/z	Relative Intensity
51.35937	1.9
54.96975	2.0
55.05499	2.3
62.26448	2.2
71.58401	4.2
79.05467	2.5
81.07035	4.7
86.09674	4.3
90.78325	2.0
91.05459	3.6
95.08586	2.5
100.41619	2.0
109.54893	2.2
127.12832	2.1
137.02310	2.6
139.75073	2.5
161.03072	2.3
184.07253	9.3
246.72601	2.4
249.88982	2.1
299.21780	2.4
423.19382	6.2
471.71964	2.3
509.26865	100.0
510.27444	4.6
527.06842	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24246	3.8
55.01873	12.5
55.05509	58.8
57.03437	16.7
57.07056	7.1
59.05011	6.9
61.02918	7.0
67.05504	74.8
69.03427	12.1
69.07067	28.6
69.25044	32.7
69.25462	14.8
71.04983	24.3
75.51814	4.1
79.05492	100.0
81.03424	28.4
81.07057	97.5
83.04954	20.5
83.08627	29.9
84.74921	4.1
85.02898	9.3
85.06535	10.5
91.05486	60.4
93.07046	91.0
95.04971	93.6
95.08597	47.7
97.06519	18.8
97.10172	35.1
105.07034	46.6
107.04958	49.1
107.08573	47.2
109.06512	65.4
109.10143	22.6
111.04451	5.0
111.08088	6.2
117.07012	24.5
119.08556	20.5
121.06515	37.1
121.10146	40.9
123.04401	5.9
123.08086	12.1
123.11717	14.6
125.09626	27.0
129.07004	16.1
131.04913	5.0
131.08557	31.6
133.06470	10.2
133.10155	12.7
135.08066	29.5
135.11731	14.1
137.02267	4.1
137.06010	5.8
137.09601	8.2
139.03891	13.4
139.11218	7.1
140.55423	3.9
141.07016	6.4
143.08556	7.2
145.06500	16.8
145.10118	20.1
147.08043	13.5
147.11667	8.0
149.09622	25.9
153.09149	9.1
155.08563	6.4
157.10193	9.9
159.08025	6.9
159.11705	13.8
161.06061	6.0
161.09630	13.0
163.11140	22.4
167.07072	5.8
167.10681	17.6
171.08026	4.7
173.09665	8.0
173.13211	7.7
175.11206	11.7
183.11703	6.5
187.11240	5.1
187.14790	4.1
189.11252	11.5
191.14340	16.4
193.12265	13.8
195.11635	4.4
197.13248	5.1
199.11533	4.3
199.13292	24.0
201.12862	6.2
205.12283	6.0
209.11652	5.0
211.13251	8.2
211.58537	4.6
215.14236	5.3
219.13745	38.8
223.13347	19.0
227.12729	21.3
233.15356	11.8
237.14882	11.2
255.13571	4.3
267.15952	5.9
273.14581	7.9
273.17087	16.2
275.16382	6.4
275.86633	4.6
285.07129	4.2
293.17398	29.6
299.09125	5.3
339.23123	5.9
349.21539	20.3
367.22681	48.1
371.11411	6.7
385.23608	38.1
403.24789	15.8
441.26236	9.5
459.27390	32.1
477.28387	19.4
491.30167	22.8
509.30667	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	509.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20469	0.7
57.03431	0.6
67.05485	0.8
71.03695	1.6
71.04046	1.0
79.05461	1.2
81.03384	0.8
81.07023	1.4
91.05463	1.7
93.06992	2.0
95.08590	0.8
105.06969	1.2
107.08575	1.0
107.58128	0.7
109.10097	1.2
119.01836	1.3
119.08549	1.1
135.11592	0.8
143.01892	0.9
147.11632	0.6
151.03842	0.9
161.02971	1.4
167.06960	1.1
179.06982	0.8
191.07027	0.9
200.04559	0.9
203.05215	2.8
222.92732	0.7
227.05338	0.9
239.03323	1.3
243.04649	2.3
245.06332	7.2
264.11911	0.9
271.06369	1.0
284.03210	1.2
287.01385	0.6
287.03726	16.7
289.05280	100.0
290.05814	0.8
299.02542	1.0
299.05420	4.7
313.07092	0.9
314.04633	0.7
329.06644	2.2
337.90131	0.6
369.14368	1.0
402.57196	0.6
440.76886	0.7
465.24704	9.2
479.13327	1.2
491.22650	5.1
509.23575	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	509.196
Annotation	Unknow
Peak:m/z	Relative Intensity
71.59274	2.7
81.07026	2.5
81.86934	1.9
87.51295	1.6
90.98360	1.6
91.05480	29.0
95.04969	2.2
103.05482	10.7
105.03394	1.9
109.25455	1.5
115.05465	5.1
125.02428	1.9
129.07002	5.8
129.83746	1.7
131.04927	22.1
131.21091	1.6
152.06184	1.7
153.01888	2.3
157.06482	14.0
165.07079	2.1
179.03374	8.4
182.07329	2.4
197.04410	3.0
210.06700	2.2
235.07622	3.2
253.08650	2.7
263.06940	2.5
266.05618	2.7
281.08075	73.8
282.08569	2.6
283.09674	4.0
359.12692	8.4
385.14334	100.0
386.14706	4.2
405.13327	11.7
509.19403	7.1
509.26822	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01873	2.3
57.03434	3.5
58.73491	1.2
62.41496	1.4
64.44313	1.3
65.03934	6.5
67.05492	4.1
67.16284	1.6
69.03430	6.9
70.06588	2.0
71.58015	2.4
79.05492	9.5
81.03426	3.7
81.07056	4.1
82.04214	1.6
83.05025	1.6
85.02890	7.6
91.05473	8.6
93.03384	1.5
93.07019	2.1
95.04961	6.5
95.08616	3.2
97.02876	2.3
97.06536	1.8
99.08099	1.6
103.05487	2.5
105.07019	4.6
107.04948	20.9
107.08604	1.4
108.02115	2.6
109.02865	2.2
109.06483	2.3
110.03662	3.7
111.04427	2.7
115.05449	8.3
115.27148	1.6
117.07007	8.8
119.04973	1.8
119.08607	2.0
120.08073	1.5
121.06531	3.3
123.04427	8.0
124.05219	3.3
125.05991	4.6
127.03925	9.9
128.06223	3.6
129.06989	3.5
131.04887	3.1
131.08546	5.3
133.02930	2.5
133.06473	5.7
135.04417	8.9
137.05983	7.9
140.04692	1.6
141.06932	1.5
142.02544	1.6
143.04933	2.6
144.05711	6.4
145.06476	14.0
147.04430	4.4
147.08073	3.8
149.06039	2.5
151.03944	3.3
151.07524	2.0
152.04520	1.8
153.05487	3.5
155.04819	2.4
155.05937	1.8
155.07053	2.7
155.08504	1.6
156.05623	1.9
157.06506	4.1
159.08047	3.9
161.05960	8.7
163.03926	3.9
163.07533	2.4
165.05521	2.3
167.07047	52.0
171.06572	5.8
172.05202	20.6
173.06001	9.0
174.06758	1.5
175.07597	3.6
177.05486	2.5
177.09135	1.9
179.07056	2.2
181.04950	100.0
182.05286	2.0
185.06041	1.7
187.07489	7.7
189.05469	6.9
190.06248	2.7
191.07021	2.2
193.08615	1.5
200.04659	8.0
201.05513	4.9
202.06168	1.9
203.07031	3.8
205.08607	5.1
206.05692	3.3
207.10147	2.9
209.08156	3.9
213.05460	1.5
217.08566	4.9
218.05742	16.1
218.09169	6.9
219.06439	2.4
219.08357	1.8
219.10146	6.7
221.08018	8.7
231.06438	2.1
233.08064	97.1
234.37587	1.5
235.09616	5.4
241.10674	5.6
245.08110	3.4
251.09180	3.2
259.09781	2.3
263.06870	1.9
263.09204	18.7
265.08566	2.1
279.06522	1.7
279.10135	2.5
291.06436	2.1
295.09656	2.1
297.08002	1.6
307.12164	3.4
319.11783	2.3
323.09152	3.3
339.12134	1.9
347.11255	9.2
353.10419	2.2
355.11588	2.4
367.11777	4.9
371.14789	2.3
372.11972	3.8
381.13416	2.4
386.13840	2.0
387.14438	6.2
399.14362	6.1
417.15414	25.2
461.18011	4.6
479.19003	2.3
491.19128	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	509.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.8
54.28107	1.7
55.01880	3.3
55.05509	10.4
57.03429	2.9
61.45755	1.6
63.63772	1.9
67.05506	22.6
67.05843	3.0
69.03406	2.5
69.07069	3.5
71.01347	2.0
71.04992	4.4
71.59763	3.4
78.04707	3.0
79.05485	15.5
81.03402	6.3
81.07047	16.9
83.04987	4.4
83.08626	4.4
85.02882	4.8
91.05485	11.4
93.07026	13.1
95.04971	5.6
95.08595	5.6
97.02921	2.4
97.06521	2.8
97.10143	5.0
103.05448	2.5
104.95768	1.7
105.07043	6.4
107.04944	8.0
107.08604	7.8
109.06530	5.7
109.10151	9.1
111.08093	1.9
117.07023	2.8
119.08579	5.6
121.06510	5.4
121.10137	4.2
123.04420	8.3
123.08110	2.3
124.05213	3.7
125.05974	2.1
125.09608	2.3
128.80231	2.0
131.04942	3.5
133.10149	5.2
135.11661	2.2
137.05934	3.3
138.23654	1.7
139.03905	2.8
139.07550	4.2
143.08479	2.1
145.06485	2.1
145.10092	3.9
147.04372	3.5
152.04677	3.1
155.08609	2.0
159.11748	2.4
163.03911	2.3
163.11209	4.5
165.05624	2.1
165.06999	1.9
167.07036	100.0
168.07407	1.7
173.11662	2.0
177.05431	4.3
191.06995	3.0
193.12312	3.3
209.08003	2.5
219.08313	1.9
227.06987	3.0
227.12714	2.0
239.07063	2.3
253.08673	5.5
281.08026	2.6
298.08435	4.3
299.09137	7.3
313.10703	48.2
325.10657	5.2
337.10834	2.7
437.25522	3.5
459.14224	2.1
459.27020	2.4
460.14874	3.0
463.13892	2.5
476.14267	2.5
477.29175	3.0
479.16763	5.8
491.16647	22.7
509.26627	5.1
509.31018	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	509.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62247	0.9
68.51548	0.9
70.87468	1.0
70.87801	2.2
73.97798	0.8
79.01614	1.3
79.05493	1.3
81.07044	2.3
91.05487	1.3
95.01076	1.5
95.08615	1.5
103.89027	0.8
105.07047	2.1
107.04940	1.2
107.08606	0.9
113.02158	2.1
137.05956	4.6
139.03563	1.3
141.05212	1.0
153.01790	1.7
161.06021	1.8
185.04248	1.6
186.06471	4.4
199.90207	0.9
219.06409	2.0
227.05209	3.3
243.04916	1.2
261.10986	8.1
271.04092	1.8
289.10468	5.0
321.11658	1.9
321.56693	1.0
344.84930	1.0
384.46335	1.0
405.15247	2.8
423.16180	21.4
433.76917	1.1
465.17294	100.0
466.17584	2.1
466.70917	1.0
509.16306	98.8
510.16739	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1445
Annotation	Picramnioside D
Peak:m/z	Relative Intensity
53.03941	0.8
55.01876	1.1
55.05497	1.5
57.03430	0.6
65.03924	0.8
67.05505	3.5
69.03433	0.9
69.07057	1.4
71.04976	0.8
71.58459	0.6
71.58881	1.1
76.02187	0.6
79.05478	4.4
81.03414	1.8
81.07071	3.6
83.04908	0.7
83.08634	0.7
85.02895	1.2
91.05477	3.2
93.07042	3.2
95.04957	4.0
95.08607	2.8
97.06539	0.9
97.10175	0.9
103.05476	2.0
105.07022	2.2
107.04942	2.8
107.08591	2.2
109.02917	0.9
109.06503	2.5
109.10143	2.2
114.24474	0.6
117.07059	0.9
118.04171	1.0
119.08569	1.7
121.06503	2.1
121.10125	1.5
123.04428	2.3
123.08128	0.9
123.11725	1.2
125.09614	1.6
129.06984	0.8
131.04977	1.5
131.08572	1.4
133.10127	1.0
135.08051	1.7
135.11732	0.7
137.05988	2.7
139.03886	1.5
143.04884	0.6
143.08556	1.0
145.06461	1.5
145.10152	1.3
147.04359	1.5
147.08073	0.8
147.11655	0.7
149.05923	0.7
151.03915	1.4
153.01831	1.1
153.05522	0.9
157.10068	0.9
161.09615	0.8
163.03934	0.8
163.11235	1.5
167.03429	2.0
167.07071	4.5
167.08353	0.8
173.05917	1.1
173.13194	0.7
175.03864	0.7
176.04691	1.2
177.05533	0.8
182.48318	0.6
191.07079	1.8
193.12154	0.7
200.04773	0.9
205.08656	2.5
213.05472	4.7
217.04996	2.3
219.13725	1.1
227.12704	0.9
228.04245	2.9
229.04991	6.3
233.07965	0.8
242.05724	0.8
243.06567	2.1
253.05128	1.0
253.75423	0.6
256.01224	1.2
256.03690	12.7
256.07324	11.4
256.09927	0.7
257.04489	2.9
258.05237	1.9
265.09058	0.6
267.06458	3.2
270.05255	2.0
271.06018	53.9
272.06818	11.5
273.17300	0.8
282.05286	0.8
283.05942	1.7
284.06888	2.4
285.04501	0.8
285.07489	4.0
286.04730	6.3
297.07489	0.8
298.04733	1.3
299.05527	10.7
300.06281	32.4
301.07068	11.1
311.05548	2.0
313.07028	2.2
329.21289	0.7
341.06683	1.3
345.40909	0.6
349.21469	1.0
367.22409	1.2
369.14688	0.8
385.23947	0.8
433.09097	1.9
461.08661	3.1
463.10428	1.1
475.10300	2.5
476.11282	1.5
479.13388	3.8
491.13367	13.5
509.14417	100.0
510.14886	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	509.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50838	2.0
52.52613	2.0
55.05516	3.7
67.05518	12.8
69.03444	3.8
69.07063	6.5
71.58472	4.4
79.05486	13.5
79.08588	2.2
81.03416	7.4
81.07069	13.6
83.04989	4.5
83.08622	7.3
85.02921	3.8
89.03899	2.9
91.05489	17.2
93.07074	11.7
95.04977	7.7
95.08597	8.2
97.06573	3.2
97.10172	2.6
102.75655	3.0
103.05486	6.2
105.07031	10.6
107.04962	5.0
107.08598	11.0
109.02943	2.2
109.10141	6.3
111.08043	2.5
117.03397	3.0
117.06998	3.0
119.08562	5.6
121.06511	5.8
121.10157	5.8
123.04416	5.6
131.04951	7.2
133.10120	3.2
134.03651	4.9
135.11682	5.1
139.03915	3.4
145.06503	2.5
145.10149	4.5
147.04405	4.3
149.05965	4.4
152.01015	2.5
153.01765	2.9
155.04926	8.4
157.10182	3.3
161.06038	3.3
163.11151	3.7
167.07034	6.9
177.05507	4.1
181.04881	2.7
183.04419	6.8
187.07542	3.6
191.06999	7.0
200.04771	3.9
211.04044	3.1
211.13364	3.1
212.04622	3.3
225.05576	3.8
228.04210	5.7
238.94548	2.5
239.03397	6.7
241.05034	3.1
243.06627	4.0
256.03647	13.9
268.03745	3.2
269.04407	3.8
271.06021	100.0
272.17297	2.6
286.04724	3.8
299.05533	51.4
299.08936	3.6
300.06213	10.3
301.07025	20.1
337.06787	3.3
461.10199	2.7
479.13120	8.0
491.13446	48.9
509.14313	61.8
509.27036	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	509.1291
Annotation	syringetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03925	0.9
55.29353	1.0
57.03430	1.5
59.69902	0.8
61.02912	2.8
67.48694	1.0
68.99811	1.5
69.03414	4.0
70.06561	1.8
71.07065	1.3
71.07418	1.9
79.05484	1.2
81.03413	3.3
81.07046	1.0
85.02910	10.3
91.05505	1.6
93.07042	1.3
95.04977	1.8
97.02884	3.7
107.04955	8.3
107.08646	1.1
109.02879	2.2
121.02888	1.3
121.06486	1.1
123.04427	3.6
125.06002	1.4
125.33949	1.0
127.03920	1.5
135.04407	15.5
137.02312	2.2
137.05911	4.7
139.03897	4.3
147.04446	1.3
149.05974	2.3
151.03952	1.1
153.01822	6.5
153.05461	5.9
159.08099	1.1
161.06039	1.8
161.60716	0.9
163.03922	8.8
165.01833	2.5
167.07082	3.4
169.04982	1.9
173.05867	1.0
175.07585	1.0
181.05005	5.0
181.06346	1.1
183.02858	1.6
185.08081	2.2
195.06525	1.2
197.05885	0.9
197.08170	1.1
207.06532	1.8
209.08127	2.6
213.05435	1.5
216.04272	1.0
229.04887	1.6
230.05701	1.3
233.08018	1.4
241.04973	1.4
244.03648	1.7
257.04587	1.1
258.05203	6.7
259.06085	2.9
259.09558	1.6
261.04111	0.9
269.04572	1.8
272.03043	1.1
285.04053	2.2
286.04715	5.3
287.05527	11.0
287.08679	1.5
289.03406	1.1
291.08554	1.3
301.03448	1.1
303.05045	4.0
313.03381	1.2
314.04080	1.9
315.04947	3.6
315.13498	1.0
316.05933	1.0
319.11887	4.5
331.04510	7.2
332.05209	6.4
347.07596	100.0
347.11313	16.5
348.07922	4.0
491.17020	2.5
509.23639	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.0928
Annotation	Patuletin 3-glucuronide
Peak:m/z	Relative Intensity
55.01864	0.6
57.03420	1.4
59.19604	0.6
59.41224	0.5
68.99799	0.6
69.03414	0.9
70.06568	0.7
71.01341	2.0
71.22824	1.4
73.02925	3.8
81.03399	0.5
82.06559	0.7
85.02910	8.5
86.09673	0.8
91.03973	0.7
95.01325	1.3
97.02872	1.4
98.21454	0.5
99.00802	1.0
107.04961	1.1
109.02883	1.3
111.00783	1.4
113.02360	2.7
127.03893	1.1
131.03424	2.3
137.02333	1.3
139.03905	2.5
141.01840	2.0
145.06555	0.5
147.04442	0.7
153.01830	6.7
154.02159	0.6
159.02876	0.9
161.05977	1.0
165.01834	2.1
165.05396	0.9
167.03418	2.2
167.07060	2.5
167.23032	0.5
172.05174	0.7
181.04967	1.8
193.04962	7.8
194.05295	4.1
195.05510	3.1
206.05714	0.6
207.06525	1.4
216.04135	0.6
217.04938	3.6
218.05684	0.9
219.02850	3.5
233.04428	1.3
233.08128	4.5
234.05110	0.7
244.03712	2.5
245.04459	3.0
255.02980	0.7
259.05978	1.0
261.04141	0.7
263.09247	0.9
273.03943	3.2
273.12305	1.5
277.07111	1.2
287.05508	1.7
287.13934	1.4
289.03226	2.7
290.04285	1.9
301.03387	5.1
304.05737	0.7
315.13403	4.2
316.14203	1.3
318.03711	11.1
333.06042	100.0
334.06384	2.2
347.11227	1.1
392.58157	0.7
398.06149	0.6
417.15524	0.8
442.53970	0.7
455.58734	0.7
491.16602	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	508.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.7
55.43181	1.0
56.04571	1.0
57.07055	1.4
58.06565	1.3
60.08167	15.8
67.05493	3.1
69.07051	2.5
69.35471	6.2
69.35900	5.0
71.07362	7.1
81.07044	3.7
83.08618	2.2
83.24541	1.0
86.09708	54.7
92.37561	0.9
93.07030	2.1
95.08616	1.6
95.33961	1.0
97.44173	1.0
98.21516	1.9
98.98455	4.6
104.10743	100.0
105.11093	1.2
107.08577	0.9
109.10154	1.6
121.10078	1.4
124.99999	28.1
173.01952	1.1
176.63202	1.1
184.07344	89.2
188.92468	2.0
195.94632	1.8
197.69237	1.0
211.94034	1.7
213.95636	6.4
226.93985	1.4
258.11115	1.3
269.98254	4.7
325.27402	1.2
337.27518	1.6
490.32880	9.0
508.34055	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	25.0
55.79717	2.4
57.03426	6.7
57.07071	57.7
67.05504	77.6
69.07062	29.5
69.94958	12.0
71.04989	5.0
71.08632	38.2
75.70808	2.4
79.05484	31.8
81.07053	97.4
83.04978	4.7
83.08613	30.1
85.06532	4.3
85.10181	19.5
91.05470	18.0
93.07039	48.4
93.81660	2.3
95.04951	6.6
95.08598	51.3
97.06539	8.6
97.10169	11.7
105.07033	9.1
107.08591	25.0
109.10169	22.3
111.08099	4.8
117.07046	7.2
121.10158	19.4
123.11723	9.5
131.08582	7.3
133.10176	4.2
135.11673	11.4
137.13191	2.9
138.11653	2.5
149.13272	41.3
159.11673	13.1
177.12816	7.2
195.13882	11.8
239.23660	15.8
260.51300	2.5
303.05084	4.6
348.96289	3.0
384.36566	3.0
496.82788	3.2
507.40509	100.0
508.40698	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	508.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
66.68292	0.7
70.02867	1.8
70.03281	2.4
93.07063	0.8
103.05452	6.4
107.04917	1.8
117.89802	0.8
120.08105	100.0
121.08437	2.0
127.03899	1.1
131.04935	2.1
149.05972	1.7
155.15213	0.9
166.08633	52.4
167.08960	1.0
197.76659	0.8
450.47055	1.0
508.07553	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.5
55.01867	3.1
55.05510	25.5
57.03429	7.1
57.07072	14.6
65.03940	3.0
67.05508	100.0
67.05873	4.8
69.03382	2.1
69.06722	2.4
69.07069	21.9
70.01418	3.8
70.01823	9.6
71.04971	3.9
71.08620	9.4
74.56035	2.0
77.03918	2.4
79.05492	34.6
81.03420	2.7
81.07062	74.0
83.04992	4.4
83.08623	18.6
85.06531	5.6
85.10169	5.9
91.05490	27.9
93.07051	38.4
95.04954	7.1
95.08058	3.2
95.08607	42.6
97.06516	2.9
97.10174	17.7
99.08092	2.2
105.07045	15.0
107.08596	31.7
109.06471	2.3
109.10156	62.8
111.08101	4.7
111.11725	2.2
113.09649	2.0
117.07022	9.7
119.08576	17.1
121.10157	16.3
123.08158	2.7
123.11700	12.1
125.09604	11.6
129.06961	2.9
131.08578	14.2
133.10109	12.3
135.11688	12.9
137.09628	2.6
137.13290	2.3
145.10109	9.4
147.11676	9.4
149.13260	13.5
159.11710	12.5
161.13249	5.3
163.14798	4.0
171.11636	4.0
173.11737	15.0
173.13271	6.2
187.14835	3.2
189.11179	6.7
189.16144	2.4
193.12338	2.0
194.12650	2.4
227.12817	10.9
229.14363	29.8
231.15895	3.1
239.23761	5.3
243.20961	3.9
261.22180	22.6
279.23236	3.4
317.24786	3.4
335.25854	20.7
379.29831	2.4
397.30850	6.7
415.32037	9.5
433.33167	3.9
471.34644	3.1
489.35803	30.3
507.26987	12.2
507.39917	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	507.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.9
55.01868	4.1
55.05508	26.1
57.03423	6.8
57.07081	12.2
59.04977	2.0
65.03938	3.7
67.05504	100.0
69.03422	2.1
69.07071	17.6
69.40325	4.9
69.40727	16.4
70.14762	2.2
71.04992	4.0
71.08624	7.3
71.25119	1.6
77.42076	1.8
79.05495	31.4
81.03423	3.1
81.07053	69.1
83.04962	3.3
83.08627	20.9
85.06542	3.6
85.10178	4.5
91.05482	21.6
93.07043	34.4
95.04970	4.5
95.08611	41.2
97.06551	3.9
97.10176	16.8
99.08131	2.2
103.69756	1.7
105.07030	15.4
107.08597	26.0
109.06488	2.2
109.10159	49.6
111.08064	3.6
117.06989	7.0
119.08590	18.4
121.10139	19.6
123.11689	9.8
125.09641	11.7
129.07011	2.9
131.08549	14.0
133.10132	12.7
135.11699	12.0
137.13235	3.9
139.11163	1.9
145.10141	8.2
147.11681	7.2
149.13258	12.0
156.17101	1.9
159.11714	9.7
161.13252	4.0
163.14828	2.1
171.11719	2.7
173.11732	10.1
173.13246	4.7
175.14828	2.7
177.16298	2.2
187.14835	4.6
189.11212	5.4
191.88589	1.9
227.12791	10.9
229.14322	23.8
243.21088	3.4
259.20459	2.3
261.22122	15.5
301.55795	2.0
317.24615	2.4
335.25836	13.5
379.29959	3.4
397.31082	5.3
415.31952	9.2
433.33228	5.6
455.22348	1.8
488.18155	2.0
489.35840	29.6
507.29367	3.3
507.37015	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	507.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.9
55.05510	28.6
57.03424	6.6
57.07068	9.0
58.07418	3.1
59.04974	3.3
67.05505	100.0
69.03414	3.0
69.07063	15.6
71.04975	5.5
71.08598	3.4
76.83567	2.5
79.05492	34.7
81.03405	11.0
81.07051	59.9
83.08611	16.3
85.06542	4.1
91.05483	26.0
92.02278	2.3
93.07048	39.4
95.04983	5.6
95.08607	50.2
95.81782	2.4
97.06538	5.7
97.10162	18.6
98.21557	7.4
99.08072	3.3
103.51050	2.4
105.07019	17.1
107.08599	22.3
109.09451	5.0
109.10151	55.1
111.08070	4.0
117.06987	6.3
119.08585	21.8
121.10162	12.6
123.11741	7.0
125.09657	9.2
131.08572	14.9
133.10138	13.4
135.08081	4.3
135.11691	12.8
137.09688	4.0
137.13264	3.7
145.10123	8.9
147.11696	11.5
149.13243	7.8
157.10188	3.1
159.11699	11.1
161.13322	5.8
169.10239	3.4
173.11734	13.2
173.13235	7.2
175.14841	3.7
183.11642	3.1
187.14825	4.2
189.11226	9.5
193.12332	2.6
201.16301	3.7
227.12840	11.9
229.14345	32.0
229.84555	4.1
243.21181	4.9
247.17230	2.9
259.20566	3.0
261.22122	24.1
291.23514	2.6
317.24683	3.6
335.25748	14.2
376.48334	2.5
397.30908	5.6
415.31894	7.5
428.26324	2.7
433.33105	5.9
489.35635	33.6
507.36661	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	507.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	4.0
55.05509	27.5
57.03420	4.9
57.07068	11.7
59.04956	2.7
65.03944	3.4
67.05502	100.0
69.07059	14.5
70.63632	8.4
71.04990	4.9
71.08644	6.8
79.05483	32.9
81.03423	5.2
81.07056	64.7
83.08613	20.2
85.10194	4.1
91.05489	23.2
93.07035	34.4
93.13263	2.8
95.04982	8.8
95.08601	44.6
97.06534	4.0
97.10164	19.0
105.07020	20.8
107.08604	26.5
108.66575	2.7
109.10149	62.5
110.10429	3.0
111.08057	4.9
114.62534	2.8
117.07028	7.1
119.08566	15.1
121.10138	20.7
123.11753	6.9
125.09625	14.1
128.64272	3.0
129.07024	3.9
131.08568	13.5
133.10141	8.7
135.11690	14.0
135.75337	2.8
137.13278	3.5
145.10132	11.0
147.11681	13.6
149.13249	5.2
155.08517	3.7
159.11745	7.8
161.13272	4.0
163.14899	3.9
171.11732	4.8
173.11746	14.4
173.13177	7.0
187.14865	4.1
189.11240	7.5
227.12819	9.1
229.14253	26.1
243.21208	3.2
261.22174	19.9
321.44162	3.5
335.25760	18.1
341.86343	2.9
397.31158	6.9
415.31918	6.5
433.32678	4.4
489.35718	30.3
507.29324	4.2
507.37085	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	507.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.8
55.05512	5.6
57.07064	1.2
67.05507	6.7
69.07069	4.5
71.04965	1.1
71.08630	3.2
71.10974	2.2
71.17727	0.9
79.05492	5.7
81.07055	11.1
83.04948	1.6
83.08607	4.2
85.02876	0.9
85.10229	1.1
91.05475	8.1
93.07043	7.3
95.04984	2.0
95.08602	6.7
97.06526	1.3
97.10155	2.7
99.08093	2.1
105.07007	6.5
107.08601	3.8
109.10144	2.6
113.55894	0.9
117.07005	2.0
119.08571	4.3
121.06495	1.8
121.10151	2.8
123.11684	1.3
125.09660	1.8
129.07014	2.7
131.08545	3.8
133.10153	2.6
135.08002	1.1
135.11661	1.7
137.05994	8.8
139.11203	1.6
141.06963	1.1
143.08545	1.2
145.06458	1.2
145.10149	3.4
147.11716	2.2
149.13248	1.2
151.07495	2.8
155.10718	1.0
157.10159	1.1
159.11685	1.9
167.08615	1.0
167.20775	0.9
169.10081	1.2
171.11676	1.5
173.09717	1.0
173.13333	1.6
175.14824	1.0
177.12743	1.5
189.11143	1.1
199.14757	1.0
277.21567	1.8
295.22617	1.0
303.23215	1.3
321.24442	1.0
325.23795	1.3
355.26346	1.4
375.25516	1.8
435.32510	1.5
453.33542	2.9
459.87326	1.0
471.34586	3.8
489.35666	5.7
507.29279	100.0
508.29694	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	507.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20051	4.7
53.03942	5.2
55.01873	7.8
55.05496	15.7
55.36050	4.5
56.96558	4.8
57.07076	11.2
59.05000	4.5
65.39464	4.3
65.81429	4.4
67.05516	31.8
69.03430	11.1
69.07070	54.2
70.06586	6.0
71.08608	6.4
71.48180	4.7
71.58145	3.9
71.58597	9.1
79.05488	16.6
80.49363	4.0
81.03438	4.8
81.07064	95.9
82.07384	4.3
83.08615	15.4
85.02917	15.3
85.06538	12.9
91.05473	14.1
92.96070	4.1
93.07045	34.0
95.04977	14.9
95.08611	75.2
97.02894	6.0
97.06519	11.6
97.10161	4.2
98.97565	5.9
99.08096	13.9
103.05461	14.9
105.07031	19.6
107.04949	22.0
107.08613	37.0
109.02864	4.5
109.10168	71.9
111.08073	10.6
111.11705	7.1
117.07064	5.1
119.04929	7.1
119.08582	11.1
121.06531	6.8
121.10143	25.8
123.04489	8.3
123.11732	42.4
127.03912	9.4
131.04924	18.3
135.11691	23.0
137.05968	21.6
137.13286	20.1
139.03952	5.3
147.04393	8.6
149.13269	39.7
151.03925	5.3
151.07599	7.7
151.14748	5.5
153.12766	11.2
161.05984	12.5
161.13271	6.7
163.07535	10.2
163.14836	11.5
167.07069	14.5
168.48793	5.2
177.05408	6.4
177.16278	8.9
179.07079	5.2
179.83571	5.2
181.04991	12.8
193.08629	6.0
203.17963	6.5
205.19514	27.4
221.08104	5.7
223.20567	16.3
227.02686	5.5
233.07996	6.1
259.09644	4.7
273.25726	10.4
279.27051	6.2
291.26877	19.9
309.28073	5.8
327.29266	5.9
329.10135	6.0
380.57336	5.3
489.17160	5.1
508.25287	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.2
57.03441	5.5
67.05493	11.6
69.03436	8.0
69.07060	16.1
70.06590	6.3
71.08625	4.1
73.75304	4.9
79.05502	8.6
81.07056	28.1
83.08614	7.0
85.02913	14.2
91.05477	11.8
93.07023	4.9
94.45317	4.1
95.04945	5.0
95.08612	18.8
97.06464	4.5
103.05479	4.1
105.07039	8.1
107.04971	11.1
107.08601	12.2
109.02895	5.6
109.10161	7.6
111.11763	4.9
119.08571	6.1
120.08029	4.1
121.06479	6.1
121.10149	8.6
123.04436	5.9
123.11709	9.0
127.03895	6.4
131.04883	6.7
133.02936	5.3
133.06541	5.0
134.49689	4.1
135.11729	8.0
137.06015	17.9
149.06030	7.0
149.13307	6.7
151.03876	6.9
151.07475	3.9
159.03119	4.2
159.58250	4.8
161.06023	6.6
167.07072	8.7
177.05518	3.9
181.04948	10.4
186.12741	4.0
191.07027	4.8
205.08569	5.5
247.25970	4.6
255.03154	7.6
281.67001	4.6
283.98752	5.1
287.05466	8.5
315.04987	41.7
316.05627	5.5
330.07272	26.8
331.04352	24.9
331.07800	5.7
345.09695	100.0
346.10022	11.6
504.78796	4.7
508.20969	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	507.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.6
55.01865	12.9
55.05507	14.3
56.88198	6.2
57.07079	6.9
65.03926	14.8
67.05500	26.8
69.03419	10.5
69.07079	39.0
69.37510	61.8
73.02901	5.8
79.05478	22.5
81.03409	28.2
81.07056	85.2
83.08617	7.1
85.02905	19.1
85.06526	11.4
91.05470	25.2
93.07055	33.8
94.64409	6.1
95.04953	11.4
95.08606	71.5
95.10225	5.7
97.06532	9.6
97.10165	8.0
98.20693	12.8
98.97585	13.2
100.34081	7.0
103.05448	11.6
105.07037	24.4
107.04964	15.4
107.08605	24.6
109.02851	7.5
109.06455	8.7
109.10166	48.6
111.08081	10.0
111.11731	9.4
115.03909	8.7
115.05460	13.4
116.98589	7.7
117.06998	7.1
121.06528	6.2
121.10151	33.3
123.04398	9.2
123.11692	37.2
124.05219	7.2
131.04935	22.1
131.08606	8.2
133.10153	10.6
135.11684	21.9
137.05984	22.9
137.13237	24.2
142.37929	5.4
145.06497	9.9
147.04384	11.4
148.05141	7.6
149.13266	28.8
151.07530	15.5
152.55197	6.1
153.01825	19.0
153.05421	8.7
153.12770	16.6
153.48926	7.1
160.05231	7.3
161.06004	18.8
163.07506	15.7
163.14825	11.0
167.07047	100.0
173.05997	13.1
174.06740	9.5
175.07536	22.5
177.05443	7.4
181.04994	32.1
181.06367	6.5
187.07579	9.0
189.05438	7.1
191.07010	30.5
192.44145	6.6
203.06992	28.1
205.08598	23.5
209.08051	15.9
211.07483	6.5
217.08644	14.3
219.10191	8.6
226.06197	8.3
227.06764	7.8
233.08127	12.7
241.08594	16.0
245.04327	7.0
247.09642	33.1
265.43991	6.6
269.08093	9.3
271.05930	11.1
286.08374	12.4
291.26889	19.0
299.09045	8.1
301.10687	8.3
309.27762	11.3
315.08633	29.4
317.70865	6.6
329.10184	34.3
385.12939	8.7
400.14737	7.3
418.12524	34.9
507.17548	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	507.295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11482	0.3
50.41751	0.4
53.03944	0.6
53.82432	0.4
55.01852	1.0
55.05261	0.6
55.05510	8.0
57.03441	2.5
57.07061	0.6
65.03926	0.5
67.05177	0.7
67.05507	10.4
69.06725	0.6
69.07069	8.4
69.33722	2.1
69.34145	2.0
69.69355	0.4
71.04976	1.1
79.05495	6.0
81.06581	0.7
81.07057	12.3
82.42725	0.4
83.06136	0.4
83.08618	5.7
85.06535	0.6
89.03388	0.7
89.03906	5.9
89.74529	0.4
91.05502	3.2
93.07053	4.9
95.04979	0.8
95.08607	10.0
97.06532	1.3
97.10172	4.1
99.08070	0.8
105.07028	2.5
107.04953	1.8
107.08636	2.2
107.55312	0.4
109.06506	0.5
109.10171	4.4
111.04401	0.4
111.08089	0.9
111.11713	1.9
117.03392	6.4
117.06984	0.5
119.08569	1.8
121.10157	3.6
123.08022	0.6
123.11707	1.6
125.09598	0.8
133.10175	2.3
135.04411	15.3
135.11696	3.6
136.12085	0.4
137.09628	0.6
137.13242	0.9
139.11206	0.8
145.02846	10.0
145.03992	0.5
147.11664	1.5
149.13264	1.0
153.12785	0.8
154.64722	0.4
161.13272	1.3
163.03908	100.0
164.04266	1.1
165.12805	0.5
179.14287	0.6
181.04977	10.2
193.12419	0.4
217.19533	2.8
235.20570	2.5
237.07600	1.2
253.21596	0.7
281.53543	0.4
309.24384	3.0
327.25320	15.4
489.15695	0.7
507.29385	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43190	1.2
55.01862	1.5
55.05519	9.7
55.26714	1.2
57.03440	4.2
57.07074	2.9
60.91593	1.1
65.03954	1.4
67.05508	15.8
69.03410	1.2
69.07061	11.8
70.51501	1.0
71.04996	1.8
71.58994	2.4
79.05484	11.8
81.03419	2.3
81.07053	20.3
83.04982	2.9
83.08614	10.7
89.03922	6.6
91.05474	9.5
93.07051	10.4
95.04964	4.4
95.08605	17.0
97.02865	1.3
97.06534	3.2
97.10148	6.2
105.06993	6.7
107.04945	4.1
107.08603	4.4
109.10162	7.0
111.04475	1.4
111.11716	1.7
117.03375	8.5
117.07016	1.8
119.08569	5.5
121.06469	1.8
121.10128	7.4
123.11725	2.4
125.09642	1.6
133.10168	5.5
135.04402	19.4
135.11714	5.4
137.09634	1.4
139.11142	2.8
145.02820	13.2
145.10118	1.4
147.11725	5.6
149.13255	1.2
151.11111	1.2
161.13348	2.2
161.57855	1.3
163.03903	100.0
163.11087	1.7
171.11737	1.1
175.14798	1.4
181.04977	6.8
209.11713	1.6
217.19511	4.4
235.20551	5.1
253.21722	1.7
283.15363	2.3
309.24222	4.6
327.25296	18.9
387.30145	1.3
489.15533	2.9
507.29431	1.7
517.99451	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	17.3
56.07253	5.0
57.03429	16.4
57.07072	11.2
63.94525	5.6
64.59049	5.6
65.01616	5.1
67.05499	69.9
69.07059	15.3
71.58537	4.5
71.59004	5.8
79.05498	47.9
81.07059	71.3
83.08608	6.7
91.05476	23.7
91.73237	5.3
93.07046	50.5
95.04977	6.8
95.08605	45.9
98.98470	68.1
105.07010	22.8
107.08620	34.1
109.10146	30.2
117.07021	7.2
119.08556	20.3
121.10144	25.0
121.43993	5.1
123.11700	7.2
129.99651	5.4
131.08588	13.7
133.10127	17.3
135.11714	15.3
147.11757	7.3
149.13203	10.1
155.01028	21.9
159.11719	12.8
161.13269	8.2
163.55006	6.0
165.09192	7.3
173.02103	12.3
173.11700	6.9
173.13202	6.1
175.15160	5.8
210.94684	5.3
243.20953	9.6
261.22156	13.0
317.24747	14.7
335.25769	100.0
507.34366	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	507.293
Annotation	Ixabepilone  
Peak:m/z	Relative Intensity
54.87828	1.1
55.01863	1.4
55.05504	3.4
56.96524	1.2
67.05499	4.7
69.07048	2.1
71.08628	2.3
71.40524	1.9
71.40863	1.5
79.05495	3.3
81.07063	5.3
91.05479	4.6
92.34316	1.3
93.07028	3.3
95.04979	1.4
95.08601	3.3
97.10158	1.6
105.07037	4.3
107.08588	2.5
109.10168	2.3
119.08527	1.6
121.10170	2.8
129.06985	1.7
131.08543	1.8
131.86620	1.1
133.10106	1.6
137.06006	6.2
145.10110	2.1
151.06215	1.1
151.07538	1.5
177.12732	1.4
221.74220	1.2
340.41705	1.3
453.33820	2.4
471.34546	1.5
489.36020	3.2
507.29294	100.0
508.29550	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1653
Annotation	Pannellin
Peak:m/z	Relative Intensity
55.05497	0.5
57.81982	0.5
61.10886	0.5
67.05499	1.0
68.99798	0.6
69.03418	0.8
69.07047	1.1
70.04807	1.6
71.04980	0.6
79.05490	1.0
80.58922	0.6
81.03388	0.7
81.07047	1.6
91.05487	1.3
93.03484	0.5
93.07061	1.1
95.04986	0.9
95.08620	1.8
105.07033	1.5
107.04925	1.0
107.08604	1.0
109.10133	1.0
118.38716	0.5
119.08565	1.1
121.10139	0.9
123.04440	1.0
123.11707	0.7
128.93910	0.5
131.04930	1.0
131.07474	0.5
131.08548	0.7
133.02864	1.3
133.10132	0.9
135.04443	0.7
135.11661	0.5
137.05969	1.6
137.09505	0.5
139.03883	1.3
145.02856	0.6
145.10060	0.8
147.04362	1.6
151.03903	0.8
153.01857	0.6
153.05489	0.6
161.05997	0.6
161.09607	0.7
163.03911	2.4
165.05545	0.6
166.43132	0.5
167.07022	1.3
173.13428	0.5
175.03842	0.7
176.04634	1.5
177.05481	1.6
181.05029	0.9
181.06519	0.6
183.11673	0.6
189.05420	0.6
189.21841	0.5
191.07100	0.7
195.07953	0.6
197.05997	0.6
199.07553	0.5
205.06448	0.5
209.06038	0.9
210.06685	0.6
223.07527	1.1
225.05392	0.5
233.08038	0.6
237.05482	1.2
253.05022	1.1
255.06665	0.6
263.06934	0.8
267.06592	0.7
269.09714	0.6
281.04663	1.2
281.07953	0.7
283.06049	1.6
286.09906	0.8
287.07162	0.6
297.07977	0.5
308.07089	0.7
313.08118	0.7
314.09308	1.3
317.08035	0.7
323.09283	0.8
324.62262	0.5
325.08624	1.1
329.08121	0.7
331.09909	1.0
341.08041	1.1
342.08826	2.3
343.09555	1.3
345.07733	1.1
353.08118	1.3
354.08810	0.7
359.09167	1.7
360.09979	1.8
367.09689	1.2
369.07950	0.7
370.08331	1.8
371.09052	1.2
373.06873	1.0
375.12344	1.7
381.07623	1.1
382.08313	1.0
383.08911	0.9
384.09784	0.6
385.10757	1.3
387.08594	1.1
388.09418	0.8
395.09344	1.1
398.07501	2.6
399.08533	1.9
399.12967	0.7
400.13010	2.0
401.06070	1.1
403.11777	1.5
409.07150	0.7
411.08630	1.2
412.09598	1.0
413.10400	3.7
414.10916	0.7
415.07700	1.2
416.08359	0.6
419.11108	0.8
425.10211	1.8
426.07013	0.9
427.07898	2.6
428.08725	2.3
428.12796	2.4
431.11264	5.8
441.09692	3.3
442.10635	0.8
443.11325	11.0
444.07797	1.2
444.12845	0.9
445.13153	1.1
447.11011	1.1
456.12067	6.1
457.12701	1.9
459.10760	13.3
459.17081	1.0
461.12457	1.0
462.13193	2.3
473.12161	3.9
474.13031	6.8
477.15445	10.1
489.15451	100.0
490.15842	4.0
507.16541	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	507.1492
Annotation	Mikanin 3-galactoside
Peak:m/z	Relative Intensity
53.03941	0.6
53.57407	0.6
55.05507	0.7
57.03421	0.6
61.02922	1.2
62.05724	0.5
65.03944	0.6
66.93257	0.5
67.05495	1.5
69.03435	3.2
69.07060	1.7
70.06581	0.8
71.04990	0.7
71.57759	0.8
71.58145	0.6
73.02910	0.6
79.05477	1.5
81.03397	2.1
81.07056	2.5
84.08141	0.6
85.02901	4.9
91.05464	1.3
93.07034	1.1
95.04954	1.1
95.08612	3.0
96.01862	0.6
97.02893	1.7
99.04511	0.8
104.61292	0.5
105.07031	1.5
106.04224	0.7
107.04921	0.9
107.08601	1.1
109.02874	1.4
109.06498	0.6
109.10143	1.6
115.05394	0.6
119.04934	0.5
119.08605	0.6
121.02871	0.8
121.06516	1.2
121.10104	1.0
121.78701	0.6
123.04407	1.6
123.11674	1.2
124.12122	0.7
127.03914	2.0
128.06172	0.5
135.04422	1.0
135.11673	0.7
137.02332	5.6
137.05988	1.7
137.13242	0.6
145.04958	0.8
147.04419	1.4
147.11661	0.5
149.06001	1.5
149.13298	0.8
151.03889	2.3
153.01802	1.6
158.07312	0.8
161.06004	0.9
163.03946	3.2
163.07631	0.6
164.04657	0.7
167.07033	1.4
171.04471	0.6
173.05989	0.7
181.04939	1.9
186.06671	0.9
187.03816	0.8
187.06070	1.0
187.07614	0.9
191.03430	0.6
192.04166	0.9
193.05037	1.1
197.05986	2.1
199.03896	1.6
201.05524	2.3
201.09122	1.7
202.02705	0.7
203.03351	3.8
205.06967	0.6
212.04695	1.1
213.05484	2.5
214.06255	1.5
217.05023	0.7
219.10152	2.4
220.03709	1.3
223.02417	1.4
225.05467	5.7
226.06219	1.3
227.03406	4.9
227.06915	2.8
229.05098	1.0
229.08553	4.0
231.06512	0.7
239.03456	2.6
241.04938	2.0
241.08702	0.8
242.05789	2.4
243.06564	1.3
245.04443	1.6
251.09312	0.7
253.05038	1.4
254.05768	1.3
255.02882	10.3
255.05614	0.8
255.06551	0.7
257.04288	1.0
257.08087	9.8
259.05936	0.8
267.02878	6.6
269.04407	2.9
270.05252	2.8
280.03467	0.8
281.04428	1.2
281.10205	1.7
282.05237	9.7
283.02521	2.9
283.05521	0.7
285.07584	34.7
286.07846	0.9
287.05481	4.0
297.04001	1.7
298.04700	6.5
299.05374	2.0
299.08633	0.7
303.04977	22.2
313.07065	14.4
315.04984	5.7
330.07285	1.6
345.09686	100.0
346.10007	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	507.1494
Annotation	Mikanin 3-galactoside
Peak:m/z	Relative Intensity
62.47600	0.7
62.53052	0.7
64.54639	0.6
67.05508	0.8
69.03426	1.6
69.84703	3.6
70.06566	1.1
77.02546	0.6
85.02882	2.2
91.05463	0.8
94.12115	0.8
97.02897	1.1
97.18691	0.6
117.59136	0.6
121.02828	0.7
131.04884	0.9
137.02359	5.3
137.05998	1.9
147.04373	1.7
160.38684	0.9
161.06052	0.9
176.04738	1.0
179.03372	2.3
193.04971	1.6
194.91478	0.7
197.06111	0.7
199.03932	1.3
202.02489	0.9
213.05415	1.2
217.04962	1.1
225.05437	1.4
227.03429	1.8
231.06447	4.1
241.04921	1.3
242.05734	0.9
245.04497	3.6
253.05003	1.0
255.02818	3.7
255.06799	0.8
257.08170	1.0
259.05969	4.7
269.04321	3.2
270.05197	1.2
281.04419	1.6
283.02414	8.3
283.05621	1.4
284.03174	0.9
284.06735	1.7
285.07568	7.1
287.05493	6.9
294.04944	0.8
296.06247	0.9
297.03979	2.7
299.05435	5.6
301.06924	0.9
312.06265	3.0
313.06949	3.5
314.07367	1.7
315.04984	21.0
329.06613	1.0
330.07318	13.7
345.09680	100.0
346.10040	2.4
359.89487	0.7
472.23434	0.8
508.49487	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1136
Annotation	Quercetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
51.80709	0.6
53.03958	3.3
54.70729	0.6
55.01864	0.8
55.46012	0.6
57.03419	1.3
61.02918	1.4
68.99804	1.4
69.03433	9.8
70.06562	0.7
71.04987	1.0
71.59106	1.0
73.02898	1.4
77.33086	0.6
81.03416	14.1
85.02907	6.3
85.20287	0.6
93.07021	0.7
97.02892	6.5
99.04441	1.7
107.04913	0.5
109.02886	9.2
111.00775	0.9
119.32172	0.7
121.02850	1.2
123.04391	1.1
127.03915	7.5
133.10139	0.6
137.02330	6.4
137.05949	0.9
145.04936	1.7
145.06575	0.7
153.01834	4.3
163.03891	1.7
165.01831	2.1
165.88274	0.5
167.07057	0.7
177.05612	0.7
181.04912	0.9
183.02817	0.7
187.06032	6.2
187.07521	1.1
197.06108	0.6
201.05455	2.4
219.06548	0.6
225.05434	1.2
227.03429	1.4
227.06873	1.0
229.04982	4.9
229.08604	1.4
238.74026	0.6
242.05634	1.5
247.06000	0.9
255.02931	1.8
255.06648	0.9
257.04410	2.6
257.08109	2.9
259.06015	0.5
265.68085	0.6
267.02896	0.9
269.04419	1.0
270.05286	0.9
274.04742	0.7
280.03470	0.6
282.05258	2.5
283.02328	0.7
285.04034	1.6
285.07516	9.8
287.05450	2.3
297.04001	0.7
298.04764	1.5
303.04990	100.0
304.05371	1.7
313.07010	3.1
315.04849	2.6
330.07355	0.7
343.77808	0.6
345.09677	28.3
421.79056	0.6
507.18427	0.8
527.44360	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1484
Annotation	Mikanin 3-galactoside
Peak:m/z	Relative Intensity
60.24149	0.5
68.99818	0.6
69.98669	3.0
70.06593	1.4
81.03394	0.7
85.02903	1.0
86.09692	0.9
95.04919	0.8
103.64333	0.5
107.04971	0.7
109.02868	0.6
121.06457	1.0
123.04440	0.8
137.02336	5.0
146.20177	0.5
147.04456	0.7
149.52480	0.6
163.03925	0.8
168.04269	0.6
176.04813	0.9
177.05391	0.6
179.03374	1.4
183.06531	0.6
189.05487	0.7
193.04959	1.5
199.03912	1.6
202.02553	0.8
213.05424	1.0
217.04991	2.1
220.03703	1.2
225.05428	1.3
227.03384	0.8
227.07033	0.9
231.06604	3.9
240.03716	0.6
241.05069	1.4
245.04485	6.1
253.04941	0.9
255.02914	4.2
255.06258	0.7
259.06122	4.1
269.04449	2.5
270.05154	1.5
271.06082	0.8
281.04410	1.4
283.02423	7.6
284.03107	2.4
284.06842	1.6
285.07565	6.1
286.04373	1.0
287.05469	6.5
297.03876	3.7
298.04697	0.9
299.05548	6.2
301.07004	1.7
303.04977	0.9
312.06165	1.9
313.03580	1.1
313.06955	4.5
314.03748	3.6
314.07278	2.0
315.04984	18.9
315.08664	1.0
316.05307	0.8
329.06702	1.2
330.07324	10.1
331.06796	1.4
345.09689	100.0
346.10019	2.4
444.59161	0.5
507.14777	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1133
Annotation	Quercetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
51.02361	0.3
67.01869	1.0
67.90472	0.2
68.99770	0.9
69.03415	0.8
69.82354	0.8
69.82767	0.6
70.06572	0.3
79.01844	0.9
81.03413	1.7
81.07050	0.3
85.02895	1.1
93.07029	0.3
97.02879	1.0
97.42343	0.2
98.20813	0.4
100.55053	0.2
107.01411	0.3
109.02859	1.1
125.02341	0.6
125.05978	1.0
127.03103	0.3
127.03930	1.7
137.05969	0.5
143.03374	1.3
147.04434	1.3
151.03889	1.0
153.01825	19.1
154.02158	0.3
167.07069	0.3
169.05026	0.8
171.02869	1.5
193.04958	100.0
194.05331	1.1
231.16953	0.3
297.06046	2.0
301.83759	0.2
303.05081	0.5
315.07004	0.5
345.09683	1.0
396.98523	0.3
405.07828	0.3
439.45203	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35344	2.6
63.23091	2.3
63.46489	2.4
70.37753	6.9
70.38166	4.8
70.86609	2.6
85.02992	2.6
86.89996	2.4
89.07159	15.6
131.99718	2.5
153.01810	9.9
155.77531	3.3
159.22171	2.9
177.35991	2.7
185.04195	49.7
197.23158	2.6
211.00905	7.5
229.01958	5.1
244.97766	2.5
250.11227	2.6
337.04117	15.8
345.02200	100.0
346.02179	2.9
355.05426	3.3
486.43677	2.6
507.07513	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.01870	1.0
57.03457	0.9
61.02947	0.7
67.67754	0.7
69.03435	2.7
70.01539	4.4
79.05497	1.5
81.03410	2.9
81.07087	1.0
85.02901	11.1
87.00833	2.7
91.05482	3.6
93.06179	0.9
95.04969	0.8
97.02892	4.4
99.04456	1.7
105.01878	1.9
107.04977	4.4
109.02877	3.4
113.07928	0.8
115.05456	9.8
117.07015	100.0
124.88408	0.8
125.05981	1.1
127.03915	6.1
129.01866	0.9
131.42198	0.7
133.10065	0.8
135.63289	0.9
136.81000	0.8
137.05971	53.9
138.06367	1.0
145.04955	2.9
159.02911	1.7
161.06001	1.3
165.31659	0.8
179.07115	0.9
203.07042	1.6
231.04933	1.2
241.12219	10.5
307.13358	1.7
359.05807	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
55.05508	8.9
57.03434	29.7
57.07072	4.2
59.05004	4.2
61.02932	5.8
65.71667	2.4
67.05516	19.6
69.03432	97.3
69.07066	7.7
69.78904	2.4
71.04988	5.1
73.02910	5.2
75.04481	7.6
76.48878	2.8
76.55526	2.5
79.05489	26.0
81.03407	12.4
81.07058	30.4
83.08623	4.1
85.02426	5.3
85.02908	77.4
85.06528	3.9
87.04469	55.7
91.05476	12.4
92.31736	2.8
93.07043	31.6
95.04953	6.3
95.08620	32.0
97.02280	6.1
97.02893	87.3
97.06516	4.1
98.20719	8.5
99.04435	4.7
103.03970	4.0
105.07023	10.6
107.08588	23.0
107.75562	3.0
108.95309	2.5
109.02850	4.7
109.06551	5.3
109.10151	10.1
115.03922	90.2
117.07011	5.3
119.08566	7.6
121.10147	22.6
123.04453	3.7
126.82491	2.7
127.03915	11.2
129.06979	3.7
131.08575	6.6
133.04964	100.0
133.06497	4.0
133.10135	4.0
135.11720	14.8
137.13257	3.5
145.04985	13.0
149.09587	2.7
149.13284	6.3
150.07581	13.5
158.39655	2.9
163.05910	3.3
169.09962	2.6
175.14888	3.9
177.16414	18.6
241.06963	4.3
259.08099	5.2
277.09204	5.5
343.07971	3.6
369.71844	3.1
413.60144	3.4
507.28998	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	506.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	0.5
59.80196	0.4
63.02346	0.8
69.43007	1.0
69.43426	1.9
70.06592	1.0
72.08086	0.4
78.04693	0.4
79.05473	0.4
85.02901	0.4
86.09710	0.7
89.03914	11.2
91.05457	3.8
93.07039	0.4
95.04939	0.5
97.02866	0.4
98.20734	0.4
103.05446	0.5
105.03374	0.6
106.04140	0.6
107.04952	0.5
109.06547	0.4
113.41579	0.3
117.03371	30.3
119.04941	4.1
121.06496	0.7
124.05210	0.9
131.04912	0.5
132.13350	0.3
133.02841	5.1
133.06425	0.3
134.03622	2.5
134.41557	0.3
135.04393	3.2
136.07571	0.5
137.05974	4.2
145.02834	64.7
146.03125	0.5
147.04404	4.7
149.05969	12.1
150.06738	0.8
151.03978	0.4
151.07516	1.4
153.01842	1.0
156.15834	0.3
158.05969	0.5
161.05981	1.9
162.03046	0.6
162.05614	0.3
162.06763	1.4
163.03871	1.2
165.05484	0.9
165.35724	0.3
173.06012	0.5
174.05530	0.4
175.03902	3.8
177.05457	100.0
178.05847	1.0
179.07037	3.3
180.07901	0.8
183.35060	0.3
186.05511	2.0
188.07143	0.3
192.06531	3.4
195.02882	0.3
201.05463	7.6
205.06573	0.4
213.05510	0.7
218.08167	0.5
233.05994	0.5
244.06035	1.0
245.11551	0.4
262.07059	0.4
265.08441	0.5
277.08673	0.4
290.06445	0.8
305.08047	1.5
323.09128	0.8
325.10730	3.9
330.34439	0.3
337.10785	1.7
355.11826	1.8
364.86349	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53459	0.5
51.02173	0.4
57.03431	0.5
63.02349	0.8
69.03406	0.7
69.89600	1.7
69.90015	1.4
78.04702	0.8
79.05486	0.6
85.02888	1.1
89.03914	14.4
91.05473	3.8
93.07050	0.5
95.04967	0.6
95.16673	0.6
103.05469	1.3
105.03378	0.8
106.04167	0.6
109.06517	0.5
117.03377	33.9
119.04949	4.2
121.06503	2.1
122.03601	0.8
123.09138	0.6
124.05253	1.0
133.02835	4.5
134.02682	0.6
134.03638	2.2
135.04390	2.4
137.05946	5.2
138.05461	0.9
140.25453	0.6
141.33096	0.5
145.02840	64.7
146.03160	0.6
147.04404	5.7
149.04791	0.8
149.05978	13.0
150.06667	0.6
151.07529	2.3
155.44585	0.5
158.06079	0.8
161.05975	1.8
162.03159	0.8
162.06752	2.0
163.07518	1.6
165.05504	1.0
173.06078	0.5
175.03885	4.1
177.05467	100.0
178.05785	0.8
179.07028	4.8
180.07808	0.8
186.05490	1.6
192.06532	3.9
193.13330	0.7
201.05424	6.7
206.07281	0.6
211.14563	0.7
212.14630	0.9
226.39171	0.5
233.05913	1.1
234.06642	0.7
248.40225	0.5
265.08951	0.6
265.18332	0.7
290.06277	1.1
293.08160	1.0
305.08173	1.5
307.09647	0.8
325.10751	4.5
326.21402	0.8
337.10651	1.4
355.11731	2.0
374.19751	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50378	1.5
53.03937	5.6
55.01860	1.5
55.05299	1.3
55.05508	12.7
57.03426	2.8
57.07075	46.1
65.03944	2.3
67.05171	2.4
67.05507	34.5
69.03433	1.8
69.07066	18.0
71.08631	37.1
71.09035	2.3
79.05488	17.1
81.03417	100.0
81.07047	32.1
83.04973	5.3
83.08618	34.5
85.06541	1.7
85.10181	20.2
91.05472	20.0
93.07040	11.5
95.04965	31.5
95.08604	36.3
97.02887	2.4
97.06537	1.7
97.10172	10.8
99.11768	1.7
105.07040	14.0
107.04953	5.3
107.08576	4.7
109.06512	4.6
109.10140	16.2
111.08078	8.8
111.11761	2.8
113.00014	2.2
114.43155	1.3
117.07021	2.4
119.04917	1.4
119.08578	13.4
121.06490	2.1
121.10154	7.1
123.08066	1.6
123.11711	5.7
129.07019	10.8
131.08571	9.0
133.06535	3.7
133.10155	4.7
135.11737	1.7
137.13258	2.9
142.07780	2.6
145.10143	1.8
146.84615	1.4
147.08072	3.1
147.11703	7.2
149.09634	4.4
157.10114	11.8
165.12770	3.9
169.43405	1.3
175.11200	12.7
193.12241	43.4
221.22673	2.2
226.30234	1.6
239.23701	8.9
249.14941	6.1
319.26309	2.2
375.28845	1.6
393.30191	3.6
481.01947	1.5
505.38910	77.0
506.39233	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	505.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.4
55.05518	18.5
57.03431	2.9
57.07077	41.2
67.05173	3.5
67.05505	44.2
69.03407	2.1
69.07063	17.0
70.30678	7.9
71.05004	2.0
71.08632	28.9
72.47926	1.8
74.56986	1.7
78.64210	1.9
79.05493	16.9
81.03419	84.8
81.07056	37.9
83.08614	33.2
85.06557	1.9
85.10181	12.7
89.03916	5.7
91.05478	20.1
93.07042	13.6
95.04964	25.7
95.08042	3.4
95.08606	34.3
97.02917	2.6
97.06531	2.7
97.10163	7.8
99.08091	3.0
105.07026	13.4
107.04937	6.4
107.08595	4.7
109.10148	23.1
111.08074	7.2
111.11724	3.3
114.01815	1.9
117.03358	23.8
117.06992	2.7
119.08597	13.7
121.05121	1.9
121.06506	2.0
121.10139	6.6
123.11695	6.6
129.07014	9.7
131.08545	6.0
133.06532	3.9
133.10127	4.2
135.04361	2.5
135.11690	2.1
137.09592	2.5
137.13255	3.8
142.07750	3.4
145.02843	44.4
147.08113	3.6
147.11638	6.3
149.05988	6.6
149.09604	3.7
157.10098	10.9
172.82817	1.9
173.11763	2.1
175.11136	9.0
177.05470	100.0
178.05899	2.4
179.14290	2.4
193.12238	26.5
214.28677	2.0
239.23701	5.8
249.14868	6.1
277.21600	6.8
385.45654	2.0
408.55682	1.8
477.93079	2.1
505.39111	57.8
506.39114	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.8
55.01873	1.8
55.05508	12.0
57.03440	1.7
57.07076	46.5
59.21711	0.7
65.03934	1.9
67.05505	29.2
69.03428	2.2
69.07066	10.3
71.04993	2.0
71.08633	31.8
79.05490	14.1
81.03418	100.0
81.06654	0.5
81.07054	30.0
83.04988	3.2
83.08617	31.8
85.06536	1.4
85.10183	17.1
91.04902	0.9
91.05474	17.6
91.06000	1.0
93.07036	9.5
95.04968	30.0
95.05561	1.7
95.08605	30.9
97.02903	1.9
97.06526	1.4
97.10164	8.1
98.21497	2.6
99.08112	1.2
101.92625	0.7
105.07020	12.5
105.53687	0.8
107.04955	6.2
107.08598	3.4
109.06541	1.9
109.10155	15.9
111.04443	1.9
111.08079	7.9
111.11727	2.0
113.00056	1.2
115.05501	2.2
117.07056	1.5
119.08589	11.2
121.06518	3.0
121.10131	5.7
123.04423	1.9
123.11718	7.6
125.13299	0.9
128.06207	1.3
129.07007	9.1
131.08551	9.9
133.06488	3.3
133.10130	3.8
135.08028	0.9
137.09642	1.8
137.13257	3.4
142.07803	2.9
147.08066	3.5
147.11684	6.4
149.09660	4.1
157.10109	8.9
163.11322	0.9
165.12796	3.1
165.16440	0.9
175.11194	11.3
193.12244	59.7
205.12291	0.8
221.22806	1.4
239.23686	8.9
249.14838	5.8
277.21832	1.3
365.82434	0.8
393.29755	0.9
434.16293	0.8
486.47818	0.8
505.38919	77.5
506.39377	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	505.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.7
55.01875	1.3
55.05511	13.5
57.03435	1.7
57.07077	49.4
65.03947	1.6
67.05505	37.8
68.30112	1.0
69.03432	1.1
69.07066	11.0
70.84564	3.8
71.08234	2.0
71.08632	37.5
75.13721	0.9
79.05492	16.3
81.03418	100.0
81.07057	35.7
81.07435	0.6
83.04977	4.1
83.08620	33.9
85.06548	1.2
85.10184	19.0
91.05478	26.1
93.07047	11.9
95.04969	26.1
95.08606	35.0
97.02905	1.9
97.10159	8.3
99.08082	2.2
105.07023	14.0
107.04973	6.2
107.08609	5.6
109.06512	2.4
109.10157	17.7
111.04468	1.5
111.08091	6.8
111.11722	2.3
117.07043	1.4
119.08576	12.0
121.06511	2.6
121.10135	5.9
123.08113	1.8
123.11720	6.2
127.16261	0.9
128.06181	1.0
129.06996	11.1
131.08568	8.4
133.06522	4.1
133.10159	4.9
135.11690	1.3
137.09639	2.4
137.13310	3.6
139.14850	1.1
142.07762	2.9
145.10188	1.2
147.08101	3.3
147.11647	6.5
149.09644	4.3
157.10146	8.9
161.13376	1.2
165.12730	2.9
175.11166	11.2
179.14313	7.0
193.12244	57.0
221.22742	1.2
221.67403	1.0
231.13913	1.2
239.23674	10.1
249.14977	6.8
259.20602	1.3
277.21716	3.9
412.82483	1.1
505.38986	78.3
506.39035	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13367	1.6
53.03943	6.0
55.01861	4.7
55.05260	2.7
55.05514	38.0
57.03437	5.7
57.07076	52.6
58.57940	1.5
59.04996	1.9
65.03929	3.8
67.05506	78.1
69.03423	5.2
69.07070	22.6
70.64681	2.5
70.65031	4.9
71.04989	3.9
71.08632	39.2
79.05496	45.1
81.03418	100.0
81.07055	61.6
82.03744	2.3
83.04993	4.3
83.08618	53.6
85.06539	3.7
85.10185	22.2
91.05480	40.6
93.06474	2.8
93.07044	37.4
95.04960	33.0
95.08609	53.6
97.02843	2.1
97.06525	2.8
97.10163	37.7
99.08105	2.2
102.57378	1.7
105.07032	32.2
107.04963	5.5
107.08585	22.7
107.09224	2.9
109.06519	2.8
109.10162	38.1
111.08077	10.7
111.11692	2.4
115.05442	3.3
117.07025	6.4
119.08572	23.8
121.06490	3.7
121.10155	19.3
123.08082	3.0
123.11681	10.9
125.09618	23.4
125.13286	2.3
128.06165	3.7
129.06992	15.2
131.08575	16.9
133.06516	3.5
133.10138	14.7
135.08058	2.3
135.11716	10.8
137.09636	2.4
137.13254	3.5
142.01561	1.7
142.07773	2.9
145.10149	5.4
147.08060	2.9
147.11699	13.9
149.09630	5.2
149.13248	5.1
157.10121	11.7
159.11732	4.8
161.13264	7.4
165.12752	2.8
171.10176	3.2
171.11543	3.3
173.11723	5.6
173.13251	5.6
175.11203	10.9
175.14810	3.4
185.13310	3.2
187.14825	2.2
189.11223	27.0
189.12737	3.1
193.12239	63.4
200.66763	1.8
221.22720	1.6
227.12787	14.0
229.14296	9.2
229.38921	2.0
231.13887	1.7
239.23795	12.2
241.19626	4.4
243.21156	2.2
245.13702	2.3
249.14920	7.7
259.18149	2.2
259.20474	11.1
261.22198	10.8
269.89960	1.7
317.24673	2.1
333.24228	4.8
431.30554	1.8
487.34183	3.9
505.39417	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	505.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	15.3
56.78271	1.8
57.03436	6.2
57.07077	2.0
59.04988	3.1
65.03934	3.1
67.05508	100.0
69.07072	8.9
71.04974	4.0
71.08624	2.5
79.05492	26.1
81.03433	3.2
81.07058	33.5
83.08608	8.1
85.06549	3.3
91.05478	27.2
93.07050	28.2
95.08611	17.9
97.06518	2.2
97.10158	3.5
98.20770	4.1
99.08083	4.3
100.68782	1.8
105.07026	23.8
107.08590	17.5
109.10154	63.4
110.93105	2.0
117.06998	5.6
119.08583	26.0
120.59040	1.8
121.10120	10.4
123.11711	2.3
125.09605	3.0
129.07019	4.9
131.08595	9.6
133.10120	22.0
135.11670	12.9
137.09651	2.3
143.08603	3.0
145.10120	7.7
147.11690	24.6
149.13266	5.5
150.45778	2.1
151.11316	1.8
155.10625	2.2
157.10150	4.5
159.11699	9.9
161.13271	16.3
163.11096	3.1
171.11714	5.4
173.11734	18.9
173.13272	6.3
175.14856	7.1
179.14377	3.5
185.13257	7.4
187.14867	2.2
189.11288	2.2
193.12158	1.8
199.14784	3.5
227.12773	3.5
229.14334	37.6
231.20984	4.5
241.19522	15.7
259.20578	37.3
261.22055	2.2
277.21671	5.1
297.22211	2.0
315.23187	2.5
333.24265	18.6
487.34238	5.5
499.35281	1.9
505.35168	8.6
525.57227	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89461	1.4
53.03943	2.3
55.01864	1.6
55.05512	15.4
57.03426	9.6
57.07061	1.9
58.80669	1.1
59.04992	4.9
61.28839	1.1
65.03937	3.7
67.05502	100.0
68.05817	2.0
69.07076	7.6
70.84222	2.1
70.84561	1.5
71.04983	3.7
71.08615	1.1
79.05495	25.1
81.03405	1.5
81.07055	32.2
82.07368	1.3
83.04974	1.6
83.08611	9.2
85.06536	4.2
91.05475	35.0
91.06013	2.3
93.07042	32.6
95.04964	4.1
95.08605	17.6
97.06528	2.0
97.10162	3.3
99.08074	1.5
105.07028	29.4
107.08592	14.2
109.06506	1.8
109.10154	74.9
110.10510	1.3
111.08076	4.2
117.07013	8.5
119.08578	30.8
121.10125	12.0
123.11719	1.7
125.09650	2.8
129.06990	6.0
131.08539	10.6
133.10120	17.9
135.08000	1.7
135.11693	9.0
137.09605	3.3
141.07060	1.1
143.08586	5.6
145.10127	12.2
147.11696	27.3
149.09685	1.3
149.13283	7.2
151.11107	1.6
155.10695	4.9
157.10158	4.7
159.11691	9.6
161.13271	16.1
163.14801	2.9
171.11694	6.6
173.11740	22.4
173.13274	4.2
175.14827	9.7
185.13188	6.4
187.14851	2.4
189.11224	1.5
197.13269	1.2
199.14865	2.4
213.16475	1.9
215.17953	2.1
217.15929	1.2
217.19516	1.3
227.12729	5.4
229.14348	47.6
230.14720	2.6
231.21025	6.3
238.23358	1.2
241.19490	21.3
259.20578	48.3
260.20804	1.2
261.22211	1.5
277.21628	1.4
315.23175	3.2
333.24194	22.0
413.30240	1.7
487.34146	6.9
488.36856	1.4
505.35190	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	505.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03920	11.8
53.03939	21.6
53.04480	13.1
54.09371	12.7
55.05499	30.2
56.96566	13.4
57.07063	20.8
67.05486	47.0
69.03415	35.7
69.07055	52.0
70.14440	67.8
79.05483	57.3
81.07054	100.0
85.02895	25.9
88.20592	12.6
89.48014	14.9
91.05457	38.2
93.07031	57.8
95.04948	32.3
95.08600	67.2
97.06506	41.9
105.06979	26.4
107.04940	21.8
107.08585	40.1
109.06516	14.2
109.10138	33.7
117.06985	24.7
119.08537	25.7
121.10114	42.0
123.04415	38.4
125.05933	16.9
131.08524	19.5
133.10147	20.0
135.08078	18.4
135.11681	24.1
137.05952	34.7
145.10091	27.2
147.04399	20.1
149.13147	16.9
157.10083	15.2
163.03780	14.2
163.07581	14.0
167.07010	53.1
175.07521	16.4
181.04964	16.7
191.06990	29.7
201.09033	24.3
205.49648	16.0
269.11804	14.1
289.25281	13.5
307.26434	14.8
343.80127	13.4
364.24643	14.5
407.85947	14.6
493.27567	15.9
511.80457	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	505.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.3
55.05511	18.9
57.03432	13.8
63.83375	3.6
65.03934	6.7
66.79345	4.2
67.00478	3.6
67.05171	6.5
67.05508	88.6
69.07065	15.1
71.04998	4.6
71.59109	6.0
79.05494	100.0
81.03413	14.3
81.07048	62.6
83.04988	13.0
83.08610	9.1
85.06537	6.1
91.05473	78.6
93.07044	88.8
95.04962	36.1
95.08599	35.3
97.06548	6.9
97.10208	7.3
105.07024	60.2
107.04944	7.2
107.08585	29.6
109.06531	4.2
109.10152	20.2
111.08109	3.7
117.07020	11.5
119.08572	42.8
121.06538	4.8
121.10172	7.6
123.08060	7.8
129.07039	20.4
131.08536	9.0
133.10086	20.4
135.11708	5.8
137.09596	4.5
143.08580	9.4
145.10112	19.8
147.08066	4.8
147.11696	52.8
161.09608	4.2
161.13289	19.9
171.11678	46.5
179.14400	7.2
180.91373	3.7
189.12735	16.4
207.13800	39.2
220.12891	3.9
225.14854	5.5
228.53357	4.0
229.14369	8.8
281.17450	58.2
333.23981	5.2
487.30478	56.1
497.04663	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01607	3.0
53.03947	11.3
55.05504	28.2
56.06044	2.3
57.03437	9.9
59.49705	2.6
61.02913	2.6
65.03954	4.6
67.05504	81.0
69.07055	15.1
69.84074	13.5
69.84489	6.2
71.08648	4.8
79.05492	100.0
81.03417	11.2
81.07053	60.0
83.04994	17.1
83.08621	8.3
85.02930	2.9
91.05474	80.8
93.07043	94.0
95.04970	32.8
95.08605	35.4
97.06526	5.7
97.10178	3.4
99.08083	3.8
105.04517	3.3
105.06377	2.4
105.07025	58.0
107.04986	8.8
107.08596	21.6
109.06521	8.0
109.10149	16.0
111.08127	3.2
117.06985	13.0
119.08577	28.5
121.06457	3.9
121.10165	6.0
123.08066	8.7
125.09679	3.2
128.06247	4.8
129.07016	28.9
130.09785	2.3
131.08586	6.3
133.10136	18.5
135.11722	4.0
143.08562	13.2
145.10109	11.5
147.11684	53.2
149.01250	6.2
156.03616	3.4
156.53764	2.6
156.99455	2.6
159.11742	2.5
161.09654	8.0
161.13274	22.8
163.11230	4.0
171.11678	45.0
179.14345	7.2
184.07368	7.6
189.12822	18.5
207.13791	43.5
225.14880	9.1
249.18533	3.1
259.20612	4.6
263.16373	3.3
275.54898	2.8
277.21570	5.0
277.63998	4.1
281.14633	5.2
281.17517	57.1
358.16376	5.6
358.66553	11.7
359.16507	7.3
413.60748	2.6
486.59012	2.8
487.30496	52.1
505.35132	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	505.1916
Annotation	Tinosinen
Peak:m/z	Relative Intensity
55.01861	7.4
57.03433	13.8
57.07087	35.2
61.02926	7.3
67.05500	10.2
69.03433	22.8
69.58231	29.4
69.58644	17.4
70.06582	8.1
75.38103	5.4
81.03422	8.1
81.07053	15.8
83.04992	8.5
85.02905	47.5
85.06551	31.9
89.78680	5.2
94.95728	5.6
95.04942	8.0
97.02892	26.4
98.97641	5.8
100.12448	6.4
107.04945	10.8
115.03931	12.3
117.06968	6.9
119.04880	6.7
119.08674	6.0
121.10212	5.7
123.04480	8.3
123.11810	6.2
127.03903	9.2
131.04932	7.1
135.08066	8.6
147.04460	24.6
150.24371	6.8
151.03909	15.8
156.70546	5.5
161.06113	8.4
163.03946	6.8
167.07050	45.8
173.06009	13.2
175.07526	7.8
177.05513	14.0
181.04982	22.9
187.07495	7.0
189.05510	7.5
189.09132	30.6
191.07056	8.1
193.05064	7.2
193.08591	10.7
201.05382	8.9
201.09016	7.5
203.07060	12.3
205.05019	14.9
205.08537	29.9
211.09679	22.7
217.05145	8.6
217.08661	43.5
222.38235	5.9
223.09685	25.6
229.08620	12.0
233.08279	8.0
235.06039	7.4
235.09650	100.0
243.10199	9.2
247.09772	15.2
253.10759	77.5
259.09814	12.1
271.09634	19.0
277.10718	49.0
283.09747	9.8
286.07361	5.4
289.10742	31.7
301.10751	19.2
307.11676	33.7
319.11771	24.8
331.11679	16.6
337.12915	14.9
343.13831	6.0
355.14136	11.0
385.13181	8.6
505.16919	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	505.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
55.05492	0.8
61.63847	0.7
64.53909	0.6
65.03923	1.8
67.05496	2.9
69.03415	1.7
69.07051	2.3
70.06582	1.2
70.84792	1.1
70.85168	1.1
71.04993	0.7
78.04710	2.9
79.05467	3.0
79.66042	0.5
81.03414	1.2
81.07033	4.1
82.04218	1.1
83.04985	0.6
84.89187	0.6
85.02908	2.9
85.06528	2.3
91.05474	3.3
93.03394	0.8
93.07030	1.8
95.04963	2.8
95.08602	3.0
97.02866	0.8
97.06532	1.9
103.05445	1.9
105.07019	1.8
106.04181	2.1
107.04955	3.8
107.08588	1.8
109.06539	1.1
109.10139	2.5
111.08060	0.9
111.66978	0.6
115.05452	3.6
116.06263	0.7
117.07013	6.8
119.04950	1.5
119.08542	1.1
120.05748	0.7
121.10130	1.7
123.04426	6.7
123.11694	2.4
124.05214	2.1
125.05997	0.7
127.05431	1.3
131.04916	1.1
133.06493	1.2
135.04431	1.0
135.11652	1.1
137.02324	0.8
137.05989	5.4
145.06487	11.1
147.04385	1.5
147.11699	1.1
148.05183	1.1
149.05882	0.7
151.03877	1.8
151.07536	1.8
151.11151	0.7
152.04695	1.7
153.05418	0.7
155.06032	2.4
161.05969	1.4
165.05479	4.0
167.07034	100.0
168.07343	1.1
171.06528	2.2
173.05978	14.3
175.07561	1.8
177.05469	1.2
181.04955	32.9
187.07610	1.0
191.07018	0.9
203.07019	4.1
205.08589	3.9
209.08025	1.4
210.09056	0.7
215.18027	1.1
220.07323	2.4
231.06447	0.8
233.08061	6.0
233.18884	0.8
235.09737	3.9
251.20067	1.7
255.08661	8.5
269.06631	1.1
321.09827	1.3
325.10822	0.9
355.11591	0.9
385.12766	3.0
386.13516	2.0
398.13498	1.1
416.14539	2.5
417.15573	1.0
429.15549	1.1
475.16013	13.2
505.17004	40.7
506.17017	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81441	0.8
53.03945	1.1
54.43007	0.8
55.01881	1.9
60.23310	0.9
64.97566	0.9
65.03933	5.2
67.05503	3.0
68.43336	1.0
69.03429	2.5
69.07070	2.3
70.06603	2.1
71.58759	1.3
78.04701	1.9
79.05495	5.1
81.07066	5.0
82.04189	1.7
83.05012	1.0
83.11732	0.9
85.02912	4.1
91.05463	5.9
93.03407	1.1
93.07057	2.7
95.04970	3.2
95.08611	3.2
97.02905	1.6
97.06548	3.7
103.05464	12.4
105.03426	1.1
105.07048	4.0
106.04170	0.9
107.04961	9.1
107.08608	2.2
108.02062	1.1
109.06532	2.1
109.10174	1.6
110.03693	1.6
111.04439	1.5
115.05463	4.3
117.07008	6.5
118.04185	2.6
119.04938	3.1
119.08604	2.6
121.06493	2.1
121.10101	1.2
122.03632	1.0
123.04416	6.8
123.11729	1.3
124.05259	2.8
125.06008	2.4
127.05482	1.1
128.06247	1.5
130.04155	2.1
131.04924	11.2
131.08583	0.9
133.02864	1.2
133.06505	3.0
134.03650	1.8
135.04420	1.9
135.08089	1.3
135.11681	1.1
137.05977	7.3
138.03191	1.4
142.02608	1.7
145.06487	11.5
145.10181	1.5
146.03659	1.0
147.04431	2.6
147.08067	1.6
148.05209	7.9
149.05978	2.0
151.03918	2.2
151.07559	2.9
152.04723	2.4
153.05527	3.5
155.06015	2.1
160.05215	0.9
161.06030	2.3
163.07559	10.4
165.05493	4.3
166.06194	1.0
167.07036	100.0
168.07475	1.0
171.06580	3.7
171.66733	0.9
173.05991	14.3
175.07579	2.6
176.04666	1.5
177.05487	2.5
178.76555	0.8
179.07019	1.3
181.04961	56.9
185.06024	0.9
187.07491	1.5
189.05511	1.3
191.07034	29.7
191.84959	1.0
193.08604	1.1
203.07072	3.6
205.05118	1.3
205.08603	4.2
207.06432	1.6
209.08131	2.5
220.07393	3.2
223.06107	1.4
233.07944	6.4
235.07614	1.7
235.09683	4.5
245.15836	2.1
255.08638	9.6
269.06448	5.4
279.08664	2.5
293.08124	0.9
301.08841	0.9
311.09558	1.0
321.10071	1.2
329.09583	0.9
355.11426	1.4
370.05502	0.9
372.63986	1.0
385.13004	4.7
386.13574	2.0
398.13608	1.2
416.14822	3.6
417.15451	1.3
429.15759	2.4
475.16022	13.3
505.17145	39.6
505.24963	4.8
505.32639	1.9
506.17682	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02346	0.5
53.03943	5.1
55.01870	7.1
57.03440	5.1
61.02926	4.0
61.71974	0.5
66.04221	0.5
68.99782	2.8
69.03429	32.6
69.36953	2.4
69.37383	3.3
71.01350	1.0
71.05000	3.9
71.43465	0.5
73.02919	6.7
79.05478	2.5
81.03416	29.9
81.07063	0.6
83.04957	0.8
85.02904	60.7
87.00829	20.2
89.69325	0.6
91.03961	1.1
91.05477	11.3
95.04954	1.8
97.02890	16.3
98.20710	1.0
99.03832	1.0
99.04454	11.4
101.02410	0.8
102.50552	0.6
103.03937	1.8
103.05457	2.6
105.01180	1.1
105.01865	16.7
105.07033	18.1
107.04955	9.2
108.05781	0.6
109.02878	29.9
109.06504	0.8
111.04434	5.0
115.03926	1.0
115.05428	0.9
117.01843	2.0
117.07005	0.9
119.04938	10.2
120.05701	0.8
121.02866	2.3
121.06502	8.5
124.05260	1.6
125.05974	0.7
127.03915	50.7
129.01834	5.5
129.06982	1.2
131.04910	1.6
133.06490	24.1
135.04395	2.6
135.08067	3.9
137.05978	8.5
138.06754	1.6
139.07526	1.3
145.04945	12.2
145.06494	5.1
147.02905	3.4
148.05222	1.0
149.05983	4.6
151.07588	4.6
153.07022	1.2
157.06490	2.2
159.02885	15.8
159.08058	1.5
163.07521	2.8
164.08311	1.7
165.06995	3.1
166.07861	1.1
167.08517	1.4
171.02881	1.0
171.08127	0.8
177.03835	0.9
177.07085	0.8
177.08905	0.7
178.07730	1.0
179.08580	1.7
181.06493	3.2
182.07253	4.5
183.08060	1.7
189.03966	2.6
193.06519	1.2
194.07323	1.9
195.08054	2.3
196.08760	0.9
197.06102	0.7
197.09630	5.5
199.07558	2.3
208.08899	1.0
209.09750	0.8
210.06755	4.9
211.07497	4.2
212.08432	0.9
213.03922	2.0
213.09135	1.0
224.08308	2.1
225.09126	6.4
226.09857	8.2
227.07027	2.6
227.10495	0.7
231.04976	6.5
239.10666	1.5
240.11459	1.6
241.08356	1.3
242.09346	10.7
256.10977	1.1
257.11719	100.0
258.12131	1.4
267.10245	0.9
269.11642	3.9
281.11694	2.1
299.12762	3.9
323.12827	0.8
328.61337	0.6
365.13605	1.3
505.20035	1.1
505.27377	0.9
525.17706	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.17
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.3
63.47566	0.2
65.03939	1.8
67.05505	0.3
69.03402	0.2
70.49351	0.4
70.49747	0.6
79.05492	0.7
81.03416	0.4
81.07056	0.2
85.02918	0.3
86.10722	0.2
87.00826	0.3
91.05476	59.8
92.05821	0.6
93.06989	0.2
95.04968	0.4
95.08609	0.2
98.19618	0.2
102.04776	0.3
103.05470	1.3
105.07024	22.9
106.07287	0.2
107.04954	0.8
109.02863	0.3
109.06519	0.2
111.04410	0.3
112.91086	0.2
115.05448	25.2
116.06281	0.2
117.07021	2.1
121.06498	0.8
123.04417	5.7
125.06024	0.3
127.03915	0.3
129.06975	1.4
131.04944	0.6
133.06480	2.5
135.04346	0.2
137.05962	4.6
137.06940	0.4
141.07001	0.5
147.04413	0.5
149.05977	2.3
151.03859	1.1
151.07512	0.4
153.05469	1.9
153.06856	0.3
155.08574	0.2
161.05975	9.8
165.05540	0.2
165.06981	0.7
167.08653	0.2
168.09325	0.3
178.07768	1.6
179.07014	0.6
179.08527	5.5
181.06470	0.9
181.10234	0.3
195.07991	0.2
196.08806	1.9
206.07262	0.4
207.08037	1.9
208.08812	3.3
209.05928	0.3
209.09505	0.3
211.07816	0.2
211.11186	3.0
221.09598	0.8
223.07440	1.0
224.08318	5.4
225.08641	0.2
239.10649	51.9
240.10960	1.2
257.11707	100.0
258.12064	2.5
309.10086	0.2
334.87808	0.2
428.97885	0.2
437.10394	0.2
448.17450	0.2
505.27621	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	505.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.97805	0.2
65.03931	1.5
69.53056	0.2
69.59660	1.4
79.05489	0.6
81.07054	0.2
85.02908	0.2
88.55566	0.2
91.05476	59.6
92.05815	0.4
93.06994	0.2
95.04971	0.5
98.20702	0.3
103.05479	1.1
105.07026	19.5
106.07341	0.3
107.04933	0.6
115.05449	23.3
116.05757	0.3
117.07001	1.5
118.75368	0.2
119.08492	0.2
121.06503	1.0
123.04423	5.5
125.05989	0.4
129.07018	1.7
131.04955	0.7
133.06491	2.6
135.04350	0.2
137.05977	3.8
137.06984	0.1
141.06921	0.2
147.04448	0.4
149.05992	1.7
151.03883	1.1
153.05402	1.2
161.05975	9.6
165.06955	0.3
178.07768	1.3
179.07027	0.7
179.08530	4.7
180.09261	0.3
181.06496	0.7
181.10156	0.6
193.10118	0.3
196.08836	1.6
205.06641	0.2
206.07281	0.4
207.08037	1.6
208.08817	3.0
209.05998	0.3
211.11169	2.7
221.09718	1.0
223.07513	1.3
224.06329	0.2
224.08301	4.8
237.09090	0.4
239.10652	47.7
240.11021	1.4
248.05972	0.2
257.11707	100.0
258.12088	2.3
301.40961	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	505.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03901	0.8
55.05470	0.8
57.03407	1.0
65.83047	0.6
67.05502	9.0
68.99744	2.2
69.91830	4.1
71.08578	0.8
78.04646	0.7
79.05502	3.4
81.03360	0.8
81.06992	2.5
86.09666	0.9
91.05474	8.1
93.06985	2.2
95.04907	0.9
95.08562	1.5
99.08009	0.9
102.04671	6.3
103.05418	2.7
104.04385	0.6
105.07025	6.1
107.04930	1.2
107.08586	1.8
109.10141	4.1
115.05415	1.3
118.04111	2.0
119.04926	5.5
119.08527	2.2
121.10089	0.7
129.06949	0.8
130.04137	9.4
131.04907	5.6
132.05614	2.3
133.06491	4.5
135.04317	1.8
135.11609	1.0
137.05934	1.1
137.90240	0.7
140.06142	2.6
141.07016	0.8
144.05676	0.7
146.03627	12.4
147.03404	0.9
147.04404	12.6
147.11610	0.7
151.07547	11.3
151.11095	1.0
152.06187	4.4
153.01811	0.7
153.06914	2.5
161.05963	16.2
161.13229	1.0
162.05508	1.2
162.06754	18.5
168.05704	13.5
169.06371	1.4
170.02048	2.7
171.08049	7.0
173.11700	1.2
183.08038	10.1
184.05174	1.0
184.07130	0.8
196.05135	2.0
197.05911	2.4
199.07523	2.2
211.07512	7.9
212.04514	0.8
213.05438	2.6
224.04709	1.6
225.05319	0.7
227.07021	5.1
229.08493	3.0
229.14296	1.2
237.05328	0.9
239.07036	8.0
240.07767	4.9
242.05705	1.3
252.04158	2.3
253.04892	1.8
255.06532	5.5
256.07162	2.8
259.20563	0.9
267.06497	19.4
268.06989	1.0
269.04663	1.4
270.05167	1.6
277.21570	2.0
282.05209	2.3
283.05939	7.6
284.06750	5.8
285.07553	35.8
295.05945	8.4
313.08755	0.8
321.07605	5.2
333.24481	0.9
341.07996	1.2
342.08691	1.7
357.11365	1.3
367.09738	1.4
369.07394	1.0
370.08359	3.7
385.10727	7.5
395.09125	0.9
398.07962	3.4
412.39944	0.7
413.10165	100.0
413.44797	0.8
414.10526	4.3
429.95599	0.7
430.10187	0.9
445.12820	46.0
446.13187	1.0
467.33963	0.7
505.14905	35.0
505.35181	2.1
506.15436	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.0
57.09670	1.0
60.69286	0.8
67.05489	2.9
71.59107	1.6
71.59475	0.9
79.05481	1.6
81.07040	2.9
91.05467	3.1
94.04176	2.9
105.07047	1.6
107.04959	2.2
109.06525	6.6
109.10154	1.7
119.04941	1.0
122.03641	6.6
128.81543	0.8
130.04111	1.1
133.06503	1.4
135.04422	1.1
137.05972	75.0
138.06367	0.9
138.16615	1.0
146.03685	1.6
147.04431	5.0
161.05992	2.5
162.06773	3.0
222.43607	0.8
231.45226	1.0
266.05783	1.1
278.05652	1.6
283.05844	1.8
284.06693	5.0
285.07578	1.8
293.07919	1.1
294.05090	1.5
295.05911	2.2
298.04669	1.1
307.05984	1.0
309.07516	8.2
320.75977	0.9
321.07571	4.8
327.10147	1.5
341.08124	3.0
342.08893	1.2
345.11258	1.0
353.08047	1.4
356.10504	3.0
357.11270	1.0
359.09070	2.4
367.09470	2.6
369.07474	2.6
370.08362	3.7
373.10590	3.8
383.09094	2.0
384.09955	3.7
385.10715	5.0
387.08371	1.9
395.09164	2.6
398.07727	1.6
399.12103	2.6
401.10159	4.0
402.10925	1.2
412.09546	4.3
413.10135	21.0
414.10339	1.2
417.09427	1.4
427.11749	6.8
429.09561	4.2
430.10449	15.8
433.12790	2.5
445.12830	100.0
446.12994	3.1
463.13910	22.7
485.83319	0.9
505.14911	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85252	0.4
53.03938	1.1
55.01866	1.1
57.07020	0.7
61.02912	0.7
67.01850	3.2
67.05491	1.4
68.99779	3.3
69.03446	3.0
69.07059	1.2
71.58456	0.7
79.05476	3.0
81.03409	2.9
81.07050	1.8
83.04966	0.6
83.08601	0.6
85.02893	4.8
85.06485	0.6
87.00806	2.2
91.05474	2.7
93.07027	2.3
95.04949	1.3
95.08578	1.9
97.02894	2.3
97.06526	1.4
99.04464	0.6
103.05467	7.5
105.01848	1.2
105.03349	0.8
105.07005	1.7
107.04927	1.8
107.08575	0.6
109.02873	1.7
109.10105	0.8
115.05450	0.5
117.07000	1.1
119.04959	0.5
119.08556	1.5
121.06528	0.8
121.10135	1.1
123.04411	2.1
125.02341	0.9
127.03168	0.5
127.03935	4.2
129.01817	1.8
131.04929	18.9
131.08580	0.6
133.10152	0.9
135.11671	0.5
137.05981	1.4
145.04953	0.9
145.06461	1.0
145.10136	0.6
147.11681	0.6
149.09557	0.5
151.03970	1.3
151.07481	0.5
153.01825	54.2
154.02061	0.5
157.10013	0.8
159.02885	1.5
159.11604	0.7
165.05502	0.7
166.44958	0.5
167.07033	8.6
171.02885	36.5
173.05972	2.2
175.07512	0.7
179.03416	0.8
181.05020	3.2
183.02928	0.6
191.07002	1.0
192.04117	0.5
195.02821	0.7
205.08595	0.5
215.07004	1.5
255.08620	0.7
257.08081	100.0
258.08444	2.1
261.04095	0.7
299.09079	1.0
365.10464	0.6
377.19296	1.8
416.14539	0.7
477.16086	0.6
487.29694	0.7
505.16785	2.8
505.24084	3.6
505.30630	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.4
54.77219	1.2
55.01867	2.4
57.03434	8.9
61.02921	2.4
67.05489	1.1
69.03431	9.1
69.07080	1.0
69.41338	10.3
70.06579	1.8
75.04485	8.1
79.05502	1.6
81.03427	6.8
85.02900	16.9
86.09724	1.1
87.00821	8.8
88.02164	1.8
93.07051	1.1
97.02893	9.9
99.04450	3.1
103.05479	2.5
104.06252	2.7
105.01865	4.6
105.07035	14.3
105.42524	0.9
107.04933	3.0
108.65072	0.9
109.02863	7.2
109.06425	1.0
111.85690	1.1
116.05282	1.1
117.01875	1.5
117.07040	1.1
120.08096	2.9
121.06499	1.1
123.04443	3.0
124.05218	14.0
127.03924	10.0
131.04932	2.5
132.05707	5.2
133.06496	12.1
135.04379	2.4
137.05969	23.9
145.05006	3.4
147.08046	1.5
149.05937	1.5
150.06758	42.7
158.17935	1.0
159.02922	3.1
161.05962	2.1
162.06770	2.0
163.07533	5.8
164.08380	1.5
165.09113	100.0
191.10632	1.5
193.66444	1.0
203.10689	4.7
221.11751	9.5
231.05069	2.5
231.64731	1.1
239.12773	80.3
240.13145	1.2
285.07715	1.3
300.06509	1.6
325.07126	1.3
342.13303	2.0
345.29922	1.2
352.29282	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
53.35298	0.4
55.01867	0.9
55.05496	0.7
66.70275	0.5
67.01858	2.7
67.05485	1.4
68.99792	2.0
69.03419	2.2
69.07053	0.9
69.88940	1.2
69.89355	1.5
73.02914	0.6
76.00554	0.4
79.05488	1.3
81.03415	2.3
81.06645	0.4
81.07058	3.2
85.02903	5.5
85.03385	0.7
87.00822	1.7
91.05449	2.8
93.07037	4.9
95.04965	1.0
95.08624	2.5
97.02885	1.3
98.86951	0.5
99.04438	1.0
103.05473	5.6
105.01854	1.6
105.03403	0.6
105.07037	2.5
107.04928	1.4
107.08575	2.0
109.02864	2.4
109.10135	2.4
111.00767	0.6
111.08049	1.2
119.08560	1.6
121.02808	0.5
121.10142	1.3
123.11668	0.8
127.03919	3.0
127.56438	0.5
129.01848	1.1
131.04929	17.2
133.10139	1.3
135.11705	2.7
137.05937	0.9
145.04961	1.2
147.11684	2.0
151.03860	0.9
153.01822	49.5
159.02855	1.3
161.13258	0.9
171.02884	35.0
173.05998	1.2
179.03363	0.6
191.07042	0.6
195.02914	1.2
203.17934	2.1
215.06964	1.4
219.02908	0.6
231.05092	0.6
239.06990	0.5
257.08081	100.0
299.09299	0.9
315.91525	0.5
365.10202	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3344
Annotation	Val Thr Lys Arg
Peak:m/z	Relative Intensity
52.48615	0.9
55.05505	1.3
67.05504	2.3
69.68314	2.0
69.68731	3.7
71.08598	0.8
79.05471	1.3
81.03396	1.0
81.07072	1.6
90.57697	0.8
91.05500	1.0
95.08607	1.4
107.08566	1.0
119.08529	0.9
133.08675	0.8
167.05658	0.9
185.50400	0.8
258.67166	1.0
354.59369	1.0
367.71082	0.8
503.33420	100.0
504.33856	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.4
55.01868	3.1
55.05512	47.3
57.03426	3.0
57.07079	13.9
65.03952	2.0
65.94318	1.1
67.05172	2.3
67.05505	30.2
67.84533	1.0
69.03426	3.6
69.07069	54.0
70.26675	4.3
71.05004	2.4
71.08630	12.9
79.05491	19.4
81.03418	100.0
81.07057	25.6
82.03735	1.3
83.04979	3.4
83.08619	62.5
85.06538	2.4
85.10188	4.5
91.05473	25.6
92.31657	1.2
93.07046	12.3
95.04974	29.2
95.08603	9.8
97.02912	2.2
97.06535	3.2
97.10168	35.5
98.21410	1.6
105.07035	16.8
107.04965	8.1
107.08578	8.7
109.06508	2.7
109.10175	7.0
109.90190	1.2
111.04491	2.3
111.08090	9.3
111.11703	12.3
115.05434	2.2
117.07037	3.8
119.08586	15.1
120.21445	1.1
121.06544	2.9
121.10133	7.7
123.08072	1.2
123.11684	2.5
125.13250	3.2
129.07018	12.9
131.08592	10.8
133.06485	3.6
133.10130	7.4
135.11742	2.0
137.09663	1.5
142.07761	3.4
145.10141	1.6
147.08049	1.8
147.11682	7.6
149.09630	4.7
157.10110	11.3
158.92969	1.2
159.11676	1.9
161.13315	1.4
175.11130	10.5
193.12245	35.9
237.22305	2.3
249.14909	6.3
275.20190	2.7
287.18338	1.3
469.44644	1.5
503.37396	73.6
504.37863	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	503.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.7
55.01882	3.2
55.05512	43.4
57.03444	2.0
57.07077	15.2
60.42088	1.1
62.75053	0.8
67.05148	0.8
67.05506	18.4
69.03439	2.3
69.07069	43.0
70.65427	3.4
71.05008	2.0
71.08632	11.0
71.53617	1.0
79.05495	13.6
81.03419	100.0
81.07056	15.8
81.46127	1.3
83.04994	3.7
83.08618	51.3
85.10205	4.5
91.05478	21.4
91.06007	1.5
93.07040	9.9
95.04965	25.3
95.05553	1.5
95.08617	5.0
97.02892	2.5
97.06555	1.6
97.10172	28.5
98.20863	1.0
105.07026	17.1
107.04956	8.1
107.08603	4.7
109.06528	2.5
109.10165	2.2
111.04497	1.1
111.08073	7.9
111.11706	8.7
117.07034	1.5
119.08585	11.8
121.06503	2.3
121.10151	5.5
123.08101	1.1
125.13306	2.8
128.06299	1.2
129.06990	11.6
131.08565	10.4
133.06520	3.2
133.10159	3.8
135.11685	1.0
137.09618	1.3
142.07809	2.3
145.10175	1.6
147.08076	3.8
147.11673	7.0
149.09695	3.9
157.10136	9.2
165.12878	1.6
175.11165	10.6
193.12245	35.6
201.57564	1.1
209.20256	1.0
213.27884	1.2
231.13794	1.5
237.22145	2.6
248.77789	1.1
249.14880	6.6
267.16037	1.4
429.33414	1.1
452.95282	1.3
458.23529	1.3
503.37521	64.5
504.37524	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25798	1.1
67.05483	4.8
69.07042	1.4
71.04040	2.8
79.05494	1.3
81.03420	2.2
81.07059	4.4
83.08625	2.0
95.08605	1.4
131.08585	1.4
157.10118	1.3
163.11247	1.3
167.37621	1.0
343.04022	1.2
503.33386	100.0
504.33640	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43928	3.2
50.72550	3.4
51.25913	4.3
53.91549	3.4
55.05503	6.1
56.97009	4.0
57.03402	5.0
62.74393	3.6
63.49378	3.9
67.05504	21.0
69.03429	5.7
69.07066	63.8
69.60494	30.6
75.75612	4.3
77.56358	3.8
79.05494	19.1
81.07052	87.0
83.08603	5.0
85.02880	11.5
85.06544	7.5
91.05460	15.0
93.07043	77.1
95.04948	15.0
95.08608	57.8
97.06506	13.2
97.10177	6.9
105.07012	20.9
107.00092	3.9
107.08588	24.2
109.06500	11.3
109.10156	28.8
111.08065	5.5
111.11651	7.1
111.20496	4.0
117.07032	5.9
119.08567	15.2
121.10152	58.3
123.11710	100.0
125.09651	6.0
131.08521	10.7
133.10106	12.0
135.11717	23.9
137.05962	11.0
137.13269	6.9
139.11180	17.4
143.08630	4.0
145.10136	9.9
147.11667	14.1
149.09660	5.3
149.13261	10.8
157.10202	5.5
159.11667	11.7
161.13298	7.7
165.12801	4.7
167.10664	19.7
173.13190	5.7
175.14793	10.5
187.14832	5.9
195.13707	4.8
213.16370	4.3
251.21988	4.0
269.22702	8.3
287.23679	6.1
287.88474	3.8
305.24817	8.1
323.25693	29.1
503.20654	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	503.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81980	0.7
55.01876	0.9
57.29649	0.7
61.02918	1.1
66.23743	0.8
69.03413	2.5
69.93414	4.1
70.67813	0.7
71.29458	0.7
79.05491	2.0
81.03411	1.4
81.07069	0.8
85.02898	6.0
86.09688	1.9
86.77299	0.9
91.05438	4.4
94.04176	2.4
97.02879	2.0
98.21446	1.0
102.05546	1.4
103.05467	1.9
105.07064	5.1
109.06468	2.7
109.31498	0.8
115.05454	4.2
117.07023	0.9
119.04985	1.4
119.08612	1.5
122.03635	8.1
127.03890	1.3
128.06183	2.0
129.07010	2.0
130.04015	0.8
131.04930	2.0
131.08542	1.0
132.05699	1.0
133.06485	3.8
137.05978	100.0
137.63274	0.7
138.06358	1.1
141.06935	1.0
144.05702	0.8
145.06459	1.7
146.03670	1.1
147.04424	2.2
147.08040	3.2
149.05962	1.8
155.04846	1.0
156.05736	1.0
157.06563	1.4
159.08029	3.2
160.05186	1.8
161.05971	16.3
163.07687	0.9
165.06944	0.8
167.06979	0.9
171.08037	1.3
172.05170	1.3
175.07552	31.7
184.05199	1.7
185.06010	0.9
187.07530	8.2
189.09001	1.3
190.07779	2.7
191.08549	6.4
192.09166	0.9
198.15730	0.8
199.07545	10.8
202.07791	3.8
203.08601	6.0
204.09267	0.9
217.08548	0.9
218.07285	1.6
219.08081	12.5
220.08829	2.6
231.07997	7.6
232.08861	1.9
233.09776	1.0
236.08315	1.9
247.07503	4.9
248.08363	3.7
249.09193	0.9
251.10632	12.1
255.06535	8.5
259.07532	3.6
260.08545	1.0
261.09018	1.4
263.10660	3.8
276.07809	1.7
277.08563	2.6
279.10181	9.6
280.10898	1.3
291.10172	10.2
292.10870	2.0
293.08087	1.5
295.13153	1.3
296.10376	1.4
308.10339	1.0
311.12772	22.3
323.12814	14.3
344.97708	0.9
377.01779	1.9
395.02786	1.8
416.31552	0.9
469.06104	0.8
503.05441	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00543	0.7
53.03943	2.9
55.01867	3.3
57.03430	3.6
61.02919	1.6
69.03121	0.7
69.03425	19.4
71.04985	5.8
71.25118	1.8
72.08126	0.8
73.02915	0.9
81.03421	25.5
84.04504	2.0
85.02908	16.5
87.04489	2.1
88.24880	0.9
91.05800	2.2
97.02902	6.9
99.04438	7.7
109.02893	2.3
116.98620	1.0
117.05492	1.8
126.05498	2.2
127.03896	4.6
127.82025	0.7
133.07582	2.3
136.07553	1.0
144.06587	2.6
145.04973	2.6
161.07098	7.2
163.08658	6.3
167.05592	2.3
170.24849	0.9
178.07370	1.7
179.08157	1.6
189.06619	6.6
191.03166	0.9
191.08105	5.9
205.07892	0.9
207.07652	100.0
208.07959	1.9
229.09404	1.0
229.14288	0.8
249.08714	1.5
249.49049	1.1
287.10318	0.9
299.06119	3.1
303.05005	1.1
305.11285	2.3
323.12375	37.0
341.13434	82.5
342.13843	1.1
443.15381	1.0
478.57944	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	2.0
69.07051	1.9
70.33282	4.5
91.05466	3.9
105.07011	1.4
109.10214	1.7
115.05426	1.6
122.03661	3.9
131.08588	1.7
137.05980	51.8
139.03871	1.6
146.03670	1.5
147.04408	3.9
151.03883	4.9
158.03651	3.3
161.05989	4.2
162.06729	2.3
170.03584	1.4
171.89900	1.3
173.06012	5.3
178.07784	2.5
189.06976	2.9
193.32446	1.3
201.05467	49.9
202.05992	1.5
202.08047	1.4
205.06522	7.2
206.07181	6.0
213.05513	6.1
217.06512	4.5
218.07085	2.1
222.06735	1.9
231.06520	4.0
233.05814	6.1
234.06770	19.5
235.07512	5.6
237.05489	1.3
237.08936	1.9
245.06050	6.1
247.07571	1.9
249.05632	1.3
249.09041	7.1
250.06163	2.4
251.07079	3.6
259.07651	2.0
261.05453	2.9
262.06247	23.1
263.06897	3.0
264.07703	1.5
265.08575	5.0
266.09619	1.7
266.47937	1.3
270.70749	1.3
272.04758	1.2
273.05447	4.7
274.06369	2.4
276.07782	3.0
276.33109	1.2
276.98102	1.3
277.08591	22.8
279.06516	3.1
287.07083	3.1
289.05029	3.6
290.05707	32.0
291.09900	1.4
292.07285	4.4
293.08078	5.3
294.08856	4.1
295.09567	3.0
304.07224	2.1
305.08075	49.6
307.06366	2.2
307.09647	4.7
309.11084	3.5
316.34653	1.4
319.09607	5.8
322.08447	4.8
325.10760	15.6
337.10687	100.0
338.11032	3.0
347.69131	1.3
355.11749	7.1
359.57025	1.4
388.69235	1.4
459.21103	1.5
467.34409	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.3
62.41777	1.6
69.03412	4.2
69.92661	6.1
70.06587	3.8
72.08159	1.3
79.01845	2.9
81.03424	8.7
84.08141	4.5
85.02907	4.8
86.09703	5.8
97.02866	6.9
109.02876	4.3
125.02354	3.4
127.03931	8.6
129.10220	5.0
143.03381	5.9
153.01825	100.0
158.47412	1.5
171.02908	15.7
248.79987	1.5
297.06094	9.9
314.20337	1.6
315.07083	7.5
502.29077	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03410	1.1
70.64316	1.8
73.70457	0.9
79.01862	2.0
85.02887	2.9
86.71200	0.7
90.11222	0.8
97.02890	1.8
98.20824	0.9
113.90964	0.8
125.02336	1.7
143.03412	4.8
145.05031	1.6
153.01831	100.0
154.02211	1.3
323.03964	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	500.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.7
55.01876	2.0
55.05503	9.5
57.03410	2.0
57.07074	2.3
61.02938	1.7
64.33787	1.4
67.05508	11.4
69.03430	6.2
69.07072	10.5
71.04972	1.6
71.33082	2.5
71.33416	2.1
76.02223	2.4
77.09930	1.4
79.05509	8.8
81.03418	2.4
81.07055	11.9
83.04985	6.1
83.08626	5.6
83.40845	1.7
84.04527	3.1
85.02902	11.1
85.06561	1.9
90.05521	1.8
91.05491	12.2
93.07037	31.1
95.04979	2.5
95.08607	20.2
97.02886	4.3
97.06542	2.6
97.10187	1.9
99.04427	1.8
101.06008	2.9
105.07032	22.2
106.52663	1.6
107.08598	44.6
109.06496	4.0
109.10150	13.9
111.08080	6.2
115.61520	1.5
117.07041	2.9
119.08582	30.3
121.06493	1.5
121.10139	12.3
123.08044	2.7
123.11707	4.6
125.09581	1.7
127.03920	3.1
127.07436	1.5
130.85786	1.5
131.08556	5.4
133.06471	2.4
133.10132	37.7
135.08047	4.2
135.11690	27.5
137.09636	1.9
139.03911	5.7
142.07751	2.6
143.07027	5.8
143.08559	8.1
145.10118	8.9
147.08092	5.0
147.11679	31.1
148.08817	7.6
149.09679	3.6
149.13292	10.1
155.08488	1.6
156.09360	1.8
157.10129	5.6
158.02727	5.5
159.11705	5.5
161.09644	9.9
161.13274	8.8
162.10445	4.1
163.03943	2.2
163.11232	3.2
165.12784	3.2
170.10905	5.7
171.11697	6.7
173.13275	3.0
175.11200	2.7
175.14825	35.5
176.03706	2.3
177.12782	2.0
179.14302	1.8
183.10205	13.4
183.11664	2.8
185.11667	4.0
185.13245	39.6
186.14034	14.4
187.14803	3.8
188.12065	2.6
189.12697	7.7
193.06387	7.0
197.11726	1.7
197.13335	1.9
203.14307	46.6
204.15100	17.5
209.11714	2.1
213.16426	2.1
215.17848	1.6
223.13232	2.0
246.15044	2.5
247.13321	9.7
257.19009	5.9
261.14844	6.1
267.17337	2.6
275.20041	7.3
285.18533	13.5
303.19543	100.0
304.19891	1.9
321.20645	21.9
338.19641	2.0
353.18982	1.5
377.39957	1.5
387.91647	1.6
500.28952	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17569	0.4
55.05518	2.6
57.03436	1.1
57.07062	0.9
67.05508	7.4
69.07063	3.8
70.94757	0.6
79.05493	2.4
81.07053	8.2
83.08602	2.2
91.05482	1.6
93.07049	2.6
95.08604	6.1
97.10195	1.0
100.07530	0.4
100.38918	0.5
105.07024	1.5
105.44456	0.4
107.08601	1.3
109.10149	1.8
116.59000	0.5
119.08606	0.7
120.96626	8.7
121.10119	1.4
123.11691	0.9
133.10132	1.1
135.11749	1.0
139.94467	0.5
145.99812	4.1
163.14832	0.6
164.00833	2.4
165.60004	0.5
174.98503	1.0
176.99208	2.6
194.98727	1.0
195.00317	6.9
200.01735	1.7
201.03822	0.6
208.91786	0.6
213.00073	0.7
229.52232	0.6
285.47827	0.6
337.27307	9.3
359.25461	1.8
377.26675	2.4
439.22211	19.9
457.23248	100.0
458.23724	3.3
492.28204	0.6
500.27448	16.9
501.27768	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05263	1.1
55.05513	14.9
57.03436	11.0
57.07062	2.6
67.05503	35.6
69.07066	25.2
69.86311	6.3
70.57117	0.8
71.08616	1.2
79.05490	10.7
81.07057	42.0
83.04988	1.0
83.08624	11.1
85.06527	1.4
91.05495	6.5
93.07035	10.4
95.08607	31.3
97.06496	2.1
97.10183	4.6
105.07027	5.3
105.54041	1.0
107.08587	6.0
109.10151	11.1
111.08070	1.3
112.54675	1.0
119.08559	3.8
120.96637	90.1
121.10144	5.2
123.08057	1.3
123.11704	3.9
133.10130	5.2
135.11690	2.5
137.09644	1.3
137.13252	2.3
138.97636	2.3
141.72913	0.9
142.21339	1.0
145.99794	7.1
147.11696	2.0
148.82994	0.9
149.13232	1.2
161.13277	1.8
164.00835	77.5
174.98624	1.5
175.14969	1.3
182.00607	1.6
182.02100	1.1
195.00305	9.5
200.01686	4.7
205.03552	2.0
213.00162	1.2
214.26265	1.0
259.81073	1.0
263.23700	1.4
271.56293	1.0
314.19443	0.9
337.27374	49.8
338.27780	2.6
359.25632	14.6
377.26727	1.4
457.23230	100.0
458.23392	2.7
500.27411	32.4
501.27994	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38512	0.4
59.45171	0.4
71.36491	1.2
72.99650	0.5
75.08163	0.6
75.83436	0.4
79.05499	0.8
82.06574	0.5
85.02900	1.1
91.05457	0.5
94.04166	1.6
97.02882	0.5
98.09802	0.5
109.58936	0.6
120.06940	0.5
121.00805	0.5
122.03635	3.6
123.04476	0.5
137.05974	100.0
138.06281	1.1
147.04243	0.5
149.05913	1.0
151.03900	0.5
151.07529	0.7
153.01833	1.1
153.07039	0.9
158.10001	0.5
169.01280	0.8
179.06966	1.2
181.06528	1.6
213.09026	1.1
225.00633	0.5
237.99631	0.5
241.08589	1.2
253.08586	0.7
273.11209	4.0
285.11154	1.1
303.12170	0.7
320.13159	1.0
421.07437	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.8
53.10655	0.7
55.01862	6.1
55.05513	7.6
56.05026	1.5
57.03424	1.4
57.07057	1.6
58.45460	0.8
58.99581	7.3
67.05504	30.2
69.03426	2.4
69.07071	4.0
69.58296	5.3
69.58710	1.7
70.06586	1.4
71.04987	1.8
72.04509	3.1
72.08153	1.8
76.02224	27.9
79.05497	7.7
80.05019	1.0
81.03413	1.0
81.07053	23.4
83.04982	1.3
83.06114	3.4
83.08622	2.7
84.04500	11.8
85.01138	1.0
85.02921	1.7
86.99062	3.2
88.02205	2.9
90.05552	21.3
90.06073	1.6
91.05473	7.3
93.07043	9.6
95.04965	4.8
95.08602	40.7
97.02868	0.9
97.06527	1.7
98.20858	1.8
104.01678	8.6
105.07043	8.4
107.04999	1.2
107.08588	6.2
108.08125	1.4
109.06509	2.9
109.10149	22.9
113.04195	0.8
116.01672	15.5
117.07006	1.1
119.08580	9.0
121.10143	2.8
122.92268	0.8
123.04488	1.0
123.08076	2.9
126.05517	1.7
126.09170	1.0
127.03915	1.2
129.06596	1.6
130.03247	1.1
130.04988	3.8
130.06876	2.3
131.08598	1.0
133.10121	2.9
134.09651	2.6
135.11670	1.2
137.09599	3.4
139.03941	5.7
139.05780	1.5
141.04839	0.9
142.03192	4.4
143.08218	1.3
147.04388	1.4
147.05676	0.8
147.08081	0.8
148.11162	0.8
151.14819	16.6
158.02710	52.7
161.05994	0.9
161.13286	8.6
163.03883	1.7
170.02701	1.3
173.06059	1.0
175.05399	6.7
176.03767	27.2
178.15938	1.3
179.14311	23.8
181.06195	0.8
187.05370	3.2
193.06419	100.0
203.14276	1.1
207.41734	0.9
215.04846	1.8
230.08430	1.3
233.05888	11.2
236.14702	2.5
237.13113	3.4
241.06470	1.4
247.11258	1.6
254.15712	1.3
259.07373	1.9
259.09805	1.1
277.14429	1.7
290.17517	1.6
304.09650	1.2
305.08002	1.5
322.10629	6.5
326.55573	0.8
353.18912	20.6
371.20285	0.9
393.18381	1.9
411.19421	11.4
467.48688	0.8
482.23312	5.6
496.20645	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.6
55.01866	6.5
55.05308	3.3
55.05510	35.6
57.03437	28.3
57.07075	10.3
61.02925	50.9
65.03912	4.7
67.05503	90.0
69.03426	33.8
69.07064	38.6
70.11511	6.1
70.11912	11.6
71.01354	4.3
71.04983	5.0
71.05662	3.5
71.08617	7.8
73.02917	27.3
77.69666	3.6
79.05491	32.3
81.03429	22.8
81.06586	6.4
81.07050	100.0
83.04974	7.1
83.08617	25.9
85.02432	5.1
85.02903	59.3
91.03950	35.0
91.04987	3.9
91.05470	25.8
93.07030	36.8
95.04955	10.0
95.08610	72.5
97.02898	43.3
97.06559	8.1
97.10188	12.1
98.21469	5.9
99.04472	9.6
101.02368	16.9
103.03939	8.3
105.07021	20.5
107.08580	20.2
109.02879	12.8
109.06493	5.3
109.10158	29.3
111.11705	4.9
115.03973	5.7
117.05460	4.0
117.07001	6.2
119.08613	20.3
121.06476	6.5
121.10136	16.6
123.11688	14.5
127.03894	25.5
129.05507	8.5
129.06943	5.4
131.08554	9.0
133.10121	14.4
135.11676	13.9
137.13272	7.3
139.11143	6.0
142.75011	4.9
145.04929	6.4
145.10161	4.0
147.11696	10.9
161.13252	9.7
163.14798	9.3
173.11487	3.6
175.14792	9.6
183.06493	5.5
201.07539	4.2
224.85246	3.6
227.19000	4.0
245.22713	12.0
263.23730	22.5
321.24445	4.5
337.27328	72.4
353.24832	6.2
369.63766	4.2
499.32532	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	499.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.0
55.01876	4.8
55.05514	29.4
57.03438	23.5
57.07072	12.5
60.08173	21.4
61.02928	58.9
63.53906	3.9
67.05508	63.8
69.03426	26.1
69.07066	33.1
71.01329	4.7
71.05003	5.9
71.07378	9.2
71.08625	9.2
71.59340	7.7
73.02920	26.4
73.77200	3.7
79.05503	28.8
81.03407	18.5
81.07058	72.6
83.08612	20.9
85.02905	58.1
85.06508	4.0
86.09701	49.8
87.10027	26.8
89.06058	5.0
90.95242	4.1
91.03978	39.9
91.05467	21.3
93.07062	24.8
95.08609	66.3
97.02897	45.9
97.10174	12.9
99.04461	9.9
101.02397	12.7
103.03933	11.2
104.10744	100.0
105.07037	16.2
105.11073	45.5
106.11256	9.9
107.08572	9.7
109.02873	10.3
109.10162	23.8
115.03945	6.9
117.05521	4.8
117.07021	4.9
119.08565	11.0
121.10149	17.2
123.11723	13.3
125.00024	23.8
127.00462	10.5
127.03939	21.7
128.52750	4.4
129.05518	8.2
131.08575	5.4
132.22997	4.2
133.10182	13.1
135.11751	7.4
137.13257	4.4
145.04993	8.1
147.11774	4.6
148.27892	4.0
149.13196	6.0
151.04008	4.9
161.13251	9.3
179.14545	4.7
183.06509	9.7
184.07365	77.9
185.07700	38.0
186.07745	39.8
186.97279	5.5
187.08084	12.1
245.22662	9.2
263.23727	19.5
337.27325	76.7
347.26462	4.9
419.27899	4.8
481.33752	7.7
499.34708	41.6
522.70142	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07199	1.3
56.94292	1.3
63.67852	1.2
65.03925	3.7
66.35356	1.4
67.08958	1.3
69.03423	3.8
71.04222	2.2
71.04604	3.2
79.18139	1.3
85.02892	3.1
92.05003	5.6
96.08110	4.5
97.02899	1.9
101.34827	1.4
108.08176	1.2
122.06023	2.8
124.07585	5.2
126.09190	10.6
138.09167	3.1
138.79759	1.3
139.43561	1.2
150.05568	1.9
152.07066	35.6
153.01802	1.6
166.05005	62.2
176.03418	11.5
182.04543	11.5
189.10323	1.4
194.04507	5.2
199.08618	2.2
211.08751	1.9
212.09421	2.0
225.10100	2.7
227.11797	5.1
228.10265	2.9
229.13223	1.9
233.09215	2.6
240.08836	2.7
241.09744	2.1
242.10480	1.4
253.09746	2.6
255.11226	5.0
257.09338	2.5
257.12863	2.5
259.07080	3.4
261.12213	1.8
271.10785	12.6
272.09143	1.9
273.08649	1.6
273.12265	3.0
283.10760	49.8
289.11984	9.0
289.14670	2.0
301.11816	41.8
319.12878	100.0
320.13303	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80902	2.4
55.64019	2.1
65.03944	3.0
70.62051	5.1
70.62421	5.2
85.02903	5.1
92.05035	3.7
96.08109	7.0
97.02877	3.2
101.46230	2.6
105.89168	2.1
124.07581	5.1
126.09146	9.7
138.09117	3.5
152.07065	26.2
166.05000	59.6
176.03448	9.3
182.04530	10.4
188.68246	2.4
194.04472	8.7
198.07857	3.0
199.08672	4.2
212.09290	2.8
227.11801	3.5
228.10205	3.2
240.08917	3.0
253.09674	2.6
255.11432	4.9
259.07208	2.9
271.10672	12.1
273.12280	3.5
283.10736	34.8
289.11758	7.0
301.11844	38.6
319.12891	100.0
515.37488	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	499.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
56.15733	1.6
56.96548	1.9
61.02917	4.7
68.99774	5.9
69.79305	11.3
85.02898	2.5
91.05456	12.1
95.04958	4.3
95.08623	1.7
98.21552	1.5
103.05480	1.6
113.29301	1.4
115.05488	1.8
117.07013	1.9
117.50652	1.4
121.06504	24.9
123.04426	26.7
128.06224	1.5
129.01819	3.9
129.07034	4.1
133.06473	4.8
139.07530	7.6
147.04378	2.8
149.05963	7.9
151.07535	100.0
157.06522	2.0
159.04462	2.1
159.08009	2.5
160.05194	11.4
161.05991	10.7
165.09189	2.1
173.05984	3.3
174.88721	2.0
175.07545	2.7
177.05482	3.8
177.09122	6.8
185.06010	7.0
187.07481	2.2
189.05489	18.6
197.05904	1.6
211.07555	2.5
213.05466	4.8
231.06516	32.7
239.07071	2.5
249.07492	2.0
257.08075	6.0
259.09628	14.4
273.11243	7.7
277.10950	1.9
324.37952	1.7
335.07477	10.3
349.14438	2.1
353.13986	3.0
363.10748	3.8
377.13776	7.3
395.14862	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	499.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79014	1.7
54.93237	2.0
65.03951	4.0
69.03436	2.3
69.97531	5.4
69.97926	3.2
81.07079	2.8
81.09398	2.0
85.02908	3.6
92.04999	4.3
94.02876	1.9
96.08101	3.6
97.02879	2.7
126.09172	9.1
137.56984	2.0
144.41985	2.2
148.03897	2.3
152.07063	28.4
154.61153	2.0
164.03514	3.7
166.04999	53.4
176.03430	5.4
182.04486	11.2
194.04619	2.6
200.10646	2.6
207.69870	2.0
212.09329	3.0
227.11940	3.1
240.08978	3.9
255.11282	4.9
259.07050	2.6
261.12256	2.3
271.10718	10.8
273.12442	4.5
283.10760	43.4
289.11871	5.8
301.11780	36.8
319.12881	100.0
320.13239	3.7
366.79086	2.3
380.29465	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63263	1.4
57.02782	1.4
58.11244	1.4
66.35071	1.5
70.53425	1.6
70.53767	5.3
81.03428	1.8
82.99831	2.2
93.01984	1.8
95.50552	1.4
101.00845	15.4
103.02457	4.7
113.00887	4.7
119.01920	40.2
121.03509	4.3
127.02357	7.6
129.04027	2.2
131.01898	22.6
133.03485	2.2
136.15820	1.6
137.02953	4.8
143.01898	22.2
145.03450	61.9
147.01399	5.0
149.02989	8.7
155.01884	28.9
157.03452	24.2
159.05051	2.8
161.02957	30.7
163.04524	8.8
167.01894	9.9
169.03474	6.5
171.01425	7.0
171.05008	3.1
173.02950	65.5
174.03029	1.7
174.04370	4.6
175.04649	8.6
179.01834	3.4
185.02933	57.7
187.02977	2.2
187.04457	7.5
189.02464	13.1
191.03973	4.3
196.04576	2.3
197.02933	22.4
199.00906	4.2
199.04494	4.4
201.02490	3.9
203.03951	16.5
209.02975	3.4
215.03859	12.1
216.05281	2.8
217.01929	61.9
217.04953	12.7
221.05037	5.2
227.04005	11.5
229.02005	11.3
229.05031	4.7
235.02975	29.1
245.05060	100.0
246.05115	2.6
247.02924	14.1
247.04895	2.1
253.04070	4.4
257.05017	15.3
258.04617	2.1
261.72629	1.6
263.06137	16.5
265.04031	2.9
275.06116	15.9
277.04102	19.8
277.06924	2.8
293.07104	4.6
301.04083	11.1
305.07208	9.1
312.69040	2.0
319.05051	26.1
319.08051	1.9
335.08151	3.3
337.06104	23.1
337.09427	1.2
365.09290	11.3
383.09857	2.1
422.20963	1.5
499.11212	17.0
507.11517	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34521	1.3
53.38692	1.1
59.37443	1.1
69.78276	8.5
71.27758	1.5
82.99871	2.3
89.73737	1.1
98.21483	2.6
101.00880	8.7
102.00008	1.3
102.66189	1.2
103.02436	4.6
112.01940	1.3
113.00918	1.9
119.01917	32.7
121.01636	1.3
121.03503	2.8
127.02380	8.4
131.01883	16.8
133.03391	1.8
137.02951	4.6
139.02446	2.2
143.01891	20.0
145.03467	49.9
147.01408	2.2
149.02934	5.0
155.01888	25.9
157.03481	21.4
161.02966	31.6
163.04530	9.1
167.01846	7.1
168.05074	2.0
169.03464	4.8
171.01369	7.1
171.05081	3.5
173.02965	59.5
174.03046	1.4
175.00841	1.9
175.04501	4.5
179.01823	3.1
181.03423	1.5
183.01482	1.5
184.04587	1.3
185.02965	51.5
187.04518	6.0
189.02484	9.5
191.04065	3.9
193.01939	1.6
196.04593	1.8
197.02995	16.6
199.00880	4.7
199.04509	5.0
199.55905	1.2
201.02422	3.6
203.04008	16.9
208.04550	1.3
209.02946	3.0
215.04008	14.7
217.01941	56.9
217.05045	2.8
221.05031	6.8
227.04013	8.4
229.01923	8.9
229.05469	2.1
235.02982	27.1
245.05075	100.0
246.05237	2.8
247.02907	12.2
247.06802	2.0
253.04018	3.7
257.05054	14.3
258.04681	1.6
260.90924	1.3
263.06125	12.1
265.04080	2.8
266.94724	1.4
275.06155	12.5
277.04031	17.4
293.07190	4.8
301.03995	11.4
305.07178	6.5
319.05127	21.1
335.08105	3.2
337.06165	24.5
350.02277	1.4
365.09177	5.7
401.93774	1.6
499.11493	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	499.097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79097	2.8
56.96565	42.5
57.03437	3.6
60.66599	3.4
61.02967	3.7
69.03428	7.7
69.45936	13.2
69.46363	15.9
81.03418	5.4
84.96035	11.6
85.02912	16.0
97.02894	8.2
98.97577	83.2
101.00864	5.8
101.40604	3.1
109.02860	3.4
110.97580	15.7
112.99106	6.6
116.98620	74.8
117.03378	5.1
119.00092	3.6
119.01910	22.7
119.04913	4.4
121.01669	4.4
124.99174	3.1
127.02472	4.2
127.03934	8.1
128.98589	39.8
131.00179	10.0
131.01907	7.7
133.03510	6.0
134.99648	31.6
136.07596	6.6
137.02969	3.5
140.98602	8.7
143.00188	15.9
143.01933	12.0
145.01741	5.3
145.03473	25.9
145.04814	4.5
146.99652	51.0
147.04314	6.2
149.01241	13.7
149.02974	3.4
152.98532	3.9
153.00720	4.6
153.01857	4.6
155.01901	6.2
156.98183	5.8
157.03464	10.3
158.01340	3.7
158.99641	28.5
161.01228	32.1
161.02928	22.4
163.02757	7.3
163.04016	10.3
165.00752	9.5
167.76839	3.4
170.99620	28.8
173.01453	5.7
173.02975	20.1
174.99139	57.4
175.02797	10.7
175.04521	4.2
177.00691	45.1
177.05486	5.0
178.04918	3.6
179.02213	8.9
181.05443	4.2
182.99675	10.6
185.03024	19.6
186.03152	3.5
187.02803	6.3
187.04472	5.9
189.00708	47.5
191.02292	11.5
191.03908	4.9
193.00214	92.6
193.03893	5.7
195.01842	4.6
197.03004	9.7
199.04567	4.9
201.00694	68.1
203.04082	7.1
204.84537	3.6
205.03911	4.2
205.05688	6.6
207.01775	8.7
211.01122	7.6
211.04713	4.0
213.00659	4.8
217.00198	28.5
217.01996	12.3
217.03839	15.3
217.05620	7.8
219.01755	92.3
221.05098	6.8
224.02144	3.8
227.04137	4.2
231.01831	9.4
235.01257	21.4
235.02759	4.1
235.03203	6.3
237.02771	49.6
242.03409	6.5
243.01701	19.5
245.05051	46.4
247.01208	11.9
247.04968	9.1
249.02866	5.5
255.03967	3.4
257.05051	6.2
260.04437	4.7
261.02805	100.0
263.06125	9.8
273.02774	9.2
275.06183	7.3
277.02313	9.6
279.03860	70.5
291.03815	26.3
302.05496	7.9
305.06912	4.1
307.09088	7.8
309.05051	3.4
311.06369	4.0
319.03250	21.3
319.06952	4.4
321.04901	59.2
325.07852	4.8
333.04904	7.8
337.04413	33.6
337.08194	10.0
351.05957	11.4
355.09189	9.5
361.04333	4.4
367.09085	9.1
381.06909	9.3
393.87067	4.0
399.07913	9.7
475.77686	3.5
481.08612	11.0
499.09775	21.1
499.14639	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	498.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68942	1.2
55.05516	2.2
55.58581	1.5
57.07076	32.6
60.49910	1.3
69.07075	1.7
70.85047	4.5
71.08636	24.3
73.06538	5.6
76.88280	1.3
83.08635	1.6
85.10182	17.9
87.04467	4.2
89.06030	100.0
97.10162	4.1
99.11731	4.1
107.07054	4.1
113.13252	1.7
117.09138	3.1
130.08636	2.9
132.84607	1.6
133.08604	55.2
133.09619	2.8
155.17949	7.0
177.09856	2.3
177.11241	20.8
199.20581	2.9
221.13857	2.6
239.14871	2.6
243.23289	4.8
283.17395	3.0
287.25903	2.9
327.20059	9.6
420.24216	1.6
481.37384	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	498.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89157	1.0
55.01867	1.9
55.05500	3.4
57.03441	5.6
57.07066	4.6
58.06601	45.1
59.07114	1.2
59.07384	14.4
60.04499	1.7
60.07924	1.1
60.08170	12.7
67.05503	16.4
69.07076	4.9
71.08629	2.9
71.59344	1.6
75.04469	3.9
77.26900	0.9
79.05484	4.8
81.07061	13.4
83.08618	2.9
85.02890	2.6
85.10187	1.5
87.04465	4.4
87.09978	0.9
88.04001	7.2
91.05445	1.2
93.07047	3.6
95.08607	7.9
97.10143	1.1
98.98471	3.9
104.10718	1.0
105.07032	2.0
106.05036	3.4
107.08618	2.4
109.10152	2.9
131.06979	1.1
132.08321	1.0
133.10092	1.7
144.10196	9.2
155.01012	1.9
162.11203	1.8
218.13921	1.3
236.14926	96.1
237.15215	1.5
313.27332	10.7
391.14737	1.1
396.02710	1.3
398.28973	1.2
449.30170	1.1
480.36954	28.2
498.37906	100.0
499.38104	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	498.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02850	2.6
57.03430	9.2
58.06602	29.0
59.07386	9.4
60.08160	10.4
67.05493	8.9
68.68614	2.6
71.59096	5.1
72.41933	3.1
73.46206	2.9
74.14014	2.9
75.04462	3.5
77.47881	2.7
78.84580	2.7
81.07068	6.4
82.14777	2.8
87.04435	5.3
88.03999	4.2
93.07058	3.4
95.08596	4.5
99.89239	2.9
109.10141	3.6
144.10208	6.6
206.76585	3.2
236.14928	100.0
302.19211	3.4
313.27362	7.2
329.68433	2.9
367.21594	3.2
379.09387	3.2
463.30389	5.1
480.36780	24.9
498.37885	67.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
55.05505	6.4
55.33644	1.6
57.03433	5.9
57.18655	1.8
59.13804	2.0
61.02921	2.9
66.64341	1.8
67.05171	2.8
67.05502	35.9
68.69998	1.8
69.03416	2.1
69.07053	6.5
71.04977	8.3
73.02937	2.2
79.05502	11.2
81.03421	3.7
81.07054	57.0
83.04974	2.1
83.08620	5.8
85.02904	5.4
85.06538	7.0
91.05487	12.8
93.07039	19.0
93.43964	2.0
95.04961	3.6
95.08585	8.3
97.06519	8.8
99.08083	2.4
104.20197	1.9
104.84245	2.0
105.07030	6.6
107.08599	9.0
109.06569	2.0
109.10165	5.3
111.08096	2.8
113.81643	1.9
114.05518	2.5
117.07044	3.6
119.04910	2.4
119.08577	2.5
121.10160	4.4
123.04420	5.5
123.11711	8.9
124.07496	1.9
127.03886	4.5
131.08527	4.4
133.10149	10.8
135.11751	4.4
136.85089	1.8
137.05972	3.9
139.03821	1.9
149.13258	10.3
151.11180	3.5
159.11684	16.8
161.13234	4.3
163.03857	3.5
165.05464	2.6
169.10123	5.5
175.07487	2.1
177.12740	23.2
179.14284	13.1
185.36530	2.2
187.13287	5.8
192.78375	2.0
195.13808	4.1
198.29442	2.1
201.05556	2.0
229.54759	2.0
243.15919	48.6
251.16367	6.2
259.09586	2.1
269.17468	100.0
270.17801	2.7
285.90866	2.0
287.05096	3.4
301.14194	2.9
301.20157	7.7
313.11716	6.5
341.11099	2.3
373.13983	13.4
499.21423	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	498.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.05505	6.2
57.03426	7.3
57.07060	2.4
61.02917	3.8
67.05503	36.5
68.97260	2.0
69.03434	4.5
69.07056	7.9
69.61843	2.0
70.24504	4.0
70.24899	6.3
71.05000	12.4
79.05488	10.3
81.03385	3.0
81.07056	58.9
83.04981	4.0
83.08611	5.5
85.02895	7.5
85.06523	6.6
91.05482	15.4
93.07029	21.0
95.04967	5.9
95.08601	9.9
97.02877	3.9
97.06522	7.4
98.20753	2.5
98.90872	2.4
99.08086	5.1
105.07025	6.7
107.04968	3.4
107.08568	9.0
108.04479	3.4
109.06456	2.4
109.10130	2.8
111.08089	2.3
114.05465	2.5
117.07015	5.2
119.08537	2.3
121.06544	2.5
121.10178	3.2
123.04427	5.3
123.11694	8.4
124.07626	2.7
127.03876	4.7
131.08545	8.5
133.10123	15.1
137.05975	6.4
139.03897	11.6
140.04240	3.0
146.05978	2.6
149.13301	10.8
151.11133	8.5
159.11697	23.6
161.13254	3.3
163.04007	3.9
167.07037	2.4
168.06589	5.6
169.37813	2.6
177.05408	2.3
177.12759	37.3
179.14282	8.1
187.07507	2.8
187.13258	8.1
195.13861	6.0
195.17978	2.3
206.08163	3.7
211.08627	4.3
215.06985	2.5
217.39259	2.5
225.10222	5.0
239.11832	4.4
240.08896	2.2
243.15948	45.5
251.16393	10.4
253.09714	3.3
267.11276	10.2
269.17474	100.0
270.17813	5.0
295.10785	3.6
301.20074	14.0
313.11798	34.1
314.11969	2.4
341.11334	11.6
373.13937	62.8
374.14139	3.2
445.24091	4.1
466.19675	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	12.6
57.07091	3.5
57.07723	3.3
59.04099	3.2
63.60235	2.8
64.56464	3.4
67.05505	19.5
69.07071	26.6
69.45090	31.9
79.05487	15.3
81.07052	44.4
83.08620	9.9
91.05471	19.0
93.07047	38.8
95.05007	4.2
95.08609	55.0
97.10175	5.7
99.27530	3.5
103.64457	3.5
105.07040	33.3
107.08595	61.1
109.10143	30.6
111.11689	3.0
117.06989	9.0
119.08588	69.3
121.10146	42.3
123.11682	20.0
129.06970	3.3
131.08551	11.9
133.10129	53.5
135.11697	44.0
137.13246	12.4
143.08565	9.2
145.10132	26.3
147.11697	29.4
149.13258	16.8
156.09364	3.5
157.10161	8.0
159.11711	20.6
161.13257	52.0
163.14819	33.4
163.37436	3.5
169.10129	4.7
171.11691	13.5
172.12584	3.7
173.13266	26.0
175.14809	33.5
177.16310	5.3
183.11665	4.3
185.13309	16.4
187.14832	35.2
189.16440	21.7
191.17932	3.7
199.14839	7.9
201.16417	15.6
203.17931	29.2
207.13675	4.8
211.14830	4.2
213.16356	10.2
215.17911	31.7
217.19501	6.5
227.17896	9.0
228.99197	4.4
229.19562	19.4
233.15222	3.6
239.17987	16.6
241.19516	23.7
243.12628	3.4
243.21071	12.8
247.16971	5.3
253.19540	8.2
255.21051	20.2
261.18494	11.2
267.21088	11.9
269.22668	11.5
275.20267	8.8
287.19983	8.7
295.24252	5.6
301.21628	14.8
303.23337	3.6
313.21637	12.8
315.22937	6.9
337.54749	3.6
391.33585	28.8
419.33145	7.8
437.34134	100.0
451.35675	34.8
497.36072	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	497.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	13.1
53.52971	9.2
55.05499	29.0
55.20044	7.9
55.36969	8.6
57.03429	27.8
61.02930	73.4
67.05505	97.9
69.03423	53.9
69.07063	40.3
70.34064	40.2
71.08614	8.3
73.02898	31.2
73.75711	10.1
75.35880	8.5
79.05489	72.0
81.03410	22.1
81.07060	100.0
81.68661	9.1
83.04993	12.8
85.02911	63.5
91.03948	29.6
91.05465	51.2
93.07039	59.1
95.04933	9.1
95.08607	70.3
96.10324	8.2
97.02898	47.2
97.06477	10.5
99.04471	8.7
103.03965	12.2
105.07019	36.8
107.08586	44.7
109.10149	52.0
111.08078	10.3
117.07003	21.5
119.08590	28.7
121.10094	42.1
123.11711	19.2
127.03929	19.5
131.08527	24.3
133.10104	31.0
135.11668	24.8
137.13335	10.1
145.04944	11.8
145.10161	18.5
147.11685	25.0
149.13255	17.1
157.10172	11.6
159.11658	12.6
173.13326	12.0
184.07388	21.6
220.73178	8.9
261.22101	15.0
302.98895	10.2
335.25851	63.7
438.89484	9.8
455.06839	9.7
497.31009	17.3
503.69772	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	497.146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48829	0.4
64.15921	0.4
70.00372	0.5
70.09882	1.9
70.10308	0.8
82.01462	0.4
82.99859	0.9
94.93014	0.6
100.02493	0.9
101.00867	1.4
104.01956	0.8
105.00372	0.6
111.04092	1.0
112.98030	0.4
118.03507	6.4
119.01916	7.2
126.02741	0.8
127.03533	1.8
129.05112	8.1
129.48901	0.5
130.03506	2.1
131.01891	3.1
136.04565	6.1
137.02983	0.8
142.03510	0.9
143.01883	5.6
144.03781	0.8
145.03442	4.5
145.04590	5.0
147.01398	1.0
147.06131	7.7
148.04539	3.0
149.02968	0.6
154.03476	1.8
155.01881	3.4
155.03072	1.9
156.05095	1.6
157.03464	1.9
160.04604	0.8
161.02960	7.7
163.04518	0.8
167.01886	1.9
169.03435	0.9
171.04872	0.7
171.06168	2.3
172.04558	16.3
172.06055	0.9
173.02888	5.2
173.04109	20.0
174.04230	0.6
174.06052	0.7
175.04565	0.7
179.01894	1.4
180.01443	2.6
182.06673	0.7
183.06236	0.7
184.04617	1.6
185.02940	13.5
186.06227	0.7
187.04535	1.4
190.05600	2.4
191.05139	17.6
192.05170	0.5
196.04541	1.5
197.02684	3.8
198.02441	2.8
198.06052	0.6
202.05612	0.8
203.03995	3.8
208.04636	0.8
215.05139	100.0
216.03468	4.8
216.05243	3.5
221.04831	0.5
226.05618	0.5
227.05235	18.0
228.05403	0.8
233.06210	1.9
234.02612	0.5
239.05153	5.3
240.03471	0.5
241.06805	0.7
245.05197	21.6
246.05270	1.0
251.05220	1.4
257.06232	2.2
259.07852	0.8
263.06177	4.0
269.06125	2.0
275.07306	14.6
281.06223	1.1
287.07492	0.5
293.07028	1.2
299.07266	1.5
300.05765	1.1
305.07214	1.9
317.08319	16.7
335.09302	8.4
365.09323	1.2
480.11789	0.7
497.14661	5.5
520.48950	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1443
Annotation	CHEBI:70259
Peak:m/z	Relative Intensity
50.83520	0.2
51.37668	0.2
53.03939	0.3
55.01869	0.7
55.05507	0.5
65.03943	1.2
67.05492	0.7
68.99786	1.7
69.03409	0.2
70.25307	0.9
73.31780	0.2
77.03892	0.2
79.05460	0.3
81.07035	0.4
83.04979	1.0
91.05480	4.1
92.80634	0.2
93.03407	0.7
93.07047	0.3
95.04980	0.5
95.08582	0.2
97.02896	0.4
103.05446	0.4
105.03428	0.4
105.07011	0.3
105.35711	0.2
107.08600	0.2
111.04443	5.0
119.04948	5.3
119.08543	0.2
123.04425	17.9
124.04749	0.2
129.04840	0.2
132.01961	0.2
135.04439	0.4
137.05997	0.6
137.09651	0.3
139.03899	100.0
140.04262	1.2
147.04404	5.3
149.02441	0.2
151.03934	1.8
153.05446	0.4
155.04926	0.2
161.05891	0.3
163.03893	0.5
163.07533	0.3
164.04680	0.3
165.05492	0.4
167.07066	0.9
173.06029	0.3
175.03906	6.3
179.07013	0.4
183.00778	0.2
184.09709	0.2
189.05504	0.5
193.04884	0.4
207.06531	13.4
217.05104	0.3
227.16962	0.2
255.06479	0.3
273.07581	3.2
328.68570	0.3
357.27377	0.2
497.27856	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.5
57.03437	5.7
68.99810	8.4
69.03431	38.9
70.22777	27.6
81.03403	45.7
82.47561	6.2
82.63660	5.4
83.05016	5.7
85.02905	78.7
85.07664	100.0
87.00834	28.9
91.78075	5.3
95.04955	8.2
97.02892	28.2
99.04451	7.5
103.03996	8.3
105.01840	14.7
106.26974	5.7
109.02893	45.4
111.04453	7.4
121.06304	5.2
123.04448	11.7
124.55952	5.4
127.03941	64.1
129.01837	5.4
134.08516	5.5
137.05962	9.8
139.03915	11.9
145.04982	9.9
151.03926	7.0
159.75896	5.0
169.04951	10.7
187.06009	6.7
189.03951	16.1
231.04962	7.0
273.05957	27.7
315.07797	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	496.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	0.3
56.05027	0.7
57.07056	0.9
58.06606	0.3
60.07878	0.5
60.08161	6.8
67.05508	0.5
69.33874	1.7
69.34300	1.6
71.07370	3.1
71.08625	0.7
81.07001	0.3
83.60345	0.3
86.09702	31.6
98.98461	3.5
104.10751	3.1
115.06893	0.4
119.00051	0.3
125.00002	21.1
143.01047	0.4
184.07335	100.0
185.07686	0.6
258.11139	0.4
478.32745	0.9
496.33997	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33010	0.6
56.05033	0.9
57.07076	2.8
58.06598	0.7
60.07878	0.9
60.08166	15.6
69.68136	2.6
69.68564	1.4
71.07372	5.7
71.08636	1.2
79.00524	0.5
81.07053	1.0
82.23335	0.5
83.08625	0.6
85.10171	0.9
86.09708	49.0
95.08629	0.9
98.98461	3.5
104.10744	96.4
105.11084	0.6
124.99236	0.6
125.00005	25.8
184.07344	100.0
258.11066	0.9
313.27325	1.8
399.88058	0.6
432.68604	0.7
478.32941	8.0
496.33954	19.5
497.34152	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26341	2.3
50.49815	2.5
55.01884	2.5
55.05504	3.3
56.31127	2.5
61.02941	2.7
67.05504	5.6
69.03423	3.1
69.07050	2.6
74.58690	2.2
74.79755	2.4
79.05499	9.4
81.07058	6.9
83.04980	2.6
85.02897	6.5
85.45621	2.3
91.05466	7.4
92.00757	2.9
92.37047	2.4
93.07030	6.4
93.96583	2.2
95.04977	7.6
95.08588	6.9
97.02916	3.9
103.05482	4.8
105.07008	13.1
107.04951	44.1
107.08556	2.5
109.06521	7.5
110.06885	3.5
117.06999	2.8
121.06480	4.4
122.10435	3.0
123.04436	6.3
129.07005	3.1
131.08531	3.3
133.06480	14.2
135.08058	25.2
136.08443	3.1
137.05978	15.6
145.06509	3.6
148.05186	25.9
151.07518	4.4
153.01797	16.3
154.02209	4.0
161.05965	14.2
163.03935	12.0
163.05235	2.4
163.07553	61.6
165.09235	3.0
167.07037	10.8
177.09160	3.8
178.06242	39.2
181.08734	3.4
193.08565	30.6
219.13882	3.1
220.14140	4.6
236.08333	3.3
250.06197	2.4
258.05096	3.8
259.15317	2.9
275.35504	2.8
286.08167	3.0
287.05182	3.3
297.31717	3.3
311.05582	3.6
312.05804	3.2
317.13831	63.2
322.95847	2.8
324.05750	2.7
360.09488	14.6
364.09030	18.2
372.09351	2.7
374.07434	2.9
388.09015	11.9
389.09634	6.3
392.08398	8.2
416.08981	3.8
420.07849	8.0
432.07748	6.2
434.09561	6.9
445.08374	4.4
448.07391	28.0
450.09064	4.2
451.09656	4.8
462.08920	8.6
463.09735	9.2
466.12302	34.5
478.12183	100.0
479.12479	6.8
496.13171	65.9
496.28992	3.1
497.13214	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	496.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.0
59.10171	1.1
70.06596	2.3
71.27983	1.0
71.58961	2.0
74.06083	2.1
76.33249	1.2
81.07057	1.6
84.08148	1.4
85.02926	2.7
91.05481	1.6
93.07050	2.2
95.04936	1.5
95.08599	1.2
111.83777	1.1
115.05424	1.7
117.07005	2.7
121.02874	6.7
128.06227	1.2
129.07010	4.7
141.07008	2.1
142.07813	1.6
143.08545	1.9
145.06499	2.3
147.04391	1.3
149.05942	1.0
153.07048	2.4
155.08557	6.6
157.06581	1.9
157.10123	3.6
161.06000	3.4
162.32277	1.0
165.06967	1.2
166.07779	3.0
167.08612	6.7
169.06464	1.2
169.10172	1.4
173.05994	9.4
173.09651	1.9
174.06630	1.9
175.07608	1.5
181.06561	2.8
181.10085	7.1
182.07338	1.7
183.08076	5.6
183.11700	2.1
185.06000	2.3
185.09583	9.2
187.07552	4.3
188.08333	3.6
194.07301	8.3
195.08070	4.6
195.11723	3.5
197.09601	2.0
197.13223	1.3
199.07579	2.0
200.08211	1.6
201.09103	100.0
202.09344	1.2
203.10660	59.8
204.11064	1.3
209.09599	32.1
211.11189	12.4
212.08159	1.2
214.01868	1.1
223.11201	14.2
225.09096	18.0
225.12584	2.2
227.10657	45.2
229.12257	18.8
233.11774	1.6
235.83920	1.3
241.12302	3.0
251.10704	4.6
253.12183	1.6
269.11716	42.1
270.12210	1.1
271.13300	12.7
287.05499	2.3
287.12762	15.4
288.05765	1.6
289.14340	15.5
303.05017	2.6
319.04456	1.4
320.04767	4.2
321.05930	2.3
391.13763	1.4
393.15417	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	496.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.7
57.03434	3.1
60.32405	1.3
68.99789	1.7
69.03429	11.9
70.06591	2.1
71.57713	2.9
72.08152	2.5
81.03405	2.7
84.04482	1.6
84.08160	1.7
85.02922	11.2
86.09676	2.5
87.04455	7.1
91.05517	1.4
95.04964	3.3
95.06030	1.6
96.70316	2.1
97.02890	8.4
98.20715	1.7
98.69100	1.7
109.02876	1.6
110.03648	7.3
110.07172	2.2
113.87739	1.6
115.03938	6.6
119.04949	4.4
122.02660	2.1
125.06004	23.6
127.03920	4.3
129.10249	1.8
130.98032	1.3
133.02846	7.1
133.04922	9.6
136.07594	1.7
137.06003	4.7
139.03902	4.7
147.04385	4.5
153.01855	3.8
153.05467	41.3
154.06258	14.2
163.03911	1.7
166.06308	1.9
167.07092	5.1
170.05753	8.0
177.05478	6.3
178.06270	5.9
179.03406	2.1
179.07031	3.2
182.05772	4.1
184.07352	1.7
185.08089	100.0
194.05774	10.9
195.06464	1.7
197.08075	8.5
209.08093	18.2
221.08180	2.9
227.09155	14.0
231.26674	1.7
251.09187	5.3
257.09061	1.5
262.07071	1.9
263.09125	3.7
281.10132	10.8
299.11343	2.7
327.12277	4.0
362.51218	1.5
483.66541	1.7
506.76645	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54471	0.6
53.03928	1.2
58.86848	0.6
69.03440	2.8
71.89384	0.6
79.01839	2.8
81.03416	8.3
81.07055	1.0
85.02913	2.8
89.31966	0.6
91.38983	0.6
94.72778	0.6
97.02888	7.0
97.53942	0.5
107.01289	1.7
109.02879	5.4
125.02333	3.8
127.03916	7.0
132.95886	0.8
143.03357	5.3
145.04980	2.1
151.60103	0.6
153.01825	100.0
154.02168	1.5
171.02869	11.9
220.34132	0.6
267.03064	0.9
287.67172	0.6
297.06046	11.3
315.07141	6.3
351.46695	0.6
415.19205	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.7
53.03941	4.9
55.01871	7.2
55.05263	2.0
55.05510	28.9
57.03187	1.6
57.03439	17.3
59.04992	1.6
65.03935	4.9
67.05502	44.0
69.03425	7.7
69.07069	9.7
69.44688	11.8
70.06581	1.2
71.01334	1.3
71.04990	10.7
74.56960	1.3
79.05495	49.7
81.03418	100.0
81.07056	48.8
83.04976	20.4
83.08619	36.5
85.02906	50.0
85.06553	3.2
91.05479	56.6
93.07040	30.5
95.04966	48.1
95.08604	18.2
97.02887	5.6
97.06541	7.4
97.10165	6.6
100.11259	3.9
103.05479	4.2
105.07028	42.4
105.11342	1.4
107.04952	33.6
107.08593	16.8
109.06531	13.5
109.10166	6.7
111.04465	4.2
111.08085	16.8
111.58917	1.2
113.06008	5.7
115.05458	3.9
117.07043	5.1
119.04906	2.5
119.08587	32.2
121.06517	7.0
121.10165	14.4
123.04436	2.3
123.08060	5.1
123.11735	2.2
125.05955	1.7
125.09613	3.0
128.06250	1.6
129.06987	17.5
131.08565	21.4
133.06500	16.1
133.10120	19.3
135.08067	14.8
137.05949	8.9
137.09598	2.5
139.11197	1.6
142.07790	5.7
145.06491	2.1
145.10138	4.1
147.04387	2.8
147.08057	5.6
147.11693	22.6
148.05188	11.0
149.05954	2.4
149.09621	7.9
151.03964	1.4
151.07518	2.3
153.01813	2.7
157.10106	18.5
159.07924	1.3
159.11729	1.2
161.06000	10.4
163.03918	5.7
163.07541	30.4
163.08789	2.2
163.11124	1.5
165.12744	5.4
167.07053	5.7
169.85652	1.5
175.11183	27.8
178.06252	22.0
178.88396	1.5
184.17024	1.5
193.08626	12.7
193.12239	84.9
211.13283	99.2
219.13840	2.3
227.12755	1.6
253.08476	1.5
259.15475	3.5
267.16006	5.7
271.14380	1.4
285.17007	3.2
293.17554	1.8
317.13834	36.5
346.36301	1.5
349.21478	1.3
363.08701	1.7
367.22684	3.2
385.23688	3.0
387.08633	2.3
403.24588	2.0
447.06891	1.8
459.26953	2.2
465.11877	3.3
477.11740	8.2
477.28680	5.4
478.11856	1.5
495.13052	5.8
495.29562	62.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.1
55.01859	8.5
55.05513	31.9
57.03441	17.2
59.04993	2.8
65.03943	2.5
67.05505	48.0
69.03414	6.1
69.07076	12.2
70.40594	8.6
71.04992	8.0
79.05492	45.0
81.03418	83.7
81.07056	48.2
83.04983	19.1
83.08620	33.8
85.02904	43.4
85.06546	4.5
88.44981	1.9
91.05483	52.0
93.07043	38.0
95.04968	37.9
95.08595	20.4
95.30756	1.9
97.02889	4.5
97.06525	9.2
97.10183	9.1
100.27507	2.0
105.07027	34.4
107.04960	10.4
107.08600	15.6
109.06512	7.2
109.10162	7.8
111.04427	7.5
111.08087	19.3
113.05978	5.2
115.05444	4.7
117.07006	7.3
119.08578	28.2
121.06544	3.4
121.10133	17.6
123.08075	5.1
125.09630	6.8
129.06998	15.0
131.04877	3.2
131.08542	15.2
133.06506	4.1
133.10117	15.1
135.11693	4.1
137.05962	4.1
137.09555	3.2
142.07813	2.8
143.08578	2.5
145.10147	5.5
147.08051	5.2
147.11703	28.5
149.09557	10.1
149.13225	3.4
155.08592	2.3
155.44397	2.0
157.10138	23.2
159.11717	3.0
161.05902	2.5
163.11122	3.7
165.12784	7.5
167.07022	3.6
175.11179	22.1
191.10590	4.6
193.12239	92.0
195.13925	2.2
209.11751	4.3
211.13298	100.0
227.12776	4.2
267.15894	7.8
283.15417	3.8
285.17038	3.8
311.08981	2.6
371.07825	2.6
385.23657	2.9
462.68848	2.8
477.28525	6.1
495.17990	2.5
495.29724	63.4
496.30063	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	495.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01122	0.8
53.03935	1.0
54.09109	0.8
54.76047	0.8
55.05511	6.2
56.96564	47.0
57.03431	4.4
65.03933	0.8
67.05172	1.1
67.05505	14.8
68.84929	0.9
69.03414	2.1
69.07049	4.5
70.79376	0.9
71.04981	2.7
71.95277	5.0
72.96028	3.2
79.05490	12.4
79.05916	1.6
81.02986	1.2
81.03418	17.1
81.07056	22.4
83.04975	4.8
83.08624	7.1
84.96021	1.2
85.02899	10.8
85.06535	1.6
91.05477	16.4
92.98660	1.3
93.07037	12.4
94.75705	0.9
95.04958	10.1
95.08601	7.3
97.02893	1.8
97.06522	3.7
97.10165	1.4
97.96842	1.0
105.07027	11.9
107.04970	4.8
107.08598	5.3
109.06516	4.3
109.10163	2.8
111.04444	1.1
111.08079	3.7
115.05360	0.8
117.07017	1.8
118.41265	0.7
119.08566	9.4
121.06503	2.7
121.10136	6.2
123.01201	1.3
123.04500	1.2
123.08050	1.2
123.11671	2.7
125.09616	1.4
129.06972	2.5
131.04907	1.2
131.08578	4.9
133.06514	1.3
133.10104	3.8
135.08029	1.1
135.11676	1.5
137.02679	1.5
137.05957	1.0
137.09674	0.8
141.02211	1.3
142.07814	0.9
143.08484	1.2
145.10123	1.6
146.99590	1.0
147.08003	1.0
147.11670	7.1
149.09602	2.1
149.13220	1.4
151.03920	2.1
155.03770	3.2
157.01698	2.1
157.10081	2.8
159.03275	2.6
159.11679	1.2
163.03938	1.0
163.11189	1.7
165.12729	2.5
167.07030	1.3
171.03236	2.1
173.04854	0.9
175.11153	4.5
177.04350	1.3
181.05254	1.2
183.03395	0.9
185.01114	1.0
185.04842	2.4
189.04330	2.8
193.12224	14.3
197.74467	1.0
199.02728	1.4
203.02264	1.1
203.05881	1.9
211.06459	1.5
211.13284	14.0
214.70709	1.0
217.03798	1.6
217.07515	1.4
219.13737	1.4
223.09900	4.4
237.07924	1.1
239.09464	1.2
241.11092	57.7
242.11569	1.0
247.09569	1.6
249.08012	1.1
255.09177	1.6
259.12173	100.0
260.12723	2.2
264.12668	3.8
267.08981	10.6
267.15881	4.8
277.12985	1.2
282.13693	5.4
285.10080	60.8
285.16925	2.1
286.10382	1.1
287.05487	1.2
303.11145	57.7
304.11401	1.5
308.11581	6.5
315.04895	2.4
321.12238	1.1
326.12692	6.0
385.23773	1.3
416.96286	0.9
466.11813	0.9
477.21964	1.9
477.28568	3.0
495.22485	34.8
495.29489	12.8
496.22910	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.01866	5.3
55.05513	7.8
56.94828	1.2
56.96574	2.1
57.03430	2.6
59.04988	1.5
61.02937	1.6
65.03933	2.8
65.74767	1.4
67.05170	1.5
67.05508	16.5
69.03433	1.6
69.07067	5.7
71.04983	2.4
71.58795	1.7
78.04706	1.2
79.05489	17.8
80.08984	1.5
81.03425	6.4
81.07053	22.0
83.04971	3.1
83.08607	4.5
83.87025	1.2
85.02911	6.0
85.06528	1.8
91.05477	12.9
93.07037	11.2
95.04959	9.1
95.08592	6.6
97.02869	1.7
97.06525	2.8
97.10143	2.1
99.08191	1.6
101.61366	1.1
103.05482	3.2
105.07012	9.5
107.04936	14.3
107.08597	8.0
108.62694	1.1
109.06496	2.6
109.10157	3.7
111.04427	1.6
111.08104	3.5
113.06019	1.6
115.05495	1.8
117.07009	3.2
119.08589	6.9
121.06494	3.4
121.10137	6.1
123.04431	5.5
123.11692	3.3
124.05195	3.0
125.06019	2.1
128.06175	2.1
129.06981	3.1
130.04140	1.7
131.04927	13.5
131.08580	4.3
133.02844	1.6
133.06520	1.8
133.10123	4.8
135.11736	2.7
137.02330	6.6
137.06006	2.1
137.09615	1.5
138.03148	2.0
139.03920	3.1
141.07007	1.6
144.05682	1.5
145.10120	3.6
147.04417	1.7
147.11667	7.1
148.05190	1.9
149.05940	1.3
149.09563	1.8
149.13263	2.9
151.03943	1.8
151.07579	1.5
151.11082	1.5
152.04692	1.9
153.01842	2.6
153.05438	11.0
157.10143	3.1
159.11661	1.8
161.06013	2.4
163.03899	1.4
163.11151	3.2
165.05562	1.4
165.07065	3.1
165.12726	1.4
166.02646	1.8
166.07805	1.5
167.07050	58.6
175.11154	1.7
176.04704	2.2
177.05521	2.5
178.07773	2.0
179.08536	2.2
181.04961	27.3
181.06506	2.8
181.10164	1.7
183.08101	1.4
185.06145	2.0
189.05550	1.8
190.07791	1.6
191.07040	14.5
191.08459	2.4
192.07851	1.5
193.06554	2.8
193.12234	6.3
194.07288	6.4
195.08061	3.5
196.05255	2.4
202.06026	1.2
205.06525	6.0
207.08128	3.1
209.09677	1.7
210.06761	2.1
211.07652	1.8
211.13335	5.4
213.05498	3.4
214.06204	1.6
219.08089	5.5
221.05922	2.6
222.06743	5.8
223.07439	3.1
224.04761	1.7
225.09201	1.8
227.12836	1.9
233.05963	2.8
233.08083	1.3
234.06827	5.5
236.08292	4.6
237.05505	1.7
237.09131	5.4
238.06180	1.5
239.06932	1.7
242.05696	3.8
250.06247	4.4
251.06996	1.9
252.04242	1.4
253.08696	1.8
257.04388	4.0
258.05127	1.7
263.07037	2.3
265.08560	12.5
267.06506	2.9
267.16013	2.3
270.05283	3.4
279.06631	2.7
280.07245	1.9
281.08005	2.1
282.08823	2.1
284.06833	1.7
285.07504	22.4
285.17093	1.4
286.04883	2.7
287.11389	1.3
297.11255	15.9
299.09164	12.7
311.09100	3.7
323.08987	3.4
341.07834	1.6
342.08685	1.7
358.07959	2.8
359.09244	3.0
370.08163	2.0
381.07697	2.0
387.08441	3.6
399.08621	1.9
402.10623	2.6
403.12018	1.8
413.10153	4.2
415.07715	1.8
416.08444	7.6
417.13409	2.5
429.09753	2.1
430.09995	2.4
431.11005	5.1
432.07819	2.1
437.15930	2.9
441.27029	1.4
445.12741	10.6
446.13245	17.0
449.15985	19.1
462.12878	7.8
465.09631	1.8
465.15302	12.8
477.15399	100.0
478.15503	2.6
481.91647	1.7
495.12854	8.4
495.29901	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	495.1648
Annotation	3'-Hydroxy rocagloic acid
Peak:m/z	Relative Intensity
54.44005	0.7
55.01868	1.9
65.03926	1.3
67.05497	1.6
68.99813	1.2
71.36457	1.5
79.05495	1.3
91.05486	1.3
95.04958	2.0
96.32532	0.7
97.02854	0.9
103.05470	1.8
105.03331	0.7
105.07003	1.4
107.04961	2.0
108.02087	2.6
111.04436	1.6
117.03409	0.8
118.04149	1.3
118.71158	0.7
119.48559	0.7
121.02863	1.5
123.04435	2.4
130.04147	0.9
131.04927	5.5
132.05721	5.1
133.02853	1.0
137.02388	0.7
147.04413	1.4
148.05222	1.3
149.05968	1.5
151.03905	100.0
152.04224	1.5
153.01765	0.8
154.02655	2.6
160.05161	1.2
161.05940	2.2
162.06789	4.7
167.07014	1.8
168.86354	0.7
173.05981	1.0
177.05440	3.8
178.06322	1.2
191.06992	6.7
192.07819	9.7
196.05304	0.8
197.78233	0.7
201.09081	1.6
211.07536	1.9
214.06226	1.3
229.08575	2.5
242.05714	0.8
243.06479	0.8
251.07239	0.8
257.08090	6.8
258.08691	0.8
285.07626	6.6
287.09219	1.7
323.09128	1.9
353.10092	1.1
445.12762	1.6
465.15271	1.1
477.15509	18.2
495.16583	18.5
495.24466	1.0
496.16080	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1498
Annotation	Peruvianoside I
Peak:m/z	Relative Intensity
59.24200	1.0
65.03947	1.1
67.05487	1.1
68.99793	3.2
69.07068	1.8
70.06593	1.7
70.08770	6.2
79.05516	6.0
81.03416	4.4
81.07033	3.1
83.04977	4.3
85.02892	1.7
86.09724	1.0
88.94003	1.0
91.05472	5.1
93.07037	3.3
95.04958	8.0
97.02875	1.8
105.07000	2.6
107.04942	13.2
107.08559	1.7
109.06530	2.0
117.07011	1.8
119.04918	3.9
121.06526	1.3
123.04426	45.9
125.05992	1.9
127.03876	1.2
133.02847	1.2
133.06516	2.3
135.56525	1.2
137.05969	4.6
139.03889	2.7
145.10143	1.1
147.04373	3.8
149.02327	2.3
149.05969	1.2
151.03900	100.0
152.04288	1.6
153.01823	4.8
153.05394	1.4
155.06989	1.6
161.05963	3.1
163.03873	4.0
165.05496	1.8
167.07039	48.9
177.05298	1.3
179.03389	19.7
179.07007	11.6
180.07523	1.4
189.09126	1.2
191.07112	1.1
191.14349	1.1
193.08572	1.3
207.06447	2.8
213.05531	1.9
215.94824	1.2
216.57091	1.1
219.10147	1.2
219.13852	1.1
227.06891	1.7
245.08095	2.4
250.61722	1.1
255.06531	1.8
273.07495	1.6
293.17383	1.2
305.10159	3.3
315.08389	1.2
319.04483	1.7
332.16565	1.6
333.09671	96.0
334.10107	2.3
378.24167	1.2
409.18344	3.8
451.19397	15.0
495.18472	31.1
495.25449	1.3
510.44516	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1287
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
55.05517	4.2
60.18309	2.1
61.63194	2.1
67.05489	3.0
70.87963	4.0
70.88333	4.5
77.33089	2.2
80.30435	2.0
81.07066	3.6
91.05460	5.5
95.04934	3.2
95.08595	2.7
100.11247	4.2
104.45993	2.4
109.06523	2.9
112.00857	2.8
121.06500	4.9
133.06424	2.7
133.10153	2.7
137.02315	6.5
137.05966	4.8
147.04411	4.8
150.06728	2.8
153.01831	23.4
167.07011	4.9
193.08580	11.2
194.08942	7.3
203.09706	2.4
235.07559	2.5
247.94896	2.4
257.04474	4.4
257.08127	3.7
258.05441	3.3
271.06125	5.1
280.08765	2.5
286.04669	3.6
287.05353	2.8
311.05490	8.4
335.09003	2.7
347.08975	3.0
359.09100	9.3
363.08719	16.1
373.06497	3.0
387.08551	12.0
388.09317	6.2
391.07986	9.8
403.07629	2.3
409.86700	2.4
415.08145	2.9
416.08875	5.7
417.09735	2.8
419.07455	5.6
426.07889	2.3
431.07654	5.1
432.07840	2.4
433.09177	3.7
444.08527	3.8
447.06995	28.5
449.08917	2.9
455.45471	2.3
461.08533	9.7
462.09418	8.8
465.11832	31.6
477.11844	100.0
478.12329	3.5
495.12790	66.7
495.24747	4.9
496.13583	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	495.1284
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
53.56848	0.9
53.90788	0.9
63.77302	0.9
66.94044	1.0
67.05487	3.7
69.03455	0.9
69.07054	1.1
70.83968	2.6
79.05487	3.8
81.03438	1.0
81.07038	3.1
85.02894	2.2
91.05473	2.9
93.07005	2.3
95.04948	1.9
95.08600	1.6
97.02849	1.2
103.05452	3.8
105.07024	2.0
107.08547	1.6
109.02991	0.9
114.59156	0.9
118.04166	1.5
119.04959	1.1
121.06531	1.7
124.77867	1.1
131.04895	4.9
132.05696	2.1
140.04642	2.6
146.03624	3.1
148.05180	1.3
153.01816	5.3
155.59457	1.1
166.06285	1.4
167.07059	1.3
176.04773	2.3
177.05479	1.6
178.06273	3.2
191.07043	4.2
192.07944	1.4
203.03357	6.1
229.04980	5.8
241.05093	2.7
242.05727	13.3
253.04979	3.0
257.04456	54.7
258.05200	15.4
269.04398	1.4
270.05258	2.2
271.06012	2.2
285.03854	9.2
286.04703	25.2
287.05502	20.3
297.04041	4.1
300.06247	1.4
327.04932	2.7
341.06479	1.7
431.07855	1.1
447.07068	1.8
465.11786	4.3
477.11768	16.6
495.12839	100.0
495.28928	3.1
496.12982	3.1
508.27170	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67896	0.4
53.03911	0.5
54.81447	0.6
55.05470	0.7
55.76122	0.4
66.76070	0.5
69.43375	1.1
69.43782	3.4
72.52345	0.4
79.05472	1.3
81.03369	0.8
81.07005	1.0
85.56116	0.4
91.05455	2.0
93.07024	0.8
95.04948	0.8
95.08555	0.9
103.05434	0.8
105.06995	0.8
106.04141	0.7
107.04936	1.4
117.06993	0.6
118.04138	0.5
119.04905	0.6
121.06528	0.8
131.04893	1.1
132.05670	0.6
133.02791	0.7
133.06447	0.7
135.04381	1.8
136.05156	0.5
137.02367	3.1
137.05952	0.8
140.04607	0.7
148.05151	0.6
149.05936	1.4
151.03912	1.2
153.01851	3.6
153.05510	2.7
161.05876	0.5
163.03847	0.6
167.07033	1.7
168.07785	2.4
175.74728	0.5
177.05371	1.3
178.67226	0.6
180.07806	1.0
191.07079	0.7
193.04810	0.7
194.96677	0.5
196.07304	1.0
203.03404	9.1
213.05391	1.1
216.04048	0.6
229.04935	7.9
229.07030	0.7
230.05414	0.6
241.04898	2.1
242.05670	2.5
253.05014	0.8
257.04443	100.0
258.05121	4.1
269.04437	2.1
270.99954	0.5
271.05954	0.8
285.03986	4.6
286.04721	8.5
287.05508	11.1
295.05896	0.7
297.03970	6.6
327.04953	0.9
375.08768	0.5
385.02252	0.5
387.08588	0.7
405.09518	0.7
407.07513	0.6
421.09274	0.5
433.09119	1.1
445.09265	1.0
449.08401	0.5
465.12100	2.7
465.17654	0.5
477.11786	2.1
495.12854	96.6
496.13156	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1132
Annotation	Myricetin 5-methyl ether 3-glucoside
Peak:m/z	Relative Intensity
53.03922	1.2
57.03423	1.1
61.02902	1.0
68.99783	1.1
69.03418	2.8
70.70385	1.7
73.02888	1.2
75.33142	0.8
79.05455	1.0
81.03413	2.0
81.07055	1.0
85.02895	9.5
86.09688	0.9
91.21838	0.8
93.07069	1.3
97.02885	3.6
98.09658	0.7
105.06995	1.2
109.02877	2.0
111.00796	0.9
122.03634	0.8
123.04395	0.9
126.09155	1.1
127.03870	2.2
137.02316	1.7
137.05972	9.0
139.03880	3.7
152.07056	0.8
153.01811	9.0
161.05948	0.9
165.01794	1.9
166.04974	2.1
167.03339	2.2
167.07022	1.4
177.05426	0.8
179.03400	0.8
183.02902	1.4
191.10669	0.8
191.30653	0.8
198.53619	0.7
199.07524	0.8
217.04976	3.0
219.02864	3.0
227.07053	3.5
228.15063	0.8
233.04430	1.4
244.03635	2.1
245.04451	4.7
253.08507	0.8
259.05841	1.4
261.04001	1.0
273.03967	2.8
277.07104	1.5
282.87964	0.7
287.05551	1.3
289.03461	1.6
290.04236	1.5
301.03445	6.2
303.04929	0.9
305.05371	1.5
307.12689	0.8
318.03638	9.2
319.04428	1.9
333.06024	100.0
334.06372	2.0
417.17007	1.5
435.18231	1.5
495.18192	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	13.0
69.03411	5.9
71.31468	11.5
71.31798	6.0
83.01341	12.7
85.02924	8.2
97.02910	6.3
109.02856	8.5
111.04429	8.5
121.02876	14.2
123.04427	5.3
133.02895	9.8
137.02333	10.5
139.03902	86.3
143.03432	8.6
149.02347	14.8
151.03864	8.8
153.01826	100.0
161.02428	5.3
163.00290	13.3
163.03955	13.3
165.01839	21.3
167.03432	6.9
169.04996	5.6
173.02293	6.1
175.00520	4.9
177.01831	10.6
179.03400	9.9
183.03006	8.5
189.01883	9.0
190.99757	13.0
191.03416	19.7
193.01317	21.5
195.02859	14.9
197.00854	31.0
203.03448	8.9
205.01318	14.6
209.00795	17.9
217.01251	7.8
218.99168	10.9
219.02870	29.8
221.00822	18.8
223.02397	9.6
229.01370	9.3
229.04980	6.7
231.02780	6.4
233.00838	8.4
233.04500	5.7
235.02309	11.4
237.00243	38.5
247.02449	16.0
251.01906	37.3
257.00784	7.4
257.04489	9.6
263.01929	15.4
267.02985	8.0
269.04489	9.1
273.04016	7.1
275.01877	23.6
281.02911	9.9
283.02582	7.1
285.03970	15.5
287.05258	6.7
293.03003	11.1
295.02347	8.6
297.03839	12.2
299.04242	6.6
301.03409	14.6
309.02356	10.5
311.04041	53.3
313.03464	15.0
315.05170	5.8
325.03268	6.2
327.03467	14.8
329.02856	29.0
331.62891	5.5
339.04935	6.5
341.02783	13.9
341.06555	9.2
343.04471	9.8
347.03851	11.9
357.02448	7.8
359.04053	8.3
367.04373	17.3
369.06177	7.2
371.03937	17.1
379.04443	8.9
385.05545	14.9
389.04645	10.3
395.03995	10.9
403.06549	19.1
405.04535	15.4
413.04953	42.9
431.05951	52.0
441.04410	20.1
448.06317	10.3
449.07184	81.7
459.05396	17.5
477.06937	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	495.0768
Annotation	Myricetin 3-glucuronide
Peak:m/z	Relative Intensity
50.71865	0.6
57.03441	1.7
68.99776	1.3
69.03408	0.8
70.26336	3.2
71.01337	2.5
73.02909	2.4
80.00616	0.6
84.47470	0.7
85.02899	8.7
89.22879	0.6
95.01301	2.0
97.02879	1.1
99.00801	0.8
101.41119	0.7
109.02886	1.1
111.00783	2.7
113.02374	3.4
131.03384	3.0
131.13437	0.8
137.02307	2.0
141.01830	1.4
153.01817	12.5
153.02977	0.8
155.49762	0.7
157.30840	0.8
159.02867	1.4
165.01828	4.5
177.05453	0.8
179.03339	1.7
183.02892	1.4
204.23181	0.7
217.05000	4.4
227.03253	0.7
245.04549	4.7
273.03885	6.0
290.04193	0.9
301.03375	1.6
315.13321	1.1
319.04483	100.0
320.04791	1.4
344.72745	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.0769
Annotation	Myricetin 3-glucuronide
Peak:m/z	Relative Intensity
50.40055	0.5
55.05489	0.6
57.03438	1.1
67.05496	1.3
68.62302	0.5
68.99786	1.7
69.03419	0.8
69.07068	1.3
70.06591	5.5
71.01353	1.8
71.04992	0.6
71.58211	0.9
73.02914	4.4
79.05496	1.2
81.03430	1.1
81.07030	0.7
84.04512	1.3
85.02900	9.4
86.09706	3.5
91.05463	0.8
95.01331	1.6
95.04966	0.8
95.08588	1.1
97.02871	0.8
99.00861	0.6
103.03935	1.1
105.07025	0.8
107.08624	0.8
109.02855	0.6
110.59116	0.6
111.00806	1.3
111.18141	0.6
113.02361	3.2
115.03928	0.8
117.06969	0.7
119.08579	0.9
121.02843	1.0
123.04446	1.8
125.02332	1.2
126.03100	1.2
127.03936	1.7
130.05051	0.8
131.03403	2.7
135.10065	0.5
137.02364	2.9
141.01845	1.8
145.06493	0.9
147.04384	0.7
153.01817	10.5
156.59377	0.6
159.02904	0.9
160.81895	0.5
165.01843	5.6
167.07004	0.6
168.58368	0.5
169.01338	1.2
177.05469	0.7
179.03397	3.0
183.02794	0.7
195.02988	3.0
195.04596	0.6
199.03790	0.7
203.03337	0.9
207.02907	2.1
217.04984	1.9
227.03345	0.9
232.03731	1.3
245.04388	5.0
249.03978	1.0
255.02922	0.7
255.11256	1.1
263.05713	0.7
273.03943	8.2
273.08835	0.6
290.04245	2.1
297.12277	0.9
301.03442	2.3
315.13376	8.5
319.04483	100.0
320.04712	1.3
333.14423	0.6
495.10840	1.0
495.18198	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.0765
Annotation	myricetin 5-O-glucuronide
Peak:m/z	Relative Intensity
55.01855	1.1
56.05006	0.6
56.96525	0.5
57.03427	0.7
60.78727	0.6
62.60900	0.7
65.38084	0.7
65.83800	0.5
66.62565	0.5
68.99784	1.0
69.03432	1.9
70.06568	1.3
70.93230	1.0
70.93554	0.8
71.01337	2.2
72.08154	0.8
73.02914	3.7
75.04451	0.9
81.03419	0.7
85.02904	10.4
86.09698	1.8
95.01302	0.8
95.04950	0.6
95.39478	0.5
97.02873	2.2
99.00818	0.8
107.04959	0.7
108.53621	0.6
109.02862	0.8
110.07151	0.6
113.02374	3.4
120.08114	2.9
121.02905	1.0
123.00731	0.8
125.02399	0.7
127.03929	1.2
131.03398	2.8
136.07594	2.0
137.02342	8.7
139.03885	0.6
141.01813	1.6
147.04369	1.4
153.01816	5.2
159.02910	1.0
161.05888	0.6
169.01328	5.1
171.04405	1.6
175.03870	0.6
175.14771	0.5
181.01288	1.3
187.90773	0.5
189.05527	0.7
199.03911	2.2
209.06004	0.6
217.04889	2.9
227.03198	0.6
235.14368	0.8
237.02864	1.0
245.04474	4.6
255.02957	0.9
273.03934	8.2
275.97635	0.6
290.04251	1.0
301.03415	8.2
303.04944	2.4
318.03708	2.2
319.04465	100.0
319.11176	2.3
320.04694	1.2
333.06042	11.1
333.09781	0.9
441.20822	0.6
495.13776	0.6
495.24332	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3241
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
55.05497	2.8
56.05022	1.6
57.03443	0.5
57.07068	1.6
58.06600	1.3
60.08162	17.8
62.14322	0.3
66.58161	0.4
67.05489	0.4
69.07066	2.8
70.99014	0.4
70.99347	1.0
71.06980	0.5
71.07371	7.3
78.68092	0.4
81.07050	0.9
83.08617	2.2
85.10155	0.4
86.09701	53.2
87.53468	0.4
93.07048	0.5
97.10157	1.3
98.98473	5.2
104.10739	100.0
105.11093	0.5
109.10187	0.4
125.00002	29.5
134.74930	0.4
143.01051	0.9
163.01543	0.6
184.07333	95.1
185.07605	0.6
186.48445	0.4
258.11169	0.6
311.25784	1.7
417.23938	0.9
476.31299	8.6
494.32404	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	495.0765
Annotation	Myricetin 3-glucuronide
Peak:m/z	Relative Intensity
55.01861	0.5
57.03417	1.1
60.75919	0.4
68.99786	1.2
69.65326	1.8
69.65750	1.5
70.06568	0.7
71.01369	2.3
73.02924	3.2
85.02909	8.5
95.01329	1.1
95.04990	0.6
97.02885	0.9
99.00813	0.9
103.03913	0.6
107.32892	0.4
109.02892	0.6
111.00770	0.6
113.02367	3.7
119.08530	0.4
120.08131	0.5
121.02885	1.0
123.04467	0.7
125.02358	0.5
127.03958	0.6
131.03404	2.2
137.02344	8.2
137.05945	0.6
139.41516	0.5
141.01828	2.1
147.04431	0.9
147.13429	0.5
149.02330	0.4
152.60233	0.4
153.01836	2.9
159.02910	1.3
165.01932	0.9
169.01331	3.7
171.03017	0.5
171.04405	1.1
181.01312	1.0
189.05348	0.7
199.03899	1.6
217.05019	1.9
227.03360	0.7
245.04431	3.9
247.09489	1.5
248.13115	0.5
273.03897	7.2
301.03406	7.5
303.05011	0.6
319.04477	100.0
320.04733	0.8
337.13123	0.5
451.15628	2.0
458.21274	0.5
493.71069	0.6
495.14215	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	494.324
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
54.80888	0.3
55.05508	2.3
56.05037	1.7
57.03428	0.5
57.07069	0.6
58.06606	0.9
60.08162	17.7
67.05502	2.2
69.07058	1.7
69.70473	1.7
71.07371	6.6
71.08636	0.5
79.05490	1.1
81.07043	2.2
83.08626	1.4
86.09703	52.8
93.07046	1.0
93.63461	0.4
95.08601	1.5
97.10178	0.5
98.98468	4.3
102.62069	0.3
104.10741	98.4
105.11071	0.6
107.08603	0.7
111.08083	0.8
121.10153	0.8
125.00000	30.1
135.11714	0.4
143.01050	0.7
149.02327	0.8
150.47452	0.3
158.12939	0.4
163.01540	0.8
181.02557	0.4
184.07336	100.0
185.07700	1.2
193.04962	0.5
209.14937	0.3
219.38167	0.3
237.07481	0.6
258.11035	1.5
284.29465	0.5
311.25781	1.2
320.23587	0.3
476.31372	8.4
494.32382	19.6
495.32565	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.2
56.05035	1.7
58.06602	1.6
59.87525	0.9
60.08161	16.2
66.74136	0.9
67.05516	1.7
69.07065	2.3
70.06619	1.0
71.07371	5.6
71.41646	1.9
78.23429	1.1
79.05474	1.4
80.32294	0.9
81.07077	2.3
83.08613	1.7
86.09702	48.5
89.69506	1.0
93.07024	1.3
95.08605	1.5
97.10184	1.5
98.98470	4.1
104.10738	99.4
107.08569	1.0
125.00000	26.8
149.02371	2.7
183.31400	0.9
184.07336	100.0
188.99701	0.9
193.04976	3.0
212.21362	0.9
237.07576	2.3
261.90866	1.1
284.29413	1.8
311.25928	2.5
406.54279	1.0
476.31339	8.0
494.32516	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	494.3242
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
55.05507	1.9
56.05035	1.3
57.07060	1.0
58.06589	1.4
60.07880	1.2
60.08165	19.2
67.05495	2.2
69.07047	1.9
69.53831	3.0
69.54269	2.9
70.06580	0.7
71.07378	6.7
79.05495	2.0
81.07044	2.2
83.08634	1.2
86.09706	48.3
91.05477	0.9
93.07043	1.1
95.08607	1.5
98.98473	3.4
104.10743	100.0
105.07023	1.9
108.15852	0.8
109.10166	0.8
109.98464	0.8
121.10136	1.1
125.00005	26.1
141.21170	0.8
149.02303	1.3
149.13199	0.7
151.30263	0.8
163.01491	0.9
184.07341	90.8
185.07542	0.7
193.04968	1.0
236.71048	0.8
258.11182	1.4
284.29721	0.9
311.25900	1.3
476.31287	9.5
494.32230	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	493.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	22.4
57.03438	14.9
57.07064	7.5
67.05508	24.0
69.06725	3.1
69.07072	29.5
71.08612	4.1
71.33086	5.3
79.05476	9.7
81.07057	26.8
83.08616	22.9
91.05475	2.9
93.07038	12.3
95.08615	24.5
97.06535	2.4
97.10172	6.3
98.97874	3.2
98.98470	53.0
100.06116	2.6
107.08576	7.1
108.39333	2.3
109.10162	14.5
121.10157	13.8
135.11682	8.6
149.13202	2.8
155.01039	55.9
196.16940	2.6
228.05557	2.5
229.04816	2.7
247.24142	4.2
265.25247	12.7
271.80096	2.3
339.28943	100.0
340.29181	3.7
354.40622	2.7
433.14243	3.1
475.28140	15.4
493.38953	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	493.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.8
53.94019	4.5
55.05507	32.9
57.03429	17.0
57.07075	64.1
67.05499	75.2
69.07062	25.1
70.20063	24.1
71.08628	42.5
73.44738	4.1
79.05498	52.8
81.03423	11.3
81.07052	53.2
83.04988	9.0
83.08623	25.4
85.06530	6.0
85.10161	21.0
91.05476	24.5
93.07041	57.0
95.04964	10.9
95.08611	49.8
97.06532	13.0
97.10182	18.7
105.06983	5.1
107.08575	39.6
109.10126	31.6
113.29388	5.1
117.06973	5.5
119.08556	5.2
121.10108	8.4
123.11703	5.8
131.08578	4.9
135.11665	59.0
145.10103	8.7
160.79453	4.7
163.11133	6.0
181.12247	13.2
183.14273	5.7
209.96109	5.3
224.53331	4.8
239.23654	15.9
255.20645	5.0
407.45648	5.3
493.38959	100.0
494.38889	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	494.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81118	1.8
53.24216	1.8
55.11338	1.6
62.32376	1.4
67.05497	2.3
69.29651	1.9
69.29967	18.5
73.75928	1.6
79.05477	4.3
81.07055	1.7
91.05472	6.1
91.24409	1.9
93.07025	2.0
93.77102	1.5
95.04945	1.8
95.17198	1.5
103.05465	5.8
103.77553	1.5
105.07030	11.8
118.04165	12.6
119.04947	6.2
121.06493	3.2
122.07214	1.6
124.05212	5.9
131.04866	1.8
133.06502	19.6
135.08055	3.7
137.06004	7.9
147.04410	5.4
150.06735	5.0
151.07547	4.4
161.05992	6.2
165.09091	11.5
179.07047	5.0
193.03215	3.9
193.08607	100.0
194.08987	1.9
255.06479	2.8
256.07022	2.4
284.06357	4.4
323.12695	3.5
464.14032	2.1
467.12094	1.6
494.15161	8.2
495.12915	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64165	1.8
51.50832	2.0
53.03933	7.7
55.01876	15.2
55.05270	2.6
55.05510	36.1
56.10182	2.2
56.96539	2.8
57.03441	11.7
62.11272	2.3
65.03932	6.6
67.05502	61.3
69.03412	7.8
69.07065	17.4
71.01343	3.4
71.04993	11.5
71.18063	5.1
73.02896	2.9
79.05492	66.9
81.03419	73.6
81.07058	60.9
83.04980	26.2
83.08617	34.7
85.02904	25.6
85.06539	6.4
85.30513	2.2
90.70638	1.8
91.05479	52.5
93.06479	3.2
93.07044	62.8
95.04967	44.6
95.08606	49.4
97.02873	10.3
97.06543	10.3
97.10175	14.0
99.04433	6.8
99.08062	2.7
103.05485	3.2
105.03390	3.2
105.07036	38.3
107.04960	21.4
107.08593	42.5
109.06502	9.8
109.10152	20.9
111.04432	9.6
111.08080	13.7
115.05444	3.6
117.07036	14.4
119.04927	2.6
119.08578	32.5
121.02845	3.5
121.06504	13.4
121.10144	26.0
123.04433	3.4
123.08041	5.2
123.11681	5.3
125.06004	6.7
125.09657	10.2
128.06216	3.2
129.06995	17.4
130.07823	2.8
131.08542	19.1
133.06468	7.9
133.10127	17.6
135.04398	3.3
135.08046	8.3
135.11682	44.7
137.05945	4.0
137.09604	3.1
139.03946	3.8
141.06909	2.1
142.07776	3.6
143.08533	4.8
145.06461	3.6
145.10133	33.7
147.08057	5.9
147.11685	15.0
149.09637	3.6
151.11168	2.2
153.12776	11.2
157.10088	15.4
159.11646	5.1
161.06003	2.9
163.11176	66.5
165.12738	4.1
167.08614	2.0
173.11761	3.0
175.11191	9.9
180.11732	2.3
181.12225	18.9
183.11650	3.7
185.13205	4.1
186.44261	2.2
189.11096	4.8
191.10655	7.1
193.12250	43.0
200.31516	2.6
209.11678	11.8
211.13284	46.3
213.12779	2.2
219.13762	3.7
221.08148	4.5
227.12770	100.0
229.14212	3.6
247.13235	8.9
249.14825	6.2
267.09018	2.6
267.15961	15.9
283.15347	7.2
285.09958	2.9
373.23642	3.5
383.21899	10.4
401.23209	7.6
475.26871	16.5
493.27945	69.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88161	0.6
53.03939	1.3
55.01881	1.5
55.05516	4.2
57.03411	1.3
63.37642	0.6
65.03931	1.4
67.05505	6.3
69.03422	1.3
69.07053	1.6
70.06587	0.8
71.04983	0.9
72.87079	0.6
77.03917	0.7
79.01826	0.8
79.05495	6.7
81.03413	5.8
81.07056	7.3
83.04981	1.8
83.08611	2.8
85.02918	1.7
86.75685	0.7
91.05482	14.1
93.07047	4.8
93.49509	0.7
94.04186	4.3
95.04960	5.2
95.08591	2.5
96.22126	0.6
97.02899	0.7
97.06557	1.3
97.10146	1.7
98.20711	1.6
100.11254	2.1
103.05471	6.0
105.07029	7.2
107.04948	5.1
107.08595	4.0
109.06512	2.4
109.10165	1.9
111.04426	2.8
115.05463	1.9
116.98654	0.8
117.07004	3.3
119.04929	5.5
119.08562	3.3
121.02837	0.7
121.06528	3.5
121.09250	0.6
121.10151	2.9
122.03664	10.3
123.04438	3.2
123.08042	1.4
125.06025	1.0
127.03895	0.9
128.06207	1.4
129.07021	3.8
131.04904	7.0
131.08565	3.7
131.42293	0.7
131.69775	0.7
133.06482	3.1
133.10104	1.4
135.04425	0.8
135.08075	2.1
135.11717	1.6
136.05214	1.3
137.05975	100.0
138.06316	1.3
141.06969	1.0
142.07787	0.8
143.08513	1.3
144.05620	1.0
145.06511	3.3
145.10135	3.2
147.04430	1.7
147.08041	1.4
147.11688	2.1
149.05989	4.7
149.09639	1.6
151.03896	0.7
151.07544	25.6
152.06232	1.4
153.01836	7.1
153.05499	1.1
155.08600	0.8
157.06523	1.8
157.09962	0.9
159.08121	1.2
161.05969	4.5
163.03905	1.4
163.06277	1.3
163.07552	16.0
163.11148	1.8
165.07004	3.5
165.09108	2.9
166.07755	1.1
167.07047	7.6
167.08560	4.0
167.19955	0.7
168.13811	0.8
173.05966	1.0
174.06834	1.3
175.07550	5.3
177.09187	2.2
178.07744	1.0
181.05009	0.9
181.06491	1.9
182.07248	1.4
182.15395	2.1
187.07594	2.4
189.09071	5.3
189.12758	0.7
190.06372	0.9
191.07138	1.0
191.10674	2.1
193.06546	2.7
193.12256	2.3
195.08073	6.6
201.09105	1.9
203.08711	0.8
203.10591	1.1
205.08557	1.2
207.08156	1.1
208.05219	1.2
209.06050	0.8
209.07895	0.9
209.09874	0.8
209.11734	3.0
210.06764	2.7
211.07506	1.3
211.13284	1.5
212.08293	1.0
213.09132	1.1
217.08566	1.0
219.08112	1.0
221.05971	3.2
223.07570	3.0
224.08313	1.9
225.09062	2.4
227.07024	1.2
227.10658	6.4
227.12680	1.3
231.07965	0.8
233.09848	1.1
236.04413	0.7
237.09200	1.5
238.06174	1.2
241.08530	1.1
249.09299	1.1
251.10674	1.7
252.07907	0.8
253.08606	3.4
253.12036	0.9
254.05737	0.9
255.06378	0.9
255.10199	6.9
263.09027	1.2
267.06824	0.7
267.10162	3.0
269.08023	1.7
271.05997	0.9
272.14642	0.8
277.08569	0.9
279.10117	1.1
285.11237	6.4
287.09479	1.5
287.12769	12.3
291.10342	0.9
295.20343	1.0
305.10391	1.0
307.09839	0.9
313.14377	2.2
315.08649	6.1
325.14258	1.2
330.11050	3.7
351.12329	0.9
351.16055	3.1
355.22772	0.9
383.15155	1.5
383.21985	1.6
401.23285	1.8
404.14658	6.8
415.19006	2.8
443.18439	1.9
444.64456	0.8
457.18475	1.0
475.26981	1.4
493.22220	0.9
493.28278	5.6
493.37482	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11622	7.1
55.01872	9.9
59.14834	9.6
64.53022	8.5
67.05490	13.0
67.10012	7.6
70.00460	42.9
79.05479	29.9
81.03413	19.3
83.04982	9.1
91.05508	16.7
93.07025	25.6
95.04974	18.9
95.08585	17.7
105.07051	10.2
107.04945	39.9
107.08595	16.5
114.96362	8.0
117.07033	12.0
120.66195	7.9
121.06548	11.9
121.10126	10.1
123.04498	9.6
129.06961	13.4
131.08572	14.1
145.06461	18.1
147.04469	9.8
147.08170	10.5
147.11612	8.7
147.55606	9.3
151.03899	10.5
151.07458	7.7
156.05606	9.1
157.06509	14.0
167.07060	100.0
168.07176	10.2
173.05978	34.8
187.07545	14.0
190.06241	10.6
191.07039	9.7
203.06870	10.3
205.08559	46.0
208.05232	14.9
209.64227	8.4
211.13606	8.6
217.08633	22.8
225.06625	10.0
236.04805	9.6
241.08609	12.6
269.08081	31.2
282.08823	15.9
315.08539	83.3
317.06628	14.8
329.10211	21.4
330.10962	69.6
331.08289	10.6
343.11804	13.4
351.12128	16.6
383.14951	19.4
401.15897	13.6
404.14597	79.3
405.15619	11.3
434.13403	11.6
448.15335	10.8
457.18539	17.4
475.19485	19.5
476.14337	9.6
493.28076	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	493.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.6
53.03920	0.7
55.01880	2.8
62.47898	0.5
65.03932	1.0
66.51225	0.6
67.05494	1.0
69.07056	0.7
70.00301	1.9
70.00726	1.5
70.06553	0.7
70.40455	0.5
79.05502	3.3
81.03397	1.4
81.07059	2.0
85.02913	0.9
87.01602	0.5
91.05490	9.1
93.07036	0.9
94.04189	5.4
95.04986	3.8
95.36198	0.7
97.02845	0.6
97.06590	0.6
103.05471	5.9
105.07033	4.0
107.04942	4.9
109.06509	1.9
109.10144	0.8
115.05455	2.5
117.07014	2.2
119.04964	4.1
119.08570	0.7
121.06522	3.2
122.03649	9.3
123.04413	2.6
128.06258	1.1
129.07004	2.3
131.04933	8.6
131.08556	1.2
133.03687	0.5
133.06473	3.8
133.10101	0.8
135.08066	2.4
136.05208	1.5
137.05977	100.0
141.07025	0.8
143.04871	0.8
144.05713	0.9
145.06456	3.9
147.04425	1.4
147.08023	1.0
149.05977	4.4
151.03914	1.2
151.07547	22.3
152.06189	1.2
153.01793	0.7
153.05539	0.9
153.06943	1.0
156.05742	1.1
157.06500	1.9
159.08025	1.7
160.05270	0.8
161.05986	5.8
162.06602	0.6
163.03889	0.9
163.07541	13.7
165.06979	2.7
165.09114	1.5
166.07800	1.4
167.07040	13.8
167.08569	4.5
169.06433	1.1
173.05969	2.4
174.06763	1.6
175.07536	3.8
177.05460	2.4
177.06902	1.0
178.07674	0.7
179.08469	0.8
181.04991	2.9
181.06499	1.5
182.07323	0.7
183.08102	1.0
187.07536	2.6
189.09105	5.2
190.06252	1.2
191.07053	1.2
191.08630	1.0
193.06487	2.3
193.08453	0.9
194.07288	0.7
195.08072	7.5
197.06030	1.0
197.09563	0.6
199.07483	0.7
201.09067	2.0
203.10623	1.0
205.06723	1.0
205.08560	4.2
207.08224	0.8
208.05219	2.3
209.07997	5.0
210.06798	2.1
211.07587	0.7
212.08363	1.1
217.08598	2.1
219.08066	1.6
219.10173	1.3
221.05975	3.5
223.07552	2.8
224.08330	1.7
225.09190	1.8
227.07031	1.1
227.10667	7.5
231.08037	0.7
235.07550	1.2
236.04695	0.7
237.09123	0.9
238.06294	1.2
239.06961	0.9
240.07713	0.7
242.05727	1.9
245.09770	0.9
247.07515	1.0
247.09691	1.6
248.08423	0.8
249.09178	0.9
251.10658	1.6
252.07724	0.8
253.08592	2.9
255.06366	0.7
255.07312	0.6
255.10217	9.0
258.05048	0.8
259.13480	0.8
263.06982	0.7
263.10788	0.9
267.06607	0.8
267.10031	1.4
269.08102	3.0
270.05286	6.9
271.05930	1.4
275.06876	0.6
279.10120	1.3
282.08960	0.9
285.11154	4.8
286.04730	0.7
286.08200	0.6
287.05695	2.1
287.12775	14.4
289.05991	0.7
291.10086	0.9
299.09036	0.8
301.03488	1.3
302.04236	1.3
305.11612	1.5
307.09485	0.9
313.14297	2.0
315.04974	21.6
315.08646	9.4
316.05753	7.3
319.13385	1.3
323.12466	0.8
325.14243	1.6
329.10318	1.8
330.10910	5.6
331.08112	51.8
332.08450	2.3
337.10602	0.8
337.14368	1.4
351.12106	1.6
351.15680	2.8
368.12292	1.0
383.14642	1.6
404.14676	8.6
412.80185	0.6
415.19055	2.7
443.18173	1.0
449.55228	0.9
475.19876	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.9
55.01834	1.5
55.05511	3.7
57.03404	0.9
58.19598	0.5
62.12729	0.5
63.92942	0.5
65.03909	0.8
67.05502	6.9
68.01234	0.5
69.03396	1.2
69.07030	2.4
69.37853	5.4
71.04990	0.7
73.02859	0.7
78.44429	0.5
79.05500	6.5
80.03973	0.6
81.03419	3.1
81.07064	7.0
83.04932	2.3
83.08575	2.0
85.02851	1.0
85.06514	0.6
91.04982	0.6
91.05482	8.2
93.07056	5.3
95.01301	0.8
95.04955	3.2
95.08617	4.4
97.02896	0.8
97.06503	0.9
97.10129	0.8
102.04639	0.8
103.05484	4.4
105.07032	7.8
107.04945	3.2
107.08595	3.1
108.02067	0.8
109.06470	1.2
109.10146	1.1
111.04398	1.0
111.08042	0.8
115.05512	0.7
117.06965	1.6
118.04175	2.8
119.04899	0.8
119.08593	3.3
121.02800	0.6
121.06505	2.6
121.10113	1.9
123.00793	3.1
123.04388	1.6
123.11679	0.9
125.09621	1.0
128.06166	1.8
129.06981	1.2
130.04124	1.5
131.04930	3.1
131.08533	1.5
132.05652	1.2
133.06494	5.1
133.10072	1.6
135.04434	2.6
135.07983	0.9
135.11687	2.6
137.05870	0.6
139.03868	0.7
141.06934	0.7
143.08557	0.8
145.06424	0.9
145.10086	2.3
147.04369	1.3
147.08031	0.7
147.11664	1.4
148.05156	1.5
149.05968	2.0
149.09584	0.8
152.00955	1.0
156.05681	0.9
157.10120	1.1
160.05199	0.7
161.05995	4.8
163.11147	2.1
165.12750	1.0
167.07005	1.6
168.05716	1.0
170.02034	1.6
171.08044	10.8
173.09575	0.6
175.11200	0.7
176.04695	2.7
177.05455	1.7
181.06451	1.3
181.12238	0.9
183.08047	2.1
184.05197	2.3
191.07043	3.9
193.08577	1.6
193.12221	1.5
196.05237	0.7
197.05956	0.7
209.05952	4.5
211.07483	1.6
211.13246	1.2
212.04601	1.4
223.03891	1.1
225.05405	0.6
227.07077	0.6
227.12735	2.9
229.08577	2.3
239.03340	0.8
239.07033	1.0
240.04108	1.6
240.07881	3.1
253.04890	0.8
255.06520	100.0
256.06967	2.0
267.15945	1.2
269.04251	0.6
281.07941	0.7
283.06024	41.0
284.06747	10.4
285.07568	19.9
285.10669	1.3
313.07010	1.0
339.08939	0.8
401.23370	0.5
461.28885	1.1
463.13876	5.5
475.13879	36.0
476.14420	0.9
493.14987	39.8
493.28030	3.6
494.15344	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1338
Annotation	5,2',3'-Trihydroxy-7,8-dimethoxyflavone 3'-glucoside
Peak:m/z	Relative Intensity
55.01857	0.5
57.03426	1.1
68.99799	0.5
69.03405	1.4
69.69224	0.4
71.01344	1.9
71.37785	0.8
73.02921	4.0
75.04480	0.5
77.86177	0.3
78.23635	0.3
79.96812	0.3
85.02905	9.7
86.09678	0.4
91.05469	0.8
92.02615	1.1
93.03394	1.4
93.06967	0.3
95.01311	1.4
95.08614	0.7
97.02859	0.6
99.00807	0.6
101.02350	0.4
103.03923	0.6
113.02374	3.7
119.04929	0.7
121.02885	1.5
121.10072	0.4
131.03381	3.2
131.84770	0.4
137.02325	0.7
137.05968	1.3
139.03888	1.1
141.01811	2.0
146.03537	0.6
147.04350	0.8
149.02394	0.6
150.03154	0.5
151.03914	1.3
151.56841	0.4
153.01823	12.6
153.03000	0.8
153.05463	0.4
159.02885	1.4
163.03870	1.1
164.04663	0.7
165.01854	1.3
167.03427	0.6
167.07051	0.6
177.05444	0.7
183.02953	0.3
186.19308	0.4
187.13586	0.4
200.04640	0.6
201.05435	0.8
203.03398	0.9
213.05437	0.6
216.04129	0.4
217.05000	1.3
218.05617	0.6
228.04158	3.7
229.04962	4.4
231.02916	1.0
241.04886	0.6
242.05779	1.4
243.06685	0.6
245.04456	1.6
246.05197	1.6
256.03595	1.4
257.04434	3.8
260.03156	0.4
269.04404	1.0
270.05215	1.2
271.06036	4.2
273.03882	2.2
274.04727	4.7
284.03198	1.2
285.03946	5.4
288.06219	0.5
297.03854	0.5
298.04745	4.6
299.05658	2.3
301.03452	1.7
302.04205	14.1
303.04742	1.1
315.04901	0.8
316.05817	4.8
317.06549	100.0
318.06967	3.3
331.08112	45.0
332.08374	0.8
434.89984	0.5
489.12265	0.4
493.26297	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	0.7
69.40832	0.8
69.41257	2.3
70.06582	0.4
74.02866	0.3
81.07075	0.6
85.02879	1.1
91.05476	0.5
93.07044	0.4
95.04993	0.6
97.02877	0.3
105.07032	0.5
107.04929	1.4
107.08594	0.4
109.10171	0.4
110.37290	0.4
117.07014	0.5
120.88119	0.3
123.04431	0.4
126.00482	0.3
131.04913	0.4
137.05981	1.1
145.06470	1.3
153.01843	0.9
156.05739	0.5
159.07889	0.4
161.05945	0.5
167.07022	4.8
170.91280	0.3
173.05956	1.7
177.05414	0.5
179.14331	0.4
190.06227	0.5
203.03386	0.4
205.08507	1.8
207.06429	0.5
208.05219	0.5
209.08084	0.7
211.07567	0.4
213.05492	0.3
217.08652	1.0
219.10069	0.4
228.04248	0.4
241.04726	0.3
241.08585	0.7
242.05742	2.1
247.09583	0.9
248.08157	0.4
258.05203	1.8
269.04449	0.5
269.08066	1.6
270.05240	7.1
271.06012	1.5
271.09616	0.5
273.03952	1.7
282.08566	0.4
286.04669	1.3
286.07837	0.4
287.05481	3.4
298.04822	0.8
299.05496	0.9
300.06152	0.4
301.03430	2.2
302.04205	2.4
313.03506	0.4
315.05023	30.0
315.08572	4.0
316.05737	5.8
317.06604	2.1
323.12885	0.6
329.10199	1.2
330.11053	2.6
331.08112	100.0
332.08331	2.4
335.15405	0.3
343.11765	0.7
351.12289	0.9
369.12997	0.4
372.59662	0.3
383.14911	0.9
401.15878	0.6
404.14743	4.6
417.15298	0.4
443.17007	0.5
457.18381	0.6
475.19647	0.5
493.24210	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.134
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
54.32625	0.3
68.99801	0.4
70.14979	1.4
71.06355	0.3
90.43159	0.3
91.05483	0.6
95.04935	0.4
101.32690	0.3
118.04132	0.4
119.04955	1.0
123.04456	0.4
124.01508	0.4
131.04866	0.4
137.05975	0.6
147.04407	1.2
149.02344	1.7
153.01840	4.4
153.05472	1.1
158.03633	0.4
161.06026	0.5
164.04645	2.6
167.06960	0.4
168.05655	0.6
169.06508	0.4
170.02129	0.7
179.03401	0.5
185.06035	0.4
186.03142	0.4
186.06815	0.4
197.05962	0.4
200.04684	0.9
201.05368	0.4
203.03596	0.4
204.04156	0.9
212.04501	0.4
213.05450	2.7
214.06342	0.8
215.07019	1.2
217.05070	0.5
225.05597	0.4
228.04175	3.8
229.04951	0.8
231.02888	0.6
234.33658	0.4
240.04233	0.9
241.04958	3.8
242.05756	8.2
243.06479	2.2
245.04572	0.4
253.04974	1.4
255.02925	0.5
256.03677	2.9
257.04425	0.5
268.03650	1.2
269.04416	1.8
270.05240	6.2
271.06021	13.6
272.06491	0.4
273.04013	1.1
281.04379	0.4
284.03195	1.2
285.04056	0.4
287.05554	0.8
297.04013	0.6
298.04724	6.1
299.05484	6.5
301.03448	1.6
315.05072	0.8
315.08658	0.4
316.05750	11.3
317.06284	0.6
331.08121	100.0
332.08353	2.3
416.70514	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1337
Annotation	Betuletol 3-glucoside
Peak:m/z	Relative Intensity
52.04828	0.5
62.29343	0.4
63.73376	0.5
68.69205	0.4
70.74111	1.3
77.49714	0.5
79.05500	0.5
85.02916	0.6
91.05472	0.5
95.08643	0.4
111.52800	0.5
147.04416	0.5
149.02292	3.1
153.01831	13.4
153.05424	0.8
164.04681	2.2
167.03352	0.7
167.07050	0.8
179.03339	0.9
200.04720	1.1
216.04071	0.5
217.05014	0.6
228.04189	5.8
231.02850	2.6
241.04990	0.6
242.05751	2.0
243.06583	1.4
256.03619	4.1
270.05240	1.4
271.05984	6.5
273.04031	3.5
284.03165	3.1
285.03873	1.3
287.05408	0.7
288.06250	1.1
298.04736	2.7
299.05499	6.5
301.00024	0.9
301.03427	15.2
303.08795	0.9
315.04901	0.7
315.08456	0.7
316.05771	13.2
326.62805	0.5
331.08099	100.0
332.08643	2.2
369.07794	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1338
Annotation	Betuletol 3-galactoside
Peak:m/z	Relative Intensity
67.05512	0.4
68.99792	0.4
69.39826	3.4
70.06585	0.8
82.06568	0.4
83.04981	0.4
85.02882	0.7
85.04188	0.3
86.09718	0.6
97.02878	0.4
108.76797	0.3
111.04404	0.8
119.04910	0.4
123.04448	0.5
125.95503	0.4
135.04462	0.5
137.02293	0.7
137.05966	0.9
139.03877	1.2
149.02338	0.3
150.03104	5.6
150.04257	0.5
151.03899	0.4
153.01811	0.5
157.14722	0.3
163.03894	0.6
164.04622	0.5
167.03394	10.9
179.03365	0.5
183.04440	0.5
184.03662	1.4
191.03400	1.5
197.05992	0.6
200.04756	0.7
211.03918	0.5
212.04622	0.5
215.06956	0.4
225.05482	1.5
227.03430	0.7
227.07014	1.2
228.04175	2.0
229.04950	0.7
231.06560	0.8
234.91803	0.4
241.04939	0.6
242.05675	5.1
243.06509	4.4
245.04449	0.8
253.04980	2.4
254.05588	0.9
256.03683	0.8
257.08090	0.7
259.06195	0.5
270.05219	2.4
271.06049	4.5
273.03949	0.6
275.09149	1.5
281.04385	0.4
282.05145	1.6
283.06091	0.7
284.03036	0.6
285.07608	3.6
287.05484	0.4
289.03519	1.2
295.01349	0.3
298.04813	0.6
298.44965	0.4
299.05511	6.4
303.05109	0.4
313.07037	3.1
315.05072	0.8
316.05777	9.0
317.02924	1.1
317.06555	3.0
319.04593	0.7
331.08115	100.0
332.08417	2.4
493.15347	0.6
493.22180	0.7
518.28839	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0976
Annotation	6-Methoxykaempferol 3-glucuronide
Peak:m/z	Relative Intensity
53.20293	0.3
57.03421	1.3
57.04685	0.3
67.01858	0.4
67.05534	0.3
68.99767	0.5
69.03414	0.6
70.48134	0.9
71.01357	2.2
73.02915	4.4
75.04489	0.4
77.92251	0.3
81.03403	0.3
81.07073	0.4
85.02902	10.2
87.49429	0.3
92.02603	1.0
93.03384	0.8
95.01315	1.6
97.02872	0.6
99.00793	0.4
101.02383	0.4
103.03944	0.6
109.02939	0.3
113.02380	3.2
121.02840	1.2
126.03159	0.4
131.03395	3.2
137.02382	0.5
137.05954	0.6
139.03903	1.0
141.01868	1.7
143.99443	0.3
149.60983	0.3
151.03894	0.7
153.01825	8.8
159.02916	1.6
165.01839	0.5
173.05849	0.3
177.05446	0.3
195.51793	0.3
200.04721	0.5
201.05406	0.9
203.03383	0.7
211.86183	0.3
217.04893	0.9
218.05714	0.8
228.04195	1.9
228.06119	0.3
229.04927	4.4
231.02832	0.7
245.04433	1.0
246.05247	2.2
256.03650	0.8
257.04449	2.2
260.03116	0.6
271.06064	0.6
273.03909	2.1
274.04718	3.6
284.03174	0.4
285.03946	4.0
286.04547	0.3
288.06458	0.3
298.04611	0.6
299.05618	0.5
301.03452	0.6
302.04211	14.3
303.04892	1.2
316.05811	0.9
317.06555	100.0
318.06888	2.8
331.08151	6.8
331.41055	0.3
493.26315	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2717
Annotation	Zygosporin G
Peak:m/z	Relative Intensity
53.03945	1.6
54.43705	1.4
55.05511	9.3
57.03425	3.7
62.06047	1.7
63.91286	1.3
67.05510	18.5
69.07065	6.6
69.54954	10.8
71.08286	2.0
71.08631	25.5
79.05501	16.9
81.03378	1.8
81.07056	23.4
83.04972	4.8
83.08604	3.8
91.05048	1.6
91.05483	14.4
93.07040	25.8
95.04976	3.6
95.08609	15.0
97.06544	3.6
97.10152	1.4
98.21533	2.4
99.08089	16.7
103.83109	1.3
105.07023	9.3
107.04946	4.0
107.08607	12.6
109.06548	2.1
109.10138	6.4
113.09605	2.1
113.58036	1.5
119.08569	7.9
121.10146	12.3
123.11672	1.8
129.07030	2.3
131.08531	3.3
133.10075	7.1
135.11691	15.6
141.09056	1.8
145.10023	1.7
147.11673	4.1
149.13206	6.0
151.10097	1.5
151.11142	7.7
153.01733	1.5
159.11630	2.0
161.13261	7.1
163.11180	5.9
169.31424	1.5
171.11736	1.6
177.12796	2.1
179.14311	46.4
189.12677	2.0
235.16957	1.9
241.19522	2.4
259.20517	3.6
277.21600	28.2
320.25800	4.6
333.24588	2.0
351.25284	100.0
352.25583	3.1
353.00864	1.4
433.63232	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16333	0.7
55.05497	2.8
57.03429	1.7
60.04502	1.9
62.96689	0.7
67.05503	1.7
68.99796	0.8
69.03435	4.2
69.07047	1.4
70.06597	1.4
71.04984	1.5
71.58594	1.6
77.03961	0.8
79.05476	2.6
81.03411	1.8
81.07066	6.0
82.06573	2.2
83.04993	4.7
83.05376	0.9
83.08614	1.7
84.08131	0.9
85.02901	7.9
85.06557	1.0
86.09686	1.0
87.00813	1.5
91.03959	0.7
91.05486	2.3
93.07030	3.4
95.04955	2.9
95.08627	1.5
97.02876	3.3
97.06544	1.8
99.04426	1.7
105.01852	2.4
105.07032	1.9
107.04919	1.4
107.08599	3.9
109.02885	2.3
109.06520	6.6
109.10186	3.7
111.04421	1.7
111.08083	1.6
115.04003	0.8
117.07007	1.1
119.08579	2.2
121.06495	1.1
121.10130	5.4
123.04409	1.7
123.08089	1.4
123.11713	1.1
125.09612	1.6
127.03928	3.3
131.04933	1.0
131.08582	1.4
133.10138	3.6
135.04390	1.9
135.08066	1.6
137.05963	2.8
139.03883	6.2
139.11214	1.4
145.04932	1.6
145.06520	1.5
145.10149	0.9
147.04353	1.0
147.11681	0.9
149.02361	1.0
149.13254	2.2
150.03133	1.2
151.03917	1.8
151.11122	1.7
152.01010	0.9
153.01834	4.3
153.09119	3.1
154.08604	1.3
161.06038	1.1
163.03925	1.4
163.14857	1.4
167.03406	9.3
167.07065	10.0
167.14291	2.4
168.07387	5.7
173.05957	1.9
173.13226	2.6
177.05486	1.7
177.09105	1.0
179.03429	5.9
181.04919	2.1
181.06422	1.4
181.15918	1.2
191.03395	2.8
191.14319	3.2
200.04634	0.9
205.08475	0.8
209.11771	1.8
209.15381	13.1
212.04709	1.0
213.05577	0.9
216.12268	0.9
217.04939	1.8
218.05766	1.3
219.06482	2.2
226.06230	1.2
226.45042	0.8
227.12662	0.9
227.16463	1.5
228.04146	3.8
241.08572	1.7
242.05756	1.0
243.06567	8.6
245.04507	1.5
256.03546	1.2
269.08078	2.5
271.06012	8.8
284.03030	2.6
285.07611	2.0
298.04675	1.5
298.15710	0.8
299.05484	8.4
299.13678	1.0
300.14120	1.4
301.10760	1.7
303.08536	1.1
316.05676	5.4
316.13873	3.7
317.06494	6.7
317.14496	4.1
330.14343	0.9
331.08118	100.0
456.29526	1.2
462.18384	1.4
492.16574	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	492.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.7
54.68955	4.8
55.01864	9.0
55.05500	10.9
55.21518	4.4
57.03444	5.7
61.02915	7.0
67.05495	6.9
69.03434	39.5
69.07067	9.7
70.06590	9.3
71.04971	4.8
71.58022	9.4
73.02914	7.5
79.05499	7.1
81.03423	29.4
83.04995	27.2
83.08598	9.7
84.04510	6.7
85.02904	94.6
87.00834	53.8
87.84866	4.3
91.05466	8.0
93.07038	15.1
95.08600	11.1
95.50513	6.3
97.02898	34.5
99.04464	11.1
105.01865	94.7
105.07021	8.0
107.08588	73.3
109.02879	32.4
109.06521	5.9
109.10130	12.9
111.08070	15.0
119.08546	7.4
120.08089	4.6
121.06508	7.7
121.10126	19.9
127.03925	73.3
133.10141	42.8
135.08073	9.9
135.11679	9.0
137.09616	17.4
142.03192	6.4
145.04964	25.0
147.11693	5.4
149.13246	17.7
151.11185	10.0
153.01888	7.2
153.09122	25.1
159.02972	11.2
163.14810	7.1
167.03291	6.1
173.13387	9.3
185.69455	4.4
191.14288	100.0
203.04802	5.9
209.15364	30.7
231.04950	17.6
249.06081	9.7
303.14886	4.6
316.05731	7.6
327.47131	4.6
331.08130	40.8
439.65811	6.0
492.17035	5.4
492.30060	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	492.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.5
55.01889	4.4
55.05515	10.5
57.03444	6.9
61.02942	5.6
67.05511	7.9
68.15665	3.6
69.03424	43.5
69.07084	6.5
70.06586	4.5
71.04996	9.0
71.12099	7.6
73.02937	5.2
79.05504	9.2
81.03432	19.4
81.07079	7.9
83.04981	26.5
83.08632	8.2
85.02908	88.0
86.09757	5.1
87.00818	37.1
91.03940	4.2
91.05486	9.5
92.89443	3.3
93.07077	13.0
95.04987	8.0
95.08600	4.3
97.02882	33.5
97.10181	4.0
99.04482	12.7
102.11185	3.2
105.01860	73.0
105.07047	6.7
107.04967	3.9
107.08588	64.3
109.02875	26.9
109.06518	7.3
109.10155	7.6
111.08112	15.1
119.08599	8.5
120.08096	3.8
121.10124	19.0
125.09727	3.9
127.03921	68.2
127.07588	5.0
129.00975	3.2
131.08543	5.2
133.10135	35.3
135.08116	7.3
135.11728	9.7
137.06091	4.3
137.09662	14.6
142.03191	3.3
145.04970	28.9
147.11725	4.8
149.13295	10.9
151.11201	9.6
153.01869	7.5
153.09109	25.1
159.02914	8.4
163.14879	6.7
167.14375	4.4
173.13335	8.2
181.80679	4.0
191.14305	100.0
209.15364	32.9
213.03922	4.2
228.04207	3.5
231.04948	15.9
249.06131	5.5
316.05887	5.2
331.08154	46.3
381.63397	3.5
389.10742	3.2
394.56671	3.9
492.29984	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	491.3
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
51.40791	3.4
53.03938	12.5
54.98901	4.0
55.01866	11.8
55.05513	40.2
57.03441	7.6
57.07070	4.4
59.04994	5.2
63.45963	4.0
65.03939	4.1
67.05504	60.8
67.05838	6.5
67.57059	3.3
69.03416	4.7
69.07069	24.3
69.27956	4.1
69.28257	46.6
71.04993	25.1
79.05492	86.5
81.03410	17.0
81.07057	71.5
83.04977	12.7
83.08615	23.0
85.02921	5.4
85.06538	10.5
91.05476	54.7
91.11749	5.2
91.45711	3.4
93.07046	76.2
95.04974	42.1
95.08617	34.3
97.06529	11.7
97.10175	24.5
98.21469	7.8
103.05457	6.7
105.07018	33.4
107.04960	68.3
107.05626	5.9
107.08600	37.2
109.06525	34.4
109.10156	27.5
111.08093	6.6
117.07026	25.4
119.08593	21.1
121.06493	49.5
121.10153	43.6
121.29547	3.5
123.04430	7.7
123.11680	4.7
125.09653	24.7
129.07016	23.3
131.04904	5.0
131.08577	40.0
133.06517	6.6
133.10162	12.4
135.08046	16.1
135.11740	9.2
137.05981	7.7
137.09656	5.0
141.06972	7.6
143.08572	15.2
145.06493	24.2
145.10077	18.6
147.04349	4.0
147.08069	10.6
147.11723	10.8
149.05968	4.1
149.09621	17.5
150.71935	4.2
151.07539	7.0
153.09114	8.6
153.12691	4.5
155.08565	6.6
157.06471	5.2
157.10106	7.8
159.08051	13.5
159.11681	9.4
161.09689	7.2
163.11211	8.8
165.07063	4.1
167.07060	15.9
167.08456	3.7
167.10699	7.8
169.10117	10.3
171.11679	13.4
173.09625	6.1
173.13272	14.0
175.11256	8.6
181.05031	5.6
185.09686	7.3
185.13222	5.2
187.11224	4.8
189.09424	4.2
189.11238	17.2
191.14343	9.1
193.12286	10.3
195.11731	5.3
197.13173	5.0
199.11305	5.0
199.13301	10.3
201.12624	3.9
213.12692	8.0
215.14352	5.0
219.13808	20.6
223.13344	4.3
231.13884	5.8
233.15417	8.1
237.12727	6.6
239.14322	8.6
249.14990	10.0
257.15509	7.7
273.14880	11.1
275.16452	11.6
287.16403	5.4
339.23227	8.2
349.21658	20.1
357.24304	4.8
367.22791	39.2
385.23666	59.7
399.08658	5.7
403.24844	10.4
417.26434	7.6
427.08105	4.1
441.26254	11.5
459.27396	91.7
460.11511	9.1
473.28815	12.6
491.30017	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3004
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
51.02387	2.8
53.03937	11.0
55.01870	6.0
55.05511	35.3
57.03424	11.0
64.53115	2.8
65.03937	5.8
67.05174	4.7
67.05508	60.3
69.03387	5.3
69.07060	8.3
69.94180	19.2
71.04990	8.1
79.05070	6.1
79.05498	69.8
81.03423	45.1
81.06590	3.7
81.07059	70.1
83.04971	13.2
83.08627	23.0
83.11929	2.8
85.02897	10.9
85.06554	5.8
91.05483	100.0
93.07040	54.8
93.93378	3.1
95.04964	41.3
95.08620	29.3
97.02854	3.6
97.06492	6.2
97.10162	14.7
103.05457	4.5
105.07030	60.4
107.04941	11.2
107.08606	20.5
109.06502	9.6
109.10136	10.5
111.08071	5.7
115.05445	3.9
117.07034	20.8
119.04933	6.3
119.08599	35.9
119.28139	2.8
121.06521	6.8
121.10145	10.1
123.08067	8.8
123.11689	11.5
125.09635	9.1
128.06236	5.3
129.07024	22.1
131.08575	17.2
133.06482	3.7
133.10118	20.7
135.11716	4.3
137.09575	5.5
139.11206	3.6
141.07028	4.4
142.24950	3.2
143.08490	15.7
145.10146	14.6
147.04376	8.5
147.08031	4.8
147.11700	40.3
149.09698	6.5
155.08534	5.1
157.10095	9.1
157.23463	3.5
159.11650	5.3
161.09642	7.7
161.13248	8.9
171.07962	3.6
171.11736	19.7
175.11163	6.7
179.14294	3.3
187.13309	8.3
189.11194	7.1
189.12733	8.5
193.12289	31.1
207.13750	15.3
211.13240	19.2
213.13396	3.1
223.14915	3.4
227.12790	4.0
249.14899	12.0
267.15891	21.0
281.17471	15.0
363.23178	4.6
381.24237	6.9
399.25241	8.2
473.29010	44.2
491.30209	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	491.3002
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
51.02364	2.8
53.03945	9.5
55.01863	5.9
55.05517	40.0
57.03428	17.3
65.03951	2.7
67.05504	78.3
69.07053	13.4
71.04994	7.6
74.66637	2.8
79.05495	85.7
81.02982	4.6
81.03422	59.6
81.07056	79.5
83.04997	18.2
83.08620	25.7
85.02905	20.7
91.05482	100.0
93.07043	77.8
94.72808	2.5
95.04974	43.6
95.08605	27.0
97.06528	6.5
97.10174	10.7
103.05458	5.3
104.59833	3.2
105.07031	67.7
107.04956	14.4
107.08602	23.5
109.06516	8.0
109.10167	7.0
111.08070	10.5
115.05462	4.7
117.07015	16.9
119.08582	40.8
119.90668	2.5
121.06499	7.2
121.10159	10.0
123.08089	7.0
123.11713	12.1
125.09598	7.7
127.07560	3.4
128.06235	7.0
129.06998	23.1
131.08580	20.7
133.10129	23.3
135.11761	4.8
137.09625	3.2
142.07805	3.9
143.08553	18.0
145.10127	12.6
147.08073	7.4
147.11693	44.9
155.08571	5.6
157.10135	12.7
161.09641	4.1
161.13249	14.1
165.12784	5.2
171.11687	23.9
175.11203	9.9
189.11250	5.7
189.12766	11.1
193.12265	31.1
205.13139	2.6
207.13803	19.4
211.13257	26.7
225.14842	4.4
227.12823	4.1
229.15927	2.9
232.51205	2.6
249.14798	7.1
267.15915	14.5
281.17505	17.4
363.23230	4.5
381.24377	5.4
386.39966	2.8
392.22708	2.8
399.25424	6.5
455.27832	2.8
473.28918	35.1
491.30078	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	491.3003
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03944	7.1
55.01878	4.6
55.05510	35.3
57.03432	15.4
59.04949	3.2
59.47944	3.4
59.63904	3.3
59.77347	3.0
63.24413	3.1
67.05170	6.4
67.05503	75.4
69.03429	5.3
69.07064	15.6
71.04968	6.4
71.59344	4.9
79.05494	90.3
81.03416	58.7
81.07054	70.4
83.04991	20.2
83.08630	25.1
85.02908	16.1
85.06535	5.4
91.05482	100.0
93.07038	76.6
95.04967	42.9
95.08606	38.8
95.18448	3.6
97.06538	9.7
97.10177	9.8
99.04477	3.2
105.07028	66.6
105.07684	5.5
107.04946	16.1
107.08588	27.5
109.06516	9.9
109.10158	11.1
111.08078	10.2
111.19902	3.6
117.07010	19.9
119.08577	46.0
121.06523	7.5
121.10146	8.6
123.08092	7.4
123.11713	8.3
125.09629	5.8
128.06290	4.0
129.07031	25.5
131.08565	20.6
133.06493	6.0
133.10139	20.4
135.11713	4.7
142.07758	4.4
143.08569	14.5
145.06497	3.7
145.10143	15.7
147.08028	8.4
147.11684	34.6
149.09660	4.6
157.10107	11.4
161.13232	9.4
171.11646	21.4
175.11192	9.5
189.11250	5.8
189.12793	10.6
193.12270	38.0
207.13792	23.7
211.13258	27.7
213.10637	3.9
249.14816	8.2
267.15976	14.6
281.17480	22.0
381.24405	4.0
399.25183	6.2
427.77548	4.1
455.28082	3.9
459.38934	3.9
473.29004	37.5
491.29877	46.2
494.27393	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	491.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.4
53.03943	0.7
55.01858	0.9
55.05510	9.3
57.03439	3.1
57.07058	1.1
65.03925	1.8
67.05504	12.0
69.07069	11.7
71.04975	0.9
78.86069	0.3
79.05488	5.2
81.03381	0.3
81.06581	0.8
81.07058	15.3
83.04965	1.3
83.08615	6.8
85.06538	0.8
91.05478	14.8
92.26052	0.4
93.07046	5.7
95.04955	1.1
95.08607	13.2
97.06524	1.9
97.10169	5.3
99.08079	0.7
105.07021	3.1
107.04963	0.4
107.08602	3.2
109.06457	0.6
109.10156	5.1
111.08077	1.0
111.11703	2.0
117.06993	0.5
119.04941	27.0
119.08602	2.7
121.10139	4.6
121.36373	0.4
123.08078	0.8
123.11689	1.9
125.09613	0.5
125.13219	0.6
129.05501	0.5
133.10135	2.3
135.11687	4.4
137.09627	0.8
137.13235	0.8
139.11209	1.0
145.10114	0.5
147.04405	100.0
147.11702	1.7
148.04753	1.2
149.13251	0.8
151.11119	0.6
151.14830	1.1
153.12804	0.6
161.13269	1.3
165.05469	10.0
165.12730	0.8
175.14862	1.0
189.16161	0.4
217.19582	3.6
221.08167	0.5
235.20576	4.3
243.08737	0.8
245.24664	0.3
253.21599	1.2
309.24228	2.2
327.25296	15.6
378.15231	0.8
491.29541	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.3
53.03933	3.4
55.01861	3.7
55.05513	14.4
57.03432	3.8
57.07057	1.5
58.55983	1.1
65.03928	2.1
67.05170	1.8
67.05503	27.1
69.07064	12.8
69.32674	12.0
71.04975	1.6
77.03886	1.2
79.05485	22.4
81.03410	10.5
81.06585	1.5
81.07051	26.2
83.04986	5.4
83.08612	9.6
85.02906	3.4
85.06494	1.5
90.92223	1.2
91.05480	27.6
93.07045	17.5
95.04955	12.7
95.08606	17.6
97.06524	4.4
97.10168	5.7
102.36440	1.2
105.07034	16.0
107.04948	2.9
107.08595	12.5
109.06505	3.2
109.10156	7.1
111.08107	2.8
111.11712	1.9
117.07060	3.0
119.04936	19.9
119.08583	10.4
121.06497	1.7
121.10121	7.1
123.04428	1.1
123.08031	1.7
123.11690	4.4
125.09621	2.0
129.07019	5.4
131.08565	4.2
133.10101	5.9
135.07947	1.5
135.11662	4.3
143.08549	3.1
145.10117	2.7
147.04405	100.0
147.11705	7.4
149.13298	1.3
157.10112	1.9
161.13223	4.4
163.11237	1.7
165.05492	14.2
165.12735	2.4
171.11722	6.3
175.11209	1.7
179.14249	1.4
182.14064	1.3
189.12735	3.5
193.12259	5.9
207.13805	6.1
211.13293	4.6
217.19414	2.3
221.08037	1.4
225.14853	1.5
235.20515	3.4
249.14604	1.1
259.90274	1.2
267.15891	3.4
281.17572	1.9
309.24216	2.7
327.25244	14.7
381.24146	1.5
416.02808	1.2
460.05191	1.1
473.29245	7.1
482.21927	1.2
491.30200	9.7
519.63202	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3002
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
55.05501	35.9
56.15334	7.6
57.03422	9.1
64.08867	10.8
67.05506	70.2
68.05846	8.9
69.07063	16.3
69.92596	45.6
70.41331	9.9
72.64697	8.3
73.89165	7.7
79.05491	69.9
81.03412	40.7
81.07049	74.1
83.04980	12.9
83.08632	20.4
85.38819	9.0
86.90508	9.8
88.82434	10.4
91.05476	100.0
92.53724	8.2
93.07044	57.0
95.04965	33.6
95.08610	28.6
97.06516	12.8
97.10162	24.7
105.07020	75.9
107.04957	14.9
107.08567	29.4
109.06549	10.2
109.10181	12.7
117.07056	34.4
117.91515	8.9
119.08566	39.8
120.30322	8.3
121.06458	9.3
123.11668	15.0
129.07014	30.5
131.08594	21.8
133.10107	19.3
143.08580	17.6
145.10138	11.7
147.11697	27.9
155.16820	9.9
157.10176	15.1
171.11711	22.3
187.13210	9.5
189.11290	10.4
193.12224	21.3
207.13708	15.5
227.12740	11.9
229.30080	8.8
249.14804	21.0
267.15894	16.1
281.17599	25.9
381.24063	18.6
399.25256	23.6
449.95929	10.2
473.28909	73.7
491.30392	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12259	23.6
67.05486	100.0
69.07044	27.2
70.04784	37.7
70.05196	95.7
79.05494	38.9
81.07048	54.4
91.05433	25.3
93.07030	46.5
95.08612	56.3
105.07008	28.1
109.10153	56.4
118.98503	25.5
119.08582	33.0
121.10132	31.7
137.94865	22.3
145.10054	28.2
183.06694	23.6
209.85837	22.8
210.70354	23.2
301.66724	24.5
491.29968	88.7
491.36923	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	491.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99257	31.0
56.16243	31.4
61.20478	28.0
70.78439	100.0
77.63928	32.7
107.08601	34.3
176.95300	31.6
201.16719	31.3
239.48109	35.1
491.29813	94.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
61.59873	23.9
65.36938	22.0
65.77213	23.6
68.35749	21.0
70.55493	23.9
70.55838	83.0
130.77290	24.1
219.92847	23.9
276.95383	28.2
354.53012	27.3
491.29980	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.5
55.01861	0.7
55.06274	0.5
65.03911	1.8
67.05470	0.8
69.03408	1.2
71.58627	0.8
74.97514	0.5
77.16098	0.4
78.04685	2.2
79.05470	1.5
80.53514	0.4
81.03367	0.6
81.07048	1.2
82.04185	0.6
84.08096	1.8
85.02871	2.0
86.09657	0.5
91.05470	2.4
95.04955	1.6
97.02865	0.6
97.06512	0.8
103.05434	1.6
105.06993	0.5
106.04166	1.2
107.04921	1.7
109.02783	0.6
115.05447	4.7
117.07014	7.3
119.08549	0.7
123.04422	6.8
124.05184	2.2
125.05975	0.8
126.44585	0.5
127.03894	0.6
127.05401	1.0
131.04944	0.7
133.06490	0.5
134.03566	0.7
137.05978	1.6
139.03893	0.8
145.06476	14.3
147.04425	0.7
147.07973	0.6
148.07681	0.6
151.03886	2.2
152.04649	1.7
153.05470	1.0
155.06062	3.2
161.05927	0.6
165.05501	0.8
167.07033	100.0
168.07368	1.9
171.06563	1.0
173.05980	20.5
179.03413	0.6
181.04951	21.0
201.05478	0.7
205.08633	3.9
205.62920	0.5
217.05057	0.6
218.05817	0.6
233.08110	8.8
235.09631	4.1
241.10741	1.7
247.30183	0.6
258.03561	0.5
285.10370	0.6
315.13300	0.7
316.14258	2.3
341.10419	0.7
355.11792	1.7
372.12085	2.2
386.13742	0.7
387.14429	7.6
417.15356	8.1
461.18118	10.5
491.19159	35.2
492.19531	1.8
503.04648	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.9
55.05495	1.1
57.75602	0.8
65.03918	3.2
67.05473	3.2
69.03417	1.0
69.07067	1.4
69.25660	4.3
69.26087	3.1
72.05233	0.7
78.04699	2.2
79.05499	4.8
81.03400	2.3
81.07033	3.2
82.04189	0.9
83.04971	1.4
85.02899	3.3
91.05482	4.2
93.07024	1.9
95.04984	3.7
95.08604	2.7
97.02893	1.3
97.10182	0.7
103.05460	10.3
105.03368	0.9
105.07047	3.6
106.04182	1.2
107.04954	6.3
107.08553	2.1
109.10135	1.8
110.03640	1.6
115.05467	4.4
117.07013	8.1
118.04115	2.1
119.04934	1.7
119.08553	1.1
121.02847	0.8
121.06477	1.9
123.04417	7.2
124.05200	2.9
125.05972	1.4
127.05424	1.0
130.04169	1.1
131.04922	7.7
131.08582	1.5
132.05750	1.2
132.55960	0.7
133.02803	2.0
133.06459	2.1
133.10072	1.0
135.04254	0.9
135.08067	1.0
135.11665	0.8
137.05952	2.2
137.13286	1.0
144.05684	0.8
145.06482	12.7
147.04401	1.9
147.07968	1.0
148.05196	5.5
149.05963	0.8
151.03888	1.4
152.04683	1.8
153.05460	1.9
154.08595	2.0
155.06018	3.0
159.08012	1.2
161.05904	1.9
161.09625	0.9
161.13109	0.8
162.03102	4.4
163.03998	0.9
163.07545	9.2
165.09073	1.6
167.07040	100.0
168.07269	1.4
171.06512	3.0
173.06001	19.0
176.04648	1.1
177.05457	2.8
181.04956	42.8
190.06256	1.0
191.07034	36.7
192.07509	1.1
195.06578	1.2
201.05461	1.4
205.08611	4.5
209.08017	3.3
223.05719	0.7
228.04143	1.3
233.08069	8.3
235.09715	3.1
241.10709	3.2
247.13272	0.9
255.08667	2.0
256.03802	1.3
271.06091	1.2
297.03937	0.9
299.05487	1.6
314.04236	4.6
323.09094	0.8
325.10526	1.1
329.06580	15.5
329.10165	1.9
330.07101	1.8
337.03735	0.8
355.11703	1.4
372.11996	1.1
385.12799	1.2
387.14322	6.2
392.94193	0.8
394.17178	0.8
399.14673	1.4
417.15384	6.6
442.74750	0.7
461.18045	8.4
473.19070	0.8
491.19156	30.6
491.25949	1.3
492.19351	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01866	0.9
55.05476	0.6
56.96561	0.5
65.03941	4.0
67.05487	1.5
69.03415	1.4
69.07056	0.7
70.78646	0.9
70.79010	0.8
71.04962	0.5
78.04700	2.5
79.05484	3.8
81.03410	0.8
81.07056	1.7
82.04163	1.1
85.02892	1.9
91.05494	3.1
93.07053	0.8
95.04974	2.5
95.08578	0.4
96.05775	0.7
97.06503	0.8
102.84463	0.4
103.05476	5.0
105.03352	0.8
105.07039	1.8
106.04169	1.0
107.04960	5.0
107.08546	0.6
108.02056	0.5
109.06538	0.9
109.10127	0.8
110.03657	1.6
111.04462	1.2
115.05447	4.5
116.77415	0.4
117.07021	8.0
118.04134	1.6
119.04908	1.0
119.08556	0.9
121.02855	0.4
121.06518	1.0
123.04431	7.1
124.05250	2.6
125.05994	1.7
125.09570	0.5
127.05457	0.7
129.05475	0.7
131.04932	4.5
132.05690	0.8
133.06508	1.2
134.03583	0.5
135.11746	0.7
137.05965	1.6
138.03157	0.7
139.07596	0.5
142.02586	1.1
145.05394	0.9
145.06482	13.4
147.04416	0.8
147.08049	0.8
148.05180	2.3
151.03896	1.4
151.07523	0.7
152.04686	2.5
153.05457	1.0
155.05995	2.6
161.06007	1.8
163.07553	3.6
165.05504	1.3
167.07042	100.0
168.07393	1.6
171.06522	2.5
173.05992	20.2
174.06473	0.5
175.07596	0.9
176.04739	0.6
177.05461	0.6
181.04959	44.5
182.05362	0.7
191.07022	15.9
193.04938	0.5
195.06511	1.5
201.05600	0.7
205.08609	4.7
209.08049	2.8
217.05231	0.5
217.08778	0.7
219.08246	0.7
233.08083	9.4
235.09593	3.7
241.10698	3.9
255.08711	1.0
263.09286	0.5
265.08725	0.5
268.07346	0.5
279.10495	0.5
280.14246	1.1
302.63507	0.5
308.59814	0.5
313.07059	0.8
315.17831	1.9
325.10574	0.5
329.10236	3.8
338.35583	0.5
339.12421	0.5
344.12088	0.5
355.11838	2.0
366.10925	0.5
367.11945	0.7
372.12109	1.8
381.13470	1.0
385.12866	1.0
386.13330	0.8
387.14325	6.2
395.75748	0.5
399.14355	1.7
417.15506	7.0
461.18076	8.3
491.19193	28.2
492.19757	1.7
506.40369	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.4
53.54564	0.4
55.01859	0.9
57.03412	0.8
60.95813	0.4
65.03941	2.5
67.05489	1.6
69.03419	1.3
69.07058	0.5
69.73278	1.2
69.73688	1.9
76.10040	0.4
78.04704	2.4
79.05491	2.4
81.03409	1.5
81.07043	0.9
82.04185	0.7
84.08103	0.4
85.02911	2.4
86.09689	0.6
91.05470	4.0
92.39708	0.5
93.03371	0.6
93.07027	1.4
94.04172	0.5
95.04977	2.2
95.08585	0.6
97.02893	0.8
97.06526	1.1
98.21457	0.6
103.05470	6.7
105.07006	1.9
106.04154	1.6
107.04948	5.0
107.08608	0.5
109.02908	0.6
109.06535	1.0
110.03659	1.1
111.04407	1.0
115.05455	4.3
117.07019	7.2
118.04180	1.5
119.04928	1.4
121.06498	0.7
122.03656	1.7
123.00743	0.5
123.04435	7.6
123.11693	0.4
124.05237	2.8
125.05997	0.7
127.05414	1.1
128.06172	0.5
129.06964	0.7
131.04922	5.0
132.05676	0.7
133.02827	1.0
133.06471	1.3
135.04471	0.9
137.05972	21.2
138.03098	0.6
138.06299	5.6
139.03888	0.7
142.02577	0.7
143.04901	0.6
145.06477	13.3
146.06865	0.5
147.04390	0.7
147.08000	0.6
148.05186	3.1
149.05969	0.9
151.03926	1.6
151.07542	1.6
152.04657	1.8
153.05443	1.5
155.06042	3.9
157.06425	0.6
161.05965	1.2
163.07552	5.4
165.05492	0.7
167.07037	100.0
168.07359	1.8
171.06520	2.3
173.05988	20.8
175.03784	0.5
175.07529	1.1
176.04657	0.7
177.05516	0.5
181.04945	34.6
182.05373	0.7
190.06216	0.6
191.07025	16.7
195.06490	0.9
205.08583	4.7
209.08029	1.4
213.41704	0.5
215.09256	0.5
233.05850	0.6
233.08073	7.9
235.07491	0.6
235.09622	4.1
236.07964	0.5
241.10716	1.6
247.07454	0.5
255.08603	1.7
263.06836	0.9
263.09204	0.6
272.73810	0.4
283.09641	0.5
283.17462	0.6
287.05493	2.5
287.08746	0.6
291.10059	0.5
309.11435	0.6
315.17972	0.8
317.11758	0.5
318.11081	0.5
327.12109	0.6
328.17432	0.8
329.10233	1.2
329.17917	1.1
336.41492	0.5
348.35599	0.5
355.11990	1.0
372.12064	1.4
385.12900	1.3
386.13644	1.3
387.14395	6.0
399.14218	1.0
417.15427	6.7
461.18057	8.7
473.19489	1.0
491.19122	29.6
492.19510	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
55.01861	2.8
55.05510	3.8
57.03428	1.2
65.03940	4.1
67.05502	6.6
68.99805	0.8
69.03425	2.3
69.07065	1.9
70.62293	0.7
70.92698	0.9
71.04993	1.1
71.58556	1.1
73.06532	0.9
78.04700	2.8
79.05494	7.8
81.03426	2.4
81.07044	6.8
82.04208	1.1
83.04980	1.9
83.08604	2.1
85.02906	3.5
91.05470	8.0
93.07071	4.9
93.07588	0.8
95.04960	5.9
95.08601	3.3
97.06521	1.6
97.10173	3.7
103.05463	11.6
105.03381	1.8
105.07039	4.5
106.04190	1.1
107.04957	9.4
107.08585	2.9
109.06532	3.5
109.10172	2.9
110.03689	1.6
111.04414	1.2
111.08092	1.2
115.05446	6.2
117.07011	10.5
118.04185	3.0
119.04959	2.0
119.08611	2.7
121.06522	4.0
121.10179	2.2
123.04448	9.0
123.08064	1.1
123.11697	1.1
124.05225	3.0
125.05980	1.8
125.09641	2.3
128.44640	0.8
129.06975	1.5
131.04916	9.0
131.08568	2.6
132.05768	1.1
133.02882	1.6
133.06491	2.6
133.10094	2.0
135.08073	2.9
135.11684	0.9
137.05954	4.3
138.03148	1.1
139.03903	1.1
139.11133	0.9
143.08597	0.9
144.05717	1.1
145.06490	14.4
145.10104	1.7
147.04454	2.1
147.08031	1.6
147.11652	0.8
148.05200	6.5
149.06026	1.9
149.09605	1.2
151.03893	1.3
151.07565	1.5
152.04620	1.9
153.05479	2.2
153.06903	1.1
153.09178	1.2
155.06038	3.0
157.10091	1.1
159.08151	1.0
161.06015	1.7
161.09608	1.4
163.07547	9.5
165.05576	1.1
165.09114	1.4
167.07036	100.0
168.07358	2.0
171.06584	3.2
173.05975	21.2
173.13274	1.2
175.07603	2.5
176.04697	1.5
177.05453	1.8
181.04953	46.7
187.11188	0.9
189.11205	1.9
191.07027	30.8
192.07747	1.2
193.08615	1.3
193.12300	1.2
195.06537	2.0
201.05542	0.9
205.08644	3.8
207.06563	1.2
209.08128	4.7
217.04921	0.9
219.10223	0.9
219.13875	2.8
221.08124	1.0
233.08043	10.6
235.09618	5.8
241.08536	1.3
241.10698	2.0
255.08670	2.8
268.15381	0.8
273.14981	0.8
286.08380	1.5
299.08853	1.1
317.04840	1.2
319.25946	1.0
324.34540	0.9
329.06708	1.3
349.21686	1.1
355.11847	1.9
367.22824	1.9
385.13037	1.6
385.23795	2.0
387.14215	6.2
399.14438	1.3
417.15302	6.8
445.25604	1.0
446.07928	0.9
447.08118	0.8
459.27197	4.4
461.17950	10.0
473.18292	1.3
491.19131	32.3
491.30292	3.6
492.19452	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.9
59.04990	1.0
69.03432	13.9
71.09940	1.7
80.63197	0.9
85.02905	11.7
87.04465	6.5
92.05011	1.0
97.02877	6.7
115.03925	3.4
119.06074	13.1
122.06058	0.9
133.05011	1.7
147.05511	9.9
148.06300	40.9
149.07092	34.3
150.05521	1.6
165.06595	26.0
166.07419	5.0
179.08160	40.3
197.09206	48.6
218.70471	1.1
352.07986	0.9
353.06647	1.2
359.14474	100.0
360.14725	3.5
491.18683	22.2
492.19122	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05558	0.4
65.03915	1.6
67.05488	1.0
69.03420	0.5
69.36128	4.0
69.36528	0.7
71.16652	0.5
74.55747	0.4
78.04694	2.0
79.05469	1.2
81.03407	0.5
82.04198	0.5
85.02876	1.2
91.05456	1.6
95.04946	1.3
97.02927	0.5
97.06502	0.7
98.21651	0.5
103.05444	1.5
106.04167	1.3
107.04940	1.9
109.02807	0.5
110.03646	0.7
111.04375	0.6
115.05457	4.3
117.06216	0.7
117.07014	8.2
123.04425	7.4
124.05245	2.4
125.05941	0.7
127.05370	1.1
134.03627	0.6
137.02371	0.4
137.06013	1.1
138.03105	0.7
145.06473	12.8
147.07959	0.5
151.03903	1.2
152.04666	2.4
153.05487	0.7
155.06027	4.2
167.07036	100.0
168.07413	2.4
171.06528	1.2
173.05986	19.5
175.07623	0.6
181.04948	22.6
189.05386	0.5
190.06221	0.6
201.05453	0.7
205.08595	4.8
233.08098	9.4
235.09639	4.0
241.10715	1.4
243.06520	0.7
251.68672	0.5
287.05569	0.6
327.12415	0.6
329.06552	3.0
355.11676	2.2
356.12283	0.7
369.13208	0.5
372.12158	1.9
385.12772	0.6
386.13443	0.7
387.14352	6.2
417.15448	7.4
432.11438	0.5
461.18027	8.7
462.18668	0.8
491.19131	34.0
492.19415	1.4
499.66229	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36774	0.6
52.01233	0.6
56.91262	0.6
60.67475	0.7
69.07073	1.0
69.81081	4.0
75.20931	0.6
77.60056	0.5
91.05494	1.0
94.06569	0.7
106.06500	0.8
107.07330	1.0
114.21008	0.6
119.05009	0.8
120.08136	1.4
132.08112	1.2
137.05948	0.7
140.07037	1.5
146.06073	0.7
147.06792	0.8
148.07552	2.0
158.05957	0.9
164.79991	0.6
167.06982	0.9
168.06569	1.7
174.07892	4.5
175.08667	1.2
175.89542	0.6
188.09369	0.9
198.09192	0.9
199.08545	2.9
200.09380	1.6
201.06560	0.9
201.10246	4.4
205.04787	1.0
209.10603	0.6
211.08592	1.4
213.10265	2.2
214.10944	1.5
215.11810	6.3
216.12584	1.4
224.09322	0.9
225.10254	2.5
226.11024	1.9
227.08194	2.7
227.11732	4.6
229.09702	4.7
229.13403	4.0
239.11815	4.9
241.09752	1.7
242.10519	2.4
243.11308	3.4
244.12114	1.7
248.46799	0.7
253.13370	2.0
255.11313	5.6
257.12820	3.4
269.12769	3.7
270.13580	1.1
271.14563	1.2
273.12302	3.3
281.12842	4.1
283.10748	1.7
287.13864	6.6
288.14560	1.0
297.12311	3.3
298.13116	2.1
299.13904	32.6
315.10541	0.4
315.13382	21.1
316.14182	76.9
317.14435	3.3
369.14365	0.8
370.32483	0.7
430.79578	0.6
431.14368	2.1
463.17249	1.5
473.15744	0.9
491.16583	100.0
492.16898	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	491.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.4
55.01858	2.6
57.03434	1.1
61.02912	1.1
65.03928	2.5
68.62627	0.5
68.99798	0.7
69.03427	6.9
70.98978	1.0
71.04988	1.2
73.02909	2.7
79.05473	1.6
81.03410	8.4
85.02903	19.6
87.00827	5.3
91.05479	100.0
92.05824	1.8
97.02889	5.4
99.04465	3.7
103.05422	0.6
105.01871	4.8
105.07029	79.0
106.07378	1.0
107.04984	0.8
109.02879	8.3
111.04395	0.8
115.05450	1.8
117.01826	1.1
123.04417	1.2
127.03915	16.6
129.01862	1.7
133.06494	12.5
135.04399	0.8
137.02325	1.0
139.03925	1.6
142.86450	0.5
145.04944	5.4
147.02832	0.9
147.04402	1.2
159.02887	7.2
187.40085	0.5
220.51451	0.5
225.09087	3.2
231.04967	2.2
243.10164	67.3
244.10489	1.5
285.11154	0.7
415.02219	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15771	1.4
53.03939	4.1
55.01869	6.3
57.03433	3.8
59.65769	1.6
65.65060	1.6
68.99793	2.5
69.03428	16.6
70.98305	2.2
71.05003	3.6
73.02905	4.8
75.72304	1.5
79.05495	1.8
81.03416	20.6
85.02906	40.3
87.00839	14.6
88.44360	1.6
91.05479	11.9
93.07043	2.0
95.04946	4.0
95.08576	1.5
97.02893	15.8
99.04470	8.1
99.14855	1.4
105.01869	10.3
105.07031	5.8
107.04961	12.7
109.02892	16.5
117.01894	3.1
119.04958	10.8
121.02844	3.2
121.06513	20.5
123.04446	5.7
127.03924	31.6
129.01849	3.5
131.04918	3.6
133.06506	10.2
135.04398	3.9
137.05989	3.4
139.03902	11.6
145.04984	9.0
145.06487	3.7
147.02887	2.6
149.06000	12.0
149.07051	2.4
150.06854	1.6
157.06451	1.8
159.02858	14.7
159.08096	1.9
161.05971	1.7
165.06976	4.4
167.07059	4.9
169.06493	2.4
177.05559	1.6
181.04964	1.5
182.07228	2.0
183.08073	4.5
194.07285	2.2
197.09412	2.0
207.08116	2.5
210.06795	3.5
211.07574	4.3
212.08253	1.8
223.07501	2.1
225.09123	4.2
231.05095	4.4
239.10760	1.8
242.09319	3.1
243.10162	100.0
244.10568	1.9
253.08595	4.4
255.10197	6.2
262.93140	1.6
267.10187	8.8
279.10150	3.1
285.11130	10.2
309.11096	4.5
333.11420	3.7
351.12219	5.8
355.83362	1.6
491.19046	2.9
491.29559	1.9
491.35480	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	491.1185
Annotation	Kaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.03949	3.0
55.01880	0.7
57.03436	1.0
61.02919	1.0
65.03934	0.5
66.62778	0.3
67.84750	0.4
68.99781	0.7
69.03084	0.5
69.03432	8.2
69.69488	3.0
69.98791	0.4
71.04966	0.7
73.02916	1.1
75.07583	0.4
79.05482	0.8
81.03421	11.3
85.02895	5.5
91.05500	0.9
95.04964	0.5
97.02888	5.6
99.04435	1.7
103.03998	0.6
103.05456	0.8
105.03400	0.4
107.04939	1.3
109.02882	7.4
111.00780	0.9
115.05460	0.6
117.07031	0.9
121.02878	3.6
123.04428	0.9
123.28983	0.4
124.05161	0.4
127.03921	6.2
131.04947	0.7
133.02809	0.6
135.04425	0.4
137.02377	0.9
137.05971	1.7
145.04976	1.0
145.06511	2.0
147.04388	0.9
148.05185	0.4
153.01822	3.7
157.06429	0.5
161.05991	0.6
165.01889	2.1
167.07034	12.1
173.05988	2.4
181.04962	4.8
183.02899	1.1
187.06032	5.3
191.07039	2.1
205.19540	0.4
213.05460	1.8
231.06522	0.6
240.22984	0.3
241.04953	0.7
258.05292	1.3
287.05502	100.0
288.05746	3.0
324.01828	0.4
387.14197	0.7
417.15509	1.0
461.17999	1.3
491.19196	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
55.01870	2.2
55.05515	2.7
68.11890	2.1
69.03428	8.5
69.69334	2.1
70.06585	4.1
71.11833	4.4
72.08140	3.8
79.05481	3.5
81.03413	5.4
81.07034	5.3
84.08151	2.7
85.02908	31.1
86.09710	8.2
87.00811	3.6
91.05476	6.1
93.07043	4.3
95.08607	4.1
97.02888	7.0
99.04486	2.1
105.01858	4.6
105.07070	9.6
107.08612	4.3
109.02888	5.8
109.06463	2.4
109.10133	3.4
119.08569	15.5
120.08130	3.5
121.10114	3.4
123.11729	19.2
125.05981	2.5
127.03896	4.9
130.06519	3.6
131.04939	3.5
131.08536	3.5
132.08133	3.0
133.06503	7.4
133.10127	2.6
137.06009	4.2
145.02747	2.4
145.04947	3.5
145.10106	12.2
147.11685	24.5
149.09526	2.2
156.09381	6.8
159.02921	2.5
159.08026	3.0
159.09157	5.1
170.06035	2.5
171.11682	6.3
174.10454	3.2
177.05463	4.6
189.12747	100.0
200.14412	2.3
206.11513	2.0
207.10231	2.7
207.13777	24.9
223.07547	4.0
225.14848	3.5
272.17517	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	490.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18661	1.0
59.04987	3.5
60.86938	1.0
70.06570	1.3
71.57366	1.3
84.08134	1.4
85.06557	2.1
86.09686	2.2
101.06013	3.0
103.05453	7.7
107.04910	1.6
113.41780	1.1
120.08098	100.0
121.08288	1.0
127.07578	2.6
129.10216	1.7
131.04932	3.0
145.08600	4.8
163.09657	3.0
166.08636	43.3
205.57524	0.9
234.99004	2.0
292.78329	1.1
316.87259	1.1
371.85199	1.2
383.04269	3.0
393.12161	1.3
421.99811	1.3
454.80139	1.2
490.25665	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3572
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
50.56799	1.5
53.03951	3.3
55.01862	1.9
55.05508	16.5
57.03426	5.8
57.07071	4.3
59.04992	2.0
65.03949	2.4
67.05504	79.2
69.07068	14.9
69.32811	9.9
69.33240	9.3
71.05000	2.6
72.89622	1.8
79.05495	32.5
81.07058	41.6
82.33865	1.7
83.08626	11.1
85.06546	2.9
91.05482	29.0
93.07049	33.6
95.04977	3.6
95.08607	27.7
97.06513	2.5
97.10148	2.8
98.20716	3.0
105.07028	22.5
107.08590	21.7
109.06470	2.5
109.10157	47.6
111.08006	1.8
115.05500	1.9
117.07009	9.8
118.29792	1.7
119.08577	25.1
121.10143	18.5
123.08064	2.8
123.11724	2.8
125.09658	3.9
129.06947	4.6
131.08568	16.5
133.10132	20.1
135.11671	11.1
137.09642	3.6
142.07854	1.9
143.08534	4.2
145.10143	12.6
147.11691	11.2
149.13263	4.4
155.08566	3.4
155.10619	3.0
157.10132	5.4
159.11690	14.1
161.13269	6.0
163.14835	2.3
169.10152	2.8
171.11693	4.7
173.11748	14.8
173.13306	7.6
175.14827	2.9
183.11737	3.9
185.13297	3.8
187.14832	3.9
197.13315	2.9
199.14847	2.7
201.16336	2.6
211.14862	3.2
225.16344	1.7
238.07605	1.6
241.19679	1.9
261.22232	3.9
285.22083	2.6
299.23630	2.7
337.25345	2.2
363.25253	2.2
377.26773	2.4
379.30042	11.1
391.28784	2.0
397.30948	13.9
415.32150	5.4
451.20871	2.1
471.34650	14.5
489.35794	100.0
490.36017	5.0
510.49969	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07137	1.3
53.03935	5.3
55.01869	6.9
57.03426	4.6
60.04520	2.1
60.05454	1.4
61.02913	2.8
66.92834	1.3
68.99795	2.3
69.03427	18.6
70.06571	4.7
71.04968	3.6
71.57901	1.7
72.08140	4.3
73.02899	5.7
74.06097	1.6
81.03410	24.2
84.04458	1.7
84.08143	1.9
85.02904	51.7
86.09707	11.7
87.00829	19.6
91.05466	10.5
91.70975	1.3
94.52538	1.3
94.81787	1.2
97.02882	24.2
99.04462	9.7
99.86404	1.3
105.01858	21.4
108.04482	9.3
109.02878	24.9
117.01798	1.9
119.04956	17.1
120.08132	1.9
126.05511	3.2
127.03914	42.7
129.01814	3.3
129.10173	1.4
132.10234	1.4
139.03886	1.6
145.04948	14.6
147.04410	14.1
153.01820	5.6
159.02875	12.1
159.11284	2.1
163.03903	1.5
164.04698	2.4
175.03920	30.6
177.05446	2.3
179.07054	1.7
187.14548	1.3
192.04207	7.8
201.54849	1.3
207.06529	100.0
208.06886	2.2
213.03929	4.2
225.05492	2.3
225.07587	33.4
230.06616	2.3
231.05049	6.6
248.07607	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3572
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.03931	3.9
55.01875	4.0
55.05508	26.9
56.27727	2.3
57.03430	7.5
57.07072	10.8
60.60756	2.6
65.03948	3.7
67.05505	82.5
69.03427	3.6
69.07069	17.3
69.91665	14.6
71.01348	5.5
71.04987	4.6
71.08635	10.4
73.02911	5.2
79.05490	43.5
81.03444	2.3
81.07053	57.3
83.04951	3.7
83.08606	13.7
85.02910	13.1
85.06550	4.6
85.10194	5.5
87.75109	2.4
91.05484	31.5
93.07043	53.3
95.04972	9.5
95.08607	50.9
97.02903	6.9
97.10184	7.9
103.03910	2.7
105.07036	33.4
107.08592	27.1
107.61720	2.2
109.10149	56.2
111.08076	4.1
117.07027	12.5
119.08568	38.9
121.10125	18.6
121.29746	2.5
123.11705	6.3
125.09636	5.1
129.07050	9.2
131.03453	4.7
131.08542	22.9
133.10126	23.4
135.11702	10.8
137.09669	3.2
143.08595	8.6
145.10164	16.9
147.11664	16.7
149.13310	9.9
155.08702	4.3
157.10178	5.1
159.11739	11.7
161.09537	3.1
161.13261	12.3
163.14771	3.9
169.10231	4.6
171.11748	7.5
173.11778	13.2
173.13350	11.4
183.11693	4.4
185.13332	5.3
187.14815	7.6
197.13332	5.9
199.14954	4.9
211.14903	3.3
225.16473	3.5
239.23732	3.4
259.20752	4.2
261.22192	4.6
273.22437	3.0
285.22198	3.5
299.23456	2.5
313.27554	7.8
327.29077	3.0
379.29892	12.9
391.28928	3.7
397.31064	21.4
415.32065	5.8
433.33124	4.3
442.29901	2.6
453.34293	2.7
471.34689	12.5
489.35913	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3573
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
53.03936	2.8
53.35738	1.5
55.05508	19.5
57.03430	4.7
57.07072	3.3
59.05001	3.0
65.03925	3.4
67.05505	95.8
69.07067	17.6
69.91008	9.5
71.04997	4.3
79.05065	2.1
79.05497	31.4
81.07054	45.5
83.08624	11.3
85.06544	3.4
85.99966	1.9
91.05482	30.1
93.07042	39.1
94.63631	1.5
95.04964	5.4
95.07991	2.0
95.08603	34.6
95.09177	3.4
97.06532	3.0
97.10181	4.8
105.07032	30.6
107.08605	26.9
108.76451	1.6
109.06537	1.9
109.10159	57.2
111.08080	3.6
117.07018	11.4
117.07742	1.9
119.08581	29.0
121.10153	20.7
123.11687	2.3
129.07030	4.9
131.08572	17.4
133.10124	18.8
135.11690	11.4
137.09644	4.8
143.08585	6.9
144.61929	1.7
145.10118	17.7
147.11667	14.5
149.13319	4.7
155.08574	2.3
155.10701	2.2
157.10152	5.5
159.11700	11.6
161.13239	8.0
163.14862	3.2
169.10112	3.6
171.11743	6.9
173.11760	16.6
173.13312	10.6
175.14809	3.9
183.11703	3.8
185.13289	5.1
187.14859	5.0
197.13274	1.7
199.14893	3.4
213.16478	3.1
239.17805	1.9
261.22223	5.0
271.20593	2.1
285.22015	2.9
299.23737	3.5
377.26981	2.2
379.29858	9.0
397.31055	14.8
415.32056	5.2
471.34827	12.1
489.35797	100.0
490.36490	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	489.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01840	3.5
55.05513	21.3
57.03428	8.3
57.07063	4.3
59.39743	3.7
67.05171	6.3
67.05503	82.6
69.07067	21.2
69.60934	7.6
69.61355	22.9
74.53065	3.1
79.05487	34.6
80.81291	3.6
81.07051	40.9
83.08601	10.8
85.06529	5.0
90.34036	3.2
91.05469	29.6
93.07037	40.8
95.04993	5.2
95.08597	40.0
97.10144	4.9
98.20808	4.0
105.07021	29.2
107.08593	26.0
109.06490	4.2
109.10152	49.8
117.07008	11.8
119.08586	37.7
119.71162	4.1
121.10150	26.9
129.07007	8.9
131.08545	30.8
133.10078	19.3
135.11684	11.1
137.09563	5.6
141.06970	5.3
143.08557	11.1
145.10109	23.8
147.11684	15.7
149.13202	3.7
155.08527	5.0
157.10081	11.9
159.11705	20.0
161.13284	8.9
169.10095	6.1
171.11705	8.6
173.11702	13.6
173.13255	12.6
183.11665	5.8
185.13271	9.5
187.14868	5.9
197.13242	3.9
199.14879	6.1
201.16364	7.7
259.20505	5.8
261.22253	6.9
299.23682	4.8
379.29749	12.8
397.30991	25.5
415.32297	5.3
471.34766	19.7
489.36612	100.0
507.71710	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	489.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	30.0
55.07548	9.8
57.22468	9.2
57.76034	9.0
59.85104	11.1
61.62760	9.5
64.55511	10.2
66.82865	11.6
67.05492	48.3
69.07052	41.9
71.15789	11.2
71.58471	16.3
72.08147	53.8
73.08480	25.3
79.05494	43.8
81.03392	16.9
81.07061	72.3
83.04947	15.4
85.02924	20.5
91.05479	38.0
93.07036	35.8
95.04971	21.4
95.08595	50.3
97.02849	14.3
97.06522	13.8
104.38490	10.5
104.39132	11.6
105.07036	43.2
106.08194	11.3
107.04968	22.4
107.08591	49.6
109.06588	13.0
109.10146	30.5
112.91896	10.4
119.08577	38.3
121.06522	11.2
123.04441	22.1
127.08658	14.6
131.04890	12.7
131.08566	18.1
133.10091	22.3
135.11673	24.9
137.05963	23.5
137.09624	21.0
137.13257	15.4
143.08162	79.3
144.08510	30.3
145.10193	12.3
147.11740	15.2
149.09610	14.9
149.13318	13.1
151.07561	16.8
157.10129	15.7
165.09131	14.9
167.07056	100.0
168.09453	10.5
173.05971	27.8
181.04956	37.4
185.65659	12.0
191.07051	13.0
203.06877	10.5
211.14391	51.2
212.14786	37.6
239.09172	15.8
239.13959	17.4
265.18454	12.0
304.06705	11.6
310.21231	15.4
311.21613	24.3
453.24225	17.4
459.16733	13.0
489.17526	52.0
490.18439	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	489.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10932	6.2
55.05513	23.8
57.03430	6.1
57.07060	12.7
61.02936	6.9
67.05502	25.0
69.03432	19.4
69.07074	72.7
70.06592	14.5
71.08611	12.2
71.58672	9.7
79.05486	21.5
81.03406	8.1
81.07060	100.0
83.04989	9.0
83.08616	18.7
84.85555	6.5
85.02901	24.5
85.06557	15.2
86.09741	7.0
91.05470	18.5
91.71796	6.4
93.07056	43.4
95.04978	8.8
95.08604	78.8
97.02910	8.6
97.06572	9.2
105.07034	21.8
107.08584	35.4
109.06523	7.8
109.10163	39.9
111.08056	9.0
111.11718	18.2
119.08572	16.0
121.10160	29.7
123.11719	39.0
127.03801	7.5
131.08563	14.9
133.10078	10.3
133.41615	7.3
135.11694	21.6
137.05992	20.8
137.13249	21.0
139.11194	18.4
145.10190	9.8
147.11690	9.3
149.13260	31.4
151.07495	9.8
153.12637	10.5
158.69965	6.5
161.13348	7.1
163.14775	12.6
165.12749	7.2
167.07095	21.7
175.07542	8.8
177.16574	6.9
217.19324	7.6
272.58878	7.0
279.26752	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	489.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82772	3.7
53.03959	3.9
53.39851	3.7
55.01860	4.7
55.05520	18.9
56.96563	5.8
57.07061	13.8
59.04992	4.0
59.44616	4.6
60.04527	3.5
62.99781	3.6
63.39510	3.5
65.03932	5.3
67.05505	33.7
69.03409	11.7
69.06787	3.8
69.07080	52.5
71.08620	4.0
76.37332	3.8
79.05489	23.9
81.03414	6.7
81.07061	100.0
83.04984	5.2
83.08620	17.5
85.02901	20.8
85.06551	9.8
87.04434	4.5
91.05469	15.2
93.07045	48.1
95.04950	8.6
95.08607	76.4
97.02883	12.5
97.06529	11.3
97.10167	7.1
99.08079	5.5
99.75042	3.6
103.05519	4.9
105.07039	20.7
107.04944	15.4
107.08599	50.4
109.06512	6.9
109.10165	62.1
109.32628	4.0
111.08113	10.1
111.11707	10.3
117.07044	5.0
119.08575	14.3
121.06537	6.4
121.10151	33.6
122.03708	4.5
123.04414	5.9
123.08047	5.1
123.11710	57.2
129.06972	5.1
131.04904	4.9
131.08540	5.8
132.97998	4.3
133.02890	5.3
133.10115	6.0
135.11694	29.3
137.05971	15.2
137.13283	27.2
139.03918	5.4
139.11176	7.6
143.08530	4.5
145.06488	6.6
145.10056	5.7
147.04361	6.2
147.11713	6.7
149.13254	23.3
151.07561	4.6
153.01840	57.5
153.12709	7.2
159.08092	7.8
159.11717	5.4
161.13286	7.3
163.14795	11.0
165.05470	5.5
166.06236	7.0
167.07043	57.3
168.07402	4.7
175.07565	8.7
175.14883	5.1
176.19653	4.1
177.16357	7.5
181.05006	8.9
185.13306	4.8
187.07578	7.7
189.09143	4.8
191.07036	5.6
191.17938	5.1
195.06476	5.6
203.17906	4.1
205.08554	8.2
209.08067	10.5
217.08649	11.4
241.08516	8.7
251.07089	5.8
253.08562	5.1
255.08676	11.5
261.09155	8.4
269.08197	4.9
271.06119	6.5
273.25644	6.1
275.10593	4.7
277.08521	4.9
281.15088	14.3
291.26874	12.1
293.07959	5.6
299.09210	5.8
301.10867	4.7
305.10153	10.8
307.09567	7.2
321.10889	5.4
327.08646	8.9
329.10269	18.8
330.10956	5.1
339.12344	8.0
343.11597	4.3
351.12296	9.9
369.13177	7.5
381.13522	11.6
382.13882	9.2
383.14688	5.9
399.13809	5.5
418.12491	21.4
419.13959	5.2
425.15787	7.1
431.13797	5.7
471.16446	16.3
489.17429	11.8
489.23441	11.3
489.33945	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	489.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	6.1
55.01873	6.0
55.05509	24.7
57.03441	29.6
57.07074	99.6
67.05504	84.1
68.44765	6.6
69.03433	16.2
69.07073	32.4
70.19006	17.7
70.19428	9.1
71.01346	39.4
71.08636	66.7
73.02914	35.7
74.04184	4.7
75.04488	5.3
78.68649	5.4
79.05503	28.7
81.07059	91.1
83.08631	36.3
85.02425	7.2
85.02905	85.1
85.06501	6.7
85.10192	34.5
87.04453	13.7
91.05466	24.9
93.07059	34.1
95.01331	22.3
95.04942	6.1
95.08604	88.1
97.02882	35.0
97.10148	23.4
99.00816	10.6
99.04498	8.3
99.08086	5.8
101.02389	12.6
103.03941	16.3
105.07025	22.5
107.08593	18.7
109.10154	63.0
111.11749	6.4
113.02361	32.7
117.06978	8.2
119.08552	26.5
120.65853	5.6
121.10140	12.4
123.04547	5.4
123.11696	15.4
129.09094	5.4
131.03430	24.8
131.08569	18.7
133.10123	15.2
135.11691	4.9
137.13258	8.4
141.01819	53.2
143.08563	6.9
145.04984	6.2
145.10106	13.3
147.11674	7.2
148.52908	4.8
157.10207	5.0
159.02881	11.8
159.06401	6.6
159.11646	11.0
169.04997	11.3
173.11775	11.6
173.13272	10.3
183.11681	5.5
187.06021	8.9
187.14806	5.8
197.04555	9.2
199.19568	4.8
215.05472	14.6
239.23711	71.3
313.27344	100.0
313.30740	9.1
329.20306	5.1
355.28552	8.7
381.00363	5.3
397.30963	16.2
433.33527	6.9
444.20621	6.3
489.29758	11.1
489.36530	39.1
511.88663	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	489.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26927	0.4
53.03941	0.6
54.45202	0.4
55.01858	1.3
55.05515	4.1
57.03447	2.7
57.07068	0.8
60.87185	0.5
64.96881	0.4
65.03928	1.2
67.05502	14.4
69.07066	5.4
70.13493	2.0
71.04977	1.1
71.08619	1.3
79.05492	8.9
81.03415	0.8
81.07053	16.8
83.04951	0.7
83.08608	3.1
85.06521	0.7
86.09675	0.4
91.05476	13.2
93.07035	7.2
95.04974	2.6
95.08606	12.2
97.06510	2.2
97.10161	1.4
98.20683	0.5
98.98467	9.4
99.08064	1.0
105.07011	4.0
107.04960	0.5
107.08585	5.0
109.06512	2.6
109.10160	4.4
111.08059	1.7
117.06985	0.7
119.04939	20.7
119.08567	2.8
121.06498	2.4
121.10143	5.5
123.08045	0.7
123.11688	2.6
129.05458	0.8
129.07021	0.5
131.08531	2.0
133.10115	4.4
135.08014	0.9
135.11699	3.4
137.09644	1.0
137.13268	0.8
139.32787	0.4
140.56183	0.4
145.10106	2.4
147.04405	100.0
147.11685	1.4
148.04774	0.6
149.09624	0.5
149.13257	1.4
151.11215	1.5
159.11716	1.5
163.11156	1.3
165.05487	15.8
165.06883	0.8
165.12769	6.5
171.11713	0.5
173.02107	2.1
173.11893	0.5
173.13269	0.5
177.12657	0.5
185.13351	0.5
187.14871	0.8
191.14308	1.6
197.09319	0.4
215.18030	2.1
221.08098	1.2
233.18857	2.1
251.20033	2.2
275.20282	0.5
289.25128	0.8
317.24719	8.8
325.23727	14.3
325.27643	0.7
335.25980	0.7
347.25940	0.7
373.27277	0.9
376.41428	0.5
391.28577	4.4
447.78116	0.5
489.28671	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
55.01876	4.5
55.05512	14.0
55.20943	2.2
57.03437	7.3
57.07070	5.2
62.66349	1.9
65.03947	2.4
66.33427	1.7
67.05500	28.4
69.07065	13.0
71.08627	12.6
75.04451	2.1
79.05491	21.1
81.03400	2.2
81.07055	33.3
83.04977	2.5
83.08616	6.1
85.06535	2.5
90.65876	1.9
91.05470	22.6
93.07038	23.4
95.04964	18.5
95.08606	27.1
97.06533	8.2
97.10165	2.9
98.20703	4.5
98.98463	97.5
99.08104	6.4
105.07029	16.8
107.04937	2.6
107.08588	15.1
109.06506	30.4
109.10170	12.1
111.08090	3.6
116.99505	5.3
117.07042	5.6
119.04935	11.3
119.08596	15.1
121.06499	25.7
121.10122	13.9
123.08052	3.8
123.11679	2.8
125.09660	2.6
128.06241	1.8
131.08575	8.2
133.10121	10.7
134.79561	1.9
135.08064	6.5
135.11717	7.7
135.58102	1.9
141.02185	1.8
143.08571	2.6
145.10114	10.2
147.04405	45.6
147.08133	2.5
147.11708	7.7
149.09589	3.5
149.13235	4.3
151.11174	3.8
152.70059	2.0
157.10109	3.4
159.11679	5.6
161.13266	3.2
163.11206	12.7
165.05441	5.8
165.12743	64.9
171.11722	4.4
173.02135	18.6
173.13303	4.3
179.10564	2.5
179.14459	2.3
182.89801	1.9
191.14302	15.4
219.17477	4.5
233.19069	4.1
261.18439	4.8
275.20181	5.4
289.25275	7.0
293.61905	2.0
299.23651	3.1
317.24728	100.0
318.25107	4.0
325.23810	7.2
335.25705	9.7
347.25958	11.7
355.26279	3.4
361.27222	2.8
373.27338	14.2
391.28433	47.4
392.29016	2.7
489.27106	4.2
489.35321	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	489.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.4
69.36034	17.4
70.06592	2.7
76.05130	2.9
79.05481	2.0
83.59876	1.6
84.04504	2.0
85.02905	3.4
86.09702	3.0
91.05468	2.1
94.71778	1.8
95.46317	1.6
97.02857	3.0
98.20707	3.7
107.04931	4.6
107.08576	1.6
121.06551	2.1
125.69480	1.8
127.03893	2.3
131.04944	2.2
135.11655	2.0
137.05978	6.0
139.03951	4.2
153.01834	4.8
161.05933	2.5
177.09837	3.4
289.08649	1.8
303.05008	9.2
313.16211	100.0
314.16449	2.8
328.00119	2.3
339.70343	1.9
489.19559	59.8
490.20206	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.2
55.05512	16.2
57.03440	16.5
57.07082	3.7
65.03927	3.0
67.05504	85.1
67.09335	2.5
69.07070	18.1
70.09789	10.2
71.04999	3.0
77.31439	2.7
77.93994	2.4
79.05492	49.6
81.07056	81.8
83.08617	9.3
86.60396	2.5
91.05485	30.5
93.07042	64.7
95.04978	7.1
95.08605	54.3
97.06543	5.6
97.10149	6.6
98.98464	87.2
105.07028	27.0
107.08590	44.8
109.10157	35.3
111.08043	2.5
116.99533	3.6
117.07009	11.3
119.08572	25.1
121.10150	31.7
123.11717	14.5
131.08554	19.4
133.10132	19.4
135.11697	21.1
137.00021	6.5
145.10123	17.5
147.11697	12.3
149.09628	3.9
149.13264	15.4
155.01033	69.3
155.02206	4.9
157.10107	4.1
159.11700	12.4
161.13269	12.1
163.14853	8.5
173.13248	14.6
175.14810	5.3
187.14906	6.1
211.03728	4.9
229.04721	8.3
231.86845	3.3
243.21072	25.3
259.77802	2.6
261.22116	54.1
275.43216	2.4
299.23630	3.3
317.24789	20.1
335.25800	100.0
336.26184	5.3
397.30930	4.6
409.59363	2.9
415.22339	5.6
436.93124	3.2
471.24802	13.3
489.28748	4.2
489.35593	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	489.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54573	2.4
51.99829	2.1
53.03939	2.6
55.05519	4.7
61.99146	2.3
65.03935	4.7
65.70657	2.1
67.05505	7.4
69.03419	8.5
69.07050	5.0
70.06571	2.8
71.05009	3.4
71.59550	4.3
77.85737	2.7
79.05495	12.6
81.03393	3.3
81.07040	10.0
83.04978	3.4
83.08589	3.3
85.02893	8.7
85.06551	2.7
91.05479	16.3
93.07042	7.3
95.04956	7.2
95.08592	7.8
97.02876	3.4
97.06531	4.2
105.07027	7.3
106.04161	2.6
107.04974	18.3
107.08593	7.9
109.06493	3.3
109.10158	7.8
111.57845	2.8
115.03979	4.9
115.05466	7.9
116.98618	2.6
117.06990	6.2
119.04861	3.3
119.08560	7.1
120.05785	3.2
121.06490	4.1
121.10117	3.9
123.04419	9.0
124.05193	7.8
125.05994	3.5
128.06213	3.2
129.07056	3.2
131.04936	4.6
131.08531	4.5
133.05009	4.2
135.04440	3.3
135.11725	2.8
137.05983	11.7
139.03902	4.2
139.07574	3.5
141.07027	2.6
144.05650	5.1
145.06488	9.0
147.04404	7.4
147.08017	5.5
147.11702	3.1
148.05171	4.8
151.03856	3.7
151.07527	11.0
152.04713	2.8
153.05421	7.4
159.08040	5.2
161.06020	4.2
163.03868	3.9
163.07603	3.4
165.05498	9.0
165.06847	2.9
165.09129	2.7
166.06267	8.7
167.05630	6.0
167.07031	100.0
171.06474	3.2
173.05975	11.9
175.07550	6.4
177.05298	2.7
179.07027	3.6
181.04988	33.2
181.08572	4.0
185.06013	3.0
187.07581	6.4
189.09183	3.9
191.07047	6.1
195.06471	3.1
198.06728	3.7
201.05486	3.1
202.06033	2.5
203.06979	3.3
205.04939	3.4
205.08565	10.3
207.06494	4.2
209.08083	9.2
210.06677	4.0
215.07002	4.7
217.08551	13.9
219.08047	5.7
220.07257	6.7
222.79906	2.8
224.08450	3.4
226.06314	3.2
234.06706	4.6
235.07561	3.1
239.06950	3.0
239.09268	3.9
241.08694	16.3
247.09673	5.4
251.06844	3.0
251.10710	2.7
253.08748	4.0
255.08498	12.0
261.08954	3.4
263.07211	5.1
263.10468	3.2
264.07751	3.9
265.33875	2.9
269.08096	11.0
270.08881	2.8
276.07785	3.5
277.08640	5.4
279.09985	3.7
281.08084	5.5
282.08878	4.1
283.09637	3.0
285.07513	3.0
286.08438	6.2
289.08685	4.9
291.10010	4.6
295.09436	2.7
299.09067	6.3
300.09909	3.3
301.10526	4.4
303.09772	3.6
305.10336	6.4
307.09598	6.2
309.07703	3.1
309.11264	2.9
311.09210	3.1
314.11523	3.6
315.08664	5.8
319.09726	4.6
321.11270	6.4
323.09131	4.4
327.08426	2.9
329.10278	26.6
335.11658	3.2
337.10544	6.5
339.12357	5.1
342.10754	4.5
343.11832	3.8
349.10840	4.2
350.11407	4.7
351.12335	6.1
355.12006	3.0
367.11780	7.3
369.13217	6.5
379.12097	2.8
381.13345	9.1
382.14108	10.5
383.14844	3.5
385.12863	4.2
387.10370	3.5
399.14523	4.0
413.15869	3.4
416.14484	7.1
418.12637	22.6
419.13159	2.9
425.15723	8.5
431.13272	9.2
439.13922	4.8
443.16919	4.6
459.16479	11.9
471.16580	19.9
489.17468	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1544
Annotation	Achyrodimer A
Peak:m/z	Relative Intensity
50.51652	1.8
53.03943	1.9
55.01862	2.4
55.05507	3.6
56.54125	1.7
56.96555	3.1
57.03448	2.1
61.02944	2.4
61.13550	1.7
61.37555	1.7
65.03928	2.3
65.19940	2.1
67.05503	13.1
68.99777	3.0
69.03434	2.3
69.07059	6.1
70.58120	3.9
79.05491	27.1
81.03416	5.7
81.07069	16.5
83.05007	4.0
83.08594	3.0
85.02915	2.8
91.05472	15.6
93.07047	13.0
94.04176	1.9
95.04999	10.1
95.08637	11.4
97.06524	5.0
105.07042	8.3
107.04974	23.4
107.08598	8.8
109.02884	2.3
109.06554	2.6
109.10209	3.0
111.04453	1.9
117.07014	3.9
119.04934	3.8
119.08578	5.3
121.06506	3.4
121.10120	4.5
123.11717	2.0
124.05219	13.8
125.05986	3.1
129.07039	3.5
131.08563	3.5
133.02835	1.9
133.10112	3.6
135.11703	9.2
137.06059	2.1
137.09636	2.5
138.03198	3.8
139.03969	2.6
139.07550	20.0
143.08618	2.1
145.10126	5.7
147.04416	6.8
147.11713	3.3
152.04663	9.5
153.01714	2.2
153.05493	8.0
161.06017	2.7
162.03136	4.0
163.03970	2.5
163.11198	6.2
165.07043	4.2
167.07037	41.3
167.08435	3.3
171.11720	3.6
177.05511	9.2
179.07150	3.0
179.08569	3.2
181.05054	3.0
181.12134	2.5
189.06999	2.3
191.08627	2.9
197.06070	4.4
205.06573	4.2
207.13864	2.3
209.11694	2.3
218.07336	3.2
219.08144	6.6
221.06024	5.9
227.12785	13.2
233.06104	2.1
234.06802	5.4
235.07570	6.9
236.08293	2.4
245.06123	2.5
246.06717	3.8
247.07603	7.9
249.05472	5.0
250.06328	3.7
251.07146	3.3
261.09259	2.9
262.06415	2.0
263.07022	4.7
264.07751	2.9
265.08661	2.1
266.05780	7.5
271.07770	2.3
274.06204	6.3
275.07059	10.7
275.17731	2.0
277.04974	3.8
281.08212	4.6
287.07062	2.7
290.32169	2.0
291.06528	8.8
292.07291	5.1
293.08105	2.8
294.05310	7.5
295.06171	2.0
301.08374	2.3
303.06503	18.6
304.07135	5.0
305.04459	2.5
307.06216	3.4
307.09650	4.4
309.07620	14.7
317.08118	4.1
319.06061	9.0
319.09515	3.6
320.06796	15.7
321.07611	6.0
327.10095	2.6
329.08051	2.8
334.08353	2.8
335.09225	21.4
337.10617	3.5
343.09576	3.6
349.10797	4.4
350.11505	10.1
359.09198	2.6
367.09576	2.1
371.09174	4.5
381.07629	3.2
383.09146	4.7
399.08459	5.1
409.07153	2.6
414.10468	2.5
425.10376	4.3
426.06912	2.4
427.07990	2.4
428.08981	3.1
429.13254	4.1
431.11569	3.2
441.09729	3.5
442.10471	4.7
444.08221	3.1
446.13571	2.5
457.12933	22.8
458.13876	3.3
459.10767	7.8
461.15503	9.8
473.12134	2.6
474.13187	19.1
489.15488	100.0
489.27118	3.4
490.15939	5.1
506.42084	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40800	0.8
53.03929	0.9
67.42916	1.0
68.99789	1.0
69.03417	1.3
70.04651	3.4
70.05069	1.7
72.13228	0.9
73.26077	0.9
74.34442	0.8
78.38291	0.7
79.05495	1.3
81.03411	4.0
81.07037	1.2
85.02895	2.6
91.05482	1.0
95.01155	0.8
103.05473	9.1
107.04940	2.3
109.02859	1.8
117.03365	1.0
127.03896	3.4
131.04922	27.5
137.02335	45.5
139.01201	0.8
139.50188	0.9
153.19910	0.8
155.03406	4.9
155.08578	1.0
163.03896	2.8
167.08588	1.1
171.08014	1.1
195.07983	5.5
198.06995	1.0
199.07559	1.3
209.74721	0.8
223.07489	4.1
226.06178	5.0
241.08585	100.0
242.08980	1.9
316.62558	1.0
341.88486	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.8
66.34860	3.0
67.35357	3.1
68.26446	3.4
69.03418	5.4
69.07066	5.1
70.06586	15.9
70.08372	12.7
70.08788	5.5
73.36887	3.3
81.03429	5.3
81.07063	6.0
84.04514	4.2
85.02882	6.2
85.40108	3.6
86.09708	7.4
87.04478	3.8
91.05468	7.2
93.07034	6.2
94.06561	4.7
95.04967	4.1
97.02886	4.9
105.07040	5.3
107.08611	5.6
123.04480	3.8
137.05981	61.5
140.50471	4.0
146.06001	6.2
147.04387	5.5
151.03923	6.5
161.05977	6.0
167.07048	5.2
192.07765	4.0
201.05473	57.8
205.06529	9.5
205.08418	4.4
206.07266	8.9
223.09607	6.5
223.72638	3.8
231.06482	5.0
233.05969	7.6
234.06801	16.5
235.07593	5.9
245.06116	4.0
249.09117	5.6
250.06117	5.4
259.07593	3.6
262.06384	21.2
263.06924	6.4
265.08484	5.9
271.06308	4.2
272.09265	6.9
273.05496	6.8
274.10779	4.1
277.08563	14.3
279.06583	4.8
290.05762	25.5
292.07211	4.7
293.08194	7.2
295.09662	3.9
297.11435	3.8
305.08081	55.9
307.09595	6.5
309.11115	3.5
313.16193	13.5
319.09494	5.7
325.10733	32.1
337.10684	100.0
338.11075	4.8
355.11755	7.6
372.54471	3.6
420.81900	4.4
488.21225	22.2
489.19073	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	488.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48032	0.6
53.03945	1.7
55.01861	2.1
57.03432	1.3
57.07071	6.0
64.64677	0.6
65.03944	1.2
69.03432	5.0
71.58406	0.8
72.90966	0.7
73.02902	1.5
81.03415	4.2
81.07039	2.1
82.07423	0.9
85.02909	14.1
87.00823	5.4
91.05502	1.4
93.07034	1.3
95.04966	0.8
95.08586	1.2
97.02896	9.2
97.06517	0.7
99.04464	2.6
105.01872	8.8
105.07036	1.8
109.02892	4.0
111.04424	0.8
119.08601	1.1
121.02850	3.1
121.06541	0.8
127.03911	10.6
132.05695	0.9
137.05949	1.0
139.03854	1.5
145.04965	6.3
149.02348	100.0
149.96564	0.7
150.02753	1.2
159.02898	2.6
167.03400	10.2
167.06966	1.4
181.05031	1.3
190.04985	1.3
205.08669	1.8
212.23653	0.8
223.09647	16.2
231.05031	2.3
250.09686	0.8
434.43250	0.8
514.68286	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	12.7
55.01870	4.9
55.05270	2.3
55.05512	25.7
57.03428	5.4
57.07075	2.7
58.48685	1.6
59.04985	1.9
63.73906	1.8
65.03938	4.8
67.05504	80.5
69.03437	2.2
69.07071	15.0
71.04982	4.6
73.06562	2.4
77.03952	2.5
79.05492	100.0
80.05838	2.1
81.03420	13.3
81.07056	62.3
83.04980	16.3
83.08596	11.1
85.02901	2.8
85.06541	3.5
91.05479	81.4
93.07042	81.6
95.04974	40.4
95.08607	35.1
97.06535	6.0
97.10162	5.4
99.08132	1.8
105.04545	3.5
105.07030	57.4
107.04945	7.7
107.08588	26.8
109.06517	8.1
109.10171	6.7
111.08112	1.7
112.62042	1.6
114.56734	1.7
114.88284	1.8
115.05444	2.0
117.06998	12.5
119.07790	3.3
119.08584	35.2
121.06553	3.6
121.10162	6.2
123.08062	7.7
123.11719	2.1
127.07539	1.6
127.71426	2.1
127.80104	1.7
128.06238	7.1
129.07005	25.4
131.08569	7.2
133.10147	12.5
135.08087	2.7
135.11713	2.8
137.09682	1.8
141.09132	2.2
143.08591	11.8
145.10132	19.2
147.08109	3.6
147.10513	2.1
147.11696	43.0
153.40298	1.8
156.09314	2.2
159.11691	3.5
161.09558	8.5
161.13240	23.5
163.11217	2.3
171.11682	45.2
179.14270	5.5
189.12744	17.9
207.13818	35.2
225.14856	10.4
236.15047	2.7
247.98169	1.9
265.04160	1.8
281.17410	3.4
385.29977	1.9
487.30182	37.1
488.30569	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	11.1
55.01862	3.2
55.05511	26.0
57.03432	4.1
59.04983	1.7
61.02911	1.6
63.27666	1.6
65.03945	4.0
67.05505	68.8
69.07077	11.9
69.93898	10.5
71.04988	2.9
73.06582	1.9
77.34766	1.6
79.05494	100.0
81.03425	11.1
81.07059	59.0
81.91534	1.7
83.04979	17.6
83.08615	8.0
83.11189	1.9
85.06531	4.6
91.05482	75.3
93.06475	3.4
93.07045	65.8
95.04969	33.3
95.08607	36.1
97.06510	8.6
97.10180	4.0
103.05405	2.5
105.04491	3.8
105.07032	50.7
107.04948	6.5
107.08596	21.6
109.06549	8.6
109.10149	5.1
115.05437	3.3
117.06996	12.6
119.08582	34.6
121.06491	5.0
121.10151	5.9
123.08018	9.7
128.06219	5.4
129.06995	24.4
131.08536	4.6
133.10121	12.2
135.11700	2.0
143.08565	10.6
145.10095	13.0
147.08096	3.8
147.10510	2.5
147.11684	45.6
161.09637	4.7
161.13283	20.5
171.11711	33.8
177.12689	1.9
179.14293	3.6
189.12706	14.8
207.13791	37.8
225.14810	6.0
281.17593	2.8
379.13336	1.8
469.23459	1.8
486.62885	1.8
487.30551	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	487.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88276	1.6
53.90491	1.7
55.05500	3.9
56.96558	3.1
57.03424	2.6
57.07065	8.3
63.68880	1.8
66.17004	1.7
66.95851	1.8
67.05492	5.4
69.03426	4.3
69.07055	5.5
71.58583	2.7
75.36430	2.0
75.71870	1.8
79.05488	5.1
81.03404	5.1
81.07076	8.7
81.07471	1.8
83.04935	2.5
85.02887	9.7
85.06544	11.7
91.05482	8.5
93.07050	6.3
95.04945	4.2
95.08593	6.8
97.02889	3.4
97.06512	11.5
97.85519	1.8
105.07040	4.5
107.08601	8.2
109.10110	4.1
119.04933	1.8
119.08609	5.3
121.10133	5.5
131.08553	2.2
131.62006	1.9
133.10146	3.5
135.08034	2.4
135.11674	2.6
137.05928	1.9
147.04312	3.2
147.11693	2.2
155.08540	2.1
159.11655	3.0
175.11171	2.2
189.16409	2.9
201.09158	3.0
237.27361	1.8
239.16315	2.1
267.08954	2.4
285.10010	3.1
297.14911	2.4
302.11557	1.8
323.16394	3.6
355.17212	4.5
399.16254	4.1
401.21365	6.2
443.22522	21.9
452.51630	2.0
487.21436	100.0
488.21722	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	487.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72781	1.0
53.03951	1.0
56.05040	11.0
69.03438	2.0
70.06591	2.7
70.67345	1.9
81.03414	4.6
82.06579	2.0
84.04491	4.4
85.02900	2.0
86.06071	1.7
87.09232	2.2
91.05477	1.4
94.06594	1.0
95.05007	1.1
96.04490	2.8
96.47138	0.9
97.02885	5.0
97.07633	1.0
98.06063	7.4
99.09250	1.0
102.05572	2.1
103.31134	1.0
105.07049	2.0
108.08130	6.9
109.06522	1.5
110.06035	8.2
111.84859	1.0
112.70361	1.1
113.07171	2.2
115.08694	84.5
119.04939	1.0
121.53778	0.9
122.06054	1.4
122.09605	1.1
124.03996	3.3
124.07569	2.0
125.07121	1.7
127.08694	1.4
128.07065	7.5
133.06465	1.7
133.09740	8.7
134.06058	4.1
134.99710	1.2
136.07579	29.8
138.05508	2.0
139.08694	1.3
143.08183	1.6
144.06557	6.4
150.09138	7.7
151.07521	2.2
152.07129	1.9
154.08630	47.0
157.09734	2.5
159.07660	2.3
161.06035	1.8
163.03915	1.3
170.11725	1.0
171.07654	5.2
178.08636	8.9
179.07019	1.6
180.06554	1.3
182.12924	2.3
183.11340	4.0
193.09787	6.0
196.09703	21.0
198.07611	6.0
210.12482	1.7
211.10794	2.6
212.09207	1.2
213.12479	1.2
214.10785	2.6
215.10284	2.0
225.08713	3.0
229.11809	5.4
243.09750	2.0
251.13971	2.7
256.12927	4.3
257.11307	1.2
269.14929	1.4
274.13989	19.9
275.14240	1.0
292.16620	2.1
293.15036	1.9
297.14453	2.3
310.17624	11.4
315.15472	1.8
328.18671	20.2
346.19748	19.6
384.38208	1.2
424.21014	4.9
441.23779	1.2
442.21661	6.5
451.21851	2.3
459.24670	3.1
469.23001	15.6
470.23486	1.3
487.24026	100.0
488.24359	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	10.9
56.96571	8.8
57.07067	29.9
59.78263	8.5
67.05510	25.3
69.07064	82.4
71.08624	32.2
71.59280	12.2
78.73154	8.7
80.41338	7.7
81.07059	40.5
84.97223	8.7
85.10183	12.7
86.09698	22.7
91.05479	10.0
93.07070	11.9
95.08612	29.3
97.06547	11.9
108.04483	10.2
119.08611	10.2
123.04469	11.4
135.45729	8.6
138.01845	19.0
150.05490	12.4
178.06306	9.2
178.08640	16.0
194.11040	9.0
198.11238	9.7
203.54149	8.3
206.11797	37.9
252.12387	43.4
264.16031	27.6
266.81403	9.4
270.13382	38.7
287.83890	8.3
294.17038	15.5
316.13913	26.4
324.10797	10.3
332.22174	90.6
360.78131	9.4
378.22540	86.5
406.25952	59.0
424.26740	14.1
440.26373	23.9
468.25854	83.0
486.26941	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.5
56.96569	19.0
66.21697	2.4
67.21732	2.2
69.03419	6.3
70.11600	7.3
70.12012	4.9
80.76530	2.1
85.02888	5.7
97.02884	6.5
98.96946	3.2
98.97581	38.2
100.07598	2.8
100.99165	3.4
109.02823	2.6
110.97558	3.7
112.99126	31.7
116.98615	27.4
119.00198	4.0
119.01906	7.2
128.98598	9.8
131.00169	69.9
131.01775	4.3
133.03426	8.5
134.99634	9.2
143.00125	3.0
143.01875	3.2
145.01730	3.5
145.03442	6.5
146.99646	5.9
147.05115	2.5
149.00081	1.6
149.01207	49.1
151.04547	3.5
153.01794	4.9
155.01849	4.5
157.03470	6.4
158.99649	11.1
159.05046	3.4
161.01233	6.4
161.02904	6.2
163.02693	5.7
163.03912	6.8
164.04207	2.4
167.02312	5.8
172.99838	4.0
173.01239	38.0
173.02936	6.6
175.02892	3.4
175.04509	3.7
177.00688	12.3
181.03625	3.6
185.02969	4.3
187.02863	3.1
187.04498	4.2
189.00655	5.5
191.02267	49.2
191.03992	2.7
193.03835	12.6
195.07089	2.3
199.02754	2.2
203.03952	4.6
205.03751	6.3
209.03267	3.8
211.00998	4.0
211.04813	12.2
211.34929	2.0
217.03687	2.1
219.01761	24.8
219.07115	5.1
221.03143	3.4
221.05046	5.3
229.01895	2.4
231.07069	5.3
233.03337	14.4
235.04736	4.6
235.06815	3.7
237.02815	59.4
245.05066	8.0
247.02904	4.6
247.06709	4.3
251.04375	3.2
255.03773	5.4
255.06990	2.4
263.04309	5.7
269.05246	3.5
271.03015	3.3
271.06570	3.3
273.08209	2.9
275.04300	6.9
277.07785	2.7
281.05402	17.2
287.06128	2.6
291.09198	4.3
293.05429	12.2
295.06866	3.1
303.05374	2.5
311.06366	7.3
321.10275	31.8
325.07919	3.0
337.04141	3.6
337.07846	100.0
355.04987	11.5
355.09055	96.3
373.06018	13.3
378.10828	6.9
427.11133	3.2
463.51999	2.4
469.12631	12.3
501.95865	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	486.2695
Annotation	Mesaconine
Peak:m/z	Relative Intensity
55.05497	35.3
56.75948	11.0
67.05492	49.2
69.03427	15.4
69.07059	43.8
71.08923	11.5
71.59016	18.9
76.28311	11.6
79.05474	17.9
79.78487	10.6
81.07042	77.6
88.03956	14.2
91.05470	34.6
93.07038	43.0
95.08597	39.9
97.10157	23.5
99.87922	11.4
105.07027	64.7
107.08598	49.6
109.10174	58.8
119.01878	19.9
119.08562	56.5
121.06515	16.3
121.10136	37.3
123.11716	32.6
131.08540	29.1
133.10144	63.0
134.04485	43.1
135.08012	13.7
135.11717	13.1
139.11143	16.3
145.10152	27.0
147.08075	14.4
147.11688	21.1
149.09598	40.7
151.11121	15.8
159.11665	27.7
161.09621	45.2
165.09076	17.8
173.09618	23.8
173.13208	27.7
175.11205	38.9
177.09061	78.2
179.10677	13.2
187.11249	11.9
191.10588	22.9
201.12764	27.6
203.14377	16.2
243.21066	29.6
271.20615	29.2
281.19089	14.2
283.03748	11.2
289.21597	100.0
299.20041	40.7
307.22723	27.9
317.21225	38.1
486.23795	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	485.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	12.1
67.05499	19.2
69.07066	18.1
70.04691	18.1
70.05092	54.7
74.33939	10.3
79.05473	36.2
81.07044	100.0
87.21942	10.8
87.64112	10.3
91.05469	37.4
93.07034	44.0
95.08578	33.9
105.07021	30.3
107.08578	39.2
109.06506	50.7
117.07013	20.0
119.08601	59.1
121.10119	19.0
131.08546	40.9
131.09477	11.9
133.10100	46.0
135.08064	23.3
137.09570	12.7
143.08551	20.5
145.10066	33.1
147.11691	32.4
149.09569	27.5
157.10115	34.3
158.49521	10.4
159.11714	17.5
160.74532	11.7
161.09598	28.6
161.13251	14.1
171.11743	21.6
173.13313	21.2
173.50632	12.2
175.11220	14.7
183.11656	20.9
185.13196	15.7
185.80804	10.3
187.14880	17.2
193.12273	13.1
203.14307	14.4
204.17802	12.2
209.13269	16.5
233.15273	20.7
245.15364	14.1
353.21204	14.0
377.24704	16.7
395.25784	45.7
413.26904	98.9
467.31525	17.0
485.32617	17.4
485.47443	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	486.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	6.0
57.07074	30.7
67.05490	22.0
69.07072	25.7
71.08643	47.8
71.20298	10.6
76.26569	4.2
78.73033	4.3
79.05472	7.9
81.07060	33.5
83.08614	6.3
83.55679	4.1
85.10177	22.3
86.09692	6.2
91.05435	5.6
93.07049	9.8
94.02902	5.9
94.06564	7.8
95.04930	6.8
95.08611	44.2
96.04484	8.3
97.06494	5.1
108.04494	8.0
109.02966	3.8
110.02428	4.8
110.06013	6.8
113.06006	4.5
122.02372	10.1
122.06007	22.5
123.04417	14.8
136.03909	9.9
136.07585	10.4
138.05486	6.7
148.03903	7.0
150.05525	28.9
155.14284	14.6
160.10088	4.5
164.03467	4.4
164.07034	10.8
172.95236	6.9
178.08611	21.0
178.12245	8.8
206.11748	100.0
220.16951	4.7
224.09221	6.9
224.12781	11.7
234.11237	7.1
248.16460	6.5
250.10713	6.0
252.12306	54.1
264.15851	6.5
268.11832	21.6
276.19635	6.6
278.24835	5.7
282.16852	6.1
290.17468	13.1
294.17026	16.1
304.22742	9.5
304.26047	5.6
306.24304	6.1
314.12329	9.0
332.22220	44.4
350.23227	18.7
352.24872	6.3
360.25354	14.3
378.22675	92.4
379.22772	5.7
388.24686	38.7
396.23773	14.2
404.24384	11.6
406.25525	24.2
422.25165	6.1
450.24945	71.2
500.22565	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	485.238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54225	1.7
56.61570	1.9
66.66396	1.6
67.05494	3.3
69.03409	2.9
69.07069	2.0
69.94968	10.4
71.04987	6.3
73.71621	1.6
79.05479	2.1
81.07043	3.0
85.02891	10.8
91.05464	3.9
93.07052	2.3
93.62984	1.5
94.15028	1.9
95.08619	3.7
97.02888	1.8
97.06528	4.0
98.20831	2.9
99.04434	2.1
105.01847	2.6
105.07020	4.0
107.08587	5.8
109.10168	4.3
111.08076	18.3
117.03400	1.8
119.08569	3.5
121.10148	5.2
127.03948	2.6
131.78296	1.6
135.08049	4.0
135.11708	4.4
137.05981	2.2
145.02832	3.2
145.10158	2.2
147.11723	2.8
148.39363	1.7
151.04053	2.3
161.09668	2.1
163.11212	8.3
165.12813	1.7
177.05435	11.2
189.12761	8.8
204.15143	9.5
209.50734	1.7
219.17436	100.0
295.51718	2.1
440.71747	1.9
444.72156	2.2
448.14886	1.9
454.01221	1.7
485.29782	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	485.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.7
56.05039	11.9
58.06598	5.4
60.25624	1.1
67.05493	2.0
69.03420	4.6
70.06558	1.4
71.57869	1.7
74.06059	2.0
79.05465	1.4
81.03434	1.8
82.06584	5.9
84.04499	7.9
85.02905	2.0
87.09223	2.0
91.05472	2.5
93.07068	1.5
97.02878	1.8
98.06052	2.0
100.07620	8.7
102.05531	3.7
107.04957	1.2
107.08601	1.8
109.10164	1.7
110.06046	38.5
112.07612	3.0
113.07107	5.3
115.08690	94.2
117.07032	1.5
119.08539	1.8
121.06525	3.2
124.07549	2.5
125.02269	1.2
126.09074	1.1
128.07069	4.9
131.04935	1.4
133.09743	10.2
135.08034	4.5
136.07614	5.8
138.05496	61.3
138.09135	2.9
139.03914	1.9
144.06633	2.2
146.06090	1.1
147.04437	1.6
152.10713	18.2
153.01816	13.5
153.09154	1.3
159.07680	5.6
162.09204	2.5
163.07520	4.6
169.09709	5.9
171.02939	1.9
180.10201	31.6
190.08705	1.1
192.10246	1.2
198.11275	6.5
205.04697	1.4
211.14505	1.6
229.86592	1.2
239.10245	2.7
253.15582	1.5
257.11459	1.4
270.14435	7.4
276.17184	2.6
281.14944	2.5
288.15506	10.2
292.43600	1.1
294.18134	3.6
299.16101	7.3
312.19174	28.2
318.15500	1.1
330.20218	65.1
331.20206	1.7
338.22476	1.0
381.84500	1.2
449.24057	2.4
467.25082	19.2
485.16351	5.2
485.26047	100.0
486.26501	1.7
511.17273	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66624	1.0
53.03939	1.8
55.05500	3.7
57.03431	1.2
57.07069	1.3
65.03943	1.0
66.86597	1.0
67.05507	8.5
69.03424	18.4
69.07067	6.2
70.06567	1.1
71.04967	1.1
71.58378	2.2
73.02915	1.0
79.05479	2.9
81.03407	3.4
81.07056	10.9
83.04980	1.6
83.08607	2.2
85.02906	10.4
85.06528	5.3
86.09709	2.2
87.00823	3.3
91.05462	5.9
93.07043	28.9
95.04956	2.8
95.08609	9.7
97.02881	4.6
97.06540	2.3
99.04434	1.6
105.01862	5.4
105.07027	5.0
107.04945	1.6
107.08584	17.3
109.02892	2.0
109.05896	1.1
109.06470	4.8
109.10155	29.6
111.08073	11.3
117.06973	1.2
119.08598	6.6
121.06502	4.6
121.10151	15.5
123.04365	1.5
123.08047	7.1
123.11706	6.8
125.09628	2.8
127.03917	9.0
129.06995	1.1
131.08548	2.3
133.10089	4.5
135.08052	13.4
135.11688	32.7
137.05965	2.8
137.09592	9.3
145.04947	3.1
145.10104	5.5
149.09601	1.2
149.13261	3.8
153.01840	1.7
159.11647	6.6
161.09540	2.1
161.13226	7.5
163.11189	13.6
173.13251	1.3
175.14809	2.7
177.05602	1.0
177.12752	1.6
177.16365	7.7
184.07312	1.9
191.17961	2.3
201.16380	9.1
207.32961	1.2
219.17435	100.0
220.17755	2.1
231.04993	4.0
237.18510	2.8
249.06091	1.4
260.81665	1.1
322.66733	1.1
485.15790	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89548	0.9
54.14467	0.8
55.05502	1.9
56.27537	0.7
61.35956	0.7
67.05492	3.3
69.03405	3.8
69.07057	2.8
71.04982	0.7
71.12266	2.4
74.23513	0.7
79.05471	1.9
81.03423	2.5
81.07047	8.7
83.04969	0.8
83.08601	1.7
85.02903	4.7
86.09694	1.6
87.00815	2.5
87.11538	0.9
91.05481	2.5
93.07048	6.9
95.04945	1.2
95.08601	4.8
97.02884	2.7
97.06530	2.0
97.10168	0.9
104.10805	1.7
105.01885	2.6
105.07023	3.5
107.04955	1.9
107.08578	6.5
109.02891	1.8
109.06518	3.5
109.10156	6.2
111.08083	9.9
116.08137	0.9
117.07014	1.1
119.08591	2.5
121.06490	2.7
121.10127	5.1
123.04424	6.7
123.08070	2.7
123.11695	6.8
127.03915	2.9
131.08582	2.0
131.48164	0.7
133.10129	1.3
135.08073	5.1
135.11676	12.5
137.05960	9.0
137.09561	1.3
139.03909	0.9
143.08475	1.0
145.04942	1.3
145.10114	3.0
147.11664	1.8
149.09604	3.5
159.11696	2.5
161.05997	1.1
161.09575	1.3
161.13261	1.3
163.07491	1.1
163.11162	11.8
165.54776	1.0
177.05609	1.3
177.12692	2.0
177.16283	1.5
178.56473	0.8
184.07364	1.6
185.05917	0.9
186.74513	0.9
201.09100	0.8
201.16357	2.2
219.17430	100.0
220.17859	1.8
231.04768	1.0
237.18503	5.0
245.08044	1.0
363.12195	1.1
381.13174	2.1
410.13736	1.1
485.17874	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	485.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
53.65323	0.6
55.01866	2.2
57.03428	2.9
61.02927	1.5
68.99775	1.8
69.03431	12.0
71.04977	2.3
71.57524	0.9
73.02908	2.8
77.03893	1.0
81.03418	11.9
85.02902	17.3
87.00827	8.1
91.05480	1.9
95.04983	1.8
97.02895	5.8
99.04449	2.8
100.00987	0.7
102.04668	0.8
103.05463	48.7
104.05840	1.1
105.01875	4.6
105.07047	1.1
109.02883	10.8
115.03959	0.7
116.98614	1.2
117.56822	0.6
123.04433	1.2
127.03907	15.5
129.01874	1.3
130.04126	0.9
131.04924	100.0
132.05246	1.5
133.06395	0.9
139.03894	4.5
145.04968	3.8
145.06415	0.7
147.02861	1.3
148.05177	9.5
153.01842	2.1
159.02893	5.2
161.05959	3.0
163.07541	48.2
164.07921	1.1
165.05484	1.4
175.07539	1.8
187.07559	1.2
189.08870	0.8
201.09155	1.7
219.10083	1.0
231.04936	1.1
237.02885	1.0
237.11130	3.6
300.76291	0.9
425.14392	2.3
470.25638	0.8
485.14359	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	485.1994
Annotation	CHEMBL252967
Peak:m/z	Relative Intensity
51.28962	0.7
53.98602	0.8
67.05457	0.9
69.03426	1.1
69.07055	1.8
71.10750	1.7
79.05475	1.2
81.07043	3.0
83.04948	1.2
85.02899	1.6
89.59233	0.9
91.05443	1.2
93.07030	3.0
95.04935	1.0
95.08604	1.5
105.07041	1.3
107.08527	1.4
109.10115	1.0
119.08567	1.2
121.10165	1.7
133.10110	0.8
135.11685	1.1
142.15091	0.8
147.11696	1.6
158.40370	0.8
159.11630	0.9
161.02995	0.8
185.04166	0.9
236.91591	0.9
285.13043	0.8
317.08441	50.2
417.61325	1.0
419.76190	0.9
485.19876	100.0
486.20337	2.5
492.76300	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.0
57.07074	28.7
65.48991	0.6
69.07071	0.8
69.34466	2.0
69.34884	4.0
70.42309	0.6
71.08633	28.6
73.06555	6.7
74.06078	1.1
74.87989	0.6
79.18382	0.6
80.18114	0.7
83.08628	4.4
85.10184	24.8
87.04461	4.0
89.06033	100.0
91.07616	0.8
93.77081	0.6
97.10187	1.1
99.11725	2.8
107.07085	4.6
109.17428	0.6
117.09138	4.5
130.08659	2.1
131.07065	1.2
133.08604	46.8
135.10196	0.6
141.16385	4.7
151.09654	1.0
172.95279	1.3
177.11218	15.7
185.19014	6.0
186.96863	3.7
190.96350	0.7
195.12311	0.7
204.97845	3.2
218.04323	0.7
221.13849	2.2
226.21733	1.2
229.21632	7.6
239.14943	2.4
273.24213	4.3
283.17593	2.0
317.17941	2.6
327.20166	6.1
335.18954	1.4
379.30469	0.8
423.33163	1.0
467.35690	7.5
471.18240	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46338	0.8
55.05499	2.5
57.07079	15.3
58.06593	1.9
67.05498	2.3
69.07049	2.7
70.06596	12.9
71.02646	1.8
71.03013	1.2
71.08645	7.5
73.02909	1.4
73.37538	0.8
81.07061	2.3
83.06540	0.8
83.08609	2.7
85.10180	3.8
88.07636	17.1
95.08601	3.3
102.09175	12.9
106.08688	1.4
109.10167	1.8
113.26176	1.1
171.06201	0.9
178.67532	1.0
228.23238	46.1
229.23708	1.1
246.24368	3.0
246.85706	0.9
255.23177	3.2
256.26355	2.6
272.62244	0.9
283.26309	46.5
284.26663	1.1
484.47272	100.0
485.47879	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	485.0928
Annotation	1,3-Di-O-galloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
52.88230	3.1
67.15018	3.4
69.03455	3.4
70.06593	6.2
71.57856	5.8
79.01817	5.2
81.03420	8.2
85.02895	6.5
97.02887	7.8
109.02885	6.8
110.06023	6.9
115.08702	15.7
121.45004	3.4
125.02339	5.2
127.03894	10.1
131.04979	5.5
133.09802	3.5
138.05473	8.2
143.03391	8.5
152.07993	3.4
153.00587	5.4
153.01831	100.0
154.02220	7.0
171.02902	8.6
205.04778	6.1
297.05994	4.2
312.19238	8.5
330.20200	7.9
485.16159	22.2
485.25980	16.3
495.63406	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	484.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.4
55.05503	5.6
56.30609	1.5
57.03427	6.2
60.71864	1.6
61.02916	7.6
67.05496	3.2
69.03420	13.7
69.07068	27.8
70.06586	3.2
71.01350	2.8
71.04981	3.1
73.02913	4.5
81.03409	4.9
81.07053	5.6
84.04547	1.5
84.08155	2.0
85.02904	100.0
86.03200	2.2
86.09689	2.7
91.03952	5.1
91.05474	4.1
93.07031	3.4
95.01336	22.4
95.04949	2.5
95.08615	2.2
96.08163	1.6
97.02884	27.3
97.06518	1.8
99.04434	4.2
103.03929	4.7
105.07050	2.6
107.08537	2.5
109.02882	5.7
109.10113	2.1
111.11698	8.4
113.02389	1.9
119.04955	1.7
119.08631	1.7
121.10147	2.1
123.04490	1.8
124.07603	4.3
127.03927	25.9
131.03383	2.0
133.10124	2.5
137.05917	2.2
139.03847	2.8
141.00728	3.7
141.01825	67.3
145.04961	53.7
147.04422	2.3
148.07593	3.2
159.02887	10.9
163.03923	1.8
163.06027	21.2
168.06606	1.6
175.07590	1.8
177.03911	3.8
207.11467	1.8
220.24892	1.8
271.14471	2.2
440.22098	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00284	0.9
53.03942	1.1
55.01864	2.2
55.05505	3.1
57.03428	2.7
60.08139	1.0
61.02913	3.5
65.03942	1.9
67.05481	2.1
68.99789	1.8
69.03420	6.8
69.07071	12.0
69.63577	5.8
70.06587	1.4
71.04973	1.2
73.02910	3.4
79.05474	2.4
81.03411	1.7
81.07062	3.9
83.04961	1.2
84.04493	1.0
85.02905	46.4
86.09711	3.0
87.04476	1.1
89.03929	1.8
91.03958	2.5
91.05459	2.7
93.03386	1.3
93.07037	2.7
95.01334	11.0
95.04949	2.3
95.08591	1.9
97.02885	14.6
97.06572	1.2
99.00803	1.0
99.04436	2.1
103.03958	2.6
104.10721	1.4
104.80492	0.8
105.07032	1.9
107.08599	2.6
109.02882	3.0
109.10152	1.4
111.04430	5.9
111.11678	4.9
112.04738	1.0
113.02354	2.1
117.03384	4.7
118.03712	1.7
119.08601	1.3
121.06486	1.4
121.10131	1.6
123.04447	4.0
123.11723	1.6
124.07606	1.4
125.00014	1.9
127.03925	12.9
131.03387	1.6
133.10152	1.3
135.04391	1.2
135.11673	1.5
137.05972	1.9
139.03897	100.0
139.10995	0.9
140.03143	1.9
140.04233	39.3
141.01820	32.3
141.04355	2.1
145.02902	6.7
145.04951	27.4
145.10094	1.5
146.03207	5.3
147.04417	1.8
147.11679	1.0
148.07550	3.4
149.06015	1.1
150.06303	1.1
151.03918	2.7
157.10077	1.0
159.02902	6.9
163.03909	2.7
163.06023	8.7
163.11235	0.9
165.01947	0.8
174.13501	1.0
177.03955	1.7
177.05435	11.7
178.05821	7.5
184.07307	4.7
189.09027	1.2
194.08122	1.9
197.06654	0.8
205.04840	1.1
206.05180	1.2
227.08141	0.8
255.11305	1.8
258.04922	1.0
269.12793	0.8
271.14542	1.1
290.07385	1.9
297.12543	1.2
311.33008	0.8
313.11792	1.2
315.13358	19.4
341.11496	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	7.3
57.03432	6.6
59.16196	2.3
61.02919	10.1
62.69487	2.3
67.05511	3.0
67.19510	2.4
69.03423	15.3
69.07068	27.6
70.06601	3.0
70.70181	6.2
73.02905	6.7
81.03424	6.8
81.07059	2.7
83.08630	2.2
85.02907	100.0
87.04446	2.0
91.03941	4.6
91.05455	2.4
94.37923	2.3
95.01320	23.0
95.04912	2.3
97.02884	31.9
99.04454	3.3
103.03962	3.7
105.07019	4.2
106.77312	2.3
109.02852	4.7
111.11726	10.7
113.02367	4.9
117.60744	2.3
119.08537	2.3
124.07574	6.6
127.03915	25.6
128.82854	2.4
141.01814	61.6
145.04976	48.2
148.07529	4.6
159.02890	12.5
163.06035	20.3
175.99040	2.3
177.03979	3.5
182.05032	2.7
289.14798	2.5
321.07907	2.7
432.83008	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	36.0
55.33906	12.9
69.07055	36.2
69.79372	83.7
81.07054	13.5
83.08630	30.0
97.10170	15.2
129.74487	12.3
155.00967	17.9
206.81090	12.4
217.70613	11.5
295.62552	14.5
311.25851	100.0
458.80231	14.7
483.35281	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	484.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.4
54.92078	0.4
56.96564	0.7
58.70387	0.4
59.52049	0.3
61.28552	0.3
67.05591	0.3
71.16523	0.7
71.16847	0.5
74.44580	0.4
79.43797	0.3
90.57694	0.4
91.05474	3.2
92.18209	0.3
93.07040	5.6
95.04968	1.7
98.97587	0.9
103.05478	3.4
105.04488	0.4
107.05002	0.3
109.01230	0.3
116.98610	0.6
121.06503	100.0
122.06850	1.0
138.09138	28.5
177.05513	0.5
219.01883	0.4
236.02629	0.4
237.02840	0.6
303.73520	0.4
327.58591	0.4
389.04395	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.221
Annotation	Unknow
Peak:m/z	Relative Intensity
63.45251	0.9
71.58684	1.8
81.03424	1.3
81.07056	1.5
97.02917	1.2
105.07037	1.2
107.08596	1.4
116.98653	0.9
119.01912	2.2
119.08637	1.2
120.08081	1.2
128.42259	1.0
131.01930	1.3
133.10210	1.1
161.02992	1.5
161.09610	1.1
227.05267	1.1
235.16843	1.8
242.56607	1.0
269.16104	1.2
271.04257	3.4
277.16629	1.8
280.15231	1.5
295.17505	6.4
307.17575	1.6
313.18674	3.3
321.07376	4.1
337.18716	4.3
338.61450	1.0
397.20749	11.2
439.22824	29.8
440.22006	1.3
451.83698	1.3
483.22040	100.0
484.22253	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05480	2.7
69.03416	6.0
69.91959	12.8
81.03415	4.8
82.06590	2.2
85.02904	14.9
94.06577	3.2
95.07357	2.3
96.08127	4.5
97.02899	4.3
98.06075	2.7
98.20784	2.9
108.08079	3.6
110.06027	2.1
110.09661	3.5
120.08069	5.2
122.06052	3.0
138.05554	5.4
138.09131	29.1
139.03957	5.2
153.01825	10.2
156.06555	20.0
163.26317	2.4
166.08652	39.8
171.81348	2.1
177.05386	3.0
188.07101	4.3
188.10724	3.3
195.08989	2.1
196.09970	5.2
197.10686	3.7
206.08299	12.6
211.12338	5.1
216.10019	2.3
221.10776	3.1
223.08682	3.7
224.09451	4.0
226.11119	2.5
230.11729	2.5
234.11348	3.0
239.11833	14.8
241.09760	4.4
244.09703	3.8
256.21979	2.5
257.12811	3.7
258.11285	4.6
262.10733	10.2
267.11328	28.2
271.10831	2.9
272.11511	11.7
276.12274	8.6
285.12308	30.8
290.12704	3.4
303.13416	27.7
304.11829	8.9
321.14435	100.0
322.14532	3.3
407.06598	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37045	0.8
53.03939	1.8
55.01868	2.3
55.05503	3.4
57.03442	0.9
65.03941	1.8
67.05501	6.4
68.99789	3.0
69.03436	2.7
69.07070	2.7
70.06590	1.6
71.04967	1.1
71.11307	1.6
76.60464	0.8
79.05493	2.7
81.03432	1.7
81.07053	5.4
83.04973	2.2
83.08622	1.6
85.02906	1.5
85.06558	1.1
88.23259	0.8
91.05462	3.9
93.07047	4.0
95.04969	3.0
95.08617	3.7
97.02874	1.1
97.06551	1.6
99.37350	0.8
105.07024	3.8
107.04952	2.0
107.08602	1.5
109.06532	1.1
109.10181	3.0
111.04437	4.9
115.05502	1.3
117.07018	1.1
118.24622	0.8
119.08591	2.2
121.10125	1.5
123.04424	9.0
123.08093	1.0
123.11641	1.3
127.03937	1.8
129.07024	1.7
131.04932	3.1
131.08586	2.0
133.06479	1.4
133.10179	1.4
135.04414	1.3
135.08089	0.9
135.11707	1.3
137.06009	2.8
137.09587	1.6
139.03903	100.0
143.08501	1.0
145.06493	2.3
145.10107	1.7
147.04367	1.3
147.08081	0.9
148.05101	0.8
149.06000	2.9
151.03928	6.1
151.07603	1.1
153.01820	0.9
153.05450	1.8
153.07071	1.0
155.03481	0.8
155.08542	1.4
159.11679	1.1
161.06000	9.4
163.03909	19.0
163.07585	2.5
164.04422	0.8
165.05560	1.6
167.07123	1.7
167.08554	1.0
169.06482	2.2
173.05978	11.5
175.03845	0.8
175.07538	2.4
175.58177	0.9
177.05551	1.9
179.03374	6.1
181.05014	1.9
181.06465	1.7
183.08150	1.0
185.05960	1.8
187.07552	5.6
189.05487	3.4
189.09172	0.9
195.08121	1.1
197.06009	2.3
199.07532	5.9
201.05519	1.9
201.09090	3.9
203.07115	1.5
205.05042	1.8
210.06808	1.2
211.07590	3.6
213.05458	1.5
213.09090	2.7
215.07019	1.9
217.15939	0.9
223.07574	1.6
225.05664	1.2
225.09059	1.2
227.06989	1.8
235.09641	2.9
237.05554	1.1
269.15350	2.4
271.06033	1.0
282.05099	0.7
283.06088	2.8
285.14746	1.5
287.16437	1.6
293.15256	1.3
295.06036	3.5
297.07596	2.0
297.14917	1.0
309.07535	2.4
313.07089	3.6
315.12482	1.0
315.15881	15.0
319.08081	1.1
322.08267	1.2
323.09271	1.2
327.15897	4.0
331.32617	1.0
333.17123	1.7
335.09253	1.1
339.15833	4.3
340.12634	0.9
345.16965	5.7
353.15033	1.1
357.17108	2.0
369.61566	1.0
409.16574	1.0
421.16513	2.2
429.16888	1.4
439.17581	2.1
447.18066	7.0
465.19186	9.7
483.19864	5.3
483.26642	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1627
Annotation	Antibiotic 1072A
Peak:m/z	Relative Intensity
56.96557	10.9
69.03400	3.3
71.57829	6.0
73.09834	2.9
79.01878	5.9
81.03399	6.1
84.04488	5.5
85.02891	7.1
89.87315	2.9
97.02879	12.2
110.07200	4.8
120.08044	5.8
120.73109	3.2
125.02332	8.7
127.03877	9.7
128.33249	3.9
137.05962	4.2
139.03906	8.5
143.03383	8.0
153.01830	100.0
153.02893	3.4
169.01312	8.3
170.05008	3.2
179.03282	4.2
219.02895	3.5
277.07471	6.9
295.08780	4.3
321.10233	8.2
339.11185	13.6
351.14212	9.6
357.12643	3.6
363.18390	4.1
465.14725	4.3
474.27780	3.2
483.16272	90.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
65.23370	0.1
67.05502	0.2
68.99814	0.1
69.03423	0.2
69.07064	0.4
69.78082	0.1
70.51647	0.2
70.52020	0.4
70.93535	0.1
74.51915	0.1
76.37263	0.1
77.53575	0.1
78.35040	0.1
79.05470	0.2
81.07063	0.9
85.02894	0.3
93.07055	0.2
95.04977	0.1
95.08579	0.3
95.09155	0.1
97.02866	0.2
99.18291	0.1
104.66034	0.1
105.07023	0.2
107.08595	0.2
109.02845	0.1
119.08601	0.1
123.04407	0.3
123.08069	0.1
127.03925	0.2
137.02399	0.1
139.03909	0.6
151.03926	0.1
153.01834	0.3
157.99217	0.1
161.05969	0.1
163.03865	0.3
171.02975	0.1
171.04341	0.1
179.03412	0.5
195.72383	0.1
199.20901	0.1
205.04956	8.1
206.05742	14.8
207.06317	0.4
220.07303	0.4
235.09642	100.0
236.09932	1.6
238.01630	0.1
276.65277	0.1
373.09671	0.1
397.14862	0.7
465.13434	0.1
465.19324	0.2
483.14926	1.6
483.26093	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	483.1287
Annotation	CHEBI:70258
Peak:m/z	Relative Intensity
51.36423	0.3
51.48203	0.4
53.57578	0.4
55.01871	0.6
55.05509	1.0
56.96563	0.4
65.03929	1.3
67.01858	0.6
67.05492	0.9
68.99776	1.3
69.03417	1.1
71.58595	0.4
79.05475	0.8
81.03403	1.2
81.07059	0.6
83.04971	1.1
85.02914	1.6
89.03929	2.1
91.05478	0.8
93.03410	0.7
93.07046	0.5
95.04945	0.5
95.08600	0.8
97.02897	1.6
105.07029	0.8
107.04935	1.2
107.08564	0.4
109.02888	1.1
109.10151	0.8
109.18746	0.4
111.00834	0.5
111.04423	4.2
117.03384	2.9
121.02874	0.9
123.04411	1.1
127.03876	1.2
131.08582	0.5
133.10135	0.6
134.03651	0.6
135.04411	0.5
137.05989	0.9
139.03897	100.0
140.04237	1.0
145.02831	8.3
147.04424	0.5
149.05991	1.3
151.03893	1.7
153.01862	0.7
161.05956	0.4
163.03885	2.0
169.05116	0.5
177.05469	11.5
179.03438	0.5
197.01276	0.6
205.04985	1.4
205.99994	0.6
217.15845	1.0
235.16858	0.6
271.06012	0.5
271.09683	0.4
289.06982	2.3
317.83780	0.4
483.22394	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1133
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
51.02365	0.9
53.03940	1.1
54.40099	0.7
55.01868	1.0
67.01851	2.0
69.03419	2.8
69.81322	3.0
69.81725	1.2
71.05007	0.7
71.35820	0.7
71.64592	0.6
79.01849	4.6
81.03407	7.9
85.02905	4.9
88.34473	0.7
91.05450	0.8
97.02873	7.3
99.04452	1.2
103.05443	0.9
107.01302	2.0
109.02876	5.1
113.01685	0.6
115.42096	0.6
123.04421	2.6
125.02361	5.5
127.03912	8.5
131.04875	0.8
137.05981	1.5
143.03387	7.1
145.04956	1.6
151.03891	8.8
153.01822	100.0
153.02795	3.5
154.02150	1.7
165.05470	0.9
169.04953	25.3
171.01529	1.1
171.02896	11.2
171.04259	1.3
179.03419	0.7
181.04950	0.6
193.05006	3.4
211.06001	3.3
235.06001	0.9
259.05991	1.3
277.07162	1.3
297.06030	6.6
303.04926	2.1
315.07059	2.4
324.91010	0.8
377.01819	1.5
397.36063	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	1.8
55.85627	2.0
56.96564	12.3
57.03429	1.6
59.45918	1.6
61.02917	2.4
64.75581	1.5
65.43568	1.5
69.03433	6.4
70.36481	5.4
73.02925	1.8
74.14724	1.3
77.65214	1.7
81.03410	2.8
82.88712	1.5
82.97693	1.7
84.96019	2.9
85.02903	9.8
89.03905	2.7
97.02896	5.7
98.97564	19.1
100.07587	1.7
101.00902	6.7
101.45259	1.4
107.52347	1.7
110.97594	2.0
112.99136	3.0
116.98614	15.4
117.03368	2.6
119.01914	36.2
119.04956	1.6
121.03548	2.0
127.03925	5.4
128.18161	1.5
128.98636	4.7
131.00203	8.1
131.01895	18.4
133.03470	7.6
134.99655	12.3
137.02939	8.2
143.01888	14.2
145.03511	14.8
145.05035	1.8
146.99683	7.7
147.01395	3.0
147.04326	3.4
149.01205	11.4
149.02950	4.3
151.04494	2.2
153.01849	2.7
153.96962	1.8
154.08621	1.8
155.01874	17.1
157.03487	9.4
158.99675	6.2
159.03174	1.6
161.01433	3.4
161.02951	36.7
163.02739	3.1
163.03883	4.2
165.00751	2.1
167.02031	6.5
169.03368	2.4
170.99693	2.3
171.05086	3.2
173.01299	4.9
173.02956	48.3
174.03209	2.0
175.04559	9.1
177.00714	9.5
177.02309	3.7
177.05721	2.4
178.04915	2.8
183.05037	2.9
184.04582	2.5
185.02948	43.7
187.04547	8.5
189.00735	3.7
189.04343	3.5
189.06116	3.2
191.02242	5.0
191.04004	3.3
196.09647	1.8
197.02954	16.6
201.00676	4.8
201.02486	21.5
201.06087	14.0
203.04042	17.4
207.05260	2.1
209.03032	3.3
211.04668	2.0
213.02449	5.5
213.04233	2.0
213.06090	1.9
215.04054	14.6
219.01767	6.6
219.03520	82.5
219.07146	7.5
220.03641	2.7
221.05147	8.0
223.05049	1.7
227.04115	7.3
231.03647	7.8
231.07280	3.1
237.02705	16.7
237.04811	2.7
242.05217	5.2
243.03586	2.3
243.07161	1.8
245.05075	100.0
246.05348	2.5
247.04723	2.0
249.04543	6.5
255.03609	4.5
257.05072	6.1
259.57718	2.0
261.04813	8.5
261.08371	3.1
263.06177	12.5
275.06250	11.3
279.05765	3.7
285.12274	1.9
286.07687	2.3
291.09418	2.1
293.07184	6.7
303.05588	17.8
303.09369	4.8
305.07068	6.5
321.06638	22.4
321.10388	11.8
321.13846	2.2
322.06940	2.1
333.08487	2.5
335.08133	3.9
337.07861	10.4
351.05969	2.9
351.11276	3.0
355.09137	5.9
365.09131	6.9
483.11230	4.9
483.16257	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	482.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.8
56.05035	1.3
57.03440	1.5
57.07082	2.9
58.06614	1.5
60.07880	1.0
60.08165	16.0
63.34542	0.6
67.05509	1.4
69.07051	0.9
69.63247	2.6
69.63660	1.6
71.07383	5.9
71.08632	1.9
79.19754	0.6
81.07037	1.1
85.10187	1.1
86.09708	47.5
87.10041	0.7
95.08633	1.0
98.21495	0.8
98.98480	3.5
104.10747	98.4
105.11099	1.1
113.27454	0.5
125.00009	26.3
140.75693	0.5
184.07346	100.0
185.07773	1.3
258.11069	0.7
299.25928	2.3
464.31396	7.7
465.31839	0.6
482.32413	21.9
483.32773	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85400	1.3
55.05504	2.4
57.07074	65.3
62.06077	3.6
69.07078	7.6
70.01611	7.7
71.08630	54.5
73.06538	2.6
83.08600	4.0
85.10183	38.1
87.04467	3.3
89.06030	100.0
92.97791	1.3
93.17387	1.3
97.10157	2.7
98.20800	1.5
99.11728	6.9
100.38079	1.3
107.07050	5.6
111.11703	4.3
113.13290	6.8
117.09118	2.4
125.13291	2.6
127.14832	3.5
130.08630	3.6
133.08597	56.7
149.22086	1.5
155.00948	1.4
176.16559	1.3
177.11217	22.5
182.28558	1.4
195.12265	3.7
221.13803	2.5
239.14900	4.6
271.26270	4.1
283.14673	2.2
283.17517	28.5
310.30841	1.9
315.28827	3.1
341.30573	11.8
436.83057	1.3
453.44727	1.5
465.37830	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	482.9994
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	1.5
57.87925	0.8
61.49871	0.9
67.09384	0.7
71.57356	1.5
82.18458	0.7
97.02908	2.3
98.97577	4.1
109.80566	0.9
116.98637	5.3
134.99615	4.1
151.71919	0.8
156.96626	1.3
174.97641	3.4
192.98717	6.6
198.97795	1.2
208.96529	0.9
210.99785	1.0
214.95573	1.5
216.98648	2.3
219.02060	1.0
232.96678	11.1
234.99860	5.6
238.95782	1.3
250.97775	18.9
253.00970	1.3
256.96658	9.6
258.99988	6.9
260.00006	0.8
260.99750	1.9
261.02744	1.1
274.97748	57.0
275.97864	2.0
276.98215	1.3
277.01013	11.2
278.01169	2.5
279.00876	2.9
280.96829	2.9
282.99908	8.1
284.00229	1.8
284.99747	2.1
292.98776	16.4
297.99640	1.0
298.97723	42.1
299.97891	1.6
300.97617	1.2
301.01038	24.5
302.01193	3.6
303.00916	4.9
316.00323	0.8
316.98801	100.0
317.98859	6.2
318.98669	2.1
319.02106	2.5
320.02405	0.8
334.99875	5.6
340.00348	6.0
340.99371	0.9
344.78360	0.8
356.97107	1.1
358.99979	6.4
374.97928	2.8
398.97849	1.8
401.01010	4.6
402.01370	2.7
408.68884	0.9
416.98956	8.1
418.98660	0.9
422.97739	4.8
425.01382	2.0
440.92719	1.9
440.98743	40.1
441.99536	2.4
443.02505	11.1
444.02054	2.3
445.02097	4.8
446.02124	1.5
458.99936	83.2
459.99890	4.5
461.00131	2.5
477.01044	1.8
482.01581	7.6
483.01474	5.6
501.02875	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.4
53.56768	2.1
55.05496	9.5
57.03426	8.9
61.02911	5.4
67.05507	12.9
69.03411	6.5
69.07043	3.9
70.06583	7.3
70.72005	7.4
71.04971	4.3
76.58997	2.3
79.05503	12.1
81.03415	46.5
81.07046	17.3
83.04955	10.7
83.08630	13.9
85.02888	19.0
91.03976	3.4
91.05487	18.2
93.07043	10.8
95.04967	14.7
95.08584	4.6
97.02883	5.3
97.10143	3.0
105.07024	14.4
107.04935	7.9
107.08591	6.9
109.06516	4.0
109.10138	3.4
111.08055	6.0
119.08561	9.2
121.10113	8.2
122.03607	2.3
123.04456	2.7
129.07008	8.1
131.08549	6.7
133.10123	8.1
137.06013	3.7
137.09528	2.5
142.07764	2.3
147.08084	3.0
147.11658	10.9
149.09610	6.6
157.10121	10.3
161.77861	2.1
165.12799	3.3
175.11154	11.4
193.12236	54.4
211.13304	47.8
229.14436	3.2
243.55814	2.6
267.15933	20.8
285.16965	100.0
300.91418	2.5
302.04376	2.5
303.05011	2.3
307.37744	2.2
351.45154	2.4
366.77759	2.5
368.66647	2.3
404.34628	2.2
411.69482	2.8
482.21609	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	482.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.4
55.05510	6.2
56.96563	3.7
57.03433	4.0
65.46870	3.2
67.05492	16.0
69.07061	8.2
70.06579	9.1
70.49501	11.3
79.05488	7.9
81.07059	45.0
83.04980	4.9
83.08617	4.7
85.02894	5.2
85.06530	5.0
88.28773	3.4
91.05474	14.3
93.07054	11.2
95.04978	6.0
95.08595	12.7
97.02905	4.2
97.06523	5.0
99.08148	3.9
105.07030	16.9
107.08607	9.4
109.06471	4.8
109.10071	3.2
119.02869	3.0
119.08599	17.9
121.10143	14.0
123.04417	7.5
123.11732	17.3
127.81792	3.1
133.10226	3.3
136.06169	2.9
137.05951	7.9
139.03923	3.4
147.11679	48.7
157.10124	4.5
165.12779	26.9
177.05533	9.5
181.05016	3.5
183.13751	4.1
184.53598	3.3
229.14359	6.7
237.52029	3.3
250.67433	3.2
267.15912	55.5
285.16980	100.0
286.17197	4.8
311.09814	3.5
316.20798	3.4
318.24600	3.1
357.56091	3.0
358.44797	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	11.0
55.01880	10.6
55.05508	26.0
57.03444	13.5
57.07074	15.6
61.02948	9.4
62.01085	5.2
67.05504	33.0
68.05847	6.3
69.03438	21.4
69.07073	64.5
71.05001	13.4
71.08640	9.4
71.59789	7.7
73.06553	13.2
79.05507	12.4
80.80389	5.1
81.03419	41.5
81.07066	25.7
82.07388	5.5
83.04961	9.8
83.08620	10.5
85.02905	67.6
87.00808	22.9
89.06039	26.9
91.05486	26.0
92.05795	6.8
93.07074	15.5
95.04972	18.0
95.08593	9.0
97.02901	39.3
97.06519	10.0
98.21564	5.6
99.04461	13.2
105.01862	39.5
105.07038	28.7
107.04970	10.7
107.08581	19.7
109.02888	21.2
109.06501	6.8
109.10155	16.6
110.10474	9.3
111.11719	90.6
117.06992	7.8
119.08601	7.1
121.10155	7.4
123.04427	17.2
127.03910	47.4
129.07013	7.3
129.12762	100.0
131.08565	6.5
133.10143	17.8
135.32011	6.7
139.03908	12.3
145.04973	19.6
151.11153	9.0
152.11520	6.4
159.02867	9.0
163.03906	35.8
174.50577	5.6
181.04987	10.0
193.12225	15.0
199.16969	17.7
211.13287	21.3
212.13795	9.7
217.18182	6.8
224.12909	6.1
231.05034	12.0
241.05040	7.9
243.06668	7.8
253.14404	9.0
254.14708	8.7
271.05994	17.7
296.30814	6.3
333.16965	7.8
421.16562	10.3
465.19119	42.7
482.21286	6.2
482.28073	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	482.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.2
57.03427	10.0
62.41298	3.7
67.05496	12.6
68.99789	4.8
69.03417	5.1
69.47505	27.5
69.47928	10.0
70.06583	13.9
73.02895	4.4
79.05492	18.8
81.03428	42.0
81.07056	15.5
83.04961	12.9
83.08611	11.9
85.02904	23.5
91.03944	5.2
91.05471	18.0
93.07027	12.6
95.04955	14.1
95.08607	4.4
97.02901	10.0
105.07020	13.5
107.04931	6.5
107.08633	7.0
109.02897	4.7
114.05525	4.4
119.08586	11.3
121.02895	8.9
121.10158	5.9
123.04414	5.9
125.72656	3.8
127.03912	7.4
129.06938	3.8
133.10130	7.8
143.03415	4.7
147.11690	10.5
151.03967	7.5
153.01826	79.9
157.10152	7.5
169.04973	13.2
175.11160	7.6
185.09291	8.3
193.12230	32.4
196.92566	4.0
211.13289	24.4
211.71054	4.0
252.09435	4.4
267.15973	11.1
285.16965	78.8
287.02240	4.9
287.05481	100.0
288.05792	14.4
297.05844	7.3
320.04605	6.6
334.20377	4.9
361.02237	54.6
362.02393	7.2
379.03406	25.9
384.03494	4.2
386.02509	4.3
394.42874	4.2
394.49026	4.1
403.03333	7.4
444.71509	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	482.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.7
55.91311	1.8
62.31668	1.7
63.92828	1.8
65.76351	1.8
67.05492	3.6
67.82702	2.1
68.99782	3.4
69.03419	3.8
69.99812	10.5
70.06588	15.4
79.05493	4.1
81.07049	9.1
85.02879	6.8
91.05470	5.6
91.38073	1.9
93.07033	8.6
97.02854	3.2
100.38467	1.9
103.05450	7.6
105.07030	10.3
107.04942	5.8
115.05419	4.9
119.08588	2.8
121.06503	47.0
123.04426	18.0
124.70887	1.9
127.03878	2.0
132.86665	2.0
133.06479	11.2
137.05957	3.2
143.04846	1.9
147.11662	6.0
149.05980	100.0
153.05423	3.5
161.05948	9.7
163.03909	18.2
163.07582	3.1
167.07071	3.8
171.96721	2.1
173.06024	4.0
177.05417	6.3
178.06241	39.0
181.08627	8.9
189.09015	2.2
193.08620	22.9
233.11510	2.2
243.10207	2.1
271.09570	3.1
285.17038	9.5
303.12292	51.9
327.12311	2.1
360.23636	2.1
368.13132	2.0
466.97842	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32941	1.5
53.03944	2.5
53.58803	1.4
55.01876	3.4
55.05499	3.0
57.03448	1.9
67.05530	2.4
68.99793	6.3
69.03432	5.2
69.07064	2.2
70.06596	18.7
71.04987	1.7
71.58856	2.5
73.02901	1.6
79.05492	6.5
81.03403	5.2
81.07055	10.0
85.02900	19.2
87.04530	1.8
91.05465	8.3
93.07047	9.0
95.04963	5.7
97.02900	5.2
99.04473	1.7
103.05482	10.1
104.97565	1.6
105.07037	10.5
107.04973	4.4
107.08588	1.6
109.02847	1.6
109.06558	3.0
114.77534	1.7
115.05447	2.8
119.04958	3.3
121.06502	62.9
121.07375	3.3
122.03587	1.6
122.06824	1.7
123.04430	41.2
127.03908	2.5
131.04893	1.9
131.08644	2.1
133.06502	25.5
134.58826	1.5
137.05988	13.0
145.05032	1.7
145.06508	2.3
147.04433	3.2
149.05983	100.0
153.05458	5.1
155.08562	1.7
161.05980	26.7
162.06560	2.2
163.03897	17.1
163.07584	4.2
165.05402	1.8
165.09126	2.3
167.07037	29.8
177.05479	8.9
178.06250	47.4
179.06955	2.5
181.08585	11.5
193.08600	29.6
211.07669	2.0
212.19034	1.6
243.10152	1.9
249.72755	1.8
271.09686	1.8
290.85797	1.6
303.12268	62.7
316.72510	1.8
349.43170	1.7
482.20862	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	481.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30246	0.8
55.05508	2.4
57.06786	1.9
57.07074	35.7
67.05514	1.3
69.07062	3.2
69.66950	6.7
71.08633	27.7
73.06557	6.4
83.08602	2.5
85.10186	21.7
87.04467	3.9
89.06029	100.0
91.07601	0.9
92.43442	0.7
97.10175	3.7
99.11726	4.7
107.07067	6.3
109.10138	1.1
117.09140	4.1
130.08641	3.1
130.60413	0.8
131.07080	0.9
133.08598	36.9
144.43800	0.9
155.17963	2.4
177.11237	8.3
189.99129	0.8
199.20564	1.0
240.23239	1.1
283.17560	1.0
346.94815	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30191	0.9
53.03937	1.3
53.05369	0.9
55.01864	1.8
57.03414	1.2
61.02909	2.7
67.05486	2.9
68.99775	1.9
69.03428	5.6
69.07036	0.9
70.06573	1.6
71.58252	1.3
79.05508	4.0
79.05880	0.8
81.03399	3.3
81.07042	2.3
85.02428	1.4
85.02901	17.6
86.09700	1.0
91.03962	1.2
91.05460	4.0
93.07027	2.6
95.04979	4.4
97.02866	4.6
103.05438	2.2
105.07032	3.3
107.04951	10.6
107.71661	0.9
109.02837	1.9
109.06541	1.1
120.08079	1.5
120.27367	1.1
121.06497	16.5
122.65698	0.8
123.04424	100.0
124.05230	5.7
125.06026	1.6
127.03902	2.7
133.06485	17.9
133.37090	0.8
137.05974	2.8
139.03888	1.2
139.07532	12.3
145.04967	2.8
145.06509	1.4
147.04358	3.1
149.05980	33.9
151.03757	0.9
152.04674	5.1
153.05431	1.6
161.05975	10.5
163.03880	3.6
166.04120	0.7
167.07034	62.1
168.07332	1.2
173.06003	1.3
177.05472	1.5
178.06244	12.2
181.08578	2.6
193.08589	14.2
197.06050	1.1
210.15027	1.0
271.09851	0.9
303.12259	27.7
369.13083	1.3
379.09558	1.1
482.20932	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	481.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.01872	1.0
57.03432	1.2
61.02922	1.8
65.03953	2.1
67.05515	1.0
68.94591	0.6
68.99796	0.8
69.03424	4.9
69.11614	0.7
70.06595	1.2
71.04994	0.8
71.37713	1.6
73.02911	0.9
81.03414	2.7
81.07065	1.1
83.04967	0.7
85.02905	8.5
91.05481	1.0
92.05004	2.6
96.08143	3.4
97.02905	3.3
98.06065	0.8
109.02882	1.0
111.00805	0.8
122.06071	1.5
124.07557	4.1
126.09151	10.8
127.03922	1.8
137.02405	1.3
138.05469	1.2
138.09151	3.4
148.04037	1.1
150.05489	1.8
152.07054	25.8
153.01810	5.6
164.03403	0.9
165.01848	1.7
166.04999	48.0
176.03429	8.3
182.04514	8.1
183.02919	0.8
194.04456	5.6
198.07845	1.2
199.08679	1.4
200.10739	1.8
212.09494	2.8
217.05042	1.2
225.10150	1.3
227.11746	4.0
228.10341	1.6
229.13307	1.8
230.08101	0.9
233.09251	3.0
240.09058	2.4
241.09692	1.9
243.11340	1.8
245.04482	2.1
253.09695	3.6
255.11232	4.5
257.09253	2.6
259.07297	2.7
261.12454	2.4
270.10114	0.9
271.10779	11.0
273.03946	2.8
273.08701	1.1
273.12344	3.0
283.10760	39.1
289.11859	6.0
301.08395	1.8
301.11829	35.8
305.05878	0.9
319.04565	33.7
319.12869	100.0
320.04828	1.1
320.13229	1.7
463.16769	1.4
472.08334	0.9
481.17932	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	481.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18525	0.3
54.76242	0.3
60.04523	5.7
63.81321	0.3
69.07066	0.4
70.02946	0.4
70.06555	0.5
71.57938	0.4
81.07069	0.3
85.02917	0.4
86.09701	21.0
87.05591	5.2
88.03985	0.5
91.05441	0.7
93.07043	0.9
95.04933	0.3
103.05454	3.2
107.04951	0.9
112.11226	0.4
120.08097	100.0
121.08444	0.8
128.10707	2.8
134.04501	0.6
153.01813	0.8
159.07890	0.3
162.09201	0.3
173.12851	24.9
201.12325	11.0
201.14218	0.6
204.83798	0.3
233.16402	0.4
245.04715	0.3
261.15872	0.4
263.10318	0.4
264.09061	0.3
281.11304	23.0
286.04678	0.6
287.05518	1.3
301.03323	0.3
303.17010	1.1
319.04416	2.6
348.19263	0.6
481.26364	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1704
Annotation	Paeoniflorin
Peak:m/z	Relative Intensity
52.03777	0.4
52.04029	0.4
53.03942	1.1
55.01862	0.4
65.03911	0.5
67.05488	0.4
68.99784	0.5
69.03414	1.0
70.06583	0.4
71.03889	1.1
71.04237	0.3
79.05495	5.9
81.03407	0.5
81.07030	1.0
85.02941	0.4
91.05476	1.2
95.04971	2.3
97.02854	0.5
105.06998	0.4
107.04952	22.4
109.06515	0.9
119.08629	0.4
121.06528	0.6
122.03687	0.5
123.04430	2.7
124.05253	2.3
125.05989	5.0
131.04904	0.4
135.04427	1.8
135.05534	1.9
137.05974	100.0
138.06322	1.0
139.07520	4.9
147.04375	0.9
149.05998	0.5
151.03931	0.7
151.07643	0.5
152.04662	1.9
153.01881	1.0
153.05486	0.5
163.03912	5.2
165.05473	9.5
167.07030	15.5
177.05519	0.6
181.04979	0.4
194.08154	0.6
195.06523	4.9
213.05402	0.4
222.06514	0.3
241.08600	0.5
243.06476	0.6
269.08017	2.3
271.02444	0.5
271.06006	1.7
286.08279	2.8
287.05487	1.4
301.10715	1.6
302.04236	0.6
303.04810	1.1
304.04855	1.2
305.05402	0.4
317.06546	1.7
318.06976	1.2
319.07327	2.4
319.11737	32.1
320.12146	0.7
331.01089	0.4
421.05612	4.0
438.64484	0.4
481.07559	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
53.78313	0.8
53.81726	0.9
55.01859	1.4
55.05493	2.1
57.03432	0.9
65.03931	1.0
67.05497	6.3
68.99793	2.2
69.07056	1.7
77.03928	1.1
78.04726	1.1
79.05497	5.0
80.05829	0.9
81.03410	7.7
81.07069	6.0
83.04978	1.5
83.08614	1.3
85.02918	1.4
87.16133	0.8
89.03900	1.3
91.05489	6.1
91.82947	0.8
93.07035	3.7
95.04961	3.5
95.08601	2.2
97.06566	1.4
97.10170	1.3
102.04684	1.1
103.05460	7.8
104.06227	3.3
105.03405	1.9
105.07034	4.9
106.07395	1.0
107.04949	5.0
107.08594	2.1
109.02882	1.1
109.06494	1.0
109.10175	1.9
111.04434	2.0
115.05439	2.4
117.03356	1.3
117.07035	1.8
118.04175	2.8
119.04920	1.8
119.08593	1.9
121.06521	3.5
121.10131	1.5
123.04436	3.2
129.07079	1.5
130.04161	3.7
131.04929	24.6
131.08571	1.6
132.05717	22.0
133.02872	4.1
133.06523	2.6
133.10133	1.6
134.03644	0.9
135.04396	2.2
135.11708	2.5
137.02336	100.0
137.05980	2.2
138.02615	1.1
141.06947	1.9
145.02815	1.3
145.06480	1.8
146.03613	2.1
147.04440	5.4
147.11627	1.2
148.05173	9.0
149.02362	1.2
149.05983	3.3
149.13196	0.9
150.03111	1.3
150.78802	1.0
151.07520	0.9
152.06221	1.4
153.05435	1.2
153.06808	0.8
155.03387	4.6
155.53235	0.9
158.75880	0.9
159.04430	2.1
159.11703	1.2
160.05176	9.5
161.05969	3.5
163.03915	8.2
163.07550	3.3
167.07056	12.7
169.06523	2.0
173.06004	2.8
176.04695	3.3
177.05464	12.2
178.06245	2.6
179.07069	2.9
180.07823	2.3
181.04959	1.6
181.06439	1.9
182.09393	1.0
183.04390	1.4
185.05965	1.4
187.02480	0.9
187.03865	4.6
187.07581	2.4
191.07011	25.4
192.07809	66.1
193.08508	1.6
197.05957	4.6
207.06525	1.1
209.11752	0.9
210.08823	2.5
211.07452	1.0
211.13414	1.0
215.07092	4.6
225.05475	2.6
227.07115	1.1
229.04929	5.5
237.05482	1.4
243.06523	9.4
253.04874	1.1
267.06485	1.3
271.05994	21.4
271.08795	1.4
283.09720	1.6
297.07547	9.8
303.05005	1.4
305.05438	1.6
309.07620	3.3
311.09174	1.3
327.08817	1.4
341.10150	1.8
353.10153	2.2
431.11102	4.2
451.13849	2.9
463.13828	9.6
481.14853	12.5
481.28647	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64600	1.0
55.01861	2.0
60.19419	1.1
63.02876	1.1
65.03932	1.5
67.05496	2.3
68.99801	2.4
71.58028	1.9
77.03935	1.3
79.05482	2.8
81.03415	10.5
81.07078	2.0
83.02809	1.2
91.05490	8.0
93.07022	2.0
95.04958	2.7
103.05449	8.6
104.06242	2.3
105.03428	1.4
105.07059	5.4
107.04959	8.1
109.10141	2.5
115.05456	2.7
117.03349	1.5
119.04962	3.6
121.02913	1.4
121.06506	4.4
123.04464	2.8
127.03912	1.3
131.04929	13.5
132.05721	13.4
133.02838	6.2
133.06503	5.3
135.04478	5.3
137.02335	100.0
137.05966	2.7
138.02708	1.4
141.07010	3.1
145.02870	1.3
145.06580	1.8
146.03596	2.9
147.04443	6.6
148.05164	2.8
149.05965	7.8
151.03952	2.6
151.07620	1.2
153.07079	1.4
154.06300	2.0
155.03407	6.6
157.06445	1.8
160.05243	4.3
161.05968	12.3
162.99149	1.8
163.03897	14.6
163.07588	1.5
165.05493	4.0
167.07037	22.7
169.06494	2.4
173.06026	4.1
176.04648	1.6
177.00667	1.3
177.05475	9.5
179.07036	4.6
180.07823	9.1
181.08669	3.1
182.09387	7.3
187.03908	13.5
187.07532	2.6
191.07019	5.0
192.07777	15.5
193.08594	14.5
197.06006	8.2
199.03841	1.1
201.05501	3.0
209.08078	10.9
210.08888	15.9
215.07002	8.0
215.72029	1.3
225.05476	3.6
227.07053	1.8
229.04974	11.9
232.99985	1.1
235.07567	1.6
235.60146	1.2
237.05605	1.3
241.91092	1.2
243.06575	7.2
250.06348	1.3
271.06009	47.4
279.06567	4.1
283.05972	3.2
297.07614	20.8
309.07550	2.6
321.07468	2.2
327.08594	4.4
347.14886	1.4
353.10150	2.6
363.14014	1.2
371.10956	1.2
378.04706	1.2
383.24271	2.4
414.58975	1.2
431.11099	3.8
445.13028	1.9
451.13864	4.9
463.13870	2.7
481.14987	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	481.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.6
55.68661	2.7
57.61551	2.5
67.05494	2.4
68.81628	2.2
68.99774	4.5
73.45726	3.0
74.25446	2.1
75.18179	2.1
79.05484	3.2
81.03419	9.8
81.07053	4.4
84.69315	2.8
86.49581	2.3
91.05480	8.8
93.07058	4.1
95.04973	4.8
103.05442	7.8
103.42577	2.5
105.07030	7.1
107.04958	8.6
111.04460	2.5
115.05447	3.7
119.04914	3.4
121.06495	6.2
123.04467	6.0
123.08128	3.0
131.04947	14.5
132.05707	12.8
133.02837	7.0
133.06483	7.1
134.03644	3.6
135.04425	4.1
137.02345	100.0
137.05989	15.0
139.03888	3.9
141.07037	3.5
145.06549	3.3
147.04433	6.0
148.05258	3.5
149.02382	2.9
149.06009	7.2
154.06226	4.3
155.03371	5.4
159.04396	4.7
160.05168	5.3
161.06020	15.9
163.03899	25.4
165.05402	3.0
165.09218	2.8
167.07043	20.8
173.06015	2.8
177.05452	13.1
180.07820	10.7
181.08601	5.8
182.01003	2.5
182.09372	8.4
187.03893	14.4
191.06990	6.3
192.07780	13.4
193.08597	20.1
193.94240	2.8
197.05998	7.5
209.08087	17.3
210.08894	16.7
215.06992	5.5
217.05087	3.3
225.05499	5.6
229.04962	10.9
243.06650	7.3
255.06450	3.0
271.06021	45.6
272.06119	2.9
279.06635	6.8
281.08325	2.6
283.06006	3.3
297.07660	23.9
297.11066	3.9
309.07645	3.3
320.50177	2.9
327.08676	9.1
353.10150	5.3
431.11255	3.3
451.13873	8.0
463.13745	4.3
481.14795	25.3
481.19418	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.3
55.01867	2.9
56.96559	7.8
67.05502	7.6
69.07061	3.0
70.98615	4.4
70.98948	5.3
71.02095	2.4
72.04491	2.5
81.03411	7.4
81.07069	4.2
91.05441	4.7
93.07048	3.0
93.73553	2.9
95.08575	3.1
97.06520	2.7
103.05494	5.5
104.06290	2.8
105.03382	5.2
105.07037	5.3
107.04944	9.2
109.10146	5.0
115.05456	3.7
118.04208	3.9
119.04926	3.6
121.06500	3.4
123.04375	3.4
131.04915	22.5
132.05721	24.9
133.06468	4.6
135.04382	5.1
137.02338	100.0
137.05963	9.5
145.10027	2.6
147.04419	31.3
148.05171	8.2
149.06009	4.3
153.05479	4.2
155.03435	5.3
160.05212	12.6
161.05977	5.8
163.03932	9.3
163.07491	3.5
167.07065	17.6
173.05925	3.6
176.04712	3.8
177.05473	18.1
187.03908	3.7
191.07018	22.4
192.07819	73.7
193.08559	4.4
197.01207	22.6
197.06003	5.3
210.08928	2.9
215.02299	17.1
215.07059	4.9
220.02847	3.3
229.05058	6.6
237.02866	4.0
241.00185	8.3
243.06479	6.5
259.01266	20.9
271.06021	20.3
273.04263	3.6
297.07596	7.9
309.00775	4.5
309.07547	4.2
383.24579	3.5
395.20190	4.1
407.02905	5.4
415.03281	6.6
433.04315	20.0
437.21231	9.0
451.13644	3.4
459.05878	20.6
463.13843	8.1
477.07092	9.4
481.14719	15.7
481.20532	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	481.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76386	1.3
65.47935	1.0
69.03404	1.8
70.06570	2.0
71.10317	3.5
84.08143	1.2
85.02914	1.2
86.09694	3.0
98.09727	1.1
99.23862	1.1
119.01926	2.2
120.08088	3.4
137.02309	2.4
137.05980	4.0
149.54732	1.2
153.01830	2.9
167.07024	2.0
174.69804	1.1
185.04224	1.6
186.73340	1.2
217.38644	1.1
227.05286	4.7
233.07860	9.6
267.82431	1.3
271.04266	10.5
311.09738	1.6
332.07730	1.7
377.12131	1.4
395.13153	10.9
419.13107	1.9
437.14194	48.1
438.14822	1.4
481.13168	100.0
482.13336	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1316
Annotation	Padmatin 5-glucoside
Peak:m/z	Relative Intensity
52.01781	0.9
55.87386	0.9
56.96585	0.9
57.40990	0.8
70.06583	1.6
71.58179	0.9
71.58534	1.6
72.08162	1.5
85.02877	1.1
86.09692	1.6
88.57690	0.9
97.02811	0.9
106.28884	1.0
120.08101	2.2
137.05981	4.1
153.01810	3.1
177.05293	1.4
227.05370	4.9
232.07091	1.7
233.07820	9.6
237.02765	1.0
243.03682	1.3
269.08499	1.0
271.04214	7.1
274.10590	1.0
290.02661	1.0
311.09482	1.0
319.04608	1.7
327.12323	1.2
383.15146	1.6
395.13101	10.1
437.14169	44.3
438.14523	1.2
481.13159	100.0
482.13666	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	481.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	25.3
66.61530	3.2
71.58364	5.5
81.03427	4.7
81.07037	4.3
82.47354	3.1
84.96024	12.3
85.02916	4.2
91.05472	4.5
97.02890	9.9
98.97588	48.5
109.02892	8.0
109.10124	5.8
110.97551	12.2
116.98617	49.1
116.99362	6.4
121.53398	3.0
121.73972	3.3
123.04429	3.5
127.03902	9.5
128.98615	28.4
131.00201	9.0
134.99637	29.1
135.11656	5.1
137.06020	7.5
143.00122	5.5
143.03389	5.7
144.98058	9.7
146.99623	29.0
149.01326	5.3
153.00725	6.2
153.01822	39.6
154.02150	7.8
158.99634	6.3
160.58511	3.4
161.01259	6.7
162.99118	12.0
165.00728	6.5
167.07048	5.8
170.99614	9.0
173.01329	3.3
177.00728	19.3
180.07787	4.3
186.99100	3.8
189.00749	9.5
191.02232	3.8
201.00772	4.8
213.00735	6.0
219.01747	32.8
225.31371	3.3
226.98582	5.4
232.99626	6.2
237.02841	70.8
237.48161	3.4
254.04529	34.4
255.04013	3.4
260.04474	4.6
268.05872	3.1
268.55991	4.0
269.06827	9.4
272.05707	31.8
283.04886	7.1
293.01865	8.7
293.06897	7.7
311.02670	7.3
311.07986	31.8
323.08252	3.9
329.09247	4.9
332.05704	7.4
335.08063	6.8
337.53143	3.8
347.07938	11.3
365.08954	8.8
395.10144	42.4
405.11877	3.9
413.11243	51.4
436.12473	6.9
437.11957	21.9
437.20975	5.5
481.11011	100.0
481.20929	8.1
507.41968	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0979
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
56.96598	1.0
61.02978	0.4
67.05533	0.4
68.99823	1.3
69.03462	1.1
70.06602	0.7
71.05033	0.5
71.58163	0.3
81.03436	0.7
81.07068	0.4
85.02908	1.6
86.09731	0.8
91.05528	0.6
97.02932	1.3
105.66219	0.3
107.04983	0.8
109.02934	1.5
111.00814	2.6
111.04481	0.3
112.68820	0.3
121.06573	0.5
123.04430	1.8
124.51014	0.4
126.03205	0.3
127.03966	1.2
135.04462	0.6
137.02315	2.8
137.06009	0.8
139.03926	0.7
147.04517	0.8
153.01823	12.1
157.87943	0.5
161.03035	0.4
161.05969	0.4
162.99257	0.4
163.03935	0.6
165.01848	3.5
166.02647	0.7
177.05479	0.5
179.03378	1.7
183.02914	1.2
189.05521	1.4
195.02921	0.5
201.00737	0.4
203.03416	0.8
207.02991	0.5
217.05003	4.5
221.04388	0.4
226.98601	0.5
229.05118	0.4
235.02371	0.5
244.99905	0.5
245.04457	5.3
255.02837	0.9
263.05545	0.7
273.03912	5.6
290.04184	1.1
300.04675	1.0
301.03510	0.9
301.11877	0.6
309.05142	1.7
309.54669	0.3
317.08624	0.5
319.04483	100.0
320.04831	1.7
481.09729	1.6
481.16608	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	481.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00318	2.5
55.01881	1.9
58.22009	1.4
65.03931	2.2
68.99783	3.5
70.93143	1.9
70.93507	4.1
85.02870	1.9
87.32699	1.4
109.02891	3.3
109.16786	1.5
115.03959	2.2
120.08134	1.6
121.02881	5.7
123.04427	11.1
127.03929	26.9
138.90923	1.5
139.03902	100.0
147.04494	2.2
149.02423	2.1
150.03075	1.5
151.03900	17.8
153.01848	7.0
153.28908	1.5
162.03137	4.7
163.03932	12.7
165.01854	1.8
167.03473	2.0
171.35870	1.7
175.03946	4.3
177.01877	10.0
179.03395	29.0
189.05527	2.8
191.03381	4.2
195.02934	4.8
196.31700	1.6
201.05576	1.4
203.03442	5.7
205.04984	4.3
213.05579	2.5
217.04951	2.4
219.02859	5.0
223.02409	7.9
233.04427	2.5
237.10016	1.6
241.05156	1.8
245.04491	3.1
259.06006	1.9
261.03915	4.6
261.68188	1.6
269.04276	1.7
271.05936	3.2
273.04111	1.8
279.05020	4.8
285.06326	2.2
287.05502	58.5
288.06256	27.3
288.09335	2.5
297.06082	3.2
305.06583	2.0
319.04395	12.2
325.05716	4.2
327.04825	2.4
337.05692	2.3
369.06226	1.6
382.44760	1.5
423.19708	1.5
445.07663	5.3
479.31235	1.5
480.89020	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.6
56.05023	1.1
57.03417	0.8
58.06600	1.0
58.82435	0.5
59.07401	0.4
60.08161	16.6
67.05498	2.8
69.07066	1.4
69.99060	2.6
70.05505	0.5
70.06584	1.0
71.07371	6.3
79.05484	1.5
81.07043	1.9
83.08621	1.3
85.10198	0.5
86.09703	48.4
87.10005	0.5
93.07041	1.8
94.96375	0.5
95.08611	0.9
97.06522	0.8
98.98470	4.1
104.10739	96.7
107.08559	1.1
109.10154	0.6
121.10141	1.4
125.00000	26.2
135.11731	0.8
163.03941	2.3
175.79764	0.7
184.07333	100.0
185.07697	0.7
207.06520	2.1
258.11032	1.3
265.36984	0.6
297.24261	1.0
300.28955	1.0
331.96753	0.5
356.59409	0.5
433.18231	0.5
462.29831	6.9
480.30789	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	481.0975
Annotation	SCHEMBL1707729
Peak:m/z	Relative Intensity
55.01863	1.3
60.58930	0.7
61.02903	1.2
65.66024	0.8
67.05474	0.8
68.39613	0.8
69.03415	3.5
69.07073	1.2
70.06584	0.9
70.46224	3.3
73.02911	1.2
76.58334	0.8
81.03414	1.4
85.02902	8.4
88.94567	0.7
91.05463	0.9
95.01313	0.9
95.04955	0.8
97.02872	3.3
101.34510	0.7
106.64369	0.7
109.02877	1.5
111.04432	0.9
121.02831	1.9
123.04417	1.6
127.03926	2.2
137.02356	13.8
137.05934	1.1
147.04390	1.3
151.03986	0.9
153.01802	4.6
169.01350	4.6
171.04369	1.2
175.03947	0.8
181.01340	1.8
189.05406	1.2
199.03871	2.8
217.04993	1.8
227.03424	1.4
245.04446	4.0
255.02901	1.0
255.63953	0.8
273.03949	9.0
287.05548	3.4
289.07565	1.1
301.03452	10.8
301.07001	1.6
303.05002	2.1
304.05328	1.6
305.05478	4.7
319.04480	100.0
439.04306	1.0
463.10294	1.5
481.14508	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	481.0974
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
55.01852	0.8
57.03419	1.0
61.02921	1.8
68.99801	1.6
69.03426	3.8
69.72386	4.8
71.37809	0.8
73.02947	0.8
81.03411	1.7
83.78958	0.7
85.02898	11.5
97.02866	3.4
109.02898	1.8
111.00804	2.8
127.03954	1.1
137.02339	2.3
142.93546	0.8
145.04968	1.1
153.01826	15.1
165.01804	4.4
166.02638	0.7
167.06677	0.6
179.03320	1.2
183.02878	1.5
189.05536	1.0
217.04974	4.5
245.04517	6.7
273.03918	6.9
301.03448	1.5
319.04477	100.0
320.04880	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	480.3085
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
55.05304	1.0
55.05514	11.0
55.86713	1.0
57.03434	4.9
57.07076	4.9
62.06088	28.5
63.92749	1.0
64.19185	0.9
67.05498	8.8
69.07068	20.8
69.62655	3.3
69.63081	3.8
71.08632	1.4
75.32358	0.9
79.05075	1.0
79.05492	4.5
81.07057	8.1
83.08617	11.3
88.65102	1.0
93.07025	5.2
95.08602	9.2
97.06526	2.4
97.10165	6.3
98.21428	1.9
98.98472	6.3
99.97376	0.9
107.08574	2.5
109.10163	4.2
111.08129	1.5
121.10133	5.3
123.11767	1.7
124.01611	1.2
135.11707	3.8
155.01025	6.7
173.01999	1.0
198.05276	1.8
216.06392	2.2
265.25275	3.4
266.25467	1.2
308.29495	11.1
339.28940	100.0
340.29343	2.3
419.25522	2.6
462.29584	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3085
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
50.48045	0.8
51.61076	1.0
52.78957	0.8
55.05272	1.3
55.05511	14.4
57.03444	6.3
57.07078	5.8
59.16556	0.9
60.92932	0.9
67.05510	10.9
69.06730	1.7
69.07069	18.7
69.58389	8.0
71.08626	3.7
79.05495	5.0
81.07058	10.9
83.08611	12.6
85.10182	1.3
93.07043	6.3
94.05458	1.0
95.08614	11.1
97.06554	1.9
97.10186	6.1
98.06031	1.1
107.08585	4.0
109.10160	6.2
111.11703	2.6
121.10160	5.7
123.11685	1.3
135.11673	4.2
149.13254	1.7
199.44650	0.9
237.28441	1.0
265.25357	1.8
308.29425	3.6
339.28934	100.0
340.29251	2.3
355.97818	0.9
502.42609	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05266	1.3
55.05514	15.3
57.03435	4.9
57.07078	5.9
62.05787	1.5
62.06091	27.0
67.05505	11.1
69.07067	19.1
70.75964	1.2
70.76296	1.8
71.08619	2.8
74.62611	1.0
79.05486	3.5
81.07059	11.4
83.08617	12.7
85.10205	1.3
93.07047	5.0
95.04972	1.0
95.08620	9.2
97.06513	2.1
97.10165	6.2
98.98454	9.3
107.08601	3.5
109.10147	3.3
111.11755	1.8
121.10148	3.7
123.11724	1.4
124.01616	1.7
135.11691	2.7
142.02670	1.7
149.13214	1.5
155.01064	7.3
161.12970	1.0
198.05280	2.3
216.06300	2.2
247.24181	1.5
265.25186	5.3
308.29437	14.0
339.28955	100.0
340.29175	2.3
340.97308	0.9
419.25394	2.2
462.29645	1.1
494.78201	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.4
55.01862	7.6
55.05510	6.9
57.03427	7.0
57.07072	5.6
61.02922	6.3
67.05506	7.7
69.03424	35.5
69.07064	5.3
69.35265	22.4
70.06596	2.6
71.04975	4.5
73.02902	5.2
77.76344	2.1
79.05460	2.0
81.03412	21.3
81.07052	21.5
83.08607	4.1
85.02901	100.0
87.00826	44.1
89.43285	2.0
91.05466	2.3
95.08612	21.9
97.02890	30.1
97.10172	5.8
99.04430	12.3
103.05415	2.4
105.01862	67.6
107.04985	2.9
108.04459	2.8
109.02869	28.6
109.10161	36.1
109.23054	1.9
117.39899	1.9
120.08118	2.8
123.11709	37.4
127.03918	63.2
129.01862	2.8
137.05997	4.0
137.13260	9.4
145.04967	23.3
153.01810	2.3
159.02907	11.5
177.05466	3.5
179.17950	28.4
189.04034	2.6
197.18988	22.4
213.03755	2.4
231.04988	20.8
249.06071	7.6
319.04578	3.9
476.12381	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	480.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	17.2
59.33971	5.1
63.17581	5.6
67.05521	10.5
67.63645	5.7
69.03423	79.1
69.07072	41.6
70.79206	5.8
73.02962	6.5
79.05531	8.1
81.07047	24.5
85.02910	59.3
85.91720	5.4
87.04466	56.5
91.05528	6.3
92.05814	7.3
95.04995	8.3
97.02886	77.0
98.21518	11.7
100.49162	5.5
107.04971	16.0
108.05286	6.1
109.10172	6.6
115.03914	85.2
115.04642	7.7
121.06530	20.1
123.04425	6.4
123.11679	58.0
127.03883	10.6
131.04965	6.6
133.04959	100.0
137.05969	27.1
138.06377	5.9
145.04953	10.1
149.06012	9.1
151.11197	39.9
157.78600	5.5
161.06021	8.0
163.03938	9.9
163.07521	9.3
164.07872	8.2
167.07106	6.7
173.18219	5.5
174.67894	6.1
178.06219	13.8
187.35036	7.0
214.03116	6.0
241.04988	18.4
242.05241	29.9
269.08029	7.9
271.06091	8.1
273.11176	7.3
283.15512	8.9
301.10632	37.4
303.04941	17.6
304.05228	36.3
318.14197	7.0
320.00433	5.9
378.52072	6.0
462.28220	7.2
480.13593	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58575	1.3
61.02926	1.5
67.05508	2.5
68.99786	1.5
69.03428	3.7
71.58881	1.9
73.02918	1.8
79.05491	2.6
81.03443	1.8
81.07038	3.5
85.02905	11.1
91.05470	3.9
93.07035	6.0
95.05033	1.4
97.02917	2.8
103.05455	3.6
105.07029	2.5
107.04956	3.3
121.06499	21.0
123.04463	2.3
127.03916	2.0
131.04892	2.7
133.15604	1.3
135.04424	1.4
135.08025	2.6
137.02336	1.6
137.05981	21.6
149.05988	27.3
161.05975	4.3
162.03133	1.7
164.08015	1.1
177.05441	8.6
181.06509	2.3
195.08081	1.4
197.05991	1.7
198.06807	2.1
201.31406	1.3
212.86928	1.3
213.09111	3.7
223.07539	2.8
226.06245	3.5
236.16226	1.3
240.07779	2.1
241.08598	14.3
255.06483	1.9
269.08118	11.5
269.17758	2.3
271.05966	4.3
273.11230	24.2
283.39951	1.2
286.08359	6.1
301.10696	100.0
303.05096	3.2
304.05261	7.9
318.14081	1.9
358.89481	1.5
472.36520	1.4
480.13647	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	479.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	1.7
53.03942	4.0
55.01877	6.4
55.05516	29.2
57.03438	12.4
65.03947	1.6
67.05506	82.7
69.03419	3.6
69.07069	25.2
70.65253	5.6
71.04995	7.8
73.02913	2.1
79.05495	60.7
79.63548	1.3
81.03423	51.4
81.03906	2.6
81.07059	100.0
83.04989	17.8
83.08621	29.3
85.02914	26.5
85.06569	5.4
91.04909	2.0
91.05482	52.9
93.07049	60.8
95.04975	40.5
95.08604	28.7
95.09174	2.7
97.02894	4.0
97.06527	11.4
97.10155	8.0
98.20811	1.6
99.04498	2.2
99.08070	4.4
103.34465	1.7
103.60155	1.6
105.06382	2.6
105.07040	31.4
107.04967	5.8
107.08601	37.1
109.06505	9.6
109.10155	5.6
111.04443	2.4
111.08075	15.2
113.06032	1.9
115.05435	2.5
117.07015	9.7
119.08585	20.6
121.06511	4.1
121.10148	26.3
123.08073	3.3
123.11709	6.8
125.09660	4.1
129.07010	10.5
131.08572	18.7
133.06442	1.5
133.10135	13.3
135.08072	2.6
135.11670	7.6
137.09679	1.7
142.44386	1.6
145.10124	4.6
147.08058	3.4
147.11707	19.7
149.09615	6.2
149.13263	34.4
151.11192	1.8
157.10094	12.9
159.11685	12.5
163.11247	2.2
165.12741	7.8
175.11195	12.2
177.12723	7.9
189.11214	2.0
193.12253	51.6
195.13814	5.9
211.13284	45.2
219.13921	2.2
228.45750	1.6
245.36404	1.7
249.14870	1.5
267.15884	8.7
269.17569	4.0
271.34149	1.7
285.10220	2.0
303.05008	14.8
304.05344	1.7
343.22568	4.3
361.23276	1.7
369.24438	3.8
387.25323	5.9
409.61591	1.6
461.28815	5.9
466.95068	1.6
479.30045	49.1
480.30307	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	479.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.4
53.96043	1.0
55.01867	2.1
55.05511	20.4
56.96572	1.2
57.03444	5.6
57.07072	2.5
64.10587	1.1
65.03937	3.0
67.05505	56.4
69.03434	2.3
69.07064	20.7
71.01347	1.7
71.04987	4.3
75.88892	0.9
77.03907	1.2
79.05494	38.9
81.03426	10.3
81.07056	100.0
82.07390	1.6
82.92077	0.9
83.04977	9.1
83.08617	14.1
85.02898	8.0
85.06538	5.5
91.03970	0.9
91.05480	30.5
93.07039	41.2
95.04962	12.5
95.08601	23.3
97.02907	1.1
97.06525	10.1
97.10161	2.0
99.08075	3.2
105.07027	31.2
107.04950	1.5
107.08597	25.7
109.06533	5.8
109.10154	4.0
111.08047	6.4
113.05984	1.1
117.07040	6.0
119.08588	19.4
121.06496	1.5
121.10138	21.1
123.08095	2.6
123.11704	18.4
127.07535	2.0
128.06281	1.3
129.07024	3.2
131.08553	8.7
133.06496	1.4
133.10127	7.3
135.08083	1.6
135.11681	5.5
145.10120	2.2
147.08044	1.3
147.10500	2.2
147.11681	43.0
148.12024	1.5
149.13263	17.4
157.10141	3.1
159.11722	7.2
165.12749	21.6
169.22917	1.4
175.11218	2.4
177.12775	2.4
183.13751	2.6
193.12238	9.4
195.13809	8.8
211.13260	9.3
213.14821	1.3
229.04970	2.3
229.14345	4.9
257.82495	1.2
267.15933	23.5
269.17422	2.7
303.04971	15.0
304.05295	1.6
461.28912	2.0
477.77328	1.1
479.30151	34.2
480.30508	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.4
57.03430	2.2
67.02161	1.2
67.05490	2.1
68.99775	2.3
69.03426	2.9
70.06613	1.1
71.01338	2.3
73.02910	4.1
77.07099	1.0
79.05492	3.5
81.07058	2.6
85.02898	12.5
91.05479	3.7
93.07013	1.5
95.01336	2.0
95.04961	2.7
95.08622	1.4
97.02859	1.6
103.03942	1.2
103.05490	2.3
105.07040	6.0
107.04948	24.8
107.08566	1.4
109.06517	1.2
111.00757	1.4
113.02373	3.2
115.05458	2.1
117.07050	1.7
119.08611	1.4
121.02834	1.7
121.10109	1.2
123.04395	2.6
129.07013	3.7
131.03401	3.8
131.04898	1.7
131.08585	2.1
133.06491	9.6
135.08055	10.9
137.02335	5.5
137.05966	10.5
139.03862	1.5
141.01826	1.6
145.06477	2.7
147.04448	1.7
147.07991	1.8
148.05180	14.6
148.13605	1.2
149.05936	1.6
151.07504	1.3
153.01790	5.1
153.05472	2.1
157.06447	3.3
159.02858	1.3
159.08035	2.3
161.05952	9.8
162.06802	1.2
163.03944	8.1
163.07542	36.0
165.01843	2.5
165.09099	1.9
167.07033	7.2
174.06737	3.4
175.07562	1.7
177.05496	1.2
178.06258	22.7
181.08522	2.6
183.02934	2.0
186.06804	1.6
187.04045	1.5
187.07581	1.2
189.09042	7.1
193.08601	16.9
201.05444	3.3
201.09120	3.0
203.07047	1.9
208.30255	1.1
211.65063	1.3
213.05365	1.3
215.07127	1.2
219.10172	22.4
223.07442	1.3
225.09106	1.7
227.07011	1.6
227.12852	1.5
229.04958	5.7
247.09752	1.2
253.08592	1.8
257.04495	4.4
271.09671	2.4
274.04761	2.6
283.15408	1.4
285.03693	1.6
302.04169	2.6
303.04987	100.0
304.05093	5.4
317.04001	1.0
317.06668	10.5
317.13895	24.3
361.02301	1.2
393.19162	2.1
419.09872	3.9
435.19904	5.7
478.27853	1.3
479.18924	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	479.1926
Annotation	Scorzodihydrostilbene D
Peak:m/z	Relative Intensity
51.86227	1.9
53.03936	4.2
55.01860	4.1
55.05507	5.4
57.03420	5.3
67.05493	7.8
68.99791	2.0
69.03419	6.4
69.07075	2.7
69.52158	16.2
71.01327	1.8
73.02916	4.0
75.47854	1.9
79.05491	13.8
81.03419	5.7
81.07063	9.2
85.02893	21.4
91.05486	16.5
93.07027	7.0
94.07409	2.1
95.04984	9.8
95.05470	2.1
95.08613	3.9
97.02879	6.0
97.10149	3.6
98.10438	2.0
99.04466	2.0
103.03935	7.2
103.05454	8.5
105.07027	28.0
106.04199	2.1
107.04292	3.6
107.04951	45.6
107.08585	4.8
109.02884	3.3
109.06510	3.2
109.10155	2.7
109.49968	1.8
115.05428	9.7
117.07009	6.7
118.04171	5.2
119.04910	3.0
119.08574	3.4
120.05724	2.5
121.06498	10.6
121.10130	2.2
123.04458	4.4
123.08131	2.1
124.05234	2.8
125.05975	2.8
125.09595	2.1
127.03918	2.7
129.07016	3.5
131.04935	19.3
131.08586	10.2
133.02921	2.1
133.06494	54.2
133.10121	2.7
135.04402	2.9
135.08044	15.2
137.02335	3.4
137.05974	32.4
139.07539	2.7
141.07008	5.2
144.05685	6.3
145.06502	9.2
146.07275	2.1
147.04381	9.1
147.08009	13.4
148.05183	26.4
149.05937	5.1
149.09599	2.9
150.06786	3.3
151.03922	4.5
151.07542	14.9
152.04669	3.7
153.01816	3.1
153.05443	6.5
153.75383	2.1
157.06468	2.1
159.08040	29.2
160.05177	3.4
161.05988	76.7
162.06757	4.4
163.03912	31.8
163.07544	53.2
165.07074	2.0
165.09106	7.0
166.06361	2.2
167.07077	23.3
171.04381	2.4
171.07996	2.5
172.05180	14.4
173.05963	4.5
173.09596	3.4
174.06744	3.9
175.07582	16.6
177.05528	3.8
177.09077	10.6
178.06253	100.0
179.06990	5.3
181.08566	13.9
185.05923	7.0
187.07539	29.6
189.09148	3.0
190.06253	16.4
191.07002	4.5
193.08612	78.6
195.08076	2.0
198.06758	1.9
199.07562	4.1
201.05527	3.8
201.09070	8.1
202.06381	2.4
203.06992	4.5
205.06795	4.1
205.08601	45.0
207.10150	6.2
211.07631	3.3
214.06302	5.2
215.06973	3.5
217.08560	4.4
223.07555	2.6
225.09106	4.7
229.05038	2.5
229.08679	17.0
243.10191	3.5
244.07556	2.8
249.09308	2.6
251.07033	2.5
253.08592	5.4
254.09308	2.4
259.09766	6.5
263.07175	2.5
265.08606	3.6
271.09619	6.7
277.08475	3.6
283.09662	2.6
289.10684	5.2
294.08942	3.2
297.11285	9.0
302.45401	2.0
303.04996	66.0
303.12177	2.9
304.05267	4.0
307.11823	4.8
309.11249	6.0
312.09805	2.3
317.13858	21.5
325.12762	4.0
327.12350	5.5
329.13852	27.8
339.12369	4.5
341.13898	26.4
349.10733	2.7
353.13708	6.8
359.14871	32.9
369.23425	3.1
383.14850	18.9
387.24319	2.8
395.14951	6.8
407.14841	3.4
425.15936	7.1
435.15967	2.7
443.16959	3.4
461.17865	2.6
461.28302	5.6
479.14807	6.3
479.29535	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86227	1.9
53.03936	4.2
55.01860	4.1
55.05507	5.4
57.03420	5.3
67.05493	7.8
68.99791	2.0
69.03419	6.4
69.07075	2.7
69.52158	16.2
71.01327	1.8
73.02916	4.0
75.47854	1.9
79.05491	13.8
81.03419	5.7
81.07063	9.2
85.02893	21.4
91.05486	16.5
93.07027	7.0
94.07409	2.1
95.04984	9.8
95.05470	2.1
95.08613	3.9
97.02879	6.0
97.10149	3.6
98.10438	2.0
99.04466	2.0
103.03935	7.2
103.05454	8.5
105.07027	28.0
106.04199	2.1
107.04292	3.6
107.04951	45.6
107.08585	4.8
109.02884	3.3
109.06510	3.2
109.10155	2.7
109.49968	1.8
115.05428	9.7
117.07009	6.7
118.04171	5.2
119.04910	3.0
119.08574	3.4
120.05724	2.5
121.06498	10.6
121.10130	2.2
123.04458	4.4
123.08131	2.1
124.05234	2.8
125.05975	2.8
125.09595	2.1
127.03918	2.7
129.07016	3.5
131.04935	19.3
131.08586	10.2
133.02921	2.1
133.06494	54.2
133.10121	2.7
135.04402	2.9
135.08044	15.2
137.02335	3.4
137.05974	32.4
139.07539	2.7
141.07008	5.2
144.05685	6.3
145.06502	9.2
146.07275	2.1
147.04381	9.1
147.08009	13.4
148.05183	26.4
149.05937	5.1
149.09599	2.9
150.06786	3.3
151.03922	4.5
151.07542	14.9
152.04669	3.7
153.01816	3.1
153.05443	6.5
153.75383	2.1
157.06468	2.1
159.08040	29.2
160.05177	3.4
161.05988	76.7
162.06757	4.4
163.03912	31.8
163.07544	53.2
165.07074	2.0
165.09106	7.0
166.06361	2.2
167.07077	23.3
171.04381	2.4
171.07996	2.5
172.05180	14.4
173.05963	4.5
173.09596	3.4
174.06744	3.9
175.07582	16.6
177.05528	3.8
177.09077	10.6
178.06253	100.0
179.06990	5.3
181.08566	13.9
185.05923	7.0
187.07539	29.6
189.09148	3.0
190.06253	16.4
191.07002	4.5
193.08612	78.6
195.08076	2.0
198.06758	1.9
199.07562	4.1
201.05527	3.8
201.09070	8.1
202.06381	2.4
203.06992	4.5
205.06795	4.1
205.08601	45.0
207.10150	6.2
211.07631	3.3
214.06302	5.2
215.06973	3.5
217.08560	4.4
223.07555	2.6
225.09106	4.7
229.05038	2.5
229.08679	17.0
243.10191	3.5
244.07556	2.8
249.09308	2.6
251.07033	2.5
253.08592	5.4
254.09308	2.4
259.09766	6.5
263.07175	2.5
265.08606	3.6
271.09619	6.7
277.08475	3.6
283.09662	2.6
289.10684	5.2
294.08942	3.2
297.11285	9.0
302.45401	2.0
303.04996	66.0
303.12177	2.9
304.05267	4.0
307.11823	4.8
309.11249	6.0
312.09805	2.3
317.13858	21.5
325.12762	4.0
327.12350	5.5
329.13852	27.8
339.12369	4.5
341.13898	26.4
349.10733	2.7
353.13708	6.8
359.14871	32.9
369.23425	3.1
383.14850	18.9
387.24319	2.8
395.14951	6.8
407.14841	3.4
425.15936	7.1
435.15967	2.7
443.16959	3.4
461.17865	2.6
461.28302	5.6
479.14807	6.3
479.29535	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
66.10233	3.4
67.05484	5.8
69.03418	12.3
69.27029	21.4
69.27454	24.0
71.04973	4.8
78.79518	3.6
79.05475	9.6
81.03411	16.0
81.07056	12.6
83.04990	5.7
85.02927	7.9
91.05488	5.2
93.07030	5.7
95.08614	15.7
97.02885	8.0
100.10036	4.2
105.07002	9.7
109.02882	10.6
109.10209	3.6
111.04453	7.6
121.10130	20.4
123.04422	5.2
127.03924	15.3
137.02356	5.2
137.05965	16.0
147.04408	4.9
151.07545	19.8
158.89693	3.8
167.06876	4.2
231.13786	18.6
245.06230	6.8
256.03748	7.3
271.06018	37.8
289.05325	56.2
299.05518	5.3
303.04910	23.2
312.34625	5.2
325.69513	4.0
433.19684	4.7
435.19736	7.7
449.12173	5.5
479.13138	28.6
479.18845	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	8.6
59.35162	7.9
67.05507	23.8
68.84611	7.2
69.07057	8.2
70.57054	9.1
71.58944	9.9
73.06508	6.6
79.05489	28.0
81.07071	16.6
85.02885	8.5
90.52709	6.2
91.05487	16.8
93.07043	26.1
95.08598	10.6
103.05455	19.9
105.03388	10.3
105.06998	14.9
107.04965	22.7
107.08607	11.5
111.13113	7.0
119.05013	9.0
129.06963	6.7
131.04916	70.0
132.05730	52.6
137.02332	21.1
137.05984	14.1
148.05241	8.8
157.06473	11.3
160.05217	23.6
161.05968	9.0
163.07570	10.6
167.07071	54.8
177.05438	24.3
185.05975	9.9
191.07054	58.8
192.07825	100.0
192.09450	12.7
193.08624	11.2
213.05499	49.9
225.05476	21.6
241.04964	59.2
253.04936	9.7
269.04446	71.0
276.61371	8.5
279.06522	8.1
295.05991	38.4
299.09225	11.6
303.05002	41.8
303.20496	7.0
307.06012	57.8
351.23175	9.8
423.93521	8.4
449.12228	8.8
461.12338	28.1
479.13412	20.5
479.29779	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	479.1352
Annotation	Phelligridin F
Peak:m/z	Relative Intensity
53.03924	1.1
55.01844	1.7
55.05510	4.6
56.05820	0.4
57.03408	1.3
65.03926	1.0
67.05182	0.5
67.05502	6.6
68.05813	0.5
68.99786	0.7
69.03416	0.9
69.07056	2.0
71.01330	0.4
71.04681	0.7
71.05012	0.5
73.02885	0.9
78.04696	0.5
79.05050	0.5
79.05486	5.8
80.05811	0.7
81.03426	2.4
81.07054	8.6
83.04959	1.2
83.08626	2.7
84.08949	0.6
85.02876	2.9
85.06531	0.4
91.04967	0.6
91.05479	6.8
93.03408	0.6
93.06554	0.5
93.07047	4.8
94.07394	0.4
95.01344	0.6
95.04979	3.4
95.08606	2.7
96.05289	0.4
97.02877	0.5
97.06528	0.9
97.10164	2.0
98.10447	0.6
99.08101	0.4
102.04679	0.5
103.05460	5.2
105.03420	0.4
105.07032	5.0
106.04150	0.5
107.04945	2.7
107.08578	2.9
108.08947	0.4
109.06484	1.6
109.10136	1.3
111.00764	0.5
111.08083	0.5
113.02347	0.7
115.05411	0.9
117.03348	0.6
117.07041	1.9
118.04144	2.9
119.04910	0.5
119.08579	2.6
121.06493	2.9
121.10136	2.0
123.04379	1.0
123.08030	0.8
123.11692	1.2
125.09599	1.6
126.09994	0.4
128.06209	0.6
129.06990	1.5
129.60707	0.4
130.04123	2.3
131.03445	0.8
131.04935	5.2
131.08525	2.6
132.05692	1.4
133.02866	1.0
133.06448	1.3
133.10089	1.3
134.03593	0.5
135.04408	1.7
135.08035	1.4
135.11662	0.6
137.02330	7.8
137.05937	0.7
137.09599	0.4
139.03883	0.4
140.04671	1.4
141.06903	0.4
143.08516	1.0
145.06438	1.5
145.10089	1.2
146.03607	2.4
146.06848	0.6
147.04427	1.8
147.08008	1.4
147.11678	3.8
148.05133	1.4
149.02274	0.5
149.05943	1.1
149.09625	0.8
149.13254	0.6
151.03879	0.9
153.01826	1.8
153.05482	0.6
154.06261	0.5
155.03394	1.0
155.08559	0.5
157.06500	1.2
157.10092	1.2
158.10391	0.4
159.04462	0.6
159.11679	1.0
160.05136	1.0
161.02307	0.8
161.05954	1.4
162.03099	0.9
163.03871	1.3
165.01822	0.8
165.09129	0.7
165.12750	1.8
166.06265	0.7
167.07001	1.8
169.06477	0.4
169.10118	0.5
173.05971	0.7
175.03864	0.5
175.11201	0.9
176.04678	3.1
177.05467	2.0
177.12682	0.5
178.06210	2.8
181.04697	0.4
183.04347	0.4
185.05966	0.4
185.13327	0.7
187.03911	6.1
189.11252	0.7
190.11652	0.6
191.07021	6.3
192.07860	1.1
193.04924	0.4
193.12216	1.2
195.13692	0.4
197.05951	0.8
201.05449	0.5
211.13313	0.9
213.05463	8.8
213.12718	0.4
219.13670	0.8
220.77405	0.4
223.03961	0.6
225.05524	0.7
226.06245	13.8
229.04964	1.5
233.15353	0.5
237.05467	2.3
239.03404	0.5
240.07828	0.4
241.04948	65.2
242.05719	20.3
242.08246	0.7
243.06540	0.5
243.15843	0.4
253.04970	3.1
254.05646	1.8
255.06563	2.9
257.04599	0.7
267.06583	0.8
267.15921	0.7
269.04437	11.3
270.05222	32.4
271.06006	27.9
272.06494	0.4
274.15176	0.5
281.04443	6.0
283.06104	2.5
284.06760	1.7
285.04242	0.5
285.07489	0.5
299.05536	1.5
299.08896	0.6
303.04993	26.9
304.05338	0.8
311.05646	2.2
325.07025	2.3
327.09988	0.6
341.24756	0.5
343.09729	0.6
350.22028	0.4
351.23019	0.8
358.24863	0.6
359.25369	0.5
368.22992	1.1
369.23941	1.9
371.09009	0.5
372.09805	0.5
386.24036	2.1
387.24930	3.5
400.09308	0.8
403.08023	1.3
405.25955	0.8
415.07919	0.4
417.09851	0.6
417.25186	0.4
428.08963	0.5
431.07751	1.1
443.27371	1.0
445.09201	0.7
446.09909	0.9
449.12314	6.1
460.27417	0.8
461.12341	27.9
461.28677	2.8
478.28183	0.6
479.13358	100.0
479.28635	2.4
480.14047	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
54.71328	1.5
55.81030	1.4
56.97503	1.3
65.03946	1.3
66.36033	1.4
67.05518	1.8
68.99785	1.9
70.98721	2.1
70.99072	2.9
71.83458	1.5
78.04725	2.0
79.05500	5.4
81.03416	8.5
81.07057	3.7
85.02900	3.1
91.05496	3.2
93.07052	1.6
95.04954	3.7
95.08584	1.8
97.02910	2.4
103.05472	4.6
105.03337	1.5
105.06999	1.8
107.04932	12.1
109.06506	1.6
115.05507	1.6
118.04172	2.7
121.06506	1.9
123.04425	7.9
127.03954	1.8
130.04068	2.2
131.04935	10.1
132.05740	5.1
135.04463	1.7
137.02336	100.0
137.05925	1.9
139.03998	1.4
145.06578	1.6
145.10031	1.4
147.04388	5.5
148.05202	2.0
152.04700	2.2
153.01859	4.6
153.05492	1.8
157.06506	1.7
160.05264	1.4
161.05911	1.7
163.03877	2.9
163.07642	1.8
165.07014	4.5
166.07976	1.6
167.07047	36.5
167.08398	1.9
171.04362	2.1
176.04689	2.7
177.05531	2.5
177.06985	2.0
177.16376	2.7
178.16751	1.6
178.18283	1.4
180.07945	1.5
181.06503	3.0
185.06010	2.1
187.03902	2.6
191.07039	14.3
192.07787	6.0
194.07259	1.7
195.06506	3.3
195.08078	1.9
197.06001	2.8
199.08066	1.4
199.13194	1.4
205.06468	8.1
206.07295	2.5
209.06010	2.0
209.89282	1.4
213.05521	6.3
216.56734	1.4
218.07309	1.7
219.08037	2.5
221.05969	11.8
222.06804	1.9
223.07561	3.8
225.05515	2.1
227.06862	1.6
233.05960	4.1
235.07538	1.8
236.04715	1.7
237.05487	5.8
238.06354	2.0
239.06819	6.6
241.04916	11.8
243.06682	1.7
249.05446	9.7
250.06253	5.8
251.07088	8.5
252.04178	1.6
253.05003	1.7
255.06339	1.9
261.05499	5.7
262.06232	3.3
263.06848	2.0
265.04968	2.9
266.05704	1.6
267.06537	3.5
269.04572	6.6
271.06128	4.6
277.05054	8.3
278.05737	4.1
279.06445	12.6
280.07059	2.1
285.09128	2.7
293.05231	1.6
293.07932	7.6
295.05957	41.4
296.06686	1.8
297.08118	1.5
299.09113	4.1
303.04962	8.2
307.05984	26.6
311.09164	4.3
312.07574	1.8
313.08661	4.8
323.06964	1.8
325.07666	2.4
328.07306	1.5
329.08112	2.9
339.06354	1.8
340.07336	2.0
341.07919	7.4
342.91455	1.5
351.08667	3.6
353.07953	1.7
355.09692	2.0
357.07529	4.8
358.08475	2.7
367.06015	2.1
368.06750	4.1
369.07715	7.6
371.09174	2.3
381.07587	3.6
383.09332	2.6
385.06967	3.4
386.07867	2.5
396.06296	3.3
397.07056	16.5
399.08582	4.1
400.09894	2.1
401.10281	4.9
411.08691	5.8
413.06119	2.9
414.07214	2.6
429.09744	45.1
433.12811	3.1
446.10181	2.1
449.12314	72.9
461.12357	62.8
461.17288	1.1
462.12802	2.5
479.13568	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	479.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05243	3.2
55.38098	2.9
69.89483	2.9
70.83360	10.3
73.82228	3.3
79.05511	6.2
91.05476	6.0
95.04989	3.7
103.05476	19.1
104.06258	7.0
105.03380	5.2
105.07006	5.8
107.04944	13.6
118.04142	6.7
129.06932	4.1
130.04150	3.1
131.04924	60.4
131.98106	2.9
132.05713	57.6
133.06523	3.8
137.02296	15.0
139.05380	4.0
140.62514	3.1
147.04419	7.8
148.05215	10.8
149.05991	11.7
156.25085	3.6
157.06520	7.7
160.05173	24.2
161.05922	6.4
163.07536	10.2
167.07072	53.3
177.05467	23.4
179.07019	6.6
185.05991	13.3
191.07027	56.5
191.08597	5.9
192.07808	100.0
193.08495	5.8
197.05969	9.3
213.05458	55.4
223.07362	4.5
225.05473	13.6
237.05444	4.3
239.07008	4.2
241.04948	78.2
251.06956	7.0
253.04950	8.4
267.06516	3.7
269.04440	80.3
269.07233	6.6
279.06570	10.5
295.05991	42.6
301.07275	3.7
303.04749	5.2
307.05991	64.0
417.80460	3.3
429.09409	4.2
449.12219	13.1
461.12213	30.9
479.13211	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	479.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	0.8
59.83255	0.7
67.05506	0.9
70.12942	1.6
70.13354	3.0
72.63185	0.7
79.05507	1.5
80.69051	0.8
81.03432	0.9
81.07044	2.3
83.42710	0.7
85.92236	0.8
89.03919	2.3
91.05480	6.1
95.08601	0.9
99.89342	0.7
103.05447	1.7
105.06988	2.0
110.60996	0.8
113.61797	0.9
117.03352	3.0
118.04176	1.9
118.34534	0.7
119.04943	2.7
123.00774	2.1
131.04900	3.7
131.08569	0.9
134.03644	4.4
137.02350	1.0
137.05997	2.3
144.05675	1.3
145.02814	3.8
145.06522	0.8
146.03639	7.4
147.04408	3.2
148.05170	1.8
149.05980	1.0
152.00998	1.6
153.01826	2.6
155.04904	7.4
161.05975	6.6
162.06741	0.9
165.09096	1.6
168.05670	1.0
170.02151	2.3
171.04404	1.1
172.05241	1.0
177.05507	1.3
183.04417	6.1
184.05257	1.9
185.05984	1.5
187.07523	2.0
200.04672	2.1
201.05478	1.0
211.03894	5.1
212.04631	2.1
213.05415	1.9
225.05508	1.9
228.04210	2.9
229.04916	1.2
230.05772	1.2
239.03366	5.9
240.04193	1.5
241.04929	3.5
243.06392	1.3
245.08142	1.6
255.02965	1.2
256.03641	12.0
256.07309	1.6
267.02811	0.8
269.04446	3.5
271.06000	100.0
272.06516	1.3
284.06815	1.3
285.03986	1.4
286.04764	4.2
295.05948	1.1
297.07492	1.5
299.05496	41.5
300.06299	14.7
301.07056	20.3
303.04990	5.2
341.06406	1.0
446.09924	1.2
449.12195	7.4
461.12299	51.3
462.12973	1.3
479.13324	74.7
480.13672	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1185
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
52.31842	0.6
55.01854	0.8
57.03407	0.9
61.02897	1.1
65.03960	0.6
69.03432	3.8
69.99249	2.7
73.02883	0.8
73.70975	0.5
78.38353	0.5
79.31702	0.5
79.64744	0.6
81.03405	1.5
85.02898	10.6
92.02638	1.2
93.03421	0.9
97.02907	3.0
98.52052	0.6
109.02879	1.0
121.02844	1.1
127.03912	1.6
131.30946	0.6
139.03885	0.6
145.04933	1.4
153.01826	7.8
160.81052	0.6
165.01784	1.2
201.05507	0.8
217.05014	1.3
228.04198	1.9
229.04938	3.2
231.02881	0.7
245.04414	1.6
246.05251	1.8
257.04462	2.8
273.03961	2.0
274.04715	3.4
284.03378	0.6
285.04010	3.7
302.04224	11.8
303.04993	4.6
317.06558	100.0
318.07010	3.2
470.19339	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.3
55.01874	1.8
65.03953	1.3
67.05492	2.4
68.99799	1.4
69.78310	1.9
69.78714	3.2
71.08656	0.9
75.04485	0.9
75.37793	0.9
78.04712	2.6
79.05486	5.9
79.44199	0.9
81.03396	1.4
81.07065	4.3
89.03902	2.0
90.04730	1.1
91.05476	10.6
93.03404	2.8
93.07037	3.1
95.04965	5.9
98.21516	1.0
102.04700	1.7
103.05461	11.4
104.06223	2.9
105.03383	6.2
105.04498	1.2
105.07032	12.0
106.04189	6.1
107.04944	13.9
109.06497	1.9
111.04436	1.3
115.05455	6.7
117.03369	3.2
117.07026	1.2
118.04154	3.3
119.04920	3.7
121.02876	0.9
121.06499	10.5
123.04430	3.4
124.05204	1.1
125.06010	2.2
128.06224	2.4
129.06992	3.6
130.04126	3.2
131.04921	26.5
131.08554	1.0
132.05710	23.5
133.02841	3.0
133.06493	9.6
134.03653	1.3
135.04402	5.6
137.02339	19.1
137.05978	4.5
139.03883	1.1
139.05429	2.1
141.07022	4.5
145.02827	1.6
146.03645	1.9
147.04395	8.0
148.05167	2.4
149.02359	1.6
149.05992	13.4
151.03841	1.9
151.07562	2.3
153.06979	1.7
153.09134	3.0
154.06152	2.5
157.06474	12.7
159.04408	1.7
160.05212	6.0
161.04613	1.8
161.05972	32.2
162.06738	3.1
163.03928	4.8
163.07593	2.7
164.04681	1.8
165.05470	4.4
165.06822	1.6
166.06282	1.9
167.07039	34.7
169.06503	2.6
171.04410	2.3
177.05476	16.5
177.06973	0.8
177.55231	0.9
178.06192	1.3
179.07021	4.5
180.07828	5.1
181.06546	2.8
181.08556	8.2
182.09402	9.3
183.07996	1.9
184.05110	1.0
185.05968	17.4
191.06981	8.3
192.06306	0.7
192.07813	20.9
193.08594	34.1
194.07236	1.0
197.05972	15.9
199.03932	2.1
207.06702	1.1
209.06055	3.1
209.08058	24.9
210.08852	11.8
211.07520	2.5
211.09535	1.3
213.05460	65.4
214.05923	1.3
215.06926	1.9
221.05971	2.7
223.07611	2.0
224.04689	1.8
225.05443	14.0
226.06133	1.1
233.06053	1.3
237.05382	8.7
239.06966	7.0
240.04250	0.9
241.04939	99.7
242.05403	1.6
250.06209	3.0
251.07065	3.8
252.04218	2.2
253.04982	8.3
255.06592	1.1
265.04993	1.3
267.06525	5.7
268.03732	1.2
269.04437	100.0
270.04926	3.0
271.05981	5.0
277.04990	1.3
278.05820	1.8
279.06528	3.9
280.07336	1.1
281.04514	8.0
290.05814	1.0
291.06610	1.2
293.08307	1.0
295.05994	75.1
296.06351	1.0
303.05029	5.8
306.05121	1.3
307.05969	19.9
325.07065	6.9
329.07828	1.6
340.07294	1.3
341.08173	1.8
357.07800	1.4
368.07080	1.2
369.07648	1.5
384.05655	0.9
397.06833	1.0
399.08426	1.2
401.10425	1.4
429.09656	17.8
431.11511	1.2
449.12369	13.1
461.12259	8.6
479.13361	53.2
479.18829	2.7
480.13669	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	479.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03424	0.4
57.03424	0.8
61.02921	6.7
63.06604	0.4
69.03419	1.7
71.04648	1.1
73.02921	1.9
81.03413	0.8
85.02907	6.5
90.45036	0.4
91.03962	3.6
92.02637	1.2
93.03387	0.8
97.02883	3.0
103.05501	0.4
111.00817	0.5
115.03946	0.4
120.08080	0.5
121.02866	1.2
125.09650	0.4
126.03091	0.5
127.03941	0.5
134.75922	0.4
137.02362	0.7
137.05980	0.5
139.03941	1.3
145.04901	0.5
151.03963	0.8
153.01823	9.4
165.01776	0.7
177.05447	0.6
200.04778	0.6
201.05296	0.4
203.03294	0.9
217.05009	1.4
218.05716	1.2
228.04111	2.1
229.04991	4.9
245.04402	2.0
246.05232	1.9
257.04391	3.1
273.03922	1.8
274.04761	5.1
285.03894	5.0
302.04214	13.2
302.07556	0.9
303.04990	12.0
303.08383	0.9
304.05261	0.7
317.06552	100.0
318.06927	2.8
329.06891	0.6
383.07150	0.5
437.99622	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1184
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
52.80222	0.2
53.03940	0.3
55.01864	0.3
57.03437	0.3
61.02918	0.4
67.05488	1.0
69.03427	1.5
69.07048	0.4
70.06534	0.4
70.06793	0.7
71.04971	0.9
72.08135	0.6
79.05475	0.7
81.03384	0.9
81.07044	0.7
84.04503	0.3
85.02906	3.3
85.06543	0.5
86.09697	1.0
91.05463	0.5
93.07034	0.5
95.04936	0.3
95.08586	0.6
97.02878	1.1
98.20759	0.4
105.07031	0.6
107.04988	0.5
109.02879	0.5
109.10156	0.5
110.03643	0.6
110.07144	0.3
117.07017	0.4
119.04897	0.3
119.08595	0.4
120.08108	0.6
120.18351	0.3
121.02824	0.4
121.10134	0.5
123.04437	0.3
127.03911	0.9
133.06439	0.3
137.02350	2.0
137.06059	0.3
139.03827	0.3
145.04950	0.5
145.10077	0.4
149.02353	0.3
153.01817	2.6
167.03410	0.3
171.11668	0.3
200.04613	0.6
203.03426	0.4
204.04210	0.6
215.07182	0.3
217.05026	0.3
225.05856	0.3
228.04170	2.6
229.04939	1.5
239.03778	0.3
241.44897	0.2
243.06537	0.3
245.04460	1.2
256.03683	0.7
257.04462	1.3
273.03976	0.7
274.04712	3.9
285.03891	1.3
301.03415	9.4
302.04199	26.5
303.04831	1.8
315.08301	0.3
317.06540	100.0
318.06851	1.8
384.46283	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1182
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
55.01839	0.3
56.96546	0.4
57.03377	0.3
65.75348	0.2
66.19202	0.2
67.05459	0.4
69.03408	0.6
70.06567	0.7
70.51957	0.3
70.52316	0.9
72.08086	0.2
73.02898	0.2
76.02190	0.3
81.03378	0.8
81.07040	0.4
83.04969	0.3
85.02914	2.0
86.09663	0.8
87.00824	0.4
91.05417	0.3
93.07002	0.3
98.97538	0.7
107.04951	1.7
109.02828	0.5
113.02333	0.3
116.98586	0.5
119.08556	0.3
120.08075	0.3
123.04401	0.2
125.93674	0.3
127.03864	0.9
131.03345	0.3
133.06448	0.6
137.02315	0.6
137.05959	0.4
153.01814	2.0
161.01190	0.5
161.05945	0.3
163.03882	0.3
169.06946	0.3
191.03351	0.4
193.06374	0.5
228.04224	0.3
229.04968	0.9
231.06401	0.3
237.02715	0.4
257.04385	0.9
271.05911	0.6
273.03836	0.3
274.04709	20.9
275.04944	0.3
285.03836	0.3
289.14816	0.3
299.05130	0.3
302.04205	33.6
303.04971	11.0
303.07748	0.2
304.05524	0.5
307.10559	2.0
317.06549	100.0
318.06903	1.9
349.11646	0.6
413.36520	0.3
479.12012	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.4
54.25128	1.8
55.01871	3.6
55.05507	2.8
57.03424	6.3
61.02921	3.8
67.05505	3.2
68.99776	6.5
69.03432	46.3
69.07037	2.3
69.51740	13.6
70.02287	1.4
71.04986	10.0
79.05488	3.0
81.03418	54.2
81.07042	4.8
83.04985	7.3
84.07026	1.5
85.02901	59.6
87.00823	12.2
91.05505	1.7
93.07020	2.0
95.04977	5.1
95.08617	3.7
97.02885	19.4
99.04454	19.2
103.03911	1.6
105.01878	6.3
105.07051	2.4
107.04958	2.5
109.02879	42.7
111.04432	5.7
115.03928	1.6
123.04436	2.1
127.03913	100.0
129.01840	5.0
129.39030	1.6
137.06047	1.4
139.03923	1.9
145.04962	4.7
147.02864	2.0
149.02336	1.5
151.03899	1.6
159.02864	1.9
169.05009	3.0
171.02805	1.6
187.06013	3.9
189.03911	6.0
213.03952	12.1
218.17673	1.9
231.04988	9.1
255.05075	2.0
273.06058	3.1
303.04950	6.8
461.08957	13.5
479.13171	3.1
483.74222	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.9
68.88309	0.5
68.99773	1.5
70.64753	2.0
71.01344	2.0
73.02916	3.5
85.02903	10.1
89.46320	0.5
95.01326	1.7
97.02876	0.6
99.00782	0.8
109.02867	1.0
111.00791	1.7
113.02357	3.9
118.07335	0.6
121.02863	0.8
131.03406	2.7
132.65800	0.5
137.02338	3.6
141.01823	1.7
153.01808	4.9
159.02898	1.8
163.03856	1.4
165.01810	2.4
183.02901	1.1
187.04100	0.8
201.05431	2.4
229.04941	6.3
247.05920	0.7
257.04541	3.7
272.16260	0.7
274.04752	0.7
285.03873	1.8
303.04971	100.0
304.05328	3.7
493.98346	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	10.6
55.01869	6.1
55.05495	5.0
57.03432	5.5
61.02927	3.5
68.99780	6.1
69.03083	3.0
69.03429	43.4
69.51446	19.2
71.04982	8.3
73.02917	3.3
79.05486	2.8
81.03416	54.1
83.04980	13.3
84.04498	3.1
85.02428	4.4
85.02903	59.5
87.00832	20.0
87.75668	2.3
91.05512	3.4
95.04951	4.5
97.02882	16.2
98.21480	5.0
99.04462	20.3
100.11234	3.5
103.03961	2.9
105.01853	6.0
109.02872	47.7
111.04437	9.1
115.97203	2.2
120.50877	2.6
123.04420	3.4
123.81328	2.5
125.02359	5.6
127.03915	100.0
129.16336	2.4
137.05873	2.4
139.03871	2.8
141.05447	2.7
145.04977	5.7
147.02859	2.9
147.04401	2.9
151.03883	4.7
154.12294	3.7
161.05972	2.3
161.38358	2.2
169.04980	8.7
171.02795	3.1
187.05989	6.5
189.03937	9.1
197.51566	2.3
201.79112	2.5
213.03929	10.0
231.05005	10.3
232.65720	2.3
273.06113	6.6
303.04855	3.7
339.06757	3.3
443.07440	2.9
461.09189	9.2
479.36066	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	479.0817
Annotation	Quercetin-3-Glucuronide
Peak:m/z	Relative Intensity
55.01878	0.3
57.03424	1.1
68.99780	1.1
69.03422	0.6
69.62923	2.3
71.01357	2.0
73.02925	3.0
77.73602	0.3
80.43051	0.3
85.02905	9.6
93.03403	0.4
95.01308	1.1
95.04986	0.4
97.02889	0.7
99.00794	0.5
101.02365	0.4
103.03947	0.6
109.02905	0.6
111.00792	1.4
113.02365	3.9
121.02898	1.0
123.04424	0.4
131.03404	2.5
135.04454	0.4
137.02324	4.1
140.49399	0.3
141.01799	1.4
145.06483	0.4
153.01830	5.3
154.85094	0.4
159.02875	2.2
161.05894	0.3
163.03865	0.8
165.01855	2.5
173.05956	0.7
175.66298	0.3
183.02910	0.9
183.04419	0.5
201.05470	2.0
202.05733	0.3
205.04990	0.4
219.06430	0.4
229.04977	5.6
237.50688	0.3
239.03484	0.4
247.06015	0.6
257.04453	2.9
274.04773	1.0
285.03970	1.8
303.04996	100.0
304.05347	2.5
345.06155	0.4
369.05914	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.05509	13.0
57.03430	8.1
57.07073	2.2
63.42433	1.0
67.05502	29.4
69.07068	16.9
69.94482	7.0
79.05495	8.4
81.07056	27.8
83.08627	7.2
85.06544	1.8
91.05466	4.5
93.07031	5.7
95.08604	21.9
97.06519	1.8
97.10150	4.6
98.21419	2.2
102.76170	1.0
105.07036	4.4
107.08561	3.4
109.10171	7.1
115.99197	1.0
119.08562	2.5
121.10136	3.1
123.11658	2.5
133.10136	2.4
147.11671	1.5
177.54858	1.1
256.13040	1.3
263.23749	1.6
297.08972	1.0
305.50494	1.2
306.27859	2.1
337.27359	100.0
338.27686	4.3
339.01471	1.1
387.11169	1.1
416.23557	1.2
429.03210	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2927
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.05500	10.6
57.03426	6.8
57.92599	2.6
61.39107	2.9
62.06090	37.8
67.05503	28.4
69.07058	11.2
71.16622	7.4
73.42767	3.2
75.63371	3.0
79.05477	6.8
81.07060	26.1
83.08614	6.8
93.07047	6.7
95.08616	21.6
97.10195	5.1
98.98456	12.2
105.06988	3.5
109.10159	11.8
113.37911	3.2
121.10112	3.5
155.01071	5.5
162.12103	3.1
181.31970	2.8
185.68031	3.0
263.23730	7.8
264.42911	3.0
306.27951	10.2
335.36920	3.6
337.27371	100.0
464.20413	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	478.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
55.01865	0.5
56.05026	0.5
56.96555	1.9
57.03431	0.8
57.11596	0.5
61.02928	1.0
69.03422	2.4
70.21243	2.4
73.02918	0.8
77.42641	0.5
81.03390	1.6
83.06073	0.6
84.08139	1.3
85.02909	5.8
86.09680	0.8
87.04433	0.6
91.05475	4.9
93.07032	5.0
95.04958	1.2
95.06084	0.5
97.02907	2.9
98.21176	1.1
98.97610	2.9
103.05449	4.1
103.57466	0.5
109.02858	0.8
110.07157	5.2
116.98611	3.0
119.04893	0.7
121.06503	100.0
122.06824	2.0
123.04424	1.1
127.03900	2.1
128.98616	1.0
134.99654	2.1
135.54950	0.5
137.05952	1.8
138.09140	27.9
145.04938	1.1
146.99666	0.8
147.04437	0.9
156.07700	6.7
158.99628	1.1
161.07091	3.2
165.00600	0.6
171.03030	0.6
177.00696	2.1
191.08221	1.3
214.89481	0.6
219.01840	1.5
237.02792	4.0
295.12903	0.8
305.11444	0.8
309.08640	1.1
323.12399	3.6
377.37106	0.5
461.09497	1.5
478.19009	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95117	1.1
56.96563	16.4
69.60041	1.2
71.57100	1.3
73.98046	1.1
78.13668	1.2
79.32036	1.2
84.08137	1.5
84.96041	2.6
85.02922	2.9
97.02869	1.6
97.79564	1.1
98.97587	42.3
110.07164	4.0
110.97575	2.7
116.98615	36.7
120.50771	1.2
121.06519	3.2
128.98570	9.2
131.00198	1.6
134.99657	21.7
137.06006	1.7
138.09132	1.3
140.00200	1.4
143.00131	2.2
144.98022	2.2
145.01726	2.9
146.99652	8.6
147.03290	4.5
147.04369	1.4
149.01265	2.3
153.00659	3.0
156.07703	7.4
158.99658	19.1
161.01253	4.0
161.02992	2.0
161.07153	2.3
162.99187	1.8
163.02792	3.6
165.00694	2.2
165.04329	7.8
170.99634	3.4
175.02684	1.4
177.00708	40.4
184.02937	2.0
189.00740	5.6
189.04312	7.5
191.08208	1.8
195.01773	3.1
200.02338	2.5
200.05943	1.2
207.05405	4.9
208.02811	2.2
219.01750	12.1
226.03856	17.9
231.05521	3.1
237.02818	38.1
244.04922	28.9
249.06445	1.9
249.81859	1.3
255.03804	4.1
260.04395	2.6
262.06003	6.3
268.04877	1.8
286.05936	1.9
291.07480	29.0
309.08563	100.0
310.08917	3.4
323.12476	2.2
332.10056	8.2
460.14938	62.6
461.15350	3.5
478.15909	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	478.192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76876	1.0
51.89482	1.0
53.03944	2.1
53.68592	1.1
55.01864	3.5
57.03448	5.1
57.03692	1.0
57.37049	1.3
61.02925	4.6
68.99793	1.0
69.03429	13.6
69.87221	5.5
71.01359	2.3
71.04994	2.2
71.66075	0.9
73.02908	5.6
81.03408	5.5
83.01338	1.9
85.02905	100.0
85.58821	0.9
87.04465	2.8
88.26463	0.9
91.03961	5.9
95.01327	24.7
95.04971	1.0
97.02888	28.9
97.51936	1.0
98.20721	1.0
99.00851	1.1
99.04451	3.9
99.36992	0.9
101.02394	2.2
103.03945	4.5
103.05473	1.0
105.07047	5.4
107.04964	1.3
109.02850	6.5
113.02367	4.7
117.07002	1.4
123.00790	1.5
123.04438	2.8
127.03916	29.3
131.03416	3.3
131.04918	2.2
133.02867	1.2
137.05983	1.1
141.01823	67.4
145.04958	56.4
145.06165	1.9
147.04402	1.3
149.06000	2.8
159.02893	11.9
159.67119	0.9
163.03912	1.3
163.06018	25.3
163.07378	1.9
167.06975	1.2
169.04967	1.0
177.03928	3.8
177.05420	1.7
185.23491	0.9
191.07057	3.1
199.02216	1.3
219.02795	1.7
237.03955	1.3
261.03717	0.9
262.04236	1.4
278.99426	1.0
303.05124	2.9
304.05408	1.3
317.06570	2.5
321.08167	3.1
333.11227	1.6
340.08633	1.1
385.02612	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	10.0
55.01866	17.6
55.05510	86.3
55.39533	3.7
57.03428	17.3
64.98631	3.6
67.05504	76.0
69.03423	10.7
69.07063	29.3
69.72038	23.3
71.04991	8.0
79.05495	89.7
81.03421	67.4
81.07056	60.8
83.04980	21.9
83.08611	46.0
85.02911	7.5
85.06548	7.9
91.05470	68.0
93.07047	54.4
95.04972	49.8
95.08614	30.1
97.02941	5.9
97.06528	10.3
97.10174	50.9
98.21414	5.3
103.05424	5.0
103.63432	3.8
105.07043	44.0
107.04951	46.7
107.08590	39.9
109.06522	18.0
109.10134	19.2
111.08083	14.2
115.05437	6.3
117.07010	22.8
119.04990	5.2
119.08582	38.2
121.06487	31.0
121.10146	18.1
123.08054	13.3
123.11703	5.9
125.09602	37.6
128.06166	4.7
129.07021	21.8
131.04916	10.4
131.08580	35.0
133.06490	15.5
133.10110	19.6
135.08054	12.0
135.11711	9.4
141.06943	7.5
143.08582	11.6
145.06497	26.4
145.10100	18.5
147.08060	19.2
147.11693	24.3
149.09608	14.7
153.09096	10.4
155.08565	7.0
157.06473	5.9
157.10130	13.7
159.08099	7.6
159.11653	8.7
161.06087	4.5
163.11172	11.7
165.12819	7.4
167.08554	5.9
169.10101	7.5
171.08008	8.1
171.11687	10.8
173.13203	3.8
175.11211	13.9
177.12735	5.8
185.55798	3.8
187.11168	7.8
189.11205	26.6
189.12720	9.2
193.12253	41.7
195.11751	6.5
197.13187	5.0
199.11124	5.4
203.14513	4.9
205.12183	5.5
211.11378	4.7
211.13266	16.6
213.12776	8.3
215.14418	9.1
227.12704	18.3
231.13782	7.3
233.15366	17.8
241.14349	7.4
249.14870	5.3
267.15994	20.2
273.14920	17.6
339.23154	12.9
341.21469	5.4
349.21643	21.0
357.24225	21.7
358.23618	4.5
367.22668	57.6
385.23727	100.0
386.23615	6.0
403.24829	32.4
431.27933	4.4
433.25635	8.8
441.26517	10.5
441.57782	4.8
455.27036	4.4
459.27432	85.9
477.28522	79.5
497.47797	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	477.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.3
53.42009	5.5
55.01857	17.6
55.05508	92.0
57.03434	14.5
67.05502	72.5
69.03421	15.8
69.07056	19.8
70.72044	16.0
71.04985	7.2
79.05489	86.0
81.03424	46.8
81.07050	77.3
83.04962	14.0
83.08630	41.5
86.32165	6.0
91.05485	50.6
93.07052	44.7
95.04966	40.1
95.08617	34.1
97.06523	12.8
97.10162	60.6
105.07045	39.9
107.04962	50.0
107.08602	37.1
109.06522	19.5
109.10143	19.5
111.08085	12.4
117.07013	29.4
119.08571	31.2
121.06513	35.9
121.10135	17.3
123.08096	13.7
125.09608	51.1
128.33702	5.2
129.06987	27.5
131.04926	12.3
131.08580	28.2
133.06468	18.7
133.10138	19.3
135.08000	17.2
137.13390	5.1
141.07013	8.8
142.67317	4.6
143.08568	22.1
145.06474	23.0
145.10126	11.1
147.08073	13.0
147.11671	22.7
149.09601	10.7
153.09096	7.2
155.08571	9.5
157.06517	10.1
157.10123	13.6
159.08072	7.1
159.11720	7.3
161.09608	6.2
163.11212	11.6
169.10135	9.5
171.10239	6.5
171.11635	12.2
173.09541	8.2
173.13181	5.5
175.11165	8.4
183.11693	5.6
185.09616	7.3
185.13271	6.4
187.11194	7.7
189.11200	33.0
193.04681	5.5
193.12213	28.0
199.11136	6.6
205.12271	6.2
211.13326	5.8
213.12764	6.0
227.12816	21.0
233.15343	23.1
241.14346	7.2
245.15472	7.8
267.15958	15.3
273.14832	19.7
275.16339	5.6
281.04123	6.0
287.16336	7.0
321.21912	7.0
339.23169	10.4
349.21600	14.5
357.24249	16.5
367.22699	59.0
385.23712	100.0
403.24701	37.1
459.27350	86.0
477.28342	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1392
Annotation	Kaempferol 7,4'-dimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
51.38484	0.4
55.01855	0.6
57.02893	0.5
67.05487	0.8
68.99772	0.9
69.03439	1.1
71.58643	0.8
83.08620	0.5
85.02890	1.7
91.05459	1.0
93.07051	0.4
95.04952	0.5
96.02075	0.5
97.02879	1.1
107.04924	0.8
111.04411	1.2
119.04938	1.7
120.08086	0.7
121.06493	1.1
123.04465	0.8
127.03928	0.7
135.04478	0.6
136.84184	0.5
137.05952	1.4
139.03905	3.1
148.05194	2.3
149.05972	1.2
151.03871	0.7
151.07530	0.7
152.01039	1.5
163.03928	2.3
163.06987	0.6
167.03387	7.3
175.03906	6.3
184.03665	0.7
199.07587	1.0
212.04697	0.5
226.06320	0.7
227.07036	1.5
230.05840	0.6
240.04175	1.9
242.10107	0.5
243.06653	0.8
244.07307	1.0
254.05696	0.8
255.06468	5.2
256.07321	0.9
257.04437	1.1
259.09686	3.4
272.06845	1.8
282.05234	1.0
283.06042	1.0
287.09149	2.2
297.07367	0.7
300.06253	5.2
301.06854	0.5
315.08612	100.0
316.08896	2.5
322.66891	0.6
391.10815	0.7
450.17981	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.139
Annotation	Scutellarein 7,4'-dimethyl ether 6-glucoside
Peak:m/z	Relative Intensity
70.74640	0.9
83.03310	0.4
115.18093	0.4
118.04160	0.5
134.03644	0.7
137.02330	8.1
138.03050	0.4
146.03636	1.3
147.04399	1.1
149.02344	1.5
153.01781	0.5
153.05476	0.6
158.70969	0.4
158.85928	0.4
159.93109	0.4
162.03148	0.4
163.03908	1.5
164.04666	1.1
175.03830	0.4
181.06538	0.5
187.03931	0.6
189.05434	0.5
197.05972	1.2
198.06757	0.4
200.04649	0.6
201.05623	0.4
212.04648	3.7
213.05461	0.5
215.03374	1.4
225.05476	1.9
226.06247	4.0
227.07080	0.8
229.04941	0.9
230.92989	0.4
236.04678	0.5
237.05447	0.5
240.04164	3.7
253.04976	1.8
254.05730	4.0
255.06546	4.8
256.21481	0.4
257.04498	3.4
265.04947	0.5
267.02856	0.8
268.03745	2.0
269.04434	1.2
271.06070	1.8
281.04556	0.8
282.05231	8.8
282.08176	0.7
283.05975	4.2
283.22659	0.4
285.03931	16.0
299.05426	1.3
300.06284	14.4
300.09793	0.5
315.08612	100.0
316.08957	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.139
Annotation	Scutellarein 7,4'-dimethyl ether 6-glucoside
Peak:m/z	Relative Intensity
57.45779	0.3
59.89153	0.3
65.45190	0.3
67.05487	0.5
68.99780	0.3
69.51918	1.7
69.52327	0.7
79.05448	0.4
81.03393	0.5
81.07021	0.3
83.04975	0.3
85.02911	0.3
90.02027	0.3
91.05470	0.5
93.07032	0.6
96.59384	0.3
96.60006	0.3
101.14044	0.3
105.07019	0.5
107.08543	0.3
109.17127	0.3
109.17986	0.3
131.04929	0.3
132.05721	2.0
132.32741	0.3
133.06470	0.5
135.04372	0.3
140.01042	0.6
144.02199	0.3
168.00529	1.4
186.01598	2.7
229.04988	1.1
241.05026	0.4
243.06465	0.3
254.05765	0.9
257.04453	2.3
269.08038	0.4
270.05463	0.4
271.05914	1.5
272.06802	1.3
282.05164	0.5
285.03934	7.3
291.62613	0.4
299.05502	8.6
300.06277	59.2
301.06653	1.1
302.04117	0.4
313.39774	0.3
315.08615	100.0
316.09158	1.5
459.86435	0.3
477.28873	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1392
Annotation	Kaempferol 7,4'-dimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
63.62786	0.7
69.03418	1.0
69.51797	2.0
69.52209	4.1
81.03410	0.7
81.07026	0.8
85.02885	2.6
91.05460	1.3
97.02856	0.9
97.23785	0.7
97.61815	0.6
107.04942	0.9
107.08546	0.7
111.04455	2.3
119.04955	1.5
120.08054	0.9
120.17556	0.7
121.06519	1.7
121.39821	0.7
131.41660	0.7
137.05983	1.7
139.03879	2.1
148.05186	2.4
149.05983	1.4
151.03960	0.8
152.01044	2.2
163.03885	2.1
163.07481	0.7
167.03412	8.8
170.21846	0.8
175.03915	7.2
199.07620	1.3
227.07060	2.1
230.05798	0.7
240.04190	1.5
254.05760	1.2
255.06589	5.2
256.07104	0.7
257.04407	0.9
259.09695	4.3
272.06772	3.0
277.68198	0.8
282.05292	1.8
283.06009	1.0
287.09183	1.4
300.06287	4.2
315.08615	100.0
316.09000	2.6
320.47592	0.7
391.10516	1.1
455.37155	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1394
Annotation	Scutellarein 7,4'-dimethyl ether 6-glucoside
Peak:m/z	Relative Intensity
52.93059	0.4
57.03431	0.8
61.02914	0.6
65.46432	0.4
65.90123	0.4
67.67339	0.4
69.03452	2.0
70.06586	0.7
70.24290	0.7
70.24687	0.9
81.03413	1.0
81.07024	0.5
85.02913	4.1
91.05458	0.4
92.39056	0.4
97.02888	1.3
105.06999	0.4
107.04965	2.5
108.93762	0.4
109.02887	0.8
121.02901	0.6
123.04414	0.6
127.03902	0.9
134.03656	0.6
137.02333	7.7
137.05995	0.6
138.99873	0.4
146.03604	1.4
147.04396	0.7
149.02341	1.9
153.01768	0.4
153.05476	1.6
163.03952	0.7
164.04680	1.2
167.95590	0.4
171.08025	0.5
183.02937	0.4
184.05238	1.6
187.03922	0.9
189.05490	0.7
196.05193	0.8
197.05962	1.5
198.06865	0.4
199.07576	1.3
200.04745	0.6
201.05403	0.6
211.07599	0.8
212.04662	6.1
213.05397	0.7
215.03374	2.0
224.04762	0.5
225.05463	2.1
226.06252	2.9
227.07008	2.4
229.04906	0.6
234.38535	0.4
237.05466	0.8
239.03419	0.8
239.06955	0.7
240.04170	4.0
241.04851	0.5
253.05017	1.3
254.05736	4.0
255.06529	11.4
257.04471	5.0
259.09686	1.4
265.04947	0.7
267.02924	0.7
268.03613	2.1
269.04465	1.8
271.06042	1.4
272.06754	0.8
281.04538	0.7
282.05228	7.6
283.06039	4.8
285.03925	15.9
287.09167	0.6
299.05569	1.1
300.06274	13.0
301.06934	0.8
315.08615	100.0
316.09012	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85514	2.9
55.05502	9.9
55.72539	2.8
62.06088	33.7
67.05502	29.7
69.07066	9.8
69.47601	26.8
79.05511	19.5
79.05907	3.4
81.07051	25.5
83.08603	3.9
91.05482	10.3
93.07065	23.3
95.04969	4.8
95.08601	21.8
97.10152	3.0
98.98466	7.5
105.07056	5.6
107.08606	12.1
109.10131	8.1
117.06979	3.4
119.08610	6.0
121.10147	12.6
131.08603	3.7
133.10158	3.6
135.11746	3.2
145.10184	5.1
147.11650	4.0
189.46721	3.3
216.06284	6.6
261.22086	7.6
304.26324	9.6
335.25790	100.0
400.50418	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1403
Annotation	Kaempferol 7,4'-dimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
58.69156	0.5
62.45829	0.4
69.03406	0.7
69.98031	2.2
70.06586	0.8
71.04961	0.5
81.03390	0.7
85.02887	1.1
86.09716	0.6
92.86564	0.4
93.78564	0.4
98.20726	0.5
107.04960	0.8
110.35477	0.5
117.50166	0.4
123.04457	0.4
127.03915	0.5
134.03673	0.6
145.10139	0.5
149.79939	0.4
151.03969	0.7
161.19072	0.5
167.03418	3.8
169.01358	0.6
175.03967	0.6
184.03687	3.5
197.54329	0.5
208.87007	0.4
212.04631	1.1
216.07819	0.7
227.06985	1.1
229.04964	1.6
240.04224	2.2
243.06606	2.5
244.07310	2.7
255.06490	2.8
257.04526	0.7
258.05188	0.6
259.09647	1.2
267.02765	0.6
268.03720	1.7
271.06000	1.0
272.06766	2.0
283.06107	3.3
285.04099	0.6
286.04605	0.6
299.05432	3.5
300.06277	20.6
301.07001	2.5
315.08606	100.0
316.09006	2.9
386.02457	0.6
425.58978	0.6
445.26385	0.8
476.32892	15.1
477.33218	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	476.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.5
55.05512	8.7
57.03433	6.6
58.50092	0.9
65.03948	1.5
67.05502	29.1
69.07059	8.9
69.99153	3.8
69.99564	2.6
72.89600	1.0
79.05497	14.7
81.07057	27.1
83.08598	1.4
91.05470	7.5
93.07040	17.0
95.04958	2.1
95.08600	19.1
97.06548	1.9
97.10204	1.3
98.20811	1.4
105.06989	5.2
107.08599	7.2
109.10138	7.5
116.80518	1.1
117.06981	1.4
119.08583	2.6
121.10155	4.3
123.11673	1.8
128.10678	1.2
131.08612	3.2
135.11693	3.2
147.11652	2.1
161.13283	1.7
173.13211	1.4
216.06218	1.1
261.22186	1.1
304.26306	10.7
312.55646	1.2
335.25793	100.0
336.26102	2.7
411.75476	1.1
426.23657	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45758	2.2
55.05516	12.3
57.03422	6.6
57.07071	3.7
62.05784	3.5
62.06086	47.2
67.05501	35.7
69.07050	7.3
69.69358	2.0
69.70497	13.5
75.86172	2.3
79.05489	29.3
81.07053	36.0
83.08614	4.3
83.59212	2.4
84.57545	2.3
91.05489	20.3
93.07043	35.3
95.04955	4.6
95.08597	20.0
98.20837	5.2
98.98467	12.5
105.07041	16.2
107.04942	7.7
107.08586	15.6
109.10152	8.2
117.06989	3.6
118.26989	2.2
119.08567	13.9
121.10142	10.1
123.08044	3.3
123.11728	4.7
131.08566	9.4
133.10136	9.0
134.38741	2.3
135.11674	9.6
142.02545	2.8
145.10086	7.0
147.11655	6.9
149.13269	6.5
151.33215	2.3
155.01027	3.7
159.11751	3.3
161.13277	4.3
166.75291	2.7
173.02097	5.1
175.14827	4.1
177.16516	3.0
198.05356	2.5
198.25792	2.5
216.06294	6.2
216.71976	2.3
243.21002	11.3
257.11829	2.5
261.22104	18.8
275.43118	2.5
281.81665	2.6
304.26385	14.0
317.24619	16.0
329.41196	2.8
335.25784	100.0
336.26401	3.3
340.34073	2.8
354.53415	2.4
398.10785	3.8
398.60596	3.1
415.22418	7.7
416.11963	15.1
434.12970	2.4
458.26508	4.4
476.27124	3.4
476.33179	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	476.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.8
55.05482	1.6
57.03425	2.5
61.02921	1.6
64.41235	1.2
67.05496	3.4
69.03439	10.3
69.07064	1.9
69.26192	15.2
71.04961	2.1
73.02887	2.5
79.05461	1.8
81.03417	6.9
81.07045	3.1
81.65279	1.6
85.02425	2.3
85.02907	28.6
86.91279	1.4
87.00822	13.9
91.05495	3.1
93.07046	2.4
95.08602	5.7
97.02906	10.3
98.20795	3.1
99.04449	2.4
99.08047	1.5
105.01870	21.5
105.07006	1.7
105.22821	1.5
107.08571	2.2
109.02866	9.5
109.10165	13.8
119.08582	5.1
121.10125	2.7
123.08100	2.1
123.11707	2.1
127.03921	20.4
133.10120	5.1
135.11676	11.4
137.09567	3.2
139.90038	1.2
145.05003	8.2
149.13261	2.1
151.11134	2.4
151.14745	1.4
159.02853	1.5
167.03477	1.8
175.14835	9.7
184.03691	1.5
189.03964	1.8
193.15845	8.9
211.16916	8.9
213.03932	1.7
231.05019	4.6
255.06624	1.6
257.13104	1.7
299.09000	1.7
300.06241	6.3
315.08643	24.7
441.20673	1.8
476.30939	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57127	0.5
53.03928	1.5
55.01869	0.7
55.05513	5.7
57.03197	0.6
57.03439	6.0
57.07069	1.5
65.03922	1.4
66.92994	0.5
67.05502	36.1
69.07064	6.1
71.04959	0.9
71.58978	0.9
79.05489	17.6
81.07056	29.9
83.08603	2.9
85.06554	0.9
88.17125	0.5
90.38600	0.5
91.05477	10.6
93.07036	21.4
95.04955	1.9
95.08604	22.2
97.06524	1.2
97.10149	1.9
98.06065	0.9
98.98463	0.7
105.07037	5.9
105.74540	0.5
107.08599	9.6
109.06535	0.7
109.10150	7.3
113.09599	0.7
117.06999	2.4
119.08592	3.8
121.10136	6.0
123.11685	2.4
129.05365	0.6
131.08575	5.9
133.10120	2.3
135.11661	4.4
137.13254	1.2
145.10132	4.0
147.11674	2.9
149.09644	0.7
149.13216	2.5
151.14749	0.6
159.11682	1.8
161.13258	2.1
163.11180	0.5
163.14745	1.5
173.13260	2.0
175.14827	0.8
179.93211	0.5
187.14786	1.3
189.16356	0.7
198.05261	1.1
216.06294	0.6
243.21098	2.2
248.12274	0.6
261.22098	3.0
304.26312	7.2
317.24814	1.7
335.25781	100.0
336.26010	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01855	2.6
55.05505	2.5
57.03443	2.5
61.02913	1.6
61.28985	1.7
67.05490	3.4
69.03424	15.0
69.07066	3.3
71.04985	2.9
71.12161	2.8
71.12540	3.0
73.02934	1.6
77.15329	1.2
81.03429	8.9
81.07043	3.4
82.07379	1.4
85.02901	41.9
86.09720	1.7
87.00816	15.1
91.05486	2.2
92.28465	1.3
93.07037	2.2
95.08619	4.6
97.02903	11.6
99.04450	5.1
99.08102	2.0
105.01867	33.4
105.07057	2.5
107.08609	3.9
109.02884	14.5
109.10153	17.5
119.08572	8.5
121.10145	3.8
123.11676	2.0
127.03908	28.6
133.10139	5.1
135.11687	14.7
137.09590	5.7
145.04935	9.6
149.13243	2.2
151.11174	2.2
151.14812	3.4
154.34860	1.6
155.87958	1.5
155.89456	1.5
158.25958	1.6
159.02844	2.0
167.03526	1.8
175.13506	1.5
175.14769	9.4
193.15845	11.4
199.03560	1.4
211.16937	15.9
215.71632	1.5
231.04939	7.3
283.06100	1.7
284.02740	1.6
299.09003	2.6
300.06284	6.2
314.10413	1.7
315.08618	32.9
348.26080	2.7
476.30963	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77706	2.5
55.01852	2.5
56.12188	2.3
57.03431	24.1
59.04988	5.9
60.04519	6.3
64.60454	2.6
66.50376	2.7
69.03430	86.5
71.01363	2.7
73.02911	5.3
75.04471	5.2
79.05478	3.2
81.03423	4.3
85.02901	62.7
87.04469	51.9
91.05471	4.9
95.04926	3.7
97.02891	66.3
105.07013	9.2
107.04935	21.0
115.03927	95.9
119.04924	2.6
121.06505	2.7
124.05201	8.9
125.44501	2.9
127.03914	9.5
133.04964	89.6
133.06500	7.7
136.07576	4.2
137.05959	21.8
139.03853	6.5
145.04929	7.1
150.07610	10.9
151.03961	3.5
153.01817	2.9
163.06050	3.0
165.09126	37.1
167.03412	5.3
175.03928	6.9
177.08852	3.1
189.09138	3.3
201.09029	3.2
210.14888	3.2
214.46832	2.5
255.06496	5.7
272.06747	3.5
300.06354	4.6
311.08994	4.1
315.08612	100.0
326.22748	2.8
428.69516	3.1
476.32761	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	476.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.1
57.03434	16.2
59.04984	2.9
60.04520	2.7
61.02928	2.1
61.59706	1.1
65.03962	1.0
67.05531	1.0
69.03430	52.3
70.06600	2.1
70.74661	3.1
71.01350	1.1
73.02917	1.5
75.04463	1.9
79.05486	1.1
81.03405	1.2
83.04986	1.3
84.04544	1.3
85.02904	35.9
86.09760	1.1
87.04465	33.5
91.05472	6.8
97.02888	42.0
98.06033	1.5
99.04472	1.8
105.07045	1.2
115.03931	42.3
119.04942	21.2
121.06505	1.1
123.04464	2.3
127.03909	4.2
133.04965	44.9
137.05922	1.0
143.04979	1.0
145.02916	1.2
145.04951	4.0
147.04408	100.0
148.04819	1.5
150.07603	14.8
153.01843	2.1
161.05963	2.8
162.07660	1.3
165.05473	50.9
169.04909	1.7
171.04417	3.2
177.05516	2.2
180.08656	1.9
189.05444	7.4
193.08627	1.2
207.06512	7.8
219.02965	1.9
243.06570	4.3
259.08145	1.1
279.08664	4.3
338.07419	1.6
343.04529	4.4
355.08044	1.4
461.20529	1.0
478.45963	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	49.1
69.03419	8.3
69.35676	48.8
70.06614	4.6
81.07048	4.2
85.02895	11.5
86.09688	5.7
93.07024	6.6
97.02902	4.7
99.04443	13.0
100.04804	8.1
106.25410	5.1
108.53252	4.2
127.03972	8.3
133.10127	5.5
137.05957	8.9
150.70338	4.2
153.01804	4.3
167.03133	4.2
185.33266	4.4
211.09647	100.0
227.08069	7.0
227.16373	5.6
228.16724	12.2
246.53676	4.4
303.05054	5.2
324.28369	5.5
344.07803	10.9
476.32663	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	475.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.4
53.57878	2.4
55.01878	5.4
55.05513	13.9
55.52348	2.5
57.03440	22.3
57.07075	41.9
61.02927	51.4
61.03246	2.8
67.05506	58.1
69.03432	25.2
69.07073	24.6
71.01355	4.8
71.04993	6.4
71.08635	34.5
73.02917	24.5
73.43380	2.2
79.05488	37.8
81.03437	19.2
81.07052	61.1
83.04967	10.3
83.08624	20.7
85.02903	55.9
85.10188	18.5
91.03960	35.7
91.05484	33.8
93.07035	45.8
95.04957	10.5
95.08612	46.0
97.02887	52.3
97.06493	4.3
97.10160	9.8
99.04472	8.3
101.02379	7.8
103.03944	9.9
105.07027	19.2
107.04959	4.9
107.08598	20.4
109.02886	11.1
109.10165	17.3
111.08155	3.5
115.03920	3.4
117.05537	4.1
117.07018	8.3
119.08592	10.5
121.10151	8.9
123.11715	9.0
127.03935	20.1
129.05467	4.1
129.06999	8.0
131.08578	7.9
133.10129	8.7
135.08095	3.5
135.11734	8.0
137.13287	4.1
143.08556	6.2
145.04976	8.9
145.10202	3.5
147.11717	13.2
149.13312	8.8
159.11647	3.7
160.09503	3.3
161.13275	5.3
167.32234	2.5
171.11714	9.9
183.06554	5.9
189.12770	7.2
201.07658	4.8
207.13861	8.1
210.12718	2.7
226.34636	2.6
239.23705	23.9
257.24921	4.8
313.27371	100.0
314.27960	3.7
341.26859	4.8
454.51517	2.5
475.31659	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90942	3.0
53.03929	9.8
55.01855	3.7
55.05515	29.0
57.03437	15.2
57.07073	6.0
57.56517	2.7
58.98074	2.5
65.03938	6.1
65.15785	3.1
67.05503	88.1
69.07068	28.6
70.44015	11.7
71.04966	3.9
79.05070	4.7
79.05492	75.6
81.03414	9.6
81.07056	100.0
83.04965	17.8
83.08604	17.9
85.06538	6.0
85.97777	2.6
91.05480	59.2
93.06476	4.8
93.07043	90.9
95.04965	29.0
95.08597	40.6
97.06522	11.9
97.10159	7.4
98.21458	3.3
98.98475	20.3
105.07035	37.2
106.21370	2.7
107.04939	6.2
107.08593	29.0
109.06532	4.0
109.10168	11.8
111.08065	7.2
117.07008	11.3
119.08582	27.1
121.06456	5.2
121.10129	18.6
123.08092	6.0
123.11684	4.2
129.07005	14.4
131.08528	13.8
133.10152	15.2
135.08154	3.1
135.11713	9.8
136.99956	13.9
143.08499	6.5
145.10118	8.7
147.11684	29.0
149.13278	14.4
155.01004	13.4
159.11720	9.8
161.09618	8.4
161.13245	10.6
171.11665	21.0
175.44478	3.3
177.12753	5.2
189.12749	7.2
195.13814	7.4
207.13794	22.7
211.03577	5.2
222.89000	2.9
225.14902	5.0
268.72745	3.2
339.28879	12.5
354.01633	2.9
475.32516	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	475.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.6
53.03949	9.3
55.01870	5.2
55.05260	2.4
55.05512	30.6
57.03437	6.4
57.07067	3.9
65.03938	4.2
67.05502	95.1
69.07068	27.6
70.93674	3.7
71.04995	6.0
71.08649	1.5
73.02914	1.3
77.03854	1.5
79.05492	96.2
81.03406	12.5
81.07056	98.8
83.04987	16.3
83.08611	13.1
85.06543	5.1
91.05481	66.2
92.05778	2.2
93.07040	100.0
95.04964	32.6
95.07988	1.9
95.08601	39.6
97.02895	1.4
97.06519	14.4
97.10190	4.8
99.08126	3.0
103.05455	1.6
105.07025	44.8
107.04948	7.5
107.08595	41.6
109.06499	7.8
109.10162	9.3
111.04491	1.3
111.08061	8.8
115.05445	1.4
117.07004	12.8
119.08578	22.1
121.06524	3.8
121.10138	18.6
123.08050	6.7
127.07599	2.0
128.06226	2.0
129.07005	17.3
131.08603	10.8
133.06566	1.5
133.10115	14.0
135.08093	3.4
135.11699	10.3
141.59120	1.4
143.08531	8.7
145.10123	9.5
147.08116	3.7
147.11687	32.4
147.12778	1.8
149.13258	27.6
151.02864	1.3
151.11140	1.6
159.11687	12.1
161.09610	3.2
161.13257	12.3
163.11212	1.5
171.11699	25.0
177.12750	7.2
189.12741	11.1
195.13789	6.8
207.13797	23.4
225.14861	2.9
281.17355	1.5
304.26492	3.3
342.21094	1.3
383.25861	1.7
475.30643	49.2
476.30853	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	11.7
55.01866	7.0
55.05505	24.7
57.03412	7.5
57.07061	3.4
59.37051	2.6
65.03934	3.8
67.05505	93.5
69.07079	21.0
71.04977	4.6
71.59023	4.6
76.37024	2.8
76.37418	3.2
79.05494	100.0
81.03406	14.4
81.06583	4.6
81.07059	90.0
82.07369	2.7
83.04982	20.0
83.08629	16.9
85.06557	4.8
91.05483	56.4
93.06474	5.0
93.07043	87.4
93.33502	2.4
95.04961	24.9
95.08625	36.7
97.06528	13.1
97.10163	6.5
99.08085	4.2
105.07037	42.0
107.04935	6.6
107.08600	40.2
108.72350	2.6
109.06523	8.0
109.10115	5.8
111.08085	5.4
117.07048	13.7
119.08598	20.5
121.06493	4.0
121.10131	17.1
123.08054	5.9
129.07024	12.4
131.08563	15.3
133.10149	15.9
135.11646	9.6
135.52913	2.4
137.13341	2.7
143.08546	6.9
145.10095	8.8
147.11690	32.2
149.13235	21.5
159.11664	10.3
161.09653	4.9
161.13223	9.4
171.11700	22.3
177.12732	5.9
189.12796	11.2
195.13835	6.0
207.13783	23.5
225.14874	3.8
331.49655	2.6
363.96835	2.9
475.30905	49.8
476.31311	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	475.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01612	3.3
51.44001	2.8
53.03937	8.4
54.42331	2.8
55.01859	3.5
55.05509	26.4
55.36753	2.7
57.03441	6.2
57.07083	3.2
65.03936	4.6
67.05177	5.0
67.05507	84.1
69.07072	19.0
71.05011	6.5
79.05494	87.4
81.03418	14.2
81.07061	100.0
83.04990	15.0
83.08616	19.6
85.06576	2.7
91.05481	63.6
93.07047	80.6
95.04973	23.5
95.08611	43.5
97.06510	11.3
97.10210	3.9
103.90377	2.9
105.04510	3.5
105.07030	47.1
107.04955	6.4
107.08598	35.6
109.06519	7.0
109.10172	10.0
111.08114	6.0
117.06986	14.0
119.08588	27.2
120.76765	2.7
121.06465	6.9
121.10159	18.4
123.08087	5.4
127.52695	2.8
128.06265	5.0
129.06992	17.9
131.08563	14.5
131.25061	2.6
133.10126	19.8
135.08093	3.9
135.11707	10.0
136.99376	2.7
139.33102	2.7
143.08566	7.7
145.10097	13.2
147.11693	30.9
149.13246	22.1
159.11697	9.9
161.09564	3.2
161.13278	13.2
171.11710	28.9
177.12756	6.3
189.12776	12.9
195.13770	5.6
207.13794	26.8
219.06453	4.1
473.04834	3.3
475.30350	51.4
476.32751	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	1.8
53.03946	8.4
55.01878	4.7
55.05512	29.1
57.03440	4.3
57.07087	12.5
65.03934	5.8
67.05507	89.4
69.07069	26.4
71.04998	5.4
71.08630	15.2
73.06558	2.8
77.03959	1.9
79.05495	96.5
81.03423	14.2
81.07061	100.0
82.07378	1.7
83.04982	12.8
83.08634	15.5
85.06538	5.7
91.05484	65.5
93.07044	87.3
95.04978	28.4
95.08608	36.0
97.06551	11.2
97.07072	1.7
97.10162	4.5
99.08134	2.3
101.06052	1.8
103.05473	2.0
103.26742	1.7
105.04568	2.3
105.07027	40.4
105.07687	3.5
107.04977	6.0
107.08599	37.7
109.06532	6.6
109.10174	7.3
111.08118	3.8
115.05466	3.2
117.07017	14.7
119.08590	22.5
121.06543	2.5
121.10145	16.5
123.08057	5.1
123.11710	2.4
125.09631	2.5
127.07536	2.8
128.06261	3.3
129.06999	10.9
131.08583	10.8
133.10152	15.5
135.08075	3.0
135.11699	6.6
143.08585	6.3
145.10100	9.7
147.11688	28.5
148.12071	2.4
149.13278	25.4
153.05519	2.0
159.11662	12.1
161.09647	4.1
161.13263	10.4
167.05804	1.7
167.07127	2.3
171.11679	23.3
177.12779	3.8
189.12743	9.0
191.20154	1.6
193.12196	1.8
195.13840	4.5
207.13786	24.7
222.60974	2.0
225.14851	4.9
291.19666	3.2
304.26492	5.1
475.30695	45.2
476.30923	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	475.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.8
53.03948	8.1
55.01861	3.6
55.05508	29.3
56.48638	1.3
57.03423	6.2
57.07080	2.9
58.66841	1.2
60.25970	1.2
61.57601	1.2
63.75922	1.4
65.03927	5.6
67.05502	88.4
68.05842	2.0
69.07064	26.1
69.43112	1.2
71.04984	5.6
72.27961	1.1
73.06568	1.9
79.05489	95.0
80.05867	1.5
81.03415	10.2
81.07053	100.0
82.07349	1.5
82.54312	1.6
83.04974	16.1
83.08614	14.9
85.06539	3.5
87.76007	1.7
91.05476	56.4
93.07040	86.6
94.73490	1.3
95.04967	26.1
95.08602	32.4
97.06518	13.8
97.10160	4.9
99.08109	4.1
103.05505	1.6
105.07025	38.6
107.04964	6.3
107.08591	38.8
109.06508	8.9
109.10165	5.0
111.08094	5.5
117.07022	14.4
118.04682	1.3
119.08568	21.0
119.09353	1.8
121.06515	4.6
121.10133	15.9
123.08064	6.6
123.11710	2.5
123.76305	1.6
129.07007	13.9
131.08566	11.3
133.10126	15.2
135.08075	2.6
135.11673	7.2
143.08527	7.2
145.10106	9.3
147.08000	2.2
147.11684	29.1
149.13246	22.9
159.11633	8.7
161.09657	4.4
161.13255	11.9
167.14400	1.3
171.11687	24.6
177.12796	5.2
189.12770	8.4
195.13797	8.2
207.13795	23.7
225.14821	4.9
249.76105	1.4
376.41183	1.4
431.92776	1.6
475.30582	50.4
476.30734	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	475.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	14.2
55.01857	6.2
55.05270	2.1
55.05510	32.7
57.03423	7.9
57.07062	3.7
65.03934	5.9
67.05503	89.9
69.06733	2.4
69.07068	27.1
70.75784	2.2
70.76143	5.5
71.04993	4.8
73.06528	1.9
74.62479	1.6
79.05490	100.0
79.58175	1.9
81.03426	10.9
81.07054	98.7
81.23327	1.7
83.04987	15.9
83.08618	15.4
85.06522	5.2
87.18699	1.8
87.80875	1.7
88.00164	1.8
89.34957	1.7
91.05482	69.8
93.07042	95.8
95.04963	26.6
95.08604	38.9
97.06539	13.7
97.10158	4.4
99.08086	5.3
105.04513	3.7
105.07032	39.5
107.04950	6.3
107.08598	42.0
109.06522	8.0
109.10126	6.4
111.08078	6.4
112.68357	1.8
115.05414	2.1
117.07021	13.3
119.08572	26.3
121.06495	3.9
121.10123	19.6
123.08044	5.6
125.09637	2.4
127.07521	2.8
128.06215	4.1
129.06999	15.3
131.08554	10.3
133.06480	1.9
133.10126	21.0
135.11697	8.8
141.08998	1.7
143.08559	6.9
145.10094	7.4
147.08018	3.8
147.11678	30.8
149.13248	28.0
157.10115	2.2
159.11674	12.3
161.09641	4.5
161.13274	13.0
171.11690	26.3
177.12703	7.1
189.12846	10.5
190.20190	1.9
195.13756	6.3
207.13811	30.7
225.14786	3.3
383.26099	3.2
475.30603	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	11.2
55.01862	3.7
55.05512	29.0
57.03421	8.1
57.07076	2.5
65.03938	4.7
67.05505	95.0
69.07068	24.0
70.75578	6.5
71.04969	3.5
79.05492	100.0
81.03417	11.9
81.07056	99.3
83.04988	16.0
83.08616	13.4
85.06536	4.9
86.45832	2.2
91.05478	72.8
93.06480	4.9
93.07046	94.9
95.04979	27.8
95.08591	34.6
97.02840	2.6
97.06519	16.6
99.08105	4.1
100.62858	2.2
105.04514	3.2
105.06322	2.2
105.07028	45.7
107.04933	6.3
107.08592	40.6
109.06496	7.4
109.10178	4.9
109.98365	2.1
111.08107	5.1
114.47503	2.5
117.07035	18.6
119.08572	23.0
119.72845	2.2
121.06480	3.2
121.10142	16.1
123.08081	5.5
123.11675	2.3
124.60974	2.2
128.06221	4.6
129.06955	12.7
131.08559	10.2
133.10133	13.7
135.08167	2.4
135.11679	7.0
143.08539	6.9
145.10107	9.2
147.11674	29.1
149.13235	20.8
159.11720	10.8
161.09564	4.0
161.13292	11.9
163.11142	2.8
171.11676	25.6
177.12747	3.9
189.12726	7.9
195.13823	6.4
203.35182	2.1
207.13782	32.2
225.14844	6.8
236.64409	2.3
247.90837	2.1
304.26105	3.3
304.71686	2.3
354.99802	2.1
371.89923	2.3
425.33224	2.8
475.30643	49.3
476.30643	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.2
53.03950	11.9
55.01855	4.0
55.05515	30.5
57.03421	6.3
65.03943	5.3
67.05505	90.1
69.07070	27.0
70.75724	6.1
71.01354	2.7
71.05000	4.0
73.00555	2.1
75.05992	2.0
79.05495	100.0
79.05960	4.7
80.06307	1.9
81.03428	14.0
81.07055	99.2
83.04980	16.7
83.08634	13.7
85.02876	3.0
85.06544	3.5
91.05481	69.9
93.07043	93.5
95.04972	29.0
95.08609	40.3
97.06516	14.9
97.10174	6.0
99.08118	2.5
105.04560	2.4
105.06383	3.7
105.07037	45.8
107.04958	6.8
107.08598	40.1
109.06537	7.4
109.10162	9.6
111.08086	5.9
117.07027	14.3
119.08578	21.0
119.34827	1.9
121.06497	4.2
121.10139	20.0
121.14091	1.9
123.08058	6.6
123.11733	2.2
123.99238	2.0
129.06992	14.1
130.64371	2.1
131.08565	10.4
133.10126	14.4
134.41634	2.2
135.08070	3.3
135.11691	8.7
143.08549	8.6
145.10112	11.0
147.11679	32.9
149.09674	2.5
149.13249	27.3
159.11702	10.9
161.09572	4.3
161.13234	12.3
171.11670	26.2
177.12744	6.2
189.12764	9.7
190.68330	2.1
193.12320	3.5
195.13768	4.5
207.13853	23.6
215.14346	2.5
225.14764	3.7
286.64264	2.1
475.13388	2.5
475.30951	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.9
55.01870	1.7
55.05497	4.9
57.03410	2.3
57.31173	1.4
60.07166	1.2
65.03931	1.8
66.92472	1.3
67.05510	7.5
67.50633	1.5
69.03414	2.3
69.07071	3.2
71.04981	2.5
71.58778	2.8
74.47314	1.5
78.04725	1.5
79.05495	20.9
81.03419	8.7
81.07047	8.6
83.04973	2.6
83.08595	4.4
85.02894	2.6
91.05472	16.5
93.07043	7.5
95.04970	10.5
95.08597	5.9
97.02890	1.7
97.06538	2.6
99.04491	1.6
103.05428	2.1
105.07042	8.1
107.04955	37.7
107.08598	7.3
109.02889	1.9
109.06506	4.1
109.10139	3.5
111.04372	2.0
115.05441	4.4
116.06226	4.1
117.07011	6.7
119.04910	1.6
119.08549	4.8
121.02862	3.2
121.06486	3.6
121.10129	2.9
123.04417	5.1
124.05197	4.9
125.05997	5.4
128.06232	5.7
129.07013	8.8
129.17410	1.6
130.07785	1.5
131.04938	3.2
131.08559	11.4
132.05672	1.7
133.06558	1.6
135.04379	2.0
135.08044	2.1
135.11691	4.5
137.05969	6.2
137.09589	2.1
139.03802	1.6
141.06987	5.1
143.51872	1.4
144.05724	10.2
145.06459	10.5
145.10101	4.3
146.03752	2.4
147.04381	2.9
147.08060	2.6
147.11725	2.0
149.06004	2.1
151.07510	4.8
152.04684	4.9
153.05482	4.9
153.07109	1.8
156.05696	14.4
157.06483	4.8
157.10107	2.1
158.07243	2.7
159.08063	15.9
160.05312	1.7
161.05989	5.3
161.09662	1.5
163.03928	3.3
163.07492	2.0
163.11166	5.1
165.09087	4.9
167.07043	100.0
168.07370	2.5
169.06450	2.4
169.10126	1.7
172.05196	2.8
173.05966	6.3
174.06650	1.8
175.07535	4.2
177.05472	2.0
179.07025	3.7
181.04959	3.7
181.08534	3.5
181.12152	2.3
183.06468	1.8
183.07977	2.9
183.11615	1.5
184.05217	4.1
185.05937	1.9
186.06709	4.0
187.07515	12.3
189.06970	1.9
189.09090	1.6
190.06233	3.9
191.06998	4.2
191.08542	3.1
193.08647	1.9
193.12135	1.3
195.06500	5.4
195.08102	1.9
196.08942	1.5
198.06697	1.8
202.06212	5.4
202.07820	4.0
203.06952	2.4
203.08604	2.8
204.07755	2.1
205.06683	1.9
205.08592	24.2
207.06494	7.8
207.08231	1.6
207.10097	3.1
208.05267	6.9
208.08775	1.6
209.06305	1.6
209.08040	8.3
210.06801	2.5
211.07617	2.7
215.06929	2.5
215.08788	1.8
217.06555	2.2
217.08583	26.8
218.07278	6.2
219.08035	10.4
219.10144	7.7
220.08844	7.5
220.97069	1.4
221.05949	6.1
226.06163	2.2
227.12793	6.7
229.08562	4.9
231.08032	7.4
231.10164	3.5
232.08923	1.8
233.05998	2.6
233.09615	5.8
234.06773	2.5
235.07515	6.6
236.04771	3.5
236.08299	5.5
237.09096	2.4
239.07001	1.8
241.08536	5.6
241.10733	5.5
245.09526	2.2
246.06830	1.7
247.07454	12.2
247.09673	20.2
248.08308	11.2
249.05479	4.2
249.09084	2.6
250.06221	3.1
251.07187	2.0
251.10674	3.8
253.08675	2.1
254.05786	5.0
255.06473	5.1
256.07309	2.8
259.07687	2.1
260.08200	3.4
261.09085	7.1
262.09851	3.5
263.07031	5.0
263.10614	9.3
264.07809	7.2
265.08554	6.7
266.05768	2.0
267.06488	5.7
268.03751	1.9
269.08069	13.7
271.06046	4.6
271.09647	7.6
275.07050	4.4
276.07813	6.4
277.08548	8.8
278.05646	1.7
278.09241	2.5
279.10144	9.9
280.07535	2.3
280.10797	2.6
281.07938	2.8
282.05780	2.5
282.08871	12.8
284.06720	2.8
285.07620	2.9
286.08530	3.1
289.08530	3.1
290.05835	1.7
290.09332	6.2
291.06528	2.5
291.09921	9.9
291.12274	15.2
292.07285	3.9
292.10358	1.6
293.08051	11.5
294.08679	2.8
295.09674	2.8
296.10495	2.5
297.07523	1.5
299.09164	5.4
301.07108	3.0
304.07153	2.1
305.07999	4.8
306.08932	2.6
307.09653	14.6
308.10336	6.9
309.07739	2.6
309.11157	3.4
310.08310	6.4
311.12711	3.7
313.07083	1.9
315.08603	35.3
316.09338	2.2
318.08923	2.9
319.09732	7.6
321.07492	3.8
321.13525	4.5
322.08209	3.0
323.09079	3.5
323.12735	16.0
324.09790	2.9
325.10632	2.5
328.09402	3.7
329.10303	7.6
330.10965	18.8
331.11606	7.1
335.08987	2.8
336.09860	6.7
337.07227	1.9
337.10620	9.3
338.11404	1.8
339.12384	11.4
341.10184	2.6
343.11688	13.9
351.12238	27.9
352.13034	3.4
353.09998	7.8
356.12479	7.3
365.13837	1.8
367.11981	2.5
368.12399	12.7
369.13248	2.4
370.13800	2.0
371.14767	7.8
373.12720	5.5
382.13947	6.2
383.14896	57.7
383.22116	5.2
386.13882	1.9
389.12018	1.8
400.15018	2.0
401.16028	7.8
404.14682	35.6
405.15240	3.4
413.15979	4.3
417.15552	7.9
425.15735	4.2
457.18793	19.8
457.25458	3.4
475.19617	14.9
475.26810	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	475.1234
Annotation	Germanaism B
Peak:m/z	Relative Intensity
53.94210	0.2
54.39434	0.2
58.51282	0.2
68.99788	0.5
69.91914	0.2
70.90006	0.5
77.67917	0.2
79.05462	0.2
81.07014	0.2
86.19881	0.2
87.42150	0.2
91.05481	0.3
106.08596	0.2
107.08582	0.2
132.43501	0.2
139.03955	0.2
139.05373	0.5
144.05701	0.5
145.02861	0.2
155.04871	0.6
156.05669	0.5
159.08055	0.3
163.04041	0.2
167.04945	1.6
167.07047	0.2
170.03610	0.5
171.04411	0.8
181.78792	0.2
184.05153	1.0
187.07545	0.3
192.93687	0.2
195.04361	0.8
199.07550	0.4
202.21588	0.2
212.04674	3.1
223.03886	0.9
225.05568	0.5
227.07011	1.3
240.04167	6.0
242.05685	0.4
251.03278	0.3
253.04930	1.5
254.05698	0.3
255.06516	8.9
256.06738	0.3
257.08075	1.8
268.03662	5.8
269.04037	0.2
270.05212	1.6
283.06000	8.8
284.06339	0.3
285.07355	0.4
298.04703	6.5
313.07040	100.0
314.07419	2.9
314.53134	0.2
426.50510	0.2
475.32248	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43976	0.6
53.03949	0.8
55.01865	1.1
55.05522	3.6
56.14656	0.6
57.03442	7.8
57.07077	9.6
58.06601	44.0
59.07382	10.6
60.07883	0.9
60.08166	13.2
67.05502	9.0
69.07053	4.9
69.26418	0.8
69.38152	4.1
69.38583	3.3
71.08630	5.5
73.02911	1.8
75.04468	3.8
79.05487	7.8
81.03420	1.6
81.07060	8.4
83.04972	1.3
83.08621	3.7
85.02902	2.4
85.10185	3.0
85.57684	0.7
87.04465	3.6
91.05493	4.8
93.07063	7.4
95.04932	2.0
95.08618	5.6
97.06563	1.1
97.10168	1.8
98.98483	1.6
103.03991	0.7
105.05505	1.0
105.07020	2.7
107.04928	0.9
107.08591	2.9
107.99501	0.8
109.10171	1.8
113.05980	0.9
117.07038	0.9
119.08589	2.0
121.10143	1.9
125.26475	0.8
129.06999	0.7
131.07024	1.4
131.08546	1.3
133.10118	1.2
136.49788	0.7
136.99986	1.1
141.41129	0.7
144.10202	8.2
145.10100	0.9
147.11745	1.9
149.13268	2.0
155.01060	1.3
162.11276	2.4
165.15001	0.7
169.01306	0.8
171.11707	1.6
207.13858	2.0
218.13998	1.1
226.55383	0.7
236.14931	92.8
237.15314	2.1
412.38177	1.0
456.36838	29.5
456.43069	1.7
457.37366	1.7
474.37930	100.0
475.31665	4.3
475.38416	4.7
496.00717	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3624
Annotation	Jujubogenin
Peak:m/z	Relative Intensity
50.47929	2.2
55.05519	20.7
56.96563	5.4
57.03435	4.8
61.02912	5.8
65.03938	2.5
67.05511	38.0
69.03415	3.9
69.07072	16.5
71.04995	4.0
71.58997	2.5
73.73108	2.2
79.05486	27.6
81.03426	10.5
81.07059	36.5
83.04998	3.6
83.08624	10.4
85.02908	6.3
85.06569	2.8
91.05484	33.9
93.07046	30.4
95.04978	7.1
95.08605	33.4
97.02893	3.4
97.10200	4.3
105.07036	42.5
107.05833	2.1
107.08599	17.7
109.06551	2.5
109.10138	13.6
117.07001	11.7
119.08586	32.9
121.06493	2.5
121.10146	10.1
123.08080	5.0
123.11765	4.4
125.09586	2.9
129.07027	4.8
131.08574	20.4
133.10138	22.7
135.11710	5.6
143.08575	5.1
145.10135	17.9
147.11705	19.9
149.13283	4.2
157.10201	8.4
159.11705	11.2
161.13281	8.6
169.10178	4.3
171.11731	9.1
173.13292	7.0
183.11713	3.6
185.13281	4.9
187.14827	5.4
193.12308	3.6
199.14822	3.1
228.05865	2.3
241.07446	3.4
256.26379	3.6
259.08578	9.4
260.09003	4.2
285.10181	4.9
285.22070	3.4
289.21725	3.0
303.11194	3.4
303.23364	4.8
317.24463	3.1
329.25290	2.6
419.33133	3.3
437.34232	11.5
455.35034	6.8
473.29443	4.9
473.36307	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.8
55.01851	5.0
55.05508	21.6
57.03431	3.2
58.14447	1.0
63.33849	1.2
65.03938	3.8
67.05504	57.6
69.03414	3.3
69.07063	11.5
70.98346	1.0
71.04983	2.7
79.05490	69.2
79.56669	1.2
80.05827	1.1
81.03416	100.0
81.07055	45.2
82.79340	1.1
83.04979	12.0
83.08614	21.2
85.02893	1.3
85.06535	2.5
91.05478	64.9
93.07040	45.2
93.07635	2.3
95.04964	44.0
95.08611	22.6
96.53351	1.1
97.02895	2.6
97.06529	5.7
97.10149	4.6
98.20734	3.2
99.08109	1.2
103.05441	3.7
105.04524	2.0
105.07029	43.0
107.04947	10.3
107.08583	15.8
109.06528	6.8
109.10143	5.8
111.04412	1.9
111.08082	10.7
115.05450	2.8
117.07014	10.2
119.08574	29.8
121.06493	5.5
121.10134	9.3
123.08057	4.6
123.11693	1.3
125.09621	2.9
127.07538	1.3
128.06209	4.6
129.06999	26.4
131.08562	11.4
133.06488	5.0
133.10117	8.7
134.91043	1.1
135.08051	1.5
135.11661	1.8
135.38538	1.0
137.09612	3.4
141.06972	2.2
142.07777	4.1
143.08583	9.7
145.06477	2.4
145.10115	9.7
147.08026	4.9
147.11670	31.0
147.12781	1.7
149.09581	3.7
151.07506	1.4
153.09088	1.3
155.08537	1.4
157.10127	9.7
159.11722	1.6
161.09666	3.4
161.13252	6.6
163.11221	1.7
167.08514	1.6
169.10127	2.0
171.08046	1.6
171.11688	18.3
173.09544	1.3
175.11188	9.8
181.10143	1.5
181.19493	1.1
189.12712	7.3
193.12238	22.8
199.11217	1.5
205.12408	1.3
207.13756	15.7
225.14915	1.9
229.61240	1.6
233.27669	1.2
249.14885	3.4
363.23297	2.2
381.24225	5.3
399.25430	2.3
455.27985	2.7
455.80484	1.3
473.28976	54.2
474.29312	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	473.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21355	0.5
64.73693	0.6
68.02215	0.5
69.58552	4.1
84.32158	0.5
88.47466	0.6
91.05477	0.7
109.10112	0.6
136.78111	0.5
159.18195	0.6
166.35469	0.6
177.32188	0.6
203.05312	3.7
249.14673	4.4
269.12463	0.9
270.35333	0.6
293.13199	1.9
311.14648	22.4
311.18262	1.1
312.08499	1.6
312.15103	0.7
353.14645	0.8
411.19922	1.3
473.19913	100.0
474.20166	3.8
496.80472	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.7
53.03944	10.0
55.01855	4.8
55.05505	20.1
57.03415	2.4
57.07063	1.3
64.84887	1.2
65.03936	3.1
67.05500	50.6
69.03430	3.0
69.07062	9.9
69.44762	10.1
71.04984	4.0
71.29581	1.3
79.05009	1.3
79.05486	63.6
81.03413	100.0
81.07047	41.0
83.04975	13.0
83.08616	19.8
85.06554	2.2
91.05473	56.7
93.07037	44.6
93.07631	2.5
95.04959	42.4
95.08598	19.7
97.02883	3.8
97.06519	5.3
97.10168	6.4
98.21552	2.3
99.08140	1.7
99.34657	1.4
103.05453	1.9
105.07021	44.1
107.04931	11.4
107.08590	18.2
109.06499	5.5
109.10137	5.7
111.08080	8.2
115.05415	3.9
117.06999	8.2
119.08569	25.3
121.06499	5.4
121.10149	5.2
123.08051	5.2
125.09601	3.0
126.81754	1.3
128.06235	4.4
129.06990	22.7
131.08566	11.0
133.06451	4.6
133.10103	9.5
135.08142	1.8
135.11725	1.9
137.09662	2.2
141.06920	2.7
142.07771	2.8
143.08549	8.1
145.06462	2.6
145.10129	8.2
147.08047	5.8
147.11682	30.0
149.09636	5.2
155.08498	2.2
157.10107	11.0
161.09622	3.5
161.13248	5.0
169.10072	1.7
171.08073	2.5
171.11673	21.3
175.02386	1.5
175.11153	10.3
189.12663	7.5
193.12230	25.3
200.73846	1.5
207.13783	17.3
225.98849	1.3
229.15781	2.5
249.14941	2.9
327.72919	1.5
363.23212	2.9
381.24133	3.4
399.25131	3.5
417.26187	1.5
455.27655	3.2
473.28915	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30329	1.7
50.59662	1.7
55.05518	2.0
56.96561	10.4
57.03421	8.0
59.96581	1.6
64.69667	1.5
67.05493	10.2
69.07060	3.5
70.42333	6.4
75.55470	1.8
81.07064	9.3
88.39236	1.7
93.07033	2.2
95.08617	5.4
98.98457	15.3
102.92620	3.8
105.54935	2.2
109.10178	2.3
110.65154	1.8
133.10162	2.0
136.87204	1.8
136.93117	4.5
136.99991	8.3
146.99625	2.3
154.94154	20.5
155.00998	13.1
162.50368	2.2
172.95233	85.9
190.96274	70.1
195.96794	9.3
210.96849	10.2
211.03772	4.2
213.97917	4.4
216.74396	1.9
228.97841	30.8
246.98972	6.4
251.99388	4.2
286.91000	2.0
319.19458	15.0
335.18793	2.7
337.20520	31.5
337.27405	7.7
338.21088	2.2
355.21722	2.7
360.22021	5.0
399.16019	2.0
455.18576	17.5
473.19830	100.0
473.26474	6.2
473.91208	2.3
474.20218	4.3
496.21307	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	473.1974
Annotation	Paleatin A
Peak:m/z	Relative Intensity
55.88186	0.9
56.96564	9.5
58.07816	1.0
65.93447	0.9
71.59186	1.6
71.95263	1.1
74.97629	1.2
81.07066	1.1
93.62486	0.9
97.18327	0.9
102.92604	3.0
118.92006	1.1
136.93079	4.7
146.99614	2.0
148.94354	1.0
150.19037	1.0
154.94154	20.1
172.95235	76.8
177.05843	1.0
190.96280	62.2
195.96785	5.7
208.97388	1.1
210.96764	7.8
212.98294	1.7
213.97847	5.1
228.97864	29.4
229.00108	1.5
233.98291	1.2
246.98949	6.7
251.99559	2.3
256.26370	1.5
294.33530	1.1
317.17831	1.3
319.19409	14.8
335.18954	2.2
337.20474	33.2
338.20688	1.0
355.21759	1.3
360.22067	6.1
399.16129	3.4
417.17267	1.7
437.31808	1.3
455.18698	14.5
473.19778	100.0
474.20331	5.2
496.21393	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	472.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79911	1.6
53.03941	9.3
55.01880	10.1
57.03419	7.6
57.15862	2.0
59.05016	2.4
61.02920	4.3
68.99793	2.6
69.03082	2.1
69.03429	32.7
69.07050	1.7
69.76927	10.9
71.04974	7.8
73.02919	10.0
79.05490	2.3
81.02986	2.5
81.03418	31.8
83.01337	2.3
85.02906	97.4
85.06522	2.4
85.40470	1.7
87.00832	32.0
89.08937	1.8
91.03926	2.9
93.07041	2.1
95.04957	2.5
97.02288	3.4
97.02893	57.0
97.06551	1.8
98.21497	2.4
99.04462	14.5
105.01186	3.4
105.01864	58.2
105.03378	19.5
109.02888	36.3
117.01840	4.2
123.04432	7.7
127.03919	100.0
129.01813	4.6
145.04961	60.1
147.02873	2.2
159.02888	24.3
165.09126	1.8
175.07605	2.5
185.44037	1.7
189.09094	2.5
193.08614	6.0
213.03914	7.5
231.05026	25.2
249.06099	5.0
256.91458	1.7
261.12607	1.8
303.13486	1.8
347.12140	1.8
472.22348	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	472.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
65.23138	1.8
68.99792	4.3
69.03432	3.0
69.58990	1.8
70.06599	5.0
71.57815	3.0
72.08159	2.2
84.04488	4.5
84.08134	3.1
86.09682	2.9
97.02899	3.2
111.00765	2.5
111.04470	4.4
121.02887	3.5
127.03910	3.1
139.03893	8.4
149.02385	2.7
153.01840	100.0
153.06830	2.6
165.07048	2.7
167.03426	10.0
169.06493	5.9
171.02956	4.0
179.03363	9.7
181.06502	3.1
188.42438	1.9
193.05003	2.1
195.02885	27.6
197.05981	12.3
199.07567	2.1
209.06035	4.1
211.07631	4.5
213.05437	8.7
214.06160	2.9
215.07004	2.8
221.05983	12.6
223.24049	1.8
225.05513	6.4
227.06984	6.1
231.06575	2.5
237.05569	4.8
239.06987	14.6
241.05011	8.8
243.06516	17.9
245.04459	3.6
249.05513	10.3
255.06505	10.9
257.08035	6.5
259.05939	11.7
260.06754	16.5
261.07556	12.5
265.04950	4.3
267.06451	14.1
271.06088	18.5
272.06711	4.3
273.07535	5.3
285.07645	5.5
288.08521	9.5
303.08542	2.3
311.05447	3.4
320.11301	21.5
391.08029	2.7
401.06674	3.5
403.12973	1.9
419.07648	5.5
437.08643	6.8
454.11438	10.2
455.10025	3.8
472.12415	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	472.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33711	1.1
65.03942	3.0
67.01868	2.8
68.99786	6.4
69.03423	1.9
69.84209	1.2
70.06592	6.3
71.57501	1.4
84.04516	1.8
84.08167	1.5
85.22768	1.2
86.09721	2.5
97.02875	2.7
111.00860	1.4
111.04427	13.2
121.02860	7.7
123.04382	1.5
127.03936	3.7
131.39890	1.1
139.03899	13.8
141.06958	3.5
149.02304	6.7
150.97145	1.2
153.01823	100.0
153.06989	2.6
154.02376	2.7
165.06960	2.0
167.03407	25.7
169.06497	7.1
171.02904	4.5
179.03473	6.4
181.06516	3.6
183.08066	1.5
185.05989	2.8
185.37675	1.1
187.07416	1.5
193.04953	1.6
193.06541	4.6
195.02879	60.6
197.04382	1.7
197.05971	17.6
199.03822	1.9
199.07387	1.3
207.65056	1.4
209.05992	2.0
211.07533	4.7
213.05453	8.8
214.06317	2.4
215.07027	5.1
221.05997	10.6
225.05435	9.6
227.06998	6.1
229.04919	2.6
231.06549	1.3
235.97815	1.5
237.05429	6.7
239.07083	12.0
241.05011	11.6
242.05754	2.5
243.06544	30.4
244.06844	1.9
245.04408	2.8
249.05557	6.6
253.04901	3.3
255.06544	11.1
257.04352	1.4
257.08081	3.9
259.05991	10.9
260.06766	13.3
261.07581	37.7
262.07977	1.6
265.05014	1.9
267.06497	14.8
268.06610	1.2
270.07642	1.4
271.05988	17.5
272.06619	2.4
273.07571	4.8
276.12357	1.1
283.05872	2.5
285.07611	6.1
288.08649	11.6
293.04498	2.0
303.08582	3.9
311.05582	2.4
317.08038	1.8
320.11273	28.8
345.07596	3.0
373.07593	1.2
391.08109	4.4
419.07556	7.5
437.08652	4.6
454.11301	7.2
455.09888	3.3
472.12366	28.3
473.12723	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.0
67.05497	10.7
69.03401	4.2
69.07054	7.5
70.96079	3.3
71.59136	4.2
72.41731	2.8
78.96582	2.6
79.05498	25.1
81.07055	100.0
83.04990	3.8
83.08604	4.7
85.06580	3.4
91.05475	24.1
93.07045	15.4
95.04952	3.1
95.08588	12.7
97.06516	3.5
105.07036	21.2
107.04966	3.6
107.08582	25.4
109.06505	42.5
109.10160	5.4
111.08102	2.7
117.07009	8.3
119.08561	20.7
121.06506	3.7
121.10151	8.5
123.08058	2.5
123.11724	2.9
129.06969	4.1
131.08574	23.4
133.10150	14.6
135.08072	23.2
135.11693	7.3
142.07791	6.3
143.08578	17.6
145.06479	3.0
145.10117	29.5
147.08025	5.2
147.11684	11.2
149.09642	13.1
151.11115	2.8
153.09023	3.8
155.08623	3.8
156.09224	4.0
157.10117	31.8
159.11707	26.3
161.09596	9.8
161.13269	4.1
169.10152	7.6
171.11702	12.1
173.09656	6.4
173.13246	18.5
175.11224	5.9
179.10716	5.4
181.10146	6.1
183.11662	14.3
185.13208	12.5
187.11220	4.8
187.14825	8.5
189.12675	6.3
192.09193	2.9
193.10170	3.2
193.12219	3.8
195.11688	5.3
197.13319	7.1
199.14830	8.9
201.12837	15.6
201.16357	10.7
203.10619	2.9
211.14734	3.7
213.16479	3.0
214.15317	2.6
215.14433	4.0
215.18008	6.3
219.13884	2.5
221.13211	3.2
225.16356	7.3
233.15317	4.6
243.13849	7.0
243.17432	15.9
245.15428	5.1
257.15073	3.5
257.19086	5.4
261.18533	7.7
265.15964	4.0
267.17346	3.1
279.17313	3.0
279.21002	3.9
284.02927	2.8
285.18549	9.3
303.19476	6.7
307.20551	4.3
309.18805	5.0
309.21988	18.5
323.23703	6.0
333.22098	3.7
351.23206	20.3
351.47101	3.0
369.24301	6.7
393.24146	3.9
411.25183	10.4
471.27280	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2202
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
55.01882	0.2
59.85016	0.2
67.05479	0.3
69.03413	0.8
69.07056	0.3
69.58884	1.4
73.02915	0.2
73.99615	0.2
79.05465	0.3
81.03410	0.8
81.07038	0.9
85.02898	2.1
85.06527	0.4
87.00826	0.7
91.05453	0.6
95.08622	0.7
97.02884	1.0
99.04448	0.4
102.03750	0.3
105.01867	0.6
105.03400	0.3
105.07025	0.5
105.92039	0.2
107.08585	0.4
109.02850	0.6
109.10143	0.4
119.08602	0.5
123.04401	0.5
127.03942	1.4
130.86499	0.2
137.09590	0.3
139.03896	0.4
145.04965	0.7
145.10170	0.3
147.04391	0.3
149.07463	1.0
159.02846	0.2
165.09076	0.5
175.07549	0.5
175.11185	0.2
193.08569	1.0
203.05258	0.5
206.95512	0.2
223.16971	0.8
253.12584	0.3
259.08026	0.5
261.12637	0.3
291.15540	0.2
295.13995	0.4
309.16531	1.0
393.89572	0.2
401.26950	0.2
422.30591	0.3
471.22006	100.0
472.22394	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	471.245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70346	1.0
56.05033	15.8
56.15182	1.0
60.33121	1.1
67.05496	2.2
67.88049	1.2
69.03414	1.9
70.06580	3.4
72.91851	1.0
74.06076	2.4
78.13145	1.1
82.06587	1.1
84.04510	9.5
84.08128	1.1
85.02900	1.8
86.06037	2.0
87.09245	2.6
91.05466	3.3
93.07037	3.1
93.85183	1.1
95.04942	1.1
96.04478	4.4
97.02894	7.2
98.06032	4.3
98.97618	1.3
102.05541	3.0
107.04978	1.3
107.08589	2.4
108.08131	2.8
109.10170	3.2
110.06060	1.9
110.09628	1.4
113.07148	1.5
115.08691	100.0
117.07008	2.2
119.04967	1.2
121.06535	6.7
122.06023	1.4
124.03930	4.6
124.07573	2.1
125.07091	2.9
127.03931	2.1
127.08655	1.3
128.07057	8.5
128.98582	1.3
133.09743	10.4
134.09648	1.4
135.08041	7.0
136.07574	11.1
138.09161	3.5
140.07091	1.3
147.04401	1.4
152.07109	2.4
152.10689	25.5
152.11842	1.8
153.01833	1.8
156.10240	1.8
157.06085	1.2
159.07678	2.0
162.09132	3.9
163.07486	5.8
165.10397	1.2
171.07617	5.6
180.10204	36.6
181.08595	1.6
182.08235	1.4
182.12878	3.8
183.11333	5.3
193.09753	8.9
195.00465	1.2
198.07658	6.5
198.11255	11.3
210.12398	2.4
211.10800	1.3
212.09190	3.3
215.10294	2.0
225.08688	2.6
225.36752	1.2
229.11789	8.8
237.02751	1.4
238.11829	1.3
243.09785	4.9
246.14378	2.2
253.15500	3.3
256.12946	6.5
257.11417	1.3
274.13953	24.0
276.17224	2.0
277.15408	1.6
281.14987	1.2
294.18161	4.4
299.16068	5.6
303.05042	1.6
309.09714	1.3
312.19147	22.6
317.54205	1.3
327.09286	1.5
330.20236	31.6
368.18396	1.4
385.20892	1.3
385.71991	1.3
408.21521	2.5
425.23898	1.3
426.22281	10.6
435.22360	2.1
443.24933	2.8
453.23572	14.0
471.24530	94.6
472.24854	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	471.22
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
56.96556	0.7
60.96636	0.2
67.05459	0.3
69.07072	0.4
70.09465	0.8
70.09869	0.5
71.66189	0.3
81.07038	0.5
85.06554	0.3
95.08595	0.4
97.33336	0.2
98.97581	0.9
109.10169	0.3
116.98611	0.5
119.08595	0.3
128.98549	0.3
134.99553	0.3
161.01234	0.3
199.06387	0.5
217.07480	0.9
219.01759	0.4
219.05275	0.2
235.08630	0.4
237.02843	0.7
241.07404	0.4
243.05383	1.2
259.08054	0.4
261.06528	0.6
267.05328	2.1
285.06458	4.3
303.07535	1.9
309.06384	0.3
309.16714	1.4
327.07483	1.4
369.08624	0.6
387.09628	0.6
411.09579	0.3
416.66296	0.3
433.86691	0.3
471.22006	100.0
472.22433	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	471.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.7
60.82751	0.4
69.44823	4.0
72.04517	1.1
74.00649	1.2
79.05485	0.6
80.05026	0.7
80.32719	0.4
84.04514	4.8
90.05535	1.6
92.01672	0.7
94.06554	0.5
97.01116	1.1
99.02670	0.6
106.06564	6.5
107.07333	0.4
111.02711	0.8
112.02120	0.5
120.08114	0.5
122.69107	0.5
123.02666	0.6
124.02181	1.6
125.02972	3.2
126.05499	2.6
127.05051	5.4
130.04999	1.3
131.07312	9.7
132.08066	1.4
134.06006	1.1
135.02603	1.5
136.02130	0.5
138.03725	0.9
139.04536	3.0
140.05266	3.4
143.49777	0.5
144.06544	1.4
145.06078	1.5
148.07564	0.7
149.02930	2.0
149.08350	5.8
150.09137	6.6
152.10686	1.0
154.06839	0.5
159.07576	0.5
164.05298	6.3
176.65427	0.5
182.06358	100.0
183.06668	1.4
184.07925	1.0
185.03792	1.8
185.06430	0.5
191.04840	10.0
208.07945	6.6
218.11827	0.5
223.53499	0.4
225.10577	3.0
231.04355	3.9
235.08968	1.8
236.07382	7.5
250.33899	0.4
253.10004	3.7
291.11655	1.0
302.08054	0.6
324.13632	0.7
342.11066	0.8
342.14847	10.8
364.13223	0.8
382.14319	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1814
Annotation	Plagiochin A
Peak:m/z	Relative Intensity
56.96566	13.9
57.03429	2.1
67.05491	3.6
68.12479	1.3
71.95267	3.1
79.05482	2.2
81.07055	3.2
84.96037	1.4
91.05463	1.9
93.07047	3.8
95.08594	1.6
98.20747	4.1
98.98441	4.3
102.92602	2.3
105.07033	3.0
107.08572	2.5
121.10180	1.4
122.19241	1.4
128.98647	1.9
128.99872	1.2
133.10187	1.7
133.98882	1.4
135.11716	1.9
136.93130	6.4
136.94014	1.5
137.00015	2.6
141.36636	1.3
146.99677	4.2
154.94162	23.8
155.01091	3.9
165.00684	1.5
172.95230	92.1
190.96277	75.3
195.96884	8.5
208.97327	2.1
210.96751	10.5
212.98399	1.4
213.97928	6.1
216.97910	1.6
228.97836	35.9
229.39598	1.8
230.99530	2.0
233.98553	1.5
246.98935	8.8
251.99519	3.7
317.14084	2.9
317.17880	54.8
318.18365	1.6
328.30280	1.3
329.33133	1.5
333.17532	2.2
335.18909	28.9
335.25644	2.6
358.20865	7.2
397.14682	4.7
411.15936	2.3
424.31812	1.5
453.17078	42.5
471.18243	100.0
472.18420	2.6
494.20081	11.8
495.19220	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
54.65078	0.7
55.01869	1.1
56.96576	4.9
57.03429	2.4
58.06595	1.7
58.92703	0.7
61.02917	2.7
61.03444	0.7
63.95106	0.8
69.03426	6.4
71.04970	1.4
71.13017	1.6
73.02901	3.8
76.07645	0.9
81.03414	3.2
82.06583	0.9
84.96036	1.1
85.02442	0.9
85.02905	13.8
85.06519	0.9
85.07798	0.9
86.06055	1.2
86.07179	0.8
87.04448	2.5
91.03962	1.7
97.02901	8.2
97.07636	1.2
98.03238	0.9
98.97588	11.8
99.04447	2.3
100.07603	2.2
109.02850	1.9
110.97552	1.0
112.99139	7.2
113.00871	0.7
115.02409	1.4
116.07071	1.3
116.98621	7.8
118.08633	2.5
119.01936	5.1
119.02676	0.9
127.00618	0.8
127.03915	4.6
128.98605	3.0
129.04057	1.1
131.00171	11.9
131.01898	3.1
133.01740	0.9
133.03474	12.8
134.99663	3.6
135.03148	1.6
136.07620	1.0
140.03384	0.7
143.00154	1.2
143.01930	2.4
145.01741	1.7
145.03474	2.6
145.04965	2.4
146.99623	2.5
147.03271	1.0
147.05002	3.7
149.01215	11.3
151.04503	3.4
155.01901	3.6
157.03477	4.9
158.99661	2.9
159.03282	1.2
159.05022	6.7
160.05154	0.8
161.01163	1.7
161.02971	3.8
161.05502	1.4
163.02757	2.7
163.04448	0.9
165.00751	0.9
165.06123	1.2
168.51947	0.7
171.05035	5.3
173.01222	4.8
173.02933	5.5
175.02963	1.2
175.04509	3.4
177.00705	3.1
177.04408	1.6
177.06049	4.0
178.04889	9.4
179.01950	1.6
183.05006	2.7
185.02968	2.7
185.06604	1.8
187.04448	1.6
189.00655	1.6
189.04326	1.2
189.06038	2.3
189.55655	1.2
191.02289	5.8
193.03783	2.8
195.05331	1.4
195.07149	2.4
196.15459	0.7
197.02930	4.2
201.00641	1.3
201.04375	1.1
201.06091	1.8
203.02292	1.3
203.04094	1.5
205.03754	1.6
206.02711	1.3
211.04755	3.1
213.05997	0.8
215.07599	1.2
219.01794	4.8
219.07135	15.2
220.07417	1.0
221.05069	8.6
221.06979	1.3
223.04855	1.7
225.06039	0.9
231.07129	13.4
233.03326	0.9
233.08734	2.9
235.05000	0.9
237.02806	13.8
240.57742	1.7
241.05821	1.0
242.07343	1.9
245.05054	12.4
246.05223	1.0
247.04819	1.5
249.06604	0.9
250.06985	1.7
255.04111	1.2
255.07103	5.6
257.05994	1.2
259.06729	1.3
261.08160	1.9
263.06119	1.5
273.08276	5.6
275.04150	0.8
279.03900	0.8
281.05566	1.9
287.79578	0.9
291.09290	1.4
293.05368	3.0
295.06848	1.0
303.10190	3.8
303.60602	0.8
305.10797	1.4
307.07156	1.2
317.10809	0.8
318.10834	3.7
321.10342	100.0
321.60260	7.6
322.10461	10.6
322.60693	2.8
323.10281	6.6
324.10608	2.7
329.09384	1.0
330.08633	0.8
333.11261	1.1
337.07919	16.1
337.58182	1.8
339.11661	10.2
341.11111	1.0
352.10397	0.9
355.09012	10.7
356.09595	1.2
361.77133	0.8
362.13040	0.8
367.08881	1.5
427.11151	3.4
453.14447	1.9
471.09454	1.3
471.25650	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.156
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36041	5.3
82.99816	0.6
84.04984	0.5
97.02865	0.7
98.97572	0.9
101.00864	1.8
103.02435	1.9
108.63649	0.5
109.02917	0.7
112.99147	0.5
115.02417	1.8
116.98604	0.7
119.01920	7.2
121.01704	0.7
121.03503	1.2
129.04031	1.3
131.00189	1.3
131.01915	3.0
133.01711	0.5
133.03464	11.2
137.02959	1.6
139.02650	0.6
140.53201	0.5
141.03947	0.9
143.01877	3.4
145.03429	3.0
147.05019	3.2
149.01224	0.7
149.02969	0.6
151.04507	2.2
155.01884	3.5
156.02625	0.6
157.03490	4.6
159.05016	6.1
161.02969	5.4
162.03084	0.5
163.02687	0.5
163.04417	0.8
165.06071	0.8
169.03500	0.6
171.05058	3.8
173.02957	5.3
175.03055	0.7
175.04529	4.7
177.06108	4.0
179.01936	1.4
183.05005	3.8
185.02937	3.0
185.06522	1.3
187.04547	1.3
189.06104	2.3
195.05505	0.5
195.07132	3.3
197.02911	3.0
197.06514	0.6
199.04585	1.3
201.05997	3.2
203.04022	3.3
203.07545	0.6
207.05055	0.9
211.04550	1.1
213.06194	1.0
217.05609	0.7
219.07124	13.8
221.05049	9.1
223.04791	0.6
225.06036	1.0
231.07138	16.5
233.08711	3.7
237.06284	0.6
243.07228	0.9
245.05061	13.0
245.08730	0.7
247.04749	1.0
255.07167	5.3
259.06610	1.8
261.08215	2.1
263.06024	1.2
273.08197	4.9
277.07724	5.5
295.08731	13.9
300.58438	0.6
303.09210	0.7
321.10291	100.0
322.10327	2.9
339.11417	9.0
362.13040	0.6
429.14746	0.6
453.14603	1.7
469.08755	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19712	1.0
56.96547	1.6
69.42732	0.9
70.03445	4.2
70.06624	1.1
82.45861	0.9
83.80934	0.9
85.02916	2.5
86.09689	1.1
89.62005	0.9
91.05495	2.7
93.07053	5.9
95.04999	2.3
98.97621	1.1
103.05491	3.4
121.06508	100.0
125.13812	1.0
129.05292	0.9
138.09140	28.6
154.63570	1.1
166.66745	0.9
173.50610	1.0
218.73279	0.9
280.86725	1.1
340.19818	1.0
385.36768	1.1
471.07983	1.1
488.19278	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46615	1.3
55.05497	2.3
56.96562	2.5
57.07072	19.3
61.73636	1.4
69.07045	4.3
69.30759	16.6
71.08630	41.4
73.06553	5.5
81.07044	2.5
83.08607	2.8
85.10182	21.1
87.04465	2.6
89.06030	100.0
91.05439	1.7
107.07063	6.1
117.09126	5.5
127.14836	5.4
130.08588	2.4
133.08597	49.2
133.09612	2.4
154.94167	2.6
157.34196	1.5
171.17468	7.7
172.95210	12.1
175.09743	1.7
177.11200	19.3
190.96268	9.0
210.96797	1.7
212.20145	1.5
215.20174	10.4
221.13858	2.8
228.97940	2.4
239.14807	1.9
255.76657	1.5
259.22632	4.9
262.03986	1.5
283.17566	2.2
317.17865	5.0
327.20105	6.6
335.19003	3.9
451.96219	1.7
453.17053	4.6
453.34341	7.7
471.18402	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	471.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.9
55.15370	1.7
69.07056	1.8
69.96418	10.8
70.06582	3.1
71.04993	4.4
72.08157	2.0
77.31796	1.6
77.98111	1.6
79.05525	2.7
81.07036	3.6
83.08588	2.0
85.02895	7.4
97.02903	4.1
98.21461	3.5
100.11247	3.6
106.78799	1.7
111.04424	3.6
115.04695	1.7
137.05981	8.4
137.07018	1.8
139.83978	1.9
153.01852	5.8
159.04300	1.9
169.04739	18.7
182.15413	2.9
187.07594	1.9
198.14943	1.9
206.90593	1.8
208.47662	1.7
210.14951	2.3
303.05151	3.6
319.04636	3.4
324.02316	2.2
325.03183	100.0
361.04037	15.8
366.05688	4.7
379.05148	6.9
411.05753	3.9
417.06573	3.9
444.04871	2.1
471.09079	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91307	0.4
53.00296	0.4
53.03934	1.4
55.01866	0.6
56.05040	2.7
58.12511	0.4
60.61884	0.4
61.02924	0.5
67.05505	0.7
69.03417	1.3
70.06582	1.0
70.73779	1.3
72.04497	0.5
72.08142	0.7
74.06027	0.6
80.05006	0.9
80.50654	0.5
81.03419	3.4
82.06542	0.6
84.04530	1.2
85.02901	2.4
87.09214	0.8
91.05476	1.5
94.06557	0.7
96.04466	1.2
97.02892	3.1
98.06026	1.1
100.07638	0.5
102.05541	1.5
105.07034	0.6
108.08121	10.4
109.02814	0.5
110.06037	1.9
112.45160	0.5
113.07157	0.5
115.08689	18.5
116.07102	0.6
122.06057	0.6
122.09642	1.0
123.04401	1.5
123.32084	0.5
124.03958	1.0
124.50066	0.5
124.72890	0.5
125.07096	1.4
127.03895	0.7
128.07120	2.7
130.05020	0.6
133.02864	0.6
133.06499	0.7
133.09714	4.1
134.06021	0.6
136.07579	34.4
137.07912	0.7
139.03902	17.9
149.05998	0.7
150.09122	1.7
151.03909	1.5
152.07091	0.6
154.08630	100.0
155.09009	1.6
163.03940	1.7
169.04984	1.1
171.07643	1.8
178.08681	1.0
181.04919	1.1
182.12891	1.4
182.39134	0.5
183.11266	2.0
193.09746	2.3
195.40373	0.5
196.09689	72.0
197.10059	1.4
198.07635	2.3
205.04958	0.7
210.12331	0.9
211.10768	0.9
212.09193	0.7
215.10439	0.6
225.08781	1.5
229.11865	2.2
243.09752	2.0
244.06422	0.5
256.12991	1.7
274.13983	11.0
289.07108	0.8
297.14566	0.6
307.08173	0.5
310.17566	4.9
328.18661	8.5
424.20782	2.7
441.23364	0.7
451.22186	1.1
469.12982	1.2
469.22986	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	469.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78616	20.6
56.97552	16.7
67.05488	23.7
70.22018	20.4
70.22315	100.0
73.25204	16.8
73.77856	18.7
76.04964	17.5
79.06068	20.8
80.69666	20.6
81.07026	36.3
82.45592	18.5
89.73188	17.1
91.05467	22.4
107.08572	20.5
109.10136	24.6
119.08620	21.8
161.13237	26.0
207.31885	21.5
229.19528	23.1
245.25121	21.5
276.76410	19.7
403.42032	19.9
409.34692	62.8
451.35358	24.7
469.22549	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	469.168
Annotation	PRIM-O-GLUCOSYLCIMIFUGIN
Peak:m/z	Relative Intensity
70.90055	2.4
78.57569	1.3
83.01077	2.2
91.05459	0.9
92.21328	1.0
95.01097	1.7
97.72480	0.9
113.02122	2.3
123.04460	1.9
136.61858	0.9
139.03880	1.9
167.48648	1.0
185.04291	5.2
201.03674	1.7
232.07077	14.4
233.07700	1.2
259.07947	2.8
275.09113	1.3
291.60419	1.1
339.07053	1.3
432.53293	1.2
438.14932	1.7
439.15527	2.1
469.16861	100.0
470.17178	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	469.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29696	0.9
53.03959	4.6
55.01860	1.6
55.05500	3.5
57.03432	2.1
59.64293	0.9
62.43669	1.0
69.03425	13.1
69.25864	5.6
69.26298	5.7
69.44024	0.9
71.04984	4.4
74.32671	1.0
79.05506	1.0
81.03416	24.9
81.07058	6.0
81.57366	1.1
83.04969	4.2
83.08621	1.5
85.02908	2.8
97.02872	1.7
98.09675	2.8
98.97557	1.0
99.04449	9.0
99.08109	1.5
100.07630	1.8
100.10688	1.0
100.11249	6.3
103.03928	3.1
103.05447	1.0
107.04943	3.5
109.02872	9.8
111.04427	3.8
116.10696	2.4
117.05478	3.0
118.06516	3.2
123.04436	4.4
127.03940	3.2
131.04948	1.5
133.85680	0.9
145.07599	3.1
147.04446	1.0
147.09161	9.7
149.05975	1.4
150.96890	1.5
151.03957	1.0
153.01871	1.4
158.97377	2.7
159.51013	0.9
163.07474	1.3
165.05450	6.8
173.07120	10.8
174.96878	1.2
175.08658	11.3
176.98457	2.0
177.05495	2.3
182.15395	5.8
190.07242	1.4
191.08154	100.0
192.08450	1.8
198.14854	5.4
200.98460	1.7
209.16414	1.5
210.14864	7.9
216.22446	1.0
221.02541	1.8
226.14351	4.5
227.17595	1.3
233.09148	1.0
234.99063	1.5
237.02068	1.4
239.03654	1.8
244.20268	2.1
258.98868	1.2
271.10760	2.0
277.00098	2.3
281.04776	1.5
289.11877	8.8
303.04886	1.4
305.05173	1.7
307.12878	38.1
308.12994	1.3
317.10239	1.5
325.13940	33.2
325.25012	1.6
326.14124	1.1
331.12866	8.2
337.21167	4.2
349.14050	5.5
354.23718	3.6
371.15790	2.2
383.07886	2.2
389.17056	3.7
397.14066	7.0
415.14990	7.8
433.16095	7.1
451.17261	6.9
451.32672	1.8
452.31073	3.3
469.34021	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	469.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
62.25951	0.9
69.37077	5.1
69.37517	4.5
71.62221	1.0
75.63013	0.9
77.57513	0.9
81.03410	1.4
82.99824	1.3
94.93008	1.1
94.99850	1.2
101.00869	10.2
109.02859	1.8
113.00845	1.7
115.02452	1.0
119.01921	44.1
120.02056	1.1
123.51475	1.1
127.02411	1.5
131.01910	16.0
133.03459	1.8
137.02940	10.1
143.01897	28.4
145.03458	12.9
147.01392	1.7
149.02998	2.4
155.00760	1.6
155.01888	13.0
157.03447	8.3
161.02954	74.8
162.03111	1.6
163.04527	2.1
167.01860	5.3
169.03450	3.8
171.05023	3.1
173.02959	34.0
174.03070	1.3
175.04454	2.4
179.01935	1.6
179.04094	2.3
184.04503	1.2
185.02948	40.0
186.03197	1.8
187.00862	1.4
187.04491	6.4
191.03972	6.1
195.64459	0.9
197.02945	14.1
199.04410	1.3
203.04004	24.5
205.01909	9.8
205.05486	1.0
205.07388	1.4
207.45813	0.9
209.02924	1.4
215.04025	10.3
221.05093	8.3
223.03008	2.0
227.04044	8.1
233.05083	2.3
235.02966	3.1
245.05061	100.0
246.05289	3.8
246.52208	1.0
247.02979	2.1
257.04974	4.9
263.06140	26.3
265.03940	2.0
275.06018	11.3
289.04172	2.0
293.07086	4.8
305.07080	8.6
307.05042	5.9
315.27966	1.0
325.06271	1.3
335.08224	2.9
352.82419	1.1
365.09406	2.5
469.10654	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87044	1.5
55.05500	4.5
57.03443	2.5
57.07077	79.9
58.07405	2.1
62.06089	9.2
63.39052	1.6
67.05507	5.9
69.07060	8.3
69.41523	3.5
69.41928	11.8
71.08634	54.9
73.06549	3.4
81.07058	5.2
83.08622	6.3
85.10186	33.4
87.04498	2.0
89.06032	100.0
95.08607	6.1
95.33279	2.1
96.09014	1.7
97.10175	6.9
98.98468	11.7
99.11726	13.4
107.07075	5.0
109.10147	7.4
110.10513	2.0
111.11709	5.8
112.90968	1.5
113.13303	5.9
117.09142	2.2
120.61648	1.6
125.25463	1.5
130.08655	2.4
131.07092	2.1
133.08601	58.0
135.10168	2.0
151.09550	1.7
155.01031	9.4
156.01405	2.0
177.11220	20.3
195.12254	6.2
213.22121	2.1
221.13869	3.1
232.22981	1.8
239.14908	3.5
257.24725	4.6
260.85742	1.5
283.17462	24.8
296.29495	4.2
301.27313	4.1
313.27487	2.6
314.27747	15.1
327.28885	33.4
451.36325	17.7
468.38281	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	468.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68684	1.3
55.05510	3.9
57.07077	70.0
57.96392	1.6
67.05502	6.2
67.88133	1.4
69.07092	7.7
69.87749	1.5
71.04000	4.0
71.08630	53.6
73.06564	4.8
74.30125	1.6
81.07063	2.8
83.08625	3.1
85.10187	35.2
87.04460	1.9
89.06031	100.0
95.08598	3.9
96.08970	1.8
97.10172	6.2
98.98474	6.1
99.11734	6.3
107.07088	5.3
109.10162	5.1
110.10458	2.4
111.11716	4.7
113.13278	5.7
117.09126	2.2
130.08659	3.8
133.08601	61.8
155.01050	8.5
169.19476	3.1
177.11221	20.2
195.12334	5.5
210.49574	1.7
221.13771	1.9
239.14928	4.1
241.79720	1.6
257.24799	4.3
275.54620	1.8
283.17538	26.0
301.27298	2.0
313.27444	2.5
314.27753	11.0
327.29016	2.7
341.71396	1.7
451.36307	17.9
468.38440	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	469.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	4.3
56.96557	5.4
57.60210	2.9
69.34899	33.3
70.06586	7.1
72.08160	5.1
84.08148	100.0
85.02891	3.5
85.08480	4.6
86.09681	6.8
90.50401	3.1
91.05505	3.2
97.02887	9.2
98.09673	3.5
98.21430	7.9
98.97590	6.1
101.00888	8.6
110.07159	5.9
116.07077	7.4
116.98622	3.7
119.01921	49.6
121.01635	4.7
127.03913	3.9
130.08646	70.4
131.01913	24.4
131.08932	6.3
133.01718	4.0
133.03465	9.3
134.99675	5.3
136.07578	12.8
137.02954	13.7
137.05972	7.9
139.03828	3.8
143.01848	18.1
145.03482	20.3
145.04504	3.7
149.02940	10.7
155.01915	21.2
157.03433	16.8
159.05051	6.8
161.01541	6.2
161.02948	90.9
162.03049	5.9
163.04530	7.1
167.01932	4.4
169.03511	9.0
170.06631	5.3
171.05054	9.5
172.27353	3.5
173.02948	61.8
175.02718	4.3
175.04503	9.3
182.08115	4.2
184.04492	7.7
185.02943	38.2
186.06169	6.2
187.04472	7.1
189.06047	6.3
190.99158	3.3
191.04071	7.1
196.04488	5.6
197.02905	17.6
198.06071	6.5
199.02805	5.1
199.04576	4.4
203.04002	22.3
203.12363	6.4
205.01929	5.8
209.02997	4.0
215.04030	17.0
217.05551	4.6
219.07802	4.3
221.05057	22.7
222.06133	5.7
227.04031	10.4
233.05013	6.7
234.09790	4.0
237.02759	10.2
239.04041	3.8
245.05096	95.8
246.05344	7.5
257.05035	7.3
261.08224	5.7
262.09430	4.8
263.06192	21.0
265.06198	3.7
275.06183	22.1
277.07880	24.0
278.17102	8.0
279.09222	10.5
280.10281	4.1
288.09387	4.9
291.09290	4.2
293.07330	3.9
305.07132	11.3
306.09988	4.4
307.04892	5.3
307.08383	5.7
312.07483	3.4
315.35373	3.2
321.10287	7.0
323.10211	4.6
330.58810	3.5
339.78680	3.7
340.06418	8.5
340.12427	15.8
340.17020	10.4
358.02158	3.6
358.18100	10.1
365.09186	6.4
409.11548	5.0
469.12823	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	29.6
69.03411	22.0
69.07059	19.3
71.02933	26.7
71.03275	19.0
74.18826	12.4
79.05469	19.5
79.51981	13.2
81.07050	56.8
84.08098	15.8
86.09727	12.2
89.97079	12.0
91.05471	23.0
93.07027	59.9
95.04942	26.1
95.08590	30.1
97.06498	20.3
105.06982	20.4
107.04949	26.5
107.08605	26.5
109.06510	17.5
109.10155	14.3
119.08609	26.5
121.06481	43.9
122.06055	14.3
123.04428	28.6
124.07584	15.6
127.07520	14.3
131.04893	13.0
133.10147	16.7
136.07521	13.7
137.05952	28.7
139.07471	19.1
139.39073	13.6
148.07661	13.9
154.08598	32.6
157.10153	18.0
174.09123	13.4
175.11172	24.2
193.12201	16.5
198.07597	14.8
211.13342	20.4
217.12257	49.6
226.11031	24.1
235.13249	87.0
239.11836	41.4
253.14345	100.0
287.13989	40.8
288.09616	16.9
299.13849	24.8
327.13486	65.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3084
Annotation	Buprenorphine
Peak:m/z	Relative Intensity
56.05025	1.1
56.70927	0.4
57.03432	0.7
57.07070	3.7
58.06599	1.3
59.07349	0.4
60.08163	15.1
67.05505	1.1
69.07064	1.1
70.06573	0.4
70.51360	1.2
71.07375	6.4
71.08624	2.6
77.27744	0.3
81.07056	1.3
85.10166	0.6
86.09704	48.8
95.08595	1.5
98.98463	3.5
104.10741	100.0
105.11120	0.5
125.00002	26.9
143.01050	0.7
157.46353	0.4
166.98582	0.4
184.07335	95.1
185.07677	0.6
198.13646	0.4
234.21254	0.5
251.74980	0.4
258.11163	1.5
285.24210	2.0
312.34851	0.4
317.86304	0.4
370.99448	0.4
391.22769	0.7
450.29755	7.4
468.30890	20.9
469.31302	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03469	0.8
55.01859	0.4
57.03435	1.1
57.07074	1.1
59.58770	0.4
67.05502	0.5
69.03421	0.7
69.60229	2.3
69.60643	0.9
70.06591	100.0
71.06921	0.8
79.05477	0.4
81.03400	0.7
81.07069	0.8
85.02911	1.4
85.06543	0.7
91.05497	0.7
93.07046	0.7
97.06542	0.4
104.77832	0.4
106.46525	0.3
109.06564	0.5
121.28008	0.4
133.06566	0.4
137.06020	0.4
139.03868	0.4
143.08569	0.6
147.04428	0.5
151.03934	0.4
157.06540	0.5
161.06015	0.7
161.09616	0.5
171.08061	0.6
177.05486	0.7
183.08038	0.6
185.06020	1.1
185.09622	0.4
189.05545	0.5
189.09007	0.5
198.39879	0.4
199.07521	0.6
201.05475	0.9
201.09131	0.9
203.07050	0.5
213.09116	0.9
215.07097	0.4
215.10754	0.7
225.09236	0.6
227.10690	1.7
229.08623	1.0
230.09435	0.6
243.10165	4.7
249.11240	1.1
250.99043	0.4
255.10117	2.0
261.11194	5.9
267.10007	0.8
269.11816	0.7
273.11197	5.2
285.11148	0.8
291.12268	2.2
293.11713	0.7
297.11270	1.2
303.81683	0.5
309.11166	2.6
311.12814	0.5
315.12344	3.4
317.13992	0.4
321.11191	1.2
327.12231	4.6
339.12344	2.6
348.18073	1.6
357.13397	2.2
375.14386	2.1
381.15518	1.3
393.15433	4.7
399.16849	0.5
411.16513	1.2
447.53296	0.4
450.21207	6.5
468.22296	33.7
469.22693	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.223
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03468	0.5
55.04254	0.8
55.05505	0.7
57.03423	0.9
57.07081	0.7
58.06597	1.8
60.37427	0.4
67.05496	1.5
68.99825	0.4
69.03428	1.4
69.07059	0.7
70.06592	100.0
71.06915	0.7
71.13253	0.5
71.13586	0.9
73.02971	0.4
81.03409	0.9
81.07055	1.5
85.02889	2.1
85.06551	2.5
86.09706	0.5
91.05479	1.1
93.07027	0.7
93.19184	0.4
95.04965	0.6
95.08594	0.4
97.02893	1.2
97.06538	0.7
101.94581	0.4
105.07043	1.0
107.04943	0.6
107.08554	0.5
109.06519	1.0
109.10127	0.5
119.08652	0.4
123.04437	0.7
127.03938	0.5
127.07564	1.1
131.05017	0.4
133.06506	0.8
135.04417	0.5
137.05971	1.2
138.09151	0.5
139.03920	1.1
142.07817	0.6
145.10097	0.5
147.04454	0.8
147.08014	0.9
147.11763	0.5
148.05174	0.5
151.07594	0.4
157.10146	0.9
159.08101	0.6
161.05971	5.2
161.09634	1.3
162.06427	0.4
162.36766	0.4
163.03946	0.8
164.04735	0.5
165.05434	1.1
167.07059	0.5
175.03896	0.8
175.07585	1.0
175.11171	0.6
177.05487	0.9
185.09590	1.2
187.07626	0.5
189.05461	0.7
189.09082	2.4
191.14551	0.4
198.06700	0.6
202.06224	1.0
203.06993	0.6
203.10683	3.9
213.09149	1.2
221.08263	0.5
231.10156	17.1
231.56960	0.5
232.10416	0.5
249.11226	29.3
250.11571	0.9
306.16995	19.4
307.17352	0.9
468.22284	44.7
469.11230	1.5
469.22711	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	467.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	13.0
57.03442	1.8
57.07073	34.7
59.04988	3.8
65.03931	2.3
67.05502	100.0
69.07053	10.0
70.03358	6.1
70.03777	2.9
71.04984	2.6
71.08634	23.9
72.09872	1.6
79.05480	3.7
81.07055	28.2
83.03221	1.8
83.08618	16.5
85.06538	3.4
85.10188	15.0
91.05479	5.6
93.07046	2.8
95.08598	24.4
97.10161	5.0
98.21397	2.3
106.33442	1.7
107.08620	1.9
109.10153	72.4
111.08100	3.1
119.08607	4.6
123.11700	5.1
137.09610	5.6
137.13298	2.3
155.10701	2.9
173.11728	27.3
177.50159	1.6
203.39836	1.6
210.02902	1.4
239.23727	8.8
445.86548	1.6
467.37347	60.4
468.37811	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	467.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27253	2.4
55.05518	3.4
57.07071	17.6
58.55524	2.5
69.61061	8.1
69.61487	13.0
71.08631	21.2
73.06538	4.0
78.97109	2.5
83.08622	5.6
85.10180	26.5
87.04466	4.6
89.06030	100.0
89.93041	2.4
89.93803	2.9
98.20678	2.6
100.34067	2.5
107.07095	6.0
112.08188	2.6
117.09136	3.8
133.08626	35.8
141.16393	4.2
141.77240	2.5
177.11177	6.2
260.61844	2.9
367.20526	3.3
433.91675	2.9
467.37958	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	14.3
57.03436	3.0
57.07076	47.6
59.04971	3.7
65.03940	3.7
67.05504	100.0
68.05836	2.5
69.07065	9.6
71.05009	2.7
71.08628	25.9
73.43806	2.5
81.07059	24.6
83.08601	14.5
85.06580	3.4
85.10189	12.6
88.88837	2.0
91.05482	7.3
93.06993	2.6
95.08593	25.7
97.10177	5.4
98.21559	3.1
109.10150	85.6
119.08552	2.9
123.11743	4.6
137.13312	2.9
146.06036	3.2
155.10657	2.9
173.11737	26.0
188.07120	3.0
205.09772	2.6
215.31706	2.6
239.23665	8.1
362.97574	2.2
369.82220	2.8
458.32294	2.6
467.37320	59.8
468.37201	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	467.1887
Annotation	3',5-Dihydroxy-3,4,4'-trimethoxybibenzyl-5-O-glucoside
Peak:m/z	Relative Intensity
52.77208	0.5
69.03413	2.3
70.64270	2.0
79.01861	3.9
79.55738	0.6
81.03423	3.2
85.02894	2.3
95.52579	0.5
97.02910	1.5
107.01332	1.1
109.02861	2.2
119.08664	0.8
125.02312	2.9
127.03921	2.2
139.03894	1.3
142.84460	0.6
143.03413	6.5
143.15240	0.6
153.01825	100.0
154.02138	3.4
171.02885	0.9
185.04257	2.1
279.14502	0.6
287.12543	8.8
297.06061	2.8
305.02933	4.1
305.13586	65.5
306.13989	1.7
315.07257	1.1
323.13480	1.3
449.16260	3.0
467.18884	78.4
468.19254	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64876	1.2
51.56527	1.2
55.05502	4.5
57.03432	11.8
57.07074	38.3
57.66247	1.3
59.71872	1.3
67.05501	17.6
69.07072	7.7
70.99454	3.3
71.08628	27.0
76.46767	1.3
81.07050	14.9
83.08617	8.2
85.10188	13.4
89.06026	1.4
90.66522	1.1
93.07040	2.3
95.08598	19.0
97.10135	6.3
98.98465	49.4
98.99126	2.5
99.11782	1.9
109.10148	14.7
116.99516	2.8
123.11707	3.8
136.99969	3.1
155.01038	53.4
168.66730	1.4
173.11690	1.6
193.02617	2.3
197.99275	1.5
198.02544	1.3
208.93066	1.2
211.03665	1.8
230.89355	1.5
239.23637	6.1
313.27356	100.0
449.26636	12.2
467.37131	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	467.082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.5
53.03939	0.4
55.01881	0.4
57.03417	0.3
69.03425	2.9
69.65111	0.7
69.65536	1.4
71.04986	0.3
72.08145	0.3
79.01851	4.0
81.03415	4.9
84.04538	0.2
85.02905	2.3
89.19828	0.3
97.02891	2.5
99.04441	0.6
107.01314	1.0
109.02876	2.1
116.98547	0.3
120.08160	0.4
122.91541	0.3
122.92442	0.3
125.02347	3.1
127.03922	2.5
139.03883	0.4
143.03395	6.9
153.01826	100.0
154.02196	0.8
171.02853	1.3
191.03452	0.6
211.08640	0.2
237.04018	0.6
250.45290	0.3
297.06033	5.9
305.02872	3.2
305.05948	0.4
305.14963	0.3
315.07062	2.0
440.83844	0.3
449.07150	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87100	0.4
52.16687	0.5
53.03936	0.6
55.01863	1.1
55.05494	0.6
65.03941	1.0
67.05511	0.8
68.41283	0.4
68.99781	0.9
71.25496	0.8
79.05523	0.5
81.07034	0.6
83.04947	0.5
85.02914	0.7
89.03915	1.8
93.03384	0.7
95.04942	0.9
95.08626	0.5
100.96585	0.4
101.10348	0.5
103.36589	0.4
105.07060	0.6
110.44251	0.4
111.04446	5.5
114.09168	0.6
117.03376	3.9
119.04928	0.8
121.10213	0.5
123.04430	16.9
123.05334	0.8
133.88138	0.5
135.04436	0.5
137.06020	0.5
139.03900	100.0
140.04240	1.2
145.01755	0.7
145.02856	9.4
147.04387	2.1
149.05971	1.8
151.03896	2.3
154.50459	0.5
163.03938	1.1
177.05470	17.3
182.15459	0.5
191.03438	0.8
271.05936	0.6
273.07611	2.8
299.08755	0.5
467.22458	0.6
483.95102	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.6
53.92325	1.5
55.05507	5.1
57.03436	5.7
61.02921	2.1
67.05500	20.5
69.03429	2.8
69.07066	6.6
71.04971	1.5
74.17316	1.4
79.05491	10.5
81.07052	27.5
83.04978	2.9
83.08620	4.7
85.02898	6.8
91.05460	8.0
93.07052	16.2
95.04955	3.5
95.08603	8.7
97.02873	2.0
97.06525	5.1
105.07031	3.7
107.08604	10.6
109.06503	2.2
109.10157	2.7
111.08096	2.2
113.00571	1.4
116.41154	1.6
117.06952	3.0
119.08545	1.9
121.06577	2.5
121.10150	6.9
123.04436	2.3
128.06332	1.3
131.08565	4.7
133.10133	2.8
133.27681	1.7
135.11671	3.5
137.05965	3.2
139.03896	1.9
145.06462	1.9
146.20168	1.7
149.13254	13.3
151.03949	1.4
159.11694	6.6
162.11278	1.5
172.17050	1.4
177.12758	5.7
195.13811	5.3
269.17480	100.0
270.17825	3.1
274.92798	1.7
304.05286	2.2
319.53958	1.7
466.19839	2.3
467.22708	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	466.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64367	12.8
52.08095	10.9
57.07078	21.6
62.79961	10.5
64.44830	12.8
68.73803	12.3
69.29230	100.0
69.29650	42.2
89.06033	44.1
116.14241	13.6
133.08609	17.0
141.82297	13.3
142.28238	12.9
146.97066	14.1
164.95815	13.8
300.88535	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	466.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	9.5
57.03436	8.7
67.05510	26.1
69.03423	7.9
69.07054	12.0
71.04974	3.2
79.05489	12.8
81.07048	40.3
83.04967	4.7
83.08628	5.1
84.08175	3.5
85.02893	9.4
91.03899	3.4
91.05466	6.6
93.07042	25.4
95.04958	2.8
95.08607	12.1
97.02877	6.3
97.06530	7.7
98.20726	5.9
99.04398	3.0
100.11243	8.2
107.08595	15.8
108.03577	2.6
111.08035	3.6
115.03906	4.4
119.08587	3.5
121.10152	9.6
123.04458	2.5
131.08502	3.5
133.04991	5.2
133.10123	3.8
135.11702	6.0
137.06029	3.3
137.13242	3.5
140.10785	2.9
149.13243	17.3
153.01825	3.1
159.11690	7.6
177.12872	2.8
179.14485	2.8
195.13777	9.4
269.17465	100.0
273.95612	2.7
312.05722	3.9
367.45383	3.2
380.78534	2.9
448.23843	3.2
466.11896	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	466.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92698	2.3
55.05509	5.1
57.03436	3.7
67.05505	20.8
69.07053	6.9
70.66016	5.9
73.73427	2.4
79.05491	9.5
81.07058	26.7
83.04997	3.2
83.08617	6.8
85.02888	4.3
85.06564	3.7
91.05479	6.2
93.07045	21.3
95.08611	7.8
97.06522	4.0
100.51070	2.8
105.07030	4.2
107.08593	9.2
111.08134	3.5
117.07028	2.7
121.10143	6.8
122.62481	2.6
127.05691	2.5
135.11679	3.1
137.05971	3.5
149.13242	17.1
159.11690	7.0
177.12747	5.7
195.13792	8.8
263.89514	2.9
269.17496	100.0
466.11893	3.5
480.05267	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68978	0.6
55.01860	6.4
55.05505	1.9
58.99584	1.5
60.04513	0.7
67.05509	6.5
68.05569	0.5
69.03423	2.3
70.18197	2.9
76.02225	2.9
79.01845	1.0
79.05489	1.1
81.03390	1.6
81.75959	0.6
85.02907	6.3
85.36858	0.6
86.99055	1.2
91.05489	3.4
93.07028	1.3
95.04966	5.1
95.08604	1.3
97.02869	1.8
100.02211	3.3
105.00076	2.2
105.07032	1.7
107.04914	0.7
109.02917	0.8
109.10171	1.0
111.04448	8.9
113.02363	2.6
113.44614	0.6
117.07026	0.7
119.08565	3.9
122.02728	23.6
123.04426	100.0
123.08002	3.1
124.04797	1.5
125.02397	1.0
127.03919	1.0
129.06978	1.0
137.02325	1.4
137.05945	1.8
137.09650	0.6
139.03931	0.9
141.05489	1.8
143.03432	2.1
146.02696	2.9
147.04425	0.7
147.08057	6.9
149.06038	0.7
153.00572	1.1
153.01826	22.9
153.02812	0.9
154.02180	2.0
158.02737	0.7
163.03976	0.8
164.03748	1.3
165.09116	34.2
167.06995	0.6
171.02917	0.7
183.10161	43.1
184.10283	0.8
188.03839	0.8
200.03735	0.7
222.09186	0.7
223.07571	0.8
230.05122	1.0
248.06004	1.3
268.09686	1.2
284.07782	2.7
286.10861	0.8
297.06119	1.3
303.04993	6.7
304.05319	13.8
304.11996	6.6
305.05820	1.4
406.18536	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74234	1.4
55.05507	3.6
57.07074	55.5
63.58948	1.4
64.64427	1.2
67.05505	3.7
67.68275	1.5
69.07070	7.2
69.42617	2.7
69.43024	10.2
71.08630	52.3
73.06558	2.9
76.98392	1.2
78.49963	1.3
79.59096	1.4
79.76982	1.2
81.07050	2.5
83.08624	5.4
85.10180	28.4
87.04485	2.8
89.06030	100.0
89.62398	1.2
97.10175	3.8
99.11739	4.9
107.07072	4.6
109.10152	1.9
111.11714	2.3
113.13290	3.8
117.09052	2.0
125.13266	1.7
127.14823	3.0
130.08607	2.2
130.44710	1.5
133.08595	48.4
146.06015	2.3
159.09143	2.1
177.11217	14.5
188.07132	4.3
195.12288	3.1
205.09793	1.6
239.15016	1.8
283.17627	7.6
303.05112	2.0
378.96500	1.4
465.36246	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.5
53.05389	2.0
55.01860	7.5
55.05515	36.4
57.03439	23.3
57.07055	3.0
60.04514	5.4
65.03933	7.3
67.05505	100.0
68.05820	2.1
69.03407	7.9
69.07069	27.6
69.45238	2.1
70.21499	4.7
70.21896	5.1
70.82727	2.3
71.01344	4.4
71.05003	12.1
71.05306	2.3
79.05493	94.6
81.03419	63.4
81.07061	67.3
83.04981	23.9
83.08620	28.9
85.02906	30.9
85.06521	6.4
91.05484	62.3
93.07044	91.8
93.07630	5.1
95.04968	61.2
95.08154	2.7
95.08624	27.8
97.02871	4.6
97.06525	21.1
97.10152	17.2
99.08092	3.6
103.05432	2.3
105.07038	34.0
107.04936	9.4
107.08601	50.9
109.06499	8.2
109.10151	14.1
111.04455	5.1
111.08091	12.5
113.05953	2.7
115.05498	2.7
117.07020	15.9
119.08576	32.7
121.02770	2.4
121.06499	10.7
121.10130	13.8
123.04443	3.1
123.08040	4.8
123.11690	3.9
125.09619	6.2
128.06177	3.4
129.07007	16.0
131.08583	17.9
133.06467	6.7
133.10156	17.1
135.08060	4.7
135.11693	54.8
137.05975	5.6
137.09583	5.1
139.03880	9.3
140.10710	4.0
141.06955	3.3
141.10982	2.7
142.07756	4.2
143.08604	5.0
145.10141	18.7
147.08112	2.3
147.11691	16.9
149.09604	8.2
149.13202	2.9
153.01750	2.2
157.10109	16.9
159.11671	3.7
161.05917	2.4
163.03897	13.7
163.11156	10.5
165.12790	6.1
173.13313	2.7
175.11183	18.1
181.12216	8.5
193.12239	63.5
211.13297	59.5
214.41885	2.6
229.05270	2.5
255.15903	5.3
257.04425	8.9
258.05237	3.7
267.15878	7.1
289.17200	2.5
303.05127	11.8
310.21188	2.6
315.16006	6.3
323.09003	3.2
329.20914	10.9
345.24017	2.3
347.22006	3.4
355.22552	4.4
373.23706	12.4
403.24734	2.6
411.32962	3.3
429.34039	7.8
447.10822	2.5
447.17856	4.2
447.27237	7.4
456.08179	2.2
465.11676	13.5
465.18188	4.2
465.28464	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	465.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	11.3
55.05513	24.5
55.67318	1.7
57.03437	12.8
57.07068	7.2
58.07488	2.1
67.05502	10.8
69.07071	26.9
69.94762	6.4
69.95179	4.1
71.08631	5.7
73.02922	10.3
79.05499	5.6
81.07048	7.9
82.75777	1.6
83.08622	19.1
85.10213	2.3
91.05481	3.5
93.07040	7.3
93.56886	1.7
95.04975	2.0
95.08616	7.5
95.78704	2.0
97.06538	3.8
97.10142	12.8
98.20860	2.1
98.98470	48.9
98.99113	2.9
107.08613	5.3
109.10154	4.8
111.08128	2.8
111.11711	3.0
116.99538	2.0
121.10170	9.3
123.11725	4.1
126.84192	1.8
129.05470	4.5
135.11700	4.4
136.99927	2.1
137.13298	2.1
149.13245	2.2
155.01044	40.6
229.04707	2.1
237.22220	7.8
303.04745	4.0
311.25815	100.0
312.26089	3.8
332.64172	2.0
344.62411	2.0
447.25204	14.6
457.89859	1.9
474.88425	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2494
Annotation	Chagreslactone
Peak:m/z	Relative Intensity
53.03947	7.0
55.01865	6.6
55.05506	38.4
57.03422	12.6
57.07068	6.3
67.05503	92.4
68.05830	12.7
69.03421	5.8
69.07079	35.9
71.04984	10.7
71.58885	7.2
79.05492	62.1
80.05802	5.8
81.03410	15.2
81.07059	100.0
82.07381	9.0
83.04967	12.4
83.08609	20.4
85.02920	5.0
85.06561	4.6
91.05475	60.8
93.07037	83.9
94.07369	11.8
95.04958	24.2
95.08588	41.3
96.08905	7.3
97.02877	7.7
97.06520	14.9
97.10177	12.1
99.08099	8.4
100.75950	4.0
105.07028	38.7
105.54514	4.4
107.04948	4.9
107.08590	41.5
108.08913	5.2
109.06496	7.6
109.10153	44.9
110.95703	4.4
117.07004	12.8
117.78483	3.9
119.08549	11.9
121.06483	5.1
121.10149	23.2
123.11681	7.5
125.02384	8.5
125.09647	3.9
127.03924	4.7
129.06999	4.8
131.08571	15.1
133.10138	50.4
135.11714	18.0
137.02298	20.9
137.06017	6.3
139.03900	17.5
145.06494	6.4
145.10152	6.3
147.04382	12.5
147.11697	9.3
149.13229	24.6
150.13622	10.2
151.11201	23.7
153.01811	6.2
157.10098	6.1
159.04396	12.4
159.08109	5.4
159.11743	10.4
161.06017	7.8
165.01807	28.9
165.05466	9.3
166.59454	4.4
167.19933	4.1
168.65820	3.9
169.12248	5.4
175.03880	7.3
177.12776	4.3
179.03427	8.0
181.01320	71.0
183.02885	72.3
187.07545	5.6
189.05525	6.3
191.03387	14.4
193.04990	10.6
193.12283	8.0
195.02844	6.8
201.05412	5.7
205.05003	27.2
207.02939	6.3
211.13243	7.7
213.05458	6.7
220.48532	4.8
227.07065	5.7
229.04976	7.3
230.05731	4.8
231.06607	10.0
236.71718	4.7
243.06447	7.9
253.14365	25.7
257.12045	5.1
261.11276	5.7
275.12802	9.9
293.21112	10.4
299.12762	7.5
303.05051	24.3
308.29767	5.0
311.12756	4.9
313.14273	7.2
329.13849	5.4
338.19516	4.2
373.23700	5.1
393.20795	6.4
411.21674	38.0
412.21652	5.5
413.80463	5.0
429.22418	18.6
465.28647	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	465.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.7
62.25743	1.7
63.00973	1.6
69.03411	2.2
70.21330	6.5
71.04990	3.0
73.02900	2.6
77.27421	1.4
79.05482	2.4
81.07056	2.5
85.02892	7.5
91.05469	3.5
97.02873	2.4
107.04945	2.6
109.02861	2.2
119.08501	1.9
121.10161	1.7
124.03815	1.5
128.06221	1.8
129.07016	8.6
131.07690	1.5
131.08525	8.2
137.05968	5.3
140.04755	1.8
141.06966	7.3
145.06436	2.4
147.04321	2.0
153.01752	4.3
157.06432	5.5
158.07272	4.1
159.08023	7.3
163.07495	2.4
167.07051	4.6
169.06467	4.9
170.07278	2.8
170.85858	1.8
174.06744	21.4
175.07529	3.9
186.06779	6.3
189.09094	30.1
191.10611	3.1
199.14738	2.2
201.09113	10.4
219.10150	100.0
229.04825	1.9
240.80954	1.7
250.68555	1.6
291.86743	1.6
303.05017	45.3
304.05072	2.0
348.27539	1.9
465.11172	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	465.233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21550	1.6
54.29440	1.7
55.05506	3.4
57.03427	2.2
57.08413	1.6
61.02934	2.4
63.99972	1.8
67.05499	6.9
69.03413	2.9
69.07065	3.8
69.31706	20.0
79.05490	4.7
81.07058	18.6
82.17311	1.6
85.02912	5.8
91.05476	8.5
93.07011	3.8
95.08643	4.3
97.02857	2.6
105.07043	11.2
105.84940	1.6
107.08648	2.1
116.71707	1.8
119.08581	6.8
121.10126	2.1
123.11691	7.8
147.11679	18.6
149.06010	2.2
156.16925	1.8
163.03935	3.1
165.12749	7.8
177.05490	3.3
179.54997	1.9
193.08534	1.9
201.05341	1.9
216.07535	11.3
217.08344	14.2
227.05319	2.3
229.14421	3.5
252.04294	2.0
267.15863	13.3
271.04242	4.4
279.01614	2.2
285.16989	34.2
287.08969	3.2
303.05173	8.8
303.12256	2.5
379.13702	7.2
421.14658	50.8
422.15112	2.3
465.13681	100.0
466.13947	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	465.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.2
61.02922	1.8
63.64000	1.2
64.17007	1.5
69.03433	8.1
69.07078	3.3
70.06597	3.2
71.38362	3.1
73.02896	1.2
79.05507	1.7
81.03416	3.7
81.07095	1.6
82.06595	1.3
85.02913	14.5
86.09711	1.9
87.72302	1.3
91.05475	2.5
93.07057	1.6
94.06578	1.9
95.04974	1.7
97.02888	3.1
99.04456	1.5
106.06557	2.8
107.04967	1.7
109.02887	1.8
110.06046	6.6
120.04414	7.9
122.06045	4.1
123.04434	4.4
124.07608	6.3
127.03920	1.7
134.06010	4.7
137.02382	4.2
140.07069	7.3
141.07881	7.3
142.08636	19.2
145.05093	2.2
146.06027	2.8
148.07600	2.8
149.02318	2.5
153.05504	4.5
154.08716	2.9
162.05504	100.0
163.05927	2.7
164.07022	2.8
175.08740	1.6
176.07170	2.0
186.09363	1.4
187.07529	1.6
194.08138	1.7
197.12891	3.6
199.08801	2.1
201.10263	5.0
202.08652	1.5
213.10127	3.5
214.11055	1.9
215.11842	3.3
216.10225	3.0
225.10223	1.7
227.08095	1.6
227.11829	3.7
229.05223	2.1
238.08725	1.4
239.11787	1.8
241.09729	2.2
242.10410	1.7
243.08815	18.2
243.11217	2.8
244.09645	10.1
255.11340	6.1
257.12970	3.5
258.11386	3.8
261.12375	10.5
269.12854	3.0
273.12387	2.4
275.09067	3.3
279.13516	5.1
281.12958	2.9
285.12439	4.5
286.10861	5.2
287.13950	4.2
289.17630	1.8
297.12369	4.3
298.12955	2.2
299.13861	8.6
303.05038	28.0
303.07889	2.2
303.13434	69.1
304.04584	1.4
304.13770	2.4
315.13434	16.2
316.14127	10.5
317.14673	1.7
337.15454	1.3
343.12704	2.3
375.15515	5.1
375.59198	1.4
378.15347	12.2
379.16141	4.9
383.16071	2.8
399.15515	9.6
401.16992	1.6
411.15491	4.5
426.36185	1.7
429.16644	22.2
447.17636	40.2
448.17966	2.9
465.08826	1.9
465.18555	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96545	1.0
69.03399	1.0
69.53520	3.1
69.53931	1.2
70.06561	1.2
72.08108	0.9
81.07068	0.6
82.84920	0.7
83.04857	0.6
85.02881	1.6
86.09663	1.2
91.05473	0.6
93.06986	0.6
94.28210	0.6
97.02810	0.6
117.17864	0.5
120.08045	1.2
121.02855	0.6
127.03851	0.7
137.02342	0.8
139.03897	0.8
149.02310	1.2
153.01828	4.2
163.03879	0.6
167.03371	0.7
179.22978	0.6
181.08688	0.7
185.04269	3.4
195.02986	0.8
197.19470	0.6
207.60056	0.7
229.04800	1.0
237.95453	0.6
243.08635	0.6
257.04294	1.0
303.05008	18.3
303.12015	82.4
304.05347	1.1
304.12335	2.5
344.14603	0.8
349.14844	0.7
434.91400	0.7
447.17667	1.7
465.17319	100.0
466.17691	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	465.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95212	1.5
53.03947	1.9
55.05493	5.2
57.03433	2.7
65.00159	1.4
65.03902	1.4
65.60930	1.5
67.05504	8.8
68.99773	2.8
69.03424	2.5
69.07066	5.4
70.06532	1.5
70.99040	4.3
71.04967	1.8
79.05488	13.9
81.03414	5.2
81.07063	11.3
81.18397	1.6
83.04970	3.0
83.08627	2.6
84.86961	1.6
91.05478	12.0
93.07030	9.1
95.04977	10.9
95.08608	3.9
97.10165	2.7
103.05466	2.0
105.07014	5.7
107.04932	8.9
107.08570	6.5
109.06501	1.7
109.10155	2.0
115.05454	1.8
115.13820	1.5
117.07017	2.7
119.04962	2.4
119.08582	2.4
121.06494	4.4
121.10147	2.4
123.04408	4.5
124.05164	1.9
125.05997	3.2
131.04926	100.0
131.08522	2.5
133.06502	4.4
133.10123	4.3
135.07979	1.6
135.11699	3.7
137.02327	4.2
137.09578	1.6
138.03127	5.0
139.03903	4.2
140.06175	2.0
141.07001	2.8
145.06477	2.7
147.04425	4.0
147.11768	3.1
151.03868	2.5
151.11238	2.9
152.59093	1.5
153.01878	1.9
153.05476	20.2
157.06520	1.6
163.03931	2.0
165.05498	2.3
165.06975	4.9
166.02612	2.3
167.03409	1.9
167.07057	39.5
167.08434	2.1
168.05687	3.0
169.06451	3.6
175.11380	1.8
177.05598	1.6
177.07011	2.4
178.07703	1.9
179.06990	4.7
179.08537	4.1
181.01315	2.2
181.04950	21.4
181.06454	3.6
182.07280	4.8
183.02892	3.0
183.04404	1.9
185.05905	2.6
191.03403	2.6
191.07031	3.4
193.06529	2.8
193.12221	4.2
194.07193	2.4
195.08057	4.7
196.05206	3.4
197.06015	5.7
197.09608	2.9
199.07571	2.4
205.06564	2.0
206.07246	3.6
207.08054	3.7
208.05191	1.8
209.06065	3.5
210.06754	6.2
211.07498	3.3
211.13249	2.4
213.05472	5.5
214.06184	3.9
221.06003	5.4
222.06693	2.6
223.07614	3.7
224.04662	5.6
224.08424	3.5
225.05511	3.2
225.09045	5.3
227.06940	1.9
229.04959	3.8
235.07536	5.0
235.22174	1.8
238.06007	3.1
239.06784	2.0
241.04800	2.1
242.05750	3.2
249.05524	2.0
251.07053	4.7
252.04225	1.7
252.07739	2.9
253.04877	5.0
253.08708	9.0
255.06537	3.1
267.06528	2.4
267.10208	3.0
268.07230	2.1
269.04462	2.3
270.05203	6.5
270.09106	2.1
279.06488	1.6
280.07104	2.5
281.04407	1.9
283.09610	24.1
285.07574	68.1
285.11172	13.5
293.48636	1.4
296.06726	2.8
297.07538	2.4
299.09192	5.2
303.04965	3.8
311.09131	24.3
313.10666	1.8
325.10492	2.7
373.10666	2.3
375.08353	2.5
405.13321	10.2
433.12762	9.0
434.13467	3.2
437.15982	43.1
438.16586	2.1
447.27029	2.0
465.15433	39.5
465.28348	2.9
480.22916	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.1
55.05495	3.3
57.03435	3.0
63.40677	1.7
66.26373	1.5
66.52605	1.8
67.05496	7.4
69.03400	2.9
69.07061	4.2
70.06575	1.8
71.05000	1.9
71.58771	3.7
73.02916	2.3
76.49847	2.0
79.05495	7.0
81.03416	4.1
81.07058	14.6
85.02908	7.8
89.28468	1.6
91.05476	7.6
93.07049	5.6
95.04969	4.7
95.08600	6.4
95.74951	1.7
97.02895	5.5
97.06532	2.9
103.05489	2.5
105.07037	11.4
107.04926	3.4
107.08566	4.5
109.10150	3.4
112.75522	1.6
117.07059	2.1
119.04970	1.7
119.08591	6.3
121.06458	4.4
121.10120	3.9
123.04430	8.3
123.08080	2.9
123.11686	5.4
127.03852	2.4
131.04955	2.8
133.06483	3.5
133.10187	3.3
134.84615	1.7
137.02342	3.2
137.06042	4.4
139.03902	4.2
139.80937	1.8
145.06480	2.0
147.04449	4.4
147.11627	10.5
149.05995	7.8
151.07568	2.9
153.05467	3.5
157.10156	2.3
161.05971	5.5
161.09642	2.0
163.03880	6.7
163.07402	2.2
165.12750	5.0
167.07054	2.9
177.05531	4.1
178.06239	6.2
181.08780	2.1
193.08646	5.1
201.05502	2.7
216.07513	11.9
217.08380	13.3
227.05179	2.5
229.14380	2.8
253.48631	1.8
267.15875	8.5
271.04285	7.5
275.09113	2.4
285.16928	23.5
287.09186	4.4
289.05966	2.0
303.05026	21.2
303.08530	2.8
303.11880	10.1
327.12363	2.1
379.13602	7.1
421.14697	49.7
422.15204	2.2
465.13678	100.0
466.14194	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	465.1182
Annotation	Hydnocarpin
Peak:m/z	Relative Intensity
50.14566	0.8
51.20932	1.1
53.03937	2.5
55.01856	2.2
55.05509	10.0
57.03428	5.2
57.07066	1.3
60.20956	0.8
61.02909	0.8
65.03915	1.6
67.05172	1.8
67.05506	23.0
68.99809	1.0
69.03439	1.6
69.07063	5.9
69.47716	6.7
71.01357	1.0
71.04990	4.0
79.05492	19.3
81.03416	16.2
81.07051	17.6
83.04991	5.2
83.08609	5.7
85.02905	7.9
85.06556	1.5
91.05482	17.4
93.07044	18.5
94.55747	0.9
95.04968	16.0
95.08608	7.0
97.02898	1.3
97.06526	5.8
97.10166	4.0
103.05479	1.4
105.07029	13.7
106.15776	0.8
107.04950	3.5
107.08601	13.6
109.06528	2.3
109.10162	3.7
109.66848	0.9
111.08085	2.6
113.05988	1.2
117.07029	3.7
119.04971	1.7
119.08566	7.2
121.06532	4.1
121.10138	4.1
123.04453	2.5
123.08112	2.5
123.11674	1.1
125.06051	0.9
125.09636	1.0
129.07013	3.2
130.04170	2.0
131.04890	1.2
131.08551	4.7
133.10115	6.1
135.04408	2.3
135.08017	1.2
135.11690	17.2
136.05183	2.0
137.06007	1.7
137.09567	1.7
139.03946	1.8
142.07796	1.3
143.08546	1.4
145.10143	3.5
146.03658	2.1
147.04376	3.1
147.08046	1.8
147.11702	4.3
148.05183	3.2
149.09644	2.1
151.03931	0.9
151.11189	1.1
153.01825	6.5
157.10149	3.5
159.11786	1.4
161.06015	4.0
162.06905	1.4
163.03896	13.2
163.11198	2.6
170.18080	0.9
173.06000	2.1
175.11176	4.7
193.12250	16.0
203.03378	5.6
204.32959	1.1
211.13300	13.2
229.04951	6.4
241.05000	2.2
242.05733	10.5
253.05037	3.8
257.04431	46.6
258.05243	18.5
267.15887	1.7
269.04370	1.2
270.05310	1.7
271.06076	3.6
283.06027	2.0
285.03860	8.8
286.04721	28.5
287.05450	15.6
297.04047	6.6
299.05673	1.7
303.05042	7.8
309.07651	2.3
315.15964	6.4
323.09286	2.1
327.05112	1.7
329.20975	1.7
341.06595	1.5
373.23605	1.4
375.08722	1.9
429.29684	1.3
432.08478	2.9
435.10608	5.8
447.10773	18.3
447.17371	1.5
447.27438	2.0
455.94125	1.1
465.11844	100.0
465.28204	14.0
466.12115	4.2
480.64752	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1181
Annotation	Hydnocarpin
Peak:m/z	Relative Intensity
55.01844	0.9
55.05509	2.0
57.03412	0.8
60.90228	0.4
65.03919	0.7
67.05508	6.8
69.03411	0.5
69.07042	1.8
69.25916	4.2
71.04942	0.6
79.05048	0.5
79.05492	5.6
79.68265	0.4
81.03374	1.6
81.06670	0.4
81.07053	5.3
83.04961	1.1
83.08598	0.9
84.56741	0.5
85.02864	1.1
91.04982	0.4
91.05478	6.2
93.07054	4.7
95.04967	3.5
95.08613	2.2
96.93406	0.4
97.02846	0.4
97.06518	0.9
97.10159	0.6
103.05472	0.5
105.06410	0.3
105.07034	3.1
106.65514	0.4
107.04920	1.1
107.08578	3.2
109.06499	1.1
109.10159	2.0
110.03633	0.7
117.06981	1.0
119.04920	0.5
119.08540	1.8
121.02804	0.5
121.06480	0.9
121.10117	1.5
123.04456	1.9
123.11667	0.6
125.05924	0.4
125.09624	0.4
127.03913	0.4
129.06955	1.0
131.04912	0.5
131.08530	1.0
133.10089	1.8
135.04420	1.2
135.08061	0.8
135.11711	3.2
136.05157	1.3
138.06770	0.5
139.03870	0.9
145.10124	1.1
146.03651	0.4
147.04399	1.2
147.11678	1.3
148.05157	0.9
149.09608	0.8
151.11160	0.9
153.01808	3.0
157.10094	0.5
159.11700	0.5
161.05980	0.9
161.13339	0.4
163.03922	1.9
163.11118	0.6
171.02876	0.4
173.06000	0.7
173.13449	0.4
175.11089	0.8
175.14656	0.5
181.12170	0.5
193.12317	1.9
202.64819	0.5
203.03387	8.4
207.63167	0.4
211.13229	0.9
211.15053	0.4
211.36824	0.4
229.04970	7.6
241.04976	1.5
242.05745	3.3
253.04916	0.8
257.04446	100.0
258.05063	5.1
267.15900	0.9
269.04510	0.8
270.05234	1.1
271.05850	0.9
283.05759	0.5
285.03989	4.3
286.04675	8.1
287.05530	10.8
295.06021	0.7
295.20605	0.4
297.03961	7.0
299.05615	1.1
303.04984	2.3
372.18649	0.5
375.08636	1.4
391.08160	1.1
399.75821	0.4
403.08078	1.7
419.07840	0.7
432.08432	1.4
435.10779	5.2
447.10788	2.5
447.26965	0.4
465.11829	99.1
465.28946	2.8
466.12177	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	465.118
Annotation	Isohydnocarpin
Peak:m/z	Relative Intensity
51.17974	0.8
55.05502	1.8
56.96553	1.6
62.36308	0.8
67.05488	2.7
68.99812	0.9
69.03425	2.6
69.07063	2.8
69.45728	7.9
79.05481	2.7
81.03400	1.4
81.07046	4.9
83.08613	1.4
85.02902	2.2
87.04474	1.5
91.05478	2.9
93.07042	3.5
94.29427	0.9
95.04968	3.1
95.08609	4.2
97.06538	1.0
98.21517	1.8
99.04437	1.1
99.82896	0.8
105.07013	3.3
107.08574	3.9
109.02872	1.1
109.06532	2.3
109.10139	2.9
109.47115	0.9
119.04954	1.1
119.08579	3.2
121.06496	1.7
121.10130	2.1
121.73769	0.8
123.04423	3.2
123.08072	0.9
123.11722	1.0
125.05956	0.8
125.09610	1.1
127.03955	1.3
131.04810	0.9
131.08496	1.2
133.10100	2.6
135.11691	1.6
137.05981	5.8
139.03906	2.8
145.10139	1.8
147.04378	2.0
147.11678	2.1
149.05966	1.0
149.09538	0.9
149.13193	0.9
151.03922	1.1
151.07550	1.0
153.01842	14.4
153.05484	1.5
161.05945	1.5
163.03911	1.9
168.09230	1.0
173.06114	1.1
175.11209	0.8
178.06134	0.9
179.03403	1.1
181.06378	1.0
201.05498	1.4
205.04886	1.3
206.07314	1.4
207.08189	0.9
213.00664	1.3
213.05333	1.4
229.04897	1.7
230.09769	0.9
234.06812	1.5
235.07565	1.1
239.06940	1.2
251.06987	1.5
257.04483	2.0
258.05255	3.0
265.04807	1.3
267.06616	0.9
269.04498	1.3
271.06104	2.0
272.06882	1.5
280.07349	2.1
285.03961	1.3
286.04889	4.4
299.05630	2.4
300.06192	1.8
301.03647	1.2
301.06949	1.3
303.04776	10.6
303.07736	2.1
303.22989	1.2
311.05505	15.6
329.07816	1.0
345.07718	1.1
347.09067	1.8
348.09958	1.2
357.07715	1.5
358.08472	1.6
359.09250	5.3
361.07114	3.8
373.07077	1.0
373.23676	1.2
375.08582	10.1
376.09332	5.0
385.07208	2.0
386.07709	5.4
387.08633	7.4
389.06299	0.9
391.08102	1.9
397.07065	1.6
403.08151	21.8
404.08835	4.6
414.07254	3.1
415.08057	7.9
416.08905	2.5
419.07617	15.8
420.08392	10.1
429.29758	1.0
431.07684	7.7
432.08417	67.0
433.08771	4.0
435.10751	40.6
435.16766	1.8
436.11264	1.5
447.10745	100.0
448.11188	6.1
465.11835	71.3
465.18945	2.3
466.11926	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	465.103
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03923	0.7
55.01860	0.4
57.03419	1.2
61.02911	1.7
65.03941	0.4
67.05501	0.6
68.99783	0.5
69.03425	4.9
69.07050	0.5
70.06598	2.6
70.07891	0.7
70.08290	1.2
71.04977	0.7
73.02914	0.9
75.96041	0.4
79.05494	0.6
81.03413	2.0
81.07040	0.9
83.04967	0.4
85.02898	12.5
87.04467	1.2
91.03938	0.6
91.05460	1.2
93.07036	0.8
95.04934	1.0
95.08607	0.6
97.02878	3.9
97.06504	0.4
99.04428	0.7
103.03898	0.5
103.05428	0.5
105.07028	0.9
107.04954	0.8
107.08569	0.5
109.02847	1.6
109.10133	0.7
111.00808	0.7
115.05441	0.6
117.07022	0.6
119.08590	0.6
121.02858	1.3
123.04418	0.8
127.03917	2.2
129.06973	1.6
131.04907	0.9
131.08556	1.8
133.10152	0.5
137.02309	2.4
137.05968	1.9
141.06999	1.2
143.08595	0.5
145.04948	1.1
145.06480	0.7
151.03963	0.5
153.01820	5.8
157.06461	1.0
158.07242	0.5
159.07982	1.3
161.05977	0.9
163.03908	1.2
165.01825	1.9
167.07043	1.0
173.05956	1.1
174.06773	3.3
175.07480	0.6
177.01808	0.5
183.02887	1.2
186.06725	0.6
188.08084	0.4
189.05534	0.5
189.09079	4.3
191.10677	0.4
201.05426	2.3
201.09128	1.6
217.05035	0.4
219.10156	14.2
228.04237	0.5
229.04944	5.0
257.04315	3.1
274.04703	0.8
282.05038	0.4
285.03888	1.6
285.07047	0.4
285.12262	0.8
287.05429	0.9
288.05701	0.9
289.06030	1.5
301.07178	0.5
302.04178	1.0
303.04968	100.0
304.05234	1.9
323.69180	0.4
327.04846	0.8
345.06036	0.8
350.14908	0.6
405.05981	0.6
413.37341	0.5
465.09406	1.3
465.23166	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.2
62.79389	0.1
65.03931	0.3
67.01866	0.1
68.88905	0.1
68.99789	0.9
69.03448	0.1
70.06582	0.2
71.01324	0.1
72.08155	0.1
75.72744	0.1
81.03419	0.4
81.07066	0.1
85.02890	0.2
86.09702	0.1
91.05472	0.1
93.03396	0.4
95.04976	0.4
97.02921	0.1
105.03392	0.1
107.04956	0.1
109.02870	0.7
110.03664	0.1
111.00792	1.1
111.04444	0.1
115.05473	0.1
117.07014	0.1
120.08077	0.1
121.02872	1.2
123.04439	0.4
127.03910	0.3
131.04869	0.1
133.02776	0.1
135.04431	0.3
137.02341	4.3
137.03302	0.2
137.05922	0.1
139.03825	0.1
144.13867	0.1
145.02789	0.1
145.06491	0.3
149.02386	0.5
151.03920	0.1
153.01826	5.3
155.04861	0.4
157.06511	0.1
159.04359	0.1
161.06015	0.4
163.03923	0.9
165.01833	2.5
166.02606	0.3
167.03378	0.1
171.02948	0.1
171.04405	0.1
173.06009	0.8
177.01845	0.1
177.05521	0.1
179.03398	0.2
182.21552	0.1
183.02884	1.1
183.04424	0.5
187.03940	0.5
191.03404	0.2
191.07053	0.1
195.02832	0.4
201.05473	2.4
202.05824	0.1
205.04996	0.1
205.22375	0.1
207.02882	0.1
211.03891	0.3
213.05563	0.2
219.02832	0.3
219.06551	0.4
228.04187	0.3
229.04964	6.3
229.44995	0.1
231.02751	0.1
232.03717	0.1
239.03560	0.1
245.04605	0.1
247.05971	1.0
257.04459	3.9
258.05096	0.1
274.04709	0.9
275.05441	0.3
279.99591	0.1
285.03937	1.6
303.04984	100.0
304.05289	1.4
465.10312	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1029
Annotation	Isoquercitrin
Peak:m/z	Relative Intensity
55.23738	0.2
56.07042	0.2
67.01866	0.5
69.03428	0.4
70.06580	0.3
71.04239	0.5
71.04584	0.4
80.51295	0.3
84.04530	0.3
85.02880	1.0
86.09718	1.4
91.03958	0.3
91.05459	0.3
93.07039	0.3
107.04938	0.6
109.02876	0.3
111.00809	0.3
114.15310	0.2
120.08124	0.8
127.03923	0.3
133.02809	0.5
137.02325	0.3
149.02292	0.3
151.03926	1.6
151.04947	0.3
153.01839	4.6
165.01927	0.3
171.02914	0.6
177.01805	0.6
181.04930	0.3
195.86072	0.3
201.05408	0.3
203.03387	0.9
229.04965	1.5
257.04468	2.1
285.03952	0.7
303.04987	100.0
304.05344	1.9
304.08215	0.3
406.08408	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1022
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03925	0.9
53.88885	0.4
57.03435	0.9
61.02908	1.5
61.24160	0.4
69.03432	2.8
71.11592	0.9
73.02898	0.4
81.03403	1.4
85.02433	0.7
85.02908	8.8
87.04460	0.7
91.03936	0.7
95.04953	0.5
97.02881	2.9
99.04448	0.7
109.02871	1.4
111.00793	1.0
121.02853	1.0
127.03898	1.2
137.02333	4.6
145.04930	1.9
149.02344	0.6
153.01817	4.4
153.87044	0.4
163.03925	0.8
163.16167	0.4
165.01851	2.7
173.06000	0.6
183.02905	1.0
201.05486	2.4
229.04951	4.7
247.06149	0.9
257.04471	2.8
274.04706	0.6
285.03958	1.0
303.04984	100.0
304.05377	1.7
309.11758	0.5
431.40771	0.6
465.17163	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1026
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
50.46136	1.0
53.29700	1.2
69.03406	3.5
70.71230	4.3
75.80195	1.1
75.91209	1.1
81.03432	2.1
85.02910	9.1
97.02903	2.8
109.02908	1.4
111.29777	1.1
121.02892	1.5
127.03978	1.7
137.02322	4.8
153.01810	4.6
159.80690	1.2
165.01799	2.8
170.21243	1.3
193.94897	1.1
201.05460	2.7
229.04974	4.9
257.04465	4.1
303.04977	100.0
304.05331	1.4
304.74774	1.1
351.27478	1.3
351.65448	1.4
423.53751	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.9086
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	44.0
59.17482	22.9
67.05495	24.8
75.38033	22.9
98.97582	24.4
105.03212	19.2
116.98614	50.5
129.88031	21.2
134.99652	100.0
168.62463	22.5
206.92714	28.2
215.33708	21.9
224.93796	33.4
232.96396	24.3
240.90782	33.1
243.99506	21.6
290.94461	33.5
294.21808	23.8
348.14459	22.7
350.94193	23.3
383.14502	24.8
417.66351	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	465.1027
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.91274	0.1
54.73317	0.1
55.01864	0.1
65.03935	0.2
67.01859	0.1
68.99438	0.1
68.99786	1.0
69.03423	0.3
69.75471	0.1
70.06592	0.2
71.57616	0.1
72.65601	0.1
73.54134	0.1
81.03398	0.2
81.07072	0.1
85.02885	0.3
86.09669	0.1
89.53320	0.1
91.05479	0.1
93.03391	0.4
95.04958	0.5
97.02872	0.2
105.03377	0.1
105.06989	0.1
107.04888	0.1
109.02879	0.6
111.00800	1.3
111.04437	0.1
115.05469	0.1
117.06986	0.2
121.02851	1.4
121.56306	0.1
123.04435	0.3
127.03915	0.3
129.06929	0.1
131.04947	0.2
135.04393	0.3
136.61531	0.1
137.02327	4.8
145.02800	0.1
145.06491	0.3
147.04401	0.1
149.02339	0.6
151.03882	0.2
153.01816	5.5
155.04898	0.5
159.04378	0.1
161.05956	0.3
163.03947	0.9
165.01843	2.8
165.03259	0.1
166.02597	0.5
167.03351	0.1
171.02925	0.1
173.02371	0.1
173.05960	0.8
177.01974	0.1
177.05473	0.3
179.03340	0.3
183.02888	1.3
183.04427	0.4
187.03934	0.5
189.05515	0.1
191.03432	0.1
191.06978	0.2
193.01241	0.1
195.02879	0.5
201.05463	2.7
205.04947	0.3
211.03925	0.1
213.05550	0.1
215.03416	0.1
219.02922	0.3
219.06575	0.4
228.04198	0.4
229.04948	6.0
230.05367	0.1
232.03677	0.1
233.04413	0.2
239.03439	0.2
246.05283	0.1
247.06090	0.8
250.93105	0.1
256.03876	0.1
257.04422	3.6
261.04089	0.1
274.04749	1.1
275.05447	0.3
285.03946	1.4
285.12289	0.1
290.35553	0.1
303.04968	100.0
304.05334	1.2
310.29990	0.1
345.05850	0.1
464.73468	0.1
465.10037	0.4
465.15781	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	464.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
70.15684	5.4
85.02890	1.4
86.09706	100.0
89.25824	1.0
89.55991	1.0
118.53368	1.0
121.06496	6.9
132.10208	72.1
141.49423	1.0
171.02872	1.2
266.19580	1.2
277.91425	1.0
284.05609	1.1
287.66443	1.1
303.05164	1.7
383.58478	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99691	3.8
56.67442	3.3
57.03425	29.6
59.04986	6.4
59.88288	3.3
60.04508	7.7
66.11923	3.7
67.05495	4.0
69.03427	100.0
71.58240	4.8
75.04496	7.8
75.10099	3.5
79.05502	3.6
81.03407	6.1
85.02901	98.0
87.04467	71.6
91.05424	4.8
95.04977	4.3
97.02887	84.3
107.04944	8.7
109.02831	6.8
110.06055	5.2
115.03920	94.6
121.06509	8.0
123.04419	13.6
127.03912	15.9
131.04918	24.1
131.81889	3.6
133.04967	93.7
136.07555	12.4
145.04951	14.6
149.05939	8.7
150.07640	23.9
153.01817	11.6
153.05513	5.3
154.08597	28.3
163.06078	3.3
165.05450	4.7
174.05409	4.0
177.05504	14.5
189.05476	10.1
195.04861	5.9
203.06958	5.2
213.07542	3.6
214.10892	4.3
219.06522	5.7
249.07736	3.9
270.13275	13.4
282.77826	5.0
285.03839	4.9
287.05374	10.5
288.05872	14.3
288.14404	9.3
303.05008	68.4
423.64688	3.9
464.15256	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	464.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.01866	0.7
57.03439	1.3
69.03439	0.5
69.82771	0.4
70.75056	1.4
71.29295	0.4
73.02908	0.9
74.79806	0.4
80.05010	0.5
81.03413	5.7
82.06580	2.0
84.04506	4.3
85.02929	2.1
91.05494	0.7
93.07053	0.9
94.06573	1.2
95.01329	1.2
95.04976	1.4
96.04497	0.6
96.33032	0.4
97.02892	0.8
98.06084	2.9
105.07046	1.0
106.06607	0.6
108.08117	8.8
109.06504	0.5
110.06042	20.6
112.67110	0.4
113.27821	0.4
115.03968	0.4
117.05549	0.6
119.04948	1.1
122.09658	1.7
126.09142	1.0
133.06485	2.5
134.06024	1.2
136.07585	21.2
136.81038	0.5
141.01822	1.5
150.05498	0.5
150.09151	5.3
150.97327	0.5
153.01880	0.5
153.82558	0.4
154.08632	100.0
155.08972	0.6
160.07622	0.6
161.05991	1.6
175.77461	0.5
178.08614	3.7
196.09695	15.0
214.10733	9.6
270.13373	22.8
288.14417	56.6
289.14563	0.9
299.98746	0.4
303.05057	1.1
325.86874	0.4
339.58493	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.9
55.01865	2.8
55.05269	1.0
55.05512	15.2
56.96565	23.3
57.03439	5.7
57.07072	2.5
59.05004	0.9
65.03928	2.2
67.05502	59.6
69.03422	1.4
69.06725	1.5
69.07069	20.9
71.01358	1.0
71.04990	3.6
71.08622	1.3
71.95267	2.0
72.96040	1.5
73.02914	1.3
79.05491	40.0
81.03414	5.2
81.07055	79.9
82.97887	0.9
83.04984	6.7
83.08618	16.2
85.02899	2.4
85.06535	4.8
91.05478	27.6
93.07040	49.6
94.07403	1.4
95.04953	8.7
95.08600	24.1
97.06535	11.2
97.10156	2.9
98.20773	2.0
99.08087	2.7
99.69824	1.0
105.04538	0.9
105.07029	13.4
106.07431	1.2
107.04958	1.3
107.08587	28.1
107.09300	1.8
109.06542	2.0
109.10135	4.9
111.08086	7.3
115.05472	1.3
117.07015	9.4
119.08594	5.7
121.06474	2.7
121.10141	15.2
123.08070	1.7
123.11688	2.6
125.09669	1.4
129.07002	2.3
131.08559	11.9
131.26889	1.0
133.10123	14.0
135.08032	2.1
135.11696	9.6
139.11201	1.9
143.08574	1.9
145.06526	1.0
145.10115	2.3
147.11710	1.4
149.09514	1.2
149.13255	31.8
151.11192	1.9
153.01813	1.1
155.03815	1.8
157.10097	1.2
159.03323	1.0
159.08112	1.0
159.11684	15.9
163.03961	1.1
163.11055	1.1
167.14372	1.1
169.10112	1.0
175.11208	1.4
177.12747	5.8
185.13275	1.0
187.06383	1.1
191.06944	0.8
195.06848	1.5
195.11903	1.3
195.13782	13.3
199.06482	1.7
204.95634	0.9
207.07037	1.2
209.04514	1.0
213.07980	16.9
213.14803	2.1
217.07486	4.0
223.09946	1.3
225.07936	5.7
229.37126	1.0
231.09042	32.8
236.09663	1.3
239.09546	3.0
243.09044	4.9
251.09491	11.7
251.12137	1.3
254.10828	1.0
257.10556	3.6
269.10590	100.0
270.10986	2.7
287.05524	13.1
287.11642	86.1
288.05725	1.3
288.11996	2.4
292.12195	10.4
310.13116	5.3
343.25778	1.0
353.24496	1.4
371.25415	3.3
389.26715	2.4
427.27603	1.1
445.29126	3.5
463.23605	39.8
463.30429	40.9
464.23868	1.9
464.30713	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.0
55.01865	2.6
55.05514	19.3
57.03440	9.2
65.03945	3.0
66.93619	1.3
67.05507	81.0
69.07069	24.6
69.39817	13.3
69.95127	1.3
71.01360	2.0
71.04990	5.9
71.08630	5.4
79.05493	56.1
80.05767	1.4
81.03422	5.4
81.07059	100.0
83.04991	8.6
83.08617	19.6
85.02930	1.6
85.06538	5.1
88.18830	1.4
91.05481	34.7
93.07050	79.4
95.04980	13.8
95.08046	2.8
95.08614	29.5
97.06525	13.5
97.10149	4.0
99.04479	1.9
99.08080	4.9
103.10445	1.4
105.04507	2.5
105.07025	14.0
107.05024	1.7
107.08596	42.7
109.06546	3.6
109.10149	6.5
111.08083	9.0
113.00009	10.3
113.09679	2.0
117.07019	14.5
119.08578	9.7
121.06483	3.3
121.10143	24.9
123.11714	2.8
129.07004	4.0
131.08554	14.8
133.10149	13.9
135.08038	2.1
135.11694	16.0
139.11131	2.3
143.08542	2.2
145.10101	4.1
147.11702	3.0
149.09637	1.8
149.13261	45.1
151.11174	2.9
157.10136	2.1
159.11684	15.3
161.09660	1.7
161.13257	3.3
163.11205	3.8
169.02612	4.0
171.11726	1.9
177.12737	6.8
179.14450	9.2
195.13757	14.4
207.88690	1.4
213.14915	2.7
227.12817	4.3
277.21658	4.1
287.05560	10.2
288.05930	1.7
343.26648	2.3
351.25272	6.7
371.25656	3.6
445.29391	5.0
463.30670	41.5
464.30655	1.9
470.47229	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.4
55.01861	3.6
55.05513	19.3
56.96567	1.8
57.03448	8.4
57.07064	2.5
65.03932	2.6
67.05505	89.4
69.07062	28.6
69.83224	11.4
71.04980	7.2
71.10313	1.5
73.86447	1.6
79.05491	54.3
81.03418	4.9
81.07054	100.0
83.04964	6.3
83.08614	19.1
85.02903	2.8
85.06538	6.2
91.05479	44.2
93.07043	71.4
95.04975	12.0
95.08599	28.2
97.06537	12.0
97.10181	3.3
99.08080	4.7
101.07654	1.8
105.07037	31.6
107.04967	3.1
107.08593	36.4
109.06490	4.9
109.10166	9.3
111.08067	8.6
117.07016	19.5
119.08567	15.4
120.00737	1.6
121.06506	4.2
121.10136	24.4
123.08052	1.8
123.11676	2.9
127.68219	1.7
129.07025	7.4
131.08562	26.3
133.10129	15.8
135.07956	1.9
135.11684	15.4
139.11206	2.1
141.06966	3.0
143.08554	6.2
145.06520	2.5
145.10086	11.7
147.11630	2.9
149.13252	35.2
150.98126	1.7
151.11098	3.1
155.08543	4.7
157.10060	5.5
159.11697	20.6
161.13242	2.3
169.10095	2.2
171.11626	4.5
177.12744	7.5
179.08415	2.0
183.11768	3.7
185.13315	2.5
195.13857	12.0
197.13161	2.8
199.14818	3.4
209.13188	2.3
213.14751	4.1
223.14906	1.9
241.15605	2.2
247.16910	2.0
259.16885	2.5
273.18692	1.8
287.05444	7.7
325.25348	3.0
335.23611	2.7
343.26175	4.4
353.24719	15.9
371.25745	14.4
374.90204	1.9
374.95172	1.9
384.30313	2.2
389.26736	14.8
445.29367	23.0
463.30515	51.3
463.36826	2.9
483.11713	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30449	2.9
53.03941	5.5
55.01866	4.5
55.05514	31.7
56.41115	2.2
56.60548	2.7
57.03424	9.4
57.07061	2.8
58.70597	2.3
65.03925	4.6
67.05503	100.0
69.03444	4.7
69.07066	30.3
71.04988	3.7
79.05064	4.5
79.05495	72.7
81.03447	3.0
81.07060	96.1
83.04974	5.9
83.08624	19.9
85.06525	5.3
91.05479	97.5
93.06471	4.9
93.07045	79.5
93.07628	4.3
94.40795	2.5
95.04988	11.7
95.08614	52.9
97.06537	13.1
97.10153	4.8
98.21616	5.0
103.05458	5.1
105.07032	94.1
107.04951	9.5
107.08595	35.8
109.06512	10.5
109.10184	17.1
111.08093	7.3
115.05474	8.3
117.07014	44.0
119.08579	53.7
121.06483	12.4
121.10161	21.1
123.08046	5.9
128.06178	6.0
129.06984	29.0
130.07880	2.7
131.08578	71.9
133.06477	4.6
133.10146	35.4
135.08041	6.6
135.11687	10.7
137.09601	5.7
139.11162	2.8
141.06969	8.2
142.07738	2.9
143.08554	22.4
145.06454	6.9
145.10130	40.4
147.08043	10.9
147.11737	13.3
149.09631	4.8
149.13240	11.1
155.08562	11.0
157.10132	22.6
159.08052	3.1
159.11722	21.3
161.09567	4.7
161.13228	5.8
167.08548	5.5
169.10141	11.9
171.11734	17.0
173.09575	5.1
173.13245	8.2
174.87958	2.5
175.11143	4.0
177.12733	6.3
181.10086	8.0
183.11670	9.4
185.13226	10.6
187.11128	3.7
187.14813	5.1
195.11676	7.7
195.13857	3.9
197.13278	10.9
199.14771	5.9
201.12758	3.0
207.11671	4.8
209.13205	6.4
211.14796	5.0
215.14372	3.6
219.13721	3.4
221.15280	2.9
223.14796	4.5
225.16306	5.5
229.15842	3.0
233.15416	4.1
243.17336	2.6
247.16939	5.7
259.16949	4.6
261.18484	5.9
273.18457	3.4
275.20047	4.9
287.05621	4.2
325.25226	11.9
335.23834	11.7
343.26389	15.4
353.24744	43.4
371.25806	57.1
371.30420	3.1
389.26874	52.8
425.28070	2.6
427.28253	5.7
445.29559	63.3
463.30734	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.1
55.01865	7.5
55.05509	26.1
57.03429	14.5
57.07072	5.9
65.03940	6.0
66.31137	2.7
67.05505	82.6
69.07068	28.1
69.51054	13.8
69.51464	5.5
70.83343	2.3
71.04982	5.7
72.27431	2.4
79.05494	73.6
81.03420	10.7
81.07053	100.0
82.07376	3.1
83.04967	10.8
83.08611	16.2
85.02900	5.2
85.06532	5.4
91.05482	71.9
93.06473	5.1
93.07043	75.4
95.04961	16.8
95.08600	43.3
97.06533	9.1
97.10154	6.0
99.08119	4.4
105.04543	3.2
105.07028	57.8
107.04945	10.2
107.08585	36.4
109.06509	8.5
109.10172	16.0
111.08065	6.9
115.05441	2.7
117.07030	32.0
118.44573	2.4
119.08578	38.3
121.06490	6.4
121.10130	26.0
123.08063	3.8
125.09629	3.9
128.06226	8.6
129.06999	18.7
131.08580	56.8
133.06517	5.4
133.10120	32.9
135.08080	6.4
135.11696	16.3
137.09547	3.7
139.38547	2.5
141.06958	7.4
143.08542	17.7
145.06442	4.2
145.10118	26.7
147.08022	7.5
147.11699	10.2
149.09624	6.7
149.13243	19.5
149.59915	2.2
151.11191	5.1
155.08609	5.4
157.10161	11.4
159.11687	15.2
161.09647	2.4
161.13268	5.2
167.08604	4.8
169.10147	6.9
171.11714	8.8
173.13268	4.5
175.11163	3.2
177.12781	5.8
179.14233	3.2
181.10164	6.2
183.11711	7.6
185.13309	6.7
187.11223	2.8
195.11610	5.4
195.13792	4.5
197.13184	4.5
199.11125	2.8
199.14851	5.1
201.12746	2.9
209.13303	5.8
211.14948	4.4
219.13852	3.7
219.17229	3.1
225.16267	2.5
227.14389	2.8
233.15346	3.6
245.19203	2.4
247.17081	3.5
267.09155	2.6
269.12421	3.8
273.18506	4.2
275.20071	4.0
287.05591	20.1
288.05737	4.1
325.25366	6.9
327.90298	2.7
335.23709	9.6
343.26242	13.8
353.24731	34.7
371.25833	37.2
389.26874	37.0
427.28455	4.3
445.29382	39.3
463.30743	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	463.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.5
55.01860	3.8
55.05264	1.5
55.05510	19.9
57.03436	9.7
57.07073	2.6
65.03941	3.4
67.05503	81.4
69.06721	2.2
69.07065	25.1
70.21011	4.1
71.04977	5.6
79.05492	54.2
81.03423	2.5
81.07053	100.0
83.04982	7.6
83.08611	17.0
85.06544	5.1
91.05479	28.4
93.07040	66.9
95.04990	11.4
95.08607	26.0
97.06528	13.9
97.10170	2.5
98.12683	1.1
99.08074	3.9
105.07033	9.9
107.04934	1.3
107.08595	37.6
109.06513	4.3
109.10182	3.7
111.08076	8.3
111.11697	1.5
113.09644	1.4
113.57044	1.2
117.07028	9.3
119.08587	4.9
121.06519	2.4
121.10141	24.9
123.11703	1.5
129.06952	1.3
131.08563	12.3
133.10121	11.3
135.08069	2.8
135.11678	11.4
139.11205	2.9
140.90700	1.1
147.11726	3.0
149.13258	53.2
159.11702	21.4
159.58141	1.2
167.14388	2.9
177.12781	10.3
181.63097	1.4
195.13765	14.4
213.14905	2.3
224.71210	1.2
463.30606	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.4
55.01891	3.3
55.05509	19.6
56.38083	1.5
57.03431	4.9
57.07069	3.3
60.63530	1.2
62.70104	1.2
63.61289	1.5
65.03938	3.9
67.05503	81.0
69.07066	26.4
69.07417	2.6
70.75952	4.5
71.04987	4.3
79.05489	55.8
81.03432	6.6
81.07053	100.0
83.04989	7.9
83.08613	18.8
85.02924	2.0
85.06556	5.3
91.05478	35.0
93.07043	63.2
95.04966	11.3
95.08601	22.9
97.06535	14.1
97.10186	3.3
99.08087	3.6
105.07030	15.8
107.04989	2.5
107.08586	40.8
107.09283	2.4
109.06544	4.0
109.10161	7.9
111.08068	7.3
112.82646	1.4
117.07009	11.6
119.08556	7.3
121.06512	3.3
121.10130	22.7
123.11713	3.3
127.07646	1.4
129.07024	3.0
131.08553	15.3
133.10136	18.6
135.08095	3.7
135.11682	14.4
137.05948	3.0
139.11269	1.8
143.08582	2.8
145.10164	3.8
147.11710	3.3
149.13252	40.3
151.11208	4.6
157.10161	2.1
159.11693	17.6
162.70937	1.5
163.11290	2.7
177.12778	7.1
181.12566	1.4
185.13281	1.7
192.52452	1.5
193.12392	2.2
195.13821	19.2
213.14809	2.9
227.12833	4.5
287.05530	12.1
353.24921	2.4
371.25912	3.5
372.27719	1.5
423.44089	1.5
445.29556	3.4
463.14624	1.7
463.30695	51.8
463.37000	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	463.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73068	1.3
53.03944	5.8
55.01864	4.3
55.05508	19.9
57.03448	7.7
57.07073	4.0
58.79692	1.3
64.28688	1.4
65.03949	3.9
67.05506	79.2
69.07073	29.7
69.33456	14.6
71.04994	6.2
73.02916	1.5
79.05126	1.3
79.05494	53.8
81.03428	5.6
81.07059	100.0
83.04991	10.5
83.08622	17.3
85.02906	2.7
85.06551	6.3
91.05476	34.6
93.07048	70.3
95.04969	14.7
95.08604	28.7
97.06532	13.0
97.10175	4.4
99.08102	3.0
105.04515	1.6
105.07037	17.4
107.04943	2.8
107.08598	43.1
107.09300	2.8
109.06538	6.2
109.10142	8.4
111.08076	10.3
117.07015	12.8
119.08588	7.4
121.06525	4.3
121.10136	22.7
123.04396	1.7
123.08044	1.9
123.11717	3.4
125.09661	2.8
129.06998	4.3
131.08560	19.9
131.09378	1.7
133.10133	13.9
135.08115	2.8
135.11703	11.8
143.08568	3.1
145.10136	6.1
147.11684	1.8
149.09630	2.1
149.13261	43.0
151.11235	3.1
155.08589	2.3
156.45245	1.4
157.10194	2.7
159.11693	17.8
163.11227	2.1
167.14319	2.0
169.10107	1.9
171.11652	2.8
177.11467	1.7
177.12715	8.1
195.13800	14.5
227.12894	3.7
275.20251	1.7
287.05508	15.3
287.07861	1.4
288.06177	1.6
353.24991	4.7
371.25986	4.1
389.26764	3.5
445.29617	3.4
463.30649	48.0
464.30676	2.0
482.43283	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.1
55.01851	2.5
55.05513	12.4
56.96567	20.1
57.03437	4.2
57.07059	1.3
65.03915	2.8
67.05504	42.9
69.03407	1.2
69.07070	13.2
71.01353	0.9
71.04987	3.7
71.59732	1.0
71.95238	1.8
72.96025	1.1
73.02895	0.8
73.78407	0.6
79.05492	30.1
81.03432	4.0
81.07057	57.5
83.04980	4.9
83.08614	10.8
85.02886	1.7
85.06532	2.9
86.09724	0.6
91.05482	21.7
93.07043	43.6
95.04977	7.0
95.08608	16.7
97.06532	7.4
97.10147	2.3
97.96879	0.7
99.08079	1.8
102.98785	0.8
105.07027	9.1
106.07391	0.7
107.04940	1.3
107.08593	20.8
109.06492	2.3
109.10159	3.7
111.08064	4.7
112.12981	0.6
113.05962	0.7
117.07033	7.3
119.08575	4.1
120.08859	0.6
121.02755	0.6
121.06478	1.8
121.09328	0.7
121.10146	12.4
123.08033	1.1
123.11660	2.2
125.09636	1.0
129.06998	1.1
131.08568	7.6
133.01733	0.7
133.10126	8.6
135.08038	2.2
135.11703	6.7
137.02650	1.0
139.11148	1.3
143.08516	1.3
145.10106	1.8
147.11682	1.2
149.09631	1.1
149.13258	25.1
151.11176	1.7
155.03751	1.5
157.10118	0.8
159.03206	1.1
159.11685	11.0
161.09581	0.6
161.13223	0.7
167.14320	0.8
171.03223	0.8
173.04822	0.7
175.11345	0.7
177.04337	0.7
177.12759	4.9
183.11656	0.9
185.13289	0.9
191.05795	0.6
195.06880	1.8
195.13803	11.2
199.06383	1.7
203.05959	1.1
207.06911	0.9
213.07991	15.9
213.14903	1.3
215.09529	0.8
217.07481	2.8
225.08018	4.8
231.09036	29.7
236.09581	1.2
239.09547	4.1
241.10970	0.8
243.09055	5.0
251.09483	10.6
251.11798	0.9
254.10654	1.3
257.10583	3.4
267.16000	0.8
268.12073	0.6
269.10596	100.0
270.11002	1.7
286.04532	0.6
287.05542	14.4
287.11652	87.7
288.11810	1.1
292.12207	13.4
310.13211	5.7
333.15060	0.8
353.24246	1.3
371.25601	2.3
383.08658	0.9
389.26831	1.7
427.28610	0.8
445.28976	2.9
463.23636	37.1
463.30460	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2331
Annotation	Rouyolide E
Peak:m/z	Relative Intensity
51.02371	2.3
51.76237	1.5
53.03930	6.6
55.01881	4.1
55.05512	24.7
57.03440	8.6
57.07079	2.1
65.03938	3.5
67.05504	79.2
68.05824	5.4
69.07074	25.6
70.11214	1.7
70.49614	6.4
71.04987	6.3
73.02913	2.3
79.05493	59.0
80.05829	4.3
81.03416	24.4
81.07056	100.0
82.03741	5.1
82.07376	5.4
83.04984	9.6
83.08615	24.5
84.08954	3.9
85.02897	4.3
85.06539	3.9
91.05479	44.3
92.05826	3.9
93.07043	68.2
93.07634	3.5
94.07403	2.7
95.04972	21.4
95.08606	34.6
96.05293	3.1
96.08930	2.6
97.02882	2.4
97.06519	12.5
97.10159	5.4
99.08079	4.4
105.04522	2.6
105.07035	26.8
106.07338	2.0
107.04945	7.2
107.08600	37.1
108.08899	2.6
109.06514	4.1
109.10168	13.6
111.08067	8.4
115.05450	3.2
117.07008	18.5
119.04960	1.8
119.08582	13.8
121.06505	5.7
121.10148	25.9
123.08088	4.2
123.11718	3.7
125.02399	2.3
125.09635	4.6
128.06223	2.6
129.07021	10.4
130.07390	2.1
131.04878	2.8
131.08583	22.0
132.08910	2.8
133.06491	2.2
133.10129	20.3
135.08081	3.8
135.11705	13.1
137.02354	9.0
137.09581	2.2
139.03941	4.7
139.11215	2.0
141.01913	1.9
141.06946	2.6
142.07759	2.3
143.08566	6.9
145.06506	2.4
145.10121	9.8
146.10455	2.4
147.04398	2.2
147.11716	4.6
149.09637	3.2
149.13264	30.9
150.09964	2.2
150.13535	2.4
153.01857	4.4
155.08586	2.4
157.06525	2.6
157.10165	5.8
158.10515	2.3
159.11699	16.0
161.13304	2.4
165.01872	10.6
165.09120	6.0
169.06537	2.4
169.10005	1.9
171.11781	3.0
173.09720	2.0
175.11314	1.7
177.12747	7.1
179.03426	4.1
181.01323	23.5
181.10098	2.7
183.02904	20.2
185.05959	3.0
185.09636	2.1
189.05423	2.6
191.03433	4.5
193.04974	1.9
193.12296	4.3
194.12605	3.1
195.02977	4.7
195.13818	10.8
205.04994	5.9
213.05507	4.4
217.05020	3.9
229.04965	3.5
237.16498	2.2
241.05032	2.4
241.08563	3.4
242.05441	2.1
243.06461	3.0
259.09604	4.9
271.09680	2.4
273.11331	3.9
283.09793	3.2
285.11093	3.0
287.05521	31.6
335.23550	3.0
345.23608	4.6
353.24655	8.7
371.25458	9.9
389.26596	8.7
391.19351	2.5
409.20251	11.5
427.21255	6.1
445.29379	14.9
463.30206	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1753
Annotation	Euchrenone b3
Peak:m/z	Relative Intensity
53.03944	1.0
55.01860	0.9
55.05494	3.1
57.03416	1.4
65.03910	0.9
67.05502	9.1
69.07056	3.3
71.08626	1.0
71.11304	1.5
79.05486	5.6
81.03398	0.9
81.07063	11.0
82.75974	0.8
83.04964	1.1
83.08618	1.9
85.02879	0.9
91.05499	4.5
93.07035	8.1
94.70620	0.7
95.04974	1.3
95.08586	3.5
97.06519	1.5
99.08102	0.8
100.58064	0.8
105.07027	2.4
107.04987	1.2
107.08573	5.4
109.10149	1.4
111.08086	0.9
113.00018	1.4
117.07030	1.9
119.04962	0.7
119.08562	2.0
121.06502	2.5
121.10121	4.0
131.08559	1.9
132.33536	0.7
133.10191	1.0
135.04398	1.1
135.11700	1.4
143.08740	0.8
145.06450	1.0
145.10065	1.4
147.11703	0.9
149.05971	0.8
149.13268	3.7
153.01813	3.1
159.11665	1.1
169.02654	0.9
177.12769	0.9
179.14272	1.9
195.13889	1.9
277.21634	1.1
291.10251	1.0
299.09018	1.4
307.09708	2.8
308.10529	1.6
321.11212	0.8
325.10855	3.0
335.09073	2.0
336.09952	2.3
337.10559	1.1
349.07047	1.0
349.10681	4.0
351.12244	21.2
361.10638	0.8
363.08597	6.9
364.09207	1.1
365.10107	1.0
377.10239	1.0
379.11703	12.6
380.11710	0.9
389.10016	1.1
405.13879	1.8
406.10324	0.9
407.11237	100.0
408.11499	4.0
413.13812	2.6
421.12738	1.4
422.13489	10.1
429.13531	1.5
445.16537	4.2
445.29370	1.6
463.17505	91.6
463.30865	4.0
464.17941	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1402
Annotation	Artoindonesianin C
Peak:m/z	Relative Intensity
50.14736	0.4
51.19437	0.4
53.03930	0.9
55.01843	1.0
55.05511	2.9
57.03407	0.8
57.91806	0.4
60.93415	0.4
65.03928	0.9
67.05505	9.4
68.05821	0.5
69.03437	0.6
69.07069	2.8
69.60921	0.4
70.23177	2.1
71.04963	0.9
71.08591	0.4
76.70490	0.4
79.05495	8.0
80.05782	0.8
81.03421	2.4
81.06598	0.6
81.07056	11.1
83.04945	1.1
83.08609	2.1
85.06518	0.8
91.05484	7.9
92.05781	0.5
93.06499	0.5
93.07042	8.0
94.07343	0.5
95.01301	1.0
95.04948	1.8
95.08617	3.8
97.06490	1.3
97.10139	0.4
99.08031	0.5
102.04668	0.5
103.05430	1.2
105.06404	0.5
105.07028	6.0
107.04924	1.9
107.08595	4.4
108.02065	0.6
109.06520	0.7
109.10114	1.9
111.08064	1.0
112.99976	1.2
114.76880	0.4
115.05431	0.8
117.06255	0.4
117.06998	1.8
118.04121	1.6
119.04966	3.1
119.08547	1.6
121.02813	0.4
121.06459	0.8
121.10096	1.8
123.00802	3.7
123.04379	0.5
123.08025	0.5
123.45961	0.4
125.06029	0.5
125.09579	0.7
128.06187	1.6
129.06996	0.6
131.04944	2.2
131.08566	2.0
132.05682	1.0
133.06474	3.7
133.10133	2.6
135.04405	1.8
135.08070	0.5
135.11647	2.2
137.05917	1.8
137.09599	0.5
143.08568	0.9
145.06514	0.5
145.10097	1.2
146.03630	7.0
147.04414	3.5
147.08022	0.5
147.11662	0.5
148.05115	0.9
149.05893	0.5
149.13271	2.0
151.11147	0.6
152.01013	1.3
153.01791	0.7
156.05684	1.0
159.07993	0.7
159.11676	1.6
161.05966	8.1
162.06729	0.7
163.07512	1.0
163.11180	1.4
168.05670	1.3
169.06459	0.7
170.02080	1.6
171.06633	0.7
171.08049	9.6
177.12758	1.0
181.06454	0.8
181.12167	0.5
183.08054	1.5
184.05186	2.1
190.76114	0.4
195.13799	0.9
197.06041	0.7
197.13213	0.4
199.07455	1.1
205.05003	0.5
209.06004	4.2
211.07553	1.4
212.04686	1.4
213.05421	0.8
223.03883	1.0
225.05370	0.5
227.07021	0.6
227.12741	2.6
229.08672	2.8
239.06967	1.5
240.04156	1.8
240.07823	3.0
241.04956	0.7
242.05780	0.6
251.06929	0.6
253.04950	0.8
255.06520	100.0
256.07111	3.0
267.06409	0.5
268.07349	0.5
269.04425	1.6
269.07916	0.6
281.08054	1.8
283.06024	40.3
284.06784	15.6
285.07574	21.9
287.05429	4.8
293.07974	0.6
295.06122	0.9
351.25488	1.1
371.25305	0.7
401.10205	1.0
413.10278	0.5
430.10724	0.6
433.12827	6.5
445.12830	41.5
446.12973	1.5
463.13892	49.5
463.30414	4.7
464.14200	1.7
482.57999	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1382
Annotation	Artoindonesianin C
Peak:m/z	Relative Intensity
53.03937	2.9
55.05497	4.5
57.03415	2.0
57.07061	2.4
67.05511	15.1
69.07053	4.7
79.05489	14.7
80.24897	1.9
81.03448	2.1
81.07037	16.3
83.08628	2.1
91.05468	16.6
91.77130	1.9
93.07030	10.1
95.04938	3.1
95.08044	2.0
95.08602	3.8
102.04676	4.8
103.05415	3.0
105.07055	10.2
107.08575	7.9
115.05450	3.0
117.07026	2.9
118.04159	4.5
119.04953	7.3
119.08611	2.8
130.04153	6.2
131.08577	3.1
132.05724	2.6
133.06512	7.1
133.10144	3.6
135.04465	2.7
137.05968	4.5
143.08589	2.2
144.05652	2.9
146.03621	43.6
146.65878	2.1
147.04434	12.0
149.13237	4.4
151.07623	2.2
153.01831	2.4
159.08083	2.8
159.11729	2.3
161.05968	39.9
162.06717	6.6
168.05688	2.7
170.02135	9.4
171.08035	3.2
183.08003	4.4
211.07582	5.0
224.01443	1.7
227.07124	6.4
229.08670	9.2
229.26088	3.1
239.07014	3.8
240.07817	13.8
253.04851	2.7
255.06502	5.9
256.07312	9.1
267.06500	3.2
269.04492	3.4
270.05295	3.6
283.06000	11.3
284.06848	19.7
285.07544	100.0
286.07944	2.5
295.06046	5.4
321.07657	2.3
325.07178	2.2
376.17105	2.2
413.10321	18.0
430.10367	3.0
433.12912	8.8
445.12860	85.4
463.13873	93.5
463.30533	6.6
464.14279	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	463.1233
Annotation	Ombuin 3-arabinofuranoside
Peak:m/z	Relative Intensity
52.80629	0.3
55.01799	0.3
55.05461	0.7
56.96507	0.4
57.03387	0.5
61.02868	0.5
65.03870	0.4
67.05424	1.3
69.03370	0.6
69.07008	0.6
69.42112	2.7
71.04918	0.8
73.02850	0.5
79.05402	1.2
81.03337	0.8
81.06972	2.6
83.08543	0.4
85.02902	1.7
91.03903	0.4
91.05387	0.9
93.06956	1.2
95.04920	0.4
95.08520	1.1
97.02837	0.5
97.06464	0.3
98.21517	0.5
102.31514	0.3
105.06931	0.9
107.04916	0.4
107.08492	0.9
109.10065	0.9
113.02322	0.5
119.04872	0.4
119.08488	0.5
121.02836	0.6
121.06420	0.8
121.10035	0.8
121.79589	0.3
123.04310	0.8
127.03803	0.6
131.03358	0.6
131.04881	0.5
133.10027	0.9
135.11630	0.6
137.02286	0.3
137.05980	1.9
139.03854	0.4
143.08446	0.3
145.10060	0.3
147.04349	0.3
147.11612	0.4
153.01813	1.3
154.02452	0.4
159.02734	0.4
159.11610	0.3
161.13223	0.3
165.01802	0.4
165.05528	0.5
167.06932	0.4
177.05374	0.5
177.12740	0.6
178.02545	0.6
181.04797	0.3
193.58093	0.3
229.05179	0.3
239.07159	0.3
241.04886	0.5
242.05740	2.4
243.15950	0.5
258.05219	2.2
259.08560	0.9
267.09058	0.6
269.04297	0.4
269.17407	1.0
270.05243	8.0
271.05658	0.5
273.03906	1.2
277.09329	0.4
285.04007	0.4
285.10052	0.9
286.04605	1.5
287.05487	17.7
288.05838	1.1
298.04971	0.3
299.05453	0.8
301.03357	2.4
301.06848	0.6
301.10040	0.5
302.04202	2.5
313.03354	0.9
315.04971	36.8
316.05627	4.6
331.08112	100.0
332.08469	4.2
349.60623	0.3
375.78876	0.3
381.69046	0.3
472.94598	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1233
Annotation	6-C-Methylkaempferol 3-glucoside
Peak:m/z	Relative Intensity
55.22896	1.0
60.09236	1.0
61.02901	1.0
69.03398	1.5
69.24642	11.2
69.25042	1.4
70.06608	1.7
73.02901	1.4
79.05470	1.0
85.02920	5.7
86.09647	1.0
121.02876	2.3
123.04416	2.6
124.04822	1.1
127.99895	1.0
137.02347	12.9
139.03928	1.5
147.04326	1.8
151.03882	1.3
153.01820	1.1
157.06430	2.8
157.07591	1.3
163.03944	1.3
169.06339	1.2
185.05901	2.5
189.05475	2.3
195.40146	1.3
197.05945	4.1
198.27885	1.1
205.04796	1.4
211.75674	1.1
213.05453	17.2
215.03380	1.9
216.04068	1.3
225.05467	1.6
227.07005	1.6
231.06555	1.2
232.32782	1.1
241.04951	14.9
245.08127	1.9
255.06554	2.9
258.05154	1.5
268.03479	2.1
269.04449	14.7
283.06204	2.0
286.04883	6.3
287.05487	44.0
288.05807	2.8
301.07062	100.0
301.10260	3.3
302.07156	2.6
319.04868	1.3
373.07037	1.1
377.69028	1.2
427.14853	1.6
447.10895	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1231
Annotation	5,2',6'-Trihydroxy-7-methoxyflavone 2'-O-glucoside
Peak:m/z	Relative Intensity
52.28346	0.4
64.74158	0.3
66.93249	0.3
69.39112	2.9
69.39529	0.7
71.65906	0.3
85.02879	0.8
94.06965	0.3
95.55173	0.3
98.20799	0.7
131.76656	0.4
136.94807	0.3
144.29599	0.4
153.01781	0.5
204.10443	0.3
220.50734	0.4
246.72885	0.4
258.05225	16.6
259.05518	0.8
286.04715	34.3
287.05429	5.8
301.07059	100.0
302.07401	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	463.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22896	1.0
60.09236	1.0
61.02901	1.0
69.03398	1.5
69.24642	11.2
69.25042	1.4
70.06608	1.7
73.02901	1.4
79.05470	1.0
85.02920	5.7
86.09647	1.0
121.02876	2.3
123.04416	2.6
124.04822	1.1
127.99895	1.0
137.02347	12.9
139.03928	1.5
147.04326	1.8
151.03882	1.3
153.01820	1.1
157.06430	2.8
157.07591	1.3
163.03944	1.3
169.06339	1.2
185.05901	2.5
189.05475	2.3
195.40146	1.3
197.05945	4.1
198.27885	1.1
205.04796	1.4
211.75674	1.1
213.05453	17.2
215.03380	1.9
216.04068	1.3
225.05467	1.6
227.07005	1.6
231.06555	1.2
232.32782	1.1
241.04951	14.9
245.08127	1.9
255.06554	2.9
258.05154	1.5
268.03479	2.1
269.04449	14.7
283.06204	2.0
286.04883	6.3
287.05487	44.0
288.05807	2.8
301.07062	100.0
301.10260	3.3
302.07156	2.6
319.04868	1.3
373.07037	1.1
377.69028	1.2
427.14853	1.6
447.10895	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1233
Annotation	6-C-Methylkaempferol 3-glucoside
Peak:m/z	Relative Intensity
55.01855	1.3
55.69104	0.6
56.02274	0.7
57.03428	1.6
61.02913	1.0
63.12310	0.7
69.03433	3.6
70.14219	1.5
70.14634	3.1
71.01302	1.0
73.02892	2.3
74.41483	0.7
74.74771	0.7
76.14135	0.7
81.03414	1.6
85.02899	11.0
91.05457	0.8
92.02594	0.8
93.03391	0.7
95.01372	0.8
97.02892	2.7
103.03912	0.8
105.91042	0.7
107.04989	1.1
109.02868	1.6
113.02350	2.2
116.28860	0.7
121.02841	4.4
123.04413	1.0
123.07981	0.7
127.03877	2.5
129.61240	0.6
131.03339	1.0
137.02324	11.0
137.41708	0.7
141.01843	1.1
142.14803	0.7
145.04936	0.8
147.04451	1.3
150.09085	0.8
151.03882	1.3
153.01804	3.4
167.03491	0.9
185.05991	1.2
187.03929	0.7
192.68999	0.7
201.05536	1.2
207.21906	0.8
213.05453	4.0
219.75539	0.8
229.04903	2.1
230.05676	3.7
241.02519	0.8
241.04984	3.1
253.22311	0.8
257.04419	1.7
258.05222	5.3
269.04456	4.9
284.06644	1.0
286.04724	14.4
287.05484	60.5
288.05823	2.9
299.09119	3.0
300.09500	2.6
301.07034	100.0
301.09671	5.1
302.07382	4.8
303.04929	2.6
377.01633	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.087
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
54.82766	0.5
57.03442	0.8
70.64765	1.0
70.65098	0.6
71.01347	1.3
73.02915	1.6
85.02913	3.7
95.01357	0.7
95.04972	0.5
101.02383	0.6
106.21358	0.5
113.02355	1.5
121.02851	2.6
131.03383	1.1
137.02339	8.1
142.41824	0.5
149.02371	2.8
157.06473	0.6
161.06070	0.5
163.03860	0.8
168.54407	0.4
175.07475	0.5
185.05894	2.3
203.07077	0.7
213.05443	5.5
214.14348	0.5
231.06538	1.1
241.04964	2.5
249.55672	0.5
258.05215	0.9
269.04459	1.2
287.05502	100.0
288.05841	3.9
298.21991	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33695	0.1
55.01866	0.3
57.03421	0.2
57.05053	0.1
57.69834	0.1
65.03937	0.2
67.05489	0.3
68.99776	0.4
69.03414	0.2
69.07046	0.2
69.98579	0.8
70.06567	0.5
71.01351	0.3
72.08139	0.3
73.02898	0.5
73.69045	0.2
79.05479	0.3
81.03403	0.2
84.04462	0.2
84.08128	0.3
85.02905	1.1
86.09695	0.5
88.30941	0.1
94.06614	0.1
97.02866	0.3
109.02889	0.3
109.06598	0.2
113.02361	0.2
118.29057	0.1
121.02888	0.9
123.04458	0.2
129.06966	0.3
131.04901	0.2
133.10008	0.2
137.02332	3.6
137.03233	0.2
139.03859	0.2
141.01788	0.2
147.04359	0.3
149.02332	0.8
153.01822	0.3
157.06464	0.6
159.02951	0.2
161.05933	0.5
163.03870	0.4
165.01865	0.3
165.07027	0.4
171.04402	0.3
175.04001	0.2
175.07468	0.2
181.08710	0.2
183.08034	0.2
185.05925	0.9
189.05510	0.5
193.04935	0.2
193.06479	0.3
199.03801	0.2
203.07048	0.3
205.05031	0.2
211.07538	0.6
213.05458	2.7
216.04185	0.4
229.04848	0.2
231.06532	0.9
239.07022	0.5
241.04942	1.6
258.05292	0.3
259.05994	0.5
269.04428	0.8
271.09641	0.7
286.04660	0.7
287.05487	100.0
288.05804	2.7
301.07108	4.1
301.10608	0.4
301.15488	0.3
303.04947	0.4
313.15768	0.2
334.58936	0.2
463.08643	2.8
468.78238	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	463.0868
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
51.92796	0.2
55.01860	0.5
57.03434	1.1
59.82161	0.2
67.01848	0.2
67.05490	0.3
68.99784	0.9
69.03421	0.5
69.36602	0.6
69.37026	1.2
70.70811	0.2
71.01353	1.6
73.02909	3.4
75.04471	0.3
79.05469	0.2
81.03387	0.2
83.01338	0.3
84.04525	0.3
85.02901	9.1
86.09724	0.3
89.28774	0.2
91.05462	0.4
93.07076	0.3
94.04215	0.2
95.01325	1.2
97.02876	0.7
99.00796	0.6
101.02383	0.4
103.03940	0.5
105.07021	0.2
107.04947	0.9
107.08624	0.2
109.02892	0.5
110.44006	0.2
111.00822	1.0
113.02370	2.7
117.01871	0.2
120.08072	0.2
121.02847	3.4
121.10034	0.2
127.03915	0.2
131.03391	2.8
133.02855	0.4
135.04349	0.2
137.02301	1.0
137.05981	0.3
141.01831	1.5
145.06390	0.3
147.04387	0.9
153.01823	5.7
157.06465	0.8
159.02863	1.4
161.05945	0.4
165.01840	2.3
167.03400	0.4
169.06592	0.2
171.04370	0.4
174.80502	0.2
175.07573	0.2
179.92711	0.2
183.02809	0.9
185.05960	0.8
212.04465	0.2
213.05457	1.7
229.05028	0.2
231.06554	0.6
241.04916	1.0
258.05261	1.3
259.06079	0.4
269.04404	0.2
270.05099	0.2
277.50812	0.2
285.03906	0.4
286.04718	2.6
287.05478	100.0
288.05804	1.6
299.05801	0.3
301.04028	0.2
301.07053	6.3
329.06461	0.3
376.44968	0.2
480.29077	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	463.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33695	0.1
55.01866	0.3
57.03421	0.2
57.05053	0.1
57.69834	0.1
65.03937	0.2
67.05489	0.3
68.99776	0.4
69.03414	0.2
69.07046	0.2
69.98579	0.8
70.06567	0.5
71.01351	0.3
72.08139	0.3
73.02898	0.5
73.69045	0.2
79.05479	0.3
81.03403	0.2
84.04462	0.2
84.08128	0.3
85.02905	1.1
86.09695	0.5
88.30941	0.1
94.06614	0.1
97.02866	0.3
109.02889	0.3
109.06598	0.2
113.02361	0.2
118.29057	0.1
121.02888	0.9
123.04458	0.2
129.06966	0.3
131.04901	0.2
133.10008	0.2
137.02332	3.6
137.03233	0.2
139.03859	0.2
141.01788	0.2
147.04359	0.3
149.02332	0.8
153.01822	0.3
157.06464	0.6
159.02951	0.2
161.05933	0.5
163.03870	0.4
165.01865	0.3
165.07027	0.4
171.04402	0.3
175.04001	0.2
175.07468	0.2
181.08710	0.2
183.08034	0.2
185.05925	0.9
189.05510	0.5
193.04935	0.2
193.06479	0.3
199.03801	0.2
203.07048	0.3
205.05031	0.2
211.07538	0.6
213.05458	2.7
216.04185	0.4
229.04848	0.2
231.06532	0.9
239.07022	0.5
241.04942	1.6
258.05292	0.3
259.05994	0.5
269.04428	0.8
271.09641	0.7
286.04660	0.7
287.05487	100.0
288.05804	2.7
301.07108	4.1
301.10608	0.4
301.15488	0.3
303.04947	0.4
313.15768	0.2
334.58936	0.2
463.08643	2.8
468.78238	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	463.0693
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56328	0.6
56.15103	0.5
64.08615	0.5
69.03403	0.8
70.97505	1.2
78.85636	0.5
81.03453	0.5
84.04465	0.6
84.08134	1.1
86.09701	1.3
94.93044	0.6
95.94452	0.6
97.02901	1.2
98.80018	0.5
100.07612	1.1
101.00889	0.9
102.05531	0.5
119.01919	3.2
120.06559	0.8
120.95422	0.9
131.01901	1.5
137.02969	0.7
138.96452	1.3
143.01884	1.4
145.00784	0.7
145.03462	1.2
147.04413	0.9
152.02376	0.7
155.01880	1.3
156.97475	4.8
157.03534	0.6
161.02939	2.4
163.04430	0.6
173.02963	2.6
174.97047	0.8
174.98544	16.8
180.97420	7.1
182.03329	0.6
182.99034	0.9
185.02951	3.2
197.03081	0.9
198.98529	100.0
199.52512	0.6
199.98676	2.4
200.53098	0.6
201.00203	0.8
203.03941	1.7
204.07082	1.0
210.98491	2.7
213.00063	2.8
215.04059	0.7
216.99590	51.4
217.99635	1.2
219.02567	0.6
222.00139	3.9
222.08202	1.2
222.98503	2.5
225.00105	1.2
227.03902	0.7
228.99640	8.3
234.98506	3.4
240.01224	2.4
240.99551	14.9
243.01086	1.1
245.05000	5.1
247.00633	2.6
248.89525	0.9
252.01114	0.9
252.99493	4.1
259.00662	17.1
263.06134	0.9
264.99615	0.6
271.00595	1.5
276.09320	0.6
277.01639	5.7
282.02292	2.2
283.00632	8.4
287.00137	1.0
301.01669	24.2
319.02792	7.4
324.03195	0.9
342.04340	1.3
343.02582	1.2
373.03906	0.8
453.20148	0.7
463.07169	3.2
463.16919	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.1
55.01878	10.3
55.05498	2.6
57.03431	6.9
61.02921	4.5
67.05515	1.6
68.99781	3.7
69.03426	31.6
71.04977	5.9
71.11845	2.1
71.12180	2.5
73.02914	6.5
76.05125	2.0
79.01868	1.8
81.03413	18.3
84.04503	4.2
85.02903	91.5
86.09709	4.6
87.00826	28.9
88.03961	1.8
90.05560	2.5
91.05479	4.1
94.04163	1.9
97.02892	24.2
99.04463	9.3
100.11273	3.0
101.02397	2.0
102.05490	1.7
103.03960	1.6
105.01869	41.3
105.03423	1.5
105.07011	2.4
107.04937	16.4
108.04498	3.3
108.05285	4.6
109.02864	20.8
111.04472	1.6
117.06982	2.3
119.08574	5.9
121.02856	4.2
122.03644	4.1
125.05943	2.1
127.03917	50.4
129.01813	2.0
130.06502	2.1
131.04939	2.1
137.02367	1.8
137.05972	100.0
138.06441	2.0
139.03894	3.3
139.11194	2.3
145.04945	17.7
147.02887	2.3
147.04424	1.9
147.08032	10.1
151.03983	2.4
151.07561	6.5
153.01828	12.8
154.02202	2.7
159.02933	10.7
161.05977	6.2
163.07535	2.7
169.06602	1.9
171.08043	2.7
174.06824	2.4
175.07526	2.7
177.09076	2.8
179.07053	10.7
179.10643	20.1
183.02982	2.2
187.07573	2.7
189.03911	2.9
189.09113	2.6
193.06265	2.0
195.06033	3.6
196.15500	1.9
201.09215	2.9
203.07068	5.0
203.10686	11.9
207.10172	6.3
221.11729	11.7
227.10602	3.0
229.08580	2.6
231.04921	12.6
236.06345	2.0
239.12955	2.1
245.07983	3.3
245.11736	4.3
249.05960	1.8
258.05359	2.3
263.12701	3.3
264.89160	1.7
269.11697	1.8
286.04858	8.3
287.05502	67.5
287.12720	25.9
300.05960	2.8
301.03522	2.4
301.07019	24.4
305.13776	2.5
306.00760	1.5
311.09256	2.7
331.63712	1.9
462.14780	2.8
482.26025	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69875	15.4
59.87792	14.6
60.04534	37.1
60.61912	19.0
61.66885	12.8
64.68532	15.4
69.03405	20.8
70.06587	28.1
71.57846	33.5
72.08159	94.4
81.68027	13.6
84.04497	34.6
86.09705	64.1
87.10031	22.4
90.62589	14.0
91.05810	22.6
107.05009	14.9
111.04484	15.8
115.82512	15.2
127.03917	23.7
130.04947	18.7
139.03889	100.0
153.01830	53.2
165.05562	16.2
226.98663	39.7
247.13341	27.3
265.14319	94.8
287.05493	45.6
431.67169	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	462.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57036	0.7
53.03928	1.5
55.01870	1.1
56.99008	0.7
57.03418	1.5
61.02914	2.5
64.67299	0.7
65.03953	1.1
65.93705	0.7
69.03434	6.9
69.07027	1.4
70.02945	1.8
70.06579	2.0
70.91496	0.8
70.91813	1.4
73.02899	1.0
74.00649	3.8
79.05478	0.9
81.03399	3.2
85.02902	17.6
86.09679	2.7
87.04453	1.0
88.03987	48.8
91.05454	1.5
93.03387	3.8
97.02885	4.5
99.04453	0.9
103.05459	2.2
106.04140	0.8
107.04931	2.3
109.02857	1.9
117.03351	1.5
118.04128	1.2
119.04923	3.1
120.01165	6.5
121.06488	0.8
122.02701	1.3
123.02657	3.9
126.63745	0.8
126.82981	0.7
127.03876	3.8
128.74210	0.8
131.04909	3.0
132.05731	1.6
137.04196	0.8
139.81155	0.9
145.04912	2.0
146.03604	14.2
147.02646	1.1
147.04366	3.1
149.02296	0.9
149.05991	7.3
150.01378	1.5
151.02118	12.8
151.07529	0.9
153.01819	1.4
160.05199	1.2
163.03905	3.6
165.03725	1.8
177.05473	9.4
178.06239	57.2
179.01613	41.5
179.06932	2.6
180.01895	0.8
181.03146	2.0
182.05734	1.1
193.03140	2.8
196.01848	2.2
197.04395	0.9
211.04227	100.0
212.04662	2.2
213.05786	5.3
233.16467	0.8
254.08450	1.0
283.06406	1.8
287.05609	6.5
300.08984	26.9
373.09583	3.1
462.14130	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.3
55.01880	7.8
55.05513	46.1
57.03432	12.3
65.03941	7.6
67.05506	97.5
69.03438	3.8
69.07069	27.9
70.76097	9.5
71.04983	7.3
77.17825	3.4
79.05494	100.0
81.03424	31.7
81.07057	94.5
83.04987	13.5
83.08626	37.5
85.06535	4.5
91.05484	96.8
93.07044	93.1
95.04974	35.6
95.08041	6.4
95.08606	50.9
97.06528	11.2
97.10161	14.5
99.08107	5.7
102.26468	3.6
103.05470	8.2
105.07032	76.7
107.04973	13.4
107.08598	43.8
107.74802	3.4
109.06508	10.2
109.10144	21.2
111.08078	10.1
115.05471	10.6
117.07034	40.6
119.08568	39.3
121.06508	17.8
121.10141	19.2
123.04467	4.7
123.08080	7.3
125.09654	9.9
128.06229	14.0
129.06995	49.2
130.07814	3.6
131.08563	56.8
133.06499	16.7
133.10135	27.0
134.95067	3.5
135.08072	9.2
135.11665	17.8
137.09625	5.0
141.07004	23.5
142.07770	6.3
143.08566	40.2
145.06491	19.4
145.10112	34.2
147.08017	21.0
147.11690	19.7
149.09656	12.1
149.13263	11.7
155.08524	25.1
157.10095	24.6
159.08041	9.6
159.11702	17.7
161.09636	4.9
161.13269	10.8
163.11168	7.8
165.07010	5.7
167.08582	10.8
169.10144	19.1
171.08141	5.9
171.11705	15.9
173.13277	6.4
175.11147	6.8
175.14963	3.8
177.12785	7.6
181.08629	3.6
181.10144	9.7
183.11708	8.2
185.09610	3.9
185.13277	9.4
187.11203	4.1
187.14781	5.2
189.12761	6.6
193.10197	7.4
193.12282	11.7
195.11674	13.7
195.13695	4.9
197.13281	9.5
199.14792	8.7
201.12628	5.5
207.11839	8.1
207.13799	7.4
209.13266	8.1
211.14876	5.7
213.12767	5.8
215.14421	7.5
215.38184	3.6
217.15919	9.9
221.13258	4.9
223.14856	11.1
225.12773	5.4
225.16444	5.3
235.14940	5.8
239.14197	8.0
251.07060	3.7
253.15884	5.8
257.15298	5.7
271.16980	8.7
323.23865	5.3
333.22083	11.4
341.24762	11.8
351.23209	42.1
369.24261	49.0
387.25162	23.8
405.26614	4.2
443.27991	48.4
447.14380	3.8
461.28970	80.4
462.29178	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	461.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.6
55.01864	7.9
55.05510	31.1
57.03434	8.0
63.21830	1.8
65.03957	3.9
67.05507	69.1
69.03421	5.2
69.07071	24.4
69.32279	19.3
71.04989	7.2
77.18845	2.0
79.05493	58.4
80.05837	2.3
81.03423	67.4
81.07061	76.2
83.04986	11.3
83.08625	28.7
85.06552	4.2
86.13076	1.9
89.61340	1.9
91.04907	2.2
91.05482	55.0
93.07043	58.6
95.04966	43.3
95.08607	28.6
97.06506	11.2
97.10168	12.5
98.72473	2.1
99.08112	2.3
103.05475	3.8
105.07035	40.6
107.04951	15.9
107.08600	34.9
109.06551	9.6
109.10145	12.1
111.08111	10.7
113.00025	3.5
115.05461	3.8
117.07017	21.3
119.04955	2.7
119.08578	24.7
121.06503	17.8
121.10142	20.9
123.08055	6.1
123.11667	2.3
125.09627	8.5
129.07013	20.9
131.04921	2.8
131.08569	32.9
132.08849	2.3
133.06519	8.9
133.10149	13.7
135.08047	5.5
135.11734	7.5
137.06010	2.3
137.09645	5.1
141.07013	5.5
142.07779	4.5
143.08578	11.0
145.06474	13.2
145.10103	14.0
147.08063	8.7
147.11682	9.2
149.09613	9.8
149.13249	18.3
151.07507	2.6
151.11217	2.5
155.08549	5.2
157.10127	13.7
159.08044	4.4
159.11694	13.3
161.09631	4.3
163.11203	4.7
165.09077	2.7
165.12634	2.0
167.08589	2.9
169.10168	4.4
171.08072	3.1
171.11710	4.1
173.13257	2.4
175.11223	8.7
177.12785	6.1
181.10049	2.3
183.11716	6.3
185.09793	2.2
185.13280	4.1
187.00201	1.9
187.11240	2.4
189.09238	2.3
189.11208	7.3
193.12242	21.8
195.11873	2.3
195.13882	5.9
197.13268	2.6
199.14940	3.7
201.12746	2.6
205.12369	3.6
213.14807	2.0
215.14330	3.5
217.15903	7.5
221.13315	2.1
225.09262	1.9
225.12878	2.1
227.12767	3.9
239.14317	3.5
243.13649	2.2
249.14783	4.4
257.15408	4.5
259.16986	2.7
267.15732	2.4
275.20114	3.0
341.24796	4.3
343.22736	7.0
351.23270	12.9
361.23636	2.6
369.24295	26.8
370.24719	2.6
387.25345	16.1
417.26025	4.9
443.27945	23.9
461.28989	100.0
462.29309	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	461.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18113	3.3
53.03935	9.0
55.01864	10.0
55.05507	37.8
57.03422	10.9
57.07065	4.1
58.16292	3.3
60.43170	3.5
65.03941	5.7
67.05501	85.4
69.07062	25.3
71.04977	6.7
74.97499	3.5
79.05061	6.0
79.05490	76.6
81.03414	93.6
81.07048	89.5
81.69189	4.0
83.04977	9.7
83.08620	32.0
85.06537	4.9
91.05477	78.6
93.07037	74.2
95.04955	60.4
95.08606	30.0
97.06540	9.2
97.10183	14.0
105.07020	46.7
107.04939	22.1
107.08595	33.0
109.06522	11.7
109.10158	11.9
111.04469	3.9
111.08077	14.5
115.05437	5.8
117.07001	28.2
119.08575	28.5
119.49532	3.0
121.06510	17.5
121.10133	23.5
123.08089	8.1
123.11710	4.8
125.09629	13.1
126.47742	3.1
128.06256	5.3
129.07021	21.2
131.08556	30.5
131.35335	3.5
133.06502	12.1
133.10138	14.7
135.08069	7.7
135.11682	9.3
141.07002	5.6
142.07828	5.7
143.08571	12.4
145.06438	15.7
145.10126	12.7
147.08034	9.2
147.11684	9.9
149.09610	12.3
149.13251	19.8
154.14223	3.3
155.08571	7.2
157.10124	19.0
159.08009	6.9
159.11665	16.1
161.09644	6.9
163.11189	4.5
169.10130	11.1
171.08173	4.2
171.11690	8.2
173.13354	4.9
175.11205	10.0
177.12814	6.7
181.10286	3.4
189.11177	7.0
193.12233	24.4
195.13803	7.4
205.12296	4.0
215.14102	3.8
217.15851	10.8
229.65526	3.6
233.15494	3.8
247.89615	3.5
248.41685	3.4
257.15396	5.2
271.16989	3.1
281.26123	3.6
288.14035	3.7
323.23676	3.8
341.24838	4.2
343.22653	15.3
351.23154	14.4
361.23621	4.9
369.24286	24.3
387.25238	16.9
417.26288	15.1
443.27814	22.8
461.29034	100.0
462.29108	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	461.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49160	2.5
52.10411	2.3
53.03933	7.9
55.01869	7.0
55.05510	37.5
57.03450	14.0
65.03925	3.0
67.05502	71.0
69.03434	4.5
69.07070	25.8
69.89696	2.4
70.19801	11.9
71.04975	8.7
77.50312	3.1
79.05490	70.8
81.03421	55.1
81.07051	87.7
83.04978	13.8
83.08611	29.9
85.02921	2.7
85.06532	5.2
91.05477	66.5
93.07040	67.1
95.04969	45.8
95.08604	33.3
97.02912	2.4
97.06521	10.6
97.10175	15.6
105.07032	53.3
107.04966	13.9
107.08591	36.8
109.06513	9.3
109.10157	9.7
111.08087	8.9
115.05437	2.8
117.07021	27.8
119.04942	2.9
119.08569	28.9
121.06515	18.6
121.10133	14.5
125.09627	13.5
128.06247	6.7
129.06996	29.0
129.63533	3.2
130.07797	2.6
131.04953	6.1
131.08560	38.0
133.06477	12.9
133.10130	18.3
135.08046	7.1
135.11678	8.7
141.06979	5.5
143.08534	18.1
145.06491	21.9
145.10104	13.6
147.08034	11.9
147.11697	14.1
149.09622	8.0
149.13248	18.5
154.07817	3.4
155.08607	8.4
157.06494	5.3
157.10141	12.1
159.08060	5.7
159.11674	14.8
161.09607	5.4
163.11156	5.8
167.08595	3.3
168.09360	3.2
169.10110	5.0
171.08047	3.3
171.11713	8.5
173.09599	4.1
173.13284	3.5
175.11191	8.5
177.12779	7.8
181.10196	5.2
183.08125	3.0
183.11696	5.6
185.13272	3.3
189.09149	2.8
189.11267	10.2
193.12257	22.0
195.11578	2.9
195.13861	5.4
197.13342	4.2
199.11107	3.1
199.14842	7.5
201.12749	4.2
213.12775	3.3
215.14325	3.2
217.15942	10.0
223.13229	4.1
227.12750	3.2
231.13876	2.9
239.14368	3.9
249.14891	5.2
255.17203	2.8
267.16003	5.0
271.17065	3.9
300.10971	2.5
323.23801	4.6
341.24744	7.8
343.22714	4.7
351.23166	20.0
352.98315	2.7
369.24252	40.6
387.25284	18.3
407.25723	3.6
417.26306	6.9
443.27960	35.2
461.22473	5.6
461.28967	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21223	1.5
51.02378	1.6
53.03946	10.1
55.01874	7.7
55.05234	1.7
55.05510	33.0
57.03434	13.3
57.07059	3.4
60.13840	1.6
65.03934	4.7
67.05506	100.0
69.03427	4.3
69.07066	21.8
70.83676	5.0
71.01354	1.6
71.04982	4.0
73.02960	2.1
73.06560	2.1
77.03931	2.2
79.05494	92.2
81.03417	55.1
81.07057	74.7
83.04971	17.5
83.08619	21.1
85.06538	4.5
91.05479	69.6
93.07043	85.8
95.04968	46.8
95.08601	35.2
97.02892	2.2
97.06528	13.5
97.10178	11.7
99.08083	3.2
103.05444	3.0
105.04495	2.6
105.07031	40.3
107.04963	14.8
107.08593	43.8
109.06509	8.0
109.10162	11.0
111.08086	9.7
115.05448	2.6
117.07020	18.2
119.04964	2.3
119.08575	29.9
121.06507	10.1
121.10143	13.8
123.08054	7.0
123.11739	2.0
125.09610	5.3
128.06209	2.7
129.06999	21.9
130.07784	1.7
131.05011	1.8
131.08565	17.5
133.06476	2.9
133.10149	14.4
135.08046	5.0
135.11687	29.3
137.09601	2.9
141.06982	3.1
142.07770	3.5
143.08572	7.7
145.06490	5.5
145.10095	13.3
147.08051	6.5
147.11685	24.2
149.09610	5.9
149.13254	13.0
155.08577	3.5
157.10068	8.2
159.11699	9.4
161.09595	3.0
161.13252	7.6
163.11206	4.9
165.12793	1.8
166.07988	1.7
167.08521	1.8
169.10101	2.0
171.11655	17.0
173.13318	2.1
175.11183	6.1
177.12782	4.4
181.10178	2.0
181.12239	4.5
189.11267	3.8
189.12776	6.7
193.12245	15.4
195.13956	2.3
199.13080	1.8
199.14905	2.5
207.13812	18.0
217.15906	3.7
225.12787	2.6
225.14848	2.5
238.48880	1.6
245.15463	2.0
249.14787	2.4
272.78394	1.8
317.93869	1.9
323.23495	1.9
334.30972	2.2
341.24493	2.7
343.22757	5.8
351.23163	6.3
361.23856	2.1
369.24277	10.6
387.25089	6.2
417.26245	6.4
425.27847	1.8
428.46408	1.6
443.27737	11.9
443.36554	3.0
461.28955	85.8
461.37115	6.7
462.29337	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	461.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02453	1.7
53.03940	6.1
55.01867	7.7
55.05512	31.7
56.38066	2.0
57.03428	9.4
57.07071	2.5
60.46255	2.0
65.03942	5.4
67.05503	66.8
69.07063	15.9
70.72240	3.9
71.02475	2.0
71.04973	6.0
79.05495	55.0
81.03421	73.8
81.07055	71.1
83.04980	9.8
83.08629	28.5
85.06541	4.0
91.05480	52.4
93.07043	56.4
95.04961	41.5
95.08608	25.2
97.06529	10.2
97.10163	10.4
99.08084	3.1
105.04385	2.6
105.07030	36.1
107.04947	17.2
107.08578	29.5
109.06528	9.6
109.10172	8.3
111.04443	2.7
111.08088	10.9
111.15985	2.1
115.05453	6.1
117.07027	18.3
119.04925	2.0
119.08593	23.6
121.06472	11.4
121.10157	14.3
123.08061	4.3
123.11706	3.1
125.09632	8.5
128.06277	4.1
129.06990	23.4
131.08546	26.6
133.06480	6.4
133.10124	16.3
135.08058	6.1
135.11690	10.1
141.06985	5.2
142.07730	2.8
143.08548	9.6
145.06500	9.4
145.10147	9.2
147.08046	9.2
147.11668	9.3
149.09631	9.8
149.13277	18.8
155.08615	3.1
157.10077	11.6
159.11656	12.3
163.11261	3.6
169.10165	4.6
171.07968	2.6
171.11684	5.4
175.11177	7.2
177.12747	5.8
177.39117	2.1
183.11757	4.2
185.09628	5.0
185.13272	3.1
189.11263	5.9
190.61877	2.0
193.12236	27.0
195.13858	3.9
197.13222	2.9
199.14789	2.1
201.12880	3.0
213.12790	3.3
215.14357	4.6
217.15961	8.1
227.03236	2.1
227.12723	2.4
231.13806	3.3
239.14430	3.2
248.19321	2.3
249.14850	5.6
308.28391	2.2
323.23880	2.6
343.22803	6.6
351.23239	9.5
361.23880	2.4
369.24155	25.6
387.25323	11.6
417.26236	7.7
439.31601	2.2
443.27838	21.7
461.28979	100.0
462.29242	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	461.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.5
55.01865	13.0
55.05262	5.1
55.05508	51.1
57.03437	14.3
57.07049	3.8
62.08357	2.6
63.97639	2.5
65.03915	8.3
67.05502	99.2
69.07066	36.3
71.04974	11.0
71.39500	5.3
79.05491	85.1
80.05817	4.7
81.03415	24.5
81.07053	100.0
83.04975	12.7
83.08617	24.0
85.06525	7.7
91.05479	95.3
92.05781	5.0
93.07040	73.4
95.04968	36.0
95.08601	49.6
95.36729	2.9
96.08960	2.6
97.06525	12.5
97.10168	15.5
98.42770	2.6
99.08094	3.7
99.97434	3.0
103.05455	6.4
105.07025	81.3
107.04961	25.0
107.08582	39.2
109.06512	14.2
109.10126	27.8
111.04410	5.1
111.08057	13.6
115.05445	11.4
117.07011	54.6
119.04924	6.8
119.08566	42.9
121.06493	26.1
121.10154	19.1
123.08090	10.3
123.11706	3.3
125.09655	16.5
125.94347	2.9
128.06195	14.6
129.07005	52.8
130.07791	4.4
131.04933	3.7
131.08563	70.3
133.06462	14.9
133.10139	38.1
135.08034	9.7
135.11697	10.9
137.05972	4.7
137.09601	5.1
139.11195	3.1
141.06996	22.6
142.07774	8.0
143.08545	38.6
145.06476	22.0
145.10103	35.0
147.08067	12.4
147.11674	11.8
149.09615	9.5
149.13254	8.8
151.11206	3.5
153.09073	4.0
154.07742	6.4
155.08545	27.2
157.06485	4.9
157.10106	29.8
159.08063	10.8
159.11691	21.6
161.09633	9.2
161.13235	4.0
163.11156	4.1
165.07024	6.9
165.09151	5.6
167.08592	10.8
168.09363	3.6
169.10126	20.7
171.08109	8.4
171.11713	14.8
173.09624	4.5
173.13219	6.4
175.11224	11.4
177.12802	10.2
179.08582	8.0
181.10127	10.6
183.11716	12.3
185.09628	8.5
185.13249	15.9
187.11287	4.4
187.14836	4.8
189.11220	7.1
189.12804	5.6
193.10204	6.5
193.12286	8.8
195.11696	8.3
195.13823	3.6
197.13318	9.0
199.11281	5.1
199.14839	9.2
201.12735	6.7
207.11716	3.9
209.13223	11.6
211.14902	4.9
213.12779	6.4
213.16423	3.8
215.14424	9.5
217.15971	8.0
221.13289	7.8
223.14940	8.1
225.12737	5.9
225.16516	5.8
227.14371	4.7
231.13847	4.3
233.15492	4.0
235.14861	6.2
239.14249	4.9
243.13884	6.8
245.15396	6.8
249.16516	3.9
253.15976	3.8
257.15405	10.3
271.16980	7.3
275.16360	3.8
323.23676	8.1
333.22147	10.5
341.24759	12.3
351.23178	48.5
369.24231	72.9
370.24823	3.4
387.25262	40.2
425.26855	4.7
428.12604	7.7
443.14954	21.7
443.27826	63.4
461.15665	5.1
461.28949	95.1
462.29321	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	461.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24144	1.8
53.03936	7.8
55.01858	9.2
55.05508	31.4
57.03426	8.5
57.07049	2.3
65.03938	3.5
67.05502	72.7
69.03416	5.3
69.07061	21.4
70.01862	1.9
70.75700	6.7
71.04980	5.2
75.02302	1.8
77.03933	2.4
79.05489	61.7
81.03416	63.9
81.07053	75.4
83.04984	11.0
83.08616	30.0
85.06551	4.2
91.05477	52.7
93.07037	60.4
95.04963	48.1
95.08610	27.6
97.06522	9.4
97.10162	13.0
103.05431	2.9
105.07030	38.3
107.04958	18.2
107.08591	29.0
109.06525	10.9
109.10126	10.1
111.08099	12.3
113.00033	4.4
113.92469	2.0
115.05434	4.0
117.07027	17.5
119.04902	4.0
119.08586	24.7
121.06490	16.5
121.10149	19.9
123.08077	5.5
123.11676	2.1
125.09631	9.8
128.06221	4.1
129.06987	17.8
131.04918	4.1
131.08551	33.1
133.06470	9.7
133.10139	14.2
135.08057	7.8
135.11682	6.3
137.09622	2.5
141.07005	5.1
143.08574	11.2
145.06467	12.4
145.10133	11.6
147.08070	8.7
147.11682	10.1
149.09642	8.5
149.13252	20.5
149.15047	2.0
153.09108	2.3
153.93898	2.0
155.08556	6.2
157.10139	15.3
159.08099	6.8
159.11664	13.4
161.09581	4.3
163.11172	4.0
165.09200	2.3
165.12729	2.8
167.07066	3.9
169.10178	4.7
171.07993	2.8
171.11681	5.4
173.13222	3.5
175.11208	6.4
177.12744	5.6
179.08643	2.6
183.11700	3.9
185.13274	2.2
189.11250	6.8
193.12256	22.3
195.11835	2.6
195.13824	2.5
197.09633	2.3
199.14853	4.5
201.12776	2.6
207.13715	2.6
215.14355	2.1
217.15921	8.4
225.12833	4.2
239.14453	2.9
249.14905	4.0
251.07040	3.5
257.15475	2.4
275.16476	2.9
275.20068	3.2
307.06030	12.6
341.24826	4.0
343.22830	7.0
349.23898	2.2
351.23157	14.6
361.24020	2.7
369.24191	33.2
369.28427	2.9
387.25061	16.6
405.26437	4.3
407.25790	2.3
417.26453	7.1
443.27832	24.2
461.28955	100.0
462.29401	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.5
55.01868	15.0
55.05497	4.2
57.03434	5.2
67.05492	7.9
68.21607	2.6
69.01324	2.5
69.03428	4.1
69.07085	6.3
69.53086	22.7
74.06123	2.4
78.04713	4.6
79.05503	19.2
81.03423	7.9
81.07056	7.2
81.29456	2.3
81.63892	2.8
84.08146	2.8
85.02888	7.9
88.16335	2.3
91.05476	14.6
93.07047	10.1
95.04984	15.8
95.08619	4.2
97.06510	2.8
103.05460	6.3
105.07021	8.1
107.04963	15.7
107.08578	5.5
109.02948	2.5
109.06547	2.9
109.10187	3.6
111.04473	3.2
115.05472	8.6
117.07017	3.9
119.08546	2.7
121.06553	5.6
121.10127	5.4
123.04451	16.0
124.05215	5.6
125.06003	3.4
127.03945	4.0
131.04913	10.2
131.08571	3.4
132.05676	4.0
133.10081	4.4
135.08064	6.8
135.11703	3.4
137.05980	8.4
140.04697	9.6
143.04901	5.0
144.05704	6.0
145.02849	3.3
145.06483	7.4
147.04402	6.4
147.08066	6.8
147.11752	3.2
148.05208	3.3
149.05931	5.2
151.03911	5.0
152.04648	7.7
153.05464	6.3
155.04965	4.9
155.07048	11.3
159.11781	2.7
160.05174	5.8
161.06003	7.1
165.07100	3.3
167.05638	5.8
167.07048	100.0
171.04410	2.9
172.05188	3.4
173.05992	5.1
175.07478	15.3
176.04648	3.7
177.05472	11.5
177.06871	2.9
178.07785	4.0
181.04970	5.3
185.05986	7.2
187.07524	7.8
188.04662	5.7
189.07019	6.8
190.07780	6.3
191.07022	14.2
191.08453	5.2
192.07811	5.4
195.06511	17.0
195.08060	4.7
200.04782	3.0
202.07816	3.7
203.06993	29.0
203.08595	3.8
205.06520	9.1
206.07280	6.7
207.08113	5.4
215.07042	22.1
217.06586	4.1
218.07294	7.4
219.08080	14.1
221.06010	6.8
221.09708	5.9
222.06779	5.3
223.07567	5.3
231.08057	9.9
233.05948	9.1
234.06821	9.7
235.07512	9.0
236.08243	4.1
237.09097	6.5
238.06252	4.5
239.07042	3.9
244.05190	5.0
245.06017	4.4
246.06844	6.0
247.07605	20.0
248.08356	9.2
249.05573	3.7
249.09138	10.5
250.05980	3.9
251.07005	7.7
258.06689	4.6
259.07446	8.5
261.05447	9.3
261.09113	3.3
262.06281	6.7
263.07050	11.4
264.07941	11.8
265.08594	10.3
266.05768	6.3
267.10330	3.1
269.04465	3.6
273.05557	3.7
275.07065	9.5
276.07794	7.7
277.08630	11.9
278.05814	4.9
278.09357	8.7
279.06915	4.7
279.10034	22.5
281.08072	5.7
283.05936	3.2
284.06747	3.9
287.07208	4.2
289.05042	3.4
290.05621	3.0
290.09375	3.2
291.07022	4.5
291.10202	11.6
292.07376	7.2
293.08084	15.7
294.08743	5.6
295.09650	7.1
297.11365	3.8
299.05536	8.9
299.09177	30.5
304.07358	6.3
305.08017	25.8
306.08768	6.6
307.09607	28.7
308.10345	5.7
309.07779	5.4
309.11179	10.4
311.09201	4.3
319.09552	19.0
321.07544	8.2
322.08350	5.8
323.09094	5.2
324.10007	7.7
325.10681	10.6
335.09030	3.0
336.09952	8.5
337.10715	44.8
338.10764	4.3
339.12201	34.8
341.13797	4.8
342.11102	6.3
351.12283	30.5
353.10110	8.1
354.10880	8.1
356.12540	4.4
357.13336	29.6
367.11551	2.8
368.12555	35.9
369.13431	20.3
383.14969	3.0
425.16016	12.0
461.19299	4.6
461.28470	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	461.1443
Annotation	8-Hydroxy-4',7-dimethoxyisoflavone 8-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.19540	0.8
53.03920	0.9
55.05518	1.3
57.07077	1.4
59.05028	0.9
67.05493	3.0
69.03425	4.1
69.07056	3.9
70.06040	5.0
70.06602	2.0
71.04969	1.0
74.06004	0.9
79.05492	2.6
81.03416	2.5
81.07047	3.6
84.08144	1.2
85.02908	3.7
85.06548	2.0
89.86163	1.0
91.05478	3.5
93.07034	3.2
95.04970	2.1
95.08595	2.3
97.02899	1.9
97.06533	0.9
99.04455	1.2
103.05437	1.4
105.07047	2.3
107.04967	4.1
107.08566	2.7
109.02865	1.4
109.06536	1.1
109.10150	2.0
119.04949	1.2
119.08571	2.0
120.23602	0.8
121.06514	2.4
121.10165	1.4
123.04416	1.4
123.08082	1.2
127.03934	2.1
131.04961	2.0
131.08562	2.1
133.02805	1.5
133.10080	3.2
134.03598	2.0
135.04442	1.4
135.11708	1.3
137.05965	6.3
139.03929	1.6
145.06519	1.2
145.10130	1.2
147.04419	4.8
149.05994	1.9
149.09674	1.3
151.07565	2.8
153.05479	1.5
157.10126	1.2
159.08067	1.1
161.02225	1.0
165.05476	1.1
165.09190	2.0
167.07037	2.3
173.05949	1.1
177.05467	4.3
181.06395	1.3
187.07419	1.1
189.09106	1.2
193.04904	1.2
193.08556	1.1
195.09259	1.1
196.05185	1.2
210.06764	3.9
211.07478	0.9
211.09592	2.0
213.05452	1.0
221.05971	1.7
237.05496	3.0
238.06262	11.1
239.06941	2.5
241.04910	2.9
249.05602	2.5
253.10385	1.1
255.06549	1.8
265.05045	2.3
266.05771	11.8
267.06445	4.9
269.04395	4.4
277.33459	1.0
283.06012	11.7
284.06744	14.5
285.07578	3.0
299.09137	100.0
300.09592	9.0
301.10675	1.1
387.14392	1.1
461.14682	3.9
461.19092	1.0
461.28293	1.2
478.01089	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1439
Annotation	8-Hydroxy-4',7-dimethoxyisoflavone 8-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
49.99994	0.5
51.11375	0.5
67.05502	0.9
70.14428	1.1
70.14824	1.7
79.05499	0.7
81.07038	0.5
85.02906	1.0
86.09691	0.5
91.05478	0.6
105.07015	1.0
107.04959	2.7
110.19568	0.6
129.10223	0.6
133.06461	0.6
135.08189	0.7
137.02318	1.0
137.05940	0.7
142.41139	0.5
152.01004	0.9
153.01839	0.9
161.05965	1.9
163.07639	0.7
165.09117	0.7
169.01399	0.9
170.02121	0.8
181.04895	0.6
183.08089	0.7
193.27745	0.6
211.07504	0.7
213.05486	0.7
239.07040	2.7
241.04922	1.8
243.10092	1.3
255.06447	1.2
256.07214	3.5
269.04483	0.9
284.06772	49.5
285.07199	1.7
299.09119	100.0
300.09445	4.5
417.20737	1.1
430.40588	0.6
461.19989	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1441
Annotation	8-Hydroxy-4',7-dimethoxyisoflavone 8-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
57.03444	0.5
65.25919	0.4
69.03415	1.4
69.07054	0.7
70.06592	0.8
71.04982	0.6
71.09006	0.8
71.09339	0.7
79.05489	0.7
81.03421	0.8
85.02896	1.7
91.05460	0.4
93.07044	0.8
97.02843	0.6
107.04974	1.7
121.10194	0.6
123.04417	0.6
123.65115	0.5
127.03886	1.0
133.02837	1.1
134.03664	0.8
135.04375	0.6
135.08008	0.6
137.05980	1.3
138.02951	0.5
139.03932	0.6
147.04388	3.2
153.05522	0.7
162.03154	0.7
167.07028	0.9
177.05431	1.8
185.05923	0.9
191.86757	0.5
196.05199	1.6
197.05881	1.1
199.07649	0.6
205.44882	0.5
210.06708	3.6
210.34679	0.5
213.05493	2.2
214.06393	0.5
221.06012	1.8
227.07309	0.6
237.05542	2.7
238.06223	11.9
239.07071	1.5
241.04970	3.2
248.26097	0.6
249.05482	3.4
250.88942	0.5
255.06650	2.5
256.07175	0.6
265.05057	2.0
266.05725	15.6
267.06546	5.0
269.04486	4.7
283.06042	10.8
284.06815	17.6
299.09137	100.0
300.09503	3.1
333.83783	0.6
410.84702	0.6
461.15576	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1444
Annotation	8-Hydroxy-4',7-dimethoxyisoflavone 8-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.05497	0.9
67.05478	1.8
69.03410	2.0
69.07067	1.5
69.63061	4.7
71.04975	0.7
79.05487	1.5
81.03424	1.9
81.07040	2.5
84.08139	1.0
85.02899	3.4
86.09675	0.9
91.05473	3.1
93.07033	1.6
95.04979	1.9
95.08593	1.7
97.02867	1.8
97.06512	0.7
99.04411	0.8
103.05453	2.1
105.07006	2.7
107.04958	12.3
107.08588	1.0
109.02903	0.7
109.10153	1.4
115.05466	1.1
116.00285	0.6
117.07002	1.5
119.04932	1.1
119.08627	0.6
121.06442	1.0
121.10148	1.2
122.03616	1.0
125.09588	0.8
127.03886	1.1
129.07004	0.8
131.04903	3.6
133.02838	0.6
133.06538	3.1
133.10136	1.1
135.04420	1.0
137.05983	3.1
145.06551	0.7
145.10175	0.7
146.03636	1.0
147.04413	4.6
147.08119	0.7
149.09532	0.7
151.03894	1.0
151.07561	1.0
153.05426	1.3
159.08043	1.3
160.05144	1.0
161.05977	2.9
163.03940	1.5
163.07561	2.2
167.07051	3.0
173.05948	0.9
175.07611	1.4
177.05482	2.2
178.06256	3.2
181.04990	0.7
184.05188	0.8
185.05974	1.8
187.07556	1.7
188.04607	0.8
191.07018	0.9
193.04956	3.8
193.08562	2.4
196.05188	0.9
199.07506	1.0
205.08607	0.8
210.06763	3.1
211.07455	1.0
213.05441	1.6
214.06189	1.3
221.05916	1.3
223.07552	0.7
227.07080	1.0
229.08432	0.7
237.05429	3.1
238.06235	9.4
239.06870	1.3
241.04938	2.1
249.05486	3.1
255.06491	1.9
256.07254	1.0
265.05032	2.1
266.05750	12.0
267.06516	4.2
269.04489	4.7
271.09695	0.8
283.06033	9.2
284.06760	13.3
285.07556	3.1
297.11227	1.4
299.09125	100.0
300.09598	4.5
307.12140	0.8
315.08588	1.3
329.06506	2.3
329.13751	2.2
341.13815	1.7
371.14505	0.6
383.15073	0.9
426.29480	0.8
443.16727	0.9
461.17337	2.4
461.29898	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1439
Annotation	8-Hydroxy-4',7-dimethoxyisoflavone 8-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.28395	0.4
71.57970	0.7
79.05476	0.4
81.03391	0.4
84.08119	0.4
85.02872	0.9
85.06496	0.5
91.05455	0.5
107.04953	10.3
119.08612	0.4
123.04404	0.4
133.02803	1.7
134.03595	1.1
135.04344	1.3
146.03609	0.7
147.04417	4.6
150.03018	0.5
162.03166	0.7
167.06970	0.6
175.03844	0.4
177.05431	1.4
181.06497	0.4
182.07338	0.5
183.08049	0.4
184.05104	1.3
185.05905	1.2
196.05193	1.3
197.05957	1.1
199.07474	0.5
200.04663	0.6
209.05890	0.9
209.11684	0.4
210.06770	5.2
211.07291	0.5
211.13477	0.4
213.05479	2.3
220.05191	0.8
221.06004	2.5
223.80782	0.4
227.06903	0.4
235.05894	0.4
237.05467	3.8
238.06230	12.7
239.06956	1.7
241.04993	4.1
242.05626	0.8
249.05461	4.5
255.06548	2.4
256.07309	0.6
259.05896	0.5
265.04907	3.3
266.05740	16.3
267.06497	6.1
269.04434	5.8
271.05817	0.4
277.07120	1.0
283.06006	13.8
284.06778	24.3
298.39706	0.4
299.09122	100.0
300.09470	3.0
301.06921	0.5
329.10104	0.5
383.11200	0.9
395.11273	1.1
428.66666	0.4
461.14423	35.5
462.14847	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.144
Annotation	7-Hydroxy-5,6-dimethoxyflavone 7-glucoside
Peak:m/z	Relative Intensity
55.68821	0.5
69.07061	0.6
69.71687	0.5
69.94794	2.8
85.02891	1.0
89.19994	0.5
98.20758	0.5
115.57981	0.4
127.03929	0.6
133.06413	0.6
156.36732	0.5
166.28059	0.4
183.08061	1.1
184.03651	2.3
195.17244	0.5
196.05185	0.6
197.05927	0.6
200.08282	0.7
201.81590	0.5
210.06664	0.5
211.07547	1.8
227.07048	1.2
228.07829	1.1
239.07056	3.1
241.05177	0.6
243.10190	3.0
255.06580	0.5
256.07324	6.0
267.06458	1.2
279.63205	0.5
283.05988	1.2
284.06802	16.0
285.07050	0.6
299.09134	100.0
300.09500	4.7
321.21829	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1078
Annotation	Irilone 4'-O-glucoside
Peak:m/z	Relative Intensity
67.05492	0.6
68.99796	1.0
69.35902	3.7
76.09880	0.3
76.70505	0.4
79.05502	0.4
80.38356	0.3
81.03402	0.5
81.07058	0.8
82.56586	0.3
85.02917	0.5
86.04813	0.3
88.51929	0.3
89.03937	0.5
91.05479	0.7
93.07030	0.4
95.04950	0.6
95.08598	0.6
97.02882	0.5
98.20733	0.6
100.11230	0.4
105.07017	0.5
107.04941	0.5
111.33466	0.3
119.08598	0.5
123.00784	2.1
129.07088	0.6
131.04955	2.0
131.08539	0.3
135.11606	0.4
137.02344	0.9
137.05981	0.7
143.04890	0.5
145.06476	0.8
153.01920	0.4
157.06471	0.9
165.09097	1.0
171.04442	0.6
175.03957	0.5
185.06006	1.0
197.05998	0.6
199.03893	1.8
213.05495	4.4
241.04956	25.8
242.05345	0.9
243.06442	0.6
269.04456	23.4
270.04749	0.5
299.05502	100.0
300.05862	3.7
439.00079	0.4
461.29102	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.9
53.03749	0.9
53.03945	12.2
55.01865	5.1
55.05500	4.0
57.03437	6.0
61.02914	3.2
67.05486	3.9
68.99781	8.4
69.03428	40.6
69.07053	1.6
71.01346	2.6
71.04993	9.9
71.58929	1.8
73.02909	3.4
79.05470	3.2
81.03419	60.2
81.07049	6.7
83.04987	7.3
85.02905	68.8
86.09711	1.4
87.00827	13.8
91.05471	3.1
92.13174	1.0
93.07023	2.7
95.04958	3.7
95.08610	2.0
97.02894	20.2
99.04452	20.2
101.02353	1.5
103.03913	3.3
105.01862	5.1
105.07023	2.2
107.08581	1.9
109.02878	45.2
109.06535	1.2
109.10168	1.7
111.00771	2.2
111.04461	4.8
113.02353	1.1
121.02843	1.6
123.04427	3.4
125.02337	1.5
127.03915	100.0
129.01831	4.8
134.38768	1.1
135.04388	1.3
135.11722	2.0
136.95442	1.6
137.05983	1.5
137.80074	1.1
139.03827	1.3
139.80164	1.1
145.04953	6.0
147.02878	1.8
147.08073	1.1
148.95351	1.2
151.03897	2.8
151.94101	1.4
153.01797	1.2
153.43341	1.0
155.03371	1.3
159.02847	1.9
161.06003	1.1
165.09106	3.7
166.96367	1.4
169.04987	1.1
171.02849	5.8
173.04439	2.0
175.54364	1.2
178.96466	4.2
181.04938	1.1
187.06078	2.3
189.03946	8.4
195.02977	1.5
211.04320	1.0
213.03943	15.5
221.03297	1.1
231.04987	6.2
235.05939	1.5
255.05132	1.1
264.96576	2.8
282.97797	1.4
339.07126	3.4
347.53256	1.1
357.08139	1.3
375.09497	1.5
443.08362	2.4
461.09213	3.5
461.23328	10.2
461.29068	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	10.0
55.01866	7.4
57.03441	7.6
61.02909	4.8
63.83568	1.2
64.03126	0.9
65.03925	1.0
67.05483	2.4
68.99784	12.1
69.03426	43.0
70.94852	2.9
71.01334	2.7
71.04986	8.7
73.02888	5.4
76.80377	1.0
79.05464	3.0
81.03413	56.8
82.03715	1.0
83.01330	2.6
83.04983	5.8
84.14431	1.0
85.02902	67.5
87.00828	16.3
91.05432	1.3
95.04948	3.4
97.02882	18.7
99.04452	18.9
103.03908	3.2
105.01859	4.7
105.07020	1.3
107.04951	2.2
108.76447	1.0
109.02872	46.8
111.04440	6.1
113.02357	1.5
119.04926	1.5
121.02840	1.4
123.04436	5.1
124.16251	1.0
124.90202	1.0
125.02345	2.3
126.31973	1.1
127.03909	100.0
128.04298	1.2
129.01816	3.9
129.05421	1.0
135.04362	1.7
137.05936	2.5
139.03903	2.8
140.47340	0.9
145.04939	6.2
147.02872	2.3
147.04388	2.1
151.03877	4.4
155.03419	1.3
155.50630	1.1
158.55035	1.0
159.02863	1.4
161.05923	1.8
163.03894	2.1
165.05466	1.8
167.07019	3.9
169.04973	2.9
171.02892	9.5
173.04430	2.1
181.04929	1.3
185.04359	1.0
187.06036	4.0
189.03909	12.7
189.05412	1.6
190.11313	1.0
193.04970	2.3
195.02940	1.6
207.06534	1.6
213.03893	16.6
217.04997	2.0
231.05022	5.3
231.07176	1.1
235.05896	2.9
241.04971	2.5
253.07082	1.9
255.04918	2.1
269.04465	3.1
271.08087	1.4
273.05936	1.5
299.05432	16.6
299.09024	3.6
339.07092	4.2
357.08295	1.4
368.12344	1.2
425.07407	2.6
443.08051	1.8
461.09131	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	460.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27071	0.6
51.75030	0.6
53.03935	1.9
54.89071	0.6
55.01855	1.5
55.05266	0.9
55.05510	11.5
56.05032	4.3
57.03420	2.1
57.07066	2.9
58.02958	1.4
60.04512	1.6
61.02914	2.2
65.03934	1.5
67.05502	17.6
68.05022	1.5
69.03432	6.3
69.07072	8.8
70.08521	3.6
71.04974	0.7
71.08621	1.0
72.04491	0.7
73.02911	0.7
79.05491	14.9
80.05009	2.1
81.03416	6.3
81.06583	1.0
81.07056	17.0
82.06563	6.5
82.07347	0.7
83.04979	1.0
83.08613	5.9
84.08147	0.7
85.02901	11.1
86.06062	1.8
87.04474	0.8
91.04955	1.2
91.05481	10.1
93.07050	9.2
94.04117	0.6
94.06567	6.0
95.04972	4.0
95.07348	1.6
95.08604	11.6
96.08131	5.2
97.02897	4.1
97.06513	1.5
97.10154	3.5
98.06039	1.9
100.07604	0.8
103.05450	0.8
105.07034	7.1
106.06582	0.9
107.04953	1.3
107.08588	4.8
107.64483	0.6
108.08140	1.6
108.32954	0.7
109.02833	1.3
109.06478	0.9
109.10147	4.5
111.08065	0.8
115.05443	0.7
117.07001	2.3
119.08570	5.4
121.06516	1.6
121.10162	4.1
122.09685	1.3
123.11691	1.7
124.07613	0.9
125.09680	0.8
126.09159	0.7
127.03916	2.2
129.06953	1.7
131.08531	1.4
133.10126	3.5
133.50400	0.6
135.11681	2.1
143.08665	0.8
145.04936	1.4
145.06470	1.4
145.10060	1.1
147.11647	0.6
149.13255	1.8
157.10048	0.9
163.11157	0.7
193.12228	1.0
250.25267	5.7
262.25296	24.9
264.26828	2.8
280.26349	100.0
281.26559	3.0
292.26450	0.6
298.27374	2.8
322.27240	1.1
368.23123	0.9
369.24130	1.3
385.24179	0.7
394.29730	0.7
412.30457	0.8
424.30438	2.5
442.26819	0.9
442.31583	6.4
443.27777	1.3
460.27582	2.4
460.32797	2.8
461.28836	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	460.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
64.60913	1.0
69.03421	2.3
70.74226	3.3
85.02911	5.8
85.88329	0.9
86.09695	2.5
91.05534	0.9
95.04953	1.1
95.08610	4.5
97.02872	1.4
97.06509	1.8
104.92905	0.9
105.07047	1.7
123.08063	57.8
124.08377	1.1
127.03902	1.2
139.03911	3.2
145.04996	1.8
151.03847	1.3
157.10130	1.2
159.08017	1.5
161.09613	1.5
163.03954	1.1
163.07430	1.4
165.09114	100.0
166.09499	1.5
171.11769	1.3
177.05441	1.4
195.06535	1.0
199.11215	1.3
200.06979	1.1
203.10716	1.6
210.11546	1.0
226.10120	1.0
227.10683	1.2
233.11769	3.2
234.72917	1.1
245.11774	2.3
251.38396	1.1
259.24411	1.0
263.12778	18.9
335.38229	1.0
400.19922	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	5.4
57.03415	3.1
60.54868	2.6
67.05492	22.4
69.07046	7.4
69.25631	25.1
69.26054	10.4
69.83885	2.9
79.05474	8.5
81.07067	20.4
83.08614	5.0
91.05482	4.5
93.07040	8.6
95.08609	18.0
98.06055	4.1
98.98452	22.6
107.08598	3.5
109.10149	5.9
117.33453	3.6
119.08576	4.1
121.10118	5.5
123.11738	3.4
155.01035	37.5
245.22580	9.4
263.23767	22.9
301.00015	3.2
306.27908	18.9
334.55630	2.8
337.27356	5.0
351.23267	4.0
391.14886	4.1
460.28214	15.6
460.35840	100.0
461.28702	3.6
461.35355	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	460.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	7.6
70.06588	5.3
70.47903	3.4
71.37959	7.3
72.08134	12.8
84.08123	9.8
86.09692	11.5
103.05462	10.3
120.08103	100.0
121.08495	3.9
129.10257	6.8
137.05998	6.3
152.02084	3.3
153.01836	4.8
154.65474	3.3
166.08641	46.4
203.91663	3.2
258.73254	3.4
308.06738	3.7
313.37604	3.5
337.07129	8.0
349.06934	4.8
350.96005	3.8
382.10464	5.3
413.25555	3.7
448.61108	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	460.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.4
55.01877	9.4
59.58590	6.3
61.02936	7.4
61.54359	5.8
69.03416	27.3
70.49854	11.6
70.50242	20.6
81.03407	26.9
81.07046	7.0
83.01315	5.9
85.02901	88.0
87.00820	27.7
91.05479	15.7
95.04968	7.5
97.02885	25.7
99.04438	13.1
105.01859	22.8
106.80988	6.9
109.02871	28.3
127.03906	55.1
139.03877	7.4
141.01828	6.5
145.04950	23.4
147.04491	8.1
148.34232	6.4
153.01839	12.1
154.06297	37.9
154.34514	6.4
159.02901	11.4
163.07501	33.6
163.89903	5.6
188.66519	5.9
188.68456	7.3
195.10194	100.0
231.04936	15.9
261.78656	5.9
284.07004	6.6
299.09055	24.2
419.68509	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	460.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.0
71.57018	1.5
72.08154	100.0
84.08131	3.2
84.60583	1.0
85.02902	3.5
86.03748	0.9
86.09746	1.0
97.02931	1.2
112.37183	1.0
118.08652	78.3
127.03913	1.8
142.00932	0.9
145.04951	1.9
154.75029	1.1
173.02866	1.1
216.82318	1.0
230.08759	1.7
248.10023	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	72.4
56.96537	6.8
57.03437	7.7
61.76497	7.1
67.05502	71.6
69.07061	21.1
69.40493	63.1
79.05497	68.2
81.03378	13.3
81.07059	50.8
83.04984	7.8
83.08638	31.8
91.05473	61.3
93.07069	34.7
95.04937	13.4
95.08583	20.3
97.10170	64.8
103.05453	23.1
105.07033	39.9
107.04941	11.6
107.08577	23.8
109.06554	8.8
109.10139	16.8
115.05444	13.2
117.07034	54.2
119.08568	24.6
125.09615	41.6
128.06247	11.4
129.07024	36.3
131.04974	7.4
131.08574	37.6
133.06462	10.6
133.10130	10.8
135.08051	10.1
141.06967	11.9
143.08540	18.3
145.06453	24.2
145.10123	23.3
149.09682	9.0
155.08521	15.7
157.10089	11.5
159.08051	8.5
159.11755	6.9
165.09041	14.4
167.08542	14.5
169.10123	16.2
169.70982	6.4
171.11630	11.9
184.07344	7.2
185.13319	9.9
187.11243	8.9
187.14856	19.0
189.11176	29.0
197.13277	17.5
213.12778	12.9
215.14322	100.0
221.60838	7.4
227.12738	30.1
349.21564	24.0
367.22723	51.3
369.83893	6.4
385.23718	26.8
412.26935	6.9
441.26273	39.7
459.27484	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	459.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60772	1.3
53.03941	6.2
55.01871	7.2
55.05508	28.8
56.71324	1.3
57.03428	5.0
63.27891	1.1
65.03940	2.7
67.05500	32.0
69.03414	4.1
69.07069	9.7
71.04983	4.7
71.33042	1.9
71.33385	1.3
79.05488	32.9
81.03415	100.0
81.07054	30.1
83.04973	8.1
83.08142	1.7
83.08618	23.9
91.05479	37.1
93.07039	21.0
95.04964	33.3
95.08599	15.2
97.02882	1.8
97.06517	3.5
97.10158	14.1
103.05493	1.9
105.07029	28.1
107.04949	15.8
107.08576	14.3
109.06501	7.6
109.10150	7.1
111.04433	1.7
111.08081	6.8
112.71761	1.2
115.05455	5.0
116.06212	1.7
117.07021	12.3
119.04973	2.7
119.08572	17.7
121.06520	13.7
121.10144	6.6
123.04423	3.1
123.08082	4.7
125.09645	8.6
128.06227	2.8
129.06998	20.3
129.07899	1.8
131.04897	4.2
131.08551	16.2
133.06494	10.8
133.10129	7.5
135.04303	1.5
135.08049	5.7
135.11671	2.3
137.05983	1.6
137.09648	3.5
141.07021	4.7
142.07808	2.4
143.04858	1.4
143.08517	7.2
144.05716	4.1
145.06471	25.8
145.10115	7.3
147.04475	2.3
147.08008	7.1
147.11702	9.3
149.09607	6.8
153.09070	2.4
155.08522	5.9
157.06474	4.7
157.10100	12.6
159.08052	5.8
159.11681	2.3
160.71043	1.3
161.05992	2.9
161.09642	3.1
163.11139	3.0
165.06992	2.3
165.09186	1.7
165.12709	1.8
167.08594	2.4
169.06422	2.1
169.10135	3.2
171.08060	5.4
171.11711	3.8
173.09578	2.4
175.11172	11.4
177.12840	2.0
179.08578	1.2
181.10201	2.5
183.08107	2.5
185.09630	2.7
189.11230	6.6
189.12767	1.9
193.10420	2.5
193.12233	50.0
195.07973	1.7
195.11703	4.8
197.09666	2.8
197.13287	4.3
199.11148	2.0
205.12158	2.2
209.13434	1.7
211.11243	1.3
213.12712	3.0
215.14294	4.8
223.11108	1.7
225.12749	2.1
226.36057	1.6
227.14386	3.3
231.13879	1.7
233.15457	4.0
235.36330	1.6
237.12752	3.1
243.13789	1.7
249.14896	3.7
255.13725	6.1
257.15320	2.8
266.64029	1.4
273.14865	16.6
275.16351	1.5
283.16769	1.4
298.25864	1.3
321.22095	1.9
331.20734	1.7
339.23230	4.6
349.21597	14.1
357.24194	4.5
367.22641	32.1
385.23697	29.0
386.24234	1.4
403.24622	6.3
405.24237	1.7
411.02496	1.5
441.26566	4.1
459.27390	68.6
460.27393	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	459.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62500	2.3
53.03937	9.6
55.01860	8.5
55.05509	38.3
57.03418	8.1
59.44400	1.8
60.24866	2.0
67.05502	42.0
69.03427	5.5
69.07079	11.5
69.46763	2.2
70.26195	4.1
70.26617	6.0
71.04990	5.4
79.05487	43.1
81.03416	98.2
81.07052	37.1
83.04968	8.0
83.08617	26.5
87.42899	2.2
91.05479	40.9
93.07040	28.6
95.04967	34.9
95.08606	16.6
97.02891	3.7
97.06525	4.6
97.10155	21.2
98.10734	1.8
105.07027	31.7
107.04962	21.1
107.08595	16.8
109.06506	7.5
109.10152	6.7
111.04435	2.8
111.08070	12.8
113.05987	2.7
115.05412	3.3
117.07030	13.2
119.08572	23.7
121.06507	17.9
121.10125	7.4
123.04458	2.8
123.08078	6.1
123.11686	2.7
125.09642	16.3
127.39827	2.1
128.06224	5.1
129.06151	2.4
129.07011	21.2
131.04913	6.1
131.08560	17.5
133.06477	14.8
133.10135	7.8
135.08054	6.7
135.11642	3.1
137.09613	5.1
141.06932	4.5
142.07803	4.3
143.07317	1.6
143.08498	9.8
144.05688	4.2
145.06491	36.4
145.10110	7.6
147.04419	3.9
147.08057	14.1
147.11679	10.8
149.09621	9.2
153.09106	2.6
153.12662	2.6
155.08536	5.6
157.06502	10.5
157.10118	16.4
159.08037	9.2
161.06006	6.2
161.09596	5.1
163.07607	2.1
165.09169	2.8
165.12746	3.3
167.08493	3.1
169.10194	4.9
171.08089	7.9
171.11665	4.7
173.09624	4.9
173.13342	2.4
175.07521	2.1
175.11185	16.0
177.12921	2.1
181.06369	2.1
181.10141	3.0
183.11681	2.4
185.09663	3.1
185.13252	4.3
189.11223	9.5
189.12709	3.8
193.12236	57.9
195.11703	5.8
197.09642	3.2
197.13284	6.2
199.11241	4.5
199.52191	2.2
205.12198	3.9
209.13246	3.1
211.11217	4.2
211.13139	2.7
213.12744	4.2
225.12833	3.1
227.14307	3.8
231.13863	2.5
233.15326	3.7
237.12788	2.2
245.15479	2.6
249.14897	5.8
255.13837	7.3
271.16864	2.9
273.14798	24.5
281.15527	2.4
287.16296	3.2
297.97598	2.0
318.83038	2.6
321.21896	2.5
331.20358	2.3
339.23254	8.8
349.21664	23.8
357.24124	6.3
367.22687	56.1
385.23752	46.6
403.24683	15.2
441.26468	9.3
459.27377	100.0
460.27890	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	459.274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07560	2.0
53.03938	5.0
55.01873	10.4
55.05509	63.3
57.03431	5.8
59.04954	2.8
59.32434	2.4
64.29830	1.8
65.03922	3.4
67.05502	54.5
69.03408	6.6
69.07068	18.1
69.91664	6.7
69.92075	4.8
71.04992	5.4
79.05067	4.1
79.05491	63.6
80.02410	2.4
80.05853	2.5
80.53679	1.9
81.03423	11.3
81.07050	45.9
83.04960	8.6
83.08623	32.9
85.06523	3.6
91.05476	54.8
93.07047	25.8
94.88861	1.9
95.04942	12.2
95.08605	16.8
97.06514	4.0
97.10164	50.9
99.08073	2.1
103.05465	26.1
105.07023	38.0
107.04940	14.3
107.08596	32.3
109.06496	3.9
109.10160	11.7
111.08046	5.6
115.05452	16.6
116.06212	2.3
117.07014	62.7
119.04939	3.2
119.08594	23.8
121.06478	3.7
121.10130	7.2
123.08006	3.3
123.11687	2.9
125.08756	3.6
125.09626	45.4
128.06206	7.3
129.06999	35.9
130.07742	2.2
131.04941	6.5
131.08572	48.6
133.06500	12.6
133.10129	9.7
135.08064	17.1
135.11665	4.5
139.03893	10.9
141.06999	11.9
142.07793	3.0
143.08557	19.4
143.10730	2.3
145.06499	22.2
145.10124	15.6
147.08040	5.1
147.11652	4.0
149.09627	7.0
153.01918	2.3
153.06984	4.6
153.09103	5.7
155.08514	20.5
156.09277	2.2
157.06453	10.9
157.10121	10.6
159.08072	7.6
159.11719	5.1
163.11157	3.2
167.08563	6.7
169.10094	14.5
171.08052	6.4
171.10199	5.2
171.11688	8.2
173.09686	3.0
173.13229	4.7
181.10046	6.6
183.07971	3.4
183.11702	4.6
185.09680	3.8
185.13260	4.9
187.14809	17.9
189.11208	31.7
193.10075	3.2
193.12250	8.2
195.11623	4.7
197.13223	22.6
199.11069	4.0
207.11693	2.5
209.13243	3.7
211.14650	2.4
213.12741	7.1
215.14297	100.0
223.11214	2.7
227.12723	37.3
231.13853	3.3
233.15363	4.3
237.12750	2.8
239.14250	3.0
241.12216	6.1
245.13658	3.4
253.15822	3.3
255.13770	2.9
259.13226	3.1
269.15463	2.6
271.16913	6.6
287.25208	2.2
321.22244	3.0
339.23203	7.9
349.21671	17.4
357.24054	4.1
367.22644	44.1
368.22653	2.3
377.38602	2.0
385.23727	30.1
403.24738	8.8
423.25385	2.6
441.26367	51.0
442.26822	2.8
459.27356	80.1
460.27814	3.0
475.24829	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12724	9.0
51.26976	9.1
53.03925	9.1
55.05502	23.1
57.07064	15.5
67.05490	36.0
69.03436	23.8
69.07087	22.4
70.06605	13.5
71.04968	15.7
74.06081	18.0
79.05489	17.8
81.03417	23.9
81.07060	23.6
83.04988	9.7
83.08608	22.0
85.02892	43.1
85.06533	11.9
86.09714	54.1
87.00867	11.7
91.05464	16.1
93.07030	28.6
95.04961	13.9
95.08582	45.7
99.08092	44.2
100.11246	14.4
105.01905	12.2
105.07038	16.1
107.04935	11.0
107.08600	40.8
109.02898	23.5
109.06526	12.1
109.10142	100.0
113.38189	10.2
117.06967	10.8
119.08584	42.8
121.10151	15.2
123.04442	10.4
123.08060	19.2
123.11712	12.0
127.03904	27.3
133.10121	38.6
135.11655	82.7
137.05968	19.8
137.09602	23.9
139.03905	15.9
149.13211	12.2
151.11241	13.9
153.01736	19.1
159.02902	12.8
161.44057	10.6
162.67227	9.5
173.09726	9.5
175.03952	9.9
175.14815	29.0
177.05495	12.5
182.15398	13.0
193.15839	54.4
196.98039	8.5
203.78725	9.1
210.14871	13.0
211.09782	9.7
211.16904	87.6
223.09595	20.6
229.62405	11.4
235.09604	25.2
238.51633	11.3
255.10245	11.1
259.09543	13.3
277.10788	17.0
289.10675	13.0
297.07584	47.3
301.10632	18.5
313.15860	36.6
322.59769	10.3
441.10828	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	459.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61043	3.1
55.05504	5.3
65.91196	3.3
67.05511	19.8
69.03425	8.8
69.07055	10.9
69.27787	27.0
69.28199	8.9
72.08129	5.1
79.05487	3.8
81.03421	9.3
81.07053	21.7
83.04984	9.4
83.08620	6.4
85.02901	7.5
86.09702	4.0
91.05482	5.3
93.07053	8.7
95.04947	5.3
95.08607	32.8
97.02881	4.9
99.08000	3.3
105.07031	10.2
107.08575	25.8
109.06488	7.8
109.10151	100.0
119.08569	35.1
121.10146	10.1
123.08067	12.7
123.11689	8.0
127.03910	4.7
129.85318	2.8
133.10121	18.5
134.99414	3.4
135.11681	83.8
137.09645	12.9
145.10144	3.9
149.13280	5.1
151.11186	10.4
151.14832	14.0
161.55289	3.3
165.16490	4.2
175.14816	42.3
193.15881	49.1
211.03815	5.1
211.16920	83.4
287.01450	3.6
297.07709	3.7
313.59064	4.1
359.72061	3.9
368.71744	4.0
376.68414	3.3
459.08759	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	10.3
67.05509	19.4
69.03417	13.1
69.07065	11.8
69.77274	42.4
81.07034	17.8
83.04978	13.5
83.08599	10.0
85.02902	12.1
87.00798	7.4
87.25069	6.2
93.07049	10.3
95.08595	27.8
107.08598	32.4
109.06489	16.0
109.10156	100.0
119.08582	26.2
121.10110	13.6
123.08092	10.9
133.10135	18.3
135.11687	88.5
137.09642	19.4
139.63562	7.2
141.55803	6.3
151.11191	13.0
151.14818	10.0
175.14819	39.2
193.15869	54.3
211.16917	88.2
249.85266	6.9
263.81189	7.3
368.94449	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	459.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75819	0.5
53.00296	0.8
65.03929	1.1
67.05470	0.8
68.34192	0.5
69.03396	0.6
70.06578	1.2
71.57990	0.9
72.08157	0.7
74.41482	0.6
79.01841	2.3
85.02897	0.8
86.09690	2.4
95.05006	0.8
95.08580	0.5
97.02917	0.7
97.90055	0.6
101.32602	0.6
107.04940	0.8
111.00767	0.8
111.04441	2.2
121.02852	1.2
123.04436	3.1
123.08078	2.5
123.78025	0.6
125.02358	1.3
129.04025	0.6
135.04453	0.6
139.03899	100.0
140.04219	2.2
143.03406	2.8
150.75972	0.5
151.03914	8.1
153.01831	23.1
153.02881	1.0
153.05394	0.5
153.12828	0.7
154.02216	0.7
163.03915	5.6
165.09143	3.3
177.05508	1.0
179.07057	0.8
181.04926	3.0
193.12027	1.0
195.13487	0.5
201.05649	0.5
203.05289	1.3
205.04933	2.9
211.13042	3.6
216.36668	0.6
227.05417	0.8
230.97878	0.7
243.04738	0.7
245.06335	3.2
247.06306	0.6
253.12889	1.1
263.12967	0.7
287.03714	7.1
289.05069	13.8
307.08127	1.5
318.82214	0.5
373.18228	3.6
413.00058	0.8
415.19446	17.0
416.19775	0.7
436.01794	1.6
459.18390	64.8
460.18600	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75413	2.6
55.01873	5.3
55.05501	6.2
65.03930	3.1
67.05489	10.6
69.03418	6.8
69.07046	8.9
69.52747	17.9
70.06586	4.0
71.61137	2.3
72.08164	3.1
74.06078	5.8
78.04725	2.8
79.05470	10.4
81.03410	9.5
81.07044	15.3
83.04958	3.7
84.08113	4.0
85.02890	7.9
85.06538	3.8
86.06061	4.8
86.09701	59.9
91.05489	18.9
93.07027	11.5
95.04952	7.7
95.08598	9.0
97.02885	4.2
97.06526	5.0
103.05459	7.5
105.07005	21.1
107.04939	9.9
107.08587	7.1
109.06501	4.6
109.10136	5.9
111.04455	4.9
115.05457	9.6
116.06164	2.9
117.07001	7.5
118.11576	2.8
119.04998	3.4
119.08562	7.7
120.05628	2.6
121.06493	5.4
121.10172	2.5
123.04431	13.1
125.05980	8.3
125.09611	5.8
126.05493	7.8
127.03900	2.9
128.06184	3.6
129.06985	8.6
131.04893	5.9
131.08549	6.2
132.05698	6.5
133.06483	13.0
133.10147	4.1
134.10495	3.0
136.06177	2.5
136.07526	2.7
137.05949	10.7
139.03937	25.2
143.08562	3.7
145.06453	8.2
145.10168	2.7
146.16684	2.4
147.04404	4.4
147.08035	5.5
147.11691	3.3
149.09590	2.5
151.03917	7.3
151.07555	14.4
153.01764	6.3
153.05438	14.4
156.05621	2.7
157.10025	2.7
157.13400	4.1
159.08038	10.5
160.05121	5.1
161.05991	19.9
162.06480	2.4
163.03911	4.2
165.12698	4.5
166.06223	3.8
167.07043	100.0
169.06386	3.0
171.04356	3.1
171.08127	3.7
172.05223	3.9
173.05984	5.7
175.07535	38.5
176.07883	2.9
177.05418	3.6
178.05212	2.5
179.07059	3.3
185.05782	2.8
187.07535	22.1
189.08986	3.3
191.07008	7.3
191.08542	8.5
197.09331	6.5
199.07552	8.5
202.07791	7.8
203.08551	10.5
209.08025	9.6
209.15390	3.7
211.09700	3.3
217.06558	2.9
218.07214	3.7
219.08035	13.7
220.08771	3.4
221.06030	3.3
231.08121	14.8
232.07010	7.5
233.05945	4.0
233.09695	4.0
234.06699	8.5
235.07538	8.0
236.08241	3.6
237.09093	3.7
245.06018	4.8
245.09573	5.4
246.06825	2.3
247.07521	11.4
248.08313	6.3
249.05681	3.5
249.09105	12.8
250.06146	5.2
251.07130	3.8
253.08524	3.7
255.08556	9.4
259.07590	7.4
260.08191	3.2
261.05453	3.6
261.09067	9.8
262.06085	3.1
263.07083	7.0
263.10638	9.5
264.07764	7.7
265.08545	12.4
266.09351	3.4
273.08994	3.3
275.06976	7.2
275.10541	2.7
276.07751	10.8
277.08530	16.1
278.09338	3.0
279.10120	6.0
281.11813	6.5
287.06964	3.3
289.08539	7.5
290.09424	6.7
291.07187	3.0
291.10098	16.9
292.02408	2.7
292.10889	2.8
293.08075	14.1
293.11456	5.7
298.10703	3.0
300.19296	6.8
301.08447	5.0
304.07324	5.3
305.08020	8.8
306.08502	4.7
307.09564	6.3
308.10367	9.5
309.11115	7.8
311.12845	3.9
312.13486	3.0
319.09628	17.9
320.10498	4.3
321.07648	4.9
321.11133	18.0
323.12766	5.6
334.11774	7.6
337.10718	17.2
337.14462	4.1
339.12259	97.6
340.12994	26.1
351.12256	79.5
352.13028	41.6
353.13617	4.6
363.12271	4.3
364.12878	4.8
383.14700	16.4
395.15134	15.7
441.15488	17.2
459.15973	13.8
459.25861	11.9
459.38052	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	459.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	12.8
54.26695	3.1
55.01864	17.4
55.05499	13.2
56.96567	5.5
57.03423	9.4
57.07092	6.8
60.70171	3.0
61.02912	10.2
67.05492	12.8
68.99783	11.0
69.03432	41.9
69.07049	9.1
70.70867	7.3
71.04947	4.5
73.02905	10.4
74.58348	3.5
76.62212	3.0
79.05479	14.9
81.03415	56.0
81.07045	13.4
83.04998	7.0
83.08624	7.8
85.02903	100.0
85.06535	11.1
87.00826	43.6
91.03933	5.0
91.05475	13.9
93.07043	15.9
93.92787	2.7
95.04945	15.3
95.08611	8.2
97.02900	39.7
97.06535	6.2
97.10177	4.5
98.97543	3.8
99.04472	16.8
103.05444	4.1
105.01855	27.2
105.07013	15.0
107.04930	13.2
107.08586	10.9
108.04475	10.5
109.02885	42.2
109.06522	3.8
109.10165	6.8
110.26531	3.5
111.04486	3.4
117.01815	5.1
117.07016	6.1
119.04951	4.6
119.08564	9.1
121.06531	6.6
121.10117	4.1
123.04416	14.0
125.09602	5.5
126.05582	3.6
127.03912	69.7
129.01935	7.5
129.07013	4.8
133.10176	6.6
135.08002	7.8
137.02365	3.2
137.05977	9.3
139.03896	22.6
143.08577	4.8
145.04968	29.3
145.06483	7.4
147.02919	4.0
147.04376	20.1
147.11699	4.3
151.03882	27.0
154.06262	23.4
155.03389	32.6
159.02878	28.9
161.05978	8.0
163.03903	3.4
163.07556	17.5
165.05418	4.6
165.09093	23.3
167.07010	6.2
169.04988	4.3
173.05923	3.8
175.03902	6.5
179.03395	5.0
189.05501	5.5
189.09106	7.1
190.11081	3.5
193.04898	4.2
193.08549	8.7
193.12199	12.5
195.10172	65.5
199.11613	4.7
205.08638	5.0
207.10072	4.2
211.09631	92.5
211.11502	6.7
212.09933	4.0
217.04950	8.5
217.08582	8.1
231.04991	13.1
235.05951	5.3
235.09610	46.0
245.04346	3.9
247.07420	3.4
248.07697	4.0
253.10712	42.7
271.13696	5.2
277.10733	32.0
280.14291	26.3
280.64548	8.0
283.09818	4.6
301.10693	24.8
308.09671	4.5
319.11661	22.9
367.22644	11.7
385.23749	7.1
405.11609	5.0
459.18536	3.9
459.27203	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	459.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.2
55.01872	12.5
55.05494	6.6
57.03424	10.3
57.07072	13.4
61.02917	8.3
67.05510	22.9
68.99785	12.1
69.03430	21.5
69.07078	5.1
70.06575	2.4
71.05002	5.8
73.02905	5.3
79.05487	12.7
81.03414	31.5
81.07051	14.2
83.01355	2.6
83.04977	4.5
83.08604	3.3
85.02905	62.2
85.06543	33.5
86.55988	2.2
87.00831	23.8
90.24017	2.3
91.03924	3.2
91.05472	10.0
93.07036	9.8
95.04960	8.0
95.08574	5.4
97.02896	17.8
97.06545	4.0
99.04442	10.7
103.03941	2.9
105.01870	13.9
105.02470	2.2
105.07034	9.7
107.04955	7.8
107.08597	7.9
109.02894	27.8
109.06515	14.5
109.10121	5.1
111.08111	2.5
115.05482	2.5
117.01900	3.3
117.07009	3.9
119.04947	3.7
119.08589	7.6
119.71999	2.3
121.06506	4.6
121.10119	2.8
123.04449	14.6
123.08080	4.5
125.05952	3.0
125.09633	5.5
127.03915	38.8
127.07540	15.1
128.06190	3.9
129.01848	8.3
129.06950	5.1
131.04901	3.2
131.08569	6.1
133.06451	3.7
133.10114	6.3
135.04396	4.3
137.05977	5.1
137.09651	3.8
139.03882	15.8
143.08559	4.2
144.05836	2.1
145.04974	19.2
145.06471	10.3
145.10101	2.7
147.02872	4.3
147.04425	14.1
147.08046	4.7
147.11597	2.4
149.06000	5.4
151.03896	11.0
151.07565	6.3
153.01886	11.2
153.05495	3.5
155.06036	2.6
157.06480	3.0
159.02881	16.5
159.08017	5.1
160.05222	2.4
161.06015	5.8
163.03934	3.7
165.09142	12.0
167.07050	4.5
169.08623	3.1
171.07957	2.7
171.11752	3.3
173.09607	2.5
175.03918	2.6
175.07574	7.2
175.11134	3.0
175.14705	2.7
177.05443	6.6
189.05449	4.6
189.09048	12.7
191.07054	4.5
193.08589	37.2
193.12247	4.8
193.15842	3.0
194.92607	2.2
199.07579	2.2
203.10774	2.4
205.08591	6.4
211.09647	100.0
211.16977	2.9
213.09111	3.4
217.05002	7.8
217.08549	20.5
223.09526	2.6
231.04875	5.6
231.10207	5.6
235.06026	6.7
235.09659	53.1
244.17616	2.3
253.10728	32.5
255.10197	4.7
259.09689	8.9
273.11252	4.4
277.10696	32.9
283.09659	4.8
297.07574	81.6
298.08035	2.9
301.10742	22.2
319.11774	25.5
367.22592	8.4
385.23810	6.2
389.98346	2.8
459.27591	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	459.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	12.8
54.26695	3.1
55.01864	17.4
55.05499	13.2
56.96567	5.5
57.03423	9.4
57.07092	6.8
60.70171	3.0
61.02912	10.2
67.05492	12.8
68.99783	11.0
69.03432	41.9
69.07049	9.1
70.70867	7.3
71.04947	4.5
73.02905	10.4
74.58348	3.5
76.62212	3.0
79.05479	14.9
81.03415	56.0
81.07045	13.4
83.04998	7.0
83.08624	7.8
85.02903	100.0
85.06535	11.1
87.00826	43.6
91.03933	5.0
91.05475	13.9
93.07043	15.9
93.92787	2.7
95.04945	15.3
95.08611	8.2
97.02900	39.7
97.06535	6.2
97.10177	4.5
98.97543	3.8
99.04472	16.8
103.05444	4.1
105.01855	27.2
105.07013	15.0
107.04930	13.2
107.08586	10.9
108.04475	10.5
109.02885	42.2
109.06522	3.8
109.10165	6.8
110.26531	3.5
111.04486	3.4
117.01815	5.1
117.07016	6.1
119.04951	4.6
119.08564	9.1
121.06531	6.6
121.10117	4.1
123.04416	14.0
125.09602	5.5
126.05582	3.6
127.03912	69.7
129.01935	7.5
129.07013	4.8
133.10176	6.6
135.08002	7.8
137.02365	3.2
137.05977	9.3
139.03896	22.6
143.08577	4.8
145.04968	29.3
145.06483	7.4
147.02919	4.0
147.04376	20.1
147.11699	4.3
151.03882	27.0
154.06262	23.4
155.03389	32.6
159.02878	28.9
161.05978	8.0
163.03903	3.4
163.07556	17.5
165.05418	4.6
165.09093	23.3
167.07010	6.2
169.04988	4.3
173.05923	3.8
175.03902	6.5
179.03395	5.0
189.05501	5.5
189.09106	7.1
190.11081	3.5
193.04898	4.2
193.08549	8.7
193.12199	12.5
195.10172	65.5
199.11613	4.7
205.08638	5.0
207.10072	4.2
211.09631	92.5
211.11502	6.7
212.09933	4.0
217.04950	8.5
217.08582	8.1
231.04991	13.1
235.05951	5.3
235.09610	46.0
245.04346	3.9
247.07420	3.4
248.07697	4.0
253.10712	42.7
271.13696	5.2
277.10733	32.0
280.14291	26.3
280.64548	8.0
283.09818	4.6
301.10693	24.8
308.09671	4.5
319.11661	22.9
367.22644	11.7
385.23749	7.1
405.11609	5.0
459.18536	3.9
459.27203	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	459.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.01883	1.5
55.05516	2.2
55.05775	0.3
57.03435	2.0
57.07084	1.5
63.86866	0.3
64.83057	0.3
65.03957	0.3
65.99030	0.3
67.05506	7.2
68.99783	3.4
69.03429	3.3
69.07061	0.5
69.32688	1.1
69.33104	2.5
70.81052	0.3
70.89783	0.3
73.02918	0.8
79.05493	3.0
81.03417	9.5
81.07053	5.1
83.05009	0.6
83.08626	1.4
85.02904	7.8
85.06547	11.1
87.00838	2.4
90.69866	0.3
91.05481	2.9
93.07059	1.6
95.04965	2.8
95.08601	2.7
97.02891	3.0
97.06554	0.4
97.10178	0.8
98.21558	0.7
99.04454	1.5
99.08115	0.4
105.01862	1.9
105.07035	2.0
107.04979	1.2
107.08601	2.1
109.02882	4.0
109.06516	9.2
109.10158	0.8
111.00819	1.2
117.06987	0.7
119.08588	2.3
121.06519	1.1
123.04424	10.6
123.08072	7.0
125.09647	2.1
127.03915	9.2
127.07552	5.4
129.01831	0.7
129.06996	1.5
131.08563	1.2
131.52228	0.3
133.06511	0.9
133.10101	0.3
135.04414	0.3
137.05981	1.5
137.09593	1.6
138.15323	0.4
139.03886	2.7
141.07051	0.3
143.08577	0.6
145.04967	2.1
145.06482	1.1
145.10115	0.7
147.02811	0.4
147.04405	0.3
147.08092	2.6
147.11699	1.0
149.05981	0.5
151.03917	3.0
151.07539	2.8
153.01765	0.4
153.08925	0.3
155.03387	1.5
157.06554	0.4
157.10143	0.5
159.02875	2.0
160.05173	0.6
164.04677	1.0
165.05449	1.1
165.09114	16.2
166.09384	0.6
169.08676	2.0
169.09995	0.5
175.07552	3.5
175.11122	0.5
193.08606	49.3
193.12198	2.7
194.08862	1.7
211.09648	100.0
212.09991	2.4
222.25723	0.4
231.04956	1.0
235.09616	0.8
253.10701	0.5
259.09564	0.4
273.14798	1.3
294.90280	0.4
301.10764	0.4
319.11600	0.5
348.43753	0.3
349.21542	1.2
357.24142	0.4
358.00964	0.3
367.22675	1.9
385.23672	1.7
407.83490	0.4
441.25751	0.4
459.27390	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	459.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00106	0.5
53.03941	0.8
55.01873	2.9
55.05481	0.5
57.03425	1.8
61.02896	0.7
65.03927	2.6
67.05495	1.4
68.99790	1.8
69.03421	1.6
70.06581	0.8
72.08144	1.7
73.02903	0.9
79.01830	1.2
79.05475	2.7
81.03422	4.8
81.07049	1.5
83.01349	2.0
83.04971	2.0
85.02900	11.3
86.09693	1.0
89.03896	0.8
91.05473	4.2
93.03406	9.0
93.07049	1.2
95.01308	1.5
95.04957	3.0
97.02883	2.2
97.12144	0.6
99.04349	0.6
103.03939	2.9
103.05439	1.8
105.03411	0.9
105.07009	2.0
107.01288	1.6
107.04943	5.2
109.02879	6.8
109.06541	4.0
110.03685	0.8
111.00809	1.2
111.04430	4.7
115.05453	1.5
119.04916	5.9
121.02860	8.6
121.06483	2.5
123.04422	5.0
125.02334	1.3
127.03902	1.9
131.04904	3.4
133.02795	1.6
133.06503	2.9
135.04422	3.5
137.02374	1.4
137.05963	4.0
139.03899	24.0
141.01802	0.7
143.03438	0.6
143.04924	1.1
145.02856	1.3
145.06482	1.0
147.04413	8.5
149.02357	4.2
149.06004	1.7
151.03885	5.5
153.01820	7.3
159.04411	4.8
161.02345	1.6
161.05989	4.6
163.03891	6.2
165.01859	1.2
165.05482	2.3
171.04427	1.2
171.14836	0.6
173.02354	3.0
173.05971	1.2
175.00259	2.3
175.03911	2.2
176.04578	0.7
177.01842	5.9
177.05431	5.2
179.03386	2.0
181.04967	0.7
183.04405	0.8
187.03891	6.1
189.01822	7.0
189.05525	1.9
191.03362	6.5
193.01279	1.7
193.04941	0.7
195.02885	13.7
199.03963	1.2
201.01831	1.1
201.05457	2.5
203.03384	2.9
205.01405	3.6
205.04939	6.4
206.05333	0.6
207.02878	17.2
208.02890	0.9
209.04424	1.8
215.03397	2.9
217.04916	1.3
219.02884	67.6
220.03239	1.2
221.04454	1.9
223.02345	8.9
225.03925	19.4
227.03505	1.0
229.05032	3.9
231.02856	2.5
233.04453	19.8
235.02403	0.7
237.03957	1.8
243.02908	2.2
245.04477	2.5
247.02541	0.7
247.05998	2.1
249.03893	4.8
251.05386	3.6
257.04388	3.6
259.02444	1.6
261.03940	100.0
262.04218	1.8
265.07181	0.8
273.03918	14.9
275.05478	2.3
285.03973	10.8
287.05621	0.8
289.06958	1.0
291.04971	12.5
297.07559	1.8
303.04993	31.6
309.07550	2.7
321.06027	15.5
325.07092	4.3
327.08615	21.3
327.12573	0.9
339.07892	24.1
340.08997	0.7
349.88214	0.7
381.09695	12.5
393.09662	14.1
405.09836	4.8
423.10693	4.4
440.98065	0.7
441.11722	3.2
459.12820	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04980	1.3
60.98442	1.3
64.82555	1.2
65.19743	1.1
69.03417	2.4
71.04963	1.3
71.58662	2.2
79.05475	1.5
81.03419	2.2
81.07054	1.8
85.02896	3.5
91.05477	3.0
93.06976	1.3
95.04984	1.4
95.08573	1.3
97.02879	2.2
105.06990	1.7
107.04924	2.4
109.02833	3.1
115.05485	2.3
117.07013	2.5
119.04956	2.7
119.08579	1.5
121.02862	2.9
131.04880	1.4
137.06065	1.2
139.03888	3.1
141.01799	2.2
144.05698	3.0
145.06465	5.9
147.04391	5.5
149.02322	1.3
153.01790	3.7
161.78062	1.2
163.03896	4.7
165.01839	18.7
167.03395	6.0
167.06963	1.9
171.04413	3.3
177.01848	2.0
177.44666	1.3
181.05008	1.6
183.02911	10.4
184.19740	1.3
187.03903	2.6
189.05614	1.5
191.03275	1.6
195.02921	3.7
209.01318	1.2
217.91721	1.2
232.07109	6.6
233.04344	2.6
247.07610	2.3
255.06589	1.7
257.04367	1.4
261.03873	1.7
263.06931	1.4
292.07263	1.9
293.07956	6.5
295.06113	3.1
297.07428	6.2
307.06497	1.4
307.09515	7.2
309.07550	100.0
310.07840	3.1
321.07617	8.3
323.09109	3.5
333.07544	1.9
334.08231	1.7
335.05530	1.6
335.09137	22.4
339.08615	68.0
340.09174	2.3
347.09061	2.2
349.10733	19.6
359.09125	3.8
363.08615	34.9
375.08676	12.2
377.10257	3.1
387.08484	7.8
393.09598	15.6
405.09695	17.2
423.10724	19.3
441.11591	8.3
459.16595	10.0
459.24469	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	459.0921
Annotation	Epigallocatechin Gallate
Peak:m/z	Relative Intensity
51.35128	0.4
52.14989	0.4
52.55757	0.4
53.00311	0.8
54.26066	0.4
55.01866	0.8
60.04509	0.5
65.03931	1.3
67.05529	0.6
68.99781	0.8
69.03429	0.5
69.07066	0.6
70.06579	2.9
71.06947	0.5
71.48434	0.7
72.08162	0.5
73.86802	0.4
79.01849	1.6
81.03381	0.4
83.04977	0.6
84.04506	0.5
85.02900	0.6
86.09694	1.7
87.09385	0.4
91.05469	0.6
93.03385	0.7
95.04960	0.9
97.02879	0.6
97.06477	0.5
107.04957	0.8
111.04424	2.3
118.71755	0.4
120.08052	0.7
121.02860	1.0
121.06515	0.4
123.04458	3.5
125.02390	0.9
127.03927	1.0
133.02875	0.9
135.04448	1.0
137.06015	0.6
139.03903	100.0
140.04234	1.2
143.03400	2.8
147.04381	0.7
149.05988	0.6
151.03914	7.9
153.01840	22.1
153.02908	0.9
154.02161	0.5
161.05984	0.6
163.03917	4.7
167.07072	0.6
177.05467	1.0
181.04961	3.0
187.03929	0.6
200.72121	0.4
201.05568	0.7
205.04958	2.8
220.86194	0.4
229.05048	0.6
247.05994	0.5
271.05991	0.6
289.07062	3.6
307.08151	1.7
342.87119	0.6
459.18036	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	2.5
55.20875	1.3
69.03416	2.6
69.07075	1.2
69.95988	6.4
81.03433	1.5
81.07046	2.3
84.29720	1.1
85.02897	2.5
86.09711	1.7
91.05473	6.1
92.74422	1.1
93.07043	1.0
95.04919	1.2
97.02885	1.7
105.03333	1.2
105.07021	2.3
113.93784	1.2
115.05463	1.7
119.04958	3.4
119.08597	1.5
121.06522	1.8
123.04395	1.8
127.03944	1.7
131.04965	2.0
134.03658	1.5
136.06259	1.6
137.05988	11.1
139.03935	1.8
145.06471	2.4
147.04419	2.8
149.06001	3.3
150.06770	3.2
151.03889	1.7
153.01855	2.8
158.03644	3.2
165.07027	2.3
172.32495	1.2
173.05997	6.2
174.06808	1.4
175.03955	3.0
175.07547	3.1
176.06291	2.3
177.05609	1.8
177.06955	6.6
186.03090	9.9
191.08582	2.1
193.06413	1.6
194.07288	8.0
195.08055	1.3
197.05916	1.4
201.05443	22.7
204.05731	2.4
205.06476	21.0
206.07341	1.5
208.05109	1.4
211.07617	1.9
219.08092	3.0
221.05971	9.0
222.06779	16.0
223.07623	1.5
227.07135	2.8
229.08745	1.3
233.05946	22.5
234.06807	4.5
235.07547	1.4
237.09085	15.5
239.07109	2.3
246.07523	1.5
247.07706	2.6
248.08403	1.5
249.05441	7.5
250.06226	19.9
251.07098	4.8
261.05353	5.6
262.06384	1.1
263.07059	2.1
264.07837	6.8
265.08582	35.7
266.09418	3.0
267.06638	5.1
271.20871	1.4
277.05069	3.8
278.05777	11.2
278.14008	4.5
278.18304	1.3
279.06818	2.3
279.10226	4.5
281.08273	1.4
282.08923	5.4
292.07303	21.0
293.08041	32.9
295.06104	2.4
296.15009	4.9
297.11337	4.8
307.09619	48.1
309.24600	1.4
310.08344	3.7
316.13852	2.5
317.13977	3.8
325.10693	100.0
326.03656	1.3
334.15353	2.8
398.21396	1.5
457.24442	3.3
458.07584	3.1
458.24478	42.6
460.36838	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65030	1.7
50.67901	1.6
53.03925	2.1
55.05508	8.1
67.05503	21.8
69.07066	17.6
69.66943	5.0
69.67358	9.7
71.04973	2.0
79.05497	14.1
81.07058	47.5
83.04977	2.6
83.08609	5.6
87.22263	1.8
88.60763	1.9
91.05467	11.6
93.07043	35.0
95.04977	3.6
95.08604	100.0
96.08958	2.0
97.06538	2.5
97.10168	4.6
98.20831	2.5
105.07022	23.8
107.08588	43.1
109.10153	44.5
111.08075	17.1
117.07023	3.2
119.08578	28.0
121.10139	33.1
123.11717	16.5
125.09622	3.5
131.08580	9.8
132.95834	18.1
133.10129	27.3
135.08112	2.6
135.11681	30.9
135.12601	3.2
137.09634	2.4
137.13287	7.5
139.11192	11.0
141.09181	2.3
143.08571	2.7
144.95837	2.9
145.10121	15.9
147.11694	17.3
149.09689	2.4
149.13263	18.3
150.96866	12.0
151.11183	4.1
153.01833	4.1
153.12740	2.9
157.10138	4.8
159.11693	16.0
161.13240	20.6
162.96904	3.7
163.11166	3.2
163.14806	12.8
165.12784	3.3
169.10124	1.9
171.11678	5.6
173.13245	13.2
174.96881	24.7
175.14821	11.6
177.16400	7.3
183.11681	2.0
185.13232	5.3
187.14880	8.8
189.16414	10.8
191.17967	8.2
192.97914	5.3
193.15930	5.1
195.17438	9.6
199.14864	3.6
200.94781	3.7
201.16364	12.0
203.17964	7.4
205.15854	4.5
207.17439	4.8
213.16400	4.3
215.17964	12.0
216.97984	2.3
217.19576	3.4
218.95984	5.0
219.17491	8.1
225.16298	3.0
227.17926	5.5
229.19489	3.9
230.95888	2.0
231.17476	5.5
233.18977	4.7
242.95880	2.4
243.17488	3.7
243.21071	2.7
245.19038	8.4
260.97006	7.5
263.20102	6.7
273.22275	4.1
285.22067	3.4
289.21558	3.1
291.22983	2.6
299.23718	3.3
303.23294	4.5
409.34628	2.9
411.36346	4.2
421.34674	13.2
439.35712	15.9
457.36829	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	457.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45788	1.9
55.01869	4.3
56.05029	12.4
58.06586	7.7
69.03435	3.7
70.06583	2.4
71.24821	4.4
71.25169	3.8
74.06069	3.4
82.06582	11.6
85.02898	4.3
87.09190	3.6
96.08128	9.1
97.06535	2.8
98.06025	2.7
100.07627	9.8
102.05540	13.4
107.04920	2.3
110.06033	59.8
113.07111	6.2
115.08687	100.0
124.07584	18.2
126.69749	2.0
128.07066	6.5
128.98615	2.0
133.09718	60.0
134.11862	2.3
134.99632	2.5
138.05496	90.1
142.08635	2.9
144.06602	4.9
152.07040	26.2
153.01831	7.6
156.06538	2.9
159.07622	5.3
163.03957	4.6
169.09703	9.7
170.08124	35.3
175.59505	2.5
179.03481	2.8
187.10793	2.8
190.05534	2.2
239.10205	2.7
248.14168	3.0
252.13354	3.9
253.11731	3.7
266.14944	16.2
270.14511	11.4
271.12952	6.0
284.16071	6.7
288.15536	41.1
295.07935	4.3
296.14899	3.1
302.17114	55.9
302.20471	3.5
384.61151	2.4
415.64206	2.3
421.20892	3.9
439.22101	26.0
457.16675	5.2
457.22913	95.1
458.12610	11.5
458.19272	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.0
55.05503	3.6
57.03439	3.3
61.02916	2.8
67.05499	8.2
69.03430	15.4
69.07047	5.5
71.58252	4.0
79.01878	2.5
79.05489	9.4
81.03403	9.2
81.07065	14.5
83.04980	4.8
84.08146	4.7
85.02912	14.5
85.06536	2.7
86.09687	6.6
87.00811	6.0
91.05481	9.5
93.07036	10.0
95.04945	5.6
95.08589	4.7
97.02879	6.8
99.04451	4.8
105.01897	5.7
105.07009	11.8
107.04935	5.7
107.08604	24.0
109.02866	5.7
109.06506	8.2
109.10165	6.9
111.00811	2.2
116.43518	2.0
117.07078	2.3
119.08565	4.3
121.10149	15.6
122.07331	5.1
123.04420	2.5
123.08076	4.2
123.11680	3.6
127.03899	17.7
131.08527	5.3
133.02805	2.8
133.10127	100.0
135.08032	9.9
135.11678	2.9
137.05966	3.7
137.09608	52.0
139.03908	4.1
139.11147	2.3
143.03389	4.4
145.10162	2.6
147.11707	6.3
149.05994	3.6
149.09636	5.2
149.13234	12.9
151.03905	3.3
151.07523	2.7
151.11189	21.6
153.01831	51.0
153.02991	4.3
159.02910	4.8
159.11670	2.9
163.14775	3.1
165.09143	4.8
165.12755	21.9
173.13280	4.4
179.03391	9.1
191.14311	38.8
209.15369	59.9
287.05515	9.7
303.05011	3.7
305.06439	4.0
325.10770	2.9
331.04391	3.0
457.17847	2.8
457.24042	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	457.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	11.3
62.86807	4.5
65.03947	4.4
67.05507	10.5
67.32924	4.8
69.03413	17.0
69.07055	9.6
70.06590	8.2
71.05005	5.4
71.58204	5.6
71.58630	5.8
79.01865	4.8
79.05500	9.8
80.13747	4.9
81.03424	5.9
81.07049	20.4
83.05013	6.9
84.08160	11.8
85.02908	13.2
86.09717	4.4
91.05480	10.5
93.07031	6.6
95.08631	7.2
97.02892	7.9
100.11272	15.5
105.07034	10.4
106.15137	4.4
107.04950	8.3
107.08624	24.2
109.10166	16.8
119.04935	5.3
119.08604	9.3
121.06538	7.1
121.10149	14.9
123.04443	8.0
127.03925	19.3
133.10130	100.0
133.11084	7.8
137.09630	49.9
139.03893	13.2
143.03432	9.0
145.10094	6.3
149.13278	11.6
153.01839	84.2
156.09117	4.5
165.09105	29.8
179.03412	15.1
182.15424	6.5
191.14325	56.0
203.03680	5.1
210.14937	11.8
287.05530	22.6
291.06064	4.3
305.06598	6.5
331.04584	8.3
365.21463	6.2
383.14670	7.0
457.14258	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	457.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	11.3
62.86807	4.5
65.03947	4.4
67.05507	10.5
67.32924	4.8
69.03413	17.0
69.07055	9.6
70.06590	8.2
71.05005	5.4
71.58204	5.6
71.58630	5.8
79.01865	4.8
79.05500	9.8
80.13747	4.9
81.03424	5.9
81.07049	20.4
83.05013	6.9
84.08160	11.8
85.02908	13.2
86.09717	4.4
91.05480	10.5
93.07031	6.6
95.08631	7.2
97.02892	7.9
100.11272	15.5
105.07034	10.4
106.15137	4.4
107.04950	8.3
107.08624	24.2
109.10166	16.8
119.04935	5.3
119.08604	9.3
121.06538	7.1
121.10149	14.9
123.04443	8.0
127.03925	19.3
133.10130	100.0
133.11084	7.8
137.09630	49.9
139.03893	13.2
143.03432	9.0
145.10094	6.3
149.13278	11.6
153.01839	84.2
156.09117	4.5
165.09105	29.8
179.03412	15.1
182.15424	6.5
191.14325	56.0
203.03680	5.1
210.14937	11.8
287.05530	22.6
291.06064	4.3
305.06598	6.5
331.04584	8.3
365.21463	6.2
383.14670	7.0
457.14258	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	457.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01875	1.1
55.05520	0.7
56.61097	0.5
60.04500	0.6
67.05493	1.1
69.03420	3.2
69.07052	1.0
70.06602	2.9
71.16940	1.0
71.17253	0.6
72.08155	1.6
79.01855	0.5
79.05493	5.3
81.03403	2.3
81.07049	4.0
84.08143	0.7
85.02879	3.7
86.09704	3.4
87.00842	0.8
91.05480	3.2
93.07036	6.2
95.04955	1.6
95.08624	1.1
97.02873	1.4
103.05442	1.3
103.43084	0.5
105.01844	0.9
105.07027	12.2
107.04946	5.1
107.08596	1.0
109.02879	2.0
109.06500	4.0
110.22587	0.5
118.95683	0.5
119.08571	3.1
120.08140	0.9
121.06514	3.3
121.10146	16.9
123.08076	3.1
123.11682	2.2
125.02360	0.7
127.03928	2.4
127.07597	0.6
131.08565	1.2
133.06583	0.8
133.07559	1.2
135.08096	0.6
136.07507	0.6
139.48364	0.4
143.03384	1.9
149.09615	100.0
150.09975	1.4
151.11189	4.9
153.00595	1.1
153.01823	19.7
154.02174	0.7
159.02855	0.6
162.07556	0.8
167.10664	1.1
173.13214	0.6
191.14308	13.6
209.08142	0.9
209.15312	2.4
229.15479	0.9
243.13396	0.9
380.92615	0.6
395.22623	0.5
413.12943	1.3
413.17883	2.0
437.11081	0.6
457.11575	0.7
457.16721	4.9
457.23050	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.1
56.96550	17.4
65.12405	2.7
67.05495	7.0
69.03429	9.3
69.07072	3.8
70.90519	5.2
70.90887	4.9
71.05000	3.2
79.01849	5.4
79.05486	6.2
81.03410	6.4
81.07047	6.3
83.04987	7.8
83.08606	3.0
85.02904	7.0
87.00851	3.0
91.05482	3.4
93.07051	7.6
95.08597	16.3
97.02865	3.6
97.06549	2.7
98.97600	13.5
99.08082	5.7
105.07020	6.1
105.55677	2.6
107.08567	19.8
109.06493	5.8
109.10161	12.1
110.97575	8.7
111.08029	2.7
116.98613	12.5
119.08540	4.5
121.10145	21.2
123.08064	2.3
125.09622	6.1
126.64207	2.4
127.03899	4.5
128.98616	8.5
133.01765	4.6
133.10161	10.9
133.51988	2.2
134.99687	8.7
135.08060	9.7
135.11684	3.8
137.09654	8.2
139.11104	2.9
146.99675	9.4
147.11676	6.9
149.09598	6.2
149.13257	13.5
151.11168	54.1
153.01813	35.5
154.02170	11.9
155.02336	11.3
159.03174	2.9
163.14818	11.9
165.12784	4.3
173.13280	9.9
187.06377	3.7
191.14293	55.2
199.06511	3.3
209.15364	39.8
219.01749	9.1
227.09502	6.0
237.02831	30.5
245.10738	15.7
269.10550	12.8
282.75882	3.5
287.11777	3.7
299.11636	4.4
303.04999	9.8
304.05301	13.6
305.05493	20.9
311.11432	3.7
370.28586	2.9
371.13821	21.9
389.14764	72.7
390.15030	7.9
412.16129	4.2
413.15182	15.5
431.15881	9.6
457.06796	8.9
457.14682	100.0
458.15009	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	457.168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08165	1.2
55.05495	1.3
69.07056	1.5
70.06591	12.3
71.57671	1.5
71.58050	1.3
72.08138	4.6
79.01834	2.7
79.05498	1.4
81.03382	1.4
84.04489	1.6
84.08125	2.2
85.02901	1.6
86.09702	7.2
88.44184	1.1
89.97338	1.0
90.99797	1.1
91.05457	1.6
93.07080	1.4
95.08597	1.4
97.02873	1.4
107.03689	1.2
107.04899	1.6
107.08612	1.2
116.07135	1.6
120.08085	7.9
123.38535	1.1
127.03923	3.5
133.02850	2.0
133.06493	1.5
136.07581	3.3
137.05936	1.5
139.03888	1.8
143.03406	5.1
147.04436	2.1
149.09581	2.7
151.03889	2.4
153.01825	58.3
154.02177	1.6
177.02223	1.2
179.03349	3.1
191.14297	1.4
199.03957	1.9
209.11488	4.5
229.15472	1.7
243.04732	1.5
245.06577	1.7
268.97272	1.4
277.66516	1.2
287.03586	4.6
287.06085	2.5
289.05206	4.4
298.53351	1.2
303.04968	3.1
305.02957	1.5
305.06494	1.6
314.61539	1.2
331.04507	2.0
371.16800	7.9
413.17770	32.3
413.23096	2.4
439.20074	1.4
457.16776	100.0
458.17056	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	457.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	1.2
57.03414	1.3
58.72073	0.3
58.97853	0.3
61.02896	0.9
65.03915	1.0
67.05489	0.5
68.99774	1.0
69.03402	0.7
70.06571	1.2
72.04509	0.5
73.02888	0.5
74.00621	0.4
76.03990	1.0
79.01855	0.7
79.05476	0.9
80.04998	0.7
81.03371	1.2
81.07021	0.4
83.01337	0.6
83.04980	0.4
84.04035	0.5
84.04501	5.8
85.02904	3.6
85.04051	2.0
85.22761	0.4
86.09675	0.8
91.05485	2.6
92.01691	0.7
93.03411	2.1
93.05721	0.5
94.06535	0.7
95.04960	1.0
95.08582	0.4
97.01115	0.7
97.02872	0.8
99.02677	0.6
99.05567	0.6
99.55236	0.3
100.64638	0.3
103.03914	0.4
103.05458	0.4
105.03402	0.4
105.07014	0.9
106.05849	0.6
106.06551	9.0
107.01306	0.4
107.04924	1.0
109.02839	1.5
109.06480	0.4
109.07687	0.5
111.00775	0.8
111.02625	0.7
111.04414	1.5
112.02190	0.5
113.03442	0.7
117.06982	0.5
119.04939	4.0
119.07333	1.9
120.01958	0.4
120.07550	0.7
121.02866	17.7
121.06570	0.4
121.10090	0.4
122.03136	0.5
122.98798	0.4
123.02629	0.3
123.04451	0.6
124.02192	1.9
124.07558	0.6
125.02982	4.3
127.03893	1.5
130.05005	3.7
130.06483	0.6
131.04565	1.3
131.07307	9.8
132.08069	1.7
133.02869	1.2
134.06015	2.0
135.02612	2.0
135.04355	0.9
137.02322	0.4
137.04172	0.8
137.05908	0.4
138.03697	1.7
139.04591	2.9
140.04553	0.3
140.05307	3.4
140.06993	0.4
143.03372	0.8
143.04945	0.5
145.02823	1.7
145.06181	0.4
147.04407	1.0
148.07558	1.0
149.02885	1.5
149.08363	6.4
150.03754	0.6
150.09146	6.9
151.03909	1.0
152.10696	1.3
153.01830	10.4
159.04369	0.6
160.00650	0.5
161.02344	0.6
161.05957	0.5
163.03899	1.7
164.05286	7.8
165.01924	0.5
165.05995	0.7
165.93182	0.4
168.04202	0.7
175.03960	1.1
176.01018	0.6
177.01830	1.2
177.03288	4.9
177.05481	0.8
179.03381	3.2
181.06236	0.5
182.06345	100.0
183.04343	0.5
183.06638	1.4
184.07904	0.9
185.03793	1.9
185.06003	0.5
187.03899	1.6
189.01807	2.7
189.05396	0.4
190.02521	1.0
191.03394	2.7
193.05540	0.4
194.02080	0.8
195.02901	4.2
197.04413	0.9
197.06009	0.5
200.04483	0.5
201.01993	0.4
201.05440	1.7
203.03378	1.7
204.04218	0.7
205.04953	1.4
207.02861	4.7
208.03694	1.0
208.07910	7.8
208.09871	0.6
209.04550	0.6
211.03923	0.5
213.05396	0.9
215.03484	0.6
219.02869	1.4
219.06444	0.6
221.04327	0.5
225.03934	1.6
225.10521	4.7
229.04932	2.1
231.04375	5.6
233.04445	2.2
234.99028	0.8
235.08980	2.0
236.07387	10.1
239.07025	0.9
245.04488	0.6
247.06012	0.7
251.07008	1.2
252.07784	0.5
253.10106	5.3
255.12111	0.4
257.04471	1.8
261.03912	0.5
263.07010	0.6
267.06552	2.9
268.07214	4.4
269.07895	1.0
270.13165	0.8
273.22589	0.4
279.06470	3.5
280.07248	1.6
281.08139	1.3
283.05991	1.6
284.06735	1.3
285.03967	1.4
287.05490	2.4
288.06339	0.7
291.06546	0.6
291.11703	1.9
292.07315	0.5
293.08023	3.0
294.05316	5.7
294.08670	1.0
295.06009	17.5
295.09348	0.9
296.06638	4.8
297.07504	5.8
303.05032	1.6
304.07391	0.4
305.08423	0.7
307.05997	17.9
308.06738	11.0
309.07477	3.1
313.07065	2.9
315.13480	1.5
316.13651	2.7
318.08887	0.8
319.05948	2.1
319.09668	1.0
320.06796	1.3
321.07556	5.4
322.04752	0.4
322.08344	8.7
323.05493	1.8
323.09076	3.7
325.03787	3.1
325.07043	73.8
326.07327	5.2
328.13245	8.2
331.04535	1.3
333.07663	1.6
334.08167	0.4
335.05496	0.5
335.09250	0.7
336.06268	1.1
336.09814	0.8
337.07037	27.7
338.07434	2.3
339.08710	1.3
345.07813	0.7
347.09186	2.8
348.09726	0.4
349.06839	2.0
350.07584	0.7
351.04987	1.0
351.08630	17.3
352.08969	1.0
353.06317	0.6
355.08090	0.4
357.07590	1.0
361.07080	1.2
363.08667	1.0
364.13284	0.5
365.05865	0.7
365.10184	9.0
366.10754	0.6
367.08090	2.6
374.07874	0.8
375.08569	4.0
377.06488	1.1
379.08099	41.4
380.08524	2.7
382.14325	1.8
385.07010	0.7
391.08115	8.7
392.08636	0.9
393.09735	2.5
401.09988	0.6
403.08096	13.8
404.08414	1.4
409.09164	8.9
410.09482	0.9
421.09116	13.5
422.09531	0.9
429.22501	0.8
439.10254	16.5
440.10599	1.2
457.11322	24.3
458.11832	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	2.5
68.19363	1.4
69.07062	4.4
70.06598	4.4
71.58420	1.4
71.58773	1.6
72.08147	2.3
84.08135	1.9
85.02889	1.5
86.09712	21.1
91.05476	3.4
95.04992	1.6
100.07608	1.5
106.06535	1.7
107.04960	5.1
110.07178	9.7
110.09722	1.3
118.06545	7.0
119.04951	4.8
119.07326	68.2
120.08104	4.3
121.06543	1.5
122.06026	2.6
126.54045	1.0
130.06477	2.1
131.04959	1.2
134.06021	16.6
135.04433	1.4
135.06808	8.1
136.07603	1.5
137.05983	1.9
145.06650	1.4
145.12248	3.1
147.04404	8.3
148.07579	1.3
150.05515	3.5
153.01814	2.2
156.07684	9.8
167.07094	1.5
176.07106	5.6
202.74014	1.1
210.06853	2.4
235.07574	1.7
237.09164	2.7
240.10144	2.2
241.08675	2.3
250.89032	1.3
251.07063	1.7
252.10178	13.5
254.11743	19.2
256.09717	4.9
269.12830	36.2
280.09766	3.5
298.10629	6.1
315.13376	100.0
316.13748	2.9
322.18127	1.6
338.17557	2.3
356.49219	1.3
383.19705	4.3
388.21500	1.3
393.17880	3.0
394.22256	3.9
411.18948	2.1
428.21838	26.0
429.22159	1.6
438.24832	2.2
439.18735	5.2
456.21121	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	456.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.4
55.65919	3.4
55.74736	3.5
57.03416	10.7
57.07075	97.8
62.48478	4.1
67.05473	4.8
69.03426	29.4
70.06586	23.7
70.50169	12.5
72.08160	4.6
73.02899	6.6
79.05500	7.8
80.69599	3.5
81.03428	7.6
81.07046	5.6
82.06550	6.6
85.02883	26.5
85.06532	53.2
86.09685	15.0
87.04467	17.2
89.90758	3.9
90.78139	3.7
91.05449	8.6
93.07032	5.7
94.06560	6.8
95.08582	4.1
97.02892	26.2
99.60122	4.4
103.05446	4.2
105.06976	7.1
107.08577	7.9
109.06573	5.1
110.07162	8.0
115.03927	23.9
121.06447	5.1
123.04413	5.6
124.07578	11.7
127.03941	7.9
131.04926	5.8
133.04967	21.1
133.10138	5.1
136.07565	10.2
137.05957	28.3
137.07855	5.0
139.03860	6.4
140.07082	4.3
143.03410	3.6
145.12239	100.0
147.04388	4.3
148.07590	4.6
153.01846	37.4
154.08627	10.7
156.07658	5.0
163.07504	10.3
164.07054	11.8
165.07413	7.2
191.14369	11.0
199.02406	5.5
205.08540	8.1
214.08531	4.0
237.02811	5.7
276.88361	4.3
287.05484	7.0
287.13757	4.9
297.11554	5.7
303.04837	9.7
315.13324	15.1
346.80902	4.0
377.01852	9.2
456.21756	4.5
457.11069	5.4
457.16925	10.4
457.23843	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	457.074
Annotation	Unknow
Peak:m/z	Relative Intensity
62.80100	5.3
70.70399	12.8
70.70735	9.5
91.75736	6.3
96.68122	6.2
101.71085	7.5
143.08461	6.2
160.15198	6.3
161.02899	9.7
195.77982	6.8
344.91385	7.6
413.08539	9.2
457.06906	100.0
457.12552	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	456.213
Annotation	Renieramide
Peak:m/z	Relative Intensity
50.90693	0.8
55.01863	2.9
67.05492	3.6
69.03448	0.8
69.07063	8.7
69.62531	6.6
70.06570	5.0
79.05501	1.8
81.03413	1.2
81.07043	3.2
84.92519	0.9
85.02879	1.5
86.09700	2.2
91.05492	1.8
93.07039	2.5
94.06544	1.1
95.04951	1.1
95.08593	7.7
97.02888	3.9
98.21535	1.2
107.08554	1.1
108.04459	1.0
108.08102	1.8
109.06512	3.8
110.06051	1.4
119.04916	1.3
119.08513	1.1
120.08087	3.0
123.04420	1.3
123.08056	0.9
124.07588	2.1
126.09191	1.1
127.03913	1.9
127.08667	1.2
127.23875	0.9
133.02803	1.9
134.06001	1.4
136.07574	2.3
137.05954	1.2
138.09129	1.2
139.03813	1.2
140.07065	11.2
143.03419	0.9
147.04405	1.5
147.07880	1.0
148.07564	4.6
151.03891	0.8
152.07089	2.1
153.01859	7.9
154.08554	2.1
158.09631	1.4
161.07112	1.0
162.09198	1.1
163.07579	1.0
164.10735	8.7
168.06599	3.5
170.09650	1.2
177.05537	1.0
178.08649	1.7
179.03413	2.1
187.08716	1.5
189.09006	1.1
192.10179	11.8
193.04990	2.1
198.09113	1.4
199.08676	3.8
199.12325	0.9
201.10278	3.0
205.09770	1.6
210.09122	1.0
213.10347	4.1
214.12366	1.8
215.08311	0.8
215.11835	2.7
217.13194	0.9
224.10767	1.2
225.10265	2.6
227.08177	2.5
227.11768	5.9
229.09776	2.1
229.13435	1.5
240.09094	1.0
241.09756	3.8
241.13307	2.0
242.10350	1.5
243.11336	2.9
247.14459	1.3
252.10027	1.3
255.11249	15.9
256.11826	1.1
257.12769	1.4
259.14334	2.2
265.09198	1.4
265.11853	21.7
269.12766	4.7
271.14459	1.1
275.13928	2.2
283.10855	1.7
286.17834	1.4
287.05481	1.7
287.13873	17.8
289.11926	2.4
289.15408	3.5
297.12302	6.4
299.13812	1.9
301.11847	5.5
301.99820	1.0
302.12378	1.6
303.04749	1.3
303.13297	5.6
305.06335	2.1
311.13864	1.0
315.13364	60.4
316.13843	3.6
317.11591	1.4
317.14877	5.3
333.14157	1.0
365.18802	0.9
383.15723	1.7
393.17932	1.3
411.19128	3.3
428.21664	3.6
438.20120	9.3
456.21307	100.0
457.16159	0.9
457.21902	6.0
484.27844	1.0
484.63058	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32630	1.4
55.01862	2.6
57.03431	2.7
61.02919	4.3
65.23994	1.4
69.03419	8.9
69.07048	6.1
69.90941	4.5
69.91351	4.6
70.06588	2.7
71.97582	1.6
73.02911	3.8
81.03396	4.1
83.08591	1.7
85.02904	57.1
86.09704	18.5
91.03976	2.3
91.05475	3.4
95.01337	16.6
97.02881	16.8
98.20832	2.6
99.00809	1.8
99.04454	3.7
103.03918	1.8
106.06548	1.6
107.04939	3.3
108.02600	1.6
109.02880	3.9
113.02385	2.9
118.06515	8.1
119.04921	4.3
119.07323	76.1
120.08098	4.9
122.05984	2.9
126.09731	1.7
127.03936	15.3
130.06523	6.2
134.06001	17.0
135.04375	1.6
135.06784	11.3
139.03867	3.3
141.01820	40.9
143.03397	1.7
145.04968	29.8
148.07582	2.6
150.05472	2.7
153.01820	22.0
159.02904	8.1
163.03879	2.5
163.06044	13.8
171.04333	1.8
176.07056	2.8
177.03911	2.3
179.03455	3.0
182.06320	2.3
234.09052	2.5
237.09042	3.8
240.10216	2.3
241.08577	2.6
252.10146	11.8
254.11766	19.3
256.09689	6.7
269.12881	32.7
270.11163	2.3
280.09586	2.8
287.05444	6.5
287.14148	1.6
295.05963	2.3
298.10907	8.7
298.13806	1.5
303.05154	1.8
307.06155	3.0
315.13382	100.0
316.13681	3.5
325.06888	5.5
331.04230	2.1
337.06921	4.0
337.19128	4.0
338.17447	2.0
379.08145	2.2
382.21225	3.5
383.19635	6.6
393.18243	2.3
411.19238	3.6
428.21854	27.9
439.18481	6.2
456.21072	3.3
457.11505	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	456.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24622	0.6
55.01870	1.7
67.05493	0.7
69.03415	0.9
69.07072	4.5
70.06580	2.2
70.15546	2.9
76.89237	0.6
79.05488	1.0
82.06562	1.7
84.08127	1.1
85.02902	1.7
86.09216	1.1
86.09705	16.6
91.05471	3.6
93.03454	0.7
94.06570	1.1
95.04983	1.2
96.08101	1.1
97.02978	0.8
98.21413	0.9
100.07628	4.4
104.04984	0.9
105.07027	0.8
106.06561	1.8
107.04944	5.7
108.04497	0.9
111.04356	0.8
112.07596	0.7
118.06549	7.5
119.04984	4.2
119.07321	73.8
120.08172	3.3
121.02857	4.3
122.06013	2.9
123.04418	1.5
125.02953	0.7
127.03907	2.0
130.06538	3.6
131.07291	1.2
132.08070	0.8
134.06017	17.1
135.04422	1.5
135.06801	10.7
136.07646	0.7
140.05318	0.9
140.07063	1.9
143.03381	1.0
146.06000	0.8
146.08134	2.5
148.07585	4.6
150.05461	3.5
153.01825	10.6
164.05235	0.7
168.06581	1.1
175.03949	0.6
176.07077	4.3
179.03394	2.2
182.06352	5.8
188.07191	0.6
189.06920	0.8
207.02867	0.9
207.08075	1.9
209.09618	1.0
223.07515	0.9
225.09108	1.6
235.07509	1.0
236.07390	0.8
237.09071	2.9
239.10724	0.6
240.10202	1.4
241.08594	1.7
245.04561	0.7
251.07008	1.5
252.07748	0.9
252.10170	11.4
254.11763	15.6
256.09625	5.5
269.12845	30.8
270.11246	2.5
272.11252	0.9
280.09683	2.3
287.05496	2.5
287.14032	1.6
290.83212	0.7
294.05243	1.4
295.05981	2.8
296.06839	0.7
297.07462	0.8
298.10709	7.1
303.05069	1.0
307.06021	3.8
308.06747	2.3
309.07318	0.8
315.13373	100.0
316.13724	3.5
321.07693	1.1
322.08362	1.1
322.18005	2.2
323.08939	1.3
325.03537	1.2
325.07034	14.0
337.06995	5.1
337.19141	2.1
338.17645	1.7
351.08633	3.8
365.10141	1.7
367.07950	0.9
379.08151	8.3
382.21213	2.3
383.19681	6.2
391.08066	2.4
393.18069	3.0
403.08130	3.1
409.09033	1.6
411.18948	3.9
421.09106	2.7
428.21832	26.1
429.22293	1.3
439.10162	2.7
439.18674	6.1
456.21613	5.6
457.11389	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	456.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.2
55.01868	2.2
57.03428	4.4
61.02903	4.1
68.99785	1.6
69.03429	9.9
69.07054	6.5
70.06577	3.0
70.96722	2.0
70.97060	3.1
71.04980	2.6
73.02893	4.6
81.03397	4.2
83.01319	2.2
83.08604	1.7
85.02908	65.7
86.09717	18.4
91.03928	2.8
91.05470	3.4
93.85717	1.4
95.01333	14.0
95.04955	1.9
96.08119	2.1
97.02889	17.9
99.00854	1.9
99.04401	2.3
103.03962	2.8
103.05494	1.4
107.04956	2.4
109.02885	5.0
113.02374	2.9
118.06533	10.7
119.04948	5.2
119.07327	85.6
120.08071	4.0
121.02822	2.3
122.06058	2.3
123.04385	2.5
127.03907	24.7
130.06490	3.1
131.03404	1.7
131.53824	1.5
134.06012	19.9
135.04431	2.3
135.06828	11.7
135.89822	1.6
139.03865	1.8
141.01828	49.6
143.03366	3.1
145.04965	37.8
145.11993	1.4
150.05493	4.6
153.01855	20.1
159.02899	7.9
163.06020	19.1
165.97409	1.5
172.89221	1.5
176.07056	5.3
177.03940	3.1
177.05449	2.1
179.03423	3.3
182.06377	3.0
207.07912	1.6
223.07440	1.7
235.07661	1.9
237.09077	2.8
241.08505	2.3
252.10260	13.3
254.11719	23.6
256.09628	7.2
269.12857	35.0
270.11267	3.9
279.92935	1.5
280.09589	2.4
287.05484	4.1
290.95142	1.5
298.10757	7.7
303.04913	1.9
305.06476	1.7
307.06009	1.8
315.13382	100.0
325.07056	5.9
337.07040	2.5
337.19339	1.7
338.02982	1.6
338.17578	2.6
379.08047	3.0
382.21155	3.4
383.19443	5.0
393.18036	2.9
411.18875	4.5
428.21823	29.0
439.09491	1.5
439.18567	6.6
456.21140	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10841	20.8
51.41316	21.6
58.12250	22.6
59.04991	25.8
69.35364	22.7
70.06576	38.9
70.64946	70.4
70.65279	23.8
81.07057	24.4
85.02911	31.1
86.03519	20.0
86.09724	36.9
89.53378	23.1
95.08585	22.8
100.07619	30.4
109.10161	27.7
115.77685	22.5
117.56802	21.2
124.92852	22.2
127.03915	29.4
129.27867	24.9
137.05983	68.5
146.08105	55.5
152.55435	23.2
153.01822	100.0
158.00443	20.0
165.09111	35.8
168.56093	23.0
187.43021	24.6
208.09677	36.5
230.07933	31.0
280.10629	27.1
307.69409	23.3
310.11465	28.5
318.00992	23.6
334.11316	38.7
352.12631	55.2
408.19232	27.3
419.02792	32.3
456.20786	27.4
458.50079	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	455.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	19.4
56.96564	6.5
57.07063	7.7
67.05504	29.1
69.03438	3.5
69.07063	24.3
71.58939	4.6
71.59399	3.5
79.05493	17.4
81.07056	50.3
83.08620	18.9
91.05470	17.4
93.07035	43.9
95.08604	78.8
97.06509	3.9
97.10165	6.6
105.07024	39.5
107.08596	53.5
109.06522	6.8
109.10159	50.1
117.07059	4.6
119.08578	65.9
121.09303	5.7
121.10147	54.2
123.11696	22.5
131.08549	21.7
133.10121	88.9
135.11699	40.6
136.41504	3.3
137.13251	10.0
143.08598	3.1
145.10132	32.5
147.11684	28.7
149.13283	28.2
157.10101	6.3
158.10843	3.7
159.11673	25.1
161.13257	23.9
163.14807	14.1
171.11719	5.0
173.13264	11.8
175.14728	9.6
177.09222	4.4
177.16347	11.3
179.14418	4.7
184.07251	3.8
185.13231	5.9
187.14857	13.8
189.16376	33.7
191.14304	6.1
191.17932	100.0
199.14827	7.9
201.16368	67.6
203.14252	3.4
203.17964	47.0
205.15901	4.0
205.19489	7.8
213.16379	4.2
215.17868	5.9
217.15645	5.2
217.19553	7.6
219.17464	11.4
229.15895	6.0
229.19537	4.3
247.16913	20.4
249.15001	4.2
254.58531	3.2
261.41238	3.4
263.16360	3.7
265.17917	4.5
275.19760	3.1
386.35040	3.5
391.33698	4.4
409.34674	11.1
437.34576	15.4
455.35291	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	455.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77899	2.2
53.03933	3.3
55.05515	14.4
57.07063	7.7
65.37653	2.7
65.65783	2.6
67.05502	29.1
68.08233	2.1
69.07069	29.4
71.04975	2.5
79.05496	28.2
81.07056	53.8
83.08631	16.2
91.05472	21.5
92.73265	2.8
93.07043	45.7
95.04962	5.8
95.08607	78.3
97.10143	4.8
98.20741	8.4
99.08076	18.5
105.03413	3.3
105.07030	50.5
107.08595	69.3
109.06525	14.5
109.10154	41.2
117.07008	5.4
119.08587	76.2
121.10152	55.9
123.08079	6.8
123.11700	15.9
129.07057	2.9
131.08565	36.1
133.10129	54.5
135.04453	13.8
135.11694	38.0
137.13293	7.1
143.08609	6.0
145.10118	51.3
147.11682	48.5
149.13258	21.4
157.10117	13.1
159.11720	33.9
161.13242	24.8
163.14822	22.6
165.05476	51.7
166.05827	3.5
171.11644	4.9
172.12442	2.8
173.13239	25.0
175.03896	5.3
175.14822	21.4
177.16425	11.5
179.14333	11.7
185.13220	7.8
187.14841	44.1
189.16353	29.1
191.17943	100.0
192.18343	4.3
199.14818	8.7
201.16388	94.5
202.16801	3.2
203.03406	4.0
203.14359	3.2
203.17976	34.9
205.19569	4.0
213.16411	3.3
215.17949	8.5
217.16000	5.2
217.19617	14.1
219.17436	15.2
221.04498	13.1
227.17932	3.9
229.05046	3.5
229.19560	9.3
231.02879	5.0
231.21143	6.7
242.86028	2.5
247.16888	7.6
249.04013	13.6
255.20927	4.5
277.03415	40.0
316.26740	2.8
391.33530	10.0
409.34619	54.6
437.34274	12.9
455.09787	9.3
455.35245	44.6
456.35513	5.2
458.18460	2.4
463.82477	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37707	10.0
53.03941	11.2
55.01860	11.0
55.05505	40.2
57.07079	12.2
59.68280	8.4
61.02912	10.1
62.90627	9.6
67.05501	37.4
68.93306	9.9
69.03421	33.3
69.07055	25.8
70.06581	35.0
70.54740	24.2
72.08150	11.2
79.05502	38.8
81.07068	58.1
82.06594	8.9
83.04990	17.7
83.08581	13.3
85.02905	39.7
85.06538	25.1
86.09682	12.9
88.69078	8.7
91.05485	39.8
93.07045	55.4
95.04962	31.9
95.08597	42.0
97.06526	17.1
100.11283	18.9
105.07028	39.5
107.04919	15.3
107.08598	33.3
109.10162	43.9
111.08070	23.4
114.09143	22.8
119.04952	13.6
119.08584	36.4
121.06553	21.3
121.10164	26.2
123.04411	31.9
123.11734	13.8
125.09608	12.3
127.03901	10.6
131.08572	12.4
133.10149	23.2
135.08047	16.2
139.03912	14.9
139.11153	10.5
145.10159	32.5
147.08076	10.5
149.09586	26.4
151.11131	11.4
153.09149	20.3
159.11719	22.9
163.11139	11.6
165.09113	26.3
170.15442	14.9
173.13286	17.0
178.49132	9.7
185.05922	11.4
189.12666	11.8
191.10617	14.0
201.12636	10.7
205.12279	9.9
207.13785	17.3
275.20169	34.3
293.21066	49.4
320.16989	11.2
438.20255	11.2
455.22452	100.0
455.36096	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	455.116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32096	1.6
70.05656	9.1
70.06582	5.3
73.79018	1.6
77.37470	1.7
77.84025	1.6
90.80293	1.6
97.95190	1.5
110.07123	1.7
121.06507	1.7
127.03844	2.2
139.03917	8.1
147.04385	2.2
153.01836	4.2
156.92746	1.7
163.03932	2.3
167.07013	6.0
175.04018	1.9
193.04964	2.5
206.05524	5.9
207.06332	9.5
216.57172	1.9
227.05254	2.4
237.38789	1.9
271.04282	6.5
287.07523	2.5
369.11572	6.5
411.12552	35.1
455.11545	100.0
456.12000	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51480	2.1
54.39872	2.1
56.96553	7.3
69.47805	16.5
69.48208	5.7
76.14769	2.5
82.06525	4.1
83.35015	2.4
85.02917	2.4
86.57435	2.1
86.88693	2.3
89.03893	2.4
98.97578	12.7
100.07595	4.1
101.00876	5.7
115.02424	3.4
116.98590	4.5
119.01917	16.6
124.23976	2.4
125.79395	2.7
128.98587	3.3
131.00140	3.8
131.01913	9.7
133.03470	21.0
135.03159	3.4
143.01852	6.4
145.03470	5.3
147.05040	3.8
153.02272	3.0
153.93860	2.3
155.01898	6.3
155.43758	2.7
157.03464	3.7
159.05017	6.6
161.01140	3.5
161.02969	6.7
161.04984	2.7
163.03940	7.2
171.05020	22.3
173.01556	2.2
173.02925	15.0
173.06581	2.7
175.04520	4.6
177.00714	4.7
177.06096	5.2
183.05009	3.7
185.02945	5.9
187.04524	3.3
189.05901	5.4
191.02289	3.4
195.07181	3.5
196.04503	2.5
197.02948	6.6
201.06052	3.6
203.04030	6.3
203.07646	3.0
206.02829	2.4
207.07024	3.6
215.07581	3.6
219.01707	3.4
219.07108	9.2
219.54637	2.8
221.03081	5.6
221.05037	11.1
221.06915	4.3
223.04788	3.2
223.19638	2.7
225.08208	5.0
229.55537	2.4
231.07150	10.9
237.02788	4.9
245.05090	20.6
247.05179	3.4
249.08173	6.7
255.07158	3.0
261.08112	8.1
263.03915	3.1
269.05435	2.9
273.08185	2.7
291.09161	4.3
305.10635	6.9
321.10254	58.3
322.10349	7.9
323.06409	4.2
323.10049	27.0
328.71960	3.0
339.11240	3.6
351.11374	36.1
413.09766	3.8
455.11584	100.0
456.11908	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	455.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51480	2.1
54.39872	2.1
56.96553	7.3
69.47805	16.5
69.48208	5.7
76.14769	2.5
82.06525	4.1
83.35015	2.4
85.02917	2.4
86.57435	2.1
86.88693	2.3
89.03893	2.4
98.97578	12.7
100.07595	4.1
101.00876	5.7
115.02424	3.4
116.98590	4.5
119.01917	16.6
124.23976	2.4
125.79395	2.7
128.98587	3.3
131.00140	3.8
131.01913	9.7
133.03470	21.0
135.03159	3.4
143.01852	6.4
145.03470	5.3
147.05040	3.8
153.02272	3.0
153.93860	2.3
155.01898	6.3
155.43758	2.7
157.03464	3.7
159.05017	6.6
161.01140	3.5
161.02969	6.7
161.04984	2.7
163.03940	7.2
171.05020	22.3
173.01556	2.2
173.02925	15.0
173.06581	2.7
175.04520	4.6
177.00714	4.7
177.06096	5.2
183.05009	3.7
185.02945	5.9
187.04524	3.3
189.05901	5.4
191.02289	3.4
195.07181	3.5
196.04503	2.5
197.02948	6.6
201.06052	3.6
203.04030	6.3
203.07646	3.0
206.02829	2.4
207.07024	3.6
215.07581	3.6
219.01707	3.4
219.07108	9.2
219.54637	2.8
221.03081	5.6
221.05037	11.1
221.06915	4.3
223.04788	3.2
223.19638	2.7
225.08208	5.0
229.55537	2.4
231.07150	10.9
237.02788	4.9
245.05090	20.6
247.05179	3.4
249.08173	6.7
255.07158	3.0
261.08112	8.1
263.03915	3.1
269.05435	2.9
273.08185	2.7
291.09161	4.3
305.10635	6.9
321.10254	58.3
322.10349	7.9
323.06409	4.2
323.10049	27.0
328.71960	3.0
339.11240	3.6
351.11374	36.1
413.09766	3.8
455.11584	100.0
456.11908	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	455.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01579	0.3
51.02373	0.7
55.01851	0.3
55.05535	0.3
56.62787	0.2
65.03941	0.4
67.01800	0.3
68.99786	1.2
69.03420	0.4
70.98478	0.7
79.01853	6.7
81.03419	0.3
91.05502	0.3
93.03411	0.5
95.04969	0.7
97.02902	1.8
103.61877	0.3
107.01299	1.4
107.04935	0.3
109.02878	0.6
111.00802	1.6
117.06999	0.3
119.05012	0.3
121.02862	1.7
123.04416	0.6
125.02337	4.5
131.04962	0.3
135.04422	0.3
137.02341	4.8
139.03906	0.6
143.03386	10.4
143.04504	0.6
145.68515	0.2
149.02336	0.9
153.01826	100.0
153.02838	4.1
154.02161	1.7
155.04887	0.6
161.05954	0.5
163.03918	0.7
165.01831	2.9
166.02663	0.5
173.05965	1.0
179.03410	0.3
183.02875	1.2
183.04456	0.8
187.03906	0.6
201.05493	3.5
205.04959	0.5
207.02963	0.3
219.06604	0.7
221.04202	0.3
222.79123	0.3
228.04102	0.5
229.04959	9.0
230.05310	0.3
247.05998	1.0
257.04443	4.8
274.04745	1.2
275.05466	1.3
285.03940	4.0
303.04984	91.6
304.05276	3.1
455.06085	24.2
456.06476	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.4
51.02367	0.8
53.03913	0.2
55.01884	0.3
63.45596	0.2
64.00925	0.2
65.03927	0.3
68.99780	1.4
69.03426	0.6
70.71797	0.7
74.20388	0.2
79.01853	8.2
81.03416	0.4
83.75748	0.2
93.03407	0.6
95.04940	0.5
97.02879	1.6
105.03380	0.3
107.01327	1.3
107.05003	0.3
109.02881	0.6
111.00790	1.2
111.04492	0.2
119.08551	0.3
121.02875	1.8
123.00775	0.4
125.02348	4.2
131.04935	0.3
135.04382	0.3
137.02339	5.2
137.05994	0.3
143.03392	9.9
145.02858	0.4
145.06477	0.4
149.02357	0.4
153.01825	100.0
153.02794	3.8
154.02145	1.4
155.04919	0.4
159.04332	0.2
161.05968	0.7
163.03909	0.9
165.01848	2.9
166.02628	0.4
173.05984	0.9
179.03346	0.2
183.02879	0.7
183.04471	0.8
187.03957	0.5
195.02902	0.3
201.05447	2.8
205.04968	0.3
219.06508	0.5
228.04210	0.4
229.04944	8.0
239.03477	0.3
247.05977	0.8
257.04422	4.7
258.04886	0.2
267.68790	0.2
274.04727	1.3
275.05441	1.4
279.88043	0.2
285.03979	3.6
303.04984	82.8
304.05383	3.5
455.06091	24.9
456.06354	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.9
57.03191	0.6
57.03438	8.0
57.07074	27.6
62.06067	0.6
67.05500	5.8
69.07066	5.4
70.99316	1.0
71.08630	18.9
79.05508	0.6
81.07056	7.2
82.53389	0.4
83.08611	6.0
85.10185	9.3
87.29080	0.5
89.06015	2.6
93.07051	0.8
95.08608	10.5
95.09206	0.4
97.10160	2.4
103.07574	0.8
109.10157	4.6
121.10155	0.6
123.11687	1.8
137.13231	0.6
183.57788	0.4
183.68404	0.5
239.23705	2.1
257.24826	1.9
282.27911	2.9
283.93750	0.5
313.27356	100.0
314.27664	3.5
437.60004	0.5
455.21664	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	454.2926
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
57.03440	4.7
57.07076	24.3
58.34549	1.7
62.06087	22.3
67.05501	4.8
69.07071	4.8
70.32925	8.8
71.08633	16.0
74.74897	1.9
81.07047	6.5
83.08617	3.3
85.10193	10.6
89.43472	1.9
95.08619	8.7
97.10151	3.4
98.98457	3.5
109.10143	3.7
118.99281	1.7
123.11744	2.5
124.01566	2.3
135.66798	2.1
155.01096	6.1
282.27850	11.8
289.23389	1.9
313.27368	100.0
314.27982	2.8
393.23996	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	454.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.9
57.07076	34.3
67.05510	3.6
69.07073	2.8
71.08627	25.5
71.58704	3.2
73.06544	3.8
77.25409	1.9
81.07034	4.1
83.08614	4.9
83.75906	1.9
85.10191	19.0
86.55936	2.2
89.06031	100.0
95.08606	3.1
97.10172	4.1
99.11720	4.4
107.07075	7.1
130.08591	4.4
133.08611	42.4
133.09607	2.9
135.10193	2.9
154.95464	2.2
155.17909	3.9
173.45505	2.4
177.11208	12.4
183.70093	2.3
199.20457	2.7
243.23256	8.8
263.97366	2.2
272.16968	2.5
283.17578	9.8
287.25760	2.9
322.91882	2.5
433.42105	2.5
437.34756	11.7
454.34293	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
54.03474	0.6
54.72181	0.4
54.74184	0.5
55.01863	0.6
55.05519	2.4
58.06598	2.4
61.02924	0.5
64.42696	0.4
67.05501	1.4
68.99804	1.0
69.03425	1.7
69.07072	0.7
69.35425	5.0
70.06591	100.0
71.06937	1.1
72.81177	0.5
77.62217	0.5
79.05483	0.7
81.03416	1.0
81.07068	1.4
83.08630	1.6
85.02909	2.9
85.06592	0.5
87.04469	0.6
91.05499	1.7
93.07028	1.1
95.04893	1.0
95.08595	0.7
97.02907	1.5
100.07610	0.9
100.11257	4.6
100.64432	0.5
105.07031	1.3
107.08603	1.1
109.02887	0.8
109.06525	0.5
109.10175	0.6
113.06052	0.9
119.08611	1.0
119.09367	0.5
121.06533	0.9
121.10149	0.8
123.04441	1.7
127.03923	1.0
128.07109	1.1
129.07042	0.9
133.06487	0.7
133.10162	0.9
135.11708	0.5
137.05992	0.6
138.09215	0.5
139.03914	7.7
143.08598	1.1
145.05067	0.4
145.10072	0.7
147.04407	1.0
147.08041	2.2
151.03969	1.4
151.07590	1.3
161.06036	2.0
161.09641	2.3
163.03900	0.6
164.04707	0.6
171.08104	2.3
175.07553	3.5
177.05531	0.5
182.15411	3.1
189.09102	10.5
189.10735	0.7
190.08507	0.6
199.07550	2.2
202.06323	1.0
209.16516	0.9
210.14944	3.7
217.08592	21.6
218.08910	0.7
228.15932	0.5
235.09642	32.6
236.09976	0.6
265.11713	3.5
269.83456	0.6
289.07101	1.7
292.15430	21.0
293.15921	0.6
303.08649	0.6
304.09216	1.3
336.22913	0.7
436.31607	2.9
444.65613	0.5
454.20758	46.1
454.32745	6.8
455.21002	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19870	7.2
55.05508	41.6
55.46192	7.9
57.03445	8.7
67.05504	73.5
69.03423	46.9
69.07059	27.2
71.04992	7.8
71.11179	16.8
73.02977	7.4
79.05490	88.0
81.03403	59.9
81.07049	78.4
83.08624	17.1
83.31578	7.2
85.02901	37.7
91.05485	79.2
93.07039	100.0
95.04955	21.0
95.08606	49.4
97.02892	24.6
99.08108	8.2
105.07023	83.9
107.08589	60.3
109.02836	9.0
109.10154	22.4
111.04431	16.2
117.07015	34.4
119.08591	73.6
121.10132	39.5
127.03949	13.9
129.05437	7.1
129.06989	15.3
131.08580	39.2
133.10126	52.5
135.11674	51.9
139.03854	9.6
143.08556	21.1
145.10103	56.2
147.08026	10.7
147.11688	55.3
149.13269	24.6
155.08546	12.5
157.10127	22.0
159.11702	41.4
161.13249	26.3
169.10146	13.4
171.11700	30.1
173.09749	7.6
173.13251	26.9
175.14767	14.1
183.11682	9.3
184.07314	24.7
185.13290	16.6
187.14825	8.8
199.14815	9.9
213.16496	9.7
224.44081	7.0
241.19527	20.9
257.19067	10.1
259.20615	62.2
261.22092	8.9
275.20050	16.0
291.19577	23.1
301.21628	16.4
313.21689	10.5
367.22476	23.5
385.23740	34.8
403.24847	44.1
421.25842	38.3
441.36237	8.5
453.34100	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	453.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	17.2
62.83736	0.8
67.05502	2.2
70.06579	1.2
70.22608	4.9
75.13640	1.1
75.41084	0.9
79.05459	1.4
81.07055	3.3
82.06586	4.3
83.04987	1.5
83.08615	13.1
84.08126	2.0
85.06509	1.0
87.87805	1.1
91.05456	1.2
93.07028	2.7
95.04935	1.4
95.08592	1.8
98.09704	1.3
100.07622	5.3
100.11252	84.5
101.11606	1.0
107.04880	1.2
107.08529	1.3
109.10175	1.9
110.06022	2.5
111.04431	10.0
112.07586	2.7
112.11263	1.6
113.06004	1.0
117.13911	2.1
119.08524	1.5
120.68865	1.0
123.04286	1.0
126.09114	2.4
127.08722	2.8
128.07068	5.1
129.05544	1.2
131.08568	1.1
139.08652	4.0
140.07095	2.3
145.10147	1.3
182.15408	25.6
184.07303	1.2
209.16473	25.2
210.14874	24.2
226.19125	9.4
227.17595	2.4
228.15819	1.8
276.72900	2.2
291.19540	1.8
318.72119	1.1
326.28067	2.7
335.24426	1.2
336.22910	5.7
343.30664	1.4
417.32111	1.3
435.33249	28.7
436.33734	2.1
453.34351	100.0
454.34500	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	8.5
55.05508	12.6
57.03435	7.7
57.07077	25.1
59.65825	4.5
67.05513	26.4
69.03442	4.7
69.07074	6.9
69.27908	45.2
69.28318	9.5
77.76202	5.2
79.05490	25.1
81.03415	9.0
81.07059	58.0
83.04986	5.7
83.08584	4.9
85.02913	18.2
85.06535	9.4
91.05518	11.7
93.07039	13.7
95.04973	16.4
95.08617	13.5
97.02930	5.4
105.07032	19.7
107.04941	7.2
107.08582	8.6
109.10140	7.9
117.13660	5.5
119.08588	7.7
121.10155	7.1
123.08105	6.6
126.20270	4.9
129.07063	6.2
131.08569	7.1
133.10161	10.9
135.08000	11.8
149.05989	6.1
155.08476	6.3
163.03854	7.2
171.08012	6.7
187.07619	9.3
189.05450	7.1
189.09157	8.5
201.09106	8.9
203.07124	5.3
205.08597	16.9
211.07529	5.9
211.13245	6.7
213.09134	12.3
214.47365	5.2
215.07082	9.5
217.08618	43.7
227.07030	8.2
227.10695	14.5
229.08589	28.6
239.10620	6.1
241.08536	6.5
243.10083	11.0
247.09612	34.2
255.10216	12.8
265.10886	9.0
269.12128	7.1
271.09671	12.1
273.11374	6.3
273.14676	7.6
279.06528	5.2
283.09753	7.9
283.13269	10.6
285.11850	6.1
285.14667	26.5
289.10901	11.6
291.15945	30.7
295.09613	10.7
297.14804	9.0
301.14362	17.5
303.15872	86.3
313.10654	9.2
315.12531	10.8
315.15915	84.9
333.16959	74.7
334.17484	6.0
339.15912	16.4
349.12897	5.2
351.15921	12.4
357.16910	100.0
358.16837	7.6
363.16132	9.3
369.17007	77.9
381.17032	42.6
399.18161	39.4
417.19025	45.9
435.20062	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	452.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37685	3.6
55.05510	19.0
57.03433	8.7
57.07069	8.5
62.06087	35.9
69.07077	22.5
70.34312	18.2
71.08618	8.7
72.55904	4.0
79.05503	4.0
80.10747	3.7
81.07064	9.0
83.08614	19.9
89.06042	4.5
89.95885	3.9
95.08649	4.4
97.10183	13.1
98.98477	12.1
128.36342	3.7
155.01003	12.7
172.95224	4.9
173.01939	4.7
183.04823	4.2
233.46031	4.7
237.22137	7.0
260.68683	4.1
311.25815	100.0
329.28796	4.3
335.21448	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1179
Annotation	Epigallocatechin 3-O-p-coumarate
Peak:m/z	Relative Intensity
55.01867	1.2
55.05511	1.6
56.96534	0.6
65.03938	1.8
67.05495	1.8
68.99781	1.4
69.03416	1.2
69.94636	3.4
70.06599	0.8
81.07026	1.5
83.04980	1.1
83.08611	1.1
84.04488	0.6
84.08162	0.9
91.05484	3.6
93.03410	0.7
97.02899	2.0
98.09695	1.3
100.07621	0.8
100.11253	3.9
105.07069	0.7
107.04944	1.0
107.08663	0.6
109.10136	1.0
111.04432	5.0
119.04926	6.4
121.10136	0.7
123.04443	2.0
127.90676	0.5
137.05972	0.8
139.03897	100.0
140.04242	0.9
142.12234	0.9
147.04408	17.8
149.35625	0.7
151.03906	2.3
153.01866	0.8
161.09566	0.7
163.03896	1.6
177.05521	2.0
177.24379	0.6
182.15417	2.1
203.05234	0.6
205.04933	2.4
209.16496	0.8
210.14940	1.5
228.12012	0.6
271.06033	0.6
273.13535	0.7
289.07108	2.5
291.12363	0.6
307.18362	0.5
435.33517	1.0
453.17206	7.1
453.34341	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72215	2.3
55.05505	12.8
57.03429	5.9
57.07061	6.1
57.27232	2.2
62.06084	35.9
67.05506	14.1
69.07071	21.5
69.50407	2.1
70.04517	10.3
71.08634	3.0
74.25560	2.2
79.05486	8.4
81.07051	19.9
83.08609	20.6
91.05455	2.3
91.74713	2.2
93.07048	12.3
95.08598	15.0
96.79803	2.4
97.10166	6.5
98.98470	9.6
107.08614	4.1
109.10165	5.8
111.08085	6.7
121.10142	11.9
121.14570	2.5
123.11693	3.1
135.11685	8.1
155.01094	6.6
172.95219	3.0
173.02182	3.4
179.65096	2.3
184.07208	3.5
190.96368	2.5
212.74475	2.4
219.21074	3.2
237.22118	9.0
280.26355	13.5
311.25812	100.0
312.26132	6.2
457.57816	2.6
471.18283	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	452.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01466	4.2
53.03924	6.2
55.01864	7.3
55.05503	9.7
56.96560	5.5
67.05486	10.0
69.03416	16.9
69.07066	95.0
70.06573	18.9
71.04975	14.0
71.57772	5.2
72.08143	10.9
79.05490	9.6
81.03408	13.8
81.07050	27.8
84.04487	5.3
85.02904	38.8
86.09698	11.8
87.00821	13.4
91.05489	11.6
93.07031	15.9
95.04997	7.8
97.02884	19.4
97.06526	100.0
97.72180	5.1
99.04458	6.9
105.01880	26.3
105.07011	12.4
107.08562	11.0
109.02878	14.2
109.06499	4.8
109.10149	17.7
111.08131	5.1
117.81834	4.2
119.12482	4.3
120.08101	9.1
121.06494	4.5
123.04416	15.6
123.11668	9.0
127.03922	40.2
133.10124	7.8
134.45869	4.6
135.04352	5.2
139.03877	10.4
145.04930	14.9
147.04391	8.8
151.03978	5.6
151.11188	16.6
153.01805	14.1
159.02907	6.6
161.05989	5.7
163.03914	11.1
169.12282	10.7
231.05011	9.1
265.69727	4.6
283.04691	5.1
303.04962	5.4
347.23520	5.2
364.70493	5.7
452.10110	6.2
453.21091	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3205
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
55.05509	19.6
58.29284	10.5
67.05496	10.4
69.07050	16.8
71.38500	10.3
71.38818	15.4
79.05511	22.9
81.07067	22.6
91.05499	18.3
93.07041	27.0
95.04935	10.4
95.08604	48.3
104.32853	11.3
105.07062	27.5
107.04922	11.2
107.08595	27.8
109.10147	16.1
119.08595	37.6
121.10142	25.2
131.08563	20.3
133.10126	32.8
134.99664	10.4
135.11684	21.3
137.05952	14.0
143.08548	19.6
145.10120	31.1
147.11670	18.5
149.13240	12.4
157.10159	12.3
159.11699	22.3
161.13321	10.1
169.10141	13.5
171.11716	19.3
173.13272	15.0
175.14790	14.6
181.12218	20.8
183.11641	11.3
184.07314	12.1
197.13258	12.7
199.14865	10.3
204.89212	10.1
209.11740	15.0
211.14790	17.8
212.15704	14.0
213.16385	32.4
215.17937	17.2
255.21252	44.3
269.08099	10.6
278.99109	9.0
307.15860	9.1
358.26068	10.6
405.31461	22.2
433.31091	21.1
451.26385	11.0
451.32071	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60027	0.3
61.02892	0.4
63.26796	0.3
65.03925	0.4
67.05494	0.4
69.03408	1.1
69.95931	0.7
69.96336	1.2
79.05485	1.7
80.04987	0.5
81.03411	0.5
81.07050	0.9
82.06569	0.4
85.02916	2.3
91.05470	2.4
92.06264	0.5
93.07034	0.5
94.06569	0.7
95.04950	0.5
96.08115	1.0
97.02870	1.0
103.05456	0.6
104.04971	0.6
106.06545	1.9
108.08073	0.7
116.04980	0.5
117.05779	0.7
118.06535	2.7
119.07307	0.9
120.08101	13.0
122.09671	0.9
124.07586	7.8
126.09143	0.8
127.03843	0.3
134.06013	5.7
135.06749	0.3
136.07571	3.7
138.05484	1.3
138.09160	0.6
146.05989	2.3
147.06783	2.0
148.07558	11.8
150.09114	1.1
152.07074	1.0
156.07639	0.3
159.09079	0.3
164.07060	63.1
165.07666	0.6
166.08672	2.9
174.12753	0.4
200.10732	1.1
202.12193	0.4
214.11035	1.0
215.11737	0.4
215.15392	2.3
216.10263	1.6
226.12236	0.5
228.10191	0.6
229.13361	1.5
232.09656	0.6
243.14938	7.5
245.16504	3.2
253.13365	1.1
254.11786	1.7
271.14407	22.8
272.14752	0.5
273.56815	0.3
289.15457	100.0
290.15796	1.9
305.05530	0.5
451.20346	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1234
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
54.00571	2.6
55.05490	3.0
69.03419	3.3
70.06570	10.4
71.57999	6.3
72.08154	22.3
79.05484	3.9
82.41386	3.1
84.04516	5.2
85.02880	11.3
86.09694	7.7
89.47298	2.7
91.05463	6.4
95.04939	3.9
97.02880	6.5
107.04951	51.8
111.04436	4.5
119.04931	3.0
120.08110	24.0
121.02872	11.4
123.04420	5.6
127.03957	5.2
131.04895	4.6
135.04359	5.8
139.03905	7.2
147.04344	3.7
149.02338	62.4
153.01819	100.0
163.03899	5.5
165.01813	3.3
167.03363	10.0
183.02995	4.8
185.05751	3.3
185.08029	3.9
195.02878	10.8
197.00963	3.2
197.06003	7.2
215.07019	65.4
219.02754	3.8
219.11334	4.0
237.02867	3.2
243.06548	48.8
247.13000	3.0
271.06046	26.9
283.08441	4.3
289.07059	44.7
301.07034	4.7
303.13486	2.8
407.12933	5.6
451.12030	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	451.1219
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
69.03403	3.4
70.06586	7.0
71.02976	7.2
72.08143	14.7
77.62265	2.6
81.03382	3.4
81.07064	2.5
81.89304	2.8
84.08134	2.7
85.02911	9.9
86.09698	10.5
91.05486	5.7
93.07005	3.1
95.04985	2.6
97.02872	3.5
101.28746	2.8
107.04945	19.1
107.08624	5.7
109.02880	3.9
110.07199	4.5
120.08113	29.8
121.02866	6.0
123.04434	11.7
127.03912	2.9
129.10237	4.9
131.04980	6.5
135.04420	5.5
136.30753	2.6
139.03929	3.1
147.04422	6.1
149.02332	7.9
151.35493	2.3
153.01834	12.0
153.09142	3.8
163.03937	7.0
165.01819	5.1
171.10172	4.6
173.02402	3.0
175.03749	3.4
185.05722	70.4
185.08240	3.2
187.07082	2.9
191.03372	3.3
198.44093	2.9
213.05440	3.0
215.03590	3.1
215.07036	5.6
227.05316	4.7
231.44283	3.0
243.06520	10.3
243.63344	3.2
255.06613	5.9
267.06647	4.5
271.04089	8.0
271.06512	5.4
281.08035	3.3
283.06082	8.4
285.07648	7.2
289.07068	6.0
295.05936	3.9
295.13034	4.2
300.40076	2.6
309.07681	3.2
313.07086	8.3
331.08057	5.4
342.08392	2.8
351.08350	3.3
365.12262	7.2
407.13126	47.1
451.12082	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.0
55.05503	8.0
56.96553	20.9
57.03440	4.2
57.73908	4.0
58.46262	4.0
62.36152	4.0
67.05490	16.8
69.03431	7.3
69.07060	11.1
70.14268	18.5
74.67244	3.6
76.03197	4.1
79.05481	14.8
81.03419	5.9
81.07050	24.4
84.96039	7.4
85.02912	9.9
86.59019	4.1
89.79975	3.6
91.05471	18.5
93.07046	16.5
94.50811	3.8
95.04955	10.0
95.08585	19.8
97.02901	9.5
98.97568	46.3
105.07013	12.6
107.08610	10.0
109.06458	5.7
109.10110	12.4
110.97555	9.2
111.04469	5.9
115.05494	4.1
116.98609	40.5
119.04987	5.1
119.08591	10.6
121.10155	8.9
123.04395	8.1
123.11746	8.3
128.98593	27.4
131.00189	4.5
133.10120	5.9
134.99663	39.8
135.04437	5.2
135.11726	5.2
137.05977	36.6
137.13225	5.7
139.03891	6.2
146.99632	33.5
147.04430	13.8
147.11726	7.2
149.01260	8.7
151.04001	5.3
153.00722	8.5
157.10143	4.9
159.11690	6.9
161.01222	16.6
161.13309	4.1
165.00681	7.3
167.07042	9.7
170.99677	4.4
177.00705	19.3
181.04961	7.8
187.14912	4.7
189.00711	14.0
189.91197	3.7
201.00848	6.2
201.05426	9.8
203.02309	7.4
213.09180	5.1
219.01730	39.4
224.03619	16.4
237.02806	100.0
242.04724	9.6
255.03951	11.6
260.04498	7.0
261.02875	6.6
279.04083	5.7
281.06924	9.3
287.05814	4.1
289.06665	5.3
299.04514	8.1
299.08557	4.3
347.08054	8.2
359.22180	7.9
365.09033	20.4
383.10120	63.6
407.10919	5.6
451.09567	38.7
451.19562	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	449.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.0
53.03935	7.7
55.01868	5.2
55.05313	1.8
55.05511	23.1
57.03435	14.6
57.07071	4.5
65.03932	5.9
67.05503	100.0
69.03438	2.2
69.07076	27.0
70.06571	3.4
71.01349	4.4
71.04988	5.0
79.05490	70.2
81.03403	9.8
81.07055	83.9
83.04978	12.0
83.08617	13.2
85.06545	5.5
88.07629	2.6
91.05483	37.0
91.79854	2.0
93.07041	86.2
93.07634	4.9
95.04973	17.9
95.08606	26.6
97.06535	18.0
97.10150	9.7
99.08080	3.5
105.07038	15.8
106.06532	2.1
107.08588	49.1
109.06517	3.7
109.10162	11.9
111.08082	7.5
117.07007	12.5
119.08559	10.3
121.06528	4.3
121.10152	21.5
123.08098	2.6
123.11706	2.6
125.09591	3.8
131.08560	11.8
133.10112	12.3
135.11685	48.3
145.10121	10.2
147.11667	4.0
149.02382	11.8
149.13220	25.1
153.12851	2.4
159.11682	10.5
163.11176	7.9
166.59218	2.5
177.12717	6.8
181.12193	8.3
183.11578	2.4
185.46255	2.4
193.04964	9.6
195.13840	9.9
219.59747	2.0
259.40594	2.0
284.29501	8.1
287.05426	19.5
357.24265	4.1
431.28040	2.3
449.28940	53.9
450.32455	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	449.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73134	0.5
55.05503	2.0
59.51976	0.6
61.02892	0.6
64.51684	0.5
65.03924	0.6
67.05507	7.9
67.06627	0.5
69.07058	2.1
69.35833	5.4
71.04995	0.6
77.74386	0.5
79.05492	5.8
81.07047	7.7
82.08994	0.5
83.04987	1.4
83.08625	1.4
85.06557	0.6
91.05482	4.2
93.07034	6.6
95.04945	1.0
95.08609	2.2
97.06531	0.9
97.10178	1.0
105.07024	2.2
107.08592	3.9
108.51858	0.5
109.06521	0.6
109.10143	1.1
111.13634	0.5
119.08622	1.2
121.06535	0.6
121.10128	1.0
123.11707	0.8
125.58395	0.6
133.10092	1.0
135.11673	3.4
145.10156	0.7
147.04424	0.9
147.11638	0.8
149.13271	1.5
159.11665	0.7
195.13707	0.6
219.06491	0.7
253.55579	0.6
287.05466	5.0
421.29385	1.5
442.41541	0.7
449.28760	100.0
450.29034	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.23
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	17.7
57.03437	14.8
57.07086	10.3
57.09678	5.2
59.81009	5.6
67.05507	58.2
69.07059	22.2
71.04983	6.4
71.08638	62.1
71.17107	11.4
74.09715	33.0
79.05494	65.9
80.51971	5.8
81.03423	10.6
81.07061	78.3
83.04994	11.0
83.08618	15.5
91.05482	32.1
93.07039	76.8
95.04955	16.6
95.08584	47.4
97.06540	11.3
97.10190	6.0
98.98466	41.1
99.08088	43.3
105.07013	22.5
106.13387	5.7
107.04948	15.9
107.08591	45.8
109.06565	6.5
109.10147	10.5
111.08131	6.7
119.08613	32.0
121.10177	29.0
133.10101	24.2
135.11674	36.4
137.09633	6.4
145.10149	10.3
147.11717	10.5
148.01785	5.6
149.13284	17.6
151.11171	24.4
157.10052	7.6
159.11703	8.3
161.13255	19.5
163.11179	13.8
175.86897	5.4
177.12737	7.9
179.14317	92.4
189.12717	7.2
259.20563	9.0
277.21625	78.8
287.05515	17.0
351.25305	100.0
352.25546	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	449.23
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96714	6.0
53.03959	7.6
55.05504	20.0
57.03424	14.3
67.05511	66.1
69.07056	18.4
70.79224	18.7
71.08631	53.2
79.05486	54.3
81.03405	17.5
81.07071	63.0
83.04969	18.4
83.08628	17.7
91.05486	42.9
93.07046	70.3
95.04962	10.6
95.08614	37.2
98.98459	53.2
99.08099	33.7
105.07027	28.7
107.04942	9.5
107.08591	34.0
108.90136	5.4
109.10130	12.7
112.01265	6.5
119.08540	23.5
121.06504	6.4
121.10134	26.0
131.08565	8.9
133.10094	15.7
135.11693	25.6
145.10109	8.0
147.11690	9.9
149.13272	9.8
151.11176	19.5
151.77052	5.6
155.01099	10.8
159.11711	10.4
161.13237	23.3
163.11192	16.4
168.79889	6.8
175.02928	6.5
179.14331	100.0
185.13327	8.6
233.40297	6.6
241.19748	8.8
254.21455	6.4
255.30975	7.1
260.52576	6.8
277.21646	67.4
287.05566	20.9
351.25244	62.7
431.90866	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	449.123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37969	2.0
55.01876	2.9
56.96569	6.2
64.45100	1.7
64.85625	1.7
65.03941	1.7
67.05505	5.3
69.03444	4.8
69.90447	13.9
71.04980	7.6
73.06548	6.0
79.05515	9.4
81.03423	11.1
81.07063	6.0
81.23500	2.0
82.43171	1.6
85.02910	5.8
88.64305	1.9
91.05498	9.2
93.07042	6.5
94.04191	2.3
95.05024	3.4
95.08617	2.8
95.71830	1.8
97.02905	4.1
97.33215	2.1
97.44447	1.8
98.21398	2.4
98.97593	8.0
98.98409	2.5
103.05433	3.8
105.03385	2.2
105.07047	12.3
107.04960	4.1
107.08598	8.6
109.02872	3.5
109.06534	4.3
111.04500	2.3
115.05514	2.7
116.98648	10.4
117.07009	2.4
119.08598	5.1
121.02876	2.4
121.10083	2.6
122.03656	4.4
123.04443	3.9
127.03924	2.9
129.07021	2.3
131.04872	2.2
131.08574	4.9
133.06500	4.4
133.10126	4.4
134.99643	5.8
135.11761	2.3
137.02336	100.0
137.05969	46.3
143.00113	2.2
143.08521	3.1
145.10136	10.2
146.03587	5.4
146.99672	5.1
147.04430	7.0
152.35226	1.9
153.01836	20.6
153.05484	2.0
157.06450	2.5
157.10094	2.1
158.99690	2.9
159.11693	3.3
161.01259	5.5
161.05969	22.2
162.06801	2.0
163.03983	4.2
165.07007	7.6
165.09119	1.9
166.07361	2.7
173.09732	2.8
177.00781	6.2
179.08508	3.2
187.03899	2.1
189.00777	3.6
189.07140	3.9
192.05719	2.5
193.06462	3.0
194.07298	4.0
195.02963	3.8
197.06007	4.5
201.00694	2.2
203.02275	2.7
205.06540	4.1
207.08058	3.2
211.07655	3.1
213.05492	8.7
213.28108	2.0
213.30099	2.4
219.01663	4.0
221.05978	18.3
222.06737	2.6
223.07376	2.8
225.05632	2.9
233.05859	3.0
234.06950	2.2
235.07565	6.6
237.02840	12.0
237.05241	4.0
238.06175	3.7
239.07002	3.5
241.05000	11.4
249.05510	22.4
250.06218	7.5
251.07065	7.7
253.08554	2.7
263.07141	15.2
264.07410	2.1
266.05902	2.7
267.06488	4.7
269.04468	6.3
269.07880	3.6
271.06024	11.0
277.05066	8.7
277.08197	2.1
278.05731	4.1
279.03772	3.1
279.06293	3.8
281.08090	8.1
282.05154	3.7
283.06046	2.5
287.05502	20.3
287.09158	12.2
293.05389	3.9
295.06061	37.5
295.09442	4.2
297.09012	4.0
307.06119	13.7
308.08670	2.7
313.08383	3.9
321.07657	2.9
325.08615	11.6
329.08041	3.3
334.11130	2.5
341.08188	3.2
342.09021	2.8
343.09549	6.2
353.07944	16.3
368.16956	3.3
369.07623	6.2
370.08484	4.5
371.09088	10.4
375.12177	2.1
381.07663	11.2
385.06555	2.7
398.07791	3.7
399.03510	3.1
399.08591	43.9
403.11929	4.9
411.16757	3.9
413.10141	3.9
416.08990	3.0
419.05429	4.3
419.11209	80.2
431.11234	86.6
432.11603	4.2
437.09720	13.6
438.10297	2.1
449.12582	12.1
449.19391	44.8
449.69443	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	449.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.01871	1.5
58.84183	1.1
66.21516	1.2
67.05503	1.6
70.11462	5.4
71.46792	1.1
79.05488	3.1
81.03418	2.1
81.07048	4.0
86.62543	1.4
89.03949	1.2
91.05470	11.0
92.01360	1.3
93.07084	1.9
93.55366	1.2
94.04159	1.7
95.04975	4.0
95.08610	2.1
95.43380	1.2
102.04697	10.1
103.05456	4.1
105.03397	3.8
105.07020	11.6
107.05011	2.0
109.06528	4.3
115.05446	6.0
118.04156	1.8
119.04913	10.2
119.08652	1.4
121.02863	1.3
121.06487	3.0
122.03687	2.8
128.06232	2.7
129.07036	1.8
130.04146	22.5
131.04964	6.8
133.02849	3.9
133.06485	7.1
135.04359	2.4
137.02341	17.6
137.05971	37.9
137.17912	1.2
139.05412	1.4
141.06989	5.1
143.35715	1.1
146.03621	6.4
147.04398	37.0
148.05170	1.4
149.06042	5.7
152.06181	2.2
157.06471	9.0
161.05991	19.1
162.06758	54.2
163.07309	1.9
165.06960	2.7
168.05734	1.4
169.06512	2.4
171.04443	1.9
177.05502	1.9
181.06464	4.6
184.07610	1.2
185.05971	13.6
195.07967	1.9
197.05978	10.0
209.06010	2.5
211.07481	1.3
213.05458	44.3
214.05846	1.7
215.07082	1.5
221.06017	3.3
223.07532	3.7
225.05458	17.2
233.06148	1.4
234.06769	2.0
235.07420	1.8
237.05525	4.7
239.07004	3.7
241.04955	63.6
242.05371	1.5
249.05424	1.4
250.06212	4.8
251.06952	9.3
253.04948	9.4
261.05453	2.9
263.06989	1.2
269.04459	57.6
270.05038	2.9
271.05966	6.6
277.05042	2.6
277.21774	1.5
279.06525	13.4
281.04633	2.4
281.08011	3.4
287.05377	6.4
295.05984	24.9
307.05991	100.0
308.06293	4.0
351.25220	1.8
353.08017	2.2
371.08704	1.4
381.07419	1.8
399.08643	4.3
403.11511	1.5
406.12555	1.2
419.11209	11.2
431.11197	26.9
432.11447	2.1
449.12210	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	449.1228
Annotation	Artonin P
Peak:m/z	Relative Intensity
54.28231	0.6
55.05504	1.7
55.95910	0.6
61.39592	0.7
65.03959	0.7
67.05497	2.2
68.99784	0.9
69.03429	1.0
69.07057	2.0
70.19421	2.8
72.08092	0.7
77.03938	0.6
79.05482	2.5
79.43459	0.7
81.07041	3.8
83.04947	0.7
85.02896	0.8
85.06554	0.8
89.03931	0.8
91.05484	4.0
92.69466	0.6
93.07046	2.1
95.04970	2.3
95.08610	3.0
97.06547	1.0
97.10173	0.7
99.04443	0.9
102.04669	0.7
103.05470	0.8
105.07017	3.2
107.04921	1.9
107.08597	2.1
109.06558	0.8
109.10135	1.6
111.04454	0.6
118.04172	0.7
119.04935	1.5
119.08595	1.3
121.06494	1.2
121.10139	1.7
123.04438	1.3
123.11712	0.6
130.04106	1.2
131.04878	0.6
131.08554	1.4
133.10123	0.7
135.04425	1.1
135.11678	0.8
136.05161	0.7
137.02328	4.5
137.05986	1.5
139.05444	0.7
145.02831	1.0
145.10066	1.1
146.03624	4.9
147.04428	3.2
147.11711	1.0
148.05180	2.8
149.13208	0.7
151.07472	1.2
157.06529	0.9
161.05969	5.9
163.03911	0.9
165.12839	1.1
173.13223	0.8
185.05983	1.1
187.03854	4.6
187.14645	0.7
203.52052	0.7
213.05464	7.2
225.05341	1.1
226.06259	14.4
237.05463	3.5
239.06995	0.8
241.04956	58.4
242.05716	22.8
243.06342	1.2
253.05055	2.8
254.05774	2.2
255.06540	1.5
267.06543	1.2
269.04456	11.3
270.05231	35.4
271.05994	22.2
279.06570	1.0
281.04456	6.1
283.05994	2.4
287.05493	17.4
311.05542	2.1
325.07104	0.8
357.07626	1.7
357.24188	1.8
371.08978	0.9
387.08734	2.6
416.08926	2.3
419.11298	5.1
431.11258	24.3
431.27280	0.8
432.11554	1.2
449.12317	100.0
450.12732	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	449.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.7
65.03922	2.1
67.05514	2.0
69.07057	1.2
71.12428	1.6
71.12756	2.1
77.03982	1.2
79.05490	2.1
81.03410	2.7
81.07026	1.9
89.03913	1.4
91.05475	12.0
91.27320	0.9
94.04167	2.1
95.04962	2.4
102.04681	5.4
103.05457	8.6
105.03384	5.9
105.07015	4.2
107.04932	2.2
109.02875	1.4
109.06509	1.9
115.05456	2.8
117.06913	1.0
119.04948	12.2
121.02871	1.3
121.06514	1.4
121.10172	1.1
122.03630	3.6
124.05193	4.1
125.96190	1.1
128.06238	1.7
129.03355	1.1
129.06987	2.7
130.04124	8.3
131.04922	33.5
133.02843	20.7
133.06474	1.8
135.04411	3.5
136.05202	2.6
137.02347	26.7
137.05966	25.3
137.23282	1.2
139.05479	1.4
141.06993	5.8
146.03658	2.4
147.04413	21.6
149.02393	2.1
149.05983	3.8
150.06712	2.7
151.07565	2.3
152.06290	1.3
153.01817	1.3
153.06966	1.6
157.06487	10.8
161.05980	5.0
162.06746	15.5
163.03888	1.5
163.07530	34.0
165.06886	1.9
169.06526	2.6
171.04356	2.6
179.07014	3.3
180.07805	1.3
181.06488	4.5
183.08081	1.7
184.07224	1.6
185.05959	11.7
193.06490	1.2
197.06001	15.7
202.16597	1.2
205.06477	1.8
207.08046	1.5
209.06044	2.3
213.05463	51.8
214.05724	1.1
215.07025	1.7
218.07286	1.3
219.07932	1.2
221.06007	3.1
223.07547	4.2
224.04700	2.9
225.05464	23.4
234.06735	1.8
235.07599	2.6
237.05513	7.2
239.07085	4.2
241.04953	74.4
249.05521	1.7
250.03970	1.1
250.06216	6.1
251.06972	6.4
253.04933	14.1
255.06337	2.2
261.05658	1.2
262.06320	1.1
263.07083	3.2
264.04327	1.2
267.06393	5.2
268.03683	2.5
269.04449	100.0
270.04965	2.7
271.05927	6.3
279.06528	5.4
281.04453	5.5
281.07816	1.5
283.05933	1.3
287.05545	4.9
290.05698	1.3
295.06000	35.5
297.09030	1.2
307.06000	27.0
313.07324	1.2
315.10211	1.6
325.07550	3.5
329.08112	2.0
341.07913	1.2
343.09723	3.1
353.08093	5.5
357.07623	1.7
381.07632	3.0
399.08664	10.9
401.09778	1.2
419.11270	17.3
431.11185	10.7
449.12308	74.3
450.12958	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1077
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
55.01847	0.2
56.05047	0.1
68.99786	0.4
69.03423	0.2
69.27386	0.8
69.27824	0.7
70.06581	0.1
71.31814	0.1
81.03410	0.4
85.02898	0.2
86.09698	0.2
97.02897	0.2
102.05516	0.1
109.02837	0.4
112.81302	0.1
115.05444	0.4
117.62029	0.1
121.02841	0.6
123.04401	0.4
127.03925	0.4
129.07034	0.2
133.06389	0.2
137.02338	2.4
137.03337	0.1
141.06981	0.2
143.03389	0.2
143.04880	0.2
147.04359	0.4
149.02304	0.6
153.01820	1.7
157.06500	0.6
161.05949	0.4
163.03867	0.1
165.01808	0.2
167.07037	3.5
168.54642	0.1
171.04349	0.2
175.03917	0.3
177.01788	0.2
185.05972	0.7
189.05457	0.3
193.04976	0.2
203.07042	0.2
212.92497	0.1
213.05476	2.2
216.04208	0.3
217.04842	0.2
231.06480	0.9
241.04926	1.0
242.05748	0.2
259.06015	0.3
269.04413	0.4
287.05484	100.0
288.05817	3.7
288.08444	0.1
357.29703	0.1
449.10468	0.7
449.17255	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.108
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
56.96565	1.3
61.02916	0.4
61.65312	0.2
68.99774	0.3
69.03415	0.6
71.57710	0.2
81.03413	0.6
84.04495	1.1
84.96049	0.3
85.02891	0.9
86.09690	0.4
89.03901	0.3
91.05433	0.3
97.02895	0.6
98.97568	1.0
101.00829	0.2
101.80450	0.2
107.04971	0.3
109.02853	0.3
110.97608	0.2
115.05470	0.3
116.98627	0.7
119.01922	0.6
119.04934	0.2
121.02864	0.4
125.02375	0.2
126.05515	1.0
127.03917	0.5
134.99629	0.6
135.04399	0.4
137.02335	2.5
137.03320	0.4
137.05939	0.3
138.05360	0.2
139.05429	0.2
141.10239	0.2
143.04910	0.2
146.99689	0.4
147.04419	0.4
149.01192	0.4
149.02292	0.4
150.03127	0.2
153.01848	1.4
157.06526	0.5
158.99652	0.2
161.02908	0.5
161.05995	0.3
163.03856	0.9
165.01904	0.3
171.04446	0.3
175.03947	0.3
175.07625	0.2
177.00624	0.4
185.05972	0.8
187.10852	0.2
189.05554	0.4
191.03743	0.2
198.01176	0.2
201.05986	0.3
203.03983	0.2
203.07069	0.3
212.09015	0.3
213.05472	2.7
216.04153	0.4
217.05121	0.2
219.01773	0.6
221.05087	0.3
229.11774	0.4
231.06502	1.1
237.02754	0.8
241.04855	1.2
244.04919	0.3
246.14468	0.6
259.06488	0.2
263.00653	0.3
269.04642	0.3
287.05487	100.0
288.05801	3.1
419.19098	0.2
449.09625	0.6
449.15143	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1078
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03943	0.4
53.17826	0.3
55.01857	0.5
56.96548	0.3
57.03419	1.1
59.04978	0.3
61.02918	0.8
67.05502	0.5
69.03421	3.4
70.06569	0.6
71.16185	0.8
73.02916	0.6
79.05497	0.4
81.03410	1.2
81.07056	0.5
85.02901	5.2
86.09704	0.4
87.04453	0.5
91.05501	0.3
93.07034	0.5
95.04998	0.4
95.08627	0.3
97.02892	2.5
98.97598	1.5
100.70018	0.3
105.03411	0.7
107.04945	0.6
109.02866	0.7
116.98626	1.8
119.04859	0.4
119.08582	0.4
121.02872	2.3
123.04430	0.3
127.03918	1.5
129.07021	0.5
133.02863	0.4
134.99648	1.1
137.02344	4.3
137.05966	0.4
145.04974	0.5
147.04414	1.0
149.02309	0.4
151.03909	0.3
153.01884	0.4
153.09677	0.3
157.06496	1.4
158.99687	0.4
161.05994	0.4
165.01775	0.6
177.00652	1.2
177.01991	0.5
181.01425	0.3
183.02904	0.7
185.05977	1.3
187.04007	0.5
189.05484	1.2
193.05031	0.8
197.05983	1.2
197.25050	0.3
201.05505	0.4
203.07016	2.4
213.05457	16.0
214.05876	0.4
217.04951	0.7
225.05547	0.5
225.07806	0.5
229.04941	0.4
231.06543	1.8
241.04938	9.6
243.06746	0.4
243.09045	1.5
259.06003	0.4
269.04498	2.8
283.06000	0.6
285.07507	0.7
285.10245	0.4
286.04803	0.7
286.07819	0.4
287.05493	100.0
288.05844	3.5
299.05505	6.4
300.06189	1.2
303.05206	0.3
311.05447	1.2
313.07019	0.6
325.07092	1.1
329.06525	6.2
336.43353	0.3
339.08664	0.8
353.06540	2.0
365.06409	0.6
377.06461	0.5
383.07407	1.1
395.07550	1.3
413.08755	1.8
431.09872	1.3
449.10663	6.8
449.23511	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1079
Annotation	Quercetin-3-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
52.81684	0.5
57.03424	2.6
65.31146	0.7
68.99800	0.8
69.92430	4.0
71.97345	0.6
73.02922	5.4
81.03405	0.7
85.02916	1.0
101.29002	0.6
101.33064	0.6
115.06512	0.8
117.03352	0.7
135.04408	1.8
153.01836	9.7
155.04933	0.7
171.02908	1.0
229.04947	1.3
245.04666	0.7
257.04440	1.0
274.04712	2.1
285.03903	1.8
287.05505	100.0
288.05905	3.5
302.04193	4.8
303.04639	0.9
317.06577	32.2
318.07019	1.1
449.10812	13.4
450.11273	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1077
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
56.16697	0.6
57.03418	0.9
58.87358	0.7
61.02940	1.1
64.60829	0.8
68.99786	1.4
69.03417	2.8
70.75702	1.5
70.76030	0.8
81.03394	1.5
85.02901	10.4
86.01633	0.7
91.32767	0.7
97.02869	2.5
109.02866	1.1
121.02845	3.9
127.03912	1.6
145.04904	1.2
147.04382	2.7
153.01822	5.6
157.06476	1.0
165.01843	2.7
178.16646	0.6
183.02855	1.1
185.05951	0.9
213.05464	1.2
231.06544	1.2
286.07904	1.2
287.05490	100.0
287.07889	3.6
288.05826	3.0
294.53522	0.8
299.05646	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1076
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
52.42132	0.2
56.96552	0.4
57.07686	0.3
57.90053	0.2
63.08661	0.3
67.01836	0.3
67.05495	0.3
68.99801	0.4
70.83644	0.8
71.04993	2.0
81.03396	0.4
85.02892	2.2
86.09682	0.5
95.04926	0.4
97.02859	0.3
107.08593	0.3
108.59360	0.2
111.04514	0.3
111.26572	0.2
114.36738	0.2
119.08612	0.3
121.02817	0.7
127.03863	0.3
135.04434	1.9
137.02338	0.9
153.01811	6.0
157.06480	0.3
164.11513	0.4
165.01839	0.5
171.02884	0.7
201.05460	0.4
209.06320	0.3
211.52571	0.3
213.05446	0.6
229.04941	0.3
231.06604	0.3
241.04936	0.5
266.21985	0.2
269.04385	0.5
287.05478	100.0
288.05789	3.2
303.04971	6.8
339.61438	0.3
361.02341	0.7
379.03113	0.5
449.10791	0.9
449.17426	0.5
449.31070	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1075
Annotation	Luteolin-7-glucoside
Peak:m/z	Relative Intensity
67.01862	0.4
68.99797	0.5
70.05631	0.8
80.00829	0.2
135.04416	1.6
137.02322	0.3
153.01823	4.5
161.02373	0.5
171.02977	0.5
179.03328	0.4
196.22296	0.2
198.64708	0.2
241.04915	0.5
245.65927	0.2
269.04437	0.5
287.05490	100.0
288.05817	3.9
444.07074	0.3
449.10550	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.1
53.54237	0.1
56.05027	0.1
60.04519	0.1
65.03931	0.2
67.01880	0.1
68.99789	0.8
69.03422	0.4
70.06577	0.3
71.57784	0.2
72.08149	0.1
79.01812	0.1
79.05494	0.2
81.03413	0.6
81.07048	0.1
84.08154	0.1
85.02894	0.5
86.09698	0.2
87.00849	0.1
91.05460	0.1
95.04939	0.2
97.02880	0.5
103.05454	0.2
105.03390	0.3
107.04975	0.6
107.08561	0.1
109.02866	0.5
111.00791	0.9
111.04443	0.2
117.07026	0.1
117.65640	0.1
118.30652	0.1
121.02871	3.4
125.02344	0.1
127.03899	0.5
129.07031	0.2
131.04893	0.1
133.02849	0.6
133.06424	0.1
135.04419	0.3
137.02348	1.4
139.03885	0.1
141.06927	0.2
143.03368	0.2
145.06552	0.3
147.04396	0.8
149.02278	0.1
151.03902	0.1
152.43381	0.1
153.01826	8.1
154.02180	0.2
157.06512	0.7
161.05966	0.3
165.01839	2.2
171.02899	0.2
171.04373	0.3
183.02913	1.2
183.41464	0.1
185.05983	0.7
185.08109	0.1
189.05492	0.2
194.02078	0.2
197.06009	0.2
203.03467	0.2
203.07074	0.2
213.05458	1.9
217.04921	0.1
229.04919	0.3
231.06534	0.8
241.04948	1.0
243.06491	0.2
257.04199	0.1
258.05222	1.4
259.05984	0.6
269.04501	0.2
287.05487	100.0
288.05829	3.3
297.05945	0.5
299.05469	0.3
303.04980	2.3
311.05676	0.1
329.06433	0.2
352.54153	0.1
395.07953	0.1
449.10779	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1075
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
52.32315	1.2
55.26162	1.3
57.03438	1.7
64.17719	1.1
69.03419	3.5
70.37523	4.8
71.04979	4.9
71.05339	1.1
82.54538	1.1
85.02910	14.5
88.52319	1.1
89.86572	1.1
93.48433	1.3
97.02877	3.0
98.20843	1.8
99.77032	1.0
111.00813	1.6
121.02842	2.0
127.03908	1.7
153.01897	5.6
165.01819	2.2
166.92921	1.1
183.02907	1.4
185.35544	1.3
213.05426	1.6
241.04839	1.4
270.98468	1.3
287.05496	100.0
288.05811	3.3
303.04886	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	449.1078
Annotation	evolvuside B
Peak:m/z	Relative Intensity
53.03925	0.9
56.13089	0.9
57.03456	0.9
61.02906	1.3
68.99773	1.7
69.03425	1.8
70.06586	3.1
71.42258	1.1
72.08144	1.1
78.52447	0.9
79.05509	1.1
81.03413	3.0
84.04466	1.0
84.08176	1.0
85.02910	3.3
86.09710	2.9
89.75535	0.8
95.04993	1.4
97.02898	2.8
104.05306	0.8
107.04977	1.5
109.02894	2.2
119.04948	1.4
121.02863	4.2
123.04442	1.1
127.03898	1.4
135.04433	4.3
137.02344	12.0
137.05933	1.0
139.03830	0.8
141.01826	2.2
147.04419	2.1
149.02335	2.8
151.03987	0.9
153.01834	7.2
153.05501	2.0
161.02377	2.6
161.05989	1.3
163.03877	3.0
165.01813	11.3
167.03401	6.3
167.07031	1.5
177.01820	4.2
179.03363	1.4
181.04939	1.4
183.02905	10.5
185.08115	3.1
187.03946	1.1
191.03389	1.6
195.02785	1.1
203.03528	1.0
213.05460	2.2
218.68683	0.9
229.04939	1.2
241.04976	1.9
255.06653	1.4
271.05997	1.2
272.06873	1.2
283.06073	8.7
286.04709	3.2
287.05490	51.9
288.05893	1.8
295.06036	2.0
297.07605	7.0
299.05493	100.0
300.06113	11.6
303.04938	8.0
309.07660	1.0
311.05502	12.2
311.08911	1.7
313.07016	2.7
321.07642	1.7
323.05292	1.1
324.06143	1.6
325.03299	2.2
325.06995	18.1
327.05142	1.5
329.06537	67.2
330.06921	2.7
337.07059	2.9
339.08569	12.2
349.07153	3.3
353.06531	35.7
354.06918	1.1
365.06589	11.4
367.08212	2.3
377.06470	9.6
383.07584	18.4
395.07593	17.6
396.07898	1.1
413.08707	18.4
431.09662	7.5
449.10492	3.3
465.39087	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81226	1.1
61.02923	6.1
67.39490	1.1
69.03419	1.7
69.57348	4.0
69.57774	3.6
72.73232	0.8
73.02921	1.8
74.76264	0.8
76.81837	0.9
85.02897	4.9
91.03944	2.5
95.20714	0.8
97.02876	2.9
98.20724	1.0
111.00785	1.0
121.02851	5.0
126.35344	0.9
147.04362	1.3
153.01813	5.9
165.01866	2.0
183.02893	1.6
197.55756	1.1
213.05542	1.4
222.88680	1.0
258.05328	1.3
258.31235	1.1
280.98547	0.9
287.05499	100.0
287.12170	5.0
288.05710	3.7
412.80240	0.9
449.17429	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	449.1073
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
51.39755	0.1
56.96563	0.1
60.02539	0.1
65.03941	0.2
67.01867	0.1
68.99780	0.8
69.03412	0.4
70.06583	0.3
71.58013	0.2
72.43673	0.1
75.86890	0.1
79.01834	0.2
79.05477	0.2
81.03419	0.6
84.04475	0.1
84.08116	0.1
85.02893	0.6
86.09702	0.2
95.04954	0.3
97.02882	0.4
97.03606	0.1
105.03384	0.4
107.04961	0.4
109.02864	0.7
111.00816	0.7
111.04386	0.2
121.02861	3.0
121.03901	0.2
125.02346	0.1
127.03887	0.5
129.07007	0.2
133.02869	0.7
135.04420	0.3
137.02339	1.3
139.03963	0.2
141.06841	0.1
143.03413	0.2
145.06482	0.4
147.04424	0.6
149.02357	0.2
153.01826	8.5
154.02094	0.1
157.06467	0.7
161.05913	0.1
163.03880	0.1
165.01820	2.3
171.02943	0.2
171.04343	0.2
175.03943	0.2
183.02885	0.9
185.06006	0.6
185.07539	0.1
189.05486	0.3
197.06013	0.2
201.05594	0.1
203.07063	0.2
213.05460	1.8
229.04993	0.2
231.06503	0.7
241.04935	1.0
243.06305	0.2
258.05246	1.4
259.05969	0.6
269.04468	0.3
285.03879	0.1
286.04547	0.1
287.05481	100.0
288.05832	3.5
297.05917	0.6
299.05356	0.2
303.04929	1.8
329.06534	0.3
347.81003	0.1
388.54187	0.1
449.10669	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0866
Annotation	XL147
Peak:m/z	Relative Intensity
64.24358	0.3
67.05486	0.8
68.99775	0.9
69.03451	0.4
69.07056	0.5
69.43845	3.0
71.04966	0.3
79.05476	0.7
81.03410	0.5
81.07028	1.0
85.02940	0.5
91.05460	1.4
93.07029	0.8
95.04925	1.0
95.08596	0.8
97.02868	0.5
98.21510	0.7
103.05468	0.3
105.03342	0.4
105.07006	0.7
107.08559	0.4
109.10142	0.4
119.04929	1.4
119.08533	0.6
121.02855	0.3
121.10144	0.5
123.03575	0.6
123.04434	11.4
123.11722	0.4
127.03841	0.4
129.07062	0.4
131.04849	0.3
133.10120	0.5
135.04395	0.5
137.05952	0.8
139.05460	0.5
145.10123	0.6
147.04413	3.3
151.07471	0.3
153.01733	0.4
157.06389	0.5
159.11633	0.6
164.07043	0.3
171.04445	0.4
177.05420	0.4
185.05956	0.6
195.04408	1.3
213.05469	10.2
223.03970	1.5
227.03409	0.8
238.47302	0.3
241.02632	0.6
241.04964	6.2
243.02893	0.6
253.04990	0.7
255.06517	0.5
256.36938	0.3
269.04462	15.7
269.12683	1.6
270.05066	1.8
271.06042	0.5
272.06107	0.3
281.04517	0.7
283.05896	0.5
285.03925	2.8
287.05505	6.4
287.08615	0.5
287.13983	2.7
293.04507	0.6
297.03943	100.0
298.04523	4.6
309.03967	0.7
311.05389	2.3
327.05008	5.8
329.34189	0.4
339.04907	1.5
449.08679	47.4
450.08881	1.6
458.50287	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23928	2.4
53.03942	3.9
55.01857	2.6
55.05508	11.6
56.05040	16.0
56.96556	2.5
57.03438	4.1
57.07061	3.4
58.06584	11.8
61.02907	3.1
62.06055	2.2
65.03925	2.8
67.05481	10.1
68.04996	2.7
69.03428	19.0
69.07051	4.1
70.06573	8.3
71.04980	5.1
71.33656	4.5
74.06065	4.5
75.96990	2.3
77.35472	2.2
79.05480	10.5
80.05016	2.7
81.03407	7.2
81.07040	9.3
82.06573	8.4
83.04971	8.9
83.08612	10.1
83.75481	2.4
84.04498	5.8
84.08116	7.5
85.02897	26.9
85.06535	4.7
86.06065	8.6
86.09686	4.3
87.04454	4.2
88.97429	2.7
91.05434	4.1
93.07026	10.3
94.06558	3.3
95.04961	6.6
95.08604	12.9
96.08116	6.6
96.23450	2.3
97.02874	10.4
97.06519	5.1
98.06053	6.3
98.09678	14.4
99.04442	8.4
100.07614	11.6
105.07015	10.4
107.08614	20.8
108.08086	4.0
109.02865	2.9
109.06520	17.5
109.10164	12.6
110.06025	10.7
110.09715	4.5
111.08075	3.0
113.05980	3.5
114.05457	3.1
114.45207	2.1
119.05025	2.6
119.08561	13.8
120.08069	2.3
121.02869	4.4
121.10120	13.9
122.09649	5.8
123.04466	2.3
123.08050	8.1
123.11684	5.6
124.07578	5.4
124.11229	3.3
125.09609	9.4
126.09114	4.7
127.03910	6.7
131.08560	7.8
133.10120	8.8
134.09663	2.6
135.08020	3.5
136.07506	2.6
136.11270	2.8
137.02344	2.6
137.09615	4.3
139.03941	4.1
142.08643	7.4
144.06534	6.6
145.04921	2.9
145.10107	5.9
147.11674	6.7
148.11189	6.3
149.09584	13.5
151.11215	7.8
153.01784	4.6
154.08611	4.8
157.07574	5.0
157.10057	2.8
158.05962	4.1
159.11703	2.8
161.13231	3.3
163.11145	3.7
163.14769	2.5
164.14326	5.8
165.12852	3.5
167.10596	3.5
167.14294	6.0
168.10249	4.8
171.11554	3.0
174.12788	2.2
175.11224	5.6
181.14635	2.3
186.07652	3.9
187.05933	3.9
187.08646	4.4
189.12762	4.7
190.15901	4.2
192.13789	4.5
193.12256	3.8
204.08670	14.7
206.15388	4.6
207.13823	8.0
209.15381	12.1
222.09772	11.3
224.16481	5.0
225.14854	5.0
232.16966	7.7
233.15373	3.4
242.09256	3.2
250.18008	53.9
251.16341	9.5
260.10437	2.4
264.37244	2.3
268.19077	85.2
268.21960	5.0
286.20132	12.7
287.05478	100.0
296.25671	2.4
325.13351	2.3
345.10370	2.9
412.23560	4.6
430.24414	25.4
437.12943	2.5
440.32358	2.8
448.25443	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	448.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.3
55.05510	3.5
59.96056	2.0
64.66491	2.0
67.05496	5.9
69.03421	4.4
69.07054	9.0
70.04759	10.5
70.05154	4.1
70.06557	2.3
71.04980	5.0
73.39330	2.6
78.39620	2.0
79.05476	9.6
81.07051	10.8
83.04962	4.4
84.04498	4.2
85.02893	10.0
86.09702	2.4
87.61813	2.1
91.05483	6.1
93.07038	11.7
95.04954	6.9
95.08595	6.6
97.02870	4.5
97.06516	7.9
98.21490	3.4
99.04472	4.2
105.07007	13.7
107.04952	8.5
107.08587	11.0
109.06533	2.2
113.95231	2.1
116.01640	4.6
117.06986	3.7
119.08545	5.7
121.02856	4.4
121.06496	10.3
123.04363	2.5
125.05977	8.7
131.08582	4.5
133.06436	2.7
135.08057	3.5
135.11748	3.1
136.14742	2.2
137.05966	4.0
139.07516	4.6
143.07019	8.5
143.08545	3.1
145.10115	29.9
147.11714	4.2
148.08781	2.4
149.02319	2.4
151.07480	2.3
153.01799	8.0
159.11711	7.8
161.13164	2.7
162.02219	7.3
163.11166	100.0
169.10059	2.9
173.09616	31.2
175.27745	2.2
181.68077	2.2
187.11150	13.0
189.12750	3.9
191.10710	20.2
197.09613	2.8
205.12244	5.6
213.05542	3.1
215.10727	11.9
233.11694	48.9
251.12793	4.3
269.13782	6.0
285.07455	2.9
286.07819	4.2
287.05502	87.2
303.04913	15.4
304.05344	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	448.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.9
55.05508	4.2
55.53765	0.5
56.05043	0.7
57.03439	3.1
57.07072	0.8
58.99586	7.2
61.01156	2.7
62.99068	1.9
65.91018	0.5
67.05505	11.8
69.07065	2.5
70.70627	1.7
71.05002	0.7
71.08635	8.1
72.04507	2.1
72.51572	0.5
73.01141	0.6
73.02878	0.7
75.02673	0.5
75.46814	0.5
76.02229	31.6
77.00616	1.9
77.63435	0.5
79.05494	3.5
81.07069	2.9
82.06562	0.7
83.06081	2.8
83.08607	1.6
84.04503	13.9
85.01135	0.8
86.99037	1.1
87.02676	1.8
88.02218	2.0
89.00623	11.4
90.05044	0.9
90.05555	12.2
91.02149	0.7
91.05447	0.6
95.04903	0.7
97.01099	0.6
97.02872	0.6
97.10161	5.4
99.02674	2.3
99.07473	0.9
99.08091	9.7
99.08737	0.6
101.22624	0.5
103.02144	0.6
104.01687	3.1
105.07031	1.0
107.08589	2.6
109.10156	10.7
111.02659	0.7
116.01681	5.8
116.59849	0.5
126.05526	10.1
126.12794	4.6
127.11192	11.3
129.06624	4.3
130.03258	1.0
130.05014	2.2
133.10136	1.1
141.04715	0.5
141.07324	2.1
142.03247	3.1
143.08589	0.5
144.06563	19.0
147.07932	0.5
150.12778	0.6
153.01892	0.6
153.06595	0.6
158.01405	1.1
158.02716	23.3
159.08398	63.9
160.08861	0.7
161.09601	1.7
167.08894	2.2
170.02652	0.6
175.05396	3.7
176.03764	9.3
181.06134	0.8
184.11575	5.3
187.05397	1.9
193.06429	23.6
195.08386	0.7
202.12614	14.4
215.04875	1.3
233.05862	4.4
241.06467	0.5
259.07449	0.7
261.19989	0.6
286.08133	0.6
287.05499	3.3
301.15805	100.0
302.13693	1.1
302.16544	1.1
303.04990	1.3
304.05334	1.3
319.16998	2.4
341.15259	1.6
359.16348	11.4
412.51859	0.6
430.19995	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	3.5
53.03935	8.7
55.01863	7.9
55.05511	38.3
57.03440	16.9
60.32802	2.8
65.03935	5.2
66.49862	2.4
67.05508	85.2
69.03440	5.0
69.07072	25.5
69.51217	17.6
71.01366	6.9
71.05003	3.7
79.05495	80.3
81.03423	100.0
81.07060	43.4
83.04980	16.8
83.08622	29.2
85.02878	3.4
85.06538	4.5
91.05477	63.5
93.07047	62.6
95.04976	58.6
95.08617	21.3
97.02890	3.6
97.06525	13.9
97.10166	21.0
105.07034	35.4
107.04948	19.2
107.08604	37.7
109.06531	9.1
109.10165	15.5
111.08089	10.1
115.05473	4.6
117.07047	17.5
119.04961	4.6
119.08578	28.1
121.06541	14.2
121.10140	12.4
123.08098	5.0
125.09645	9.3
128.06218	3.9
129.07011	24.1
131.04962	4.9
131.08586	22.1
133.06494	11.0
133.10150	16.6
135.08063	5.3
135.11708	49.9
137.05949	3.1
137.09651	4.2
141.06996	6.2
142.07773	3.3
143.08557	9.2
145.06485	10.5
145.10139	18.2
147.08049	8.3
147.11681	14.9
149.02383	5.1
149.09625	9.9
153.05505	2.8
155.08583	6.8
157.10118	19.7
159.08092	5.3
159.11720	8.4
161.09612	2.6
163.11221	9.0
165.12830	2.8
169.10135	5.5
171.08110	3.1
171.11646	4.6
173.09685	2.8
175.11229	10.0
181.12257	6.1
183.11687	5.2
185.13324	8.4
187.11185	5.1
189.11259	7.0
193.12231	30.4
203.10715	2.5
203.14351	6.6
213.12863	3.8
227.12724	2.7
229.12274	3.6
243.13756	2.5
249.14890	4.1
257.15460	4.4
329.21164	7.6
337.21490	9.6
347.22049	3.0
355.22675	20.5
373.23709	11.4
403.24902	8.7
429.25931	14.6
447.27460	79.7
448.28015	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	447.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52411	3.4
53.03948	8.8
55.01862	9.9
55.05511	53.2
56.96569	4.2
57.03440	19.5
57.07082	5.2
67.05169	7.6
67.05506	97.2
69.03428	12.0
69.07067	28.5
71.04986	4.7
79.05492	90.0
81.03419	100.0
81.07050	71.6
81.26364	4.5
83.04960	22.0
83.08616	34.1
85.06528	10.1
91.05468	73.3
93.07040	85.3
95.04968	61.4
95.08601	36.0
97.02890	6.8
97.06537	16.4
97.10143	24.7
105.07018	50.5
107.04967	24.9
107.08595	57.5
109.06534	9.3
109.10158	14.4
109.98505	3.9
111.08095	13.1
112.99999	14.3
117.07020	22.4
119.04962	5.8
119.08584	34.7
121.06531	15.5
121.10141	22.3
123.08026	5.4
123.11717	4.9
125.09628	15.7
128.06165	4.8
129.07001	32.2
131.04893	5.3
131.08542	30.5
133.06509	13.1
133.10139	21.9
135.08043	7.0
135.11707	61.0
141.07042	6.1
142.07776	7.3
143.08595	12.6
145.06473	11.5
145.10138	23.6
147.08116	11.2
147.11696	15.4
149.02339	11.3
149.09650	11.1
149.13174	4.6
153.06978	4.2
155.08563	7.3
157.06392	4.7
157.10130	18.4
159.08081	9.5
159.11678	13.3
161.09564	5.2
163.11237	10.4
167.08643	4.4
167.84117	3.9
169.02597	9.3
169.10143	4.1
171.07970	4.3
171.11700	6.1
173.09584	4.3
175.11194	12.5
181.12114	4.1
185.13289	9.2
187.11368	4.7
189.11223	9.8
193.12196	30.7
193.73331	4.1
203.14325	10.4
205.12239	4.9
213.12756	5.0
257.15475	4.4
329.21140	15.8
335.25711	6.0
337.21585	9.6
345.24411	4.6
355.22778	28.3
373.23679	16.0
382.72482	4.2
403.24777	12.4
429.26379	17.3
429.33768	5.1
447.27188	99.7
448.27542	4.4
467.16821	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	447.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.8
55.01884	19.0
55.05513	51.2
57.03434	60.9
57.07080	17.1
57.07301	3.5
67.05170	4.3
67.05502	47.3
69.07067	45.3
70.23666	3.3
70.27912	7.6
70.28308	7.4
71.08620	11.9
75.95859	3.4
79.05496	27.4
81.07048	45.9
83.04980	4.7
83.08624	37.1
84.12972	3.4
84.25254	3.2
85.10169	5.9
86.46766	3.2
90.66930	3.2
91.05459	13.7
93.07042	39.1
95.04981	4.5
95.08599	37.7
97.06543	5.7
97.10175	20.3
97.10701	3.4
98.98460	73.5
105.07037	18.7
107.08588	22.4
109.10150	18.5
111.08123	3.8
112.99319	3.6
113.00014	100.0
116.99466	4.2
117.06948	3.9
119.08572	11.6
121.10150	23.4
123.11687	6.2
131.08543	5.7
133.10153	8.1
135.11659	21.4
136.99979	57.7
137.13277	4.5
145.10112	9.3
147.11679	4.6
149.02371	6.9
149.13211	10.1
155.01048	69.6
159.11752	3.3
163.14836	5.4
169.02603	44.3
170.02739	3.8
173.13237	4.3
185.12939	3.1
187.03709	11.9
193.02644	11.9
207.51904	3.8
211.03651	13.9
223.68024	3.2
235.70016	3.6
237.22079	11.7
243.21133	11.6
261.22195	25.5
308.25378	3.3
311.25775	55.3
317.24890	7.3
327.04367	3.3
335.25690	35.7
378.93811	3.7
447.25043	83.7
448.25162	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	447.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.9
55.01861	11.1
55.05512	34.4
56.96557	4.1
57.03444	42.3
57.07070	9.4
67.05502	60.8
67.05840	6.3
69.03441	4.6
69.07076	40.7
69.94786	14.6
71.08623	7.3
79.05490	42.5
81.03420	19.7
81.07060	81.2
83.04996	5.5
83.08620	27.5
85.10184	4.0
91.05454	27.9
93.07046	43.5
95.04962	16.8
95.08614	46.8
97.06522	4.5
97.10175	17.1
98.98472	35.0
105.07034	21.7
107.08587	32.9
109.06538	5.9
109.10165	24.8
111.08054	5.6
111.11716	3.9
113.00024	100.0
117.07018	8.6
117.77486	2.8
119.08583	21.5
121.10166	19.1
123.11677	11.3
129.06985	7.1
131.01027	3.0
131.08577	12.8
133.10127	10.5
135.11703	16.4
136.99973	37.6
137.13249	5.2
145.10161	7.3
147.11693	6.1
149.02338	10.4
149.13245	5.8
155.01047	37.3
159.11688	7.6
162.31439	3.7
163.11166	4.9
169.02565	20.9
169.10117	3.8
173.13182	3.6
175.14929	3.6
178.02715	2.9
185.13324	4.0
187.03642	9.3
193.02580	8.1
211.03604	6.0
211.06583	3.3
237.22165	9.5
243.21126	7.2
261.22083	19.7
311.25775	33.5
316.38525	3.4
317.24631	8.4
321.60980	3.2
335.25797	70.2
336.26212	4.7
355.22549	5.5
404.08331	3.5
429.25537	3.8
447.25046	41.3
447.31317	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	447.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
55.01868	2.2
55.05513	3.4
55.28276	0.5
56.96546	0.8
57.03434	4.7
59.04963	0.7
61.02926	14.0
65.69852	0.5
67.05504	7.7
69.03090	0.6
69.03428	6.4
69.07069	4.3
70.06580	0.5
70.47289	0.6
71.01324	0.9
71.04993	2.7
71.58352	0.9
73.02917	6.3
79.05485	5.4
81.03419	4.7
81.07056	21.1
83.04987	2.6
83.08607	1.8
85.02430	0.8
85.02906	13.6
85.06533	1.4
87.04486	0.7
91.03973	7.2
91.05452	6.6
93.07032	4.0
95.04958	1.3
95.08611	4.3
97.02889	9.8
97.06522	2.4
99.04443	2.5
99.08091	1.7
101.02374	2.7
103.03958	0.7
103.05489	0.6
105.06385	0.8
105.07025	9.5
107.04899	0.6
107.08588	4.5
109.02882	3.5
109.06495	2.3
109.10133	1.6
111.04426	1.0
113.05975	0.8
115.03946	1.1
117.05470	0.7
117.07032	1.0
118.04100	0.6
119.04967	0.7
119.07807	0.7
119.08589	8.6
121.06487	0.7
121.10141	6.4
123.04426	1.3
123.08055	1.2
123.11700	7.3
127.03933	5.9
127.07560	0.6
129.05460	0.8
129.06932	0.7
133.06454	0.6
133.10130	0.9
137.02324	2.0
137.05946	1.7
137.13261	0.9
141.09029	0.7
145.04927	1.4
145.06496	0.9
145.10117	0.7
147.04442	0.8
147.11682	23.8
149.02356	1.5
152.01048	3.8
153.01831	1.6
157.10098	1.1
163.03833	0.9
165.12755	14.9
167.07047	1.7
168.05676	2.0
170.02080	4.1
171.41284	0.6
175.11269	0.7
179.03377	1.3
181.08606	0.7
183.06523	1.2
183.08046	4.0
183.13776	2.3
186.06766	0.8
193.12219	1.5
195.02863	0.6
196.05167	1.0
201.07565	1.1
211.07544	3.0
211.53246	0.6
214.20567	0.7
216.41452	0.5
229.08597	9.1
229.14372	4.5
239.07068	1.5
242.05878	1.5
253.04965	1.0
267.15970	5.0
269.04449	1.6
270.05182	1.6
271.06009	1.8
285.07565	100.0
285.16870	14.3
286.07993	6.0
293.06741	0.8
303.05011	7.6
309.17114	0.9
327.04987	1.6
361.02792	0.6
361.09668	1.1
379.10349	1.1
411.20090	1.0
415.10101	0.8
447.12955	2.7
447.21942	1.1
447.33276	0.5
448.13931	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30410	0.4
50.63858	0.6
53.03942	0.8
53.71521	0.5
54.37149	0.5
55.01861	1.1
55.05498	2.9
57.03437	3.9
60.61966	0.6
61.02930	8.1
67.05502	4.6
69.03144	0.4
69.03433	5.2
69.07054	0.9
69.28461	0.6
69.94073	1.9
69.94508	1.4
71.01342	0.6
71.04996	1.2
71.15326	0.5
72.08145	0.6
73.02907	4.5
76.95636	0.5
79.05486	4.0
81.02930	0.7
81.03416	11.4
81.07057	5.5
83.04964	2.5
83.08632	2.6
84.08131	0.8
85.02428	1.0
85.02903	12.1
86.09685	1.0
91.03953	4.3
91.05447	6.7
93.07047	3.7
95.04964	5.5
95.08587	1.9
97.02901	7.5
97.06523	0.8
98.21449	0.8
99.04457	1.7
101.02354	2.2
103.03947	0.8
105.07034	3.6
105.99727	0.5
107.04934	2.2
107.08603	1.4
109.02863	1.9
109.06496	1.3
109.10136	1.2
111.04398	0.7
111.08085	1.8
117.06996	0.8
119.04893	0.8
119.08582	2.5
121.02859	4.3
121.10123	1.6
123.04380	1.0
123.08054	1.2
123.11674	0.6
124.80503	0.6
127.03898	3.6
128.06120	0.6
129.05490	0.8
129.07018	1.8
131.08543	2.5
133.06503	0.8
133.10103	3.1
137.02321	1.6
137.06000	0.6
145.04901	0.6
145.06477	1.2
147.11679	2.8
149.02325	2.3
149.09616	1.2
149.54854	0.7
157.10120	2.7
159.08029	0.7
165.12694	0.9
169.06422	0.8
173.06030	0.8
175.11185	3.4
179.41042	0.6
183.06633	0.8
193.12259	9.8
196.64418	0.7
197.05972	0.8
211.13304	7.7
225.05301	0.8
240.44969	0.6
267.15811	1.6
271.06015	100.0
272.06314	5.9
278.10007	0.7
285.07449	1.0
285.16956	6.7
287.05386	0.9
315.08704	1.5
361.02570	1.2
447.08768	2.8
447.22495	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38440	9.1
55.05502	13.8
55.48309	8.5
57.03430	46.4
62.26221	9.9
62.52900	10.0
63.43048	10.0
67.05502	62.0
69.03433	12.9
69.07063	16.6
70.13975	32.3
70.14374	18.2
71.85332	10.5
79.05511	68.7
81.03355	11.9
81.07052	49.6
85.06532	12.7
91.05427	83.0
93.07060	48.9
95.04968	14.7
95.08611	52.8
98.98458	67.7
105.07039	85.9
107.04967	18.4
107.08587	50.1
109.06514	23.5
109.10183	17.6
117.07006	49.4
119.08573	55.6
121.06452	13.3
121.10143	28.5
129.06992	21.1
131.08580	41.4
133.10133	30.3
135.11729	11.5
143.08572	15.3
145.10120	46.5
147.11690	23.6
149.02377	57.6
149.09625	11.2
155.08537	12.3
157.10143	24.6
159.11685	25.9
167.05595	11.0
167.28114	11.3
171.11754	11.6
173.02121	11.5
173.13298	26.0
185.13281	28.4
203.14333	16.0
219.17413	77.1
239.17938	20.7
257.19016	44.0
275.20090	100.0
331.22696	14.7
349.23795	98.9
361.02322	12.9
400.53201	11.7
447.29190	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	447.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.01856	2.8
55.05505	5.1
56.96558	1.9
57.03435	3.1
57.07067	3.3
59.40696	1.3
61.02927	3.9
65.03931	1.6
67.05495	13.8
69.03411	3.3
69.07056	6.8
69.33239	1.4
71.04980	3.5
73.02892	1.5
79.05496	17.5
80.05022	2.6
81.03408	6.9
81.05772	4.5
81.07049	16.1
83.04980	5.1
83.08612	6.1
85.02895	5.6
85.06505	1.9
91.05401	9.3
91.52080	1.6
93.07041	15.5
95.04958	7.0
95.08612	10.9
96.08131	13.3
97.02883	4.4
97.06512	3.4
97.10176	2.3
99.95091	1.4
103.05438	3.8
105.07028	10.3
106.06577	3.5
106.14595	1.7
107.04945	3.0
107.08598	8.7
109.06521	3.6
109.10162	9.6
111.04420	1.7
117.05768	2.1
117.07014	4.9
118.06550	15.0
119.07318	23.4
119.08581	5.2
120.08115	39.0
121.06509	3.7
121.08915	2.5
121.10122	3.8
123.11706	2.9
124.06707	3.5
124.07588	58.1
124.08490	3.8
125.07878	1.7
127.03949	2.5
128.06223	1.4
129.06975	2.4
131.08563	3.8
132.08057	2.1
133.05220	4.2
133.06279	1.5
133.10109	5.7
134.06030	3.2
135.08023	2.4
135.11708	3.6
137.06058	2.1
137.09657	2.6
139.03868	5.4
145.06493	2.4
145.10042	3.4
146.05995	14.9
147.06802	36.4
147.07899	2.3
147.11673	3.1
148.07564	57.6
149.02362	5.3
149.08328	4.9
149.09618	3.8
151.07542	2.8
151.11118	1.6
153.05464	2.3
153.12740	1.6
155.08553	1.9
157.10181	2.5
158.06020	2.2
159.11668	1.9
160.07581	4.6
161.09665	1.7
162.05508	6.2
167.05618	2.4
167.07069	2.4
169.10159	2.0
173.09662	1.7
176.07071	23.5
177.07719	3.3
177.12698	2.1
186.05397	3.6
188.07071	4.1
190.08582	1.7
201.10309	2.5
202.08627	2.1
204.06503	4.3
205.07118	1.9
205.12097	1.6
211.13251	2.1
216.06786	2.3
218.08134	1.5
229.13332	9.6
232.06110	11.0
234.07564	2.1
242.10510	3.0
243.11250	4.1
243.15010	3.5
256.11783	3.1
257.12839	100.0
258.07553	1.8
258.13165	4.8
267.09048	3.2
271.14410	28.6
272.15207	37.6
285.10141	4.9
294.09680	10.0
296.11362	3.8
306.09634	4.0
319.08444	2.5
322.09253	26.9
324.10770	24.2
325.11151	2.0
355.22589	3.0
411.28802	2.1
429.16513	3.0
429.30270	2.2
447.17676	16.6
447.27118	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	447.1437
Annotation	Longicaudatin
Peak:m/z	Relative Intensity
53.92605	0.5
57.44123	0.5
60.11034	0.6
65.55196	0.5
69.40491	2.4
69.40923	2.5
74.13223	0.6
75.22733	0.6
79.05482	0.8
81.07068	0.6
91.05429	0.6
93.07045	0.8
95.04987	1.2
103.05463	24.5
105.07028	1.3
107.04942	2.3
115.05460	0.6
118.04179	0.6
119.08559	0.6
131.04926	10.0
133.06508	0.8
147.04405	0.6
149.02312	2.9
149.05969	0.8
153.01784	1.3
159.08055	0.7
163.07549	2.8
164.08377	2.5
168.05701	1.2
170.02101	7.1
171.08017	0.9
183.08066	3.2
197.05959	0.6
199.07567	0.6
209.38673	0.7
211.07561	3.3
213.05486	1.7
214.06226	0.8
227.07030	0.9
229.08598	7.5
239.07050	1.3
240.07965	0.9
242.05768	2.7
248.44614	0.5
253.05011	1.8
255.06477	1.4
256.07413	1.0
267.06561	1.2
267.20401	0.5
269.04453	2.4
270.05301	2.7
283.06046	1.1
284.06842	3.1
285.07559	57.9
286.07968	1.7
294.05231	1.1
309.07562	13.6
338.92056	0.6
361.02158	0.6
389.10394	1.2
409.12000	0.6
410.37332	0.5
447.14371	100.0
448.14478	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	447.1286
Annotation	Sissotrine
Peak:m/z	Relative Intensity
54.44572	0.1
55.05500	0.4
56.96560	0.2
61.02920	0.2
65.54263	0.1
67.05486	0.5
68.99788	0.3
69.03423	0.4
69.07058	0.3
75.43710	0.2
79.05479	0.6
81.03405	0.4
81.07041	0.6
83.04973	0.2
85.02893	0.4
91.05472	0.4
93.07050	0.2
95.04971	0.3
95.08584	0.4
97.02900	0.2
103.05459	0.1
105.07018	0.7
107.04980	0.3
107.08562	0.4
109.10122	0.2
118.04147	1.2
119.08546	0.2
121.02861	0.3
121.06423	0.2
121.10158	0.2
123.04432	2.4
124.01557	1.3
129.07050	0.2
131.04919	0.3
133.06487	0.5
135.11662	0.2
139.03905	0.4
141.06987	0.2
149.01164	0.2
149.02332	2.7
152.01045	1.7
153.01831	1.7
158.03641	1.0
159.11711	0.2
163.03915	0.3
168.05696	0.2
169.06416	0.2
170.02109	4.4
175.11311	0.2
179.03424	0.7
183.07983	0.2
186.06738	0.3
187.07457	0.2
193.12196	0.2
197.05928	0.8
201.05661	0.2
211.07526	0.2
213.05470	1.9
214.06238	0.4
225.05528	0.3
229.08591	3.9
241.04939	0.6
242.05757	3.7
242.08241	0.2
252.04214	0.6
253.04974	3.2
257.08148	0.4
269.01544	0.2
269.04437	3.1
269.12457	0.3
270.05228	5.8
270.12592	0.2
285.07568	100.0
286.07950	3.4
329.58881	0.2
364.61322	0.2
428.49554	0.2
447.27841	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1286
Annotation	Sissotrine
Peak:m/z	Relative Intensity
51.33841	0.2
52.12338	0.2
52.79714	0.3
53.32237	0.2
55.75012	0.2
70.83720	0.7
73.02916	0.5
79.66659	0.2
80.11565	0.3
82.00556	0.5
107.04969	1.6
114.78859	0.2
121.06560	0.3
123.04416	1.0
133.06474	0.3
137.02313	0.5
149.02379	0.7
152.01031	0.3
153.01828	1.2
153.07092	0.3
168.05716	1.1
170.02107	7.2
183.08043	2.4
196.05125	0.6
197.05959	0.7
211.07561	2.7
213.05420	1.4
214.06308	0.8
221.85930	0.2
229.08577	6.1
239.07048	0.8
241.04994	0.7
242.05760	2.9
244.29868	0.2
253.04944	2.5
257.08282	0.3
267.06427	0.3
269.04404	2.7
270.05212	4.4
285.07562	100.0
286.04968	0.4
286.07880	3.9
301.07166	1.4
301.15668	0.4
303.04929	3.8
333.37674	0.2
464.24463	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71298	0.2
67.05471	0.2
71.58551	0.4
73.02921	0.5
74.72828	0.2
76.02217	0.3
85.02953	0.3
94.10331	0.2
95.08588	0.2
107.01373	0.3
107.04943	1.4
112.82559	0.2
115.56429	0.2
118.04132	0.5
121.02888	0.3
121.56895	0.2
123.04426	0.8
125.02371	0.2
133.06456	0.4
137.02312	0.4
144.05687	0.2
145.06555	0.2
147.04379	0.2
149.02318	0.8
150.88551	0.3
153.01834	1.4
153.06990	0.3
159.08337	0.4
160.05287	0.2
168.05724	0.8
170.02107	7.2
179.03360	0.3
183.08046	2.6
186.06775	0.5
196.05203	0.7
211.07594	2.5
213.05420	1.8
214.06180	0.6
224.04753	0.4
229.08611	7.0
239.07010	1.0
241.04948	0.5
242.05762	2.8
253.04968	1.6
257.04575	0.5
257.08029	0.3
267.06519	0.4
269.04443	2.7
270.05228	3.9
285.07568	100.0
286.04926	0.2
286.07919	3.7
301.07144	1.4
301.15817	0.6
303.04977	4.2
304.05252	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	447.1284
Annotation	Glycitin
Peak:m/z	Relative Intensity
51.88789	0.4
54.18710	0.3
69.03422	0.5
71.58241	0.6
81.07049	0.5
84.08128	0.3
85.02888	0.5
90.12109	0.3
91.05775	0.4
94.24983	0.3
97.67690	0.3
120.55149	0.3
123.04439	0.5
134.03647	3.5
137.01355	0.6
137.02330	6.9
139.03905	0.5
141.06947	0.6
147.04308	0.3
149.02336	0.9
169.06511	0.8
177.05556	0.3
181.06494	0.6
183.04361	0.4
185.06056	0.6
186.06805	0.4
189.05200	0.6
197.06000	2.1
213.05475	4.0
214.06276	3.8
225.05441	8.8
225.81599	0.4
226.05838	0.5
229.08557	1.7
242.05817	0.7
245.07072	0.3
250.08092	0.5
253.04953	7.5
257.07913	0.4
263.95453	0.4
268.13293	0.4
269.04483	2.8
270.05203	18.7
271.05759	0.9
285.07553	100.0
286.07886	4.9
303.04825	0.4
315.04910	0.9
327.04938	0.4
369.05872	0.4
447.09454	0.6
447.16040	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74213	0.2
57.03434	0.2
59.06116	0.2
69.03428	0.3
69.40773	1.0
69.41195	1.1
73.02920	0.5
78.27986	0.2
79.05482	0.3
81.03409	0.4
84.08143	0.5
85.02901	1.5
91.03970	0.3
91.05853	0.4
97.02885	0.3
98.20782	0.5
105.07086	0.2
111.04430	0.3
113.02393	0.2
119.95231	0.2
121.02853	1.1
127.03921	0.3
131.03467	0.3
136.34364	0.2
137.02316	1.5
141.01836	0.3
141.90422	0.2
149.02357	0.9
164.34790	0.2
168.13168	0.3
176.16513	0.2
193.12502	0.3
197.06007	0.4
213.05400	0.6
215.07019	0.3
239.11725	0.2
240.63264	0.2
241.35275	0.2
242.05733	16.7
243.06233	0.7
248.56540	0.2
253.04951	0.3
270.05234	38.2
271.05997	22.0
272.06332	1.2
285.07571	100.0
286.07932	4.0
387.77435	0.3
429.16425	0.2
447.13000	0.5
447.21582	0.5
473.03116	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1283
Annotation	Sissotrine
Peak:m/z	Relative Intensity
60.08808	0.5
67.05452	0.5
69.03423	0.7
69.71404	3.2
71.04997	0.5
79.05493	0.7
81.07029	0.8
85.02896	1.0
91.05806	1.4
93.06997	0.7
95.04958	0.5
97.02872	0.5
99.08698	0.5
105.06989	0.5
107.04947	1.1
122.69333	0.4
123.04424	0.7
137.05971	0.8
149.02321	1.5
153.01756	0.9
153.06952	0.6
167.05612	0.5
168.05710	1.1
170.02109	6.1
183.08061	2.5
196.05098	0.6
211.07553	2.0
213.05450	1.3
214.06451	0.6
216.76801	0.5
229.08609	6.1
239.06906	1.0
241.04964	0.6
242.05841	2.3
253.05037	2.6
269.04547	2.5
270.05276	3.4
285.07559	100.0
286.07806	3.1
361.02380	0.7
447.13419	0.9
447.25491	0.9
467.51282	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1285
Annotation	Glycitin
Peak:m/z	Relative Intensity
53.00301	0.3
53.03930	0.8
55.01844	0.3
55.05494	0.2
57.03438	1.6
57.88886	0.2
59.62254	0.2
61.02917	2.3
69.03426	7.3
71.01331	0.4
71.04984	0.7
71.58706	0.4
73.02906	0.9
81.03413	2.4
81.07018	0.4
85.02900	18.2
87.04460	1.2
91.03934	0.4
91.05399	1.3
95.04928	0.3
97.02290	0.3
97.02888	4.2
98.03184	0.2
99.04444	1.0
101.02328	0.4
103.03921	0.6
105.07035	0.3
106.59655	0.2
107.04955	0.6
109.02879	1.6
115.03912	0.3
119.04925	0.6
119.08482	0.2
123.04472	0.2
127.03911	4.0
129.09178	0.2
131.04910	0.5
133.02910	0.3
135.04367	0.5
141.06967	0.5
145.02824	1.1
145.04948	0.8
145.10025	0.3
149.02327	1.3
151.03951	0.3
153.07008	0.3
159.04411	1.0
163.03879	2.1
167.03400	5.2
168.05730	0.4
169.06470	0.6
179.03462	0.4
183.08044	0.7
186.06708	0.3
196.05208	0.3
197.05951	0.7
198.06779	0.2
201.09088	0.3
204.56941	0.3
211.07545	0.8
214.06229	1.0
224.04611	0.7
227.07068	0.3
229.08592	5.2
239.07042	0.9
242.05746	3.6
243.06149	0.2
252.04095	0.3
257.08130	2.4
267.06531	1.9
268.07153	0.4
269.04297	0.3
269.07986	0.5
270.05264	1.1
285.07550	100.0
286.07932	3.8
309.07547	1.3
321.76959	0.3
327.08545	3.1
328.08997	0.3
351.08475	0.5
447.11871	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	447.0916
Annotation	Apigenin 4'-glucuronide
Peak:m/z	Relative Intensity
51.12073	0.2
57.03429	0.7
61.02910	0.6
65.03931	0.4
65.29217	0.2
67.05511	0.5
68.99789	0.3
69.03409	0.6
69.07033	0.4
69.74043	1.4
70.06579	0.4
71.01338	0.9
73.02603	0.2
73.02924	2.0
77.79685	0.2
79.05476	0.6
81.03423	1.3
81.07042	0.5
83.01374	0.2
84.08145	0.4
85.02895	4.3
86.09699	0.4
88.32661	0.2
90.31160	0.2
91.03914	0.4
91.05477	0.7
93.07027	0.2
95.01332	0.7
95.04952	0.4
95.08597	0.3
97.02871	0.8
99.00806	0.4
100.21503	0.2
101.02375	0.5
103.03964	0.4
105.03378	0.6
105.07004	0.3
107.04942	0.6
109.02856	0.4
111.04440	0.5
113.02357	1.5
117.06966	0.3
119.08614	0.5
121.02864	5.2
123.04430	0.3
127.03889	0.4
129.06992	0.3
131.03395	1.3
131.04918	0.3
133.02850	0.6
133.10121	0.2
136.03656	0.2
137.02330	5.0
137.06050	0.3
139.03935	0.3
141.01840	0.6
141.06915	0.3
143.10367	0.2
147.04337	0.4
147.11716	0.3
149.02348	2.8
159.02864	0.7
167.03369	0.8
169.06509	0.8
173.05974	0.4
181.06522	0.3
187.07561	0.3
193.12244	0.8
197.05951	3.1
200.24278	0.3
203.03345	0.8
204.03749	0.4
211.13322	0.7
212.88997	0.3
215.07027	1.6
225.05466	1.0
227.07169	0.3
232.03198	0.2
239.98029	0.2
242.05754	5.2
243.06458	0.8
253.04800	0.3
262.07080	0.4
263.07208	0.4
270.05219	12.0
271.06003	100.0
272.06281	2.2
285.07574	29.6
286.07889	0.3
419.25763	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.8981
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96290	1.2
56.96563	16.9
57.07064	0.9
57.50736	0.6
58.75534	0.6
67.05503	1.2
71.40744	1.4
71.95271	2.0
79.05509	0.6
90.89153	0.5
91.05795	1.1
97.28062	0.5
98.97579	47.4
104.71825	0.7
116.98618	73.3
124.80788	0.7
134.99654	100.0
140.00211	4.8
149.02324	1.1
153.00705	31.7
158.01242	11.9
158.02441	0.8
159.01628	0.7
172.95297	0.8
176.02324	3.1
181.02884	0.9
206.92598	1.4
208.96362	0.8
224.93715	0.9
232.96437	0.7
248.93695	4.7
264.19406	0.6
266.94830	3.5
272.93600	10.8
274.97562	0.9
289.96457	1.0
290.94727	93.8
291.95145	1.2
292.98529	1.1
308.95792	38.7
313.96353	14.9
322.90540	1.6
326.96790	1.0
331.97308	6.5
354.99176	1.3
364.91599	2.8
380.89294	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	11.1
57.03455	7.4
57.18297	5.7
59.82786	5.9
60.04512	6.6
67.05499	8.8
69.03429	35.7
69.07065	20.4
70.06594	81.5
71.04987	14.1
71.58563	12.2
73.02911	7.9
73.19250	7.0
79.05514	7.3
81.03411	13.8
81.07057	10.2
83.04988	16.7
83.08601	8.6
84.04508	8.6
85.02908	56.2
86.06059	9.8
86.09709	39.3
87.04453	6.0
91.05794	24.1
93.07030	18.1
94.06544	7.8
95.08607	20.4
96.08132	9.7
97.02881	17.7
97.06557	14.0
98.06035	9.7
99.04460	8.6
100.07616	10.2
103.05473	10.5
105.06999	13.7
107.08617	12.3
108.08137	11.6
109.06530	8.4
109.10151	10.5
112.07610	19.7
112.09548	6.4
114.72363	5.7
119.08567	17.4
120.08055	6.6
121.06525	9.4
121.10155	23.9
122.05989	7.2
123.08082	29.5
124.07618	28.5
124.11249	17.9
127.03931	13.3
131.04948	25.3
133.10114	9.8
135.08049	13.7
135.11638	6.9
137.09615	10.6
139.03906	71.9
140.07118	12.6
142.12265	8.3
145.10121	6.8
147.11734	6.5
149.09651	15.6
153.09093	8.5
156.10226	8.5
158.08099	18.4
163.03940	12.5
163.07541	6.7
164.10675	6.0
167.05556	14.7
167.10719	32.3
167.11922	5.9
177.05457	11.6
183.14883	13.9
196.13364	14.6
204.13785	8.4
206.15359	7.8
207.13797	11.3
222.14778	8.6
248.16486	28.9
249.14925	8.1
252.12123	5.8
266.17505	100.0
284.18530	85.6
284.21429	8.7
289.07022	23.1
360.02893	14.7
428.22571	14.7
429.16861	7.4
446.23682	45.6
447.17050	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	446.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
65.54080	0.8
69.03418	1.0
69.47628	3.2
69.48057	4.1
70.06587	1.7
71.10827	0.7
85.02930	0.8
86.09715	2.7
91.05785	2.5
95.04947	1.0
96.43430	0.8
97.02885	1.2
98.21484	1.2
103.05460	40.2
107.08600	1.2
109.02864	0.8
127.03939	1.3
131.04924	100.0
139.03786	0.9
163.07538	52.1
167.05562	0.8
229.08408	0.8
231.59355	0.8
313.21848	1.0
342.46350	0.8
471.21643	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	1.5
57.90849	0.9
60.29431	0.8
69.03420	2.8
69.06362	1.1
69.87048	4.4
70.06583	2.0
72.08153	2.1
73.02915	1.4
73.04733	1.3
81.03419	3.5
81.07035	1.4
84.08137	2.2
85.02906	6.8
85.06537	1.2
86.09702	6.8
87.00817	1.5
87.10047	1.0
91.05861	4.7
93.07018	1.6
95.04961	1.1
97.02882	3.2
97.06512	1.0
98.20840	1.3
99.04425	1.8
103.05463	36.0
105.06975	1.2
107.04953	1.5
108.04546	1.2
109.02904	1.5
119.04921	1.3
127.03915	4.0
129.10220	2.0
131.04924	100.0
132.05249	1.5
136.07497	1.0
139.03918	1.7
147.04413	3.9
149.05968	0.9
153.01819	2.8
154.49510	0.9
161.05965	1.0
163.07539	50.8
167.01640	2.5
167.05670	2.3
167.07065	5.0
182.09381	2.7
185.70425	1.1
187.13788	0.9
193.03279	1.0
194.66943	1.0
196.02666	0.9
210.08821	4.1
243.07141	1.3
286.19870	0.9
360.02878	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	445.316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.3
55.01860	7.2
55.05509	59.6
57.03434	35.4
57.07076	35.2
59.04998	2.9
59.84939	2.2
66.06004	2.0
67.05502	66.1
68.17716	2.2
69.03427	3.9
69.07065	77.2
70.25732	10.6
71.04984	6.3
71.08627	27.2
73.06547	3.6
75.04469	7.7
79.05491	38.4
81.03442	3.4
81.07056	100.0
83.04980	7.6
83.08620	61.8
85.02888	3.1
85.06538	5.9
85.10183	12.2
91.05460	14.1
91.05869	6.6
92.92060	2.6
93.07041	47.3
95.04954	3.8
95.08602	85.3
95.34223	2.3
97.06534	22.4
97.10161	39.3
99.08076	4.4
101.06059	3.3
105.07034	17.6
107.04949	5.2
107.08591	30.6
109.10140	41.6
111.08072	10.2
111.11720	11.4
113.05981	3.1
115.07533	3.9
117.07010	6.4
119.08578	13.6
121.06544	2.6
121.10136	37.5
123.11702	17.6
125.09615	12.3
125.13304	3.4
128.06236	3.1
129.09117	4.1
131.07114	4.1
131.08551	11.6
133.10126	8.3
135.11664	29.5
137.13243	8.0
139.11160	9.9
143.08553	5.9
143.10759	2.8
145.10139	5.7
147.11685	7.8
149.13249	15.3
151.14847	3.0
153.12766	11.1
155.08578	4.9
157.12248	4.4
159.11684	4.1
161.13246	7.9
163.14827	12.1
165.12801	3.0
167.05550	3.9
167.14314	6.0
171.11685	2.8
171.13759	3.2
177.16380	8.1
177.62061	2.5
179.14305	4.3
181.15872	5.5
183.11546	2.5
187.14807	2.9
191.17899	2.9
219.13811	13.4
233.22530	20.9
243.20865	2.2
251.23697	25.9
261.22156	8.1
269.24786	2.7
279.23148	16.4
297.24231	3.9
315.25293	91.9
353.26974	35.6
359.02869	4.1
371.28018	42.6
427.30832	15.6
445.30951	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	445.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.0
55.01868	5.2
55.05516	23.6
57.03424	3.8
57.07071	1.6
61.77735	1.7
62.10910	1.6
65.03930	4.3
67.05508	66.1
67.05876	3.7
68.05860	2.0
68.56487	1.5
69.03433	2.4
69.07069	22.2
70.55215	2.1
70.55573	5.5
71.04979	4.1
73.06537	1.6
79.05494	58.6
81.03412	3.7
81.06579	3.3
81.07059	62.9
83.04979	4.3
83.08627	10.2
85.06525	2.5
91.05466	82.9
92.05801	1.9
93.07044	51.3
95.04972	15.0
95.08606	36.0
97.06548	7.7
97.10145	5.3
97.96481	1.3
99.08094	4.6
103.05457	3.2
105.04504	2.1
105.07033	68.2
106.23327	2.0
107.04948	8.7
107.08596	22.5
109.06513	9.2
109.10159	16.1
111.08107	4.2
113.00001	9.1
115.05451	5.9
116.06299	1.9
117.07021	41.4
119.08578	46.0
121.06506	6.8
121.10143	17.4
123.08082	4.6
128.06213	8.3
129.07013	27.7
130.07796	2.4
131.08565	54.2
133.06514	4.5
133.10130	25.0
135.08070	5.8
135.11656	7.9
137.09644	5.3
141.06967	9.9
142.07788	3.3
143.08566	24.5
145.06496	6.1
145.10117	32.2
147.08047	5.6
147.11691	8.0
149.09644	4.4
151.11192	2.3
155.08530	12.6
157.10135	14.6
159.08064	2.8
159.11693	13.3
161.09619	4.5
161.13263	5.4
165.09076	8.5
167.05684	2.5
167.08618	5.2
169.02650	9.5
169.10152	12.0
171.07983	2.1
171.11690	13.2
173.09595	2.8
173.13248	5.8
175.11125	2.6
175.14792	1.7
179.14459	3.5
181.10144	5.4
183.11702	6.4
185.13315	7.1
187.14835	4.4
195.11726	6.3
197.13309	5.9
199.11234	2.0
199.14824	4.4
201.12823	2.1
209.13251	4.4
211.14806	5.2
213.16461	2.9
215.14288	2.5
215.18024	2.3
217.15921	1.6
221.13263	1.6
223.14861	4.8
225.16299	1.9
229.16035	2.6
233.15385	2.1
235.14893	1.9
237.16386	2.4
241.15948	3.1
245.15332	2.5
247.17006	6.8
255.17468	3.0
259.16824	3.0
259.20724	1.5
261.18640	2.5
269.19000	2.6
273.18591	2.7
277.21780	1.6
294.53900	1.6
325.25378	3.4
335.23767	6.4
338.79877	1.6
343.26404	7.8
353.24741	22.5
359.03009	3.3
371.25714	23.6
389.26971	22.2
427.28394	4.3
445.29535	100.0
446.29776	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	445.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.9
53.03930	4.0
53.88385	1.0
55.01871	5.5
55.05513	23.6
55.19460	1.1
57.03428	5.1
57.07056	1.8
65.03934	4.4
67.05504	61.2
69.03426	2.3
69.06725	1.4
69.07072	19.7
71.04977	3.4
79.05491	52.7
81.03428	1.7
81.07055	47.9
83.04980	3.9
83.08620	11.1
85.02904	1.8
85.06536	3.7
91.05471	81.4
92.05801	1.2
93.06475	2.3
93.07044	47.3
95.04968	11.2
95.08607	34.8
95.09245	1.3
97.06516	5.3
97.10149	4.8
99.08075	1.6
103.05442	4.1
104.50882	1.2
105.07030	75.2
107.04950	5.1
107.08598	23.6
109.06484	6.0
109.10136	10.4
111.08054	2.6
115.05430	6.1
116.06240	2.3
117.07021	33.9
119.04897	2.1
119.08573	39.3
121.06521	5.5
121.10148	13.6
123.08040	3.7
123.11707	1.9
125.09583	1.4
128.06221	6.0
129.07002	21.5
130.07751	2.2
131.08559	57.8
133.06468	4.2
133.10129	21.2
135.08043	4.1
135.11700	6.3
137.09605	4.3
141.06993	9.0
142.07780	4.2
143.08548	24.4
144.09332	2.7
145.06471	5.3
145.10123	33.5
147.08060	5.8
147.11679	5.1
149.09604	3.9
149.13222	1.8
153.06889	1.4
154.07710	1.8
155.08549	15.8
157.06529	1.3
157.10118	14.6
159.08011	3.5
159.11685	12.8
161.09581	3.5
161.13243	3.9
167.08571	4.0
168.09340	1.7
169.10109	12.4
171.08060	2.3
171.11696	13.0
173.13266	5.9
175.11076	1.2
181.10120	6.6
183.11725	8.1
185.09724	1.9
185.13235	7.3
187.11200	2.2
187.14828	3.9
189.12804	1.5
193.10265	1.9
195.11739	6.7
197.13249	6.9
199.11305	1.9
199.14792	3.1
201.12737	1.6
203.14369	1.5
209.13289	5.3
211.14803	4.7
213.12671	2.7
214.44174	1.5
215.14261	3.3
217.15889	1.2
219.13797	1.2
223.14760	4.0
225.16351	2.5
227.14336	1.5
227.17944	1.8
229.15773	2.0
229.80186	1.7
231.17389	1.9
233.15349	3.2
237.16365	2.3
241.15840	2.6
243.17570	1.8
245.15276	2.2
247.17010	4.4
251.17999	1.6
255.17537	2.4
257.19019	1.7
259.16968	2.8
261.18457	4.2
269.19016	1.2
271.17087	2.3
273.18655	1.4
275.20105	1.6
287.19934	1.8
307.23950	2.7
325.25076	5.6
335.23706	8.4
343.26270	10.4
353.24759	28.6
359.02875	1.5
371.25812	29.5
389.26849	29.1
407.46323	1.3
417.30359	1.5
427.28177	5.3
445.29486	100.0
446.29819	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	445.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.1
55.01857	5.6
55.05259	2.3
55.05509	28.6
57.03422	5.6
57.07070	2.0
65.03948	4.4
67.05505	62.4
69.03442	2.8
69.06720	1.9
69.07066	19.5
71.04976	4.8
73.04739	1.6
79.05492	55.8
81.03405	2.6
81.07056	60.0
83.04985	4.9
83.08627	11.5
85.06535	2.8
91.05469	80.9
93.07041	56.7
95.04971	12.5
95.08606	36.0
97.06525	6.4
97.10169	5.4
103.05467	4.4
105.03396	6.0
105.04549	2.1
105.07031	71.5
107.04949	6.6
107.08595	22.8
109.06518	6.3
109.10152	10.9
111.08064	2.9
115.05447	5.1
117.07014	38.6
119.04961	1.5
119.08578	41.5
120.08864	1.5
120.25922	1.5
121.06462	8.9
121.10127	15.9
123.04421	1.4
123.08037	2.9
123.11686	2.7
125.09623	3.0
126.78568	1.5
128.06209	5.4
129.06998	24.7
131.08568	52.8
133.06485	5.5
133.10123	22.6
135.08052	6.5
135.11656	8.9
137.09590	2.7
141.06978	10.7
142.07758	3.1
143.08566	23.8
144.09378	1.7
145.06499	4.5
145.09047	2.5
145.10129	32.1
147.08052	4.6
147.11711	8.2
149.09598	4.4
151.11195	3.3
155.08577	10.5
157.10147	15.2
159.08006	2.1
159.11667	15.0
161.09669	2.6
161.13329	2.5
163.11256	1.5
167.05673	2.0
167.08521	4.1
169.10095	10.5
171.08141	2.0
171.11711	12.0
173.09596	2.3
173.13254	5.1
177.12776	2.3
181.10130	7.7
181.77003	1.5
183.11668	8.1
185.13298	7.5
187.11223	2.8
187.14862	5.0
189.12755	1.4
190.37711	1.5
194.11960	1.7
195.11705	4.4
197.13245	6.6
199.11290	3.0
199.14815	3.9
201.12788	3.3
201.16579	1.7
207.11754	1.8
209.13248	4.6
211.14774	4.0
213.12805	1.7
213.16469	2.2
215.14201	1.9
217.15941	2.1
219.13945	1.9
223.14879	4.5
223.86708	1.4
225.16428	3.8
227.14412	1.9
227.17841	2.0
229.15913	2.0
233.15385	3.6
237.16397	2.4
239.18135	1.5
241.15913	3.1
245.15416	1.9
247.17018	5.2
249.18686	1.4
259.16916	2.8
261.18561	2.0
268.59253	1.5
271.16885	1.5
273.18607	1.8
276.68280	1.6
287.19797	2.2
307.24152	1.9
325.25256	6.4
335.23700	8.8
343.26169	7.7
353.24765	24.6
354.25345	2.0
359.02579	1.8
371.25806	23.7
389.26862	22.6
427.28455	4.6
445.29492	100.0
446.29697	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	445.2946
Annotation	Foetidinol
Peak:m/z	Relative Intensity
57.07064	10.0
64.23363	6.8
65.26769	6.3
67.09629	6.1
69.07072	13.0
70.90397	20.1
70.97935	6.1
80.95090	5.8
96.65566	6.3
123.11671	15.0
137.05991	7.3
150.60405	6.7
153.33554	6.3
154.66690	7.0
165.05518	80.5
177.09094	17.8
219.10178	71.9
221.11699	34.0
229.05115	6.6
237.11194	100.0
287.16452	27.0
359.22125	17.6
445.20251	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	445.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.9
55.01877	3.7
55.05503	13.1
57.03438	15.8
57.07067	2.1
65.03926	2.4
67.05168	2.9
67.05502	31.2
69.07069	9.3
69.31055	19.4
71.04977	4.3
73.02889	2.1
73.04740	1.8
79.05063	2.7
79.05488	34.9
81.03407	6.4
81.07051	36.0
83.04987	5.0
83.08621	4.9
84.34155	1.6
85.06545	2.3
91.05414	34.4
93.07040	42.9
95.04954	5.8
95.08605	24.8
97.02885	3.2
97.06509	2.4
103.03950	2.4
105.07029	35.4
107.04952	2.5
107.08590	27.4
109.06509	2.3
109.10157	14.7
113.00013	100.0
117.07020	11.1
118.88371	1.7
119.08575	45.6
121.06462	2.7
121.10136	20.0
123.08112	3.6
123.11720	1.8
125.09621	2.8
128.06258	2.7
129.05446	5.8
129.07014	11.6
131.08563	26.2
133.10135	24.7
135.08069	2.8
135.11659	13.9
137.13297	2.3
140.49550	1.7
141.06990	2.3
143.08536	11.6
145.10133	17.7
147.11696	21.2
149.09644	2.9
149.13240	7.7
155.07030	3.4
155.08492	1.9
157.10080	9.1
158.45842	1.9
159.11671	12.9
161.13261	29.3
163.11192	2.5
163.14801	6.6
165.09128	5.1
167.05547	3.3
169.02596	12.5
169.10126	1.8
171.11653	13.4
173.13268	13.2
175.11156	4.5
175.14827	22.7
181.10060	2.8
185.13283	11.7
187.03683	15.3
187.14813	4.1
189.12749	2.4
199.14821	6.0
201.16487	1.8
213.16379	2.3
215.17986	7.5
217.19537	6.9
219.13518	1.9
231.21027	5.5
241.19504	52.4
243.21117	4.3
259.20532	38.8
315.23123	5.2
333.24216	91.7
334.24628	3.1
353.24652	2.2
359.03000	2.6
372.67249	1.9
406.04471	2.1
417.15201	5.8
427.22986	2.1
437.21820	1.9
445.29907	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	445.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.1
55.01873	2.5
55.05509	9.3
56.96561	1.5
57.03440	7.7
57.07061	2.4
65.03930	1.7
67.05505	23.7
69.03437	2.7
69.07071	7.7
71.04996	2.6
73.04721	2.0
73.94302	1.3
79.05496	19.1
81.03397	3.8
81.07056	25.7
81.34355	1.6
83.04981	2.4
83.08621	4.7
84.99150	1.3
85.06551	1.5
91.05409	22.9
93.07046	21.4
95.04987	4.2
95.08606	17.8
97.02881	1.7
97.06519	2.9
97.10176	1.8
99.08101	1.5
105.07034	25.2
107.08595	16.9
109.06521	2.3
109.10159	6.7
113.00021	100.0
115.05439	2.9
117.07034	12.3
119.08581	28.5
121.06510	2.5
121.10161	9.6
127.03888	1.6
129.05510	1.9
129.06990	8.5
131.01073	2.3
131.08565	17.7
133.10144	18.5
135.08043	2.4
135.11673	8.3
143.08562	5.8
145.10127	12.9
147.11697	19.7
149.13264	6.1
155.08594	1.9
157.10081	8.2
159.11731	10.8
161.09613	2.2
161.13254	20.1
163.14854	2.2
165.09169	4.0
167.05591	3.9
167.43141	1.4
169.02606	19.8
169.10098	2.1
171.11708	7.5
173.13245	5.3
175.14832	13.3
183.11771	2.0
185.13248	7.3
187.03677	13.3
187.14832	2.4
189.12712	2.2
197.13300	1.7
199.14879	3.6
213.16391	2.9
215.17972	4.0
217.19592	3.5
219.13731	2.0
231.21060	3.4
241.19524	24.8
259.20584	29.3
315.23239	2.8
325.80475	2.0
333.24194	36.4
353.24646	5.1
359.02902	5.3
371.25659	3.5
427.22272	4.8
445.29700	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	445.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01871	1.8
55.05517	3.2
55.63106	1.6
57.03434	4.4
65.03932	2.0
67.05494	10.9
69.03416	4.8
69.72990	11.9
71.04992	17.4
79.05502	10.7
81.03418	5.7
81.07043	14.0
83.08572	1.5
85.02897	4.0
85.06545	2.6
91.05399	13.0
93.07042	3.6
94.04194	4.4
95.04994	4.3
95.08603	3.5
95.95857	1.5
97.02884	7.0
97.06532	3.0
98.20823	2.5
105.07051	7.7
107.04942	14.0
107.08588	3.7
109.02906	3.1
109.06533	5.6
109.10159	3.8
111.04420	3.2
115.05475	4.5
116.06288	1.5
117.07027	3.4
119.08568	2.1
121.06505	1.7
121.10161	2.6
122.03658	10.0
122.99149	1.5
123.04399	2.1
123.11726	2.5
124.05226	1.6
125.05982	2.7
128.06215	5.2
129.07007	11.0
131.08554	14.9
133.10123	6.7
135.04399	2.5
137.05977	100.0
139.03903	2.0
141.06992	5.4
144.05702	7.3
145.06497	6.3
147.04433	2.7
149.06013	2.8
151.03896	3.8
151.07555	4.2
151.11169	2.6
153.05496	3.5
156.05698	32.1
157.06496	5.9
158.07253	3.0
159.08051	26.1
161.05980	2.9
163.03964	1.9
165.06924	2.0
167.05646	2.9
167.07045	33.1
169.06424	3.4
169.07712	2.8
172.05157	3.7
173.04552	2.5
173.05995	3.9
174.06705	3.9
175.07538	9.0
177.05518	5.4
178.07808	4.6
179.08556	1.8
181.04977	1.9
181.06396	2.0
184.05266	6.1
185.06061	2.1
185.47881	1.6
186.06732	4.3
187.07559	18.5
187.13292	3.9
189.07043	4.3
189.09038	4.3
190.06238	3.2
190.07802	3.5
191.07042	2.2
191.08646	3.6
193.08571	2.2
193.10150	3.9
194.07356	1.6
195.08070	2.0
197.08127	1.9
201.05481	1.9
201.14877	1.9
202.06255	11.6
202.07716	2.9
203.06958	3.1
203.08511	8.3
204.07779	2.8
205.06566	1.8
205.08580	5.9
206.07156	7.5
207.08139	4.6
210.06831	2.3
214.06116	1.8
215.06963	4.4
215.08633	5.6
217.06659	4.4
217.08591	93.9
218.07199	9.8
219.08044	9.1
219.10202	7.3
220.08755	1.9
221.09615	13.6
223.07469	5.7
226.06161	2.5
229.08632	2.4
231.08075	10.4
232.08868	5.8
233.06023	3.0
233.09628	11.2
234.06737	13.3
235.07491	11.6
236.08427	2.0
237.09169	4.2
238.09917	3.7
239.07008	5.3
241.08548	9.0
241.10812	2.1
243.08061	2.3
244.51222	2.1
246.06799	4.7
247.07483	7.2
247.09694	27.0
248.08298	6.2
249.09126	28.3
250.06265	3.3
250.09767	3.9
251.07042	9.1
251.10664	2.2
252.07840	5.5
255.06705	3.0
257.17529	10.7
259.07471	2.4
260.08350	7.1
261.05109	2.0
261.09094	19.9
262.06357	5.0
262.09891	2.6
263.07068	9.4
263.10721	4.7
264.07889	6.4
265.08612	6.9
266.09406	6.3
267.10004	2.9
269.08130	5.1
271.06003	2.5
275.07092	3.3
276.07849	3.2
277.08603	25.2
278.09317	13.0
279.06583	7.0
279.10138	4.6
280.07364	3.2
281.11670	12.6
283.09445	3.8
285.07657	10.7
288.07840	2.7
289.08533	7.2
290.09387	2.4
291.06839	3.7
291.09494	2.4
291.12561	19.0
292.07309	3.3
292.10757	3.2
293.08099	6.7
293.11716	14.0
294.08972	5.2
295.09625	5.9
297.07553	2.5
298.08292	2.0
299.09204	2.4
300.10077	8.5
301.10727	8.7
305.07999	2.4
306.08942	4.6
307.09573	10.0
309.11197	43.6
310.11740	3.1
311.09253	5.4
313.10715	5.4
321.10693	17.7
322.11945	2.8
323.09125	7.2
323.12598	1.9
325.10657	4.4
326.11505	29.0
327.12216	2.0
337.10767	2.7
338.11530	8.8
339.12311	3.7
340.13031	6.8
341.13803	24.0
343.11838	4.5
353.13843	46.9
354.14127	2.2
359.02844	4.6
371.14868	6.4
374.13416	3.6
383.15021	3.4
387.14520	3.4
391.29935	1.7
427.17334	5.8
445.18707	18.1
445.24084	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32000	1.2
53.03942	1.8
53.73918	1.1
54.26624	1.3
55.05497	1.3
65.03935	1.3
67.05495	3.1
69.03410	1.5
69.07067	1.4
69.56199	2.7
69.56612	6.9
71.05002	2.4
73.04726	1.4
78.04704	2.6
79.05503	8.0
80.70294	1.2
81.03380	2.3
81.07040	4.1
85.02921	1.8
86.09706	4.1
91.05372	3.1
91.05785	9.0
92.99236	1.4
93.07051	3.0
95.04961	4.3
95.08637	2.7
97.00204	1.1
97.02869	2.0
97.06535	1.3
103.05460	4.2
105.07044	12.5
107.04955	11.3
109.02866	1.6
115.05450	6.2
116.98620	1.5
117.07014	1.8
118.04130	2.0
119.04908	1.6
119.08556	2.8
121.06513	2.7
123.04434	10.9
124.05190	4.4
125.05995	1.7
127.03912	2.2
128.06212	3.5
129.07005	6.8
130.04124	3.2
131.04898	6.3
131.08487	1.5
132.05685	4.6
133.06490	7.8
133.10115	2.0
137.05946	4.8
140.04637	2.0
141.06990	3.3
144.05695	2.2
145.06468	2.4
147.04399	3.6
147.08031	5.0
151.03952	3.1
151.07553	2.1
152.04669	3.5
153.05431	4.6
155.04947	1.3
155.07028	4.1
156.05719	2.7
157.06485	2.3
159.08037	9.8
160.05188	3.3
161.05988	17.5
165.05411	1.4
167.05708	4.1
167.07034	100.0
171.08051	1.4
172.05214	2.9
175.07538	28.9
176.04694	1.3
177.05449	2.7
178.07683	2.2
179.07024	1.4
181.06549	1.2
184.05188	1.3
185.06041	1.4
187.07532	28.4
189.05437	1.7
189.06955	2.0
189.09085	4.3
189.91229	1.2
190.07813	2.9
191.07065	13.1
191.08598	2.2
192.07803	1.5
199.07538	12.5
202.07742	2.5
203.08553	4.9
205.06651	1.8
206.07259	4.4
207.08029	2.8
209.08072	3.8
215.08609	3.0
217.06555	1.9
217.08559	2.4
218.07207	5.7
219.08101	6.5
220.08763	1.8
221.09557	5.2
223.07458	2.5
225.04190	1.4
231.08037	6.4
232.08774	2.6
233.05934	2.2
233.09579	5.0
234.06764	4.9
235.07526	5.1
243.07973	2.3
245.06033	1.9
246.06740	5.4
247.07491	3.7
248.08388	2.1
249.09108	10.1
250.09877	2.4
251.07057	3.1
259.07535	4.2
260.08380	3.9
261.09067	9.1
262.06271	2.3
263.06967	6.4
264.07773	3.5
265.08554	4.2
266.09360	1.8
267.09909	1.7
274.06265	2.6
275.06998	2.1
276.07935	2.1
277.08618	10.5
278.09305	4.8
279.06454	2.6
279.09955	1.6
280.07260	1.5
281.11713	11.8
283.09781	1.7
288.07928	1.9
289.08585	7.5
290.09366	1.4
291.06482	5.6
291.10065	3.1
293.08325	2.9
293.11673	5.8
294.08801	3.2
295.09647	2.5
305.08078	4.3
306.08856	6.3
307.09808	5.7
309.11182	18.0
311.09210	2.0
319.09586	1.5
320.10568	2.8
321.11182	18.9
322.12009	2.8
323.09109	4.0
325.10794	2.0
325.14316	1.8
326.11502	16.4
337.10611	6.7
338.11435	11.9
339.12430	1.8
340.13004	12.7
341.13809	17.7
342.99857	1.4
352.13043	12.4
353.13846	21.2
359.02762	5.5
427.17398	4.7
427.23312	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32105	1.6
55.01860	1.7
67.05484	3.4
69.03426	2.5
69.07057	1.7
70.64598	3.4
71.04992	2.1
73.04755	2.6
78.04716	2.6
79.05476	7.6
81.03403	2.2
81.07054	4.0
83.08605	1.7
85.02895	2.3
86.09694	3.2
91.05378	2.8
91.05785	7.9
93.07023	3.3
95.04958	4.4
95.08601	2.7
103.05452	4.4
105.07030	11.0
107.04948	11.9
113.60700	1.5
115.05437	5.5
117.06998	2.2
119.04939	2.7
119.08575	4.1
121.06483	3.1
123.04423	10.1
124.05193	5.6
125.05959	1.8
127.03912	2.2
128.06206	5.6
129.07024	7.8
130.04037	2.0
131.04890	5.6
132.05698	5.1
133.06493	7.8
137.05948	4.2
140.04684	2.3
144.05659	1.5
145.06454	2.9
146.07275	1.4
147.04358	2.6
147.08026	4.6
151.03845	2.9
153.05461	5.0
155.04910	2.2
155.07056	3.1
156.05673	1.6
157.06503	1.9
159.08078	6.9
160.05220	2.5
161.05951	18.1
167.05704	3.8
167.07025	100.0
168.05725	2.2
171.08040	1.9
172.05161	4.2
173.06027	1.6
175.07552	24.0
176.04567	1.6
177.05423	3.5
178.07765	4.0
179.01378	1.5
179.07062	1.6
184.05151	1.6
187.07530	24.7
189.07108	2.4
189.09096	5.4
190.07793	3.9
191.07007	12.0
191.08548	3.5
199.07478	11.6
202.07758	3.8
203.08521	5.5
205.06509	2.3
206.07271	4.7
207.08118	3.6
209.08115	3.1
215.08443	2.6
217.08609	2.1
218.07233	4.6
219.07988	6.9
221.09607	4.4
223.07565	2.4
231.08029	5.4
232.08763	2.2
233.05992	2.0
233.09648	4.4
234.06754	3.7
235.07452	3.8
237.08900	1.8
241.10774	2.5
245.05983	3.4
246.06544	3.0
247.07527	3.9
248.08365	3.3
249.09145	9.4
250.09752	2.2
251.07045	3.1
259.07614	3.3
260.08307	2.0
261.09073	6.4
262.06165	1.7
262.09723	1.6
263.06985	6.0
265.08533	3.9
267.09940	1.9
274.05920	1.4
275.07083	1.7
276.07806	3.0
277.08649	8.5
278.09372	5.9
279.10266	2.3
280.07352	2.3
281.11740	10.3
283.09775	2.1
289.08585	7.3
290.09259	2.1
291.06537	5.1
291.10150	3.9
293.08109	2.8
293.11646	4.5
294.08817	4.2
295.09656	3.9
297.11191	1.8
305.07983	3.7
306.08896	6.3
307.09436	2.8
309.11160	17.0
311.08984	1.6
321.11224	19.9
323.09021	4.2
323.12723	2.0
325.14410	2.1
326.11469	15.2
337.10709	4.5
338.11441	9.9
339.12225	3.1
340.13052	12.6
341.13892	17.7
352.13086	13.9
353.13815	16.6
359.02798	7.6
427.17545	2.1
467.26669	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1833
Annotation	Aglacin D
Peak:m/z	Relative Intensity
63.86391	0.5
64.53416	0.4
67.05488	0.5
70.39257	1.3
73.04745	0.7
77.21127	0.4
91.05777	1.6
119.08562	0.5
151.03880	0.6
167.05591	0.8
245.07825	0.4
359.03067	0.9
445.18344	100.0
446.18466	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
55.01864	1.2
57.03434	1.4
59.55628	0.6
59.89248	0.7
61.02923	1.7
61.28845	0.5
65.03933	1.5
69.03432	9.4
69.07072	0.6
70.06588	4.2
71.04993	1.2
71.25937	0.6
71.31564	1.1
73.02912	1.8
73.04720	0.9
76.58945	0.5
78.03448	0.8
78.61934	0.5
79.04258	0.6
80.05016	0.9
81.03411	6.0
82.06581	0.8
84.39595	0.6
85.02901	9.6
85.06551	8.9
86.09713	2.9
87.00807	0.6
91.05847	3.8
92.04994	2.1
93.05790	2.9
94.06562	2.1
95.04948	0.8
97.02895	4.3
99.04453	2.1
101.02384	0.8
103.03957	0.7
106.02915	0.9
108.04511	0.8
108.06834	0.8
109.02880	4.8
110.06009	0.9
117.07051	0.6
119.05212	1.4
119.06071	29.0
120.04457	1.2
120.06840	1.4
121.02824	0.8
121.03989	1.0
121.06519	0.6
121.07645	1.0
122.06010	2.0
123.03207	0.9
123.06829	1.9
124.03947	1.0
127.03903	5.7
135.05516	1.1
136.06322	1.6
137.07108	5.5
145.04968	1.8
147.05534	23.2
148.03951	3.8
148.06314	100.0
149.07106	52.0
150.05479	1.2
151.08661	2.5
152.07091	0.9
163.11159	0.7
164.05785	4.1
165.06602	31.6
166.07417	6.4
167.05528	2.0
167.06876	0.7
177.05444	1.3
179.08160	81.6
180.08441	1.7
181.12254	0.8
183.14905	0.9
187.06058	1.8
191.10667	1.2
197.09219	61.4
198.09427	0.7
207.07785	1.0
209.11649	0.6
210.42441	0.6
220.55087	0.6
263.22079	0.7
265.17850	4.5
269.60510	0.6
295.06021	1.2
296.82446	0.7
306.13214	0.7
322.10941	0.7
325.07385	0.7
342.99988	0.9
359.02768	2.3
359.14487	12.2
401.15546	30.1
402.15897	1.4
403.96863	0.6
427.13474	1.6
445.14508	37.1
445.25977	3.4
446.05362	0.7
446.14740	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03742	0.3
53.03928	1.7
55.01872	1.7
55.05516	0.6
57.03429	0.6
61.02921	0.8
67.05499	1.8
68.99780	4.5
69.00118	0.4
69.03428	3.7
69.72150	2.4
71.05002	2.6
73.02927	0.8
79.05489	1.0
81.03418	4.5
81.07059	1.8
83.05008	0.4
85.02901	8.3
85.06541	1.0
87.00832	2.7
89.98001	0.3
91.05461	0.8
93.07016	1.7
95.04968	5.8
95.08608	1.1
97.02885	2.4
98.21432	0.5
99.04457	1.3
105.01897	2.2
105.07029	1.3
109.02888	4.0
109.06516	13.8
109.10168	0.4
110.06870	0.4
111.04439	0.5
111.08077	7.2
113.05997	9.3
115.05444	0.8
117.01851	0.4
123.04427	9.7
123.08053	1.8
127.03910	9.6
129.01790	0.6
133.06508	1.8
133.10144	0.4
137.05998	2.8
139.03896	0.7
145.04967	2.2
147.02950	0.4
151.07539	29.8
152.07860	0.7
153.01848	0.4
155.07031	1.5
155.16739	0.4
159.02870	2.3
161.05969	7.2
164.04668	0.7
179.07030	59.2
180.07402	1.4
180.59349	0.3
180.62111	0.4
187.13260	0.4
190.01337	0.4
197.08087	100.0
198.08392	2.0
203.06989	0.6
211.12651	0.3
212.09599	0.3
221.07986	0.8
231.05013	0.8
239.09167	0.5
257.17429	0.9
263.09128	0.6
287.09161	0.7
305.09991	0.4
384.65024	0.4
445.24030	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1127
Annotation	Rothindin
Peak:m/z	Relative Intensity
53.84106	0.2
54.90299	0.2
57.93194	0.2
70.92295	0.5
79.05443	0.2
81.07042	0.2
89.03899	0.4
91.05791	0.4
100.11230	0.2
110.06791	0.2
111.04450	0.2
129.06960	0.5
137.02359	0.3
141.06989	2.1
153.07025	0.2
155.04924	0.5
157.06328	0.2
167.05513	0.3
169.06470	2.5
181.06491	0.8
183.04405	2.2
197.05959	3.7
199.07487	0.2
209.05945	0.2
223.23210	0.2
224.04510	0.3
225.05455	23.1
226.05811	0.3
227.07005	1.6
247.13223	0.4
248.13710	0.3
253.04947	19.9
254.05124	0.3
255.06480	0.5
264.92365	0.2
270.53506	0.2
283.05994	100.0
284.06281	2.1
359.02716	0.3
393.18701	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	444.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.0
53.76635	1.8
55.01858	3.9
55.05508	3.4
56.05045	4.3
57.03434	8.7
59.96319	1.8
61.02923	9.9
62.71429	1.6
66.42778	1.9
67.05508	3.0
69.03429	29.1
69.07063	4.9
69.91663	12.1
70.06584	4.7
71.04999	4.9
73.02912	5.8
73.04751	4.0
74.06069	17.0
76.60389	2.2
79.05508	4.6
81.03424	13.1
81.07056	7.8
83.08595	3.0
84.04504	6.0
84.08139	3.7
85.02901	73.2
86.06057	6.8
86.09724	3.0
87.04472	6.3
91.03951	4.6
91.05838	11.4
93.07040	7.7
95.01344	4.9
95.08614	6.2
97.02891	29.5
99.04459	4.2
99.08093	7.0
105.07038	11.4
107.08588	17.0
109.02875	9.2
109.10177	7.1
117.07036	2.1
119.08581	10.3
120.08105	2.6
121.06544	2.4
121.10162	26.4
123.04441	2.0
123.08083	2.1
123.11677	3.7
124.04731	2.2
125.09673	2.5
127.03918	20.6
129.06992	2.4
131.08583	7.5
133.10136	29.3
134.09660	3.3
135.08018	4.4
135.11710	7.5
136.07593	4.6
136.11150	2.6
137.09631	4.9
137.13261	3.6
141.01839	15.2
145.04953	18.0
145.06577	2.3
145.10107	5.4
147.11658	4.9
148.11208	15.2
149.09642	15.5
149.13284	4.7
150.12805	3.5
151.11209	5.6
153.01894	3.9
159.02844	2.5
160.11201	6.4
161.11971	2.1
162.12825	4.7
163.06036	6.3
163.13554	3.2
163.14812	19.4
164.10718	2.6
165.12753	5.7
166.12341	2.6
167.05568	4.7
173.13231	11.7
174.12759	4.6
176.14371	3.4
177.05537	2.1
178.12248	3.1
188.14304	3.0
189.15138	5.1
190.12236	3.1
191.13052	3.9
191.14349	13.0
192.13863	6.9
204.13805	14.1
206.15417	24.6
209.15363	39.4
219.16306	2.5
220.16963	15.4
246.18517	29.9
248.20087	6.3
264.12387	2.3
264.19580	95.9
282.20630	100.0
288.39624	2.1
350.06448	2.1
359.02850	7.5
426.24915	24.8
444.25919	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
55.01860	3.2
56.05013	2.1
57.03444	7.8
58.63356	1.3
61.02938	7.6
66.77088	1.6
69.03127	1.8
69.03435	19.2
69.07075	2.5
69.49800	1.4
70.06587	4.8
71.04988	2.9
71.15826	2.4
71.16158	2.3
72.08136	2.1
73.02910	7.8
73.04742	1.5
74.06081	4.8
81.03415	8.5
81.07044	2.3
84.04498	2.9
84.08129	2.1
85.02906	100.0
86.09700	4.3
87.04469	4.7
89.84686	1.8
91.03965	6.1
91.05830	17.3
93.07031	3.1
93.26764	1.6
95.01331	18.1
95.08616	2.9
97.02891	28.8
99.00838	1.8
99.04436	4.2
99.08088	3.9
101.02377	2.2
103.03934	3.3
107.04922	1.6
107.08575	4.3
108.08131	1.6
109.02888	7.9
109.10164	3.4
113.02380	2.5
117.41698	1.6
120.08118	4.5
121.10165	8.1
122.06030	2.6
123.00759	2.0
123.04458	3.4
127.03918	28.3
131.03409	1.7
131.08615	2.4
132.10229	1.9
133.10110	7.5
135.11723	3.1
136.07588	3.7
137.06004	1.8
138.09131	4.0
139.03902	2.0
141.01830	53.5
145.04958	51.9
145.10173	1.7
147.04430	2.6
148.11206	3.4
149.09605	5.7
153.01831	2.3
156.10184	3.1
159.02835	10.2
159.08167	1.6
163.06035	20.3
163.14809	4.4
167.05562	5.3
167.06912	1.9
173.13222	1.8
177.03990	2.7
177.05505	3.4
191.14336	3.5
204.13908	2.3
206.15369	7.9
209.15352	9.7
220.17050	5.7
225.04240	2.0
231.75916	2.1
246.18518	9.0
264.19550	24.6
282.20627	28.2
306.13470	2.2
321.08359	1.9
359.02853	6.0
379.27145	2.0
426.24701	5.8
444.20197	3.3
444.25943	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	443.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11625	0.6
61.03444	0.6
63.26113	0.8
70.65594	1.8
78.44241	0.7
81.07056	0.5
87.04467	0.8
95.08607	0.7
103.29099	0.6
141.35989	0.6
345.45743	0.6
443.33456	100.0
444.33740	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	444.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.2
55.53236	1.0
61.02913	1.2
67.05495	3.2
69.03426	1.8
69.07069	1.9
69.42603	8.8
79.05486	2.4
81.03439	1.5
81.07062	2.1
85.02886	2.1
86.09750	1.2
91.05804	3.0
93.07051	2.3
95.08617	2.3
97.02922	1.8
97.06510	1.7
98.07325	1.0
105.07016	2.2
107.08559	1.1
117.07071	1.3
119.08489	1.1
121.06459	1.5
121.10118	1.4
122.09578	0.9
122.10467	1.5
129.06950	1.4
131.08514	1.2
132.17503	0.9
135.11685	1.0
139.03885	1.3
140.04965	4.0
141.06949	1.2
143.08546	1.8
154.06459	2.3
155.06029	24.4
159.08115	1.3
165.09100	5.0
166.09491	1.2
167.06012	5.6
168.06929	2.7
169.07607	40.0
170.06003	3.1
179.06029	14.1
181.05161	1.3
181.07642	3.0
182.06029	2.3
182.08408	2.0
183.05521	22.4
183.09177	2.2
184.07713	1.3
185.07104	11.9
193.07587	13.6
194.06065	2.4
195.05531	25.0
195.07210	1.8
196.06319	15.9
197.07097	31.5
198.05457	6.8
199.05058	1.1
201.06610	1.8
207.05498	7.2
208.06374	2.0
208.85632	0.9
209.07143	3.1
210.07974	2.6
211.05135	2.3
211.08701	6.7
213.06583	27.7
214.07047	1.3
221.07098	23.7
223.05002	2.6
225.06569	51.5
226.07011	1.7
227.08202	1.4
229.06076	25.4
237.06609	6.3
238.07349	5.0
239.04475	3.4
239.08134	27.9
241.06085	5.3
243.07657	8.3
249.06602	10.7
253.06120	4.3
255.07623	1.7
256.08395	1.2
257.05566	7.2
265.06100	2.9
266.06784	1.3
267.07626	21.7
268.87115	1.0
269.05444	4.4
271.07111	37.9
272.07458	1.7
277.06039	13.3
283.07129	2.3
285.08646	29.2
295.07111	41.9
312.09775	1.5
313.08170	36.5
331.09268	9.0
338.14905	5.4
352.23517	1.6
362.14938	0.9
380.16080	14.5
384.15521	52.5
385.15955	1.3
398.17114	33.7
408.15558	1.7
426.16574	49.1
427.16879	2.1
444.17685	100.0
444.27957	7.9
445.17993	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07053	1.6
53.03941	4.1
55.01865	6.1
55.05510	21.5
56.96546	3.0
57.03423	5.7
57.05860	1.8
65.03931	4.2
67.05505	47.9
69.07071	18.1
71.04987	3.6
71.59338	1.6
71.59707	2.2
71.79666	1.7
79.05489	37.1
81.03413	3.8
81.06582	2.9
81.07056	45.0
83.04983	4.6
83.08619	13.1
85.02934	2.9
85.06539	3.5
91.05481	53.8
93.07044	32.3
95.04955	12.3
95.08605	22.2
97.06530	9.2
97.10188	3.6
103.05484	5.5
105.07029	38.9
107.04945	6.4
107.08603	17.8
109.06510	7.6
109.10149	16.1
111.08098	4.0
115.05450	6.4
116.06210	2.4
117.07023	31.3
119.08584	23.5
121.06520	8.0
121.10123	9.3
123.04401	7.1
123.08050	4.1
123.11729	4.0
125.05971	1.7
128.06213	15.4
129.07001	44.3
130.07697	2.9
131.04877	1.8
131.08565	41.4
133.06487	10.7
133.10156	13.2
135.08031	8.5
135.11710	5.9
137.05962	2.9
137.09612	9.1
139.03926	5.2
140.31885	1.6
141.06987	16.0
142.07764	5.2
143.08568	34.2
143.09677	2.2
144.46030	2.2
145.06488	8.7
145.10110	17.6
147.08060	4.3
147.11659	5.4
149.09608	5.4
149.13303	2.3
151.03970	2.2
151.07568	3.1
151.11258	2.2
153.01808	2.4
153.07005	4.0
154.07785	3.8
155.08546	22.2
156.09331	2.7
157.06520	2.3
157.10106	18.7
159.08095	5.2
159.11745	8.6
161.09651	4.3
161.13319	2.2
163.11238	3.3
165.07013	4.1
165.09106	44.6
166.07803	3.4
167.07304	2.3
167.08527	12.1
168.09383	2.0
169.10101	17.8
171.08060	3.5
171.11665	10.3
173.09706	2.4
173.13286	3.9
175.11169	3.5
177.09079	3.0
177.12675	2.7
179.08511	3.6
181.10069	10.6
182.10953	2.1
183.11693	13.0
185.09569	2.9
185.13167	8.6
187.11171	3.9
187.14853	3.5
189.12730	1.9
193.10161	7.2
195.11694	11.7
197.09644	2.0
197.13286	7.8
199.11099	3.1
199.14920	2.8
201.12653	2.0
203.14442	2.1
205.12231	2.8
207.11769	8.2
209.13293	7.4
211.11177	4.6
211.14832	4.2
213.12732	8.8
215.14319	2.9
217.16031	2.9
219.11746	2.6
221.13289	5.3
223.14748	5.2
225.12752	4.3
225.16452	3.3
227.14435	3.9
229.15836	2.2
231.13977	2.0
235.14900	4.8
239.14377	2.8
241.15909	2.4
245.15378	3.0
253.15913	6.2
257.15442	2.5
267.17734	2.6
271.16876	3.6
285.18604	3.0
315.20950	2.9
323.23746	5.4
333.22144	12.1
341.24826	6.3
351.23242	34.7
369.24231	39.9
370.24921	2.4
387.25412	16.8
407.25757	2.4
425.26804	6.6
443.27942	100.0
444.28241	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	443.279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	2.1
53.03939	4.5
55.01868	5.2
55.05512	19.7
56.96586	1.9
57.03430	4.2
57.07068	2.6
65.03947	3.3
67.05170	3.1
67.05507	40.7
69.03426	4.1
69.07061	16.5
69.36988	19.2
71.05002	2.9
73.02901	2.3
79.05064	2.6
79.05495	37.9
81.03400	2.2
81.07059	38.9
83.04983	3.9
83.08622	10.1
85.02900	2.1
85.06535	3.5
91.05479	50.4
93.07037	30.6
95.04966	9.9
95.08601	27.3
97.06522	6.4
97.10157	3.9
103.05466	2.0
105.07026	36.7
107.04969	6.0
107.08596	15.6
109.02852	1.7
109.06487	8.6
109.10175	13.2
111.08127	1.8
115.05450	7.0
117.07018	31.4
119.04937	2.1
119.08582	19.4
121.06497	8.0
121.10118	10.5
123.04430	8.0
123.08093	3.8
125.09623	4.1
128.06244	10.9
129.07007	40.7
130.07773	3.5
131.04897	3.5
131.08574	37.7
133.06471	4.5
133.10117	12.8
135.08070	5.3
135.11707	3.9
137.09621	7.4
139.03963	3.5
141.06973	15.1
142.07799	4.4
143.08568	34.2
144.09341	2.2
145.06453	10.8
145.10115	20.9
147.08049	8.6
147.11694	5.5
149.09628	4.6
149.13223	2.6
151.07649	2.4
153.01831	3.2
153.07013	3.6
154.07822	2.1
155.08565	23.7
156.09340	2.2
157.06473	4.2
157.10136	21.0
159.08061	4.8
159.11685	8.6
161.09621	2.8
161.13316	2.0
165.06984	5.7
165.09129	36.6
166.07735	2.0
167.08571	15.1
169.10120	16.3
171.11673	11.9
173.09647	4.0
173.13226	4.7
175.11194	3.9
178.07918	2.3
179.08582	7.2
179.10638	1.9
181.10188	12.0
183.11699	14.3
185.09596	2.7
185.13297	8.7
187.14835	2.1
193.10114	5.7
195.11732	13.5
197.13312	7.1
199.11203	2.8
199.14819	3.5
201.12753	3.6
205.10303	2.2
205.12277	2.5
207.11748	5.4
209.13286	9.0
211.11200	4.0
211.14799	4.3
213.12776	6.1
213.16373	2.5
215.14331	2.1
219.11592	2.2
221.13281	8.2
223.14833	6.1
225.12849	2.6
225.16461	2.2
227.14403	2.6
231.13753	2.2
235.14877	5.9
237.12825	1.8
237.16359	2.0
239.14258	4.5
241.15909	3.1
243.13820	2.4
245.15421	3.5
247.14685	2.5
249.16301	2.2
253.15987	3.9
259.16858	2.7
267.17313	1.8
271.16882	2.2
312.07120	1.7
323.23538	6.3
333.22073	9.0
341.24783	6.7
345.20651	2.4
351.23148	31.6
369.24268	47.6
370.24606	3.4
387.25339	12.8
425.26788	4.9
443.11374	5.8
443.27939	100.0
444.28149	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	443.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.1
55.01859	3.9
55.05267	1.7
55.05511	18.2
56.96557	1.9
57.03432	4.4
57.04125	1.4
61.02961	1.7
65.03942	3.7
67.05172	2.7
67.05508	45.1
69.03426	2.3
69.07070	17.6
69.41736	13.9
71.04982	4.1
72.80703	1.7
74.34487	1.6
79.05492	36.4
81.03438	2.0
81.07054	38.7
83.04980	5.5
83.08628	8.7
85.06550	2.0
91.05478	53.8
93.07045	30.8
95.04974	9.4
95.08606	24.5
97.06535	8.3
97.10173	3.5
98.21528	3.8
103.05458	2.2
105.04514	1.7
105.07026	35.2
107.04944	5.6
107.08606	12.7
109.06508	6.3
109.10144	12.7
111.08128	2.3
115.05476	8.0
117.07009	30.6
119.04936	2.5
119.08578	23.0
121.06524	6.8
121.10155	12.0
123.04397	4.0
123.08069	5.7
123.11723	2.3
125.09650	3.5
127.07533	1.8
128.06223	13.9
129.07005	41.3
130.07771	2.7
131.04932	2.6
131.08566	39.6
133.06485	7.3
133.10167	13.9
135.08089	5.9
135.11696	4.3
137.09648	7.8
139.03897	4.6
139.11125	1.8
141.06981	17.3
142.07756	6.7
143.08553	38.4
143.09685	2.0
145.06445	7.1
145.10124	20.1
147.08023	7.3
147.11694	5.6
149.09618	5.6
149.13124	2.5
151.07550	4.0
151.11154	2.4
153.06949	4.4
153.23674	1.7
154.07709	2.2
155.08548	27.1
156.09384	2.4
157.06558	3.1
157.10129	19.1
159.08057	4.8
159.11713	7.6
161.09616	4.9
161.13277	2.5
163.11179	3.0
165.06996	5.2
165.09113	25.7
166.07741	3.2
167.08545	14.2
167.41162	2.0
168.09227	2.8
169.10141	19.9
171.08034	4.2
171.11664	12.0
173.09683	4.5
173.13245	2.9
177.12822	2.3
179.08611	6.1
180.09308	2.4
181.10109	15.8
183.08063	2.9
183.11696	11.3
185.09666	3.6
185.13239	7.5
187.14818	2.4
193.10144	5.7
194.55678	1.7
195.11659	10.1
197.09410	2.9
197.13188	8.0
199.11244	2.9
199.14857	5.7
201.12700	3.2
205.12175	2.2
206.10951	2.0
207.11633	6.5
209.13181	9.1
211.11217	2.5
211.14822	5.2
213.12746	8.9
213.16216	2.5
215.14333	2.0
221.13226	4.5
221.15237	2.6
222.88074	1.7
223.14915	7.0
225.12820	4.1
225.16315	1.7
227.14232	3.0
233.13306	2.1
235.14929	4.0
239.14436	7.8
241.15842	2.8
245.15468	2.5
249.16315	2.9
253.15907	4.6
256.18213	1.8
257.15378	3.0
269.10776	2.4
269.15335	2.6
271.16870	6.2
287.11682	2.2
315.21094	2.5
323.20215	2.5
323.23737	7.2
333.22052	13.3
341.24765	9.0
351.23175	31.7
351.27158	2.9
352.23517	1.9
369.24219	40.9
369.28522	3.5
370.24670	2.9
387.25299	13.8
421.14960	1.7
425.26709	4.0
443.27917	100.0
444.28265	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.8
55.01873	7.7
55.05510	27.1
57.03435	21.3
57.07072	5.2
61.02922	27.6
65.03915	3.8
67.05173	4.6
67.05502	63.9
67.88450	3.1
69.03429	32.3
69.07064	24.9
69.99047	15.8
71.04991	6.7
73.02901	13.4
77.03948	4.2
79.05067	4.8
79.05489	70.1
81.03414	28.1
81.07055	58.9
83.04968	19.8
83.08596	10.9
85.02912	38.2
85.06542	6.0
86.06073	6.1
88.03981	4.7
91.03941	11.1
91.05476	73.8
93.07040	75.6
93.37691	3.0
95.04959	29.2
95.08611	35.7
97.02887	32.0
97.06524	10.8
97.10172	5.2
98.20836	4.3
98.97549	3.1
99.04449	6.4
101.02378	6.0
103.03959	8.9
103.05452	5.3
105.07027	58.9
107.04935	12.0
107.08610	25.2
109.02876	10.4
109.06538	10.7
109.10159	16.9
111.08068	4.3
113.00037	3.9
116.10729	8.4
117.07004	16.8
119.04946	3.5
119.08581	37.8
121.06489	10.1
121.10119	17.8
123.04407	12.2
123.08092	10.7
125.06014	5.9
125.09641	5.5
127.03882	16.9
127.07516	3.4
128.06227	6.9
129.06987	21.5
131.08569	18.1
131.56960	3.4
133.06427	3.3
133.10091	17.8
135.08047	9.4
135.11630	6.4
135.59491	3.9
137.05956	4.9
137.09637	17.3
137.13252	3.9
139.03883	12.6
141.06943	4.3
143.08530	18.9
145.04988	3.3
145.06464	7.3
145.10115	21.6
147.04427	6.4
147.08035	5.1
147.11699	42.1
149.09615	8.6
151.03850	5.1
151.07530	9.0
155.08537	9.2
157.10088	7.3
159.08066	5.4
159.11707	7.7
161.09618	5.8
161.13242	13.2
165.09106	100.0
167.07022	4.0
169.10136	5.3
171.08061	3.7
171.11678	31.3
173.09589	3.9
173.13177	4.4
175.07507	4.0
177.09090	3.3
179.14352	3.6
183.11797	3.6
185.13188	5.5
189.12730	16.1
191.10651	3.5
193.08586	3.8
205.12241	5.9
207.06503	6.0
207.13800	29.5
273.07541	4.0
281.17453	46.4
287.16409	8.0
349.69846	3.8
351.23389	4.4
425.26648	6.6
443.22064	5.1
443.27435	26.2
469.24344	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	443.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03453	1.3
55.01871	6.8
56.05033	15.9
58.06589	1.3
58.22413	1.1
61.32945	0.9
66.42751	1.0
69.03411	2.8
69.70618	7.8
70.06583	3.0
72.04499	1.1
72.08151	1.7
74.06067	2.1
77.60188	1.1
80.22858	0.9
81.04520	4.1
82.05311	1.5
82.06586	5.1
84.04514	1.4
85.02909	2.3
86.06042	2.4
87.09215	2.3
96.04490	4.7
96.08125	9.4
97.02898	12.5
97.07631	2.1
98.06059	5.3
100.07579	1.3
101.43344	1.2
102.05544	10.1
107.04958	1.9
110.06036	24.4
113.07104	3.1
114.05532	1.3
115.08689	100.0
115.40465	1.1
116.09052	1.4
122.06110	2.1
122.07157	15.0
123.07941	13.3
124.03943	4.7
124.07588	21.3
125.06056	0.9
125.07111	4.2
128.07085	12.5
130.04968	1.5
133.09723	39.9
135.04355	1.3
136.06181	9.9
136.07573	2.3
139.03903	6.7
139.08629	2.2
142.08629	2.8
143.08153	2.8
144.06532	2.9
147.04427	3.2
148.04768	2.8
151.08698	1.9
152.07051	29.6
153.05496	1.3
154.08636	1.1
156.06558	1.8
159.07648	2.3
162.04123	1.5
163.03836	2.0
169.09731	3.5
170.08121	41.5
171.07582	9.9
179.08168	1.9
180.06512	2.4
182.12932	3.6
183.11276	9.4
193.09708	11.8
195.11183	1.1
198.07617	9.5
207.11324	1.6
210.12408	3.6
211.10788	4.2
212.09143	6.7
215.10283	2.8
225.08636	5.3
228.13362	2.7
229.11821	15.7
237.02756	1.1
238.11931	1.9
243.09726	5.4
246.14558	2.8
248.13983	2.5
256.12976	9.2
257.04501	1.5
257.11127	2.3
266.15073	9.2
267.13391	1.3
271.12851	2.5
274.13971	52.0
275.14059	1.5
281.10751	10.5
284.15887	7.8
287.05399	1.8
302.17123	25.7
380.18057	2.9
398.19266	5.9
407.19330	1.2
415.21991	1.9
425.14685	2.2
425.20313	28.7
443.15829	8.3
443.21344	72.4
444.21756	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	443.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25124	2.9
53.03943	12.0
55.05499	11.0
57.03436	7.4
57.07060	4.0
67.05501	4.2
69.03431	37.7
69.07072	44.0
70.70550	5.6
70.70876	6.0
71.05003	7.1
76.63300	3.1
79.05479	5.1
81.03424	52.3
81.07046	8.2
82.18182	2.6
83.08617	4.1
85.02895	35.4
86.03239	4.4
87.00816	12.5
91.16929	2.6
93.07037	6.2
95.08601	8.5
97.02886	8.1
97.06536	2.6
97.10165	5.7
99.04452	18.9
104.90951	2.8
105.01834	3.8
105.07018	3.5
107.08548	4.6
109.02872	42.9
109.10147	3.8
111.08041	3.9
111.11712	5.9
121.10132	6.3
123.04412	5.9
127.03914	100.0
128.04239	3.0
135.11662	3.4
138.29861	3.4
139.03906	8.8
139.11186	6.7
145.04947	4.6
153.01799	6.5
167.07033	4.2
195.17427	5.5
213.03928	33.3
231.05034	7.1
278.48730	3.0
443.22870	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	443.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65916	2.4
61.02939	2.6
70.66922	6.9
70.67255	2.8
71.34209	2.4
85.02908	4.9
97.02892	3.4
111.04440	4.0
123.04429	72.3
132.06560	2.8
135.08041	13.5
139.03902	100.0
143.03401	2.6
147.04378	6.4
151.03914	10.1
153.01833	33.6
163.07660	2.6
165.05551	5.4
193.05099	3.4
215.10674	4.5
233.11789	7.9
245.11760	5.4
263.12814	6.2
273.07581	6.0
291.08548	5.2
387.48282	2.8
451.16302	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	443.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35215	4.2
53.03931	6.7
55.01861	11.9
55.05502	6.8
57.03431	7.0
61.02925	6.5
67.05502	22.9
69.03420	17.1
69.07050	14.2
69.47350	38.4
73.02921	4.7
79.05485	27.1
81.03406	7.2
81.07050	33.4
83.04964	11.3
84.08131	21.2
85.02905	11.5
91.05480	31.3
93.07052	18.0
95.04962	15.2
95.08626	21.3
97.02868	11.5
97.06504	12.9
98.21514	7.4
103.03954	8.1
103.05463	10.1
105.07021	37.9
107.04962	33.9
107.08606	12.2
109.02876	6.9
109.06522	5.3
109.10142	15.7
110.88128	4.5
111.04438	9.7
115.05479	17.5
117.07034	9.2
118.04190	4.4
119.04952	7.0
119.08568	18.8
121.06479	11.2
121.10187	11.7
122.03569	4.7
123.04442	28.2
123.08130	5.4
125.06007	8.9
127.03905	8.5
129.07024	14.0
130.07755	5.1
131.04938	11.1
131.08542	12.0
133.06479	51.3
133.10138	11.9
135.08078	13.6
137.05983	51.5
137.09645	10.2
139.03909	27.3
139.07570	7.8
141.07025	4.9
143.08574	7.4
144.05746	7.0
145.06488	15.4
145.10146	14.6
147.04416	19.1
147.08041	11.9
147.11688	9.1
148.05234	12.1
149.05966	9.6
149.09637	9.0
151.03889	9.4
151.07549	12.9
153.01837	7.6
157.06523	5.5
157.10126	12.2
158.07130	5.2
159.08116	23.4
159.11674	11.3
161.05972	74.2
162.06772	4.9
163.03874	32.0
163.07567	18.7
165.06921	5.9
165.09119	65.1
167.07043	44.7
168.05734	6.4
169.10162	6.2
171.04366	5.5
171.08113	8.3
172.05209	9.2
173.06024	9.0
173.09622	6.9
173.13271	7.9
175.03909	7.2
175.07510	31.7
177.05518	8.0
177.09081	7.1
178.06239	81.2
179.06723	6.8
181.08582	10.4
183.08070	5.4
185.05969	49.6
185.13277	4.7
186.06657	9.6
187.07574	20.0
189.05510	7.2
190.06241	6.0
191.07028	10.5
193.08635	56.4
195.08069	5.7
198.06645	6.2
199.07515	27.7
201.05545	7.8
201.09091	23.2
202.06276	10.8
203.06993	11.3
205.08565	8.7
207.06555	7.2
214.06229	40.6
215.07039	5.2
215.10713	6.1
217.08623	6.1
227.07024	8.2
228.07870	6.9
229.08521	29.1
243.10291	6.1
252.07835	6.7
253.08662	7.4
256.07141	6.1
259.09668	11.4
264.07791	7.4
265.08655	5.3
271.09778	12.1
274.08356	13.3
283.09692	6.7
289.10654	13.6
291.10089	6.9
305.07950	5.2
306.08896	7.4
307.09671	6.6
311.12735	7.6
321.11206	13.1
333.11111	7.3
334.11551	4.6
339.12350	10.7
349.10437	4.7
351.12189	8.1
352.13705	5.7
353.13782	20.9
357.18716	8.5
363.12463	5.5
365.13742	13.2
369.23743	6.2
383.14853	13.2
395.14850	12.8
399.19904	52.6
407.14941	9.4
425.15942	17.4
425.26660	10.3
443.18729	100.0
443.26508	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	443.0971
Annotation	(-)-Epicatechin gallate
Peak:m/z	Relative Intensity
52.70491	0.8
53.03960	1.1
55.01868	1.8
57.89754	0.8
61.02909	1.3
65.03940	1.9
67.05499	3.3
68.99796	2.0
69.03419	2.0
69.27417	10.0
74.06096	1.0
79.01868	4.4
79.05515	0.8
81.03463	1.2
81.07048	1.0
81.56912	0.8
82.06561	1.2
83.04974	2.3
85.02908	3.0
86.09693	1.1
90.62356	0.9
91.05482	2.0
93.03423	1.2
94.06570	1.3
95.04958	3.2
97.02886	3.6
101.93591	0.8
102.81118	0.9
103.05484	1.3
105.03384	1.1
105.07014	1.7
107.04953	7.5
111.04434	4.2
119.04926	2.9
119.08604	1.4
123.04424	85.0
125.02376	2.9
127.03948	3.0
131.04941	1.3
133.06508	1.0
137.05991	2.8
139.03899	100.0
140.04260	1.6
143.03432	3.4
143.04901	1.1
147.04422	9.0
151.03885	9.8
153.01834	40.9
153.02811	1.5
161.05997	1.9
163.07524	2.1
165.05447	6.5
175.11226	1.1
177.13966	1.6
189.05516	1.1
207.06541	1.7
218.09030	0.8
273.07529	5.6
291.08588	5.2
383.11264	1.0
404.12067	0.9
443.18472	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03466	4.1
55.01863	0.9
55.04250	3.1
56.05033	1.4
61.02922	0.9
69.03427	2.6
69.99639	4.9
70.02961	1.1
79.05469	0.9
80.05014	0.9
81.04538	22.5
82.05318	8.2
85.02905	2.8
97.02903	2.2
98.21276	2.0
100.07593	0.9
102.38924	0.9
108.05621	1.6
110.06075	1.0
110.07127	0.9
111.04562	0.8
115.08693	8.5
122.07153	100.0
123.04451	1.6
123.07933	98.6
124.07558	2.2
127.03888	1.5
133.09752	3.4
135.41922	0.9
136.62955	0.8
137.06018	1.0
139.03897	2.5
144.04915	1.1
147.04439	2.2
148.04785	1.4
152.07068	2.4
160.04303	2.7
163.04047	0.8
165.07724	3.0
170.08133	2.9
172.04327	2.0
179.10893	0.9
193.09679	1.1
200.13960	0.9
213.94098	0.9
229.11867	1.0
232.99989	0.8
237.02779	0.9
256.12875	1.3
274.14038	5.0
281.10678	65.2
282.11093	1.7
302.17133	2.3
322.18143	0.9
323.11896	0.9
371.12946	1.1
425.20309	3.0
443.15982	66.2
443.21326	5.8
444.16333	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	443.0216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28752	3.3
50.86999	3.2
56.62473	3.1
66.44347	3.2
71.57056	6.2
79.10327	3.0
80.07820	3.3
84.21951	3.1
90.87267	3.4
99.97084	3.3
119.01920	3.9
133.11298	3.6
152.51282	3.4
155.07059	4.3
177.01109	3.3
219.01941	6.6
221.01901	5.6
234.99992	12.8
253.01093	8.5
258.99963	25.1
260.00253	6.4
261.00079	4.9
261.03024	14.8
263.02814	9.3
274.97809	5.2
276.97876	6.3
277.00980	38.1
278.01071	5.0
279.00824	9.1
282.99994	32.0
284.00278	5.9
284.99887	4.9
299.09863	16.9
300.10107	4.6
301.01025	100.0
301.09668	19.5
302.01212	18.6
303.00879	18.7
304.00879	5.8
316.98755	5.2
319.02090	8.1
324.02768	5.1
401.01315	6.0
402.01126	4.6
403.01065	13.7
418.97513	25.8
419.98114	5.8
425.01260	7.4
443.02432	46.6
444.02225	6.2
461.00449	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	442.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.1
55.05512	4.4
57.03449	1.0
61.57105	0.8
69.56953	0.9
69.57294	7.2
70.06589	1.7
72.08155	16.8
79.05485	1.9
81.03412	1.3
82.06567	1.6
85.02904	2.3
90.43858	0.9
91.05463	4.2
95.04966	2.1
96.08116	1.6
98.20726	1.0
106.06571	1.1
107.04979	2.9
107.08564	1.1
113.09649	0.8
116.07095	2.2
117.05791	1.1
118.06544	10.1
119.04996	4.7
119.07324	86.3
120.08101	4.0
122.06029	3.7
123.04405	4.3
127.03855	0.9
130.06534	4.8
134.06018	19.6
134.08127	3.5
135.04446	1.5
135.06804	12.8
136.07587	2.8
139.03873	4.7
143.08444	0.8
145.02832	1.3
147.04416	10.5
147.09018	1.1
150.05428	5.0
151.03915	1.2
153.01830	2.3
155.66838	0.9
163.03955	1.4
167.06981	1.0
173.12035	1.9
176.07045	6.0
177.05510	2.3
207.08005	2.1
210.06795	1.7
223.07635	1.3
225.09212	1.8
231.13614	0.9
234.09082	1.0
235.07542	2.2
237.09178	4.3
240.10115	1.4
241.08583	1.1
252.10217	14.7
254.11769	18.7
254.14441	0.9
256.09760	6.5
269.12863	34.9
270.11215	2.7
273.07571	0.9
279.13409	1.8
280.09415	2.1
280.12091	2.2
280.15549	1.0
290.10294	1.0
298.10629	8.6
303.05090	3.3
304.05240	6.2
308.16455	1.3
315.13385	100.0
316.13745	3.8
323.17599	3.1
324.15909	2.1
352.89938	1.0
368.19742	2.7
369.18109	6.0
379.16678	4.8
397.17618	4.4
414.20218	22.6
415.20782	1.0
425.17230	6.0
442.20322	4.3
443.19974	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.171
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40413	0.3
57.03437	0.5
65.03918	0.5
67.05467	0.4
68.82604	0.3
69.03417	1.1
70.06582	1.4
70.92474	0.7
72.08139	0.8
79.05471	0.4
81.86700	0.4
84.08125	0.5
85.02892	1.2
88.07625	0.7
90.66111	0.3
91.05480	5.3
94.06570	0.5
95.04974	0.4
97.02877	0.5
98.06017	0.6
100.02197	1.0
103.03954	1.6
105.06983	0.3
106.25291	0.4
107.04918	0.4
110.06020	0.3
111.04460	0.6
116.07082	2.1
118.06510	0.6
119.04943	16.7
119.07305	4.7
119.53625	0.3
121.20878	0.4
122.06015	1.0
123.04432	2.1
124.07625	0.6
127.03922	0.6
134.05980	1.0
134.08125	13.6
135.06773	0.6
136.07574	1.3
139.03903	9.5
146.02708	2.6
147.04405	100.0
148.04742	1.4
150.05518	0.5
151.03929	1.8
153.01799	0.4
154.03221	0.7
164.07021	0.9
170.06064	0.4
172.07549	0.7
172.11247	0.3
173.19810	0.4
181.04974	0.6
182.08041	0.5
184.07562	0.7
189.12680	0.4
196.07619	1.0
200.07077	1.2
212.07037	1.1
214.08475	0.6
216.06525	0.8
217.07347	4.8
218.08112	1.8
224.07033	1.8
229.07458	0.7
230.08099	2.9
234.18520	0.5
240.06833	0.6
242.08102	2.6
243.08075	1.9
252.10283	0.8
253.13321	0.4
254.08145	0.6
254.11833	1.3
256.09662	0.4
258.07556	0.3
259.08350	1.5
260.09204	1.1
262.18018	1.2
269.12900	1.5
280.09076	0.4
280.11783	8.4
291.08636	0.5
298.10709	0.4
299.13934	0.7
303.13354	0.7
304.05151	0.5
304.11847	0.7
306.76443	0.4
309.09662	1.6
315.13400	4.8
369.17993	0.5
380.11526	0.4
414.20361	1.0
425.17255	0.4
442.11313	8.0
442.17188	2.5
442.24240	0.6
443.15646	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.171
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29852	0.4
57.03426	0.6
60.89281	0.4
61.19818	0.4
65.03934	0.7
68.60696	0.5
69.03406	1.3
70.06582	1.4
70.57139	0.6
70.57493	1.5
72.08159	1.1
79.05487	0.6
81.03404	0.7
84.08170	0.5
85.02902	2.1
86.09696	0.8
91.05479	6.6
92.53299	0.4
93.40867	0.4
97.02882	1.0
98.06029	1.2
98.97580	0.6
100.02206	1.2
100.07610	0.7
103.03928	1.6
105.00060	0.5
109.02853	0.8
116.07071	2.2
117.06959	0.5
118.06556	0.9
119.04948	16.9
119.07310	5.8
120.08056	0.5
122.06023	1.9
123.04434	1.5
124.07609	1.1
127.03943	1.0
131.04964	0.5
132.10161	0.5
134.06047	2.4
134.08127	15.8
135.06844	0.7
136.07553	2.3
138.09129	0.6
139.03909	2.9
146.02698	3.5
147.04408	100.0
148.04779	1.6
149.05876	0.9
150.05547	0.5
151.03874	0.7
153.01813	1.7
154.02150	0.6
154.03238	0.7
154.08575	0.8
164.07059	1.8
165.05559	0.4
177.05357	0.6
182.08098	0.8
215.65207	0.4
217.07277	0.9
230.08279	0.5
242.08026	0.5
243.08022	2.0
252.10220	1.2
254.11760	1.1
257.12991	0.6
258.11258	0.6
269.12906	2.1
280.09009	0.9
280.11829	10.8
280.15002	0.6
285.12463	0.7
298.10776	0.8
303.13376	1.0
304.05319	2.0
304.11957	0.8
315.13354	7.0
379.16843	0.7
414.20352	0.8
425.16989	0.6
442.11426	1.3
442.17026	1.0
443.14740	0.7
448.85513	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.6
63.16626	1.0
65.03930	3.8
67.01866	3.0
67.05508	1.0
68.99791	6.3
69.03423	4.8
69.60502	5.4
69.60918	1.6
70.06570	2.3
72.08150	1.2
81.03424	1.6
85.02894	2.0
85.86994	1.0
86.09695	1.9
97.02888	2.5
97.04163	0.9
105.01785	0.9
105.07105	1.0
107.04948	1.1
111.00818	1.4
111.04436	14.7
115.05491	2.2
117.07024	1.3
121.02863	7.7
123.04430	5.1
125.02343	1.0
127.03903	4.3
128.06229	2.2
129.07013	3.5
131.04878	1.1
139.03909	18.4
139.05478	2.4
141.06978	4.6
141.26746	1.1
143.03424	1.2
143.08502	1.3
145.06462	2.0
149.02350	6.8
153.01828	100.0
153.07014	3.1
154.02179	6.9
155.03456	1.3
155.04927	3.6
157.06505	8.6
161.06100	1.0
163.03894	3.9
165.01855	3.5
165.06868	0.9
167.03432	18.2
167.04807	1.4
169.06482	16.7
170.06976	1.1
171.02863	5.0
171.04265	1.5
171.08066	3.3
173.06004	5.5
179.03409	25.0
179.04790	1.0
180.03734	2.1
181.01308	3.6
181.06422	5.7
183.02896	3.4
183.04434	5.3
184.05093	1.1
185.06001	12.8
187.07542	3.9
189.05434	1.3
191.03383	2.2
193.04926	1.3
195.02881	8.4
197.04442	1.9
197.05981	19.6
199.03891	3.3
199.07590	5.2
200.04675	1.2
201.05466	15.3
202.06174	3.0
203.07007	1.6
205.05017	1.6
207.04405	2.1
209.05986	3.9
211.02007	1.1
211.03944	3.5
212.04607	1.1
213.05411	6.6
215.07024	32.6
216.07361	1.0
217.04990	3.2
219.06552	3.0
225.05435	11.0
227.07040	4.5
229.04994	14.8
230.05669	3.2
230.08150	1.2
231.06512	38.8
232.06880	1.3
233.08014	1.2
235.04013	1.8
235.07492	1.4
237.05518	2.0
241.04997	2.2
243.06514	37.8
244.07144	2.8
245.08240	4.9
246.07654	3.5
247.05908	2.2
249.05516	1.5
253.04884	5.4
254.08209	1.2
255.06541	4.6
263.07138	1.2
267.06476	1.8
271.05960	16.4
272.06360	2.3
272.09000	1.1
273.07559	18.6
275.60587	1.2
277.08725	1.0
286.06802	1.2
287.03867	1.0
287.07068	1.6
289.05460	1.8
290.05670	1.2
290.10217	2.1
291.06494	1.9
298.07236	1.3
303.06729	1.1
305.08194	2.9
309.07654	1.2
315.06619	2.3
317.17215	1.0
319.06210	1.4
333.07532	4.2
335.09183	1.2
337.07071	1.5
343.06067	3.3
350.07996	1.2
351.08661	4.3
361.07089	6.2
369.09460	1.7
371.05576	1.4
379.08072	8.1
389.06750	5.1
397.09183	27.4
398.09470	1.8
398.18436	1.9
406.09180	4.0
407.07584	13.7
424.10248	5.8
424.15652	1.0
425.08646	91.8
426.09045	4.5
442.11273	24.3
442.17639	8.1
443.11490	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3729
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
55.05491	3.7
66.69893	2.4
67.05467	2.6
69.07055	8.3
69.70663	17.3
80.25865	2.5
81.07045	10.0
88.83132	2.3
93.07046	6.0
95.04955	2.6
95.08611	15.2
105.06994	5.8
107.08593	12.0
109.10155	8.1
112.22169	2.6
119.08588	5.4
121.10134	9.4
123.08086	2.5
123.11697	7.0
133.10150	5.4
135.08073	3.2
135.11687	6.9
137.13310	2.8
145.10197	4.0
147.11629	3.6
149.09625	10.9
159.11653	3.2
161.13293	2.9
177.16400	3.4
189.16402	4.3
198.88388	2.5
199.94785	2.7
203.68959	2.6
295.87598	2.4
315.09341	2.3
441.37253	100.0
442.37949	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	441.373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	18.4
56.02501	5.8
57.07046	8.4
67.05501	38.3
69.03438	12.4
69.07066	31.5
71.58405	6.9
71.58814	7.1
79.05482	17.5
81.07069	71.8
83.04980	6.9
83.08605	10.0
84.08141	17.2
85.02928	8.4
85.82655	5.6
91.05460	15.4
93.07046	45.4
93.91154	6.0
94.17027	5.7
95.04954	8.0
95.08605	100.0
97.02878	10.8
103.68428	6.1
105.07034	42.2
107.08578	81.4
109.10172	66.9
111.08096	19.8
116.98611	6.4
119.08588	45.2
119.64189	6.4
121.10148	45.2
122.06071	11.6
123.11708	31.9
127.03896	6.7
127.27830	5.3
130.08621	6.9
131.08595	17.6
133.10127	39.5
135.11687	32.9
137.09639	29.9
137.13281	11.8
139.11140	9.7
143.08464	6.3
145.10143	19.6
147.11659	18.1
148.96460	6.2
149.13263	32.6
151.11192	8.7
153.01855	59.1
159.11685	21.2
161.13290	19.4
163.14874	21.2
165.09106	57.5
167.07071	9.9
169.08852	6.6
173.13219	14.3
175.14830	12.8
177.16379	13.8
179.03424	12.7
187.14873	10.3
189.16374	21.9
191.17990	7.2
193.08656	9.6
193.15878	18.7
203.17998	28.8
205.12199	7.1
205.15938	6.2
213.16479	9.0
215.18057	6.8
217.19467	14.3
219.17316	6.8
221.19043	9.3
226.04855	9.5
229.19579	14.7
247.20348	7.9
269.22568	7.2
271.06015	17.2
273.21991	7.2
318.09610	10.4
379.92123	5.9
407.56183	7.8
423.36188	20.4
441.24817	10.6
441.37430	30.1
442.40030	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	441.3723
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05500	8.2
57.07059	2.8
67.05500	24.3
69.07058	18.9
69.82103	3.0
70.76101	6.2
70.76469	5.0
79.05485	15.9
81.07059	49.4
82.82923	3.0
83.08618	7.4
84.95067	2.1
91.05466	10.9
93.07035	36.7
95.08601	100.0
97.10146	3.5
103.63664	2.4
105.07025	28.1
107.08584	60.0
109.06495	4.9
109.10152	45.1
111.08071	21.4
116.87234	2.4
117.07014	3.5
119.08574	36.4
121.10139	46.0
123.11700	21.8
125.09637	3.3
129.07059	3.1
131.08530	13.0
133.10118	29.6
135.11671	30.2
137.13263	5.9
139.11172	11.9
143.08517	3.1
145.10101	10.0
147.11676	21.7
148.58388	2.7
149.02461	2.5
149.13257	27.2
151.11218	3.8
157.10141	4.8
159.11658	20.5
161.13260	23.7
161.61302	2.3
163.14839	12.6
163.25635	2.1
165.12761	4.4
171.11674	3.4
173.13243	16.4
175.14799	15.5
177.16368	18.4
179.14320	4.0
187.14777	10.5
189.16292	15.0
191.17914	7.1
193.15807	3.8
195.17395	7.4
199.14873	3.4
201.16386	13.8
203.17943	15.6
205.15858	3.3
207.17473	3.4
213.16438	5.4
215.17998	10.0
217.19533	9.2
219.17461	8.1
221.18976	5.4
227.17889	5.9
229.19533	22.2
233.18958	6.1
243.21046	4.5
247.20555	13.5
257.22711	7.0
259.20535	3.2
261.22189	4.8
269.22702	4.1
273.21701	2.7
275.23740	5.8
283.24173	4.0
287.23642	5.1
311.67822	2.5
405.35660	3.5
423.36191	26.4
441.37308	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	441.3726
Annotation	Mollugogenol B
Peak:m/z	Relative Intensity
53.03945	4.2
55.05502	10.5
56.57542	3.2
57.07080	4.3
59.21743	3.4
64.61581	3.1
67.05505	29.9
69.07070	26.2
69.98560	3.5
71.04996	4.8
71.32932	6.4
72.64480	3.1
79.05493	18.7
81.07062	54.7
83.08624	11.2
91.05466	21.5
93.07047	45.4
95.05017	4.2
95.08609	100.0
97.10183	7.8
105.07016	48.5
107.08601	51.3
109.10164	60.2
111.08089	7.0
111.11761	5.7
117.07017	4.8
119.08581	57.2
121.10146	55.0
123.08053	4.4
123.11684	24.9
127.03952	8.0
131.08594	18.6
133.10110	44.7
135.11714	32.5
137.13246	10.1
143.08575	5.3
145.10123	26.0
147.11679	32.4
149.13263	22.7
153.01817	5.1
156.09584	3.9
157.10205	8.8
159.11694	23.7
161.13274	38.4
163.14792	23.4
171.11761	4.6
173.13268	22.5
175.14825	34.1
177.16406	19.3
184.07298	4.1
185.13293	6.2
187.14815	21.2
189.16353	22.3
191.17946	12.3
193.15955	3.6
199.14827	9.3
201.16344	16.5
203.17978	22.3
205.15860	6.4
205.19499	12.8
213.16394	4.8
215.17990	12.4
217.19484	18.9
219.17436	5.8
227.17990	8.2
229.19518	14.2
231.21016	6.0
241.19489	6.0
243.21114	5.7
245.19037	4.2
245.22551	6.8
255.21289	4.4
257.22623	10.8
271.24252	5.7
285.22302	4.8
313.24924	4.9
365.31580	4.9
393.35126	6.6
395.69595	4.1
405.35123	15.5
423.36255	37.0
441.37140	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	441.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	6.5
55.05511	17.6
55.82684	1.7
56.96581	1.8
57.03442	2.0
65.03934	3.6
67.05499	22.3
69.03424	4.5
69.07059	9.9
69.41115	14.9
69.41525	2.4
79.05489	20.3
81.03427	2.6
81.07051	26.1
83.04967	3.4
83.08603	6.2
85.02909	3.2
85.06567	2.4
91.05463	15.8
93.07034	15.3
95.04957	6.5
95.08607	17.4
97.06522	3.0
97.10163	8.6
105.07021	18.8
107.04966	5.0
107.08591	14.9
109.06481	3.4
109.10146	15.2
110.53375	1.7
111.08095	3.6
115.05460	3.9
117.07030	10.2
119.08566	8.9
121.06496	11.8
121.07248	2.1
121.10138	5.9
123.08031	4.4
123.11720	2.8
125.09653	4.5
128.06247	4.5
129.07016	19.9
131.04880	13.7
131.08537	12.9
133.06488	7.9
133.10178	5.7
135.08032	2.4
137.09601	9.7
139.03886	6.9
141.07010	8.9
143.08545	14.5
144.05704	7.2
145.06476	100.0
145.10152	4.3
145.66344	1.7
147.08038	8.7
147.11661	3.4
149.09634	2.7
149.13202	2.7
151.11166	3.8
153.01802	4.0
153.06882	2.4
155.08533	9.1
157.06490	16.1
157.10158	6.7
159.08063	13.2
159.11642	3.0
161.05977	7.6
161.09666	3.2
165.07056	2.8
165.09102	60.0
167.08571	6.6
169.06511	7.7
169.10144	4.9
171.08026	23.3
171.11583	2.2
173.09654	5.0
175.07500	2.3
177.09074	3.8
179.08553	2.3
181.06491	3.2
181.10109	3.6
183.08035	9.5
183.11728	2.2
185.05904	2.1
185.09587	7.0
185.13254	2.4
187.14798	1.9
195.08022	6.9
195.11620	17.0
197.01196	2.2
197.09625	7.0
197.13251	3.9
205.12334	6.6
207.69954	1.9
209.09573	4.1
211.11217	5.6
213.12704	3.6
221.13290	2.5
222.10341	2.2
223.11206	6.0
225.12782	7.7
227.14301	10.8
235.11162	4.7
237.12669	12.1
239.14374	5.0
243.13875	4.4
249.12703	2.1
255.13809	14.9
269.15134	2.1
273.14816	37.8
281.15436	5.6
283.16913	4.2
287.16315	1.9
293.15326	3.4
295.16898	2.4
299.16690	4.6
299.19711	1.9
303.05026	4.1
303.19614	2.2
307.17084	2.3
311.16437	5.7
313.17905	2.3
315.05185	3.6
321.22238	2.3
325.17999	4.3
328.38840	2.1
331.20407	3.4
339.23108	8.9
349.21597	42.7
350.21829	2.9
367.22659	80.0
368.23010	3.5
377.24680	4.2
385.23499	8.6
387.23376	3.4
395.25925	2.8
405.24255	15.4
423.25296	6.0
441.26349	87.1
441.33282	5.7
442.26685	5.9
446.33890	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.7
55.97667	0.8
64.73008	0.7
68.99784	1.5
69.07103	0.9
71.04969	2.0
71.38251	1.6
75.75505	0.8
79.01849	2.9
83.08613	2.4
85.06525	1.0
91.05447	1.1
97.02937	0.9
98.02638	0.8
101.00885	1.4
105.07048	0.9
107.08624	0.8
114.79440	0.9
119.01934	3.3
125.02340	1.7
127.03913	1.6
130.83966	0.9
131.01939	1.0
133.10127	1.2
135.04413	1.5
143.01875	2.1
143.03423	3.1
147.09221	1.1
153.01830	41.6
154.02179	1.2
157.03487	2.5
161.03006	4.5
161.04143	0.8
163.03952	2.2
166.83295	0.7
175.04524	3.0
179.03389	10.8
179.04730	1.2
193.11963	0.8
201.05492	1.6
201.56256	0.8
203.05331	2.5
215.07155	1.2
221.05048	1.0
227.05351	1.4
229.04976	1.6
243.04819	2.3
245.06419	10.0
261.08075	0.8
265.35208	0.7
271.06085	11.0
287.03641	15.1
289.05289	100.0
290.05817	1.5
331.04446	1.8
355.17081	1.2
397.18350	15.2
410.56784	0.9
423.16388	1.8
424.42191	0.9
440.36566	0.9
441.17337	67.7
442.17426	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.0
56.53969	0.8
57.07071	1.7
65.57313	0.9
67.05495	2.4
67.99023	0.8
68.99797	1.4
69.03423	1.4
69.07033	2.5
70.52433	1.5
70.52790	2.6
71.04938	1.1
71.57497	0.9
79.01822	1.5
79.05483	3.3
81.07075	4.9
84.04490	3.3
85.02909	2.0
85.06557	1.0
87.60079	0.9
88.11032	0.9
91.05481	2.7
93.07047	4.8
94.36274	0.8
95.04965	1.6
95.08602	6.4
97.02876	2.5
98.74261	0.9
100.11237	1.4
105.07036	2.6
107.08574	4.1
109.06545	0.9
109.10152	3.0
111.08031	1.2
119.01901	4.5
119.08590	3.1
120.08862	1.0
121.10170	2.2
123.04415	1.7
123.11694	1.8
127.00027	1.3
127.03910	3.3
129.01810	1.0
133.10144	3.5
135.11684	2.8
138.05539	1.8
139.11200	0.9
139.75461	0.8
143.01891	4.9
143.03360	2.2
143.08519	1.0
145.10127	1.3
146.81670	1.0
147.04413	1.5
147.11690	1.0
149.13162	1.1
149.23221	0.9
153.01833	16.0
161.02928	8.1
161.09625	3.1
161.13239	2.1
162.09892	1.7
163.03949	1.0
165.09071	1.8
175.04477	1.5
175.14908	1.5
179.03419	2.6
187.01007	1.4
193.05034	1.1
193.11940	1.5
203.03880	1.4
208.10593	1.3
215.24864	1.0
218.24396	1.2
229.01941	1.2
229.19452	1.3
237.41248	1.0
243.04736	4.9
245.06386	6.6
271.03769	1.1
271.06277	1.4
277.10785	3.2
287.03662	23.6
289.05280	19.2
319.11948	2.4
355.17279	6.8
397.18332	41.6
398.18533	2.1
423.19452	1.4
423.36200	1.4
441.17340	100.0
441.24301	10.3
442.17661	5.8
467.70169	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35402	0.9
54.78983	0.9
67.05486	1.9
68.99786	2.5
69.03417	2.6
69.09007	1.1
70.06574	1.9
71.58062	1.8
72.08150	1.6
79.01855	3.1
79.05482	1.6
81.03445	1.1
81.07054	2.6
84.04503	1.4
85.01098	1.0
85.02903	2.2
86.09710	2.5
87.59733	1.1
91.05458	1.2
93.07034	2.7
95.08594	2.0
97.02897	3.8
101.24601	1.2
103.97859	0.9
107.08613	2.3
109.02883	1.7
109.10170	2.6
116.07012	1.1
118.15042	1.0
120.08070	6.4
121.02850	1.2
123.04412	1.9
125.02402	2.3
127.03928	6.7
133.10114	1.4
135.11679	1.3
139.03922	2.1
143.03401	6.3
145.02902	1.0
147.04330	1.1
153.01822	66.6
154.02235	1.4
161.02943	1.5
163.03897	2.2
166.08778	1.1
173.05968	1.2
177.05505	2.7
179.03384	17.7
182.72403	1.1
188.14606	1.2
193.04962	3.8
193.11964	6.2
201.03795	1.4
213.05553	1.3
225.05562	1.7
227.05310	1.6
229.04968	3.0
230.27396	1.1
241.04839	1.5
243.04593	5.0
243.06909	1.4
245.06314	6.5
253.04977	1.4
271.06171	15.3
273.03806	1.6
286.06918	1.3
287.03677	34.9
289.05258	48.7
303.05365	1.2
331.04391	4.0
355.17300	2.0
379.17087	2.4
397.18292	18.3
423.16284	15.9
425.08884	1.7
441.17322	100.0
442.17804	4.5
442.78864	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34433	1.1
51.02364	1.5
55.05508	2.2
58.87218	1.1
67.05491	2.3
67.60657	1.4
68.99770	3.1
69.03431	2.3
69.07063	2.2
69.96271	7.5
70.06581	3.8
72.08145	2.9
79.01834	4.5
81.03421	2.7
81.07064	1.9
85.02886	1.8
86.09694	4.7
86.10209	1.5
91.05450	2.2
93.07037	3.9
95.04951	2.1
95.08605	2.4
97.02328	1.3
97.02905	4.5
98.20877	1.8
107.01304	2.7
107.08564	2.3
109.02859	1.2
109.10140	2.3
117.03382	2.1
119.01875	1.7
120.08095	4.7
123.04419	3.1
125.02344	4.0
127.03918	5.6
129.06952	1.2
135.04427	2.7
139.03931	3.6
143.03392	9.6
145.02884	3.0
153.01830	90.4
153.02847	3.8
154.02164	2.2
163.03935	4.1
173.06001	2.5
177.05516	7.4
179.03397	25.6
183.04535	1.4
193.04959	8.1
193.11948	7.1
197.05972	1.6
199.30455	1.3
201.03775	1.5
201.05470	3.3
203.05266	1.4
213.05505	1.8
216.46805	1.2
227.05193	2.3
229.04961	5.2
235.84587	1.2
241.04897	1.8
243.04605	6.4
245.06400	7.3
271.06137	21.5
272.06421	1.5
273.03928	3.4
287.03665	46.9
289.05246	70.3
303.04865	3.1
315.04919	2.2
331.04294	2.7
397.18338	20.5
398.18835	1.5
400.01007	2.0
423.16269	9.8
441.17334	100.0
441.23737	3.9
442.17795	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	441.173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33050	1.6
52.29366	1.3
53.03936	2.6
55.05511	3.4
56.25134	1.6
57.07067	4.6
67.05510	10.3
68.30916	1.5
68.68281	1.4
68.99805	2.8
69.03432	2.2
69.07062	8.2
69.57439	12.8
70.05022	1.4
71.04998	2.4
79.01865	2.4
79.05489	7.2
79.45251	1.4
81.03435	2.7
81.07059	22.9
83.04960	1.9
83.08612	4.7
85.02902	3.6
85.06544	2.8
91.05463	8.0
93.07035	16.4
95.04974	3.0
95.08605	38.0
98.20843	2.7
105.07035	12.3
107.08589	21.8
109.06501	1.5
109.10151	20.5
109.10832	2.0
111.08070	6.5
117.06995	2.8
118.07380	2.1
119.08570	14.4
121.06403	1.4
121.10146	16.5
123.04424	3.8
123.11710	8.3
127.03913	3.3
129.01944	1.7
131.08585	4.8
133.10139	13.7
135.11670	13.8
137.09656	1.8
137.13278	3.8
139.03952	7.6
139.11186	4.0
143.03358	3.7
145.10126	6.4
147.04459	3.0
147.11703	8.7
149.13232	9.1
151.03902	3.1
153.01831	36.5
153.02882	1.8
153.07076	1.7
157.03494	1.7
159.11702	6.6
161.02962	3.2
161.05971	1.7
161.09648	1.9
161.13269	8.3
163.03961	1.9
163.14841	6.3
165.08958	1.4
165.12827	2.5
169.06575	1.6
171.11926	1.6
173.13260	5.2
175.14827	6.0
177.16408	6.7
179.03421	9.2
187.00899	1.8
187.14871	5.6
189.16414	5.8
191.17957	4.3
193.04977	2.7
193.11938	2.7
193.15848	2.7
195.17416	4.0
197.05919	1.8
201.16412	5.7
203.05408	2.4
203.07115	1.7
203.17967	7.0
205.08623	2.3
207.17458	3.4
213.16389	2.3
215.17992	4.2
217.19511	4.8
219.17381	2.1
223.09587	2.2
227.17914	1.9
229.19545	6.5
233.18823	1.7
235.09589	4.4
245.06361	5.0
247.18213	2.1
247.20634	3.0
255.21048	2.7
257.22635	2.5
269.22559	2.5
271.06265	8.6
271.08661	2.4
277.10764	7.6
283.09854	2.1
287.03809	5.0
289.05234	51.5
301.10663	4.3
319.11786	4.5
331.04535	1.8
355.17151	8.2
397.18317	36.6
423.36099	11.7
441.17325	100.0
441.23874	3.8
441.37262	10.8
442.17508	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	441.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13262	1.3
52.14235	1.3
64.62514	1.4
71.03352	4.5
75.48128	1.4
77.61415	1.5
86.09669	3.6
93.07045	3.2
98.86105	1.5
107.08606	1.8
119.01920	5.5
123.04433	1.7
124.48289	1.5
127.03906	2.2
143.01907	2.8
143.03423	3.8
153.01830	34.9
153.02989	3.0
161.03018	3.9
163.03963	2.7
173.06137	2.0
175.04422	1.9
179.03407	8.2
182.84805	1.6
187.00902	1.7
193.12030	7.0
229.01933	2.1
243.04749	8.0
245.06422	7.4
271.06430	7.5
287.03668	54.9
289.05298	66.0
333.98355	1.6
355.17261	3.4
397.18314	17.7
423.36703	2.3
425.08368	2.3
441.17386	100.0
441.24506	14.1
442.17926	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.7
55.97667	0.8
64.73008	0.7
68.99784	1.5
69.07103	0.9
71.04969	2.0
71.38251	1.6
75.75505	0.8
79.01849	2.9
83.08613	2.4
85.06525	1.0
91.05447	1.1
97.02937	0.9
98.02638	0.8
101.00885	1.4
105.07048	0.9
107.08624	0.8
114.79440	0.9
119.01934	3.3
125.02340	1.7
127.03913	1.6
130.83966	0.9
131.01939	1.0
133.10127	1.2
135.04413	1.5
143.01875	2.1
143.03423	3.1
147.09221	1.1
153.01830	41.6
154.02179	1.2
157.03487	2.5
161.03006	4.5
161.04143	0.8
163.03952	2.2
166.83295	0.7
175.04524	3.0
179.03389	10.8
179.04730	1.2
193.11963	0.8
201.05492	1.6
201.56256	0.8
203.05331	2.5
215.07155	1.2
221.05048	1.0
227.05351	1.4
229.04976	1.6
243.04819	2.3
245.06419	10.0
261.08075	0.8
265.35208	0.7
271.06085	11.0
287.03641	15.1
289.05289	100.0
290.05817	1.5
331.04446	1.8
355.17081	1.2
397.18350	15.2
410.56784	0.9
423.16388	1.8
424.42191	0.9
440.36566	0.9
441.17337	67.7
442.17426	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70000	0.5
51.55250	0.5
53.03947	0.6
55.01858	1.7
56.96562	0.5
61.87164	0.5
65.03944	0.6
67.05537	0.5
68.99790	1.7
69.03405	0.7
69.07056	0.7
70.06585	1.9
70.89812	0.6
70.90167	1.3
72.08166	0.7
76.12201	0.5
79.01868	0.5
79.05505	1.2
79.93490	0.5
81.03400	1.2
81.07061	1.4
83.01079	0.8
84.08119	0.5
85.02905	3.0
86.09718	1.1
91.05473	1.8
93.02879	0.5
93.03409	2.1
93.07039	0.6
95.01113	1.2
95.04985	1.3
96.01859	0.6
97.02879	2.2
103.05439	0.9
104.64451	0.5
105.03397	1.1
105.07028	1.8
107.04953	3.3
109.02882	2.6
111.04437	0.9
112.69987	0.6
113.02124	2.4
115.05419	0.9
117.06983	0.7
119.04937	1.4
121.02857	2.9
121.06509	1.1
122.06012	0.6
123.04401	3.4
127.03928	1.9
129.06990	0.7
131.04921	1.4
133.02881	1.1
133.06479	2.2
135.04414	3.1
137.05927	0.8
139.03897	5.3
143.03403	0.6
145.06477	0.9
147.04411	2.8
149.02348	1.4
149.05962	0.6
151.03917	1.3
151.07579	0.5
153.01826	7.4
153.02982	0.9
155.22064	0.6
159.04378	2.9
161.02412	0.6
161.05995	2.3
163.03862	2.4
164.10686	0.6
165.01889	1.3
167.03290	1.1
171.04408	0.6
173.06013	1.8
175.03859	0.7
177.01840	1.9
177.05508	2.2
179.03436	1.7
183.02798	0.9
185.04214	3.4
185.05751	0.6
187.03938	2.3
189.01817	1.8
189.05356	1.1
191.03342	2.5
193.04961	2.8
195.02950	2.8
199.03923	0.8
201.01918	1.0
201.03746	1.2
201.05356	3.5
203.03406	1.6
203.05200	0.9
204.07581	2.5
205.01268	1.4
205.04903	1.7
207.02861	2.8
213.05548	0.6
215.03444	1.8
217.05048	1.0
219.02983	2.6
223.02327	2.3
225.03870	2.6
227.03458	0.8
229.04955	4.7
229.10396	0.6
230.11124	0.7
231.02937	1.8
233.04422	2.3
243.02959	2.0
243.06377	0.9
243.58328	0.5
245.04475	2.3
247.06178	1.4
249.03972	2.4
257.04407	4.1
261.03958	4.9
271.06070	0.8
273.03940	7.5
275.05508	1.3
279.08771	1.1
279.12204	0.9
285.03912	11.1
286.04413	1.1
287.05548	0.8
291.04898	3.8
297.03912	0.7
297.07553	0.6
303.04996	28.5
304.05338	2.0
309.07132	0.7
315.04944	3.7
315.13217	1.0
321.06006	4.9
325.07104	1.0
327.04913	1.3
327.08334	1.3
345.05884	1.4
363.07092	8.0
393.09027	2.7
405.08411	0.9
423.07474	0.9
441.17316	100.0
442.12009	0.9
442.17639	4.2
442.23785	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13461	3.1
51.52942	3.1
56.96566	27.1
70.87957	7.2
70.88339	8.1
73.61971	3.6
81.07063	22.5
84.96039	10.5
90.79477	3.5
93.07081	4.3
95.08601	7.0
98.97578	100.0
110.97587	6.4
112.99131	9.8
116.98620	74.2
128.98596	16.1
129.05353	3.8
131.00172	20.6
134.99649	32.0
137.13268	4.7
139.03859	4.0
144.98065	3.6
145.94740	3.6
146.99652	13.4
149.01218	19.7
157.09984	4.0
158.99678	34.0
160.97514	4.6
161.01028	4.6
173.01176	19.3
177.00700	48.1
179.03494	5.0
191.02280	23.9
195.01836	7.2
201.00725	12.0
202.98698	6.5
211.09952	4.0
219.01743	24.8
237.02791	34.8
244.99709	5.7
263.00784	3.6
283.46347	3.9
287.03537	4.0
289.05310	5.7
355.14175	55.8
373.15350	62.5
396.16772	5.5
397.15137	26.6
441.15802	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	441.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	30.0
67.05494	7.0
68.60134	3.5
69.07058	8.3
71.41380	5.6
79.18053	3.4
81.07060	37.4
84.96021	11.7
91.05450	7.3
93.07045	8.4
93.53499	4.3
94.59072	3.2
95.08628	22.8
98.97585	100.0
98.98206	7.6
103.71564	3.4
107.08608	8.4
109.10155	17.1
109.86078	3.6
110.97543	5.5
112.99126	9.8
116.98618	94.6
119.08551	5.2
121.10126	9.0
124.97607	3.8
127.03892	5.0
128.98619	13.9
131.00175	28.4
131.08548	4.2
133.10138	4.8
134.99669	59.5
135.11687	4.5
140.00217	3.9
140.77609	3.8
144.33557	3.8
144.98039	4.6
146.99641	17.0
149.01224	35.0
153.00790	6.2
153.01848	17.0
158.01208	5.5
158.99605	37.4
161.01219	11.4
162.99048	5.9
165.00722	3.7
165.09070	7.0
167.02271	5.6
173.01218	26.6
177.00703	61.7
189.00700	7.5
191.02266	40.2
195.01740	5.3
200.02368	8.3
201.00731	10.6
202.98668	13.3
219.01791	32.6
237.02820	50.0
242.03413	5.2
244.99698	13.0
253.11143	7.5
255.03934	5.9
261.02774	4.7
263.00818	5.0
271.05820	4.7
355.14258	75.5
367.11807	5.2
373.15353	77.5
396.16867	9.0
397.15298	35.9
415.16364	11.0
441.15979	6.7
441.22543	7.3
462.54175	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	441.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.3
55.01865	0.5
68.99772	0.9
69.03421	1.3
70.06575	0.5
71.04977	0.2
77.03921	0.3
79.01840	0.7
81.03394	1.1
85.02898	1.9
87.00809	0.7
91.05458	0.5
97.02903	1.4
99.04452	0.3
105.01842	0.7
107.05022	0.2
109.02868	1.2
120.08084	0.5
121.02862	0.5
122.03609	0.9
123.04408	0.5
125.02341	0.6
127.03903	2.9
131.04892	0.3
133.02844	13.4
135.04382	0.3
137.05974	3.6
139.03883	3.8
143.03375	0.9
145.04933	0.5
149.02327	0.6
149.05994	1.3
150.03098	0.9
151.03876	0.3
153.01820	11.6
157.06454	0.4
159.02898	0.7
159.04367	0.8
163.03909	0.8
165.05511	1.3
171.04356	0.5
173.05925	0.7
177.05415	0.8
178.02600	8.3
179.03366	1.6
183.04398	0.3
187.03941	0.8
191.03357	1.1
193.04953	100.0
194.05299	2.0
201.05443	0.8
205.04944	0.7
213.05556	0.4
215.03401	0.6
217.04910	0.3
219.02890	0.5
222.66937	0.2
227.03543	0.4
229.04930	1.6
241.05000	0.3
245.04533	0.4
254.21042	0.2
255.02997	0.5
257.04385	1.0
259.06064	0.3
261.03915	0.7
263.05472	0.3
269.04230	0.4
271.06033	2.4
273.03882	1.2
275.05371	0.5
285.03833	0.8
287.05453	0.6
297.03891	0.5
303.04971	41.7
304.05374	1.4
315.05005	3.2
316.05356	0.3
323.98990	0.3
423.07117	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
60.76697	0.2
67.01853	0.8
67.32067	0.2
68.99802	0.5
69.57967	1.3
72.75827	0.2
81.03358	0.2
85.02879	0.5
98.20710	0.2
100.11273	0.2
109.02884	0.4
123.04446	0.3
125.05983	0.7
127.03891	0.5
135.40039	0.2
147.04369	0.7
151.03885	0.3
153.01834	1.7
169.04913	0.4
193.04953	100.0
194.05295	3.1
215.93515	0.2
236.11353	0.2
355.10165	0.3
441.10358	0.8
441.16495	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	441.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.3
67.01853	0.9
68.99802	0.7
69.03419	0.6
70.06591	0.5
71.57872	0.3
79.01837	1.0
79.05468	0.3
81.07041	0.4
84.08134	0.5
85.02898	0.9
85.46899	0.3
86.09695	0.4
91.05476	0.5
95.05001	0.4
95.08578	0.3
97.02911	0.8
103.05486	0.3
107.04964	1.4
109.02811	0.4
120.08079	0.7
121.06479	0.3
123.04414	0.5
125.02377	0.6
125.05987	0.6
127.03915	1.3
133.06445	0.4
135.04388	0.6
137.05966	0.5
139.03885	0.9
141.10252	0.3
143.03415	1.7
143.65887	0.3
147.04384	1.0
151.03885	1.0
153.01839	14.4
163.03888	0.5
169.04965	0.5
179.03409	3.4
193.04961	100.0
194.05296	2.2
203.03520	0.3
203.07030	0.4
225.05490	0.3
229.04916	0.7
245.04303	0.5
271.05972	3.6
272.63321	0.3
285.04056	0.3
287.05457	0.6
289.07007	0.5
303.04849	0.8
315.04834	0.6
325.44577	0.3
331.04434	0.5
355.10284	0.4
432.49091	0.3
441.09845	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	27.5
69.03416	2.9
70.19291	14.7
71.13158	2.7
82.42480	2.9
83.89854	2.8
84.96019	8.0
85.02896	4.2
95.87569	2.5
98.21417	3.4
98.96938	5.2
98.97583	100.0
100.07607	3.7
101.00898	4.4
110.97572	19.4
112.99142	11.4
116.98624	67.7
119.01910	12.8
128.98613	33.0
129.03984	5.1
131.00175	29.1
131.01894	12.0
131.51898	3.4
133.03470	5.5
134.99667	24.1
135.04358	3.9
140.00230	3.3
140.98582	8.1
143.00212	13.6
143.01871	3.8
145.01747	3.7
145.03455	8.9
146.08104	4.3
146.99677	20.3
147.05043	27.0
149.01208	15.8
152.98558	4.3
155.01884	6.7
157.03479	7.3
158.98503	3.1
158.99681	37.6
159.05011	5.8
161.01219	18.2
161.02824	3.7
163.02713	4.4
163.03903	8.2
165.00656	3.1
165.04707	3.0
165.06104	12.6
169.03413	4.3
170.99680	23.4
171.05067	10.4
173.01270	13.3
173.02939	9.8
173.06602	4.7
175.04515	7.9
177.00719	47.6
179.02315	3.8
182.99677	9.7
183.05022	9.0
185.02985	3.2
185.06567	3.1
189.00722	32.5
189.06064	31.6
191.02226	15.7
193.03780	4.8
195.01747	5.6
201.00694	50.6
201.02560	3.1
201.06081	32.8
203.04018	4.9
203.07556	6.9
203.54024	3.4
207.01802	7.3
211.04843	4.0
213.00745	5.3
213.06123	4.4
219.01781	57.8
219.07085	3.1
221.05022	11.7
225.06062	12.0
231.01901	4.7
231.07143	5.6
233.03334	7.8
237.02786	36.3
243.01801	16.3
245.05153	5.1
247.06903	5.0
249.02936	3.9
261.02850	90.8
261.05603	6.0
261.08240	5.3
273.02701	3.5
279.03857	64.8
281.05383	6.0
291.04239	22.3
291.09290	92.5
295.56607	2.8
302.05716	3.7
307.08826	5.2
309.10660	37.1
321.04865	42.4
321.10312	9.6
323.10095	4.5
337.07797	24.1
351.05984	5.6
355.09174	25.4
381.10944	4.7
397.10272	5.5
423.13516	16.4
441.09091	16.1
459.10617	3.2
468.43469	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01577	0.4
51.02377	0.7
55.01865	0.7
56.34672	0.3
56.96556	0.4
68.99778	3.2
70.06600	2.0
71.23822	0.3
71.57677	0.5
71.58106	0.4
72.08170	0.4
74.06020	0.4
79.01854	5.7
81.03424	0.6
83.92204	0.3
86.09698	0.9
95.04973	0.5
97.02883	1.4
98.97580	0.4
106.33269	0.4
107.01332	1.7
107.04909	0.7
111.00779	0.8
116.98633	0.4
117.07033	0.3
123.00797	0.3
123.04424	2.5
123.12453	0.4
125.02359	4.5
127.03902	5.3
129.06972	0.5
129.10147	0.4
131.04880	0.4
133.02885	0.5
135.04417	3.2
135.05356	0.6
137.02266	0.5
139.03889	1.8
143.03404	8.9
151.03860	0.5
153.01826	100.0
153.06595	1.3
154.02184	1.0
155.04913	0.8
157.06485	0.8
159.04410	0.9
161.05974	0.4
163.03908	4.9
169.06496	0.8
173.05994	2.9
175.07550	0.6
178.02602	0.7
179.03394	27.3
183.04489	1.0
185.06012	0.7
187.03925	0.9
190.88556	0.3
193.04939	5.5
195.04520	0.5
197.05974	2.1
201.05447	3.3
203.07063	1.5
213.05492	1.5
223.71298	0.3
225.05476	1.5
227.03482	0.5
229.05022	4.1
241.04979	1.1
243.06575	1.0
245.04529	1.1
253.04980	1.4
257.04358	0.5
261.03979	0.5
269.04462	0.6
271.06003	25.8
272.06583	0.5
273.03967	0.8
279.08698	0.7
285.03922	0.8
287.05515	5.5
289.06995	2.5
297.03986	0.5
303.04922	2.7
315.04950	3.5
331.04410	5.4
405.06238	0.5
423.07248	0.8
441.16425	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.8
67.05492	0.8
68.99784	2.8
69.03413	1.1
70.06609	1.1
79.01851	6.7
81.07059	0.9
86.09689	0.8
91.05471	1.0
93.07030	0.9
95.08598	0.7
97.02876	1.4
97.06518	0.8
105.06979	0.8
107.01304	1.7
109.06546	0.8
111.00760	0.6
121.06475	0.8
121.10108	0.8
123.04432	2.5
125.02370	3.6
127.03905	6.2
135.04385	3.6
139.03888	1.7
141.06903	0.8
143.03383	8.9
145.06392	0.8
149.02324	0.6
151.03896	0.8
153.01820	100.0
154.02167	0.8
155.04979	0.7
157.06482	1.0
159.04358	0.6
159.75719	0.5
163.03882	4.6
169.06401	0.8
173.06000	2.9
179.03377	27.1
183.04408	1.2
185.06114	0.7
193.04932	2.9
197.06009	1.4
201.05496	2.9
203.07053	1.4
213.05583	0.9
225.05492	1.5
229.04982	3.4
241.04944	1.7
243.06596	1.0
253.04961	1.2
261.18655	0.8
271.05997	25.6
272.06262	1.1
282.45065	0.6
287.05573	4.4
289.07047	2.0
303.05087	1.6
315.04904	1.4
331.04456	5.9
352.67715	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48875	0.8
55.01868	2.2
56.82053	0.8
56.96556	1.2
59.25949	0.9
65.03942	1.1
67.05511	1.4
68.99791	4.5
69.03431	1.3
70.06614	1.2
70.66801	0.8
71.05017	1.1
71.58449	2.0
79.01846	1.9
79.05478	1.4
81.03400	1.1
81.07040	1.5
83.04991	1.3
85.02900	1.1
86.09676	1.0
91.05508	2.1
93.07041	1.0
95.04952	1.2
97.02888	2.0
105.07040	1.3
107.04938	2.2
107.08639	1.2
111.04448	2.2
115.05452	1.3
119.08593	1.1
121.02850	2.1
123.04417	2.2
124.07540	1.2
125.02348	2.0
127.03920	10.6
128.06181	0.9
131.04942	2.8
133.10080	1.0
135.04408	1.5
139.03905	44.2
140.04262	1.1
141.01836	1.1
141.06998	1.4
142.86990	0.9
143.03369	1.6
145.02840	1.2
145.06459	2.4
145.10223	1.3
147.04453	3.3
149.02351	5.9
151.03920	2.5
153.01833	29.0
153.02861	1.3
157.06485	1.3
159.04448	3.8
161.06017	1.2
163.03978	6.6
167.03413	2.7
167.04816	1.1
169.06471	1.1
171.04453	2.7
173.02397	1.2
173.06062	1.9
175.03943	2.6
177.01865	2.5
177.05449	8.8
179.03404	4.5
183.04431	2.5
185.06039	2.4
187.03926	2.6
189.05498	2.1
191.03383	11.3
193.04927	1.9
197.06073	2.3
199.03905	4.2
201.05434	4.2
205.04944	5.8
211.03864	1.3
213.05499	3.8
215.03458	1.5
217.04997	2.6
219.02901	7.5
219.06529	1.3
225.05389	2.2
227.03500	4.9
229.04912	7.1
231.06615	1.6
233.04469	1.5
237.03940	1.9
241.05066	5.1
243.02916	2.0
243.06589	1.7
245.04506	4.0
247.06096	2.8
253.04872	1.1
255.02837	4.8
257.04407	4.1
259.06012	2.2
261.03946	16.4
263.05487	2.6
269.04318	4.5
271.05984	5.6
273.03918	17.4
275.05435	5.7
279.12457	2.1
285.03964	11.6
287.05441	7.7
289.07016	2.1
297.03989	6.1
303.04996	100.0
304.05328	1.5
305.81226	1.0
315.04999	54.9
349.06973	1.3
405.06012	3.0
423.07123	10.4
441.08191	5.6
441.20926	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	441.0814
Annotation	6a,12b-Dihydro-3,10,11,12-tetrahydroxy-6-(3,4,5-trihydroxyphenyl)-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one
Peak:m/z	Relative Intensity
51.02390	0.2
55.01875	0.8
65.03932	0.6
67.05499	0.2
68.99789	2.4
69.03426	0.3
69.92643	0.5
69.93059	0.4
70.06592	0.2
70.45670	0.1
73.71130	0.1
74.73125	0.2
79.01846	0.5
79.05474	0.3
81.03404	0.3
85.02892	0.3
91.05435	0.2
97.02885	0.4
103.05444	0.2
105.07033	0.2
107.01321	0.3
107.04958	0.3
109.02868	0.4
111.00787	0.3
111.04450	0.4
115.05455	0.3
117.07026	0.3
119.04957	0.2
121.02876	1.6
123.04423	0.5
124.07594	0.5
125.02311	0.8
127.03927	1.9
129.06982	0.3
131.04950	0.7
133.02841	0.6
135.04375	0.2
137.02315	0.3
137.05913	0.2
139.03903	8.5
143.03389	1.5
145.06474	0.6
146.52730	0.2
147.04422	0.7
149.02345	2.0
149.05927	0.3
150.03093	0.5
151.03891	0.4
153.01822	15.1
155.04915	0.6
157.06462	0.3
159.04410	1.2
161.05989	0.4
163.03893	1.5
165.01823	0.6
165.05484	0.2
166.14487	0.1
167.03412	0.3
169.06439	0.2
171.04424	0.7
173.02386	0.5
173.05972	1.3
175.03883	0.5
177.01839	0.6
177.05490	1.9
178.02650	0.3
179.03487	0.9
183.04382	0.9
185.05995	0.6
187.03929	1.4
189.05446	0.5
191.03392	2.8
193.04961	3.4
197.05923	0.5
199.03899	0.6
201.05476	1.6
203.03383	0.3
203.56496	0.2
205.04953	1.8
211.03874	0.3
212.04556	0.2
213.05420	0.8
215.03351	1.4
217.05011	0.6
219.02882	1.5
225.05376	0.2
227.03447	0.9
229.04938	3.4
233.04457	0.4
234.05241	0.5
237.03900	0.5
239.03221	0.3
241.04980	0.7
243.02982	1.0
243.06561	0.3
245.04514	0.9
247.06000	0.8
253.04971	0.2
255.02960	0.8
257.04468	2.3
259.06042	0.4
261.03922	2.7
263.05472	0.5
269.04529	0.7
271.06097	0.5
273.03918	2.7
274.04837	0.2
275.05350	0.8
277.10910	0.2
285.03937	2.1
286.04517	0.2
287.05496	1.3
297.03928	0.9
302.04092	0.2
303.04977	100.0
304.05246	1.8
315.04953	8.4
391.12003	0.2
405.06021	0.4
423.07053	1.7
441.08041	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0814
Annotation	6a,12b-Dihydro-3,10,11,12-tetrahydroxy-6-(3,4,5-trihydroxyphenyl)-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one
Peak:m/z	Relative Intensity
52.47201	0.6
55.01867	2.5
57.05114	0.6
65.03934	0.8
66.16672	0.5
67.05479	0.9
68.99787	5.4
69.03424	1.4
69.07063	0.8
70.06564	0.8
77.03960	0.5
79.01847	1.2
79.05483	1.0
81.03391	1.2
81.07034	1.2
85.02896	1.4
86.09705	0.7
93.07010	1.0
95.04966	0.8
97.02882	1.2
103.05439	0.9
105.07024	0.8
107.04948	0.9
107.08572	0.6
109.02853	1.4
109.10142	0.8
111.00782	0.6
111.04432	1.8
117.07019	1.1
119.08527	0.6
120.08108	0.6
121.02868	1.5
121.06490	0.8
121.10138	0.6
123.04397	1.4
124.49200	0.5
125.02390	1.1
127.03905	8.9
129.07047	0.8
131.04900	2.8
133.02820	0.5
135.04405	1.3
135.20317	0.5
137.05974	3.9
138.26866	0.5
138.28130	0.5
139.03899	39.8
141.01826	0.9
142.69104	0.5
143.03387	2.3
145.02786	1.0
145.06474	2.3
147.04401	2.1
149.02345	6.6
149.05992	1.1
150.03079	0.6
151.03925	1.3
153.01820	19.7
153.02841	0.7
153.55206	0.5
155.04956	1.6
155.88750	0.5
157.06450	1.8
159.04384	2.9
161.05972	0.6
163.03929	5.3
163.07547	2.2
165.01775	1.1
167.03372	1.1
169.06425	0.7
171.04378	2.7
173.02309	1.1
173.06001	1.9
175.03839	3.1
177.01828	3.5
177.05463	8.5
179.03387	2.9
183.02975	1.0
183.04413	2.0
185.05952	2.2
187.03842	2.2
189.05463	1.2
191.03381	11.6
193.05008	1.5
195.04462	0.6
197.05956	1.0
199.03938	2.6
201.05453	4.0
203.03401	1.0
205.04980	5.7
205.08647	0.9
211.03859	1.1
213.05545	3.6
215.03416	2.3
215.34084	0.6
217.04977	2.2
219.02922	5.7
225.05486	1.1
227.03458	4.2
229.03133	0.7
229.04996	6.5
231.06404	0.9
233.04524	1.0
237.03912	2.3
241.04942	4.0
243.02908	1.3
243.06552	1.5
245.04420	3.6
247.05986	3.1
253.04906	0.9
255.02867	3.8
257.04535	3.2
259.05997	1.5
261.03915	13.4
263.05487	1.7
269.04407	3.2
271.05981	3.1
273.03906	14.6
275.05417	3.9
285.03949	8.4
287.05573	7.0
289.05246	2.4
293.04431	0.8
297.03903	5.6
303.04971	100.0
304.05145	1.4
311.05597	0.6
315.04959	42.8
316.05319	0.6
319.05890	0.6
335.09204	1.0
349.07422	0.7
405.05887	1.5
423.07092	7.7
441.08322	4.5
441.16574	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	440.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	9.5
55.05515	8.5
57.03437	20.1
57.07054	1.3
59.04990	2.3
61.02926	17.6
67.05496	5.8
69.03426	37.9
69.07069	57.4
70.29616	5.8
71.01347	6.1
71.04992	1.6
73.02916	90.8
76.06855	1.4
80.28442	1.3
81.03410	8.5
81.07063	4.1
83.04958	2.1
85.02905	100.0
85.06551	1.8
86.03233	1.5
87.04465	4.3
91.03951	2.9
91.05503	2.6
93.07040	3.3
95.04974	3.3
97.02890	59.2
99.04461	4.7
103.03943	5.2
105.07028	3.8
106.46616	1.4
107.08624	1.9
109.02884	11.7
109.10159	1.6
110.95544	1.3
111.04430	1.8
111.11718	22.9
115.03925	31.0
119.04928	1.9
119.08587	1.7
121.10128	1.4
123.04396	1.8
127.03918	31.2
130.23277	1.4
131.08571	1.9
133.04962	29.3
139.03891	2.4
145.04961	39.6
147.04350	1.9
147.11626	2.4
149.06000	1.5
150.07584	1.6
151.03874	1.4
151.11169	1.5
153.01859	2.7
163.06027	15.6
165.66463	1.3
193.04962	4.0
199.06032	1.5
207.13853	2.0
211.00293	1.3
223.06023	6.8
225.14868	2.2
230.96880	1.4
235.09598	1.9
241.07007	9.5
243.15974	1.5
259.08054	7.0
262.18658	2.7
266.13644	2.0
269.12646	1.7
277.10715	3.9
295.10049	2.2
301.10852	3.3
315.13303	7.6
319.11868	2.4
359.72995	1.5
440.23395	25.2
441.24490	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	440.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.8
56.42500	1.0
57.03442	3.2
57.07077	21.5
62.06090	21.4
67.05505	5.1
69.07068	4.1
69.95284	5.6
71.08632	15.1
71.83836	0.9
81.07070	6.2
81.07478	1.0
83.08630	3.6
85.10191	8.8
89.06044	1.7
95.08612	8.3
98.20740	1.0
98.98471	4.7
109.10159	4.3
124.01608	1.2
142.02609	1.3
142.03876	1.0
147.36368	1.1
149.03915	1.0
155.01013	7.9
198.05249	1.5
216.06363	1.5
225.22176	2.1
268.26285	10.2
299.25803	100.0
300.26147	3.5
379.22473	4.5
422.26437	1.3
425.57907	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59173	2.5
57.07076	23.5
58.36571	2.5
66.96571	2.7
67.05505	2.8
70.84030	3.5
70.84370	4.9
71.08632	21.5
73.06564	3.9
76.08215	2.5
81.07079	3.2
83.08647	3.3
85.10169	24.3
87.04453	3.3
89.06031	100.0
91.95348	2.3
97.10140	2.6
105.07101	2.7
107.07056	4.2
130.08617	2.4
133.08601	47.9
141.16403	3.5
151.09563	2.2
158.09731	3.0
177.11220	17.8
195.12236	3.2
199.96072	2.3
229.21646	4.2
283.17603	13.1
320.12613	2.5
332.03488	2.5
379.30423	2.7
386.71591	2.7
423.33041	14.0
439.11987	2.9
440.36664	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	440.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40638	0.2
55.01660	0.3
55.01876	2.8
55.05500	0.3
63.44687	0.3
67.05491	0.5
69.03414	0.7
69.07060	2.3
69.78135	0.3
70.06577	0.5
70.62928	0.5
73.02919	0.4
79.05495	0.5
81.03397	0.3
81.07062	0.7
85.02900	0.8
85.06543	1.4
86.06074	0.4
86.06866	0.3
91.05488	0.4
93.07059	0.5
94.06548	0.6
95.04926	0.4
95.08613	0.6
97.02866	0.5
97.06516	0.5
99.04465	0.3
99.08071	1.0
105.07046	0.7
105.41395	0.3
107.08602	0.3
108.04475	0.7
109.10152	0.6
112.07604	0.6
119.08543	0.5
120.08114	0.4
121.06508	0.4
121.10197	0.4
122.05997	0.4
127.03825	0.4
133.10080	0.5
133.88927	0.3
140.07074	2.3
143.08467	0.3
146.05956	0.4
147.06783	0.3
147.11676	0.4
148.07576	3.4
150.05463	0.3
168.06593	2.9
170.09663	0.4
174.05473	0.9
174.09172	0.3
198.09154	0.8
199.08656	3.6
201.16470	0.5
203.09428	0.3
210.09177	0.8
212.09392	0.5
213.10240	0.9
214.10968	0.8
215.11835	0.8
224.10701	0.5
225.10197	3.7
226.08635	1.6
227.08171	1.7
227.11797	2.6
241.09749	0.7
241.13385	0.4
242.10448	0.6
243.11421	1.4
243.13533	0.3
252.10184	0.9
255.11287	14.8
256.11594	0.6
260.20972	0.6
263.88318	0.3
269.12866	4.2
280.09744	0.4
284.05209	0.3
287.13766	0.6
297.12314	5.7
315.13379	100.0
316.13712	2.2
359.90714	0.3
391.39523	0.3
440.22806	1.0
441.24554	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2179
Annotation	Gymnastatin D
Peak:m/z	Relative Intensity
53.03928	0.3
55.01672	0.3
55.01873	2.8
55.05493	0.5
61.02891	0.4
66.92992	0.3
67.05460	0.5
69.03407	0.6
69.07072	1.7
69.23741	0.3
70.03744	0.4
73.02906	0.5
76.89223	0.3
81.07039	0.7
85.02885	1.3
85.06547	1.6
91.05453	0.3
93.07033	0.6
95.08611	0.5
99.08099	1.1
100.08431	0.7
105.07008	0.8
107.08569	0.4
108.04440	0.4
112.07603	0.3
114.65691	0.3
122.06057	0.7
123.04363	0.4
125.09612	0.4
133.10051	0.5
140.07036	3.0
145.40565	0.3
146.06046	0.5
147.11705	0.7
148.07547	3.0
148.11958	0.7
149.52841	0.3
153.01790	0.4
157.10121	0.5
160.07520	0.5
168.06555	3.0
174.05441	0.8
185.08112	0.4
198.09142	0.8
199.08688	3.4
200.09105	0.3
210.09158	0.3
212.09383	0.7
213.10251	1.2
213.13658	0.3
214.10934	0.6
215.11772	0.9
224.10732	0.6
225.10197	3.7
226.08632	1.2
227.06190	0.3
227.08125	1.6
227.11700	2.3
241.09767	0.4
242.10513	1.0
242.19859	0.5
243.11287	1.3
252.10127	0.8
255.11296	14.7
256.11530	0.4
260.20911	0.8
269.12833	4.1
287.13849	0.5
297.12335	5.8
303.05099	0.5
308.90146	0.3
315.13364	100.0
316.13699	3.2
440.22943	1.3
441.24490	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	17.0
57.07064	7.5
67.05505	18.6
69.07072	22.5
70.76482	7.7
70.76849	7.5
79.05472	9.3
79.13416	4.0
81.07040	36.6
83.08618	9.8
89.06006	14.1
89.96687	2.9
90.06366	4.5
91.05461	11.9
92.06480	3.1
93.07034	35.6
95.08600	74.9
96.56707	3.7
97.10143	7.2
105.04529	3.2
105.07028	29.9
107.08595	53.1
109.10145	44.8
111.11700	4.2
119.08575	59.8
121.10137	46.0
123.11696	18.0
131.08563	5.3
133.08582	9.3
133.09169	3.8
133.10121	49.4
134.08960	3.3
135.11685	26.7
135.73462	3.2
137.13235	12.8
145.10103	9.1
147.11690	39.1
149.13252	29.6
153.09084	6.9
159.11667	7.8
161.13228	23.2
163.14825	25.6
173.13283	4.2
175.14861	17.2
177.16382	18.8
187.14740	4.0
189.16379	43.0
191.17928	91.4
201.16324	7.5
203.17946	100.0
205.19539	25.1
209.15256	4.6
213.16412	4.7
215.17957	15.0
217.19461	16.6
227.17996	3.9
229.19450	4.3
231.21040	5.5
235.16893	5.8
240.15292	4.1
243.21172	4.9
245.22630	5.1
247.17009	6.3
249.18492	14.3
253.45435	3.7
261.18552	7.9
301.52972	3.7
352.79391	4.1
393.35037	14.1
396.25165	3.5
421.34833	4.5
439.35858	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	439.3569
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.03946	3.7
55.05507	14.9
55.26559	2.6
57.07065	7.5
67.05502	28.2
69.07066	22.1
70.06564	3.4
70.72409	8.4
71.08629	2.7
73.59449	2.2
76.87820	2.5
79.05489	17.3
81.07053	55.5
83.04948	4.4
83.08618	8.9
91.05461	18.8
93.07042	45.1
95.04923	3.5
95.08604	100.0
97.06558	3.9
97.10166	5.4
98.09690	3.1
100.11234	4.6
105.07032	39.2
107.08595	63.9
109.06543	5.7
109.10154	51.8
111.08067	17.3
117.07061	8.3
119.08575	55.7
119.09365	4.6
120.77168	2.4
121.10146	53.0
121.57063	2.5
123.08061	6.5
123.11703	16.9
125.09637	6.7
129.07007	3.1
131.08575	18.2
133.10136	50.4
135.08086	3.5
135.11678	35.3
136.43480	3.1
137.09639	10.6
137.13220	5.8
139.11159	7.1
143.08563	7.9
145.10118	38.8
147.11679	41.3
149.09630	5.7
149.13274	30.3
151.11180	4.4
156.09265	3.1
157.10164	13.5
158.10764	2.7
159.11700	37.1
161.09656	2.9
161.13239	31.0
163.11256	3.2
163.14853	11.3
165.12781	6.2
168.13800	2.7
170.10997	3.1
171.11691	10.8
173.13280	22.0
175.14784	20.0
177.12805	6.6
177.16373	13.8
182.15495	4.6
183.11743	5.8
185.13275	10.0
187.14806	15.9
189.16379	20.4
191.14323	4.2
191.17958	7.7
193.15883	2.7
199.14857	12.1
201.16399	28.8
203.14301	5.0
203.17880	14.8
205.15898	11.5
205.19569	2.5
207.17329	4.6
210.14763	3.5
211.14767	3.6
213.16385	5.4
215.17880	15.5
217.15939	3.5
217.19537	7.0
219.17444	18.2
225.16373	4.7
227.17903	6.4
231.17450	5.6
233.18968	9.8
237.16222	3.7
243.21202	3.4
245.19048	7.6
253.19470	4.7
255.21098	3.2
259.20609	2.9
261.22476	4.2
273.22089	5.8
285.22089	5.5
363.30737	3.7
381.31552	7.1
395.16956	2.7
403.33429	6.3
409.34851	4.2
421.34760	38.1
439.23669	3.2
439.35858	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	439.3569
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.01934	2.0
53.03955	2.2
53.53851	1.8
54.61676	1.8
55.05505	16.0
56.51460	1.9
57.07067	5.1
59.04992	2.1
59.37396	2.2
67.05505	37.7
69.07063	25.7
70.29897	2.3
71.05004	2.2
79.05492	24.9
81.07054	58.7
83.04982	3.2
83.08614	13.0
91.05486	29.2
93.07040	44.1
95.04963	4.4
95.08607	100.0
97.06477	2.4
97.10160	6.6
98.97620	3.5
99.03848	2.3
105.07027	54.3
107.08597	70.7
109.10156	73.7
111.08084	22.3
117.07014	8.7
119.08584	71.4
121.06454	3.5
121.09312	4.5
121.10144	52.2
123.08110	4.2
123.11732	18.0
125.09641	6.6
129.07021	3.1
131.08563	17.9
133.10127	59.3
135.08075	3.7
135.11682	32.0
137.09615	5.7
137.13237	7.3
139.11162	3.7
143.08563	7.8
145.10123	37.4
147.11691	38.3
149.13260	32.8
151.11229	5.0
155.08623	2.3
157.10104	13.9
158.10896	3.0
159.11702	40.1
161.13258	35.0
163.11143	4.5
163.14793	13.8
165.12807	4.6
169.10193	5.4
171.11658	10.3
172.89223	2.2
173.13271	25.1
175.14832	23.1
177.12769	4.3
177.16402	16.5
179.14262	2.7
183.11707	5.5
185.13202	10.3
187.14815	16.3
189.16365	25.9
191.06949	2.4
191.17969	10.9
193.15889	4.4
197.13287	4.9
199.14836	8.8
201.16403	36.8
203.17940	27.9
205.14223	2.2
205.15880	13.6
205.19598	4.0
205.97305	2.5
207.17459	4.8
211.14902	5.4
213.16435	8.4
215.17981	23.0
217.15910	4.2
217.19501	11.1
219.17441	16.7
227.17845	3.3
229.19604	6.7
231.17502	4.0
233.18988	9.5
237.16348	2.2
239.17979	3.6
241.19495	3.9
243.17488	2.7
243.21062	7.1
245.19031	4.9
253.19467	3.6
255.21111	3.1
259.20599	3.6
269.22733	2.2
273.22012	2.9
281.22656	2.2
285.22055	4.2
307.23819	2.7
309.25763	2.3
313.25131	2.9
335.27182	2.4
351.30344	3.5
381.31598	5.0
393.35059	4.4
403.33649	5.1
421.34677	37.6
439.35696	82.8
440.18689	3.4
440.35669	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	439.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.3
55.05511	13.2
57.07072	5.1
63.29987	2.4
67.05505	32.0
69.03436	2.6
69.07069	22.7
71.58348	3.7
79.05487	20.5
81.03445	3.1
81.07056	64.6
83.04977	6.6
83.08601	15.2
85.02899	5.2
91.05488	22.5
93.07037	44.5
95.04954	7.2
95.08607	100.0
97.02917	4.4
97.06535	5.8
97.10162	3.6
105.07026	47.0
107.04974	14.5
107.08587	58.0
109.02898	3.6
109.06491	6.1
109.09463	4.6
109.10159	64.4
111.08077	22.6
117.07006	7.7
119.08579	59.5
120.08074	2.5
121.06492	6.8
121.10132	47.6
123.08038	4.7
123.11707	22.1
125.09655	5.5
127.03863	3.4
131.08565	16.7
133.10126	51.1
135.11673	33.4
135.86304	2.7
137.05977	5.7
137.09615	5.9
137.13242	8.7
139.03911	5.7
139.11157	5.0
143.08563	8.3
145.10121	40.6
147.04352	3.7
147.11670	40.9
149.13248	25.5
151.03899	6.7
151.11201	6.8
153.01831	18.6
155.08536	4.2
157.10143	11.7
159.11691	36.8
161.09569	4.1
161.13277	30.1
163.11162	3.9
163.14856	16.0
165.01730	2.5
165.12714	4.4
169.10100	3.1
169.75629	2.3
171.11679	9.3
173.13257	23.4
175.14803	23.2
177.12749	5.1
177.16364	13.9
183.11682	3.7
185.13277	9.8
187.14835	12.7
189.16371	20.8
191.14301	3.7
191.17998	12.6
193.16005	2.6
197.13271	4.5
199.14859	12.4
201.16371	26.0
203.14282	3.3
203.17938	22.7
205.15936	12.6
207.17473	4.8
211.14705	4.6
213.16396	7.5
215.17900	19.3
217.15916	4.6
217.19484	7.8
219.17430	17.8
221.19028	3.5
225.16412	2.8
225.33263	2.7
227.17982	5.2
229.19637	3.4
231.17473	5.0
233.18991	7.3
241.19574	3.0
243.21146	4.5
245.19008	7.5
255.21150	5.0
265.19421	3.6
267.21207	6.0
269.22690	3.4
271.09613	5.9
271.20404	4.1
273.22095	5.0
285.22003	5.9
287.05493	73.1
288.05820	9.2
299.23706	3.9
319.07956	4.5
335.10193	2.8
356.05716	3.0
381.31567	5.6
395.16568	3.8
403.33618	3.7
409.34662	7.1
421.34683	33.2
439.06522	15.9
439.15762	12.6
439.22705	11.8
439.35696	70.9
440.36240	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3569
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
52.37240	2.0
55.05511	10.1
57.07074	4.6
67.05502	25.3
69.07071	20.6
70.02782	9.3
71.08625	2.4
78.94212	2.1
79.05482	14.2
81.06572	4.0
81.07047	43.5
81.87780	1.9
83.04997	3.4
83.08617	8.1
91.05484	18.7
93.07039	49.9
95.04991	4.9
95.08604	100.0
97.06517	8.9
97.10172	4.4
105.07030	38.0
107.08595	62.9
109.06532	4.9
109.10147	41.2
111.08063	13.6
117.07032	5.9
119.08580	58.2
121.10146	46.9
123.11712	21.0
125.09642	5.5
129.10115	2.0
131.08557	22.1
133.10127	44.1
135.11674	32.3
137.09641	3.2
137.13272	6.7
139.11179	18.7
143.08582	8.1
145.10121	33.2
147.11679	33.5
149.13246	27.4
151.11200	5.3
153.12724	3.2
155.08553	2.3
157.10115	14.8
159.11703	32.5
161.13235	31.6
163.11198	3.8
163.14836	11.8
165.12730	3.2
169.10127	3.2
171.11781	10.1
173.13254	22.1
175.14815	26.3
177.12753	7.1
177.16391	19.9
183.11681	5.3
185.13226	10.3
187.14810	20.7
189.16391	12.3
189.30310	2.0
191.14183	4.0
191.17938	6.0
193.15891	4.5
195.17468	3.1
197.13234	4.5
199.14914	9.7
201.16354	25.4
203.14392	3.2
203.17931	14.3
205.15903	6.4
205.19504	3.4
207.17500	5.3
211.14854	2.1
213.16403	8.9
215.17961	27.6
217.15973	3.9
217.19441	9.9
219.17430	13.2
225.16360	7.2
227.17950	14.0
229.19516	5.9
231.17526	5.3
231.21034	2.3
231.93474	2.0
233.19022	5.3
239.17915	2.6
241.19534	4.2
243.17427	2.9
245.19008	18.7
253.19600	4.4
255.21092	4.1
257.19000	4.2
257.22791	1.8
259.20645	4.5
261.22302	3.3
267.21115	4.3
269.22726	4.6
271.20541	6.0
273.22107	8.7
283.20450	2.2
285.22177	6.4
287.23642	2.5
293.22635	2.3
293.64447	2.0
295.24344	2.0
299.23615	4.7
301.25092	2.8
363.30667	2.5
381.31586	7.4
403.33643	3.0
405.75177	2.0
409.34448	3.7
421.34549	30.3
439.35645	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	439.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43060	0.9
55.05514	7.1
56.05022	4.6
57.07059	1.8
58.04078	2.9
59.02495	1.1
60.05650	28.0
61.39425	1.0
63.22638	0.9
67.05177	1.4
67.05507	21.4
69.07075	7.2
71.08618	1.1
72.04512	17.2
74.02396	1.0
74.06077	5.9
76.05126	72.9
79.05492	9.1
81.03436	1.0
81.07055	19.3
82.65842	0.9
83.08611	3.0
84.08110	1.1
85.02911	1.1
91.05463	3.3
91.86976	1.0
93.07054	8.7
93.28646	1.1
95.08614	14.1
97.10149	1.7
99.08043	1.2
102.05528	3.2
105.07022	4.1
106.37895	1.0
107.08607	5.2
109.10145	8.4
110.06023	1.2
111.97798	1.0
112.05083	6.7
118.05022	16.0
119.08626	6.0
120.06566	3.4
121.10104	4.7
123.11704	2.9
129.07784	1.1
131.08482	1.8
131.09328	2.6
133.10146	3.6
135.07651	1.8
135.11687	3.9
137.13257	1.3
147.11655	3.8
149.13286	2.0
159.08806	5.1
159.11766	1.6
160.07185	13.9
161.13229	2.0
163.14754	2.0
175.14760	1.4
177.09813	24.8
179.42020	1.0
184.07289	1.3
189.16405	3.6
191.17972	4.6
203.17972	8.4
205.19475	1.3
217.19527	0.9
227.90724	1.1
249.18669	1.5
290.24768	3.8
318.27933	12.9
354.64319	1.0
364.28467	100.0
365.28928	3.2
372.78433	1.0
391.30466	1.7
439.32770	59.7
440.33011	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64777	0.8
53.03937	3.0
55.01880	1.8
55.05507	16.6
56.96576	1.2
57.03432	7.5
57.07058	1.5
59.04998	4.5
63.35027	0.8
65.03946	2.3
67.05504	100.0
68.18625	0.8
69.03431	3.0
69.07056	6.7
71.05005	4.7
71.58637	1.0
79.05492	14.2
81.03418	27.9
81.07056	25.3
83.04979	6.0
83.08613	16.9
85.02906	17.7
85.06561	3.3
91.05476	19.9
93.07043	13.4
95.04958	13.1
95.08596	11.2
97.02902	2.2
97.06539	2.9
97.10175	1.8
98.97545	1.4
99.04463	0.9
99.08098	0.9
105.07030	11.4
107.04962	3.1
107.08601	7.7
109.02851	0.9
109.06521	2.9
109.10152	70.4
110.10512	1.5
111.04464	0.8
111.08091	9.4
113.06029	2.1
115.05482	0.9
117.07068	1.9
119.08581	13.3
120.90487	0.9
121.10147	6.0
123.04459	1.1
123.08044	1.4
123.11729	1.4
125.09619	1.4
129.07022	5.5
131.08566	6.2
133.06541	1.3
133.10155	5.2
135.08043	1.2
135.11720	1.3
137.06064	0.9
137.09605	4.3
142.07726	1.3
146.08086	1.2
147.08072	1.0
147.11679	8.0
149.09637	3.8
155.08614	1.1
155.10709	3.7
157.10136	6.4
163.11201	1.0
165.09102	0.9
165.12784	2.0
173.11751	18.9
175.11160	7.4
193.12225	33.5
211.13278	32.6
211.15250	1.4
229.14421	1.8
242.05853	1.1
267.09076	1.2
267.16083	2.9
285.10239	2.0
439.10529	5.6
439.27032	45.8
440.27545	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.0
55.01882	1.9
55.05513	15.6
56.96576	2.2
57.03423	5.1
57.07064	1.3
59.04996	3.2
65.03925	3.3
67.05503	100.0
69.03418	3.1
69.07073	6.5
71.04984	4.7
79.05492	15.5
81.03419	28.1
81.03865	2.5
81.07052	28.5
81.07520	1.8
83.04980	6.9
83.08630	15.6
85.02908	16.2
85.06545	3.7
91.05476	24.7
93.07040	15.6
95.04958	14.2
95.08598	11.4
97.02887	2.2
97.06503	2.3
97.10165	3.3
99.08079	1.4
100.47050	1.1
105.07035	13.8
107.04955	2.9
107.08588	5.6
109.06528	3.2
109.10155	67.5
110.10519	1.4
111.08077	9.5
113.06046	2.0
114.12891	1.2
117.07025	1.3
119.08568	15.9
121.10133	5.8
123.11691	2.5
125.09657	2.3
129.06995	5.8
131.08580	5.1
133.10117	5.7
135.08046	1.7
137.09630	4.3
143.08504	1.6
147.08078	1.9
147.11687	9.6
149.09613	2.9
155.10623	3.4
157.10132	5.9
165.12712	2.7
173.11749	15.6
175.11163	8.1
193.12247	30.6
211.13275	29.8
229.14195	1.5
229.59502	1.4
249.10185	1.4
267.15967	2.6
285.10162	1.8
317.60654	1.2
327.43463	1.4
358.16391	2.4
367.18274	1.4
407.58856	1.4
421.26028	1.8
439.26950	38.0
439.69357	1.8
440.27380	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	439.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.01870	2.3
55.05511	13.0
56.34939	0.7
56.96564	1.3
57.03435	7.7
57.07040	1.0
59.05009	4.6
61.02935	0.9
65.03933	2.7
65.51904	0.8
67.05506	100.0
68.05840	1.5
68.91290	0.8
69.03427	3.1
69.07073	7.8
69.38407	0.8
69.38722	8.8
71.05000	5.6
73.02899	0.9
79.05063	1.2
79.05496	14.6
81.03418	29.5
81.07056	28.8
82.06567	1.6
83.04990	4.8
83.08618	17.4
85.02908	19.4
85.06547	3.7
91.03986	0.9
91.05486	19.5
93.07041	11.8
95.04979	14.6
95.08610	9.7
97.02891	3.3
97.06535	2.3
97.10161	2.7
99.08107	1.3
100.07635	1.7
101.02298	0.9
105.07036	14.0
107.04978	2.8
107.08596	8.0
109.06555	2.3
109.10157	65.5
111.04444	2.0
111.08081	8.5
113.06019	1.4
115.05405	1.1
117.06963	1.4
119.08578	14.4
121.06497	1.2
121.10147	6.2
123.08060	1.7
123.11727	1.2
125.09637	0.9
129.07030	5.3
131.08571	5.7
133.06493	1.5
133.10114	6.9
135.08101	1.3
135.11658	1.3
137.09630	2.9
142.07747	1.7
145.70628	1.0
146.08138	1.8
147.08121	1.3
147.11696	7.4
149.09660	3.5
155.10683	3.1
157.10141	6.9
165.09122	1.5
165.12794	3.2
173.11749	14.5
175.11176	9.3
189.16431	1.0
193.12254	34.6
211.13293	32.1
212.13722	1.1
229.14386	2.4
244.80989	1.0
267.09198	1.9
267.15884	1.4
270.12485	1.1
285.10159	1.3
421.25604	1.6
434.38297	1.0
439.10413	1.6
439.26959	39.4
440.26981	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2303
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
55.05506	0.8
56.89556	0.4
67.05507	1.6
69.03431	0.8
69.07064	1.2
70.10397	2.3
72.04510	0.7
79.05486	1.0
81.03423	0.7
81.07063	1.9
83.04994	0.7
83.08604	0.5
84.08137	0.6
88.02210	0.6
90.06178	0.4
91.05499	1.7
93.07059	1.1
95.08636	1.0
97.02899	0.7
97.06546	0.7
98.20695	0.5
98.98489	0.6
99.04424	0.5
99.08129	0.4
99.45575	0.4
100.11297	0.5
104.18282	0.4
105.07034	1.9
107.08573	0.8
109.10152	1.0
117.07019	0.6
119.08600	1.2
121.06540	0.6
121.10136	0.9
123.04465	1.3
123.11660	0.6
131.08556	0.7
132.04768	0.7
137.05965	0.5
139.03943	1.0
145.10066	0.6
147.04416	1.1
147.11690	1.3
151.03906	0.6
153.54689	0.5
165.12775	0.8
179.07126	0.6
182.15450	0.6
203.05251	0.9
210.14957	0.5
248.91383	0.5
259.16681	0.7
261.12698	3.8
267.15994	0.5
277.17789	1.1
285.07446	0.5
285.17099	0.7
315.13235	0.7
325.27151	0.5
367.17502	3.0
369.18765	1.5
439.23053	100.0
440.23450	4.5
458.08188	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.7
55.05497	0.5
65.16384	0.5
65.42964	0.4
66.38094	0.4
67.05505	1.2
69.03423	0.8
69.07059	1.2
70.76412	1.3
74.24857	0.4
79.05497	1.1
81.03429	0.7
81.07049	1.5
85.02888	1.0
91.05473	1.2
92.37045	0.4
93.07041	1.5
95.01093	0.6
95.04926	0.7
95.08604	0.8
97.02883	0.7
99.44025	0.4
105.07042	1.3
107.08575	0.9
109.06492	0.5
109.10175	0.7
113.02168	0.6
115.73643	0.4
115.77103	0.4
117.07033	0.4
119.08611	1.1
122.04485	0.4
123.04453	0.5
127.03728	0.8
131.08553	0.5
133.10149	0.5
139.03876	1.4
145.10097	0.9
148.07596	0.7
153.01834	1.0
157.10139	0.6
161.09615	0.7
163.07579	0.7
165.09116	0.6
169.04662	0.8
177.05350	0.5
191.07037	1.3
199.08691	0.5
203.05315	2.6
209.08105	1.0
255.11273	2.3
259.16782	1.7
269.12875	1.1
277.17831	1.7
297.12161	0.5
301.14197	0.6
302.33978	0.4
315.13406	17.3
315.17154	0.9
319.15359	1.4
369.18896	3.7
439.23068	100.0
440.23434	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
62.87397	0.6
65.49178	0.7
70.06590	0.8
70.83041	0.9
70.83362	1.3
79.63708	0.6
79.64159	0.6
84.01867	0.7
86.09687	1.1
95.01063	2.0
96.01861	0.9
113.02130	2.2
123.04415	1.4
153.01958	0.8
157.04689	1.0
185.04207	3.6
201.03760	1.0
202.06041	2.0
203.05272	0.8
259.07944	0.9
332.07477	0.9
439.15765	100.0
440.16098	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	439.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.9
57.03418	1.7
57.07070	1.5
59.82915	1.4
67.05505	5.3
69.03423	5.6
69.07054	2.9
70.94640	4.2
78.53349	1.6
79.05502	7.9
81.03404	3.6
81.07052	8.2
83.04961	2.4
85.02905	4.4
88.85389	1.4
91.05466	9.8
92.76208	1.6
93.07025	6.4
95.04961	5.7
95.08621	2.5
97.06525	1.5
103.05379	1.5
105.07016	12.0
107.04946	3.0
107.08598	20.8
109.02901	1.8
109.06505	3.7
109.10152	8.6
115.05475	2.4
117.07054	2.8
119.08566	5.1
121.06509	3.4
121.10126	11.8
122.07279	6.6
123.04408	4.0
123.08090	3.8
127.03912	4.7
129.07077	1.8
131.08548	4.3
131.50957	1.4
133.10126	100.0
134.10445	2.9
135.08057	8.5
135.11742	1.9
137.09610	52.2
142.24870	1.5
145.05000	1.4
145.10098	3.0
147.11658	2.9
149.09631	9.2
149.13301	8.0
153.01828	2.0
161.09625	2.1
161.13368	2.2
165.09117	3.1
173.13280	6.0
189.12740	2.6
191.14299	33.5
247.17387	1.5
264.18454	1.7
439.14371	1.9
439.23761	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	439.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36546	1.0
52.86678	1.0
53.03934	1.5
55.05514	3.6
57.03452	1.3
57.07077	2.6
58.91281	1.2
65.03963	1.3
67.05501	9.8
68.99790	1.1
69.03429	6.9
69.07069	4.9
70.06594	1.3
71.04974	1.2
71.58141	1.6
71.58497	1.2
79.05493	7.8
81.03411	2.9
81.07059	15.2
83.04990	4.7
83.08639	2.8
85.02898	4.4
87.00823	1.4
88.83899	1.0
91.05488	10.0
93.07037	12.0
95.04958	5.6
95.08604	15.7
97.02905	3.1
97.06562	1.3
98.09698	2.7
103.05506	1.4
105.01846	1.5
105.07027	14.0
107.04962	3.6
107.08591	25.8
109.06525	3.2
109.10153	15.7
110.06040	1.0
111.04441	1.2
111.08071	2.8
115.05456	1.8
117.07015	3.4
119.08573	13.0
121.06516	2.6
121.10140	16.2
122.07291	4.6
123.08055	3.5
123.11666	3.2
125.09644	1.8
127.03909	2.5
129.07018	1.5
131.08586	4.3
133.06535	1.6
133.10127	100.0
134.10419	2.6
135.04465	1.3
135.08052	5.5
135.11687	5.8
137.05943	3.0
137.09612	44.8
137.13297	1.9
138.10011	1.3
142.12337	1.9
143.08539	2.4
145.10107	6.7
147.11656	7.4
149.09619	8.5
149.13263	10.4
151.11188	1.9
153.01848	1.6
157.10132	1.7
159.11673	7.0
161.09647	1.4
161.13263	5.1
163.11253	1.6
163.14816	4.1
167.06956	1.6
170.11736	1.3
170.15451	1.6
171.01329	1.1
171.11729	2.4
173.13239	9.0
175.14909	2.3
177.16351	1.3
182.15468	1.2
183.11725	1.5
187.11128	1.2
187.14822	3.0
189.16438	3.1
191.07112	1.3
191.14297	31.3
191.17946	1.5
197.13333	1.5
198.14888	2.1
199.14838	1.5
201.12764	1.4
201.16370	5.0
203.14285	1.9
203.17944	2.9
205.15939	2.5
210.14877	2.1
213.16484	1.6
215.17894	2.3
219.17516	1.9
225.16362	1.1
227.17847	1.4
233.19005	1.5
273.14935	1.6
287.05569	7.3
396.28629	1.9
421.18622	1.5
421.34778	5.2
439.06287	1.2
439.14951	1.9
439.23849	5.7
439.35645	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	439.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96288	2.1
56.96560	23.6
58.30703	1.0
67.63735	1.2
69.03416	1.3
70.06590	2.6
71.57783	1.4
71.95253	1.5
84.04497	1.9
84.08138	1.6
84.96035	3.9
85.02888	2.5
97.02887	1.3
98.97581	87.9
110.97559	5.3
116.98618	76.6
121.06551	1.2
128.98602	12.9
129.10228	1.3
131.00179	1.9
134.99654	44.4
136.07600	2.0
139.03902	1.9
140.00208	2.4
143.00133	2.4
144.98064	1.6
145.01698	2.2
146.99664	12.0
147.03271	2.7
147.04393	1.4
149.01224	2.0
152.98671	1.9
153.00703	4.8
153.01822	2.8
158.01248	2.5
158.99652	35.7
160.00053	1.1
161.01195	4.1
161.02776	1.0
162.99155	3.5
163.02751	2.4
165.00734	1.8
165.04356	5.3
170.99660	7.6
171.03305	2.4
177.00708	62.0
179.02312	1.3
181.00223	1.5
187.29628	1.0
189.00754	4.6
189.04320	13.9
195.01709	6.9
200.02287	3.9
201.04364	1.5
207.01620	1.2
207.05321	5.1
219.01756	14.4
227.96396	1.1
231.05411	2.6
233.07146	1.2
234.98990	1.7
237.02815	42.6
248.04512	1.1
249.06473	2.0
255.03902	3.5
257.04608	1.5
260.04398	1.4
290.89066	1.2
291.04276	1.8
291.07501	33.7
307.04697	3.0
309.08560	100.0
310.08945	3.0
332.10159	6.8
349.25150	1.0
351.09604	28.3
389.07574	2.3
421.10086	10.2
439.11258	37.2
440.11407	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.6
57.07076	67.3
69.07068	6.9
69.38890	19.4
71.08628	62.7
71.09005	4.2
75.20056	1.9
81.07013	3.2
85.10179	31.6
85.25742	1.7
87.12576	2.2
89.06028	100.0
95.08561	3.3
97.10154	2.9
98.21568	3.9
98.98576	1.8
99.11726	4.8
107.07059	3.5
111.11748	3.1
113.13302	4.7
125.13213	2.4
127.14836	2.9
128.84497	2.1
130.08638	2.3
133.08598	58.3
144.34656	2.5
151.09669	3.8
177.11186	12.3
195.12332	5.1
239.14897	45.9
311.54968	1.9
421.35287	23.7
438.34503	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00051	1.0
53.03930	2.7
53.81598	1.0
55.01860	3.2
55.05503	1.3
57.03436	2.1
61.02894	1.8
61.74224	1.0
65.03931	1.7
67.05505	12.9
68.72650	1.0
68.99786	1.6
69.03424	10.0
69.07060	1.3
69.78297	2.3
69.78709	5.0
70.06583	1.1
71.04987	5.7
73.02908	2.7
73.73392	1.5
81.03419	11.3
82.55383	0.9
84.04519	1.1
85.02897	21.0
85.06075	1.5
85.06540	20.7
87.00813	8.4
95.04961	31.6
97.02888	11.1
98.20821	1.8
99.04420	5.1
105.01858	7.4
108.04461	2.9
109.02346	1.0
109.02890	11.0
113.05991	4.8
117.01835	1.8
126.05456	1.8
127.03910	17.5
127.07547	16.1
129.01843	1.5
136.06183	1.3
137.01506	1.2
141.04410	1.2
141.05464	28.6
145.04932	5.3
155.07022	100.0
159.01477	0.9
159.02812	5.1
159.06514	2.6
173.08095	34.9
204.10121	1.4
206.38025	0.9
218.88963	1.0
230.06441	1.9
231.05017	2.9
233.20493	1.2
239.93761	1.1
248.07742	1.9
256.06348	1.3
283.36319	1.1
334.72696	1.3
397.99615	1.3
457.92587	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18004	2.9
51.47339	3.2
55.01863	6.1
55.05500	12.8
57.03427	7.8
57.07061	7.5
57.91146	3.0
62.06096	38.3
67.05502	28.8
69.07054	18.9
70.06580	6.9
70.21720	7.6
70.22136	12.3
79.05486	8.0
81.07050	22.9
83.08625	16.8
93.07029	15.1
95.08585	14.5
97.06508	12.2
97.10184	5.1
98.98447	13.8
107.08576	8.2
107.85581	3.9
109.10131	9.5
121.10142	14.1
123.11695	5.8
129.05476	14.3
135.11682	9.4
149.13269	5.1
155.01036	10.0
157.19199	3.4
164.04204	7.3
173.02069	4.0
188.52740	3.3
198.05464	5.0
205.19597	8.7
211.89436	3.7
215.98947	3.4
223.20627	4.6
266.24753	12.4
278.86301	3.3
297.24234	100.0
320.12787	3.5
364.28308	7.9
439.32623	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	438.0853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41148	0.7
55.93520	3.5
61.50195	0.7
67.01861	2.1
68.99783	1.8
69.03426	1.8
70.02975	1.0
70.06583	2.1
71.58026	1.3
72.08149	1.4
74.00649	1.3
81.03432	0.8
81.07053	0.8
84.04475	0.9
84.08139	1.8
85.02904	1.8
86.09710	2.6
88.03996	11.7
95.04972	1.5
95.08566	0.8
97.02890	1.8
107.04975	1.5
109.02886	2.1
111.00846	1.2
113.02351	2.2
115.24702	0.7
119.08521	0.9
120.08115	1.0
121.01099	1.1
121.02835	0.8
123.04458	7.0
127.03868	2.1
129.10217	1.0
136.06233	1.4
137.05974	1.5
139.03935	1.2
148.02155	1.2
149.00542	8.4
149.02315	0.9
153.01823	100.0
154.02161	1.5
163.03897	0.7
165.00023	3.8
167.01579	1.0
169.03169	24.1
171.02927	1.4
176.01646	7.7
180.02394	2.3
181.03204	1.6
193.01822	3.9
193.03415	1.1
194.04483	7.0
195.01140	1.0
195.02834	1.0
197.02644	1.4
205.03159	1.1
207.01167	1.0
208.04269	18.2
222.05899	1.5
230.47113	0.8
232.01884	1.8
233.02621	1.0
239.02463	1.1
240.04956	1.7
243.01080	1.2
254.04816	71.0
255.05145	2.0
259.00586	2.2
259.06082	1.0
260.01385	3.6
268.06403	3.2
269.04715	3.1
271.00583	4.7
275.03787	5.1
286.07446	9.6
286.99966	1.5
287.93546	2.8
288.00806	2.7
291.96817	1.2
293.04785	6.6
299.00058	6.7
301.07156	1.9
316.00293	18.6
317.00900	1.7
321.04236	5.8
331.02692	18.3
331.06592	1.3
333.04245	9.1
349.03671	4.0
355.92548	1.4
356.05795	2.4
373.93201	2.0
387.91403	8.7
391.94534	16.1
392.94919	2.2
396.94882	4.4
405.92465	4.2
414.96191	14.4
415.96594	2.1
420.07645	4.4
437.97791	2.4
438.08353	2.1
438.36600	1.5
439.08871	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	2.6
57.07076	37.3
58.39576	0.7
67.05480	1.6
69.07058	2.4
69.52458	7.4
71.08633	26.2
73.06550	5.8
79.05480	1.0
81.07047	1.5
83.08609	2.2
83.96310	0.9
85.10187	18.7
87.04456	2.8
89.06032	100.0
90.06344	1.3
95.08617	2.0
97.10181	2.4
98.21517	1.8
99.11724	2.8
105.18782	1.0
107.07073	4.6
114.37236	1.2
117.09148	1.9
120.22605	0.8
130.08627	3.1
131.07094	1.0
133.08603	33.9
151.09790	1.6
155.17975	2.0
177.11238	9.4
195.12259	0.9
199.20670	1.2
237.15898	2.6
239.14851	2.0
278.22433	1.1
283.16959	3.2
313.09857	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	16.0
57.07080	9.1
62.01530	5.1
65.00414	5.2
67.05502	32.6
69.07062	24.6
70.33896	13.4
79.05486	20.3
81.03425	9.8
81.07051	59.7
83.08612	15.7
84.84297	5.4
91.05479	28.2
93.07050	38.4
95.04948	6.8
95.08599	77.8
96.96209	4.8
97.10170	8.7
105.07024	39.5
107.08607	45.8
109.06513	7.0
109.10152	43.1
117.07038	10.5
119.08580	78.6
121.10143	37.7
123.11693	22.3
131.08559	38.4
133.10132	57.6
135.11684	25.1
137.13258	17.8
143.08554	7.4
143.15466	6.0
145.10127	42.4
147.11691	23.6
149.13281	18.0
155.40396	5.6
157.10106	13.0
159.11710	29.8
161.13234	17.0
163.14795	9.9
171.11749	11.8
173.13274	17.8
175.14830	24.9
177.16452	9.3
185.13304	6.7
187.14877	15.4
189.16399	21.6
191.17949	45.7
199.14861	13.4
201.16385	100.0
203.17868	35.2
205.19527	7.6
213.16408	16.1
215.17914	13.2
219.17383	6.9
241.19398	8.5
245.15315	10.3
247.16901	22.5
273.18671	6.2
275.20081	9.6
299.20334	6.6
390.10132	6.3
391.33514	21.4
437.34140	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	437.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27179	2.0
55.05497	6.3
56.05021	6.9
58.04079	3.7
60.05365	2.8
60.05648	36.6
67.05508	24.8
69.07054	7.6
70.49545	4.7
70.49940	4.3
72.04523	21.9
74.02435	1.9
74.06078	9.4
76.05124	74.4
79.05483	15.4
81.07050	25.1
81.17008	2.3
83.08608	2.8
85.02908	2.2
88.18860	1.9
91.05477	8.8
93.07024	17.3
95.04949	3.0
95.08594	13.6
102.05524	4.3
105.07017	6.8
107.08597	9.6
109.10126	5.8
112.05067	8.6
115.12511	2.0
118.05009	16.6
119.08564	7.0
120.06609	2.4
121.10137	7.7
123.11692	3.0
130.59140	2.0
131.08499	3.7
131.09358	4.4
133.10124	5.4
144.24716	1.9
145.10107	3.9
147.11693	2.2
156.06493	2.4
159.08749	7.7
159.11707	2.9
160.07198	20.7
169.10056	2.4
177.09818	30.1
210.18602	2.5
234.85623	1.9
288.23251	2.4
316.26230	5.9
362.26892	100.0
363.27145	5.9
386.89658	2.3
409.19003	3.2
437.19223	5.5
437.31180	60.4
451.67822	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.9
55.01866	4.7
55.05512	24.2
57.03446	11.8
57.07056	2.8
65.03934	5.9
67.05503	94.7
69.07073	16.6
71.04986	6.3
71.21485	1.7
71.59150	2.8
77.03889	2.4
79.05494	70.4
81.03404	6.9
81.07055	100.0
83.04973	6.9
83.08629	11.5
85.06544	9.0
91.05477	54.8
93.07042	59.6
95.04951	13.6
95.08605	37.9
97.06532	5.1
97.10130	4.8
105.07030	32.2
107.04950	3.0
107.08578	29.5
109.06510	4.4
109.10158	18.0
111.08071	6.2
111.51852	1.9
117.06981	11.9
119.08593	22.5
121.10139	30.5
123.08038	2.7
123.11710	9.4
125.09644	4.4
129.06979	3.9
131.08557	18.2
133.10126	22.2
135.08080	3.0
135.11685	18.5
143.08508	2.6
145.10101	9.5
147.11725	7.4
149.13264	14.4
149.42363	2.2
159.11658	10.5
161.13254	4.6
163.11174	4.2
171.11757	2.6
175.14810	3.5
177.12802	3.3
185.13182	3.7
187.13228	4.8
190.63071	2.0
195.13852	3.2
199.14954	2.1
209.11690	2.0
220.06784	2.2
227.12828	3.0
231.06557	2.3
259.20563	9.0
275.20026	3.3
333.24146	4.2
347.80051	2.2
355.26700	2.3
437.19556	42.1
437.24899	9.3
437.29108	11.1
438.19635	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1441
Annotation	Pterosupin
Peak:m/z	Relative Intensity
53.03931	0.7
55.01860	1.3
58.87991	0.7
70.90915	0.6
79.05479	0.9
85.02900	2.0
95.04961	1.5
105.07058	0.7
107.04952	100.0
108.05312	1.5
109.02843	1.4
119.96723	0.7
121.06521	0.8
127.03938	0.8
139.03899	2.8
140.94855	0.7
147.04443	0.9
149.06021	1.7
151.03923	3.2
163.03920	1.6
165.05568	1.0
169.04935	0.8
175.03906	1.3
178.25075	0.6
181.04956	4.2
187.03871	1.1
193.04964	7.5
205.04993	1.9
207.06488	1.2
211.06020	5.5
217.04892	0.9
219.06770	0.7
229.04933	1.0
230.12373	0.8
235.06017	7.6
247.06044	2.9
259.06146	3.3
275.09189	2.0
277.07047	1.3
287.09106	4.3
299.09195	2.8
317.10178	5.2
341.10245	6.9
353.10254	7.3
365.10413	3.3
383.10959	1.5
401.12311	1.5
437.21591	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41493	0.2
56.05033	0.3
56.96563	0.4
57.03437	0.5
58.06599	1.6
61.02908	0.5
62.06060	0.2
65.17094	0.2
67.05508	0.4
69.03423	1.4
69.07067	5.2
69.99618	0.2
70.06582	1.1
70.11808	0.5
70.12228	0.7
71.07372	1.2
72.08140	0.8
73.02905	0.3
81.03411	0.8
84.08130	0.5
85.02900	3.6
85.06544	0.4
87.04440	0.2
96.04546	0.2
97.02895	1.4
98.97566	0.8
100.11253	100.0
101.11588	1.6
102.09178	0.4
109.02890	0.4
111.05559	0.2
116.98650	0.5
123.62630	0.2
124.07577	0.2
124.44283	0.2
127.03912	0.7
130.08607	0.3
134.99736	0.3
142.12238	0.6
143.01891	0.4
145.04945	0.4
145.91409	0.2
146.99628	0.2
148.09724	0.6
158.99658	0.3
161.02998	0.6
170.08020	0.2
177.00668	0.5
203.04036	0.4
237.02826	0.6
257.14893	0.6
275.19647	37.2
276.20004	0.9
291.10458	0.9
295.71201	0.2
309.08548	0.3
329.81601	0.2
368.37344	0.2
401.22861	0.3
419.19934	0.2
437.16327	2.9
437.25058	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1441
Annotation	SCHEMBL110262
Peak:m/z	Relative Intensity
50.97110	0.9
53.03930	1.8
55.01857	1.2
55.48988	0.8
56.85433	1.0
67.05494	1.0
69.03432	1.0
70.06595	0.9
70.18894	2.8
79.05492	1.5
81.03419	1.1
81.07050	1.2
83.38290	0.8
85.02896	3.5
86.09705	2.4
91.05486	2.0
93.07047	2.8
95.04971	2.4
95.08572	1.8
97.02892	2.1
105.07014	1.3
107.04955	100.0
107.08551	1.3
108.05305	1.3
109.10180	1.5
121.02900	1.0
121.06487	2.0
121.10062	0.9
123.04438	2.9
127.03928	2.3
131.04875	1.9
131.13634	1.0
133.06462	1.9
139.03889	4.2
147.04381	2.3
147.53331	0.9
149.05998	5.8
151.03894	5.2
153.01842	2.0
153.12730	2.5
154.13042	2.3
161.05972	1.1
163.03896	3.0
165.05510	1.6
167.06976	2.5
169.04964	3.3
173.06006	1.9
175.03978	0.8
181.05003	5.0
189.05360	1.0
189.09064	1.0
193.04982	5.3
205.04941	1.2
207.06593	1.3
209.08058	1.8
209.23492	0.9
211.06033	4.2
217.05077	1.2
229.04863	1.5
235.06004	3.5
241.04991	1.1
247.05937	2.4
256.94748	0.9
259.05942	2.9
275.09164	6.8
277.07111	1.6
287.06232	1.0
287.09039	5.0
299.09067	2.8
317.10233	3.9
341.10165	7.3
353.10229	6.2
365.10266	3.4
366.10934	1.0
383.11243	1.9
419.32080	0.9
437.34247	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04469	0.6
51.08531	0.6
53.03933	1.0
56.96563	5.0
57.03426	1.2
58.70850	0.5
61.02919	1.0
62.15758	0.6
66.28868	0.6
69.03413	2.6
70.06601	0.9
70.44297	2.6
73.02910	1.6
81.03420	1.1
82.06585	1.0
84.04529	0.7
84.08149	10.2
84.96034	1.0
85.02907	4.9
86.09737	0.7
91.05481	4.7
92.94540	0.6
93.07040	6.0
95.04955	1.3
97.02917	3.4
98.97576	6.0
100.07598	1.7
100.11250	1.3
103.05479	3.6
109.02876	0.9
110.97518	0.7
111.05567	0.6
112.99143	0.8
116.98625	4.5
119.01918	1.3
119.04979	0.9
121.06500	100.0
122.06804	2.0
123.04436	1.0
127.03918	1.8
128.98650	1.6
129.10228	2.2
130.06450	1.2
131.00177	1.9
134.99666	2.4
135.04379	0.8
136.06181	0.8
137.05986	4.8
137.06883	0.9
138.09134	27.9
145.01770	0.7
145.03519	0.7
146.08118	1.0
146.99667	1.7
147.04439	0.9
147.74765	0.6
149.01218	1.9
153.01830	0.8
154.08612	1.3
157.07599	1.6
158.05991	1.3
158.99684	1.5
161.01184	1.2
161.02963	1.3
163.02776	1.1
163.04158	0.8
170.99605	0.8
173.01219	1.7
173.02834	1.0
175.08620	1.4
177.00699	2.8
179.02216	0.9
189.00656	1.2
191.02309	1.2
201.00674	0.9
203.02275	1.0
207.01793	0.9
217.00421	0.8
219.01773	3.3
221.05074	1.2
237.02771	5.4
239.02371	0.7
245.05302	0.9
248.99318	0.7
274.12936	0.9
290.11273	1.4
291.09470	0.9
305.10672	0.9
308.12512	0.8
309.08505	1.3
313.16470	0.8
355.09338	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	15.0
56.96566	25.0
57.28746	10.0
59.04984	16.6
67.05486	24.0
69.03417	35.1
69.07079	61.4
69.65989	51.2
69.66401	26.8
70.06587	13.3
79.05471	22.3
81.03397	14.1
81.07055	25.3
83.04988	17.8
83.08614	15.1
85.02895	73.3
87.00775	19.8
91.05467	33.3
93.07049	79.6
95.04961	15.5
95.08594	50.6
97.02882	48.2
97.06512	12.4
98.97587	19.8
101.58066	10.0
105.01868	52.9
105.07014	22.2
107.04958	100.0
107.08596	87.2
109.02893	25.7
109.10133	30.3
116.98602	19.5
119.90135	11.1
120.08076	21.5
121.06484	14.0
127.03922	45.6
133.06470	12.4
134.99641	31.8
135.11688	84.4
137.05952	41.6
145.04936	31.3
149.05927	14.7
153.12746	16.5
157.06425	13.3
169.04889	11.2
195.99510	10.8
197.13536	11.4
199.94406	10.1
212.08195	11.2
237.02800	14.9
243.10112	22.0
269.07877	17.3
274.07758	21.0
304.05292	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	436.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45703	9.6
55.01868	29.5
55.05503	15.8
57.03426	15.0
57.07067	16.0
59.40847	10.7
61.02913	11.8
67.05495	23.4
69.03413	36.0
69.07063	100.0
69.88381	27.2
69.88792	39.7
71.04971	21.0
73.02911	13.4
74.00668	26.0
79.05466	23.9
81.03392	22.7
81.07050	33.7
84.04493	65.8
85.02890	58.4
87.00829	20.9
87.02678	31.9
89.05999	12.5
89.59955	14.0
91.05471	27.4
93.07047	79.7
95.08575	16.9
97.02869	42.6
105.01867	25.8
105.07017	25.4
107.04946	11.9
107.08598	86.5
109.06508	13.1
109.10178	13.9
109.96844	10.8
111.11725	20.5
116.01664	33.9
119.08599	16.8
120.08072	20.9
121.32450	10.2
123.04425	11.6
127.03889	15.7
130.05043	59.2
135.11684	85.1
137.06056	13.4
139.03954	21.3
143.08829	11.1
145.04958	19.5
145.06087	13.1
147.04416	13.8
147.11649	11.8
153.01797	15.4
153.12762	78.9
159.08354	16.0
159.37460	11.2
161.09908	21.0
162.02205	65.7
187.11488	23.0
191.08197	19.9
272.13129	49.3
281.08240	12.2
290.14203	47.9
304.05164	14.6
307.16681	29.8
349.13898	15.0
352.85272	12.7
361.17813	27.7
402.36136	11.9
436.13513	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	436.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
55.05506	12.5
55.42900	1.1
56.05851	1.7
56.96565	1.8
59.05002	2.1
67.05492	1.6
68.24978	1.4
69.03426	2.2
69.07068	2.1
69.55853	3.4
69.56262	7.2
70.06612	1.5
70.21394	1.0
71.04984	10.6
73.06546	4.3
79.05496	4.7
81.07057	15.1
82.06570	2.9
83.05000	3.2
83.08619	4.3
84.04499	5.0
85.02904	5.2
91.05455	1.9
91.58074	1.2
93.07045	11.4
95.04956	1.4
95.08605	2.4
97.02885	4.0
97.06488	1.7
98.20753	2.3
98.97617	4.1
100.07604	2.1
100.11257	20.3
101.11604	2.9
103.05466	1.5
105.01856	2.2
105.06994	1.5
107.08604	7.7
109.02887	2.1
109.06548	1.9
109.10155	2.0
110.06055	2.1
111.04437	4.1
116.98630	3.1
117.07030	2.5
123.04453	2.0
126.09237	1.2
127.03897	2.4
128.07059	1.9
135.08109	1.2
135.11687	18.0
137.05992	3.0
138.05498	4.0
141.11497	1.7
153.12747	100.0
155.07115	1.8
161.09447	1.5
162.99205	2.1
167.07024	2.1
168.57307	1.2
175.11234	1.7
177.00638	1.2
177.62704	1.5
182.15428	11.7
183.15753	4.9
199.18076	2.5
209.16565	2.5
210.14919	15.7
210.16743	1.9
211.15288	4.4
228.00357	1.4
268.21439	1.5
268.71616	2.6
293.01700	2.0
299.31332	1.4
311.02859	1.5
332.24698	2.5
335.02676	1.7
335.14804	1.6
354.26227	2.9
417.79105	2.8
418.15665	1.7
418.29489	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67544	3.7
53.03925	4.6
55.05498	12.2
57.03429	8.3
59.04974	11.9
67.05492	19.9
69.03432	20.0
69.07069	57.2
70.38483	6.2
70.38882	9.5
71.04985	5.0
79.05473	13.8
81.03403	12.0
81.07056	22.2
83.04969	11.6
85.02903	41.7
85.06525	12.5
87.00832	23.0
91.05465	24.0
93.07040	95.3
95.04959	11.7
95.08598	55.2
97.02889	25.4
97.06534	21.0
98.97591	6.4
99.04428	6.9
105.01869	42.2
105.07012	13.9
107.04945	4.7
107.07876	5.4
107.08589	100.0
109.02874	8.2
109.10152	33.4
116.98596	4.1
119.08524	7.8
123.11683	6.8
127.03922	48.2
135.11685	91.9
139.03876	4.9
145.04933	24.9
147.04259	4.6
153.12718	28.4
159.02890	5.3
181.17665	3.5
231.04996	8.6
249.05984	4.9
252.72281	4.5
274.11227	4.6
392.13980	8.6
436.13028	48.4
440.90009	4.5
440.96048	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	436.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.05505	23.5
69.03432	8.1
70.98275	4.3
71.04985	8.2
75.75305	1.7
79.46291	2.2
81.03394	4.8
83.08616	100.0
85.02898	34.8
85.06529	4.7
87.00831	15.7
91.05506	2.2
93.07018	2.5
95.04911	2.4
97.02885	9.0
105.01862	46.2
107.04935	3.9
109.02871	5.5
127.03918	16.9
137.05956	7.4
138.06277	2.5
145.04933	11.8
147.04440	2.8
159.02927	3.2
200.00443	2.3
231.04953	11.2
249.06107	14.7
311.44034	2.1
351.14246	2.3
374.74908	2.3
376.01071	2.6
393.15152	11.2
436.18106	3.6
437.14172	40.5
443.67731	1.9
449.34052	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19638	8.6
53.03934	15.7
55.05495	32.5
55.84422	7.6
60.04123	7.9
61.02919	11.1
67.05505	11.7
68.99784	10.9
69.03416	35.2
70.06585	11.9
71.11704	21.8
73.02886	14.8
75.04038	8.1
79.05489	14.7
81.03408	27.3
81.07035	37.0
83.08616	99.2
84.04494	17.0
85.02903	88.2
86.09702	20.8
87.00825	33.4
91.05457	25.6
93.07038	71.6
95.04977	14.7
95.08593	25.1
97.02906	43.9
97.06535	10.9
99.04458	10.4
105.01855	80.7
105.07027	23.8
107.04961	100.0
107.08589	78.3
109.02879	23.3
117.06957	9.8
119.60855	8.8
120.08109	13.8
123.04425	10.6
127.03923	59.7
129.32182	7.5
133.06482	19.9
133.33443	8.4
135.11688	50.3
137.05962	23.1
137.13249	10.0
145.04948	37.2
147.04361	31.4
151.03961	9.0
153.12762	13.6
159.02901	17.7
163.03882	9.3
167.06963	10.1
177.10500	9.6
181.04996	9.1
231.04918	16.4
232.80333	9.6
249.06049	18.8
303.05035	12.4
304.05350	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	436.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45703	9.6
55.01868	29.5
55.05503	15.8
57.03426	15.0
57.07067	16.0
59.40847	10.7
61.02913	11.8
67.05495	23.4
69.03413	36.0
69.07063	100.0
69.88381	27.2
69.88792	39.7
71.04971	21.0
73.02911	13.4
74.00668	26.0
79.05466	23.9
81.03392	22.7
81.07050	33.7
84.04493	65.8
85.02890	58.4
87.00829	20.9
87.02678	31.9
89.05999	12.5
89.59955	14.0
91.05471	27.4
93.07047	79.7
95.08575	16.9
97.02869	42.6
105.01867	25.8
105.07017	25.4
107.04946	11.9
107.08598	86.5
109.06508	13.1
109.10178	13.9
109.96844	10.8
111.11725	20.5
116.01664	33.9
119.08599	16.8
120.08072	20.9
121.32450	10.2
123.04425	11.6
127.03889	15.7
130.05043	59.2
135.11684	85.1
137.06056	13.4
139.03954	21.3
143.08829	11.1
145.04958	19.5
145.06087	13.1
147.04416	13.8
147.11649	11.8
153.01797	15.4
153.12762	78.9
159.08354	16.0
159.37460	11.2
161.09908	21.0
162.02205	65.7
187.11488	23.0
191.08197	19.9
272.13129	49.3
281.08240	12.2
290.14203	47.9
304.05164	14.6
307.16681	29.8
349.13898	15.0
352.85272	12.7
361.17813	27.7
402.36136	11.9
436.13513	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	436.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	11.1
55.05508	11.8
55.71579	0.7
56.05034	2.3
57.07075	6.0
58.99581	10.4
61.01149	2.8
62.99068	9.8
67.05499	10.3
69.07066	100.0
70.02955	3.3
70.06775	2.6
70.07393	1.1
73.01142	2.7
74.00661	17.5
76.02219	5.5
76.03997	5.6
77.00629	1.1
78.03802	0.7
79.05491	2.2
81.07066	1.5
83.06086	4.9
83.08601	4.7
84.04501	44.4
85.01127	1.8
85.04029	2.7
86.06096	0.6
86.09722	1.6
86.99039	8.7
87.02689	37.6
88.02220	11.7
88.03989	0.9
89.00583	0.8
91.05511	1.0
92.01713	1.2
93.07058	2.9
97.10119	0.8
99.02695	4.2
99.05581	3.5
100.11256	2.1
101.04248	6.2
102.05560	1.1
107.08613	2.5
109.10155	4.0
111.11719	11.9
112.03957	12.2
113.03528	0.7
113.04255	2.7
116.01672	41.5
116.05316	1.0
127.05788	1.0
128.14384	0.9
129.06589	12.2
130.04996	58.5
131.04575	2.5
135.11707	2.5
142.03267	1.2
143.08899	19.9
144.01138	16.6
145.06090	11.1
146.02745	1.3
153.06631	1.9
155.08163	1.0
159.08372	17.1
159.09578	1.0
160.00632	0.9
161.09958	26.9
162.02197	82.3
166.58752	0.7
169.10463	9.6
170.02698	0.8
174.02132	1.7
177.03282	7.0
179.04886	2.2
181.06111	1.0
182.15483	2.1
186.13098	8.4
186.14648	1.0
187.11505	20.6
199.07114	1.4
203.22786	0.8
204.14182	8.5
206.70316	0.7
209.16603	0.8
210.14853	1.4
215.11073	1.0
233.12065	0.9
248.76242	0.8
255.16039	0.7
272.13144	39.1
289.15787	11.0
290.14178	44.4
291.14584	1.5
297.16391	0.7
307.16846	16.6
307.20218	1.0
343.17056	2.6
361.17889	25.1
361.22198	1.3
362.18182	0.8
373.17792	1.5
418.20050	1.5
436.21301	3.2
436.30685	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53444	0.7
55.01873	2.6
55.05501	1.3
56.05038	6.5
57.03429	2.4
58.99583	9.6
60.04524	7.6
61.01165	1.2
67.05523	1.2
68.05018	1.8
69.03453	0.9
69.07089	1.2
70.06594	13.0
70.63895	0.9
71.58351	1.1
73.01119	1.0
74.00661	3.8
76.02229	13.8
79.05505	3.8
81.05776	0.9
81.07057	12.2
83.06104	1.9
83.08653	0.8
84.04500	14.9
85.01125	3.7
85.02942	1.0
86.00647	3.7
86.06077	0.8
86.09734	0.8
86.99043	5.1
87.02695	2.8
88.02164	0.9
88.03184	0.8
88.03988	2.7
93.07062	2.2
94.06559	0.9
95.08624	2.8
95.90861	0.9
96.08127	1.2
97.01126	1.5
98.09693	13.4
99.08073	1.4
100.02206	3.1
105.07011	2.1
106.05023	10.8
107.04919	1.2
110.09673	1.1
113.04220	5.8
114.05541	2.8
115.02216	0.7
115.05822	0.7
116.03469	1.4
118.03242	1.3
121.06518	1.1
122.06015	0.8
122.09679	2.3
123.04480	0.9
123.08058	1.0
123.10405	0.8
128.01695	1.3
129.06596	3.7
130.05000	3.6
130.06885	3.2
132.06563	3.0
139.03929	1.0
139.05782	1.5
140.10690	1.3
142.03206	1.9
142.05063	1.0
145.06740	0.9
146.02718	23.2
147.04436	1.7
149.05898	0.9
156.08437	20.9
156.21312	0.7
157.06857	7.4
160.06091	2.2
160.09686	0.9
164.03787	0.9
174.02242	3.9
174.09476	10.3
177.05473	6.4
186.11275	9.2
187.05348	0.8
189.85136	0.8
190.01741	3.5
192.03256	18.1
204.03230	0.9
209.05927	7.5
210.11296	2.1
215.04866	2.2
233.05931	1.5
246.08031	1.8
257.05933	1.2
268.09265	1.1
271.11288	1.3
274.10544	1.9
279.64133	0.8
285.12820	2.0
289.12164	100.0
290.12622	2.0
313.12064	4.5
331.13199	5.7
379.10358	1.6
418.16086	1.2
436.16254	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	436.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.5
53.53537	2.0
55.01876	14.2
57.03424	7.6
60.04510	2.7
61.02921	10.5
65.03912	2.7
68.99776	6.2
69.03426	36.8
70.11400	8.8
71.04976	7.8
71.45305	2.1
73.02899	9.7
81.03419	38.9
83.04971	2.4
85.02902	100.0
87.00828	40.5
91.03938	3.1
97.02882	35.3
98.72260	2.3
99.04456	14.9
103.03912	5.4
105.01849	33.3
107.04932	7.6
108.04461	9.0
109.02873	34.7
111.04436	21.4
117.01840	5.4
125.05986	3.1
126.05518	6.8
127.02969	3.6
127.03911	70.1
129.01826	7.4
135.04434	3.3
139.03914	49.7
141.05511	3.1
145.04965	31.5
147.02873	5.8
159.02893	28.7
163.03883	15.2
169.04875	3.4
171.02727	2.4
171.06520	67.8
180.76329	2.3
181.04985	8.1
189.03908	5.4
195.06514	25.9
205.04993	2.9
213.04149	2.9
213.07578	24.0
230.06554	3.2
231.05074	12.2
233.08067	3.9
237.07538	16.4
248.07692	5.0
261.07556	12.5
279.08679	19.5
359.13098	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
53.04804	0.7
55.01862	2.8
57.03426	3.4
61.02919	1.9
68.99775	1.0
69.03435	9.5
70.74447	1.0
71.04993	4.8
71.58688	1.0
73.02901	1.5
81.03417	10.0
85.02885	2.0
87.00810	2.2
87.04430	0.7
91.05465	2.0
95.08595	0.8
97.02912	1.9
99.04472	6.9
105.07021	1.9
105.71012	0.8
116.04964	1.4
117.05519	3.1
118.06545	3.1
119.08562	1.1
120.08105	2.2
132.08110	2.0
135.11691	0.9
139.03891	1.2
145.06520	0.6
145.07603	14.8
146.08379	2.5
147.09171	35.8
153.12813	1.0
157.07596	1.0
159.09183	19.5
159.10393	1.7
160.09947	5.1
161.10728	2.5
167.07069	2.2
168.07420	1.2
171.09149	1.6
172.09982	1.2
173.07103	1.2
173.10704	2.4
175.08640	2.9
181.04997	3.6
182.05276	1.8
184.09976	3.3
185.10822	6.0
186.11435	1.7
187.08662	2.3
189.10271	8.3
190.09868	1.3
191.08160	100.0
192.08502	2.3
197.10796	5.7
199.08707	2.1
199.12350	8.3
201.10223	2.9
203.11693	2.1
213.10258	1.5
215.08182	1.9
215.11874	3.8
216.07666	12.0
225.10295	1.7
227.11827	5.6
229.13371	1.9
231.11343	1.6
233.07968	1.6
234.08415	1.6
243.11278	1.1
245.09213	2.4
245.12871	11.9
256.76764	0.8
259.10852	0.9
263.13885	5.6
271.10742	2.6
289.11853	5.0
305.14972	14.3
306.15024	1.0
307.12906	19.4
329.97357	0.9
331.12997	2.1
349.13940	38.5
350.13745	2.6
375.12009	2.6
392.14471	12.1
393.12885	25.1
394.13107	1.1
409.40469	0.8
418.16281	1.7
422.75275	0.8
436.13507	49.7
436.23221	2.0
437.13742	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2741
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
51.72992	3.7
53.03931	7.7
55.05527	17.9
59.04996	3.6
65.03980	5.3
67.05182	6.6
67.05508	100.0
69.07059	13.1
70.75798	7.5
70.76177	8.8
79.05495	45.8
81.03413	8.5
81.07059	45.8
82.29776	3.5
83.08591	10.5
84.60114	3.6
91.04942	6.2
91.05471	38.7
93.07059	36.1
95.04971	14.3
95.08625	23.6
97.06512	3.9
97.10153	3.6
103.05475	3.8
105.07024	26.8
107.04946	4.8
107.08577	9.9
109.06519	10.2
109.10164	60.3
111.08116	3.6
117.07043	5.6
119.08585	17.1
121.06474	4.2
121.10107	5.8
123.08064	4.5
123.60180	3.9
129.07011	8.4
131.08565	3.8
135.11714	10.4
137.09625	5.2
145.10133	6.6
147.11674	14.3
161.13254	11.2
171.11699	16.0
173.11691	11.2
173.13084	4.0
181.72798	3.4
189.12808	4.0
207.13797	8.7
247.08432	5.0
301.59576	3.8
417.26926	4.5
435.27527	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	37.3
57.07066	18.7
58.09159	11.3
60.61783	12.3
64.80940	11.9
67.05498	75.4
67.28547	12.4
67.85200	13.4
69.07057	39.1
71.33008	20.1
79.05489	31.5
81.07057	82.7
83.08603	18.3
95.08605	69.8
96.80454	12.2
97.10143	15.5
98.98454	67.5
107.08556	20.0
109.10181	22.9
142.95840	13.0
147.11647	12.0
148.73708	13.5
155.01038	28.1
263.23615	29.6
337.27438	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2505
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
55.05503	27.1
57.03436	15.2
57.07079	6.2
60.29798	3.9
67.05504	57.1
69.07070	28.1
79.05495	17.2
81.07054	54.2
83.08620	16.6
91.05469	9.6
92.49401	5.3
93.07062	14.7
95.08597	47.1
97.06540	5.7
97.10156	8.0
97.39068	4.3
98.98473	85.6
105.07005	6.6
107.08574	11.5
109.10149	30.1
119.08609	9.8
121.10148	13.3
123.11755	5.0
125.85902	3.9
133.10117	9.9
135.11661	6.2
137.13297	5.3
147.11792	4.6
155.01044	15.8
161.13252	6.4
172.64656	4.3
173.02127	16.8
175.69661	4.2
245.22644	5.8
250.56921	4.4
263.23737	14.4
287.95956	4.8
337.27393	100.0
341.24692	4.2
394.66840	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	435.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	24.7
57.03431	14.1
57.07067	6.3
60.49947	3.8
67.05227	4.0
67.05508	44.1
69.07069	27.4
70.08907	18.9
79.05499	17.5
81.07050	53.9
83.08620	11.1
91.05484	9.6
93.07041	16.3
95.08605	46.9
97.06547	5.2
97.10179	5.7
98.98463	63.7
99.08090	4.5
105.07017	8.2
107.08597	9.8
109.10154	16.1
119.08550	4.5
121.10130	6.6
123.11713	6.8
133.10089	7.5
137.13261	5.5
147.11687	5.3
153.00223	3.9
155.01036	7.2
173.02113	9.0
245.22673	6.2
249.94160	3.4
263.23724	11.6
320.67276	4.6
337.27380	100.0
338.27679	6.1
388.19125	4.1
435.29843	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	435.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.4
55.01871	3.4
57.03435	3.0
60.32597	1.9
65.03941	7.1
65.87160	2.1
67.05502	3.6
69.03419	2.1
71.59087	2.8
75.11012	1.8
78.04714	2.9
79.05495	17.7
81.03409	3.7
81.07047	4.5
85.02913	3.8
91.05470	29.1
93.07045	15.6
95.04971	14.1
95.08615	2.7
99.04453	2.2
103.05473	14.0
105.07029	13.3
106.04146	3.0
107.04951	42.2
109.06498	4.1
110.03687	2.2
111.04448	3.3
115.05460	9.4
117.07028	10.8
119.04946	9.7
119.08594	3.1
120.05772	3.0
121.06491	24.3
122.03651	3.5
123.04436	10.4
123.08090	2.1
124.05179	8.1
125.05974	5.1
128.06195	12.4
129.07005	29.5
131.04936	12.1
131.08543	11.2
132.05608	1.8
133.02876	2.4
133.06477	6.2
133.10091	1.7
135.04431	3.9
135.08054	7.1
136.05200	2.4
137.05966	24.4
138.03130	3.8
139.03906	2.7
140.04643	1.8
141.07011	3.7
143.04904	2.5
143.08549	2.4
144.05705	2.8
145.06493	15.9
146.07198	3.0
147.04393	7.3
147.08041	3.4
148.05193	5.3
149.06001	11.2
150.06856	2.3
151.03888	5.5
151.07556	21.0
152.04721	5.0
152.06117	2.4
153.01826	2.3
153.05476	22.0
153.06651	3.5
155.05945	2.5
155.07045	2.7
156.05739	2.2
157.06471	24.8
158.07214	2.0
159.08015	5.1
161.05971	33.7
161.09573	11.9
162.06718	2.5
163.07541	21.1
165.05661	2.1
165.06985	9.4
165.09090	11.7
166.06221	11.4
166.07539	2.3
167.07048	91.6
167.08505	5.6
169.06538	3.4
171.08118	2.0
172.05147	3.9
173.05960	5.1
174.06770	14.3
175.07547	17.7
177.05505	4.2
177.06920	2.0
177.09126	9.6
178.07784	3.7
179.07025	4.8
179.08560	5.3
181.05032	34.4
181.06621	5.7
181.08589	100.0
181.09953	3.8
182.07239	6.4
182.08890	3.9
183.08031	2.8
187.07552	6.4
189.05511	3.2
189.09087	74.9
190.07739	3.9
190.09467	3.1
191.07002	3.4
191.08533	5.2
191.10588	3.9
193.06480	5.6
193.08527	3.2
194.07281	5.6
195.08046	16.0
195.09703	2.6
196.08849	2.1
197.06055	4.4
197.09631	7.9
198.06705	2.4
199.07518	2.7
201.05443	2.4
203.06868	1.9
205.08597	7.0
206.05675	2.3
207.08081	6.2
207.10173	14.2
208.05080	2.8
208.08847	4.9
209.06033	4.4
209.09636	4.8
210.06799	7.3
211.07489	8.3
212.08253	5.3
213.08951	3.1
217.08556	3.0
218.05614	3.1
219.08029	8.6
219.10013	3.6
221.05956	7.2
221.07953	4.3
222.06651	4.2
223.07582	13.5
223.11061	2.2
224.08307	3.4
225.05479	3.8
225.09084	18.0
226.06171	3.0
226.09749	2.8
227.06976	6.6
233.08051	30.9
235.07506	8.0
236.04515	2.8
236.08325	3.4
237.05437	3.3
237.09062	6.0
238.06180	2.6
239.07007	8.1
239.10637	3.6
240.07730	8.6
240.11075	2.0
241.08559	8.7
242.09329	5.3
247.07532	6.8
250.06175	2.4
250.09904	2.1
251.07079	10.0
251.10658	6.9
252.07755	3.2
253.08528	14.3
254.09348	3.1
255.06557	6.8
255.10156	8.2
257.08081	3.3
257.11667	11.7
263.09219	2.8
264.07819	3.4
265.08609	5.4
266.09302	2.8
267.06537	2.8
267.10114	6.3
268.07492	4.4
269.08075	13.0
269.11642	2.6
270.08911	5.0
271.09619	3.3
271.13315	4.3
273.07852	1.8
279.10153	10.2
281.08066	6.3
282.08755	1.9
283.09637	16.2
283.13260	11.0
284.10373	5.1
285.08023	2.8
285.11151	33.1
287.09186	2.5
295.09592	5.4
296.10449	4.3
297.11163	7.4
299.09317	3.8
299.12772	5.7
300.09827	2.4
301.10754	2.8
302.11438	10.2
311.09479	2.0
311.12604	10.5
315.12247	24.2
316.13016	6.2
317.13831	29.8
327.12219	2.2
329.13785	10.5
331.07837	2.2
331.15289	5.0
343.15405	15.1
346.14093	19.3
359.14908	10.9
360.15640	64.3
361.16464	45.2
362.16742	4.0
367.11621	2.1
403.17059	2.2
413.53076	2.4
417.15265	19.3
421.52121	2.1
435.19598	2.2
455.47153	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.0
55.01874	1.6
57.54629	1.3
65.03940	7.8
67.05502	5.5
69.03413	6.3
71.58677	1.9
79.05493	9.0
81.03404	5.3
81.07056	3.8
82.04193	4.0
85.02895	7.1
91.05479	4.7
93.03422	3.0
93.07037	1.9
95.04969	4.8
95.08594	1.7
97.02879	1.5
97.06549	3.1
100.11272	2.0
103.05489	3.3
105.07036	2.8
106.04169	1.2
107.04958	16.2
108.02090	1.7
110.03651	4.0
111.04448	1.7
115.05457	4.7
117.07029	6.2
119.04922	2.2
123.04427	12.3
124.05228	3.3
125.05997	4.8
127.03912	4.1
128.06232	2.0
129.07004	2.5
131.04909	3.4
131.08601	2.6
132.05728	1.3
133.06505	1.6
135.04475	2.2
135.05553	1.2
137.02361	1.7
137.05934	1.4
138.03122	3.1
139.03903	1.4
142.02629	3.0
144.05716	3.9
145.06483	10.3
147.04402	3.9
149.05994	3.8
152.04680	2.3
153.01857	4.2
153.05391	2.3
155.05968	1.6
157.06500	3.3
159.08087	3.5
161.05971	5.8
163.03937	2.7
163.07576	1.6
166.02539	1.6
167.07047	50.1
168.07468	1.7
171.06534	7.8
172.05167	13.1
173.06007	5.3
175.03853	1.4
175.07571	2.9
176.04712	1.7
177.05521	1.9
181.04959	100.0
182.05296	1.6
187.07567	8.1
189.05443	3.6
190.06212	2.4
191.07045	3.3
191.10651	2.5
193.04961	1.7
195.06538	2.3
200.04668	6.3
201.05530	8.6
203.07068	1.6
205.08643	5.7
206.05763	3.2
207.10059	2.3
209.08105	3.2
217.08571	2.5
218.05719	12.9
219.10193	3.8
221.08026	7.7
233.08069	72.4
235.07584	3.1
235.09685	3.4
245.08153	2.8
251.09216	3.3
263.09225	9.5
264.08112	1.5
264.12488	1.6
273.07565	4.8
279.06494	1.9
292.07382	1.8
293.08136	1.8
295.09457	1.8
303.05200	1.9
307.09824	1.7
311.12872	1.6
325.07153	2.1
327.12360	1.6
339.12436	3.2
344.12509	1.5
346.10214	2.2
351.08591	1.3
355.11755	4.2
358.20401	1.8
367.11472	2.9
371.14960	2.2
381.13422	2.4
387.14404	6.5
399.14359	5.7
417.15417	30.7
418.15826	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
55.01866	2.2
65.03925	6.9
67.05492	6.8
69.03423	5.7
69.07069	2.5
69.57152	8.7
69.57566	3.5
70.06589	3.5
78.04695	1.7
79.05495	12.8
81.03420	4.8
81.07043	4.5
82.04176	4.0
85.02878	7.5
86.39580	1.7
87.93149	1.6
91.05502	7.6
93.07021	4.3
95.04961	8.3
95.08593	3.1
95.19376	1.4
97.02885	3.2
97.06529	3.9
98.21385	3.1
98.51398	1.4
103.05441	2.5
104.34086	1.5
105.07018	4.6
106.04142	2.0
107.04955	57.1
107.08597	3.1
109.02877	1.5
109.06560	1.7
109.10130	1.8
110.03629	3.8
111.04430	2.6
111.08105	1.7
115.05457	6.6
117.06987	6.6
119.04907	2.3
120.08091	3.5
121.02897	1.7
121.06493	7.0
121.10173	2.4
123.04433	6.8
123.11705	1.9
124.05195	3.0
125.05984	4.3
127.03909	4.6
128.06230	2.2
129.06995	5.0
131.04910	6.1
131.08592	2.1
133.06529	3.7
133.74728	1.9
137.05959	3.6
138.03091	2.6
139.03929	1.9
141.07034	1.7
142.02602	2.7
144.05656	4.8
145.06493	11.2
147.04393	4.4
149.05962	6.9
152.04654	2.0
157.06485	3.7
159.08101	4.9
161.05978	6.2
167.07033	75.1
168.07382	2.0
171.06528	6.7
172.05200	13.8
173.06015	4.9
175.07526	4.3
177.05424	2.4
181.04964	100.0
182.05339	5.7
184.05220	1.9
187.07518	9.6
189.05510	4.7
190.06265	2.2
191.07008	4.5
191.10605	2.1
195.02951	1.7
195.06493	3.7
198.84203	1.8
200.04657	4.1
201.05469	7.4
202.06203	2.3
203.06972	2.6
205.08661	7.7
206.05684	1.8
209.08112	2.5
217.04932	1.7
217.08514	4.2
218.05716	12.4
219.06465	1.8
219.10165	4.9
221.08115	6.9
231.06567	1.7
233.08073	72.3
237.68048	1.7
245.08153	3.6
246.06827	1.7
251.09108	2.9
255.10199	2.0
263.09174	11.7
273.11215	19.1
281.07941	1.7
292.07184	1.9
293.08231	1.7
295.09799	1.9
307.09363	2.3
314.57349	1.5
339.12158	2.4
355.11746	3.6
367.11835	3.2
381.69559	1.6
387.14410	9.1
399.14340	6.2
405.14783	7.5
417.15399	36.9
418.15665	3.7
435.19153	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	435.1648
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
53.03932	2.0
55.01874	1.6
57.54629	1.3
65.03940	7.8
67.05502	5.5
69.03413	6.3
71.58677	1.9
79.05493	9.0
81.03404	5.3
81.07056	3.8
82.04193	4.0
85.02895	7.1
91.05479	4.7
93.03422	3.0
93.07037	1.9
95.04969	4.8
95.08594	1.7
97.02879	1.5
97.06549	3.1
100.11272	2.0
103.05489	3.3
105.07036	2.8
106.04169	1.2
107.04958	16.2
108.02090	1.7
110.03651	4.0
111.04448	1.7
115.05457	4.7
117.07029	6.2
119.04922	2.2
123.04427	12.3
124.05228	3.3
125.05997	4.8
127.03912	4.1
128.06232	2.0
129.07004	2.5
131.04909	3.4
131.08601	2.6
132.05728	1.3
133.06505	1.6
135.04475	2.2
135.05553	1.2
137.02361	1.7
137.05934	1.4
138.03122	3.1
139.03903	1.4
142.02629	3.0
144.05716	3.9
145.06483	10.3
147.04402	3.9
149.05994	3.8
152.04680	2.3
153.01857	4.2
153.05391	2.3
155.05968	1.6
157.06500	3.3
159.08087	3.5
161.05971	5.8
163.03937	2.7
163.07576	1.6
166.02539	1.6
167.07047	50.1
168.07468	1.7
171.06534	7.8
172.05167	13.1
173.06007	5.3
175.03853	1.4
175.07571	2.9
176.04712	1.7
177.05521	1.9
181.04959	100.0
182.05296	1.6
187.07567	8.1
189.05443	3.6
190.06212	2.4
191.07045	3.3
191.10651	2.5
193.04961	1.7
195.06538	2.3
200.04668	6.3
201.05530	8.6
203.07068	1.6
205.08643	5.7
206.05763	3.2
207.10059	2.3
209.08105	3.2
217.08571	2.5
218.05719	12.9
219.10193	3.8
221.08026	7.7
233.08069	72.4
235.07584	3.1
235.09685	3.4
245.08153	2.8
251.09216	3.3
263.09225	9.5
264.08112	1.5
264.12488	1.6
273.07565	4.8
279.06494	1.9
292.07382	1.8
293.08136	1.8
295.09457	1.8
303.05200	1.9
307.09824	1.7
311.12872	1.6
325.07153	2.1
327.12360	1.6
339.12436	3.2
344.12509	1.5
346.10214	2.2
351.08591	1.3
355.11755	4.2
358.20401	1.8
367.11472	2.9
371.14960	2.2
381.13422	2.4
387.14404	6.5
399.14359	5.7
417.15417	30.7
418.15826	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1649
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
53.03926	1.9
55.01866	2.8
57.03439	1.7
65.03947	6.3
67.05492	3.8
69.03414	7.3
69.24852	7.3
69.25278	8.7
70.06593	1.8
72.86729	1.2
73.51198	1.1
79.05490	8.5
81.03410	5.3
81.07032	1.6
81.77708	1.3
82.00554	1.2
82.87922	1.2
85.02904	9.8
86.03225	1.4
91.05474	5.3
93.03416	1.9
95.04964	4.9
97.02888	2.6
97.06515	1.9
103.05487	2.8
105.07032	1.7
107.04960	16.9
107.44090	1.2
108.53165	1.7
110.03647	2.4
111.04466	3.4
115.03923	1.5
115.05425	3.9
117.07016	2.8
121.02879	3.6
123.04427	3.9
124.05212	3.3
125.05977	5.2
127.03942	4.9
128.06230	3.0
129.07019	3.4
131.08563	2.0
133.04935	1.8
133.06476	3.6
137.05965	3.1
138.03117	1.6
138.72969	1.3
141.06984	2.0
142.02596	1.4
144.05707	4.6
145.06491	11.4
147.04379	3.2
147.08028	2.0
153.01964	1.8
153.05513	1.6
157.06572	2.6
159.08043	2.9
161.05952	5.5
163.03944	2.5
165.01840	5.7
166.02571	2.0
167.07051	44.8
171.06544	6.8
172.05212	15.0
173.06029	6.3
175.03857	1.6
175.07669	2.0
177.01848	1.8
181.04959	100.0
182.05299	3.0
183.02925	3.6
187.07529	9.9
189.05466	4.1
190.06131	1.6
191.03383	5.1
191.10657	2.1
195.02902	17.9
195.06512	2.2
200.04703	5.8
201.05437	5.9
203.03352	1.7
203.06868	2.6
205.08691	3.6
206.05731	3.1
218.05716	8.2
219.02864	9.0
219.10115	3.8
221.08115	6.2
231.02914	5.9
233.08089	65.9
234.08640	2.1
235.07509	2.1
235.09711	2.0
243.02707	1.8
245.08015	2.1
251.09224	3.2
261.03928	3.8
263.09189	9.7
271.05917	2.3
272.06378	2.6
273.06638	5.0
285.07590	5.8
297.07590	3.4
303.05072	4.1
307.09586	1.7
315.08545	3.7
323.09125	2.3
337.07269	1.4
339.08621	5.1
344.12759	1.5
351.08578	4.0
355.11728	3.9
358.06357	1.5
367.11816	2.2
371.14944	2.3
381.13324	1.9
387.14441	5.7
399.14401	4.2
417.15417	25.5
432.29843	1.4
435.22015	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1287
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
61.02907	0.8
65.03923	0.7
67.01852	0.8
67.05494	0.9
68.66463	0.6
68.99779	1.2
69.03413	1.7
69.88409	1.2
69.88819	2.8
71.62346	0.5
79.50094	0.6
85.02889	2.1
91.05486	4.2
95.04945	1.3
95.76448	0.6
97.02904	1.4
98.20855	0.7
107.04945	2.3
115.05430	1.0
119.04948	10.6
120.98478	0.7
121.06510	0.8
123.04460	3.9
137.02322	3.4
145.06500	1.0
147.04411	37.2
147.29649	0.7
148.04730	1.1
153.01834	72.3
154.02177	1.0
163.03874	2.3
167.07060	2.6
171.02898	3.1
179.03409	1.0
181.03546	0.7
181.04948	3.2
183.02841	1.1
189.05437	0.8
191.03419	0.7
195.02908	1.2
201.72801	0.6
219.02890	0.7
233.08110	2.1
249.11372	1.0
253.71492	0.8
263.09033	0.8
273.07578	100.0
274.07895	5.3
303.05038	2.0
361.16321	0.9
399.14456	0.7
417.15271	1.9
435.21790	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01880	1.6
65.03936	8.9
67.05504	4.3
69.03418	4.9
69.35214	12.8
70.06568	1.9
78.04725	2.2
79.05497	12.1
81.03405	5.4
81.07055	4.2
82.04182	2.7
85.02897	9.2
91.05481	6.0
93.03419	1.6
93.07053	3.7
95.04951	6.4
95.08604	1.6
97.02918	2.4
97.06529	4.0
98.21536	2.8
103.05450	2.1
105.07040	5.5
106.04178	1.2
107.04956	18.2
109.06525	3.0
110.03661	3.4
111.04433	2.9
115.05463	5.3
117.07016	4.9
119.08593	2.0
120.02139	1.4
121.02834	1.3
121.06537	2.2
122.03670	1.4
123.04420	4.6
124.05193	2.3
125.05972	3.8
127.03906	5.7
128.06210	1.2
129.06985	1.7
131.04898	2.4
131.08554	3.6
133.06503	4.2
135.11659	1.4
137.02321	1.5
137.06004	4.0
138.03111	3.3
139.03922	1.5
141.06970	2.1
142.02567	2.9
144.05693	4.4
145.06480	9.1
147.04469	1.6
147.08055	2.7
149.06001	3.1
151.03954	1.7
152.04707	2.1
153.12764	3.3
155.05992	2.4
157.06464	3.4
159.04395	1.5
159.08095	5.0
161.05981	5.4
163.07524	1.7
167.07047	52.1
171.06578	7.5
171.07846	1.5
172.05206	11.1
173.05983	4.8
175.04016	1.3
175.07529	3.7
177.05455	3.3
181.04964	100.0
182.05318	1.9
187.07510	10.0
189.05464	3.5
190.06226	2.8
191.10724	2.3
195.06551	2.3
200.04703	4.2
201.05455	6.1
202.07840	1.4
203.06960	1.4
205.08662	3.8
206.05672	3.1
207.10178	2.0
209.08080	3.1
217.08665	3.4
217.58704	1.2
218.05724	9.3
219.06488	1.3
219.10188	4.3
221.07971	8.6
225.07292	1.4
231.06432	1.8
233.08078	64.5
234.08722	1.4
235.07484	2.2
235.09721	3.3
237.09328	1.3
245.08144	4.3
247.07588	1.7
251.09164	3.0
263.09152	8.5
273.07629	2.9
273.12485	1.8
279.09872	1.7
289.06091	3.6
295.09726	1.8
303.07721	2.9
307.09525	1.8
324.10007	1.6
339.12210	1.5
355.11798	3.2
357.13138	1.5
367.11499	2.3
372.11987	1.7
381.13348	2.4
387.14420	10.6
399.14380	4.6
417.15414	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	435.1284
Annotation	2',4',6',beta-Tetrahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
53.03937	3.4
55.01881	2.2
65.03935	10.9
67.05504	4.6
69.03424	4.6
70.71996	6.2
79.05505	10.7
81.03427	4.7
81.07044	3.3
82.04198	4.7
85.02885	11.6
91.05454	4.7
93.07028	3.0
94.68172	2.1
95.04964	7.4
107.04980	20.6
110.03681	3.8
115.05459	6.1
117.07047	6.7
119.04967	3.2
121.02852	6.5
123.04417	6.2
124.05209	4.0
125.06038	3.9
127.03907	5.3
129.07033	4.7
131.04898	2.6
131.08609	2.4
133.06516	3.1
137.11230	2.1
138.03139	5.5
138.17102	2.5
142.02565	2.3
144.05634	4.8
145.06487	9.4
147.04422	5.5
149.02286	2.8
157.06541	3.0
159.08054	5.0
161.05974	4.7
165.01860	6.6
167.07040	49.8
167.08430	4.0
171.06548	7.1
172.05144	13.2
173.05980	3.3
175.07588	3.0
177.01852	4.1
181.04965	100.0
183.02885	6.6
185.06120	2.7
187.04033	2.5
187.07544	8.8
189.05484	2.9
189.09244	2.4
191.03380	5.5
195.02872	27.9
195.06615	2.9
198.52512	2.3
200.04739	6.3
201.05440	7.7
204.80090	2.4
205.08472	5.0
213.61819	2.5
218.05716	11.3
219.02913	10.2
219.10123	5.3
221.08128	6.6
231.02899	7.4
233.08081	70.9
234.08246	2.3
245.53885	2.3
261.03970	7.0
263.09268	10.9
285.07541	9.4
297.07632	4.0
307.09616	2.5
309.07236	2.5
315.08365	2.7
323.09314	3.1
339.08624	8.2
351.08621	7.1
355.11682	2.6
367.11957	3.0
381.09601	2.6
387.14478	9.7
399.14456	4.6
417.15323	23.3
435.22073	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	435.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92062	0.7
67.10509	0.8
70.75507	1.3
70.75823	1.0
71.28325	0.7
71.50569	0.6
85.02927	0.8
91.89630	0.8
92.18893	0.6
92.66882	0.7
95.23612	0.6
109.02906	0.7
115.97450	0.7
123.77458	0.8
127.03908	1.3
143.95215	0.7
185.04253	1.0
186.06448	0.7
187.07307	1.4
227.05341	3.3
271.04251	5.1
349.12595	7.7
373.12604	2.0
391.13614	58.0
392.13736	1.5
435.12601	100.0
436.13062	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	435.1284
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
53.03916	1.5
56.96547	1.6
65.03931	2.0
67.05494	2.3
69.03421	4.6
69.07056	1.6
69.94385	2.5
69.94675	9.5
70.06573	1.6
85.02907	9.5
91.05495	9.0
93.03394	2.3
93.07021	3.3
95.04960	5.0
97.01687	1.5
97.02898	4.4
98.21409	2.0
100.11230	1.6
103.05459	4.5
105.07058	2.3
106.04165	6.6
107.04978	3.9
107.08577	3.7
109.06508	2.0
109.20182	1.7
113.57968	1.5
119.04937	11.4
121.02863	2.6
121.06518	8.8
123.04406	6.3
125.06004	3.0
131.04948	2.4
133.10155	2.1
137.05952	3.3
139.07481	1.8
147.04399	42.0
149.05997	9.6
151.03845	2.8
153.01823	85.7
153.09103	2.8
167.07069	4.1
171.02888	3.5
177.05478	5.8
181.04938	8.4
181.08582	3.8
183.02798	2.8
191.03386	3.6
191.94794	1.6
195.02917	7.1
209.08116	12.9
209.16928	1.8
227.10619	2.3
231.02907	3.7
233.08070	2.4
237.09221	2.0
249.03865	2.1
255.10127	2.7
273.07568	100.0
274.07715	1.9
285.07443	2.3
285.11090	2.6
303.04922	9.1
435.32401	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	2.2
68.99770	1.3
69.55980	10.8
73.02915	14.0
93.02894	1.1
98.20676	2.4
111.00808	1.8
137.02332	5.5
153.01782	6.2
165.01881	3.4
177.03581	1.3
181.06491	1.9
201.05486	2.4
227.06934	3.3
229.04968	5.4
255.06549	20.3
257.04630	2.4
269.16888	1.5
273.07541	5.1
274.04919	1.4
285.04068	2.6
303.04984	100.0
304.05402	2.4
331.20401	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0922
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
55.11141	1.8
57.03412	2.8
69.03397	1.9
69.56026	16.6
85.02863	2.1
87.38814	1.8
98.20726	1.9
128.16133	1.9
137.02321	4.0
149.36240	2.4
153.01840	5.6
154.33099	1.9
191.03372	2.1
229.05000	4.1
257.04398	3.0
257.47510	2.2
303.04984	100.0
304.05402	4.3
315.04681	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	434.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10098	1.2
53.03924	2.0
55.01872	1.9
57.03422	2.0
61.02917	1.6
68.85104	1.1
68.99794	1.9
69.03418	4.8
69.55890	10.2
70.06590	4.7
72.08146	2.7
81.03407	5.2
84.08162	1.9
85.02902	15.3
86.03249	1.2
86.09692	4.9
87.00829	4.4
87.68307	1.2
91.05463	2.7
97.01971	1.2
97.02894	5.2
99.04427	2.3
102.97134	1.4
103.03937	3.1
103.05444	4.3
104.95020	1.3
105.01892	3.2
109.02875	5.1
110.07169	2.3
119.04921	3.7
120.08106	2.6
121.02853	5.2
122.03253	2.1
123.04432	5.0
127.03916	57.0
128.04250	22.3
131.04913	15.0
137.02245	1.5
137.05939	4.3
138.06723	1.7
145.04944	4.2
146.65587	1.3
148.05246	2.4
151.07454	3.2
153.01825	5.3
154.02164	3.1
159.02855	1.7
163.07533	10.2
166.06277	2.3
169.28127	1.3
175.07515	1.3
181.08572	4.1
193.08598	2.7
214.05893	1.7
225.15152	1.4
237.11166	1.8
250.64771	1.4
255.12222	6.9
259.05789	2.3
259.09622	1.3
277.10599	2.3
287.05484	46.1
288.05832	100.0
289.06113	6.4
354.69571	1.6
390.14633	1.8
415.11987	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.2
55.05512	5.4
56.05025	1.4
57.03433	4.7
57.07074	1.0
58.99287	0.7
58.99583	12.2
61.01144	3.6
62.99070	2.2
67.05502	15.4
69.07050	2.6
69.56438	3.8
71.04994	1.0
71.08630	10.8
73.01136	1.1
76.02225	66.9
76.03992	1.5
77.00633	1.5
79.05481	2.6
81.07063	3.0
83.06103	3.7
83.08624	2.5
84.04500	18.6
85.01125	0.9
85.06544	0.9
86.00645	0.5
86.99036	2.8
87.02688	1.1
88.02230	2.4
89.00615	13.2
93.07043	0.6
95.08595	0.8
97.10174	7.1
99.02682	0.9
99.05565	1.1
99.08091	13.3
103.02166	0.8
105.07060	0.7
107.04939	0.8
107.08590	2.4
109.10147	12.4
111.16306	0.5
111.35036	0.5
112.03989	1.0
114.03754	0.7
116.01665	11.5
116.02478	0.7
121.47577	0.5
125.09528	0.5
126.12766	3.0
127.11189	26.0
129.06606	5.3
130.04990	6.6
141.07347	1.6
142.03218	4.2
144.01135	7.7
145.06096	0.9
153.06590	0.7
159.08385	100.0
160.08659	1.7
162.02193	23.7
165.03926	0.5
167.07021	0.6
167.08885	1.8
170.02718	1.7
179.04846	37.9
181.06160	0.7
184.11586	4.7
184.13148	0.8
185.10046	0.7
187.05338	2.8
202.12602	21.4
204.45671	0.4
215.04828	1.6
233.05879	7.1
245.05907	1.3
287.14221	63.0
288.12595	2.1
288.15103	0.9
305.15198	5.3
308.09027	1.0
316.89938	0.5
341.15186	0.7
359.16330	15.1
360.16672	0.8
416.18256	0.6
434.19327	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	21.1
71.58794	14.4
71.59168	19.0
79.05506	21.2
81.07072	36.4
91.05472	20.9
92.83168	15.2
93.07049	44.2
95.08617	21.9
105.06995	35.7
107.08611	29.1
119.08598	23.8
120.69573	15.2
131.08530	16.8
133.10118	19.7
137.06007	17.9
143.08530	18.0
145.10100	20.4
159.11691	35.1
175.07579	23.7
206.09959	16.8
240.49413	15.9
287.05402	19.8
337.21561	90.3
355.22696	100.0
373.23697	32.9
433.12512	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	434.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.05494	0.5
57.03441	0.9
58.99573	0.6
61.02919	1.0
67.05502	2.9
69.03429	1.8
70.06601	0.9
70.86974	1.5
73.02915	0.6
75.32459	0.5
76.02225	0.8
81.03415	1.2
81.07042	0.5
83.01326	0.5
85.02919	5.0
95.08610	4.9
97.02882	1.5
99.04457	0.7
100.02206	1.6
105.00092	1.0
105.07034	0.6
109.02879	0.9
122.02724	7.7
123.08067	7.5
127.03934	1.5
130.56342	0.5
145.04953	1.0
146.02711	1.6
151.07547	100.0
152.07887	2.0
164.03821	1.0
188.03754	0.6
248.05865	0.7
272.09421	4.0
284.08044	6.2
339.30304	0.5
379.30106	0.6
434.16623	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.0
55.01867	10.3
55.05510	36.3
57.03426	6.8
57.07067	1.9
65.03912	3.2
67.05501	43.2
69.03416	6.4
69.07069	16.6
71.04986	3.1
71.38522	3.7
77.50543	1.5
79.05491	52.9
81.03411	8.4
81.07054	39.1
83.04981	7.5
83.08627	17.1
84.57233	1.6
85.02900	3.4
85.06551	4.6
91.05476	45.5
91.65822	1.6
93.07041	40.5
95.04964	32.4
95.08607	23.2
97.06516	5.0
97.10165	21.6
99.08116	2.5
103.05485	4.9
105.03394	2.1
105.07027	32.6
107.04951	18.0
107.08588	24.4
109.06506	6.9
109.10152	10.4
111.04456	2.0
111.08065	3.3
115.05418	3.0
117.07011	21.5
119.04945	4.8
119.08575	18.6
121.02884	1.8
121.06505	19.6
121.10135	19.5
123.08077	9.9
123.11706	3.4
125.09615	19.8
128.06209	7.2
129.05507	3.5
129.07002	27.5
131.04919	14.3
131.08566	29.9
133.06514	10.3
133.10115	10.8
135.04393	2.3
135.08069	12.3
135.11688	4.6
137.02359	3.3
137.05980	5.5
137.09615	4.6
141.06999	9.9
142.07799	3.2
143.08557	18.1
145.06480	26.5
145.10133	14.8
147.08046	10.7
147.11668	5.7
149.09602	24.2
151.07523	2.7
151.11156	2.2
153.07028	2.0
153.09061	2.5
154.07721	3.5
155.08546	10.6
156.09360	1.8
157.06522	4.5
157.10106	8.1
159.08009	8.7
159.11685	11.8
161.05952	2.3
161.09641	6.9
161.13260	3.9
163.11206	5.9
165.07030	2.7
167.07130	3.2
167.08537	4.9
169.06470	2.3
169.10133	12.4
171.08070	7.7
171.11690	18.3
173.09636	7.9
173.13158	3.0
175.11208	5.9
177.12753	1.9
179.08607	2.4
181.04942	3.9
181.10143	3.5
183.08070	2.2
183.11684	5.3
185.09665	5.2
185.13312	6.0
187.11162	10.8
189.09128	4.7
189.11186	12.9
189.12782	13.5
193.10252	2.9
193.12302	2.5
195.11702	4.1
197.09581	3.9
197.13312	4.7
199.11198	5.8
199.14885	2.0
201.12741	2.4
203.14418	2.7
205.12187	10.3
209.13348	1.9
211.11179	6.3
211.14848	2.5
213.12709	4.2
215.10724	2.3
215.14265	3.1
223.11261	2.3
223.13304	5.0
225.12865	3.8
227.12718	3.6
229.12276	4.9
231.13846	4.2
237.12729	2.2
239.14478	2.4
243.13828	4.1
257.15308	3.8
261.14868	2.1
267.15982	4.7
273.14847	1.8
295.06351	2.0
295.20685	2.5
305.18961	2.7
313.21564	9.0
317.17093	2.2
323.20062	27.8
335.18323	2.8
341.21100	100.0
342.21405	2.8
359.22119	8.5
415.24738	32.2
415.30048	2.4
433.25870	55.2
433.31271	4.0
434.26270	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95052	2.1
53.03932	6.0
55.01860	10.1
55.05264	2.6
55.05508	37.5
57.03424	7.0
57.07058	1.7
65.03935	3.2
67.05175	3.1
67.05504	40.4
68.43027	1.7
69.03416	3.1
69.07072	16.3
69.94910	11.8
71.04996	4.7
72.73460	1.7
79.05061	3.2
79.05491	49.2
81.03427	9.1
81.07057	39.2
83.04966	8.1
83.08618	17.8
86.16090	1.8
91.05466	43.7
93.07040	35.7
93.69439	1.8
95.04969	31.8
95.08609	19.7
96.08887	1.6
97.06534	7.2
97.10150	21.1
103.05453	2.5
105.06402	2.4
105.07032	32.4
107.04946	20.1
107.08581	20.4
109.02850	1.8
109.06501	8.9
109.10163	7.9
111.08075	3.7
115.05444	3.3
117.07001	21.6
118.60949	1.6
119.02135	1.7
119.04951	3.4
119.08585	15.2
121.06513	20.3
121.10136	19.7
121.57942	1.7
123.08080	8.9
125.09641	15.4
128.06200	5.9
129.05508	3.3
129.07005	27.6
131.04907	12.1
131.08572	29.3
133.06540	9.5
133.10143	10.4
133.25517	1.9
135.04369	1.9
135.08044	8.9
135.11716	2.3
137.09631	3.1
141.07011	13.9
142.07770	2.8
143.08548	12.4
145.06480	23.9
145.10114	12.1
147.04321	2.7
147.08038	9.1
147.11636	4.8
149.09616	24.0
151.07498	3.4
153.09100	3.3
154.07765	3.1
155.08568	8.9
157.06517	4.9
157.10114	8.1
159.08047	8.6
159.11743	10.3
161.09645	5.3
161.13286	4.1
163.11147	6.4
167.08521	5.4
169.10112	16.6
170.10852	1.9
171.07996	3.8
171.11670	18.7
173.09595	5.9
173.13213	1.8
175.11227	4.3
179.08507	3.4
181.04915	2.8
181.10097	5.6
183.08043	2.6
183.11696	6.9
185.09612	5.5
185.13283	5.5
187.11160	10.7
189.09254	3.7
189.11192	15.2
189.12744	15.4
193.12184	2.8
195.11668	3.9
197.09599	3.4
197.13327	3.1
199.11147	4.5
201.12756	3.5
203.14304	2.0
205.12244	7.8
211.11189	4.9
213.12700	4.2
215.10663	2.7
219.13855	2.0
223.13280	4.5
225.12697	5.1
227.12599	3.3
229.12267	5.0
231.13884	2.3
243.13759	4.1
257.15390	3.7
267.16058	2.6
273.14816	3.7
313.21631	7.1
323.20044	23.8
323.23505	3.3
341.21091	100.0
342.21268	3.3
359.22079	10.6
385.45892	2.1
397.23904	2.5
415.24695	29.2
433.25735	55.3
434.20575	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.0
55.01864	7.4
55.05510	28.9
57.03436	26.7
57.07051	2.7
61.02927	73.9
65.03938	6.9
67.05503	47.8
69.03432	35.1
69.07070	26.0
71.01355	3.7
71.04988	17.1
71.58694	2.0
71.59061	2.3
73.02921	32.4
75.04478	3.1
79.05492	34.7
81.03419	23.8
81.07057	87.3
83.05000	9.0
83.08607	20.6
85.02904	77.0
85.06545	9.2
87.04459	3.5
91.03957	48.2
91.04529	3.0
91.05480	35.3
93.07039	27.6
93.07561	2.9
95.04963	11.1
95.08607	100.0
97.02895	60.1
97.06519	18.3
97.10157	6.6
99.04444	11.7
99.08094	8.0
101.02389	10.2
101.06010	3.4
103.03954	7.7
103.05480	4.1
105.07036	31.9
106.13805	1.9
107.04980	12.6
107.08593	13.6
109.02890	13.7
109.06506	5.2
109.10139	14.0
110.03551	2.0
111.04455	3.0
111.08092	6.1
113.09596	2.2
115.03927	5.9
117.07033	4.6
118.52435	1.8
119.08586	38.0
120.31252	2.1
121.06487	4.6
121.10149	11.6
123.04424	3.8
123.08037	5.2
125.05988	2.7
125.09644	2.7
127.03913	28.0
129.05495	7.1
129.07010	4.0
131.04878	1.9
131.08597	5.2
133.06512	6.1
133.10138	20.2
133.14020	1.8
135.11719	11.0
137.02353	2.3
137.05959	11.0
137.09627	3.3
137.13245	7.1
145.04991	10.7
145.06459	5.5
147.06503	3.6
147.11803	2.1
149.09659	3.0
159.06598	2.5
159.11723	3.0
161.05995	7.9
161.13266	59.7
164.54755	2.0
167.07079	14.3
171.06494	5.3
171.11700	2.3
173.05893	3.2
179.14314	42.1
181.04951	51.4
182.05254	2.3
183.06578	4.9
193.08643	6.8
197.15453	4.1
201.07536	4.3
205.08635	2.4
205.12148	2.1
207.06532	2.5
217.08611	2.2
221.08028	13.5
231.86737	1.9
249.07613	6.3
253.17976	15.0
271.19034	74.6
301.07135	2.4
313.19977	2.2
341.21066	9.6
401.13324	1.8
403.13953	22.2
415.23892	2.1
433.25012	11.1
447.09937	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2349
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
51.29161	5.6
55.05491	17.6
57.03424	6.6
67.05496	50.7
69.07060	14.2
79.05486	39.0
81.07047	78.9
85.09492	4.8
91.05465	22.7
93.07036	42.6
95.04968	7.2
95.08601	54.6
97.10183	5.6
98.21510	16.9
98.98450	100.0
98.99046	9.1
99.37661	5.0
105.07024	23.1
107.07959	5.0
107.08561	30.2
109.10155	30.7
119.08556	18.6
121.10079	26.2
123.11682	14.2
131.08539	17.2
133.10135	10.6
135.11658	16.6
137.13211	5.2
145.10124	15.5
147.11723	8.8
149.13226	14.7
155.01057	15.0
159.11710	9.2
161.13251	6.3
163.14828	14.0
173.02121	18.0
173.13245	8.9
187.14754	9.7
229.50266	5.0
237.59337	5.5
243.21021	17.7
247.74129	5.3
261.22168	58.4
317.24539	9.5
335.25827	65.4
362.19000	5.3
419.54950	5.4
433.33203	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	433.2349
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
55.05519	9.7
57.03431	12.8
57.07062	5.9
59.31345	5.5
59.32375	4.8
67.05501	60.9
69.07068	8.1
69.25702	39.3
69.26118	18.4
71.08639	6.2
79.05498	53.8
81.07055	57.0
83.08620	10.7
91.05476	23.7
93.07052	53.1
95.04962	8.7
95.08611	44.9
98.20781	11.3
98.98457	100.0
105.07018	20.0
107.08574	29.8
109.10147	19.7
119.08564	10.1
121.10133	19.7
131.08543	17.2
133.10101	13.4
135.11702	19.7
137.13184	5.2
139.72356	5.0
145.10101	20.3
149.13289	14.2
155.01031	13.7
159.11679	9.6
161.13280	8.3
161.45221	5.9
163.14833	10.0
173.02086	9.7
173.13193	14.0
177.16251	5.5
187.14807	8.3
243.21170	27.6
261.22134	60.0
297.15851	5.4
317.24792	8.3
335.25815	72.1
357.66330	5.2
415.22321	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	433.235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	10.4
55.05511	36.6
56.96567	3.1
57.03421	10.8
57.07061	6.8
63.29887	2.9
65.03927	2.9
67.05502	75.0
68.80935	2.5
69.03419	5.6
69.07072	18.7
70.53816	2.7
70.83441	2.7
71.04976	3.0
71.08626	3.9
71.59096	5.6
78.75124	2.7
79.05487	81.7
81.03408	8.5
81.06581	4.7
81.07053	77.8
83.04980	5.2
83.08619	18.2
85.02930	3.8
85.06540	5.2
91.05476	54.7
93.07043	74.4
95.04973	30.4
95.08599	59.4
97.06541	6.2
97.10164	20.1
98.98463	100.0
99.08109	5.6
103.05436	5.3
105.07033	47.1
107.04961	17.6
107.08584	45.8
109.06524	6.5
109.10143	24.6
111.08075	4.0
113.09702	3.6
115.05469	3.9
116.99492	4.4
117.07026	25.1
119.08585	26.4
121.06523	18.2
121.10137	33.4
123.08063	6.8
123.11703	11.9
125.09660	13.6
128.06190	6.1
129.05508	4.2
129.07002	17.6
131.04893	13.7
131.08578	42.7
133.06499	8.0
133.10149	15.6
135.08026	8.2
135.11678	21.3
137.09688	2.9
141.07001	8.3
142.07774	3.3
143.08640	14.0
145.06499	16.6
145.10152	26.0
147.08046	5.9
147.11673	14.6
149.09648	20.3
149.13242	14.8
153.09085	4.2
155.01050	22.8
155.08536	6.4
157.06534	3.7
157.10127	5.3
159.08070	5.8
159.11673	18.6
161.09557	3.9
161.13258	10.8
163.11215	5.1
163.14787	9.4
167.08502	4.4
169.10168	9.7
171.08080	3.0
171.11691	17.5
173.02130	15.0
173.09561	6.8
173.13286	12.1
175.14873	5.3
177.12744	3.7
179.08630	4.6
183.08112	2.6
183.11758	6.4
185.09660	4.0
187.11208	10.4
187.14809	10.7
189.09036	3.4
189.11258	6.1
189.12726	9.8
193.12314	3.5
195.11685	6.1
197.09630	3.9
197.13208	3.2
201.12766	4.5
201.16325	3.1
203.10829	4.1
205.12242	7.6
211.11145	5.5
223.13249	4.7
225.12834	5.7
227.12674	4.1
229.12225	4.6
233.22705	6.5
239.14310	3.9
243.13791	4.4
243.21097	25.1
257.15067	3.5
261.22098	65.2
281.10559	4.2
295.20514	5.4
299.11548	4.9
313.21603	6.0
317.24707	9.4
322.11832	4.9
322.92117	3.1
323.20065	27.7
335.25797	40.3
341.21127	74.3
341.25165	7.0
359.22153	7.3
415.24649	22.0
433.25729	44.8
433.30679	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	433.235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.5
55.05518	12.9
57.03431	8.2
57.07075	4.6
67.05506	51.8
69.07067	11.0
69.76129	2.6
73.21519	2.5
79.05494	25.8
81.06593	3.0
81.07057	50.8
83.08603	8.8
83.52397	2.3
84.66270	2.5
87.71601	2.4
91.05493	20.0
93.07044	40.4
93.95713	2.2
95.05005	4.1
95.08607	41.0
97.06544	4.0
97.10139	2.6
98.20708	5.2
98.44562	2.4
98.98465	100.0
105.07039	20.1
107.08607	31.4
108.82166	2.6
109.10170	22.1
113.62782	2.4
116.99544	3.6
117.07005	5.7
118.51673	2.4
119.08582	15.4
121.10157	19.9
123.11679	10.8
125.05965	2.6
131.08563	18.9
133.10103	9.8
135.11687	16.6
137.13332	4.4
145.10153	7.5
147.11674	11.2
149.13235	10.0
155.01039	21.4
157.10052	2.9
159.11700	11.3
161.13286	12.7
163.14824	10.0
173.02110	20.8
173.13231	8.6
175.14812	3.4
179.14247	3.4
187.14819	6.6
189.06102	2.4
201.16406	3.3
243.21028	17.7
261.22174	60.0
317.24744	8.5
335.25894	44.5
415.22452	7.6
420.33356	2.7
433.31213	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	433.1647
Annotation	Methyltetrapterol A
Peak:m/z	Relative Intensity
62.62969	0.4
64.67300	0.4
67.05496	0.9
69.64336	0.4
70.03475	2.6
79.05474	1.2
81.07040	1.1
95.08627	0.6
98.98454	0.8
103.05458	0.8
105.07034	0.6
105.15274	0.4
107.08578	0.5
119.04976	0.6
119.08542	0.5
121.06490	1.7
128.64000	0.5
131.04930	0.6
133.06474	0.5
135.04449	3.5
141.06911	0.5
147.04390	0.6
161.05898	0.5
167.04890	0.5
177.05551	0.6
181.06441	0.9
183.04411	1.9
188.08334	0.4
197.05969	0.5
198.06790	3.2
201.05385	0.5
209.47612	0.4
211.07614	1.1
213.05542	0.8
218.07266	0.5
223.03885	1.2
225.05429	1.1
227.07016	1.2
237.05516	1.8
238.06276	4.6
241.05069	0.5
243.06464	0.9
244.08855	0.9
258.10333	0.5
272.08331	0.7
273.08881	0.4
275.10672	0.6
284.70969	0.5
285.09067	1.0
286.09964	0.7
287.10599	1.5
288.07941	0.5
291.10037	0.6
297.07736	0.7
303.10092	1.8
304.10950	0.8
307.09848	0.7
311.09238	0.7
314.09436	0.6
317.11682	1.2
319.09622	1.2
319.13336	1.6
320.10519	1.8
323.09250	1.2
327.49854	0.4
329.11752	1.1
331.09692	1.3
332.10504	1.8
335.12869	1.5
336.09851	0.8
345.11264	3.5
346.11880	2.5
347.08926	0.7
347.12775	1.6
348.09964	1.5
349.10693	5.7
357.11215	3.1
359.09177	9.9
360.09766	2.9
363.12256	24.6
364.12701	1.5
373.10611	4.8
374.11554	1.0
375.12305	43.9
376.08746	0.5
376.12869	2.9
389.13834	1.0
391.11710	19.8
392.12506	23.0
393.12927	2.0
399.12390	1.9
415.15292	2.8
433.16510	100.0
434.16818	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	433.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.7
53.03936	2.2
54.53631	0.6
55.01881	1.5
55.05514	1.0
57.03434	1.3
61.02923	0.7
63.03570	0.6
65.03643	0.8
65.03938	7.8
67.05497	6.1
69.03414	2.6
69.07082	0.9
70.06583	2.9
71.04977	2.4
71.58533	1.1
71.58960	0.9
72.08138	1.3
73.02905	0.7
79.05489	10.4
81.03401	1.9
81.07072	3.4
82.04180	3.2
82.14011	0.6
83.04994	0.7
84.08140	1.8
84.64020	0.6
85.02906	8.1
85.06564	0.6
91.03954	0.7
91.05462	3.2
93.03410	1.1
93.07029	2.0
95.04966	8.3
95.08616	1.3
97.02886	1.8
97.06511	3.2
98.93436	0.7
98.98478	1.1
100.11236	2.5
103.05460	1.5
105.04518	0.8
105.07013	9.5
107.04956	17.2
107.08587	1.2
108.02105	1.9
109.02844	1.0
109.06507	1.0
109.10146	1.0
110.03653	3.8
111.00764	0.7
111.04422	3.8
111.08075	0.7
115.05463	2.0
117.06982	1.2
119.08585	1.4
121.02866	1.4
121.06501	1.1
121.10123	1.1
123.04412	6.1
124.05194	2.4
125.06000	3.7
127.03906	1.0
131.04948	0.9
131.08548	0.8
133.02878	0.9
133.06491	8.3
133.10115	1.3
137.02252	0.7
137.05945	4.3
138.03078	1.8
139.03877	1.2
140.04672	1.2
142.02586	2.0
143.04980	0.7
145.06445	1.3
147.04401	0.9
147.11746	0.8
149.05980	3.0
151.03860	1.1
152.04674	1.7
153.01823	1.9
153.05516	1.2
153.06976	0.6
153.36320	0.6
155.06996	2.2
159.11685	0.7
161.05983	12.3
163.03993	1.2
164.07109	0.8
165.01881	0.7
165.05464	3.0
167.05623	1.5
167.07036	23.9
171.06509	8.6
171.07841	0.9
172.05164	0.9
175.07590	0.8
175.58646	0.6
177.05463	3.4
178.06281	1.0
178.45515	0.7
181.04947	100.0
181.34137	0.6
182.05354	2.7
183.06564	4.6
187.03783	0.8
189.05417	2.1
189.16261	0.8
191.07011	1.0
193.08618	13.6
197.06038	1.0
203.03368	0.7
205.08542	0.8
206.05704	2.0
207.06424	1.4
213.05516	1.1
215.03354	1.1
215.07047	0.7
219.06433	1.1
221.08083	33.3
227.34209	0.7
233.04343	4.3
233.08096	2.7
237.05441	1.0
249.07573	15.7
250.08026	0.9
252.34979	0.7
259.09665	0.9
261.03955	10.2
271.06100	5.8
271.09418	5.4
283.05835	1.1
285.04681	0.8
287.05487	9.2
325.10556	1.2
329.06567	0.8
347.07724	1.6
357.13324	0.9
372.11990	1.1
373.12787	0.9
378.14532	0.7
385.12943	0.8
403.13870	51.7
404.14154	2.7
433.18683	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.134
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
53.03938	1.0
55.01862	0.3
56.24097	0.3
57.03437	0.3
67.05499	0.3
69.03435	2.0
69.76004	2.1
71.04974	0.6
72.65583	0.3
73.02902	0.7
74.51421	0.3
79.05499	0.3
81.03417	2.8
82.73419	0.3
85.02904	5.6
91.05479	0.3
97.02885	4.3
98.98534	0.4
99.04455	3.8
103.03947	4.0
105.07012	0.5
107.04955	0.6
109.02888	3.2
127.03911	100.0
128.04282	0.6
137.02344	0.6
142.20740	0.3
145.04955	3.1
161.05922	0.4
163.05998	0.8
171.06596	0.4
181.04971	2.7
187.06021	0.9
197.20784	0.3
221.08006	0.5
224.88489	0.3
249.07550	0.4
271.05945	2.7
287.05542	0.7
339.16525	0.3
385.31326	0.3
389.14301	0.6
403.13956	0.9
433.13394	0.9
433.19852	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
55.01855	1.7
57.03411	2.0
61.02924	1.9
63.64114	1.2
66.07384	0.9
68.99802	2.5
69.03430	6.6
70.06573	2.0
71.04353	0.9
71.04665	2.3
71.05010	1.8
72.08150	3.7
73.02927	1.2
79.35600	0.9
81.03413	8.5
85.02905	17.9
86.09715	2.2
87.00839	7.0
95.01297	2.1
97.02882	6.7
99.04451	2.6
103.03989	1.0
103.05477	1.1
105.01851	4.5
107.04993	1.7
109.02860	6.5
110.03661	8.1
111.00831	1.9
111.04453	1.0
121.02846	2.3
123.04413	1.2
125.05994	27.2
127.03911	10.1
131.04941	1.2
137.02322	1.4
137.05966	1.6
139.03908	5.6
144.08119	1.1
145.04938	4.1
153.01892	5.7
153.05464	48.5
154.06239	19.1
155.03265	1.4
159.02879	4.2
165.01843	2.3
167.07051	2.8
170.05757	8.3
178.06239	2.1
185.08092	89.0
194.05785	3.3
205.09816	1.1
209.08089	6.8
213.05586	1.7
221.07994	1.3
227.09172	3.6
236.06818	2.9
241.05058	1.8
247.09677	1.3
251.09157	3.2
258.05124	2.2
275.09204	2.2
287.05490	100.0
288.05807	2.6
293.10181	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1133
Annotation	SCHEMBL1689483
Peak:m/z	Relative Intensity
56.05021	1.3
57.85212	0.3
58.35827	0.3
59.76240	0.3
60.04507	0.5
61.01147	1.2
65.95684	0.3
68.99789	0.9
69.03415	0.7
69.07063	1.0
69.78700	2.5
70.06578	1.3
71.04987	0.7
72.08159	1.6
74.06055	0.5
79.05502	0.4
81.03422	0.6
84.04471	0.3
84.08145	4.5
85.02915	2.2
86.09705	13.7
87.00858	0.4
87.05601	0.3
91.05470	0.6
95.08627	0.3
97.02860	0.7
98.06038	0.6
98.20817	0.7
103.03941	0.4
104.05300	1.3
105.03384	0.6
107.04960	2.1
109.02891	0.7
110.07165	0.4
111.00787	0.9
120.08060	0.4
121.02850	3.5
123.04397	0.4
125.05989	1.1
127.03913	2.4
129.06943	0.3
129.10220	1.9
130.08633	2.2
131.05037	0.4
133.02867	0.7
133.31339	0.3
135.04378	0.6
137.02361	1.7
139.03876	0.6
141.07037	0.4
146.06281	0.5
147.04419	1.0
147.11263	2.7
153.01848	5.3
153.05460	1.7
154.06274	0.8
157.06470	0.5
165.01814	2.2
170.05809	0.4
171.04344	0.4
174.38551	0.3
183.02924	1.4
185.06050	0.8
185.08101	3.0
187.14465	0.9
197.05963	0.5
209.08136	0.4
213.05464	1.8
215.07013	0.5
215.13921	0.6
219.02890	0.4
225.05569	0.7
227.09215	0.4
231.06633	0.6
239.07089	0.4
241.04985	1.3
253.05011	0.4
258.05222	1.6
259.05975	0.4
260.19656	1.7
269.20993	0.3
271.06003	9.7
287.05490	100.0
288.05768	2.3
288.77200	0.3
309.07419	0.4
389.14047	1.2
433.12833	3.8
433.24713	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1132
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
53.03933	0.3
56.60342	0.2
56.96542	0.2
67.05487	0.3
68.99771	1.1
69.03419	0.3
69.07064	0.2
69.51202	1.8
70.06608	0.2
71.04999	0.4
75.47544	0.2
79.05491	0.7
81.07055	0.4
85.02894	0.3
91.05466	0.2
95.04956	0.3
95.08628	0.2
97.02883	0.5
103.05469	0.2
105.03395	0.4
105.06967	0.3
107.04956	0.8
111.00792	1.0
111.04419	0.3
112.23492	0.2
117.19814	0.2
121.02866	3.3
127.03944	0.3
129.06987	0.2
133.02841	0.3
137.02347	1.0
145.06488	0.4
147.04430	1.0
153.01822	5.3
157.06490	0.5
161.05919	0.4
165.01830	2.5
167.06992	0.4
171.04413	0.2
181.04929	0.7
183.02913	1.3
185.05930	0.7
189.05498	0.3
213.05402	1.8
231.06512	0.9
241.04955	0.9
241.08717	0.2
258.05151	1.3
259.06073	0.4
271.06003	0.3
281.07813	0.2
287.05487	100.0
288.05835	2.2
403.14087	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1129
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
55.05476	0.4
57.80296	0.2
58.47553	0.2
58.97355	0.2
64.71916	0.2
67.05484	0.7
69.03412	0.4
69.07048	0.6
70.06543	0.3
71.05006	0.3
71.58444	0.5
74.40208	0.2
78.16827	0.3
79.05461	0.8
81.03387	0.3
81.07049	1.5
85.02870	1.0
85.06498	0.4
91.05458	0.8
93.07034	1.0
95.04964	0.6
95.08575	0.6
97.02854	0.6
97.06470	0.3
105.07007	0.7
107.04923	1.1
107.08566	0.6
109.02813	0.3
109.10115	0.5
110.80236	0.3
115.05463	0.2
115.51151	0.2
119.08566	0.7
121.06495	0.5
121.40427	0.2
123.04384	0.4
125.09664	0.2
131.04860	0.3
131.08521	0.3
136.07564	0.4
137.05980	0.4
142.47456	0.3
145.06427	0.3
145.10056	0.4
147.04350	0.7
147.11644	0.3
153.01831	0.8
161.05920	0.4
167.07021	0.9
171.06598	0.3
181.04939	2.1
197.13538	0.3
215.43562	0.3
221.08115	0.7
229.05002	0.4
233.04355	0.3
242.11761	0.4
249.07567	0.3
257.04337	0.3
258.05237	20.0
259.05429	0.4
261.03961	0.5
269.08093	0.6
270.08151	0.5
271.08682	0.8
283.06021	0.3
286.04703	36.6
287.05411	2.1
287.08298	0.3
301.07047	100.0
302.07361	3.1
403.13919	0.5
415.10016	0.3
433.18219	0.8
433.26501	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1126
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
53.03932	0.7
55.01870	0.9
55.05511	0.8
57.03437	3.1
57.93071	0.7
64.77698	0.6
67.05486	2.0
68.99780	0.8
69.03403	0.7
69.07058	1.3
70.06591	1.3
71.04990	17.1
71.58566	0.7
72.82835	0.5
75.04471	0.7
79.05493	1.5
79.81946	0.6
81.03416	1.1
81.07028	1.2
82.06548	0.6
83.04976	1.0
84.75552	0.6
85.02904	18.0
85.44579	0.6
87.04447	0.6
91.05473	1.8
93.07037	1.4
95.04969	1.9
95.08607	1.2
97.02875	0.7
97.06522	0.9
105.03407	0.6
105.07030	1.3
107.04938	2.0
109.02881	0.9
109.06538	0.7
111.00757	1.0
119.08566	1.0
121.02857	2.9
121.06505	1.0
121.10139	0.7
123.04424	1.0
129.05463	2.7
133.06485	0.7
135.04379	0.7
137.05965	1.4
139.03903	1.1
145.06445	1.3
145.10158	0.7
146.13538	0.7
147.04428	1.1
149.43503	0.6
151.03886	0.7
153.01834	4.9
157.06519	0.9
157.29889	0.6
161.05966	1.1
163.03931	1.0
165.01891	1.1
167.06944	2.9
177.05670	0.8
181.04956	5.6
183.06522	1.2
189.05475	0.8
212.55476	0.7
213.05479	1.9
221.08041	0.7
233.08121	0.6
253.13940	0.6
258.05334	1.6
259.06216	0.8
261.03867	1.2
271.06104	1.2
283.05826	3.2
284.06705	1.0
287.05493	100.0
288.05847	2.4
301.07010	2.1
313.06979	2.3
363.82419	0.7
379.07913	1.0
397.09082	1.0
403.13739	1.8
415.10007	2.0
433.10898	1.2
439.60138	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.113
Annotation	Kaempferide 3-alpha-L-arabinopyranoside
Peak:m/z	Relative Intensity
55.05505	0.5
57.03433	2.8
60.27071	0.4
61.02919	0.7
65.03938	0.4
67.92226	0.4
69.72163	2.6
72.08138	1.1
73.02916	5.8
81.03395	0.4
81.07039	0.6
84.08115	1.0
85.02893	0.9
92.02640	0.4
93.03403	1.3
93.07017	0.5
95.04908	0.4
95.08552	0.5
97.02883	0.5
108.73751	0.3
109.02862	0.4
115.05460	0.4
121.02862	1.5
123.04442	1.0
137.02335	9.9
137.06061	0.5
141.07028	0.4
148.48477	0.3
148.49731	0.4
149.02357	0.5
149.09561	0.4
151.03870	1.4
157.06255	0.4
157.07578	0.5
163.03940	0.5
169.06525	0.5
170.34619	0.4
185.05923	0.7
185.11465	1.0
187.03961	0.8
197.95355	0.4
201.05472	0.7
202.06189	0.7
212.04704	1.3
213.05444	3.1
213.11073	1.1
219.80789	0.4
223.07619	0.4
229.04893	1.4
230.05669	3.6
241.04880	2.2
244.03621	0.7
250.74266	0.4
257.04477	1.7
258.05209	4.5
268.03824	0.7
269.04413	4.3
271.06009	14.1
272.06564	0.5
283.10397	0.4
285.03885	0.7
286.04724	15.1
287.05219	0.6
301.07059	100.0
302.07376	2.7
347.16928	2.0
389.17780	9.1
420.85645	0.5
433.11285	0.8
433.16748	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	433.1129
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
51.12442	0.5
51.50477	0.5
63.51979	0.5
67.01862	0.6
69.03417	1.2
69.67991	1.3
69.68418	2.1
81.03421	0.7
84.08119	0.9
85.02901	3.8
97.02879	1.8
109.02852	0.5
109.51694	0.5
117.59717	0.5
119.04935	1.9
121.02867	0.8
122.56177	0.5
127.03941	0.7
137.02328	1.1
153.01822	2.9
161.54765	0.6
163.03984	0.9
165.09172	0.7
171.02792	0.5
175.97734	0.6
178.55092	0.5
197.70229	0.6
215.06949	1.0
221.24878	0.5
225.05492	0.8
253.05139	0.5
271.06012	100.0
272.06317	3.6
283.05984	1.9
313.06912	1.1
315.75696	0.5
337.06964	0.6
390.75558	0.5
448.65439	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1132
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
53.03928	0.4
55.01859	0.6
57.03418	0.6
60.04503	0.6
61.02916	0.9
65.03947	0.3
69.03432	3.9
69.07073	0.3
70.06587	0.9
71.01337	1.3
71.57735	0.5
72.08143	0.6
73.02912	1.0
79.05510	0.4
81.03397	1.2
81.07048	0.5
84.08147	3.2
85.02906	7.0
85.03420	0.4
86.09711	2.9
87.04481	0.5
88.03974	0.4
91.03957	0.4
91.05502	0.4
93.07040	0.4
95.04943	0.4
95.08603	0.4
97.02889	2.2
105.03384	0.4
107.04948	0.4
107.08611	0.3
109.02863	0.7
109.07706	0.3
109.10191	0.3
110.07164	1.9
111.04480	0.3
116.07114	0.4
120.08085	0.4
123.04399	0.4
124.95988	0.3
127.03913	1.6
127.36430	0.3
129.10228	0.7
131.08571	0.3
133.02847	0.4
135.04443	0.4
135.10054	0.3
137.02344	7.8
139.03944	0.3
141.06975	1.3
145.04945	0.4
146.05969	0.3
147.06395	0.3
149.02377	0.3
153.01849	0.5
161.02333	1.0
167.07076	0.9
169.06468	1.9
173.06033	0.5
181.04982	0.6
181.06512	1.0
183.04323	0.5
187.07555	0.9
197.05994	3.5
200.04619	0.4
201.05482	1.2
209.05663	0.3
213.05487	0.7
215.07047	6.9
221.08095	0.3
225.05463	7.8
226.05844	0.3
234.18446	0.5
241.04924	0.4
241.08588	0.8
243.06543	0.6
253.04959	3.7
270.05072	0.5
271.06015	100.0
272.06320	2.3
295.05859	0.4
303.05005	4.1
304.05182	0.5
313.07062	1.1
316.06009	0.4
341.09872	0.3
403.14383	0.3
433.11069	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.113
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
69.91109	17.1
71.04997	13.8
71.62352	2.5
77.74124	2.8
81.07045	3.1
85.01023	2.8
85.02908	11.7
98.21391	5.7
140.91196	2.8
153.01860	3.9
190.33675	2.7
244.55736	3.2
247.17323	3.0
252.62743	2.9
271.06091	6.8
278.44186	3.3
283.05957	4.9
287.05490	100.0
348.02759	3.4
397.09253	5.3
433.18280	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	433.1129
Annotation	6-C-beta-D-Galactosylapigenin
Peak:m/z	Relative Intensity
50.99841	1.7
52.97454	1.7
57.03413	1.8
57.75039	1.5
61.03821	1.6
66.30407	1.7
71.12891	3.9
73.04331	1.6
74.99281	1.8
79.01818	2.4
81.03414	2.0
81.65176	2.0
83.19841	1.6
85.02890	2.0
86.47186	1.6
98.24136	1.8
109.28853	1.9
119.04919	4.5
121.02874	18.2
145.02768	4.4
163.03821	2.4
165.01842	7.1
183.02887	7.0
187.03841	2.3
213.05420	3.1
255.06491	5.2
256.07376	8.6
261.03925	3.2
267.06458	3.8
271.06079	12.5
281.08215	2.2
283.05997	97.6
284.06738	36.0
285.07462	3.2
295.06058	17.5
297.07581	14.9
309.07486	13.9
311.05493	2.9
313.07040	100.0
314.07382	3.9
323.05621	3.1
323.09076	19.4
325.07004	5.6
333.07553	2.5
337.07056	28.9
343.08176	3.8
346.69669	1.9
349.07156	6.0
351.08606	6.1
361.07129	4.3
367.08136	23.2
379.08136	17.9
397.09171	38.4
415.10159	41.3
433.11279	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	433.113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.2
55.01843	0.2
59.48177	0.2
65.03928	0.2
68.99792	0.8
69.03409	0.4
70.06211	0.3
70.06590	4.6
71.58443	0.2
79.05455	0.2
80.44032	0.2
80.44651	0.2
81.03407	0.4
85.02899	0.6
86.09696	0.6
87.47739	0.2
89.03939	0.2
95.01302	0.2
97.02898	0.4
97.06538	0.2
106.70860	0.2
107.04945	0.4
109.02863	0.4
111.04422	0.5
114.05592	0.2
116.07091	2.6
117.03351	0.2
119.08604	0.2
121.06492	0.2
123.04408	0.3
125.06068	0.2
127.03893	0.5
128.10690	0.2
135.04407	1.7
135.36130	0.2
137.01350	0.4
137.02335	4.6
137.05997	0.2
139.03882	0.3
141.07033	0.3
142.42610	0.2
151.52798	0.2
151.54053	0.2
153.01831	0.4
155.03387	1.5
157.06456	0.3
161.02325	2.3
163.05823	0.2
167.07051	0.4
169.06557	0.3
171.10245	0.2
173.05901	0.2
179.03427	0.3
181.04945	0.8
185.05978	0.3
187.03885	0.2
187.07407	0.2
197.05849	0.3
203.03461	0.2
207.02774	0.3
219.10175	0.2
221.08130	0.3
225.05489	0.2
243.06483	0.3
253.04947	0.5
260.11340	0.6
271.06003	100.0
272.06326	2.7
278.12308	1.9
301.07083	0.3
338.89362	0.2
347.12201	0.2
354.90164	0.2
371.11469	0.8
389.12915	0.5
397.08896	0.2
403.13858	0.3
415.10101	0.4
433.11298	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1127
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
51.80649	0.3
65.96504	0.3
68.99784	0.8
69.03436	0.5
69.37200	0.3
70.06564	0.4
70.37855	1.2
70.38239	0.5
81.03432	0.6
89.03943	0.3
95.01328	0.4
96.07117	0.3
111.04411	0.4
135.04419	1.6
137.02316	4.6
137.05908	0.3
152.50223	0.3
155.03383	1.2
157.06522	0.3
161.02351	3.0
181.04984	0.4
183.02950	0.3
185.05968	0.5
197.05869	0.5
207.14088	0.3
223.11406	0.3
225.05498	0.3
243.06676	0.7
253.04944	0.7
271.06000	100.0
272.06354	2.9
433.11230	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1128
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
60.53028	0.2
67.01857	0.4
68.99809	0.2
71.58904	0.2
81.47643	0.2
85.02887	0.2
85.07664	0.4
91.05462	0.5
119.04926	2.0
121.02883	0.6
129.01801	0.2
133.10173	0.2
134.38542	0.2
142.74464	0.2
145.02806	0.8
153.01820	4.6
163.03917	0.4
171.02943	1.0
181.04974	0.4
197.06000	0.2
225.05486	0.3
229.04897	0.3
243.06573	0.6
271.05997	100.0
272.06314	3.0
409.81238	0.2
433.11411	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1132
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
52.29364	0.1
53.03947	0.1
55.01867	0.2
55.81376	0.1
57.03421	0.1
62.05582	0.1
67.01870	0.2
68.99789	0.8
69.03426	0.2
69.93014	0.6
69.98524	0.1
71.01360	0.1
71.04985	0.2
79.05480	0.3
81.03406	0.4
85.02909	1.0
87.00816	0.1
95.01367	0.1
95.04967	0.1
97.02881	0.3
103.05444	0.2
105.03374	0.4
106.99236	0.1
107.04948	0.6
109.02903	0.6
110.03631	0.2
111.00800	0.8
111.04435	0.3
121.02866	3.4
121.03837	0.2
125.05970	0.7
127.03902	0.5
133.02820	0.5
135.04352	0.2
137.02354	1.2
139.03929	0.2
145.06506	0.3
147.04378	0.7
153.01828	5.7
153.05450	1.3
154.06218	0.5
157.06476	0.5
161.05927	0.2
165.01846	2.3
170.05740	0.3
171.04381	0.2
179.03459	0.1
183.02901	1.1
185.05995	0.5
185.08089	2.5
189.05484	0.2
197.05936	0.2
199.64694	0.1
203.03500	0.2
203.07051	0.2
213.05466	1.7
227.09047	0.2
231.06487	1.1
241.04971	1.0
258.05258	1.3
259.06015	0.5
269.04453	0.2
287.05490	100.0
288.02618	0.2
288.05829	3.1
358.00562	0.1
433.11642	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	433.1131
Annotation	Sophoricoside
Peak:m/z	Relative Intensity
65.03926	0.3
68.99786	0.9
69.96849	1.0
70.06599	0.3
81.03397	0.6
82.85435	0.2
85.02913	0.3
86.09684	0.2
95.01332	0.2
105.07025	0.3
107.04919	0.4
109.02849	0.3
111.04403	0.6
117.03397	0.3
127.03906	0.3
128.52318	0.2
135.04425	1.9
137.02345	4.9
141.07008	0.3
155.03369	1.7
161.02356	2.7
163.03940	0.4
167.07059	0.4
169.06425	0.4
173.05951	0.2
176.50096	0.2
181.04915	0.9
185.05983	0.5
185.07744	0.4
197.05939	0.5
203.03520	0.2
203.41977	0.2
213.07341	0.3
215.06987	0.4
219.02832	0.3
221.07986	0.3
225.05377	0.2
243.06395	0.3
249.07498	0.3
253.04958	0.5
271.06006	100.0
272.06332	3.1
347.13080	1.1
377.03033	0.2
378.14838	0.2
389.14157	5.4
403.13657	0.4
433.13123	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	432.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	53.4
71.41897	1.5
72.96053	3.8
74.97592	1.1
83.97669	0.8
84.08144	2.1
84.96034	1.4
85.02887	1.5
86.09698	8.8
98.97583	3.3
100.07642	0.8
110.97618	0.9
115.00674	0.8
116.98618	1.7
121.06512	2.8
126.02274	2.4
128.98607	2.8
129.10283	1.3
132.10158	1.4
134.99718	1.5
136.06276	1.0
137.05980	2.2
140.03853	3.1
142.01784	1.0
142.05409	2.9
144.03343	3.0
146.99675	2.5
158.04904	11.8
160.06459	16.4
170.04861	4.1
171.03267	1.8
176.05948	5.3
178.07506	8.9
188.05951	16.2
188.07578	1.1
189.04350	15.7
206.07007	22.8
206.08932	1.2
207.05421	14.1
207.07265	1.6
219.01805	1.1
224.08060	41.0
229.08530	1.0
237.02858	1.5
238.03188	1.3
242.09119	1.2
301.14182	15.4
301.17001	1.0
302.12836	3.7
319.15399	100.0
320.15631	2.6
337.16443	23.9
338.17160	1.0
342.16943	6.7
390.04462	2.0
432.24799	0.9
433.39532	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08421	0.7
53.03942	1.2
55.05511	1.3
57.03429	1.7
58.06594	0.8
61.02920	1.6
67.05508	1.1
69.03442	5.4
69.07054	1.5
70.06583	2.7
71.01356	1.4
71.58362	0.8
74.06059	0.8
79.05482	1.2
80.73660	0.6
81.03421	2.2
81.06992	0.6
83.04934	0.8
84.08176	0.7
85.02907	8.9
86.09701	1.8
87.04480	1.2
91.05454	1.0
93.07030	1.3
94.06567	1.2
95.04972	1.0
95.08598	1.7
97.02888	2.8
105.07020	1.7
107.04960	1.2
107.08599	2.0
108.08141	0.7
109.02908	1.1
109.06522	0.7
109.10165	1.1
116.07111	1.3
119.04966	0.7
119.08585	1.8
121.06501	0.8
121.10140	2.2
127.03910	2.4
131.08611	1.0
133.10173	2.0
135.08080	0.7
137.02339	8.9
137.05988	1.6
137.09587	1.7
141.06963	1.1
146.06023	1.6
149.09650	0.9
153.01945	0.6
161.02377	1.1
161.09572	0.9
164.07083	1.3
167.07069	1.8
169.06482	2.0
173.10754	1.0
173.13434	0.8
178.12271	3.3
181.04991	1.2
181.06396	1.0
181.11467	0.7
183.06517	0.9
187.07596	0.9
191.14342	1.4
197.05965	3.9
201.05573	0.8
209.15367	1.9
210.02097	1.5
210.70595	0.8
215.07004	6.4
219.09093	1.0
225.05450	6.9
228.08876	1.2
234.18578	3.2
235.16913	0.9
240.19572	2.2
243.06502	1.2
247.08650	1.2
252.19646	4.8
253.05005	4.7
255.11357	1.2
265.09705	1.5
270.04379	1.8
270.07510	1.1
270.20679	2.6
271.06024	100.0
283.10468	1.0
293.09390	1.4
303.05017	7.6
311.10220	5.7
313.06958	0.8
329.11334	5.4
432.25854	2.3
433.11273	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07724	0.9
54.26780	0.7
56.96555	3.9
69.03423	1.9
69.61259	0.8
70.06602	0.9
70.77338	2.4
78.92345	0.7
84.96057	1.5
85.02915	2.0
86.09715	1.0
91.05450	4.5
93.07049	4.8
95.04932	1.4
97.02917	2.5
98.97588	3.0
103.05465	2.9
106.91158	0.8
110.87819	0.8
110.97571	1.1
116.07108	2.8
116.98624	3.2
121.06503	100.0
122.06845	1.5
128.98616	2.2
134.99696	1.1
136.06165	1.9
137.05971	4.6
138.09134	26.2
146.99622	1.7
153.01822	1.3
154.08636	1.9
158.99643	1.3
161.01242	2.0
175.67560	0.9
177.00752	1.0
201.00578	1.0
218.03246	0.8
219.01831	1.9
237.02803	4.8
238.03198	1.1
253.33389	0.9
270.13483	0.9
289.12939	2.0
372.02933	1.1
390.04248	3.7
414.17496	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.6
55.01867	6.8
55.05499	2.1
57.03447	5.1
60.66228	0.8
61.02929	8.3
61.15155	1.1
63.39861	1.1
66.38304	0.9
68.99777	4.4
69.03429	38.0
69.26733	0.9
70.06586	1.6
71.04981	4.2
71.58108	1.5
72.08143	1.2
73.02927	5.6
79.05500	1.1
81.02985	1.6
81.03419	25.3
85.02903	100.0
86.09699	3.6
87.00829	42.9
89.34998	1.0
91.03939	1.2
91.05444	1.5
93.07079	1.2
97.02889	25.4
99.04459	11.7
101.02358	1.0
103.03922	4.2
105.01866	53.1
107.04952	58.2
108.04465	2.5
109.02876	28.4
110.07172	1.6
117.01842	2.5
119.04912	2.6
121.02879	2.4
121.06531	2.3
125.26259	0.9
127.03915	51.8
129.01833	3.9
129.58261	1.0
130.04106	1.2
131.04918	9.1
133.02820	1.4
137.02324	1.9
145.04956	20.3
145.06415	2.9
147.02898	2.4
149.05959	13.5
149.09639	5.3
153.01765	1.7
159.02904	9.7
169.06459	1.4
171.02899	1.6
173.05975	7.3
173.09628	8.3
184.14085	1.0
189.03937	10.4
191.08035	1.2
191.10626	4.7
197.05939	1.5
204.06593	1.5
211.11127	1.7
213.03923	2.6
213.08971	1.1
215.07051	2.8
215.10641	6.5
231.05022	12.5
233.11655	1.6
239.10736	2.2
245.30453	1.0
249.06021	2.6
257.11740	6.9
271.06012	49.2
275.12714	1.4
283.06076	2.2
287.05505	32.9
355.10147	1.2
440.80240	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13341	4.3
53.03960	4.9
55.01882	10.4
57.03427	5.5
58.87220	4.7
60.69014	4.7
68.46333	5.2
69.03431	31.6
69.83360	33.5
70.70171	5.2
76.94968	4.4
79.05483	7.0
81.03418	24.7
83.96796	4.4
84.04453	5.6
85.02903	100.0
86.09675	11.1
87.00822	40.5
97.02890	28.6
99.04462	16.5
105.01863	52.1
107.04951	65.1
109.02879	25.0
119.04945	6.3
120.08115	5.9
121.06541	5.7
127.03931	54.7
129.01801	6.5
145.04999	18.5
149.05974	10.6
149.09680	7.7
151.10963	6.3
153.01860	8.4
154.38567	4.6
158.18687	4.8
159.02957	14.5
163.11623	5.2
173.05980	8.5
173.09689	8.3
189.03908	12.7
205.15036	5.4
231.05067	16.5
257.11731	8.4
271.06012	63.4
287.05554	32.5
313.38562	6.0
338.20770	6.3
413.74103	5.6
432.16913	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	431.279
Annotation	Pittosporatobiraside A
Peak:m/z	Relative Intensity
55.26286	4.0
56.38147	3.5
63.05910	3.8
69.07059	22.1
70.85268	14.5
93.07088	7.0
95.08625	5.2
101.42933	4.3
107.08566	6.1
109.10170	4.9
123.11688	11.9
135.11699	10.6
137.06143	5.0
149.09587	5.8
153.05450	6.5
162.06686	5.8
163.07555	13.2
165.05457	67.3
165.95622	4.0
177.09087	7.0
187.07533	5.3
196.98650	4.4
199.69579	4.9
202.35159	4.6
205.08601	77.9
221.11737	28.2
223.09651	100.0
249.59743	4.0
269.97482	5.2
287.16458	32.4
305.17374	7.7
338.72098	4.3
345.20712	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	431.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.9
55.01866	6.6
55.05507	17.9
57.03436	28.6
57.07070	2.9
61.02927	59.8
64.32764	2.1
67.05502	75.4
69.03429	31.3
69.07070	28.1
69.50922	14.2
71.01343	4.7
71.04985	9.0
73.02917	30.4
75.04474	2.2
79.05492	43.6
81.03417	25.8
81.07054	100.0
82.07397	2.3
83.04965	13.8
83.08623	16.2
85.02903	62.7
85.06532	7.0
87.04459	5.5
91.03951	35.1
91.05470	23.9
93.07040	70.0
95.04939	9.3
95.08607	32.3
97.02891	57.2
97.06518	14.8
99.04448	14.5
99.08086	5.6
101.02376	14.1
103.03934	6.6
105.07044	10.4
107.04951	3.6
107.08590	43.5
109.02890	17.0
109.06512	4.4
109.10148	6.3
111.08073	9.9
115.03910	5.5
117.07017	7.6
119.08582	5.1
120.39050	2.2
121.06496	2.3
121.10149	23.1
123.08080	1.8
123.11650	2.7
127.03926	33.3
129.05486	5.2
131.08563	14.5
133.10085	10.6
135.08044	2.6
135.11673	16.8
137.06003	2.8
139.11172	3.0
145.04964	9.0
147.11662	3.6
149.09537	2.1
149.13245	77.1
150.13586	2.9
159.11693	29.2
167.07045	2.3
177.12729	22.4
183.06508	6.0
195.13773	49.6
201.07561	4.5
213.14894	6.9
256.36612	2.1
269.17471	78.5
270.17889	3.7
297.17065	4.2
311.18518	4.3
413.21335	6.8
431.13245	4.0
431.22528	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	431.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	15.5
57.03429	13.2
61.13788	4.7
67.05501	32.9
69.07074	8.2
71.03143	8.8
79.05491	27.2
80.11365	4.8
81.07047	37.6
81.54128	4.7
91.05456	41.8
93.07043	44.1
95.04936	5.7
95.08607	29.5
98.98467	100.0
105.07028	47.8
107.04983	6.3
107.08600	32.7
109.10110	6.9
117.07010	15.9
119.08572	67.6
121.10146	26.6
129.05498	5.7
129.07005	5.3
131.08592	23.2
133.10139	38.4
135.11681	15.8
143.08572	7.2
145.10143	27.6
147.11681	45.5
149.13263	11.8
155.01074	7.0
157.10135	16.2
159.11670	13.4
161.13275	46.3
163.14783	8.1
171.11687	20.4
173.02100	26.5
173.13271	15.4
175.14833	30.0
184.07343	5.0
185.13268	13.6
189.12611	6.3
199.14801	9.4
217.19574	5.7
231.21100	11.2
241.19487	68.5
259.20602	81.3
295.30093	6.5
333.24231	99.7
400.05405	5.0
412.51648	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	431.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	2.7
55.01875	2.9
55.05507	12.3
57.03433	6.6
57.07072	4.0
67.05508	28.2
69.07060	10.1
70.08137	7.9
71.04980	2.9
71.08600	2.6
75.04456	2.5
75.12427	2.2
79.05490	25.9
81.03402	3.6
81.07063	30.1
82.71044	2.3
83.04964	3.6
83.08611	4.9
85.02914	2.9
85.06517	2.7
89.38548	2.1
91.03979	3.4
91.05473	36.9
93.07053	30.4
95.04971	3.5
95.08610	20.6
97.02866	3.8
97.06475	4.1
97.10178	2.6
98.98468	100.0
99.77134	2.3
105.07030	33.4
107.08582	19.9
109.06532	2.2
109.10174	8.3
116.99463	4.2
117.07024	9.2
119.08592	41.4
121.10124	14.8
128.06216	2.7
129.06982	6.7
131.08569	19.3
133.10129	28.1
135.11716	12.1
143.08563	8.6
145.06250	2.9
145.10112	12.6
147.11676	30.2
149.13258	7.7
155.01025	6.7
157.10135	8.0
159.11694	15.3
161.09622	3.1
161.13272	29.3
163.11237	2.5
163.14908	3.9
171.11754	11.3
173.02122	22.7
173.13237	13.2
175.11209	3.0
175.14848	25.8
185.13260	9.3
187.14784	3.5
199.14893	4.4
200.56454	2.6
212.31662	2.3
217.19456	2.7
231.21051	9.5
240.89331	2.7
241.19516	35.2
255.89915	2.2
259.20596	56.0
276.87701	2.3
315.23184	3.6
333.24246	29.2
402.66315	2.8
413.20908	5.6
431.21753	8.3
431.27765	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	431.149
Annotation	Stypandrol
Peak:m/z	Relative Intensity
63.02002	0.6
63.23078	0.6
67.05491	0.8
70.22590	2.6
76.31579	0.6
113.00036	0.7
119.04925	0.7
121.06500	1.1
128.62152	0.8
132.05664	1.1
133.06462	0.9
135.04416	1.5
147.04436	2.2
148.05234	0.9
155.01152	0.6
155.04916	1.4
169.06488	1.4
171.04375	1.2
176.04681	0.9
186.06744	1.8
196.05238	1.3
197.05995	0.8
199.03885	3.0
213.05507	2.7
214.06279	4.0
239.07043	1.3
240.07765	2.3
241.04938	5.9
271.07483	0.7
273.09164	1.4
283.06113	0.7
287.07147	0.7
287.10580	1.3
290.09604	0.9
297.07602	0.6
301.08618	1.4
303.10196	1.5
311.09726	0.7
313.08676	0.8
315.06393	1.1
315.09985	1.2
316.11264	1.0
317.11942	1.1
318.08743	1.6
319.09634	1.4
321.07623	1.3
323.09027	1.1
329.08075	1.3
330.08997	1.0
331.09479	1.9
332.10559	0.9
333.11258	6.6
336.09808	0.9
343.09650	2.3
344.10425	6.1
345.11029	0.7
346.11935	0.9
347.09232	1.4
349.06674	0.6
349.10770	1.7
359.09259	0.9
360.51889	0.8
361.10715	15.1
362.11453	9.2
372.10065	3.7
373.10779	5.5
389.10110	9.1
390.10962	21.9
399.12274	1.8
403.15732	1.2
415.11899	0.7
416.12186	0.7
431.14902	100.0
432.15323	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65422	0.3
67.05505	0.5
69.03413	0.3
70.24266	1.4
73.85735	0.4
79.05499	0.5
81.07056	0.7
85.02886	0.6
91.05875	0.3
93.07043	0.6
95.08602	0.4
98.97562	0.3
119.44835	0.3
120.53040	0.3
131.08618	0.4
132.05716	0.9
133.06525	0.5
135.04411	0.6
137.05959	0.8
139.03819	0.4
146.47649	0.4
147.04436	0.4
153.01852	0.6
160.88962	0.3
167.07016	0.8
168.05721	0.4
168.24423	0.3
182.07350	0.6
183.08037	1.0
184.03654	2.9
197.05975	0.4
200.08354	0.6
210.06795	0.8
211.07513	1.8
213.05510	0.6
215.81348	0.4
221.14946	0.4
227.07072	1.6
228.07745	0.7
239.07013	2.9
240.07846	0.4
241.05031	1.0
243.10172	3.8
256.07315	6.5
267.06583	0.9
269.04694	0.4
283.06036	1.8
284.06799	15.1
285.07428	0.4
299.09137	100.0
300.09433	2.0
311.58160	0.4
431.28693	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1335
Annotation	Ononin
Peak:m/z	Relative Intensity
53.88617	0.3
67.05506	0.5
69.67609	3.1
72.31134	0.4
89.62386	0.4
93.07066	0.4
97.02905	0.4
98.20785	0.8
107.04939	1.9
118.04165	2.6
127.03940	0.6
133.06424	0.8
137.02325	1.2
153.01740	0.4
154.02574	1.6
170.07289	0.5
181.06502	0.7
182.07257	0.8
197.05939	1.1
198.06662	1.0
205.32281	0.5
213.09103	5.6
225.05440	0.8
226.06219	2.5
231.85452	0.4
237.05443	5.1
253.04956	4.9
254.05742	6.5
269.08069	100.0
270.08426	3.1
287.05453	0.7
377.05161	0.5
399.26065	0.5
443.21951	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96293	2.3
56.96564	36.2
67.17808	1.3
69.03422	1.4
70.06578	1.1
70.63599	1.1
71.09723	1.8
71.10046	1.1
74.97626	1.5
77.79555	1.2
79.64055	1.2
84.96035	13.6
85.02906	1.5
97.02856	1.8
98.97585	67.7
102.97047	2.8
105.81946	1.1
110.35659	1.1
110.97567	16.6
112.99145	3.6
116.07099	4.4
116.98621	52.2
121.06506	4.3
128.98604	37.7
128.99561	2.2
131.00156	6.5
133.13345	1.3
134.99651	24.4
136.06190	7.4
140.00186	2.3
140.98611	2.4
143.00131	10.8
144.23520	1.2
144.98080	1.2
146.99655	30.4
149.01237	5.6
152.98578	1.9
153.00702	2.7
158.99681	8.4
161.01225	28.8
162.99178	2.8
165.00769	4.8
170.99667	4.9
173.01207	1.3
175.53900	1.2
177.00717	14.2
179.02283	8.8
181.00423	1.3
182.99689	3.8
184.02780	1.7
189.00722	8.1
195.01768	2.8
201.00711	15.1
208.97629	2.0
219.01767	41.9
224.99599	1.7
226.98572	6.0
237.02820	79.3
238.03209	1.9
239.01131	5.5
242.03320	2.4
244.99706	19.0
255.03929	9.1
257.02179	1.3
260.04428	3.1
263.00754	28.8
264.00931	1.2
269.02179	1.7
287.00525	1.9
287.03497	6.2
298.11572	2.3
299.11758	5.2
311.00436	2.3
313.02512	1.8
323.00720	10.2
329.01743	1.5
341.01779	4.4
353.02011	3.9
359.02554	1.9
371.02823	25.9
371.07376	1.6
389.03894	100.0
390.04169	2.6
407.04950	3.1
412.05475	6.1
413.16360	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.9
55.01858	4.5
55.05496	12.2
56.05030	14.0
57.03428	6.8
58.06596	6.8
59.04983	10.3
59.09561	2.8
61.02917	6.4
66.16996	2.8
67.05487	12.9
69.03425	27.2
69.07056	9.5
70.06595	36.1
70.74146	9.9
71.01326	4.3
71.05000	4.0
73.02909	3.1
74.06068	3.5
79.05497	7.5
79.90044	2.8
81.03401	15.3
81.07047	14.6
83.04968	23.5
83.08628	6.6
84.04496	9.4
84.08133	11.8
85.02889	29.2
86.06042	4.5
86.09693	22.1
88.18248	3.5
91.05396	5.8
91.05852	6.0
93.07030	13.2
94.06567	4.9
95.04942	7.1
95.08607	20.2
96.04465	6.5
96.08127	10.1
97.02879	14.0
97.06545	5.6
98.06049	3.7
98.97563	3.1
98.98449	4.0
99.04469	8.2
99.80926	2.8
105.07011	9.4
107.04908	5.4
107.08578	21.6
108.08060	7.5
109.02888	6.5
109.06503	19.7
109.10178	8.7
111.08077	12.1
112.07531	4.0
114.05512	13.8
117.07008	6.7
117.09053	3.5
119.08585	16.4
121.10136	12.7
122.06028	3.1
122.09659	9.3
123.04456	3.9
123.08051	11.4
124.11253	3.4
125.09660	3.4
126.05521	4.4
126.09179	3.5
127.03943	16.1
131.08577	6.9
133.10103	16.6
135.08026	7.2
135.11707	10.0
136.11157	3.9
137.05969	6.5
137.09624	9.2
138.09177	3.1
140.07051	11.2
145.05002	3.6
147.04422	6.1
147.08034	4.5
147.11671	7.8
148.11272	3.5
149.09616	11.4
150.12691	4.5
153.09094	12.3
154.08618	5.1
157.04898	4.5
161.13150	3.4
163.11212	3.4
163.14745	3.2
173.13292	6.4
174.12733	4.5
175.11205	5.6
176.10709	9.4
177.05452	4.2
182.08138	8.1
186.07648	4.9
189.12729	15.0
191.14296	9.0
204.08685	14.5
206.15411	7.3
207.13805	9.7
222.09698	6.3
232.16911	25.2
233.15439	6.3
250.18050	100.0
251.18556	10.9
268.15668	2.9
268.19159	24.4
286.10434	3.8
356.17102	4.4
360.03000	4.9
361.02798	4.9
412.23358	32.7
430.24994	37.8
431.22787	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	430.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49675	16.7
66.58900	15.9
67.05506	34.5
69.03414	56.0
70.06581	68.5
71.10287	19.4
71.10628	33.9
73.02907	15.9
79.05473	26.7
81.07064	18.5
83.72755	16.0
85.02884	88.5
86.09711	22.7
91.05522	18.4
93.07041	23.9
95.04964	53.7
95.08620	73.6
96.04511	17.3
97.02884	42.0
107.04962	18.9
108.08109	100.0
114.05526	24.4
121.06482	21.7
121.10159	49.3
122.09576	20.7
123.08083	39.3
127.03901	38.6
129.06923	18.6
133.10182	23.9
135.11670	26.8
147.04407	67.6
149.09619	23.0
161.13257	25.2
176.10751	62.0
177.05467	25.5
186.06337	18.4
194.05353	18.1
206.15305	18.2
207.13841	79.3
232.16885	36.2
250.18083	76.9
268.19049	34.8
285.47867	19.3
402.05856	18.0
430.24466	24.4
431.18814	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	430.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.6
55.01865	17.1
57.03433	6.6
59.03786	3.7
61.02921	4.7
67.05470	6.2
69.03427	33.7
70.29726	15.3
71.04975	4.5
73.02907	10.9
81.03423	24.4
81.07052	3.9
85.02905	100.0
87.00820	19.7
91.03945	5.3
91.05439	4.1
93.07066	4.9
94.81248	3.7
97.02890	32.4
98.21555	4.9
99.04465	13.4
105.01873	21.1
108.04470	9.0
109.02867	27.9
117.01862	3.6
118.15289	3.3
127.03917	65.3
137.05991	9.8
145.04962	37.6
147.02911	6.8
150.62122	3.3
155.06029	8.3
159.02870	27.2
169.07520	7.3
183.05534	6.5
193.07600	5.2
195.05573	5.3
196.06291	4.5
197.07053	6.7
213.03896	5.0
213.06537	5.3
225.06641	13.1
229.06036	6.3
231.05003	16.2
239.08049	5.0
271.07083	8.6
285.08737	13.7
295.07047	9.4
313.08099	6.6
366.14508	4.6
370.14038	13.9
384.15326	7.5
412.15094	14.4
430.16220	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	430.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	12.9
56.05034	15.8
57.03424	7.1
58.06580	8.0
60.04529	4.1
61.02912	7.0
67.05498	12.2
69.03436	23.6
69.07058	11.2
69.99423	9.7
69.99826	8.2
70.06598	15.6
71.04987	5.8
72.08166	5.7
73.02899	4.7
74.06103	17.6
78.13229	3.0
79.05473	9.3
81.03414	12.3
81.07046	14.8
83.04977	24.5
84.04483	13.7
84.08124	8.3
85.02898	34.0
86.06049	5.4
86.09698	4.9
87.04459	4.3
91.05492	11.6
93.07030	13.2
94.06556	6.1
95.04949	10.0
95.08574	19.3
96.04503	4.9
96.08105	10.9
97.02902	21.1
97.06518	4.1
98.06044	10.1
98.09699	5.9
98.21428	5.1
99.04408	7.0
105.07009	15.5
107.04962	4.5
107.08596	20.3
108.08098	8.5
109.02882	8.4
109.06493	13.9
109.10148	4.5
110.06029	6.0
111.04436	5.9
111.08058	10.8
113.02353	3.1
119.08616	17.6
120.08083	4.1
121.10117	13.6
122.09682	4.9
123.04436	4.7
123.08093	14.5
126.05523	7.7
127.03921	10.0
131.05019	3.4
131.08594	4.4
133.10124	11.0
134.09676	3.5
135.08022	19.1
135.11671	8.6
136.11256	4.7
137.05968	8.5
137.09645	5.7
138.09145	5.5
140.07030	6.9
145.04959	3.7
145.10088	5.7
147.08029	8.0
147.11685	8.3
148.11154	7.3
149.09633	9.2
149.13213	5.2
150.12689	3.5
151.07465	3.8
153.09099	13.5
161.13206	4.8
163.11116	5.0
164.44754	3.9
165.12764	3.8
173.13261	3.6
175.11124	5.1
176.10678	6.5
177.12738	9.3
186.07584	8.9
187.05913	6.3
189.09148	4.4
189.12721	9.0
191.14282	6.8
192.21315	3.3
204.08690	16.7
206.15331	7.5
207.13870	7.3
209.15367	12.7
211.13297	3.6
220.16927	7.0
222.09679	8.3
224.16536	6.9
232.16972	24.2
233.15356	8.6
234.18365	4.7
234.61066	3.4
250.18036	100.0
268.19073	49.7
309.51019	3.6
362.77228	3.6
412.23257	25.3
430.24606	44.0
439.71719	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	429.3727
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05506	4.0
57.07070	13.2
67.05502	7.1
69.07066	10.0
70.49269	3.6
70.49622	11.6
71.08630	12.3
72.53111	3.0
79.05490	3.8
81.07075	16.3
83.08626	4.9
85.10168	8.7
91.05795	9.6
93.07053	4.8
95.08604	12.9
97.10152	3.2
105.07032	6.7
107.08596	9.6
107.25418	3.1
109.10165	10.4
119.08630	3.0
121.06509	2.9
121.10117	4.5
123.11739	4.0
131.08539	4.1
131.42207	2.8
133.10178	4.2
135.08000	4.5
135.25066	3.9
136.08818	3.9
137.09595	10.9
145.10115	5.9
149.09608	12.3
159.11726	3.4
163.11140	21.3
164.08257	5.0
165.09103	100.0
166.09444	3.6
167.05547	4.3
169.63197	3.3
173.13350	3.9
175.11183	8.9
177.09142	8.6
189.09129	3.7
191.10709	7.6
201.12674	3.3
203.10703	3.1
205.12291	13.1
244.43846	3.6
269.97415	3.3
304.68600	3.4
304.72272	3.3
359.02777	8.2
366.12167	3.5
424.08463	3.2
429.31714	14.6
429.37128	63.6
430.37668	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	430.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	1.0
57.03431	0.7
60.04501	0.2
61.02920	0.6
64.94897	0.2
69.03428	1.6
69.93460	1.2
70.06587	0.9
73.02924	0.6
73.04758	0.4
81.03408	0.5
84.04456	0.3
85.02910	3.3
86.09727	0.3
87.04455	0.2
91.03968	0.2
91.05833	1.2
94.04059	0.5
97.02882	1.4
98.97614	0.5
98.98470	0.4
99.04483	0.2
109.02890	0.7
110.97596	0.3
116.98622	0.6
119.01926	0.5
119.03557	1.1
121.06492	2.0
127.03902	0.9
128.98627	0.2
134.99686	0.3
136.06187	100.0
137.04605	1.4
137.06541	0.6
138.09180	0.5
143.03377	0.3
145.04941	0.4
146.99657	0.4
153.01825	2.3
158.99655	0.3
161.01234	0.3
161.02972	0.9
164.05264	0.3
167.05583	0.5
170.01193	0.2
181.00200	0.3
182.08130	0.4
203.03943	0.3
213.00662	0.3
223.01295	0.4
237.02861	0.6
250.10672	0.4
268.10379	2.7
298.11447	0.4
343.99799	0.3
360.03003	0.8
361.02737	0.3
389.03983	0.5
430.10419	0.2
430.15750	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	430.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67590	2.7
53.03934	7.9
55.01865	11.9
57.03431	7.0
58.28987	2.3
60.04526	2.7
61.02908	5.5
61.82080	2.6
64.49884	3.3
65.74194	2.3
66.59673	3.1
68.99796	5.6
69.03430	34.1
70.25790	3.3
71.04960	3.0
71.58829	4.2
73.02904	7.6
81.03416	34.7
85.02905	100.0
87.00834	33.3
91.03961	3.2
91.05785	7.4
92.06081	3.0
97.02902	40.0
99.04456	19.6
105.01868	32.2
105.07036	3.1
108.04478	14.5
109.02875	32.1
117.01868	5.1
126.05511	5.5
127.03919	74.4
129.01845	6.0
137.05978	15.7
145.04955	31.1
147.02902	7.3
159.02908	32.4
165.09099	11.7
177.09109	5.9
180.50438	2.9
189.09097	7.3
230.06458	3.1
231.04947	10.2
248.07701	5.7
387.96182	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	429.3724
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
51.12734	3.4
55.05511	7.3
57.07087	20.4
67.05493	10.5
67.34736	3.9
67.46690	4.0
69.07086	20.4
71.08624	15.1
71.34875	11.4
75.69273	4.1
79.05468	7.3
81.07046	28.4
83.08611	9.6
85.10169	7.4
91.05781	14.3
93.07039	13.0
95.08600	31.1
97.06539	5.6
97.10160	6.1
105.07035	11.0
107.08593	16.2
109.10133	15.8
119.08569	8.7
121.06488	8.8
121.10180	7.0
131.08566	6.9
133.10104	6.5
134.34633	5.0
135.08043	8.0
135.11804	5.0
137.09587	7.5
145.10121	6.9
147.11696	9.5
149.09627	9.9
149.13274	4.4
157.10127	7.0
159.11682	7.8
163.11209	12.1
164.08368	4.6
165.09108	77.6
167.05511	9.1
175.02483	4.7
175.11186	17.1
177.09155	6.1
191.10646	6.3
205.12277	7.6
219.13696	4.6
240.62685	5.1
257.04395	4.2
293.93027	4.2
359.02759	7.6
411.36313	21.1
429.31943	9.9
429.37225	100.0
429.43027	5.4
430.37921	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	429.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.1
57.03431	5.4
67.05505	12.7
69.03405	1.7
69.07051	3.9
71.08614	1.2
71.58882	1.8
71.59233	1.1
79.05500	10.3
81.03418	1.8
81.07062	12.8
85.02892	1.2
91.05385	5.5
93.07043	13.9
95.05001	2.1
95.08599	10.7
105.07010	4.8
107.07985	1.2
107.08604	8.8
109.10139	4.6
113.00015	100.0
114.05733	1.0
117.07001	2.0
119.08572	3.2
121.10136	5.8
123.11678	2.3
131.01047	2.3
131.08562	3.9
133.10133	2.1
135.11650	5.3
137.13229	1.9
139.01483	1.0
145.10121	3.9
147.11734	1.9
149.02306	1.4
149.13237	5.1
152.34502	1.0
159.11708	3.0
161.13260	2.7
163.14818	2.5
167.05576	1.4
169.02612	88.1
173.13274	3.2
175.14795	1.3
187.14822	2.3
211.13310	2.4
237.29782	1.1
243.21024	6.3
261.22113	19.4
262.22583	1.5
295.47174	1.2
349.99167	1.3
359.02811	1.3
363.13754	1.3
424.23114	1.4
429.32025	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.8
55.01869	2.3
55.05517	0.9
57.03421	2.3
58.99958	0.7
59.04995	1.1
61.02917	2.3
63.78566	0.8
67.05502	2.3
69.03433	12.0
69.07072	3.8
69.45904	7.2
70.82332	0.7
71.04984	2.6
73.02909	1.4
79.05501	3.7
81.03449	4.7
81.07052	4.4
83.08611	0.8
85.02904	23.1
85.06543	100.0
86.06862	1.1
87.04470	2.6
91.03953	1.3
91.05380	1.1
91.05820	2.8
93.07048	3.0
95.04960	8.3
95.08616	3.1
97.02901	8.6
97.06532	1.4
99.04462	1.5
103.05485	1.3
103.07580	5.9
105.07020	4.0
107.04992	4.2
107.08595	2.9
109.02864	4.1
109.06525	2.9
109.10151	2.8
111.04488	0.9
111.08084	1.3
117.07000	1.4
119.04942	1.1
119.08591	4.2
121.06482	1.4
121.10155	2.7
121.18029	0.7
123.04434	3.2
123.08036	1.3
123.11707	1.7
124.05203	1.8
127.03886	5.9
128.06195	0.7
129.98384	0.7
131.08554	1.0
133.06509	3.4
133.10133	2.9
135.08076	2.3
135.11687	2.1
137.05981	1.7
137.09561	1.9
139.03905	1.0
139.07486	3.6
145.04999	2.4
145.06454	1.1
145.10123	1.4
147.04483	1.1
147.11717	3.1
149.09660	2.4
151.07573	1.4
152.04672	1.2
153.09090	1.2
157.10164	1.5
159.11696	1.1
160.05237	1.7
161.05984	2.5
161.09602	0.7
161.13303	0.7
163.11252	1.9
165.09100	0.8
165.12749	8.8
167.05597	2.4
167.07074	11.5
173.06024	1.7
175.11229	2.5
179.10622	1.9
185.05965	1.2
189.05481	4.4
193.12206	5.8
201.05504	1.2
215.07120	1.3
219.06577	2.2
231.06523	0.8
231.17438	2.8
249.07689	3.1
249.18494	65.7
250.18857	1.9
267.16449	1.1
267.19415	6.4
268.17032	1.6
339.12296	1.6
359.02908	2.8
367.21005	1.4
429.15546	0.9
429.20728	1.9
429.25262	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19498	3.9
53.03937	11.8
55.01872	5.0
55.05516	19.5
55.84660	3.9
56.96557	4.3
57.03426	18.7
60.97517	3.8
61.02924	7.6
67.05499	27.2
69.03438	34.3
69.07051	11.6
69.31344	4.2
70.34186	3.6
71.04978	7.6
71.59040	6.0
73.02927	7.1
79.05480	26.4
81.03413	92.2
81.07054	34.6
83.04984	26.3
83.08613	27.5
85.02912	28.6
85.84274	3.9
91.05474	24.9
93.07045	22.0
95.04967	19.5
95.08595	15.3
97.02892	49.7
97.06521	8.9
97.10139	6.7
99.04434	7.1
101.05820	4.3
105.07029	21.4
107.08566	15.0
109.02875	15.1
109.06490	6.7
109.10166	8.6
111.04427	16.1
111.08060	12.3
117.07053	4.2
119.08556	20.5
121.06525	7.5
121.10124	15.3
127.03907	17.8
129.07025	7.8
131.08536	8.5
133.10101	6.5
137.06004	4.6
139.03912	6.4
142.07851	4.2
145.10124	9.3
147.11684	20.5
149.02342	10.9
149.09593	7.3
151.07549	15.0
154.83051	3.8
157.10086	9.6
163.11205	5.7
167.05585	6.5
171.11716	4.2
175.11165	17.1
183.06493	6.9
193.04993	9.6
193.10603	7.5
193.12254	69.7
211.13289	100.0
249.14784	8.6
259.93604	4.1
285.16931	18.4
341.18616	4.3
345.10785	4.3
359.02731	11.0
429.11771	9.3
429.21341	43.2
429.26743	6.3
429.29758	6.2
443.23444	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	429.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.0
55.01863	2.4
55.05505	7.3
57.03437	12.1
61.02917	1.5
67.05508	14.2
69.03429	17.9
69.07059	3.5
71.04980	4.7
71.58373	1.4
71.58795	2.0
73.02886	2.1
73.18542	1.3
73.40990	1.2
79.05499	13.6
81.03419	48.5
81.07059	18.8
83.04985	12.9
83.08624	12.2
84.08145	1.8
85.02905	12.0
91.05435	12.8
93.07043	12.1
95.04979	11.5
95.08625	10.6
97.02892	25.8
97.06499	2.1
97.10171	2.5
99.04436	4.8
100.91113	1.4
105.07040	12.6
105.75040	1.5
107.04953	2.6
107.08601	10.4
109.02219	1.4
109.02887	8.6
109.06557	1.9
109.10141	5.9
111.04445	5.5
111.08062	4.4
113.00021	100.0
117.06970	3.6
119.08552	9.1
121.10128	8.2
123.08092	1.4
123.11658	4.1
127.03933	6.6
129.05478	3.1
129.06987	3.6
131.01006	1.7
131.08540	10.3
133.10135	5.3
135.11650	4.9
142.07832	1.6
145.10074	4.5
147.11696	9.2
149.02330	2.0
149.09583	1.6
149.13261	4.3
157.10089	4.3
159.11693	4.0
163.14827	3.0
165.12764	2.6
169.02614	88.9
173.13281	5.0
175.11208	8.0
181.12250	2.4
188.02513	1.6
191.10579	2.2
193.05026	1.9
193.12254	35.2
211.13307	55.1
212.13412	1.5
227.12787	4.4
229.14326	1.4
243.21120	6.5
249.14746	2.1
261.22156	19.9
285.16995	3.4
325.79755	1.4
355.17474	1.8
385.09030	1.8
429.12302	1.8
429.21234	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	429.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.0
55.01863	2.4
55.05505	7.3
57.03437	12.1
61.02917	1.5
67.05508	14.2
69.03429	17.9
69.07059	3.5
71.04980	4.7
71.58373	1.4
71.58795	2.0
73.02886	2.1
73.18542	1.3
73.40990	1.2
79.05499	13.6
81.03419	48.5
81.07059	18.8
83.04985	12.9
83.08624	12.2
84.08145	1.8
85.02905	12.0
91.05435	12.8
93.07043	12.1
95.04979	11.5
95.08625	10.6
97.02892	25.8
97.06499	2.1
97.10171	2.5
99.04436	4.8
100.91113	1.4
105.07040	12.6
105.75040	1.5
107.04953	2.6
107.08601	10.4
109.02219	1.4
109.02887	8.6
109.06557	1.9
109.10141	5.9
111.04445	5.5
111.08062	4.4
113.00021	100.0
117.06970	3.6
119.08552	9.1
121.10128	8.2
123.08092	1.4
123.11658	4.1
127.03933	6.6
129.05478	3.1
129.06987	3.6
131.01006	1.7
131.08540	10.3
133.10135	5.3
135.11650	4.9
142.07832	1.6
145.10074	4.5
147.11696	9.2
149.02330	2.0
149.09583	1.6
149.13261	4.3
157.10089	4.3
159.11693	4.0
163.14827	3.0
165.12764	2.6
169.02614	88.9
173.13281	5.0
175.11208	8.0
181.12250	2.4
188.02513	1.6
191.10579	2.2
193.05026	1.9
193.12254	35.2
211.13307	55.1
212.13412	1.5
227.12787	4.4
229.14326	1.4
243.21120	6.5
249.14746	2.1
261.22156	19.9
285.16995	3.4
325.79755	1.4
355.17474	1.8
385.09030	1.8
429.12302	1.8
429.21234	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	429.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68380	1.9
53.03948	12.4
53.04171	1.8
54.12101	1.7
55.01869	3.7
55.05509	12.0
57.03435	14.1
57.37236	1.9
61.02895	2.4
61.74552	1.7
67.05515	15.7
69.03426	34.1
69.07066	2.9
69.65943	14.7
71.01353	2.3
71.05003	11.2
73.02903	4.5
79.05482	14.9
81.03416	90.3
81.07058	16.8
83.04980	24.1
83.08618	20.7
85.02905	24.9
85.06528	3.3
91.05425	16.1
93.07025	11.7
95.04960	23.0
95.08610	5.6
97.02885	55.7
97.10188	3.6
99.04456	9.4
105.07029	13.8
107.04995	4.5
107.08595	7.4
109.02876	15.0
109.06495	5.6
109.10177	2.5
111.04443	9.5
111.08073	10.8
119.08607	13.7
121.10141	5.9
125.09573	2.5
127.03916	12.4
129.05513	6.9
129.07031	8.2
131.08559	10.5
133.06531	2.6
133.10138	5.6
145.10049	2.3
147.08104	2.6
147.11687	13.5
149.09645	3.6
157.10165	11.0
163.11209	2.6
165.12782	3.3
175.11160	11.8
181.12189	2.7
191.10759	3.5
192.01141	2.0
193.12248	62.6
211.13284	100.0
227.12802	6.4
229.14359	4.5
249.14980	4.8
285.17068	6.7
355.17581	3.3
411.20004	4.1
429.21371	43.2
429.31894	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	429.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	11.9
55.01870	5.1
55.05504	16.3
57.03430	12.2
58.26797	3.0
59.36961	2.8
60.81769	3.8
61.02923	3.3
65.07235	2.7
67.05498	18.5
68.67615	3.0
69.03430	33.8
69.07067	5.9
71.04990	8.6
73.02914	3.5
79.05484	13.3
81.03419	82.6
81.07056	19.6
83.04984	18.7
83.08613	20.6
85.02905	22.5
91.05386	16.7
93.07040	8.4
95.04972	20.9
95.08588	7.2
97.02885	46.0
97.06534	3.3
98.20605	5.6
99.04462	10.9
105.07011	14.6
107.04955	5.7
107.08614	4.5
109.02875	17.9
109.06537	3.3
109.10113	3.3
111.04414	9.6
111.08051	9.1
117.07023	3.0
119.08595	17.7
121.10153	4.0
122.43672	3.0
127.03905	14.7
129.05498	3.6
129.07008	8.1
131.08562	6.9
133.10138	4.4
147.11691	10.5
149.09630	5.9
157.10066	6.0
167.05585	4.7
175.11194	14.3
177.58450	2.8
181.12273	3.7
185.19492	3.1
191.10600	4.1
193.12244	63.7
195.94098	2.9
200.20082	4.2
211.13295	100.0
225.04149	3.1
227.12833	3.6
229.14296	4.4
249.14949	6.3
285.17014	8.9
355.17566	5.2
359.02585	4.0
429.21252	47.5
429.31808	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	429.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22692	0.7
59.25007	0.7
69.44888	6.7
70.06585	0.9
85.02901	1.3
90.53171	0.7
91.05756	2.6
104.22817	0.6
111.89929	0.8
147.04364	0.8
153.06664	0.7
163.03940	0.8
167.05588	1.0
179.06973	0.7
181.04942	1.5
193.04997	0.8
198.16805	0.7
199.35619	0.7
203.05334	1.9
249.14607	0.7
252.51462	0.8
321.32199	0.9
323.09024	0.8
340.45303	0.8
359.03036	1.9
429.20990	100.0
430.21521	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	429.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	13.2
55.05509	16.2
57.03439	19.0
57.82034	3.4
59.64873	3.1
61.37109	3.9
62.97522	3.9
67.05502	15.3
69.03432	36.2
69.07061	8.3
71.04985	9.8
71.58852	4.4
73.04774	4.2
76.69506	3.8
79.05508	19.8
81.03419	98.2
81.07070	18.9
83.04984	28.4
83.08611	20.4
85.02908	25.3
91.05435	19.7
92.26538	4.3
93.07056	9.3
95.04972	22.3
95.08614	10.6
97.02898	59.6
99.04466	7.6
105.07027	13.2
107.08585	11.7
109.02869	15.4
109.25426	4.0
111.04430	14.6
111.08083	10.2
119.08572	11.8
121.10114	6.8
123.11731	4.4
127.03943	10.8
129.05510	5.0
129.06998	9.2
131.08562	9.2
132.22693	3.9
133.10129	7.8
145.10066	4.1
147.11711	11.3
149.09639	7.6
155.79251	4.3
157.10112	12.1
165.12715	4.8
167.05544	5.2
175.11223	11.6
193.12253	72.0
193.13885	6.2
211.13289	100.0
212.13531	4.5
227.12752	5.0
249.14818	4.8
337.40967	4.2
355.17462	6.9
359.02985	4.7
429.21240	51.5
429.31735	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	429.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
56.45621	1.0
61.02921	1.9
63.23640	0.8
69.03422	2.2
70.06568	1.3
71.57639	1.5
71.58014	1.4
73.04742	3.1
79.19790	0.9
81.03416	1.3
84.04502	14.0
85.02897	4.3
86.09705	1.3
91.05837	10.7
93.07044	5.3
95.04919	1.1
97.02875	2.4
103.05478	2.7
113.63688	0.9
116.98606	1.3
121.06501	100.0
122.06834	2.0
123.04374	1.2
125.02417	1.0
126.50305	0.8
127.03889	2.2
128.53297	0.8
130.04994	14.3
134.99667	1.2
138.09134	32.1
147.04430	1.4
147.08389	1.0
153.01837	2.2
154.03207	1.1
154.08578	1.3
163.03938	2.5
167.05577	4.4
167.06886	0.9
177.05403	0.9
186.07715	0.9
191.03476	1.0
204.10197	2.4
220.09573	1.0
221.12825	1.6
237.02837	1.9
249.07443	0.9
249.12527	1.2
250.10730	15.2
267.08893	2.0
267.13400	42.1
303.04892	3.0
342.99585	1.3
359.02774	5.1
369.08487	1.1
429.07822	1.1
429.21149	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	429.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
63.18928	0.3
66.36308	0.4
69.03413	0.5
69.49837	2.8
70.06564	0.6
73.04749	0.5
81.03415	0.4
84.04514	0.4
84.91351	0.3
85.02876	0.7
85.07673	0.6
90.75887	0.4
91.05806	4.3
92.37112	0.3
97.02874	0.5
98.20731	0.4
102.87748	0.4
107.04928	0.5
114.08534	0.4
124.45713	0.4
127.03951	0.7
149.04520	0.5
151.07462	0.3
151.11223	0.5
153.01837	1.1
163.03960	0.4
165.09145	0.8
167.05565	1.5
167.06898	0.5
177.05518	0.4
181.04991	0.5
203.05211	2.0
226.90965	0.4
249.14545	0.4
303.05042	0.7
309.15149	0.4
359.02951	2.2
371.16763	4.0
399.20200	0.6
411.20105	1.5
429.20966	100.0
430.21390	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3159
Annotation	Tortifolisine
Peak:m/z	Relative Intensity
55.05498	1.4
62.42798	0.8
67.05501	6.4
69.07069	1.4
69.94645	4.3
78.94197	0.9
79.05489	2.9
81.07059	5.6
91.05473	3.0
93.07027	3.3
95.08620	5.0
98.20748	1.1
103.05473	6.6
105.06980	0.9
107.04964	1.4
107.08598	1.9
109.10150	2.3
120.08107	100.0
121.08478	1.6
121.10088	1.3
123.11700	1.8
126.29821	0.9
131.04906	1.7
133.10143	1.4
149.05988	1.4
166.08643	50.3
167.08955	1.7
203.99219	1.0
239.52884	0.9
245.22733	1.2
306.05856	1.0
368.41806	1.1
382.31177	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41422	0.6
53.03942	0.7
56.05037	0.8
56.96537	0.6
61.02924	0.6
65.96686	0.5
69.03423	1.0
70.06594	1.1
71.57558	0.5
71.58012	0.7
73.04729	1.1
81.03428	0.9
84.04502	13.3
85.02915	3.2
91.05859	6.3
93.07040	4.7
95.04941	0.6
97.02893	1.4
98.83597	0.6
98.98461	0.7
103.05464	1.9
107.39773	0.6
116.98639	0.9
120.08144	0.8
121.06502	100.0
122.06831	1.6
127.03936	1.0
127.43536	0.6
130.04997	9.1
134.99657	1.2
138.09137	15.6
138.10194	0.8
139.03857	0.7
147.04425	0.6
149.04440	0.7
153.01833	0.7
167.05533	3.2
221.12872	3.1
225.04179	0.9
250.10767	9.6
267.13397	32.6
268.13770	1.0
295.19217	0.5
300.14493	1.3
315.38400	0.6
342.99692	0.9
350.70374	0.6
359.02832	3.9
412.15930	2.4
429.18756	6.8
446.18835	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.7
55.01872	9.2
57.03434	18.0
57.07078	13.6
58.06591	2.1
61.02929	9.7
61.03189	1.9
64.80081	1.9
67.05496	7.7
68.99789	6.1
69.03079	2.7
69.03432	38.5
69.07075	4.4
70.06586	8.4
71.04986	9.0
71.58345	3.1
73.02907	7.5
73.04780	2.0
81.03421	28.7
82.06569	2.2
84.04492	3.5
85.02907	100.0
85.06550	17.1
86.09695	4.5
87.00832	38.4
87.04456	3.3
91.03959	3.5
91.05843	4.4
93.07034	3.0
95.04980	10.1
97.02890	41.0
99.04465	17.8
101.06019	3.9
103.07585	75.3
105.01875	46.3
105.03374	5.6
105.06996	4.8
108.36894	1.9
109.02885	31.8
111.04520	2.2
113.06032	3.1
117.01870	3.9
119.08592	2.9
120.08112	2.6
121.06414	1.9
121.10131	2.3
122.02417	3.5
123.04436	3.8
127.03919	69.4
127.07556	14.2
129.01865	2.4
131.07071	6.7
131.47485	1.8
133.10167	2.9
134.05957	2.5
139.03928	9.7
140.03427	10.4
145.04951	16.0
145.08636	7.5
146.06010	3.4
147.04465	2.4
149.02390	2.3
149.09590	3.9
157.06477	1.9
159.02908	14.3
159.08086	2.9
161.06009	3.7
163.03848	3.7
163.09653	36.8
164.10793	2.4
165.05515	2.4
173.08133	8.4
178.12138	9.7
179.03394	7.8
180.03743	4.0
180.06352	7.7
180.10239	3.9
185.05995	3.0
193.04976	4.8
193.08545	2.4
205.05011	3.1
206.15454	4.5
213.03893	3.9
229.10754	2.6
231.04704	12.2
248.20148	6.7
249.07739	3.5
253.10713	4.0
264.35144	2.2
266.21149	25.2
286.88651	2.0
296.06348	7.4
322.08020	2.0
331.13824	3.6
350.07388	5.2
359.02869	3.7
375.12885	10.7
393.13644	3.9
428.14792	2.4
428.26605	43.4
429.20956	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	428.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.4
55.01856	8.1
57.03430	15.2
57.07076	11.5
59.04981	2.5
61.02916	7.9
67.05496	4.2
67.27918	1.8
68.99777	4.3
69.03082	2.9
69.03432	37.3
69.13254	1.9
70.75461	4.2
70.75829	4.3
71.04988	6.5
73.02924	10.4
81.03423	34.8
81.45277	2.2
84.04520	2.8
85.02905	100.0
85.06532	14.3
86.09676	3.4
87.00833	38.1
87.04462	2.7
91.03959	2.1
95.04964	8.7
97.02890	29.7
99.04466	12.0
101.05979	4.2
103.06880	4.3
103.07583	87.7
105.01864	44.8
105.03376	5.6
105.07043	2.7
109.02874	33.8
113.06037	3.5
117.01844	4.4
119.08584	2.2
120.08109	2.0
121.10213	2.3
127.02958	4.1
127.03911	80.3
127.07536	16.7
131.07030	5.6
135.10367	2.0
139.03905	4.0
140.03297	3.1
140.10614	3.0
145.04951	24.8
145.08621	9.0
146.05914	2.0
147.02870	4.3
147.08096	1.8
159.02924	12.7
160.11206	3.2
163.09654	36.9
173.08110	7.6
178.12236	10.0
179.03424	2.3
180.10201	5.1
193.04985	4.6
206.15314	6.8
213.03949	2.1
231.04805	13.6
248.20142	6.5
253.10777	3.6
266.21124	24.6
331.13824	3.3
357.11813	4.3
375.12854	3.8
428.20685	4.6
428.26456	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.8
55.05514	1.1
65.03929	1.1
67.01882	0.9
67.05499	1.5
68.99783	2.2
69.03407	1.9
69.87890	6.3
70.06580	1.5
79.05044	0.9
79.05482	1.6
81.03432	1.3
83.04930	1.1
86.09724	1.6
93.03378	1.0
95.04955	1.9
97.02872	2.2
105.07018	1.3
107.04922	1.2
111.04427	5.3
121.02873	1.7
121.06486	1.7
123.04415	8.0
128.06250	1.4
137.05986	2.5
139.03896	100.0
140.04268	1.4
143.08551	2.7
145.06538	1.9
151.03885	9.2
153.05475	11.3
153.06850	1.8
157.06465	1.1
163.03882	20.4
165.05463	9.6
167.07014	5.7
169.06523	1.8
171.08038	2.3
173.06038	2.2
177.05511	1.8
181.06421	8.8
183.04454	2.8
185.06007	2.3
187.85030	1.1
189.05498	1.3
193.04980	2.1
197.05989	3.9
199.03954	2.1
199.07587	5.0
201.05455	11.4
202.06242	2.1
208.07658	1.8
209.06000	4.6
209.07961	1.0
211.03889	1.2
212.07301	1.0
213.05513	2.5
214.08589	1.5
215.07076	4.9
217.04930	3.0
217.07108	2.2
219.06567	1.4
221.05959	1.7
224.07097	4.4
225.05708	1.9
225.07843	5.3
226.06471	1.4
226.08548	5.3
227.07045	8.1
229.05000	8.2
230.05652	1.7
230.08090	2.2
231.06511	5.5
237.05594	2.5
238.08649	4.5
242.08060	3.9
243.06609	7.4
243.08749	1.6
244.09760	2.8
245.08073	3.5
246.07654	2.1
253.07449	1.7
254.05869	1.1
254.08102	6.6
255.06447	5.5
256.09851	1.1
270.07532	9.5
271.08383	3.4
272.09152	9.5
273.07510	21.2
274.07877	1.2
284.09055	2.4
290.10220	28.7
291.10257	1.1
329.08035	1.7
347.09131	4.9
364.11890	3.9
375.08591	7.3
375.68625	1.0
383.11224	2.3
392.11630	1.6
393.09592	16.0
394.09866	1.2
410.12354	47.9
411.10544	7.2
428.13354	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	427.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06744	4.7
56.96565	11.1
70.06589	4.8
71.57214	8.0
87.91894	3.9
88.99390	4.1
90.20524	3.6
90.45694	4.2
94.60855	4.0
98.97551	4.3
103.05454	10.4
110.07182	12.4
116.98599	5.1
118.38713	4.0
120.08099	100.0
123.04436	6.3
129.10185	4.1
129.86449	5.1
139.03925	10.2
153.01848	6.8
163.02647	4.9
166.08627	38.1
237.02838	9.7
247.02826	5.3
275.05505	4.8
427.14911	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	427.28
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.9
57.07072	1.1
58.06585	0.3
62.83345	0.3
67.05496	0.3
69.07066	7.5
70.65276	0.7
70.65641	0.6
73.06532	2.1
81.07036	0.4
83.04950	0.5
83.47556	0.3
84.08195	0.3
86.09702	100.0
87.10049	1.1
91.05426	0.4
93.07047	0.4
95.08604	0.6
107.08604	0.4
112.07620	0.7
121.10170	0.3
133.85826	0.3
168.13841	0.8
170.00412	0.3
186.14885	70.7
187.15187	1.4
191.87804	0.4
197.25603	0.3
203.12798	0.4
214.14374	26.4
215.14595	0.4
281.22070	0.5
293.32455	0.3
299.23318	0.3
314.19595	9.4
315.20084	0.4
327.22717	0.3
387.02008	0.3
399.28571	4.2
427.27985	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.5
55.05514	1.0
65.03922	1.2
67.05488	1.6
68.99780	2.6
69.03417	3.9
70.06571	1.3
71.57903	1.2
72.08150	4.4
83.04980	1.1
84.08122	1.3
85.02903	1.1
86.09713	1.7
91.05389	1.0
93.03391	2.5
95.04951	2.4
103.05450	1.1
107.04978	1.7
111.04438	4.7
115.05455	1.3
120.08090	7.3
123.04440	6.1
128.06163	0.9
135.04407	1.0
137.05975	2.1
139.03900	100.0
140.04251	3.5
141.05551	1.0
141.07051	0.9
143.08640	1.3
145.06416	0.8
151.03876	7.9
153.05455	9.5
153.06960	3.2
155.04889	1.6
157.06488	1.8
163.03915	18.7
165.05479	9.0
167.07100	4.6
169.06494	2.7
171.08066	2.6
173.05957	1.8
177.05530	2.1
179.03387	5.5
180.03731	3.5
180.08040	1.6
181.06505	8.2
182.09659	1.0
183.04399	2.6
184.07315	1.4
185.05989	1.6
189.05444	1.7
193.04945	2.1
197.05995	3.8
198.06700	0.9
198.09114	1.1
199.03799	1.2
199.07578	5.3
201.05458	14.8
202.06183	1.4
205.04909	1.2
208.07574	2.2
208.09564	1.0
209.05919	4.5
209.81108	0.9
210.09088	1.4
211.03928	1.7
211.07751	1.3
211.82126	0.8
212.04778	1.2
212.07039	1.6
213.05455	1.5
214.08623	1.9
215.07088	5.4
217.04944	1.9
219.06599	1.1
219.14919	1.9
221.05814	1.1
224.07065	2.8
225.00662	1.3
225.05701	1.8
225.07765	7.0
226.08519	2.3
227.06990	7.0
228.06596	1.3
229.05014	7.2
229.07153	1.4
230.05675	1.8
230.07944	1.6
231.06477	5.6
237.05406	2.7
237.07648	1.1
238.08588	4.1
239.07106	1.3
242.08125	4.0
243.01746	5.4
243.06540	4.9
243.08945	2.3
244.09682	2.1
245.08069	3.4
246.07677	1.6
247.05898	1.0
252.06487	1.3
253.07314	0.9
254.08128	8.0
255.06425	5.6
259.05807	0.9
265.07623	0.9
266.08078	1.1
267.06717	1.5
269.06879	1.1
270.07614	9.8
271.08377	2.2
272.09146	10.7
273.07578	22.6
277.08560	1.0
282.07431	1.5
284.09076	2.8
290.10251	29.8
329.07864	1.4
347.09137	2.5
357.08218	1.0
358.48090	0.9
359.02676	1.2
364.11838	3.4
365.10443	1.1
375.08643	6.9
376.08316	1.2
382.12701	1.0
383.11255	2.7
393.09650	14.0
410.12338	43.9
411.10767	7.1
428.13422	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1962
Annotation	Naucleidinal
Peak:m/z	Relative Intensity
53.03965	2.6
54.50243	1.6
55.01857	4.0
55.05510	6.8
57.21526	1.6
65.03942	2.8
67.05507	13.9
68.99760	2.2
69.03434	30.0
69.07054	5.0
71.04993	5.4
71.58387	3.2
79.05495	9.7
81.03422	6.5
81.07057	14.5
81.57526	2.1
83.04984	18.0
85.02904	5.6
85.67982	1.9
89.31980	1.9
91.05463	15.0
93.07040	20.7
95.04962	27.7
95.08592	10.6
97.02882	11.6
97.06516	6.1
99.04451	3.4
103.05470	3.1
105.07021	34.1
107.04919	4.5
107.08584	14.7
109.02887	2.3
109.06525	28.1
109.10165	8.1
111.04450	24.6
111.08088	3.9
115.05458	3.2
117.07031	8.4
119.04957	2.1
119.08582	20.9
121.02865	2.0
121.06506	19.8
121.10155	6.3
123.04449	4.5
123.08057	12.6
125.06009	3.7
125.09557	2.1
127.03934	10.7
128.06235	4.2
128.93066	1.7
129.07007	6.1
130.07840	2.4
131.04921	2.5
131.08574	12.7
133.06526	6.8
133.10120	10.6
135.04424	2.3
135.08038	9.7
137.05974	8.4
137.09590	6.5
139.03902	100.0
140.04268	3.9
141.06960	3.8
142.07779	4.8
143.08585	10.7
145.06503	4.4
145.10127	14.1
147.08035	16.3
147.11679	6.2
149.06007	3.0
149.09641	4.2
151.07523	5.1
155.08582	6.3
155.10680	11.4
156.09322	2.4
157.06445	2.6
157.10103	13.2
158.07251	5.3
159.08083	12.3
159.11687	11.8
161.05998	3.0
161.09605	26.1
163.03931	4.5
163.07523	4.8
163.11145	5.3
165.09123	2.3
167.07066	4.8
169.06459	2.3
169.10098	2.6
171.08026	5.2
171.11670	5.7
172.08752	4.7
173.05991	3.5
173.09659	11.0
173.13281	7.8
175.07542	4.6
175.11200	14.6
181.06441	3.3
183.11700	5.2
185.06047	2.4
185.09605	7.7
185.13165	3.0
187.07521	4.2
187.11194	12.3
189.05446	3.6
189.09094	13.4
189.12787	2.8
193.08560	3.4
193.10139	3.1
197.05959	4.2
198.06654	2.4
199.11221	8.3
201.05498	3.5
201.12691	13.0
203.10649	25.1
205.12256	5.9
207.10214	5.9
211.11200	8.0
213.05618	2.7
213.09093	3.0
215.07079	2.9
217.05005	5.0
217.12222	12.7
219.13834	6.9
229.04976	3.2
229.12267	14.8
235.13361	5.2
245.11693	2.4
247.13309	58.6
255.06532	4.2
259.06049	5.7
265.14307	16.8
271.06000	3.5
289.07004	3.9
333.13315	11.6
376.96280	2.1
391.17517	4.6
409.18518	6.4
427.10239	10.5
427.18140	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	427.1963
Annotation	Naucleidinal
Peak:m/z	Relative Intensity
52.69962	2.4
53.03933	5.0
55.01868	6.8
55.05516	11.1
57.03436	2.4
61.02919	2.6
65.03940	5.7
67.05503	25.5
69.03430	65.3
69.07073	6.9
69.16323	2.3
71.04408	2.3
71.04697	3.0
71.05006	4.7
79.05494	17.1
81.03429	10.6
81.07062	22.5
83.04979	26.9
85.02902	12.6
91.05486	26.7
93.07032	35.2
95.04968	55.5
95.08596	15.4
97.02894	20.5
97.06542	9.2
99.04450	5.3
103.05436	2.3
105.07027	59.9
107.04948	7.6
107.08594	22.8
109.02866	4.3
109.06519	58.0
109.10149	12.2
111.04443	29.2
111.08076	5.6
113.06035	4.2
115.05478	6.7
117.07014	11.9
119.04901	2.5
119.08577	45.1
121.02866	8.2
121.06499	32.5
121.10149	11.0
123.04446	6.2
123.08074	16.1
125.05970	4.8
127.03931	18.8
128.06235	7.5
129.06993	9.8
130.07767	2.1
131.04967	2.8
131.08568	23.1
133.06493	13.7
133.10114	20.0
135.04453	4.9
135.08047	15.6
137.05968	8.0
137.09596	7.6
139.03928	11.5
139.07539	4.5
141.05443	3.7
141.07034	5.0
142.07764	9.0
143.08591	14.3
145.06487	12.0
145.10139	22.9
146.07298	6.4
147.08055	30.8
147.11710	9.6
148.08803	3.7
149.05992	3.3
149.09604	5.1
149.49174	2.1
151.07518	6.4
153.01884	2.4
155.08533	5.9
155.10692	6.8
156.09280	7.3
157.10138	24.5
158.07248	7.2
159.08078	20.6
159.11681	27.4
160.08777	4.9
160.12122	2.2
161.05978	5.3
161.09622	43.9
163.03928	2.9
163.07520	4.6
163.11209	4.9
165.09109	6.8
167.07021	6.3
167.19319	2.2
171.08070	5.4
171.11668	6.0
172.08813	7.5
173.06010	3.0
173.09607	17.2
173.13214	11.1
174.06757	6.8
175.07596	12.5
175.11160	27.4
177.09105	4.3
177.12714	4.1
181.06482	2.9
181.10217	3.3
183.11687	9.2
185.09618	8.8
185.13223	4.3
187.07536	5.1
187.11194	18.1
189.05490	3.1
189.09084	29.1
189.12753	4.9
191.07025	5.7
191.10733	3.8
193.08627	2.7
193.10170	2.9
195.11873	2.7
196.08878	3.0
197.09627	4.2
199.07475	3.1
199.11180	11.8
201.09038	3.8
201.12759	17.5
203.10675	54.4
203.14235	2.4
205.12154	17.1
207.10202	6.1
211.11185	14.0
215.10593	3.1
217.12286	15.8
219.13722	11.5
227.10672	2.7
229.12254	23.7
235.13327	6.2
245.11716	3.2
247.13287	100.0
265.14371	22.5
271.53732	2.4
273.11295	4.9
287.12784	3.0
321.11221	4.1
333.13293	24.8
333.16870	3.5
345.17130	2.6
352.13074	2.4
373.16275	2.9
391.17572	4.4
409.18555	14.1
427.19269	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.196
Annotation	Naucleidinal
Peak:m/z	Relative Intensity
53.03944	10.0
53.50150	3.6
54.36755	3.2
55.01849	6.0
55.05504	22.0
57.03435	4.7
57.07067	3.4
58.38065	3.4
65.03928	6.6
67.05500	25.5
67.32676	3.6
69.03426	64.6
69.07059	8.7
70.06586	4.6
70.72703	12.2
71.04993	6.2
71.12935	3.5
79.05499	19.1
81.03408	12.9
81.07043	25.5
83.04967	35.8
83.08605	5.7
85.02917	18.3
86.09724	4.7
91.05483	28.5
93.07047	36.9
95.04976	58.5
95.08586	17.3
97.02892	22.7
97.06540	9.6
99.04440	5.9
100.11241	8.6
103.05482	5.7
105.07017	62.3
107.04958	20.9
107.08576	29.1
109.02876	11.5
109.06512	64.0
109.10157	13.5
111.04444	39.8
111.08096	9.8
113.05932	4.6
115.05437	5.2
117.07012	15.5
119.04962	6.1
119.08572	47.8
120.08105	45.5
120.08904	6.1
121.02898	4.7
121.06506	39.7
121.10150	15.6
123.04401	14.3
123.08064	16.3
127.03914	22.1
128.06204	4.6
128.39804	3.7
129.05441	5.2
129.06961	8.8
131.08539	24.1
133.06522	13.7
133.10085	21.8
135.04402	4.2
135.08060	21.9
135.11650	5.7
137.05930	13.9
137.09639	6.4
139.03976	9.2
139.07561	5.9
141.05522	4.6
141.06934	6.6
142.07762	11.5
143.08580	18.5
145.06459	10.9
145.10114	30.8
146.07314	3.9
147.08061	36.4
147.11679	15.1
148.08859	6.7
149.02370	5.1
149.05962	4.8
149.09622	7.0
151.07526	9.4
153.01849	6.3
154.62381	3.8
155.08597	5.1
155.10672	9.3
156.09312	5.2
156.13817	17.5
156.78011	4.0
157.10161	33.4
158.07263	6.7
159.08073	22.4
159.11691	25.5
161.05956	8.9
161.09618	53.4
163.07570	12.2
163.11191	10.3
165.09158	7.2
169.10106	4.5
171.08069	8.2
171.11696	9.3
172.08879	5.0
173.09642	20.1
173.13264	15.0
175.07512	11.2
175.11150	38.6
179.10902	3.8
182.15361	9.5
183.11688	9.8
184.13297	10.3
185.09642	12.6
185.13272	8.4
187.11229	27.6
189.09100	21.3
189.12749	6.2
193.08609	5.0
196.08879	4.3
199.11205	9.7
201.12729	22.2
203.10666	51.8
205.12257	10.1
207.10127	6.8
210.14963	11.4
211.11235	21.3
213.12500	3.8
216.51025	3.7
217.12280	15.5
219.13820	14.4
229.12228	28.8
235.10829	6.7
235.13159	7.6
244.20351	4.6
247.13272	100.0
248.13629	6.2
251.39851	3.8
257.11612	5.3
265.14316	17.1
273.11172	9.5
333.13226	25.7
354.99594	4.3
383.16544	4.2
409.18631	10.5
410.30032	4.3
427.19186	17.3
427.33038	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	427.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70763	0.2
53.60219	0.2
55.01869	0.4
57.47921	0.2
60.29469	0.2
69.03413	0.4
69.72974	1.5
70.06579	0.2
73.65182	0.2
80.08215	0.2
81.03376	0.4
85.02894	0.4
89.23396	0.3
94.04057	1.6
98.20804	0.3
107.04944	0.3
112.05093	0.4
121.02853	0.2
123.04459	1.8
123.06670	0.9
123.28412	0.2
127.03925	0.4
135.04434	0.3
135.05424	0.3
136.89453	0.2
137.06052	0.3
139.03899	1.9
147.04419	0.3
150.07750	100.0
151.08153	0.6
163.03906	0.6
165.05518	0.3
167.03427	0.4
176.05721	0.3
179.03401	4.7
191.03406	0.3
229.05087	0.3
244.09735	0.3
245.04417	0.3
247.06192	0.5
255.06573	0.3
257.04486	0.4
259.05847	0.3
275.05557	0.8
282.11945	0.8
287.05634	1.3
295.11493	15.7
296.11606	0.5
376.03082	0.2
409.09174	0.5
409.15002	0.3
427.19543	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
61.37376	0.6
69.03419	1.4
70.41847	0.6
70.42570	2.7
74.41125	0.6
81.07038	0.7
91.48706	0.7
95.04967	1.4
97.02912	0.6
105.07006	1.2
119.01904	1.4
119.08414	0.6
123.04481	0.7
130.07796	0.8
139.03951	1.4
143.01900	1.3
143.03178	0.7
161.02994	2.0
161.09633	0.8
163.11252	0.8
177.00934	0.7
177.02422	0.7
185.04213	3.9
203.05272	7.9
241.09291	0.8
245.04890	1.2
247.13289	1.0
265.10516	17.8
275.05508	0.8
281.12271	1.6
283.10315	1.6
307.10269	3.2
325.11237	1.5
365.95215	0.8
367.12646	1.3
427.15762	100.0
428.16043	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	0.5
56.96532	1.0
67.05476	0.3
68.99772	1.4
69.03414	0.9
69.94819	1.8
69.95207	0.7
70.06558	1.6
79.05474	0.6
81.03382	0.8
81.07034	1.0
85.02876	1.4
91.05466	1.0
93.07005	0.7
95.04953	0.8
95.08622	0.4
97.02876	1.2
98.21498	0.5
98.97557	0.9
105.06995	0.5
107.04950	0.8
109.02859	0.8
111.04417	0.7
116.98573	1.0
117.07022	0.4
119.04926	0.5
119.08504	0.5
120.08081	0.5
123.04436	2.6
127.03907	1.6
128.98576	0.4
131.04913	1.0
134.99663	0.7
137.05946	0.8
139.03894	0.8
144.06572	0.7
145.02896	0.6
145.06633	0.7
146.99620	0.8
147.04381	0.5
149.02345	1.3
149.05954	1.7
149.54628	0.4
155.03339	0.6
163.03865	0.9
177.00806	0.5
177.05524	0.9
179.03386	100.0
180.03763	2.0
183.02846	0.7
191.07062	1.4
203.12842	0.6
209.08246	0.4
210.18321	0.5
219.01755	0.7
237.02817	2.3
265.07095	0.5
367.10663	3.0
427.19424	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	427.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40062	0.3
53.03938	1.2
55.01855	1.2
57.03428	0.7
61.02898	0.5
65.03929	0.3
67.05494	0.7
68.99782	0.6
69.03428	3.7
70.06578	1.1
71.04988	0.8
71.64911	0.3
73.02916	0.9
79.05473	0.3
81.03411	4.5
81.07039	0.4
84.04524	0.5
85.02901	7.0
86.09700	0.5
87.00822	2.9
88.03978	0.7
89.03893	0.4
91.05460	1.0
91.96096	0.3
93.07036	0.5
95.04999	0.4
97.02888	2.1
98.97603	0.4
99.04450	1.8
103.03959	0.3
105.01872	2.4
105.03373	1.0
105.07018	0.4
107.04943	0.5
107.08575	0.4
109.02882	4.7
113.22790	0.3
117.01852	0.7
117.03396	0.5
119.04953	0.4
119.08558	0.7
120.08085	0.7
121.02863	0.3
123.04424	12.9
127.03911	6.9
129.01793	0.4
131.08560	0.3
133.02850	9.8
135.04440	1.8
136.06192	0.4
136.16982	0.3
137.05931	0.4
139.03868	0.7
145.04956	1.6
147.02890	0.6
147.04393	1.5
148.04755	0.7
149.06108	0.3
151.03926	4.3
159.02902	1.6
161.05989	0.4
163.03954	0.9
163.08554	0.4
163.11160	0.5
164.10703	2.8
177.05444	0.4
179.03391	100.0
180.03741	1.5
181.12149	0.3
184.96550	0.3
197.05991	0.4
203.03407	0.4
203.12839	0.4
207.07657	2.7
216.10204	0.4
221.04356	0.4
229.05046	0.3
229.50357	0.4
231.04997	0.9
244.09798	0.6
247.16966	0.4
257.04449	0.4
259.05841	0.4
269.06726	0.3
286.10666	0.6
295.05951	0.9
304.11865	1.1
323.12411	0.7
331.12891	1.3
349.07147	0.5
427.14099	0.7
427.19138	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05531	1.0
57.07078	19.8
57.43420	1.1
60.17161	1.0
63.09333	1.3
69.07056	3.9
69.49451	3.3
69.49872	7.4
71.08235	1.8
71.08630	37.1
73.06554	7.7
75.61323	1.1
80.53876	1.2
81.07045	1.2
81.47297	1.2
83.08617	2.2
85.10183	18.9
87.04473	2.9
89.06030	100.0
107.07078	4.4
116.89883	1.0
117.09135	1.5
127.14814	3.8
130.08644	3.6
133.08594	43.2
144.78481	1.3
171.17453	3.9
177.11214	12.3
183.34450	1.3
195.12291	2.5
215.20114	10.3
239.14879	1.4
259.22638	3.8
283.17508	10.1
409.31558	10.3
425.84366	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20887	1.9
55.05478	2.2
56.96561	20.6
61.63993	1.7
69.03424	3.4
69.49587	12.3
69.49998	4.0
69.72935	1.9
70.03415	1.8
70.06586	6.7
72.08166	2.9
73.60991	2.4
78.34620	1.9
81.03391	1.9
82.05804	2.0
84.08131	3.3
84.96043	10.4
85.02898	3.8
95.04975	2.4
97.02877	3.1
98.97585	44.7
102.97063	2.2
109.02875	2.4
110.07186	3.5
110.97565	11.2
112.99216	2.9
116.98619	48.6
119.01851	2.2
123.04453	6.6
127.03905	2.3
128.98608	26.9
131.00162	3.4
134.99666	37.2
137.02304	4.2
139.03899	14.4
143.00174	6.5
146.99643	28.7
149.01135	4.9
150.07758	13.6
153.00694	6.9
153.01846	4.4
158.99677	8.4
161.01222	15.8
162.99086	2.5
163.03876	2.4
165.00755	6.2
167.03491	2.3
170.99623	4.1
173.01245	3.7
177.00740	14.5
179.02180	3.0
179.04649	3.2
181.98795	4.1
185.01198	4.0
189.00710	7.1
199.99928	13.2
201.00731	9.0
203.02203	5.5
203.10609	2.3
203.12782	2.6
207.07729	4.4
213.00815	3.0
215.02132	3.3
218.01004	7.5
219.01752	37.6
229.00105	2.4
231.01738	2.4
233.18140	2.2
237.02826	100.0
242.03299	4.2
243.01918	2.3
245.04584	2.7
247.06125	3.2
247.13387	2.4
255.03946	8.4
256.02405	2.9
257.03244	5.7
259.06192	2.4
260.04346	5.2
261.02866	6.8
275.05554	2.2
278.00934	5.5
279.03979	3.3
287.05530	6.6
323.04523	4.1
326.02954	2.9
341.05396	16.9
341.13400	2.6
359.06448	65.3
360.07007	2.7
377.08173	2.6
382.08121	7.2
383.07324	2.7
401.07431	9.5
409.09146	2.4
427.06506	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	426.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	2.1
57.03438	1.8
58.08698	1.6
61.27663	1.4
67.05498	3.3
67.85094	1.6
69.03424	2.0
69.07057	7.5
70.71833	3.2
70.72183	3.1
79.05490	15.1
81.07051	2.7
83.04977	2.7
91.05478	2.3
95.04979	4.8
97.05917	2.6
97.06537	53.5
103.05438	3.2
105.07037	3.1
109.25688	1.5
115.05457	3.2
117.07045	3.6
122.79121	1.6
123.04430	29.6
129.06996	3.7
131.04922	10.8
132.05727	3.3
136.52606	1.7
136.58073	1.5
143.30518	1.6
145.06538	7.6
147.04367	7.7
149.05980	10.4
155.08623	2.0
157.06438	1.9
159.04404	2.4
159.08162	1.7
160.05190	3.9
161.05968	4.6
163.07507	3.1
170.07286	1.9
171.04434	2.0
171.08041	2.3
173.05981	3.1
185.06055	2.9
186.06639	2.3
188.08319	5.5
191.06976	2.1
199.07489	2.0
199.11203	3.4
201.09108	100.0
202.09747	5.9
215.10793	2.4
219.06618	3.9
219.10162	9.6
225.09157	2.5
227.10677	54.7
227.12968	2.9
241.12125	1.7
243.10118	2.8
245.08121	14.3
245.11748	15.3
259.13394	3.9
261.11255	1.8
269.11731	15.4
287.12793	81.3
288.13007	2.8
302.49203	1.8
305.13538	2.6
334.72543	1.6
391.13812	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	426.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.8
55.69605	1.5
57.03428	3.8
57.07072	17.8
62.06088	19.3
67.05499	5.4
69.07053	5.2
70.55090	1.5
71.08627	11.4
71.58926	2.1
71.59322	1.9
76.47075	1.6
81.07057	6.4
83.08596	2.0
85.10175	7.9
95.08602	9.2
98.98445	4.0
109.10157	3.8
111.44178	1.8
125.65320	1.6
136.61540	1.7
143.69153	1.6
155.01003	5.5
211.20627	2.3
216.06384	2.3
254.24773	11.5
262.97943	1.7
273.28751	1.8
281.45883	2.1
285.24231	100.0
286.24649	4.2
321.00665	2.1
365.20782	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	426.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.5
56.24176	1.4
65.03970	1.6
67.05487	2.5
68.05862	1.5
68.23800	1.3
69.07045	2.3
69.92032	8.4
69.92329	2.1
74.58464	1.4
79.05471	1.8
83.04942	1.6
91.05496	1.9
93.07043	1.7
95.04971	2.1
96.04472	2.4
97.06544	4.6
98.20842	2.8
114.05506	3.6
117.07011	1.5
122.61103	1.4
128.06207	1.8
129.07043	2.4
133.06548	1.9
135.04454	1.8
137.05952	1.6
141.07001	1.8
143.08572	5.1
143.38841	1.2
145.06488	5.6
149.05963	2.7
151.03891	1.7
153.05516	2.6
153.07007	3.0
155.08604	4.4
157.06522	4.6
161.06018	3.8
163.07567	2.7
165.05486	4.6
165.06885	2.1
167.03416	8.3
167.08559	2.8
171.08093	4.3
173.05994	8.1
173.09705	2.7
175.03960	3.0
175.07547	6.2
177.05537	3.1
181.06485	2.6
183.08041	2.1
185.05978	5.3
187.07500	1.7
189.05473	2.2
189.09058	2.7
193.04921	1.7
193.89156	1.6
195.08203	1.7
197.06068	1.7
197.09689	1.8
199.07608	6.2
199.11224	6.2
201.09082	27.0
203.07031	17.2
205.10178	1.6
209.09602	1.7
211.07706	1.5
214.09895	1.4
215.06985	2.5
217.05042	4.0
217.08513	6.9
217.12213	3.6
218.09264	1.7
219.10185	16.0
223.11227	4.6
225.09085	2.9
227.10651	26.5
241.12231	8.3
245.08070	6.2
245.11739	16.4
251.10641	3.8
259.13315	7.5
264.70691	1.6
269.11673	22.3
287.12787	100.0
288.13144	2.2
303.13406	4.0
305.13870	3.0
361.02069	1.7
391.13831	4.8
426.21924	1.9
426.28253	3.9
446.82208	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.3
54.09308	1.6
55.01858	8.9
55.05515	22.4
57.03429	5.2
57.07068	7.5
65.03938	2.9
67.05505	100.0
69.03431	17.1
69.07063	23.7
70.79443	4.7
70.79812	1.7
71.01330	2.3
71.05005	8.2
71.08628	4.3
73.02905	5.4
79.05492	28.5
81.03419	25.3
81.07057	92.4
82.07359	2.2
83.04984	5.6
83.08611	15.9
85.02896	5.0
91.05479	21.4
91.52255	1.5
93.07042	37.0
94.19329	1.6
95.04984	4.0
95.08607	65.5
97.02894	69.7
97.03524	3.8
97.06512	5.3
97.07152	1.8
97.10140	8.3
97.32965	1.5
98.58827	1.5
99.04449	30.4
99.08078	3.9
105.07020	13.7
107.08590	17.8
109.02876	17.0
109.10162	31.9
111.04432	1.8
111.08099	4.0
113.09672	2.0
117.06996	4.5
119.08592	12.8
120.08115	3.8
121.06506	1.8
121.10142	14.6
123.11721	16.1
125.09621	2.5
127.03918	37.5
127.69920	2.0
129.05515	2.0
129.07002	2.2
131.08548	6.7
133.10132	14.9
135.11696	9.7
137.13268	7.1
145.04941	3.9
145.06555	1.8
145.10143	3.5
145.83391	1.6
147.11717	8.6
149.13260	8.6
157.10181	1.8
159.11652	2.7
161.13264	6.9
163.14816	7.5
165.16391	2.7
171.08014	1.9
173.13272	3.5
175.14882	7.4
177.16431	2.2
189.16380	2.3
243.21037	2.2
245.22652	7.7
256.33142	1.6
261.22125	4.3
263.23715	38.9
267.88409	1.7
275.23706	1.8
331.26346	6.2
341.24789	5.3
359.25784	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	425.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18080	0.6
53.03951	0.7
55.01846	0.5
55.05521	0.6
55.21303	0.5
57.03432	0.6
61.07882	0.5
67.05496	2.3
69.07059	1.1
71.59512	0.7
78.35011	0.5
79.05498	2.5
81.03401	0.7
81.07069	1.1
83.04974	0.7
85.02905	0.7
89.42292	0.6
91.05496	1.6
93.07076	1.0
95.04955	0.6
95.08611	1.3
97.02894	0.7
97.06530	18.4
99.49094	0.5
105.07037	1.2
107.08597	1.1
109.10156	0.7
116.63211	0.5
117.06997	0.6
119.08573	1.7
121.06549	0.7
121.10160	0.9
123.04434	3.3
131.04968	0.7
131.08575	0.6
145.06445	1.2
145.10141	1.4
147.04436	0.8
147.11722	0.8
149.05945	3.3
161.06017	1.1
163.07478	0.8
165.09193	1.1
173.09602	0.7
191.07050	1.0
201.05566	0.6
201.09013	2.8
203.03520	0.8
203.05255	24.7
215.10727	0.6
219.06599	0.9
219.10118	4.5
243.10326	0.9
245.11737	7.8
250.89163	0.6
257.04553	2.4
259.13257	1.2
261.11426	0.9
287.05789	0.6
287.12796	13.3
305.13950	1.5
425.25131	100.0
426.20450	1.0
426.25348	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
55.05502	0.6
56.96546	0.3
57.03420	0.4
67.05510	1.0
69.07050	0.9
77.03966	0.3
79.05490	1.8
81.03398	0.3
81.07046	1.3
83.04938	0.4
84.82133	0.4
91.05474	0.8
93.07043	1.2
95.04959	0.6
95.08598	0.7
97.06529	16.3
105.07041	0.8
107.08607	0.9
109.06512	0.3
109.10134	0.6
112.72675	0.3
117.07018	0.5
119.08578	0.6
119.63190	0.3
121.10155	0.4
121.11039	0.3
123.04436	2.7
123.08068	0.3
123.11760	0.5
131.04938	0.8
131.08572	0.3
133.06551	0.3
133.10074	0.3
143.04817	0.3
145.06458	0.9
145.10088	0.4
147.04405	0.7
147.08037	0.3
149.06003	2.2
157.10165	0.4
159.08118	0.3
161.05943	0.7
161.09792	0.3
163.07591	0.7
165.09120	0.9
169.10095	0.3
189.05482	0.4
190.88829	0.3
191.07063	1.0
201.09126	2.4
203.05267	30.4
215.10768	0.6
218.39252	0.3
218.54872	0.3
219.06696	0.6
219.10139	3.9
243.10237	0.8
244.07817	0.6
245.11734	5.5
251.28514	0.3
257.04501	1.3
259.13345	0.8
261.11273	1.2
287.05676	0.5
287.12793	9.3
287.65500	0.3
299.05832	0.3
305.13855	0.9
320.48752	0.3
333.57309	0.3
420.66251	0.3
425.25113	100.0
426.20422	0.5
426.25452	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	425.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
61.20351	2.2
65.88933	2.1
67.05493	2.9
69.07057	3.3
69.85204	14.6
70.36039	2.5
81.07053	6.4
119.01914	6.0
157.03516	2.8
161.02934	4.3
171.73869	2.5
175.04491	2.7
184.46259	2.8
187.00859	3.4
203.05359	4.6
243.04720	13.1
245.06252	10.3
277.25256	2.7
287.03726	74.1
289.05292	100.0
381.18665	4.9
425.17755	51.2
425.24768	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	425.178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70314	1.0
61.47125	0.9
67.05507	1.2
69.03387	0.9
70.06587	1.3
70.15837	4.0
70.16254	1.6
81.07062	7.9
93.07052	2.0
95.08630	1.7
101.00889	1.9
119.01899	10.7
126.31414	1.0
137.02942	2.2
143.01863	4.8
157.03465	4.0
161.02960	11.0
175.04489	4.0
177.05544	1.2
187.00903	6.3
203.03860	2.5
203.05473	1.7
227.05177	2.7
229.01901	3.3
245.06326	13.4
247.02942	2.3
271.04260	2.3
289.05283	100.0
290.05676	1.3
297.94348	1.5
381.18488	6.6
410.41940	1.0
425.17828	76.6
425.24875	8.0
426.18167	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21565	0.9
56.96556	1.8
57.36735	1.0
62.06083	17.0
65.96516	1.3
69.03436	1.7
70.02942	2.0
70.84287	3.7
72.04511	3.2
73.02890	1.4
76.01492	1.0
81.03407	1.9
85.02900	5.0
85.06535	1.5
86.06065	35.9
90.05544	3.4
95.04960	2.0
97.02888	2.0
98.06067	6.8
98.97559	1.2
99.70979	1.0
104.07085	2.1
113.06042	2.4
115.08691	71.7
116.07093	20.4
116.98622	1.1
124.07646	1.5
125.07121	3.9
127.03905	1.1
130.08678	1.1
133.09726	100.0
134.99683	1.7
142.08624	4.3
143.08174	3.6
153.01778	1.1
161.01117	1.0
165.67050	1.0
184.09715	2.1
227.13931	6.7
232.11179	1.2
239.03979	1.2
245.14972	38.1
261.02496	1.2
263.16006	1.5
328.70956	1.0
351.47705	1.1
365.06839	2.1
407.12836	1.1
426.13791	1.4
439.31580	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00320	0.6
53.03944	7.1
55.01872	1.7
55.05510	13.7
57.03430	5.0
57.07072	4.2
59.49384	0.4
59.63605	0.4
61.02929	1.4
67.05510	2.7
68.99786	4.6
69.03428	14.9
69.07066	57.2
70.07367	0.6
71.01359	0.5
71.04993	7.9
71.58079	0.4
71.58489	0.5
72.08125	0.4
73.02912	1.0
73.29502	0.4
78.53634	0.3
79.05488	2.0
79.51231	0.3
81.03416	48.5
81.07055	6.1
83.01337	0.5
83.04986	2.6
83.08615	2.7
85.02902	37.1
87.00816	1.4
91.05475	1.0
93.07043	3.7
95.04958	0.7
95.08613	6.2
97.02888	7.6
97.06512	2.2
97.10166	7.2
99.04452	18.5
105.07014	1.2
107.08593	3.3
109.02877	42.9
109.10154	1.4
111.08084	3.1
111.11717	9.5
119.08595	0.7
120.08108	0.6
121.10125	5.4
123.04465	0.4
123.08031	0.5
123.11729	0.5
125.09619	3.3
127.03913	100.0
128.04254	1.6
129.01788	0.7
131.08525	0.5
135.11716	2.2
137.13234	1.1
139.11188	9.1
140.11472	0.6
145.02890	0.8
145.04953	4.5
153.01810	0.7
167.63866	0.4
171.49727	0.4
177.05405	1.1
177.16431	2.9
195.15907	0.2
195.17441	7.4
213.03935	21.2
231.04893	0.5
273.03931	0.5
413.18509	0.4
425.25470	0.5
443.22925	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1413
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
50.30779	0.8
56.96563	1.2
67.40131	1.0
68.99798	0.9
70.06569	1.5
71.58255	1.6
76.34631	0.9
85.02919	1.5
86.99983	0.9
91.05476	4.4
98.97569	1.1
100.30437	0.9
123.04417	1.2
131.05032	0.9
145.02779	1.0
147.04384	1.5
149.05965	1.0
173.02945	1.4
177.05464	2.2
189.09114	1.2
190.15871	1.0
194.29785	1.0
196.23561	0.9
211.44524	0.8
237.02736	1.5
311.09744	2.2
349.21506	0.8
407.12827	0.9
425.14148	100.0
426.14258	6.3
436.06808	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
60.35526	0.6
77.00893	0.6
82.99849	1.2
94.92995	1.0
94.99895	0.8
96.92803	0.8
98.20782	1.7
101.00877	7.7
106.41534	0.6
113.00913	1.3
119.01919	23.7
120.01960	0.7
127.02360	0.9
131.01909	7.4
133.03455	0.9
137.02940	3.0
140.87227	0.6
142.03494	0.8
143.01889	20.7
143.03041	1.1
145.03471	7.6
147.01360	1.1
149.02982	1.0
155.01877	9.2
157.03468	5.9
161.02953	48.9
162.03064	2.1
163.04503	1.3
167.01855	4.2
169.03435	1.1
171.05011	1.5
173.02963	19.9
174.03067	0.8
175.04503	1.6
179.01866	1.5
179.04068	0.8
181.03398	0.9
184.04581	1.2
185.02948	29.6
186.03087	1.6
187.04533	2.9
191.04005	5.4
192.94090	0.7
197.02946	11.9
203.03989	14.4
209.02840	1.1
215.03954	6.6
221.05049	1.9
227.04010	4.8
233.04942	0.8
239.04013	0.8
245.05067	100.0
246.05217	4.0
248.89674	0.8
257.05057	4.7
263.06119	27.6
264.06256	1.1
275.06100	11.6
276.06155	0.7
286.07635	0.9
293.07175	4.8
305.07205	6.6
307.37918	0.8
335.08188	2.1
339.96609	0.7
365.09241	2.3
368.28622	0.7
377.89380	0.7
412.71277	0.8
425.11218	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18506	0.7
67.64395	0.7
69.78217	4.1
82.99844	1.4
85.02930	1.1
97.02894	1.7
98.20789	0.7
101.00876	10.3
101.61488	0.7
109.02874	1.0
113.00861	2.0
119.01917	32.4
120.02015	1.3
131.01907	11.3
133.03436	0.8
137.02991	3.8
143.01888	21.6
143.03107	1.1
145.03448	9.8
145.27103	0.7
147.01317	0.8
149.02919	1.1
153.01817	4.2
155.01883	11.3
157.03468	7.1
161.02950	60.1
161.37526	0.7
161.72478	0.8
162.03081	2.6
163.04515	1.5
167.01830	6.1
169.03464	3.6
171.04971	1.5
173.02951	21.2
174.03102	0.9
175.04472	2.3
179.01917	2.4
179.03989	1.2
184.04536	1.3
185.02956	35.9
186.03281	1.4
187.04512	4.2
191.04004	5.3
197.02940	13.8
198.03038	1.3
199.04558	1.1
203.03998	18.0
204.04144	1.1
209.03012	1.4
215.03979	8.8
221.05179	1.8
227.03979	8.6
233.05051	1.3
239.03928	1.0
245.05060	100.0
246.05258	3.9
257.05008	4.2
263.06122	29.4
264.06357	1.0
275.06104	10.6
293.07086	4.0
305.07135	6.5
335.08221	1.3
365.09207	3.3
425.11459	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.3
51.02368	0.9
53.03946	0.2
55.01863	0.5
55.05501	0.4
60.15653	0.2
64.53166	0.2
67.05483	0.6
68.99763	0.7
69.03418	0.9
71.03311	0.3
71.03635	0.3
77.03918	0.3
79.01849	5.9
79.05468	0.5
81.03419	0.5
81.07037	0.9
83.04967	0.4
83.08595	0.3
85.02885	0.7
87.00816	0.4
90.93661	0.2
91.05468	0.9
93.07049	0.8
95.04967	0.5
95.08588	1.2
97.02880	1.6
105.03380	0.3
105.07004	0.9
107.01314	1.2
107.04991	0.3
107.08566	1.0
109.02899	0.5
109.10134	0.4
111.00790	0.7
114.35599	0.2
117.07060	0.3
119.08575	0.7
121.06490	0.3
121.10130	1.2
123.04420	21.6
123.11678	0.5
124.04770	0.5
125.02345	4.0
127.03903	0.7
128.06241	0.2
131.08586	0.5
133.10118	0.5
135.04395	0.8
135.08035	0.3
135.11713	0.3
137.06032	0.2
137.09599	0.3
139.03896	0.7
143.03381	7.8
144.03682	0.2
145.10115	0.4
147.04414	2.1
147.11687	0.5
151.03915	0.6
153.01819	100.0
153.02802	3.8
154.02127	1.7
154.03218	0.3
159.11641	0.3
161.05957	0.3
161.09564	0.2
163.03889	2.9
163.07523	0.6
173.13228	0.4
175.14861	0.9
177.05424	0.3
177.16418	0.5
187.14777	0.2
189.05533	0.6
201.44545	0.2
207.06509	0.2
219.07079	0.2
227.07082	0.3
255.06561	0.9
263.12750	1.6
273.07556	12.6
274.07840	0.5
402.37991	0.2
407.20410	0.2
419.28955	0.2
425.08646	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0482
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	13.9
58.49061	3.3
70.83106	3.3
70.83440	8.1
73.97141	2.6
77.10833	2.8
81.48499	3.5
84.96037	3.3
85.49626	2.9
90.40850	3.2
92.36418	3.0
94.21780	2.9
95.14471	2.7
97.02914	3.5
98.21074	5.3
98.58710	3.2
98.97569	11.6
100.07585	3.5
101.00862	5.5
115.02462	4.2
116.98610	11.4
119.01924	42.5
128.98589	4.5
131.01901	10.3
133.03427	8.5
134.99638	5.3
137.02939	7.9
143.01901	23.2
145.03406	10.2
151.04523	4.1
155.01938	15.6
157.03455	8.2
158.99727	3.4
159.05013	4.8
161.01135	3.8
161.01414	4.2
161.02960	65.4
167.01791	3.6
171.05029	5.4
173.02992	28.4
175.04515	8.2
177.05481	4.1
185.02946	33.9
187.04398	6.8
191.02414	3.2
191.04010	7.3
197.02965	16.5
203.04028	23.1
205.03650	3.1
215.04018	9.7
219.07063	9.8
221.05032	8.0
227.04050	5.7
231.07082	8.2
237.02814	7.3
245.05058	100.0
257.05148	5.2
263.06192	27.8
269.03284	5.0
275.05887	8.7
287.04297	11.0
293.07205	4.0
293.19696	3.1
305.07132	8.8
321.10303	44.6
365.07468	3.0
425.05896	6.0
425.10742	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	425.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	95.1
60.04502	4.5
67.22541	5.1
69.07047	4.5
71.57900	4.5
71.58333	5.4
84.96037	22.0
85.02892	7.9
97.02852	5.8
98.97584	75.0
105.07010	4.9
110.07227	4.3
110.97549	9.2
115.08682	5.1
116.98617	92.4
117.03416	5.9
119.04960	5.0
123.04398	6.6
128.98593	31.3
131.00139	4.7
134.99661	69.3
135.59009	4.2
139.03894	13.8
140.98563	5.0
143.00104	6.9
145.02840	5.2
146.99644	52.6
147.04405	11.4
149.01213	11.2
150.18410	4.1
152.98576	4.8
153.00667	8.2
153.01788	15.6
158.01201	4.9
158.99646	16.7
161.01218	41.2
162.99149	9.7
163.03786	5.4
165.00710	7.1
177.00693	24.9
177.05438	15.2
179.02217	13.0
189.00661	5.0
193.01707	5.0
201.00665	7.6
203.03352	5.9
203.41498	4.1
207.01628	4.6
211.02774	6.0
213.00714	5.8
213.04333	14.9
219.01746	41.6
221.01050	6.5
221.03011	5.3
231.05241	5.3
237.00455	7.7
237.02802	100.0
239.02225	45.3
240.40480	4.9
242.03276	5.6
255.03922	10.5
257.03284	55.2
261.02689	6.0
269.03122	11.1
281.03320	6.2
287.04892	12.3
299.05469	9.6
311.00558	4.7
311.04224	7.4
313.13403	5.0
317.03113	10.6
365.05295	27.5
383.06348	45.0
401.07419	8.8
425.07550	53.9
442.56473	4.8
443.08737	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	425.0131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49543	0.4
56.96516	1.1
60.24599	0.5
69.30285	2.8
69.30708	1.0
69.61025	0.3
74.93109	0.6
90.35680	0.4
97.02859	0.7
98.97601	2.1
116.98615	3.7
134.99651	4.1
153.00667	0.6
172.95264	0.4
177.00935	1.4
178.00967	0.5
192.98749	1.4
211.00023	0.9
216.98866	1.6
219.02008	1.7
220.02039	0.4
221.01842	0.6
222.97878	0.8
226.89563	1.2
234.99989	12.8
236.00131	1.8
237.00026	0.5
240.98911	1.7
248.95979	0.5
249.98434	0.6
253.01054	5.5
254.01160	0.6
258.99988	27.2
260.00006	5.2
261.00107	1.0
261.03058	2.8
261.99847	0.5
262.02997	0.8
262.99976	0.4
263.02774	0.9
264.98743	3.3
273.46213	0.4
273.98743	1.3
274.97775	1.7
275.05063	0.4
275.98050	0.5
277.01035	39.2
277.98090	0.7
278.01096	7.2
279.00769	2.6
280.00977	0.5
282.01572	0.6
282.99988	42.6
284.00092	7.5
284.99976	1.4
289.94244	0.5
291.99814	1.3
294.98978	0.5
295.02124	0.7
298.97775	0.6
300.02487	1.3
301.01044	100.0
302.01147	15.3
302.04544	0.8
303.00980	3.4
304.01016	0.7
316.98917	1.5
317.98929	0.9
318.98669	1.5
319.02124	6.9
320.02109	1.4
324.02615	5.0
325.02716	0.7
342.03815	0.5
359.00003	1.4
364.99271	1.1
401.01190	4.0
402.01416	1.0
403.00931	1.0
404.01273	0.7
407.00043	4.5
408.00150	0.9
418.98907	0.6
425.01144	18.7
426.01257	3.5
443.02249	80.2
444.02359	15.8
445.02435	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	20.7
60.53131	14.3
61.02911	12.5
62.06078	35.6
69.03428	19.7
69.24528	100.0
69.24954	55.0
70.06580	29.7
74.54530	12.0
79.05497	22.3
86.09710	34.0
91.05492	26.0
93.07073	26.2
95.08617	17.6
97.02890	13.4
100.07612	20.5
105.07025	17.5
107.08617	12.1
109.02824	24.2
109.06548	15.6
119.08500	16.1
121.06471	42.6
122.02399	32.0
123.04442	30.5
146.05962	16.5
147.04395	16.1
153.01799	52.4
163.03883	14.2
167.07121	22.3
177.05391	20.3
179.03268	14.5
199.02284	14.1
206.11954	14.1
209.15407	23.1
214.48962	12.4
226.18016	27.3
240.03081	21.3
244.19037	20.9
245.04492	24.1
287.05487	19.8
304.08130	25.0
312.42627	14.2
406.14066	13.4
424.15320	45.7
425.08704	14.9
425.13950	16.7
434.72217	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	424.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	64.2
61.45396	2.9
67.05492	7.9
68.64990	2.7
69.07057	6.4
71.08633	54.8
71.58793	2.7
75.49413	3.0
81.07069	6.2
85.10184	28.0
89.06033	100.0
93.07100	3.3
95.08609	4.1
95.61014	2.5
97.10201	3.8
99.11745	6.5
99.65791	2.8
107.07059	5.6
109.40766	2.8
111.11744	3.7
112.11253	3.6
117.09185	3.0
130.08627	5.5
133.08603	64.6
134.08969	3.2
151.09650	7.9
177.11264	12.3
195.12309	5.1
217.90636	2.9
239.14900	37.5
298.25766	3.1
301.27338	4.2
407.33716	27.6
439.35974	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	423.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	2.7
55.05505	14.1
65.03938	2.8
67.05503	46.4
69.07078	18.3
72.71478	2.4
74.52318	2.2
79.05496	23.3
81.07056	75.4
83.08625	6.5
91.05484	21.9
93.07035	47.3
95.08604	100.0
97.10173	5.5
105.07028	44.4
107.08592	63.3
109.06508	6.1
109.10153	94.8
111.08083	5.2
111.11729	3.6
117.07017	5.8
119.08572	45.3
119.09357	3.4
121.10141	52.2
123.08083	2.7
123.11697	26.0
125.09678	2.7
131.08557	11.5
133.10126	35.7
135.11676	25.1
137.13246	5.3
139.03931	2.9
143.08543	4.8
145.10135	24.1
147.11676	31.7
149.02281	3.3
149.13261	28.4
157.10175	3.2
159.11700	23.4
161.13271	37.5
163.14841	8.9
171.11736	2.4
173.13304	13.7
175.14796	17.7
177.16341	11.9
179.14359	3.2
185.13278	5.3
187.14774	11.8
189.16382	18.0
191.17970	8.2
199.14856	4.1
201.16357	14.9
203.17978	28.6
205.15863	6.4
207.17413	11.5
213.16501	4.1
215.17949	15.9
217.19551	27.8
219.17397	5.2
227.18045	3.6
229.19531	6.4
229.23462	3.7
243.21101	4.0
255.21049	3.6
257.84485	2.7
271.24225	3.1
329.28354	3.0
365.31952	2.9
405.35208	7.5
423.23547	8.4
423.36270	57.6
424.36728	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	424.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.3
55.01848	5.3
55.05497	9.8
57.03420	5.3
59.05003	14.6
61.02921	5.4
65.71352	3.2
67.05489	9.0
69.03423	21.0
69.07075	17.4
70.74517	6.6
71.04985	16.8
71.08631	4.9
79.05479	5.3
81.03407	25.6
81.07060	33.2
83.04977	4.9
83.08624	28.6
84.04485	10.0
85.02425	4.7
85.02908	54.6
85.06510	3.0
87.00816	20.3
91.05470	9.2
93.07054	9.3
95.04933	4.3
95.08635	4.0
97.02878	24.9
97.06509	4.1
97.10174	6.5
99.04432	10.3
99.08096	8.4
100.11243	3.5
103.05424	3.5
105.01878	19.9
105.07014	9.4
107.08599	4.8
109.02894	25.3
117.07031	3.0
119.08581	4.5
121.06504	25.3
121.10152	3.6
123.04436	4.0
123.11709	66.0
127.03918	45.8
133.10075	3.7
135.11685	2.9
137.05988	8.0
138.05460	4.4
141.12743	100.0
142.13062	3.8
145.04973	13.0
145.06511	3.0
145.10104	4.8
151.07491	4.2
159.02884	4.9
159.11696	3.1
159.13795	43.9
166.14751	3.0
169.75890	2.9
187.11191	4.4
187.23061	2.6
205.12358	2.7
213.03993	6.0
231.05104	4.3
245.11650	10.4
287.05432	7.4
347.74615	2.6
424.26111	5.1
425.21478	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	423.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	14.6
57.07052	5.9
65.03932	2.6
67.05503	30.2
69.07065	20.8
70.76066	6.0
79.05482	14.9
81.07054	53.6
83.08610	9.5
91.05460	17.1
93.07037	39.6
95.00249	2.3
95.04933	2.6
95.08602	100.0
97.10155	6.1
105.06316	2.0
105.07024	41.8
107.08595	54.9
108.90736	2.3
109.06504	4.0
109.10149	52.2
111.08107	14.5
111.08734	3.0
111.11706	4.2
114.21316	2.1
117.07018	6.7
119.07799	3.5
119.08576	45.4
121.10144	36.9
123.11726	23.3
127.05077	2.4
131.08571	13.2
133.10127	40.3
135.11691	28.2
137.13245	6.3
139.11194	3.2
143.08577	6.0
144.09224	2.7
145.10120	24.4
147.11691	24.0
149.13245	19.3
151.11131	3.8
157.10118	11.0
159.11694	27.2
161.13268	28.1
163.14786	20.4
165.12732	3.5
171.11690	7.9
173.13268	18.3
175.14813	16.4
177.16380	19.9
185.13235	4.3
187.14792	12.8
189.16402	20.0
191.14226	2.7
191.17931	8.2
199.14839	7.6
201.16357	33.8
202.16905	2.0
203.17958	26.8
205.15935	4.3
205.19502	6.1
213.16394	8.8
215.17946	14.2
217.15985	3.2
217.19455	13.0
219.17462	6.3
225.16434	2.7
227.17967	10.7
229.19492	14.3
231.17497	2.7
231.21190	3.1
239.18042	2.8
241.19521	7.7
243.20958	7.4
255.21065	6.9
257.22690	8.2
269.22781	10.5
283.24173	5.6
365.32065	7.3
405.35110	7.9
423.36166	80.1
424.36572	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.9
55.05516	13.2
57.03434	1.7
57.07072	4.3
62.10236	1.6
67.05166	2.9
67.05503	35.8
67.05833	2.9
69.07066	19.6
70.32516	4.5
71.04998	1.9
73.72327	1.4
79.05493	16.6
81.07056	48.7
83.08611	11.0
88.07639	1.9
91.05479	15.3
93.07039	37.2
93.07969	1.6
95.04997	3.3
95.08605	100.0
97.10171	6.6
98.21518	2.0
99.08099	1.7
104.84785	1.7
105.07026	31.9
107.08591	54.0
107.09300	3.2
109.06509	3.2
109.10152	53.3
110.10495	2.2
111.08080	17.1
111.11729	5.0
117.07013	5.5
119.08580	44.6
121.10140	36.1
121.55926	1.7
123.11707	19.6
125.09592	1.9
129.06964	3.1
131.08557	12.2
133.10126	39.9
135.11697	23.8
137.13237	7.5
139.11200	2.4
143.08597	4.7
145.10126	23.1
147.11681	25.9
149.02350	10.5
149.03336	1.7
149.13272	22.3
150.02684	5.1
151.11176	2.2
157.10153	9.3
159.11694	27.3
161.13246	22.4
163.14799	17.1
165.12796	2.6
169.10100	2.6
171.11722	7.5
173.13268	14.3
175.14880	11.0
177.16382	20.1
179.17914	2.7
185.13263	4.5
187.14810	15.7
189.16371	18.9
191.14310	3.8
191.17969	10.1
193.04985	10.2
193.06512	1.6
193.15849	3.3
194.05342	6.8
197.13167	2.9
199.14793	6.4
201.16380	32.8
203.17957	27.6
205.15924	3.9
205.19574	3.4
207.17487	2.7
211.15009	2.4
213.16408	7.0
215.17926	13.3
217.15930	4.7
217.19530	15.4
219.17464	4.8
227.17896	9.9
229.19548	8.6
231.21153	3.6
233.18942	2.8
239.17944	2.3
241.19547	5.2
243.21121	4.6
245.18875	1.8
253.19377	2.7
255.21158	7.5
257.22745	8.5
257.26685	5.6
259.20795	2.2
267.21002	2.9
269.22592	9.2
271.20746	1.8
271.24335	2.5
283.24207	4.5
285.22284	2.1
290.67450	1.5
299.23679	2.0
301.97113	1.8
313.25220	2.7
365.32108	7.0
405.35132	7.7
423.23419	7.2
423.29269	17.6
423.36200	73.4
423.42017	3.6
424.36319	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75405	1.8
52.52255	1.7
55.05515	10.7
57.07063	4.1
67.05505	22.9
69.07068	19.9
70.76142	5.7
79.05495	16.6
81.07059	42.1
83.08625	8.5
85.17319	2.3
87.71281	1.7
91.05484	15.5
93.07042	30.3
95.04971	1.9
95.08604	100.0
97.10162	5.0
99.12620	1.9
105.06379	3.5
105.07026	33.4
107.08591	49.7
108.08958	2.8
109.06510	2.6
109.10155	50.4
110.44221	1.7
111.08072	12.4
111.11727	2.2
117.07020	2.9
119.08575	43.9
119.09354	3.2
121.10140	41.0
123.08035	2.3
123.11701	21.5
129.07065	2.0
131.08563	14.4
133.10123	41.9
133.40311	1.8
135.11693	28.0
135.55856	2.0
136.36296	2.2
137.13252	6.2
139.11165	3.8
139.12177	2.5
143.08588	4.9
144.09201	2.2
145.10110	20.6
147.11684	21.9
149.13271	15.5
151.11220	2.7
151.14841	3.4
151.63582	1.7
157.10139	8.4
158.10983	2.6
159.11687	22.9
161.13239	20.7
163.14821	16.2
171.11659	5.3
173.13223	18.3
175.14822	10.6
177.16414	19.5
181.09985	2.0
183.11592	3.0
185.13301	7.2
187.14828	14.3
189.16385	18.3
191.17856	9.9
199.14830	7.1
201.16373	35.6
203.17938	27.6
205.15918	3.8
205.19562	4.7
207.17400	2.4
211.14897	2.5
213.16371	8.2
215.17970	15.8
217.15768	3.2
217.19482	14.0
219.17485	5.9
227.17854	6.0
229.19516	10.4
231.17216	3.1
231.21066	3.3
233.18858	2.8
240.48036	1.9
241.19533	5.2
243.21046	5.9
245.18997	3.1
255.21083	8.8
257.22675	9.5
259.20523	2.3
269.22589	12.3
271.24326	3.9
281.22656	3.1
283.24133	4.7
295.24176	3.0
313.25311	2.7
365.31992	10.8
405.34851	9.7
423.36176	84.6
424.36426	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	17.7
57.07079	5.1
62.96597	2.4
62.97968	2.7
67.05502	33.8
69.07069	24.3
69.30447	18.1
69.30868	11.3
79.05481	15.3
81.07053	57.8
83.08624	10.7
91.05466	14.5
93.07043	36.8
95.08604	100.0
97.10171	7.9
105.07018	42.9
107.07870	4.7
107.08588	60.8
108.08939	3.2
109.06521	4.7
109.10148	71.5
111.08056	7.3
111.11715	3.2
117.07048	4.1
119.08575	55.8
121.10146	42.8
123.11692	23.5
124.12019	2.6
131.08563	14.0
133.10126	53.5
133.11095	4.1
135.11688	35.6
137.13231	6.6
139.11188	9.2
143.08588	7.5
145.10139	23.9
147.11653	32.1
149.13243	25.4
151.14766	3.1
152.47557	2.5
157.10124	7.8
158.10957	2.6
159.11702	21.9
161.13232	27.0
163.14832	12.1
165.12767	3.7
169.10155	2.8
171.11745	8.6
173.13271	19.7
175.14853	23.0
177.12776	3.1
177.16374	19.5
185.13268	8.6
187.14813	16.8
189.16362	17.5
191.17969	10.3
197.13229	2.9
199.14862	7.1
201.16354	23.2
203.17969	44.1
205.15808	6.1
205.19580	3.7
213.16434	8.7
215.17928	19.2
217.19527	20.8
219.17453	5.5
227.17865	13.0
229.19557	9.5
230.79907	3.0
231.21141	3.8
233.19017	5.0
239.18083	2.9
241.19485	5.5
243.21185	3.2
255.21111	7.2
257.22607	4.5
267.20993	3.3
269.22736	6.7
269.75662	2.5
285.25870	3.3
295.24139	5.7
313.25330	3.5
365.32065	6.0
405.35294	17.4
423.36194	87.3
424.36380	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	423.362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	19.5
57.07059	4.7
57.49321	3.6
65.03956	4.7
67.05503	62.4
69.07059	23.1
69.85915	19.5
77.40847	3.7
79.05495	27.6
81.07053	69.5
83.08620	18.8
90.38268	3.5
91.05492	21.5
93.07040	48.7
95.04974	7.4
95.08601	100.0
97.10188	5.2
105.07025	46.8
107.08591	67.6
109.10157	70.2
111.08082	10.8
117.07012	7.4
119.08571	47.4
121.06470	3.9
121.10139	41.7
123.11699	19.4
126.90987	3.6
129.99809	3.6
131.08571	15.2
133.10115	46.3
135.11674	25.7
137.13245	8.9
139.03958	5.3
143.07402	4.2
143.08600	7.2
144.01585	3.4
145.10075	26.2
147.11685	26.7
149.13246	22.6
157.10159	12.6
159.11722	22.7
161.13266	24.4
163.03824	4.2
163.14822	17.8
169.10066	5.4
171.11671	7.3
173.11855	8.0
173.13301	21.1
175.14806	17.2
177.16333	8.6
183.11714	5.4
185.13252	7.6
187.14854	20.8
189.16364	20.1
191.17856	8.5
199.14813	5.5
201.16426	20.5
203.17946	35.2
205.19479	4.5
211.14870	6.5
213.16428	7.5
215.17975	15.0
217.19518	14.7
219.17358	4.4
225.16298	6.3
227.17953	8.2
229.19469	10.8
235.82852	4.4
243.20981	7.3
247.20670	4.1
255.21173	5.4
257.04443	6.5
257.22711	10.2
269.22681	14.3
332.22421	4.5
365.31696	4.3
371.96661	4.5
403.39752	4.5
405.34933	11.5
423.22897	7.5
423.36264	84.2
424.27808	6.0
424.36438	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	423.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19865	1.7
55.05512	16.2
57.07080	4.0
59.88564	1.9
65.03915	2.0
67.05179	2.2
67.05503	29.8
69.07057	19.4
69.93540	11.0
79.05495	15.4
81.06584	2.8
81.07053	53.8
83.08606	11.4
91.05475	15.4
93.07040	35.0
95.04944	3.2
95.08606	100.0
97.06502	2.6
97.10159	6.2
98.20776	2.4
100.11255	8.1
102.16971	2.0
105.07023	37.4
107.08591	59.4
109.06522	4.6
109.10149	45.3
111.08057	13.7
111.11689	5.7
117.07017	6.2
119.07794	3.8
119.08580	45.4
120.08109	1.8
121.10143	34.3
123.11713	21.1
129.07019	2.7
131.08571	10.4
133.10124	39.9
134.10515	2.0
135.11682	27.0
137.09630	3.0
137.13248	7.6
139.11168	6.3
143.08549	7.2
144.09312	2.1
145.10124	22.9
147.11671	27.0
149.13243	19.3
151.14832	2.9
153.01820	2.5
153.44574	1.8
155.08487	1.8
156.09251	2.1
157.10150	10.1
159.11703	27.9
161.13222	24.3
163.14799	15.5
165.12732	4.1
171.11723	7.4
173.13254	17.5
175.14813	11.8
177.16353	15.0
182.15385	2.4
183.11681	3.7
184.12349	2.2
185.13252	8.7
187.14870	16.9
189.16400	18.2
191.17984	7.4
193.15865	2.6
199.14838	8.6
201.16383	30.8
203.17929	28.2
205.15912	2.6
205.19580	3.2
207.17421	4.0
210.14990	3.7
213.16357	7.9
215.17957	14.1
217.19450	12.8
219.17424	3.3
227.17915	13.0
229.19432	10.8
230.12300	2.0
231.21086	2.7
241.19534	6.1
243.21149	7.5
245.19185	2.5
255.21085	11.6
257.22699	6.1
260.61502	2.0
267.21094	2.4
269.22632	11.6
271.20602	1.9
271.24075	3.2
283.24124	2.3
287.05386	2.3
295.24164	2.7
313.25232	3.1
365.32022	6.8
405.35428	6.7
423.36230	75.3
424.36469	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	16.7
56.20884	2.7
60.56776	2.5
65.49133	2.5
67.05505	32.7
67.50481	2.4
69.07063	23.5
71.58862	4.3
77.54050	2.6
79.05483	20.5
81.07053	54.3
83.08615	9.6
88.74870	2.8
91.05479	19.4
93.07042	34.7
95.04945	3.4
95.08602	100.0
96.08920	3.1
97.10160	6.4
105.07027	38.8
107.04942	3.9
107.08593	54.3
109.06475	3.1
109.10154	61.9
109.77925	2.8
111.08080	11.6
111.11699	2.9
111.91155	2.8
117.07042	6.5
119.08578	47.0
120.61250	2.8
121.06494	3.0
121.10128	41.7
123.11710	20.2
129.07007	3.2
131.08545	13.3
133.10129	40.9
135.11684	27.0
137.05917	3.5
137.13268	6.7
139.11140	5.0
143.08537	5.2
145.10100	25.7
147.11691	32.9
149.13271	18.1
151.04008	3.0
151.14885	2.8
157.10098	10.8
159.11705	25.2
161.13252	27.6
163.14824	18.1
171.11699	6.1
172.99365	2.6
173.13283	15.0
175.14796	16.5
177.16382	19.1
185.13318	5.8
187.14822	15.1
189.16382	18.7
191.17949	10.5
199.14813	6.8
200.15404	2.8
201.16382	26.0
203.17923	31.4
205.15874	5.6
205.19460	5.4
207.17522	5.9
213.16373	8.7
215.17969	16.4
217.16035	3.8
217.19473	16.9
219.17561	4.3
227.17990	7.2
229.19524	10.9
231.21178	2.9
241.19704	3.1
243.21086	6.6
255.21033	11.4
257.22830	4.8
269.22614	9.4
271.24091	2.6
280.52643	3.1
283.24225	5.3
296.02509	2.8
365.32153	3.6
405.35205	7.6
423.16025	8.4
423.23502	26.9
423.36206	84.9
424.23981	3.1
424.36520	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	423.362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
54.40778	1.2
55.05506	12.7
57.07066	3.2
58.40092	1.0
65.03940	1.9
67.05170	2.1
67.05502	25.6
68.18047	1.0
69.07064	21.3
71.08632	1.3
79.05490	14.7
81.03461	1.0
81.07051	45.4
83.08615	9.4
84.04458	1.1
85.02915	1.4
91.05479	15.4
93.07040	37.8
95.04965	2.6
95.08604	100.0
96.08951	1.5
97.06518	1.1
97.10144	6.0
105.07029	36.2
107.08588	56.8
109.06505	3.5
109.10151	52.6
109.10904	1.0
110.10509	2.0
111.08083	11.2
111.11739	3.6
115.05457	1.8
117.07009	5.7
118.29189	1.1
119.08575	48.5
121.06483	3.7
121.10138	37.5
123.11697	22.5
128.06158	1.3
129.06998	2.4
130.07751	1.3
131.08571	11.4
133.10126	47.1
134.10493	1.4
135.11682	31.1
137.13245	5.8
139.11206	4.3
142.07758	1.6
143.08545	6.2
144.09315	1.2
145.10114	21.9
147.11684	26.6
149.13269	18.9
151.11165	2.1
151.14813	1.8
153.01868	1.8
153.12744	1.4
157.10136	9.2
158.10857	1.4
159.11671	26.7
161.13254	24.1
163.14816	16.4
165.12720	2.1
167.07053	1.1
167.14351	1.6
169.10176	1.4
170.10854	1.3
171.11697	7.1
173.13255	17.5
175.14806	17.1
177.16379	16.5
179.17957	1.3
183.11650	1.9
185.13240	5.9
187.14825	17.7
189.16380	19.3
191.14381	1.6
191.17984	9.5
193.15944	1.5
197.13255	1.8
198.36279	1.3
199.14848	6.5
201.16371	28.8
202.16833	1.2
203.17955	37.4
203.19748	2.2
205.15915	4.3
205.19580	3.1
207.17491	1.8
211.14825	2.3
213.16368	8.5
215.17984	11.3
217.15985	2.5
217.19484	14.9
219.17461	7.3
221.18871	1.7
225.16364	2.7
227.17914	10.8
229.19499	11.6
230.20090	1.8
231.17490	1.4
231.21083	3.2
233.18987	3.0
239.17883	1.7
241.19484	5.9
243.21060	6.1
245.19145	1.7
247.20609	2.1
253.19406	2.8
255.21033	9.5
257.22620	8.4
259.20502	1.6
267.21085	1.4
269.22641	13.1
271.20709	1.8
271.24185	3.8
273.22192	1.1
283.24203	4.4
285.22311	1.5
285.25677	1.3
295.24170	2.2
297.25800	2.3
299.23727	2.1
313.25259	2.7
353.28503	1.2
365.32019	7.5
405.35107	8.1
423.24084	2.8
423.36206	82.0
423.79382	1.1
424.36441	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	423.362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	1.7
53.03936	2.1
55.05504	14.4
57.07077	4.3
61.83628	1.3
64.51231	1.7
65.49593	1.5
67.05501	34.2
69.03450	1.6
69.06158	1.4
69.07070	22.1
69.76469	7.0
69.76894	2.9
71.08603	1.4
79.05495	14.5
81.03422	1.8
81.06578	3.3
81.07053	52.6
81.08311	1.4
83.08612	10.1
91.05470	19.6
93.07044	37.0
95.04977	3.7
95.08604	100.0
97.02869	5.4
97.10161	6.3
102.81131	1.8
103.05453	1.7
105.04498	1.6
105.07030	36.3
107.08592	55.1
109.06512	3.7
109.10156	65.2
110.10506	1.5
111.08083	11.3
117.07030	3.3
119.08573	45.8
121.10144	44.5
123.08042	3.0
123.11703	21.3
127.03900	2.5
131.08580	12.0
133.10127	46.5
133.11092	3.1
135.11691	33.2
137.13232	9.0
138.61989	1.4
139.11194	6.1
142.07797	1.7
143.08545	5.4
144.09341	1.9
145.10123	24.5
147.11681	29.0
149.13258	19.5
151.11224	1.6
151.14830	3.6
156.09297	2.6
157.10132	10.7
159.11694	26.8
161.13258	24.3
163.14799	15.9
165.12756	3.5
170.58192	1.6
171.11615	7.3
173.13290	17.9
175.14781	13.6
177.16386	14.2
179.73111	1.5
183.11757	2.5
185.13290	7.6
187.14818	12.1
189.16356	17.5
191.17947	7.7
193.15858	3.4
197.13185	1.8
199.14854	5.9
201.16371	23.8
203.17952	32.7
205.15855	3.1
205.19524	3.4
207.17432	2.8
211.14827	2.0
213.16399	9.1
215.17918	12.9
215.33133	1.5
217.19521	18.2
219.17471	4.7
227.17981	6.4
229.19485	13.0
231.17442	2.1
231.21048	2.0
241.19534	5.2
243.21146	4.6
245.19060	3.9
255.21008	7.2
257.22745	5.3
259.20593	2.0
261.21939	1.9
267.21045	2.1
269.22684	10.0
271.20456	2.0
271.24158	3.3
281.22641	2.4
283.24258	3.0
295.24298	2.1
301.25247	1.8
313.25424	2.3
365.32010	5.7
367.30307	1.9
405.34985	9.4
423.16296	5.4
423.36215	84.2
424.36481	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	423.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	5.0
57.07077	30.5
67.05504	14.3
69.03428	1.0
69.07059	3.0
70.90238	0.6
71.08630	29.1
71.59121	1.7
73.06560	6.9
79.05492	3.9
81.07047	8.7
83.08619	6.9
85.02885	0.8
85.10187	27.7
87.04469	2.4
89.06032	100.0
91.05477	2.8
91.07586	1.0
93.07057	5.3
95.04977	1.1
95.08623	4.6
97.06492	1.1
97.10175	0.8
99.11741	2.8
105.07063	1.6
107.07072	6.2
107.08596	3.0
109.06504	0.8
109.10159	9.6
111.08058	0.9
117.07002	0.9
117.09132	2.2
119.08576	1.6
121.10143	1.7
123.08109	0.8
130.08650	2.9
133.08604	34.1
135.11719	1.3
141.16406	2.6
147.11707	0.8
149.13248	2.0
159.11652	1.0
161.13260	0.9
173.11731	2.5
177.11234	6.7
185.19019	2.6
195.12296	1.0
195.13872	1.1
201.16417	0.8
229.21628	2.0
239.14809	1.2
283.17661	2.0
423.27289	4.3
423.36713	1.1
424.27722	1.2
428.23993	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.01859	0.9
55.05511	12.5
57.03437	2.8
57.07055	0.7
59.05003	3.3
62.57986	0.8
65.03940	3.2
67.05505	100.0
68.05839	1.0
69.07069	10.0
70.06618	3.9
71.04999	4.4
73.18722	0.7
73.58311	0.7
79.05492	21.4
81.03414	2.0
81.07057	43.6
83.04996	1.8
83.08617	11.9
85.06550	3.5
88.88493	0.7
91.05485	12.4
93.07045	27.9
93.07632	1.6
94.07317	0.9
95.04967	3.8
95.08605	13.5
97.06551	4.3
98.20840	1.3
99.08083	1.5
105.07018	4.0
107.04953	0.9
107.08598	13.7
109.06498	1.8
109.10156	54.5
110.10467	1.0
111.08082	4.0
117.07018	4.0
119.08591	5.0
121.06533	1.0
121.10120	7.1
123.11716	0.8
131.08588	4.0
133.10138	4.7
135.11674	4.5
137.09596	2.9
149.13263	12.5
151.11127	1.1
155.10748	1.6
159.11681	6.1
173.11732	15.8
177.12755	2.4
193.05061	0.8
195.13799	8.4
196.37030	0.8
213.15060	1.2
231.65099	0.8
244.83234	0.7
245.53456	0.7
247.80782	0.9
423.27399	29.0
424.27725	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.7
54.87150	3.0
55.01864	8.5
55.05502	19.7
55.76630	2.6
56.77764	3.1
57.03424	6.0
57.07060	5.7
57.87174	2.5
58.61845	2.7
67.05500	72.6
67.05833	5.1
69.03437	6.4
69.07073	19.5
71.04991	6.2
71.08625	3.7
71.58479	3.9
71.58875	3.3
79.05493	25.5
80.24966	2.3
81.03423	6.8
81.07058	50.9
83.08627	10.5
85.02894	3.4
85.06548	2.8
85.10162	2.3
86.09710	9.7
91.05486	20.5
93.07040	38.2
95.04980	5.4
95.08600	40.2
97.02888	14.8
97.06507	3.3
97.10152	3.9
99.04463	11.3
99.08125	2.8
105.07031	15.8
107.08571	20.8
109.02888	6.2
109.06531	12.5
109.10153	38.3
117.07010	5.3
119.08595	11.7
121.06499	3.3
121.10126	16.3
123.08061	57.4
123.11727	6.8
125.00050	3.4
125.09637	3.4
127.03901	14.4
131.08536	5.6
133.10190	10.1
135.08092	9.3
135.11720	9.1
137.09636	5.9
145.05006	3.5
145.10182	4.2
147.11742	7.9
149.13307	9.7
151.14812	3.2
153.65280	2.8
156.28046	3.0
156.36923	2.7
156.67397	2.9
159.11722	7.5
161.13333	4.2
173.11833	6.2
177.12816	5.1
179.14297	38.9
179.15562	3.3
184.07307	20.2
195.13782	3.1
261.22263	6.4
288.76343	2.8
296.79803	3.4
300.98837	2.6
303.26880	5.0
331.26328	37.9
331.30124	3.7
349.27435	10.9
423.31229	100.0
423.35327	5.5
424.31461	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21912	1.2
53.03941	2.5
55.05511	14.4
57.03436	3.1
57.07069	1.7
59.04990	3.3
59.12023	1.0
65.03934	3.8
67.05504	100.0
68.05838	1.7
69.07064	11.7
71.04990	4.7
73.02911	1.1
79.05486	21.4
81.03419	2.5
81.07057	45.9
83.04970	2.8
83.08615	13.9
85.06551	4.6
91.05473	15.9
93.07038	26.3
95.04966	3.6
95.08044	1.5
95.08609	13.3
97.06544	5.1
97.10157	1.4
97.65833	1.0
99.04404	1.1
100.05246	1.1
105.07034	5.1
107.08592	14.2
109.06524	2.8
109.10155	59.1
111.08084	5.4
117.07011	4.0
119.08600	5.5
121.10134	8.9
123.11736	1.7
131.08580	4.9
133.10109	6.7
134.69945	1.1
135.11697	5.9
137.09660	3.4
147.11653	1.3
149.13269	14.6
151.11215	1.2
151.93004	1.1
155.10695	3.8
159.11703	4.3
173.11736	20.5
177.12836	2.6
195.13867	7.3
202.04997	1.0
410.55420	1.1
423.27405	36.3
423.32416	2.0
424.27606	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.01857	1.4
55.05512	13.0
55.49437	0.8
57.03424	3.4
57.07047	2.6
57.18617	0.8
59.04987	3.6
65.03930	3.3
67.05503	100.0
69.03423	1.0
69.07071	10.7
69.35768	8.8
71.04996	4.2
77.92826	0.7
79.05070	1.3
79.05495	20.2
81.03418	1.6
81.07053	47.4
83.04974	2.1
83.08619	11.4
85.02879	1.2
85.06532	5.1
91.05484	16.7
93.07038	28.6
95.04963	4.9
95.08608	14.4
96.92605	0.8
97.02884	0.8
97.06526	5.6
97.63863	0.8
103.05360	0.8
105.07043	4.3
107.08589	11.9
109.06503	2.0
109.10152	53.0
111.08095	5.1
117.07019	4.3
119.08565	5.9
121.06503	1.4
121.10131	7.9
123.11707	1.9
125.09641	0.9
131.08566	4.0
133.10138	5.8
135.11676	6.6
137.09613	2.6
139.11130	0.9
145.10176	0.9
147.11624	0.9
149.13254	13.7
155.10657	2.8
159.11710	7.4
167.14436	0.9
173.11746	20.2
177.12732	2.8
179.41562	0.8
186.15862	0.8
195.13783	10.5
309.08969	1.0
423.27359	34.1
423.32999	1.8
424.27768	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.274
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
53.03933	8.4
55.01865	9.5
55.05503	26.4
57.03423	11.9
57.07074	6.8
66.51128	3.8
67.05502	100.0
69.03428	27.4
69.07066	30.8
69.53220	8.5
69.53644	19.0
71.01353	3.0
71.04989	5.9
73.02918	3.6
79.05488	56.5
81.03419	36.4
81.07058	96.4
83.04961	12.1
83.08608	14.7
85.02879	14.4
91.05481	53.5
93.07044	76.7
95.04949	16.9
95.08604	67.8
97.02887	18.6
97.06530	7.8
97.10148	7.5
98.21472	7.8
99.04445	5.5
105.07027	51.8
107.04955	8.3
107.08578	41.9
109.02846	9.1
109.06487	7.3
109.10150	41.3
110.04364	3.4
111.04426	8.3
111.08093	7.2
117.07005	22.7
119.08566	41.8
121.06489	9.7
121.10155	33.4
123.08058	7.5
123.11683	12.2
127.03926	4.1
129.05501	7.7
129.06990	6.7
131.08557	27.1
133.06490	7.3
133.10123	33.0
134.45663	3.1
135.11690	26.9
137.13263	6.2
139.11227	4.2
143.08556	14.6
145.10114	27.0
147.08029	10.0
147.11707	25.2
149.09589	4.5
149.13298	20.3
155.08626	5.7
157.10138	8.8
159.11700	25.4
161.13242	12.7
163.14832	10.0
167.08432	4.1
169.10101	6.4
171.11664	9.5
173.09641	4.4
173.11911	4.4
173.13251	15.5
175.14816	8.3
181.10301	3.2
185.13312	10.1
187.11015	4.2
187.14848	11.2
188.17882	3.4
189.12735	3.7
194.64714	3.4
197.13062	4.0
199.14810	6.1
203.14336	4.3
241.19545	9.1
243.21147	7.3
247.16876	4.2
259.20648	19.3
261.14856	3.8
261.22119	14.5
271.20340	4.6
273.21942	4.4
275.23602	4.8
289.21408	3.7
291.23227	4.6
303.23102	22.5
315.23178	4.6
341.24823	10.3
345.24338	4.2
351.23093	5.0
369.24231	20.3
387.25333	29.1
405.26315	30.0
423.27182	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	423.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.3
55.01864	3.2
55.05505	24.9
56.96555	3.8
57.03436	6.0
62.63841	2.7
67.05502	100.0
68.05820	3.7
68.55341	2.6
69.03413	13.4
69.07071	24.4
70.31161	2.7
71.04983	6.9
71.59136	4.4
79.05064	3.8
79.05492	46.3
80.73170	2.8
81.03416	15.2
81.07050	61.8
83.04958	8.4
83.08603	11.7
85.02907	4.3
85.06526	4.1
91.05482	40.4
91.68203	3.2
93.07036	55.5
95.04964	15.5
95.08607	38.9
96.81520	2.9
97.02856	7.5
97.06516	7.3
97.10180	4.6
98.97549	5.8
105.07017	27.1
107.08577	30.9
109.10151	49.9
111.04375	4.5
111.08073	3.5
117.06994	12.4
119.08585	19.2
121.10132	24.2
121.81010	3.0
123.08060	7.4
123.11689	9.6
125.09599	4.1
129.06943	6.2
131.00127	4.1
131.08560	17.1
133.10127	19.3
133.52689	3.3
135.08078	5.5
135.11653	14.2
143.08528	6.0
145.06433	3.2
145.10110	13.1
147.11678	9.9
149.01143	4.5
149.13228	16.9
150.15089	2.8
157.10138	7.1
159.08073	3.4
159.11691	12.3
171.11617	4.2
173.11772	8.1
173.13228	6.6
177.00684	4.2
177.12761	3.8
195.13766	4.3
259.20514	4.2
261.22095	7.3
271.05829	3.4
277.21899	4.0
289.21823	3.5
331.22736	3.4
335.18546	3.0
369.24289	7.5
387.25253	6.8
405.26157	6.8
423.27206	24.9
423.31982	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	423.274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50804	1.3
53.10675	1.4
53.51960	1.5
54.09168	1.4
55.01863	2.0
55.05514	16.5
57.03431	2.8
57.07075	8.3
59.04986	2.5
65.03936	1.8
67.05505	100.0
68.89111	1.2
69.07071	12.6
71.04967	3.4
71.08622	5.6
71.59243	2.4
73.06546	1.8
79.05491	20.8
81.03418	2.2
81.07054	52.7
83.04985	2.8
83.08624	15.5
85.06535	4.0
85.10168	4.7
89.06026	19.4
91.05479	18.1
93.07045	27.9
95.04951	6.0
95.08619	16.1
97.06519	5.6
99.08100	1.9
105.07002	8.6
107.07074	1.8
107.08588	16.0
109.10157	51.6
111.08071	6.2
117.06990	2.6
117.09041	1.4
119.08547	8.5
121.10124	7.5
123.11692	2.2
124.94810	1.5
129.07005	1.6
131.08531	7.2
133.08598	6.0
133.10115	5.9
135.07996	1.5
135.11728	6.5
137.09579	3.2
145.10127	1.8
147.11673	2.1
149.09700	1.6
149.13254	16.1
155.10611	2.9
159.11693	7.2
173.11757	17.5
177.11214	2.2
177.12741	2.9
195.13820	6.2
201.46484	1.3
256.18735	1.3
351.29095	1.4
405.25549	1.4
423.27252	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90112	0.7
52.39071	0.8
53.03942	1.7
55.01869	0.9
55.05513	12.6
57.03436	3.8
57.07079	1.3
59.04987	3.6
65.03938	2.8
67.05504	100.0
69.07066	9.9
69.32832	3.5
69.33252	4.4
71.04992	3.8
79.05490	19.2
81.07055	46.9
83.04993	2.5
83.08617	10.5
85.06548	3.3
90.26509	0.8
91.05481	14.8
93.07042	26.8
95.04973	3.5
95.08606	10.6
97.06541	5.1
99.08092	1.6
105.07053	4.1
105.16727	0.7
107.08593	16.4
109.06549	1.4
109.10153	57.0
109.62570	0.7
111.08080	4.9
113.06033	1.0
117.07021	4.7
119.08566	4.3
121.10145	6.8
123.11720	1.5
131.08563	3.0
133.10114	3.7
135.11690	3.7
137.09602	2.7
139.11186	0.9
149.13252	15.9
155.10666	3.6
159.11696	6.7
164.90805	0.8
173.11737	17.3
175.12053	1.0
177.12720	4.3
195.01854	0.7
195.13811	5.9
213.14848	1.2
331.22324	1.1
423.27435	33.6
424.27985	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.5
55.01860	7.8
55.05509	21.5
57.03431	7.4
57.07065	3.4
58.74583	1.8
59.04984	3.1
65.03949	1.8
67.05504	100.0
69.03432	17.3
69.07069	13.6
69.30867	19.6
71.05003	10.3
73.02921	3.0
79.05490	56.2
81.03425	16.5
81.07056	82.5
83.04975	5.0
83.08616	10.5
85.02897	4.8
85.06561	3.6
91.05479	32.6
93.07039	60.4
95.04961	9.9
95.08607	44.3
97.02887	43.8
97.06512	6.4
97.10168	3.8
99.04457	22.6
99.08073	3.4
101.02368	2.4
105.07034	23.0
107.08598	35.8
109.02884	10.8
109.06517	5.5
109.10155	47.5
111.04398	2.1
111.08086	6.2
117.07016	11.6
119.08575	17.5
121.10140	31.5
123.08073	5.8
123.11691	7.0
127.03912	24.8
129.07062	1.8
131.08569	16.2
133.10136	17.0
135.08051	2.2
135.11684	19.2
137.09654	2.2
137.13179	1.7
143.08556	2.2
145.04929	4.7
145.10101	9.8
147.11662	10.4
149.13258	17.7
151.11279	2.0
157.10112	4.7
159.11678	10.9
161.13205	8.2
163.14792	3.4
171.07965	2.2
171.11656	2.6
173.09639	2.6
173.11720	9.2
173.13258	8.4
175.14828	3.6
179.14449	3.7
183.11630	2.0
185.13237	3.4
187.14841	5.3
195.13771	3.5
197.13359	2.3
221.13109	2.2
243.21017	3.7
259.20609	4.2
261.22116	19.5
277.21576	3.3
326.65158	1.9
349.27246	2.0
357.24194	2.9
423.26974	22.3
423.32327	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10454	7.9
53.25234	7.4
55.05507	23.1
56.96561	20.6
67.05511	100.0
69.07063	26.7
70.57412	29.9
71.34953	9.7
79.05489	32.4
81.03452	9.7
81.07056	74.9
83.08605	13.7
91.05490	25.2
93.07036	42.9
95.08602	89.8
105.07056	29.6
105.19868	7.9
107.08604	60.0
109.10157	95.9
111.08071	19.6
119.08588	44.2
121.10176	42.5
131.08568	25.6
133.10146	49.4
135.11726	29.4
137.13295	8.6
140.91322	7.8
145.10124	16.9
147.04526	9.1
147.11691	24.3
149.13301	32.3
157.10094	10.3
159.11714	25.1
161.13271	20.5
163.14839	10.7
173.11963	10.0
173.13316	19.4
175.14874	15.2
180.06775	9.0
189.16437	15.4
201.16325	11.4
203.18019	18.8
217.19507	15.1
279.16614	9.0
281.10587	37.2
299.11710	24.3
349.16833	15.5
349.79672	9.3
395.80200	8.8
405.35187	12.7
423.21609	74.9
423.27237	18.6
423.36148	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	423.201
Annotation	2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)-methyl]-1,4-butanediol
Peak:m/z	Relative Intensity
53.03927	1.1
55.01857	0.7
63.61858	0.7
63.75959	0.6
65.03941	0.5
68.32050	0.5
69.78978	4.2
78.04705	3.2
79.05476	3.7
81.07049	0.8
89.25186	0.6
90.23222	0.6
91.05479	3.1
93.07039	1.1
94.04188	0.6
95.04954	2.3
97.06528	0.6
103.05473	4.4
104.29818	0.7
105.07010	4.4
106.04158	1.9
107.04955	7.4
109.06536	0.8
115.05424	1.6
117.06980	1.1
119.04889	0.8
120.75372	0.6
121.06510	1.7
121.10960	0.6
123.04420	9.2
123.08055	0.6
124.05217	3.1
125.05981	1.7
126.06308	0.7
129.07004	0.8
131.04927	6.2
131.08595	1.0
132.05547	0.6
133.06485	5.7
134.03653	0.7
135.08063	1.4
137.05957	3.8
141.06989	0.8
143.18059	0.7
144.05733	1.1
145.06464	2.3
147.04401	2.0
149.05988	1.5
151.03871	1.0
151.07513	3.2
152.04697	2.3
153.05441	2.2
156.05605	0.7
157.06552	0.7
158.07207	1.7
159.08026	1.9
161.05972	5.7
161.21840	0.7
163.07533	12.7
167.07030	100.0
168.07677	5.1
169.08124	2.5
172.05171	1.4
173.05942	2.0
173.09627	1.1
175.07509	2.4
177.05533	1.0
177.09055	1.3
179.07011	1.5
181.08549	4.1
187.07506	2.7
193.08586	15.9
195.10143	0.9
201.09113	2.2
205.08598	1.5
219.10146	2.4
233.11661	2.4
237.11203	1.0
291.10178	1.5
309.07388	0.8
323.12772	2.3
355.15402	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64122	2.3
55.01867	4.7
55.05512	5.7
57.28673	1.9
61.01141	13.0
61.01402	2.3
67.05473	6.4
69.03417	3.3
70.06563	6.4
70.23353	2.1
71.57891	3.9
72.04517	11.7
72.08148	17.1
73.02879	4.5
74.71966	2.0
78.03785	15.4
79.05482	3.5
81.03394	2.3
81.07056	2.7
83.04942	3.1
83.06108	2.2
84.04494	8.5
84.08135	5.2
85.02884	11.5
85.06549	2.8
86.09700	11.5
88.02202	4.3
91.05486	10.5
95.33381	2.1
97.02866	4.2
98.09701	3.4
99.04456	4.7
99.05582	2.8
102.03751	25.0
103.02170	3.4
103.03951	18.5
109.02853	5.2
114.03720	3.4
115.55727	2.2
119.04942	5.2
120.04766	3.7
120.08101	17.4
120.96026	2.4
123.04440	26.2
124.07571	3.0
126.05518	22.5
127.03908	8.0
128.07155	3.2
129.10184	5.0
131.06384	11.1
132.04774	14.2
133.06445	2.7
135.04330	3.2
136.07591	16.6
137.05951	3.6
139.03903	5.1
142.08630	6.3
146.02705	3.1
147.04382	9.7
149.06419	2.2
149.07439	57.2
151.03880	2.6
152.07019	5.5
153.01801	8.7
155.01566	2.7
161.09732	2.8
163.03857	10.9
165.05519	4.8
175.05444	3.9
180.06552	14.9
181.04970	4.6
184.09695	2.6
186.09215	2.9
198.07600	4.5
205.04953	4.5
205.09744	3.7
216.08655	3.4
219.06432	2.3
231.11491	4.8
235.05714	2.4
247.05905	2.7
253.06889	2.6
261.12418	4.2
271.08234	3.5
275.12521	3.3
276.12692	10.4
283.33914	2.3
293.11624	100.0
294.11929	5.0
393.57001	2.3
405.16953	28.7
423.12000	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1432
Annotation	(12aR,17bS,18aS)-17b-hydroxy-13,17b,18,18a-tetrahydro-11H-indolo[3',2':4,5]pyrrolo[2,1-c]quinazolino[3,2-a][1,4]benzodiazepine-5,11(12aH)-dione
Peak:m/z	Relative Intensity
53.03925	0.8
57.03413	0.7
58.99590	6.5
61.02924	1.1
61.44976	0.7
67.05508	7.9
69.03432	5.3
69.07066	18.0
70.83728	1.9
76.02232	3.1
81.03403	2.3
84.04482	0.7
85.02908	9.6
88.03949	1.1
95.04942	2.8
96.75203	0.6
97.02902	4.0
99.02664	2.6
99.04458	0.8
100.24644	0.6
101.04243	43.1
109.02852	2.2
110.06030	1.0
112.07607	3.2
116.98584	0.8
122.02666	0.9
126.05497	0.8
127.02167	4.1
127.03887	2.5
127.05762	2.4
129.03717	1.7
140.07050	8.6
142.06804	0.8
145.04939	1.4
154.08551	0.7
155.01611	1.3
170.06352	2.2
172.04272	100.0
173.04620	1.8
175.04254	1.0
180.04805	1.4
180.11122	0.7
182.08131	3.0
182.92131	0.7
197.07477	3.1
198.05847	6.4
206.08180	0.7
214.05333	10.4
215.08496	6.4
217.03793	0.7
237.02722	0.7
238.05283	0.7
244.06392	9.8
245.05276	0.8
248.09114	0.8
261.09067	17.3
266.10126	0.7
286.07590	1.2
302.12213	0.7
303.10138	2.6
316.08588	1.0
334.09534	4.7
341.11621	0.6
342.09857	0.6
359.12848	0.8
377.13803	8.9
423.14307	37.1
424.14676	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58679	1.1
56.96562	4.0
58.99867	1.7
69.03423	1.4
70.06572	1.6
71.57588	1.3
77.00911	2.4
84.08134	2.4
84.96040	1.4
85.02888	2.2
86.04511	1.3
94.99849	1.9
97.02866	2.7
98.97576	10.7
101.00893	8.6
113.00871	3.8
115.02435	3.0
116.98613	7.8
119.01921	45.8
129.03969	2.9
131.01906	28.8
131.05524	12.1
133.03468	10.1
134.99660	5.2
137.02962	8.6
143.01891	57.0
144.02031	2.9
145.03450	12.5
147.01408	3.4
147.05061	6.3
149.02983	6.7
149.06598	19.5
151.04535	1.7
153.01849	4.8
155.01884	30.2
155.05501	1.8
156.02669	3.5
157.03447	4.3
158.99646	3.7
159.05037	5.2
161.02946	94.0
163.04521	3.3
167.05606	1.9
171.01089	14.1
171.05061	3.0
172.01427	9.6
173.00648	1.7
173.02951	39.9
173.06586	37.5
174.06863	1.4
175.04539	3.8
177.00722	5.9
177.06116	8.3
179.04111	1.8
184.04579	5.8
185.03008	3.8
185.04924	2.5
185.06587	41.3
186.06715	1.6
187.08162	8.4
189.00780	2.1
189.02505	2.1
191.03941	1.6
191.07634	14.3
196.04529	3.1
197.06583	2.6
199.08211	3.5
201.06110	3.3
203.04021	8.7
203.05791	2.9
203.07617	28.9
205.09206	2.6
209.06593	2.1
215.07637	12.6
217.09206	4.0
221.05067	33.9
227.07651	5.5
231.03543	2.1
233.08746	5.1
237.02771	4.8
245.04955	2.4
245.08810	1.6
247.06583	1.3
257.05093	1.4
257.06195	1.4
257.08704	11.0
261.08234	3.7
263.06003	2.0
275.09747	50.8
291.07495	2.4
293.10794	100.0
294.10956	1.9
294.72983	1.2
301.04254	1.3
309.08633	9.7
316.12311	7.3
333.06577	1.8
335.11835	17.1
347.11819	2.7
373.09802	2.0
391.35757	1.7
405.12274	21.8
406.12698	1.8
423.07755	3.0
423.13394	65.4
424.13754	2.3
449.47513	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66169	4.0
52.79665	3.9
59.83488	3.2
67.05486	7.6
71.04991	3.8
71.33468	7.6
71.33807	3.6
79.05499	12.8
81.07042	10.5
85.02897	7.3
91.05485	4.8
93.07078	4.5
95.04956	4.5
97.02892	4.7
97.06513	4.7
99.04453	11.4
105.07037	6.0
107.04956	12.5
109.06531	9.0
109.10167	20.6
111.04458	7.5
119.08599	7.6
121.06516	4.9
133.10127	8.9
137.09619	44.5
143.08566	12.4
147.08054	16.5
161.09633	93.3
163.11185	4.6
165.09109	98.2
179.10732	6.6
189.09131	21.9
207.10176	100.0
208.51649	3.8
225.11171	21.7
327.80884	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	423.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35773	0.8
55.05217	0.8
55.05505	1.0
60.04507	2.7
61.02913	1.6
62.32469	0.8
67.05518	2.0
69.03436	1.0
70.06602	1.0
71.58172	1.5
75.92090	0.9
78.04697	1.0
79.05476	2.0
81.03411	1.3
81.07045	1.4
85.02952	1.2
85.94176	0.9
86.09701	27.6
91.05476	1.8
93.07080	0.9
95.04986	1.4
95.08627	1.2
97.02927	1.1
97.06548	1.0
103.05474	1.1
104.09502	1.0
105.07046	1.1
106.04134	1.0
107.04957	2.4
109.02838	1.0
109.10142	2.2
120.08106	10.4
121.10188	0.9
123.04463	2.2
127.03946	1.4
137.09615	1.4
139.07539	1.3
142.62100	0.8
145.06026	1.3
149.05995	1.3
151.03926	5.6
153.01913	1.1
166.08620	1.1
167.07039	63.2
175.03662	6.2
177.05363	1.2
184.08293	0.8
185.04196	1.6
201.12404	1.2
209.08096	2.2
216.03951	1.1
227.05316	5.9
227.09032	6.6
247.64262	1.0
258.14606	1.2
271.04153	8.4
337.09012	6.6
341.18307	0.9
379.09982	58.9
380.10349	2.5
410.40268	0.8
410.65781	1.0
423.08966	100.0
423.15906	3.7
424.09467	4.6
441.76108	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.7
56.96562	0.7
57.03431	0.5
61.02916	0.8
62.17891	0.4
69.03412	2.1
71.57388	0.5
74.00657	0.8
74.06065	0.6
81.03402	1.0
84.04498	0.7
84.08150	1.1
84.97498	0.5
85.02898	5.5
89.79622	0.4
97.02885	2.9
98.97573	2.0
99.04466	0.6
109.02887	0.7
109.15702	0.5
115.02137	2.8
116.98618	1.8
119.01897	2.4
120.01170	0.6
120.08128	0.8
121.06512	1.1
127.03891	1.3
131.01883	2.0
131.05527	0.7
133.03479	0.8
134.99663	1.3
135.63663	0.4
137.46939	0.4
139.03879	1.2
143.01633	23.8
145.03491	1.0
145.04959	1.1
146.99619	0.7
149.02951	0.7
149.06557	1.6
153.01814	2.1
155.01888	1.8
157.03493	0.6
158.99644	0.9
161.02966	7.2
161.51224	0.4
171.01111	100.0
172.01382	1.8
173.02974	3.3
173.06558	2.2
177.00714	1.1
177.05923	0.5
185.06584	3.0
187.08235	0.6
191.07721	0.7
203.03920	0.6
203.07686	2.3
215.07594	0.7
221.05119	1.8
226.98738	0.4
237.02812	0.8
243.03288	1.1
257.08762	0.6
260.05893	11.8
266.84714	0.4
275.09662	2.7
293.10776	5.9
302.07013	0.7
309.08630	1.4
335.11884	1.0
387.17197	0.5
405.12378	1.4
423.13461	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.9
55.01878	11.1
55.05512	26.1
56.96577	3.3
57.03445	15.0
57.07070	2.3
61.02925	7.7
65.03939	5.4
67.05505	100.0
68.28830	1.9
69.03426	10.2
69.07061	16.4
69.44163	4.4
69.44578	13.4
71.04996	7.4
73.02916	4.5
79.05493	48.4
81.03416	31.0
81.07056	49.1
83.04978	14.3
83.08620	22.3
85.02905	6.4
85.06551	3.9
87.04459	2.0
87.96816	1.8
91.03952	5.2
91.05479	59.0
93.07042	37.2
95.04969	67.7
95.08609	35.5
95.62243	2.0
97.02888	5.8
97.06550	5.4
97.10167	14.8
98.21503	3.8
102.24493	1.8
103.05447	2.1
105.03423	2.0
105.07027	32.2
107.04961	28.8
107.08595	21.6
109.02865	2.3
109.06538	12.9
109.10155	43.3
110.10549	2.1
111.08064	6.0
115.05463	4.8
117.07012	17.8
119.04950	4.5
119.08584	26.4
121.06526	25.8
121.10120	14.4
123.08097	11.0
123.11671	3.1
124.12182	1.9
125.09650	13.7
127.03906	2.1
128.06218	5.9
129.06992	18.3
131.04955	5.0
131.08559	25.4
133.06490	8.1
133.10138	17.6
135.08102	9.3
135.11681	5.8
137.06009	2.8
137.09607	9.4
139.11189	5.1
141.06999	3.8
142.07784	4.9
143.08553	11.6
145.06488	6.8
145.10104	14.8
147.08031	10.2
147.11676	11.1
149.09618	8.7
153.09103	2.2
155.08582	6.0
155.10703	2.8
157.06525	4.7
157.10130	16.4
157.59256	1.9
159.08089	5.6
159.11707	10.0
159.40901	2.2
161.09642	7.3
161.13327	2.6
163.11169	12.5
165.06897	2.2
167.08539	3.6
169.10202	5.2
171.08054	3.9
171.11699	6.9
173.09605	3.6
173.11745	10.7
173.13156	3.8
175.11200	13.6
177.12781	6.3
181.10161	5.2
183.11708	4.4
185.09647	5.1
185.13147	3.1
187.11192	4.5
189.09129	12.8
189.11223	8.0
193.12221	15.5
199.11186	5.2
199.12947	2.0
201.12772	3.7
203.10689	10.1
203.12785	10.0
203.14478	3.8
205.12299	3.5
213.12697	3.1
215.14409	2.5
217.12115	4.2
217.38573	2.2
219.13788	2.6
223.13252	5.6
223.62079	1.9
231.13861	3.5
245.15224	2.4
245.37158	2.2
249.14812	9.4
259.12729	2.8
263.16556	2.1
301.21640	8.6
311.20035	20.0
319.22678	2.6
329.21112	93.1
330.21310	5.2
331.14954	4.5
340.15335	11.4
341.21289	2.8
347.22171	11.6
385.23624	6.0
403.24823	47.4
404.24887	3.1
421.05478	7.7
421.26202	61.0
422.26208	4.2
425.20239	2.2
443.20914	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	421.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	1.8
58.50679	1.0
69.03426	1.5
70.06593	15.6
71.58774	1.5
76.02198	1.0
81.07061	2.1
81.67886	0.8
84.04500	4.9
85.02898	1.4
85.04837	1.1
93.07024	0.9
98.89565	0.8
98.97585	1.2
99.09967	0.9
102.05525	1.1
112.07605	12.7
116.07071	3.3
116.98600	1.9
120.08094	2.2
123.04417	1.7
135.04404	2.0
136.07553	1.4
137.05945	1.3
139.03857	0.9
140.07074	1.2
158.02666	1.6
158.08127	14.7
160.66830	0.8
163.03857	2.0
171.07930	2.5
172.05026	2.1
172.08659	7.2
173.09471	2.1
186.10123	0.9
187.07402	12.2
187.08905	1.5
188.08163	1.8
199.07431	7.8
200.08296	1.8
216.07706	6.2
216.10043	4.4
229.07147	1.0
237.02580	1.2
243.08772	56.0
244.09550	100.0
245.10019	4.5
255.65068	0.9
257.10403	2.5
270.33105	1.0
273.12646	1.9
274.13004	4.3
307.10608	2.8
333.00601	1.0
362.13571	2.1
377.14584	1.1
378.10425	1.1
378.15317	34.6
379.16092	39.5
421.17685	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	421.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.8
56.96556	6.3
58.06644	0.7
61.75440	0.8
65.77088	0.7
66.26550	0.7
67.05489	0.7
67.54984	0.8
68.99758	0.7
69.03397	1.0
69.07041	0.8
69.55290	0.8
69.55666	6.6
70.06591	99.1
71.06920	1.8
72.93901	0.7
79.01845	1.6
79.05490	1.1
81.03416	0.9
81.07087	0.8
84.04502	3.9
86.54389	0.8
86.70259	0.7
91.05480	2.0
93.07060	0.7
95.04982	0.9
95.08559	0.9
97.02889	1.3
103.05457	1.0
107.04980	1.3
109.02866	1.0
112.07604	80.6
116.06255	1.2
116.07092	21.7
120.08091	3.5
121.02901	1.0
121.08430	1.3
123.04436	2.6
125.02354	0.8
127.03902	3.3
127.04758	0.8
130.06592	0.9
131.08624	0.9
133.02815	0.8
135.04372	1.0
136.07555	3.6
137.02303	0.9
137.06000	1.8
137.07938	1.7
139.03906	3.4
139.65144	0.7
140.07066	7.1
143.03357	1.2
147.04410	10.1
148.04774	5.7
151.03877	1.3
153.01831	11.5
154.02223	0.9
158.08124	100.0
163.03911	2.7
164.07100	2.0
165.01839	0.9
167.07053	0.9
181.05052	1.6
184.00320	0.7
201.00682	1.5
205.04678	0.8
221.95824	0.8
237.00667	2.5
239.06526	1.2
242.58650	1.0
255.01889	1.2
257.04477	1.1
263.00650	1.9
267.05591	1.5
268.06946	1.5
274.13065	1.1
284.06522	1.2
285.07089	2.2
299.09143	4.6
300.09494	15.8
303.05014	3.5
304.05289	1.0
315.03348	2.3
316.03229	1.0
319.04440	0.8
324.03775	3.7
324.54068	2.4
333.04398	1.9
377.01468	1.2
395.02719	0.8
421.14896	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.3
56.96558	1.6
57.93397	1.1
60.73161	1.1
69.03410	2.1
69.07047	1.0
70.06579	3.4
71.57940	1.1
71.58307	1.7
72.08157	38.5
73.02894	1.3
81.03417	2.6
83.04988	1.6
85.02898	4.9
95.04947	1.4
97.02874	3.1
98.97559	1.1
105.82980	1.2
116.98582	2.1
119.04933	1.6
119.08573	1.7
123.04440	2.2
125.05943	1.2
127.03969	1.5
130.06525	14.1
132.04462	5.7
142.06592	2.2
147.04399	1.8
149.05904	1.3
151.03891	1.2
154.06546	1.6
157.07617	12.4
158.06015	10.4
158.90100	1.1
159.07843	1.6
159.09193	4.5
175.08707	11.7
182.06047	1.4
185.07167	3.4
212.07335	1.1
213.10234	1.8
226.08490	1.3
237.02930	1.9
241.11952	2.9
242.06822	1.2
259.08417	1.5
259.13016	5.9
274.15573	5.1
285.12332	7.8
286.11975	2.0
301.11850	1.4
302.15067	3.8
304.12924	8.2
322.14029	1.9
421.16794	100.0
422.17227	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	421.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75413	3.7
56.96557	25.1
57.03411	3.9
67.30149	3.7
69.03426	10.0
70.05209	19.1
84.96021	12.3
85.02895	7.3
97.02877	10.2
97.86562	3.6
98.97590	14.6
101.00883	15.5
103.02442	8.3
105.00401	5.1
110.97556	4.0
115.02419	8.2
116.98627	16.1
119.01917	62.1
127.02413	8.1
128.98572	7.4
129.33765	3.9
131.01892	30.7
133.03477	10.6
134.99678	10.5
137.02945	10.6
143.01880	10.4
145.03455	50.7
146.99611	5.9
149.03046	4.4
155.01877	17.3
156.02675	5.1
156.96518	4.4
157.03465	13.6
158.99704	4.5
159.01385	4.8
161.01335	5.7
161.02936	19.5
162.99396	7.0
163.04515	5.3
171.01538	4.1
171.05096	8.8
173.02998	43.7
174.97656	13.2
175.04601	6.0
177.00974	20.5
180.53072	4.3
180.96654	6.5
185.02933	15.6
186.99158	12.2
187.04498	6.2
187.53662	3.9
188.99191	6.2
189.00929	4.6
190.98845	5.5
191.02414	5.9
192.98665	9.8
194.99878	4.6
195.01970	5.6
197.02913	5.9
198.97685	14.6
201.00937	11.7
202.97189	4.4
203.02452	10.3
203.04105	20.2
204.98624	6.0
205.00343	11.1
207.00316	7.5
215.04147	8.1
216.98689	83.7
217.04091	6.4
217.98772	4.8
219.00316	4.3
219.02019	33.9
221.05081	79.4
222.05229	5.3
222.99579	5.1
227.02394	6.6
229.05653	7.5
231.00233	13.0
231.01976	11.4
233.03479	6.6
234.99492	22.7
235.01741	5.8
240.98755	6.7
243.02034	16.4
245.05319	6.0
246.99678	14.7
247.01575	16.9
247.06645	27.4
249.03319	8.2
258.99667	23.6
261.01041	6.3
261.03296	7.8
262.99225	7.6
265.00809	31.6
270.99411	18.1
273.01147	10.8
275.00650	12.4
277.00711	10.3
279.02301	7.1
289.00708	69.3
291.02362	4.2
295.01483	5.6
301.01044	10.5
301.04135	90.4
303.02127	5.9
307.01929	17.7
313.00394	4.3
317.01837	5.0
319.01938	20.2
319.05515	30.3
331.01709	31.3
337.02695	43.5
343.03818	7.7
348.50302	5.2
349.02835	24.1
360.99094	4.5
361.03198	19.5
373.02655	8.7
379.04031	100.0
380.04095	4.5
397.01041	3.6
397.05289	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
55.01867	1.9
67.05495	1.9
69.03428	2.6
70.88136	4.2
79.05484	4.7
81.03415	2.0
81.07052	100.0
81.72002	1.4
85.02906	10.1
87.00834	4.7
95.08606	9.3
97.02879	4.4
105.01861	8.4
109.02853	2.0
122.75610	1.5
127.03919	9.4
128.98203	1.4
137.13255	25.8
138.13560	1.7
145.04959	4.9
156.86415	1.6
159.02875	1.7
161.24617	1.6
311.67526	1.7
420.11343	1.6
425.11346	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97046	2.4
61.02928	3.9
69.03427	3.0
69.07084	3.7
70.21758	10.7
70.22164	4.8
79.05502	6.6
81.03416	3.7
81.07049	100.0
85.02890	8.9
87.00802	3.3
90.44734	2.5
95.08611	13.1
97.02899	4.2
103.50053	2.4
105.01846	7.4
109.02880	3.3
112.65521	2.8
125.86300	2.5
127.03935	8.6
137.13248	21.0
145.04922	5.6
253.86285	2.8
379.47278	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79797	0.6
53.03935	1.4
54.48001	0.6
55.05515	0.8
57.03419	0.8
57.07068	2.4
64.81974	0.6
67.05505	3.8
69.03421	2.5
69.07072	3.9
70.65260	2.3
73.42772	0.6
79.05498	8.1
81.03430	2.9
81.07055	100.0
82.07366	0.8
83.04984	0.8
85.02905	9.2
87.00810	3.5
95.08607	22.9
95.91071	0.7
97.02882	6.6
99.04452	1.0
105.01864	7.0
109.02881	2.6
109.10159	1.1
113.58878	0.6
113.84509	0.6
125.06046	0.7
127.03913	10.4
130.14558	0.6
137.02330	1.0
137.05997	0.7
137.13257	21.1
145.04956	7.0
159.02936	1.6
171.10303	0.7
179.54102	0.6
218.09879	0.6
231.04973	3.1
249.06166	0.9
274.77536	0.9
420.10907	0.8
433.09528	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	5.1
55.05483	0.8
56.05040	7.1
57.03419	1.3
58.99581	6.7
61.65720	0.6
68.04997	0.9
69.07072	0.8
69.79801	3.3
69.80220	1.2
72.04506	2.6
73.01127	1.7
74.00656	1.2
76.02226	11.4
79.05473	2.6
80.05008	0.7
81.07053	14.3
83.06088	1.3
84.04501	17.2
85.01126	3.6
86.00668	4.1
86.09676	0.7
86.99039	3.4
87.02684	4.0
88.02186	1.1
90.05552	5.9
94.06577	0.8
95.08589	2.4
96.08075	1.0
97.01083	1.4
97.06499	1.4
98.02372	1.2
98.06056	0.9
98.09089	1.1
98.09688	13.8
98.21404	1.0
99.08100	1.0
101.00614	0.7
104.01681	5.8
105.07021	1.1
110.09675	2.7
113.04213	5.1
114.03758	0.8
115.05759	1.4
116.01678	13.1
116.07086	2.8
118.99142	0.7
122.05946	0.8
122.09661	2.0
123.08055	0.7
123.10391	0.6
125.68774	0.6
126.05506	7.9
127.05796	1.2
129.06578	2.0
129.07404	0.8
130.05014	3.3
130.06853	2.7
139.05742	1.8
141.06570	0.8
142.03201	1.6
144.06520	3.3
153.01799	1.4
156.08408	16.7
157.06837	5.7
158.02702	28.0
159.07680	1.9
165.84825	0.7
170.11771	9.0
174.09499	7.0
176.03732	8.6
193.06427	6.8
210.11229	2.2
213.10403	1.0
230.08429	3.8
233.05956	1.6
255.11591	1.5
256.09982	1.8
273.12653	100.0
274.10562	0.9
274.13083	2.6
285.12766	0.9
313.12088	3.6
331.13095	4.7
402.16879	0.9
406.74484	0.7
420.18149	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.8
55.05502	1.3
56.05041	8.0
57.03432	3.1
58.99591	6.2
61.01189	0.8
68.05011	1.1
69.03438	4.2
69.07082	1.1
70.02930	0.9
70.06583	1.0
70.49951	3.0
70.95570	0.8
72.04521	2.7
73.01150	1.4
74.00670	1.5
76.02232	9.3
79.05500	1.7
81.07062	11.5
83.06090	1.3
84.04510	15.2
85.01128	2.2
85.02906	3.1
86.00661	3.2
86.99068	2.6
87.02699	3.3
87.04469	2.6
88.02184	1.2
90.05543	6.0
91.05470	6.1
95.08607	2.9
97.01141	2.2
97.02893	4.9
97.06544	1.7
98.06049	1.1
98.09699	14.1
99.05574	1.3
99.08125	1.0
104.01702	5.7
110.09694	2.0
113.04235	6.0
115.03954	5.7
115.05790	1.1
116.01686	10.9
116.07104	1.3
121.14936	0.9
122.09726	1.1
126.05505	7.7
127.03938	1.0
129.06601	3.2
130.05000	3.4
130.06874	2.1
131.60242	0.8
133.04979	6.0
137.06058	1.1
139.05751	1.5
141.06564	1.4
142.03224	1.1
144.06552	2.3
152.94426	0.8
156.08444	17.6
157.06828	6.5
158.02718	25.4
170.11787	7.5
174.09470	7.7
176.03763	6.6
185.03853	1.1
187.05460	1.2
193.06418	5.9
205.08684	1.1
210.11282	2.2
213.10622	1.3
215.04796	1.5
230.08475	3.4
233.05989	0.9
255.11493	1.2
256.10190	1.0
257.15076	2.0
258.15387	2.4
259.07208	0.9
265.77325	0.9
273.12683	100.0
274.13104	3.3
285.12677	1.7
313.12155	2.9
331.13278	3.9
402.16660	1.0
435.32434	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	1.6
60.04530	1.6
69.03404	1.3
70.06583	1.6
71.57486	1.3
71.57884	1.9
72.08143	1.6
81.03442	1.8
84.04509	1.9
85.02890	3.0
86.09705	2.0
87.00837	1.4
94.04188	1.2
96.53667	1.0
97.02878	1.9
105.01839	1.3
107.04939	1.5
109.02861	1.3
113.42127	1.0
115.12163	1.0
122.03640	3.9
126.05479	1.0
127.03924	2.5
136.06160	1.1
137.05972	100.0
138.06281	1.5
142.58475	1.1
143.05698	1.1
146.06065	1.2
153.01811	7.1
153.37128	1.2
159.09253	1.2
173.24654	1.0
180.32172	0.9
198.99271	1.4
208.97633	1.3
226.98650	13.0
230.98059	1.2
244.99774	5.0
248.99144	1.3
263.00787	2.0
273.12735	3.0
287.05487	3.7
288.05862	10.5
376.13034	3.0
378.99478	1.3
420.03668	1.5
420.12009	3.6
430.62482	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18722	2.2
53.03944	7.0
55.01881	2.9
67.05512	6.2
69.03421	6.6
70.58711	2.1
71.48056	4.5
73.10378	2.5
74.06078	3.8
79.05482	9.5
81.03414	8.3
81.07058	4.5
82.06570	5.5
85.02871	5.5
87.77010	2.7
91.03955	3.8
91.05480	9.8
93.03368	2.3
94.06558	2.8
95.04969	43.9
95.08597	2.6
96.94501	2.4
97.02908	4.8
97.06496	2.6
98.14953	2.2
103.05425	3.5
105.07030	5.6
107.04964	12.5
109.02888	3.1
109.06530	2.6
111.04462	2.5
115.05452	11.5
117.06998	17.3
119.08547	3.8
121.06528	3.3
123.04423	55.7
125.06010	7.4
127.03955	4.0
128.06194	2.6
129.06995	8.8
131.04936	5.0
131.08578	5.3
132.05742	4.2
137.06029	11.6
140.04697	14.8
141.05482	4.5
141.07010	5.1
143.04955	3.2
144.05653	3.8
145.06500	32.3
147.04453	7.2
147.11787	2.4
152.04764	3.8
153.05460	12.8
154.06233	4.5
155.05969	5.1
155.07037	24.4
156.05669	16.1
157.06522	10.2
158.07225	3.1
159.08061	9.6
160.05183	2.8
161.05963	4.8
165.05533	2.4
167.07037	72.7
167.08435	5.1
168.07764	8.9
169.04991	3.8
169.06381	3.6
171.07979	2.9
172.87741	2.3
173.05957	46.0
174.06726	4.1
175.03741	2.3
175.07578	4.5
177.05476	3.1
180.07893	2.7
181.05013	3.6
181.06444	4.4
182.09352	9.5
183.06534	67.6
183.08020	3.9
184.05243	5.3
184.07310	23.3
185.06018	2.6
186.06772	2.7
187.07504	6.8
189.09058	6.5
190.06253	29.9
190.07790	4.0
191.07010	4.3
191.08606	2.7
192.07788	6.0
193.08504	3.6
200.52402	2.5
202.06261	9.6
203.07018	13.7
205.06737	3.1
205.08578	39.0
206.09041	2.7
207.08156	2.9
208.08769	5.2
210.08881	13.9
211.07491	3.3
213.09146	4.5
215.06941	4.3
217.08589	100.0
218.07286	5.5
218.09332	16.8
219.08070	7.6
219.10110	5.8
220.10872	8.9
221.06030	2.7
226.06227	2.6
227.16443	3.1
230.09352	6.0
231.08125	3.3
233.09662	4.5
234.06700	4.6
234.08965	3.2
235.07520	4.3
235.09604	4.8
236.08371	3.4
236.10539	3.3
238.11946	9.5
241.08659	11.0
247.07652	5.0
248.08203	4.7
248.10463	12.1
249.09007	4.0
249.11221	3.9
249.48846	2.5
250.11739	4.5
251.10689	4.8
252.09520	3.5
261.09106	7.2
263.07159	5.8
264.07825	9.7
265.08496	4.5
269.08060	3.0
276.07822	3.6
277.08710	3.7
278.09305	4.6
279.10260	13.7
281.11777	3.2
293.08145	3.8
293.11688	6.5
294.08667	2.9
296.10251	2.8
299.08807	2.9
301.10696	2.7
306.08792	2.6
307.09595	19.4
308.10281	4.3
308.38452	2.9
309.07642	2.7
311.12845	5.7
321.11111	6.3
323.09012	3.5
329.10168	7.3
334.14124	3.2
338.11380	3.2
339.12164	16.0
344.12579	7.4
353.13736	3.7
356.12448	3.4
359.14957	4.0
370.13461	3.2
371.14886	50.7
372.15134	4.1
387.14322	8.8
402.16580	11.5
415.11661	2.5
420.17886	5.2
441.79797	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.5
55.01870	1.8
55.05505	2.4
56.96571	1.2
57.07067	1.4
60.04524	38.4
67.05495	1.8
69.03417	3.4
69.07061	6.4
69.88111	6.2
70.06586	4.8
71.04992	2.4
72.08147	2.9
76.05127	2.4
79.05482	1.3
81.03410	3.8
81.07049	4.3
82.06580	2.0
82.22772	1.0
84.04498	2.1
84.08171	1.2
85.02901	6.7
86.09705	98.4
87.00803	2.5
87.05589	13.0
88.04005	1.0
91.05461	1.7
93.07049	2.0
95.04971	1.2
96.05615	2.6
97.02892	3.4
97.06507	1.4
98.20699	1.1
98.97588	1.2
105.06583	1.9
107.04932	3.7
107.08538	1.8
109.02891	2.5
109.10120	1.6
110.09679	1.7
116.98592	1.3
120.08075	1.8
127.03923	3.3
128.07059	3.1
128.10703	11.4
132.10205	17.8
135.11685	3.3
136.07620	6.3
137.05931	1.4
139.03853	1.4
141.12698	4.2
145.04993	1.9
147.04436	1.9
149.02295	1.4
152.07021	2.6
153.01836	3.4
153.12747	9.3
158.02733	2.3
159.54111	1.1
161.05965	1.3
164.07030	7.2
171.13808	5.5
173.12857	100.0
174.13210	2.5
201.12347	25.6
219.13393	55.5
254.29999	1.3
255.06544	2.9
256.06940	2.2
257.07059	4.8
270.14423	1.7
273.12665	3.6
287.05524	3.7
287.13629	1.4
288.15518	7.1
293.09204	1.2
319.04453	3.2
329.06757	1.8
387.22168	5.0
401.23639	2.4
419.24942	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	419.191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05455	1.5
53.03943	2.0
55.01876	6.9
55.05494	4.6
56.95016	1.4
57.03396	1.3
59.04985	2.1
65.03930	2.2
67.05494	3.1
69.03425	1.8
69.07053	3.4
70.06612	1.7
71.03223	2.3
71.03537	2.4
71.04994	15.2
71.08620	1.3
73.06554	5.4
79.05492	8.1
81.03425	2.1
81.07058	26.1
83.08594	1.6
85.02914	8.2
85.10191	1.8
87.00840	2.3
90.09158	1.3
91.05464	4.7
93.07038	21.2
95.04967	4.4
95.08601	4.9
97.02901	3.3
97.06542	3.6
99.04476	1.5
103.05486	2.4
105.01864	3.2
105.07014	5.3
107.04939	4.4
107.08602	12.6
109.10181	1.9
111.08167	1.4
121.06512	2.8
123.04417	3.3
127.03918	3.1
131.04932	2.7
133.06514	3.9
135.11678	30.1
139.03941	2.0
143.05138	1.3
145.05028	1.7
145.06419	1.6
145.10075	1.5
147.22696	1.4
148.05251	1.7
149.02286	2.2
149.06023	1.9
149.07463	2.6
151.03844	2.6
153.01785	1.9
153.05476	2.2
153.12743	100.0
154.13039	2.8
161.06053	3.9
163.07549	2.3
167.07083	16.3
168.07697	2.7
173.05980	2.5
177.05431	7.6
178.04977	2.1
178.07695	1.6
181.04951	13.3
183.06525	4.0
187.07695	1.6
191.07039	7.7
197.06085	1.7
205.08635	3.1
209.08055	9.8
210.08827	1.8
219.10170	3.0
221.08153	2.4
225.05380	1.8
247.09633	1.6
271.05988	8.9
287.05524	2.3
317.26099	1.8
330.04922	1.5
389.15265	1.7
401.15955	2.3
419.16333	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37749	0.8
53.11067	0.7
55.05501	1.0
56.35626	0.8
57.03430	1.6
57.07064	1.1
59.04990	1.6
59.70165	0.8
61.02934	4.4
67.05533	0.7
69.03410	2.4
69.07064	1.7
69.22955	0.8
70.06604	1.3
70.59274	0.8
71.04985	3.5
71.08621	0.8
71.57188	1.2
72.08126	1.2
73.26215	0.7
79.05462	1.3
81.03433	1.9
81.04543	53.3
81.07069	6.6
83.06075	2.0
85.02918	5.1
86.09662	1.0
87.08080	1.3
95.06073	1.0
97.02885	1.5
99.05615	2.1
107.04941	1.0
109.02848	0.9
112.07519	1.0
116.98613	0.9
127.05044	49.7
137.10727	4.1
141.06541	1.4
147.04430	5.8
149.02330	1.6
153.01813	1.2
153.10266	1.1
163.12306	4.4
168.06573	2.1
179.11734	5.6
191.84914	0.9
193.85565	1.0
207.11234	4.3
207.96992	0.9
211.14369	7.4
225.12321	13.2
239.13885	5.1
257.14972	100.0
258.15274	3.4
284.06787	1.2
299.09116	7.8
331.05609	0.8
419.15222	2.6
419.20166	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	419.191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05455	1.5
53.03943	2.0
55.01876	6.9
55.05494	4.6
56.95016	1.4
57.03396	1.3
59.04985	2.1
65.03930	2.2
67.05494	3.1
69.03425	1.8
69.07053	3.4
70.06612	1.7
71.03223	2.3
71.03537	2.4
71.04994	15.2
71.08620	1.3
73.06554	5.4
79.05492	8.1
81.03425	2.1
81.07058	26.1
83.08594	1.6
85.02914	8.2
85.10191	1.8
87.00840	2.3
90.09158	1.3
91.05464	4.7
93.07038	21.2
95.04967	4.4
95.08601	4.9
97.02901	3.3
97.06542	3.6
99.04476	1.5
103.05486	2.4
105.01864	3.2
105.07014	5.3
107.04939	4.4
107.08602	12.6
109.10181	1.9
111.08167	1.4
121.06512	2.8
123.04417	3.3
127.03918	3.1
131.04932	2.7
133.06514	3.9
135.11678	30.1
139.03941	2.0
143.05138	1.3
145.05028	1.7
145.06419	1.6
145.10075	1.5
147.22696	1.4
148.05251	1.7
149.02286	2.2
149.06023	1.9
149.07463	2.6
151.03844	2.6
153.01785	1.9
153.05476	2.2
153.12743	100.0
154.13039	2.8
161.06053	3.9
163.07549	2.3
167.07083	16.3
168.07697	2.7
173.05980	2.5
177.05431	7.6
178.04977	2.1
178.07695	1.6
181.04951	13.3
183.06525	4.0
187.07695	1.6
191.07039	7.7
197.06085	1.7
205.08635	3.1
209.08055	9.8
210.08827	1.8
219.10170	3.0
221.08153	2.4
225.05380	1.8
247.09633	1.6
271.05988	8.9
287.05524	2.3
317.26099	1.8
330.04922	1.5
389.15265	1.7
401.15955	2.3
419.16333	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.17
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	59.2
57.25893	2.7
60.30576	2.0
65.03941	10.8
67.05502	7.2
69.03411	2.0
70.13484	4.8
70.13899	8.1
79.05501	8.8
81.03451	2.1
82.04204	5.1
85.02888	10.4
91.05504	5.9
91.20428	1.9
93.07040	4.1
95.04951	7.4
95.08567	2.0
97.06543	5.0
103.05453	18.2
105.07034	18.4
106.04200	3.9
107.04967	11.7
108.02117	3.6
110.03651	3.3
111.04446	3.8
115.05460	6.2
118.04189	3.5
121.06519	7.2
123.04441	9.0
124.05184	2.8
125.06018	4.7
129.07001	3.2
131.04945	12.0
131.08575	5.1
133.06523	13.3
134.03676	2.4
138.03108	3.9
141.07011	2.4
142.02574	2.6
144.05708	4.5
144.25885	2.1
145.06508	5.5
147.85699	2.1
148.05194	5.9
149.05986	20.4
153.05434	3.6
157.06444	2.7
159.04390	2.4
159.08086	8.3
161.06036	14.0
163.04018	2.3
163.07549	10.6
167.07047	71.0
167.08427	4.4
168.07350	5.0
169.07617	2.8
171.06535	10.2
173.06003	4.8
175.07632	2.7
177.05482	53.6
178.06055	2.0
181.04961	100.0
182.05219	2.8
183.06566	4.1
187.07553	5.4
190.86586	2.1
191.07021	41.3
193.08652	6.7
205.08595	12.4
209.06099	3.4
209.08080	89.2
215.07068	2.9
219.08173	3.1
219.10182	8.3
221.08235	3.5
235.07550	2.7
235.09814	4.5
244.70027	2.3
247.07387	2.8
247.09685	7.4
249.11279	8.2
265.10788	6.4
291.10083	2.8
293.07965	2.3
294.28290	2.1
307.09653	4.9
339.12207	3.1
356.12106	2.3
369.13416	5.8
389.15668	3.2
401.16043	9.8
419.16800	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	419.17
Annotation	Comazaphilone F
Peak:m/z	Relative Intensity
55.01872	59.2
57.25893	2.7
60.30576	2.0
65.03941	10.8
67.05502	7.2
69.03411	2.0
70.13484	4.8
70.13899	8.1
79.05501	8.8
81.03451	2.1
82.04204	5.1
85.02888	10.4
91.05504	5.9
91.20428	1.9
93.07040	4.1
95.04951	7.4
95.08567	2.0
97.06543	5.0
103.05453	18.2
105.07034	18.4
106.04200	3.9
107.04967	11.7
108.02117	3.6
110.03651	3.3
111.04446	3.8
115.05460	6.2
118.04189	3.5
121.06519	7.2
123.04441	9.0
124.05184	2.8
125.06018	4.7
129.07001	3.2
131.04945	12.0
131.08575	5.1
133.06523	13.3
134.03676	2.4
138.03108	3.9
141.07011	2.4
142.02574	2.6
144.05708	4.5
144.25885	2.1
145.06508	5.5
147.85699	2.1
148.05194	5.9
149.05986	20.4
153.05434	3.6
157.06444	2.7
159.04390	2.4
159.08086	8.3
161.06036	14.0
163.04018	2.3
163.07549	10.6
167.07047	71.0
167.08427	4.4
168.07350	5.0
169.07617	2.8
171.06535	10.2
173.06003	4.8
175.07632	2.7
177.05482	53.6
178.06055	2.0
181.04961	100.0
182.05219	2.8
183.06566	4.1
187.07553	5.4
190.86586	2.1
191.07021	41.3
193.08652	6.7
205.08595	12.4
209.06099	3.4
209.08080	89.2
215.07068	2.9
219.08173	3.1
219.10182	8.3
221.08235	3.5
235.07550	2.7
235.09814	4.5
244.70027	2.3
247.07387	2.8
247.09685	7.4
249.11279	8.2
265.10788	6.4
291.10083	2.8
293.07965	2.3
294.28290	2.1
307.09653	4.9
339.12207	3.1
356.12106	2.3
369.13416	5.8
389.15668	3.2
401.16043	9.8
419.16800	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	419.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.1
55.01876	7.9
55.05496	3.4
57.03423	1.0
57.72343	0.9
61.02928	0.9
65.03929	3.7
67.05487	4.0
67.95021	1.0
68.05011	1.8
68.94875	0.9
68.99805	0.9
69.03416	4.4
69.07064	1.8
71.04991	1.2
71.08620	1.2
71.58833	1.9
73.02917	1.6
73.06536	2.8
74.06895	1.3
79.05490	5.3
79.46811	1.0
81.03409	2.1
81.07047	3.0
82.06570	4.1
83.04960	1.4
83.06924	1.2
84.08137	1.4
85.02908	8.3
91.05501	4.7
93.07017	2.8
95.04966	4.5
95.08595	3.3
97.02873	2.7
97.06458	2.2
103.05470	6.0
105.07028	5.4
106.04181	1.2
107.04969	5.5
107.08578	3.6
109.06517	4.9
110.03674	1.2
111.04443	1.1
114.94816	0.8
115.05456	2.7
117.07028	1.7
119.08527	1.4
120.08913	1.3
121.06489	1.8
121.10115	1.7
123.04415	8.2
125.09589	1.1
127.03952	1.4
128.06261	1.4
129.06987	2.7
131.04921	6.0
131.08565	3.9
133.06448	2.8
133.10110	1.4
135.04408	2.7
137.02306	1.8
137.05991	2.6
139.03850	2.4
140.04668	1.8
141.06978	1.6
144.05687	2.9
145.06505	4.3
147.04443	1.7
148.05196	3.0
149.05984	3.7
151.03889	1.1
153.01825	5.6
153.05432	1.2
157.06485	1.7
159.08040	4.9
161.06012	5.1
162.13606	1.3
163.03853	1.7
163.07520	3.4
165.05490	1.1
165.12836	1.3
167.07037	24.4
168.07404	2.2
170.07155	1.2
171.06567	1.4
171.08029	1.3
173.05972	2.2
174.12628	1.0
175.12950	1.1
177.05452	9.4
178.07843	1.0
181.04945	19.4
181.08379	1.4
182.05345	1.1
183.06549	9.4
187.07549	5.5
189.09116	1.1
189.15012	0.8
191.07027	15.0
191.08572	1.7
193.08598	3.6
199.07346	0.9
201.05424	1.0
202.07858	1.1
203.06966	1.1
204.07790	1.3
205.08607	3.1
206.05696	1.0
209.08075	9.5
217.08447	1.5
219.08096	2.0
219.10150	6.9
220.17024	1.1
221.08061	2.4
231.10062	1.9
238.18001	3.5
239.18274	7.6
247.07455	1.1
247.09709	1.6
248.08301	1.7
249.09001	1.1
249.11224	17.8
257.19339	1.6
259.07764	1.0
263.06979	1.1
264.07794	1.9
276.07730	1.2
277.08530	1.8
279.10031	1.6
287.05490	100.0
288.05817	4.7
291.10132	1.7
299.05737	1.4
307.09695	2.3
308.10245	1.6
330.10837	2.4
369.13370	7.9
383.14798	1.7
389.15561	2.1
401.16034	8.0
419.16196	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.17
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03554	1.0
55.01854	1.9
56.96556	1.3
57.07102	1.2
67.05506	2.0
70.12642	5.8
71.08627	1.5
79.05494	2.5
80.92458	1.0
81.03429	1.9
81.07053	5.6
82.70433	1.1
83.43381	1.2
84.08201	1.1
90.26961	1.1
91.05476	62.9
94.61684	1.1
95.04998	1.6
95.08588	1.9
97.87958	1.1
98.18864	1.0
103.05441	2.3
105.07030	23.7
107.04944	2.3
115.05450	25.3
117.06988	1.7
121.02875	1.4
121.06494	1.9
123.04440	6.9
129.07004	2.9
131.04901	1.6
133.06505	2.7
137.02388	1.8
137.05951	4.1
139.03920	6.8
149.02373	2.2
149.05984	1.5
151.03876	2.4
153.01825	1.3
153.05399	1.3
157.91534	1.2
161.05977	8.2
165.01875	1.8
167.07053	5.5
168.07376	3.6
169.07516	1.6
173.85815	1.1
179.08546	6.3
181.04968	1.7
181.06487	1.6
183.02953	1.4
183.05382	1.5
196.08858	1.8
207.06383	1.9
207.08125	1.7
208.08826	2.6
211.11290	2.0
224.08365	4.1
237.09001	1.0
239.10663	50.9
241.04823	1.1
242.05504	1.0
251.09129	2.4
257.11716	100.0
258.12228	2.6
262.68823	1.3
287.05554	2.6
301.10550	1.6
315.04858	1.4
329.10187	1.9
357.09631	3.4
375.10803	1.4
419.15982	1.9
419.30920	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	419.1335
Annotation	Pinocembrin 5-O-glucoside
Peak:m/z	Relative Intensity
55.01863	1.4
55.05499	1.1
57.07050	1.2
62.49303	0.7
67.05511	1.5
68.99805	1.1
69.03419	1.0
69.07069	0.9
69.61951	1.0
70.00043	3.6
70.00452	1.4
74.12616	0.9
79.05481	2.5
81.07046	2.2
82.73786	0.9
85.00172	0.7
85.02897	2.5
86.87622	0.8
88.35503	0.8
91.05474	2.7
95.04945	1.4
95.08595	1.7
97.02879	1.5
98.21447	1.0
103.05458	9.7
105.07036	1.9
107.04967	1.9
107.08614	1.7
117.06991	1.0
123.04432	2.3
127.11237	0.8
131.04926	27.7
131.08578	1.1
133.10114	1.2
135.11629	1.0
145.06441	1.1
147.07999	0.9
149.05922	0.9
151.03842	1.8
151.07437	0.8
153.01826	50.4
158.42299	0.9
167.07072	6.6
169.07536	1.4
171.02869	3.3
173.06006	2.4
174.06503	0.8
177.05440	1.6
177.58482	0.9
179.03407	1.3
181.04918	2.8
191.07008	2.8
195.02881	1.0
209.08031	2.4
211.75146	0.9
215.07042	1.3
217.08490	1.0
247.09758	1.0
257.08087	100.0
258.08417	4.8
265.10788	1.1
299.09024	1.0
369.13428	1.0
389.15338	1.0
401.15973	1.2
419.16479	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	13.5
55.01863	12.4
57.03422	8.9
61.02918	9.0
65.03926	6.0
68.99774	11.8
69.03428	36.4
70.38074	12.3
71.04993	5.5
73.02899	13.4
74.06077	3.3
79.05485	4.8
81.03406	39.8
84.04484	4.3
85.02904	100.0
87.00832	39.0
91.03927	5.6
95.04937	3.3
97.02890	40.9
99.04435	13.5
103.03940	5.4
105.01885	21.6
107.04935	22.7
109.02869	41.9
111.04440	23.9
117.01849	4.1
122.38293	2.9
127.03915	56.4
129.01836	9.0
135.04398	8.0
137.05922	3.4
139.03911	47.4
145.03998	3.5
145.04979	24.5
147.02910	6.6
149.02385	4.3
149.05956	3.4
153.05457	4.3
159.02893	18.3
159.07607	4.1
163.03908	29.3
171.06529	41.3
181.05013	17.8
189.03967	5.2
195.06551	35.4
205.04936	4.7
207.06554	7.0
213.03699	2.9
213.07509	20.9
231.04933	4.2
233.07973	6.3
237.07541	14.2
261.07672	19.2
272.99692	3.3
279.08612	22.1
287.05481	5.9
303.80737	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	419.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	15.3
55.01867	13.9
56.65969	3.0
57.03424	10.1
61.02930	13.5
65.03931	5.8
67.05484	3.3
68.99784	10.5
69.03424	36.5
70.06594	2.9
70.18133	4.0
70.18538	7.6
71.04996	8.2
73.02908	10.9
74.06075	2.3
79.05476	3.1
81.03416	49.8
85.02901	100.0
86.09712	6.0
87.00826	50.5
97.02891	43.3
98.75033	2.4
99.04453	16.1
102.05574	3.4
103.03922	7.9
105.01860	27.9
107.04962	26.8
109.02869	42.0
111.04439	28.9
117.01881	4.9
121.06413	2.7
125.05954	4.2
127.03909	63.8
127.04810	4.1
129.01862	5.8
135.04410	12.8
139.03888	51.6
145.04947	26.3
147.02899	6.1
147.04494	2.9
149.02379	6.8
153.01848	4.1
153.05455	5.5
159.02904	26.7
163.03915	34.7
169.05049	4.0
171.06514	59.7
177.05463	6.1
180.68091	2.5
181.04997	16.5
189.03946	6.9
195.06526	32.0
205.04857	5.5
205.85376	3.0
207.06491	4.7
209.08078	4.7
213.07579	18.4
218.05881	2.8
222.05183	5.5
231.04971	6.7
233.08121	5.0
237.07573	21.6
261.07614	15.4
279.08649	19.8
287.05481	7.2
291.50696	2.7
328.72171	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	419.0971
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
55.01867	1.0
55.05489	0.5
56.96547	0.4
57.03416	1.0
65.03886	0.3
67.01860	0.6
67.05484	0.9
68.99781	0.5
70.06561	0.8
70.71983	0.3
71.08638	0.5
71.58315	0.5
72.08148	0.4
73.02900	1.7
79.05474	1.0
81.03396	0.4
81.07024	1.0
82.38639	0.3
85.02888	0.5
86.09695	0.8
86.95402	0.4
87.50231	0.4
91.05486	1.0
93.07049	0.9
95.04954	0.6
95.08578	0.7
97.02879	0.8
105.06998	0.9
107.04940	0.8
107.08582	0.5
109.02872	0.5
119.08555	0.5
120.06354	0.3
120.08109	0.7
123.04420	0.9
127.03950	0.5
129.07007	0.4
135.04382	1.5
135.11678	0.4
137.02318	0.8
137.06007	0.5
145.10130	0.6
149.02313	0.5
153.01808	5.5
161.02394	0.6
161.05980	0.5
167.06998	1.5
171.02892	0.7
177.05394	0.4
181.04987	0.7
183.06538	0.6
209.08205	0.5
213.05467	0.4
240.38841	0.4
241.05005	0.4
249.11189	0.5
269.04422	0.5
287.05481	100.0
288.05844	3.6
342.92151	0.4
419.13147	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22824	1.2
51.64952	1.0
53.03938	1.3
54.78079	1.3
55.01867	3.0
55.05488	1.2
57.03423	3.8
57.07065	2.5
67.05509	1.6
68.99803	1.3
69.03417	4.0
70.62794	4.0
73.02897	2.4
79.05500	1.4
81.03429	2.7
81.07042	2.1
85.02891	3.2
91.05489	1.8
95.08594	2.0
97.02882	3.0
97.06506	2.2
105.07014	2.2
107.04988	1.5
107.08561	2.3
109.02872	1.6
121.02855	4.7
127.03912	3.6
135.11635	1.7
137.02342	1.3
145.10170	1.5
147.04359	1.1
153.01833	5.6
153.12798	6.9
157.10109	1.3
167.07053	3.0
177.05466	2.0
181.04874	1.7
213.05521	1.7
241.04755	1.3
249.11292	2.4
258.05219	1.2
287.05499	100.0
288.05957	2.1
337.07242	1.2
348.43158	1.3
419.32660	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.3
55.01864	10.7
55.05512	27.9
56.05017	3.2
57.03436	7.4
61.02921	9.0
61.53979	3.9
62.69551	4.1
65.03938	6.6
67.05505	20.5
68.05017	16.2
69.03421	33.1
69.07069	22.8
69.58044	3.5
71.38670	8.5
73.02902	5.7
73.06554	36.5
79.05493	15.5
81.03411	11.8
81.07047	15.5
82.06575	70.3
83.04991	6.0
83.08614	10.1
84.08107	4.5
85.02904	42.3
85.06541	9.3
87.04469	6.7
88.07601	5.5
91.05468	10.8
93.07029	11.5
94.06559	8.6
95.04950	5.8
95.08614	16.7
96.08131	4.8
97.02885	18.0
99.04487	4.0
105.07018	24.0
107.04945	6.4
107.08595	54.7
108.08096	5.8
109.02880	6.0
109.06514	38.6
109.10168	7.3
112.07579	6.0
117.06982	5.9
119.08582	16.4
120.08077	9.6
121.10145	15.3
122.09721	8.2
123.04433	8.7
123.08089	8.4
123.11604	4.5
124.07644	6.0
124.11299	5.0
125.09596	7.5
127.03945	14.6
131.08533	4.4
132.08107	6.8
133.10143	15.9
134.09689	10.8
136.11250	9.3
137.09650	6.0
138.09174	9.2
142.08621	6.6
145.04999	7.8
145.06488	6.1
145.10167	5.0
146.06827	5.5
146.09677	10.9
147.10547	6.3
147.11606	17.6
148.05339	3.6
148.11253	24.7
148.12289	5.2
149.13223	10.3
150.09149	10.9
152.10684	6.7
156.10236	11.7
158.09631	5.4
159.10448	3.8
160.11201	8.7
161.13257	5.9
164.10686	7.1
164.14311	8.7
165.12762	10.5
166.12247	16.7
167.07036	100.0
168.07378	56.5
171.11691	5.4
173.05980	11.0
173.11967	5.1
174.06384	13.8
174.12756	19.9
177.05472	5.7
181.04955	31.6
182.05322	13.9
182.11786	6.7
188.14291	18.7
189.15088	7.5
191.14305	5.1
204.51987	3.6
205.08507	6.4
206.15352	17.9
207.14563	4.5
209.08090	7.0
220.16949	23.9
233.08102	3.8
234.08400	4.9
238.18030	98.9
249.11263	7.7
256.19104	19.4
287.05383	6.0
354.48425	3.5
388.14737	16.1
401.16061	4.6
418.15744	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.3
57.03436	4.2
57.97112	0.8
61.02921	1.6
67.05499	1.2
69.03429	2.3
69.07068	38.2
70.06600	5.7
70.73427	1.9
70.73759	1.8
71.01357	6.6
72.08191	0.9
73.02915	9.6
81.03402	1.3
85.02909	16.6
86.09632	1.0
95.01335	1.5
95.04984	2.8
97.02895	4.5
97.06548	3.8
99.00821	2.7
101.02393	1.1
110.50073	0.8
112.07626	6.5
113.02389	4.5
123.04439	1.9
131.03407	5.8
140.07063	46.7
141.01828	3.6
141.05493	2.0
147.04395	0.9
153.01819	2.1
159.02907	2.4
168.06564	100.0
169.06940	2.0
215.05525	1.1
242.10263	13.5
250.12930	0.9
254.22316	0.8
284.11246	1.5
418.13339	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	418.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	2.5
52.19659	1.5
53.03944	6.2
55.01872	3.8
55.05512	4.9
56.96574	1.4
57.03434	1.8
57.07064	2.0
61.02909	3.4
65.03941	2.3
66.04278	1.5
67.05499	4.2
69.03432	14.5
69.07059	4.0
69.85699	3.5
69.86111	5.4
71.04981	4.3
73.02923	3.4
78.04660	1.6
79.05059	2.0
79.05492	21.4
81.03419	11.8
81.07047	14.2
83.04970	3.0
85.02903	41.3
85.06543	23.1
87.00836	17.1
90.63068	1.6
91.05466	25.3
93.07042	93.0
94.07375	1.8
95.04965	9.7
95.08587	4.7
97.02888	22.6
98.20850	2.2
98.97559	2.0
99.04440	6.4
105.01870	24.1
105.04519	2.1
105.07035	7.0
107.04960	3.2
107.08594	100.0
108.04472	1.9
108.08945	3.0
109.02869	16.1
109.06506	4.3
109.10167	4.1
113.02409	2.0
115.03938	1.6
117.01878	1.5
117.67573	1.6
119.08600	1.9
123.04413	2.5
123.11675	2.2
127.03915	38.2
135.11687	53.6
137.02345	1.9
137.09631	1.9
137.13216	2.7
138.79289	1.5
138.99760	1.5
145.04968	19.4
145.06473	3.7
151.03822	2.5
153.01830	1.8
159.02853	9.0
167.07030	31.6
168.07372	21.5
173.05995	4.2
174.06357	2.5
181.04965	10.4
182.05301	9.4
192.07344	1.7
213.03712	2.4
216.74654	1.5
231.05008	12.0
233.08032	2.4
241.04964	5.6
242.05740	2.9
249.06053	3.9
270.05145	3.5
333.12320	2.2
348.83981	1.8
388.14737	6.6
395.71857	1.7
418.15686	10.0
419.11084	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	417.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.9
55.01870	6.7
55.05508	43.6
57.03437	30.1
57.07074	23.3
59.04983	1.8
65.03931	1.9
67.05505	57.8
69.03440	2.6
69.07066	76.3
69.66209	13.1
71.04977	5.0
71.08630	15.5
73.06551	3.0
75.04470	7.5
76.52917	1.5
79.05486	25.9
81.07058	73.1
83.04957	4.7
83.08617	51.8
85.06535	2.9
85.10185	11.1
91.05489	10.0
93.07043	39.7
95.04983	1.8
95.08603	59.0
97.06530	27.0
97.10168	26.2
97.88013	1.7
98.20819	2.2
99.08098	2.6
101.05981	2.7
101.07970	1.7
105.07034	5.5
107.08595	30.4
109.06538	2.0
109.10145	39.5
111.08066	14.3
111.11721	6.3
113.06030	4.2
113.09659	2.4
115.07565	4.2
119.08597	6.6
121.10145	36.7
123.11713	19.6
125.09633	11.7
125.13258	1.6
129.09106	4.0
131.07027	4.1
131.08528	2.7
133.10109	10.0
135.11682	32.9
137.13231	4.0
139.11166	11.7
145.10107	5.1
147.11694	2.3
149.13239	21.1
151.11214	3.7
153.12761	8.8
157.12216	3.7
159.11690	2.0
163.14813	6.3
167.07019	4.0
167.14322	5.0
171.13818	2.9
185.15297	2.8
196.43845	1.8
205.19492	27.4
206.90886	1.7
215.17964	6.6
223.20544	25.7
233.19077	6.1
241.21544	2.6
251.20006	16.7
257.85123	1.6
269.21091	3.3
287.22153	100.0
288.22427	2.4
325.23761	31.0
343.24777	41.8
344.24921	2.0
399.27469	13.7
417.29153	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22774	1.8
54.50324	1.5
55.05512	11.0
57.03429	9.7
57.07069	3.7
59.31729	1.8
65.03951	2.6
67.05506	59.9
69.07075	10.3
69.87171	10.4
71.08659	2.3
79.05486	18.0
81.03401	2.7
81.07055	63.4
83.08614	7.7
91.05476	11.1
92.05798	2.3
93.07030	16.4
95.08601	62.1
97.06511	5.1
97.10175	5.9
98.20838	3.2
98.98466	95.7
99.08083	3.4
105.07016	7.0
107.08560	12.0
107.73215	2.1
109.10153	32.8
111.08089	4.8
111.11768	1.8
113.09644	2.6
116.99488	1.9
119.08564	8.3
121.10127	15.5
123.11719	9.6
125.09658	2.2
130.29207	1.8
133.10121	8.1
135.11665	7.9
137.13264	6.8
147.11671	5.1
149.13263	7.9
151.14813	6.2
155.01039	100.0
161.13271	7.3
163.14865	5.4
165.16348	3.7
171.36340	1.8
175.14833	3.1
189.16422	4.3
245.22664	19.4
263.23709	49.9
349.43173	2.2
399.72006	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	13.0
55.01861	12.5
55.05505	24.2
57.03422	7.7
59.47176	2.8
60.04524	3.9
61.02915	10.2
65.27360	3.8
67.05517	6.3
68.87905	3.5
68.99767	5.4
69.03423	53.3
69.07063	8.1
70.06587	41.9
71.04995	45.2
71.33046	9.6
72.08155	26.9
73.02922	10.0
74.06061	5.1
79.05499	11.0
81.03413	57.2
81.07043	12.2
83.04979	51.5
84.04508	6.9
84.08148	5.2
85.02902	90.1
85.78230	3.1
86.09703	45.8
87.00830	38.5
91.18378	3.5
93.07040	5.3
95.04969	7.4
95.08608	6.5
97.02899	32.0
97.06514	5.7
99.04466	20.7
105.01849	25.5
105.07039	4.8
107.04942	4.7
107.08591	12.9
109.02876	54.0
109.06507	15.2
109.10172	17.7
109.41181	3.0
110.07148	3.3
113.05975	4.4
115.03935	3.8
117.01841	4.6
118.84892	3.0
119.08606	5.0
120.08179	3.9
121.02869	3.2
121.10072	3.4
122.06028	7.5
123.04459	3.6
123.11682	12.0
127.03912	73.6
129.01831	3.7
129.10204	5.9
130.06564	4.6
131.07076	7.9
132.10187	4.1
133.10115	3.8
137.05870	3.5
143.11708	5.3
145.04947	24.6
149.05902	4.2
151.11180	100.0
159.02859	23.4
165.09079	4.0
169.12202	29.6
174.31741	3.3
185.09241	4.0
187.10762	5.3
189.04004	3.9
190.04991	5.9
197.12799	5.3
201.12212	4.7
203.13922	4.2
213.03993	3.6
231.04915	7.1
251.17613	3.6
394.25406	3.4
399.22339	3.6
417.23495	3.8
444.09366	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	417.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01884	0.6
56.75927	0.6
56.93633	0.4
58.99400	0.4
63.23867	0.5
65.03926	1.9
67.05487	1.9
71.58126	0.7
78.04713	3.0
78.11926	0.5
79.05495	2.5
80.98545	0.5
81.03439	0.6
82.04179	1.0
85.02891	1.7
91.05452	1.6
95.04951	1.9
95.08594	0.9
97.02881	0.5
97.06535	0.9
100.60891	0.5
103.05448	3.4
105.07003	0.9
106.04162	1.6
107.04937	3.9
109.02848	0.6
110.03674	1.2
115.05462	3.6
117.07014	4.7
119.08534	0.5
119.85648	0.4
121.06543	0.5
123.04424	9.0
124.05219	3.2
125.06008	0.9
127.05426	1.0
131.04912	1.3
134.03612	0.6
137.02271	0.5
137.05971	0.8
138.03105	0.6
143.04955	0.6
145.06479	9.5
148.05173	1.2
151.03914	1.8
152.04716	2.5
155.06059	2.4
161.05974	0.6
163.07509	1.9
163.95251	0.5
167.07036	100.0
168.07356	1.5
171.06503	1.9
172.05247	0.5
173.06003	14.7
175.07487	0.6
179.19908	0.5
181.04945	32.9
182.05318	0.9
190.06273	0.6
191.07010	5.7
195.06491	0.5
195.81320	0.5
201.05406	0.7
205.08568	2.3
233.08047	8.4
235.09642	3.9
329.10260	0.7
387.14389	12.8
417.15430	20.7
418.15652	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.2
54.84319	0.4
55.01884	0.9
55.05520	0.9
57.07077	1.0
65.03931	3.1
67.05496	2.5
69.03430	0.9
69.07075	1.4
70.84175	1.1
70.84529	0.6
78.04716	2.8
79.05491	4.3
81.03444	0.5
81.07059	2.5
82.04195	0.9
83.04999	0.8
85.02912	2.1
91.05460	2.6
93.07055	0.8
94.04208	0.4
95.04967	2.7
95.08631	1.1
97.02853	0.6
97.06537	1.4
103.05482	2.5
105.03402	0.6
105.07039	1.7
106.04179	2.0
107.04961	6.1
107.08606	1.0
109.02899	0.6
109.06477	0.7
109.10135	0.9
110.03634	1.6
111.04467	1.4
115.05463	4.1
117.07032	5.6
118.04150	0.7
119.08581	1.0
121.10118	0.9
122.03663	0.9
123.04437	8.4
123.08019	0.6
124.05233	3.8
125.05991	1.7
131.04912	2.1
133.06462	0.5
133.10127	1.0
134.03592	0.9
137.05960	3.5
138.03093	1.1
139.03935	1.0
142.02597	0.8
145.06483	9.3
147.07957	0.5
148.05226	1.1
149.05952	0.8
151.03964	2.3
151.07446	0.5
152.04694	2.2
155.06013	2.0
159.08049	0.6
161.06033	1.1
163.07536	2.3
167.07042	100.0
168.07414	2.1
171.05235	0.7
171.06491	3.4
172.05266	0.5
173.05978	14.4
175.07556	0.5
180.78375	0.5
181.04962	41.3
182.05196	0.8
191.07019	6.3
195.06476	1.4
201.05568	1.0
203.06999	0.5
205.08578	3.3
207.06508	0.5
219.10101	0.6
221.08005	0.5
233.08076	9.0
235.09685	4.0
237.18439	1.0
247.60374	0.6
255.06065	0.5
264.72174	0.6
267.10104	0.6
280.59714	0.5
325.10541	1.4
339.12131	0.7
355.11417	0.5
357.13351	0.7
381.13177	1.5
387.14371	12.3
399.14203	1.3
417.15283	21.8
418.15710	0.9
443.23480	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1542
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
55.01867	0.6
65.03929	2.1
67.05488	1.1
67.55443	0.5
69.03394	0.6
69.42353	2.3
69.42790	2.3
73.97437	0.4
78.04701	3.0
79.05479	2.2
81.07040	0.6
82.04206	0.5
85.02901	1.6
91.05470	1.7
93.03418	0.6
93.07056	0.5
95.04955	1.6
97.06518	0.6
98.20774	1.0
103.05477	3.6
106.04185	1.7
107.04959	3.0
109.02895	0.5
110.03632	1.1
113.09771	0.4
115.04754	0.5
115.05462	3.3
117.07012	5.4
117.15965	0.4
123.04430	6.5
124.05211	2.9
125.06048	0.6
127.05445	0.7
129.07027	0.6
131.04942	2.3
133.06557	0.5
137.05981	0.9
138.03139	0.9
142.02547	0.9
145.06474	8.5
147.08072	0.7
148.05202	0.9
150.73154	0.5
151.03899	2.0
152.04672	2.1
153.05386	0.5
155.06024	2.5
163.07515	1.5
163.63666	0.5
167.07034	100.0
168.07428	1.5
171.06531	1.6
173.05977	15.7
175.07576	0.9
181.04953	35.8
182.05312	1.3
191.07019	6.8
195.06560	0.6
201.05476	1.1
205.08624	3.3
217.08507	0.6
233.08051	8.5
235.09627	3.7
241.08458	0.8
255.10197	0.8
301.10873	0.5
329.10089	0.8
381.13513	0.6
387.14395	14.8
388.14508	0.6
399.14648	0.6
417.15408	21.9
418.15750	1.1
426.82895	0.6
431.12640	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13550	0.4
53.03928	0.8
58.27758	0.4
65.03931	2.3
67.05492	1.3
70.19341	1.3
70.19759	1.6
77.03899	0.5
78.04708	2.5
79.05491	3.3
81.07027	0.9
82.04177	0.8
85.02882	1.6
91.05453	1.3
93.07059	0.8
95.04952	1.9
97.06521	1.1
98.21456	0.5
103.05451	2.6
106.04163	1.8
107.04940	4.0
107.08619	0.6
108.02032	0.6
110.03648	1.6
111.04404	1.0
115.05465	3.4
117.07017	5.5
123.04427	7.3
124.05245	3.1
125.06003	0.8
127.05408	0.8
131.04921	1.9
133.06540	0.9
134.03566	0.7
137.06006	0.6
138.03120	0.6
139.03960	0.5
142.02678	0.7
143.04881	0.5
144.05672	0.4
145.06488	9.2
147.08067	0.6
148.05244	0.8
149.05719	0.5
149.07587	0.6
151.03918	1.3
152.04709	2.0
153.01878	0.5
153.05518	0.7
155.06001	2.5
161.06023	0.6
163.07565	1.6
165.32927	0.4
167.07036	100.0
168.07391	1.8
171.06516	2.2
171.07927	0.5
171.17702	0.5
173.05983	15.3
175.07559	0.7
181.04955	30.9
182.05283	0.8
191.07060	4.6
193.93123	0.5
195.06593	0.6
201.05496	0.8
205.08669	3.1
233.08080	7.3
235.09642	3.5
329.10269	1.1
387.14371	11.6
388.14008	0.7
399.14328	0.8
417.15442	19.8
418.16058	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1544
Annotation	Comazaphilone E
Peak:m/z	Relative Intensity
51.02380	0.4
53.03939	0.7
60.62421	0.4
65.03937	2.9
67.05487	1.3
69.03413	0.8
70.03395	2.4
74.37465	0.4
78.04719	2.8
79.05492	2.6
81.03392	0.4
81.07050	1.1
84.08134	1.1
85.02885	1.9
91.05453	1.8
93.03387	0.6
95.04950	1.9
97.06551	0.8
98.21513	0.5
103.05477	4.6
105.03426	0.6
105.07020	1.3
105.98770	0.5
106.04169	1.6
107.04961	4.4
108.02084	0.5
110.03662	1.3
111.04460	0.5
115.05446	4.1
117.07011	5.7
118.04141	0.9
119.04887	0.6
119.08569	0.6
122.03649	0.6
123.00758	0.6
123.04426	8.6
124.05222	3.4
125.05971	0.9
125.80431	0.4
127.05442	1.5
131.04907	2.2
133.06464	0.5
137.05876	0.6
138.03113	0.9
142.02614	1.1
143.04982	0.5
145.06483	9.3
147.08061	0.8
148.05182	2.5
149.05969	0.5
151.03900	0.9
152.04640	1.6
155.06039	2.7
161.06035	1.0
163.07520	2.4
167.07037	100.0
168.07414	2.1
171.06528	2.3
173.05975	14.6
175.07518	1.0
181.04958	34.0
182.05310	1.0
191.07025	8.7
191.08597	0.9
193.08566	0.7
195.06546	1.0
201.05473	1.1
205.08635	3.3
207.06458	0.5
219.10162	1.0
233.08112	7.9
235.09607	3.0
239.70439	0.5
256.29770	0.6
267.06619	1.0
279.06595	0.6
281.07925	0.5
285.07608	0.5
297.07718	0.9
325.10522	0.5
345.12933	0.5
355.11899	0.5
362.32605	0.5
387.14395	11.1
399.14325	0.7
417.15469	17.8
417.20523	0.9
418.15805	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1543
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
51.58549	0.3
53.03928	0.5
54.28131	0.3
54.54289	0.3
55.01862	0.8
55.42914	0.3
61.48182	0.3
61.61940	0.3
63.35827	0.3
65.03943	1.6
67.05496	0.8
69.03419	0.5
70.93343	0.9
78.04708	3.1
79.05496	1.9
81.03371	0.6
81.07028	0.7
82.04182	0.9
84.08154	0.8
85.02911	1.8
91.05486	1.6
92.87410	0.3
93.03375	0.7
95.04967	1.6
96.05752	0.3
97.02873	0.3
97.06532	0.4
103.05465	1.4
103.88005	0.3
105.03429	0.5
106.04155	1.1
107.04974	2.2
107.08605	0.4
108.02100	0.6
109.02845	0.4
110.03672	0.8
111.04453	0.5
115.05438	3.0
117.07005	5.3
121.02798	0.4
123.04429	8.1
124.05243	1.9
125.05974	0.9
127.05443	0.6
129.05130	0.3
129.07008	0.5
131.04958	0.8
131.08563	0.3
133.06444	0.5
134.03598	0.5
137.05910	0.8
138.03108	0.6
142.02554	0.3
143.04915	0.4
144.05609	0.4
145.01456	0.4
145.05400	0.6
145.06491	9.8
147.08046	0.7
151.03925	1.0
152.04649	2.2
155.06062	2.0
156.05611	0.4
163.03879	0.3
163.07619	0.3
167.07033	100.0
168.04289	0.4
168.07399	2.0
171.06548	1.2
173.05986	14.3
175.07545	0.7
181.04953	20.8
187.07526	0.3
191.07028	1.1
201.05475	0.5
205.08542	3.3
217.08627	0.6
218.05753	0.5
221.08224	0.6
228.02161	0.3
233.08061	9.3
233.10402	0.6
235.09633	3.7
387.14368	13.4
388.14551	0.5
399.14471	0.5
417.15408	22.8
418.15833	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1544
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03937	0.8
55.05509	1.2
65.03938	3.3
67.05495	1.5
69.03432	0.7
70.15577	2.5
78.04696	3.2
79.05492	3.9
81.03411	0.7
81.07046	1.3
82.04198	2.0
85.02884	2.6
88.04932	0.6
91.05472	2.4
93.03384	0.8
94.68253	0.6
95.04983	3.0
97.06516	1.0
103.05427	3.0
105.07018	1.2
106.04159	2.1
107.04967	7.1
108.02083	0.9
110.03657	1.7
111.04434	1.1
115.05441	4.4
116.64062	0.6
117.07015	6.0
122.03658	0.9
123.04424	7.9
124.05187	4.4
125.05974	2.2
130.04138	0.8
130.06525	2.9
131.04950	2.5
133.06549	0.9
137.05968	1.3
138.03091	1.8
142.02635	1.2
145.06487	10.0
148.05217	1.3
151.03917	0.8
152.04639	3.1
153.01958	0.7
155.06049	2.8
163.07538	1.6
167.07039	100.0
168.07382	2.0
171.06522	2.9
173.05983	13.5
175.07574	1.2
181.04955	43.3
191.07048	9.4
195.06587	1.1
201.05461	1.1
205.08609	2.9
219.10252	0.7
233.08096	7.3
235.09671	2.6
242.09494	0.6
253.08490	0.6
323.09027	0.7
329.10037	0.9
353.14386	0.7
381.13455	1.2
387.14316	11.3
389.61169	0.6
399.14468	1.5
417.15411	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	417.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.2
55.01859	0.2
55.05494	0.3
65.03923	0.4
67.01868	0.8
67.05484	0.6
68.99801	0.4
69.03413	0.3
69.07069	0.2
70.06561	0.3
71.58226	0.2
71.58602	0.2
78.04691	0.5
79.05470	0.7
81.03410	0.1
81.07022	0.4
82.04208	0.2
85.02897	0.5
91.05465	0.6
91.48042	0.1
91.91756	0.1
93.07030	0.3
95.04970	0.3
95.08610	0.2
97.02905	0.2
97.06501	0.3
103.05474	1.3
105.03372	0.4
105.07012	0.4
106.04148	0.3
107.04956	1.0
107.08594	0.2
109.10164	0.1
110.03618	0.2
112.15542	0.2
115.05466	0.3
117.07009	1.1
123.04427	1.3
124.05196	0.6
125.05963	0.3
128.06226	0.1
129.03345	0.7
130.06555	0.1
131.04901	0.3
133.06493	0.2
133.10136	0.3
134.10461	0.3
137.05937	0.2
138.02968	0.1
143.04936	0.2
145.06462	1.7
147.04382	0.8
148.05139	0.2
151.03886	0.3
152.04681	0.4
153.01826	4.2
155.06015	0.4
161.06006	0.3
163.07524	0.3
167.07037	16.1
171.02890	0.6
171.04260	0.2
171.06485	0.5
172.13348	0.2
173.05991	2.3
175.07487	0.2
181.04953	5.7
187.07422	0.3
191.06992	1.0
195.06471	0.2
205.08521	0.7
209.05974	0.6
213.05525	0.2
217.08568	0.2
231.06581	0.3
233.08067	1.3
235.09654	0.6
255.06509	100.0
256.06854	2.0
279.06210	0.2
329.10300	0.2
387.14435	2.1
417.15463	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	417.118
Annotation	Daidzin
Peak:m/z	Relative Intensity
62.33222	0.3
65.03944	0.4
67.01873	0.5
68.99783	0.4
70.21290	0.3
71.58775	0.4
78.04694	0.5
79.05477	0.6
81.07032	0.4
86.67001	0.3
88.49087	0.2
91.05482	0.7
91.30875	0.2
95.04942	0.5
97.06493	0.3
98.26575	0.3
103.05444	1.7
105.03383	0.6
105.07019	0.5
107.04926	0.9
115.05446	0.8
117.07009	0.8
123.04398	1.2
124.05188	0.6
125.06012	0.4
129.03368	0.6
131.04926	0.7
132.05670	0.5
137.05933	0.3
145.06430	1.5
147.04407	0.6
151.03882	0.4
153.01787	3.4
155.06097	0.3
158.81693	0.2
161.05962	0.9
167.07043	16.8
168.90535	0.3
169.06387	0.2
171.02882	0.4
171.06491	0.3
173.05983	2.1
179.06908	0.3
181.04944	6.0
184.57605	0.3
187.07469	0.3
191.06978	1.0
192.07820	0.4
205.08601	1.0
209.06067	0.6
233.08154	1.4
235.09607	0.5
255.06519	100.0
256.06799	2.1
307.09717	0.3
367.08057	0.4
387.14365	1.8
417.15634	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	417.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.1
55.01840	2.0
56.83626	0.5
57.03407	1.5
65.03931	2.8
67.05511	1.2
68.99772	2.6
69.03400	2.1
70.06355	3.1
73.02895	0.8
78.04678	2.1
79.05498	4.3
80.63401	0.5
81.03419	3.2
81.07054	1.3
83.04961	0.6
85.02425	0.6
85.02901	6.2
91.05481	4.9
93.03401	1.1
93.80774	0.7
95.04421	0.9
95.04966	7.0
96.05778	0.6
97.02884	2.1
103.03918	1.9
103.05443	2.3
105.03366	1.4
106.04202	1.0
107.04949	6.8
109.02873	5.3
110.03643	0.7
115.05441	3.8
117.06996	6.3
119.04938	7.9
121.01999	0.8
121.02862	15.5
121.06483	2.2
123.04422	12.6
124.05209	3.1
125.05966	0.6
127.03884	1.0
127.05418	0.9
131.04922	0.9
133.02769	0.7
134.03630	0.9
135.00986	0.6
135.04419	5.1
136.27280	0.6
137.06013	0.9
138.03098	0.9
139.03877	0.7
141.01801	2.3
141.05560	0.7
145.06468	9.3
145.74516	0.6
147.04404	24.7
149.02327	1.9
151.03883	2.7
152.04663	2.7
153.01852	4.2
155.06018	2.4
159.04369	0.6
161.02328	0.7
163.03902	15.1
165.01834	32.9
165.05435	1.2
167.07034	100.0
168.07347	0.9
173.05974	14.6
175.03906	2.3
177.01831	22.1
177.05389	1.0
179.03401	1.7
181.04950	19.4
182.07185	0.6
183.02884	30.7
187.03920	2.3
189.01834	6.6
191.03394	45.7
192.79623	0.5
193.01378	1.4
193.12238	0.7
195.02869	9.9
195.10127	1.0
197.00848	2.1
202.02539	1.1
203.03343	4.8
205.04929	3.0
205.08595	3.9
207.02849	4.9
209.00832	1.3
209.04398	4.9
215.03458	3.9
217.01373	2.4
219.02881	75.7
220.03290	1.0
231.02879	26.4
233.04561	3.3
233.08078	9.5
235.09673	3.8
237.03973	3.6
237.11304	2.3
243.02872	5.3
249.03900	12.5
255.06578	2.1
255.12279	9.7
261.03943	29.6
265.39926	0.7
273.07574	2.3
279.04959	9.2
285.07581	35.4
286.07953	1.0
297.07712	24.6
309.07547	2.2
311.05673	0.9
311.09134	1.0
339.08627	48.8
340.08936	1.6
351.08640	21.8
352.08932	0.8
353.09970	0.8
363.08575	8.6
369.09921	1.9
381.09659	9.4
387.14359	13.0
399.10782	8.6
399.15750	0.7
417.15588	22.1
417.28253	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41421	0.6
53.03922	0.8
55.01849	2.3
57.03403	2.0
58.43381	0.6
61.02887	0.9
65.03925	1.8
67.05472	2.4
68.99777	3.0
69.03407	1.5
69.35413	6.5
69.94085	0.6
70.06559	0.9
73.02897	1.2
78.04672	2.6
79.05498	4.1
81.03426	4.0
81.07043	0.9
83.04955	0.9
85.02904	5.2
91.05477	4.7
95.04962	7.3
97.02881	2.2
103.03916	1.9
103.05443	1.5
105.03384	0.8
106.04115	1.1
107.04948	6.6
109.02859	4.8
110.03636	1.2
111.04405	1.0
115.05429	3.2
117.06982	5.6
119.04932	6.8
121.02859	15.2
121.06495	1.5
123.04430	13.6
124.05205	2.7
131.04904	1.5
133.02786	0.8
135.04401	5.1
137.02332	1.4
137.06018	0.9
141.01804	2.1
145.02837	0.8
145.06490	10.1
147.04404	23.2
149.02304	2.4
151.03888	3.4
152.04681	2.5
153.01851	3.6
155.06024	2.2
159.04468	0.8
163.03899	12.2
165.00356	0.9
165.01823	27.9
167.07034	100.0
168.07332	0.8
171.06508	1.0
173.05974	14.4
175.03851	1.4
175.07602	0.8
177.01823	19.5
179.03397	2.7
181.04962	19.1
183.02884	28.6
183.04510	1.4
185.90472	0.9
187.03900	2.1
189.01782	5.2
191.03384	41.2
193.01361	1.2
195.02892	7.7
195.10083	0.9
197.00768	1.4
201.05424	0.8
203.03392	4.5
205.04950	3.0
205.08582	3.6
207.02885	4.7
209.00772	1.6
209.04424	4.3
213.05371	0.8
215.03371	3.8
217.01349	2.2
219.02884	72.5
220.03368	0.8
221.08064	0.8
231.02870	23.9
233.04639	3.2
233.08084	8.8
235.09612	3.8
237.03954	3.6
237.11334	1.2
243.02888	6.4
249.03970	11.5
255.06573	2.7
255.12231	8.5
261.03937	28.7
261.62869	0.8
263.09247	0.7
273.07532	2.7
279.02158	1.0
279.04987	6.9
284.62845	0.7
285.07568	31.3
286.07849	1.2
293.07669	0.8
297.07718	24.6
309.07565	1.6
311.05518	0.8
311.09073	0.7
339.08624	46.5
340.08862	1.0
351.08621	18.4
352.09000	0.9
363.08646	7.3
369.09769	1.9
381.09641	9.8
387.14310	13.6
399.10669	7.3
417.15576	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	417.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20193	0.5
53.03932	0.9
55.01855	1.0
57.03431	0.4
59.54348	0.5
65.44227	0.4
67.01857	3.4
68.99776	0.8
69.03430	2.3
71.04984	0.6
73.02914	0.5
81.03403	3.7
83.04959	0.5
85.02896	8.7
85.46800	0.5
86.09693	1.5
87.00811	2.0
95.04929	1.0
97.02876	2.1
98.20715	1.1
99.04447	1.7
105.01879	1.3
109.02851	2.8
120.58894	0.4
123.04411	4.8
127.03914	11.7
141.75041	0.5
142.21046	0.5
145.04918	2.3
151.03889	20.8
159.02911	2.6
164.25366	0.5
167.07031	0.7
169.04953	100.0
170.05269	0.9
184.14957	0.4
193.04910	1.0
221.60721	0.5
231.04886	0.7
409.67126	0.6
422.65561	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.9868
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84754	6.1
56.96554	17.0
59.98217	5.3
69.37363	49.3
72.90721	5.7
90.44964	5.0
97.02883	27.8
98.21520	12.3
98.97575	68.2
116.98612	95.7
118.98225	6.5
134.99646	77.3
136.99234	6.3
153.00687	18.3
172.94373	5.8
192.98679	8.0
204.70345	5.4
219.02008	12.5
232.96440	7.5
234.99829	14.6
237.76636	5.0
250.97641	12.8
252.95091	6.3
252.97595	9.9
256.96439	11.3
258.99860	13.2
261.03070	17.0
263.02899	6.8
274.97528	100.0
275.98010	8.4
276.97464	45.2
277.00906	27.6
277.97534	6.7
278.00925	7.6
279.00964	7.3
283.72699	6.7
292.98563	79.6
293.98972	9.5
294.98376	27.5
300.97763	12.1
301.01053	27.9
302.01166	8.6
303.00507	7.9
316.95361	8.3
316.98727	9.7
317.99301	7.3
318.98572	27.4
334.96219	16.7
416.98831	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	416.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	0.5
58.99875	0.6
68.10942	0.4
69.07055	1.8
70.06566	0.5
71.28081	0.8
77.00905	1.6
84.08153	1.9
86.09704	42.0
97.02879	0.5
97.06543	1.1
97.60984	0.4
98.97565	0.6
102.04031	0.7
107.51191	0.4
119.01937	0.6
120.02045	0.6
121.01706	0.5
121.06535	3.0
124.06109	0.5
128.05591	0.4
130.03488	1.8
131.01915	0.9
132.02034	0.4
132.10164	1.1
138.09134	0.8
142.07117	4.3
144.08699	3.7
146.03543	0.5
146.06642	0.5
153.01811	0.5
154.07077	1.9
160.08194	13.9
160.37199	0.4
162.09756	10.4
172.08189	30.9
173.06584	2.3
173.08353	0.8
174.09775	2.2
181.55328	0.4
186.03036	0.6
190.09238	6.7
191.07661	4.0
191.09196	0.7
195.09821	0.9
197.11372	0.5
198.09743	0.4
202.09306	0.4
207.11942	1.8
208.10289	3.9
209.15050	0.5
211.00935	0.5
212.01070	0.5
213.00615	0.6
221.14856	0.6
227.16052	1.1
229.05777	0.4
239.16043	3.8
240.14392	2.8
242.15961	0.8
244.10237	0.7
245.05074	0.5
246.05290	1.4
248.03224	0.9
255.15669	0.9
257.17120	5.0
258.15503	3.1
264.06134	0.5
265.06079	0.7
267.15573	3.1
268.13950	1.0
272.03171	0.6
273.16605	2.4
275.18170	9.9
285.16592	25.4
286.12100	0.5
286.14578	2.3
302.19357	0.5
303.17654	100.0
304.12457	0.6
304.17905	5.4
321.18701	13.8
322.19000	0.8
326.19266	3.5
356.05246	1.4
357.05063	0.8
374.06357	1.3
375.05750	0.7
386.62057	0.5
416.26077	1.1
417.07376	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29250	1.2
62.99256	1.2
67.05485	2.0
68.99775	1.8
69.03417	2.6
70.06615	1.7
71.05019	1.4
71.59101	2.3
72.73579	1.5
79.05497	2.9
81.07055	2.8
81.70691	1.2
85.02931	3.3
91.05489	2.4
93.07049	2.6
95.04956	2.6
95.08591	1.6
105.07018	2.9
107.04948	4.2
107.08606	1.5
109.06517	1.8
109.10133	1.8
111.08099	1.9
119.08579	2.3
121.10123	1.6
123.04395	1.7
153.01845	8.1
167.07080	3.1
170.37425	1.2
173.13242	1.3
177.12770	5.4
179.03343	2.1
181.04951	4.5
195.06535	4.1
198.84927	1.2
207.02859	2.3
217.05017	3.3
235.16891	3.8
253.17906	1.7
297.03714	1.6
309.11282	1.3
341.13931	2.2
367.53564	1.3
371.07578	18.8
372.07727	1.6
373.17053	2.3
410.18069	1.5
415.10614	6.7
415.23029	100.0
416.23413	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	416.0058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08785	1.4
55.93524	7.2
68.99788	2.4
70.06590	3.1
70.86866	2.8
70.87219	3.2
72.93790	13.1
81.03396	3.1
84.08145	1.6
86.09703	10.8
90.94797	7.9
95.87127	1.4
108.34419	1.3
108.95813	2.1
109.02859	2.0
110.07146	3.0
110.95366	2.0
115.05410	2.4
120.08088	2.2
121.02891	1.8
142.97876	2.3
147.04408	7.1
152.96333	4.5
153.01788	4.3
155.04852	3.0
168.95796	2.6
170.97371	5.0
171.04413	14.6
172.37148	1.5
178.97975	2.2
180.95869	4.1
182.97388	2.4
183.04410	2.0
184.95341	2.2
187.03908	4.2
190.97919	1.8
192.95734	8.3
194.97424	11.5
198.96869	8.0
199.03900	5.0
200.98413	1.8
202.97911	2.4
204.95912	2.1
206.97412	2.5
208.95303	3.2
208.98933	2.5
210.96881	21.3
211.03883	2.0
212.98431	4.9
214.96257	1.8
215.97121	3.4
216.95981	3.1
216.97937	5.5
216.99670	2.6
218.97450	10.2
220.95294	8.5
220.99011	3.6
222.96867	7.1
224.94821	5.2
224.98511	4.2
226.96086	3.8
226.98001	5.9
227.03342	4.9
228.97890	18.9
230.79089	1.9
232.98920	3.1
233.98235	2.9
234.96771	8.5
236.98430	5.5
238.96336	27.3
240.97836	8.0
242.95677	4.2
242.97746	2.3
244.99139	12.9
246.96924	8.6
248.94968	2.9
248.98492	6.1
250.96367	9.7
252.97942	6.3
254.97433	3.3
255.03081	1.7
256.97290	3.6
258.96909	11.4
260.98434	5.8
262.96454	3.4
262.99878	3.4
264.98026	8.3
266.95847	9.7
268.97565	9.2
270.97058	3.6
272.98447	24.5
273.03882	13.9
274.96417	5.8
276.97986	12.4
278.99399	2.0
280.97491	4.3
282.96884	23.4
284.96646	10.6
285.13556	2.0
286.96283	8.5
288.97794	7.6
290.96094	3.3
290.99521	7.4
292.97443	4.1
294.98856	2.5
298.96301	4.7
300.97934	60.5
301.98352	2.9
302.95731	2.5
302.99442	2.1
304.97379	14.2
306.98932	2.2
308.96890	5.9
310.96353	32.1
311.97043	3.4
312.97754	3.0
314.95755	9.0
316.97391	6.3
318.98981	40.5
319.99109	2.1
322.98441	4.4
323.99533	2.4
326.95639	2.9
328.97415	77.1
329.97565	3.0
330.98792	1.6
331.96201	3.1
332.96844	13.3
333.97763	2.3
334.98425	3.4
335.99319	1.9
337.00018	14.5
338.95776	2.1
342.95428	8.5
344.96954	5.3
345.97580	4.1
346.98456	59.1
347.98746	3.1
350.97891	5.7
351.98932	2.7
352.99564	1.6
356.96893	53.9
357.97205	3.2
359.95734	2.2
360.96423	12.5
362.98056	2.3
364.99582	17.2
370.00049	3.0
370.94839	1.9
374.97971	96.8
375.98163	4.2
378.97443	23.8
379.98389	3.8
388.95624	2.6
392.98996	60.0
393.99286	2.5
396.98724	2.0
397.99506	5.4
406.96814	3.5
411.00061	100.0
412.00281	5.4
416.00604	64.4
417.01041	3.6
424.97934	2.5
434.01709	84.0
435.01874	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.5
53.81308	1.5
55.05511	12.2
56.13344	1.7
57.02073	1.5
57.03439	8.1
57.07062	3.5
58.82600	1.4
62.33194	2.0
65.03938	2.6
67.05504	56.7
69.07075	13.2
70.49696	5.0
72.92844	1.6
79.05492	45.4
81.07058	59.7
83.08611	7.7
85.06545	2.5
90.01039	1.8
91.05471	24.7
93.07042	64.7
94.07354	2.1
95.04954	5.0
95.08604	45.8
97.06519	3.0
97.10204	2.3
98.98467	88.3
99.08076	2.1
105.07028	21.0
107.07870	2.9
107.08588	37.9
109.06494	1.9
109.10152	22.4
111.08105	3.9
111.11723	1.6
113.09645	2.4
114.28186	1.6
116.99511	2.8
117.06992	11.5
119.08588	30.8
121.10149	36.8
123.08037	2.8
123.11697	8.2
125.09646	2.5
131.08571	26.5
132.09023	1.6
133.10135	14.0
135.11688	33.2
136.50211	1.9
137.13263	5.3
144.42087	1.7
145.10117	14.4
147.11676	12.6
149.09613	4.2
149.12193	2.1
149.13258	26.1
151.11240	2.1
151.14825	2.0
155.01039	89.3
157.60590	1.6
159.11664	14.7
161.13249	11.8
163.11139	2.4
163.14803	18.3
171.08057	1.6
173.13310	13.5
175.14815	3.5
177.12732	1.9
177.16428	3.9
178.89725	1.5
179.14246	2.8
184.65480	1.6
187.14822	12.8
198.08583	1.4
201.16365	2.6
204.08662	2.1
205.15831	3.0
233.22594	5.0
243.21082	39.3
244.21361	2.3
261.22137	100.0
262.22302	2.4
415.22385	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	415.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	2.8
69.03393	1.4
70.06585	3.4
71.57020	1.2
84.73097	1.1
85.02892	2.7
97.02865	3.5
98.06060	18.2
98.97588	13.1
103.05488	1.8
110.97552	2.8
116.07089	100.0
116.98634	7.8
119.01940	4.0
120.74983	1.1
121.06498	24.6
128.98622	6.6
131.01883	3.3
133.51756	1.2
134.99654	3.6
138.09174	3.7
138.53453	1.1
145.03453	4.0
146.99646	4.0
149.58029	1.0
150.41164	1.0
153.01836	4.5
155.01901	3.6
157.03438	2.2
158.99664	6.0
161.01260	1.1
161.02888	1.9
168.02701	1.3
170.99658	7.2
173.02989	2.8
177.00769	6.0
181.02989	1.2
185.03020	5.6
188.21335	1.0
189.00677	9.4
199.03886	8.9
203.04028	3.0
209.02290	8.6
211.00829	9.2
211.03903	3.0
217.04956	5.7
219.01720	5.7
221.05145	1.6
223.03914	4.2
225.02605	1.1
227.03395	22.3
228.03853	1.1
229.02013	4.7
229.04971	5.7
231.01830	2.5
235.00856	2.2
235.03967	4.3
237.02844	8.9
241.04965	9.4
245.04671	2.1
247.02998	8.7
248.03105	1.4
253.02083	3.0
253.04987	7.0
255.03743	1.9
261.02548	1.2
263.03976	3.0
271.03238	1.4
271.05911	10.7
277.01950	1.6
277.04810	1.4
278.12372	3.3
287.98312	1.2
289.01871	1.2
289.07178	2.8
295.02911	2.2
297.04642	1.9
307.02994	3.8
309.04681	1.5
311.06088	4.7
313.03976	2.1
325.04166	1.6
337.04068	4.0
355.05127	22.9
356.05154	2.8
373.06140	21.7
374.06427	3.7
396.07782	1.3
415.10226	63.2
416.10275	3.9
433.11267	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.05499	0.4
57.18357	0.2
65.03929	0.4
67.05495	0.6
69.07075	0.2
70.19601	0.5
70.20008	0.2
79.05487	1.7
81.03407	0.2
81.07038	0.8
81.29663	0.2
83.08634	0.2
91.05473	8.0
92.05795	0.2
93.07028	1.4
95.04949	0.5
95.08611	0.7
98.98440	1.3
103.05457	1.0
104.06234	1.1
105.07008	0.3
107.08597	0.5
109.10169	0.4
115.05453	0.5
117.07018	2.2
119.08577	100.0
120.08901	1.8
121.10128	0.6
131.08586	0.5
133.06485	1.2
135.11678	0.2
138.98538	0.2
145.10161	0.4
149.13231	0.2
155.01088	0.9
159.11710	0.3
173.13292	0.3
243.21173	0.6
261.22058	1.4
263.81595	0.2
281.05618	0.2
340.72083	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	415.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.2
55.64088	0.7
57.03429	1.9
57.07070	1.9
58.40590	0.6
67.05505	14.2
69.07053	3.1
71.08614	1.6
71.58921	1.2
71.59327	1.1
72.82596	0.7
79.05496	13.6
81.07056	15.4
83.08608	2.3
85.06519	0.7
85.10188	1.0
91.05471	14.4
93.07048	15.5
95.04951	2.1
95.08599	12.9
97.06464	0.8
97.10146	1.4
98.98462	22.6
99.08105	1.1
99.98450	0.8
105.07031	7.0
107.08591	10.8
109.06506	0.8
109.10160	5.4
113.09710	1.0
117.07019	5.9
119.08580	100.0
120.08907	2.8
121.10136	11.2
123.08030	0.9
123.11710	2.6
131.08586	7.2
133.06502	1.4
133.10147	2.7
135.08051	1.2
135.11693	7.7
137.13263	1.1
145.10138	5.8
147.11682	3.4
149.09605	2.4
149.13280	7.2
151.14792	1.2
155.01035	20.8
159.11711	4.0
161.13248	2.2
163.11205	1.4
163.14812	5.0
173.13257	4.1
177.16377	2.5
179.14455	1.0
187.14857	2.7
225.72807	0.8
233.22614	3.0
243.21091	10.3
243.73007	0.9
261.22141	30.9
262.22464	2.0
292.98718	1.0
329.54892	0.8
355.17377	0.8
415.22137	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.1
69.03422	4.0
71.08547	5.1
71.59006	1.6
76.05128	2.5
79.05492	7.4
81.07046	3.4
86.09681	5.4
91.05469	5.5
93.07057	3.4
95.04975	5.2
103.05514	2.0
105.07038	9.2
107.04953	14.2
107.08602	2.3
112.21110	2.0
115.05457	3.9
117.07013	2.4
119.08568	3.6
121.02876	5.6
123.04414	4.1
124.05236	2.8
128.06235	5.2
129.07021	28.3
131.04919	4.8
131.08592	2.6
133.06490	6.9
137.05991	6.1
144.05713	3.8
145.06488	7.3
147.04396	1.9
152.04723	2.0
153.01819	6.1
153.05453	9.9
155.04938	5.2
156.67009	1.8
157.10033	2.0
159.08057	12.1
161.05962	20.8
165.06987	2.1
167.07043	31.9
167.08469	3.2
171.04384	3.8
172.05176	3.4
173.06012	3.1
174.06815	3.8
175.07597	4.6
175.46246	1.8
178.07787	6.6
179.06909	2.2
185.06088	1.9
187.07555	43.6
189.06990	3.2
189.09131	4.2
190.07880	2.6
191.08588	6.6
195.08083	2.6
199.07559	2.7
202.07802	6.4
203.08577	7.6
205.06464	12.6
206.07265	9.9
207.08057	3.9
209.09633	2.5
211.07457	2.6
217.06494	6.6
218.07220	4.5
219.08031	13.3
220.08702	3.7
221.05945	3.0
221.09598	14.7
222.06799	3.3
223.07576	8.1
231.08080	4.9
233.05931	9.5
234.06772	14.4
235.07558	11.9
236.08415	2.4
237.09122	6.3
245.06067	4.2
247.07539	8.6
248.08351	6.6
249.09061	28.4
250.06224	6.3
251.07024	23.2
261.05505	3.8
263.07132	5.5
263.10764	3.5
265.08554	17.1
266.09296	10.5
275.06964	3.3
276.07813	3.4
277.08578	14.1
278.06110	2.1
278.09308	4.3
279.06519	13.1
279.10187	5.0
280.07321	2.5
280.10861	2.8
281.08667	2.0
281.11697	36.0
283.09583	12.2
291.10150	3.4
293.08093	11.5
294.08807	14.8
295.09616	5.0
297.11185	7.9
299.05432	17.3
307.09473	3.1
308.10434	3.6
309.11185	55.9
310.11850	4.8
311.05539	4.8
311.09149	12.5
325.07178	3.3
325.10724	6.8
326.11462	100.0
327.11948	3.2
338.11227	2.5
339.12320	13.6
340.13013	57.6
341.13797	64.6
342.14240	2.5
353.06442	4.9
379.08252	4.6
397.09296	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	415.16
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68164	0.7
52.97692	0.6
53.03931	1.3
55.01865	1.1
55.05502	2.0
57.03419	1.6
57.07077	38.6
57.21326	0.7
60.84510	0.7
63.39218	0.7
65.03927	1.1
67.05502	1.9
68.99777	0.8
69.03423	3.2
69.07068	1.0
70.90482	2.2
71.04988	0.6
73.76366	0.7
79.05482	4.5
81.03419	1.4
81.07063	4.1
83.04962	0.7
85.02888	4.1
85.06548	10.1
90.73781	0.7
91.05476	2.0
93.07042	2.3
95.04978	1.8
97.02913	2.2
97.06522	1.6
99.04464	1.0
101.06022	0.6
105.07010	2.5
107.04942	3.2
107.08593	1.6
109.06538	1.2
109.10159	1.2
119.08586	2.3
119.28512	0.7
121.02853	1.1
121.06522	1.4
121.10155	0.7
123.04420	1.0
123.08092	0.8
124.05196	1.0
125.09644	0.8
127.03918	20.4
127.07586	4.5
131.08545	1.3
133.10141	1.8
135.08075	0.9
137.05949	1.0
145.06511	1.3
147.11693	0.8
151.03923	1.6
153.01830	100.0
153.09030	0.8
154.02164	1.9
157.10062	1.3
161.09531	1.0
167.07059	3.2
169.04855	1.1
175.11076	0.8
177.05807	0.7
179.10696	1.3
181.04904	5.1
189.12735	1.2
191.06999	1.0
193.08667	1.0
195.06526	7.1
203.05293	1.4
205.05032	0.8
217.15858	0.9
233.08044	0.8
235.09634	1.8
235.16945	8.0
253.10716	53.2
253.18002	2.0
254.10988	1.5
309.11331	1.4
326.11520	0.8
341.13910	0.8
357.84601	0.8
387.14481	1.1
415.09958	2.6
415.14038	2.6
415.19287	2.9
415.24081	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32563	0.6
68.49429	0.6
68.99778	0.8
69.37276	5.9
69.37656	1.5
72.04009	0.7
85.02908	0.7
95.05013	0.7
97.06570	0.7
107.04957	1.0
107.08616	1.0
116.47922	0.6
153.01804	2.7
153.02901	0.6
158.93283	0.7
163.03972	1.0
167.07217	0.6
167.09177	0.7
167.10394	3.9
175.03632	0.7
181.04871	0.8
195.06467	0.6
195.09943	1.0
207.02893	0.9
217.04926	1.6
222.42616	0.6
279.10413	0.7
311.14743	0.7
325.07104	0.8
329.15726	11.1
353.15564	0.9
371.07736	5.8
371.16772	52.4
372.17133	2.5
415.15720	100.0
416.16125	4.9
422.27060	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.101
Annotation	3'-Deoxyderhamnosylmaysin
Peak:m/z	Relative Intensity
55.86412	0.9
56.96556	4.1
60.01214	0.8
71.17236	1.3
71.17569	1.7
75.78468	0.9
83.86501	0.9
84.96008	0.9
85.02879	1.2
95.21840	0.8
97.02866	1.9
98.06027	2.5
98.97580	24.6
110.97568	5.9
116.07077	13.6
116.46355	0.9
116.97803	1.5
116.98615	12.8
119.01954	5.0
121.06521	4.0
128.98596	8.4
131.00108	1.5
131.01898	2.9
134.99654	4.5
145.03505	4.3
146.99670	6.4
149.01231	0.9
153.01826	5.0
155.01880	2.8
157.03505	1.9
158.99664	6.5
161.02946	1.8
165.00671	1.5
166.75255	1.0
170.99615	9.5
173.02942	3.4
177.00728	8.5
181.02888	2.8
185.03011	5.0
189.00694	12.2
191.01321	1.9
193.02730	1.0
197.02863	1.4
199.03900	15.5
203.03922	1.2
207.01724	1.0
209.02348	17.1
211.00919	10.8
211.03819	6.2
212.00847	1.1
217.04991	9.8
219.01720	6.4
221.05124	1.8
223.03862	6.2
227.03395	35.0
229.01970	6.1
229.04924	6.4
231.01715	4.9
235.00867	1.7
235.03987	3.4
237.02808	13.6
239.03644	1.1
241.04939	11.5
245.04639	3.3
247.03020	5.6
253.02303	1.6
253.04959	7.9
255.03734	1.9
261.02377	1.6
263.03925	1.9
265.01883	1.9
271.03049	3.0
271.06046	11.1
277.02008	1.0
279.03775	2.5
283.06638	1.5
285.04672	1.6
289.01871	1.2
289.07016	4.7
291.03738	2.3
295.03040	2.2
297.36176	0.9
307.02985	4.0
309.04855	2.0
311.06100	4.2
313.04065	1.3
313.07278	1.1
325.04071	1.5
329.99765	1.0
337.04089	4.4
355.05063	24.0
356.05331	2.8
373.06171	22.8
374.06509	1.9
396.07736	1.3
397.08868	1.9
409.31009	0.9
415.10223	100.0
416.10608	3.1
433.11243	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	415.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62509	13.0
70.29880	40.4
72.08155	28.6
84.04506	31.4
84.08107	16.4
88.41318	13.0
98.21458	18.8
98.97583	18.7
101.07150	28.8
103.05444	19.0
105.25871	13.7
116.07054	14.4
120.08125	61.4
134.99615	17.0
137.74979	12.4
152.07074	13.2
157.81860	14.4
227.16547	12.7
237.02892	21.8
250.07317	25.2
262.80252	12.1
268.08591	22.7
271.03036	13.2
318.00977	13.7
337.92932	13.0
344.97363	14.5
373.14249	29.4
415.09976	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	3.2
58.99846	2.0
64.88445	1.7
71.12733	2.7
71.13054	2.8
77.00936	1.8
77.51129	1.9
85.02895	3.1
86.07494	2.0
97.02879	8.4
98.06021	2.0
98.97559	6.6
101.00854	4.4
109.02858	3.3
116.07064	6.5
116.98612	3.2
119.01910	18.9
121.06463	2.9
131.01942	11.5
133.03439	2.9
137.02962	2.3
139.02412	2.2
142.13664	2.1
143.01860	3.0
145.03490	13.3
146.99689	2.2
149.03021	2.0
153.01823	14.7
155.01868	12.5
157.03453	8.0
161.02971	6.4
163.04430	2.2
165.38342	1.8
167.01917	2.9
173.02972	13.7
177.00732	2.7
183.01399	2.7
185.02934	21.7
192.99976	2.4
197.03052	2.9
199.04195	3.6
203.03984	8.7
207.05063	3.2
209.02998	5.5
211.00902	42.0
211.04309	3.4
212.01035	2.7
214.39417	2.4
221.03035	2.4
221.05058	6.2
227.03992	8.8
228.99933	2.8
229.01950	21.7
235.00894	5.8
237.02679	7.0
239.04037	4.3
241.05215	2.7
245.05107	4.3
246.08287	2.1
247.00784	4.3
247.03012	27.5
249.02376	2.6
251.03857	2.2
253.01933	8.0
253.05559	3.5
255.03593	2.3
261.02258	2.4
263.03967	5.2
265.01996	6.4
267.03442	3.2
271.03098	17.1
271.05862	2.6
273.04666	2.6
277.01883	4.0
279.03577	4.9
283.06567	4.0
285.04520	5.3
289.01920	7.2
295.02942	11.8
297.04568	4.3
305.57703	1.9
307.03006	17.2
311.06165	14.2
313.03934	6.1
315.05350	2.5
325.03952	7.2
329.06763	2.1
337.03995	18.5
341.49881	1.9
350.92392	2.0
355.05109	100.0
356.05182	5.9
373.06161	86.6
374.06168	7.9
396.07751	9.3
411.35272	2.0
415.05566	2.5
415.10358	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	415.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	4.1
56.96555	17.1
61.02929	3.9
69.03416	8.2
70.06590	4.2
70.28868	3.1
71.57735	3.3
71.58123	4.0
73.02902	3.9
75.71604	3.1
77.00888	4.0
81.03420	4.0
84.96015	8.7
85.02899	17.1
86.09702	5.6
97.02888	15.9
98.97572	25.7
100.07542	3.8
101.00829	3.6
109.02898	6.6
116.07108	6.1
116.47455	3.0
116.98614	22.0
119.01934	25.6
119.05817	2.8
128.02271	3.5
128.98546	4.5
131.01904	17.7
134.99661	7.6
137.02901	4.5
145.03471	11.8
146.99669	6.3
153.01814	22.8
155.01869	11.2
157.03455	10.0
158.99660	4.7
161.01221	9.0
161.02966	14.3
163.04228	4.5
170.99588	4.1
173.02954	12.7
176.07690	3.2
177.00743	9.2
178.94949	3.6
179.02167	3.6
185.02930	32.5
197.02954	5.1
203.02299	6.5
203.04034	8.0
209.02960	4.5
210.99069	5.9
211.00897	47.9
213.00685	3.3
214.03177	4.2
219.01823	9.9
221.05107	8.7
227.04010	8.8
229.00130	9.8
229.02068	16.6
232.67693	3.1
234.02504	3.8
235.00850	4.2
235.04776	4.0
237.02773	19.2
239.03952	3.8
245.05095	11.0
247.01056	5.7
247.03076	26.5
249.02385	4.8
251.03998	3.8
253.01947	8.6
253.05736	3.5
263.03857	7.5
263.06415	4.8
265.01962	5.6
265.99832	4.1
267.03598	4.1
271.02975	15.0
271.06073	6.0
277.02164	4.5
279.03528	5.0
285.04544	6.0
288.09222	3.9
289.01743	5.8
292.04413	5.7
293.12045	3.3
295.03015	9.5
307.02997	18.2
309.95248	3.5
311.06131	17.7
313.04282	6.9
325.04163	6.6
337.04059	12.7
340.06421	4.0
355.05133	100.0
373.06180	84.5
374.06406	5.5
396.07840	6.5
415.10199	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	414.233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65892	7.5
55.78494	8.4
57.03433	12.9
69.03432	59.2
71.05049	13.3
71.05399	16.9
72.08176	8.3
85.02898	100.0
87.04473	40.7
95.04999	11.2
97.02898	54.2
115.03937	58.8
127.03929	21.1
133.04970	72.2
145.04961	28.2
153.54689	8.5
153.57213	7.4
163.06061	18.0
163.52205	8.7
166.62556	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	415.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15551	1.6
56.96560	11.1
61.02916	2.6
62.77176	1.3
65.72483	1.3
67.19076	1.5
69.03421	4.3
70.06590	1.8
70.50536	5.0
77.00914	2.7
78.67851	1.3
81.03415	2.2
84.96035	1.4
85.02897	8.4
86.09720	3.0
90.79624	1.4
93.07043	2.6
97.02887	6.7
98.06075	9.4
98.97587	25.2
101.00864	3.2
109.02890	2.8
110.97561	4.4
116.07088	59.6
116.98610	22.2
119.01926	14.0
120.76051	1.6
121.06501	29.1
127.03942	3.3
128.98589	10.9
131.01889	9.5
133.03467	2.3
134.99652	12.3
137.02939	3.9
137.04591	4.2
138.09132	6.7
143.01898	2.0
145.03470	9.0
146.99648	11.4
149.01198	2.7
153.00702	2.4
153.01825	14.5
155.01880	6.7
157.03487	5.8
158.99654	7.3
161.01207	3.1
161.02901	2.7
163.04526	2.5
167.01900	2.2
170.99666	9.3
173.02972	8.9
177.00711	11.9
181.72638	1.8
183.01447	1.6
185.02948	16.3
189.00735	19.5
192.99927	1.8
197.03030	2.8
199.03914	13.8
201.00725	2.9
203.04051	7.6
207.01753	2.4
209.02394	12.9
211.00859	29.6
211.03844	7.6
213.00684	2.6
217.04918	9.7
219.01740	8.7
221.03082	1.6
221.05067	3.6
223.04066	5.4
225.72279	1.5
227.03412	36.5
229.00262	1.9
229.02019	14.8
229.05016	9.4
231.01833	4.3
235.00911	3.9
235.04156	3.6
237.02802	22.0
239.03844	2.4
240.16241	1.6
241.05003	12.5
245.04959	4.6
247.00792	2.7
247.02994	19.5
248.57121	13.5
253.01920	8.4
253.05000	7.8
254.07187	1.9
255.03699	3.0
261.02689	3.7
263.04053	4.3
265.01871	2.5
271.03015	6.3
271.06058	15.1
277.01947	2.4
277.04901	2.2
278.12311	1.6
279.03671	4.6
283.06613	2.3
285.04575	2.9
289.01993	4.3
289.06976	4.5
294.07721	2.4
295.02972	6.4
297.04651	3.7
307.02966	11.8
307.06750	3.4
309.04977	2.6
311.06168	14.0
311.82578	1.6
313.04129	3.0
315.05710	2.3
325.04068	4.2
333.69440	1.6
337.03903	10.2
355.05096	73.2
358.51147	1.5
373.06161	61.1
396.07730	6.2
415.10229	100.0
421.52948	1.7
428.81885	1.6
433.10950	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	413.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	61.7
57.03423	23.9
57.07073	49.4
67.05505	27.9
69.07063	72.2
71.08631	37.9
77.86138	6.1
79.05486	11.8
81.07054	44.5
83.04968	6.5
83.08617	37.0
85.10168	21.1
93.07033	13.7
95.08598	30.9
97.06539	10.3
97.10180	28.5
98.20761	11.4
102.26380	5.3
103.21064	5.0
107.08559	14.4
109.10113	16.6
111.08020	8.4
111.11725	10.2
114.49445	5.7
121.10137	16.4
123.11736	10.2
125.09588	9.0
135.11650	18.1
139.11160	6.9
149.13260	11.9
153.12712	9.2
229.53378	6.1
321.31589	12.3
395.35156	15.8
413.36313	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.0
53.05236	0.6
53.74136	0.7
53.85809	0.7
55.01852	1.2
57.58478	0.6
65.03921	0.8
67.05487	1.5
68.99799	0.6
69.03400	1.3
69.07053	1.5
69.36436	1.5
69.36852	6.0
70.06567	0.8
71.04970	1.4
79.01823	1.1
79.05466	2.0
81.07014	1.8
82.06590	0.7
83.04991	0.9
84.37596	0.6
85.02883	1.5
86.09669	0.7
91.05470	2.8
93.07022	2.1
95.04945	1.2
95.08591	1.4
97.02860	0.9
103.05396	0.9
105.07023	1.4
106.91228	0.7
107.04932	1.4
107.08607	0.8
109.06468	0.7
109.10126	0.8
113.09671	0.8
119.04945	3.8
119.08598	1.2
119.33843	0.7
121.02854	1.0
121.10098	0.7
123.04426	27.2
124.07481	0.9
131.04884	1.4
131.08554	0.9
133.06435	1.0
135.04367	0.9
137.06006	0.7
137.70009	0.7
138.05513	2.3
138.39722	0.6
139.03862	0.7
140.13947	0.6
141.01768	0.7
147.04416	18.0
147.11610	0.6
152.04546	0.8
153.01813	0.9
156.06525	2.9
161.02383	1.2
161.05966	1.1
163.03828	0.7
164.06955	0.9
165.05478	3.8
166.05066	0.8
171.04468	0.7
175.03911	19.8
177.05458	2.7
187.03893	3.4
189.05432	0.9
191.03416	1.3
192.06544	9.7
193.04959	0.9
195.06619	1.0
203.03389	100.0
204.03778	3.4
205.04962	1.4
206.08209	1.9
211.91148	0.7
215.03394	27.1
217.05037	1.6
221.04425	2.6
224.10612	1.1
231.02873	30.2
233.04427	0.8
234.07605	29.2
234.18558	0.7
235.07689	0.9
243.02937	2.8
245.04454	2.7
246.07494	0.8
252.19565	2.0
262.07098	52.0
263.07382	1.4
274.07071	21.0
275.07468	1.0
276.08655	1.9
304.08078	0.8
337.07062	8.4
355.08130	8.6
364.24747	2.1
368.11374	1.4
371.07635	1.1
383.07779	0.8
384.20749	7.3
386.12540	1.2
396.10812	2.6
414.11874	26.5
414.21439	23.0
415.10641	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2686
Annotation	Robustol
Peak:m/z	Relative Intensity
53.03935	2.5
55.05497	5.0
66.23763	1.7
67.05499	12.9
69.07057	6.1
71.04987	2.7
71.59084	2.5
72.16853	1.5
79.05489	29.2
80.82830	1.6
81.07050	100.0
83.04990	3.5
83.08604	3.3
85.06535	3.2
91.05476	17.2
93.07035	16.9
95.04951	3.5
95.08607	10.1
97.06503	2.9
99.04445	3.6
105.07018	18.2
107.08598	25.2
109.06506	36.6
109.10170	5.6
115.05445	1.8
117.06970	5.7
119.08579	32.1
121.06535	2.1
121.10126	10.4
122.18037	1.7
123.08038	2.7
123.11675	6.3
129.07001	4.2
131.08578	10.6
133.10135	25.4
135.08047	18.3
135.11691	4.7
141.07037	1.6
143.08549	7.3
145.10123	12.4
147.08022	3.2
147.11671	10.9
148.48618	1.8
149.09598	19.1
149.13257	2.0
155.08502	2.8
156.09297	1.9
157.10101	9.5
159.11685	12.1
161.09634	21.8
161.13223	8.8
163.11159	3.8
169.10089	3.4
171.11658	5.8
173.09576	3.1
173.13272	4.6
175.11179	7.2
175.14787	2.6
177.09085	1.8
179.10648	3.5
181.10191	1.9
183.11662	7.7
185.13254	7.5
187.11229	2.3
187.14769	3.6
189.09297	1.9
189.12743	2.8
190.49654	1.6
191.10664	2.0
193.12210	6.4
197.13211	2.5
199.14864	2.7
201.12770	3.4
201.16299	2.2
203.14102	3.5
204.13177	1.7
205.12288	2.7
207.11835	2.0
209.13350	2.6
213.12785	2.6
215.14255	3.9
221.15527	1.6
223.14856	1.9
225.16367	3.3
227.14226	3.0
227.17850	4.7
229.15900	2.9
245.15341	3.7
245.19038	4.3
247.16902	4.8
251.39781	1.6
267.17389	1.9
287.20071	6.7
305.21063	2.8
311.19986	1.9
347.14957	1.8
351.23190	2.3
369.24277	3.1
377.25015	1.8
395.25726	6.0
413.26822	39.9
413.33173	2.7
413.34451	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	413.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.05267	0.7
55.05509	9.3
57.03437	0.8
57.07070	1.4
64.48941	0.5
67.05484	1.9
69.03419	2.0
69.07059	1.4
70.06578	2.2
71.04974	0.5
71.59165	0.5
79.05485	1.5
81.03410	1.6
81.07043	2.3
82.06566	2.3
83.05003	2.5
83.08623	6.0
84.08144	1.2
85.02905	2.4
85.06493	0.6
91.05466	1.9
93.07035	1.6
95.04948	0.8
95.08605	1.1
96.83318	0.5
97.02873	1.0
97.06528	1.2
98.09670	1.2
100.07624	2.8
100.11257	21.1
101.06000	0.5
101.11581	0.6
105.07003	1.7
107.04961	0.8
107.08607	1.4
109.02856	0.7
109.10166	0.7
110.06038	1.4
111.04444	4.9
112.07599	1.3
117.13898	0.6
119.08559	1.3
121.06530	0.8
121.10138	0.7
126.09146	2.2
127.03903	1.1
128.07076	3.4
129.05409	0.7
131.08524	0.9
133.10114	0.9
137.05992	2.0
140.07059	2.0
141.11464	2.8
145.02795	0.6
145.10106	1.2
147.08102	0.5
147.11725	0.9
153.01804	1.2
155.11168	1.5
159.11771	1.0
161.05923	0.7
163.03911	1.3
163.11198	1.0
165.05467	0.9
168.06604	0.7
173.09573	0.6
177.05438	0.9
177.12680	0.6
178.04871	0.6
182.15399	14.6
183.15761	0.6
191.07083	0.9
199.18045	1.6
203.05255	1.9
203.06956	0.5
204.66486	1.1
205.12265	1.1
208.80556	0.5
209.16478	4.3
210.14894	17.5
210.16650	0.8
211.15204	1.4
217.08618	0.5
218.66240	3.8
223.09999	0.7
225.07985	1.4
225.15956	0.6
226.19249	1.0
227.17480	2.4
228.15973	1.8
233.15236	1.5
234.11293	1.4
243.08965	0.8
245.18652	1.9
251.12920	4.5
251.15453	0.7
251.16258	0.6
251.20178	0.5
252.12311	5.1
268.21512	7.6
268.71582	2.0
271.06216	0.5
276.72812	0.9
282.19351	2.1
285.09766	0.6
326.27954	3.0
331.74652	4.7
332.24747	2.0
336.22910	0.9
337.21030	1.3
338.21426	0.6
340.75098	1.6
355.21973	0.5
395.20386	2.2
395.27798	0.6
404.28116	0.7
413.12152	8.9
413.21423	100.0
414.12433	0.6
414.22025	2.4
435.33154	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2147
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
55.05507	0.5
67.05497	1.1
69.03416	0.6
69.07046	1.0
69.52277	3.0
69.52705	0.9
70.06579	1.1
71.04982	0.9
78.98650	0.4
79.05490	1.6
81.03411	1.1
81.07056	2.4
83.04989	1.0
83.08628	0.4
83.92553	0.4
84.08099	0.5
85.02903	1.8
85.06536	0.6
86.09706	0.5
91.05484	1.6
93.07037	2.1
95.04952	1.1
95.08593	1.6
97.06546	0.9
98.21494	0.6
105.07017	1.9
107.08605	1.0
108.49218	0.5
109.02885	1.0
109.06500	0.7
109.10139	0.8
115.92371	0.5
119.08560	1.8
120.08128	0.6
121.06518	0.7
121.10123	1.2
123.04422	0.4
123.11685	0.8
127.03928	0.6
129.06950	0.6
129.88988	0.5
131.08568	0.7
133.10124	1.0
134.99677	0.5
137.05963	1.3
145.02837	0.9
145.10126	1.6
147.11723	0.6
149.09625	0.7
151.07571	1.5
153.01839	0.7
159.11691	0.7
161.05904	0.5
161.09624	0.5
163.03923	1.6
163.11180	1.4
167.07002	1.3
172.75070	0.5
175.07559	1.5
177.05461	1.1
187.07571	1.0
189.16383	0.8
203.03619	0.5
203.05302	1.8
233.15213	1.4
249.11188	0.5
251.16275	1.3
260.08441	0.5
297.07513	1.5
339.12219	0.7
369.13300	0.6
413.21423	100.0
414.21747	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1414
Annotation	t(6)a
Peak:m/z	Relative Intensity
55.01871	0.5
56.05015	0.7
57.81372	0.3
69.03436	0.9
69.75613	1.1
69.76037	1.7
70.06603	1.4
71.01352	0.4
74.06078	2.7
81.03447	0.5
84.08128	0.5
84.88896	0.4
85.02909	1.2
86.09711	0.8
87.00848	0.6
89.05987	0.5
102.05534	1.3
102.40188	0.4
105.01897	0.6
115.87350	0.4
119.03528	2.3
120.06570	8.5
125.42184	0.4
127.03938	0.8
130.15669	0.4
131.07124	0.3
136.06184	100.0
137.04581	3.2
137.06566	0.6
139.03943	0.5
153.01813	1.9
162.04109	62.3
163.04132	0.5
201.29953	0.5
210.06424	0.5
237.02768	0.5
254.51794	0.4
263.08878	0.4
268.10382	1.4
281.09927	38.8
282.09961	0.7
303.47910	0.4
413.13998	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2144
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
52.47768	0.6
67.05508	0.8
69.03393	0.8
69.65065	1.6
69.65483	2.7
81.03428	0.7
81.07047	1.2
85.02914	0.9
91.05439	0.7
93.07022	1.1
95.04996	0.7
95.08627	1.1
117.07007	0.7
119.08559	0.8
137.09535	0.7
149.05757	0.6
163.03906	0.7
177.05519	0.9
186.98015	0.6
203.05272	1.0
293.63211	0.9
383.20380	30.4
384.20898	0.9
395.20374	1.2
413.21429	100.0
414.21832	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1989
Annotation	diflorasone
Peak:m/z	Relative Intensity
62.04602	0.3
62.50057	0.3
66.13741	0.3
69.03418	0.6
69.97779	1.9
79.05446	0.4
81.03408	0.3
83.23160	0.3
85.02912	0.6
109.06536	0.4
147.09164	2.3
163.03882	0.6
191.08151	1.7
203.05231	1.7
218.74167	0.3
231.13686	0.5
281.15015	1.5
325.13922	1.9
394.12555	0.5
411.19879	100.0
412.20227	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	411.1988
Annotation	diflorasone
Peak:m/z	Relative Intensity
55.05500	0.5
64.33605	0.3
67.05521	0.4
69.47699	2.9
75.63816	0.3
91.05489	0.9
93.07027	0.5
98.21510	0.7
98.40015	0.3
98.97596	0.5
107.08604	0.5
119.08610	0.4
120.94305	0.3
124.03949	1.5
137.05959	1.3
139.03885	0.7
140.10655	0.5
149.09723	0.5
150.41843	0.3
163.07681	0.5
163.14980	0.3
167.24649	0.3
174.64574	0.3
177.16525	0.3
264.74255	0.4
325.03876	0.5
329.68289	0.5
411.19882	100.0
412.20212	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	411.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.5
55.05514	6.9
57.03431	3.5
57.07072	2.9
64.28516	0.7
67.05502	12.6
69.07072	10.1
69.27275	8.4
71.04994	2.1
71.08630	6.9
73.06511	1.0
75.04465	1.1
79.05478	7.2
81.07053	22.5
83.04948	1.2
83.08607	4.3
85.06564	1.3
91.05467	4.5
93.07039	13.4
95.04961	6.4
95.08608	14.3
97.06527	5.0
97.10165	1.6
99.08106	3.6
105.06393	0.6
105.07045	5.0
107.08592	10.9
109.06512	25.1
109.10157	5.7
111.08107	1.0
119.08575	4.1
121.06564	0.9
121.10149	4.9
123.08054	2.3
123.11716	1.4
125.09615	0.8
131.08600	0.9
133.10133	1.7
135.11699	2.7
137.13277	1.1
145.10109	1.2
147.11702	1.6
149.13214	0.7
151.11165	1.8
153.12701	1.2
161.13307	1.1
165.12761	23.7
170.46597	0.8
179.14247	1.1
195.74635	0.8
196.02710	0.8
200.65276	0.9
219.57317	0.9
221.18977	2.8
226.37650	0.8
240.41374	0.7
263.20093	5.3
291.26984	1.2
301.25018	0.9
319.26306	100.0
320.26743	5.8
337.27304	15.1
375.28674	1.5
393.30023	4.0
408.95215	0.8
411.31116	16.9
412.31412	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	0.3
53.03941	2.2
54.19936	0.4
54.60532	0.4
55.01849	1.3
55.05513	4.8
56.05036	3.5
57.07060	1.5
60.04513	2.6
60.52179	0.4
65.03946	0.9
65.74944	0.4
67.05502	12.9
68.05020	0.4
69.03419	3.7
69.07060	3.4
70.06585	0.8
71.04993	2.2
71.08627	0.6
71.58386	0.4
72.08141	0.3
74.06050	0.6
79.05491	15.0
80.05009	3.5
81.03407	2.1
81.05795	3.2
81.07052	11.1
82.06573	5.5
83.04957	0.6
83.08629	2.9
85.06560	1.7
87.04469	3.4
91.05482	6.9
93.07041	21.0
94.06566	19.1
94.07198	0.6
95.04960	3.6
95.07349	0.6
95.08604	18.6
96.08132	3.1
96.08968	0.4
97.06526	5.2
97.10152	1.6
103.05450	0.8
105.07024	11.8
107.07334	4.0
107.08549	0.5
108.08141	0.4
110.08909	0.7
110.09674	11.0
111.08081	14.7
120.08096	0.7
121.10139	0.5
122.09665	34.9
123.08064	26.7
127.22112	0.4
128.10710	37.3
135.11694	0.4
140.10698	100.0
141.09091	8.8
141.10989	0.7
148.63924	0.4
158.11765	8.5
196.59401	0.5
254.24873	0.9
272.25836	6.6
278.28531	0.4
290.28491	0.4
333.17401	0.4
348.28406	0.4
364.32025	0.9
376.32071	0.7
382.33069	3.1
394.33170	11.7
395.33334	0.5
412.34140	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	411.1989
Annotation	diflorasone
Peak:m/z	Relative Intensity
61.02929	1.2
61.98133	0.6
67.05537	0.8
69.03416	1.0
69.99126	3.6
74.06068	1.3
78.73826	0.6
79.05484	1.1
81.03412	1.9
81.07072	1.3
82.06570	1.3
85.07654	1.3
95.04992	0.9
95.07938	0.6
95.08565	1.0
97.02864	0.9
98.21417	0.8
108.90029	0.7
119.08585	1.0
127.03941	0.8
136.06168	1.2
136.28029	0.6
162.04117	1.8
162.17397	0.6
170.04384	0.6
202.91466	0.7
216.09120	0.7
266.16187	0.8
292.14163	1.6
347.51303	0.6
377.92093	0.7
411.19974	100.0
412.20288	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	411.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.4
67.05520	0.4
67.73618	0.4
69.03425	1.0
69.92162	1.0
69.92565	1.0
79.05448	0.4
80.28299	0.3
81.07054	0.8
83.04974	1.1
85.02895	1.2
86.09676	0.4
89.94202	0.4
93.07033	1.1
94.49349	0.4
95.04951	0.9
95.08598	0.8
97.02900	0.8
97.06554	0.5
105.06994	0.5
107.08607	0.5
109.10135	0.5
120.08100	0.7
121.10193	0.4
123.04455	0.5
124.07665	0.4
131.08554	0.4
137.06003	0.6
139.03940	0.6
149.13213	0.4
150.07849	0.5
167.06970	0.7
167.14366	1.1
171.11681	0.4
185.10704	0.4
190.05116	0.4
203.05280	2.1
205.09106	0.4
209.15379	0.8
210.26579	0.4
231.11301	1.6
231.13606	1.5
249.12303	1.8
249.14677	2.1
261.03888	0.4
266.16321	0.5
312.34811	0.4
333.87753	0.4
367.17294	0.6
411.19821	100.0
412.20212	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	411.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.5
57.03435	1.2
57.07065	2.3
61.02937	1.0
69.03422	1.8
70.06585	1.0
71.19477	2.4
74.06077	1.4
79.05485	1.9
81.03427	1.7
81.07076	2.0
83.04959	1.3
85.02888	2.0
85.06514	2.7
86.06880	1.3
91.05481	3.1
93.07046	4.0
95.04950	1.9
95.08617	2.0
105.07043	2.4
107.08595	3.8
109.06528	2.5
112.88841	1.1
117.76509	1.2
119.08620	2.3
120.08119	1.3
121.10159	3.0
123.08042	2.1
125.09609	1.6
127.03899	1.1
132.10490	1.0
133.10117	4.9
134.10486	1.3
135.11674	1.7
137.05984	13.1
137.09605	1.8
143.03094	1.0
145.10129	1.2
146.12457	1.5
161.13263	4.7
179.14282	7.1
189.12723	1.6
201.12575	2.4
203.05284	28.7
203.07027	3.2
207.13553	1.1
215.45029	1.2
232.16960	3.3
358.14133	1.5
381.18829	72.0
382.19141	4.9
411.19928	100.0
412.19769	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	411.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.8
56.96555	6.5
67.05499	3.3
69.03418	2.2
70.14337	10.2
79.05482	4.9
81.07070	3.5
81.40575	2.1
85.02953	2.5
91.05466	2.2
93.07062	3.7
95.08579	3.4
97.02919	2.2
98.97562	7.1
105.06991	4.2
109.06536	2.2
116.98627	4.7
119.08588	2.9
128.98604	4.2
133.10237	2.4
134.99648	4.0
137.05949	2.3
138.73912	2.1
139.03886	5.1
146.99675	4.6
213.12741	8.7
215.09401	3.2
219.01869	3.9
237.02858	9.5
271.65652	2.1
285.13699	5.6
309.13879	2.9
411.17612	100.0
412.17773	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	411.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
55.01858	2.9
56.96552	2.0
57.03414	2.4
59.04990	0.7
59.65042	0.6
68.99788	1.2
69.03429	9.6
69.90805	3.9
70.06577	1.8
71.04987	4.7
72.08170	0.9
73.02916	0.9
81.03416	29.8
84.96051	0.8
85.02901	1.1
86.09689	1.9
87.00830	1.1
91.05476	2.7
95.04968	0.7
97.02901	0.8
98.97585	3.8
99.04445	7.5
105.07008	0.9
107.04935	1.9
116.04951	0.8
116.98608	3.2
117.05489	2.5
117.07003	0.7
118.06540	4.6
119.04926	1.0
120.08141	1.2
123.04448	2.2
124.03949	10.0
128.98608	1.8
134.99675	3.5
137.05962	1.6
139.03928	3.7
145.06528	1.1
145.07578	6.0
146.99660	1.3
147.04436	1.5
147.08124	0.7
147.09158	10.8
149.05989	0.7
150.97969	0.7
153.01773	0.7
158.99704	0.9
162.07858	1.5
163.03889	2.1
163.07507	0.8
163.08691	1.4
173.07118	11.1
175.08672	9.9
177.00676	1.5
185.04524	1.2
189.00742	1.0
189.10336	0.7
191.08154	100.0
192.08415	1.8
201.00806	0.9
203.02335	1.3
205.09703	1.0
213.10335	1.2
217.05069	0.8
219.01802	2.4
224.60089	0.7
233.09135	1.6
237.02832	6.3
259.05972	1.5
271.05981	1.9
271.10632	3.3
287.05655	0.7
289.07016	1.0
289.11795	6.5
307.04916	0.8
307.12845	19.3
325.13925	11.3
331.12885	3.7
343.07022	3.6
349.13992	3.9
366.08395	0.8
375.11844	13.9
393.12943	22.9
394.13239	1.1
411.06842	2.6
411.19846	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	411.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
68.57224	0.9
70.18498	2.6
70.18899	1.6
72.08163	1.6
74.47759	1.0
92.03031	1.0
111.74563	1.0
120.08081	1.7
133.06439	1.6
142.25243	1.0
162.02892	2.1
163.03857	9.2
167.18672	0.9
171.13458	1.0
173.03049	1.0
184.02147	2.1
202.03177	1.6
227.05304	2.8
229.99738	1.2
237.02750	1.7
241.05566	1.3
245.05063	1.0
271.04297	3.1
310.05319	3.8
325.08990	6.1
349.08997	1.7
367.10001	48.7
368.10577	1.7
411.08978	100.0
412.09448	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	0.2
58.68724	0.2
65.03925	0.3
66.90593	0.2
68.88938	0.2
68.99790	3.7
69.03423	0.3
69.57506	1.5
70.06567	0.3
72.08160	0.3
79.05489	0.5
80.34736	0.2
81.03407	0.3
84.08108	0.2
85.02897	0.5
86.09689	0.3
87.00791	0.3
91.05424	0.2
95.04951	0.7
97.02857	0.3
98.21561	0.4
98.97545	0.5
103.05406	0.2
107.04946	0.5
109.02863	0.3
110.07133	0.3
111.04443	0.6
116.98617	0.5
121.06459	0.2
123.04429	0.5
126.68392	0.2
127.03929	0.2
131.04910	0.6
131.85060	0.2
133.06468	0.4
134.99677	0.4
135.04425	0.5
163.03903	100.0
164.04239	1.6
175.07532	0.2
177.00760	0.4
185.80827	0.2
197.04088	0.2
201.05589	0.2
203.05229	0.5
241.92422	0.2
249.09650	0.3
259.05951	0.4
267.10892	0.2
291.05435	0.2
309.11896	0.3
411.11240	1.1
411.16827	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	411.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
55.01863	2.1
55.05500	2.8
57.03430	1.7
60.28290	1.8
61.02919	4.1
65.03944	1.6
66.96305	1.2
67.05492	5.8
68.99781	5.0
69.03424	5.2
69.07066	3.9
70.06578	1.6
71.58905	3.2
73.02914	1.9
77.37411	1.2
79.05500	10.8
81.03419	19.2
81.07076	8.0
83.04979	1.4
85.02913	16.5
85.06544	1.7
87.00349	1.5
87.00793	7.0
91.05491	6.6
93.07038	7.2
95.04980	11.0
95.08610	4.9
95.71743	1.2
97.02888	3.1
97.06538	3.0
100.11252	3.9
103.03943	12.6
105.01846	3.0
105.07017	4.1
105.47464	1.2
107.04962	17.3
107.08591	4.6
108.90445	1.1
109.02862	4.7
109.06518	2.9
109.10159	3.6
111.04430	1.8
111.43304	1.2
117.07019	4.5
119.04943	1.2
119.08557	6.2
121.06494	5.3
121.10135	2.5
123.04443	9.7
125.06017	7.4
127.03930	2.2
129.01816	5.8
129.07022	1.4
131.04918	1.4
131.08548	4.1
133.06480	2.0
133.10176	2.7
135.05472	1.3
135.08078	2.2
135.11736	2.6
137.05984	100.0
138.06291	2.1
143.08620	1.4
145.04973	1.4
145.06462	4.9
145.10136	4.2
146.07358	1.6
147.02888	3.1
147.04431	3.0
147.08073	1.5
147.11690	3.2
149.02347	5.3
149.05959	2.4
149.09618	5.2
150.02661	2.8
151.03961	6.4
151.07527	5.0
155.08594	2.0
157.10106	3.1
159.08084	1.5
159.11679	2.0
161.05977	2.8
161.09572	1.4
162.06816	1.7
163.03886	1.3
163.07617	7.0
163.08781	1.5
163.11278	2.2
165.05470	3.6
167.06955	2.5
171.02933	2.1
171.11557	1.4
173.05957	1.9
173.13281	2.5
174.06769	4.3
175.07529	4.2
175.11163	2.0
177.09109	13.3
179.07030	5.5
182.15428	1.6
187.07466	2.0
189.03935	4.7
190.06236	15.6
193.05013	7.0
194.05284	7.0
201.09157	2.8
203.06969	3.0
205.08609	47.7
206.08981	1.7
211.07356	1.6
217.08655	3.7
229.08632	2.9
231.17514	7.2
243.10153	4.2
247.09644	8.5
249.07513	1.7
271.09729	8.3
289.10745	1.9
337.07120	1.3
411.14536	16.3
411.19400	2.1
411.25061	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	410.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.01859	1.0
55.05520	4.3
57.03442	0.5
57.07076	0.8
64.24194	0.4
65.03948	0.8
66.99749	0.4
67.05509	3.5
69.03448	2.1
69.07068	9.7
69.44998	3.9
70.06577	0.7
71.04972	0.5
71.08603	0.5
73.06538	0.6
79.05497	2.2
81.03426	0.6
81.07062	3.5
82.06575	5.6
83.04978	0.7
83.08622	5.0
84.04510	3.0
84.08143	3.3
85.02902	0.9
85.06535	0.7
86.06068	3.0
91.05498	1.4
93.07048	3.0
95.04964	0.6
95.08606	2.2
96.08165	1.1
97.06535	2.8
97.10163	1.9
98.21478	0.9
102.09183	4.8
102.37691	0.5
105.07051	0.5
107.08606	2.7
108.08133	0.4
109.10164	1.4
110.06041	15.6
111.08075	1.3
117.07030	0.6
119.08612	0.5
121.10155	1.1
123.11720	0.4
124.07618	1.4
125.08392	2.4
125.09613	0.5
126.09203	0.5
127.03975	0.6
128.07082	45.3
131.08617	0.7
133.10121	0.5
138.09132	0.4
139.03897	0.4
141.09131	0.4
141.51543	0.5
149.02350	12.4
149.03372	0.6
149.13286	2.5
154.12265	1.5
159.11708	0.8
180.13826	6.2
193.04970	17.7
194.05307	0.5
195.13774	0.5
198.14909	11.6
238.17964	0.5
239.16415	0.9
257.17471	15.1
296.22214	2.8
314.23239	1.0
351.12421	0.6
410.29050	100.0
411.14633	1.0
411.29379	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81567	2.1
52.90691	1.7
55.05495	2.5
56.05041	2.3
57.07085	2.3
67.05498	13.9
69.07066	4.2
70.31956	8.2
71.16746	1.5
79.05482	4.6
81.07054	15.4
83.04970	1.9
83.06101	29.3
83.08609	3.3
83.81788	1.6
84.04504	81.5
91.05468	3.7
93.07033	4.9
94.27670	1.7
95.08611	9.6
101.07132	7.6
102.05554	3.4
105.07047	2.3
107.08605	4.9
109.10172	5.7
112.11243	2.7
121.10093	1.7
123.11729	3.2
129.06596	40.1
130.05002	100.0
135.11691	2.7
147.07649	33.4
163.14798	1.8
263.23761	6.3
275.77921	1.7
280.26334	2.1
324.15680	1.8
392.28226	2.1
431.44122	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76696	1.9
53.03959	2.8
55.05502	9.4
55.81930	2.0
56.96559	2.3
57.07066	2.7
65.76413	1.8
67.05502	16.9
69.07062	13.1
71.58844	3.0
79.05488	13.4
81.07053	29.1
83.08605	6.1
84.82607	1.9
89.88367	1.9
91.05481	14.7
93.07045	31.6
95.04936	3.7
95.08604	61.3
97.10174	3.3
99.08080	5.7
102.21552	2.0
105.07022	30.8
107.08589	39.6
109.10159	24.3
117.07020	6.3
119.08584	48.7
121.10146	25.5
123.11700	11.0
123.65883	1.9
129.06995	3.6
131.08563	24.3
133.10139	24.5
135.11681	20.7
137.13254	5.1
143.08498	6.1
145.10123	53.5
147.11690	17.4
149.02272	2.6
149.13316	11.5
157.10120	9.5
158.10791	3.0
159.11684	27.9
161.13266	16.6
163.14832	18.6
171.11606	5.2
172.12486	4.6
173.13245	22.4
175.14798	11.2
177.16370	6.0
179.14281	2.8
183.11708	2.4
185.13248	6.7
187.13135	4.9
187.14822	100.0
188.15187	2.6
189.16399	27.9
191.17960	10.8
193.04968	2.2
199.14803	5.8
201.16367	41.0
203.17883	10.2
213.16422	3.1
213.87050	2.5
215.17923	5.0
217.19446	3.9
221.18953	2.2
227.17894	7.5
229.19540	7.7
241.19548	3.7
255.37735	2.3
256.05890	2.4
269.22626	3.5
297.25620	2.5
337.28882	2.7
369.19492	2.8
391.33572	10.6
403.12054	2.3
407.89398	2.0
409.25269	6.2
409.34628	47.4
410.34842	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	409.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45291	0.8
53.03944	1.4
55.01867	7.1
55.05512	10.7
57.03432	4.1
57.07063	5.5
59.04989	1.2
59.85053	0.8
67.05499	19.8
69.03430	1.5
69.07064	15.8
69.94687	1.4
69.95090	4.4
71.04991	2.7
71.08651	5.2
77.12498	1.1
79.05488	11.5
81.07053	27.8
83.04974	3.4
83.08624	6.5
84.56877	0.8
85.06557	3.3
85.37807	1.4
90.93932	0.8
91.05471	7.9
93.07040	14.6
95.04960	16.0
95.08601	18.7
95.09174	1.6
97.06530	8.4
97.10196	1.1
98.20763	1.2
99.02698	1.2
99.08083	4.1
100.82922	0.9
105.07027	12.6
107.08582	12.6
109.06513	45.7
109.10150	8.6
111.08106	1.0
115.09125	0.8
117.07018	2.4
119.08567	11.8
121.06503	14.0
121.10126	6.4
123.08090	4.4
123.11713	3.1
125.09641	1.1
131.08575	6.5
133.10136	6.9
135.08072	4.4
135.11705	4.9
137.09633	2.1
143.08539	1.6
145.10107	8.4
147.11703	5.3
147.12712	0.9
147.77057	1.0
149.09669	1.9
149.13277	3.1
151.11238	1.0
157.10146	1.6
159.11685	4.3
161.13281	2.7
163.11180	9.7
165.12747	56.5
166.13075	1.8
169.81847	0.9
173.11710	1.0
175.14851	1.8
177.12720	1.5
179.14363	1.6
191.14293	4.2
199.14796	1.1
201.16473	1.6
219.17522	2.9
233.18832	1.0
239.48985	0.9
240.29639	0.8
249.18533	3.9
261.18533	4.5
275.20206	1.1
279.19543	3.6
289.25241	13.6
299.23688	2.2
317.24734	100.0
318.25128	3.3
320.29153	1.2
335.25797	18.6
335.29367	1.4
353.23236	1.3
373.27087	1.4
391.28519	3.5
409.29526	49.6
410.29886	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
55.01871	4.4
55.05510	10.8
57.03440	3.6
57.07067	5.8
60.84093	1.6
62.47803	1.4
63.46464	1.7
67.05504	20.7
69.03423	2.0
69.07074	11.9
69.78015	12.0
71.05000	1.8
71.08635	8.8
79.05492	10.3
81.07058	23.7
83.04987	2.9
83.08618	4.7
85.06548	3.0
91.05470	8.4
93.07025	15.4
94.52821	1.7
95.04969	23.2
95.08606	13.7
97.06535	5.6
98.20678	1.7
99.08101	5.6
100.19518	1.6
105.07034	13.5
107.08604	13.3
109.06522	38.0
109.10172	7.2
111.08099	1.8
117.07043	3.4
119.08595	10.0
121.06508	13.6
121.10152	3.7
123.08055	3.4
131.08585	6.8
133.10147	5.6
135.08047	4.1
135.11700	5.8
143.08560	3.6
145.10124	8.5
147.11684	3.5
155.08569	1.9
159.11708	5.4
163.11174	8.4
165.12758	89.5
175.14789	1.9
177.12650	2.0
179.14336	3.5
191.14336	6.5
197.13258	2.0
209.19054	2.5
219.17502	3.3
221.85793	1.5
261.18484	3.4
283.63925	1.6
289.25159	12.9
292.04767	1.7
299.23886	2.5
317.24765	100.0
318.25073	3.2
335.25775	6.5
375.25052	5.4
391.28766	3.3
409.29669	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79055	2.3
55.01860	4.4
55.05312	1.7
55.05511	18.1
57.03422	8.9
57.07082	10.2
65.03948	2.6
67.05173	3.1
67.05503	32.9
69.03437	2.4
69.07069	18.0
69.33167	21.2
71.04991	3.5
71.08610	12.6
71.65074	2.3
73.52149	2.5
77.73171	2.1
79.05490	20.3
81.07057	36.8
83.04978	2.6
83.08608	9.2
85.06546	4.6
89.69015	2.1
91.05473	15.5
93.07059	19.6
95.04973	19.0
95.08607	24.6
97.06500	8.6
97.10167	4.9
99.08099	10.8
105.07024	19.3
107.08584	16.5
109.06510	44.7
109.10165	17.4
119.08595	14.7
121.06517	13.5
121.07253	2.3
121.10137	10.7
123.08043	5.9
123.11681	5.3
131.08574	6.2
133.10109	6.1
135.07990	5.6
135.11685	8.1
145.10146	11.3
147.11653	6.9
149.09595	3.9
149.13206	5.3
156.02098	2.0
157.10121	2.9
159.11659	4.6
161.13228	4.2
163.11157	10.0
165.12750	89.0
166.13033	2.4
166.42180	2.3
173.11728	5.4
173.13191	2.7
175.11287	2.5
177.12802	5.0
184.47009	2.5
191.14340	5.9
201.16409	3.7
209.18958	9.9
219.17447	3.3
237.18356	2.6
279.19562	2.8
289.25278	24.6
307.26221	2.8
317.24734	100.0
318.24939	2.9
335.25812	33.3
336.26245	2.2
359.32315	2.1
373.27509	3.0
391.28564	11.6
409.29651	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2736
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03945	4.9
55.01854	3.4
55.05511	16.5
57.07069	7.2
57.48348	2.2
58.22599	1.8
59.04988	5.7
59.48663	2.0
65.03947	2.8
67.05505	28.5
69.03435	11.5
69.07059	9.3
70.84198	4.3
71.05006	2.9
79.05492	24.0
81.03406	2.2
81.07059	36.0
83.04983	6.3
83.08611	4.7
85.06549	6.6
89.06007	3.3
91.05477	44.0
93.07045	49.3
95.04967	54.0
95.08610	34.6
97.06525	13.8
100.39017	1.8
103.05437	5.2
104.24435	1.7
105.04523	2.8
105.07030	100.0
107.08603	22.5
109.06525	14.9
109.10149	20.7
111.08086	3.2
115.05470	2.8
117.07032	17.5
119.04942	2.1
119.08582	66.9
121.06495	16.5
121.10142	16.8
123.08069	25.0
123.11720	2.5
125.09538	1.7
128.06229	4.7
129.06993	8.8
130.07787	2.9
131.08580	27.1
132.09319	1.9
133.06477	6.6
133.10120	22.8
135.08060	17.6
135.11697	6.9
137.05984	2.2
137.09650	12.3
141.06990	7.6
142.07773	11.4
143.08559	24.3
144.09248	3.6
145.06516	5.0
145.10118	45.5
146.10803	2.0
147.08075	20.7
147.11679	39.4
149.09584	10.2
151.07542	31.8
151.11229	2.1
153.09030	2.5
155.08601	9.5
156.09341	7.5
157.10136	24.0
158.07321	3.6
158.10910	3.1
159.08092	9.7
159.11690	17.1
160.08818	2.9
161.09628	7.1
161.13237	5.3
163.11174	7.4
165.07024	2.8
165.09119	38.3
166.09378	2.3
167.08629	3.3
168.09370	4.8
169.10094	14.1
170.10756	4.2
171.11646	13.7
173.09628	5.6
173.11929	2.2
173.13290	8.0
174.10326	2.5
175.11169	22.7
175.14824	4.1
177.09116	6.1
181.10167	6.3
181.12253	5.2
182.11000	4.2
183.11691	11.8
185.13261	7.4
187.11174	4.8
187.14899	2.6
189.12733	8.2
191.14301	3.3
193.10190	2.9
195.11676	2.9
196.12451	3.0
197.13309	3.6
199.11250	4.0
199.14899	2.9
201.09012	2.3
201.12737	13.5
201.16312	4.2
203.14328	16.0
207.11989	3.0
207.13747	9.4
209.13362	3.9
209.15280	4.2
211.11189	2.8
211.14809	9.0
213.12723	3.1
215.14345	3.1
217.12260	2.1
219.13818	3.6
221.13359	2.7
221.15341	74.8
222.15605	2.2
223.14806	3.4
225.12854	2.7
229.15851	8.5
233.15410	5.6
234.16081	12.2
235.14906	2.1
239.14206	3.3
241.15805	3.0
247.14648	2.3
253.16109	2.0
271.87372	2.0
281.19043	2.4
286.19284	6.1
287.19952	9.6
300.20773	5.2
317.21310	2.4
329.21161	5.6
391.26270	9.0
409.27338	55.8
410.27579	2.8
417.13943	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22945	1.4
53.03929	5.1
55.01864	2.2
55.05307	1.4
55.05513	16.4
57.03409	2.4
57.07071	8.2
59.05000	2.3
60.52008	1.6
65.03949	1.5
67.05498	18.2
69.03419	8.7
69.07073	8.4
70.75817	1.5
70.76160	4.3
71.04981	1.4
73.80933	1.4
79.05491	20.7
81.03410	2.2
81.07058	31.7
83.04972	5.3
83.08647	1.8
85.06561	2.4
91.05479	34.6
93.07040	42.6
95.04966	51.9
95.08604	24.8
97.06527	6.0
103.05475	3.3
103.61633	1.4
105.07027	100.0
107.08581	21.4
109.06503	11.0
109.10140	9.4
115.05443	3.7
117.06995	11.5
119.04947	2.1
119.08577	58.1
120.09386	1.7
121.06488	16.7
121.10141	15.5
123.08082	13.7
123.11639	2.1
128.06223	2.9
129.06998	7.5
130.07780	4.2
131.08565	22.4
132.09332	2.4
133.06464	4.2
133.10129	17.9
135.08041	13.6
135.11690	3.5
137.05972	2.8
137.09584	7.0
141.06999	2.1
142.07759	12.1
143.08543	12.3
144.09277	2.8
145.06505	2.0
145.10117	34.1
146.10788	1.3
147.08022	20.4
147.11682	37.8
149.09628	12.1
151.07549	14.5
153.07089	1.9
153.09102	2.7
154.07779	1.8
155.08575	6.8
156.09392	2.1
157.10114	15.6
159.08017	5.7
159.11687	16.7
160.08871	2.0
161.09612	6.6
161.13278	4.3
163.11191	2.9
165.09093	32.7
167.08568	2.4
168.09354	3.9
169.10156	9.8
170.10899	1.4
171.11697	5.5
173.09627	3.9
173.13214	7.3
175.11188	25.3
175.12692	1.6
175.14764	1.6
177.09126	3.2
178.09987	2.4
181.10161	3.5
183.11656	9.7
185.13272	3.8
187.11198	2.6
189.12737	5.5
191.81216	1.3
193.10143	3.1
194.10887	1.8
196.12477	2.1
197.13188	3.9
199.11192	2.0
201.12712	11.8
203.14314	12.6
207.11806	2.0
207.13826	6.7
209.13347	1.8
209.15356	1.9
210.14178	1.4
211.14783	3.5
213.12651	2.7
215.14232	2.3
216.15091	2.4
219.13803	3.5
221.13167	1.9
221.15343	59.7
227.14276	2.3
229.15865	4.6
231.13779	3.9
233.15407	1.9
234.16121	14.9
261.40131	1.4
281.19006	2.0
286.19193	2.9
287.20059	6.7
300.20862	4.5
308.43307	1.5
323.32523	1.4
329.21136	5.9
391.26224	4.3
409.27271	28.2
409.38214	2.5
410.27771	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	1.8
53.03946	4.2
55.05514	18.1
57.03421	2.5
57.07069	5.6
59.05004	3.3
65.03943	4.3
67.05503	22.6
69.03431	6.3
69.07072	4.5
69.72839	11.1
71.04990	2.9
71.14929	1.5
79.05492	18.8
81.03423	2.1
81.07059	29.0
83.04980	5.1
85.62283	1.7
91.05482	36.8
93.07048	42.4
95.04972	48.8
95.08607	22.8
97.06545	6.1
99.69646	1.9
103.05480	3.3
104.06295	2.1
105.07034	100.0
107.08592	20.5
108.08877	2.1
109.06523	10.6
109.10167	9.2
111.08059	2.2
115.05414	2.6
116.88287	1.5
117.07035	13.1
119.08581	58.3
120.09341	2.0
121.06521	16.1
121.10152	14.7
123.08098	14.9
128.06224	5.3
129.06964	8.3
130.07828	4.5
131.08578	18.7
133.06490	5.4
133.10147	14.4
135.08098	13.5
135.11685	5.8
137.06039	2.5
137.09644	8.5
141.06976	3.4
142.07785	11.6
143.08560	14.4
144.09312	2.1
145.06508	2.2
145.10132	32.3
147.08054	19.0
147.11697	46.1
149.09601	11.6
151.07532	14.5
153.07019	2.7
153.09042	2.5
155.08528	4.8
156.09314	2.9
157.10144	15.5
159.08092	6.0
159.11690	11.6
161.09641	6.9
161.13159	3.5
162.48027	1.6
163.11235	3.0
165.09106	28.9
168.09335	2.4
169.10088	8.1
170.10857	3.3
171.11697	7.5
172.08815	2.1
173.09637	4.3
173.13252	6.5
174.10361	1.9
175.11191	28.7
177.09169	5.7
181.10201	3.8
183.11678	9.1
185.13261	4.0
187.11121	2.9
187.14873	2.4
189.12778	5.6
191.14371	1.9
195.11705	2.8
197.13251	2.6
199.11232	4.1
199.14821	2.0
201.12750	6.9
201.16408	1.8
203.14291	13.9
207.13843	7.9
207.93997	1.9
209.13394	1.7
209.15457	3.0
211.14812	4.9
215.14333	3.2
219.13799	3.1
221.13528	2.0
221.15367	53.6
222.15746	2.2
229.15839	4.2
231.13727	3.3
234.16165	16.3
243.13811	2.2
251.17972	2.0
275.35229	1.9
286.19275	4.4
287.20084	5.5
299.30072	2.0
300.20889	4.3
307.49576	2.1
312.21082	1.8
329.20905	3.6
341.13449	1.8
373.25653	2.1
389.40619	1.8
391.26099	3.2
409.27356	31.8
410.27188	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59519	0.3
55.05499	0.7
67.05511	2.4
69.07069	0.7
69.86697	2.0
79.05486	0.8
81.07042	1.4
83.08616	0.4
91.05488	0.9
91.84457	0.4
93.07041	1.1
93.48032	0.4
95.04982	0.4
95.08617	1.1
105.07027	0.5
107.08605	1.0
109.10162	1.6
119.08605	0.4
173.11743	0.6
177.12975	0.4
184.31200	0.4
295.15225	1.0
309.16891	0.5
409.25623	100.0
410.25922	4.6
430.42136	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.3
67.05500	5.0
71.00158	0.5
71.59016	0.6
77.08448	0.5
79.05487	1.7
81.03381	0.7
81.07051	2.0
83.08630	0.6
91.05491	1.1
93.07046	1.9
95.08598	1.4
107.08607	1.5
109.10167	3.1
113.76487	0.5
117.07017	0.5
119.08554	0.9
131.08546	0.7
135.11707	1.7
165.12805	0.5
173.11690	0.5
207.06577	0.6
225.88861	0.5
234.80164	0.5
295.15305	1.2
309.16733	0.9
317.24612	0.6
353.74429	0.5
409.25613	100.0
410.25952	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	409.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30029	0.3
61.33262	0.3
66.25785	0.3
71.50413	0.5
90.47960	0.3
101.53130	0.3
107.01086	0.4
113.78722	0.4
126.38960	0.3
131.00168	0.3
157.45239	0.3
164.32593	0.3
166.64284	0.3
169.08557	0.3
242.14403	0.4
247.12994	2.4
409.18320	100.0
410.18845	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27211	0.3
69.36098	1.4
69.36533	1.3
69.65378	0.2
76.67028	0.3
85.02905	0.3
107.01049	0.4
109.10164	0.5
110.58613	0.3
121.90487	0.3
122.33415	0.3
125.76015	0.3
163.03923	0.4
203.05257	0.3
208.89854	0.3
247.13049	3.5
262.66364	0.3
309.05603	0.3
409.18323	100.0
410.13705	0.6
410.18625	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	409.1855
Annotation	CHEBI:70176
Peak:m/z	Relative Intensity
53.03951	9.9
55.05513	7.3
56.96558	7.1
63.25179	3.6
67.05505	20.6
69.03430	48.6
69.07059	5.4
70.06583	6.3
72.08153	7.6
79.05469	12.3
81.03423	9.8
81.07054	20.7
83.04987	7.3
84.04479	11.7
84.08149	7.1
85.02905	12.9
86.09695	8.8
91.05486	25.4
93.07041	40.9
95.04962	50.2
95.08588	7.0
97.02892	19.3
97.19981	4.4
105.07030	48.4
106.10817	4.1
107.04932	4.2
107.08594	9.6
109.02873	8.7
109.06506	41.0
109.10188	4.2
111.04425	18.6
115.05457	5.0
116.67755	3.7
117.07001	10.0
118.08619	7.3
119.04924	7.9
119.08564	34.3
120.08110	13.2
121.06503	29.1
121.10128	9.4
123.04427	19.0
123.08019	11.4
127.03915	12.1
128.06198	6.9
128.12479	4.3
129.06969	5.5
131.08536	16.6
133.06488	12.1
133.10164	19.9
135.08017	11.1
136.07587	9.5
137.05988	10.2
141.06885	4.8
142.07765	10.7
143.08612	11.8
145.06453	5.6
145.10107	26.8
146.07317	5.1
147.04382	4.9
147.08057	19.4
147.11670	6.9
148.08800	6.1
149.09641	8.0
151.03949	5.7
151.07567	6.0
153.01823	12.4
155.75706	3.7
157.10114	27.5
158.07237	4.6
159.08066	19.3
159.11705	15.0
161.09583	43.8
163.07513	6.8
171.08058	4.9
172.08904	9.2
173.09621	12.2
173.13292	14.2
174.06688	4.7
175.07533	12.9
175.11203	16.0
177.09021	7.0
183.11694	11.4
185.09560	5.6
185.13268	5.3
187.11218	21.7
189.09177	10.6
193.08437	5.3
196.08888	6.3
201.12700	14.9
203.03343	5.0
203.10638	37.8
205.12265	7.3
211.11188	14.8
217.12236	8.9
219.13765	11.0
229.12224	16.0
229.24101	4.7
229.30023	4.6
245.04497	8.5
247.13277	100.0
257.04352	8.2
265.14331	17.2
273.11371	6.9
287.05597	16.4
325.13974	5.1
333.13275	15.9
409.09296	20.0
409.18512	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	409.183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56048	1.4
51.92379	1.2
55.01871	3.3
58.44960	1.2
65.03931	1.4
67.05507	1.6
68.99783	3.9
69.07063	11.0
70.06577	3.5
71.13506	2.8
72.08146	2.7
81.07070	2.9
82.06567	2.5
83.06864	1.5
84.08131	2.0
85.02900	1.9
86.09730	2.9
91.05473	1.9
93.07045	2.3
94.06531	1.4
95.04953	4.0
95.08617	2.1
97.06511	2.0
97.13328	1.3
112.07600	2.8
114.65308	1.6
119.08575	2.9
123.04421	5.4
129.10179	1.3
135.97488	1.4
140.07076	8.7
144.08156	1.5
145.06509	2.3
147.04402	1.5
149.05972	2.2
156.00822	1.3
168.06558	15.5
172.07657	1.3
173.05922	1.7
177.05522	1.7
179.07224	1.7
183.02873	6.5
187.05009	7.1
189.09076	1.7
191.07033	4.2
194.51320	1.3
197.07024	2.0
201.06540	5.4
203.03375	1.5
203.05194	2.7
211.05064	2.2
211.08618	3.0
213.57706	1.3
215.08130	8.8
225.06587	4.0
226.07381	2.4
228.12041	1.3
229.06126	5.3
229.09692	1.5
231.10188	2.3
233.09140	3.3
239.08139	9.6
241.06107	1.7
241.09796	2.0
243.07634	14.8
253.06079	2.1
254.06964	2.0
257.04727	2.1
257.09268	11.1
261.08707	8.0
267.07629	10.3
269.09158	2.8
271.07132	12.2
273.08630	3.1
285.08701	31.2
289.08194	22.7
295.07184	2.9
297.08728	5.7
303.09702	8.9
307.09259	9.3
313.08188	37.9
315.09769	13.1
317.07971	1.8
331.09229	44.7
332.09485	3.6
333.10751	12.3
341.07639	4.3
349.10297	48.4
350.10553	3.2
359.08740	10.1
363.10684	2.1
367.11255	7.1
377.09738	18.9
391.11368	20.2
406.32700	1.4
409.12195	19.5
409.18280	100.0
410.18484	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
65.03922	1.2
69.03438	0.7
69.07059	1.2
70.06587	3.1
71.57703	0.8
78.01928	0.7
81.03412	0.7
81.07048	0.9
82.06558	1.1
83.04976	0.9
84.08135	1.2
85.02899	1.0
86.09669	1.1
91.05469	1.2
93.03411	1.3
94.06554	0.9
95.04977	1.0
95.06939	0.8
97.02884	1.3
105.07066	0.8
119.04925	1.5
121.02882	3.5
123.04449	1.3
128.84433	0.7
131.08545	0.6
135.79979	0.7
139.03903	1.1
139.91324	0.6
145.06459	1.3
147.04507	0.7
161.02338	0.9
163.03929	0.9
179.03394	2.0
183.02916	1.4
191.07082	1.6
195.02885	1.2
199.91220	0.6
203.05209	0.9
207.02895	2.3
228.76529	0.7
243.07661	1.5
244.09769	0.8
247.05832	1.1
249.16853	0.7
267.06464	0.8
268.07440	2.1
271.07141	1.5
285.08734	2.4
289.08121	2.0
295.06061	8.0
296.06717	2.8
297.07593	3.3
303.09763	0.8
307.06067	2.7
313.08090	2.9
321.07516	0.9
325.07062	30.6
326.07367	1.3
331.09262	4.4
331.12943	1.9
335.09152	2.5
349.10373	3.4
377.09949	1.4
391.07718	1.2
391.64709	0.9
409.10486	9.6
409.18338	100.0
410.18695	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17069	1.0
55.01869	1.2
55.05513	1.4
66.66330	0.9
67.05496	1.4
68.99763	1.0
70.90553	2.5
70.90900	1.4
75.02979	0.9
81.07081	1.4
83.08605	2.9
84.04511	1.6
97.84727	1.0
105.07018	1.1
112.62226	1.0
116.01664	2.9
123.04427	7.3
132.57472	1.2
135.04517	1.2
137.05956	1.5
144.01164	1.2
147.04459	1.3
151.03879	2.9
159.08403	1.9
162.02190	4.3
163.02553	2.3
163.03928	1.1
175.03911	1.4
177.05533	1.2
187.03937	1.6
189.05476	1.8
193.04996	3.1
199.08702	2.4
203.03442	3.0
211.08655	6.9
212.09418	2.0
213.10258	4.2
215.11804	2.3
217.04865	1.3
217.09758	1.7
222.57515	1.1
224.09438	1.2
225.06654	1.2
225.10097	5.6
226.10860	1.1
227.08232	1.2
229.09790	3.4
239.08141	7.8
239.11861	3.3
240.08904	3.6
241.09669	5.1
242.10593	1.5
243.07625	2.2
243.11308	6.6
245.04404	3.8
252.08923	2.0
253.09692	6.2
254.10179	1.4
257.04459	4.6
257.09210	2.2
257.12869	2.0
259.05936	1.6
259.10892	3.8
262.11130	1.2
267.07574	2.5
267.11304	4.7
268.08560	7.4
269.09119	2.4
271.06024	2.6
271.10785	32.3
271.13770	1.5
272.11115	1.8
273.12335	1.8
275.10269	3.8
277.11813	3.5
281.08890	1.3
283.05838	3.2
285.08878	2.0
285.12326	4.0
287.05524	11.3
289.11801	3.1
295.10782	4.4
300.11005	2.3
303.13358	1.2
313.11841	7.4
317.11261	1.2
323.10315	9.6
327.13300	1.9
331.12762	1.5
335.12350	3.7
341.11343	15.8
345.14380	3.1
355.13004	5.4
359.12326	3.7
373.13971	12.2
391.15002	26.7
409.09698	7.8
409.16034	100.0
410.16129	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	409.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18963	1.2
53.30384	1.0
55.01867	2.1
56.89406	1.3
56.96562	1.9
57.03428	1.9
61.99427	1.3
67.05508	1.6
69.03400	3.3
69.07061	2.3
69.83179	8.6
71.01349	1.3
71.04984	2.3
71.28157	1.2
79.05485	2.1
80.79104	1.3
81.03407	3.6
81.07040	4.0
82.55762	1.4
85.02900	6.4
88.03309	1.2
91.05481	25.3
92.05831	1.8
93.07024	2.4
95.04979	2.2
97.02861	2.9
97.06496	3.9
98.20873	2.6
99.04459	1.7
103.05453	3.5
105.07015	3.5
107.04932	2.1
107.08586	1.6
109.06487	2.1
115.05435	3.8
116.06330	1.5
117.07001	5.0
123.04420	4.7
127.92027	1.2
128.06212	3.2
129.06993	4.8
131.04877	3.1
131.08545	2.2
133.06491	4.5
133.10071	1.7
137.05968	1.9
141.06999	2.1
143.08537	3.6
144.05664	2.3
145.06471	4.8
145.10120	4.5
146.71771	1.5
147.04337	2.6
149.05977	5.7
152.06245	2.2
153.06966	5.4
154.07729	1.6
155.08566	11.1
157.06488	2.2
158.07333	1.7
159.08026	3.6
160.05203	4.9
161.05974	14.2
163.07462	1.8
165.06985	4.7
166.07738	6.7
167.08533	10.3
169.06485	2.2
169.10088	2.0
170.13428	1.3
171.08060	2.3
171.11789	2.0
173.05962	15.0
173.09589	6.1
175.07509	6.8
177.05476	3.3
177.09093	2.0
179.08542	1.7
181.06447	7.1
181.10138	14.4
183.08040	9.7
185.05966	1.8
185.09587	5.7
186.06787	2.9
187.07559	6.2
188.08278	3.9
189.09137	7.9
191.06979	1.8
191.10593	2.0
194.07257	13.7
195.07976	7.1
195.11707	4.6
197.06041	1.7
197.09644	2.4
198.06703	3.2
199.07620	3.5
199.11148	4.8
201.09097	100.0
202.09486	3.9
205.10124	2.0
209.09622	49.4
210.10065	2.4
211.07668	2.2
211.09561	3.1
213.09082	2.9
215.07031	1.5
215.10699	3.2
218.45065	1.4
219.10144	20.2
223.11162	17.4
225.09096	19.9
225.12607	2.4
227.10654	46.1
229.00089	1.9
241.08780	1.8
241.12241	8.9
243.10193	3.5
245.11772	6.6
251.10637	6.0
257.04550	1.7
259.13260	1.9
269.11703	20.2
285.06467	1.6
287.12714	12.1
291.11639	1.8
292.11774	2.0
296.78781	1.5
355.03259	2.0
409.17783	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55008	1.9
53.03946	2.1
53.54241	1.7
53.71702	1.8
55.01870	2.2
56.96555	5.3
57.03430	4.7
59.04995	1.8
60.04518	2.8
61.02916	5.9
68.05045	2.0
69.03426	14.9
70.63937	6.8
71.03736	1.8
72.04509	2.8
73.02909	3.6
80.04993	3.2
81.03413	9.2
82.06570	4.0
84.04498	7.4
85.02908	26.4
86.06015	2.3
87.05610	3.5
95.06065	4.7
96.04494	4.6
97.02886	23.4
97.03884	2.1
98.04794	2.5
98.06025	4.3
98.97573	15.5
99.05560	4.9
103.05067	4.4
109.02848	3.8
110.06036	3.4
110.97552	2.0
111.05561	7.6
112.03924	2.2
114.05524	2.9
115.03931	4.1
116.98631	12.3
119.01924	2.9
121.07674	2.7
123.05537	7.0
124.06324	7.3
125.07104	15.0
126.05483	2.1
127.03895	7.9
127.04868	2.9
128.98613	3.0
132.06485	3.8
133.07607	5.3
134.99644	2.7
137.07086	6.9
139.05000	4.8
140.05791	2.4
141.06531	2.8
142.03746	4.5
143.00172	2.6
145.02827	4.3
145.05057	2.3
146.08064	2.5
146.99687	2.2
147.05559	3.1
149.07109	6.8
151.08646	7.4
153.01817	3.2
153.06587	16.7
158.99719	3.9
161.02988	3.1
161.07100	3.2
163.02684	2.9
164.05869	2.0
165.06636	4.3
167.08188	5.0
169.06096	5.6
177.00694	7.6
177.05370	3.7
179.08145	14.9
183.07858	2.0
185.09276	3.2
195.07651	10.6
197.09230	6.9
198.82269	2.2
199.07141	3.7
201.08737	2.8
213.06604	3.4
213.08667	26.8
214.09532	21.7
215.10277	28.9
216.10765	3.6
219.01802	2.9
221.03131	2.5
229.08252	3.4
233.02753	2.2
237.02829	6.4
247.09241	100.0
291.07568	4.0
309.08521	10.7
349.07425	2.4
375.13998	2.8
376.14603	5.1
409.14594	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.084
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	21.9
67.14635	2.5
69.03420	5.4
69.55604	11.9
69.56009	6.2
70.98121	2.4
75.36959	2.8
77.00891	5.2
78.53527	2.2
84.96037	2.3
85.02886	5.7
89.03936	12.7
91.05446	2.5
97.02834	4.6
98.97580	14.2
101.00875	9.5
101.53880	2.2
110.97556	2.7
113.00861	2.8
115.02460	2.8
116.98633	13.9
117.03379	33.7
119.00124	3.0
119.01925	61.2
119.02711	2.0
119.04918	4.3
128.98680	4.1
131.01923	21.2
133.03487	21.3
133.53087	3.1
134.03625	4.5
134.99658	12.6
137.02974	14.7
142.96526	3.5
143.01924	26.1
145.02678	61.5
146.99672	9.3
147.01355	3.3
147.04442	9.5
149.01233	3.9
149.02965	7.6
149.05956	8.8
151.04491	5.6
155.01884	10.1
157.03453	17.0
159.05057	3.3
160.20058	2.6
160.97589	7.5
161.01424	4.8
161.02957	50.2
163.04668	6.2
165.00731	5.1
168.99940	5.8
171.01376	8.1
171.05003	7.6
173.02934	30.2
174.99022	5.2
175.04527	10.7
177.00720	6.5
177.02332	3.8
177.05466	100.0
178.05818	4.1
179.02144	3.2
185.02965	13.0
187.00908	8.2
187.04453	12.5
188.97104	12.4
189.00848	4.8
189.02448	11.4
190.98697	2.9
191.04012	4.7
193.00269	13.0
197.00641	3.0
197.02968	12.3
199.00858	6.7
199.04518	3.1
201.02408	6.4
203.03972	11.1
205.03732	4.0
205.05699	4.2
206.98170	7.9
207.01872	4.7
211.01196	3.8
211.04541	5.1
213.02431	2.8
215.03903	5.5
217.01933	10.8
217.05486	3.2
220.02072	4.4
220.99681	5.2
221.02979	14.3
221.05101	7.7
222.03226	3.1
223.04584	5.8
227.04176	3.8
229.01945	3.5
229.05553	3.1
231.03484	7.8
233.03091	2.7
235.04501	18.1
235.06627	5.5
237.02823	6.7
238.03271	4.0
239.04022	7.6
239.06194	3.7
244.02153	3.5
245.05132	9.2
247.02913	4.8
249.04729	5.8
253.05360	3.3
253.07642	7.1
259.04614	9.0
259.06891	4.1
262.03256	7.6
263.06183	7.2
269.05237	4.9
275.02512	6.9
277.05377	9.1
277.07956	4.9
281.02002	4.1
281.05145	2.8
287.04047	3.7
288.98715	7.7
289.03952	17.0
291.03485	4.0
291.09149	3.6
293.05255	5.6
295.06299	14.0
301.03888	11.5
303.08990	13.2
307.05045	27.7
313.07693	4.1
316.98056	6.5
319.05106	11.1
321.01318	2.9
321.06790	4.7
321.10114	15.6
333.06720	4.1
347.08154	7.1
349.00430	2.9
349.04083	9.5
361.05627	2.8
365.09241	3.7
367.08707	3.3
377.05649	5.4
391.07565	9.1
409.09918	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	3.4
67.05502	5.3
69.03420	4.7
69.07059	6.9
69.97045	13.5
71.05003	20.5
73.71740	2.2
81.07052	8.0
83.90551	3.2
85.02890	4.0
91.05464	4.2
93.07030	6.6
95.08599	10.4
97.02915	3.4
97.06491	5.4
98.21388	4.5
99.04453	49.6
103.05433	2.9
105.07029	3.3
107.04967	2.9
107.08622	6.7
109.10165	5.9
113.09644	5.8
115.07558	2.9
116.98614	2.6
119.08601	5.4
121.06467	2.9
121.10194	3.3
125.09609	2.8
131.04874	2.4
133.10118	7.3
135.11667	15.2
151.14850	3.8
161.05884	4.1
175.14864	7.1
187.07681	2.7
193.15904	4.5
201.09122	3.1
211.16954	100.0
213.67206	2.4
247.09642	2.7
258.33920	2.5
266.21591	2.3
278.08234	2.8
299.05600	2.9
409.09189	3.3
409.16986	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	409.0627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.3
54.51241	1.5
56.96563	7.0
69.03443	1.6
71.57310	1.7
71.57681	1.9
71.79742	1.5
77.00911	3.0
81.03423	2.8
85.02913	3.4
86.67387	1.6
89.03918	10.6
91.05467	2.3
91.61153	1.4
92.78649	1.7
95.01932	2.2
97.02889	2.9
98.97597	5.3
100.54790	1.6
101.00895	6.9
105.35179	1.6
106.23841	1.6
109.02883	3.0
109.22855	1.4
115.02378	2.9
116.98615	5.1
117.03384	34.1
118.01130	1.9
119.01923	40.6
119.04922	2.5
121.01675	2.5
127.02374	1.8
127.04060	1.7
128.98587	1.7
131.01900	16.9
133.03484	13.5
134.03639	3.8
134.99675	4.6
135.03339	1.5
135.04382	3.6
137.02940	13.8
143.01917	14.5
145.02728	63.8
146.03178	1.8
146.99603	3.5
147.01414	2.4
147.03297	2.6
147.04277	8.1
147.60983	1.4
149.02937	3.8
149.05945	10.1
151.04578	2.9
153.04312	1.8
155.01904	9.2
157.03450	14.6
159.05119	2.4
161.01570	2.2
161.02965	35.9
162.03093	2.1
163.02724	2.0
163.03990	6.6
165.00789	1.6
167.01947	3.0
168.99886	2.0
169.03456	2.8
171.01440	3.0
171.05034	2.0
173.02995	17.7
175.04498	11.4
177.05476	100.0
178.05742	1.9
179.04022	2.3
183.01431	2.4
183.05077	2.2
184.02174	1.4
185.02966	10.7
187.00926	3.8
187.03011	1.8
187.04509	8.5
188.97084	2.1
189.00816	1.9
189.02461	6.8
189.06021	1.9
190.98654	2.6
191.04024	3.8
192.02734	2.4
193.00255	2.7
193.03479	1.8
197.02954	7.3
199.00858	3.2
199.03900	2.6
201.02409	3.2
201.06044	2.6
203.03992	7.7
205.03662	2.7
206.98190	2.0
211.04619	2.4
213.02460	2.7
215.00337	3.8
215.04004	2.3
217.01924	7.3
217.05536	2.4
220.02101	5.0
221.02962	15.0
221.05112	6.8
223.04575	2.7
227.04060	2.7
231.03552	2.9
233.02986	3.6
235.04497	17.5
235.06664	5.1
238.03136	4.9
239.04094	3.5
239.06253	2.8
245.05032	5.3
247.04306	5.9
253.05531	4.8
253.07779	6.0
259.04761	7.9
259.06830	2.3
262.03189	7.5
263.06192	3.3
275.02527	2.5
277.05060	9.1
277.08203	8.4
281.01877	1.9
287.03952	5.3
289.03940	8.4
293.04971	4.2
295.06549	10.3
295.08893	9.9
301.04129	4.7
303.09000	9.3
307.05011	16.4
313.07663	2.8
319.05270	4.9
321.10239	11.3
329.06918	2.4
330.07074	2.2
333.06595	1.9
347.08234	4.8
349.04065	6.0
349.07742	3.2
365.09229	3.5
367.08807	1.9
391.06866	2.3
409.08640	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	408.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08030	1.1
51.43624	1.2
55.05512	31.6
56.05029	2.6
58.99583	17.3
69.76891	9.4
73.01140	1.7
76.02219	8.0
76.04008	4.3
79.05477	2.2
81.07050	4.8
83.06116	3.7
83.08619	42.7
84.04046	1.7
84.04507	21.5
85.01167	1.4
86.09711	3.4
86.99052	11.0
88.02207	3.1
92.86066	1.4
94.25358	1.4
99.05571	1.8
101.09664	3.1
102.05526	1.5
104.59348	1.3
116.01679	57.3
120.08131	4.8
125.69563	1.4
129.06573	3.6
129.07419	1.8
130.04977	6.2
132.06396	1.4
137.05983	1.6
142.03232	4.3
144.01146	29.1
145.06114	3.0
151.03906	1.3
159.08394	40.4
160.85561	1.3
162.02206	100.0
164.01755	3.2
167.92003	1.3
176.11066	3.9
199.63004	1.4
218.78812	1.3
244.10049	1.7
244.81810	1.3
260.11533	1.6
261.10638	7.1
262.11090	48.4
279.13687	16.5
279.16245	1.7
306.38654	1.4
333.14822	9.8
399.12125	1.4
408.17905	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	408.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	12.0
57.57479	7.8
59.74272	7.9
63.17284	9.0
67.05485	19.3
69.03391	13.8
69.07059	12.4
70.14709	24.8
70.15105	15.8
74.01832	8.7
79.06799	9.2
81.07034	29.6
85.02908	19.1
91.05477	100.0
93.07037	12.9
95.08598	32.3
97.02894	11.9
97.06498	16.0
109.10164	17.0
122.09630	17.2
123.08087	14.7
133.10052	16.7
135.11670	12.7
140.10678	24.2
155.08530	11.2
159.42834	8.5
161.06004	14.2
165.06987	8.9
167.08586	14.7
173.05940	16.7
175.14818	22.7
177.05415	10.0
181.10135	22.8
193.15895	21.1
194.07127	13.9
197.05943	9.4
201.09122	92.3
209.09589	28.3
211.16925	48.7
219.10289	13.6
223.11189	16.5
225.09074	24.0
227.10658	32.3
269.11710	20.7
285.06744	11.0
291.11563	19.9
317.79474	9.3
338.01248	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	408.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74700	0.9
56.62600	0.9
57.03433	1.4
60.41171	0.9
64.59901	1.0
69.61800	1.0
70.06593	95.1
70.97428	2.9
71.06920	1.5
85.02898	3.0
90.95656	1.0
93.55943	0.9
99.94466	1.0
103.03954	1.1
105.62774	0.9
112.07606	83.3
113.02358	1.7
122.96248	1.0
140.07068	17.8
141.01862	1.4
142.21577	1.1
158.08096	3.4
163.73247	1.0
172.09644	2.4
214.10741	100.0
215.10992	1.5
232.11861	5.3
390.13809	3.1
406.28256	1.1
408.15845	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80745	0.8
55.05511	33.7
56.05021	1.1
57.98800	1.1
58.99585	17.9
60.12349	1.0
61.01147	1.1
61.34125	1.0
71.33533	2.1
73.01134	2.1
73.05806	0.9
76.02233	6.7
76.04013	4.2
77.13831	0.9
80.05023	1.0
81.07064	1.6
83.06099	3.2
83.08617	46.1
84.04501	24.6
84.08975	0.9
86.99052	13.2
88.02230	4.3
98.09671	1.0
99.05570	1.5
101.09615	2.1
104.04765	1.0
115.05799	1.3
115.63969	0.8
116.01675	61.7
124.30952	0.8
129.06575	4.5
129.07423	1.9
129.90356	0.9
130.05002	6.1
133.95515	1.1
141.07336	1.4
142.03177	4.3
144.01146	28.8
145.06049	2.2
159.08392	30.3
162.02200	100.0
163.02582	1.4
170.02704	1.0
176.11070	2.4
187.08029	1.1
190.43623	0.8
205.08971	2.1
213.10342	1.0
244.10031	1.1
245.06200	1.0
248.44467	1.2
261.10788	2.8
262.11084	48.9
279.13733	14.2
333.14740	14.5
345.14441	1.0
348.31781	0.9
407.32043	1.0
408.18048	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3671
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
55.05505	15.5
57.07071	8.5
65.03937	2.0
67.05177	2.1
67.05508	27.4
68.37296	1.6
69.07066	34.5
69.54050	1.9
69.62661	3.5
69.63068	9.3
71.08638	2.8
79.05485	10.5
81.07052	62.2
83.08604	12.9
87.72073	1.8
91.05486	10.3
93.07037	31.0
95.08604	94.4
97.10168	6.9
105.07031	31.4
107.08590	46.9
109.10150	52.9
111.11726	6.9
117.07014	4.7
119.08576	36.0
121.10141	41.2
123.11698	31.8
129.07024	3.4
131.08549	12.5
133.10129	34.3
135.11685	24.4
137.13255	22.8
140.88049	1.7
143.08559	6.1
145.10121	16.4
147.11682	21.5
149.13263	17.6
151.14810	2.1
157.00345	2.2
157.10132	8.5
158.10809	3.7
159.11670	20.6
161.13242	20.6
163.03819	2.0
163.14784	15.2
171.11696	6.1
173.13257	14.8
175.14813	12.2
177.16377	18.7
185.13277	6.1
187.14825	11.2
189.16405	19.8
191.17938	18.3
199.14848	5.2
201.16379	23.9
203.17946	31.1
205.19537	8.7
213.16380	5.3
215.17931	16.8
217.19516	19.1
219.21182	3.4
227.17955	7.6
229.19513	13.8
231.20972	9.3
241.19524	8.6
243.21126	7.6
245.22545	3.3
255.20996	15.3
257.22705	11.8
269.22693	17.6
271.24164	4.5
275.03275	1.9
283.24191	7.6
297.25571	4.1
337.28748	2.0
407.24423	11.9
407.36703	100.0
408.37067	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	407.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95836	0.8
55.05520	0.9
57.07073	1.0
67.05480	0.7
69.07061	1.1
69.39225	0.6
70.06583	1.7
70.12946	4.1
81.07043	3.2
91.05452	0.8
93.07034	1.2
95.08598	4.3
105.07061	1.7
107.08572	1.5
109.10143	2.8
119.08585	1.7
121.10162	1.3
123.11721	0.9
133.10115	1.6
147.11652	1.1
161.13284	0.9
176.12846	1.6
176.90758	0.9
191.18019	0.9
203.17935	0.8
212.59274	0.8
255.21057	1.1
257.26620	0.8
269.22662	0.8
278.94092	0.8
285.10394	0.8
321.16776	5.4
407.24030	100.0
407.35526	13.9
408.24399	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.6
57.03432	5.7
57.07073	7.3
62.61189	0.6
67.05509	2.1
69.07059	1.2
69.94676	0.5
69.95054	3.7
70.75867	0.5
71.08629	4.1
81.07051	2.3
83.08625	1.7
85.10192	2.4
95.08620	3.2
97.10153	1.3
109.10157	1.3
113.00014	100.0
123.11717	1.0
128.79782	0.7
131.01062	1.3
154.02599	0.5
169.02605	99.9
206.13884	0.6
261.50845	0.7
268.65262	0.7
319.32932	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.8
57.03433	5.4
57.07073	7.2
66.40079	0.5
67.05504	2.9
68.18377	0.5
69.07062	1.4
70.76875	1.3
71.08634	4.8
81.07070	3.4
83.08604	2.3
85.10169	2.6
93.07025	1.0
95.08603	5.5
97.10151	1.0
98.98450	1.3
109.10155	1.6
113.00018	100.0
123.11698	1.0
131.01047	1.1
135.98335	0.5
136.22577	0.5
139.01614	0.7
154.02635	0.9
155.00990	0.8
169.02615	88.5
170.02966	0.6
239.23698	0.6
242.46278	0.5
270.94061	0.5
280.52429	0.5
347.36630	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3671
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.44843	6.5
54.33419	6.6
55.05495	16.3
55.88662	7.6
66.49391	7.0
66.76776	7.6
67.05500	24.5
68.86183	6.3
69.07076	55.3
70.62312	7.0
70.90910	17.9
72.15212	6.6
75.08615	8.1
75.11934	6.3
75.44005	6.7
76.04852	7.5
79.05480	13.4
81.07058	91.9
81.26303	7.6
82.06532	6.3
83.08622	10.2
89.06004	9.6
91.05500	7.7
93.07037	27.1
95.08608	70.0
97.10157	8.6
99.95010	7.3
105.07010	26.2
107.08591	33.7
109.10174	54.6
113.00019	8.6
119.08566	33.3
119.39890	7.1
121.10136	24.9
123.11713	23.5
131.08583	9.1
133.10149	16.7
135.11703	18.2
143.08508	10.4
145.10117	20.7
147.11697	13.9
149.13210	11.4
157.10182	12.2
159.11697	21.2
161.13330	8.6
163.14847	9.6
171.11722	10.0
173.13306	25.8
175.14877	12.9
179.42592	9.4
185.13405	9.7
187.14865	13.4
193.74365	7.5
199.14876	12.5
203.17845	9.3
227.17989	9.8
229.19531	9.3
283.24564	7.6
297.25668	9.1
407.36786	100.0
413.23193	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	407.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19558	1.3
64.22843	1.3
69.07070	1.9
70.06578	2.8
70.65005	3.5
79.05492	1.7
80.42850	1.2
81.03400	1.4
84.08115	1.6
85.02889	2.5
89.03873	2.1
94.06547	1.5
95.04928	2.5
95.08596	1.5
97.06575	1.6
108.04453	2.4
120.04450	5.5
135.04344	1.6
138.05496	5.2
145.02867	1.4
148.04002	2.1
152.07007	3.5
154.04996	1.9
159.07970	1.3
163.03882	4.8
164.04240	2.8
165.04395	1.5
167.07013	5.2
178.05023	7.6
188.03415	10.0
192.06558	2.5
196.06047	7.6
196.07581	1.8
199.08670	5.0
206.04523	5.0
211.08664	4.2
213.10332	2.0
217.08423	1.7
223.08627	5.8
224.07079	2.3
224.09232	2.5
225.10101	3.1
227.08199	20.7
227.15955	1.5
236.09438	2.2
237.10199	13.6
238.08673	3.1
238.10983	1.7
239.11761	6.1
241.09653	19.1
245.09235	4.4
251.08138	16.1
252.06438	2.2
253.09749	1.8
254.08005	2.6
254.10449	2.0
255.07579	10.2
255.11269	3.5
265.09720	20.6
266.08078	4.6
266.10538	3.6
267.11301	5.6
268.09476	2.1
269.09201	40.7
270.09424	1.8
273.08725	14.5
274.09106	2.0
279.07678	21.7
280.08463	3.5
283.10654	10.1
284.09094	5.7
285.12228	2.9
286.10663	3.1
287.10153	3.4
293.09195	25.3
295.10696	3.2
297.08701	58.8
297.11948	2.2
298.09271	3.1
302.10175	2.5
311.10208	9.1
312.08493	2.7
313.11884	7.3
314.10025	3.4
315.09744	33.3
316.10175	2.6
321.08707	11.8
325.11765	8.7
329.11325	7.7
330.09637	2.2
331.12738	1.9
332.11246	2.0
333.10806	26.5
339.09769	41.2
340.08548	1.9
343.12891	12.3
347.12198	1.9
353.11487	1.8
357.10794	18.7
358.09338	2.4
371.12347	24.2
375.11887	4.7
389.13406	100.0
390.12225	4.7
407.08545	1.5
407.14276	2.6
432.55453	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	23.9
58.14868	20.6
58.56472	22.2
67.05498	25.7
69.78394	52.0
69.78806	100.0
78.41322	21.6
81.07035	24.5
89.58224	24.8
90.81223	26.0
91.05468	30.9
95.08615	46.4
101.35880	24.6
193.55167	30.1
355.97141	27.2
389.23315	25.4
407.23575	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	406.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	26.0
59.82387	3.0
60.45039	2.6
67.05505	8.2
69.03424	8.3
69.07057	3.6
69.40392	8.0
69.40815	23.0
79.05490	3.9
81.07044	10.5
83.04982	24.5
83.08642	17.6
85.02898	5.6
85.06541	4.2
91.05474	3.2
93.07050	8.6
95.04966	4.7
95.08586	4.3
105.07014	3.3
107.08578	9.7
109.06521	5.1
109.10159	11.5
111.08060	6.3
121.10125	8.6
123.11684	10.0
125.09600	4.5
127.03918	4.4
133.10120	10.3
135.08066	3.3
135.11687	4.3
137.06000	4.5
144.57448	2.7
147.11684	6.5
151.11188	25.6
151.77570	2.9
162.78098	3.5
165.12663	3.3
167.14302	34.7
173.13286	6.6
176.08383	5.4
177.08711	4.3
191.14377	3.9
200.00592	3.0
207.10342	4.2
209.15382	100.0
210.15892	3.2
269.85699	3.0
406.18207	4.5
410.55222	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	20.4
67.05502	10.8
69.03423	11.0
69.72485	38.7
81.07052	12.9
83.04967	23.3
83.08620	18.1
85.02908	12.3
86.09708	10.0
93.07037	11.9
95.04940	14.9
95.08599	7.2
97.02888	7.7
99.04434	7.8
100.07607	45.5
102.36107	7.0
107.08604	14.6
109.10152	8.4
112.26376	5.7
119.08549	9.0
121.10119	9.5
125.09628	10.7
135.08066	10.2
136.03784	6.5
151.11163	28.1
160.09679	7.6
167.01614	17.4
167.14323	38.1
209.15359	100.0
227.07925	6.3
269.09009	7.3
297.08478	9.0
333.10623	7.4
339.09943	6.4
389.13354	18.3
405.59082	6.7
406.17749	11.5
406.24420	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	406.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.6
55.01854	2.7
55.05505	8.9
57.03428	3.4
57.07069	9.3
59.05006	2.6
61.02948	1.6
61.63931	1.5
67.05502	6.9
69.03422	6.9
69.07068	11.7
70.06609	9.0
71.04980	1.9
71.12348	3.8
72.08131	2.2
79.05491	19.3
81.03442	4.0
81.07055	60.8
83.04980	36.4
83.08606	12.1
84.04511	5.7
85.02892	16.9
85.06541	2.2
91.05444	8.7
93.07029	18.0
95.04944	6.9
95.08604	16.6
97.02872	5.0
97.06531	9.4
99.04450	2.6
105.07043	8.0
107.08591	42.3
109.02914	2.7
109.06512	67.8
109.10161	13.0
111.08081	7.7
113.09656	2.8
119.08592	6.0
120.08109	2.9
121.02850	1.8
121.10138	73.3
123.04470	2.7
123.08090	3.1
123.11723	11.0
125.09624	14.8
127.03946	6.2
128.06328	1.7
131.08542	5.1
133.10153	9.6
135.04448	1.8
135.08054	11.3
135.11682	6.4
137.05956	1.9
137.13257	10.0
139.11179	2.4
140.20758	1.9
141.07036	2.2
141.09096	2.1
143.08568	2.4
145.04951	4.3
147.04510	2.2
147.11728	3.4
149.13257	18.3
151.11188	5.0
153.01654	1.8
153.09109	19.6
161.09767	1.8
163.03931	5.5
163.14827	34.4
164.04263	4.6
167.07051	6.0
167.14354	10.9
168.07324	3.3
173.09651	2.0
173.13228	6.8
173.93024	1.8
177.05484	2.1
181.15849	18.9
184.45177	1.6
188.03566	2.0
189.09175	2.2
191.14304	16.5
196.05997	2.0
209.15359	100.0
210.15633	2.7
215.06874	2.8
215.10454	2.7
217.08496	3.4
227.16393	2.2
243.10100	3.1
244.09546	2.8
257.11951	2.4
259.11169	3.0
269.09317	3.7
273.08865	2.0
297.08725	4.9
303.12189	4.1
315.09692	3.7
339.09848	4.1
357.10663	2.7
371.12463	2.7
388.23337	2.0
389.13205	7.6
407.13907	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	406.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83162	3.0
55.05510	17.0
57.03436	5.5
57.07082	7.2
64.90691	3.4
67.05501	10.1
69.03432	10.3
69.07063	9.8
69.98103	6.2
69.98514	12.9
70.06611	4.9
75.91850	3.6
79.05489	17.0
81.07064	52.1
83.04987	31.3
83.08621	12.6
85.02905	18.4
91.05480	6.5
93.07057	22.3
95.08620	12.4
97.02888	6.4
97.06533	10.1
98.20844	5.0
98.97595	9.9
105.07032	12.0
107.08587	32.3
109.06520	59.7
109.10185	19.2
111.08073	8.1
119.08579	8.7
121.10139	53.6
123.08077	7.3
123.11744	9.5
125.09628	16.3
133.10126	13.5
134.99731	4.8
135.08049	9.9
135.11708	4.4
137.13182	5.0
139.11172	5.6
140.05713	3.7
145.04964	5.1
147.11703	4.8
149.13249	16.6
151.11189	13.9
153.09142	16.5
163.03886	5.3
163.14827	27.7
167.14294	25.4
173.13234	14.7
178.07870	3.7
181.15921	10.9
191.14339	13.4
204.08194	3.7
209.15370	100.0
237.02824	3.9
259.11075	5.5
300.53583	3.7
366.88870	4.4
406.17584	15.3
407.17990	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	406.207
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	3.1
69.59768	8.9
74.64445	1.2
75.81236	1.2
79.05504	1.3
81.03416	2.0
85.02898	9.5
86.09698	1.3
91.05471	2.5
91.23861	1.1
91.25415	1.2
93.07044	1.5
97.02879	2.8
98.20747	2.5
100.66621	1.4
107.04904	2.4
109.02871	2.0
110.03642	1.3
121.06486	3.3
121.82639	1.3
133.10141	2.6
135.08073	2.1
136.05171	1.5
137.05974	3.1
147.04457	1.8
147.08051	4.5
148.05180	5.6
151.07529	3.8
153.05435	1.9
163.07568	5.7
165.05504	3.0
166.06261	12.1
168.07819	7.2
177.09140	3.1
178.09904	32.0
179.07040	4.8
179.10567	3.5
181.08594	84.8
189.52303	1.3
194.09407	15.4
195.10176	1.9
195.41747	1.3
209.11732	41.2
210.11919	1.4
212.10574	1.5
213.93803	1.3
227.12776	100.0
228.13162	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	406.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63779	4.3
53.03946	5.1
55.05514	20.5
56.99754	3.7
57.03422	12.7
67.05480	5.3
69.03423	16.3
69.07048	7.0
70.06564	8.8
71.57812	6.6
77.33342	4.1
79.05484	11.9
80.47083	4.0
81.03410	7.9
81.07044	13.8
82.06564	4.6
83.04968	9.9
83.08614	14.1
83.96672	4.0
85.02888	20.9
85.06501	6.4
86.09705	6.4
91.05465	5.7
93.07038	12.6
95.04959	12.6
95.08608	10.4
97.02871	6.4
97.06512	8.3
107.04961	7.0
107.08575	17.3
109.02925	5.1
109.06487	6.6
109.10132	15.6
119.08577	4.8
121.06531	7.0
121.10123	18.4
123.08072	7.4
123.11709	8.5
127.03879	6.4
127.07575	5.3
131.08548	4.7
133.10130	6.5
135.11612	5.1
137.05978	9.4
137.09604	5.2
147.04405	6.2
149.13284	6.5
151.11177	29.9
154.12260	4.4
161.05959	5.3
163.07475	4.8
163.14824	11.0
167.07034	9.4
167.14293	26.6
181.12114	6.8
191.14333	12.8
209.15347	100.0
215.08014	3.9
217.08540	12.1
218.40121	4.3
227.16411	18.3
233.36209	4.2
243.07640	17.6
243.10094	9.1
244.07925	31.8
244.15366	5.4
251.08316	5.0
269.09210	8.4
293.09283	4.9
297.08636	14.8
315.09689	5.2
357.10770	9.6
361.04065	6.0
371.11948	5.3
388.14713	4.6
389.13388	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	406.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
60.49365	4.6
69.96120	29.4
79.50894	4.7
81.03435	9.4
84.08140	100.0
85.02911	18.3
87.00830	5.0
91.20894	4.6
97.02897	10.6
98.21536	5.2
109.02885	14.0
112.05093	11.0
119.01939	22.7
127.03902	5.3
137.03053	6.2
143.01883	10.9
145.03485	16.1
153.01833	12.9
157.03523	5.1
161.02991	21.5
169.03526	8.2
173.02962	17.7
175.04543	9.1
182.24043	4.9
184.08221	9.0
187.04492	9.3
188.04675	8.3
203.04057	8.6
211.00961	6.6
212.01126	16.8
212.07646	32.1
213.00700	6.6
215.41005	7.3
221.05115	8.6
230.08742	85.3
248.09898	9.8
277.07730	46.8
295.08817	10.4
301.11072	9.1
346.01175	6.3
346.13574	21.9
364.14404	9.7
365.01590	7.6
367.71698	5.4
415.64969	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	406.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.4
55.05512	2.4
56.05040	6.6
57.03426	5.1
58.99582	13.4
68.05027	2.4
69.07066	2.5
69.29541	11.4
70.06582	1.1
73.01149	2.2
74.00665	2.3
76.02227	19.3
76.03991	1.9
78.12617	1.2
79.05489	5.5
81.06593	1.3
81.07058	20.0
83.06071	2.5
84.04504	28.4
85.01137	4.5
85.02901	1.9
86.00669	5.3
86.99051	6.6
87.02694	6.2
87.90408	1.0
88.02222	1.5
94.06600	1.2
95.08606	4.3
96.08138	1.3
97.01114	1.5
97.02985	1.2
97.06512	2.4
98.09709	11.1
99.08087	5.1
102.05553	6.3
105.07052	2.5
108.08166	1.0
110.09637	1.8
112.03979	4.3
113.04231	6.6
115.05823	1.1
116.01677	22.9
122.09663	2.1
123.08050	1.7
129.06616	3.0
130.04996	8.6
130.06876	4.5
130.08687	1.2
131.08583	1.5
139.05785	2.2
142.03246	1.4
143.02718	1.6
144.01138	8.4
145.06003	1.3
149.09682	1.1
156.08418	17.7
156.10187	11.7
157.06801	8.2
162.02208	22.4
167.07059	17.9
170.02699	1.4
170.31335	1.1
174.09503	13.9
179.04874	9.0
185.41238	1.2
209.08147	4.5
209.11694	2.0
210.11240	4.3
216.06909	6.1
227.09114	5.6
233.05913	2.6
239.89500	1.1
247.21329	1.3
259.11121	100.0
260.11572	2.3
268.49591	1.1
285.12656	1.5
313.12244	4.0
331.13043	6.2
352.30475	1.1
358.62100	1.0
391.97778	1.1
406.16306	2.2
412.72284	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.1
55.01855	10.9
55.85486	4.2
56.96562	8.4
57.03427	11.0
61.02917	9.8
62.65788	4.8
69.03426	36.7
69.61804	4.7
71.05035	5.1
71.29853	4.6
71.57473	5.7
71.57884	8.4
73.02905	12.4
81.03405	32.6
84.21638	4.8
85.02901	100.0
87.00823	21.1
97.02893	37.2
98.69818	4.3
99.04434	13.7
103.03895	6.7
105.01850	23.4
108.04499	5.4
109.02879	62.4
123.04438	5.5
127.03912	59.8
129.01881	6.7
137.14513	5.1
141.05482	14.3
145.04984	27.8
155.01570	44.5
159.02870	23.4
165.05478	11.6
167.07050	9.8
177.05452	7.3
179.07050	5.6
181.43768	4.9
189.03969	11.7
203.07092	9.0
207.06540	6.8
227.03703	8.2
231.04927	8.8
244.06369	14.3
249.07643	9.0
254.01068	6.1
259.10907	4.9
269.03452	9.5
277.50159	4.9
283.04779	6.9
287.04416	13.9
308.19879	5.4
351.83472	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	406.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.0
55.01864	9.1
56.06413	2.7
56.96557	3.5
57.03459	6.1
58.64577	2.7
58.73809	2.8
61.02923	6.1
61.03935	2.8
68.99789	4.4
69.03433	26.6
69.57013	6.3
69.57425	18.2
70.06590	6.3
71.04986	5.1
73.02920	10.9
79.05474	4.5
81.03419	31.1
85.02909	100.0
87.00817	24.4
91.03936	4.4
97.02904	36.4
98.21484	5.3
99.04453	17.2
103.03979	4.9
105.01868	31.1
107.04982	4.2
108.04475	8.4
109.02870	40.9
113.74694	3.1
116.98631	3.3
121.06523	3.2
123.04456	4.6
126.05539	5.5
127.03917	70.4
129.01857	6.2
133.02798	3.7
137.06009	4.7
140.06970	3.3
141.05482	6.3
145.04955	42.1
147.04456	3.7
149.06001	5.5
150.88066	3.5
151.03865	3.2
151.07484	3.1
153.01758	3.7
159.02908	25.3
161.05951	2.9
163.03960	4.6
165.05457	13.1
167.07100	7.5
177.03990	3.7
177.05463	5.5
181.08636	6.1
189.03940	9.3
191.07085	2.7
207.06540	11.2
209.08235	3.7
230.06744	2.9
231.05017	12.3
231.06860	4.9
237.06566	3.0
249.07584	12.3
269.03134	3.5
287.04434	5.6
317.15717	3.7
376.47656	3.2
406.14789	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	405.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35726	0.5
55.01868	0.5
55.05497	0.5
57.03418	0.6
57.05798	0.6
61.02920	1.5
68.05029	0.7
69.03436	2.9
70.06576	1.1
71.14107	1.3
72.08153	0.7
72.90543	0.4
73.02898	0.8
73.07310	0.5
81.03398	2.0
81.04542	0.6
81.07052	0.7
82.06571	0.5
83.04978	0.8
85.02901	6.8
86.09682	0.5
90.62026	0.4
91.05458	0.6
93.07018	0.7
94.06554	0.5
95.04967	1.0
95.06092	1.4
97.02859	2.1
100.07587	0.8
102.69463	0.5
107.08597	0.5
109.02866	0.6
109.07604	0.8
110.06041	2.1
110.08318	0.5
111.04426	0.6
114.72770	0.4
116.19993	0.4
117.03737	0.5
121.07628	0.5
122.08445	0.5
123.04379	0.9
123.09187	1.2
127.03911	1.3
127.04943	0.4
127.53439	0.4
131.04904	1.0
137.06036	1.0
137.07098	5.1
137.10773	0.6
138.07957	0.4
139.99454	0.5
141.05432	0.5
145.04997	0.6
147.04329	0.6
147.09132	0.6
149.05864	0.6
149.10756	1.9
151.07614	0.5
151.08675	2.2
151.12326	0.9
153.01807	0.9
153.10190	2.6
161.05960	0.5
161.10753	3.8
163.03938	0.5
164.09468	0.7
165.05457	0.5
165.10251	7.8
167.07048	0.9
169.04933	0.7
177.10284	0.7
179.11798	9.4
181.09740	1.2
189.10220	0.9
195.11301	0.7
197.12886	0.6
207.11255	6.4
207.54094	0.5
225.07719	0.5
225.12370	5.3
226.16545	0.5
228.10986	1.1
243.13400	100.0
244.13705	1.4
259.10980	0.6
270.60669	0.5
280.03079	0.4
287.05518	0.9
373.12625	0.7
405.18091	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.7
55.05513	12.1
57.03427	5.2
57.07070	4.5
57.86043	1.4
67.05499	5.8
69.07069	13.7
69.25154	12.4
69.25570	4.6
69.51524	1.3
71.08636	2.6
79.05498	6.9
81.07037	8.7
83.08612	12.4
89.84087	1.5
91.05475	2.0
93.07024	7.1
95.08587	7.3
97.06537	1.5
97.10168	8.0
103.84158	1.5
107.08555	2.8
109.10150	3.4
111.11749	2.0
113.00015	100.0
119.08579	2.2
121.10141	7.7
123.11681	1.4
131.01038	1.7
135.11699	3.4
149.13220	1.4
154.02661	1.8
169.02614	89.2
219.21129	1.8
237.22180	6.6
276.22076	1.7
364.19345	1.7
392.32935	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.5
53.37878	0.4
55.01875	0.5
55.05503	0.6
56.42883	0.4
56.96559	0.7
57.03421	1.2
58.06586	0.5
61.02926	2.4
67.05484	0.7
69.03432	3.6
69.49554	0.5
70.06578	1.4
70.13372	2.2
71.04987	0.6
73.02911	1.4
79.05470	0.7
80.05031	0.8
81.03432	2.5
81.04513	0.9
81.07050	0.7
82.06569	1.6
83.04963	1.2
84.04509	0.5
84.08135	0.6
85.02905	10.4
87.04462	0.7
91.03905	0.5
91.05472	0.5
92.05013	0.5
93.07069	0.5
94.06556	1.2
94.34542	0.5
95.04974	0.9
95.06092	1.5
97.02882	3.7
98.51145	0.4
98.97556	0.4
99.04417	1.0
100.07630	1.1
105.07027	0.9
107.08547	0.5
109.02879	1.8
109.06528	0.6
109.07664	0.5
110.06024	1.9
111.04414	0.6
116.98618	0.9
119.06079	0.8
120.08115	0.4
121.07640	0.6
122.08640	0.4
123.04362	0.7
123.08262	0.4
123.09204	2.0
125.05977	1.5
127.03899	2.2
129.07895	0.7
131.04906	0.6
133.27153	0.4
134.09663	0.7
134.42610	0.4
134.99660	0.7
135.09163	0.6
137.05960	1.7
137.07092	5.6
137.10725	0.7
139.03897	1.2
141.05434	0.6
145.04950	1.4
145.06183	0.4
147.04384	0.5
147.09166	0.5
149.09750	0.4
149.10719	2.6
151.07501	1.2
151.08652	2.6
151.12224	0.6
152.09456	0.8
153.10225	2.9
161.10732	5.0
163.03865	1.1
164.09427	0.7
165.10257	6.8
167.07008	0.9
169.04970	1.5
177.10211	0.9
179.11798	11.3
181.09715	0.9
189.10242	0.9
198.11247	0.5
207.06462	0.6
207.11293	7.9
213.19400	0.4
225.07632	0.9
225.12334	6.4
228.11014	1.0
243.13402	100.0
244.13567	2.4
255.01759	0.7
259.11105	0.8
319.10489	0.5
345.13702	0.6
385.48816	0.5
405.18369	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	405.1731
Annotation	Glu Ala Trp
Peak:m/z	Relative Intensity
54.78385	0.6
55.05513	0.7
57.03424	0.9
58.27876	0.5
59.66268	0.5
67.05469	0.7
67.12346	0.6
69.03421	1.3
70.06586	6.4
71.06923	1.4
79.05476	0.7
81.07034	1.0
85.02899	1.5
89.03925	0.9
95.04977	2.1
97.02875	1.0
98.97592	0.7
100.70487	0.6
105.07050	0.9
107.04958	0.9
116.98581	0.7
117.03370	0.7
119.01911	1.0
119.08502	0.6
121.02834	0.9
123.04433	3.1
123.05233	0.6
124.04757	1.7
135.04433	1.6
139.03868	1.0
147.04395	1.0
153.01842	0.7
161.03018	0.8
163.03905	7.4
167.07077	1.0
177.00702	0.9
177.05440	2.1
178.05833	1.6
187.86644	0.6
208.14194	0.7
222.08345	0.9
230.01784	0.8
238.86189	0.6
242.10510	0.5
270.14786	0.6
291.12836	0.8
304.11761	0.6
330.10660	0.9
387.16409	2.8
394.49231	0.7
405.17307	100.0
406.17746	3.8
421.13754	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1544
Annotation	3,5-Dihydroxy-4'-methoxystilbene 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03951	1.9
55.01856	1.9
57.03436	3.7
60.18308	1.9
61.02914	3.1
62.24121	1.9
67.05469	2.6
69.03413	8.3
70.15594	7.6
71.05000	1.8
79.05489	2.7
81.03409	3.3
81.07057	3.1
85.02899	21.1
85.55772	2.0
89.83446	1.7
91.05478	12.3
93.07023	2.7
97.02884	6.5
105.07017	6.0
107.04943	13.1
115.40101	1.8
119.04958	5.7
121.06492	15.0
123.04464	5.7
125.05967	2.5
127.03873	4.7
131.04919	3.1
133.06453	9.0
135.54709	1.7
137.05983	6.6
145.04955	3.7
145.06454	2.3
149.05991	11.8
151.03934	2.7
161.06006	2.1
165.07022	4.4
167.07031	6.6
175.07460	2.1
181.04990	4.6
210.06834	2.4
211.07527	2.1
212.08250	2.8
225.09015	2.2
242.09286	4.3
243.10143	100.0
244.10573	4.7
245.67041	1.9
253.08469	2.4
254.98219	2.0
255.10240	6.5
267.10089	3.2
317.11859	2.0
387.13962	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	405.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.9
55.01852	1.2
57.03421	1.4
61.02910	0.7
65.03908	0.8
68.99770	0.5
69.03426	3.4
70.43146	1.3
71.01348	0.5
71.04973	0.7
79.05478	1.3
81.03394	1.4
81.07041	0.8
85.02903	13.3
87.04468	0.7
91.03952	0.7
91.05477	13.3
93.07053	1.4
95.04974	2.4
97.02895	3.4
99.04449	1.0
102.03765	0.9
103.03916	0.5
103.05430	1.3
105.07018	6.5
106.04174	0.6
107.04951	10.3
109.02862	1.4
115.03928	0.4
115.05431	0.7
115.18460	0.4
119.04104	0.7
119.04931	12.1
119.08576	0.4
120.05744	1.7
121.02853	1.3
121.06501	22.9
122.06866	0.8
123.04433	6.4
124.05217	1.0
125.05998	1.8
127.03912	3.8
129.06958	0.4
131.04889	0.9
133.06490	11.2
134.03619	0.7
135.04401	4.5
137.05960	3.6
145.04958	1.3
145.06497	2.0
147.04379	0.5
147.08026	1.8
149.05989	15.7
149.07390	2.7
150.06750	3.3
151.03929	0.8
152.06308	0.4
153.06964	0.9
154.07718	0.6
155.08507	1.3
157.06497	1.6
159.08083	1.3
161.05936	0.8
163.03909	3.8
165.07005	6.8
165.09166	0.4
166.07837	0.6
167.07053	1.9
167.08524	0.7
168.05807	0.6
177.05389	0.5
179.07021	0.3
179.08511	0.8
181.05009	0.4
181.06462	1.5
182.07289	2.6
183.08054	3.9
187.07573	0.5
193.06520	0.9
193.08432	0.5
194.07249	0.7
195.07982	0.5
197.09619	1.9
199.07513	0.8
199.79950	0.3
201.09007	0.4
209.08095	1.1
210.06752	3.0
211.07500	3.1
212.08243	1.8
213.09067	0.4
215.10846	0.6
225.09119	2.7
226.09746	0.6
227.06982	0.7
228.07797	3.6
233.08154	0.4
243.10158	100.0
244.10519	3.8
253.31760	0.4
257.08044	2.2
267.10110	0.6
285.11182	1.5
309.11066	0.5
389.61353	0.4
405.15320	2.0
405.35226	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18206	0.7
53.03941	1.6
53.93748	0.6
55.05515	0.9
65.03934	2.6
67.05486	1.0
68.99783	1.0
69.03439	0.7
69.07081	0.8
70.06254	0.7
70.06597	6.8
71.58440	0.6
79.05495	3.0
81.07034	1.0
84.08150	0.8
85.02911	1.6
85.06564	1.0
87.00840	1.5
89.03924	10.4
91.05482	2.2
93.07027	1.1
95.04971	18.1
95.08598	2.0
105.07048	5.3
107.04948	3.2
107.08556	0.9
109.06515	1.8
111.04456	1.6
113.05918	0.7
117.03374	10.7
119.08590	5.6
120.08151	0.8
121.02879	11.5
121.10110	1.6
123.04481	4.2
127.03889	0.6
128.06255	0.9
131.08588	1.4
135.04431	23.7
135.08112	0.6
136.07474	0.8
137.05988	1.8
137.09612	2.2
139.03908	7.8
145.02866	13.3
145.10101	1.8
147.04471	1.4
147.11687	8.0
149.09700	1.3
151.03899	0.8
154.08562	1.0
161.13303	1.8
163.03912	100.0
167.07043	2.0
171.82602	0.7
177.05443	3.0
181.04951	4.8
189.12688	5.2
195.34204	0.7
207.13814	8.5
221.69859	0.7
239.07275	0.7
250.16042	0.7
259.79794	0.7
317.44589	0.7
386.15979	1.8
405.08200	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	405.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38190	1.1
56.96558	3.7
57.03428	1.5
58.99855	1.4
62.71504	1.2
69.03402	2.8
71.01354	3.9
71.57532	2.4
77.00900	1.2
81.03436	1.6
83.04971	3.8
85.02912	8.6
86.99323	1.5
95.01385	1.4
98.97531	1.9
100.07596	2.4
101.00887	7.6
103.02444	5.7
105.00339	1.2
113.00925	1.8
115.02438	5.4
116.98631	3.7
119.00067	1.4
119.01924	43.8
121.01620	1.3
121.03496	4.5
123.01410	1.5
127.02412	3.0
128.98615	1.2
131.01924	15.4
133.03464	16.8
134.99879	6.2
137.02957	11.6
142.03452	2.2
143.01881	7.0
145.01762	1.7
145.03473	20.5
146.08113	2.5
146.99599	1.9
147.01393	15.8
147.05016	1.7
149.02957	2.4
151.04523	2.5
153.00960	5.3
155.01880	4.6
156.99831	1.4
157.03491	12.8
158.99893	3.3
159.05038	3.3
161.01645	2.4
161.02936	14.7
162.99400	14.2
163.04498	4.5
164.98871	1.7
165.02473	2.1
167.01860	2.7
169.03461	15.3
171.01381	39.0
171.02756	2.5
171.05031	8.0
173.02974	9.3
175.04509	5.6
177.00967	32.5
177.04253	1.5
178.01004	2.5
179.01927	1.7
181.03513	1.7
185.01440	7.8
185.02965	25.0
187.04527	17.3
188.99170	1.2
189.00926	3.3
189.02464	21.2
190.98895	2.2
191.02577	9.4
192.98500	1.4
193.01935	1.6
195.01952	12.9
197.02963	10.6
199.00974	1.9
199.02861	2.6
199.04539	26.8
199.06183	1.0
201.00917	23.9
201.02579	1.8
202.01076	1.4
203.02489	43.7
203.04068	4.3
204.02644	2.2
205.00397	6.5
205.03983	1.4
205.05701	1.5
209.03094	7.9
211.04533	5.0
213.00850	3.9
213.02524	30.7
215.02431	11.3
215.04031	2.2
216.98692	3.1
217.01993	5.0
217.04083	12.6
217.05847	2.4
217.07552	1.2
218.96063	1.3
219.02010	60.9
220.02002	3.5
221.03459	4.9
222.06151	2.0
223.01161	1.6
223.04550	4.3
225.02632	1.8
225.06023	1.9
227.02098	14.1
227.04089	11.6
229.04025	4.1
229.05867	2.5
230.00114	1.1
231.00076	1.1
231.01921	21.6
232.02048	1.8
233.03580	24.3
234.03662	1.7
234.99687	1.6
235.05122	2.8
236.97560	1.5
237.00569	1.3
237.03087	6.9
239.04245	2.2
241.01974	16.0
242.03685	1.7
243.02107	14.4
245.03477	23.4
245.99011	1.2
247.04889	2.8
249.03076	94.5
250.03265	5.7
251.04071	4.7
252.99780	1.6
255.01872	10.9
257.03192	4.8
257.05115	12.4
259.03055	12.0
261.03131	10.8
263.04639	45.2
264.04819	1.9
266.98599	1.5
267.01718	6.5
267.04498	1.7
269.03546	2.6
272.04437	2.8
273.03079	27.1
274.03192	2.4
275.06464	55.6
276.06216	2.2
276.45370	1.2
281.05173	4.6
285.00323	1.6
285.03076	15.0
287.04749	7.7
291.04129	47.9
292.04318	2.1
293.05643	27.8
294.05869	1.8
297.03024	1.9
298.07590	4.4
299.05753	4.2
299.99985	2.1
301.04102	14.4
303.04114	47.2
304.04358	2.7
305.05890	6.9
308.99136	1.6
309.05447	5.9
314.05688	2.1
315.04150	22.6
316.04117	1.6
316.50467	1.5
317.06027	4.1
321.05164	94.9
322.05331	5.5
326.05954	2.0
327.05893	6.2
333.01422	2.1
333.05115	25.1
334.05188	2.0
339.06329	14.4
344.06714	6.0
345.05411	30.8
346.05209	1.6
363.06226	100.0
364.06488	5.6
367.10739	5.2
369.10770	3.8
372.01028	2.3
375.05930	1.7
381.07321	53.6
382.07578	1.8
386.08365	2.1
393.05667	1.7
405.07202	4.5
423.08115	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	404.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22016	0.8
55.05513	1.2
56.96294	1.3
56.96564	16.0
70.19169	1.6
70.19557	1.4
70.31714	0.8
71.95242	1.1
73.34957	0.9
74.16763	0.8
79.05480	1.0
91.05474	1.1
94.04180	1.5
98.97038	1.0
98.97578	39.4
116.98618	54.7
122.03658	4.5
134.99655	61.5
137.05972	45.0
140.00179	3.3
153.00713	16.0
158.01260	6.9
179.00252	0.9
197.01286	3.2
198.02029	1.5
208.10168	1.0
211.02849	1.6
215.02216	1.0
220.00525	1.3
224.09697	1.2
226.11087	10.8
235.02774	41.1
236.02922	1.1
238.01479	3.7
242.10696	1.2
244.12206	11.2
253.03838	100.0
254.04269	2.1
255.04327	0.9
267.13794	1.7
268.12201	3.5
271.04849	8.0
276.05457	17.7
280.12128	1.5
286.13263	0.9
298.13312	1.1
298.37076	1.0
307.76401	1.0
329.12836	1.1
344.15186	5.9
362.16367	2.3
390.20798	0.9
404.17438	51.5
405.17709	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	404.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12877	1.5
53.03949	2.1
58.06599	4.2
67.05477	1.4
70.06561	2.1
71.58768	2.3
76.07644	3.5
79.05495	2.2
85.02894	4.4
91.05511	3.4
97.02885	1.5
105.07026	2.8
107.04948	2.6
115.05451	1.7
117.07014	2.3
121.06492	3.6
127.03890	1.5
131.04866	1.7
133.06519	6.2
137.06015	1.8
147.08051	2.5
149.06012	1.9
151.03975	2.3
151.07532	4.1
161.05975	24.1
163.07573	2.7
167.07060	3.7
175.07574	7.0
176.08330	85.3
177.05505	4.5
177.08965	4.3
192.07852	5.4
193.01633	1.6
207.10168	100.0
208.10507	2.9
242.17680	1.6
245.12987	1.6
248.27148	1.7
278.11383	1.8
309.08563	1.7
315.08661	1.9
327.09882	2.7
330.10931	2.6
332.43109	1.5
345.10880	2.7
350.26855	2.6
373.10406	2.8
398.73917	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	4.5
56.05034	14.9
56.85942	0.7
57.03448	0.9
58.04076	1.9
60.04519	2.6
60.05646	2.4
62.71235	0.7
67.05498	5.5
69.04555	11.4
69.07072	5.9
70.02953	1.0
70.06593	4.3
71.04997	5.8
71.58305	1.5
72.04520	4.8
72.08175	1.0
73.36995	0.7
74.02452	4.4
74.06085	10.3
74.24586	0.9
79.05486	5.4
80.05029	1.3
81.07056	10.0
82.06579	3.1
83.08612	1.2
84.04506	1.6
84.05610	1.2
84.08142	1.3
86.03514	1.0
86.09727	0.9
87.82779	0.9
91.05473	2.7
93.07039	10.5
95.04893	1.5
95.06091	0.8
95.08566	4.6
96.05611	33.4
96.08113	3.3
97.04031	1.0
97.06507	1.2
97.10175	1.5
98.07217	1.2
99.07963	2.1
102.05537	3.5
105.07030	2.6
107.04935	2.6
107.08612	2.2
108.05597	4.3
109.06395	3.3
110.07137	4.7
110.09681	1.3
116.08218	5.5
118.05012	2.4
118.06116	1.3
119.08562	1.7
120.06561	2.3
120.08118	0.9
121.10133	3.4
122.07156	5.1
123.04435	1.0
123.11678	1.0
124.08716	1.5
125.09602	1.4
127.03987	0.9
128.08203	6.5
131.08603	1.5
133.10188	1.5
135.07726	1.4
135.11617	1.5
136.08727	1.0
137.05991	1.1
138.12761	7.7
139.03859	2.1
139.76089	1.0
140.14307	1.3
142.09743	2.8
145.06348	0.8
147.11653	1.2
151.03943	0.8
152.11819	2.7
159.11771	0.8
166.12164	1.3
168.13838	2.0
177.12819	1.7
185.25166	0.8
186.14967	1.8
194.23618	0.8
198.16202	0.9
202.14285	1.0
206.16498	3.4
210.14720	0.9
212.16400	4.1
226.83192	0.8
234.16010	16.0
234.99008	1.2
252.17082	9.2
254.18742	2.6
270.18103	39.0
302.20828	4.4
326.20612	1.5
327.23831	2.2
336.19339	2.1
354.20358	2.7
371.22876	100.0
372.23166	3.3
403.25494	57.6
404.25763	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04115	0.5
53.00310	1.8
53.03925	0.5
55.01865	4.1
55.05517	3.1
55.34061	0.6
56.96564	0.5
57.03430	0.8
61.22200	0.6
65.03930	3.7
67.05485	2.3
68.99792	3.3
69.36337	2.3
69.36760	3.3
69.41515	0.5
71.05000	1.0
71.09133	0.7
79.01868	0.7
79.05489	2.5
81.03424	1.5
81.07046	2.3
83.04991	0.6
84.04477	0.8
85.06536	0.9
86.09705	0.8
91.05480	2.2
93.03393	1.0
93.07077	2.7
95.04960	2.4
95.08613	3.0
97.02886	1.1
103.05431	0.7
105.03367	0.7
105.07010	2.4
107.04955	1.2
107.08593	2.3
109.02872	1.3
109.10147	1.2
109.98267	0.5
111.04414	2.7
117.07018	0.7
119.04942	0.9
119.08571	2.2
121.02866	3.8
121.10144	1.1
123.04427	1.5
123.08065	0.7
127.03867	1.8
129.06975	1.1
131.04901	1.7
133.02875	1.5
133.10127	2.8
135.04472	1.1
135.11688	2.6
137.02310	1.5
137.06004	0.9
137.09599	1.8
138.06210	0.6
139.03897	100.0
140.04274	0.7
141.01811	5.1
145.06433	0.8
147.04382	1.7
147.08066	0.7
149.02328	4.0
149.05977	0.6
151.03880	3.0
151.05005	0.7
153.01828	2.4
157.06480	0.7
159.04393	6.1
161.05984	1.1
163.03973	3.6
165.01831	18.3
165.09111	1.8
167.03387	4.1
167.07062	0.9
171.04417	0.6
173.06039	0.8
175.03885	1.7
177.01883	1.0
177.05464	22.4
178.05814	0.7
179.03392	5.2
181.04950	1.2
183.02892	25.5
185.05981	1.9
187.04074	0.8
189.05441	2.1
191.03383	5.0
191.14339	0.9
193.08606	1.2
194.42827	0.7
195.02856	3.6
199.03920	1.4
203.03342	0.6
203.07079	0.8
205.04915	2.9
207.02913	1.2
209.11792	3.2
213.05446	4.4
217.04982	2.4
217.08565	2.5
219.02888	8.0
227.03455	1.6
229.04990	1.5
231.06680	0.9
231.10283	0.8
235.09673	6.2
241.04971	4.3
245.04446	11.8
247.05974	0.6
251.09090	5.2
255.02988	1.6
259.06006	5.8
261.03888	1.4
263.05490	3.8
269.04492	2.2
271.06320	0.6
273.03976	9.9
273.06934	0.5
274.04709	5.6
287.05502	16.5
291.05182	0.7
297.04044	1.9
301.07056	1.7
315.04962	37.2
316.05231	1.1
329.13803	5.3
333.06039	5.6
355.07278	0.6
357.13321	21.7
367.11728	1.2
385.12778	13.7
386.12753	0.7
403.13879	1.1
407.46091	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.5
61.01140	0.8
64.98412	0.3
67.05493	0.7
68.99791	2.4
69.07063	0.6
70.49192	0.3
71.59474	0.3
72.04512	1.5
78.03801	2.4
79.05466	0.7
81.07057	0.7
85.02926	0.4
86.06075	2.2
91.05470	0.8
93.07040	0.7
95.04948	0.4
95.08598	0.5
102.03763	4.8
105.07029	0.7
107.04964	2.9
107.08588	0.4
109.10163	0.6
115.05446	0.7
115.08704	0.8
119.08574	0.7
120.04758	0.3
121.06471	0.4
121.10209	0.5
123.04410	0.7
127.04009	0.3
128.06232	1.1
129.07033	1.9
131.04875	0.7
131.06381	2.8
131.08551	1.0
132.04796	1.8
133.02835	0.4
137.02347	0.4
137.05907	0.5
139.03903	1.0
141.07013	0.8
143.08562	1.0
145.06496	0.5
145.69675	0.3
147.04414	0.5
149.07440	18.9
151.03868	1.0
152.06168	1.3
153.05482	1.2
153.06996	4.5
157.06487	7.2
159.08051	0.7
161.05885	0.4
161.35675	0.3
163.03986	0.4
165.06989	1.3
167.07016	1.9
169.06409	0.8
171.08046	2.5
175.05345	0.3
178.04994	5.7
181.04971	1.6
181.06459	13.4
182.07198	0.6
183.06644	0.4
184.05199	0.6
185.06017	3.5
187.07516	2.0
197.05991	0.4
198.06601	0.6
199.07521	7.1
205.08621	0.5
208.05157	1.9
209.05933	4.0
210.06708	1.0
213.05467	6.6
221.08060	0.5
226.06192	1.0
227.07030	16.1
235.09808	0.5
237.05495	2.5
241.08569	0.4
253.47192	0.3
254.05807	0.5
255.06519	100.0
256.06897	2.6
269.08163	1.3
272.09253	0.9
284.09149	7.9
315.08636	3.5
326.10233	4.3
329.10208	2.1
330.10962	3.5
360.55481	0.4
373.12793	0.5
403.13589	1.7
404.14539	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	1.8
57.03411	1.7
59.06112	2.3
60.04506	2.2
67.05502	1.4
67.17130	1.5
68.99779	2.4
69.03415	1.7
69.50963	11.3
70.06576	3.6
72.08150	6.4
74.06061	2.2
79.05480	2.2
80.05034	1.1
81.03378	3.1
81.07047	3.8
83.06074	1.5
84.04479	4.0
84.08157	2.7
84.99535	1.3
85.02875	4.8
85.07644	1.4
86.09699	16.5
87.00847	1.6
91.05453	1.8
93.07069	1.8
94.06579	1.6
95.05004	2.1
95.08602	1.8
97.02854	2.7
105.07011	1.3
109.02831	1.7
110.06063	1.3
111.04446	1.8
123.04415	3.0
127.03899	3.1
132.10143	1.7
137.02254	1.4
139.03882	9.8
143.11824	1.7
147.04349	1.5
149.02330	3.9
151.03951	1.8
153.01814	14.8
153.05379	1.9
154.04881	2.3
155.03308	3.2
155.06728	2.6
156.10197	1.5
158.02725	1.4
162.05508	2.0
163.03871	2.6
164.06963	1.9
165.05432	1.5
167.03348	1.9
168.06544	3.2
176.03430	1.8
178.04974	4.5
179.03362	3.0
179.05708	2.2
180.06689	1.5
187.10597	1.6
189.12315	1.3
191.03444	1.6
191.08087	1.6
192.06447	3.1
194.04469	3.8
195.02942	5.9
197.02974	1.7
204.06578	1.8
205.05074	1.3
208.03687	2.0
208.05939	2.0
215.13766	1.2
217.06125	1.7
218.04430	1.7
220.06001	2.5
229.04863	1.3
235.07109	5.6
253.01891	1.6
257.04391	2.3
272.15955	1.5
317.12057	8.6
343.02896	2.5
344.07608	1.8
345.08484	3.6
359.13120	41.9
360.13507	1.9
361.03925	2.4
362.08475	1.8
367.08926	2.3
368.07663	3.0
371.11179	1.8
379.04987	1.6
385.04858	1.2
385.10287	7.0
403.11935	100.0
404.12308	3.6
410.32544	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	1.1
57.07071	6.2
65.03968	1.0
69.07084	1.0
70.71582	2.7
72.93265	0.9
79.05484	1.9
81.07043	1.8
83.51820	0.8
85.02898	2.0
91.05452	1.0
93.07033	1.3
95.08570	1.3
97.02874	1.2
97.06510	1.6
98.97557	0.8
107.04935	1.5
107.08534	1.3
115.05376	0.9
119.08550	1.6
121.02847	3.7
121.03765	0.8
137.05931	1.0
139.03873	2.8
146.99669	0.9
149.02336	100.0
150.02637	1.2
151.03928	1.0
153.05492	1.4
167.03421	9.1
167.07034	5.9
168.07361	2.6
181.04915	2.8
205.08540	2.0
223.09662	9.2
244.09529	1.7
259.12299	1.9
296.19479	0.9
298.78748	0.9
301.13281	1.3
331.11359	2.3
352.12747	1.6
384.15359	2.0
402.16229	1.4
402.27286	7.8
403.13895	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1543
Annotation	papaveroxine intermediate
Peak:m/z	Relative Intensity
51.42364	0.4
54.03469	1.0
55.97622	0.5
58.06585	0.6
68.99771	1.0
69.03439	1.2
70.03128	1.3
70.03521	0.8
70.06589	100.0
71.06919	1.2
75.64443	0.6
79.05497	1.0
81.03439	0.8
81.07063	1.2
85.02908	0.9
86.09693	0.8
91.05472	1.5
93.07047	1.1
95.04962	1.1
96.08143	0.5
103.05452	0.9
104.03339	0.5
107.04957	2.6
108.08167	0.5
109.06535	0.8
116.98573	0.5
121.06526	2.4
123.04467	0.9
135.04408	4.4
137.06004	1.3
139.03888	13.5
141.30379	0.5
145.06415	0.5
147.04437	0.7
149.05989	5.7
151.11235	0.6
154.08604	0.7
159.04459	0.8
161.06039	0.6
163.03888	5.7
163.05078	0.7
165.05466	0.9
175.07449	0.6
177.05461	52.1
178.05800	1.1
181.04947	4.0
189.05443	0.9
191.03403	0.7
205.04861	0.5
207.06487	0.6
234.11244	3.8
240.12428	0.8
345.09668	12.7
402.15421	37.0
403.15952	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92955	5.8
53.03921	7.4
55.05502	17.8
57.07077	100.0
57.80620	6.3
66.48794	6.8
67.05490	25.6
69.03432	66.4
69.07055	19.5
70.06480	17.7
70.06895	18.1
71.08629	76.3
81.03415	93.9
81.07041	34.0
83.08608	41.3
85.02903	50.4
85.10160	30.3
86.13284	6.8
93.07065	7.9
95.08607	69.0
97.02882	21.6
97.10144	19.7
99.04442	9.1
109.02889	47.0
109.10164	30.6
123.11672	16.3
127.03896	46.9
154.65688	7.9
239.23657	23.3
383.27869	28.9
401.28571	10.4
401.38187	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	401.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	7.9
55.01864	10.6
55.05511	18.5
56.96559	3.5
57.07073	96.7
67.05502	25.3
69.03429	22.2
69.07065	19.1
70.06600	8.9
70.07972	2.6
71.04991	6.1
71.08629	70.7
71.58920	3.3
73.02920	4.7
80.17802	2.7
81.03421	27.8
81.07059	40.1
83.08627	32.6
85.02896	7.7
85.10184	45.7
88.07648	8.3
92.95229	2.7
95.08606	56.1
97.02893	100.0
97.10169	16.5
99.04461	42.7
102.09175	3.4
109.02888	26.8
109.10159	30.5
111.11720	5.4
116.98649	3.9
123.11694	13.5
127.03916	58.3
134.99670	3.3
137.13300	5.7
139.14888	2.8
145.04950	7.8
151.14835	3.3
212.95599	3.9
221.22719	4.3
230.96646	11.4
239.23679	91.4
240.23921	3.5
244.98224	6.5
251.43361	2.8
297.05069	6.1
339.34680	9.1
359.13745	3.9
377.14908	22.1
383.27975	5.7
400.16269	3.5
401.14862	12.4
401.38159	38.3
419.16022	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	401.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79651	0.5
55.01861	0.6
55.05507	0.8
67.05499	1.0
69.07061	1.0
71.25914	1.1
72.04436	0.5
79.05484	1.8
81.03402	0.9
81.07051	1.9
83.04942	0.7
83.08624	0.6
84.08138	0.8
87.02350	0.5
91.05473	1.4
93.07049	1.5
95.04993	1.1
95.08603	1.2
97.02879	0.6
97.06522	1.1
105.07006	1.0
107.04967	1.9
107.08552	0.5
109.10159	1.3
115.05437	0.6
117.07013	0.7
119.08567	0.9
121.10132	1.0
123.04402	0.7
125.06013	0.6
131.08566	1.4
137.05902	0.5
138.63350	0.7
139.03891	0.9
145.06436	0.8
156.05705	0.8
159.08054	1.3
159.11765	0.5
163.11230	0.7
165.06976	0.5
165.09119	0.6
167.07089	4.1
177.05466	0.7
181.04970	1.0
186.40489	0.5
187.07507	0.8
189.05443	0.8
191.07109	0.7
208.05206	0.6
217.08569	1.8
236.64418	0.5
254.03101	0.5
254.05736	0.5
291.09973	0.8
293.08127	0.6
313.16199	13.2
315.08554	1.6
330.11111	1.4
331.11780	0.7
351.12277	1.1
383.14828	1.7
401.21454	100.0
402.21796	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	12.3
55.01863	11.0
55.05510	11.1
56.93789	7.1
57.03429	12.1
57.07066	9.8
61.02909	15.2
62.69429	8.0
65.87915	6.9
66.68652	6.5
67.05487	29.0
68.99777	19.7
69.03437	63.4
69.07076	43.6
69.73035	42.1
71.04997	57.0
72.82997	6.8
79.05491	37.5
79.48069	7.0
81.03416	50.7
81.07052	77.2
83.08599	16.1
85.02903	85.9
87.00836	41.9
91.05484	46.7
92.23190	7.4
93.07043	49.2
95.04952	20.3
95.08613	31.1
97.02896	56.6
97.06510	8.7
99.04436	13.3
103.03942	14.1
103.05493	11.2
105.01867	25.8
105.07027	58.3
107.04945	24.4
107.08598	46.3
109.02874	18.4
109.06516	100.0
109.10146	33.0
110.98026	6.7
115.03935	21.2
115.05394	11.6
116.98637	6.9
117.07010	19.2
119.08598	45.3
121.06508	39.4
121.10130	25.5
122.11107	7.8
123.04404	10.2
123.08060	28.1
123.11680	19.6
125.09638	9.5
125.13269	10.3
127.03904	27.8
127.11150	10.5
129.01788	11.7
129.06960	14.8
131.08563	31.8
131.32024	8.6
133.06480	8.0
133.10104	12.5
135.08046	15.8
135.11694	20.6
137.05956	8.7
137.09605	26.5
137.13237	12.3
139.03903	14.5
143.08543	12.8
145.05028	7.8
145.10106	22.0
147.08058	21.9
147.11612	12.2
149.13312	9.6
151.11139	22.7
153.01817	22.8
153.12750	10.1
155.08517	8.0
159.02988	10.5
159.08055	10.8
159.11711	16.4
163.11191	22.5
165.12779	18.1
167.07018	28.4
173.09570	38.5
173.13278	8.6
175.07591	12.3
177.12724	24.9
189.03993	9.8
191.10660	16.2
192.46063	8.1
193.12155	15.1
195.13808	25.1
217.08611	11.5
219.13777	8.3
237.14914	11.5
243.13835	26.2
261.14853	43.1
279.15936	9.3
315.08517	11.9
330.10843	10.3
383.15390	13.5
401.17926	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	401.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	34.0
55.05506	27.8
57.03416	14.4
57.07053	20.1
67.05485	30.7
69.03415	93.7
69.07065	71.4
69.47810	73.4
69.48235	63.5
71.04983	49.5
73.02919	13.7
79.05482	51.9
81.03408	52.8
81.07057	74.1
83.08622	30.6
85.02896	90.4
86.09725	13.9
87.00814	50.9
91.05473	66.4
93.07030	58.2
95.04947	19.8
95.08580	50.5
96.08152	13.7
97.02867	44.9
97.06526	23.7
101.32740	14.0
103.03946	18.5
105.01832	27.7
105.07011	42.2
107.04936	38.9
107.08590	71.3
109.02878	36.8
109.06498	100.0
109.10120	52.5
111.04442	14.1
115.03949	13.9
116.98621	15.6
117.06992	34.5
119.04918	13.8
119.08591	70.2
121.06503	42.0
121.10143	28.1
123.04422	24.9
123.08119	27.1
123.11745	15.6
125.13270	16.2
126.91021	15.0
127.03913	40.7
129.01855	20.9
131.08553	34.7
133.06482	21.6
133.10107	27.9
135.11668	36.7
137.05948	19.3
137.09593	20.0
137.13232	15.4
143.08592	19.6
145.06442	19.9
145.10141	24.7
147.08022	28.2
149.22803	15.7
151.11124	18.5
153.01976	15.5
159.08043	29.7
159.11760	15.8
163.11208	19.3
165.08983	15.6
165.12772	26.0
167.07103	77.6
173.09615	32.8
173.13091	16.4
177.12743	30.1
181.04916	20.3
195.13753	26.9
201.03876	17.9
201.12721	16.7
217.08580	19.4
219.07991	17.8
219.13646	23.0
243.13736	55.4
248.08224	14.1
261.14890	51.3
269.08145	16.1
279.09955	24.3
291.10022	18.2
308.10355	17.7
315.08557	33.0
330.10944	50.9
351.12485	26.5
369.13187	18.1
383.14896	39.0
401.16522	22.0
401.28833	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	401.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.7
55.01867	21.2
55.05518	13.5
57.03430	7.6
61.02913	8.0
61.55733	2.6
67.05505	33.0
68.99780	12.4
69.03426	45.6
69.07066	11.9
70.06580	3.5
71.01353	3.2
71.04964	15.4
72.08138	5.9
73.02908	3.2
79.05488	33.0
81.03416	51.0
81.07056	78.6
83.04978	15.6
85.02902	40.5
85.06535	9.3
86.09714	10.7
87.00816	20.0
91.05489	29.1
93.07047	33.0
95.01328	8.9
95.04381	3.2
95.04972	40.9
95.08598	16.9
97.02888	16.0
97.06520	12.7
99.04446	13.8
101.06062	3.7
103.03936	10.9
103.05485	4.2
105.01868	12.1
105.07038	44.7
107.04971	15.4
107.08587	27.6
109.02872	9.6
109.06511	45.1
109.10149	17.6
111.04428	7.3
111.08087	3.2
113.06023	5.6
115.03925	7.3
115.05409	3.6
117.07024	12.0
119.04896	3.3
119.08583	74.1
121.06508	12.4
121.10143	24.3
123.04425	100.0
123.08050	11.1
123.11695	5.5
125.06007	8.7
127.03896	8.4
128.06223	3.8
129.01817	12.8
129.05453	6.0
129.07001	8.9
131.08562	16.1
133.06514	6.2
133.10135	17.5
135.08018	5.9
135.11661	8.9
137.05954	6.6
137.09616	17.2
139.03935	4.8
141.05461	9.6
141.06950	2.6
142.07756	8.2
143.08549	10.3
145.10133	37.6
147.02863	5.8
147.08038	8.5
147.11743	12.2
149.05975	9.8
149.13173	4.0
151.07544	25.0
151.11165	9.6
153.01831	6.8
155.07039	7.0
155.08551	6.6
157.10121	22.6
159.02853	5.5
159.08061	4.4
159.11705	27.0
161.06047	3.3
163.07599	3.3
163.11221	9.9
167.07069	12.3
167.08427	3.2
168.09387	3.4
169.08723	4.5
169.10100	6.7
171.02870	3.6
171.11691	10.2
173.09569	4.2
173.13269	4.0
175.11198	11.4
177.12766	9.1
179.07021	16.0
181.12183	5.4
183.11673	10.1
185.09590	3.0
187.11151	4.1
189.04037	7.0
189.12735	4.6
197.08102	6.6
197.13245	8.8
201.12794	7.5
215.14262	5.7
219.13649	3.8
225.12801	13.2
243.13860	14.4
248.98465	2.5
255.64632	2.4
261.14859	8.8
269.16068	2.2
309.09351	3.2
365.15955	3.7
369.10971	4.3
383.17090	8.0
401.15555	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	401.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.8
55.01870	16.8
55.05507	14.5
57.03422	8.3
60.59661	2.3
61.02916	8.5
65.03934	4.1
67.05508	32.8
68.99792	11.1
69.03432	45.8
69.07066	9.1
71.01359	3.7
71.04983	12.1
72.08150	6.0
73.02920	6.8
79.05502	34.6
81.03418	50.7
81.07059	75.8
82.89118	2.5
83.04984	21.9
85.02906	39.4
85.06541	5.1
86.09710	10.2
87.00843	25.6
91.05489	31.1
93.07040	33.9
95.04970	35.0
95.08614	21.8
97.02875	17.1
97.06529	9.9
97.46098	2.9
99.04459	15.2
103.03947	13.8
103.05455	3.6
104.06197	2.6
105.01854	10.6
105.07033	45.8
107.04958	13.7
107.08588	27.2
109.02864	9.0
109.06519	42.9
109.10160	18.7
109.31428	2.8
110.43706	2.5
111.04465	10.0
111.08083	7.5
113.06013	6.6
115.03933	6.6
115.05478	5.8
117.01857	2.9
117.07001	13.6
119.04961	3.3
119.08578	78.0
121.06513	13.3
121.10146	23.8
123.04430	100.0
123.08063	12.3
123.11729	6.4
125.05985	9.3
127.03950	7.9
128.06259	3.8
129.01817	11.2
129.05472	2.9
129.07001	6.2
131.08566	15.7
133.06511	4.7
133.10136	20.3
135.08041	8.0
135.11659	9.9
137.05988	8.1
137.09622	16.1
139.03917	5.1
139.07529	5.4
141.05499	12.0
142.07765	10.1
143.08554	14.9
145.06471	6.7
145.10130	36.5
147.02937	6.5
147.08084	8.3
147.11685	10.7
149.05957	5.9
149.13231	3.2
151.07524	27.9
151.11188	8.9
152.71672	3.3
153.01816	6.6
155.07071	7.4
155.08571	5.5
156.09401	5.4
157.06427	3.4
157.10106	18.6
159.02931	5.8
159.08006	4.3
159.11696	28.8
161.09663	5.9
161.13362	3.7
163.07599	3.1
163.11162	7.4
165.09088	4.7
167.07059	9.3
169.08780	4.0
169.10147	11.5
171.11691	9.3
172.95963	2.8
173.09674	4.1
175.11205	11.3
177.12747	6.1
179.07062	14.5
183.11693	8.4
189.03949	7.4
189.12729	3.6
191.14365	2.8
196.88640	3.0
197.08076	8.0
197.13208	5.9
201.12737	8.3
207.11832	4.3
212.69781	2.9
215.14296	5.9
219.13889	5.8
220.77937	2.8
225.12875	7.4
243.13832	19.8
261.14941	8.8
277.66458	2.8
283.08054	4.9
304.66745	2.9
341.11707	3.3
354.08704	3.0
365.16028	3.3
369.11264	4.4
383.17059	5.2
401.15701	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.2
56.05039	1.7
56.55729	1.1
56.96558	3.0
57.03430	1.8
58.21976	1.2
58.99574	6.2
61.02915	1.3
67.05498	5.7
69.03426	2.6
69.07063	2.6
69.61861	9.1
71.05003	2.2
76.02225	15.5
79.05488	7.0
81.07053	5.9
83.04992	1.3
83.08613	2.5
84.04504	33.8
85.02908	6.6
86.37599	1.3
86.99035	1.4
88.04006	1.3
91.05479	13.8
93.07024	10.5
95.04955	3.2
95.08600	6.3
97.02880	3.3
99.04391	1.3
105.00092	4.8
105.07034	10.9
106.07854	1.6
106.26598	1.3
107.04954	10.5
107.08570	9.5
109.06522	3.4
109.10167	3.3
114.19743	1.3
117.07008	2.2
119.08681	1.4
121.06438	1.8
121.10148	11.2
122.02725	84.8
124.05203	1.8
127.02148	2.1
130.05038	3.8
131.04990	1.3
131.08592	2.5
133.10115	11.8
135.11720	1.7
139.03940	4.2
139.05760	12.7
141.07053	2.3
142.03220	3.4
144.05690	1.3
147.04382	3.5
147.07863	1.6
148.04709	2.5
149.09610	1.9
151.11179	32.9
153.01826	3.5
156.05702	2.5
157.06494	1.5
159.07988	3.0
167.07037	19.6
175.07497	1.4
183.08386	100.0
184.08757	1.6
187.07626	3.0
188.03763	3.3
191.03450	2.1
199.33537	1.4
205.08629	3.8
208.05177	2.8
217.08568	4.9
219.08116	3.5
220.08850	3.0
226.12556	3.1
231.08121	1.9
233.05882	2.0
235.07573	2.7
237.02834	1.5
247.07520	3.4
247.09697	5.1
248.08379	2.7
255.10612	3.4
261.09280	1.7
267.06476	1.6
269.08026	3.6
272.13147	31.0
275.06882	1.4
279.06525	1.7
281.08035	1.6
282.08734	2.9
290.09244	1.7
291.10147	3.1
291.19611	1.8
293.07996	2.7
299.09109	1.9
307.09305	2.1
315.08569	10.5
319.09851	2.0
323.12839	3.0
328.09381	2.0
330.10995	14.4
331.11615	2.1
337.10788	2.4
338.14252	1.9
339.12128	2.8
343.11707	5.9
349.09579	1.6
351.12219	5.9
358.14163	2.1
368.12531	2.0
383.14908	13.2
384.14893	3.0
401.17599	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	401.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03542	2.1
53.00285	2.3
55.01865	3.6
63.26360	2.2
64.01843	2.3
71.57975	2.3
71.58426	4.0
78.04710	3.7
79.05487	17.0
81.03382	2.2
81.07030	6.0
85.68075	2.2
91.05481	9.9
93.07000	2.8
95.04956	8.1
95.08595	3.3
95.96738	2.2
103.05461	3.8
105.06998	3.7
106.00565	2.5
107.04956	32.5
108.99717	2.3
115.05457	4.0
116.06274	3.2
117.07005	5.4
121.06470	3.1
123.04436	4.8
124.05215	6.4
125.05991	5.4
129.06976	5.8
131.04871	4.8
131.08505	6.5
133.06552	2.8
137.05983	5.1
138.03145	2.7
141.06966	3.8
144.05698	4.5
145.06477	4.4
147.54514	2.6
152.04675	5.1
156.05656	10.8
159.08101	14.4
161.05994	3.9
163.03992	4.6
164.56172	2.3
167.07042	100.0
169.00166	2.2
169.06482	2.9
173.05916	5.6
181.04987	11.9
181.08553	3.7
184.05194	3.3
186.06705	3.2
187.07481	6.3
190.06277	3.1
193.06570	2.5
193.08607	2.7
194.07359	3.1
195.06439	3.9
202.06187	4.5
202.07899	3.3
203.08580	3.9
205.06575	3.8
205.08588	13.9
206.07257	5.3
207.06487	3.6
207.49693	2.8
208.05220	13.3
208.08972	3.0
210.06766	3.3
211.07573	4.2
213.31781	2.6
215.52901	2.5
217.08568	24.8
218.07297	4.2
219.08086	12.4
219.10095	4.7
220.08720	7.2
221.05931	9.4
229.08583	6.3
231.08008	7.1
232.08760	4.1
233.09579	3.9
234.06796	3.0
236.04706	5.4
236.08351	4.8
241.05022	3.1
241.08627	2.7
247.07645	16.2
247.09663	16.8
248.08339	11.0
249.05453	3.3
249.09290	4.6
254.05777	8.8
255.06506	5.4
260.08121	2.8
261.09116	6.7
262.09698	2.7
263.07022	6.3
263.10654	9.7
264.07828	7.6
265.08722	6.1
266.05920	3.0
267.06540	10.3
269.08167	16.2
271.05945	3.2
271.09695	5.9
272.06671	5.8
275.06903	5.3
276.07764	5.9
277.08521	5.2
279.10114	10.7
281.07932	4.6
282.08826	15.6
290.09375	3.7
291.10175	15.9
292.07217	6.1
293.08081	9.4
299.09082	4.0
301.07083	4.2
303.62360	2.8
307.09644	10.9
308.10315	4.5
310.08368	7.5
311.12628	4.5
315.08585	55.6
319.09729	8.7
321.07419	4.2
322.12064	2.9
323.09427	3.8
323.12766	16.6
328.09372	6.6
330.10959	68.6
331.11664	10.0
336.09811	5.6
337.10797	4.9
339.12283	9.2
343.11798	20.2
351.12231	28.7
352.12778	6.5
353.10086	4.6
356.12665	4.2
368.12534	8.6
371.14944	5.0
373.12918	6.3
383.14868	63.8
384.15189	5.5
401.12033	9.5
401.15891	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94826	2.4
53.03932	3.9
57.37891	2.7
69.41070	23.9
78.04722	3.1
78.98772	2.7
79.05489	16.7
81.07050	7.1
91.05463	10.2
93.07059	3.1
95.04934	3.2
105.06990	4.0
107.04955	32.5
115.05424	5.1
117.07016	3.6
123.04403	4.6
124.05197	7.9
125.05981	6.7
128.06190	3.7
129.06987	7.6
131.04904	3.0
131.08574	12.1
136.19722	2.6
137.06065	3.3
141.07043	5.0
144.05702	9.4
145.06456	5.5
147.09685	3.1
152.04617	4.8
156.05708	14.7
157.06532	4.1
158.07262	4.2
159.08028	18.8
167.07051	100.0
171.47377	3.1
172.05161	4.0
181.05023	4.3
184.05222	5.6
186.06818	4.5
187.07538	12.2
189.10825	2.7
190.06300	3.3
190.07837	3.3
191.07018	4.2
193.06525	2.8
203.08598	5.6
204.07813	4.1
205.06686	4.9
205.08612	12.8
207.06462	5.8
208.05200	22.8
217.06561	4.4
217.08589	32.1
218.07346	6.7
219.07973	13.6
219.10117	6.6
220.08676	4.2
221.05969	7.2
221.09656	3.5
231.08055	7.1
231.10123	3.8
233.09512	5.2
234.06732	3.9
235.07448	4.3
235.11063	4.0
236.04666	7.7
236.08313	6.9
237.09012	2.9
239.07024	3.0
240.04138	3.5
245.09723	3.5
246.06866	3.5
247.07469	12.5
247.09676	19.9
248.08299	14.8
249.05411	4.7
249.09187	4.4
251.10876	3.7
254.05733	12.0
259.07477	5.3
261.09103	3.8
263.07007	5.4
263.10614	10.9
264.07809	9.0
265.08609	5.2
267.06476	13.7
268.10867	3.5
269.08087	25.4
271.09619	6.0
275.07010	6.3
276.07806	8.3
277.08481	6.7
279.10098	10.9
281.08246	3.1
282.05460	3.5
282.08826	20.7
290.09381	6.5
291.10156	16.4
292.11044	3.9
293.08096	9.6
299.09189	5.6
300.06250	3.5
305.08151	4.9
307.09546	9.8
308.10489	9.1
309.11011	5.4
310.08289	10.2
312.64157	3.0
315.08615	69.9
316.08896	4.0
319.09695	8.2
319.78134	3.0
321.07635	5.8
322.08298	3.8
323.12650	20.1
328.09366	6.0
330.10977	73.9
331.11652	12.3
336.10147	4.9
337.10587	6.2
339.12112	5.4
343.11786	31.8
351.12363	33.8
353.10388	3.5
356.12671	4.8
368.12463	9.3
369.13293	4.6
371.14859	3.4
383.14886	65.4
384.14893	3.6
401.15869	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	401.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.5
53.21288	1.2
55.01855	1.3
56.88899	1.3
56.96550	1.6
65.03929	1.8
67.05495	3.9
67.34264	1.4
69.03429	3.4
69.07076	2.7
69.41766	9.1
69.42171	3.9
70.06593	1.6
70.52294	1.6
79.05497	14.1
81.03411	2.8
81.07041	5.1
83.04955	1.8
85.02925	3.4
91.05474	7.9
93.07049	3.6
95.04951	4.3
95.08602	2.6
97.02894	2.4
97.06542	2.5
103.05439	2.2
105.07024	5.1
107.04964	20.8
107.08607	1.6
109.06555	3.3
109.10165	2.3
115.05445	3.3
116.06241	1.6
117.07009	4.1
119.08591	2.5
121.06494	2.1
121.10157	1.7
123.04424	6.1
124.05206	4.8
125.05977	3.4
128.06212	2.1
129.06984	4.4
131.04890	2.7
131.08542	4.8
133.06464	2.2
133.10150	2.0
135.04468	1.7
137.05971	2.2
139.03893	1.6
141.06982	2.4
143.04938	2.0
144.05696	4.8
145.06453	5.3
147.04341	2.8
149.02313	1.4
151.03886	3.5
151.07515	2.3
152.04703	2.3
155.06050	2.5
156.05721	5.6
157.06467	2.2
159.08037	8.3
161.05952	4.3
163.03975	3.0
165.12779	2.1
167.07048	60.3
169.06435	2.2
169.07648	2.6
170.07253	3.1
172.05205	1.6
173.05931	3.1
175.07558	2.1
177.05510	2.6
179.07092	2.3
181.04973	8.0
187.07533	5.9
189.05406	2.5
189.07007	3.4
190.07837	1.6
191.06969	3.4
191.08577	4.0
193.06485	1.8
195.06541	2.7
201.09059	2.2
202.07835	3.4
203.08644	3.5
205.06653	2.8
205.08627	9.4
207.08214	2.2
207.10085	2.1
208.05142	11.2
208.08778	2.4
211.07547	1.7
217.08562	11.8
218.07257	5.2
219.08054	10.8
219.10208	6.8
220.08795	4.0
221.05928	8.2
229.08640	4.0
230.07216	2.3
231.08044	6.9
231.10152	3.2
232.08861	2.0
233.05942	3.1
233.09636	4.2
234.06827	3.1
235.07530	5.0
236.04733	3.1
236.08176	2.8
237.09160	2.4
239.07082	3.4
245.09409	3.5
246.06720	1.9
247.07532	14.4
247.09749	3.7
248.08292	10.0
249.09131	2.6
250.06392	2.3
251.10638	1.8
254.05692	4.3
255.71571	1.5
259.07529	3.8
260.08313	1.7
261.09091	5.5
262.09860	3.8
263.07050	4.3
263.10681	9.1
264.07855	5.3
265.08630	5.2
266.05707	1.9
267.06604	5.5
269.08127	13.3
271.06708	1.5
271.09656	3.9
275.06949	4.1
276.07803	7.1
277.05789	1.7
277.08664	5.2
278.05817	3.5
278.09116	1.7
279.07388	2.3
279.10172	7.2
280.10693	1.9
281.08176	3.2
282.05838	2.5
282.08908	15.5
284.06879	1.6
289.08606	1.9
290.09348	6.0
291.10126	11.0
292.07318	3.8
293.08060	8.9
293.10938	1.6
294.08771	2.9
299.09122	5.2
301.07059	2.1
304.07303	1.7
305.07938	2.6
307.09531	8.9
308.10336	5.7
310.08313	6.5
311.08981	2.1
311.12692	2.3
315.08612	31.0
319.09586	6.8
321.07614	4.2
322.08359	2.8
323.09250	2.5
323.12732	12.1
325.10782	2.5
328.09460	4.7
330.10959	39.2
331.11679	8.9
335.09207	1.6
336.09982	5.0
337.10614	6.5
339.08453	2.5
339.12311	6.1
342.10590	2.3
343.11786	18.1
351.12271	21.5
352.12689	2.6
353.10162	6.5
356.12531	3.1
358.14182	4.7
368.12436	8.2
369.13409	5.7
371.15033	3.7
383.14917	50.8
384.11526	2.6
384.15662	2.1
401.16870	15.7
401.21887	4.5
401.28723	100.0
402.12842	4.1
414.40738	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91240	2.3
53.03936	4.2
54.17806	2.2
60.99321	2.6
65.03934	2.5
69.03422	3.3
69.07060	3.3
69.79665	13.2
70.06589	7.5
71.04986	3.0
79.05489	24.0
81.07055	3.8
83.04977	3.0
85.02901	3.9
91.05476	9.3
93.07044	2.5
95.04957	9.7
103.05480	4.7
105.06998	5.8
106.04214	2.7
107.04959	41.7
115.05454	4.4
117.06989	3.7
121.06567	3.0
123.04443	9.2
124.05185	9.6
125.06020	5.5
127.03918	4.7
128.06229	4.5
129.06982	8.6
131.04927	2.6
131.08577	13.9
137.06024	5.6
139.03894	5.3
139.11168	9.3
141.06999	5.6
144.05698	7.8
145.06458	7.8
147.04416	6.6
147.11720	4.1
151.03888	3.9
152.04677	4.2
153.01872	3.9
155.39777	2.9
156.05685	11.1
157.06482	5.5
158.07167	2.9
159.08012	15.8
161.05983	4.8
163.03906	3.1
167.07043	100.0
169.06371	4.9
171.07693	4.3
173.05968	6.2
177.05475	5.3
179.07057	6.8
179.08614	3.0
181.04930	2.6
181.06482	3.0
186.06747	5.6
187.07550	9.0
189.05431	2.8
189.07007	3.9
190.07713	4.3
191.07018	3.7
193.08607	3.3
195.06584	4.6
201.09180	4.6
202.06190	4.5
202.07896	5.2
203.08604	4.6
204.07832	3.1
205.06708	3.3
205.08571	15.1
205.10205	3.2
207.06471	8.5
207.08182	4.3
208.05209	31.2
209.06096	2.7
211.07591	2.9
211.53218	2.6
214.06389	3.1
215.08713	3.2
217.08606	23.5
218.07266	7.0
219.08055	16.6
219.10123	7.7
220.08723	5.3
221.05917	11.2
229.08565	10.7
230.07326	2.8
231.08037	9.9
231.10124	5.1
232.08968	3.8
233.06004	2.8
233.09639	6.1
234.06686	4.6
234.10390	2.8
235.07491	5.9
236.04730	5.2
236.08282	5.9
237.08994	2.9
238.06213	3.1
239.07004	3.6
240.04140	3.5
241.04817	3.1
245.09583	5.6
247.07672	17.5
247.09587	16.4
248.08330	16.7
249.05530	4.4
249.09106	7.2
250.06233	2.9
251.10693	3.3
254.05739	7.9
256.07489	2.7
259.07687	3.0
260.08676	3.2
261.09079	5.4
262.06357	2.8
262.09888	3.1
263.07068	4.9
263.10632	15.7
264.07928	11.6
265.08557	7.0
267.06537	11.5
269.08081	22.9
271.06580	2.3
271.09637	10.0
275.07053	9.5
276.07773	10.5
277.05338	3.0
277.08450	12.0
279.10147	9.5
281.08231	2.9
282.08795	21.5
290.09372	7.0
291.06805	4.5
291.10117	17.1
292.07205	6.7
293.08127	16.5
297.07614	2.6
299.09100	5.6
300.06430	3.7
301.07086	7.2
303.06461	2.5
304.07489	3.9
305.07944	4.8
307.09662	12.0
308.10440	9.9
310.08392	11.9
311.12839	3.1
315.08627	73.3
318.08563	3.8
319.09576	10.9
321.07425	3.4
323.12717	24.7
324.09766	3.9
325.10751	4.9
328.09369	8.9
330.10986	75.4
331.11609	14.5
336.09851	8.0
337.10620	7.6
339.12219	6.8
343.11694	31.6
351.12265	27.6
352.13046	4.3
353.10214	10.1
355.11813	3.2
356.12543	5.6
368.12509	13.9
369.13150	3.1
371.14737	3.7
383.10291	5.9
383.14902	84.6
384.15320	4.9
401.16205	17.2
401.21686	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40142	2.1
50.84901	1.7
55.05505	4.2
57.03411	2.6
61.02945	1.9
65.03931	2.4
67.05495	4.6
68.42557	2.1
69.03426	7.7
69.07058	3.1
69.96336	13.1
70.06585	3.9
71.05021	2.3
75.04473	6.2
77.37682	2.0
78.04728	2.1
79.05486	17.2
80.58130	1.9
81.03426	3.7
81.07047	6.0
85.02908	21.4
91.05486	6.4
93.07031	4.0
94.18124	1.9
95.04968	15.0
95.08595	5.6
97.02879	8.8
105.07025	4.9
107.04958	38.4
107.08606	3.4
109.06506	4.5
115.05424	5.1
117.07010	2.7
119.04964	2.2
119.08554	2.6
121.06496	3.0
121.10156	3.6
123.04447	8.4
124.05203	5.9
125.05992	4.5
126.34263	1.9
127.03928	5.7
129.07010	6.5
131.08566	6.1
133.10121	2.9
135.11696	4.3
139.03885	6.0
141.06987	4.7
144.05685	6.5
145.04955	4.7
145.06514	5.1
147.04408	3.5
151.03946	3.8
151.07561	4.3
153.05476	2.6
156.05699	7.6
157.06494	2.4
159.08055	13.2
161.05978	6.0
163.03868	3.0
163.11209	2.9
165.05418	2.6
165.12747	24.7
167.07042	100.0
170.07259	3.0
173.05991	8.4
179.07153	3.0
181.04962	14.1
181.08527	3.8
186.06770	4.1
187.07556	7.1
190.07765	2.6
191.07063	5.5
193.06618	2.4
195.06544	4.7
202.06143	3.7
202.07828	3.0
203.08615	2.7
204.03757	2.6
205.06660	4.2
205.08595	12.2
207.06413	4.0
207.08157	3.7
208.05200	13.8
208.08832	2.8
217.08594	19.4
218.07294	4.8
219.08069	12.3
219.10156	5.6
220.08838	4.7
221.06009	7.9
221.08122	5.8
221.15359	5.7
222.06793	2.3
226.06065	2.4
229.08582	5.8
231.08020	8.9
231.10155	5.0
232.08849	3.5
233.09735	4.9
234.06804	3.3
235.07611	5.3
236.04561	4.9
236.08258	3.7
239.06935	3.0
239.16370	15.7
240.04099	3.4
245.09770	3.2
246.06795	4.3
247.07524	12.2
247.09731	8.9
248.08279	13.7
249.05609	2.9
249.09229	3.6
250.06447	4.4
254.05835	3.0
258.06833	2.5
259.07718	4.5
260.08243	3.1
261.09106	7.3
262.06384	2.7
262.09827	3.1
263.07187	3.7
263.10623	11.0
264.07813	8.3
265.08621	5.8
267.06598	7.3
269.08090	15.8
271.09720	8.7
272.06924	3.4
275.07117	5.1
276.07748	11.3
277.08563	6.6
278.05914	2.9
278.09076	2.2
279.07016	2.3
279.10150	9.0
281.08362	6.4
282.05771	4.2
282.08820	14.8
290.09439	4.9
291.07248	2.6
291.10138	18.1
292.07324	5.8
293.08148	13.4
299.09152	5.1
301.07123	3.2
305.07864	3.2
307.06555	2.2
307.09583	13.3
308.10437	4.9
309.11172	4.3
310.08182	10.9
311.12863	3.6
315.08594	49.9
319.09601	8.2
321.07724	3.8
323.09204	4.8
323.12683	17.3
328.09415	4.5
330.10992	59.2
331.11694	10.3
336.09918	4.1
337.10690	9.4
338.07703	2.6
339.08789	2.7
339.12143	11.4
343.11768	23.4
351.12326	30.7
352.13016	4.9
353.10193	8.9
356.12372	3.2
358.14136	3.0
368.12543	10.7
369.13248	8.7
371.14813	5.3
383.10254	3.5
383.14929	67.9
383.19836	4.1
384.14859	2.5
400.90015	2.4
401.16431	25.5
401.21472	5.9
401.28705	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.0
60.19288	1.8
69.03410	2.1
71.05000	6.0
71.08289	5.3
75.73406	1.9
78.04715	2.9
79.05496	16.2
81.07062	6.0
85.02913	3.7
91.05465	10.1
93.07049	2.7
95.04941	5.5
105.07057	3.8
107.04958	25.6
109.06546	2.6
115.05459	5.3
117.07031	3.0
121.06525	2.9
123.04431	4.8
124.05220	6.3
125.05989	2.2
127.03907	12.1
128.06213	4.2
129.06998	7.6
131.04974	2.7
131.08562	7.5
132.05824	2.3
133.06506	2.8
137.05937	3.1
141.06972	5.3
144.05704	9.7
145.06493	5.3
146.07410	2.1
147.04398	2.5
147.08076	1.9
151.03836	2.3
153.01830	57.8
155.04848	2.2
156.05667	12.3
157.06476	4.9
159.08037	17.0
161.06000	3.2
163.03963	4.5
165.06990	2.6
167.07043	100.0
168.07361	2.8
169.06429	2.2
172.05269	2.3
173.05975	3.9
177.05495	2.5
179.07106	4.4
181.04991	3.1
181.08571	3.0
184.05086	2.8
186.06836	4.4
187.07555	10.7
191.06978	3.2
193.06596	2.7
195.06540	3.6
197.08119	2.4
201.08900	2.0
202.06284	5.5
202.07936	3.7
203.08583	2.3
204.07828	2.5
205.06560	5.5
205.08615	13.4
207.06560	6.0
208.05188	18.7
208.08839	3.0
211.07635	3.9
215.06979	2.7
217.06531	4.6
217.08577	43.1
218.07164	5.3
219.08076	13.8
219.10173	5.6
220.08821	7.4
221.06050	4.6
226.06197	2.3
229.08646	4.0
230.07365	2.4
231.08061	8.1
231.10172	4.7
232.08900	2.6
233.05946	2.5
233.09622	5.2
234.06729	4.6
235.07570	3.8
236.04750	7.4
236.08292	5.3
237.05414	2.5
238.06134	2.8
239.07040	4.6
239.09132	24.2
240.04294	2.9
245.09766	3.3
246.06586	2.2
247.07510	10.1
247.09706	20.3
248.08249	12.7
249.05595	3.0
249.09074	4.5
250.06273	3.8
254.05756	6.2
255.06540	2.4
257.04486	3.0
259.07635	3.3
260.08353	2.5
261.09198	6.3
262.09827	3.1
263.07071	5.7
263.10593	10.5
264.07904	7.1
265.08752	5.6
266.05698	3.5
267.06461	8.9
269.08084	16.4
271.06073	2.9
271.09644	5.8
272.06723	4.1
275.07083	7.3
276.07877	8.5
277.08636	7.6
278.06009	2.6
279.06900	2.7
279.10132	6.3
280.07156	1.9
281.08191	3.1
282.05597	4.3
282.08908	19.9
285.07657	2.8
290.09497	4.3
291.06946	3.3
291.10132	15.4
292.07324	3.3
293.08057	7.8
296.10425	3.1
299.09106	4.8
300.06229	2.5
301.06677	2.6
304.07309	2.9
305.08154	4.2
305.11670	2.8
306.08929	3.0
307.09616	12.7
308.10410	7.2
310.08453	6.6
311.12643	3.3
315.05212	2.2
315.08585	56.6
316.09213	2.0
318.09103	3.1
319.09677	8.3
320.06964	3.3
321.07657	2.6
322.08337	4.1
322.11884	2.2
323.09271	3.0
323.12723	16.5
328.09534	5.1
330.10980	58.3
331.11682	11.4
335.09198	3.6
336.10074	5.5
337.10669	7.2
339.12338	8.6
343.11780	21.2
351.12329	25.8
352.13077	3.8
353.10229	6.8
356.12561	6.4
368.12570	9.2
371.14804	5.2
383.14890	54.6
384.15289	3.0
401.16275	16.9
401.20963	4.5
401.28894	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	401.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96579	3.4
57.03431	2.9
67.05502	7.4
69.03435	3.0
69.07036	5.2
70.13876	5.1
70.14284	9.2
79.05498	19.3
81.03409	2.8
81.07062	11.1
85.02877	3.7
91.05489	15.7
93.07036	5.7
95.04984	6.0
95.08600	7.3
97.02877	3.4
97.06514	7.0
98.20795	2.4
103.05460	2.6
105.07037	5.7
107.04952	33.3
107.08604	5.8
109.06513	5.1
109.10167	4.6
111.04456	4.2
115.05453	5.4
116.06225	3.3
117.07058	7.2
119.08577	7.6
121.02839	2.4
121.06506	5.8
121.10130	3.1
123.04433	8.3
123.41669	2.5
124.05202	4.0
125.06026	4.8
127.03931	4.3
128.06178	3.9
129.07010	8.8
129.50464	2.5
131.04907	4.4
131.08582	13.2
133.10173	4.9
137.05995	7.2
139.03902	3.5
141.06978	5.6
144.05728	5.1
145.06477	3.9
147.04469	3.9
149.05995	3.0
151.03867	5.7
152.04733	3.2
153.07011	3.0
156.05714	11.0
157.06404	5.0
157.10168	2.8
158.07310	3.5
159.08052	17.0
161.05983	3.8
163.03952	3.0
167.07039	100.0
173.05954	5.3
175.07567	5.5
177.05464	5.2
179.03362	2.6
179.07011	5.3
181.05003	9.8
181.08629	8.3
183.06593	3.8
186.06741	3.2
187.07587	8.8
189.05597	3.0
191.06978	3.5
195.06467	4.0
202.06113	3.6
204.07787	3.2
205.08556	15.8
207.06522	6.7
208.05206	12.0
211.07535	4.3
217.08618	28.5
218.07213	6.4
219.08051	11.2
219.10179	7.7
220.08945	2.8
221.05981	6.6
221.17992	2.5
226.06354	3.3
229.08661	4.3
231.08185	7.7
233.09624	5.7
234.06775	3.8
235.07574	3.2
236.08392	4.5
238.06061	3.6
239.07043	7.2
246.06535	3.0
247.07515	12.4
247.09779	14.9
248.08307	9.8
251.10680	3.4
254.05748	5.9
257.04401	2.8
263.10730	11.9
264.07578	5.9
265.08664	7.4
266.05728	3.3
267.06589	9.9
269.08038	15.9
271.09692	7.0
275.07040	6.2
276.07809	9.1
277.08530	5.2
279.10129	8.0
281.08115	4.3
282.05728	3.6
282.08765	14.5
287.05685	2.8
287.08875	3.8
289.08603	3.6
290.09290	4.3
291.10083	16.8
293.08078	11.5
296.10300	3.6
299.09097	3.9
301.06839	3.8
305.07886	3.2
307.09680	10.3
308.10571	7.7
310.08380	6.9
315.08572	54.5
319.09576	7.7
321.11078	3.5
323.09344	3.4
323.12741	13.3
325.10684	3.2
328.09357	4.2
329.10486	3.1
330.10941	54.6
331.11734	8.7
336.09760	4.7
337.10690	6.3
339.12369	7.7
343.11752	20.6
351.12280	25.6
352.13052	7.0
353.10187	5.4
356.12595	5.7
365.62436	2.8
368.12674	10.0
369.13266	9.1
383.14923	55.2
401.16217	18.2
401.28748	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	401.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
55.01869	1.0
55.05511	0.5
60.56159	0.3
61.18126	0.4
68.99794	5.9
70.18074	1.1
70.18478	0.7
72.11586	0.4
79.05483	1.4
81.03406	1.1
81.07038	0.7
86.01160	0.4
91.05473	0.7
95.04975	0.4
97.27214	0.3
103.05486	0.5
107.04954	2.6
109.02878	0.7
115.05344	0.4
121.02866	1.5
123.04415	0.5
127.03922	0.7
129.06998	0.9
131.04962	1.0
131.08595	0.8
135.04364	0.4
137.02338	7.3
139.03937	0.6
141.07016	0.5
145.06485	0.5
155.04909	0.6
156.05685	0.6
159.08107	0.8
161.05971	0.4
163.03981	0.5
165.01849	0.9
167.07048	6.7
168.05728	0.4
173.06120	0.5
177.01892	0.6
179.04916	1.2
183.02902	0.8
183.04443	0.6
187.07608	0.4
190.07793	0.5
191.03372	1.5
191.08612	1.1
193.04550	0.4
195.04411	0.6
197.06026	0.6
201.05403	0.6
202.07773	0.6
203.08572	0.6
205.06612	0.8
205.08487	0.8
207.04465	0.9
208.05170	2.1
209.06007	1.2
211.03835	1.3
215.08591	2.5
217.08574	1.9
218.07260	1.1
219.02968	1.2
219.08098	2.3
221.06018	2.1
223.04034	0.8
225.05400	1.1
226.07791	0.6
229.06506	0.8
231.02986	0.4
231.08052	1.2
233.09618	0.8
234.06705	3.0
235.03883	4.5
235.07507	0.5
236.04651	1.7
236.08342	0.5
237.05420	2.2
242.07320	0.7
243.08057	1.4
244.08707	0.6
245.05943	0.6
247.07533	24.6
247.09489	1.3
248.08069	2.2
249.05675	0.6
249.09151	1.5
250.06288	1.0
251.03397	0.9
252.04059	0.5
254.05756	0.5
257.06073	0.9
258.06744	1.2
259.07516	1.7
260.08298	0.7
261.05951	0.7
261.09131	2.1
263.00797	0.3
263.03394	8.3
264.07806	0.5
265.05078	0.6
267.06543	0.7
269.08026	2.4
271.07516	11.6
272.07999	1.4
273.05768	0.4
273.09128	1.2
274.06216	4.1
275.07019	24.9
276.07523	2.5
277.05316	0.8
277.08609	4.8
279.02823	0.9
279.10214	0.4
281.04449	6.0
281.07800	1.0
282.08984	0.7
287.07059	1.4
288.07730	0.6
289.05191	0.9
289.08533	6.0
290.09079	0.7
291.06918	0.4
291.10141	1.2
292.03815	0.8
293.08072	1.1
298.06296	0.8
299.06976	4.4
300.07782	3.0
301.08475	0.9
302.05838	1.1
303.06509	36.2
304.06915	2.1
305.04422	1.0
305.08160	0.6
307.02628	0.6
307.09641	0.7
308.10477	0.5
309.03958	0.5
311.06940	1.1
313.04553	0.4
315.08649	3.9
316.07245	1.4
317.08060	7.8
319.09512	0.8
323.09122	1.9
323.12820	1.0
326.05710	1.0
327.06497	19.9
328.06818	2.3
329.07867	1.0
330.05200	0.9
330.10983	4.0
331.05991	24.5
332.06467	2.3
339.06348	0.6
339.12375	0.6
343.06046	1.4
343.11765	1.6
344.07086	1.9
345.07553	20.7
346.07877	1.1
351.12323	1.8
353.10355	0.6
354.05347	0.4
355.05991	19.3
356.06738	8.0
357.07321	0.9
358.04672	0.8
359.05496	3.4
368.12720	0.6
372.06281	5.9
373.07043	46.0
374.07404	3.5
383.05499	8.3
383.14893	3.5
384.06290	6.9
401.06549	100.0
402.06848	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	401.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	16.0
69.20399	3.8
70.19021	16.3
70.47066	3.8
73.43707	4.3
84.11996	5.0
93.00375	5.4
96.43990	4.2
98.97586	87.3
101.25825	4.6
102.01775	4.5
116.98622	100.0
117.99017	4.3
134.99658	84.8
138.42499	4.2
138.52997	3.7
153.00694	13.5
163.04298	4.2
179.00800	6.7
190.95311	5.9
192.98680	5.5
201.45993	4.3
208.96461	6.7
219.02000	8.2
232.96556	9.1
234.96474	4.5
234.99983	15.3
236.99794	13.9
250.97600	9.8
252.97366	8.3
253.97736	4.5
255.00859	5.8
256.96426	6.2
258.97113	5.2
258.99854	34.2
260.00067	6.8
260.99731	15.6
261.03104	16.8
263.02765	7.6
274.97501	71.7
275.97986	5.3
276.97623	35.7
277.00885	76.3
278.00964	8.5
279.00925	27.3
280.00879	5.0
282.99942	13.8
284.99765	28.9
292.98526	63.4
293.98834	5.1
294.98581	19.3
297.98981	5.5
300.97589	12.5
301.01047	44.7
302.01309	8.0
303.00882	61.2
304.01031	12.0
316.99127	7.8
318.98599	48.1
319.02011	6.3
319.98792	9.1
329.45120	4.2
376.98950	28.7
383.02325	5.5
384.53577	4.7
401.01456	15.0
418.98679	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	400.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86264	0.3
61.55177	0.3
65.03942	0.2
67.05521	0.2
69.03407	0.2
69.54209	1.8
73.90076	0.2
74.18416	0.2
81.03381	0.2
85.02904	0.5
87.00815	0.3
91.05481	5.5
97.02905	0.7
98.20717	0.2
101.21355	0.2
108.04470	0.4
109.02850	0.4
115.05457	13.7
116.06295	0.3
117.07018	100.0
118.07336	1.6
127.03919	0.6
139.03949	0.4
153.01816	0.4
346.75711	0.2
351.25494	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27082	5.6
55.05511	8.1
69.79121	39.4
70.06590	63.5
73.06554	24.7
77.35996	5.7
78.45862	6.7
80.30019	8.2
86.09682	8.1
89.06007	6.0
98.20834	8.7
103.05460	5.4
105.07032	84.1
107.04961	7.7
122.09669	32.4
135.07970	6.1
137.05984	10.5
147.04408	12.8
148.07487	7.5
165.95128	5.9
167.07094	11.3
173.46896	6.4
177.05453	16.8
220.13329	13.1
238.14381	100.0
363.87479	5.9
401.16125	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	400.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36855	7.8
57.03440	17.6
69.03426	70.5
69.50105	73.2
70.06602	24.4
84.08164	11.2
85.02898	100.0
86.09727	10.1
87.04475	50.5
91.05477	10.2
95.04948	10.1
97.02906	70.9
99.04498	8.9
107.04961	12.3
110.07159	25.3
115.03916	75.2
115.90649	8.8
120.08144	13.5
127.03917	30.4
129.10190	9.0
132.25781	9.7
133.04967	97.3
139.03976	10.5
145.04973	52.8
153.01889	14.7
163.06050	17.7
233.36458	8.3
368.22040	10.2
400.24506	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	400.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.3
55.01866	10.1
57.03429	5.7
60.04526	2.1
61.02922	5.3
64.20050	1.7
68.99783	3.1
69.03083	2.2
69.03430	28.9
70.94840	4.6
71.04983	6.0
73.02908	12.0
81.03423	36.2
85.02906	100.0
87.00830	34.1
91.03959	2.0
97.02891	38.8
99.04449	19.1
103.03927	2.7
105.01870	33.8
107.04922	1.6
108.04502	10.8
109.02138	1.9
109.02882	36.8
117.01864	4.5
126.05509	5.3
127.03916	85.1
129.01826	6.3
145.04962	42.3
147.02843	4.5
159.02885	28.8
170.34079	1.4
177.03970	2.5
189.03926	2.7
193.45177	1.8
213.03926	3.2
230.06520	2.9
231.05035	13.3
248.07631	4.3
323.44293	1.7
410.36917	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.7
57.03441	1.4
58.22601	0.2
61.02934	0.4
62.03453	0.2
62.96475	0.2
68.89550	0.2
69.03432	2.4
70.06588	0.3
70.46040	0.2
70.71629	0.5
70.71995	0.2
71.01344	0.5
72.08157	0.2
72.67451	0.2
73.02898	0.9
80.35958	0.2
81.03399	0.3
83.04958	0.3
85.02916	1.8
87.04449	0.2
88.32202	0.2
91.48800	0.2
94.04079	0.4
95.30104	0.2
97.02905	2.1
99.04485	0.2
109.02888	0.4
113.02335	0.2
115.03918	1.0
119.03530	1.1
127.03890	0.3
131.05215	0.4
133.04958	0.9
136.06189	100.0
137.04581	0.8
137.06537	0.9
144.44608	0.2
145.02759	0.2
147.04539	0.3
159.09180	0.2
163.03864	0.3
169.05069	0.2
181.05025	0.3
187.05983	0.2
195.26112	0.2
202.08899	0.3
211.06018	0.2
238.10994	0.3
241.95825	0.2
248.16141	0.2
268.10416	7.6
269.10559	0.3
400.14755	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53551	3.0
55.05507	6.2
62.37819	3.5
67.05500	5.7
69.03426	4.7
69.07072	6.9
70.20764	6.1
70.21158	7.5
70.63512	3.1
73.46036	3.2
79.58028	2.7
81.07060	11.1
83.04996	4.5
85.02905	11.2
87.46189	2.9
91.05461	8.1
93.07037	6.7
95.04971	3.7
95.08607	4.6
97.02874	3.7
97.06531	4.7
99.14394	3.1
103.05476	3.3
105.07050	6.3
107.08594	7.3
109.06551	4.7
109.10146	8.7
111.08049	7.7
119.08573	4.0
121.06547	4.2
121.10101	5.4
123.11688	9.0
135.08067	6.2
135.11716	6.1
145.10136	5.6
147.11655	3.2
149.09636	3.6
159.11745	3.7
163.11165	14.4
167.07040	4.1
211.25725	3.0
219.17426	100.0
236.12865	7.3
237.13147	12.5
237.18492	8.6
298.87534	3.6
327.01102	3.4
355.07892	3.3
399.27017	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	399.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.9
57.07072	9.3
67.05505	3.4
69.07068	4.5
71.08646	7.5
81.07059	3.8
85.10190	3.5
86.09705	100.0
92.34940	1.3
95.08619	4.6
101.67608	1.3
109.10164	2.7
120.80569	1.3
123.11793	1.6
132.10202	50.2
139.93954	1.2
143.11784	10.8
171.11230	1.4
189.12384	6.9
211.20563	12.1
213.87305	1.3
229.17657	1.4
240.23206	9.3
268.22705	13.0
269.00430	1.4
287.81589	1.4
302.16562	1.3
340.64481	1.5
358.02844	1.5
399.30847	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	399.2377
Annotation	Hypochoeroside K
Peak:m/z	Relative Intensity
59.90765	2.5
65.74081	2.5
69.03410	5.0
70.71934	10.1
81.07035	8.2
85.02889	7.6
85.03391	2.9
86.95077	2.8
93.07043	6.3
97.02894	3.1
97.06498	6.5
97.49768	2.6
105.07024	6.7
107.08609	6.0
109.10152	6.6
111.08066	17.1
121.06515	3.6
121.10122	6.5
123.11761	4.5
133.21016	3.1
135.08087	4.9
135.11685	3.8
137.09598	3.5
147.04407	2.8
147.11716	5.4
159.11656	4.3
161.09451	3.0
163.11159	7.5
173.09473	3.2
173.13271	3.3
177.12750	3.0
189.12804	5.7
204.15150	11.7
219.17444	100.0
228.87682	2.8
237.14853	21.1
300.31128	3.0
345.20239	4.1
350.77231	3.4
399.10306	3.7
399.19998	10.8
399.27036	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	399.2379
Annotation	Hypochoeroside K
Peak:m/z	Relative Intensity
53.03942	1.0
55.01875	0.8
55.05496	1.9
57.07066	1.2
59.04996	0.5
61.02914	1.0
65.03921	0.7
67.05507	6.3
68.15439	0.5
68.25567	0.5
69.03429	15.7
69.07067	3.6
70.06587	1.7
70.63416	0.5
70.63760	1.5
71.04972	0.7
71.66010	0.5
79.05492	3.5
81.03413	1.4
81.07053	7.8
83.04978	1.0
83.08601	1.6
85.02908	8.6
85.06538	5.4
91.05479	3.2
93.07043	23.6
93.48172	0.5
95.04971	1.1
95.08608	6.5
97.02899	2.7
97.06534	2.6
97.10144	0.8
105.07024	4.1
107.04937	1.5
107.08596	12.5
109.02883	1.2
109.06522	4.9
109.10155	24.2
111.08064	7.8
117.07027	1.2
119.08561	5.1
121.06506	2.7
121.10142	8.5
123.08062	3.5
123.11702	6.7
125.09615	1.5
127.03925	2.5
129.06995	0.5
131.08542	1.9
133.10147	2.6
135.07005	0.7
135.08063	13.1
135.11688	29.4
136.12021	0.6
137.09615	15.8
137.13187	0.5
145.04968	1.9
145.10120	5.1
145.52208	0.5
147.11673	1.5
149.09599	2.1
149.13251	2.4
153.01826	0.7
159.11668	5.2
161.09619	1.6
161.13287	4.2
163.06078	0.6
163.11197	7.6
173.13290	1.1
175.14793	1.2
176.12001	2.5
177.12805	1.0
177.16391	3.2
185.07101	0.6
191.17931	1.1
201.16365	9.1
217.05009	0.6
219.17438	100.0
220.17847	2.8
229.15323	0.7
237.06548	0.9
237.11145	0.7
237.18465	3.4
253.20833	0.5
266.85620	0.5
328.51797	0.5
355.07928	1.4
399.14886	0.8
399.19440	1.0
399.27753	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	399.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.05501	2.5
56.05021	0.4
56.96552	0.4
57.03410	0.4
60.05633	1.6
65.03918	0.4
66.80654	0.3
67.05500	5.8
67.67193	0.4
69.03435	3.4
69.07065	0.9
70.06593	13.9
70.41013	1.7
71.04972	1.4
72.08156	3.9
75.77779	0.4
79.05490	6.1
81.07063	3.6
83.04971	3.0
84.08137	0.4
86.09695	1.3
91.05471	3.1
93.07030	2.6
95.04960	3.5
95.08608	2.2
97.02876	1.5
97.06525	3.1
97.07651	1.5
99.04477	2.6
102.05512	0.5
103.05445	0.7
105.07028	6.1
107.04947	9.0
107.08579	1.3
107.75733	0.3
109.06508	4.7
109.10156	19.2
110.07163	0.7
111.04434	2.2
112.08721	4.3
113.07117	0.4
114.10285	3.1
115.05395	0.6
115.08677	1.0
116.06338	0.4
116.07101	1.7
117.06985	1.0
119.04950	0.5
119.08576	6.0
121.06500	1.4
121.10125	0.5
123.08089	0.6
123.11667	0.4
125.05983	0.7
128.06239	2.5
129.05479	0.9
129.06996	1.4
130.09732	2.1
131.04942	0.9
133.06474	0.8
133.10129	6.0
135.08026	0.4
136.06169	0.8
137.09615	31.3
138.09912	0.4
143.08562	7.6
145.06444	0.5
145.10120	1.1
146.07274	2.0
147.08037	7.3
153.01802	1.0
157.10826	1.2
158.09204	3.3
159.07837	0.7
161.09613	40.4
162.10019	0.9
163.11154	1.2
165.09111	25.5
171.08116	0.9
174.06737	1.1
175.11900	3.4
179.10690	5.5
189.09071	5.0
193.04912	0.4
197.11613	0.6
203.03268	0.4
206.08778	0.4
207.10152	5.5
208.10066	0.4
214.79051	0.4
225.11148	0.5
228.82504	0.4
237.07541	0.4
250.09448	0.5
267.11279	0.4
308.21277	0.4
337.22147	0.5
339.19580	1.8
340.17514	0.5
358.22977	0.4
381.21060	1.8
382.19614	2.5
399.22375	100.0
400.22739	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	399.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67894	1.1
55.05505	3.2
56.05050	1.3
67.05498	3.2
69.03429	2.1
69.07085	3.2
69.73771	1.4
71.08631	3.2
71.58314	2.2
81.07047	2.3
83.38963	1.2
91.05447	2.4
93.07025	2.3
95.08598	2.8
97.02867	2.7
107.08564	1.8
115.52215	1.4
119.01923	8.8
119.08569	1.7
129.05403	1.4
129.46440	1.4
131.08540	1.9
133.10066	1.5
136.06120	2.6
137.05992	5.0
143.01912	3.5
161.02972	6.1
173.06110	1.6
187.00893	4.7
227.05276	1.6
229.01859	2.7
232.64360	1.4
243.04630	6.9
271.04367	2.5
287.03735	18.5
313.16000	4.6
339.12241	1.8
355.17279	16.6
399.16220	100.0
399.27185	12.3
400.16583	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	399.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.4
61.87090	0.7
67.05466	0.9
69.03452	1.0
69.07055	2.7
69.61262	5.4
70.06595	0.8
71.08617	0.8
79.05484	1.8
81.07034	0.9
85.02908	1.0
86.74631	0.9
91.05507	1.0
93.07039	1.0
95.08582	1.1
97.02896	1.8
98.21486	1.3
101.00898	1.1
109.10116	0.8
111.04443	0.9
119.01942	8.0
129.05470	1.4
133.03389	0.8
136.06158	1.4
137.02980	2.4
143.01891	2.5
145.03462	1.2
155.01923	0.9
161.02983	4.9
161.09637	0.9
173.02986	1.2
184.04474	0.8
185.03030	1.0
187.00888	2.9
203.04002	1.0
227.05217	1.5
229.02049	2.1
261.13824	0.8
267.43237	0.9
271.04294	1.7
276.62289	1.0
287.03943	1.1
295.15280	0.8
313.16220	4.4
320.10938	0.9
331.15833	2.2
337.15872	0.9
349.16830	1.3
354.17404	0.9
355.17273	28.3
356.17795	1.8
367.19608	0.8
399.16245	100.0
400.16412	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	399.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.7
56.96560	1.3
57.03440	6.0
61.02927	2.0
69.03427	11.1
70.06586	5.4
71.05003	1.7
72.08145	1.6
73.02931	1.8
75.04501	1.5
79.05510	1.4
81.03402	5.6
84.08157	1.6
85.02907	27.9
86.09682	2.5
95.04971	2.0
97.02890	10.9
99.04496	1.9
103.03961	2.0
103.05464	54.9
107.04954	3.7
109.02872	4.8
110.07172	1.6
111.04449	1.1
117.05554	2.2
127.03937	8.4
129.05504	1.5
130.04141	1.9
131.04932	100.0
135.04422	1.8
136.06076	1.7
145.04939	3.0
148.05176	11.9
151.03938	1.3
152.19011	1.2
153.01820	1.4
160.06299	2.5
161.05946	4.2
161.07144	4.2
163.03940	3.1
163.06134	2.4
163.07547	48.4
193.04997	1.5
201.09100	2.2
230.70123	1.4
243.68898	1.3
267.11316	11.8
271.76630	1.4
399.15781	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1413
Annotation	D 4476
Peak:m/z	Relative Intensity
50.63485	0.6
55.45179	0.7
57.03426	1.2
57.98756	0.7
61.04171	0.7
69.03410	1.0
70.06569	0.7
71.57914	0.8
71.58326	1.4
84.04494	1.0
85.02877	1.3
86.09691	1.4
97.02888	2.1
107.08601	0.9
127.03932	1.1
138.05411	1.3
151.07526	7.0
162.09918	0.9
202.05995	10.2
290.74362	0.8
399.14130	100.0
400.14554	5.3
417.06830	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	7.5
55.05499	7.5
56.47194	2.2
57.03452	3.2
61.02936	3.5
67.05505	13.1
69.03431	4.5
69.07046	9.6
71.08602	5.0
71.58563	3.5
71.58995	3.9
74.35105	2.2
78.72124	2.7
79.05480	6.3
81.03424	4.1
81.07045	12.7
82.14561	2.4
83.04961	4.7
83.08625	3.3
85.02887	4.6
91.05479	10.5
93.07031	8.4
94.04185	4.1
95.08601	11.9
101.06007	3.2
103.05462	4.3
105.07037	11.8
107.04932	4.3
107.08566	4.8
109.02885	2.9
109.06523	2.9
109.10136	6.6
111.04391	3.5
117.06996	3.2
119.08582	6.5
121.10147	5.2
122.03629	9.1
128.06194	3.1
129.06976	4.4
131.04947	5.0
131.08600	5.6
133.10144	3.7
137.05971	57.7
141.06998	3.2
143.08563	3.2
145.10120	3.4
146.03633	4.3
147.04370	3.4
155.04953	3.1
157.10095	4.1
159.11722	3.3
161.05998	17.4
165.05516	6.5
165.06946	3.9
171.11644	3.7
172.05156	4.0
175.07596	3.7
177.05402	3.2
181.10168	3.5
187.07466	5.7
188.72076	2.9
189.06976	7.3
190.07738	10.5
191.08574	8.6
202.07758	3.4
205.06537	3.3
207.08080	8.9
215.07010	11.4
218.07246	21.2
219.07988	17.4
220.08768	4.1
221.05917	5.0
229.06514	8.7
230.07205	4.1
231.07974	5.4
233.09685	5.4
235.07497	12.6
236.08289	8.7
246.06812	21.1
247.07439	20.1
248.08063	5.0
249.05493	3.5
250.09727	3.5
251.07295	2.8
251.10376	3.0
257.05972	9.5
258.06705	3.6
259.07559	3.0
261.09088	33.7
263.06967	12.1
264.07825	10.1
274.06149	19.2
275.07169	13.8
277.08701	4.3
278.09286	7.2
279.10043	8.9
289.08597	51.6
290.09366	7.7
291.06570	3.9
293.11731	5.3
295.09503	4.1
297.21771	3.3
306.08838	14.3
307.09631	59.8
307.13107	4.4
307.20316	3.2
321.11179	100.0
322.11667	4.1
325.21509	4.6
339.12225	11.0
385.73608	3.1
399.25281	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	398.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.1
55.01873	6.7
55.05512	4.0
57.03429	7.2
59.05001	13.1
61.02924	9.1
68.99796	4.0
69.03430	40.1
71.04980	5.4
71.57666	3.0
73.02914	7.5
73.06552	10.9
74.75355	1.8
81.03420	30.7
82.06590	4.2
83.04973	6.5
85.02905	100.0
86.09696	3.3
87.00829	48.5
87.04494	1.9
91.03968	2.6
97.02893	41.3
99.04449	12.8
101.06020	5.4
105.01862	65.9
105.02576	3.2
107.04929	1.8
109.02883	31.4
110.03290	1.8
110.07204	2.7
115.07565	26.9
117.01863	3.5
121.02850	2.1
124.07572	3.1
127.03916	68.5
129.01836	3.7
133.08577	12.0
137.05928	2.1
139.03958	2.1
145.04955	29.1
147.02898	3.1
152.07057	2.2
153.01822	15.1
153.05463	3.4
159.02884	15.5
168.06573	2.3
179.03416	3.4
189.03975	2.2
194.04367	1.9
195.02950	3.5
213.03880	2.3
217.18629	1.8
219.06606	1.9
231.05009	18.1
236.09171	4.0
249.06113	3.3
339.45114	2.3
346.98141	2.1
349.87851	1.6
356.96936	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25317	0.7
61.22363	0.7
72.77877	0.6
74.06070	0.9
97.02916	5.2
98.21529	1.5
102.05545	1.6
116.98647	0.7
120.68590	0.6
131.01920	1.3
136.06201	5.8
144.14227	0.7
145.03436	1.2
147.05458	1.2
165.05084	2.3
173.02908	2.8
183.04616	1.2
183.06140	16.4
189.05110	1.6
193.04556	1.7
195.06111	6.7
199.05684	2.1
201.07214	13.9
201.31537	0.8
207.06146	31.4
207.08115	1.5
208.06178	1.0
209.17783	0.8
211.05640	20.0
213.07216	31.2
215.03860	0.9
219.06129	9.6
221.07701	2.0
225.07199	67.5
226.07288	1.7
229.06674	0.8
233.07683	1.0
237.07175	23.8
239.08698	2.1
243.08221	5.1
245.05020	2.8
248.08839	2.2
250.09297	4.2
255.08261	72.7
256.08447	2.1
260.08868	1.0
261.07300	1.8
267.08359	1.6
273.09390	4.2
275.07214	1.8
278.09784	2.6
279.08252	1.7
293.07184	1.3
297.09323	1.7
309.09265	11.9
327.10233	1.0
327.17447	0.8
333.09207	1.6
341.10825	0.7
381.11334	1.5
399.12723	100.0
400.12692	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	399.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
61.76936	0.7
70.06596	1.1
70.73085	1.9
72.33984	0.5
94.17702	0.6
97.02895	2.5
97.45966	0.7
102.05498	0.9
136.06195	4.8
145.00693	0.6
159.28571	0.6
182.59760	0.6
250.09334	3.1
399.12640	100.0
400.12784	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1491
Annotation	2-Methylthioribosyl-trans-zeatin
Peak:m/z	Relative Intensity
54.53221	0.4
55.01860	0.8
56.12741	0.3
57.03418	1.0
57.07077	0.4
59.04987	0.4
67.05487	1.4
68.05031	0.4
69.03407	1.0
69.35469	3.2
69.35888	0.6
71.01330	0.4
72.17768	0.4
73.02903	0.7
85.02893	1.6
88.65693	0.4
96.39153	0.3
97.02879	0.9
105.07086	0.3
109.05086	0.4
120.67721	0.4
123.04412	0.8
124.03959	1.7
134.04623	8.9
135.03011	0.7
140.02748	0.9
146.99654	0.3
152.05638	3.0
161.09586	0.5
165.02315	4.7
167.02608	1.5
175.09755	0.8
181.05421	0.4
182.04962	100.0
183.05269	1.7
194.04945	2.5
200.09309	0.7
205.05421	1.7
216.04605	1.1
217.15974	0.5
218.16241	1.4
219.07031	1.0
221.08653	0.4
231.07028	6.3
248.09656	11.3
249.10188	0.5
266.10706	79.2
267.10999	2.8
314.09100	0.5
398.14920	26.6
399.15176	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56109	1.4
51.21518	1.2
53.03934	5.7
55.01869	8.3
55.05499	1.8
57.03429	5.4
59.05003	10.1
61.02925	7.5
64.78793	1.5
68.99812	3.7
69.03430	39.7
69.93249	6.3
70.06570	2.6
71.04982	6.4
73.02913	6.5
73.06548	9.4
81.03418	22.3
81.07043	1.4
82.06594	3.7
83.04987	7.4
85.02905	100.0
86.03182	1.9
86.09652	1.5
87.00830	46.1
87.04429	2.5
91.03944	1.9
93.07047	1.4
97.02895	43.4
99.04452	14.2
100.11201	1.5
101.06020	4.8
105.01864	75.7
107.04924	2.2
109.02878	34.3
109.10175	2.4
110.07140	1.8
115.07570	26.2
117.01820	1.7
123.04431	2.2
124.07576	1.7
126.05504	2.0
127.03917	74.3
128.07158	1.5
129.01852	2.1
133.08598	18.4
139.03902	2.6
145.04956	38.1
147.02911	3.0
149.02354	2.9
152.07100	1.7
153.01816	15.3
153.05399	2.1
159.02901	14.5
165.09213	1.7
167.03302	1.8
177.05486	2.1
179.03477	1.9
180.06532	1.9
189.03922	3.2
195.02895	5.6
213.03857	4.8
229.04990	2.0
231.05022	19.2
236.09099	6.7
249.06049	5.8
310.96164	1.8
328.97455	2.5
344.07925	1.7
356.97214	1.6
362.08585	1.5
374.97879	4.2
390.26685	1.7
392.98984	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2735
Annotation	Neurymenolide B
Peak:m/z	Relative Intensity
57.07072	1.7
57.38207	1.5
60.69402	1.6
65.03932	2.3
67.05516	8.1
69.07065	2.5
71.58974	2.1
79.05498	22.7
81.07058	100.0
86.59669	1.6
91.05490	10.8
93.07055	9.5
95.04945	2.1
95.08616	9.5
98.09695	2.1
99.08072	1.9
105.07021	11.5
107.08582	12.1
109.06524	53.1
109.10170	6.4
113.01491	1.5
117.07028	2.5
119.08596	13.8
121.06505	3.8
121.10149	6.9
123.08051	4.1
123.11708	3.7
131.08551	3.5
133.10136	8.9
135.08044	11.1
135.11664	2.4
145.10196	7.7
147.11667	4.4
149.09641	6.6
154.07018	1.8
155.06982	1.6
155.08728	2.1
156.09253	2.4
157.10162	4.1
158.99930	1.6
159.11720	7.5
161.09604	2.9
161.13268	4.1
163.11179	1.6
171.11670	3.6
173.13271	5.6
175.11163	3.5
175.14751	2.1
177.12759	4.3
179.10757	2.2
182.01477	1.5
183.11679	3.2
185.13271	3.6
187.14830	4.4
189.12817	3.1
191.10799	1.9
191.14473	1.7
197.13257	3.5
201.12735	1.9
201.16264	2.7
203.14343	4.1
205.15804	2.1
213.16420	6.2
215.14319	3.9
227.14397	1.9
227.17847	3.1
229.19487	2.3
231.17522	2.8
245.19014	4.3
271.20593	7.9
289.21576	10.3
309.22083	2.1
335.23730	3.6
337.25232	3.2
353.24783	4.2
379.26389	9.2
397.27393	69.9
398.27216	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	397.22
Annotation	His Leu Gln
Peak:m/z	Relative Intensity
53.62902	0.4
55.05502	0.8
67.05495	1.7
69.03407	0.8
69.07063	0.8
71.04974	0.8
71.59580	0.7
72.22254	0.4
73.78893	0.4
79.05495	0.8
79.81834	0.6
81.07052	2.1
85.02890	0.9
85.06549	0.5
91.05476	1.8
92.57533	0.6
93.07027	1.6
95.04984	0.7
95.08595	1.5
97.02871	0.9
105.07014	1.7
107.04959	0.6
107.08596	1.3
109.06502	0.8
109.10206	1.0
119.08570	1.3
120.02112	0.4
121.06488	1.1
121.10143	0.8
123.04449	0.5
131.08540	0.9
133.10107	1.0
135.08029	0.5
135.11746	0.6
137.05902	0.9
145.10155	0.9
147.04398	1.1
147.08156	0.8
147.11700	0.8
157.10112	0.7
159.11685	0.5
161.09546	0.8
188.02966	0.5
191.14331	1.0
200.38393	0.5
203.05307	1.0
217.15865	1.1
221.08107	1.1
235.09645	3.2
235.16969	0.9
256.66260	0.5
357.42111	0.5
397.21973	100.0
398.22354	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	397.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04982	0.5
55.05482	1.6
65.79384	0.6
67.05485	1.9
69.03416	1.2
69.07047	2.0
71.58102	1.0
71.94941	0.6
73.84293	0.6
79.05463	2.0
81.03398	1.3
81.07051	2.9
85.02880	1.6
91.05456	2.4
93.07016	2.0
94.04163	0.8
95.03555	0.6
95.04961	1.7
95.08591	2.1
97.02868	0.9
97.06503	0.8
99.04491	0.6
103.05433	0.7
105.07014	2.2
107.08585	1.5
107.55006	0.6
109.06482	1.1
109.10154	1.2
119.04918	1.0
119.08526	1.9
121.06473	1.3
121.10126	1.0
122.03650	1.0
129.06967	1.0
131.08517	1.1
133.02843	0.7
133.06439	1.0
133.10120	1.0
135.07983	0.9
137.05974	15.4
141.06982	0.9
142.07744	1.0
143.08527	1.6
145.10074	0.9
147.04401	2.8
147.11678	0.7
149.05931	0.8
151.03885	1.2
151.07518	1.1
155.08514	1.6
157.10265	0.6
159.08017	0.8
159.11615	0.8
161.05965	1.1
161.09647	1.1
161.13216	0.8
171.07994	1.0
173.16087	0.6
175.11189	0.8
185.09561	0.8
187.07449	0.7
189.09045	0.7
202.07736	0.9
203.05299	0.7
205.05055	0.9
213.09044	0.7
216.09506	0.8
217.10207	0.9
219.08002	0.8
221.08014	0.9
225.09053	1.0
229.10046	1.3
231.08008	0.8
231.10049	1.4
235.09650	6.2
235.16716	1.1
243.07982	0.7
245.09590	1.3
257.09625	1.0
261.09042	1.0
273.11246	1.0
277.12045	1.2
285.08829	1.1
286.09732	1.1
289.08511	0.7
290.09293	1.0
291.09933	1.0
292.10852	0.6
303.09961	0.9
305.11664	0.9
307.09543	0.9
317.11496	1.0
319.09473	0.7
321.11081	1.0
333.10889	1.1
334.12149	0.6
335.12683	1.1
347.12744	0.7
349.14133	1.0
361.14078	1.2
367.15311	1.1
379.15518	3.0
397.16403	17.2
397.21805	100.0
398.16711	2.1
398.22150	5.0
421.17590	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1646
Annotation	Predurallone
Peak:m/z	Relative Intensity
65.03940	1.2
67.05497	1.6
68.69096	0.8
70.05103	3.6
70.05483	1.3
70.05669	0.8
71.77252	0.8
79.05476	2.0
81.07058	2.0
90.94820	0.8
91.05465	4.4
93.07006	1.5
94.04175	2.3
103.05473	1.2
105.07025	3.6
107.04992	1.2
109.06494	1.8
115.05411	1.6
117.06990	1.5
119.04953	2.1
119.08568	1.0
121.06538	1.2
122.03640	6.5
123.04431	1.4
128.06212	2.0
129.06998	4.1
131.04913	1.5
131.08595	1.3
133.06453	1.2
133.10130	1.0
137.05975	86.9
141.07001	2.0
142.07790	2.0
143.08559	2.6
144.05635	1.0
145.06473	2.0
146.03543	1.3
147.04425	2.3
149.05960	4.3
151.03934	2.0
151.07506	2.0
153.07004	2.3
155.08559	5.9
157.06522	2.5
158.07257	1.9
159.08041	1.8
161.05956	3.9
161.09647	2.0
163.07587	0.9
165.07022	1.3
167.08559	2.3
169.06526	1.4
170.07358	0.9
171.08049	3.3
173.05913	1.2
175.07658	1.7
175.11201	1.1
177.05527	2.1
181.06454	2.1
181.42009	0.9
182.07324	1.0
183.08066	4.1
185.09653	1.5
186.06741	1.7
187.07556	2.6
187.11237	1.0
189.09038	1.6
190.07761	1.1
194.07375	1.4
194.65942	1.1
195.08061	2.4
198.06702	2.5
199.07533	1.5
200.08250	1.2
201.09109	4.5
202.07777	2.2
203.08626	2.1
203.10675	3.2
206.50589	1.0
211.07413	1.5
213.09125	5.3
215.08591	3.2
215.10648	2.3
216.09253	2.3
217.08296	1.2
217.10316	4.5
219.08093	1.3
225.09132	2.3
227.10750	1.2
229.10217	5.9
231.07959	3.1
231.10190	5.7
232.08820	1.9
233.09703	2.2
241.10249	1.7
243.07913	1.9
243.10190	2.6
244.08943	1.4
245.09644	7.5
245.11761	2.0
246.10408	2.4
247.07526	2.7
247.11189	3.2
248.08382	1.3
256.08823	1.6
257.09579	8.6
258.10385	3.2
259.07516	1.7
259.11176	2.3
260.08347	2.8
261.08914	4.4
261.11295	2.5
262.09872	2.8
263.10620	1.0
269.09683	2.0
271.07483	2.2
273.09052	2.7
274.09863	4.3
275.07404	1.0
275.10672	3.6
276.07806	1.1
276.11307	1.1
277.08887	1.3
277.12228	6.1
278.09424	1.4
279.10257	1.1
279.13834	1.4
285.09039	7.9
286.09875	6.2
287.07336	1.3
287.10553	2.6
288.07883	1.8
288.11496	1.2
289.08636	2.6
289.12204	4.6
290.09415	2.5
291.06961	1.2
291.10172	3.1
293.11722	2.4
297.09119	2.0
301.08563	3.1
301.12073	1.9
302.09393	3.7
303.06818	1.2
303.10101	5.1
304.07599	1.1
304.10980	2.7
305.08377	1.7
305.11511	6.0
307.09857	1.5
307.13007	4.4
314.09375	2.5
317.11588	6.5
318.08893	1.8
319.09558	2.7
319.13315	2.4
320.10495	1.7
321.11206	4.0
321.14667	1.7
322.12036	1.8
329.11609	3.2
331.09482	1.7
333.11191	4.3
334.11972	2.8
335.12784	4.2
336.13376	1.1
339.16049	1.4
346.11978	1.9
347.12759	3.7
348.13486	1.1
349.14313	4.8
351.12085	1.3
354.14557	1.8
361.14328	4.8
366.14700	1.7
367.15378	8.5
379.15366	17.6
380.15887	1.0
397.16470	100.0
398.16873	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	397.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.4
59.39573	1.4
62.83637	1.2
67.05492	2.2
69.03433	1.8
69.60767	9.3
79.05480	2.7
81.07050	3.3
83.04988	1.5
88.97332	1.4
91.05475	10.6
93.06990	3.1
94.04178	1.8
95.04951	2.8
95.30204	1.5
98.21476	3.2
102.04721	1.3
103.05449	3.4
105.07027	5.7
107.04975	1.8
109.06477	1.9
115.05444	2.4
117.06982	1.8
119.04957	6.9
119.08611	2.5
122.03647	9.9
128.06213	3.9
129.06984	5.9
131.04906	2.6
131.08540	4.4
133.02875	2.9
133.06499	3.6
133.10088	2.8
134.27534	1.4
135.04375	1.5
135.07964	1.4
136.68156	1.9
137.05975	91.7
138.06348	2.5
139.03809	2.0
141.06978	5.4
142.07774	2.2
143.08525	3.3
144.05655	2.3
145.06471	2.9
147.04396	5.7
147.07976	2.4
149.05984	4.8
151.03777	1.8
151.07558	12.8
152.19385	1.3
153.01881	1.7
153.05449	2.0
153.07004	2.7
155.08575	4.8
155.19412	1.8
157.06525	4.1
157.10078	2.0
158.07259	2.8
159.08037	8.3
161.05951	13.8
161.09593	5.4
165.06989	6.0
167.08539	3.4
169.06506	4.3
170.07216	2.1
171.08028	5.8
172.05148	1.7
172.08786	4.6
173.09669	2.3
174.06784	1.8
175.07533	4.6
175.11182	1.8
181.06425	2.5
182.07269	8.7
183.04462	2.0
183.08011	4.0
184.08772	2.7
185.05969	2.1
185.09644	11.7
186.06790	2.4
187.07571	7.6
187.11182	3.4
188.08406	1.6
189.09071	3.3
191.07054	6.6
194.07272	3.9
195.07968	3.1
197.06017	2.8
197.09579	10.1
198.06757	17.9
199.07556	10.5
200.08241	3.0
201.09119	5.3
203.08629	1.8
203.10440	1.6
209.09695	1.4
210.06740	3.6
210.14935	1.6
211.07558	5.8
212.08292	4.7
213.09081	21.9
214.09734	1.9
215.10674	6.6
217.08466	3.1
217.10332	1.7
217.15857	4.5
219.08177	1.8
225.09093	13.2
226.73758	1.6
229.08554	2.8
231.08098	3.3
233.09572	3.0
234.10335	1.8
235.16870	3.6
242.09447	1.9
243.07982	2.4
243.10158	20.5
245.09599	2.4
245.11761	2.4
246.46706	1.7
249.09044	2.3
255.10191	6.9
257.09607	2.8
259.07568	1.7
260.08377	2.5
261.09064	3.6
262.09885	2.6
264.07745	2.2
269.09372	1.6
271.07565	4.2
273.11261	69.0
275.10651	4.1
276.07956	2.8
277.08554	3.8
278.09390	2.9
281.07892	1.5
285.09067	3.2
286.09845	2.3
287.07071	2.0
288.07742	2.0
289.08749	3.1
289.12125	3.6
290.09274	3.1
291.10196	7.8
292.07297	2.7
292.10614	1.8
293.08154	3.3
293.11371	3.2
301.08459	2.5
302.09241	2.4
303.10199	4.2
305.11868	2.7
306.08810	1.8
307.09698	9.9
308.10443	4.4
314.77936	1.6
317.11597	3.8
318.12451	2.1
319.09726	2.4
319.13165	2.3
320.10385	2.0
321.11179	6.7
322.11758	1.8
323.12805	3.2
325.10495	2.8
334.11868	2.9
335.12814	5.5
339.11880	2.2
349.14273	6.6
351.12299	9.2
353.13916	2.0
354.14621	13.1
361.14478	2.0
366.14435	1.8
367.15231	3.9
367.24240	1.7
379.15399	12.2
397.16577	85.2
397.25528	100.0
398.16702	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	397.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78685	2.1
55.05488	2.1
57.03437	3.8
57.07072	3.1
57.77240	2.2
60.08854	2.1
67.05487	2.5
69.03431	5.1
69.07070	2.7
69.78361	14.2
69.79025	2.0
76.32253	2.0
79.05444	2.8
81.03420	3.6
81.07066	4.1
84.56342	2.3
85.02877	4.9
91.05485	13.5
93.07029	4.0
94.04210	2.9
95.04948	2.6
95.08625	2.5
98.21459	4.7
103.05444	5.0
105.07020	5.7
107.04950	3.2
109.02867	3.6
109.10152	5.1
109.81556	2.0
115.05443	5.1
117.07012	3.6
119.04942	7.2
119.08556	3.0
121.06441	3.4
121.10135	4.9
122.03629	7.7
123.04427	3.7
123.08012	3.7
123.11675	2.6
127.03927	3.4
128.06229	4.2
129.06989	7.0
131.04947	4.2
131.08556	7.2
133.10103	3.9
136.06155	2.7
137.05969	100.0
141.07002	8.4
142.07753	3.2
144.05717	3.9
147.04411	8.2
147.08040	2.4
149.05960	3.9
151.07555	13.1
153.06963	3.8
154.07718	2.4
155.04771	2.1
155.08479	4.2
157.06480	4.5
158.07341	4.5
159.08029	6.2
161.05983	15.6
161.09608	3.8
162.04086	3.2
163.07571	4.9
165.06996	5.3
168.05798	2.7
169.06435	3.5
171.08009	5.1
172.08815	5.2
173.09605	2.6
175.07520	5.8
175.14824	2.2
181.06523	4.8
182.07266	7.4
183.08101	6.8
184.05019	1.9
184.08797	2.9
185.05981	5.3
185.09648	13.1
187.07558	7.2
187.11200	4.2
189.09111	6.2
191.07030	6.3
194.07375	3.1
195.08031	3.3
197.06000	3.5
197.09576	10.2
198.06743	23.5
199.07565	11.8
199.11140	3.4
200.08383	4.7
201.09079	3.9
209.09702	2.4
210.06760	4.6
211.07501	5.8
212.08260	6.3
213.09079	29.5
215.10657	7.3
217.15788	2.6
219.08023	2.6
225.09082	15.1
227.10649	4.0
229.08340	4.5
231.10117	3.4
237.09047	2.7
241.08545	3.7
242.09428	2.8
243.10112	22.5
245.11768	2.9
247.09700	7.6
255.10205	9.8
259.09680	4.7
261.09229	2.7
263.09232	3.7
265.08264	2.4
265.10760	8.5
271.07458	2.9
273.11237	99.1
275.10617	3.7
276.08017	3.5
283.09702	3.8
289.12262	3.2
290.09082	3.2
291.10083	5.2
293.08234	2.7
297.18713	2.3
301.10709	6.9
303.10095	2.9
305.11716	3.0
307.09586	7.2
313.10669	6.1
317.11627	4.2
318.12326	3.1
319.11722	8.8
321.11172	7.5
325.10663	7.2
331.11859	11.2
335.12665	5.2
343.11606	8.6
349.14343	7.4
351.12103	3.3
353.13910	2.6
354.14594	8.1
361.13831	2.7
367.15375	4.0
379.14932	8.7
397.16507	69.6
397.21924	8.9
398.16931	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71590	0.4
56.96552	0.5
63.16363	0.4
69.03402	0.5
69.07064	0.9
70.29369	1.6
79.05498	0.6
81.07049	1.1
91.05480	0.8
93.07071	0.6
95.08614	0.5
97.02876	0.4
105.07027	0.8
107.08601	0.4
119.08582	0.5
120.67475	0.3
121.06478	0.6
137.05984	1.5
161.05981	0.5
179.03351	0.5
205.04947	9.8
206.05733	17.2
207.06354	0.6
213.08954	0.5
235.09647	100.0
236.09956	3.1
273.11249	0.7
343.80261	0.4
354.15048	0.4
391.73251	0.4
397.16266	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.1
59.89691	0.9
69.03405	1.9
69.07048	1.4
71.57861	1.1
71.58239	1.2
78.43238	0.9
79.05465	1.3
81.07056	1.9
85.02861	4.4
91.05484	6.7
93.07046	1.1
94.04203	1.2
95.04960	1.6
95.08589	1.2
95.61121	1.0
103.05447	2.5
105.06971	2.5
107.04951	1.9
107.63120	0.9
109.06503	2.2
115.05444	1.8
115.73125	1.1
119.04886	3.4
122.03606	3.9
126.99998	2.0
127.03912	1.5
129.06955	2.6
131.08493	2.9
133.10121	1.3
137.05977	44.9
141.06984	2.1
142.07744	1.9
143.08492	1.2
144.05693	1.4
145.04857	2.3
145.06505	1.1
147.04385	2.6
149.05951	2.6
151.07529	5.0
155.08530	1.7
157.06491	2.4
159.07996	3.7
161.05963	6.8
161.09573	2.1
163.03941	1.3
163.07495	1.4
165.06918	2.0
166.07773	1.1
167.08430	1.9
169.06332	1.7
171.08003	2.1
172.08751	2.4
175.07492	2.0
177.90587	1.1
179.05682	1.1
181.06491	1.3
181.13733	1.0
182.07216	3.8
184.05116	1.2
185.09610	5.1
186.06760	2.4
187.07486	3.7
189.09085	1.5
189.12756	1.8
191.06915	2.9
193.96355	1.2
197.09518	3.0
198.06778	6.9
199.07524	4.8
201.09050	2.4
202.07716	1.5
210.06618	1.9
211.07462	3.1
212.08090	1.6
213.09131	9.7
215.10606	4.1
217.08463	2.1
217.15735	3.6
225.09109	6.5
229.08342	1.2
231.10057	1.3
235.07468	1.6
236.12743	3.9
243.08011	1.3
243.10147	8.1
245.09489	1.5
249.14632	11.4
255.10054	2.8
257.09448	2.1
259.07520	1.3
261.08911	3.0
262.09650	1.0
264.07617	1.2
265.08444	2.0
271.07629	1.4
272.08154	1.4
273.11304	26.7
275.10431	1.8
276.07773	1.8
277.04904	1.2
277.08261	2.4
278.09314	1.5
285.08923	2.0
288.07626	2.5
289.08463	2.7
289.12012	1.9
291.09964	3.7
292.07220	1.4
293.07889	2.7
293.13672	26.2
303.09900	3.3
305.08072	1.3
305.11530	2.9
307.09555	5.2
308.10229	4.2
309.10895	1.6
311.14743	6.1
317.11514	1.5
319.09512	2.0
320.10239	2.0
321.11450	4.8
325.10400	1.9
329.11658	1.2
333.11130	1.6
335.12177	2.2
336.13403	2.1
339.11954	2.8
349.14099	3.3
351.12238	8.8
353.15787	16.9
354.14609	11.3
356.08392	1.2
367.15134	1.2
379.15295	5.6
397.14764	100.0
397.25220	13.7
398.14856	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	397.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60248	1.1
55.93086	1.3
56.96559	2.2
69.03442	1.4
70.06586	4.4
71.57307	2.1
75.53035	1.2
83.04955	1.6
84.08144	1.4
85.02910	3.4
86.09689	4.2
89.55227	1.2
90.35990	1.1
91.79990	1.1
97.02893	2.6
98.97596	3.7
107.04973	1.8
110.05986	1.6
116.98607	3.0
120.08096	1.3
124.05072	2.7
127.03927	2.7
134.99690	2.4
135.01869	2.1
137.05946	1.6
146.99686	1.4
147.04391	2.8
149.01259	1.5
152.04532	4.1
153.08189	1.3
164.04457	1.6
174.06250	1.4
177.00757	1.8
179.05551	2.5
188.07091	1.3
198.06163	1.6
210.06140	12.6
228.07155	24.1
229.07338	1.6
235.05797	3.6
237.03003	3.3
244.05008	2.0
246.08290	3.4
253.06766	2.4
260.06152	2.0
275.12280	2.7
280.10391	1.8
293.13443	1.6
301.10388	3.1
302.33594	1.3
317.13062	1.6
319.11295	7.6
329.52335	1.4
343.11322	8.3
361.12439	100.0
362.12570	10.0
379.13486	47.6
380.13797	4.0
390.60397	1.3
397.11020	5.5
397.15509	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90784	0.7
56.96561	19.8
64.35156	0.8
69.03436	1.7
71.56921	0.7
71.57340	1.6
84.96040	3.2
85.02918	1.5
97.02869	1.4
98.97579	47.9
100.07654	1.9
100.99152	2.9
110.97545	8.1
112.99123	60.2
116.97810	1.7
116.98618	24.5
119.00185	2.8
123.07131	0.8
127.00696	1.2
128.98596	11.6
131.00166	100.0
133.03461	1.4
134.99658	7.8
135.05930	0.8
143.00171	2.6
145.01730	6.2
146.99635	8.1
149.01218	58.1
154.01772	1.6
155.01910	1.0
158.99632	11.6
159.00833	0.9
161.01241	4.7
161.03030	1.2
162.99124	1.2
163.02762	7.4
165.00761	1.0
167.02277	4.9
170.99667	3.2
172.02780	1.7
173.01221	35.1
173.02769	2.1
175.02783	4.2
177.00723	14.1
179.02379	1.1
187.02774	4.8
189.00719	4.4
191.02271	40.9
193.03842	10.4
195.01747	1.0
201.00763	3.8
203.02271	1.7
205.03828	7.0
209.01215	2.1
209.03380	2.5
211.04854	11.2
214.03882	1.8
215.02266	1.1
219.01762	25.0
221.05089	1.2
233.03316	18.4
235.04910	2.7
237.02812	62.9
247.04871	1.9
248.05574	1.6
253.06033	1.1
255.03888	4.4
261.08218	1.1
263.04306	6.6
275.04413	9.6
277.05951	1.8
279.03906	1.4
279.09253	2.2
281.05426	17.3
287.50967	0.8
291.09317	1.4
293.05402	11.8
304.06918	0.9
305.36346	0.8
337.08032	93.1
338.08401	1.6
355.09091	89.9
356.09427	2.3
378.10681	3.0
397.10208	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	397.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.5
56.17337	2.0
56.96563	48.7
61.02919	2.5
69.03434	5.0
69.07059	3.0
70.06586	4.3
71.17575	4.2
73.02908	3.7
74.97617	2.7
81.03415	3.4
84.96027	5.1
85.02902	10.5
86.09708	4.9
97.02898	5.9
98.97575	63.6
100.07651	2.2
100.99158	9.1
101.00904	3.1
109.02852	3.1
110.97556	4.4
112.99118	40.1
116.98620	51.9
119.00198	10.3
119.01105	2.1
119.01909	13.2
127.03947	3.1
128.98601	16.5
131.00165	84.3
131.01849	5.6
132.95845	3.8
133.01793	2.2
133.03497	2.5
134.99643	22.7
135.03252	2.1
135.04439	3.0
137.01227	4.9
137.02888	3.9
139.95903	2.1
143.00204	4.6
145.01675	6.4
145.03465	7.5
146.99678	18.5
147.04428	3.6
149.01221	92.3
150.96883	3.7
150.99048	2.2
152.04556	2.7
152.98679	2.3
153.00748	2.8
154.01747	3.9
157.03458	3.6
158.01225	2.6
158.99611	14.2
161.01233	8.9
161.02969	4.7
162.99092	2.8
163.02766	12.1
163.03958	6.7
164.67169	2.0
165.00768	5.5
167.02271	15.4
170.99687	5.7
172.02788	2.5
173.01230	40.0
173.02986	5.6
174.96877	3.3
174.99266	2.6
175.02763	5.1
175.04462	2.8
177.00725	21.6
179.02301	4.5
186.96860	5.1
187.02821	8.3
187.04446	3.1
189.00716	8.5
191.02271	55.8
191.03554	2.4
193.00095	2.8
193.03874	15.0
195.01770	3.6
201.00713	4.4
203.02313	2.8
205.03868	7.6
207.01820	2.6
207.04991	2.9
209.03439	5.1
210.96745	2.5
211.04878	16.0
214.04048	2.4
216.98022	3.3
217.00101	2.6
219.01743	26.5
221.05063	3.6
223.04799	2.4
227.02341	2.0
233.03372	19.0
234.99002	2.7
235.01250	2.4
235.04631	3.2
235.06653	3.4
237.02815	58.2
238.31775	2.0
245.05069	2.6
247.04466	2.5
247.06639	6.3
253.05719	2.5
255.03951	5.3
260.04434	3.4
263.04395	8.2
265.07904	2.1
269.05487	3.1
271.06583	2.9
275.04428	4.5
277.00027	9.1
279.03943	3.3
281.05438	22.4
293.05438	8.6
295.06448	5.0
337.07883	100.0
338.08655	3.1
355.09097	95.0
356.09335	3.0
373.09863	2.9
378.10751	8.3
397.10275	17.3
415.10721	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	397.0591
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	19.7
64.32121	0.5
64.85288	0.4
67.05486	0.7
70.16451	0.9
70.16869	1.8
71.95261	3.3
74.97611	0.6
98.97578	31.9
99.48960	0.5
101.74973	0.4
116.97736	0.7
116.98613	48.0
134.99651	59.5
140.00188	2.3
149.56082	0.5
153.00699	15.2
158.01237	5.4
176.02316	1.0
176.33795	0.5
184.08781	0.5
197.98422	0.8
225.97823	1.7
241.00192	0.8
243.98907	1.3
257.03384	0.7
287.02249	0.9
315.01810	2.0
322.01651	1.1
330.04184	2.0
331.15353	0.5
333.02817	2.2
339.01730	0.8
340.02405	0.8
341.03259	0.6
343.01196	1.3
343.04919	1.1
344.01920	0.7
348.05194	1.2
354.00299	0.6
355.04886	3.3
357.02850	3.9
358.03549	13.1
359.04327	1.5
361.02139	1.2
373.05896	6.4
375.03851	2.2
376.04666	29.2
377.05185	0.9
381.05176	0.9
382.03607	1.1
391.07037	1.4
397.05933	100.0
398.06342	3.6
399.06247	2.1
400.04642	0.8
415.06976	32.4
416.07263	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.05513	1.4
58.06594	0.6
59.64255	0.6
67.05502	2.8
69.07056	2.1
70.90141	1.3
70.90474	0.7
73.86377	0.6
74.76347	0.6
74.93304	0.5
79.05475	1.9
81.07053	2.8
83.08639	0.8
85.02891	0.9
87.04459	0.9
91.05473	8.9
93.07043	16.6
95.04952	2.9
95.08581	1.3
96.08086	0.5
96.70522	0.5
97.06488	0.8
99.04485	0.6
99.82016	0.6
103.05465	6.9
104.10708	0.6
105.04500	0.7
105.07023	1.7
107.08561	2.9
108.08126	1.6
109.06564	0.6
109.10169	1.0
113.38429	0.6
113.64905	0.6
119.08566	1.5
120.08118	0.6
121.06501	100.0
122.06853	1.7
131.08582	0.7
135.11671	1.6
136.11252	1.5
145.10182	0.7
148.11205	0.9
162.12781	42.3
163.13159	1.5
164.14326	1.4
178.15913	7.8
192.17499	1.0
203.31715	0.7
228.13901	0.7
263.14920	0.6
276.23215	1.6
282.18515	66.2
283.18909	2.9
284.20041	3.2
298.21655	40.5
299.22046	2.5
326.21121	7.6
355.63165	0.6
396.28949	86.5
397.29230	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	395.204
Annotation	Gly Arg Tyr
Peak:m/z	Relative Intensity
55.01867	0.4
69.07046	0.6
70.24055	1.7
81.07041	1.6
83.46594	0.4
86.78029	0.4
91.05459	1.0
93.07034	1.2
95.08604	0.7
97.06526	0.6
98.20803	0.4
105.07006	0.9
107.08595	0.8
108.36205	0.4
114.62984	0.4
119.08562	0.6
131.08539	1.0
145.10120	1.0
163.11145	0.7
169.09979	0.4
177.67435	0.4
185.35541	0.4
215.06941	2.2
215.14465	0.5
233.08080	2.1
367.14459	0.6
395.20377	100.0
396.20612	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	395.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25345	3.2
55.05497	12.7
67.05493	22.2
69.07073	12.0
70.02950	11.2
70.16557	8.8
70.16951	6.8
71.08614	3.3
71.90874	3.1
74.02425	18.2
79.05493	3.7
80.42659	3.3
81.07052	19.3
83.08624	3.4
87.05580	59.2
88.03991	100.0
91.05477	5.4
93.07031	9.5
95.08607	14.8
97.10213	4.0
109.10168	8.9
110.10605	3.5
116.03445	9.0
121.10141	4.8
123.11701	3.3
133.06082	90.0
147.11728	6.2
166.91876	3.2
294.16006	3.1
297.70459	4.1
300.33069	4.0
338.15451	3.6
395.28265	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	395.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20162	5.7
57.20450	5.1
71.56619	6.3
71.57024	6.6
74.35362	5.2
84.08138	7.6
90.15082	5.2
113.36654	5.5
127.47459	5.2
317.45557	5.9
356.87006	5.3
395.09555	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	6.7
57.03423	9.1
61.02917	9.5
68.99780	13.6
69.03424	13.3
71.58363	4.4
73.02921	7.0
81.03413	14.8
85.02908	32.1
87.00833	21.8
91.05482	9.3
95.04949	5.0
97.02884	7.4
103.03947	13.6
103.05459	15.3
105.01866	3.5
111.04388	3.2
115.05433	21.4
117.06997	22.6
119.08551	3.2
123.04417	9.1
128.06232	12.5
129.01816	12.7
129.06989	28.1
131.04961	18.4
131.08531	7.3
132.05632	3.2
137.05981	42.2
141.07025	15.1
143.04893	4.6
144.05693	13.0
145.06491	23.1
147.02911	5.7
147.04391	5.2
147.08047	3.7
151.07494	3.3
152.06157	5.5
153.06964	8.0
157.06485	26.2
158.07280	6.1
159.03040	3.4
159.08078	7.4
160.05205	29.1
161.05922	4.6
162.06741	5.5
163.07553	12.0
165.07025	5.7
166.07724	2.9
167.08559	21.5
169.06442	18.3
170.07286	3.3
171.02870	3.4
171.08034	11.1
172.05200	8.2
173.05901	5.1
174.06754	12.5
175.07559	100.0
176.08047	3.4
177.05559	4.1
177.09119	46.1
181.06453	9.9
185.09711	4.2
186.06764	4.1
187.07544	79.3
188.07985	3.9
189.04048	5.9
189.09113	55.9
191.07118	8.9
191.10684	3.9
193.08670	3.8
194.07272	4.2
195.08044	24.6
196.05101	3.8
196.08588	3.7
197.06009	7.1
198.06743	5.8
199.07590	14.0
201.09105	37.5
203.10680	14.4
205.08600	4.2
209.09642	5.3
211.07568	3.8
212.08342	9.1
213.09035	21.7
215.10657	4.4
217.08641	11.1
223.07552	9.0
225.09016	6.9
227.10649	40.1
229.08623	13.3
231.10165	22.3
237.09084	7.1
241.08455	6.8
243.10161	5.1
245.11760	7.7
255.10187	38.9
273.11221	23.0
291.12231	8.8
313.94443	3.2
360.67914	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	395.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65383	1.8
56.96563	5.2
71.31724	4.1
76.61184	1.7
77.54949	1.7
91.05495	3.4
98.97573	10.7
109.03035	2.0
110.97565	2.8
116.98624	8.3
128.98611	6.1
134.99617	4.3
146.99669	4.8
158.99672	3.1
165.86067	1.5
177.00761	5.0
207.03310	2.0
219.01790	3.9
227.05307	4.3
232.41200	2.1
237.02859	9.3
267.05276	2.0
271.04169	4.8
309.06363	3.7
309.09454	7.5
327.07474	29.7
327.10999	2.7
333.09561	2.6
350.08960	1.7
351.10510	52.2
395.09543	100.0
396.09747	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	395.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
64.80184	3.9
70.64339	10.1
70.64677	4.2
76.01554	4.3
80.88042	3.9
84.08144	19.1
98.97555	4.5
100.07615	5.9
101.00854	4.5
119.01923	26.9
119.04885	5.7
121.01679	4.4
130.08679	5.7
131.01912	13.8
133.03427	5.3
137.02936	7.7
143.01894	9.3
145.03453	23.1
147.03157	4.0
147.04266	4.7
155.01860	7.0
157.03464	8.6
159.05011	6.0
161.02951	11.3
163.04515	6.3
169.03465	7.1
171.05009	5.9
173.03004	12.0
185.02887	5.4
187.04527	23.3
189.02444	4.4
189.06097	5.3
196.04558	4.6
199.04619	7.7
203.03961	5.4
231.03432	6.7
275.02438	17.4
275.05869	10.8
277.07761	31.0
284.01810	6.8
287.02582	7.6
289.07712	5.5
293.03546	11.7
302.04608	5.2
305.07007	6.5
395.09454	100.0
395.14444	6.8
408.17502	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	395.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	1.6
58.71534	0.8
67.05508	0.9
69.03407	1.1
70.06573	1.8
71.04998	0.8
71.22378	0.9
71.57745	1.4
72.08126	1.8
81.03397	0.8
84.04478	0.8
84.08113	1.7
86.09692	1.3
91.05468	1.3
93.07039	1.2
107.04939	2.6
119.01994	0.8
147.04298	2.5
168.02835	0.8
195.30922	1.1
212.80785	1.1
224.64792	0.9
227.05283	3.9
267.05331	1.1
271.04294	4.1
309.09409	6.7
333.09604	1.8
351.10489	51.4
352.10855	1.5
392.53851	1.0
395.09467	100.0
396.09732	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	395.0746
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	17.1
64.53452	2.8
68.65862	2.5
69.03432	3.4
69.07050	3.0
70.06623	3.2
71.11609	5.9
71.11951	3.1
84.96020	5.5
86.09731	3.4
91.05473	17.5
98.97588	38.5
107.04976	4.5
107.92202	2.6
110.97546	6.1
115.97826	3.2
116.98615	29.2
118.90076	3.0
128.98602	15.4
131.00191	3.6
134.99667	9.4
143.00137	5.5
146.99648	11.8
149.01151	4.0
158.95221	2.7
158.99669	8.1
161.01160	6.0
162.99196	4.0
170.99608	8.3
177.00661	16.3
189.00677	5.1
191.02161	3.4
195.01816	3.2
197.04669	3.4
207.03291	12.1
219.01706	10.8
225.04375	10.0
232.09441	3.3
237.02792	35.4
255.03903	5.1
309.06458	20.2
327.07498	100.0
328.07901	4.9
350.08911	7.0
351.10336	8.6
369.08365	4.9
372.61719	3.4
395.09756	20.4
395.21301	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	394.207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97330	1.9
53.03934	6.3
55.01868	7.0
55.05509	7.8
56.65435	2.1
57.03442	3.2
61.02924	5.0
63.42722	2.2
66.77326	2.3
69.03432	33.5
69.06721	3.8
69.07070	42.2
69.99143	8.7
69.99549	5.4
71.04992	5.7
73.02917	7.1
79.05459	2.1
81.03417	22.6
81.07065	2.3
85.02905	100.0
87.00832	45.1
93.07070	2.3
95.08598	4.2
97.02900	42.4
99.04436	13.3
105.01868	72.9
107.04861	2.7
108.04476	3.2
109.02879	21.4
111.11725	5.3
116.98587	2.8
121.10113	2.6
127.03922	58.3
129.01811	2.5
134.21045	2.3
145.04967	42.2
145.40680	2.5
147.02913	2.4
159.02890	9.5
189.03897	3.2
206.03136	2.4
222.97475	2.2
231.05005	17.9
232.50249	2.5
249.06090	6.4
353.10709	3.3
394.14288	4.0
394.19183	44.7
395.20099	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	394.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.1
55.01871	9.0
55.05511	4.9
57.03440	5.6
61.02927	6.2
67.05492	1.8
68.99791	3.2
69.03431	38.2
69.07070	30.4
69.99379	2.7
69.99789	1.5
71.04989	5.3
73.02911	6.7
77.50321	0.8
79.05538	0.8
81.03421	24.3
81.07074	1.2
83.04965	1.4
85.02905	100.0
86.03197	0.8
87.00829	39.3
87.04487	1.2
91.03937	2.0
95.08622	0.9
97.02889	35.8
99.04454	13.4
105.01866	67.3
108.04498	3.1
109.02879	25.6
109.10133	1.1
111.11735	4.0
115.03935	1.4
117.01884	2.6
126.05544	1.0
127.03918	68.6
129.01862	3.3
145.04962	35.6
147.02910	2.6
159.02884	14.5
171.02869	1.1
177.03978	1.2
189.03995	2.8
213.03889	2.0
231.04982	20.8
248.07706	1.7
249.05963	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	394.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61867	12.7
56.96551	45.4
61.02927	16.9
69.03430	47.9
71.57661	22.3
76.21390	12.1
79.05513	12.3
81.03423	42.4
82.06587	22.0
82.75551	12.0
84.04510	27.4
84.96030	13.7
85.02903	96.1
89.03954	18.1
91.05451	23.5
97.02903	24.7
98.97581	91.1
100.07619	59.6
108.15014	13.1
108.44830	14.1
109.02895	19.6
116.98592	96.1
119.04950	33.7
119.84008	13.5
127.03917	37.4
128.98621	15.0
134.99677	56.3
135.04449	29.2
137.05965	99.5
143.03403	18.2
146.08163	15.6
146.99632	23.0
147.04420	65.3
149.04558	17.2
153.01820	100.0
158.99635	35.6
161.02855	15.9
163.03937	57.3
166.07184	63.0
177.00731	74.9
179.07051	61.4
207.76241	14.8
219.01733	21.2
237.02814	50.4
291.07907	15.4
309.08542	43.8
394.34918	16.4
395.12863	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	394.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33861	3.5
54.28531	3.9
55.09871	3.7
56.96549	5.5
58.06596	5.0
62.45098	4.4
69.03421	7.9
69.46181	3.7
70.06586	5.9
71.42066	7.8
79.05501	5.0
81.03382	4.3
82.06593	5.7
84.04492	17.3
84.08147	100.0
85.02889	18.2
86.09721	8.0
90.49587	3.5
91.05473	12.7
92.91150	3.8
95.04957	5.5
97.02866	4.9
98.97578	5.9
100.07586	20.2
102.09149	5.3
104.87596	3.8
107.04960	7.9
111.90217	4.0
116.98632	9.2
119.04926	17.4
121.06506	8.5
122.06034	4.8
123.04478	4.9
127.03893	5.0
134.99684	6.3
135.04443	10.7
137.05949	16.4
141.13890	4.1
146.05913	4.0
146.08121	15.6
147.04440	22.5
149.05986	7.7
150.06781	5.3
153.01817	9.7
163.03888	14.9
167.06978	5.6
169.13364	8.0
179.07056	20.4
233.02849	5.7
237.02829	5.3
283.09708	7.0
300.12228	12.7
302.16974	10.3
310.19781	4.3
313.10956	5.4
329.10208	5.3
330.20355	27.8
334.85321	4.1
346.12766	9.9
394.15088	4.7
394.20175	15.8
395.09381	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	393.248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	13.3
55.05513	9.6
65.11748	7.5
67.05493	8.5
69.03428	22.3
69.07067	15.0
70.06596	29.5
71.05016	12.2
71.57825	11.5
72.08137	14.3
72.20061	6.5
79.05500	8.1
81.03403	53.7
81.07077	12.5
84.04486	14.4
84.08153	15.0
84.78249	7.1
85.02904	11.4
86.09705	64.1
90.41681	7.2
91.05481	19.6
93.07045	13.4
95.04954	7.9
95.08612	22.4
97.02880	8.9
99.04449	18.7
107.04967	17.3
107.08597	16.6
109.02845	8.4
109.10136	10.4
109.74233	7.3
117.13401	6.7
120.08099	50.4
121.10132	14.7
129.10258	10.8
133.06470	7.4
136.07597	17.1
140.07048	7.6
147.04436	14.9
147.09143	17.7
151.03903	8.3
157.71736	7.9
173.07085	11.5
175.08705	14.9
177.16374	42.3
191.08186	100.0
195.17451	13.8
262.16592	9.8
267.01764	8.6
299.87967	9.0
307.12915	22.7
375.11630	15.3
393.13144	9.1
417.62613	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	393.261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58850	1.2
57.07074	7.1
58.07402	2.4
69.07008	1.5
71.20430	2.7
75.31104	1.2
79.05505	1.5
81.07064	2.3
84.48788	1.2
91.05453	1.3
93.07034	1.6
94.82511	1.3
95.04963	1.6
98.27644	1.6
100.02395	1.4
100.57957	1.4
117.65470	1.4
119.08535	1.3
145.10052	1.4
219.87935	1.4
224.14088	1.3
308.19534	1.9
309.19910	2.5
375.24982	3.7
393.26093	100.0
394.26410	3.8
396.31805	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
66.13758	0.5
67.05499	0.7
68.78182	0.5
70.30632	2.5
81.07044	1.9
91.05471	1.2
92.00101	0.6
93.07057	0.8
95.08591	0.6
98.20854	0.8
98.22810	0.6
101.73339	0.6
105.07021	0.8
119.08549	1.2
123.11780	0.6
156.59955	0.6
185.13449	0.5
204.68806	0.7
243.57950	0.7
276.69849	0.6
315.20932	0.7
361.25214	0.6
393.26093	100.0
394.26447	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	393.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.3
55.05508	22.5
57.03426	6.4
57.07075	35.9
65.03929	6.1
67.05503	48.2
69.07062	28.4
70.84546	5.8
70.84885	6.4
71.08629	20.8
79.05493	36.2
81.07058	83.0
83.04988	5.4
83.08610	18.1
85.10154	14.9
91.05474	52.9
93.07047	71.0
94.83271	3.1
95.04966	59.6
95.08611	65.1
97.06517	9.9
97.10190	3.7
98.98466	56.7
99.44170	3.3
103.05419	5.0
105.04482	3.3
105.07027	100.0
107.04922	3.8
107.08595	53.4
109.06531	18.1
109.10140	38.8
115.05450	5.3
116.99453	4.4
117.07021	24.1
119.08572	81.6
119.09360	6.1
121.06486	20.4
121.10149	35.5
123.08051	5.1
123.11699	18.1
128.06207	10.0
129.06999	14.2
130.07771	11.2
131.08575	44.0
133.09126	4.6
133.10124	48.4
135.08066	7.6
135.11681	15.6
137.09586	7.1
139.11113	3.4
141.06967	4.8
142.07794	28.5
143.08536	30.9
144.09351	8.4
145.10123	65.1
147.08081	4.2
147.11723	23.0
149.09625	5.8
154.07738	4.7
155.01039	74.9
155.08565	13.7
156.09334	10.9
157.10141	48.3
158.10905	6.3
159.08151	5.9
159.11661	44.4
161.09665	16.2
161.13252	11.8
163.11203	4.3
167.08571	8.2
168.09390	7.4
168.78952	3.4
169.10158	27.2
170.10939	4.0
171.11687	22.5
173.09705	4.5
173.13292	19.4
175.11203	9.4
175.14810	15.8
179.08511	5.5
181.10107	11.2
182.10887	9.7
183.11691	22.1
184.12518	3.8
185.13275	13.9
187.11145	4.9
187.14798	6.5
189.16356	3.5
193.10164	7.3
194.10829	6.6
195.11659	10.2
197.13249	8.9
199.11057	4.1
199.14832	9.3
201.16461	8.0
205.15889	3.7
206.10844	4.1
207.11691	7.9
209.13271	13.7
210.14029	4.9
211.14859	8.9
221.13164	6.8
223.14763	5.1
233.13205	3.0
235.14804	6.7
239.23764	4.5
241.19478	3.9
245.13443	3.5
262.01541	3.5
348.44070	3.4
393.27707	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	393.321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80729	0.9
51.22321	0.8
55.05511	3.8
57.03432	1.4
57.07074	49.0
67.05498	2.4
69.07063	4.3
70.55743	1.9
70.56081	1.5
71.08630	35.9
72.49168	0.7
73.06567	5.2
81.07057	3.8
83.08619	4.0
83.74383	0.8
85.10181	27.1
87.04466	2.0
89.06030	100.0
90.06381	0.9
93.07027	0.8
95.08607	5.3
96.11086	0.8
97.10165	3.7
98.21408	1.2
98.98463	15.0
99.11741	5.1
107.07057	5.0
109.10148	2.9
113.00014	7.9
113.13335	1.2
117.09128	2.1
123.11722	1.1
130.08650	2.9
133.08598	36.2
136.67792	0.7
142.62814	0.8
151.09645	3.0
155.01048	17.3
155.17996	2.5
169.02605	6.7
171.72528	0.7
177.11227	4.6
179.03447	1.1
195.12340	2.2
205.86838	0.9
239.14868	6.8
239.23645	1.1
243.23256	1.4
393.32291	1.3
400.24033	0.9
419.78705	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56202	2.7
53.00254	2.7
55.05507	5.7
57.03436	5.0
57.07080	40.8
67.05523	15.2
69.07072	8.6
71.08637	29.7
71.58863	4.1
74.69315	2.7
79.05505	4.5
81.07064	20.3
83.08617	15.5
85.10181	13.2
90.55962	2.7
95.04953	2.9
95.08602	24.5
97.10151	4.1
98.98468	69.3
109.10168	17.0
119.08585	4.1
123.11703	9.6
153.96619	2.7
155.01041	100.0
239.23805	4.9
297.96698	3.2
312.93588	3.0
313.15085	2.8
393.29898	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	393.248
Annotation	Sedumoside A3
Peak:m/z	Relative Intensity
55.01869	13.3
55.05513	9.6
65.11748	7.5
67.05493	8.5
69.03428	22.3
69.07067	15.0
70.06596	29.5
71.05016	12.2
71.57825	11.5
72.08137	14.3
72.20061	6.5
79.05500	8.1
81.03403	53.7
81.07077	12.5
84.04486	14.4
84.08153	15.0
84.78249	7.1
85.02904	11.4
86.09705	64.1
90.41681	7.2
91.05481	19.6
93.07045	13.4
95.04954	7.9
95.08612	22.4
97.02880	8.9
99.04449	18.7
107.04967	17.3
107.08597	16.6
109.02845	8.4
109.10136	10.4
109.74233	7.3
117.13401	6.7
120.08099	50.4
121.10132	14.7
129.10258	10.8
133.06470	7.4
136.07597	17.1
140.07048	7.6
147.04436	14.9
147.09143	17.7
151.03903	8.3
157.71736	7.9
173.07085	11.5
175.08705	14.9
177.16374	42.3
191.08186	100.0
195.17451	13.8
262.16592	9.8
267.01764	8.6
299.87967	9.0
307.12915	22.7
375.11630	15.3
393.13144	9.1
417.62613	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	393.1881
Annotation	Met Arg Ser
Peak:m/z	Relative Intensity
55.05525	0.5
55.25785	0.5
56.22248	0.4
67.84216	0.4
71.58814	0.8
79.05496	0.5
79.49111	0.5
81.03415	0.5
81.07066	0.9
85.10074	0.4
86.09683	0.6
91.05470	0.8
93.07027	0.6
95.08594	0.7
97.06519	0.6
105.07004	0.8
109.06519	0.4
109.10223	0.6
119.08627	0.5
120.08107	0.4
121.92708	0.5
123.08059	0.6
137.05936	0.5
139.03862	0.5
150.07747	0.6
163.04034	0.5
173.13228	0.5
187.07452	0.6
199.40901	0.4
203.05344	4.6
203.10759	0.6
211.10304	0.6
227.10710	0.6
231.13693	0.6
259.06464	0.5
393.18820	100.0
394.19128	4.7
410.09570	0.6
417.51999	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16407	0.6
57.90632	0.5
60.40859	0.5
67.05502	0.7
69.03436	0.7
70.83768	1.8
75.84927	0.5
81.07048	1.2
85.02869	1.1
91.05488	1.4
93.07069	0.9
95.08605	1.3
95.12617	0.5
97.02888	0.9
97.06531	0.7
98.79919	0.6
101.17126	0.6
105.07036	0.8
107.08614	0.6
109.10162	0.9
117.21204	0.6
119.08490	0.7
133.10101	0.5
135.08092	0.7
177.20094	0.5
185.13252	1.1
201.03761	1.4
203.05264	39.9
213.12502	6.0
221.08098	1.9
231.13863	0.9
346.96719	0.6
393.18842	100.0
394.19073	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	393.188
Annotation	Met Arg Ser
Peak:m/z	Relative Intensity
50.62010	0.6
55.05500	0.7
56.33929	0.6
67.05496	1.2
69.07072	1.1
70.49055	2.5
79.05491	1.0
79.23755	0.5
81.03408	0.7
81.07046	1.1
85.02895	1.3
91.05501	1.0
93.07050	1.3
95.04980	0.7
95.08625	0.8
104.66688	0.7
105.01906	0.7
105.06992	0.9
119.08599	0.9
121.06539	0.7
123.04491	0.7
181.06564	0.7
190.05823	0.7
193.33716	0.7
201.09108	1.5
202.09393	1.1
203.05255	29.6
213.12491	5.2
227.10641	1.0
229.11345	0.7
289.13510	1.1
393.18817	100.0
394.19196	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	393.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	6.0
57.03431	4.5
57.07076	34.5
58.22434	1.2
58.34668	1.2
67.05501	16.6
67.94878	1.2
69.07083	9.0
69.35789	11.9
71.08630	26.0
79.05477	2.0
81.07056	17.9
83.08624	10.7
85.06573	1.2
85.10185	15.4
91.05458	1.2
93.07038	2.7
95.08602	23.9
97.10155	6.1
98.20776	2.0
98.98466	70.3
105.07048	1.5
109.10159	12.1
111.11667	1.7
116.99503	2.4
119.08590	2.3
123.11702	5.7
131.03374	1.4
137.13243	1.4
151.14888	1.3
155.01041	100.0
162.79448	1.2
165.12668	1.8
173.02267	1.3
211.05777	1.2
239.23656	5.9
295.58658	1.2
319.26505	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.4
68.05003	1.2
70.06590	0.5
71.57596	0.7
73.02893	1.1
83.04900	0.3
85.02197	0.3
85.02872	0.5
89.93164	0.3
91.05481	0.7
93.07024	0.4
97.02872	0.4
97.03451	0.3
113.07581	0.3
124.05064	0.6
125.05997	2.0
130.05008	0.9
135.07983	0.3
137.05959	0.4
140.03400	1.2
144.74307	0.3
148.05139	0.3
149.04579	0.8
151.03915	5.1
151.05028	0.5
157.10046	0.4
166.07260	0.8
171.06665	0.4
172.06068	0.8
179.07042	1.5
189.06436	0.7
197.08144	2.4
201.06433	1.8
202.07216	1.9
203.08012	2.0
203.10663	1.2
204.08827	7.1
210.98991	0.3
214.07198	0.3
215.08069	2.2
216.08804	100.0
217.09471	2.4
218.10356	5.4
225.06459	11.1
226.07214	3.2
227.07982	1.4
228.08849	1.0
229.09610	1.1
229.11971	0.3
230.10365	9.0
240.08795	59.3
241.09444	3.2
246.09853	6.6
255.09969	0.5
258.09866	2.1
268.08325	4.5
271.13165	0.4
272.11395	4.0
283.09546	1.7
286.09192	0.4
300.10913	50.9
301.11197	1.1
311.08844	0.8
315.12042	0.9
333.13199	2.5
343.11530	2.2
361.12552	4.5
375.14175	3.0
380.00604	0.4
393.15146	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	393.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25313	0.5
59.86909	0.4
64.77753	0.4
68.05014	1.7
70.06578	0.7
70.13409	1.0
70.13805	1.1
73.02903	1.2
78.04510	0.4
81.07063	0.7
85.02872	0.6
86.09669	0.4
91.05462	0.5
95.04971	0.6
106.21578	0.4
107.08595	0.4
110.03677	0.6
124.05044	1.0
125.05992	1.7
130.05038	0.5
140.03432	0.6
143.66418	0.5
148.05017	0.5
149.05907	0.6
151.03914	5.5
151.05034	0.6
166.07321	0.6
172.06085	0.7
176.05753	0.4
179.07050	1.3
197.08087	2.2
201.06456	1.9
202.07249	2.1
203.08022	1.9
204.08821	6.4
215.08018	1.9
216.08809	100.0
217.09375	3.8
218.10364	5.2
225.06444	12.2
225.08578	0.9
226.07245	3.3
227.08029	1.2
228.08875	0.5
229.09613	1.6
230.10373	9.5
234.99112	0.6
240.08803	50.6
241.09441	2.8
246.09865	7.0
258.09830	2.4
268.08322	4.2
272.11362	3.3
283.09302	1.3
286.09296	0.7
300.10919	52.5
301.11169	1.9
315.12036	0.8
333.13129	3.0
343.11533	2.4
360.39987	0.4
361.12537	5.4
375.14233	3.0
393.15143	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.9
55.01865	1.3
56.05022	1.3
57.03441	3.3
58.55616	1.1
61.02923	3.8
68.05026	2.4
69.03428	14.0
70.06598	2.7
71.04996	3.0
71.47669	2.1
72.04499	1.1
73.02911	3.4
80.05012	5.0
81.03421	5.9
82.06565	1.7
83.05029	1.0
84.04514	4.2
85.02905	29.9
87.04472	2.0
87.05066	2.4
87.05588	31.8
91.03944	1.5
94.06605	1.3
95.06071	1.3
96.04503	3.2
97.02888	19.8
98.06038	5.6
98.97603	2.8
99.04464	4.9
99.05559	5.4
100.07604	2.3
108.04499	3.4
109.02882	5.1
110.06019	2.6
111.05582	4.2
113.07130	1.4
114.05557	1.4
116.98590	2.4
117.05510	4.2
119.01939	1.7
121.07663	1.9
122.06071	1.6
123.05564	2.4
124.03974	1.2
124.06273	1.0
125.03451	2.5
125.07108	5.3
126.05523	4.6
127.03933	15.6
134.99640	1.2
135.46074	1.3
137.07106	2.9
139.04996	5.7
139.08604	2.5
141.06577	2.5
144.06572	3.1
145.03926	1.0
145.04956	7.8
145.12329	1.0
146.08189	1.9
147.05528	2.6
147.08467	1.2
148.86812	1.1
149.07144	6.0
150.05519	1.2
151.08711	1.9
153.06595	14.6
161.02989	2.3
161.57019	1.0
165.06561	3.6
167.08154	9.0
168.06606	1.1
177.06602	8.9
179.08171	3.0
183.07689	2.0
185.06554	1.5
185.09258	4.3
186.07613	1.7
195.07628	19.7
197.09232	1.9
197.12149	1.3
203.10315	3.3
213.08717	37.0
214.07120	1.7
215.10263	4.0
231.09760	100.0
232.10204	1.5
237.02779	1.5
314.81696	1.1
328.25705	1.1
375.14023	2.0
393.15189	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	392.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89106	6.8
65.33460	7.1
67.05499	10.0
69.03423	7.2
71.58102	7.7
79.05491	27.9
81.07049	28.7
82.18533	5.4
83.04955	8.5
86.09705	14.3
91.05463	14.0
93.07040	53.9
95.04942	12.9
95.08585	13.5
97.06532	10.6
99.04439	14.6
100.17382	5.8
105.07018	28.7
107.08594	27.1
109.06526	15.2
111.08086	7.1
119.08576	11.3
119.92393	6.3
120.08089	25.9
121.06489	47.7
121.10111	9.5
127.07524	7.4
131.08546	6.2
133.10132	10.9
135.08076	11.3
136.77753	6.7
137.05922	7.1
147.11699	29.6
149.02339	8.5
151.11301	6.1
153.01906	6.6
153.09148	7.9
157.10126	7.6
160.08842	7.0
161.13266	6.8
171.11673	19.2
173.13206	6.5
175.11198	22.8
189.12717	22.6
191.10597	6.5
193.12250	12.1
199.11171	14.6
207.13861	20.5
211.13332	7.5
217.12224	55.7
227.08421	18.2
235.13280	100.0
253.14342	58.0
330.24127	9.4
346.15662	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	391.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07060	1.5
67.05512	1.1
67.94616	0.7
69.48316	0.9
69.48641	7.1
70.06570	2.6
71.08659	0.9
81.79939	0.8
88.07619	0.8
121.06480	0.9
149.02353	5.5
167.03441	0.9
207.25876	0.9
285.29822	1.5
329.32373	3.2
331.54837	0.8
373.34967	0.8
391.24542	100.0
391.35950	14.1
392.24869	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	391.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	9.4
55.05495	7.3
57.03435	5.9
57.07064	11.6
58.06598	12.4
65.03949	6.0
67.05499	22.0
69.03421	7.7
69.07053	20.6
70.06567	7.4
71.08616	5.1
71.59285	8.9
72.08125	5.5
79.05488	43.8
81.07051	20.0
83.08641	6.3
84.08148	13.3
85.02881	9.9
91.05480	45.7
93.07055	33.7
95.04964	19.1
95.08588	30.3
97.06535	52.4
97.10227	6.5
100.11206	12.0
102.09180	7.1
103.05460	9.8
105.07031	64.4
107.04967	9.2
107.08591	100.0
109.06487	7.8
109.10142	18.9
112.07602	9.5
115.05463	8.4
117.06995	27.3
119.04986	6.2
119.08571	25.4
120.08071	7.7
121.06523	10.7
121.10110	19.7
123.04410	9.4
125.00568	9.3
129.06960	11.1
131.08556	52.7
133.10127	27.1
135.08041	10.9
137.05984	9.0
141.07079	8.4
143.08575	20.2
145.06468	12.7
145.10121	72.0
147.04405	9.7
147.08006	7.9
147.11702	26.2
149.02357	55.3
149.05965	6.7
149.09645	8.8
149.84033	6.0
155.08553	9.1
157.10143	13.8
158.07309	6.7
159.08070	6.7
159.11681	23.6
161.09624	10.0
161.13289	9.0
163.07576	5.9
167.07016	6.8
169.10149	8.9
171.11729	6.7
173.09639	36.0
173.13129	6.1
175.11221	13.0
177.09178	5.5
181.04912	10.2
183.05327	7.5
187.11150	13.2
189.12692	7.6
191.07019	8.7
191.10706	27.7
197.13316	7.0
199.11102	6.6
199.14542	13.7
201.09120	31.2
201.12695	6.3
203.10683	7.4
213.12852	5.8
227.10701	12.4
228.04745	39.5
229.05093	96.5
229.08727	5.8
230.04404	18.2
241.08612	10.7
247.09535	7.1
253.19510	26.0
259.09601	9.2
271.20535	22.4
282.39252	5.7
287.12857	29.9
309.22070	7.7
313.10696	7.1
319.20526	8.4
337.21530	47.1
355.22635	45.2
359.12198	19.9
373.23920	14.0
377.13684	6.3
391.17233	8.4
393.94858	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	391.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	0.8
56.96560	1.6
57.07058	1.1
59.88055	0.9
61.02925	1.7
67.05501	2.7
69.03423	0.9
69.07043	1.5
69.42593	2.5
69.43016	5.1
71.08643	1.0
79.05492	1.8
81.07043	2.9
81.32766	0.8
83.04889	0.8
83.08620	1.2
85.02893	1.2
90.63199	0.9
91.05475	1.7
93.07032	1.9
95.04939	1.1
95.08597	1.2
105.06993	0.8
107.08607	1.7
109.06499	1.6
109.10156	2.0
120.75240	0.7
131.08606	1.1
133.10117	0.8
145.10201	1.1
149.02357	5.6
165.12732	1.0
167.03444	1.1
177.55269	0.7
187.77435	0.8
229.14374	0.8
230.39442	0.8
245.87675	0.9
271.08572	1.1
289.09625	1.1
321.16696	1.8
351.18314	1.0
369.19858	1.3
387.36786	0.8
391.24533	100.0
392.24747	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68785	0.7
56.96557	2.6
61.02909	0.9
61.17550	0.7
66.45593	0.7
67.05498	2.2
69.03412	0.8
69.07057	0.8
70.31777	0.8
70.32086	3.7
78.93728	0.7
79.05475	2.2
81.07040	2.7
83.04974	1.0
84.01701	0.7
85.02917	1.2
86.99500	0.7
93.07041	2.5
95.08610	1.7
97.02886	1.1
98.21375	1.0
107.08582	1.0
121.10123	0.9
131.08560	0.8
149.02333	4.6
169.10201	0.9
203.05705	0.8
206.74876	0.7
215.11308	0.7
269.10635	2.1
270.10889	1.7
285.10129	4.3
286.10446	0.8
287.11667	2.7
288.11975	1.4
329.32285	1.0
391.24561	100.0
392.24899	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	391.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77423	0.4
56.96547	1.1
61.02925	0.5
62.51730	0.4
67.05509	0.6
69.03430	0.5
69.95472	2.7
79.05488	0.6
81.07064	0.8
91.05465	0.5
93.07029	0.6
122.87043	0.5
149.02357	2.4
269.10574	0.7
287.11725	0.6
391.24539	100.0
392.24847	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	391.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84258	1.0
55.01862	1.2
61.02915	4.5
67.05482	1.5
68.33507	1.0
69.03419	1.9
70.47662	3.1
79.05479	2.9
79.70699	0.9
81.03412	2.2
81.07047	2.5
85.02882	1.9
91.05474	5.3
93.07027	1.3
94.04167	2.4
95.04955	2.7
97.02920	1.4
97.24063	1.1
103.05480	2.0
105.07020	4.1
107.04933	4.1
107.08569	1.0
109.06506	3.7
109.10139	1.6
115.05429	1.9
119.04924	2.0
119.08588	1.2
121.02850	1.0
121.06540	5.5
121.34853	1.0
122.03641	7.5
125.09607	2.0
129.06998	1.2
131.04932	5.6
133.06436	2.0
135.04384	2.1
137.05971	100.0
138.06306	2.0
145.06517	1.4
146.03624	3.4
147.04405	3.5
149.02315	8.7
149.05978	11.7
151.07523	4.8
152.06212	4.1
153.06992	7.9
155.03532	1.0
156.08241	1.1
161.05968	28.5
163.03812	1.6
163.07497	1.9
165.05656	1.7
165.06964	9.1
166.07687	1.8
167.07143	1.7
167.08559	3.0
169.06427	2.1
175.07523	2.6
177.05502	2.0
177.07007	1.6
178.07780	2.6
179.07019	3.4
179.08542	3.0
180.05640	3.1
181.04959	1.6
181.06441	12.2
181.09912	1.8
182.07204	4.6
182.08698	1.2
183.08124	1.6
185.09586	1.6
189.05458	2.6
189.07004	1.5
191.04863	1.3
191.06987	1.5
192.05775	1.4
193.04947	3.0
193.06482	5.4
194.07220	5.1
195.08015	5.0
196.05141	1.9
197.06003	5.8
197.09532	1.7
198.06767	1.3
201.09122	4.1
203.07007	3.9
205.06544	2.5
207.08035	3.4
208.05139	3.9
209.05943	4.1
209.09509	1.3
210.06773	7.8
211.07481	3.8
212.08258	1.3
213.09027	6.4
217.06499	1.4
219.04593	1.2
219.06537	2.2
221.05949	8.9
222.06793	6.7
223.07555	4.5
223.11099	1.6
224.08223	3.0
225.05464	4.4
225.09041	11.9
227.10672	3.7
229.13316	2.6
231.06416	2.1
233.05916	2.0
234.06796	5.0
235.07486	4.9
236.04700	2.2
237.05357	3.7
237.09146	3.1
238.06175	3.6
239.07027	1.8
240.07814	4.5
241.08548	7.5
249.05420	1.4
249.09155	1.9
250.06313	2.6
251.07005	5.9
252.07721	2.1
253.08582	34.0
253.11116	2.3
254.09193	1.8
255.10310	2.3
258.08917	1.7
261.05573	1.4
262.06198	2.3
263.07047	3.1
265.08566	4.8
268.07474	3.9
269.08176	2.5
269.11707	1.4
270.08884	4.0
273.11188	25.3
273.13980	1.9
277.08539	4.9
278.05652	1.6
279.06427	2.6
280.07419	1.4
283.09668	3.1
284.10147	1.4
285.11243	17.3
293.08038	3.4
295.09723	4.1
299.09171	6.0
305.08002	2.4
311.09131	19.8
313.10602	2.0
315.08582	7.6
323.09137	3.9
324.09818	2.0
325.10699	7.1
327.12167	3.8
329.10187	1.7
337.10645	5.0
341.10226	14.5
343.11624	3.6
345.04599	3.6
355.11761	8.2
361.12723	7.0
363.05606	1.8
368.06241	1.7
373.12839	8.2
391.14273	8.7
391.22736	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	391.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01877	2.1
55.05502	2.1
57.03436	2.5
57.07058	0.7
65.03940	1.3
67.05508	3.4
67.48106	0.7
69.03455	1.6
69.07078	1.0
69.66534	0.7
70.88972	2.2
71.04988	1.5
71.08618	0.7
79.05495	2.4
81.03408	1.9
81.07059	3.7
83.04990	2.1
85.02917	0.9
91.05487	3.1
93.07031	2.1
95.04984	2.7
95.08604	2.1
97.06528	8.3
105.07037	3.2
107.04946	3.6
107.08598	1.7
109.06610	1.0
115.05464	2.3
117.07028	3.2
119.08589	1.2
121.06505	0.8
121.10207	1.0
123.04445	1.9
125.21853	0.9
128.06233	2.5
129.06126	1.2
129.06992	7.3
130.07838	1.5
131.04939	1.0
131.08543	2.5
135.04396	1.9
135.08015	0.9
141.06952	1.3
143.08537	3.9
144.05746	1.7
145.06490	6.7
145.10126	2.2
147.04424	3.8
147.08044	1.2
149.02335	6.2
152.05980	0.8
153.05559	1.7
153.07021	5.1
154.07776	2.2
155.08557	7.6
157.06485	8.6
158.07266	2.5
159.08070	1.2
160.05202	2.0
161.06004	1.9
163.07542	1.3
165.07062	3.1
166.07788	2.8
167.03432	1.1
167.04948	1.2
167.08643	1.0
168.05714	2.3
169.06493	2.2
170.07260	5.2
171.04483	1.8
171.08038	6.4
171.11755	2.1
173.06012	2.7
173.09688	2.3
181.06480	1.3
181.10120	2.7
183.08072	3.5
184.05202	0.9
184.08763	6.1
185.05972	6.9
185.09584	2.0
186.06799	3.2
187.07503	1.7
188.08331	1.9
195.07973	0.8
198.06783	3.0
199.07573	3.2
199.11186	16.6
201.09109	92.3
202.09518	4.0
208.08841	0.9
209.09575	4.2
212.08383	1.5
213.12741	1.2
225.09164	7.3
227.10664	100.0
228.08995	0.8
228.10921	4.4
241.12271	7.2
243.10257	1.2
245.08127	2.2
245.11758	1.9
251.10654	1.2
259.09772	1.4
269.11716	20.3
270.11719	1.0
287.12787	19.8
288.13202	1.4
313.10812	0.7
350.59805	0.8
360.50253	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19088	0.7
51.02390	0.8
53.03938	2.4
55.01864	1.9
55.05508	2.7
57.03435	1.8
67.05505	5.2
69.03425	6.8
69.07071	3.5
77.03939	1.3
79.05489	18.0
80.06258	1.6
81.03410	2.2
81.07057	6.8
83.04966	3.8
85.02892	1.0
91.05475	4.4
93.03370	1.3
93.07027	2.5
95.04967	8.9
95.08608	1.2
96.05761	1.1
97.02892	1.0
97.06533	9.5
103.05474	6.0
105.03373	1.2
105.07030	4.0
107.04958	2.2
107.08592	0.8
109.06481	0.8
109.10165	1.3
115.05450	5.6
117.07020	5.2
119.04939	1.7
119.08578	1.2
121.06526	1.1
123.04425	20.1
128.06210	2.7
129.07007	8.3
130.07785	2.2
131.04927	15.7
131.08575	2.5
132.05687	2.7
133.06471	7.0
134.03651	1.5
135.04361	0.8
139.07465	1.3
141.06990	2.9
142.07751	1.1
143.04916	2.2
143.08540	2.4
144.05701	2.4
145.06491	9.0
145.10118	2.2
147.04385	9.4
147.08034	1.0
148.05110	1.1
149.02310	2.7
149.05962	5.8
153.06982	2.2
153.66165	0.9
155.06093	0.8
155.08521	3.7
157.06464	4.7
157.10130	1.7
158.07271	3.7
159.04404	2.6
159.08049	4.8
160.05185	5.7
161.05960	4.2
163.07504	1.6
165.05504	1.5
165.06990	2.7
166.07748	2.1
167.08488	1.0
169.06468	2.0
170.07251	1.5
171.04419	1.6
171.08017	3.0
173.06004	3.9
173.09581	2.0
174.06721	0.9
175.07530	0.9
181.06609	0.9
181.10100	2.1
183.08014	3.8
184.08812	1.7
185.05977	3.0
185.09549	4.4
186.06741	2.3
187.07567	1.7
188.08301	9.3
189.08772	0.9
191.07010	1.4
195.62114	0.8
199.07555	2.4
199.11183	6.3
201.09096	100.0
202.09668	7.4
203.06979	0.9
207.06430	0.8
209.09590	2.5
212.08292	1.2
215.58879	0.7
219.06497	3.1
223.11232	1.0
225.09032	2.6
227.10660	47.9
228.10959	1.9
233.08083	2.6
241.12187	3.4
243.09981	0.9
243.13635	1.0
245.08070	11.6
246.80547	0.7
269.11737	8.4
287.09534	1.7
287.12766	35.6
391.14178	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.0
53.03936	2.9
55.01859	2.3
55.05502	3.5
57.03430	2.0
57.07069	1.0
65.03915	1.4
66.10835	0.7
67.05495	7.2
69.03438	5.7
69.07061	3.3
69.83286	0.8
70.04716	3.3
71.05006	1.0
79.05491	23.6
80.06261	1.2
81.03406	3.3
81.07053	7.7
83.04993	6.0
85.02893	1.0
87.00803	1.2
91.05472	5.8
93.07051	2.2
95.04973	9.9
95.08583	1.7
96.05719	1.4
97.02906	1.0
97.06525	14.6
103.05470	6.9
105.03431	1.4
105.04470	1.0
105.07028	3.5
107.04932	2.4
109.00674	1.0
109.10152	1.2
115.05437	5.1
117.07030	6.5
119.04929	1.1
119.08585	1.4
121.02855	0.9
123.03564	1.5
123.04428	25.3
125.48904	0.8
128.06213	3.2
129.06987	7.6
130.07779	1.3
131.04927	17.4
131.08553	3.3
132.05733	3.9
133.06503	7.1
134.03641	2.0
137.06027	0.8
139.07538	1.3
141.07011	2.9
142.07750	1.7
143.04901	2.3
143.08551	1.9
144.05693	2.5
145.06482	10.3
145.10120	1.6
147.04410	10.7
148.05157	1.0
149.02292	4.3
149.05957	5.9
153.06964	2.3
155.05952	1.0
155.08528	4.3
157.06470	5.9
157.10048	2.1
158.07239	5.2
159.04416	3.8
159.08055	6.4
160.05196	5.7
161.06009	5.0
163.07492	1.4
165.06990	2.6
166.07790	2.4
168.05769	1.0
169.06479	2.3
170.07356	1.2
171.04396	2.1
171.08051	3.5
171.11644	1.0
173.05977	5.6
173.09589	2.4
173.11842	1.2
181.10104	3.2
183.08025	1.8
184.08752	2.1
185.05989	2.9
185.09579	3.3
186.06746	2.1
187.07535	1.8
188.08331	6.8
189.09036	1.0
191.07042	1.3
195.07971	1.2
199.07538	2.2
199.11215	6.5
201.09097	100.0
202.09753	6.8
203.06999	1.4
209.09657	2.8
219.06516	3.7
225.09113	2.1
227.10666	50.5
228.11017	2.5
233.08003	2.0
241.12242	3.2
243.10339	1.6
243.13744	1.1
245.08076	12.7
245.10597	0.9
245.11760	1.7
269.11703	10.1
287.12772	41.1
288.13199	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.2
51.20396	0.8
53.03952	4.2
55.01873	2.2
55.05508	3.1
57.03432	2.1
57.24171	0.9
62.70920	0.9
65.03936	1.6
67.05499	5.8
69.03409	4.5
69.07078	3.7
70.45723	0.8
70.57911	3.1
77.03951	1.1
79.05492	24.7
80.06274	2.4
81.03439	3.0
81.07059	7.7
83.04982	6.7
85.02904	2.0
87.00850	1.7
91.05477	5.7
93.03397	1.5
93.07040	2.6
95.04970	12.0
95.08581	1.7
96.05791	1.5
97.06528	19.9
97.07144	1.3
99.04461	1.4
101.35389	0.8
103.05455	8.4
105.04527	1.5
105.07017	5.7
107.04945	3.1
107.08621	1.4
115.05444	5.9
117.07008	7.3
119.04958	1.6
119.08570	1.2
121.06548	1.0
121.10139	1.0
123.04425	28.3
128.06218	2.1
129.06998	8.9
130.07768	1.0
131.04927	19.0
131.08577	2.7
132.05679	3.0
133.06464	6.7
134.03639	2.1
139.07542	1.1
141.07004	2.4
142.07774	1.9
143.04901	2.3
143.08580	3.4
144.05708	3.0
145.06496	11.0
145.10144	2.4
147.04395	11.5
149.02318	4.6
149.05977	9.4
153.07074	1.4
154.07889	1.2
155.08536	4.3
157.06503	6.2
157.10178	1.2
158.07253	4.4
159.04427	3.4
159.08025	6.3
160.05183	5.5
161.05983	5.7
163.07553	2.6
165.05635	1.0
165.07013	2.4
168.05684	1.2
169.06541	2.8
170.07291	2.0
171.04451	1.9
171.08086	2.9
173.05991	6.6
173.09660	3.2
181.10135	2.7
183.08127	2.4
184.08798	2.1
185.05994	3.2
185.09625	3.9
186.06804	2.8
187.07593	2.9
188.08353	7.7
191.07057	2.7
194.07428	0.9
198.06815	1.6
199.07494	1.8
199.11226	6.1
201.09108	100.0
202.09732	8.5
203.07024	1.2
209.09647	2.9
219.06593	2.6
223.11115	1.4
225.09103	1.5
227.10658	50.3
228.11070	3.2
233.08067	1.8
241.12173	2.5
243.10207	2.4
243.13837	1.4
245.08086	15.0
245.10535	1.2
245.11765	1.6
259.09738	1.5
269.11725	8.9
287.12790	47.1
288.13165	2.9
391.13898	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.1
53.03940	2.6
55.01866	1.7
55.05511	2.9
57.03426	2.0
65.03927	0.7
67.05512	5.3
69.03426	7.2
69.07075	3.4
70.33199	0.7
70.48603	0.5
71.08607	0.7
71.58796	0.9
77.03949	0.9
79.05493	19.2
80.06248	1.1
81.03423	2.7
81.07066	7.2
83.04979	3.8
85.02899	1.1
87.00829	0.8
90.04292	0.5
91.05491	5.7
93.03392	0.9
93.07027	2.2
95.04969	9.1
95.08597	0.9
96.05736	1.4
97.02862	0.7
97.06530	4.8
103.05002	0.5
103.05480	4.9
104.06333	0.7
105.01862	0.8
105.03376	1.5
105.04486	0.8
105.07040	5.1
107.04935	1.7
107.08545	1.4
109.06480	0.7
109.10165	1.2
111.08125	1.0
115.05444	5.1
116.06234	1.8
117.07021	4.1
119.04962	1.2
119.08556	1.3
121.02897	0.7
121.06497	0.9
123.04432	20.0
128.06250	3.3
129.07019	6.6
130.07777	1.5
131.04027	1.0
131.04938	14.4
131.08540	2.8
132.05695	2.4
133.06499	8.0
133.10089	0.9
134.03632	1.2
135.04485	0.7
139.07544	1.0
141.06953	2.1
142.07751	1.5
143.04897	1.5
143.08554	2.8
144.05698	2.2
145.06490	8.3
145.10097	1.8
147.04422	10.7
148.05156	1.6
149.02356	4.0
149.05980	4.7
151.03932	0.9
153.06963	1.7
154.07764	0.8
155.06125	0.8
155.08549	4.7
156.09389	0.7
157.06438	3.7
157.10103	1.2
158.07263	3.0
159.04457	2.6
159.08067	5.4
159.11732	0.8
160.05200	4.8
161.05980	4.8
163.07538	0.7
165.05605	0.8
165.07028	1.6
166.07741	1.9
167.08549	0.9
169.06520	2.5
170.07178	1.1
171.04433	1.9
171.08067	3.7
171.11639	1.2
173.06001	5.7
173.09621	2.2
181.06535	0.7
181.10101	2.3
183.08080	2.7
184.08826	2.2
185.06010	3.4
185.09593	4.5
186.06720	2.7
187.07492	1.9
188.08310	8.2
189.08965	1.3
191.07005	1.3
194.07167	0.6
195.11726	0.9
198.06792	1.5
199.07506	2.1
199.11172	5.7
201.09108	100.0
202.09749	7.5
203.07004	0.7
209.09662	2.5
212.08299	0.8
219.06583	2.9
223.11285	1.0
225.09119	1.8
227.10670	53.0
228.10991	2.0
233.08076	2.9
241.12259	3.3
243.13776	0.8
245.08101	11.2
264.23056	0.9
269.11722	8.0
270.12091	0.6
287.12799	34.5
288.13092	2.2
357.91998	0.5
373.28479	1.5
391.13751	1.2
391.24814	0.6
391.29541	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.3001
Annotation	NAGABA
Peak:m/z	Relative Intensity
55.01862	1.0
55.05505	0.9
56.96550	0.5
60.07251	0.2
69.07066	3.7
70.00372	0.8
70.00782	0.9
70.06594	0.4
73.02913	3.4
73.06556	2.1
79.05505	0.6
80.05695	0.3
81.07030	0.5
86.09679	0.8
86.95440	0.3
93.05792	1.8
94.06591	0.4
95.04984	0.3
97.06545	0.4
106.06540	0.8
107.07315	1.9
108.04475	0.9
117.05788	0.5
117.07001	0.3
119.08651	0.3
120.08102	1.0
121.08868	0.5
122.06012	0.5
122.09663	2.0
122.23552	0.3
130.06511	0.8
131.41634	0.3
132.08072	1.1
132.10207	0.4
133.10185	0.4
134.06032	3.0
134.09711	0.8
135.06754	0.5
136.11250	0.4
144.08060	0.4
148.07570	2.8
148.11209	0.6
149.02396	0.4
160.11165	0.4
162.09154	2.5
164.10707	3.0
176.10735	0.5
184.07341	0.5
232.20624	0.6
234.18524	1.2
234.22214	1.2
255.09077	0.3
258.22192	0.5
273.09787	0.3
276.23218	36.2
277.23547	1.8
278.17557	0.4
302.24771	0.5
313.60263	0.3
327.94150	0.3
328.32144	0.9
344.24274	0.3
349.16882	0.4
367.17963	0.8
390.30026	100.0
391.24570	9.9
391.30280	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	390.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	1.1
55.05480	1.3
56.96539	0.4
57.07060	0.7
59.04984	0.5
61.12099	0.3
67.05463	0.4
69.06729	0.4
69.07063	4.1
70.06563	0.9
71.08613	0.5
71.59135	0.5
73.02918	3.5
73.06554	2.4
79.05481	0.3
81.07039	0.4
86.09676	0.9
88.07610	0.3
91.05470	0.4
93.05775	2.0
93.07001	0.3
94.06556	0.3
97.06501	0.5
104.65211	0.3
105.06995	0.5
106.06503	0.8
107.07329	2.2
108.04440	1.0
117.05721	0.6
118.06480	0.6
120.08069	1.0
121.08819	0.4
122.06004	0.6
122.09651	2.4
122.77207	0.3
130.06503	1.0
132.08058	1.2
132.10159	0.7
134.06007	2.7
134.09653	0.9
135.06781	0.4
136.11186	0.4
144.08061	0.4
148.07581	2.9
148.11172	0.3
149.08383	0.4
150.09134	0.6
160.11189	0.6
162.09149	2.5
162.12814	0.7
164.10701	3.4
176.10703	0.5
184.07405	0.5
199.33875	0.3
224.80457	0.3
232.20616	0.6
234.18629	1.6
234.22173	1.8
257.33527	0.3
258.22189	1.3
276.23224	38.4
277.23590	1.1
278.17624	0.4
284.29669	0.3
302.24887	0.4
328.32040	0.9
356.79550	0.3
367.17963	0.8
390.30038	100.0
391.24612	7.3
391.30338	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	390.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	2.1
54.12142	2.2
55.05519	2.7
56.96565	9.6
57.03443	3.5
61.02921	5.3
69.03424	7.4
70.06592	9.6
71.26904	4.6
73.02924	4.1
78.48853	2.4
81.03423	5.0
81.07037	2.5
82.06534	3.4
84.04486	2.9
84.08136	2.8
85.02896	16.1
86.09684	3.1
91.05455	6.3
93.07023	5.6
95.04966	3.5
95.55515	2.5
97.02884	7.8
98.97588	20.0
100.13495	2.5
101.00858	2.7
103.05454	2.9
103.32511	2.3
107.04938	3.5
109.02871	3.4
109.66273	2.3
110.06000	3.4
112.07590	6.9
116.98606	21.0
119.01827	3.6
121.06504	100.0
122.02389	38.3
127.03909	4.3
128.98555	4.1
134.99677	14.1
136.07457	3.5
137.02953	2.6
137.05983	2.9
138.09138	28.1
140.03438	20.9
140.07039	6.0
141.01799	5.6
142.36581	3.1
143.01855	4.0
146.99631	5.4
147.05714	2.7
152.47107	3.0
153.01813	3.1
155.04768	2.8
158.99655	6.7
161.02933	6.5
168.14253	2.4
170.99689	3.5
177.00658	12.2
179.08260	3.5
195.01915	2.9
195.61261	2.9
196.06059	10.5
208.05643	2.8
214.07167	15.4
215.10304	4.1
219.01791	5.1
219.08020	2.6
228.03224	4.5
228.05191	2.6
228.08745	3.2
229.11852	9.0
237.02837	9.2
270.08163	4.9
280.99243	2.8
286.03433	3.0
291.07657	3.2
309.08609	13.0
390.10587	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	390.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	97.3
69.60834	60.0
70.69735	7.3
78.29109	7.7
98.21494	11.8
102.07104	7.6
108.64330	7.4
137.06000	37.3
146.99638	12.5
157.01659	10.9
160.55255	7.0
169.01796	8.0
171.03345	10.3
185.04854	14.6
189.04346	16.8
199.06439	13.8
203.05952	19.8
213.07918	10.8
217.07497	23.6
225.07895	13.9
231.09062	20.0
237.08052	10.1
239.05885	12.1
239.09633	11.5
243.09058	10.6
251.09523	11.1
255.08963	29.0
257.10620	9.4
267.08920	49.8
269.10599	86.8
273.10162	34.9
285.10083	100.0
287.11646	28.3
291.12708	9.0
292.12231	11.9
303.11401	11.9
308.11636	15.0
331.15796	15.0
349.16986	51.8
367.17941	88.3
385.19336	9.5
390.19437	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	390.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.4
56.96301	1.8
56.96566	26.2
57.07074	2.8
61.02912	4.1
66.93624	1.5
67.05492	4.7
69.07056	3.7
70.06588	16.2
71.08625	3.2
73.02897	1.9
79.05498	2.8
81.07060	1.6
84.08138	1.8
84.96014	1.8
85.02884	2.3
88.07629	13.0
91.05447	3.0
93.07033	3.6
102.09156	2.1
105.06984	1.8
114.09142	9.5
128.98573	2.8
130.08614	1.7
132.10194	27.0
146.99585	3.1
147.03314	1.4
155.03712	2.1
159.03220	1.8
165.33281	1.5
168.09134	1.6
169.01563	1.7
176.12798	3.5
185.04828	2.5
189.04326	4.5
194.13892	5.7
199.06435	3.4
203.05940	4.7
206.14966	1.5
207.07196	2.0
213.07993	6.1
217.07538	7.6
225.07961	1.7
229.89908	2.5
231.08975	9.1
239.09561	3.8
243.08981	4.0
249.08226	1.8
251.09579	3.7
255.08919	8.7
267.08948	11.5
269.10452	33.0
271.87750	1.6
273.10129	8.0
278.10590	2.1
284.29507	4.6
285.10110	24.0
287.11688	18.6
292.12210	6.9
293.42529	1.8
302.30630	2.1
303.11118	3.2
308.11642	5.1
331.15665	3.2
346.33102	3.0
349.16940	10.8
367.17914	16.3
385.19073	4.8
390.19336	3.9
390.35779	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	53.0
67.05519	4.5
71.58153	4.9
114.04194	4.4
124.80991	4.7
128.98607	5.6
130.26086	4.2
146.99654	6.5
155.03725	4.6
193.91737	4.1
225.08043	4.8
251.09486	6.3
263.09515	5.9
277.11084	15.3
279.12726	6.2
281.10443	7.7
295.12067	7.3
299.11548	9.6
324.67862	4.1
331.15729	45.0
334.27042	4.2
347.41595	4.5
349.16840	100.0
364.87827	5.0
367.17990	46.8
368.34036	4.9
372.18420	15.9
390.19177	8.8
406.41330	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	5.7
56.05039	5.7
57.03417	4.4
58.06612	4.9
61.02926	3.6
67.05484	5.7
68.05024	6.0
69.03441	7.8
70.06600	11.0
71.04974	3.9
71.33747	9.8
76.02203	3.9
79.05505	16.4
81.03431	4.5
81.07063	13.0
82.06573	18.4
84.04503	6.9
85.02893	11.3
91.05476	11.0
93.03442	7.3
94.04202	4.4
95.04965	10.4
95.08596	5.3
97.02882	6.7
100.07616	39.7
105.07045	15.4
107.04963	14.4
109.06506	4.9
113.04221	5.0
114.05513	4.0
115.05509	4.1
119.04946	12.5
121.06493	12.3
123.04436	14.3
123.33043	4.5
124.07594	10.0
131.05002	4.3
133.06509	18.5
135.04410	10.6
136.07587	5.0
137.05984	100.0
137.07053	4.9
140.07051	4.7
145.04980	5.4
147.04395	15.1
149.05963	39.1
149.07123	12.5
151.03853	5.8
151.07607	8.6
153.05472	5.6
161.05975	63.3
162.06857	5.1
163.03871	25.4
165.05455	15.7
165.06728	7.5
167.07097	7.6
174.03008	4.0
174.09618	4.4
174.11238	4.5
177.05501	17.8
179.07024	7.0
181.06424	10.1
189.05472	18.5
191.06996	11.6
192.10176	8.4
193.04964	13.0
193.08617	13.3
202.08618	6.3
207.06596	7.6
211.07559	6.3
211.09624	4.6
213.09113	9.1
220.09642	38.3
225.05057	4.1
228.12340	24.2
231.09087	4.6
238.10745	62.9
241.08691	5.9
243.11563	18.3
251.07059	5.1
253.08600	5.2
273.11264	17.4
285.11044	5.1
323.09305	5.8
325.10699	6.4
329.10223	13.7
341.10159	6.7
372.14453	39.4
390.14413	7.5
390.18799	54.3
391.14996	12.0
410.20709	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	390.191
Annotation	Epistephamiersine
Peak:m/z	Relative Intensity
53.03946	2.8
55.01852	1.8
55.05503	6.3
56.75602	1.8
60.59815	2.2
63.55246	1.9
67.05511	13.1
69.03423	6.6
69.07088	1.9
71.08725	1.8
71.09055	3.9
79.05493	15.4
81.07045	7.0
83.04977	3.3
89.73837	1.9
91.05478	10.6
93.07030	5.2
95.04971	7.9
95.08616	3.7
97.06541	4.5
99.04432	9.5
103.05469	4.5
105.07022	14.2
106.49327	1.7
107.04955	13.7
107.08556	4.0
109.06503	8.8
109.10155	41.0
110.06041	1.6
111.04427	4.8
111.46423	1.6
117.06989	2.8
119.08597	10.5
120.08105	87.8
121.06499	4.1
123.08132	2.7
128.06229	7.0
129.07011	4.4
131.04932	2.9
133.06477	2.7
133.10112	12.7
137.05939	2.5
137.09616	53.6
143.08585	15.9
145.10132	4.2
146.07288	5.4
147.08061	17.9
149.06026	2.7
151.03935	1.8
159.08058	2.7
161.09619	100.0
163.11185	5.2
165.09119	72.4
165.10521	3.9
166.08577	17.4
167.07036	2.7
174.06837	2.9
177.09811	3.0
179.10658	6.4
189.09128	26.6
207.10213	21.4
308.16479	5.4
326.17538	8.5
390.16507	2.6
393.13290	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	5.7
56.05039	5.7
57.03417	4.4
58.06612	4.9
61.02926	3.6
67.05484	5.7
68.05024	6.0
69.03441	7.8
70.06600	11.0
71.04974	3.9
71.33747	9.8
76.02203	3.9
79.05505	16.4
81.03431	4.5
81.07063	13.0
82.06573	18.4
84.04503	6.9
85.02893	11.3
91.05476	11.0
93.03442	7.3
94.04202	4.4
95.04965	10.4
95.08596	5.3
97.02882	6.7
100.07616	39.7
105.07045	15.4
107.04963	14.4
109.06506	4.9
113.04221	5.0
114.05513	4.0
115.05509	4.1
119.04946	12.5
121.06493	12.3
123.04436	14.3
123.33043	4.5
124.07594	10.0
131.05002	4.3
133.06509	18.5
135.04410	10.6
136.07587	5.0
137.05984	100.0
137.07053	4.9
140.07051	4.7
145.04980	5.4
147.04395	15.1
149.05963	39.1
149.07123	12.5
151.03853	5.8
151.07607	8.6
153.05472	5.6
161.05975	63.3
162.06857	5.1
163.03871	25.4
165.05455	15.7
165.06728	7.5
167.07097	7.6
174.03008	4.0
174.09618	4.4
174.11238	4.5
177.05501	17.8
179.07024	7.0
181.06424	10.1
189.05472	18.5
191.06996	11.6
192.10176	8.4
193.04964	13.0
193.08617	13.3
202.08618	6.3
207.06596	7.6
211.07559	6.3
211.09624	4.6
213.09113	9.1
220.09642	38.3
225.05057	4.1
228.12340	24.2
231.09087	4.6
238.10745	62.9
241.08691	5.9
243.11563	18.3
251.07059	5.1
253.08600	5.2
273.11264	17.4
285.11044	5.1
323.09305	5.8
325.10699	6.4
329.10223	13.7
341.10159	6.7
372.14453	39.4
390.14413	7.5
390.18799	54.3
391.14996	12.0
410.20709	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	390.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22548	2.0
53.03933	7.9
55.01878	12.1
55.05515	2.7
57.03420	5.6
60.04526	1.9
61.02914	6.7
65.02279	2.2
67.81215	2.0
68.99783	3.6
69.03432	30.5
69.07034	2.8
69.75286	10.7
69.75701	3.2
69.98242	2.0
70.06586	3.2
70.43527	2.1
71.04974	6.5
73.02900	8.5
74.39211	2.4
80.05018	1.8
81.03413	31.5
82.00331	2.1
84.08128	1.9
85.02905	100.0
87.00829	29.5
89.07371	1.9
91.03957	2.5
91.05478	4.8
95.04984	3.7
95.08547	1.9
97.02899	35.7
97.90175	2.1
99.04455	14.9
105.01871	27.5
105.07027	3.7
107.04929	3.1
108.04503	10.2
108.05142	1.8
109.02886	37.0
110.03207	2.3
117.01849	4.2
119.04955	2.7
119.08481	2.4
121.10160	2.1
123.04472	2.0
126.05495	5.5
127.03922	79.5
129.01837	4.2
137.05956	4.0
142.09760	2.0
145.04962	40.1
147.02879	3.7
147.04376	4.8
147.08069	1.9
148.04767	4.4
159.02901	27.7
167.07050	4.0
181.04987	2.1
191.07047	3.8
213.03914	4.1
221.98549	4.1
225.73561	2.3
230.06610	3.4
231.05026	16.9
248.07568	2.6
255.97377	2.2
317.97098	2.1
354.21393	2.2
372.13385	2.8
390.02948	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	390.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44006	0.4
55.42656	0.5
57.03453	1.8
63.08285	0.3
69.03429	0.7
69.61058	3.0
70.06593	100.0
71.01360	2.0
71.06921	1.3
71.99792	0.3
73.02928	2.3
75.04465	0.4
81.03443	0.4
84.04519	0.6
85.02908	5.2
86.09692	0.5
97.02924	2.1
99.00817	0.6
99.04474	0.7
101.02389	0.5
103.03933	0.5
112.07608	71.8
113.02367	1.3
113.07954	1.3
116.07089	0.9
118.08012	0.4
131.03387	1.3
138.28140	0.4
140.07068	29.3
141.01877	0.5
141.07405	0.6
146.36589	0.4
150.07933	0.3
158.08122	4.0
159.02852	0.8
163.03949	0.6
172.09663	0.9
214.10751	22.4
215.11034	0.4
228.12318	0.4
229.15544	0.7
232.11827	0.5
242.10219	0.6
256.11829	2.8
344.13504	0.4
372.13013	2.2
390.13940	5.7
391.11862	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96582	1.8
67.05511	3.6
68.05043	1.5
69.03426	10.3
69.07066	3.5
69.76786	10.9
70.73923	1.6
73.02911	1.6
81.03409	5.3
81.07068	1.7
84.08183	1.4
84.86316	1.6
85.02907	16.9
87.04442	2.7
91.05482	2.1
93.07025	2.1
94.06553	10.1
95.05006	2.0
95.08616	2.2
96.95039	1.4
97.02893	7.2
99.04443	2.1
101.89359	1.6
110.06054	6.5
110.57906	1.4
112.07588	2.6
116.09173	1.5
121.06528	1.9
122.06037	38.3
123.04447	3.1
124.07607	4.8
127.03966	2.3
136.07613	5.8
138.09155	2.9
139.07547	2.5
140.01828	1.6
140.07063	80.8
142.08640	6.2
145.04967	2.0
147.07951	2.3
154.08633	13.8
162.17236	1.6
163.03920	3.0
164.10692	4.6
172.14308	1.5
176.97192	1.8
182.11774	2.6
183.72887	1.5
192.10271	2.8
208.99757	1.6
210.11229	9.6
228.12308	100.0
237.02896	3.0
264.85831	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.9
55.01871	12.8
57.03428	7.6
60.04519	2.0
61.02919	8.1
68.99790	5.8
69.03079	2.3
69.03429	33.3
70.93021	1.4
70.93372	2.0
71.04977	5.9
73.02919	12.2
78.43155	1.3
81.03416	30.5
83.01336	1.6
85.02901	100.0
87.00301	2.2
87.00829	37.8
91.03968	3.4
97.02887	45.7
98.06003	1.7
99.04447	16.9
105.01865	33.4
107.04989	1.5
108.04485	11.2
109.02877	38.6
115.03942	1.4
117.01843	5.7
125.69170	1.0
125.79073	1.0
126.05505	5.2
127.03911	75.8
128.04303	1.6
129.01834	4.2
137.05957	1.6
145.04955	47.4
147.02885	4.0
159.02875	29.1
159.04111	2.3
167.07082	1.6
169.29825	1.1
177.03932	1.5
213.03946	2.4
230.06645	3.9
231.05016	13.1
233.08109	3.9
248.07628	4.7
249.06038	1.8
268.82132	1.3
316.79837	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01863	1.0
57.03425	0.8
59.06108	0.6
69.03424	2.5
69.07066	0.6
70.06570	1.4
70.39153	0.7
70.39539	1.0
73.02911	0.6
79.05125	0.5
79.05495	5.3
81.03418	2.9
84.08133	0.6
85.02908	7.0
86.09669	1.0
87.00835	2.3
87.04460	0.7
89.06016	1.1
95.04980	3.0
97.02896	3.4
99.04458	1.1
100.07658	0.5
103.03947	0.7
105.01859	3.8
107.04951	100.0
108.05293	1.5
109.02878	2.4
121.06480	0.9
123.04440	0.8
124.07618	0.9
125.02383	0.7
127.03899	5.2
135.04372	0.5
139.03926	1.2
143.03398	0.9
145.04968	2.4
145.06464	0.6
147.02931	0.5
147.04414	0.8
149.05948	1.2
151.03874	0.7
153.01794	0.9
153.05478	1.9
159.02921	0.9
161.05956	1.1
161.56116	0.5
173.06059	0.7
178.04924	0.5
184.09834	0.7
189.03867	0.8
191.07092	0.7
213.03888	1.2
215.07030	1.5
228.12463	0.5
231.05008	2.2
238.10745	0.6
249.06142	1.2
266.53348	0.4
284.09729	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.5
56.05036	7.7
56.96548	1.2
58.04082	3.6
60.05649	5.8
62.48082	1.0
67.05495	4.0
69.07050	1.0
69.63040	7.6
72.04511	22.1
74.02448	2.3
74.06084	9.3
76.05124	65.4
81.03407	1.2
81.07066	2.0
85.02898	1.8
91.05475	1.7
93.07046	1.6
95.08601	3.9
98.03542	2.3
99.04312	6.3
100.05107	2.6
102.03017	2.2
102.05545	6.8
102.97704	1.1
103.05461	1.2
105.07018	1.2
109.10136	4.0
114.06670	1.3
116.04597	3.7
118.05017	21.0
119.08613	1.2
120.06586	4.8
121.10165	1.5
123.04420	3.1
131.04944	2.5
131.09332	1.7
137.05962	6.2
138.06297	1.1
139.03923	1.4
141.05339	3.3
141.33784	1.1
143.76164	1.2
147.04344	1.1
151.03915	2.0
159.08783	3.8
160.07167	30.3
163.03911	1.1
163.07545	1.4
167.06998	2.8
177.09824	100.0
181.04932	7.9
189.09132	1.1
193.08646	2.0
209.08115	2.2
214.51036	1.1
219.10219	1.1
232.50845	1.0
239.20154	3.8
239.51416	1.0
270.18268	2.7
326.37039	1.4
359.14383	1.3
371.22897	4.1
389.16379	2.1
389.23981	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	389.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58004	0.8
56.96533	0.8
67.95734	0.7
69.03454	0.7
69.92699	2.3
69.93105	2.6
70.57178	0.9
124.55976	0.8
276.23184	1.3
348.15543	1.0
363.45352	0.8
389.22974	100.0
390.23309	5.1
390.30173	1.2
390.35495	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2392
Annotation	Ala-Leu-Val-Ser
Peak:m/z	Relative Intensity
52.48077	0.8
53.03936	1.8
55.01858	3.2
55.05520	4.1
56.04790	1.1
56.05038	15.5
56.96561	1.1
57.03423	3.4
58.04082	4.7
59.04844	1.2
60.04528	1.8
60.05640	2.4
61.02917	1.5
67.05508	4.4
68.05040	1.1
68.95532	0.8
69.03423	9.5
69.04552	6.7
69.07062	5.2
70.06578	2.6
70.93455	2.3
71.04976	4.3
72.04510	16.9
73.02912	3.2
74.02451	5.5
74.06077	12.6
76.05123	33.3
78.00075	0.9
79.05479	4.7
81.03413	8.6
81.07067	7.5
82.06555	2.3
83.04969	1.2
84.04496	1.4
84.08120	1.7
85.02901	26.4
86.03530	2.0
86.06058	0.8
86.07159	1.0
86.09699	11.7
87.00827	9.2
87.07920	0.9
91.03960	1.0
91.05469	2.0
93.07026	6.0
95.04929	1.4
95.08574	2.4
96.05611	20.4
96.08131	1.3
97.02882	10.4
97.06519	1.4
97.10189	1.3
98.97609	1.2
99.04443	5.0
102.05550	5.3
104.04570	0.9
105.01865	7.3
105.07034	1.8
107.04920	0.9
107.08597	2.6
108.04470	3.1
108.05592	1.0
108.08094	1.0
109.02881	9.5
109.06495	1.2
110.07168	2.7
110.09775	0.7
111.08030	0.8
111.10457	0.8
114.06641	6.6
115.07428	1.3
116.08193	4.8
117.01896	0.8
118.05009	11.3
120.06572	4.9
121.10122	1.8
122.07159	2.5
123.04466	0.8
126.05514	1.0
127.03905	17.7
128.08197	3.7
133.10124	0.9
135.07622	1.5
138.12743	6.0
142.09756	1.1
145.04938	8.6
147.02896	1.0
151.03891	2.3
156.11288	1.0
159.02876	6.1
160.07175	7.4
166.12280	1.9
168.13832	1.9
170.12888	3.5
173.12898	3.4
177.09819	6.7
182.15456	1.1
184.13258	1.2
186.14949	1.7
189.12247	0.8
202.14320	1.5
206.16524	1.9
210.14899	2.1
221.11752	1.0
231.04932	4.6
233.08025	1.1
234.15977	9.0
234.99092	1.4
252.17046	4.1
252.19379	1.0
254.18698	1.8
268.15408	1.6
270.15231	1.7
270.18112	23.6
272.19907	1.1
286.16595	1.4
287.05518	4.0
288.19202	12.4
303.19141	2.0
307.69504	0.8
317.06149	1.2
326.06586	3.9
327.23862	3.1
329.20862	1.1
344.21732	2.0
354.20441	2.9
361.02362	6.9
371.22882	67.2
372.23367	1.6
379.03409	3.8
389.23938	100.0
390.24155	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2168
Annotation	Debiloside B
Peak:m/z	Relative Intensity
65.08088	13.1
67.05492	30.1
68.99788	15.9
69.03426	16.3
69.07078	18.5
69.91177	86.3
70.06580	23.0
70.91096	12.9
79.05510	16.6
81.03445	16.2
81.04551	17.6
81.07069	30.2
83.04986	16.0
85.02895	46.1
86.09708	53.5
91.05510	52.5
93.07043	44.5
95.04964	23.5
95.06078	28.4
95.08610	37.6
97.06540	13.8
99.08089	22.9
103.05503	13.8
105.07031	24.1
107.08584	48.3
109.06506	24.9
109.10187	30.3
111.05574	77.1
118.09322	12.6
119.04921	21.6
121.06483	29.9
121.10145	60.8
123.04434	65.9
123.05573	54.0
123.08093	29.0
131.08578	23.9
133.10146	38.5
135.08046	18.4
137.02316	21.1
137.06013	36.6
141.06593	76.7
147.04376	73.0
147.11691	15.3
148.04797	15.2
149.09590	66.2
151.11172	32.5
152.39514	15.6
153.01892	24.5
163.14833	24.5
165.05513	18.4
173.13251	23.6
175.77141	13.9
177.05495	46.0
177.09142	24.7
178.05794	36.7
178.09535	25.3
181.05032	22.6
191.14343	51.5
196.06815	13.4
205.05023	26.5
206.05450	16.7
209.15329	100.0
210.98143	17.0
214.83467	13.1
218.11110	14.4
227.08234	45.4
236.09155	35.7
236.12987	15.5
237.09540	44.5
237.13057	29.2
299.80359	14.0
353.20630	50.3
371.12851	21.6
371.21509	90.1
389.13779	50.0
389.17935	57.6
389.22916	33.3
390.02698	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	389.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
60.91481	0.8
64.58328	0.8
67.05511	1.1
69.60485	3.7
69.60925	3.5
79.05514	1.0
127.07291	0.9
189.50525	0.9
220.81221	1.0
261.62936	1.0
276.23279	2.2
328.32144	1.2
377.44028	1.0
389.22971	100.0
390.23355	6.1
390.30020	2.5
390.35889	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	389.1781
Annotation	Asn Gln Gln
Peak:m/z	Relative Intensity
55.05517	0.5
58.75332	0.3
60.04537	0.6
67.05512	0.4
70.06599	1.1
70.28436	0.4
70.93155	1.2
72.08165	2.8
78.64429	0.4
81.03423	0.4
84.04503	2.3
84.08161	1.0
85.02945	0.4
86.09708	5.3
87.21149	0.4
101.07169	0.6
102.05499	0.7
107.04983	0.7
109.84363	0.3
110.07172	0.4
112.04004	0.9
121.02872	0.4
128.76555	0.3
129.06590	1.4
129.10228	0.6
139.03923	0.9
141.05469	2.9
153.01833	0.6
155.31155	0.4
167.07025	0.4
197.12885	0.6
203.47041	0.4
227.12582	6.1
240.09802	0.6
245.12442	0.5
289.52686	0.4
340.81262	0.4
345.15189	0.9
389.17834	100.0
390.18256	2.4
403.04691	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1591
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
50.41850	1.4
51.39489	1.5
53.03949	2.9
55.01871	36.1
62.96806	1.4
64.85983	1.4
65.03928	8.9
67.05499	3.0
69.03419	1.8
69.26514	17.5
72.20681	1.5
75.26733	1.4
79.05485	4.8
82.04185	3.9
85.02917	8.0
91.05487	4.1
93.03435	2.3
93.07066	1.7
94.04195	1.9
95.04957	5.3
97.02914	2.4
97.06537	3.0
98.20721	3.6
103.05453	14.8
105.07076	2.2
107.04946	7.0
108.02100	1.8
110.03644	3.0
111.04445	2.7
117.06969	1.7
121.06525	4.3
122.03625	4.2
123.04409	5.6
124.05187	2.1
125.05984	4.8
128.06239	3.2
129.07019	9.2
131.04919	20.4
137.05974	29.7
137.06927	2.7
138.03110	2.7
142.02621	4.0
145.06476	3.9
147.04404	2.6
149.06006	12.6
151.03896	4.0
153.05447	2.7
157.06519	8.0
160.05249	2.9
161.05910	2.5
163.03917	2.8
163.07516	8.6
167.07027	21.7
171.06552	9.4
173.06030	1.6
174.06760	4.9
175.07556	14.4
177.05469	36.0
177.06888	2.8
177.09032	1.7
178.05887	2.5
181.04955	100.0
182.05374	1.9
183.06526	2.8
187.07573	1.8
189.09090	8.5
191.06999	3.0
204.61925	1.8
205.08600	2.9
206.07378	1.5
209.08089	60.6
217.08618	7.7
219.10155	2.7
221.11778	1.4
235.09743	2.9
249.09032	4.4
261.09241	1.5
263.06845	1.5
277.08627	5.5
278.09256	2.0
279.10175	1.8
309.11212	2.7
317.56772	1.6
321.11078	3.3
339.12207	7.5
341.14041	2.7
353.13803	2.1
359.14828	2.7
371.14899	5.2
389.15955	32.6
390.16312	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1593
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
53.03938	2.0
55.01873	36.3
60.65703	0.7
60.87152	0.7
65.03944	10.3
67.05496	3.5
69.03420	1.5
70.14740	3.0
77.03922	0.9
78.04700	0.6
79.05500	3.8
82.00541	0.6
82.04192	3.6
85.02901	7.4
87.72923	0.6
89.03906	1.1
91.05466	2.1
93.03407	1.8
93.07032	1.3
94.04195	1.7
95.04973	6.6
97.06515	2.9
103.05468	16.6
105.07038	1.9
105.67308	0.6
107.04950	7.2
108.02072	2.3
109.06485	1.0
110.03658	5.7
111.04417	3.1
115.05441	1.9
117.07005	2.3
119.04930	1.1
121.06477	4.6
122.03644	3.9
123.04431	9.8
124.05212	1.6
125.05988	3.5
128.06226	2.0
129.07007	6.4
131.04936	18.1
133.06473	0.9
134.03654	1.3
135.07997	0.7
137.05980	30.5
138.03123	3.4
138.06322	0.8
139.03912	3.3
140.04695	1.7
142.02609	2.9
145.06505	4.1
147.04410	2.6
147.08061	0.7
148.05183	0.9
149.05983	12.0
149.39809	0.7
151.03900	6.1
151.07576	0.8
153.05530	3.2
155.07066	1.4
156.58592	0.7
157.06459	7.7
159.04402	2.6
160.05202	3.9
161.05951	2.5
162.06740	1.3
163.03909	1.9
163.07568	8.3
165.05487	1.7
167.07043	21.7
171.06520	9.0
173.05983	1.4
174.06747	2.7
175.07558	14.3
177.05472	39.4
177.09074	2.5
179.07088	1.3
181.04956	100.0
181.08411	2.0
182.05286	1.9
183.06506	2.3
185.05927	1.3
187.07567	2.2
188.08339	1.0
189.07294	1.1
189.09076	8.5
191.07050	2.7
193.08638	2.1
199.07593	1.0
205.06802	0.7
205.08621	3.1
206.07291	0.9
207.06567	0.9
209.08090	52.0
210.08455	1.1
217.06528	1.1
217.08499	7.1
218.07310	1.4
219.08107	1.7
219.10109	1.9
221.08034	1.2
221.11612	1.1
231.08066	1.3
233.09691	1.4
234.06816	2.7
235.07489	1.2
235.09698	2.7
237.11140	0.7
247.07495	1.4
249.09099	2.9
251.10670	1.3
261.09189	2.3
265.08505	1.0
275.10641	0.8
277.08618	5.7
278.09372	1.2
279.10165	1.1
281.11908	0.8
291.10086	0.8
293.11774	1.9
307.09589	0.8
309.11105	3.3
311.09039	0.7
311.12790	0.8
321.11212	1.8
324.74490	0.6
329.10074	0.7
339.12177	5.0
341.13873	2.7
345.13571	1.0
353.13861	1.1
359.14798	3.1
371.14923	7.6
389.10913	1.6
389.15958	33.2
390.16400	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1593
Annotation	Renealtin A
Peak:m/z	Relative Intensity
53.03933	2.2
55.01872	11.5
55.05500	3.8
55.28602	1.1
57.03430	2.5
58.15741	1.3
65.03944	4.1
67.05497	5.1
67.97102	1.1
68.99794	1.3
69.03435	2.5
69.07057	3.8
70.23482	6.1
71.04984	1.2
71.08620	2.5
79.05482	4.1
81.03412	3.5
81.07036	4.3
83.08638	1.6
85.02890	5.6
91.05479	7.7
93.06985	2.7
95.04960	5.8
95.08591	5.3
97.06524	3.9
100.11246	1.4
103.05476	4.9
105.03397	2.7
105.07022	3.2
107.04951	3.7
107.08582	1.6
109.02862	3.6
109.06435	1.6
111.04449	2.6
115.05441	2.8
119.04948	8.7
121.02921	1.6
121.06490	1.5
121.10113	2.7
123.04427	100.0
123.11717	2.2
124.04801	1.3
125.05982	1.6
127.03897	2.7
127.85612	1.1
128.06223	1.2
129.07004	1.6
131.04909	6.8
131.08485	1.9
133.06445	2.6
133.10172	1.7
135.04433	3.8
135.11644	1.6
137.02330	1.7
137.05978	12.0
137.13206	1.3
139.02824	1.9
139.03888	34.8
141.04424	1.5
143.04892	2.3
145.06451	2.0
147.04408	32.0
149.05965	4.7
151.03903	41.9
152.04231	1.3
153.05524	3.3
157.06499	3.0
161.05981	10.4
162.06784	1.3
163.03911	4.2
163.07568	4.1
165.05499	22.1
167.06998	7.7
169.04984	4.9
171.06537	2.5
173.05975	15.8
174.06642	2.4
175.03922	1.8
175.07550	3.7
176.04703	2.3
177.04039	2.1
177.05473	25.1
179.07048	4.6
181.04964	25.8
181.08559	2.7
182.15401	1.5
187.07475	1.5
189.05463	3.1
189.09087	3.1
191.07034	5.9
192.14685	1.7
193.08604	47.9
193.10309	2.8
203.10692	1.2
205.08609	4.7
207.06552	13.3
207.10110	1.8
209.08060	15.4
217.08443	1.9
219.10143	19.3
220.10619	1.4
223.09621	2.2
227.16426	1.8
237.11201	5.0
249.07468	1.3
277.08554	1.7
285.07559	2.6
291.08624	5.7
303.08682	6.5
311.09229	2.3
315.08585	2.2
327.12161	5.3
329.10110	13.1
339.12308	2.2
345.13315	27.7
346.13998	1.4
348.86932	1.6
353.13849	5.0
371.14969	17.6
389.16043	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	389.1594
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
53.03948	2.0
55.01621	2.8
55.01870	38.0
59.84168	1.6
65.03944	11.5
67.05502	4.3
69.03426	2.7
69.07047	2.2
69.99209	8.3
75.59453	1.5
79.05479	4.6
82.04206	4.2
85.02899	10.8
91.05476	8.1
93.03423	2.3
94.04169	2.3
95.04960	9.4
95.08634	2.3
97.02911	2.9
97.06478	2.0
99.04479	1.9
103.05473	15.8
105.07071	2.2
107.04953	9.4
108.02122	2.5
109.06505	2.6
110.03638	3.4
111.04483	3.0
115.05492	1.8
117.07009	3.4
121.06508	5.8
122.03632	3.2
123.04456	5.8
123.11732	2.8
124.05227	1.9
125.05971	4.4
128.06204	2.3
129.06998	9.9
131.04924	20.4
133.06496	2.4
137.05971	40.1
138.03087	3.2
140.04694	2.6
144.04114	1.7
145.05013	2.7
145.06520	4.4
147.04359	3.4
149.06001	10.2
151.07579	2.1
153.05504	3.0
155.07039	1.9
157.06544	9.0
159.04335	2.0
160.05208	2.6
161.05992	3.4
163.03951	2.2
163.07573	10.5
165.05556	1.7
165.12759	2.1
167.07060	26.0
171.06496	8.9
174.06773	5.5
175.07497	19.0
177.05464	50.0
181.04953	100.0
183.06577	5.2
187.07564	2.2
189.09067	9.8
191.07004	2.8
199.07571	2.3
203.08510	1.7
205.08598	4.1
209.08101	59.0
210.08345	1.9
217.06824	2.0
217.08571	8.9
219.10194	4.8
221.08044	2.1
227.08167	18.7
233.71991	1.6
234.06706	2.1
235.07425	2.4
235.09543	3.4
245.06149	1.6
247.07362	2.3
248.08334	1.9
249.09085	4.3
261.08966	3.9
277.08667	7.8
278.09305	2.0
293.11810	2.7
295.09390	2.0
307.09503	1.7
308.10263	1.8
309.11133	3.5
321.11267	3.2
333.53183	1.7
339.12372	9.8
341.13727	3.8
359.15021	2.6
371.15005	11.4
389.16098	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05487	0.4
69.65206	1.6
70.06596	0.2
71.70110	0.2
78.01498	0.2
81.07018	0.3
84.08128	0.2
85.02894	0.4
91.05477	0.3
93.46190	0.2
95.04945	0.3
97.02788	0.2
99.04444	0.4
109.10167	0.3
119.04929	0.2
122.03652	0.2
137.05963	0.9
138.06293	0.5
147.04411	1.0
157.07570	0.4
159.09328	0.2
183.05482	0.3
185.07112	9.3
201.06604	1.5
209.07101	11.4
210.07341	0.3
218.65054	0.2
224.04564	0.2
227.08141	100.0
228.08517	1.7
293.09201	0.2
389.13400	14.1
390.13574	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	389.1593
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
50.14736	1.4
52.92798	1.3
55.01621	2.7
55.01871	36.4
55.26395	1.4
65.03943	9.1
67.05500	5.3
69.03438	2.2
69.07075	1.8
69.49490	8.2
69.49905	5.1
71.51840	1.4
79.05479	2.9
81.07043	3.7
82.04189	4.6
85.02909	7.9
89.03835	1.7
91.05488	4.5
93.03392	2.6
93.07030	2.6
95.04975	6.1
97.02840	1.7
97.06535	4.6
98.20840	2.1
99.04403	1.6
103.05476	19.8
104.28369	1.4
105.04520	1.6
105.07018	3.3
107.04955	8.5
107.08560	2.1
109.06567	1.7
110.03655	5.3
111.04430	2.0
115.05430	2.9
117.06999	3.2
121.06506	4.6
121.10142	2.0
122.03625	4.4
123.04444	5.7
124.05194	2.3
125.06002	2.7
129.07048	7.7
131.04932	19.4
133.10114	1.8
137.05978	34.7
138.03136	2.3
138.06316	2.5
142.02594	2.9
144.05652	1.7
145.06493	4.7
147.04393	2.0
149.05969	12.7
151.03954	1.9
153.05447	3.6
157.06505	8.4
159.04298	1.8
160.05202	3.6
161.06006	2.4
162.45699	1.6
163.07552	7.0
167.07047	26.3
171.06506	10.6
174.06718	3.7
175.07547	18.1
177.03900	2.0
177.05466	37.3
177.09174	2.4
181.04951	100.0
182.05339	3.5
183.06520	2.4
187.07449	1.9
189.09097	10.8
191.06979	1.9
195.10277	1.8
201.09184	1.7
205.08600	4.1
209.08086	57.6
210.08517	2.6
217.08643	6.8
219.08119	3.1
219.10205	4.1
249.09045	3.3
261.09137	3.3
277.08548	8.3
278.09479	1.9
293.11752	2.4
309.11237	3.8
321.11276	2.4
339.12149	4.0
341.13846	2.6
359.14746	2.9
371.14786	9.9
389.15915	35.2
390.99951	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35520	2.7
53.03946	4.0
55.01868	42.0
55.05530	2.9
56.12234	2.6
59.53096	2.5
65.03937	12.9
67.05492	5.7
69.50564	15.5
69.50995	12.0
71.04988	3.8
76.72943	3.2
79.05489	10.1
81.07031	4.9
82.04186	5.7
82.39610	2.9
85.02911	9.2
88.43145	3.5
91.05483	6.3
93.07024	3.9
95.04990	8.6
95.08610	4.2
97.06533	10.7
103.05478	17.4
105.07054	5.4
107.04972	12.1
107.08599	6.7
110.03655	5.0
111.04431	4.3
115.05437	5.2
117.07017	3.5
119.08575	4.4
121.06475	5.3
121.10150	6.7
122.03621	7.3
123.04453	28.4
123.90592	3.3
125.05951	4.0
129.07031	6.7
131.04906	17.9
133.10126	28.1
135.08083	5.0
137.05968	68.6
138.06332	19.4
139.03940	10.5
145.06522	7.7
147.04401	6.1
147.11691	5.4
149.05992	10.2
149.13263	8.9
151.03912	11.4
157.06471	7.6
161.05966	5.2
163.07578	7.5
165.05453	3.7
167.07043	24.9
168.07355	4.8
171.06477	10.9
173.05992	3.9
173.13319	5.7
174.06769	3.7
175.07561	14.1
177.05504	36.2
181.04953	100.0
183.06512	6.1
186.90518	2.9
189.09148	8.3
191.07059	5.2
191.14282	27.7
193.08641	9.8
209.08107	50.8
217.08578	7.1
219.10254	4.8
225.02927	3.7
235.09723	4.1
261.08969	3.6
265.08331	3.4
277.08707	5.9
285.43646	2.8
329.10355	4.0
339.12375	8.0
341.13986	5.1
345.13141	3.4
358.13596	3.8
359.14914	3.3
371.15021	9.1
388.14697	12.6
389.16010	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	388.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	10.1
55.01859	7.1
57.03432	9.7
60.42841	5.3
60.64051	5.0
66.40353	4.5
68.99787	7.3
69.03427	32.0
70.64847	17.6
81.03412	19.7
85.02908	100.0
87.00828	39.1
97.02885	28.0
99.04453	14.2
103.03943	5.6
105.01863	56.5
105.07030	22.4
109.02902	26.3
117.47380	5.0
123.04477	6.1
126.02261	5.1
127.03919	65.1
137.05977	6.6
138.06355	6.0
139.03906	20.1
145.04922	34.6
151.03897	19.2
159.02960	6.9
159.87378	5.0
163.03897	5.4
167.06993	5.6
173.27228	5.8
181.04919	6.4
221.11742	5.9
231.04996	17.6
241.76303	5.5
260.01761	5.9
312.67795	4.9
323.73373	6.3
324.04208	5.9
388.17249	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	388.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76622	1.1
53.03943	6.0
54.27803	1.4
55.01625	1.0
55.01856	6.6
57.03441	6.5
61.02922	4.7
68.99779	2.1
69.03429	33.7
69.59638	9.2
71.01321	1.4
71.04974	4.1
73.02921	6.7
77.72622	1.2
79.73737	1.1
81.03414	23.2
85.02902	100.0
87.00829	39.9
89.03882	1.1
91.03983	2.2
93.07049	1.1
95.04963	1.8
97.02885	28.6
99.04446	15.6
103.05418	1.3
105.01860	59.3
105.07036	13.3
106.07366	1.4
108.04479	3.4
109.02876	29.5
110.03248	1.4
112.86752	1.1
115.03888	1.3
117.01865	3.5
119.08578	1.4
121.10190	1.4
123.08114	2.2
124.08508	1.7
126.05526	1.8
127.03909	67.1
128.04257	1.8
129.01828	2.6
137.05945	4.7
138.06311	2.5
145.04953	35.1
146.05229	1.4
147.02887	2.8
147.11690	3.4
148.12042	3.1
151.07512	3.3
152.07948	2.8
155.87177	1.4
159.02898	17.3
163.11122	1.6
165.12781	1.6
166.13104	2.4
167.07040	2.1
177.03943	1.6
181.12247	1.4
181.45236	1.1
189.03915	3.8
207.13849	1.8
208.14180	7.8
213.03917	2.1
213.09077	2.0
227.92039	1.3
231.05017	22.2
248.07645	2.5
249.06139	6.6
255.46080	1.0
298.25882	1.2
388.15005	2.5
388.20160	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	388.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70373	4.3
53.03931	7.8
55.01863	8.8
57.03424	8.2
69.03431	32.4
69.51620	37.2
69.79340	4.2
70.06565	4.9
71.04996	4.8
73.02891	6.5
79.05483	9.6
81.03416	17.7
81.07084	5.6
85.02910	100.0
85.03424	6.3
85.82526	3.8
87.00824	30.1
95.04967	6.2
97.02893	36.5
99.04446	12.3
105.01884	56.9
105.07055	25.9
109.02867	20.5
118.03704	4.6
127.03913	56.9
135.04350	7.2
137.05977	11.5
138.06361	11.3
139.03908	25.8
145.04953	32.1
149.05928	4.9
151.03920	33.8
151.07535	5.6
153.05470	6.0
159.02882	14.1
163.03923	8.2
167.07028	9.0
172.17221	5.6
181.04916	12.5
181.48718	4.8
221.11798	18.1
231.04977	20.3
249.05978	4.6
319.08047	13.4
357.63785	4.7
387.17783	5.3
388.17609	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	387.2529
Annotation	12alpha-Hydroxy-3-oxochola-4,6-dienoate
Peak:m/z	Relative Intensity
50.69543	2.1
53.03928	4.8
55.01863	6.9
55.05509	13.9
57.03449	2.4
61.44401	2.0
63.15189	2.3
66.88445	2.1
67.05508	26.8
69.03430	13.1
69.07066	15.3
71.04969	3.4
71.59193	3.7
79.05486	20.6
81.03408	14.6
81.07059	26.7
83.04981	4.6
83.08619	8.0
85.02911	2.3
85.53442	2.3
91.05479	31.6
93.07049	28.2
95.04945	10.9
95.08604	23.3
97.02902	16.7
97.10151	3.7
105.07030	27.5
107.04932	6.7
107.08596	11.8
109.02866	4.4
109.06511	4.4
109.10165	9.6
111.04434	10.4
115.05445	4.1
117.07030	15.4
119.08575	24.6
119.92524	2.5
121.06554	7.2
121.10162	6.4
123.04401	6.8
123.08023	3.2
123.11721	3.0
127.03880	2.6
128.06194	6.9
129.07010	15.7
131.08559	23.0
133.06485	10.4
133.10143	13.6
135.04419	2.2
135.08069	4.4
135.11687	8.1
137.05931	2.8
137.09718	2.5
141.06978	7.2
142.07788	4.0
143.08551	17.6
145.06503	7.2
145.10132	18.7
147.08032	7.5
147.11639	10.6
149.06000	2.4
149.09613	2.5
149.13277	5.2
151.07603	2.6
155.08517	10.8
157.06471	5.6
157.10112	12.9
159.08080	6.8
159.11713	12.3
161.05968	3.4
161.09570	5.9
161.13290	5.4
163.11275	2.7
165.07056	3.2
166.07979	2.3
167.08607	3.7
169.10164	8.1
171.08112	7.6
171.11711	10.2
173.09608	3.6
173.13272	6.7
175.07561	4.8
175.11137	3.4
181.10127	5.4
183.08136	3.1
183.11713	9.9
185.09660	6.1
185.13318	5.5
187.11214	5.8
189.09099	3.8
189.12756	3.2
193.10031	2.4
195.11700	6.3
197.09691	4.0
197.13271	5.6
199.11159	4.1
199.14809	5.2
201.09178	3.3
201.12773	4.6
201.16411	2.4
203.14259	2.3
211.11304	3.4
211.14700	4.0
213.12752	4.6
215.14462	2.4
227.14394	4.6
243.13695	2.2
277.21722	7.5
289.21790	3.5
291.23044	2.6
299.19955	2.6
301.21588	2.4
313.21497	3.0
315.23279	5.2
323.23837	5.0
327.23187	8.5
333.22049	3.1
341.21255	2.6
341.24835	23.4
351.23148	13.3
359.25858	2.9
369.24228	64.0
369.28488	4.4
370.24545	4.3
387.25302	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2011
Annotation	Sonchuionoside A
Peak:m/z	Relative Intensity
53.03951	6.3
53.26960	2.3
55.01870	5.0
55.05504	21.8
57.03429	6.9
57.07069	2.8
59.05012	2.7
61.02919	5.7
67.05498	9.9
68.31635	2.7
68.99787	2.6
69.03432	33.1
69.07082	2.9
69.86062	14.8
71.04994	6.5
73.02909	4.1
79.05497	11.3
81.03411	15.3
81.07047	14.4
83.04995	6.6
83.08617	26.4
85.02898	44.1
87.04459	3.3
90.06384	2.4
91.05484	13.2
93.07044	9.5
95.04964	100.0
95.08607	11.4
97.02887	23.8
97.06538	8.7
98.68964	2.8
99.04452	14.5
103.03962	3.3
105.07023	18.6
107.04956	7.5
107.08595	34.5
109.02878	8.2
109.06538	14.4
109.07160	2.6
109.10149	5.1
109.86348	2.5
111.04448	9.6
111.08078	6.7
113.09631	3.5
115.05466	2.6
117.06997	5.6
119.04927	3.3
119.08591	11.6
121.06516	6.1
121.10114	14.2
122.03644	4.3
123.04436	11.4
123.08060	47.8
125.05979	5.7
125.09608	13.5
127.03918	9.0
129.07007	2.8
131.08545	7.1
133.06471	5.7
133.10152	7.0
135.04301	2.3
135.08051	6.3
135.11656	6.4
137.05972	36.5
137.09613	7.3
139.03914	15.5
143.08553	2.9
145.04980	10.8
145.06482	3.3
145.10130	7.2
147.04440	7.0
147.08044	4.8
147.11681	8.9
149.05989	5.1
149.09604	13.7
151.03909	10.5
151.07559	24.6
151.11090	2.8
153.05452	4.2
153.09100	6.8
155.10695	6.7
157.10078	3.2
159.11668	4.4
161.05957	6.6
161.09653	4.3
161.13263	2.6
163.03850	14.0
163.07559	6.7
163.11197	16.7
165.05490	3.5
165.09149	8.0
165.12773	6.4
167.07080	14.3
167.10686	8.2
173.06012	3.7
173.09612	4.1
175.07574	3.4
175.11224	2.5
175.81776	2.4
176.08258	2.6
177.05354	2.9
177.09074	3.4
179.07018	3.5
179.10703	4.2
181.05003	5.5
181.12215	13.5
187.11081	3.2
189.09163	7.2
189.12764	12.1
191.10675	13.2
191.14400	3.0
193.08565	3.9
195.41736	2.8
203.07133	2.6
205.08415	2.4
207.13803	52.6
209.11757	4.5
209.15222	3.2
213.12688	4.0
219.10197	4.4
219.13737	4.3
223.13336	8.6
225.08093	3.5
225.14819	16.1
231.13754	4.2
231.41743	2.5
233.11754	3.3
237.14969	2.5
245.11873	2.7
249.14842	64.3
251.12762	3.5
255.06734	2.6
257.11862	2.7
261.14847	9.1
267.15891	6.0
273.15018	3.6
279.15884	4.8
281.26825	2.7
291.15833	13.6
293.13818	3.2
315.15598	3.0
333.16986	5.4
351.18057	18.6
357.13062	3.4
369.19141	5.7
387.14301	8.6
387.20020	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	387.201
Annotation	(6R,9R)-Roseoside
Peak:m/z	Relative Intensity
50.67028	2.0
53.03944	4.5
55.01860	2.7
55.05496	2.3
57.03438	10.8
57.07068	2.0
59.66999	2.3
61.02915	9.2
65.03930	2.9
67.05496	6.1
69.03423	24.1
69.07049	3.5
70.06587	2.1
70.88081	4.6
71.04987	4.1
73.02905	5.2
75.93143	2.2
79.05480	5.1
80.56345	1.9
81.03409	7.7
81.07053	10.2
83.04958	6.7
85.02431	3.8
85.02907	53.5
85.06526	2.3
87.04461	2.7
91.03959	4.3
91.05495	10.0
93.07035	8.4
94.04208	2.2
95.04965	6.6
95.08617	9.8
97.02896	17.3
97.06528	2.1
99.04430	7.8
103.05537	2.6
105.07028	11.8
107.04971	3.1
107.08579	7.9
108.05759	2.7
109.02872	6.3
109.06532	4.8
109.10181	3.7
115.05473	4.8
117.06947	4.4
119.08569	8.4
121.06515	14.1
121.10143	8.1
122.03623	7.9
123.04455	7.3
123.08067	43.1
125.05994	5.3
125.09647	2.0
127.03912	11.9
131.04900	2.9
131.08569	4.0
133.06517	3.5
133.10162	9.8
135.08069	9.9
135.11674	3.8
137.05971	100.0
138.06306	2.9
139.03868	5.5
141.72736	1.8
143.08539	2.9
145.04947	17.2
145.06503	3.3
145.10098	5.6
147.08080	2.7
147.11668	7.9
149.05989	2.4
149.09610	5.0
151.03883	5.5
151.07539	57.1
153.09071	3.1
161.05963	3.7
161.13266	2.7
163.03900	4.2
163.07491	3.6
163.11180	45.3
167.07036	22.7
171.06505	2.3
173.06038	3.9
175.07503	3.2
181.04974	16.0
181.08678	5.1
181.12228	18.9
189.09154	2.7
189.12781	15.5
191.14310	2.6
207.13799	98.0
209.15408	3.0
215.07080	2.1
224.27524	1.9
225.14813	6.8
233.08014	2.4
274.31305	2.1
340.60242	2.0
357.13312	12.2
373.41678	2.2
387.14441	18.9
387.19986	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	387.2012
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.30807	3.4
53.03944	7.4
55.01859	3.1
57.03431	5.9
67.05481	6.3
69.03433	28.3
69.07053	4.9
69.66476	16.3
69.66887	6.1
70.06195	5.0
70.06590	100.0
71.04955	4.1
71.06934	22.4
79.05481	5.9
81.03411	8.4
81.07046	11.1
85.02906	88.9
91.05487	6.6
93.07021	7.4
95.04955	5.3
95.08627	26.7
97.02885	10.5
98.20789	3.3
99.04459	4.3
105.07024	15.2
107.08616	3.9
109.06558	4.9
109.10142	14.4
119.08579	20.0
121.10159	9.5
123.04415	12.5
123.08063	9.7
123.11707	39.6
124.04757	5.5
125.05992	39.7
127.03934	8.0
133.06502	6.2
133.10115	13.1
135.08057	4.1
135.11705	25.7
135.25522	3.2
137.05988	5.5
137.09624	7.5
137.13240	4.2
139.03877	4.6
139.07500	6.2
145.04921	5.2
145.10173	4.3
147.04413	7.1
147.11716	20.4
148.04738	7.0
149.05949	3.9
149.09628	19.0
151.07559	11.8
156.09355	4.0
161.05981	4.0
161.13272	39.1
163.03944	3.9
163.11159	5.5
165.05466	3.2
166.05768	4.0
167.07048	5.4
171.11693	5.1
177.05457	23.8
178.05823	13.6
189.12762	32.5
202.61493	3.2
207.13789	62.0
225.14838	52.4
309.67075	3.2
330.10565	17.1
346.90436	3.3
351.18121	8.2
387.15985	30.4
387.20163	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	387.2011
Annotation	Glochidionionoside C
Peak:m/z	Relative Intensity
52.90605	6.7
57.07081	8.8
67.05501	21.9
69.03434	36.2
70.06604	39.8
70.23679	18.6
70.24076	16.7
81.03401	9.4
81.07062	20.6
85.02905	92.1
85.06538	9.9
91.05476	10.1
93.07036	10.5
95.08624	46.7
97.02888	16.5
98.21465	10.0
99.04466	8.3
101.84364	8.8
105.07017	10.8
107.08577	7.9
109.10129	29.4
119.08542	18.1
121.10130	11.5
123.08085	16.2
123.11700	92.4
125.05920	15.4
127.03922	19.5
135.11673	10.0
140.40120	7.5
145.10049	11.0
147.11676	19.7
149.09662	9.3
151.07475	8.4
177.05472	17.1
178.05843	12.0
189.12755	21.4
207.13808	100.0
225.14911	35.4
261.05774	8.6
317.18488	9.3
333.16980	18.0
351.17944	36.9
360.79486	8.2
387.16214	77.9
387.20361	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	387.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98045	0.9
67.05495	0.9
69.03438	1.3
69.47810	8.1
70.06598	1.3
81.07046	1.0
85.02888	2.0
86.09709	1.3
93.07070	1.2
95.04967	0.9
97.02894	1.0
105.07028	1.5
117.09583	0.9
119.08565	1.2
120.47733	0.9
123.04435	1.6
123.08087	1.0
131.32594	1.0
137.05992	1.1
140.94392	0.8
149.05919	0.8
153.59880	0.9
163.11153	1.5
167.07043	16.7
179.06993	0.9
181.08646	0.9
207.13853	2.5
225.14943	1.0
229.22119	1.1
329.43875	0.9
334.88135	0.9
363.79538	1.0
386.34088	0.8
387.16278	100.0
388.16736	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	387.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.4
53.03939	0.7
53.68421	0.2
57.69575	0.3
58.52857	0.2
71.58841	0.2
79.05494	4.8
81.03419	0.5
91.05481	0.3
93.07027	0.5
95.04959	1.7
97.02881	0.3
103.05468	2.5
105.07030	100.0
106.07362	1.8
119.04945	1.6
121.06480	0.3
121.85365	0.2
128.88615	0.2
133.06509	0.4
137.05942	0.5
151.57373	0.3
265.56354	0.3
387.31885	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1438
Annotation	Magnolone
Peak:m/z	Relative Intensity
57.96875	0.4
63.22849	0.4
65.03926	1.4
67.05496	0.9
68.22671	0.4
69.03425	0.9
69.07050	0.5
79.05488	1.4
81.03430	0.9
81.07045	0.9
82.28573	0.4
85.02865	0.8
91.05464	1.7
94.04174	2.8
95.04966	1.1
97.06535	2.2
99.04493	0.4
103.05462	2.1
105.07032	0.7
107.04951	1.8
107.08623	0.5
109.10221	0.5
110.03651	0.5
111.04449	0.8
111.34572	0.4
115.05444	2.7
117.07011	2.4
119.04936	0.8
119.08575	0.6
122.03645	7.8
123.04436	2.8
125.05997	0.5
126.18652	0.4
131.04945	2.4
133.06488	0.5
135.04489	0.7
137.05980	100.0
138.06329	1.0
139.03917	6.1
142.02542	0.4
143.04942	3.0
145.06499	2.7
147.04465	0.6
148.05170	1.5
149.06023	0.8
151.03896	6.3
151.04977	0.9
153.05479	1.0
155.06097	0.5
161.05978	1.2
163.03873	2.5
163.07535	2.4
165.05498	0.8
167.07051	11.3
171.06537	1.0
173.06010	2.5
173.09726	0.4
175.07549	1.2
177.05446	0.6
179.07056	0.6
181.04968	16.8
187.07607	0.7
191.07045	8.0
191.10652	0.4
193.08595	0.6
203.07033	1.4
205.08546	2.2
219.08220	0.7
219.10158	2.7
221.08057	0.5
233.08133	1.3
235.09706	1.9
255.06535	0.6
271.05991	0.5
297.11139	0.5
325.10791	0.8
327.12064	0.6
337.10468	0.6
343.11935	0.6
351.12244	0.6
355.11658	0.5
357.13327	12.1
357.17599	0.9
369.13312	0.7
387.14423	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98045	0.9
67.05495	0.9
69.03438	1.3
69.47810	8.1
70.06598	1.3
81.07046	1.0
85.02888	2.0
86.09709	1.3
93.07070	1.2
95.04967	0.9
97.02894	1.0
105.07028	1.5
117.09583	0.9
119.08565	1.2
120.47733	0.9
123.04435	1.6
123.08087	1.0
131.32594	1.0
137.05992	1.1
140.94392	0.8
149.05919	0.8
153.59880	0.9
163.11153	1.5
167.07043	16.7
179.06993	0.9
181.08646	0.9
207.13853	2.5
225.14943	1.0
229.22119	1.1
329.43875	0.9
334.88135	0.9
363.79538	1.0
386.34088	0.8
387.16278	100.0
388.16736	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	387.1437
Annotation	Magnolone
Peak:m/z	Relative Intensity
55.01874	1.5
65.03929	2.3
67.05508	2.2
69.07068	1.7
70.71784	2.3
79.05494	4.3
79.59715	0.7
81.07061	1.5
83.04977	1.2
85.02888	1.1
91.05478	2.2
94.04179	3.8
95.04966	1.7
95.08614	0.9
97.02891	0.7
97.05914	1.5
97.06535	25.4
103.05489	1.3
105.07066	0.8
107.04939	1.4
109.06506	0.8
110.03663	1.1
111.04424	2.9
115.05459	2.0
117.07014	3.1
122.03650	9.2
123.04424	12.0
125.05951	1.0
128.06189	0.6
131.04909	2.3
133.02945	0.7
135.04355	0.9
137.05977	100.0
138.06329	0.9
139.03899	51.8
141.94547	0.8
143.04913	3.9
145.06473	2.8
147.04466	1.1
149.05981	1.5
151.03894	6.3
153.05428	0.8
161.06012	2.8
163.03941	4.1
163.07539	1.5
164.44106	0.9
165.05504	0.9
167.07047	11.9
171.06538	1.1
173.05989	3.2
175.07567	2.4
181.04958	18.2
191.07043	5.5
201.09077	1.8
203.07048	2.9
205.08655	2.4
217.08583	2.5
219.10158	16.9
231.10214	0.9
232.13171	0.7
233.08107	1.5
235.09650	2.7
255.06644	0.7
265.08731	0.9
271.12146	1.8
337.10681	0.9
351.12296	1.0
357.13297	10.3
369.13290	1.9
387.14392	23.2
387.24939	0.8
388.14835	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1438
Annotation	Magnolone
Peak:m/z	Relative Intensity
50.99894	0.6
55.01845	2.5
55.05487	1.0
57.56524	0.7
65.03921	3.3
67.05491	3.0
68.99789	0.9
69.03429	1.1
69.07052	1.8
70.14972	3.1
73.10867	0.8
78.04695	1.0
79.05494	3.9
81.07047	1.9
82.04167	0.9
83.04961	1.4
85.02882	1.9
91.05463	3.7
94.04170	2.9
95.04954	2.9
95.08614	1.2
97.05914	1.6
97.06528	25.0
98.21477	1.0
103.05452	2.5
105.07047	1.5
107.04937	4.2
109.06493	1.2
110.03660	1.6
111.04412	3.6
115.05447	2.0
117.07011	1.1
119.08588	1.0
119.62317	0.9
121.02843	1.1
121.06459	1.0
122.03645	8.4
123.04435	12.7
125.05987	1.4
127.03915	0.8
128.06319	0.7
129.07043	1.0
131.04939	2.5
131.08546	1.4
131.43340	0.7
133.06490	1.1
135.04417	2.2
137.05975	100.0
138.06310	1.2
139.03899	54.3
140.04355	0.7
143.04903	2.9
145.06516	2.7
145.10146	0.8
147.04430	2.0
148.05223	1.7
149.05971	0.8
151.03932	5.9
153.01839	1.7
153.05460	2.7
161.05998	2.6
163.03923	7.2
163.07565	2.1
165.05574	1.4
165.06960	0.9
165.09177	0.8
167.03372	1.2
167.07027	14.9
171.06575	1.7
173.06013	4.3
175.07574	2.1
177.05513	1.7
179.07071	1.0
181.04958	36.6
187.07553	1.6
189.05518	1.4
190.06120	1.0
191.07086	4.9
192.11041	0.8
193.08635	1.1
195.06493	1.0
201.05444	1.7
201.09097	8.8
203.07056	2.0
205.08658	3.3
211.07552	1.7
215.07071	1.1
217.05014	1.3
217.08690	2.8
219.08176	1.3
219.10129	21.8
232.10869	0.8
233.08089	1.4
235.09644	2.0
239.54535	0.8
249.09103	1.0
264.07755	1.1
277.08768	1.3
279.10223	0.9
291.10330	1.0
307.09589	1.0
309.11438	1.6
319.09708	0.8
325.10638	2.0
327.12320	1.4
337.10953	1.2
343.11893	1.7
351.12265	2.1
357.13336	13.3
369.13440	2.9
387.14487	26.2
387.19171	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1437
Annotation	Magnolone
Peak:m/z	Relative Intensity
53.03919	0.5
55.01860	0.9
57.03417	0.6
65.03928	1.8
66.04720	0.6
67.05486	1.3
69.03407	0.8
70.73501	0.9
70.73870	1.1
77.03947	0.5
79.05492	3.0
79.41557	0.5
81.03418	0.6
81.07037	1.1
82.96994	0.5
85.02914	0.7
86.34050	0.5
91.05479	2.4
93.03375	0.9
93.07068	0.7
94.04177	3.1
95.04933	1.2
97.05904	0.9
97.06528	13.4
103.05468	2.5
105.07030	0.9
107.04945	1.7
109.06499	0.5
110.03681	0.6
110.14540	0.5
111.04417	1.2
115.05442	2.2
117.07022	1.6
119.08560	0.8
121.10080	0.5
122.03647	9.1
123.04433	5.2
125.05975	1.0
131.04916	2.3
131.08577	0.6
133.10159	0.6
137.05977	100.0
138.06290	1.5
139.03906	21.8
143.04933	3.4
144.05678	0.5
145.06450	2.7
146.45172	0.5
147.08018	0.6
148.05183	1.7
149.05954	0.7
151.03897	6.4
151.04970	0.8
151.07532	0.6
153.05490	1.0
155.06029	0.6
161.05991	1.6
163.03899	1.8
163.07573	1.6
167.07056	11.4
171.06578	1.5
173.05984	3.3
175.07561	1.7
177.05371	0.7
179.07140	0.6
181.04950	17.3
191.07036	5.8
203.07068	2.7
205.08609	1.5
217.08612	1.0
219.08136	0.7
219.10181	6.8
233.08051	1.2
235.09581	1.5
291.10175	0.6
325.10791	1.1
337.10562	0.6
351.12341	0.8
357.13339	11.2
358.13574	0.6
369.13440	0.9
387.14398	19.1
388.15170	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1262
Annotation	Axitinib
Peak:m/z	Relative Intensity
51.17830	0.9
54.92664	1.1
56.05033	1.1
56.96546	1.3
60.07351	0.9
60.66042	1.0
69.57433	8.1
70.06303	0.8
70.06591	8.5
72.08142	2.9
74.06057	1.2
84.04482	1.2
84.08137	2.4
85.02892	1.4
86.09706	8.2
116.07063	2.6
123.04416	2.3
125.98076	1.0
139.03876	3.0
139.07277	3.7
151.03886	1.2
153.01788	1.4
163.03928	1.6
167.07034	2.4
186.13788	1.0
203.05208	2.1
227.05191	2.0
283.11301	1.3
301.12582	8.7
317.12024	3.1
325.12314	2.1
343.13632	55.7
344.13809	1.4
369.11426	2.2
387.12405	100.0
387.16284	10.6
387.26810	3.2
388.12637	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	387.1284
Annotation	Axitinib
Peak:m/z	Relative Intensity
53.03949	0.3
55.01850	0.2
69.03405	0.3
70.92226	0.7
76.12700	0.2
78.04707	2.3
79.05490	1.5
81.07043	0.4
81.98637	0.2
85.02891	0.7
91.05466	1.1
93.07031	0.6
95.01340	1.7
95.04954	1.1
96.40130	0.2
97.02900	0.4
103.05456	0.5
105.07030	1.4
106.04164	0.9
107.04963	1.2
115.05488	0.4
121.06490	1.0
122.03693	0.3
123.04436	5.5
124.05222	2.3
133.06473	1.1
137.06007	0.4
141.01830	0.4
147.22998	0.2
149.06013	1.3
151.03876	1.3
151.07579	0.3
152.04695	1.8
161.06056	1.3
167.07039	100.0
168.07368	1.6
179.07040	0.8
181.08560	1.7
193.08598	3.8
207.13857	0.6
211.09700	2.3
225.11189	0.3
253.81871	0.3
325.16235	0.6
387.16299	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	387.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.3
55.92356	1.8
55.92654	1.9
57.03426	2.9
65.03939	3.1
69.03417	7.9
70.06567	4.2
70.88263	5.2
72.93793	3.7
74.02438	13.3
79.05441	2.2
81.03403	6.4
81.04536	21.5
81.07053	6.7
84.04447	2.0
85.02903	15.0
88.03979	4.9
90.94813	2.8
91.05480	2.7
97.02886	7.2
105.06937	2.8
108.04462	3.1
109.02904	3.0
110.06041	100.0
111.04441	2.9
116.03447	4.6
121.65615	1.9
127.03962	3.6
127.05019	9.2
132.95850	3.0
133.02837	2.1
134.06018	8.0
136.03902	1.9
137.06000	2.5
137.10742	6.6
150.05476	2.8
153.01794	7.1
158.97401	3.8
161.07108	5.3
162.02917	1.8
162.42726	1.9
163.03934	4.4
164.06918	2.0
167.03363	2.3
167.07065	23.0
176.98412	3.9
179.03419	2.7
179.08159	8.9
179.11803	24.3
200.78654	2.0
207.07698	15.1
209.08029	3.6
216.97920	3.6
224.94907	5.0
225.08824	40.6
225.12312	63.8
234.99013	6.7
242.95850	6.1
266.95886	3.0
267.09683	2.0
277.41913	2.1
279.37909	2.0
303.09839	2.9
368.98978	6.4
380.01175	2.3
387.00015	9.0
387.16852	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	386.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
54.26406	1.5
55.01866	4.7
55.05508	3.8
56.08881	1.5
56.96576	2.1
57.03439	8.4
57.27312	1.3
61.02916	6.9
61.78650	1.3
69.03426	21.0
70.06594	5.9
71.01308	1.7
71.04985	2.0
71.58033	1.7
73.02914	39.1
75.45430	1.4
78.04718	1.6
79.05486	3.3
81.03395	3.5
83.08619	5.1
84.08100	1.6
85.02905	54.7
87.04472	3.6
88.58237	1.4
91.03953	3.0
91.05495	4.1
93.07050	2.6
95.01346	2.2
95.05008	2.1
97.02896	33.4
99.04488	3.0
105.07011	3.0
106.04194	1.9
107.04969	2.2
107.08601	1.9
109.02881	7.8
109.06545	2.3
109.71944	1.7
112.07588	3.9
115.03939	14.6
119.08586	1.9
120.08126	2.1
121.06510	3.8
123.04432	7.3
123.08181	1.8
127.03914	20.8
133.04955	15.9
135.04428	1.6
137.05956	3.8
139.03862	2.6
140.07039	2.1
145.04958	26.4
149.05971	1.7
151.03897	3.0
151.07538	3.0
152.04811	1.6
153.01826	3.5
154.08636	1.8
161.05960	2.6
163.03914	2.4
163.06071	9.6
163.07341	2.4
164.03302	1.6
164.07074	2.0
167.07042	100.0
177.05408	2.3
181.08606	3.1
189.56700	1.7
193.08571	3.3
206.08118	3.5
206.15367	3.5
207.08499	1.9
211.09656	2.9
219.08153	2.4
223.05959	2.7
224.09270	4.2
224.12947	2.4
224.16415	3.5
239.45482	1.7
241.07138	3.1
253.13354	2.6
259.08176	3.3
299.13937	2.7
301.12558	2.3
326.11395	1.5
341.14890	3.2
343.13525	9.1
386.14532	3.3
387.11981	15.1
387.17075	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	386.1597
Annotation	Papaverrubine F
Peak:m/z	Relative Intensity
53.03928	0.3
54.03471	0.8
55.01865	0.5
57.72955	0.3
58.06599	0.4
67.05508	0.3
68.99790	1.1
70.06592	100.0
70.70876	1.0
71.06921	1.3
79.05503	0.7
81.03391	0.3
81.07063	0.7
85.02902	0.5
91.05475	1.4
93.07051	0.4
95.04974	0.7
103.05463	0.8
107.04967	1.2
119.04939	2.5
121.06517	2.1
123.04429	12.1
127.52357	0.4
131.04971	0.6
135.04414	1.7
137.05992	0.5
144.02914	0.3
145.95251	0.3
147.04413	6.2
148.04799	0.3
149.05975	4.4
159.04422	1.1
161.05980	0.7
165.05469	3.8
175.07568	0.5
177.05469	50.7
178.05800	1.5
185.65204	0.3
189.05510	0.5
193.14954	0.3
207.06499	1.3
232.74391	0.3
234.11237	4.6
253.12784	0.3
257.89841	0.3
280.30292	0.3
301.25101	0.3
311.09317	0.4
329.10199	11.2
330.10608	0.4
337.49966	0.3
386.15973	29.7
387.16248	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1593
Annotation	Papaverrubine F
Peak:m/z	Relative Intensity
53.03951	0.3
54.40528	0.3
55.01870	0.4
58.74133	0.4
62.43119	0.3
67.05495	0.4
68.99792	0.7
70.06591	100.0
70.64878	1.5
71.06931	0.4
79.05496	0.5
79.14114	0.3
81.03459	0.5
81.07068	0.5
85.02946	0.4
91.05479	1.5
92.28188	0.4
93.07051	0.5
95.04961	0.3
103.05456	1.3
107.04970	1.2
109.06487	0.4
119.04960	2.8
121.06507	1.2
122.03647	0.4
123.04424	16.6
131.04947	0.7
135.04427	1.1
137.06007	2.8
139.03989	0.4
147.04411	11.0
149.05969	3.6
150.77444	0.4
159.04390	0.4
161.05986	0.6
165.05475	5.9
168.89386	0.4
173.05995	0.5
177.05470	34.7
189.05501	0.7
207.06564	1.4
207.13847	0.5
234.11264	0.7
290.56995	0.4
311.08890	0.6
311.42902	0.4
329.10159	15.2
330.10458	0.5
386.15961	23.0
387.15652	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.1
55.01864	9.1
57.03419	9.5
58.06599	2.5
59.04990	2.1
61.02934	18.6
62.93661	2.0
69.03078	3.8
69.03429	51.7
70.06599	4.5
71.04991	2.7
71.08450	5.0
73.02905	9.3
75.04465	2.5
78.94737	2.0
79.05483	5.7
81.03415	15.0
85.02905	78.5
87.04462	10.7
91.03926	7.7
91.05482	13.9
93.07032	8.8
95.04985	4.3
97.02890	32.9
99.04452	6.1
103.05471	6.3
105.07023	22.3
107.04995	3.5
109.02879	10.1
115.05438	3.2
117.07058	3.0
118.04177	5.6
119.08540	2.6
120.05755	2.4
121.06496	20.2
122.03890	2.1
122.07340	3.2
123.04395	3.3
123.08152	2.4
127.03894	16.7
131.04895	3.3
133.06503	27.1
135.04367	2.5
135.08067	4.1
136.05107	2.1
136.91808	2.3
137.05933	16.1
138.06778	5.5
145.04930	9.4
145.06480	5.1
146.07268	10.0
147.08026	5.5
148.05177	7.5
149.05968	11.7
150.06805	10.5
151.07542	10.9
153.05408	6.0
153.09111	9.5
160.05170	3.4
161.04660	2.6
161.05968	36.6
162.06778	4.6
163.07545	10.3
164.08336	11.3
165.05457	6.1
165.09090	21.0
167.06995	3.6
168.07784	7.9
175.07550	9.3
176.06831	5.0
176.08322	78.9
177.05525	8.0
177.09108	100.0
178.09605	3.2
179.07024	5.4
179.10580	2.6
180.07793	10.1
181.08591	62.4
182.09222	2.9
191.06956	11.5
192.07784	7.0
193.08595	75.4
194.09383	2.4
195.10168	32.3
196.10945	53.0
207.10173	56.5
208.10931	63.0
209.08052	6.7
209.11577	3.9
214.82851	2.4
222.08885	4.8
223.09657	32.2
224.10417	26.9
224.16655	2.5
287.05450	6.0
308.23697	2.3
368.11386	3.3
386.19220	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	385.1467
Annotation	Asp Asn His
Peak:m/z	Relative Intensity
56.02025	0.7
65.98160	0.6
67.05484	0.7
68.30495	0.7
70.06592	1.9
70.90633	1.6
81.03454	0.8
84.75659	0.7
85.02897	0.9
95.04909	0.7
147.04417	0.6
166.08638	2.0
185.04178	0.7
197.10287	1.9
201.05475	1.4
205.08366	6.3
215.11356	0.9
221.10176	1.3
223.09409	4.6
239.11301	0.8
241.09198	1.0
280.80405	0.8
283.10309	1.8
309.18497	0.7
385.14682	100.0
386.15067	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01899	0.9
52.35551	0.9
55.01878	1.5
55.05508	4.2
57.07066	1.8
62.62086	1.1
67.05498	4.5
67.48632	1.0
69.03429	1.4
69.07055	2.7
69.95469	4.0
79.05480	4.6
81.03441	1.0
81.07057	20.2
83.08626	1.8
85.02924	2.3
91.05465	3.0
93.07051	10.3
95.04971	2.1
95.08606	7.7
97.06516	2.2
97.10166	2.0
105.07014	3.8
107.08601	12.1
109.10156	9.6
114.79073	1.1
119.08617	4.8
121.10134	5.4
123.11710	100.0
124.12060	2.1
131.08540	2.8
133.10138	4.2
135.11693	37.4
135.12721	2.3
139.03871	2.2
141.06934	1.3
145.10184	1.6
147.11676	2.8
149.05986	1.3
149.13271	2.5
151.03871	1.6
153.01849	1.7
159.11665	2.5
159.34204	1.0
161.09552	1.1
161.13309	1.6
163.03963	1.9
163.11244	1.2
165.12729	2.1
167.06931	1.5
173.13261	1.2
187.14853	1.3
201.05438	1.5
203.17998	4.1
205.19511	37.1
206.19908	1.3
217.19516	1.6
227.18063	2.1
229.19531	3.8
233.18993	2.7
235.20551	1.9
245.19109	2.1
247.20540	2.2
267.10480	1.0
280.07330	1.3
308.06812	1.0
323.08853	1.2
331.22626	5.0
385.12701	4.9
385.22504	1.5
399.33365	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.0
55.01871	19.1
55.05510	26.2
55.15948	2.8
56.46193	2.2
56.96543	2.5
57.03432	43.9
57.07063	3.4
59.04990	3.1
59.58239	2.4
65.03917	7.4
67.05500	100.0
69.03420	8.3
69.07072	13.8
70.06570	5.6
71.04988	41.2
71.58359	3.4
73.02920	3.4
79.05489	76.0
81.03394	8.5
81.06580	5.7
81.07050	84.5
83.04968	8.3
83.08595	7.5
84.08139	2.8
85.02893	7.2
85.06534	31.5
86.09728	3.4
87.04465	22.8
88.04796	3.9
89.06023	32.5
90.06342	8.6
91.05473	79.1
93.06489	3.1
93.07044	61.1
95.04973	29.8
95.08600	81.4
95.67318	2.6
97.02878	4.9
97.06528	20.7
97.10149	3.7
99.04459	2.7
99.08086	8.7
102.21847	2.7
103.03935	51.7
105.07026	69.3
107.04939	7.4
107.08580	39.5
109.06513	10.2
109.10141	38.1
110.90859	2.7
111.08086	20.2
113.05968	4.7
115.03924	3.5
117.06255	2.8
117.06991	18.6
117.70210	3.2
119.08570	55.5
119.09444	3.1
121.06501	6.5
121.10135	28.9
123.08060	51.7
123.11708	5.3
124.36127	2.7
124.37273	2.3
125.09633	10.0
128.06236	3.1
129.05446	3.7
129.07005	8.4
129.09108	8.0
130.09457	3.5
131.08565	29.0
133.08589	12.0
133.10127	28.3
133.76135	2.7
134.08913	10.4
135.08035	23.8
135.11664	9.3
137.06038	5.5
137.09610	40.5
139.11220	3.7
141.07031	2.7
143.08519	3.6
145.06386	2.9
145.10136	14.9
147.08057	12.3
147.11671	24.7
149.09608	7.1
149.13232	4.5
151.07532	11.4
151.11180	10.6
153.09091	19.0
155.08533	4.6
157.10104	6.5
159.11658	9.2
161.09561	7.9
161.13272	7.8
163.11215	5.1
165.09094	15.6
165.12709	10.3
167.07080	5.4
169.10124	4.1
171.11671	9.1
173.13243	17.7
174.03918	5.3
175.11194	6.6
177.11212	4.3
177.12709	3.3
179.03479	3.3
179.10661	8.5
181.05028	4.5
181.08591	2.9
183.11713	4.6
183.13832	6.0
185.13351	3.2
187.11226	4.4
188.89783	2.6
191.14302	5.9
197.13287	3.3
201.05415	5.3
206.01160	6.3
209.15268	3.3
219.90088	2.9
226.74991	2.8
239.17900	9.8
257.19028	10.4
275.20135	26.9
293.21115	24.9
349.23853	2.9
353.09735	3.0
367.24731	10.2
385.13098	5.4
385.25635	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	385.1282
Annotation	4'-Demethyldeoxypodophyllotoxin
Peak:m/z	Relative Intensity
55.01859	1.4
55.05482	0.6
65.03940	2.4
67.05517	0.5
69.03425	1.2
69.69720	2.6
69.70125	1.0
79.05486	1.4
81.07051	0.8
85.02900	0.7
88.45361	0.4
91.05488	1.2
93.07030	0.5
95.01307	0.5
95.04957	0.7
105.03404	0.6
105.07042	0.9
107.04951	0.6
110.03646	1.7
111.04442	2.3
114.09109	0.5
115.05453	1.3
119.04967	0.7
120.26830	0.4
121.02857	1.2
125.05994	1.8
128.06186	0.5
129.06990	0.5
131.04924	1.2
132.82475	0.4
135.04420	0.5
137.05977	0.7
138.46649	0.5
141.07045	0.5
144.05756	0.5
145.06499	1.1
149.02321	0.7
151.03912	1.1
152.06197	0.8
153.05493	2.9
153.06937	1.0
154.11435	0.4
155.04878	0.8
157.06458	0.8
161.05971	1.0
165.06981	3.9
166.07729	1.3
167.08548	1.2
168.45471	0.5
169.06442	0.7
173.05931	0.6
177.06895	0.6
178.07803	3.4
179.08562	2.1
180.05823	0.5
181.04990	0.9
181.06418	3.0
181.59332	0.5
182.07265	1.6
183.08139	0.8
185.05959	1.1
189.07016	2.2
190.07750	3.2
191.08546	3.3
193.04959	0.6
193.06512	1.9
194.07294	2.7
195.08099	4.0
196.08846	0.7
197.05853	1.0
197.09534	1.0
198.06738	0.5
199.07602	0.6
200.56378	0.6
202.07800	1.6
203.08582	1.9
205.06534	2.4
205.10101	0.5
206.07237	2.5
207.08064	5.1
208.05206	0.7
208.08821	1.7
209.06036	1.5
209.09665	1.5
210.06773	1.7
211.07579	3.7
212.08385	0.7
213.09067	0.6
217.08559	0.5
218.07185	3.3
219.08014	5.3
220.05331	0.7
220.08818	2.0
221.05989	4.4
221.09654	1.9
222.06749	2.7
223.07486	4.0
223.11172	0.9
224.08382	1.5
225.09108	2.2
226.06212	0.6
227.07025	1.4
231.08092	1.9
232.08772	1.1
233.05994	1.6
233.09598	1.2
234.06796	2.4
235.07515	7.9
236.04700	0.8
236.08287	3.4
237.05479	0.8
237.09064	3.9
238.06328	1.3
238.09912	0.6
239.06966	3.6
239.10667	1.4
240.07748	1.0
241.08571	1.1
245.06047	0.8
246.06764	0.8
247.07489	4.0
248.08305	1.1
249.05414	1.4
249.09074	4.9
250.06229	2.1
250.09909	1.6
251.07013	5.5
251.10744	1.8
252.07845	3.3
253.08595	3.5
254.09361	1.0
255.10152	1.4
257.08426	0.6
261.09140	2.2
262.06290	1.4
263.07025	3.8
263.10568	0.7
264.07806	3.8
265.08566	6.4
266.05884	0.7
266.09326	1.9
267.06567	1.4
267.10187	3.7
268.07306	0.7
269.08182	0.8
269.11575	0.7
271.09842	0.6
274.06268	1.0
275.07098	1.6
276.07764	1.5
277.08502	3.1
278.09366	2.2
279.06537	2.1
279.10156	4.6
280.07269	1.5
280.10608	0.8
281.08118	4.8
281.11172	0.7
282.08850	2.1
283.09637	1.6
285.11331	0.6
291.06842	0.7
291.10181	1.2
292.07343	1.6
293.08127	1.9
293.11572	0.9
294.08826	1.2
295.09586	4.5
296.10480	1.4
297.11151	1.8
299.09219	1.2
305.08154	0.6
306.08685	0.7
307.09641	26.5
308.10086	1.9
309.07779	0.9
309.11093	3.5
310.08167	0.7
311.09109	1.4
311.12506	0.6
313.10699	1.7
321.11316	1.0
323.09137	6.4
324.09918	1.8
325.10742	5.1
327.12241	0.7
329.13788	1.2
337.10721	1.9
338.11447	0.7
339.12302	2.9
340.09161	0.6
353.10129	0.7
355.11655	2.3
357.13184	1.6
367.11731	1.9
385.12811	100.0
386.13181	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	385.128
Annotation	4'-Demethyldeoxypodophyllotoxin
Peak:m/z	Relative Intensity
55.01860	1.6
65.03927	1.8
67.05495	1.0
69.88354	2.0
69.88763	1.6
72.55268	0.6
76.36436	0.6
79.05457	1.2
81.03429	0.8
91.05408	1.2
95.04935	1.1
99.62603	0.7
105.03445	0.7
105.07010	0.7
107.04992	0.7
110.03677	1.3
111.04433	2.0
115.05443	1.4
119.08545	0.7
121.06467	1.2
125.05961	1.7
126.14895	0.6
131.04916	0.9
147.04375	0.8
149.05989	0.7
151.03935	1.2
152.06221	0.9
153.05479	2.7
153.06934	0.9
155.04828	0.9
158.07272	0.7
159.08049	1.4
161.05988	1.0
165.06972	3.6
166.07779	1.3
167.08617	1.5
168.05766	0.8
175.07570	0.9
178.07710	3.1
178.18904	0.7
179.08545	2.3
180.09268	0.7
181.06465	2.5
182.07198	1.0
185.05997	1.1
187.07425	0.8
189.07048	1.0
190.07796	2.2
191.08574	3.4
193.06416	1.7
194.07246	2.3
195.07976	2.3
197.06088	0.8
197.09615	0.7
198.06839	1.3
199.07510	0.9
202.07831	1.6
203.08621	1.4
205.06500	3.1
206.07204	2.1
207.08060	4.1
208.05222	0.7
208.08838	1.9
209.05905	1.0
209.09619	1.1
210.06834	1.2
211.07468	4.0
217.08582	1.0
218.07281	3.0
219.08153	4.4
220.08858	1.4
221.06018	4.0
221.09572	1.7
222.06744	3.0
223.07507	3.6
223.11148	0.9
224.08334	2.1
225.05336	1.0
225.09061	2.9
227.06987	1.1
231.08095	1.6
232.08722	1.1
233.05937	1.1
233.09560	1.8
234.06813	2.8
235.07558	7.5
236.04697	0.9
236.08197	4.0
237.05479	1.3
237.09039	3.7
238.06285	1.0
238.09833	1.0
239.07010	3.0
239.10680	1.2
240.07895	1.3
241.08623	0.8
246.06796	1.6
247.07430	3.5
248.08371	2.2
249.05478	2.2
249.09106	4.3
250.06232	1.5
250.09985	1.9
251.07007	4.6
251.10706	1.6
252.07768	2.4
253.08578	3.8
254.09390	1.5
255.10008	1.5
260.08585	0.9
260.25772	0.7
261.09152	1.4
262.06284	1.0
263.07071	3.9
264.07782	4.8
265.08627	6.3
266.09473	1.1
267.06870	1.1
267.10147	4.8
269.08203	0.9
269.12015	0.9
275.07108	1.0
276.07849	1.7
277.08560	3.2
278.09357	2.5
279.06894	1.3
279.10123	5.9
280.07446	1.4
280.10822	1.2
281.07993	3.4
282.08728	1.7
283.09622	1.9
285.10873	0.7
291.06659	0.8
291.10049	0.9
292.07327	1.5
293.08066	2.0
293.11371	0.8
294.08942	1.1
295.09586	3.2
296.10110	1.1
297.11362	1.3
299.09290	0.8
307.09628	29.1
308.10358	2.2
309.07919	1.0
309.11148	3.8
313.10538	1.8
321.11017	1.0
323.09131	7.1
324.09875	1.2
325.10474	4.1
337.10822	1.4
338.11395	1.0
339.12277	2.2
353.10059	0.9
355.11667	2.0
357.13284	2.4
361.02237	2.3
367.11697	1.7
379.03372	1.1
385.12793	100.0
386.13254	3.5
388.12631	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1281
Annotation	4'-Demethyldeoxypodophyllotoxin
Peak:m/z	Relative Intensity
53.03937	0.7
55.01861	1.6
57.03456	0.5
65.03935	2.2
67.05503	1.3
68.18311	0.5
69.03432	1.0
69.69894	4.0
81.03410	0.6
81.07055	1.2
85.02918	0.7
91.05495	1.3
93.07002	0.7
95.01304	0.5
95.04982	1.0
98.20717	0.5
103.05486	0.8
105.03390	0.6
105.07009	0.7
107.04935	0.8
107.08598	0.6
110.03669	1.5
111.04451	2.1
115.05473	1.2
119.04958	0.6
121.02865	1.1
121.06507	0.6
125.05999	2.3
129.06938	0.6
131.04909	1.6
133.06537	0.7
135.92839	0.5
144.05733	0.7
145.06479	1.2
147.04498	0.7
149.02284	1.6
151.03911	1.7
152.06227	1.8
153.05475	3.4
153.06845	1.0
157.06519	1.1
158.07266	0.6
159.08047	1.1
161.05974	0.8
165.06982	4.1
166.07802	1.3
167.08556	1.3
168.05734	1.0
168.09399	0.6
169.06384	0.5
171.04309	0.5
175.07462	0.7
177.07031	1.0
178.07764	4.3
179.08574	3.3
179.10634	0.4
180.09227	0.5
181.05077	0.9
181.06418	2.5
181.09930	0.7
182.07280	1.6
183.08078	1.2
189.07014	2.7
190.07797	2.3
191.08566	3.1
192.09399	0.8
193.04948	1.0
193.06517	2.0
194.07277	2.8
195.08096	3.9
196.05200	0.7
196.08821	0.6
197.05963	1.2
197.09680	1.3
198.06757	0.9
199.07591	1.2
202.07811	2.1
203.08606	2.2
205.06502	3.2
206.07321	2.4
207.08089	5.9
208.05209	1.4
208.08818	2.8
209.05969	1.7
209.09613	2.1
210.06685	1.9
211.07562	3.6
217.06529	0.7
218.07245	3.1
219.08063	6.2
220.05193	0.9
220.08861	2.1
221.06038	4.2
221.09624	1.9
222.06740	3.6
223.07521	3.9
224.08313	1.8
225.09064	3.1
226.06242	1.1
226.09854	0.8
227.07118	1.2
227.10474	0.6
231.08046	2.3
232.08867	1.0
233.06067	1.2
233.09651	1.2
234.06731	3.7
235.07527	7.6
236.08221	4.0
237.05420	0.8
237.09125	4.1
238.06306	2.7
238.09744	0.5
239.06987	3.2
239.10573	1.1
240.07741	1.4
245.06049	0.6
246.06741	1.9
247.07587	4.5
248.08315	1.9
249.05455	2.1
249.09102	4.3
250.06268	2.2
250.09935	1.9
251.07043	6.4
251.10664	2.0
252.07758	3.0
253.08582	4.5
254.06059	0.7
254.09328	1.5
255.06706	0.6
255.10251	1.1
257.07889	0.5
259.07581	0.9
261.09143	2.4
262.06265	1.1
263.07016	4.6
263.10275	0.9
264.07819	4.8
265.08600	6.9
266.05917	0.6
266.09351	1.3
267.06522	1.8
267.10156	5.8
268.07346	1.0
268.10733	0.9
269.08167	1.2
269.11514	0.6
274.06247	0.9
275.06970	1.6
276.07782	2.0
277.08588	4.0
278.06226	0.7
278.09396	2.2
279.06610	1.5
279.10181	5.6
280.07315	1.5
280.10483	0.8
281.08115	5.0
281.11545	1.1
282.08792	1.7
283.09677	1.6
289.08618	1.1
291.06580	0.8
291.10141	1.3
292.07373	1.1
293.08081	2.3
293.11520	0.8
294.08734	1.3
295.09647	5.0
296.10571	1.0
297.11252	1.8
299.09354	0.8
307.09628	30.2
308.10162	2.4
309.07690	1.2
309.11234	3.6
310.08362	0.8
311.09167	1.2
313.10818	1.4
319.09744	0.6
321.11157	0.7
323.09131	7.5
324.09915	1.2
325.10699	5.3
327.12201	0.7
329.13852	1.2
335.09113	0.6
337.10635	2.2
338.11511	1.4
339.12378	3.4
353.10400	0.8
355.11710	2.9
357.13303	2.4
367.11682	0.8
379.29584	0.5
385.12823	100.0
386.13107	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	385.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.9
55.01870	4.5
56.96559	3.6
67.05508	3.4
69.03439	3.4
71.02932	3.1
71.03285	5.9
79.05488	8.1
85.02905	8.8
91.05470	3.4
95.04963	5.4
97.02906	6.1
97.57610	2.4
103.05462	10.1
105.07027	63.4
115.05478	18.1
117.07012	4.7
118.04171	4.1
119.04984	3.6
123.04429	6.1
131.04950	7.1
133.06487	55.5
137.05977	3.6
143.05960	3.7
145.06461	6.4
146.99548	3.2
147.04390	5.1
151.03880	4.9
151.99979	2.5
157.06438	2.9
157.55533	2.5
161.04620	4.8
161.05980	100.0
162.06549	3.8
167.07025	27.9
168.56833	2.6
169.04965	2.3
169.06512	3.5
170.88335	2.4
173.06004	2.8
175.03821	3.3
175.07555	5.3
177.05481	3.2
179.03453	4.8
179.07056	3.4
181.05147	3.3
190.06212	2.8
193.04996	3.7
193.08604	52.3
201.05540	4.6
203.06972	2.6
205.08592	7.1
207.06517	13.1
219.06612	3.6
221.08093	3.4
224.97055	2.8
229.00081	3.1
229.04893	3.4
231.06537	5.1
233.04471	7.7
233.08028	5.2
251.09152	23.1
253.07558	5.3
261.07507	5.5
263.09186	4.6
289.07086	3.6
307.08102	3.6
321.55081	2.8
385.14853	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	385.0315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85748	1.0
56.09478	1.3
56.96296	1.3
56.96563	16.7
58.61718	1.2
63.95380	1.1
71.23270	2.5
71.95255	2.2
78.93982	1.2
93.99090	1.0
98.97583	61.1
108.59067	1.3
116.98620	89.8
117.98979	1.6
118.98218	2.4
118.99017	2.7
119.01894	3.8
134.99654	100.0
135.99988	2.4
137.02934	2.8
140.00180	2.6
153.00713	24.3
158.01260	6.0
177.00983	11.7
178.01027	2.4
179.00749	1.9
217.04074	1.5
219.02014	20.2
220.02167	2.5
221.01744	2.4
222.02003	1.5
225.00981	1.6
234.99879	4.6
236.00095	2.9
236.99826	6.3
237.99939	1.5
240.98840	3.1
242.03682	1.6
242.98611	2.3
243.01991	3.5
255.00746	2.4
256.00882	1.9
258.99805	33.3
259.99924	9.0
260.99646	42.2
261.03055	62.6
261.99927	3.5
262.03220	5.2
263.02917	4.0
266.98724	1.7
277.00842	76.4
278.01013	22.2
279.00638	86.7
280.00906	5.4
282.01437	2.3
282.99997	3.8
284.00449	5.2
284.04425	2.1
284.99823	24.5
285.99890	4.7
293.99020	1.6
300.02472	4.9
301.00888	14.0
302.01279	10.6
303.00867	54.8
304.00916	13.6
305.00821	2.0
318.98984	1.7
321.01883	3.8
326.02377	2.8
343.01920	4.5
361.01254	11.3
379.02524	8.2
385.03629	7.7
398.98123	1.5
403.00818	10.4
403.04633	6.7
404.00589	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.8
55.01870	7.0
57.03444	6.1
57.07080	2.8
61.02920	6.8
68.99799	3.6
69.03432	36.0
70.06585	3.8
70.15697	5.1
71.04999	4.7
71.65569	1.1
73.02926	7.0
81.03418	26.6
85.02908	100.0
87.00831	44.1
87.01350	2.5
87.04464	2.6
91.03975	2.6
97.02897	35.2
99.04465	12.0
101.02392	1.2
105.01868	70.3
106.02229	1.5
107.08559	1.3
109.02885	32.4
115.03912	1.9
117.01888	2.8
119.10696	3.5
121.06509	2.1
127.03920	72.3
129.01839	1.8
137.06033	1.8
139.03873	1.5
145.04964	29.9
147.02899	2.8
153.01752	1.5
153.05466	1.9
159.02885	15.0
188.11563	1.4
189.03981	2.7
192.71468	1.3
201.05534	3.2
213.03946	5.3
222.11256	1.6
223.09814	1.6
223.29198	1.2
231.05028	19.6
249.06084	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	383.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00076	3.3
54.30794	3.8
55.05505	17.4
57.03439	4.7
57.07067	10.1
59.04998	7.1
65.00446	3.6
67.05501	54.0
69.03411	10.3
69.07058	9.8
71.04981	10.8
74.00925	2.9
79.05481	31.4
81.07055	36.0
83.04971	6.5
83.08617	4.1
83.84841	3.7
91.05472	45.2
93.07040	100.0
93.85358	3.3
95.04958	27.0
95.08603	38.8
95.46469	3.3
97.06526	14.8
98.20621	6.5
105.06317	3.7
105.07028	76.7
107.08592	40.8
109.06528	27.0
109.10159	33.2
111.08088	9.1
117.07007	11.5
119.08582	52.3
121.06493	13.8
121.10146	37.6
123.08051	30.3
128.06232	7.4
129.06999	12.1
130.07796	6.2
131.08540	29.8
133.06473	11.1
133.10146	32.9
135.08051	20.9
135.11678	7.3
137.09593	14.0
141.06975	5.0
142.07793	19.0
143.08543	26.5
145.10114	32.8
147.08020	32.9
147.11664	12.0
149.09627	29.5
151.07564	36.4
155.08568	8.4
156.09354	8.9
157.10133	49.8
159.08057	7.9
159.11717	18.1
161.09641	22.5
161.13263	5.6
163.11189	9.9
165.09128	58.6
169.10106	8.1
170.10941	9.0
171.11740	6.2
173.09605	9.6
173.11807	6.4
173.13293	9.8
175.11133	22.2
175.14789	9.4
177.09070	7.7
178.10030	5.1
183.11655	4.5
185.13275	18.4
187.11182	6.1
187.14726	4.7
189.12738	9.8
191.14287	6.9
195.11743	5.3
197.13278	5.1
199.11162	5.0
201.12743	9.9
203.14297	34.9
207.11839	5.6
207.13841	15.1
209.13377	3.5
209.15292	7.6
211.11182	4.2
213.12764	5.8
215.14406	5.2
216.15033	4.7
219.13765	4.9
221.15358	84.2
222.15723	3.9
225.12598	4.2
227.14426	4.3
231.13824	4.7
233.15419	6.1
234.16068	10.9
237.14893	4.5
243.13768	5.9
272.87167	4.0
286.19223	4.6
287.19989	6.4
299.20062	5.4
303.19589	8.5
327.19415	4.0
365.24585	8.0
383.20746	7.3
383.25635	49.3
384.26010	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	383.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.7
55.01867	5.2
55.05504	16.8
57.07064	9.7
59.04992	6.6
65.03918	3.6
65.12368	2.7
67.05172	4.1
67.05505	60.7
69.03432	18.3
69.07064	11.1
71.04996	8.1
71.58653	4.7
79.05499	30.5
81.07061	45.7
83.04976	8.7
83.08608	7.0
85.06549	8.9
89.14783	2.6
91.05477	49.2
93.07047	100.0
95.04968	29.4
95.08604	49.5
96.84335	2.9
97.06523	18.4
103.05482	3.7
105.07037	90.3
107.08598	45.6
109.06519	26.5
109.10165	31.2
111.08070	7.5
115.05441	5.8
116.06226	2.9
117.07054	14.0
119.08583	68.3
120.09329	4.0
121.06503	13.5
121.10139	49.3
123.08058	34.4
123.11712	2.8
124.73242	2.5
128.06224	11.4
129.06989	12.8
130.07773	5.6
131.08572	32.5
133.06496	7.2
133.10117	35.6
135.08057	28.1
135.11705	6.6
136.14404	3.2
137.09636	12.3
137.66309	2.9
141.07019	3.7
142.07782	21.1
143.08548	24.6
144.09367	4.5
145.06479	3.9
145.10129	41.8
146.07291	2.9
147.08054	29.1
147.11671	21.4
149.09654	19.9
151.07541	41.0
153.09097	3.6
155.08531	8.4
156.09335	9.5
157.10144	45.1
159.08047	11.5
159.11696	17.6
160.08879	5.2
161.09596	21.5
161.13242	8.7
163.11171	8.8
165.09122	50.8
167.08609	5.1
169.10153	8.7
170.10887	6.5
171.11690	10.4
173.09621	10.5
173.11853	4.4
173.13194	7.1
174.10394	3.4
175.11205	22.7
175.14792	6.2
177.09131	8.1
183.11699	8.8
185.13246	19.8
187.11211	9.0
189.12791	10.3
191.14334	4.6
195.11700	5.8
197.13254	4.6
201.12749	9.3
203.14307	37.5
207.13803	14.9
209.13348	4.5
209.15291	4.1
213.12714	4.2
215.14352	8.1
219.13788	6.3
221.15347	83.7
225.12845	4.5
225.16376	4.2
227.14259	5.4
233.15413	8.6
234.16141	9.8
237.14879	7.0
243.13751	5.9
253.39911	3.0
286.19202	6.3
287.19931	8.7
299.20047	8.2
303.19482	7.6
365.24805	11.7
383.20346	38.1
383.25748	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	383.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	8.3
55.05509	23.4
57.07072	10.8
59.04990	8.2
63.99470	4.2
65.03941	8.8
67.05507	53.6
69.03429	22.7
69.07059	12.0
70.62938	13.3
71.05001	9.7
79.05496	35.7
81.07057	46.6
83.04986	10.5
83.08585	6.9
85.06536	5.1
91.05474	58.3
93.07043	100.0
95.04974	39.1
95.08601	44.4
97.06519	18.8
103.05453	3.9
105.07028	99.9
107.04957	7.3
107.08592	55.7
109.06512	22.9
109.10163	33.0
111.08086	9.8
115.05423	7.2
117.07028	15.2
119.08579	58.8
120.09424	5.8
121.06511	16.5
121.10142	47.1
122.07350	4.7
123.08067	38.1
128.06224	7.3
129.07001	14.8
130.07791	4.8
131.08575	26.8
133.06503	9.1
133.10139	38.4
135.08066	31.1
135.11681	4.9
137.09610	16.0
142.07776	26.4
143.08563	30.3
145.10121	44.9
146.07230	4.6
147.08057	29.3
147.11702	22.1
149.09604	29.7
151.07542	44.5
155.08580	9.8
156.09381	12.0
157.10136	39.7
159.08070	15.4
159.11655	16.9
161.09630	23.3
161.13271	9.5
163.11169	10.2
165.09135	54.2
169.10147	5.6
170.11012	6.3
171.11726	5.5
173.09590	12.0
173.13284	8.0
175.11218	25.0
175.14806	10.9
177.09134	16.4
179.08632	4.5
179.10651	5.3
185.13272	17.0
187.11192	6.6
189.12769	15.0
191.14427	4.5
195.11644	5.6
197.13318	4.8
199.14825	4.6
201.12776	8.4
203.14285	33.7
207.13858	14.0
209.15327	5.8
213.12759	7.8
215.14281	7.2
216.15088	5.1
221.15350	99.0
227.14250	5.3
233.15338	4.9
234.16156	22.5
281.18997	4.8
287.19968	8.5
297.17755	3.8
299.19971	7.6
303.19482	11.5
365.24655	11.7
383.25763	64.4
384.26077	5.7
395.45947	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	383.2579
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
52.69393	2.4
53.03947	4.1
55.05510	18.4
55.54475	2.3
57.03448	4.2
57.07078	14.7
59.05009	6.6
64.71855	2.9
65.03934	3.9
67.05504	34.7
69.03425	14.3
69.07063	7.8
70.84519	8.1
71.04997	6.9
72.59864	2.8
73.34069	2.3
77.03909	2.4
79.05498	37.4
80.26528	2.2
81.07056	41.4
83.04980	3.2
83.08639	4.3
85.06544	4.7
91.05481	49.9
93.07042	100.0
95.04967	29.7
95.08603	42.2
97.06568	14.4
97.07116	3.5
103.05420	5.2
105.07034	87.7
107.04951	3.1
107.08598	46.3
109.06517	32.1
109.10149	20.0
111.08094	11.5
115.05416	2.7
117.06998	12.1
119.08575	56.7
120.09350	4.8
121.06513	16.1
121.10141	46.3
123.08083	33.2
123.11710	2.5
125.09653	2.6
128.06238	5.7
129.07025	11.5
130.07759	4.0
131.08557	30.6
133.06485	10.5
133.10136	32.4
135.08063	27.3
135.11705	4.5
137.06012	3.6
137.09605	14.5
141.07030	4.3
142.07780	23.1
143.08562	22.6
144.09354	5.9
145.06534	3.8
145.10118	38.0
147.08049	29.9
147.11668	17.9
149.09608	21.9
151.07547	45.4
151.08670	4.2
153.09154	3.5
153.44617	2.5
155.08574	6.2
156.09335	8.1
157.10147	48.4
159.08060	7.4
159.11671	20.0
160.08781	3.2
161.09621	23.2
161.13271	8.4
163.11205	6.7
165.09102	39.2
167.08549	3.5
169.10172	4.4
170.10907	6.1
171.07904	2.7
171.11693	5.8
173.09639	10.9
173.11874	3.2
173.13289	8.0
175.11165	23.8
175.14830	7.9
177.09091	12.5
178.09831	3.7
179.10582	3.2
181.10103	3.7
182.10844	3.7
183.11696	4.8
185.09662	4.3
185.13245	22.8
187.11133	3.3
189.09096	2.6
189.12750	14.9
191.14270	4.5
195.11705	5.3
197.13210	4.7
199.11145	3.5
199.14778	4.7
201.12770	9.5
203.14334	35.0
207.11955	4.1
207.13733	15.9
209.13341	3.9
209.15408	3.5
211.11215	3.6
211.14801	3.8
213.12759	5.1
215.14345	10.4
219.13788	3.6
221.15373	76.6
225.12877	3.8
225.16309	3.2
227.14264	5.5
231.13783	6.2
233.15430	7.9
234.16167	11.4
243.13812	3.4
274.19141	4.1
286.19232	7.2
287.20084	10.1
299.20160	6.5
303.19617	9.5
365.24664	13.8
383.25803	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76091	4.5
54.17500	4.8
55.01859	11.2
55.05508	20.1
57.03433	31.6
61.02937	8.8
65.03933	6.3
67.05498	100.0
69.03421	17.6
69.07057	18.7
71.04992	8.0
71.58580	11.4
73.02891	6.5
79.05483	38.4
81.03400	16.1
81.07054	32.6
83.04961	12.8
83.08622	11.9
85.02901	7.8
85.06547	21.1
86.85551	5.6
91.05475	33.7
93.07043	22.5
95.04962	44.9
95.08605	22.1
97.06538	28.6
99.08058	5.5
105.07057	25.9
107.04913	12.4
107.08594	25.8
109.06517	38.8
109.10152	47.8
113.06001	49.9
117.06995	11.9
119.08570	24.8
121.06480	8.4
121.10118	8.0
127.03898	6.1
129.06972	7.0
131.08600	12.8
133.10150	15.0
135.04468	6.3
135.08066	28.2
135.11667	11.3
137.05951	7.2
137.09700	5.9
143.08530	7.3
145.10150	18.4
147.04405	8.4
147.11719	8.0
149.09607	6.7
155.08559	6.9
157.10098	6.3
159.11766	8.4
161.05904	9.2
161.09702	8.2
161.13251	5.3
162.06749	13.6
163.03906	15.2
165.09174	6.5
173.11725	18.3
178.06235	10.8
190.06271	21.1
191.03314	6.3
191.59361	5.1
193.08542	9.7
193.12144	7.6
201.09021	7.2
201.16312	6.5
209.09753	7.4
217.15929	14.1
219.08139	6.6
221.08052	94.1
225.09129	8.9
227.10672	9.4
233.59744	5.4
240.11465	5.5
251.10828	7.3
253.12213	9.1
273.18466	19.4
279.13742	8.5
291.19598	42.2
298.21515	5.5
305.12109	5.5
305.15506	8.0
311.05383	7.2
321.14926	7.5
323.16495	17.0
339.08850	8.2
339.15891	8.1
351.09128	6.2
365.12805	11.4
365.17404	11.5
365.23148	9.7
383.10999	19.2
383.18637	14.1
383.24075	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	383.2576
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.00967	4.6
53.01648	4.1
53.03933	11.2
55.05509	26.3
56.36226	4.5
57.07067	19.0
59.04995	11.2
59.79630	5.7
65.03945	4.4
67.05172	7.9
67.05502	95.0
69.03403	13.2
69.07059	13.6
71.04974	7.4
71.50056	4.1
71.58780	7.2
71.59216	6.0
79.05489	27.2
81.07062	47.9
83.05003	5.7
83.08591	9.0
85.06554	6.1
91.05479	58.1
93.07040	100.0
95.04967	23.9
95.08595	45.4
97.06521	9.9
103.05494	5.1
105.07020	72.5
107.08601	47.8
109.06516	25.8
109.10143	68.7
111.08081	8.2
117.06992	12.9
119.08578	62.8
121.06474	10.6
121.10136	40.5
123.08067	40.4
128.06210	9.2
129.06981	14.8
131.08559	25.9
133.06464	6.3
133.10121	27.4
135.08023	24.3
137.09618	13.4
141.06940	5.0
142.07782	17.6
143.08534	22.7
145.06499	7.8
145.10121	31.8
147.08047	29.1
147.11674	15.5
148.08731	6.2
149.09625	25.6
151.07533	36.1
155.08577	11.4
156.09299	7.9
157.10106	32.7
159.08005	9.7
159.11647	13.7
161.09608	18.8
161.13264	6.9
163.11180	10.7
165.09117	32.8
171.11641	6.4
173.09642	10.0
173.11682	15.6
173.13168	8.6
175.11150	19.6
175.14984	5.0
177.09114	8.7
185.13283	13.0
188.93791	4.8
189.12769	6.3
199.04619	4.9
199.11148	6.6
201.12706	8.4
203.14307	30.9
207.13766	15.2
215.14195	7.5
219.13690	6.7
221.15361	54.5
233.15308	6.8
234.16116	10.4
261.03348	4.5
286.19055	5.5
287.20172	8.4
303.19617	6.7
365.24686	8.3
383.25754	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.9
55.01860	17.6
55.05512	28.2
56.91225	5.4
56.96552	13.7
57.03421	13.0
64.38985	5.5
67.05482	22.6
68.99772	11.4
69.03429	100.0
69.07065	17.7
69.67150	12.5
69.67542	33.5
71.01356	7.6
71.04986	40.2
73.02909	8.4
79.05485	34.2
81.03416	42.2
81.07052	50.0
83.04984	8.2
83.08608	10.3
85.02888	43.4
87.00838	31.6
89.77473	5.7
91.05477	51.3
93.07050	46.3
95.04953	24.4
95.08627	30.5
97.02898	48.0
97.06516	7.7
99.08099	10.8
100.11256	11.2
105.01843	6.5
105.07020	73.2
107.04951	21.6
107.08595	45.1
109.02898	5.8
109.06518	20.6
109.10146	30.7
111.04435	10.4
112.60115	5.2
115.05371	5.4
116.06233	6.1
116.98618	6.4
117.07009	23.2
119.04910	14.7
119.08581	35.3
121.06509	29.1
121.10130	22.1
123.04433	9.7
123.08067	19.1
123.11727	15.4
125.05974	6.7
127.03918	9.8
127.07538	14.4
128.06155	11.7
129.01855	8.0
129.07024	12.2
130.07793	9.7
131.08559	27.6
133.06503	15.8
133.10126	20.0
135.08040	13.3
135.11687	24.3
137.05962	15.4
137.09586	8.5
142.07706	5.7
143.08585	21.3
145.06514	12.9
145.10112	39.6
146.99611	7.4
147.02982	5.3
147.08018	22.2
147.11667	21.9
149.09610	9.6
151.04002	5.9
151.07500	6.2
151.11180	15.8
153.12854	5.5
155.08539	14.8
156.09311	7.5
157.06508	7.3
159.02882	7.6
159.08156	6.7
159.11743	15.6
161.09590	8.1
163.07504	7.5
163.11171	19.9
165.09070	6.6
165.12769	27.5
171.08098	12.8
171.11652	10.4
173.09662	49.2
175.07542	21.4
175.11185	8.4
177.12698	27.2
182.15379	5.9
187.11194	7.1
189.09131	14.5
189.12732	11.7
191.10672	22.9
193.12225	10.4
197.13274	7.2
201.03929	21.6
201.12802	6.2
205.12234	7.6
207.13780	7.0
210.14806	6.2
215.14346	11.3
216.71919	5.6
217.07472	7.6
219.13797	12.0
229.07443	50.0
243.10103	7.3
243.13838	19.3
247.08488	40.2
261.14853	41.6
268.71603	5.2
279.15884	16.2
291.10153	10.1
323.12436	7.5
347.14987	12.3
365.15781	16.1
383.17410	54.7
401.09378	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	383.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.7
55.01860	19.8
55.05523	32.4
57.03425	9.4
61.02925	12.9
67.05499	24.8
68.99779	18.4
69.03085	6.9
69.03429	100.0
69.07056	23.5
71.04987	59.9
71.28617	10.3
71.28941	7.8
73.02922	10.9
79.05482	33.6
81.03415	49.9
81.07059	50.2
83.04982	15.0
85.02901	45.8
85.06553	6.0
87.00819	28.1
91.05475	65.5
93.07049	57.8
95.04963	24.4
95.08601	37.5
97.02887	93.4
97.06516	14.9
99.04456	7.0
99.08089	9.8
100.11253	7.0
105.07035	78.1
107.04945	22.6
107.08587	57.3
109.02856	6.9
109.06520	31.8
109.10146	24.3
111.04456	14.8
115.03897	12.1
115.05417	9.1
117.07026	32.1
119.04926	9.8
119.08598	48.4
121.06467	31.9
121.10159	37.4
123.04428	10.0
123.08047	20.0
123.11680	11.4
125.05956	11.7
127.03904	11.7
127.07556	12.8
128.06221	17.1
129.01807	8.8
129.06989	18.8
130.07744	10.8
131.04926	11.5
131.08571	35.1
133.06468	12.0
133.10136	18.8
135.08113	13.9
135.11707	24.7
137.05978	18.6
137.09656	7.1
141.06978	8.1
142.07756	6.7
143.08562	19.3
145.06473	14.6
145.10130	52.7
147.08051	24.9
147.11665	25.2
149.09552	5.6
149.13222	9.0
151.11174	11.5
155.08560	15.9
157.06456	11.8
157.10097	8.9
158.07251	8.1
159.02879	9.6
159.08067	12.8
159.11655	14.8
161.09621	12.9
161.13295	5.5
163.07457	5.7
163.11180	21.2
165.09164	6.9
165.12730	23.8
171.07988	7.7
171.11662	13.5
172.08876	6.7
173.09628	56.5
173.13162	6.3
175.07562	16.4
175.11145	10.6
177.12779	29.9
181.06587	5.6
187.11151	11.4
189.03772	9.3
189.09102	11.0
189.12718	11.2
191.10730	27.8
193.12173	14.4
197.13269	7.9
201.03941	22.7
201.12837	7.8
205.12227	15.5
207.13820	10.2
209.11728	6.6
215.14272	8.2
219.13849	6.4
221.08186	9.6
233.15155	7.0
243.13878	18.1
261.14716	32.5
279.15942	18.0
291.19510	7.3
317.06973	6.1
347.15002	9.1
365.15945	20.5
383.16608	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	383.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58651	5.9
55.05501	10.3
57.58009	6.5
66.59836	5.8
67.05491	20.9
69.07066	11.2
69.75657	6.1
70.56956	12.6
70.57340	15.7
72.43137	5.8
79.05503	12.4
79.34854	5.9
81.07057	24.6
90.97725	6.0
91.05485	22.7
93.07031	12.2
95.04961	7.1
95.08624	12.6
97.02908	12.5
105.07028	23.3
109.10140	19.6
117.07062	6.8
122.03664	14.2
128.06233	7.4
131.08542	10.2
137.05989	100.0
145.10083	7.9
161.05963	27.0
199.07520	60.9
202.07848	7.2
203.08533	17.8
219.08112	7.5
220.08990	7.6
231.08055	28.9
232.08919	10.6
248.08382	11.9
248.99673	7.3
259.07581	27.3
260.08450	9.2
263.10727	15.4
276.07935	9.3
277.08563	8.7
291.10141	77.4
292.33237	8.1
293.08237	7.1
323.12833	23.1
377.17673	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	383.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	5.7
58.98246	4.1
63.44669	4.4
67.05508	47.0
67.08817	3.8
67.75581	4.6
71.57986	4.1
74.71367	5.1
76.18755	4.1
79.05478	6.1
81.07044	9.8
83.08640	7.1
91.05461	11.1
95.08601	5.7
96.05662	4.0
101.71768	4.0
103.05493	6.6
105.07025	14.8
107.08581	7.6
108.36327	4.2
109.10156	33.0
112.27161	4.4
115.05441	5.7
121.12669	4.7
122.03625	8.1
133.06477	17.3
137.05975	100.0
146.03641	6.6
161.06001	50.5
173.11728	6.4
184.05202	5.7
190.44841	4.8
199.07574	27.9
202.07771	18.5
203.08549	23.3
219.07988	7.4
231.08014	32.9
232.08835	8.2
247.07536	5.9
248.08406	11.1
259.07556	16.3
260.08347	6.8
263.10654	17.5
276.07913	10.7
291.10153	81.7
292.10822	9.3
323.12704	16.0
351.12354	11.7
383.24359	10.5
400.29034	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	383.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.1
55.01868	28.9
55.05513	13.6
55.53228	3.1
57.03433	28.3
61.02930	5.1
65.03939	7.5
67.05174	4.4
67.05506	61.9
68.99792	9.0
69.03430	47.0
69.07062	10.3
71.01356	5.1
71.04991	16.4
71.58189	4.0
73.02917	4.2
79.05489	94.0
81.03410	57.1
81.06578	6.1
81.07056	100.0
83.04980	33.5
83.08628	3.4
85.02903	42.2
85.06554	5.6
87.00816	24.8
87.04483	5.0
91.05476	61.0
93.07042	75.9
95.01344	3.3
95.04966	55.8
95.08606	30.3
97.02882	29.3
97.06506	13.3
99.04449	18.2
103.03951	33.8
103.05482	5.2
105.01889	9.0
105.07030	57.9
105.07684	4.6
107.04949	19.1
107.08597	76.5
109.02876	17.7
109.06513	50.3
109.10157	46.3
111.04451	9.9
111.08068	7.6
113.05993	5.1
114.74898	2.5
115.03925	6.7
115.05442	4.2
117.07034	20.7
119.08572	53.1
121.06507	19.2
121.10144	37.2
123.04426	63.9
123.08055	24.1
123.11713	7.6
125.05988	17.6
125.09673	4.6
127.03933	11.4
128.06174	3.9
129.01823	9.7
129.07005	13.0
130.07759	4.1
131.04971	4.1
131.08569	23.7
133.06464	6.9
133.10115	33.1
135.04384	3.4
135.08058	14.0
135.10185	3.1
135.11688	27.9
137.05994	10.8
137.09613	37.1
141.05421	7.3
141.06985	5.7
142.07787	8.7
143.08540	13.7
144.09328	3.0
145.06537	5.9
145.10127	28.8
147.02943	6.5
147.08043	13.3
147.11678	28.7
149.05984	13.7
149.09612	4.2
149.13263	5.3
151.07526	16.0
151.11165	6.6
153.09106	5.5
155.08589	7.6
156.09364	3.2
157.10101	15.5
159.08095	8.4
159.11684	20.4
161.09650	7.5
161.13280	5.4
163.07581	4.2
163.11192	23.7
165.09134	9.4
165.12782	11.3
167.07077	8.0
167.08502	6.7
169.10095	5.8
170.06033	3.1
171.02888	3.7
171.11728	11.3
173.09598	6.9
173.13295	5.4
175.07542	5.8
175.11211	12.7
177.12747	9.1
179.07106	3.7
179.10616	3.0
181.12271	4.4
183.11711	6.9
187.11249	8.0
189.03894	14.6
189.12729	7.6
191.14471	3.0
193.08556	4.0
195.11633	2.7
197.13277	9.4
199.07602	2.8
199.11278	3.1
201.12755	11.5
205.12337	4.1
207.11676	3.4
207.13661	3.8
215.14326	7.9
219.13789	10.6
225.12672	7.6
232.60252	2.6
243.13760	25.8
253.48338	2.8
255.01582	3.5
260.08499	2.8
261.14850	26.4
273.18469	6.3
279.15948	6.3
280.82565	3.2
291.19858	4.1
328.30823	2.8
365.16000	9.3
378.02203	4.7
383.16806	9.0
383.23648	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	383.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02902	3.6
68.29905	1.5
69.03429	10.1
70.88184	4.8
73.02897	2.1
74.02419	3.4
74.57864	2.0
77.41814	1.7
81.03408	6.0
85.02899	31.4
90.11677	1.6
94.06634	1.8
97.02885	7.5
99.04420	2.9
103.03967	1.8
109.02856	4.4
110.07187	8.7
118.06546	6.8
120.08076	2.0
127.03916	7.1
130.05582	3.7
130.06529	62.5
131.06871	1.8
132.04454	16.2
132.08076	6.4
133.05115	2.2
136.06209	2.5
136.07549	4.5
142.06445	2.2
144.06902	2.0
144.08075	26.7
145.07623	21.4
146.05998	14.5
148.07585	3.8
149.81834	1.9
154.06508	4.1
156.08055	3.4
157.07616	56.6
158.06015	48.9
158.08162	2.5
159.09172	8.1
160.07614	4.9
166.06544	1.8
169.07602	3.8
170.05980	3.5
170.08353	2.1
171.06752	2.1
171.09200	10.2
172.07588	10.0
174.05482	7.9
175.08673	57.3
175.10130	3.8
176.07034	2.9
181.07660	4.8
182.08386	2.8
183.09187	14.6
184.06030	2.4
184.07529	3.2
184.53156	1.7
185.07065	11.6
186.05486	2.5
186.07852	3.5
187.08530	2.9
196.07713	1.9
198.05562	2.6
199.08684	8.9
200.07074	16.4
202.07158	1.9
203.08150	100.0
204.06627	3.9
206.08403	2.6
209.07109	7.7
215.08240	3.1
216.06693	2.3
216.08908	5.8
217.09729	31.7
221.09210	53.2
227.08133	14.0
228.06622	3.9
231.07640	7.9
234.06224	2.0
245.09200	25.8
251.08815	5.3
251.14839	1.9
263.10281	39.6
279.08508	2.7
299.10239	5.8
329.11261	2.8
330.09851	2.4
347.12460	9.0
348.10794	9.5
365.13501	26.9
383.14294	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	383.1335
Annotation	Uncinoside A
Peak:m/z	Relative Intensity
51.51079	0.4
51.68375	0.4
54.65357	0.4
55.01890	0.7
55.05507	0.9
57.03434	0.5
60.78469	0.5
61.02886	0.5
67.05492	2.1
69.03416	1.4
69.07050	1.1
69.33080	0.5
69.70023	1.1
69.70428	2.0
71.04982	0.7
73.95253	0.5
79.05496	2.2
81.03441	1.0
81.07065	2.5
83.04980	0.7
85.02900	1.5
85.06541	0.5
86.09694	0.6
91.05479	2.2
93.07036	1.8
95.04960	1.8
95.08579	1.7
97.02898	4.9
97.06554	2.4
98.06078	0.7
98.20749	0.5
104.03489	0.4
105.07025	2.5
107.04971	0.5
107.08625	1.4
109.06515	1.3
109.10097	0.8
111.08075	0.6
115.24843	0.5
117.07013	1.2
118.06568	1.2
119.04942	0.8
119.08594	1.6
121.06495	1.2
121.10139	0.6
123.04414	0.8
123.08060	0.6
125.06042	0.9
127.03999	0.6
129.06953	1.1
131.08560	1.0
133.06461	0.9
133.10109	1.1
135.11708	0.7
137.05980	1.9
138.06319	0.8
141.06937	0.6
144.08046	1.1
145.06433	0.8
145.10114	1.6
146.06030	3.7
147.04408	0.9
147.11661	1.0
150.06761	0.6
152.14357	2.5
153.01804	0.7
155.08374	0.6
159.08046	0.6
159.11693	0.8
161.05951	0.6
161.09622	0.5
163.03920	0.5
163.11110	0.8
173.09596	1.4
175.07532	0.6
184.07451	1.0
186.06754	0.6
187.11111	1.3
188.07095	2.7
192.04155	4.5
196.17012	1.1
197.09715	0.6
201.09077	0.5
203.14290	0.8
205.04930	3.1
205.12282	0.7
206.05734	7.0
207.22821	0.5
215.10652	0.7
219.08069	1.2
221.08092	100.0
222.08379	2.5
229.08658	0.6
230.07362	0.6
231.08098	0.7
246.06802	0.5
247.07555	1.6
248.08310	1.7
254.17567	1.1
259.07635	0.6
261.09244	0.7
262.09998	0.6
263.10675	0.9
264.07758	0.8
265.08438	0.6
273.08942	0.6
275.07071	0.6
276.07849	1.3
281.45920	0.4
290.09134	0.8
291.10175	2.3
292.07434	0.7
292.10770	0.6
293.08023	1.2
303.17856	0.7
307.09723	0.9
308.10211	1.0
315.08789	0.7
319.09610	0.8
321.07513	0.8
321.18912	0.9
323.12683	1.8
330.10928	0.5
337.10818	0.7
339.20779	1.1
351.12283	2.1
353.10028	1.0
355.11890	0.8
368.12491	1.3
383.15094	7.2
383.23071	3.6
383.29782	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32184	5.0
56.96561	23.3
62.03598	4.0
68.99798	11.5
70.06593	12.8
71.57497	5.3
72.08125	6.0
80.03675	4.0
84.96043	8.8
86.09673	5.6
87.00845	4.7
91.05466	11.2
98.97567	20.6
103.05476	11.4
110.07149	6.5
111.04411	7.3
116.07140	4.6
116.98630	28.7
117.07033	8.1
119.04961	11.7
121.06530	13.4
131.04958	5.8
134.99655	40.2
145.06461	15.7
146.03676	6.8
147.04443	23.3
149.05960	4.8
153.00697	11.3
161.01237	12.8
164.04604	4.8
169.04936	9.9
173.01372	5.8
173.06032	10.8
177.00690	6.2
177.05495	18.7
187.03796	6.1
189.00659	5.4
193.04930	7.0
199.99881	5.8
201.00670	8.0
201.05635	7.6
203.03546	6.1
205.04959	7.7
207.06511	25.6
218.05750	6.5
219.01871	5.6
219.06535	5.5
222.05275	8.3
229.04977	6.7
233.08078	29.2
235.05998	10.1
237.02759	7.4
237.07651	15.3
247.05962	10.0
256.02444	5.0
261.07520	45.0
264.06366	8.4
279.03940	8.1
279.08640	100.0
359.06601	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	383.089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45264	2.0
53.31758	1.8
55.05517	10.1
56.96545	2.3
57.07060	6.8
63.38409	1.8
67.05489	6.1
69.07050	4.7
71.04994	2.3
71.58737	3.1
74.09715	3.5
79.05484	4.4
81.07043	6.1
82.06607	2.1
83.08607	4.6
85.06511	2.1
91.05463	5.6
93.07030	3.7
95.04975	2.9
95.08613	3.1
96.13382	2.1
97.02862	5.5
100.07629	2.9
100.11243	18.9
105.07028	5.4
107.08562	4.3
109.10156	4.5
111.04471	2.8
121.06503	2.3
121.10143	2.5
137.05974	3.1
142.37154	2.0
147.11751	2.7
149.02338	19.6
150.02679	9.5
152.14241	2.6
153.91357	2.0
156.13795	16.0
156.78777	2.1
164.43405	2.2
173.09671	3.4
182.15436	13.0
183.15715	3.7
184.13304	10.5
193.04935	22.7
194.05298	21.7
199.18205	2.7
210.14964	5.3
231.08023	3.1
247.07549	2.8
275.43283	2.1
276.07874	2.7
291.10123	3.6
293.08395	2.6
309.21640	3.4
310.21750	2.1
323.12723	3.5
337.04181	2.4
337.10706	2.4
351.12320	4.0
355.05667	3.4
360.05450	3.7
382.30847	2.8
383.08942	100.0
383.14749	11.3
383.22940	3.7
383.31345	5.0
384.09158	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	382.9985
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	8.6
70.19559	1.7
71.95254	1.2
72.14185	0.4
82.28230	0.5
98.97580	55.5
116.98617	60.8
134.99654	46.3
140.00233	1.0
153.00696	8.4
158.01244	2.3
177.00960	1.1
179.28175	0.4
192.98761	0.5
201.72580	0.4
216.98967	0.8
219.02032	1.9
220.02159	0.6
234.99887	2.8
236.00182	0.7
240.98645	5.3
253.01022	0.6
258.99786	43.9
259.99976	2.7
261.03058	1.4
263.02948	1.3
275.98019	0.5
277.00824	100.0
278.01077	5.7
279.01025	0.9
282.01349	1.8
282.99976	7.5
283.99997	2.4
284.99774	0.7
295.01736	2.1
300.02304	3.3
301.01028	19.5
302.01102	6.0
303.00888	2.3
316.98743	0.9
319.02057	1.8
359.01462	4.4
377.02643	2.4
401.00989	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	382.1858
Annotation	Petasitenine
Peak:m/z	Relative Intensity
53.03938	0.4
55.05495	0.4
56.05022	0.4
57.03435	0.6
67.04245	0.4
67.05508	0.4
68.99788	0.4
69.42348	1.2
69.42760	1.9
70.06576	1.6
70.76698	0.3
71.83836	0.3
72.08163	0.6
79.05483	0.8
80.05013	0.4
81.07027	0.8
82.06575	22.1
84.04500	0.8
84.08119	0.6
85.02895	0.5
86.09704	0.6
87.00833	0.4
91.05489	1.3
93.07015	0.5
94.04162	0.5
98.21501	0.4
100.07611	100.0
101.07947	0.6
103.05445	1.9
107.04955	0.5
110.07208	0.7
117.06997	0.7
117.92838	0.4
119.04939	1.0
120.08086	0.4
121.06538	0.4
122.03622	1.4
124.07533	0.4
131.04921	6.5
135.11629	0.4
136.07556	0.6
137.05969	15.3
142.08656	1.8
143.03407	1.6
145.06430	0.6
149.05960	0.4
160.09685	32.8
161.04587	0.3
161.05988	0.6
163.07515	3.8
164.06992	0.5
180.13872	1.7
184.13405	0.4
198.14888	3.1
198.38535	0.3
206.11800	1.2
244.17169	0.3
262.04376	0.5
298.23044	0.4
303.04947	0.5
320.18610	3.2
338.19659	1.2
364.21185	2.1
377.01862	1.1
382.18628	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	382.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50142	0.5
55.05504	1.3
55.56755	0.5
63.22179	0.5
69.07067	0.8
70.06585	0.9
70.21941	2.1
79.05481	1.2
81.07076	1.4
85.02906	0.7
91.05481	1.6
93.07055	0.8
95.04958	0.5
95.08612	0.9
98.21437	0.5
100.07623	0.9
103.05443	0.7
105.07027	1.4
109.06548	0.6
117.07021	0.6
117.13980	0.5
129.07001	1.1
131.04938	0.9
131.08568	0.5
137.05977	2.2
143.08510	0.6
145.06509	1.1
147.04370	0.6
148.05202	0.7
149.05977	2.2
157.06554	0.6
160.07591	1.2
161.05991	1.6
162.05537	2.7
163.07489	0.7
164.07065	11.3
173.05956	1.2
173.09668	0.6
175.07576	1.4
176.07065	1.4
177.07851	28.5
178.08679	1.4
180.06552	0.9
185.15280	0.9
190.08609	1.6
201.09111	0.5
220.16931	0.6
274.18005	5.9
300.16168	0.7
302.17477	9.4
303.04901	0.7
304.15741	0.7
311.05481	0.7
320.18555	100.0
321.18939	3.1
364.21152	23.4
365.21704	1.2
377.01440	0.6
382.22110	9.8
382.26105	1.2
383.11108	0.7
395.02679	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.113
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25596	0.3
57.03433	0.6
67.29547	0.3
69.03431	0.4
69.47287	3.1
70.06570	0.6
72.08160	0.6
77.05166	0.3
79.05483	1.7
81.03467	0.4
85.02883	1.1
86.09715	0.4
87.00816	1.2
88.03986	0.8
88.07635	2.9
89.03912	8.6
95.04982	0.4
96.98177	0.3
98.06036	1.2
103.03947	5.5
105.01842	0.4
107.04947	2.9
109.02835	0.4
110.22220	0.3
114.05542	0.8
116.07103	3.3
117.03376	11.1
118.62418	0.3
123.04491	0.4
131.58112	0.4
134.08128	11.8
135.04414	21.7
136.04712	0.4
145.02850	16.4
155.14095	0.4
160.06059	0.8
163.03903	100.0
164.04230	1.8
177.05489	1.4
189.03923	0.6
202.07114	1.9
220.08153	36.8
262.04373	0.5
278.10248	5.7
296.11261	1.9
307.84766	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37381	5.8
58.23275	5.4
59.08100	5.6
67.05495	7.7
67.95090	5.7
69.64320	6.1
69.73822	5.4
70.06644	6.2
71.62927	5.9
75.37986	6.5
85.02905	8.0
86.09737	6.8
89.03928	14.3
90.05551	40.0
94.60452	6.2
103.03954	8.3
107.04977	9.6
117.03380	12.0
124.07680	7.0
133.94191	6.5
134.08134	19.2
135.04396	28.0
141.36540	5.8
145.02867	18.4
146.94411	5.7
163.03902	100.0
202.10770	15.3
220.08148	39.8
220.11803	47.8
278.10162	10.2
281.83975	5.9
370.83066	6.9
383.09436	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	382.0323
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	1.5
64.83957	0.8
70.31022	3.7
81.76302	0.7
83.30236	0.7
91.05810	1.2
98.97568	5.3
108.81368	0.8
112.26419	0.7
116.98618	9.0
119.01900	1.4
122.50509	0.7
129.20920	0.8
134.99669	8.8
137.02956	2.1
144.25348	0.8
153.00763	1.8
170.99350	0.8
177.00964	10.4
178.01062	2.9
179.00674	1.9
179.08798	0.7
192.98947	0.9
211.00023	1.3
216.98787	1.5
218.03702	2.4
219.01990	21.4
220.02132	3.3
221.01927	1.2
222.97876	0.9
234.99992	13.4
236.00142	2.3
236.99741	1.2
240.98965	2.5
244.54253	0.8
249.98447	1.1
253.01103	5.8
258.03098	8.5
258.99994	23.7
259.02826	1.6
260.00214	2.6
261.00140	1.8
261.03076	10.7
262.03180	8.0
263.02872	2.2
264.98956	1.7
276.04224	7.3
277.00980	45.3
278.01187	4.9
279.01187	2.6
282.99969	40.8
284.00070	4.9
284.99908	2.4
291.99707	2.0
295.02206	1.2
300.02551	2.5
301.01047	100.0
302.01172	10.9
303.01031	4.8
316.99548	0.8
319.02051	9.3
320.02203	1.5
324.02734	5.7
340.02066	6.4
341.02399	0.9
358.03171	14.9
359.01666	4.8
359.13754	1.1
376.04382	3.5
377.02600	2.2
381.04895	1.5
382.03165	8.7
382.99850	1.0
400.04355	8.0
401.01038	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	381.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
55.01858	2.3
55.05518	15.1
57.03436	4.6
57.07074	3.4
65.03953	4.1
67.05505	96.3
69.07069	16.2
71.04977	3.2
72.08140	2.7
79.05496	40.9
81.07058	100.0
82.07362	2.2
83.08618	6.2
83.86302	2.1
91.05489	21.5
93.07053	49.8
95.04953	5.2
95.08606	81.3
97.06532	3.2
97.10189	6.5
105.07027	15.5
107.08603	33.8
109.06517	2.3
109.10155	39.4
117.07025	8.5
119.08592	14.2
121.10146	28.4
123.11715	21.2
131.08540	17.9
133.10152	12.7
135.11691	22.2
137.13258	9.7
145.10121	13.9
147.11700	8.8
149.13255	14.8
159.11707	10.6
161.13301	4.5
163.14859	9.5
173.13272	7.1
175.14787	3.6
187.14848	7.3
189.16374	2.7
201.16327	4.6
203.17960	2.4
261.25629	4.1
271.24344	6.7
289.25256	74.7
290.25742	4.1
307.26282	4.0
331.98505	2.1
345.16531	2.3
352.76413	2.3
363.29138	6.0
381.25540	2.8
381.29892	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	381.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.5
55.01871	38.5
55.05511	32.7
56.96560	6.4
57.03436	44.7
61.02916	7.1
65.03923	6.4
67.05177	6.3
67.05504	90.1
67.20277	3.6
69.03410	11.8
69.07066	29.4
71.04971	7.7
71.58295	6.1
79.05064	6.7
79.05491	91.6
80.06252	5.5
81.03407	18.4
81.07054	81.9
83.01331	5.3
83.04979	38.4
83.08604	12.1
85.02898	10.4
85.06535	9.9
91.05473	97.9
93.07040	56.8
95.04974	71.2
95.08608	50.0
97.02894	16.0
97.06498	13.9
98.97601	5.3
103.05428	8.4
105.03343	4.4
105.07036	72.1
107.04949	100.0
107.08574	32.2
109.06508	43.2
109.10168	20.8
111.04430	12.4
111.08058	6.6
111.11693	4.3
112.05216	6.1
113.06014	6.8
115.05420	9.5
117.07030	41.4
117.35304	4.0
119.04931	9.5
119.08575	45.8
120.05720	3.7
121.06497	24.2
121.10132	21.0
122.07272	14.2
123.04419	11.8
123.08063	15.3
125.06005	6.2
128.06192	8.6
129.05472	8.9
129.06978	22.5
131.04912	12.9
131.08566	42.2
133.06447	32.5
133.10115	25.2
134.99684	4.5
135.04396	5.7
135.08055	27.4
135.11668	13.2
136.08887	3.7
137.05907	7.0
137.09592	10.5
141.06990	9.5
142.07730	6.2
143.08559	12.9
145.06485	25.2
145.10115	30.9
147.08055	24.7
147.11668	9.4
149.01204	8.8
149.02353	4.0
149.09587	11.4
149.13246	5.1
151.07506	6.5
151.11169	4.4
155.08521	9.6
157.10114	14.9
159.08015	13.2
159.11649	14.7
161.09604	20.5
161.13309	7.2
163.11177	7.9
165.09041	6.7
169.10112	7.4
171.11679	11.0
173.09651	6.5
173.13264	10.7
175.11154	5.7
177.00568	4.7
177.09225	5.7
183.11617	4.8
185.13213	4.1
187.11186	5.2
187.14790	11.4
197.09491	5.3
197.13242	9.6
205.15871	5.8
215.14313	12.6
217.15846	5.4
233.15334	54.4
234.15726	4.0
243.13858	4.3
249.16731	4.8
261.14880	9.9
265.07355	4.6
273.18527	11.2
275.97952	3.9
277.10190	11.8
283.08292	4.6
290.18710	9.7
300.56415	4.7
307.19101	26.0
335.18558	50.8
358.12845	14.3
381.09085	6.2
381.13467	9.4
381.22406	18.8
381.27011	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	381.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
55.30135	0.6
56.50241	0.6
70.06594	0.8
71.57686	1.4
72.73277	0.7
73.76178	0.6
74.54020	0.7
79.05476	0.8
81.07036	1.0
84.08125	1.3
85.02898	1.6
89.99181	0.6
91.05458	0.8
92.03271	0.7
93.56174	0.7
95.04974	0.8
99.67892	0.6
105.07048	0.8
109.06509	0.6
126.15329	0.8
169.20438	0.7
185.04277	1.4
189.09134	0.9
213.97749	0.7
218.09120	1.4
219.10027	1.3
260.19031	0.7
324.44049	0.7
381.15189	100.0
382.15237	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	381.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.8
51.68444	0.7
53.03934	0.9
55.01868	1.0
59.16105	0.6
65.03924	1.5
67.05495	2.0
69.03402	0.8
69.07037	1.3
69.72620	3.4
69.73038	1.7
71.05009	0.7
79.05498	3.8
81.03434	1.4
81.07056	3.0
83.04984	1.3
84.08140	1.2
85.02882	1.6
85.06565	1.0
91.05476	8.3
93.07030	2.6
94.04176	3.1
95.04971	5.0
95.08598	2.2
97.06499	0.9
103.05460	4.4
103.60869	0.7
104.06242	1.4
105.03386	1.2
105.07033	4.1
107.04967	3.4
109.06524	1.9
109.10149	0.9
111.04472	0.7
115.05463	5.2
116.06259	0.8
117.07014	2.6
119.04951	2.0
119.08567	2.0
121.06500	2.2
121.10152	1.4
122.03658	10.0
123.04414	5.6
123.08108	0.8
128.06242	1.5
129.07004	1.9
131.04915	4.5
131.08554	2.0
132.05705	5.5
133.06485	1.5
133.10124	1.5
135.04414	22.3
136.05254	0.7
136.06145	3.8
137.05974	100.0
138.06305	2.3
141.06987	3.2
143.08595	1.6
144.05672	1.6
145.06477	2.4
146.07263	1.1
147.08078	1.9
149.06003	2.2
151.03958	0.7
151.07564	5.4
152.06209	1.0
152.14497	0.8
153.01854	4.1
153.06998	1.9
154.07797	1.0
155.08554	2.2
157.06512	1.5
158.07272	1.8
159.08052	1.5
159.11700	1.7
160.05206	4.1
161.05971	3.0
163.07504	2.6
165.06908	1.2
167.08592	1.0
168.05653	1.2
169.06476	2.1
169.10071	1.1
171.07991	2.4
173.09602	2.2
174.06773	2.0
175.07550	64.6
176.07965	1.4
177.09137	1.0
179.08559	1.2
181.06464	2.0
181.10204	0.8
182.07193	2.4
183.08058	2.8
184.08804	2.3
185.09641	2.3
186.06711	0.8
187.07552	5.0
187.11192	1.5
189.09106	17.0
191.06993	1.1
195.07983	3.6
196.08929	4.9
197.05997	1.7
197.09636	1.3
198.06781	1.3
199.07581	5.0
199.11171	2.3
200.08231	1.5
201.09099	10.9
203.08649	1.0
208.08859	1.6
211.07573	3.1
212.08333	8.7
213.09102	10.8
214.09798	3.8
215.10655	3.7
224.08253	1.1
225.09096	6.4
226.09825	1.3
227.07185	0.8
227.10655	18.4
229.08107	0.7
229.12218	2.1
231.10172	2.1
235.07422	0.8
239.10658	12.5
240.11496	2.4
241.12213	1.8
243.10077	1.0
245.11792	1.5
249.09032	1.0
252.19064	0.7
255.06639	1.1
257.09201	1.2
257.11761	20.0
258.12494	1.1
259.07706	0.9
264.11407	0.9
265.08615	1.3
270.62042	0.7
277.12286	1.1
288.11603	1.1
289.08707	0.8
289.12335	0.9
297.11230	1.4
299.10687	0.8
302.17642	2.1
303.13779	2.5
305.11819	0.9
309.11078	1.9
320.18506	1.4
321.14923	2.9
331.13348	3.6
332.14151	1.3
349.14410	5.0
363.16000	4.8
381.09561	3.5
381.16919	4.8
381.23288	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.8
56.91201	1.8
69.03389	2.1
69.68968	5.4
69.69383	7.9
71.76591	2.0
79.05456	2.3
82.66357	1.6
87.70601	1.8
95.08587	2.8
121.10172	1.9
143.08641	1.8
210.00093	2.1
228.01138	2.3
295.04462	4.2
299.03952	2.9
311.03775	2.4
313.05606	4.4
314.06241	6.6
317.05035	3.8
324.04858	4.5
327.03470	3.8
332.07388	2.9
339.07147	5.7
341.05051	11.7
342.05829	55.6
343.06546	9.4
345.04428	2.8
357.08127	51.2
358.08377	3.7
359.06146	13.0
360.06873	85.0
361.07327	7.6
365.07291	5.3
366.06116	4.8
375.09348	9.3
380.09686	3.1
381.08139	91.9
382.08566	9.6
383.08560	3.9
384.06827	8.1
399.09238	100.0
400.02585	2.0
400.09558	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	381.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	13.7
57.03434	1.8
69.03420	3.5
71.57616	3.2
73.02908	2.0
77.37342	1.6
81.03421	2.7
85.02884	4.8
97.02859	2.8
98.97581	33.7
100.07599	4.4
101.00886	2.8
110.97610	3.2
115.00696	3.0
115.02426	5.3
116.98614	17.4
119.01904	5.2
128.98611	5.0
129.02234	2.3
131.00186	3.0
131.01904	7.9
133.01750	4.4
133.03468	27.4
134.99651	7.9
143.00188	2.3
143.01904	4.4
143.39207	2.0
145.03450	6.8
146.99669	4.5
147.03253	3.9
147.05019	5.5
149.01183	2.9
151.04524	5.1
153.01830	2.0
155.01904	6.7
156.02673	2.3
157.03488	5.5
158.99681	7.0
159.03258	3.3
159.05061	11.4
161.02953	7.9
163.02849	2.5
171.03316	2.7
171.05017	7.9
173.01500	2.4
173.02948	11.1
175.04506	5.5
177.00679	6.8
177.04379	16.1
177.06073	5.7
181.03650	2.1
183.05063	6.6
185.03104	2.1
189.04332	5.9
189.06007	3.2
191.02269	2.3
195.05400	6.8
195.07059	3.9
197.02974	5.8
201.04353	10.7
201.06071	3.3
203.03986	4.8
211.04393	2.6
219.01782	10.1
219.05359	7.1
219.07181	21.9
221.05046	18.0
225.06145	2.8
231.07146	20.0
233.08685	6.4
237.02838	17.9
245.05061	20.5
255.04099	3.5
255.07167	8.1
259.06503	1.9
261.08340	2.7
273.08127	10.6
295.06979	2.9
321.10510	100.0
322.10196	4.9
339.09323	18.9
339.18915	1.9
345.13016	1.7
381.11435	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0278
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	28.9
58.96145	0.7
59.15564	0.6
60.25526	0.6
60.78366	0.7
71.95274	3.5
73.35731	0.6
77.78632	0.7
81.07064	0.8
84.03209	0.6
95.08585	1.1
98.20609	1.2
98.97584	41.8
106.80074	0.6
107.63358	0.7
116.98618	67.0
126.78790	0.6
131.08543	0.9
134.99657	100.0
140.00172	3.7
149.01125	0.7
152.99464	1.4
153.00713	28.6
158.01273	10.5
159.11623	1.0
176.02309	2.5
229.22871	0.7
252.98616	0.7
283.02786	0.7
313.03909	0.8
327.01831	3.5
329.03271	3.3
339.01828	2.3
343.04965	1.3
345.02835	8.5
357.02792	5.8
363.03769	1.5
381.02811	70.6
381.31680	2.2
382.03299	2.1
399.03882	54.4
400.03928	2.0
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
56.00098	5.8
69.59528	43.5
71.21239	5.6
78.17599	5.4
81.76384	6.3
100.75162	5.8
108.77191	5.5
131.01941	11.8
133.03445	14.4
155.01923	6.8
171.05037	8.7
173.03032	7.2
219.07137	16.3
231.07121	12.3
245.05188	10.6
321.10358	92.8
381.07986	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
59.94333	5.8
70.21558	5.2
71.27716	8.6
71.28050	7.2
98.20868	6.6
109.63532	5.9
113.72877	6.8
136.78139	6.9
137.68053	5.8
231.07211	10.2
289.43774	6.4
290.35101	6.2
318.72034	5.8
321.10342	59.1
348.85803	6.5
381.07913	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40573	2.8
55.01873	5.7
55.05504	5.2
56.91675	2.8
60.04516	9.1
65.87144	2.8
67.05501	6.8
69.03420	5.3
70.06580	11.6
71.04954	3.7
71.05278	6.6
72.08176	3.6
79.05475	3.9
81.03397	4.2
81.07037	3.9
82.06557	3.9
83.04967	3.5
83.60821	2.7
84.08128	2.6
85.02911	10.2
86.09682	5.6
88.82156	2.7
91.05482	5.0
93.07005	5.3
93.23673	2.7
95.04964	8.6
95.08620	3.1
97.02893	4.1
103.05445	3.8
105.07039	3.6
107.05002	4.2
109.10170	4.1
110.07137	3.0
111.04453	21.2
113.02370	6.6
119.08569	6.0
123.04429	100.0
123.08028	3.4
132.10176	3.1
137.06010	4.2
141.05489	3.0
147.04387	4.0
147.08064	10.6
165.09109	37.2
172.05983	5.4
179.03558	2.9
183.10167	82.8
183.11795	4.3
221.05585	9.3
248.09183	7.1
261.03894	8.1
263.08478	7.2
380.10263	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	380.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.2
55.01865	6.2
55.05515	5.8
60.04506	8.0
60.16621	4.2
60.28636	4.0
67.05502	9.1
67.35211	4.2
69.03439	6.0
69.07090	4.4
70.06580	7.8
70.84137	9.7
70.84522	5.3
79.05500	8.9
81.03429	6.7
81.07052	6.2
82.06593	4.2
85.02909	11.6
86.09713	15.5
91.05484	10.8
93.07035	4.2
94.06640	4.2
95.04960	13.9
97.02906	5.9
99.04462	4.0
103.05449	7.2
105.07050	5.5
109.02859	5.4
111.04437	17.8
113.02331	5.6
119.08569	7.8
121.06474	5.8
122.06023	5.0
123.04422	100.0
126.05550	8.6
132.10228	5.1
136.07573	5.5
141.05447	9.1
147.04437	10.8
147.08038	6.9
161.05920	4.3
163.03917	5.6
165.09120	38.3
172.06125	11.3
183.10184	69.2
197.28461	3.9
203.79567	4.2
210.12451	3.8
221.05611	15.0
233.04503	10.5
248.09352	4.4
261.03970	64.7
337.10501	5.7
380.09988	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	380.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80780	1.8
54.98157	2.0
55.01868	2.8
60.04498	4.1
60.18664	1.7
65.03932	6.7
65.38355	1.9
67.01861	2.3
67.05495	3.0
68.05034	1.7
68.34093	1.7
68.99781	4.9
69.51609	12.6
70.06578	2.1
72.04498	2.3
74.06052	6.8
79.01847	2.0
79.05477	2.5
81.03413	3.9
81.07028	2.1
82.06577	4.7
84.04498	1.9
86.09717	2.1
91.05444	3.1
93.03402	3.7
94.06574	3.2
95.04959	4.1
96.04491	4.1
96.08106	2.0
97.02887	3.2
100.03970	2.6
105.03355	2.5
107.04942	6.3
109.02853	7.8
110.06046	11.6
111.04444	7.8
112.03953	3.4
113.07822	2.1
117.34092	1.8
119.04916	3.7
120.04542	2.0
120.08095	5.3
121.02875	11.1
122.06017	10.7
123.04423	8.3
124.03950	12.7
124.07539	2.6
125.02362	3.6
126.05534	3.8
127.03880	10.2
128.07068	10.9
133.02831	4.8
134.06056	2.5
135.04362	6.2
136.07562	3.9
137.02385	2.7
137.05975	2.9
138.05486	14.6
139.02826	1.9
139.03888	39.7
140.03406	2.0
140.07010	2.9
145.06432	2.3
146.06042	2.3
147.04384	4.7
148.03906	7.4
149.02338	22.9
150.05524	11.6
151.03883	7.3
152.03415	6.5
152.07121	2.2
153.01828	100.0
153.05368	2.4
154.02179	2.5
154.04994	11.3
156.02881	2.6
162.05522	9.7
163.03920	11.9
164.07060	7.4
165.01932	2.4
165.05414	2.3
166.04979	15.7
166.85445	2.3
167.03400	14.0
168.06531	23.1
169.01285	5.4
169.04909	2.4
170.04498	7.3
171.02919	2.6
173.05919	2.4
175.03969	3.1
176.03407	2.6
177.01810	2.9
178.04974	25.1
179.03381	11.8
180.06532	5.0
181.01328	2.5
186.07620	3.4
187.03960	2.4
188.09117	5.3
190.05032	6.7
191.03398	7.5
192.06511	3.4
193.04933	3.9
194.04482	46.2
195.02899	60.2
195.04663	2.1
196.03192	2.1
196.06013	8.1
199.03979	2.8
200.07111	2.2
201.05417	5.7
203.03369	3.8
205.04948	3.7
208.06070	5.8
209.04431	4.2
210.07597	5.1
212.05499	9.0
213.05507	3.6
215.06853	2.2
217.04964	4.7
219.02856	5.1
219.57382	2.0
225.05334	2.4
229.04898	8.3
230.32271	2.5
233.04523	3.4
242.86464	2.0
243.06560	2.2
245.04395	2.3
246.07474	2.3
247.06049	5.1
253.04964	3.9
257.04404	3.7
261.03870	3.3
270.07697	2.2
271.05835	4.1
275.05475	10.9
281.04510	3.3
285.03897	3.7
288.08456	3.4
298.07034	3.1
299.05536	7.5
300.08496	2.2
301.07355	2.5
302.06702	2.6
303.04913	5.8
316.08255	9.0
317.06546	5.1
326.06677	3.1
327.04861	3.5
328.97198	2.7
344.07538	21.0
345.02167	3.1
345.05994	9.0
346.98495	3.4
351.98685	2.8
356.96893	5.7
362.08539	11.1
374.98059	4.3
380.09756	9.4
380.16882	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	378.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.5
55.05491	2.5
56.05016	2.6
61.01142	2.8
65.03936	1.1
67.05482	3.8
69.03419	10.5
71.41579	1.0
71.58773	1.8
79.05510	6.4
81.07040	4.2
83.04946	3.0
89.25256	1.1
91.05479	10.7
93.07046	8.8
95.04971	5.6
100.11237	1.1
105.07033	6.9
107.08563	4.1
109.02880	8.8
109.06509	3.8
109.10084	1.3
115.05435	2.0
117.06995	4.0
119.04922	1.2
119.08562	10.3
121.06492	11.5
128.06163	3.0
129.06989	4.9
131.08563	13.4
133.03172	3.3
133.10098	3.5
135.08055	3.8
137.05965	2.5
141.06998	2.6
142.07788	3.1
143.08554	8.5
144.09340	7.8
145.06445	6.4
145.10141	6.8
147.08018	2.6
149.09601	4.7
153.06970	2.1
155.08536	4.8
157.06477	1.3
157.10109	3.2
158.07233	2.1
158.10919	7.8
159.08034	10.4
159.11691	21.9
161.09637	2.5
168.09335	4.7
169.10101	1.7
171.08032	8.8
172.08809	15.8
173.06015	1.9
173.09628	12.1
173.13257	12.2
175.07507	3.4
181.06483	1.9
183.11728	7.5
185.09645	2.3
186.10397	36.8
187.07585	1.9
187.11166	41.3
189.09050	1.4
196.08739	6.7
197.05920	1.3
199.07501	2.4
200.10629	1.5
201.12726	47.0
203.06946	1.7
211.11165	11.1
214.09921	3.2
229.12212	65.4
230.12517	2.2
262.17200	1.1
275.09262	1.6
284.16470	8.4
290.80737	1.2
330.16885	6.3
360.16339	1.6
378.17316	100.0
379.17590	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	378.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51560	2.4
69.03426	9.1
70.97306	4.5
70.97668	5.7
72.08152	3.1
81.03410	3.6
85.02912	21.8
91.05547	2.5
97.02896	8.8
98.97591	3.4
100.07620	4.2
109.02893	3.8
137.05981	100.0
137.07062	5.0
139.03899	6.1
145.04916	4.1
147.04428	5.2
163.03960	3.1
173.13847	2.8
179.08292	3.6
181.04965	5.2
181.08609	9.8
198.14967	3.5
216.10597	6.4
216.15973	5.2
335.52890	3.1
378.17392	3.4
379.15945	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	379.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26822	1.4
67.93301	1.6
69.09686	1.7
70.71063	2.0
70.71427	4.9
74.20609	1.7
76.91468	1.4
91.05489	8.8
119.01932	2.9
133.06514	1.6
271.04242	3.8
293.09866	6.9
311.09753	2.1
317.10007	2.3
335.10956	38.2
336.11276	1.8
379.09970	100.0
380.10400	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	379.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.3
57.07074	35.6
69.07078	1.6
69.39372	4.5
69.39792	3.6
71.08630	33.8
73.06558	4.1
78.91153	0.8
83.08650	3.8
85.10178	27.9
87.04466	2.7
89.06029	100.0
89.33511	0.8
90.59058	0.7
97.10165	1.0
99.11703	2.5
107.07079	6.4
113.00011	1.3
117.09132	1.9
130.08607	2.5
133.08600	38.6
141.16405	2.6
151.09625	2.3
169.02678	0.9
177.11200	4.6
185.19051	1.2
195.12277	2.5
202.80341	0.7
229.21655	1.4
239.14882	7.1
347.25818	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20028	1.6
50.47464	1.4
55.05510	2.7
57.07076	90.5
69.07050	6.0
69.39189	5.5
69.39614	10.2
71.08632	77.4
73.06556	2.4
73.33078	1.5
83.08614	2.8
85.10182	46.8
88.86016	1.5
89.06030	100.0
97.10142	3.0
99.11726	6.1
107.07060	10.0
113.13277	4.8
127.14868	3.6
130.08630	2.6
133.07635	3.2
133.08597	41.1
144.26311	1.6
151.09613	8.1
158.36584	1.6
158.87737	1.4
175.35294	2.0
177.11249	9.6
195.12292	32.2
276.84357	1.9
290.83960	1.5
350.87219	1.4
377.32346	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	378.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22039	2.0
56.96566	39.9
58.99139	2.0
67.04819	2.0
70.38285	8.4
84.96024	14.4
86.09681	5.6
98.21458	2.4
98.97583	89.7
110.97562	15.5
116.97820	4.0
116.98621	55.2
116.99445	3.3
119.01930	3.9
128.98595	31.1
131.00131	3.4
134.99655	25.6
140.98552	4.1
143.00145	9.3
144.98056	3.7
146.99641	22.9
149.01222	2.9
152.98608	10.0
158.99681	13.4
160.06413	2.3
161.01190	17.1
161.52013	3.4
162.99161	4.9
165.00682	4.9
170.99663	20.9
173.02780	2.9
177.00740	17.7
179.02286	3.5
187.88287	2.2
189.00717	8.9
195.01787	3.8
201.00844	2.4
208.04860	2.0
217.05388	2.4
219.01717	24.0
224.08023	2.3
224.83508	2.4
237.02806	57.7
247.04813	4.5
255.03888	7.1
260.04587	2.9
265.05969	100.0
274.09772	1.9
283.07019	33.6
288.07495	5.4
312.12802	3.5
312.63083	2.1
321.13309	3.1
330.13748	5.7
330.64127	3.4
331.13959	2.5
378.14337	68.0
396.15466	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	377.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	23.6
66.77913	8.4
67.05487	30.5
69.03426	16.7
69.07056	34.7
69.92593	21.1
69.93010	23.5
70.06577	28.7
71.04973	20.6
73.06504	8.0
79.05480	27.1
81.07059	100.0
83.04974	20.0
83.08626	11.7
84.08142	11.9
85.02888	18.4
85.06525	12.9
87.04417	8.2
91.05473	35.9
93.07037	43.7
95.04980	15.8
95.08591	38.3
97.02907	9.4
97.06552	8.7
99.08057	13.3
99.52487	9.1
100.11240	24.3
105.07032	38.4
107.04972	13.6
107.08595	31.1
109.06500	21.4
109.10164	29.7
109.63000	9.2
111.08144	8.0
119.08560	33.4
121.06489	10.4
121.10142	26.8
123.11694	20.2
124.38334	8.1
125.09685	7.8
130.06522	12.2
131.04913	13.5
131.08595	8.9
133.10110	16.6
135.11656	14.1
137.06029	14.1
137.09612	10.3
145.10120	18.3
147.04498	8.9
147.11658	14.6
159.11687	13.9
161.13274	11.3
171.11639	10.8
173.09552	9.3
179.08156	9.5
189.16318	10.0
197.19077	15.3
213.12276	8.7
215.10277	45.0
215.18155	8.4
228.79161	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	377.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06889	6.3
55.05506	15.6
63.01898	5.4
67.05485	18.2
69.03435	8.3
69.07069	32.4
70.06577	15.5
70.10142	30.4
70.10494	9.5
72.11717	6.0
73.38074	5.6
79.05494	23.6
81.03439	6.4
81.07056	50.8
83.04960	6.9
83.08614	6.5
85.02910	8.2
85.06543	100.0
91.05463	28.8
93.07033	53.6
95.04952	13.5
95.08588	39.4
97.02897	8.8
98.31306	5.7
99.69073	6.4
100.11246	10.3
105.07024	36.1
107.08594	33.9
109.10153	23.6
111.08068	8.0
117.07040	7.7
119.08549	17.9
121.10157	23.0
123.11660	13.9
123.68276	6.8
131.08572	12.3
133.10136	24.5
135.11674	8.7
137.06006	7.6
139.03882	6.9
139.15019	6.2
145.10130	12.1
147.11717	16.0
149.09653	8.4
149.13240	6.8
151.07516	7.9
151.11192	14.4
159.11678	14.0
170.99815	5.8
171.11739	9.4
173.09644	7.3
175.14828	6.4
187.14784	11.3
213.16501	9.9
215.10315	36.3
231.17410	8.7
232.22345	5.8
249.18448	10.5
267.19604	12.3
274.57449	6.9
377.20108	11.2
377.24469	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	377.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
61.02910	3.0
69.03409	4.2
70.43696	2.1
71.80578	0.7
73.02892	1.4
78.03408	0.7
79.41753	0.7
79.42840	0.6
80.04981	1.2
81.03404	1.5
82.06592	0.8
83.54565	0.6
85.02896	10.4
87.04462	0.7
87.18163	0.7
92.04977	0.8
95.06071	1.8
96.10037	0.6
97.02882	3.7
98.21443	0.8
106.06577	0.9
109.02880	1.6
110.06027	4.5
121.07620	5.2
122.08350	1.3
123.05531	2.0
123.09186	2.0
124.06338	1.9
125.07124	3.9
127.03937	0.9
133.07614	10.5
137.07092	14.5
141.06569	0.7
145.04947	1.0
149.07144	3.9
151.08670	13.2
153.06606	2.2
161.07091	4.4
167.08157	1.2
174.70711	0.6
179.08162	15.8
197.09224	10.1
215.10263	100.0
216.10532	1.1
378.35306	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
55.05505	3.7
55.90640	0.9
56.05031	1.6
57.03435	6.3
57.07070	1.9
58.99578	5.6
61.01149	3.0
62.99070	1.7
67.05507	14.7
69.07059	3.7
71.04969	1.2
71.08622	4.5
71.58305	1.1
76.02228	17.9
77.00626	2.3
79.05490	2.0
79.91805	0.8
81.07057	3.9
83.08617	2.3
84.04505	37.1
85.02876	1.3
85.06544	1.2
86.99052	4.2
89.00619	10.1
91.05479	2.0
93.07047	1.2
95.04952	1.3
95.08589	1.3
97.02856	1.1
97.10148	3.9
99.08077	4.7
105.00085	6.8
107.08579	3.1
109.10146	10.7
117.07021	1.6
119.08546	1.1
122.02730	94.4
127.10286	1.9
127.11194	26.3
130.05003	8.4
137.05981	1.8
142.03220	8.0
159.08392	100.0
160.08737	3.4
168.80916	1.1
188.03789	8.5
202.12572	4.6
209.41016	1.0
230.12062	1.6
231.10521	2.8
234.04405	1.6
248.13133	29.3
251.06952	5.4
314.14270	1.8
333.13171	1.1
359.16010	1.0
360.14890	2.6
377.17444	6.6
377.25961	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
56.96565	3.5
57.03423	1.1
61.02925	4.0
62.88555	0.5
65.03931	0.8
68.04984	0.6
69.03429	4.9
69.97231	2.6
69.97642	0.9
73.02910	1.3
80.05006	1.4
81.03401	1.4
82.06577	2.2
85.02901	10.1
92.05008	1.4
95.06058	1.7
97.02901	4.3
98.21044	1.6
98.30945	0.6
98.97585	4.0
105.76664	0.5
109.02847	1.7
109.07612	0.9
110.06035	5.1
116.98582	1.3
119.01906	1.5
119.06047	1.4
121.07632	4.8
122.08390	1.1
123.05521	1.3
123.09188	2.8
124.06286	1.0
125.07122	3.8
127.03903	2.3
128.98573	0.8
131.01988	0.9
133.03571	0.6
133.07599	11.5
134.99591	1.2
135.04399	1.5
137.07088	17.6
141.06590	0.7
141.69833	0.6
145.03503	0.6
145.04973	1.2
149.07120	3.8
151.07489	1.2
151.08665	17.2
153.06587	1.8
161.01262	1.0
161.02924	1.3
161.07092	4.3
163.03926	2.7
167.08157	0.9
173.02884	0.7
177.00705	1.1
179.08156	18.7
189.00702	0.7
191.02206	1.0
197.09203	10.6
201.00700	0.8
215.10265	100.0
216.10493	0.9
219.01877	0.8
221.03087	0.9
221.05106	0.9
228.05835	0.7
237.02977	1.0
245.05096	1.0
259.06613	1.4
261.03003	0.6
275.02353	0.9
291.05493	0.8
335.08362	0.7
377.08386	1.7
377.19250	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92927	3.3
57.10829	3.4
64.96239	3.5
69.07034	8.1
85.10506	3.6
86.09703	100.0
89.54724	4.5
93.06995	4.0
98.21468	8.6
99.59480	3.6
112.07579	7.4
278.24796	8.4
376.32059	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	377.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53222	1.4
55.01854	3.3
55.05513	2.0
57.03421	1.8
57.73316	1.7
61.02918	6.3
61.30082	1.3
68.99787	5.7
69.03419	2.3
70.75501	4.8
70.75866	1.6
71.01331	1.7
79.05481	3.3
80.91951	1.7
81.03403	7.1
81.07048	2.4
85.02918	7.6
87.00809	6.5
91.05474	4.5
93.07073	1.5
97.02874	5.1
100.11257	2.5
103.05442	3.2
105.07021	6.0
107.04955	2.6
107.08600	2.0
109.06492	1.8
111.04448	1.8
115.05444	7.7
117.07008	5.6
119.08533	2.2
121.06496	3.1
128.06218	6.7
129.01819	5.1
129.06985	6.3
131.04918	5.9
131.08525	2.0
131.51765	1.5
133.06470	3.3
137.05974	4.5
141.07005	8.1
142.07744	2.3
143.04919	2.7
143.08537	4.6
144.05711	10.6
145.06464	7.0
145.10178	2.9
147.07970	2.3
148.05206	3.1
151.98181	1.6
152.06186	5.4
153.06972	6.8
155.04903	2.2
157.06441	5.7
157.10054	1.7
158.07256	12.8
159.08037	5.6
160.05180	3.2
161.05997	24.4
161.09578	2.9
162.06731	3.7
163.07523	2.9
165.06995	4.5
167.08495	10.7
168.05763	2.1
169.06487	8.9
170.07288	3.8
171.04402	3.7
171.08003	8.2
172.05165	4.4
173.09615	3.7
174.06787	6.3
175.07542	15.6
177.06947	1.9
177.09100	7.8
181.06471	3.7
183.08058	3.3
184.08881	2.3
185.05939	6.5
185.09607	5.0
186.06746	11.5
187.07565	30.5
188.04678	2.9
188.08099	1.7
189.05492	7.7
189.09143	8.4
190.06229	4.6
191.06931	9.6
192.08533	2.6
193.86769	1.8
195.08055	13.1
197.05902	6.4
198.06696	4.4
199.03831	6.3
199.07507	6.6
199.11249	1.6
200.04678	2.3
200.08261	1.9
201.09100	66.7
201.10974	3.7
202.09494	2.1
203.10651	6.7
211.07445	2.0
212.08331	6.2
213.09059	9.8
214.06279	9.4
215.07010	2.3
215.10429	6.0
217.04976	13.9
217.08470	2.2
223.07541	5.0
227.07082	3.6
227.10649	38.6
228.07883	1.8
229.08649	12.3
231.10164	8.6
232.07300	29.1
237.08960	1.8
245.11748	4.2
255.10155	27.3
273.11227	100.0
274.11432	5.1
291.12250	5.2
334.11179	4.1
377.11847	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	376.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70185	0.2
51.67661	0.2
52.92609	0.2
53.00336	0.2
55.71302	0.2
57.07076	44.1
58.07408	0.5
69.27971	2.7
75.30836	0.2
76.88531	0.2
84.08149	0.3
87.58729	0.3
87.79229	0.2
99.66390	0.2
102.09197	0.2
103.92737	0.2
108.04503	0.8
110.35878	0.2
124.08713	0.8
124.66218	0.3
125.07109	6.3
126.05518	4.7
127.03971	0.3
134.07191	0.5
135.05554	0.5
136.03949	0.3
184.70090	0.2
191.11832	1.0
192.10194	0.5
208.14424	2.6
209.12848	12.5
210.11261	1.2
210.13144	0.5
218.12880	4.7
219.11295	2.8
228.11363	0.4
260.15134	1.2
274.19131	0.6
275.17517	8.4
292.17664	0.2
292.20187	8.9
293.18509	7.5
302.18637	16.2
303.18979	0.4
312.77350	0.3
343.22443	0.6
358.24918	1.1
376.25934	100.0
377.26245	4.0
394.26996	6.5
395.02618	0.2
395.27307	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.05509	1.0
57.03452	0.6
61.02937	0.8
69.03422	2.5
71.32204	1.4
73.23547	0.5
74.26641	0.7
81.03409	2.1
85.02908	8.3
91.05481	3.9
94.04176	1.3
97.02894	2.4
103.65395	0.6
109.02840	1.0
118.25662	0.5
119.08594	3.6
122.03638	3.5
125.05994	1.6
125.24830	0.6
125.70393	0.5
127.03896	1.4
137.05974	100.0
138.06310	2.6
147.08040	8.6
147.09117	1.1
151.03874	1.4
151.73917	0.7
152.04253	1.3
175.07524	0.6
179.10664	14.5
203.07111	0.9
249.24586	0.6
287.12775	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79529	1.3
53.27142	1.1
55.05496	2.0
57.03424	3.4
61.02933	3.2
69.03427	9.0
69.07064	1.9
70.06565	2.2
70.75574	4.1
71.04978	2.6
73.02917	2.4
73.45633	1.5
74.06084	2.3
75.04471	1.8
81.03405	4.2
81.07058	2.4
82.06540	1.5
85.02897	12.8
91.05471	5.7
95.05000	1.4
97.02887	2.6
97.27877	1.2
99.04463	3.3
107.46259	1.4
119.08570	5.2
122.03616	2.1
127.03876	1.9
130.06480	2.1
137.05977	100.0
138.06317	2.3
141.02637	1.4
143.67842	1.4
145.04974	2.3
147.08060	10.3
172.08731	12.8
179.10680	19.5
193.12164	2.1
198.06621	3.2
200.08185	2.1
214.14427	4.2
215.10315	2.3
216.07677	5.1
229.09846	1.8
234.98990	1.8
239.75462	1.5
243.08798	33.2
248.16479	1.7
359.13489	3.0
376.23264	3.2
377.14563	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	15.5
55.05505	10.5
61.30230	8.6
64.68388	8.3
67.05500	21.9
69.03445	9.2
69.07091	14.2
70.06573	8.6
70.58356	26.7
76.28033	8.9
79.05482	23.8
81.03439	10.8
81.07046	30.0
84.75035	9.7
85.02924	9.8
85.06584	8.3
91.05476	19.4
93.07039	26.4
95.04960	8.7
95.08601	26.6
99.08096	16.6
105.07050	18.0
107.04930	16.6
107.08591	39.0
109.10175	20.1
119.08557	11.5
121.06481	12.4
121.10161	37.0
131.04926	12.1
133.06480	9.1
135.11739	13.3
137.05981	35.7
151.03937	18.4
157.07607	12.1
167.07060	44.3
177.16402	100.0
195.17499	18.7
213.18480	31.5
219.08046	10.1
251.50352	8.5
289.13498	8.3
301.14200	9.1
313.33054	9.1
324.56604	10.0
345.13223	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	375.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	14.7
67.05501	13.2
69.07061	11.6
69.35889	100.0
76.24120	8.8
79.05476	25.2
81.07046	37.0
82.59618	10.6
83.04988	10.3
91.05479	33.1
93.07036	35.3
94.12962	9.9
95.04964	22.8
95.08585	22.9
105.07000	56.9
107.08573	19.3
109.10146	14.9
119.08569	39.6
121.10163	38.5
129.83931	8.2
131.08548	20.5
133.10121	30.1
141.06998	12.9
142.07835	13.7
143.08556	12.3
145.10115	27.1
147.11670	17.4
157.10129	28.5
159.11687	15.0
169.10179	11.1
183.11696	12.2
192.09464	9.4
316.78271	9.8
375.27066	18.3
375.37021	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	376.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	1.1
57.03432	2.0
61.02920	3.2
69.03437	5.5
71.58375	1.0
73.02899	0.9
81.03415	2.9
81.07033	1.0
82.06560	1.1
85.02906	20.9
87.04453	1.0
91.03955	1.3
91.05437	1.2
97.02876	5.4
109.02877	1.6
117.06957	1.1
122.03655	1.4
127.03912	4.1
134.07834	1.0
137.05978	100.0
139.03822	0.9
145.04979	5.5
167.07014	1.0
179.07042	31.9
179.10585	1.9
191.07057	1.8
197.08066	4.2
208.09702	3.3
215.10284	1.5
217.67484	1.0
225.10130	1.0
235.84631	1.0
253.28845	1.1
303.05161	1.7
313.12079	1.0
373.54929	0.9
377.13354	1.1
377.17764	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	375.2375
Annotation	Manglieside C
Peak:m/z	Relative Intensity
53.00312	1.6
53.03934	5.1
55.01869	7.0
55.05514	20.9
57.03429	8.7
57.07057	5.1
59.04987	3.6
61.02924	13.3
67.05503	10.9
69.03076	2.6
69.03430	33.5
69.07065	47.7
69.83211	9.0
71.04998	9.7
73.02898	4.6
79.05487	7.4
81.03062	1.3
81.03420	15.0
81.07054	26.9
83.04985	10.0
83.08620	9.2
85.02903	87.0
85.06538	20.5
87.04476	8.9
91.03950	4.9
91.05462	4.1
93.07050	13.7
95.08604	40.2
97.02893	26.6
97.06496	4.8
97.10160	11.6
99.04448	4.4
99.08083	25.0
99.97195	1.6
103.05460	1.4
105.07021	2.5
107.08602	29.8
109.02892	9.4
109.06502	1.6
109.10149	21.6
111.08095	3.9
111.11720	9.7
113.09627	10.7
115.03926	1.6
116.09003	1.5
119.08601	1.7
121.10138	36.0
123.11713	11.1
124.17580	1.3
125.09618	6.4
125.13303	1.8
127.03909	17.3
127.11175	2.3
135.11681	18.5
137.05978	2.8
137.13249	22.1
139.11182	11.7
145.04985	12.3
149.13229	5.5
151.07574	1.5
151.14803	5.1
153.12778	13.4
167.07011	1.9
175.08675	2.0
177.16389	100.0
195.17464	38.4
213.18498	31.1
325.97607	1.9
375.23602	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	5.8
62.01612	3.4
67.05489	2.9
69.03419	7.5
69.07069	3.5
70.50169	8.8
70.50520	6.0
73.02912	21.6
77.12621	3.0
79.05493	10.0
80.58330	2.6
81.07061	5.9
83.80786	2.7
85.02882	5.6
85.49585	2.7
85.89671	3.0
91.05471	10.1
92.05820	6.0
93.07067	3.0
94.04165	3.3
95.04964	6.9
95.08588	3.6
96.09073	2.5
97.02878	4.4
103.05385	3.1
105.07058	4.0
106.04175	3.2
107.04956	24.8
109.06538	5.9
115.05434	4.5
119.04935	6.0
119.08619	3.7
121.06486	6.4
122.03631	7.2
122.48008	3.4
123.04437	12.8
124.04711	3.2
131.04930	5.8
133.06493	5.0
137.05978	100.0
138.13371	3.3
147.04384	7.5
149.05984	20.5
151.03931	4.2
151.07570	8.4
153.05429	8.7
153.06775	3.1
161.05975	22.6
163.03926	4.0
165.07025	4.3
167.07056	64.6
167.08432	3.9
171.08348	3.0
175.07574	6.0
177.05457	7.8
179.07077	7.5
181.04893	5.5
181.06490	5.9
191.07069	3.1
193.06575	4.0
194.07312	3.7
195.08084	6.5
203.07025	7.1
209.06020	3.8
211.07501	5.0
213.09204	6.2
214.14438	5.7
221.08090	3.7
222.06744	4.9
223.07620	5.8
225.05411	3.3
225.09160	4.9
235.07597	6.1
239.07040	5.7
241.08592	4.7
251.07094	5.4
253.08589	13.2
255.06635	2.9
255.10191	3.5
273.11212	15.4
283.09509	3.9
285.11285	8.0
297.11276	4.0
299.09061	11.0
300.10922	3.1
307.09723	4.1
311.09052	7.1
313.11002	3.7
315.12219	5.8
327.12256	3.2
329.10251	7.2
339.12421	4.2
375.14450	15.0
375.19028	6.8
393.83725	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01880	6.7
56.71252	1.4
61.13593	1.2
65.03938	6.3
67.05503	5.0
69.66473	8.2
69.66889	2.3
71.01350	5.8
72.35724	1.2
79.05495	10.9
81.03422	3.2
81.07037	1.8
85.02903	3.0
86.09678	1.6
91.05479	72.4
93.03326	1.4
93.07032	1.6
94.04157	2.6
95.04970	7.6
103.05489	7.1
104.20703	1.4
105.03387	16.8
105.07032	6.8
107.04958	10.7
108.02101	3.1
108.05760	2.7
109.02887	5.1
109.06511	14.7
111.04440	5.3
115.05447	3.2
118.04169	3.8
119.04942	100.0
121.06530	5.2
123.04443	4.0
123.08064	7.9
124.05209	8.6
125.06016	7.2
127.03873	1.5
129.07033	4.4
131.04955	5.8
133.02876	2.7
133.06471	6.9
135.04364	7.4
135.08049	4.5
136.05186	1.9
137.05975	23.6
139.03856	2.8
141.05466	3.8
146.03632	4.2
147.04402	24.7
147.08015	2.2
149.06000	3.3
150.06747	5.4
151.03914	92.8
151.05013	8.1
151.07539	64.6
152.04276	2.8
152.08160	1.5
153.05469	11.8
157.06384	2.3
159.08066	3.5
161.05989	11.6
162.03140	1.4
163.03926	3.8
163.07568	1.8
165.05566	6.6
165.06868	1.6
167.07072	4.3
175.07542	5.1
177.05493	6.4
178.06253	20.9
179.07022	27.6
180.07796	4.3
181.05003	1.7
187.07568	10.4
193.08678	1.8
195.06538	5.8
196.07317	11.3
203.07089	2.0
205.08644	5.5
215.07016	2.8
219.08168	1.8
223.09628	2.1
235.07613	2.0
247.07376	1.6
267.10052	1.7
279.10330	2.0
311.12711	2.2
327.12405	2.6
329.13782	2.8
357.13452	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	375.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
55.01865	9.5
55.45092	1.6
65.03932	6.1
67.05492	3.8
71.01340	5.7
71.11891	2.2
71.12231	3.6
76.35241	1.7
79.05488	9.4
81.03417	4.4
81.07065	2.5
83.79829	1.7
85.02886	2.6
91.04893	4.0
91.05475	78.7
95.04966	9.2
103.05476	6.5
105.03387	19.1
105.07018	6.3
107.04930	12.0
108.02081	2.8
108.05748	3.2
109.02901	4.2
109.06518	14.3
111.04458	6.7
115.05437	2.4
118.04161	5.4
119.04939	100.0
121.06511	5.9
123.04404	5.3
123.08055	6.6
124.05223	8.3
125.05971	6.1
129.07030	2.4
131.04926	5.0
133.06493	7.6
135.04460	8.5
135.08054	3.0
135.98817	1.7
137.05977	27.7
139.03877	2.0
141.05536	3.0
143.04974	2.2
147.04390	27.5
147.08080	2.3
149.05962	5.8
150.06781	4.2
151.03909	99.3
151.05002	8.2
151.07529	58.7
152.04297	2.7
153.05460	11.5
159.08064	2.5
161.05986	15.5
163.03937	3.4
163.07431	1.9
165.05482	7.9
167.07072	5.8
175.07520	7.2
177.05510	5.1
177.09163	1.7
178.06247	22.9
179.07031	27.7
180.07813	5.9
187.07550	8.0
195.06630	9.7
196.07306	12.3
203.07050	4.7
205.08606	6.8
215.06964	2.4
219.08098	1.9
279.10220	2.7
337.48532	2.0
339.12292	2.8
357.13556	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	375.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.4
56.96555	2.7
61.02922	10.9
62.47931	2.5
65.03961	4.6
67.05489	4.5
69.03419	4.8
71.04978	2.5
71.58433	2.9
79.05486	7.7
81.03426	15.6
81.07072	5.6
84.08136	3.0
85.02895	6.7
86.09716	3.3
88.80791	2.2
90.70052	2.7
91.03944	2.7
91.05491	20.2
93.07051	5.3
95.04980	10.6
97.02891	5.9
98.97587	4.8
103.05495	6.4
105.07035	5.8
107.04954	56.6
107.08602	2.6
108.02128	3.2
109.02927	3.4
109.06498	3.3
111.04449	3.5
115.05467	7.8
116.98678	4.7
117.07019	3.2
118.95428	3.4
119.04937	11.9
119.08553	3.7
121.02855	3.2
121.06485	14.0
122.03676	6.1
123.04436	9.0
125.06048	5.0
126.11916	2.7
127.03862	4.7
128.06239	6.1
128.98636	2.9
129.06995	14.0
131.04921	21.9
133.06502	7.9
135.04419	2.9
135.08054	3.6
137.05968	72.5
139.33186	3.1
141.05435	6.2
143.04913	5.3
144.05728	3.1
145.06516	15.6
147.08049	3.5
147.11684	3.3
148.05190	4.3
149.05966	5.2
151.03917	100.0
151.05008	6.3
153.05479	30.8
153.06683	3.6
157.06499	11.7
159.04416	7.0
160.05225	2.5
161.05980	14.5
163.07521	7.9
165.05476	3.3
166.07851	2.9
167.07025	13.0
167.08435	4.3
171.04416	4.7
174.06798	4.3
175.07565	11.5
177.00777	3.4
177.05501	4.2
178.07845	2.9
179.07054	6.7
179.08568	11.1
181.05038	4.7
181.06531	6.5
182.07268	6.3
187.07578	3.4
189.05481	3.3
189.07126	3.4
189.09114	10.0
191.07066	12.7
191.08531	3.0
194.07310	3.4
195.08133	6.3
197.09657	3.1
203.07031	29.8
205.08621	4.3
207.08109	8.8
210.06741	9.6
217.12219	2.7
219.08125	3.6
221.05940	4.5
221.08051	6.3
224.08281	4.2
225.09119	7.1
227.10750	3.4
233.08018	3.5
235.07599	6.2
235.13394	3.0
237.09230	3.8
239.10674	8.4
241.08221	3.0
242.09459	3.2
253.08685	6.8
255.10164	82.7
257.11694	6.4
258.05215	5.7
267.07483	5.2
267.10153	40.9
277.08649	3.6
279.10004	7.1
283.09760	3.4
285.11261	27.5
286.04816	7.3
286.08020	3.0
293.11823	3.1
295.09879	2.8
307.09732	8.1
309.11258	8.9
311.12827	5.3
315.83682	2.5
321.11218	15.5
327.12222	11.2
332.10001	3.5
339.12271	16.7
349.53064	2.7
357.13388	9.1
375.06903	6.8
375.14679	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	375.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91625	1.6
56.96558	18.6
60.60392	1.8
69.88918	1.7
71.58221	3.5
73.08451	2.0
74.97589	1.8
81.07005	1.8
84.08173	2.0
84.96048	8.9
86.09705	6.4
91.05457	3.4
95.08632	2.1
97.20775	1.7
98.97581	42.0
103.05437	2.0
110.97579	8.1
116.98610	34.5
119.04933	2.0
128.98598	12.7
131.00090	3.1
133.02876	2.5
134.99640	20.3
137.05997	5.2
140.98540	1.8
143.00117	5.0
146.06004	3.1
146.99635	14.0
149.01237	2.5
151.03925	4.5
152.98595	3.7
158.99648	9.4
161.01213	12.5
161.03008	2.7
162.99129	4.5
166.57376	1.9
167.06981	3.3
170.99635	7.9
177.00696	15.6
188.07085	5.4
189.00703	5.8
195.01743	3.3
200.05124	2.0
219.01755	11.5
223.06413	2.1
237.02786	25.4
249.04448	2.8
255.03886	2.2
260.04407	2.3
267.05438	5.0
289.09473	11.5
307.10608	100.0
308.10794	2.5
325.11676	15.2
330.12216	7.0
331.10840	2.1
349.11676	12.4
375.10410	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	375.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
55.01856	1.2
55.05516	0.4
56.96561	0.5
57.03432	0.7
61.02920	1.0
67.05482	0.5
68.05048	0.5
69.03432	3.0
69.07052	0.4
70.06593	0.8
70.83303	0.4
71.04988	0.7
71.57612	0.8
72.08131	1.2
73.02918	0.6
79.05488	0.6
81.03418	3.0
84.08134	1.9
85.02905	5.3
86.09692	1.8
87.00822	1.6
95.04932	0.5
97.02898	1.6
99.04445	1.0
105.01826	0.9
107.08607	0.8
109.02873	3.0
116.98636	0.6
120.16190	0.4
121.10217	0.5
127.03915	100.0
128.04248	0.5
137.05995	1.0
145.04973	1.2
147.04315	0.5
149.05984	0.4
149.09625	0.6
159.02942	0.9
167.07089	0.5
177.09096	0.5
178.05830	1.2
195.10167	1.2
196.06871	0.4
213.11226	0.7
231.05069	0.6
331.13531	0.9
343.09750	0.5
375.12311	2.1
375.16815	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15826	2.8
56.96566	21.6
58.08649	2.3
70.37867	8.5
83.04984	2.4
84.96033	5.0
85.02899	4.1
87.90404	2.6
87.98999	2.2
97.02888	5.0
98.97562	14.7
104.42205	2.7
104.77859	2.6
110.97620	3.3
116.36385	2.5
116.98627	13.7
119.01881	10.3
121.01639	3.2
128.98653	5.4
131.01872	3.0
134.99704	11.1
140.98851	2.8
145.03435	5.7
146.99648	4.3
149.01140	2.6
149.02995	2.6
150.02744	2.7
153.00867	6.9
158.99866	3.1
161.03040	2.6
162.99330	10.6
164.99066	2.6
174.97604	4.7
175.04539	3.4
176.99449	2.7
177.00954	44.5
178.01048	5.3
181.50165	3.0
182.99995	3.1
187.01175	2.8
190.98955	3.5
192.98662	6.3
193.99617	2.7
194.98473	3.2
195.00153	3.9
197.01492	2.9
197.49948	3.9
201.01025	26.2
202.99718	4.5
203.02487	9.5
205.00349	12.8
207.00809	2.2
208.01532	2.7
208.51851	4.3
210.99919	4.0
213.00877	12.1
215.00403	4.6
215.02464	31.4
216.00710	5.5
216.02817	2.7
216.96901	3.7
216.98830	11.9
217.03990	6.3
218.50302	3.2
218.98590	5.4
219.02013	100.0
220.02060	11.3
221.01788	2.8
221.04935	4.1
222.99390	3.8
223.99878	3.1
225.00999	6.0
225.50620	2.8
227.02678	15.7
229.00372	5.5
230.00386	7.1
230.50510	4.6
231.00075	4.4
231.00583	2.6
231.02113	17.4
231.98969	3.3
233.03568	70.8
234.03671	7.7
234.99657	6.5
235.01711	4.2
235.06635	4.2
239.02673	3.6
239.50905	4.5
239.97855	2.9
242.01299	33.1
242.03482	3.8
242.51108	3.4
243.02122	27.1
244.02242	5.5
244.99976	3.1
245.03508	31.7
245.51013	4.1
246.51268	3.6
247.01714	5.6
247.06679	3.7
251.50726	3.8
255.01939	12.1
257.01007	5.2
257.03558	56.5
260.02451	37.3
261.03214	31.0
263.04578	17.3
265.01059	3.2
267.02170	3.7
267.98718	2.7
269.03583	17.6
273.03207	23.7
274.00479	3.8
275.01865	3.6
275.04758	5.0
275.51755	3.8
279.01556	3.0
279.04199	26.2
280.04880	2.7
281.99756	2.9
285.02872	7.6
287.01416	8.9
287.04642	14.9
287.52249	4.1
288.01886	4.0
289.02621	4.0
291.00955	4.7
291.04114	57.8
292.04523	6.9
296.02466	5.6
296.52444	3.8
297.02856	8.4
300.00525	4.0
300.03735	3.7
303.04312	13.1
309.01358	4.1
309.04913	16.5
310.02005	8.7
313.02481	5.3
315.00388	6.4
315.04111	9.8
317.05698	4.9
323.99246	5.0
333.01135	8.0
333.05121	80.6
334.05310	9.6
337.10007	15.5
339.09601	7.8
345.01294	3.4
345.05008	14.3
350.99658	3.3
351.06305	38.3
356.06738	3.8
363.06345	8.1
375.06403	33.7
393.06876	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	374.2284
Annotation	Leu Ile Glu
Peak:m/z	Relative Intensity
56.05027	0.4
60.04522	0.6
66.01937	0.3
69.03381	0.4
69.06728	0.5
69.07069	6.3
69.25816	4.4
70.06588	0.7
72.08144	0.9
72.50134	0.4
76.29926	0.3
84.04484	2.4
84.08140	1.6
85.02916	0.5
86.09705	100.0
87.10039	1.0
91.05795	0.6
99.40500	0.4
102.05537	1.5
126.05577	0.4
127.03934	0.5
129.10278	1.0
129.59955	0.4
130.05014	1.7
148.06055	6.3
153.01842	1.6
177.05441	0.9
195.06490	0.5
199.18054	25.7
200.18364	0.9
223.59749	0.4
227.17540	11.3
238.48392	0.3
242.96054	0.4
261.14468	9.3
263.65283	0.5
270.29013	0.4
301.40109	0.4
302.62997	0.4
321.12622	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81546	1.3
56.96542	2.6
57.89108	1.5
58.99851	2.8
62.99157	1.3
69.03426	2.6
70.75415	2.5
70.75785	2.4
70.99864	1.4
73.02915	1.8
74.69761	1.4
77.00909	7.0
85.02891	3.8
86.43779	1.5
91.02461	2.8
93.62323	1.4
94.72385	1.6
95.01955	2.4
97.02853	2.4
98.97614	2.3
101.00876	14.3
103.02472	1.5
105.00357	1.5
109.03508	3.7
113.00864	2.2
115.02420	7.7
119.01920	100.0
126.98795	1.9
127.03912	2.8
131.01912	11.5
133.03476	34.3
134.99670	1.9
137.02963	26.9
142.03488	3.8
143.01909	6.1
144.99820	35.0
145.03427	5.1
147.01364	4.6
149.02983	9.7
151.04521	8.1
159.01422	7.2
161.02956	18.3
163.00900	14.9
163.04527	3.1
165.02530	1.4
167.04054	2.2
168.99802	17.9
171.01396	5.1
172.99344	8.6
173.02905	7.5
175.00873	8.5
175.04532	3.4
177.00858	2.6
177.02434	19.8
179.04001	2.0
185.03018	2.9
187.00867	46.7
188.01068	1.4
189.02449	19.8
191.00380	12.1
191.01945	1.6
191.03979	10.2
193.01959	4.6
195.03499	5.8
196.99275	3.0
199.00888	8.0
201.02443	8.5
203.04001	2.3
205.01938	14.1
207.03410	7.8
210.02483	2.1
211.01082	1.3
212.98801	2.2
215.00357	38.0
215.03761	1.5
217.01949	20.7
219.01587	2.2
219.03484	17.6
221.04910	1.8
223.02864	7.8
224.98836	2.2
227.00438	4.8
229.01932	10.1
230.99886	5.8
231.03564	3.5
233.01355	2.5
234.56857	1.7
237.02869	1.8
238.02052	2.5
240.03430	1.8
242.05164	1.9
242.99870	6.1
245.01433	11.6
247.02991	41.8
249.04581	1.9
251.02470	3.0
254.31129	1.5
254.99814	9.3
257.01306	2.7
259.02908	4.1
265.04034	13.6
270.04483	3.9
271.02783	2.3
273.00912	14.7
275.02536	4.0
277.03946	4.5
283.05234	2.4
285.00861	2.6
287.02219	2.6
291.01978	3.2
296.02411	1.7
301.00491	10.2
301.03543	2.1
303.01968	2.0
305.03546	4.9
315.01932	23.9
319.01443	5.3
333.03030	15.4
343.01672	7.8
343.05191	1.7
349.20187	1.5
361.02521	10.0
375.03772	1.8
393.04785	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	29.5
67.05492	8.2
71.59047	5.7
71.95261	3.5
79.05490	6.8
81.07044	5.8
87.04463	3.2
91.05486	4.3
93.07067	7.6
95.04971	2.8
105.07031	6.6
107.08598	3.3
113.96040	3.3
116.98533	3.0
120.96262	3.1
128.98595	12.6
129.09174	7.2
143.08543	4.1
146.99634	15.4
165.00728	5.0
166.99648	2.6
179.02182	3.3
259.12228	4.2
263.09387	5.2
271.08456	3.2
277.21350	3.7
289.09583	4.5
315.16275	31.8
333.17352	100.0
351.18402	42.2
356.18887	15.6
374.19839	5.3
374.25400	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	374.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
57.00231	1.1
57.03436	1.7
61.02937	1.7
69.03416	5.2
70.06597	1.3
70.64980	3.0
71.05031	0.9
73.02924	1.8
81.03403	1.6
81.07043	1.0
84.31119	1.2
85.02898	16.1
89.03900	7.4
91.03922	1.6
91.05462	2.0
97.02894	4.7
99.04457	1.4
109.02885	2.1
117.03374	16.4
121.06464	1.7
127.03929	2.5
134.03641	1.9
134.05981	1.0
135.04428	3.0
145.02838	44.1
145.04941	3.9
146.03229	1.3
149.05986	9.7
154.39313	1.0
163.03912	3.0
164.05792	1.2
177.05464	100.0
178.05794	3.0
180.08612	1.2
195.06509	41.3
216.12169	0.9
221.93622	1.0
231.13986	1.0
286.76138	1.2
307.02173	1.0
374.13977	2.2
374.18567	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	374.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57960	0.6
57.03436	0.7
61.02928	1.0
69.03415	2.2
69.61626	4.6
73.02908	1.4
77.45034	0.6
81.03403	1.6
82.95713	0.7
84.08150	0.6
85.02905	7.6
86.09695	1.0
87.00833	0.8
87.04461	0.7
91.05461	4.2
97.02901	3.7
106.66158	0.5
109.02862	1.5
113.03632	0.5
122.03658	1.8
123.04438	3.9
124.07548	1.0
127.03917	3.0
132.13916	0.7
137.05975	100.0
138.06308	1.1
145.04996	2.2
147.04405	1.2
161.06004	1.6
167.07077	1.0
175.03918	0.8
177.05463	1.8
191.44786	0.7
195.10181	1.9
205.04982	0.9
212.12839	1.4
217.05016	0.9
234.07652	0.7
273.11377	0.7
281.63879	0.5
374.18234	1.3
375.16150	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93194	0.4
53.03941	0.7
55.01854	0.5
55.05501	0.6
57.03429	0.7
61.02921	1.1
62.13254	0.5
69.03432	2.3
70.06445	2.4
73.02913	0.6
79.05480	0.8
81.03403	0.9
85.02429	0.7
85.02905	7.5
89.03919	0.9
91.05464	0.7
94.04198	0.6
95.04970	0.5
97.02879	2.3
107.04922	1.0
107.08599	0.6
109.02911	0.7
117.03360	1.7
118.03741	1.3
121.06497	0.6
122.03644	2.4
127.03911	1.5
137.05972	100.0
138.06313	1.0
138.09116	0.7
145.02898	2.4
145.04953	1.4
146.03204	2.2
146.08417	0.4
146.76837	0.4
150.06401	0.4
158.48584	0.4
161.05968	1.2
164.34778	0.4
177.05435	2.5
177.09033	0.5
178.05751	2.4
180.08676	0.8
189.09067	1.0
194.13704	0.6
195.10176	3.1
197.85081	0.4
200.59242	0.5
207.10144	0.6
212.12839	1.9
212.14726	0.6
236.09915	0.5
270.19412	0.5
356.15045	0.6
374.14929	1.1
374.19092	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.4
55.00423	1.4
55.01865	2.9
57.03423	1.5
65.03939	1.7
69.03430	16.2
70.93088	4.4
71.04989	1.8
73.02897	3.8
81.03419	10.4
85.02907	46.4
86.09704	2.8
87.00834	20.0
91.05481	100.0
97.02883	12.8
99.04450	6.0
105.01875	23.1
105.07027	2.9
108.04463	2.2
109.02871	9.6
126.05561	1.9
127.03909	30.7
129.01932	2.2
137.05981	2.5
141.40831	1.5
145.04959	14.1
145.06526	1.6
147.02916	2.3
159.02887	6.1
162.60509	1.7
189.03847	2.1
198.10155	1.8
222.11324	4.0
231.05035	7.3
396.96790	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83718	1.5
55.01864	1.8
56.05028	1.5
57.03421	2.4
57.05811	2.5
61.02916	5.4
69.03426	14.4
70.48387	5.3
70.76160	1.2
71.04970	1.7
73.02895	2.3
81.03395	6.6
85.02908	27.7
85.21815	1.4
87.04468	1.5
91.05784	2.0
92.05001	3.4
97.02901	10.7
99.04443	1.8
105.07032	3.1
108.04442	1.5
109.02880	4.0
113.36200	1.4
114.54129	1.5
120.04447	1.5
124.03914	2.1
127.03925	9.7
132.08076	1.8
134.06018	1.6
136.03984	1.8
137.05984	1.6
138.06302	1.8
145.04976	3.7
147.01680	1.4
147.04480	1.8
148.07582	1.4
149.08371	2.4
150.09146	9.2
153.04193	4.0
154.04985	2.3
164.03419	4.1
166.05016	2.3
176.07037	5.4
194.08116	100.0
195.08443	2.1
202.22351	1.4
206.50975	1.3
212.09180	70.3
242.72720	1.4
281.45102	1.4
374.14621	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	374.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
57.03438	3.0
57.03699	0.5
57.04040	0.5
69.03419	1.4
70.06580	0.8
71.01366	4.3
71.33160	1.2
73.02911	5.2
78.03446	4.5
80.05025	2.9
81.03436	0.6
83.01350	0.6
85.02908	11.1
95.01331	6.1
96.04505	3.8
97.02890	1.2
101.02376	1.3
103.03926	1.5
106.02914	19.6
106.03624	1.2
113.02381	2.9
124.03954	100.0
125.07130	1.4
126.06590	0.6
127.03910	0.6
131.03409	3.6
141.01819	9.7
159.02905	1.9
164.07146	0.8
180.06563	14.3
180.08060	1.1
194.08170	0.7
198.07617	72.6
199.07959	1.0
212.09160	1.4
212.14534	0.7
219.06522	0.6
302.73474	0.6
342.14471	0.6
374.10828	3.3
393.34787	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60515	0.9
53.03936	2.3
55.01862	3.6
57.03415	2.8
58.33167	0.8
61.02903	2.8
65.03921	1.8
66.50420	0.9
68.99774	1.4
69.03082	1.1
69.03427	15.8
70.74627	1.8
70.74998	1.6
71.04968	3.3
73.02899	3.8
77.04884	1.0
81.03413	10.5
85.02901	45.4
85.52576	1.0
86.09693	3.0
87.00824	18.8
91.05475	100.0
92.05804	1.1
97.02887	14.2
99.04475	5.8
104.55564	1.0
105.01862	31.1
105.07035	1.2
108.04456	2.9
109.02863	11.9
115.03915	1.1
117.01848	1.6
127.03906	36.7
129.01784	2.4
129.06966	1.5
133.06538	1.3
145.04955	16.7
145.06491	2.1
147.02878	2.3
159.02879	8.5
171.02867	1.0
171.08105	1.5
175.07617	1.4
189.03964	3.1
199.07559	2.2
213.03894	1.4
215.13922	1.2
217.08560	1.1
219.20566	0.9
223.24734	0.9
230.06502	1.3
231.04971	9.6
249.05978	2.3
303.08539	0.9
321.09384	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2373
Annotation	Xysmalogenin
Peak:m/z	Relative Intensity
50.41630	3.6
55.05514	4.8
56.96552	3.5
66.18278	3.3
67.05499	20.3
69.03407	4.2
69.07056	8.3
71.58894	6.7
79.05481	20.9
81.07067	24.5
81.45026	2.9
83.08605	6.5
85.02917	6.4
86.69980	2.7
91.05462	28.3
93.07039	30.2
95.04978	4.9
95.08598	18.2
95.29734	3.3
98.71651	3.1
101.20406	2.9
105.07018	43.1
105.62627	3.7
107.04935	5.5
107.08574	28.4
109.10130	10.6
115.05453	3.1
117.06998	15.6
119.08575	34.6
121.06463	4.2
121.10123	11.1
124.63882	2.7
128.06230	7.6
129.07001	16.5
130.07761	4.1
131.08554	25.9
133.10110	13.9
135.11723	7.0
137.05942	5.4
141.06967	6.8
142.07808	4.4
142.81252	3.0
143.08557	20.2
145.06476	5.0
145.10143	16.4
147.08041	6.5
147.11690	22.6
149.13243	6.8
153.06889	3.8
155.08568	11.7
157.10153	14.8
159.11696	18.7
161.13271	20.3
165.06926	3.9
167.08485	7.9
168.09325	6.6
169.10078	9.9
171.07936	4.3
171.11729	9.7
171.58507	2.9
175.07515	17.7
175.14813	5.5
177.09132	4.0
179.08551	6.0
181.10106	9.6
182.10838	3.7
183.11696	17.7
185.13268	9.2
187.14912	4.3
187.46883	2.9
189.09100	5.8
193.10065	4.0
195.11633	8.2
197.13171	4.8
199.11000	3.9
199.14894	4.9
207.11819	3.7
209.09564	6.9
209.13206	4.5
211.11151	4.7
211.14796	5.1
215.10622	3.6
223.14775	4.8
227.10675	16.5
229.12212	20.6
237.12779	3.7
241.12248	4.5
243.13850	6.2
247.13361	4.2
251.17992	4.5
253.19481	8.5
255.13843	8.3
273.10468	3.7
277.19632	4.1
291.21118	11.3
292.12637	4.2
301.19638	3.4
309.22141	4.7
319.20453	10.3
337.21619	100.0
355.22675	87.3
356.23166	4.2
373.19550	4.3
373.23782	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	373.2372
Annotation	[1R-(1alpha,4alpha,4aalpha,5alpha,6alpha,8abeta)]-Decahydro-4,8a-dimethyl-6-(1-methylethyl)-1,4-epoxynaphthalen-5-yl ester  4-methoxybenzoic acid
Peak:m/z	Relative Intensity
53.03948	0.5
55.01862	1.8
55.05512	3.0
56.96571	0.5
57.03416	0.6
61.02917	0.4
64.74734	0.4
65.03934	2.2
67.05177	0.8
67.05505	10.7
69.03399	1.0
69.07075	2.1
69.26300	0.4
71.04993	0.6
71.24433	0.5
71.58673	0.7
74.10307	0.4
77.03886	0.4
79.05493	7.8
81.03410	1.1
81.07058	7.0
81.55298	0.4
83.04984	4.2
83.08598	0.7
85.02901	7.0
85.06533	0.7
87.04998	0.4
91.05466	8.0
93.03406	1.9
93.07040	8.5
95.04967	2.4
95.08611	5.6
97.02876	0.7
97.06525	1.6
99.08064	0.5
105.07033	9.9
107.04956	2.0
107.08591	8.7
109.06521	2.4
109.10169	2.8
111.04441	26.4
111.08035	0.5
115.05473	0.8
117.07018	3.1
117.56670	0.4
119.08578	7.2
121.06490	1.3
121.10146	4.8
123.08018	0.6
125.05997	2.3
128.06195	1.0
129.06973	2.3
130.07787	0.4
131.08569	5.8
133.06429	0.4
133.10117	5.4
135.04425	0.6
135.08069	1.0
135.11720	2.1
137.02344	0.5
137.05981	1.8
137.09616	0.7
139.03926	0.7
141.06998	0.8
142.07739	1.0
143.07553	0.6
143.08516	3.1
144.09390	0.5
145.06473	0.6
145.10115	7.4
147.08046	1.4
147.11688	3.8
149.09561	1.2
149.13242	1.3
151.03885	0.6
151.07596	0.5
151.11237	0.9
153.05455	1.7
155.08530	1.9
157.10094	3.9
159.08057	0.5
159.11688	4.8
161.09651	1.1
161.13264	1.9
163.03867	0.5
163.11183	0.6
164.07117	1.0
167.07109	0.8
167.08560	0.8
169.10182	2.2
171.11731	2.3
173.09599	2.6
173.11935	0.4
173.13268	2.2
175.07460	0.8
175.11266	0.9
175.14850	1.9
177.09131	1.0
181.06589	0.5
181.10185	0.7
182.08232	0.7
183.11739	1.3
185.13283	1.8
187.11171	0.8
187.14806	1.2
189.09113	0.7
189.12752	0.6
191.10672	0.6
193.08592	0.6
195.11678	0.7
197.13232	1.4
199.11115	0.5
199.14825	1.0
201.05452	0.5
201.12714	0.8
201.16388	1.4
203.14426	0.5
203.17743	0.5
205.12245	0.7
209.13289	0.9
211.09515	0.6
211.14822	0.8
213.16438	0.6
215.10683	0.9
225.16396	0.5
229.12286	0.6
253.19601	0.7
267.09021	0.5
285.10065	1.7
337.21661	1.3
352.22293	0.5
355.22791	1.3
373.23734	100.0
374.23969	3.9
391.24619	0.9
395.92587	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	5.3
55.05493	8.0
56.96556	7.5
61.02917	4.5
67.05500	22.9
68.37025	3.8
68.99757	3.8
69.03415	5.4
69.07058	5.8
71.16681	12.0
76.68555	4.3
79.05476	15.3
81.07069	26.7
85.02874	5.6
85.06538	21.9
91.05466	14.3
93.07051	11.9
95.04936	8.4
95.08607	14.7
97.02888	6.8
101.02663	4.2
105.07014	13.3
107.08585	14.8
109.06505	14.7
109.10143	12.6
109.64223	5.6
114.11411	4.4
119.04910	6.9
119.08571	13.4
120.08077	14.3
121.06443	5.6
121.08441	10.5
121.10133	8.5
123.04417	34.3
125.05997	12.1
127.03926	6.3
127.07548	6.1
132.37396	5.6
133.10109	7.3
135.11691	5.7
137.05986	12.9
139.03870	19.3
143.08563	5.3
145.10126	12.2
147.04359	12.2
147.11688	10.0
151.03893	45.7
153.05518	10.3
153.47673	4.4
155.03371	17.2
155.08609	5.1
159.11690	14.4
161.09637	4.6
161.13277	6.0
163.03886	10.3
165.05424	7.4
165.09012	7.7
167.07082	9.2
171.11673	6.5
185.13264	4.4
187.14740	5.6
193.08621	28.7
205.08661	7.1
211.07634	5.9
211.09642	100.0
211.11438	3.7
212.09991	4.8
220.10402	6.4
221.11696	17.7
292.12424	20.4
303.08585	13.2
309.22159	4.5
327.11691	5.1
337.21640	14.2
343.11569	10.4
355.22626	16.4
373.06964	8.9
373.12677	5.5
373.18448	8.1
373.23236	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	373.2222
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
52.23053	2.1
53.03939	5.2
53.25764	2.2
54.09535	2.3
55.01860	7.1
55.05516	17.5
57.03423	7.2
57.07072	4.1
59.05004	4.4
61.02914	8.0
65.03943	2.5
67.05503	50.8
69.03430	26.9
69.07066	22.0
70.94424	2.5
71.04990	7.8
73.02901	5.5
74.45096	2.4
79.05489	19.7
81.03415	10.1
81.07053	31.4
83.04987	7.7
83.08603	8.1
85.02902	79.0
85.06544	62.3
91.03958	4.6
91.05436	16.8
93.07033	25.1
95.04961	11.8
95.08606	63.1
97.02887	22.7
97.06521	7.8
97.10139	5.4
98.27066	2.6
98.97583	3.2
99.04476	3.6
99.08075	8.1
105.07025	25.0
107.04913	6.8
107.08593	21.9
108.36985	2.5
109.02868	8.1
109.06510	8.7
109.10151	65.4
110.05988	3.0
111.08080	8.5
111.11720	7.3
115.03912	3.6
115.07558	15.5
116.98540	2.7
117.07014	4.5
119.04972	6.0
119.08590	22.1
121.02849	3.4
121.06519	6.7
121.10126	12.8
123.04430	15.1
123.08035	7.8
123.11716	4.9
125.05976	3.7
125.09602	7.7
127.03906	16.9
127.07661	2.9
129.07019	3.1
131.04918	4.4
131.08646	3.2
133.06494	4.3
133.10126	20.3
135.08076	4.1
135.11714	23.3
137.05959	12.2
137.09608	58.7
139.03900	6.1
145.04942	14.2
145.10135	6.4
146.05940	2.7
147.04385	7.7
147.11671	11.3
149.09628	5.5
149.13249	6.3
151.03888	17.7
151.07524	5.4
151.11212	4.1
153.05397	3.4
157.10071	2.6
159.11678	3.6
161.05943	3.7
161.09634	5.6
162.05511	3.1
163.03864	2.8
163.07513	4.6
163.14854	5.4
165.05598	2.9
165.07135	3.3
165.09021	2.9
166.48328	2.8
167.07037	12.0
167.08478	5.1
173.06006	4.6
175.07616	4.5
175.14807	29.9
177.12885	2.8
177.16409	4.1
177.96118	2.6
181.06477	4.0
181.15845	3.5
183.08095	4.8
189.09074	3.0
191.14291	5.9
193.15872	100.0
194.07304	3.4
195.17455	18.6
199.07513	2.9
200.09334	3.6
201.05563	6.2
201.09145	4.5
205.08673	4.3
205.15884	4.5
207.08034	3.6
209.09636	8.6
211.16986	25.2
217.08650	3.1
221.11783	8.0
223.09477	3.9
235.09569	3.7
235.16823	4.3
249.09258	3.2
269.11792	3.2
270.11398	5.8
293.07990	4.2
303.08661	7.5
313.11465	5.4
325.20129	12.1
337.23700	3.3
355.11755	6.4
355.15631	4.1
373.12573	14.0
373.21832	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	373.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56618	3.1
53.03924	4.2
55.05492	6.2
65.03915	4.3
67.05515	17.8
69.03418	12.3
69.07051	10.8
70.06565	4.3
71.58781	5.5
74.63396	3.2
79.05484	7.4
81.03407	4.8
81.07057	12.8
83.04987	7.5
83.08602	6.5
85.02898	18.3
85.06534	9.9
86.09686	5.4
91.05425	5.2
93.07041	12.9
95.04967	10.2
95.08601	24.0
97.02862	9.4
97.06576	4.9
98.97582	3.5
99.08081	13.1
103.05380	3.8
105.06976	6.1
107.08571	14.1
109.02843	3.6
109.06535	10.0
109.10146	45.4
111.04411	5.9
119.08565	15.0
119.92361	3.5
119.98011	3.4
120.08141	4.2
121.06482	4.9
121.10132	10.2
123.04422	8.5
123.08083	6.8
127.03936	9.2
127.07551	5.0
127.55807	3.6
129.07042	4.3
133.10135	9.6
135.11682	38.5
137.05978	6.9
137.09604	7.4
141.07016	4.9
145.06592	3.8
147.04364	4.1
149.13260	6.5
151.03874	7.4
151.11136	3.8
154.21071	3.7
157.06503	3.4
163.97740	3.9
167.07106	7.3
167.10638	29.1
175.14873	17.1
177.00677	3.8
181.04880	6.5
182.07022	3.4
193.08566	6.8
193.15833	22.3
195.08047	4.0
201.05522	4.9
207.09634	4.9
211.09932	7.8
211.13298	100.0
211.16762	22.6
212.13715	5.6
237.05399	4.0
239.11649	4.4
253.08778	4.3
279.91302	3.9
283.09668	4.8
313.11102	10.2
327.12369	5.7
340.49625	4.1
341.10623	9.6
343.11697	6.6
355.11725	11.1
373.13635	16.6
373.18311	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	373.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56618	3.1
53.03924	4.2
55.05492	6.2
65.03915	4.3
67.05515	17.8
69.03418	12.3
69.07051	10.8
70.06565	4.3
71.58781	5.5
74.63396	3.2
79.05484	7.4
81.03407	4.8
81.07057	12.8
83.04987	7.5
83.08602	6.5
85.02898	18.3
85.06534	9.9
86.09686	5.4
91.05425	5.2
93.07041	12.9
95.04967	10.2
95.08601	24.0
97.02862	9.4
97.06576	4.9
98.97582	3.5
99.08081	13.1
103.05380	3.8
105.06976	6.1
107.08571	14.1
109.02843	3.6
109.06535	10.0
109.10146	45.4
111.04411	5.9
119.08565	15.0
119.92361	3.5
119.98011	3.4
120.08141	4.2
121.06482	4.9
121.10132	10.2
123.04422	8.5
123.08083	6.8
127.03936	9.2
127.07551	5.0
127.55807	3.6
129.07042	4.3
133.10135	9.6
135.11682	38.5
137.05978	6.9
137.09604	7.4
141.07016	4.9
145.06592	3.8
147.04364	4.1
149.13260	6.5
151.03874	7.4
151.11136	3.8
154.21071	3.7
157.06503	3.4
163.97740	3.9
167.07106	7.3
167.10638	29.1
175.14873	17.1
177.00677	3.8
181.04880	6.5
182.07022	3.4
193.08566	6.8
193.15833	22.3
195.08047	4.0
201.05522	4.9
207.09634	4.9
211.09932	7.8
211.13298	100.0
211.16762	22.6
212.13715	5.6
237.05399	4.0
239.11649	4.4
253.08778	4.3
279.91302	3.9
283.09668	4.8
313.11102	10.2
327.12369	5.7
340.49625	4.1
341.10623	9.6
343.11697	6.6
355.11725	11.1
373.13635	16.6
373.18311	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	373.1834
Annotation	Pro Trp Ala
Peak:m/z	Relative Intensity
56.72218	0.5
57.11841	0.4
69.03423	1.0
70.06586	0.7
70.72028	1.2
75.38591	0.5
80.00267	0.4
81.03433	0.7
85.02904	2.9
86.09698	0.6
89.03914	0.9
91.05817	0.6
95.04939	0.7
97.02879	0.9
100.30190	0.5
109.02855	0.5
117.03398	1.5
122.08414	1.7
123.09209	3.3
137.05870	0.6
144.05011	0.4
145.02852	4.4
146.08441	0.4
149.05983	0.7
160.09976	1.9
175.12311	6.0
177.05490	7.2
178.51248	0.5
193.11748	0.8
193.13382	10.1
194.04088	0.5
195.06529	2.2
203.01067	0.5
203.05280	4.7
211.14432	11.0
331.34293	0.5
353.72888	0.5
373.18332	100.0
374.18668	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2219
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
51.18423	6.5
55.01868	11.5
55.05513	14.5
55.90596	6.3
57.03441	10.1
57.07050	13.5
61.20856	7.3
67.05491	11.5
68.99792	12.6
69.03424	11.9
69.07068	13.8
71.05016	8.2
71.58408	9.7
77.44385	6.9
79.05486	13.5
80.19655	5.8
81.03437	11.4
81.07034	19.4
83.04959	10.9
85.02900	29.2
85.06542	16.7
86.09682	26.5
91.05434	12.6
93.07003	11.7
95.04929	9.4
95.08607	17.4
97.02892	12.5
99.20107	6.5
103.05510	8.8
105.07026	11.1
107.04925	16.2
107.08597	8.9
109.02860	22.8
109.10162	26.6
111.04465	7.6
119.04913	13.8
119.08572	9.4
123.04416	55.9
123.11683	9.4
127.03838	12.6
129.93205	7.0
131.04872	7.1
133.06410	7.0
133.10109	9.9
135.04440	8.2
135.11668	15.2
137.06015	18.1
139.03947	25.3
141.01776	7.0
145.06511	7.0
147.04414	42.8
147.08147	8.0
151.03888	100.0
151.07466	7.5
153.05453	11.7
161.06017	15.2
163.07471	16.3
165.05493	21.1
167.07076	16.0
167.48100	7.3
175.03766	9.5
175.07521	14.6
175.14810	16.0
177.05434	9.1
181.04968	16.2
187.07451	10.0
189.09200	8.5
193.04941	11.5
193.15858	12.2
205.08644	29.3
207.85570	6.9
211.09703	26.4
211.16924	10.0
217.08609	12.5
217.97720	7.1
221.11746	37.6
223.09619	37.4
231.10408	9.1
235.09630	54.5
249.11287	8.7
253.08466	9.0
253.10670	37.6
259.09811	11.5
267.10400	7.1
271.09668	16.2
277.10684	48.7
283.09842	11.2
289.10822	36.5
293.08054	8.5
301.10687	25.3
303.08655	29.7
313.11322	9.1
319.11823	10.1
325.10480	11.2
337.12888	9.5
355.12024	9.6
373.13922	8.4
373.18210	51.7
374.24298	11.6
380.67291	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	373.1831
Annotation	17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acetate
Peak:m/z	Relative Intensity
62.66933	0.6
69.03413	1.3
70.14288	2.2
80.58749	0.4
84.08142	0.6
85.02892	1.0
86.09720	0.5
87.31440	0.4
89.03915	0.9
91.05436	1.0
95.03816	0.4
95.04978	0.6
106.83411	0.4
107.04897	0.4
115.03928	1.1
117.03366	1.2
135.11586	0.5
137.06020	0.5
142.56602	0.5
145.02817	2.3
148.06299	0.6
149.05998	1.0
151.07590	0.6
154.06577	0.4
155.07042	0.6
161.06036	0.8
177.05444	3.9
193.12019	1.2
203.05264	5.1
217.94637	0.5
253.12846	0.9
254.15610	0.5
285.11221	0.5
306.08463	0.5
311.09116	0.7
341.10028	0.5
373.14844	4.0
373.18356	100.0
374.18875	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59784	0.4
57.03418	0.4
64.07246	0.3
67.05473	0.4
70.06582	1.4
71.57394	0.3
71.57838	0.5
72.08144	1.7
79.05392	0.3
81.07058	0.3
83.06094	0.6
84.04512	0.5
84.08138	1.7
86.09710	3.7
91.05852	0.5
93.07022	0.4
94.04435	0.3
95.66365	0.3
107.04910	0.5
116.71569	0.3
119.04911	0.5
120.08064	0.3
123.04408	0.7
129.10217	1.2
130.06522	1.0
131.04907	0.4
137.05965	1.3
139.03905	1.0
145.06398	0.4
147.04445	0.6
149.05936	0.4
152.22214	0.3
165.05467	0.4
169.85880	0.3
177.05481	0.6
199.17941	0.4
201.05492	2.2
209.04523	0.3
211.13120	0.8
222.11255	0.5
262.05862	0.4
325.10721	0.6
373.18317	100.0
374.18802	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	373.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72869	3.8
55.01882	9.5
57.03436	7.9
57.07073	11.6
61.02925	5.7
65.03937	3.5
67.05497	16.1
69.03423	7.1
70.06614	4.0
70.75796	10.2
73.02914	5.0
77.06714	3.6
79.05496	7.2
81.03388	5.9
81.07033	9.8
85.02917	22.2
85.06544	22.3
86.09706	6.8
89.03899	4.3
91.05485	7.9
93.07056	3.7
95.04953	11.0
95.08643	4.2
97.02903	7.7
99.04488	3.8
103.03941	8.4
105.07035	8.8
107.08573	4.8
109.02861	9.2
109.06512	4.9
111.04396	3.8
116.13664	3.1
117.03378	11.1
119.04922	4.4
119.08582	5.1
121.02862	11.7
121.06439	4.9
122.03643	4.0
123.04465	7.3
123.08119	5.9
127.03960	4.1
129.07063	4.4
133.06503	5.0
133.10135	5.5
135.04445	6.8
135.08081	4.3
137.05975	100.0
145.02831	19.5
147.04387	31.8
147.08018	5.8
149.05988	8.8
151.03920	10.4
161.05986	10.0
161.09589	7.5
163.07581	10.2
165.05486	4.0
171.08047	7.0
173.06023	6.1
175.07518	7.3
177.05475	31.6
179.03404	6.0
187.07567	5.4
189.09068	29.5
191.06992	6.1
195.10075	5.0
201.05519	12.8
203.05281	6.3
203.06960	8.0
203.10672	6.4
205.08588	29.5
211.09535	22.7
215.07022	5.7
217.08595	41.1
223.09610	40.2
229.08612	9.6
231.10182	10.8
235.09636	78.9
241.08664	5.5
243.10094	5.7
247.09726	4.8
253.10741	45.1
255.10239	7.6
259.09622	13.8
271.09662	23.3
273.11206	7.1
277.10709	72.7
283.09702	13.2
289.10660	46.4
301.10632	29.0
319.11697	22.0
337.12790	15.4
365.73166	3.5
373.14423	32.9
373.18436	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	373.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52305	2.2
52.83651	2.1
55.01867	3.9
55.05509	3.9
57.03438	4.3
57.07075	6.3
61.02908	2.7
66.03390	2.5
67.05496	8.5
69.03434	6.1
69.07079	2.8
69.49206	19.9
70.06571	2.6
79.05495	2.8
81.03423	4.1
81.07062	4.3
82.76688	2.1
85.02887	18.0
85.06561	12.8
86.09689	3.6
89.34371	2.2
91.05457	2.5
93.07021	2.6
95.04974	2.6
95.08588	2.9
97.02893	7.6
98.20700	4.2
100.42099	2.4
103.03936	6.0
105.07049	3.0
107.04950	4.0
107.30641	2.4
109.02883	6.1
109.06501	4.4
109.10150	3.7
113.49690	2.2
119.08570	3.0
121.02862	2.6
121.10172	2.6
123.04426	8.0
127.03915	5.2
127.07553	3.2
133.06505	4.1
135.04416	3.0
135.07999	4.9
137.05977	100.0
139.03856	3.5
143.08487	3.3
145.02820	3.5
147.04398	15.5
147.08081	5.5
151.03961	6.0
159.08089	2.9
159.47409	2.5
161.05983	5.6
163.03964	3.0
163.07567	4.2
165.05505	3.0
173.05949	4.2
175.07524	3.9
177.05469	9.2
177.09094	3.4
179.03427	5.6
187.07462	2.5
189.05492	4.4
189.09122	14.0
193.04909	2.9
193.08710	3.1
193.15857	2.6
195.10123	4.0
199.07552	4.5
201.05421	7.9
203.10622	2.9
205.08597	20.3
211.09622	8.1
211.17105	2.3
213.05469	3.9
215.06955	3.1
217.08585	21.2
223.09650	27.8
226.75099	2.5
229.08638	7.6
231.10129	5.5
235.06056	3.2
235.09639	54.6
241.08492	3.0
243.10161	4.4
247.09616	2.5
253.10765	23.7
259.09680	8.6
271.09741	12.8
273.11121	3.2
277.10690	40.2
283.09665	8.6
289.10638	27.2
293.07739	2.9
301.10629	21.7
319.11761	11.0
337.12909	8.5
339.77420	2.4
355.13492	2.3
373.14523	3.8
373.18390	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	373.1492
Annotation	multifidol glucoside
Peak:m/z	Relative Intensity
55.05499	1.3
56.78030	1.1
57.03434	1.8
57.07080	2.1
59.92540	1.1
65.03950	1.6
67.05499	16.8
68.99811	1.3
69.03414	1.4
69.80337	1.0
70.18646	1.7
70.19061	3.6
71.32844	1.0
79.05494	2.5
81.03429	1.4
81.07044	6.0
81.44151	1.1
85.02906	2.5
85.06544	37.9
89.90577	1.3
91.05459	2.4
93.07069	2.8
95.04983	1.7
95.08578	2.0
100.41489	1.2
104.03997	1.1
105.07011	3.0
107.08579	3.1
109.06507	12.4
119.08565	2.0
121.06532	1.8
121.10169	1.3
123.04433	16.8
123.08053	5.0
125.05996	3.9
125.09616	2.6
126.51557	1.3
127.03911	4.0
127.07552	18.0
128.38124	1.0
131.08542	1.2
133.10161	2.1
135.11639	1.3
137.05971	2.0
139.03883	3.7
147.08008	1.5
147.11745	1.5
149.05936	1.6
151.03912	2.1
151.07524	4.6
153.05452	4.1
155.03438	5.8
160.05269	1.1
164.04707	1.2
165.05461	1.3
165.09152	9.1
167.07080	1.1
169.08638	1.7
175.07536	4.1
193.06836	2.6
193.08615	50.4
201.16325	1.4
211.09654	100.0
212.09996	3.2
235.14767	1.3
236.91646	1.3
337.21582	2.6
355.22711	4.2
373.23807	1.7
384.37555	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52305	2.2
52.83651	2.1
55.01867	3.9
55.05509	3.9
57.03438	4.3
57.07075	6.3
61.02908	2.7
66.03390	2.5
67.05496	8.5
69.03434	6.1
69.07079	2.8
69.49206	19.9
70.06571	2.6
79.05495	2.8
81.03423	4.1
81.07062	4.3
82.76688	2.1
85.02887	18.0
85.06561	12.8
86.09689	3.6
89.34371	2.2
91.05457	2.5
93.07021	2.6
95.04974	2.6
95.08588	2.9
97.02893	7.6
98.20700	4.2
100.42099	2.4
103.03936	6.0
105.07049	3.0
107.04950	4.0
107.30641	2.4
109.02883	6.1
109.06501	4.4
109.10150	3.7
113.49690	2.2
119.08570	3.0
121.02862	2.6
121.10172	2.6
123.04426	8.0
127.03915	5.2
127.07553	3.2
133.06505	4.1
135.04416	3.0
135.07999	4.9
137.05977	100.0
139.03856	3.5
143.08487	3.3
145.02820	3.5
147.04398	15.5
147.08081	5.5
151.03961	6.0
159.08089	2.9
159.47409	2.5
161.05983	5.6
163.03964	3.0
163.07567	4.2
165.05505	3.0
173.05949	4.2
175.07524	3.9
177.05469	9.2
177.09094	3.4
179.03427	5.6
187.07462	2.5
189.05492	4.4
189.09122	14.0
193.04909	2.9
193.08710	3.1
193.15857	2.6
195.10123	4.0
199.07552	4.5
201.05421	7.9
203.10622	2.9
205.08597	20.3
211.09622	8.1
211.17105	2.3
213.05469	3.9
215.06955	3.1
217.08585	21.2
223.09650	27.8
226.75099	2.5
229.08638	7.6
231.10129	5.5
235.06056	3.2
235.09639	54.6
241.08492	3.0
243.10161	4.4
247.09616	2.5
253.10765	23.7
259.09680	8.6
271.09741	12.8
273.11121	3.2
277.10690	40.2
283.09665	8.6
289.10638	27.2
293.07739	2.9
301.10629	21.7
319.11761	11.0
337.12909	8.5
339.77420	2.4
355.13492	2.3
373.14523	3.8
373.18390	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	373.1491
Annotation	Grevilloside C
Peak:m/z	Relative Intensity
55.01870	6.5
57.03433	5.5
61.62756	4.9
65.04794	5.0
67.05505	8.5
69.36472	4.2
69.94737	26.6
81.03428	6.2
81.07047	6.8
85.02901	6.8
85.06544	14.4
91.05472	5.1
98.20881	7.7
104.27992	4.5
109.02887	11.7
119.04922	11.5
123.04418	33.8
131.08618	5.8
137.05934	6.9
138.17712	5.6
139.03868	6.0
147.04414	45.2
149.05882	5.9
151.03917	100.0
153.05476	5.7
160.07092	5.0
161.05922	4.9
163.03838	11.6
165.05469	13.8
175.07579	6.5
189.09088	10.5
193.04855	7.9
201.05545	5.2
205.08585	20.6
211.09798	8.4
217.08577	16.1
221.11754	46.7
223.09631	33.0
229.08676	7.5
231.10063	7.1
235.09654	41.9
253.10735	26.1
259.09711	8.4
271.09659	19.8
277.10797	45.6
283.09659	7.1
289.10614	26.2
301.10745	14.5
303.08633	37.2
319.11823	11.3
337.12659	5.9
356.88855	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	373.1491
Annotation	1-[(pentanoyl)-phloroglucinyl]-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01866	1.4
55.05500	1.6
57.07066	2.5
59.04982	0.9
61.28902	0.8
67.05491	3.4
68.99781	1.5
69.03433	1.8
70.72968	3.4
73.63586	0.9
79.05473	1.4
81.03433	1.7
81.07037	3.2
84.08125	1.2
85.02911	6.7
85.06550	2.0
93.07024	2.3
95.04932	2.6
95.08554	2.6
97.02881	2.0
97.06517	1.4
105.07032	1.9
107.04940	1.4
107.08558	1.7
109.02878	2.0
109.06506	1.6
109.10149	2.0
115.05443	1.2
118.78498	0.8
119.08591	1.2
123.04443	11.1
123.08048	1.0
127.03915	4.9
129.07002	1.2
130.06544	1.0
131.04945	1.0
135.04443	1.0
137.05952	4.7
139.03920	10.0
147.04404	1.1
147.92578	1.1
149.02339	2.9
149.09595	1.0
151.03896	19.1
152.04189	1.0
153.01833	1.3
153.05417	1.5
155.03386	45.8
157.07565	1.1
161.05962	1.9
163.03836	1.2
165.05453	1.9
165.09084	1.8
167.07056	5.2
169.04939	3.5
175.07465	1.2
175.14758	1.3
177.05466	1.9
179.06873	1.2
188.62521	1.0
193.08620	9.4
201.05431	1.3
211.09659	100.0
211.13150	5.7
212.09978	2.8
221.20848	1.1
223.09666	1.8
235.09682	2.5
239.11717	1.3
250.37688	1.0
253.08453	1.3
267.11099	1.8
289.10800	2.0
313.11316	3.8
341.10571	1.9
355.17349	1.6
373.13681	7.8
373.18283	79.7
374.13953	1.2
374.18686	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1491
Annotation	multifidol glucoside
Peak:m/z	Relative Intensity
56.84885	1.3
57.07076	1.6
58.69666	1.4
65.03938	1.3
67.05504	11.3
67.15175	1.3
68.99796	1.5
69.03435	2.2
69.77840	1.3
71.58469	1.7
76.46488	1.4
79.05491	1.8
81.03406	1.8
81.07063	4.5
84.22739	1.4
85.02924	5.1
85.06545	29.1
85.55150	1.2
90.28091	1.4
90.76386	1.6
95.04974	3.0
95.08618	1.6
97.02927	1.5
107.08582	1.8
108.89491	1.4
109.02839	1.9
109.06502	10.6
119.04939	1.5
121.02850	1.8
123.04431	14.6
123.08065	4.0
125.09620	2.6
127.03912	4.0
127.07563	13.1
135.04366	2.1
135.11667	1.5
137.05965	2.8
139.03932	3.8
145.02814	3.1
147.08095	2.3
149.05983	3.8
151.03914	5.2
151.07527	2.7
155.03419	5.1
165.05562	1.5
165.09097	5.2
169.08627	2.4
171.08339	1.4
175.07542	4.3
176.48923	1.4
177.05481	3.4
193.08609	37.4
201.05458	2.1
211.09650	100.0
212.10008	2.1
235.09674	2.6
239.07034	2.2
253.08759	1.8
257.08218	1.8
269.08060	6.3
277.10745	2.4
281.07941	2.1
285.07599	2.4
313.11148	2.6
327.12350	1.6
343.11893	1.6
373.09113	10.7
373.13602	5.0
373.17935	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	373.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.9
55.01867	11.9
55.05513	4.0
57.03434	9.5
57.07080	15.7
57.07308	2.3
61.02909	4.8
67.05508	15.6
68.99792	4.0
69.03411	3.2
69.67929	16.5
73.02923	3.0
75.82798	2.5
79.05493	4.5
79.42635	2.8
81.03393	6.3
81.07056	8.6
85.02905	18.1
85.06541	34.5
91.05463	7.3
93.07037	3.7
95.04960	5.6
95.08590	4.6
97.02876	4.8
101.37348	2.6
103.03941	11.1
105.07018	6.5
107.04975	4.1
107.08570	3.1
109.02896	12.5
109.06521	8.2
109.10161	12.1
119.04954	3.6
119.08604	5.3
121.02874	5.6
121.06532	4.2
121.10141	2.9
123.04420	7.0
123.08093	7.1
125.93964	2.6
127.07543	6.9
131.04886	3.7
131.08609	4.9
133.02885	3.2
133.06490	3.6
133.10101	3.4
135.04489	3.8
135.08043	6.4
135.11678	13.1
137.05966	4.9
139.03873	4.6
143.08499	6.3
145.06528	6.5
147.04405	37.8
147.08040	7.3
149.05971	4.5
149.09627	4.1
151.03899	9.8
157.06474	2.9
159.08072	3.0
161.05997	12.0
161.09619	7.9
163.03932	8.8
163.07549	11.3
165.05487	9.8
167.07129	3.4
171.08105	5.8
173.06029	7.5
174.06693	4.6
175.07524	9.6
175.14862	4.9
177.05508	8.7
177.09125	4.6
179.03427	3.7
187.03973	2.9
187.07568	8.0
188.04630	3.7
189.05473	7.4
189.09093	36.2
191.03392	3.4
191.07053	6.5
191.32988	2.6
193.04968	4.5
193.08623	8.2
193.15976	3.8
199.07536	7.6
201.05539	9.9
201.09152	5.1
202.06119	3.0
203.07083	5.6
203.10724	8.2
205.08600	45.9
207.10205	3.3
211.09569	21.7
211.16855	5.5
213.09123	3.9
214.06160	3.2
217.05092	3.2
217.08565	48.3
223.09639	59.7
223.11676	5.2
226.44713	3.0
227.06966	4.2
229.08633	17.7
230.05428	2.5
231.10236	17.4
235.06082	4.1
235.09641	100.0
236.09946	3.4
241.08690	4.6
243.10222	6.2
247.09721	7.1
249.11230	3.3
253.10683	56.1
259.09662	20.9
271.09665	35.4
273.11423	4.2
276.07043	2.6
277.10690	84.3
283.09616	15.1
289.10703	71.6
301.10703	44.2
302.11090	3.5
307.11786	7.2
319.11707	19.3
329.15735	4.3
337.12805	12.5
373.14621	31.0
376.40753	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	13.9
55.05518	7.2
57.03434	12.5
57.07061	25.3
57.89095	5.5
67.05484	13.9
69.03411	10.0
70.07151	28.7
79.05506	6.0
81.07041	11.3
85.02915	43.2
85.06540	22.6
86.09656	6.4
91.05473	10.9
93.07037	6.9
95.01337	6.1
95.04995	6.1
97.02870	8.9
103.23533	5.8
105.07027	8.6
109.02876	16.0
109.06494	10.8
109.10125	8.2
119.04939	8.6
121.02888	8.2
122.03588	6.1
123.04430	40.4
127.03913	18.5
135.04379	12.1
137.06003	16.6
139.03893	14.2
141.01816	16.4
145.04984	13.2
147.04410	58.5
147.08060	5.3
149.05971	7.7
151.03900	72.0
153.05453	13.9
159.08018	7.1
161.05971	15.6
163.03920	21.2
163.06190	7.5
163.07587	15.9
165.05501	15.8
167.07108	7.3
175.03885	12.4
175.07536	6.1
179.03398	7.9
187.07558	11.6
189.05452	12.8
189.09097	17.0
191.07069	9.5
193.05038	16.8
193.08601	20.3
205.08577	42.4
207.10083	8.8
211.09645	40.0
217.04958	6.9
217.08574	20.7
220.18289	5.9
221.09851	6.2
221.11667	30.6
223.09642	53.9
226.34236	8.3
227.07208	6.7
229.08626	8.0
231.10197	6.6
235.09662	62.3
249.11276	9.5
253.10683	65.0
259.09604	16.6
271.09592	28.2
277.10687	100.0
283.09702	9.4
289.10730	54.5
301.10651	34.6
303.08667	23.2
307.11768	8.2
319.11740	17.2
320.11731	7.3
337.12955	10.9
373.13568	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	372.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00616	3.0
56.96568	28.5
62.17759	3.4
63.03346	3.5
69.45738	28.9
79.04523	3.0
79.05498	15.6
87.04499	18.2
87.92284	3.5
93.72711	3.4
98.20766	7.2
103.89792	3.1
107.08587	5.8
113.89320	3.3
128.98630	4.2
143.10660	6.4
146.99648	9.0
155.03859	3.2
171.03238	3.4
191.05930	3.8
195.82677	3.0
203.05930	5.0
225.04356	3.7
243.09103	5.6
255.09097	5.0
261.10291	4.2
331.15814	50.4
349.16846	100.0
367.17886	19.0
372.18478	18.2
372.30820	8.9
372.34863	9.9
377.19049	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89777	6.2
53.03931	9.4
55.01870	17.8
55.05520	8.9
56.68578	6.0
56.96528	6.6
57.03431	10.7
67.05508	23.9
68.80328	6.5
69.03437	12.9
69.07057	23.6
69.31351	16.2
69.31761	62.4
71.04974	11.9
79.05490	18.3
81.03418	13.9
81.07050	29.0
83.05001	8.8
85.02899	23.8
85.06547	19.4
91.05474	26.0
93.07053	24.8
95.04958	21.0
95.08600	18.7
97.02879	8.7
97.06516	13.9
99.04459	6.5
103.05463	12.1
105.07008	13.1
107.04948	22.7
107.08603	10.6
109.02837	7.2
109.06538	15.4
109.10216	9.0
111.04421	9.0
111.08112	7.0
117.07049	8.1
119.04922	14.3
119.08565	22.6
121.06504	9.3
121.10113	8.5
122.03638	10.0
123.04436	63.1
125.05978	9.1
131.04906	23.5
131.08517	10.1
133.06528	7.8
133.10133	14.5
135.11687	18.7
137.05978	100.0
139.03909	27.2
139.07564	7.0
143.08490	7.7
145.04889	7.1
145.06557	13.7
147.04378	32.9
147.08112	7.1
147.11699	8.0
149.05963	8.8
151.03909	95.0
151.07553	11.0
153.05467	15.1
155.03366	10.8
155.08524	8.5
157.10063	7.1
159.04538	7.6
159.08086	8.8
161.05984	9.8
163.03903	12.2
163.07535	15.9
165.05492	21.2
166.02711	6.4
167.03395	11.8
167.07054	62.8
173.05977	23.8
175.03914	12.2
175.07565	12.7
175.14825	8.5
177.05464	19.2
179.03441	9.5
179.07089	11.7
181.04958	24.1
187.07512	13.2
191.07014	9.2
193.08630	9.2
200.09422	13.4
201.05510	26.2
205.08615	24.3
207.06400	13.1
207.08153	12.9
211.07874	9.2
211.09648	50.8
213.05548	9.6
213.10370	10.6
215.07022	8.1
219.06332	9.5
221.11797	26.9
223.09692	25.9
229.13464	10.1
235.09612	10.8
241.09865	33.0
244.08011	10.7
249.11424	7.7
251.07111	8.7
253.10753	20.5
257.12881	44.2
259.10834	14.9
271.09720	9.0
272.07446	8.2
275.13916	11.7
277.10895	16.0
283.09885	8.2
289.10727	16.0
301.10718	11.6
303.08649	26.9
311.12622	9.4
313.11029	14.1
341.10120	11.1
355.15292	15.2
355.19800	9.5
373.13934	53.1
373.18268	81.1
373.21817	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	371.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	9.3
56.96554	12.4
57.03431	3.6
57.07075	4.0
59.04974	3.9
65.03959	5.4
67.05511	4.3
69.03417	14.6
69.07077	4.6
70.06587	8.6
71.04984	8.7
71.58401	5.8
73.04742	9.2
74.82307	3.9
79.05467	6.3
81.03397	8.7
81.07032	6.4
83.04977	16.4
83.08602	9.6
84.08133	5.6
85.02895	30.5
86.09707	6.1
91.05817	100.0
93.07022	7.1
93.67520	4.2
95.04963	60.9
95.08597	6.1
97.02888	13.3
98.97584	6.5
99.04456	16.3
101.05975	4.9
105.07027	7.5
107.04982	7.7
107.08546	5.3
109.06544	5.5
109.10158	8.1
111.04446	6.1
114.07378	4.8
115.05531	4.6
115.07565	12.1
116.98618	10.1
119.08578	5.5
120.08096	4.9
121.06488	6.1
121.10129	9.2
122.05989	7.5
122.20133	4.4
123.08031	5.9
127.03951	9.4
129.05447	5.3
133.10120	5.5
135.04417	4.8
135.08047	6.8
137.05945	9.7
137.09731	3.8
139.03899	5.1
145.04942	4.6
146.99666	4.8
147.04390	5.4
147.06528	9.1
149.05983	5.2
150.05473	3.9
153.09085	20.4
155.06058	3.9
161.01181	5.8
161.09546	4.1
165.05531	3.9
167.05588	4.7
167.06943	5.5
167.14325	7.6
168.06641	4.2
170.09688	8.3
173.13293	9.2
174.09160	4.7
181.12286	4.5
183.06741	5.8
191.14339	13.6
193.08557	10.0
198.09181	17.1
209.04410	10.9
209.15382	29.8
210.11290	4.4
219.01750	5.6
221.08073	26.4
230.07332	4.2
237.02887	10.4
239.08200	6.8
244.99765	4.5
266.99951	4.7
268.97772	18.5
279.50739	5.0
283.03342	4.6
285.00931	33.5
299.06122	4.5
303.02057	12.2
340.02475	4.0
353.19791	4.5
355.06723	20.3
356.06763	6.3
371.12543	7.1
371.13635	4.7
371.16763	27.0
372.15475	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
65.30631	11.2
67.05515	15.9
69.03445	11.8
69.70213	83.7
79.05485	14.6
81.07050	20.7
83.87366	12.1
93.07024	21.2
95.08637	22.8
105.07030	19.5
107.04950	21.3
107.08586	49.4
109.10143	18.6
120.08174	12.8
121.10143	27.5
123.04435	44.7
133.10118	100.0
137.06000	17.6
137.09628	46.6
147.04382	15.0
151.03937	30.4
161.06041	15.3
163.14825	18.1
165.05530	10.8
167.07019	37.9
191.14311	59.3
208.29163	14.7
216.10982	12.3
219.10208	45.7
247.86096	11.7
371.14798	20.8
393.10446	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	371.2063
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03949	2.2
55.01868	6.2
55.05516	6.0
57.03436	6.0
59.04994	1.3
61.02932	9.4
67.05498	9.6
69.03427	32.0
69.07073	11.4
69.87197	3.2
69.87596	7.4
71.05001	6.0
73.02921	3.9
79.05501	10.2
81.03415	13.3
81.07051	13.6
83.04985	1.8
83.08617	3.0
85.02903	79.3
85.06546	2.5
87.04467	6.5
91.03962	5.4
91.05441	5.1
91.05865	4.3
93.07039	8.1
95.04967	19.2
95.08597	10.0
97.02897	26.7
97.06520	3.7
98.20808	1.6
99.04469	7.9
105.07016	8.1
107.04957	4.0
107.08588	8.8
109.02866	8.9
109.06516	8.0
109.10181	5.1
111.04433	2.2
111.08092	1.9
119.04947	2.2
119.08583	6.8
121.06529	6.4
121.10163	5.6
122.07299	5.5
123.04459	7.6
123.08052	18.1
123.11725	3.5
127.03919	23.4
129.07062	2.5
131.08560	2.9
133.10152	6.0
135.08064	31.3
135.11722	3.4
137.06013	10.2
137.09680	1.5
137.13252	1.5
140.07080	2.4
145.04959	30.2
145.10123	3.3
147.04457	2.5
147.06573	1.3
147.08092	1.7
147.11661	6.7
149.09668	1.5
149.13245	1.8
151.03906	3.8
156.05733	1.9
157.06493	2.1
158.07372	1.4
159.08098	2.5
159.11719	2.1
161.06000	2.2
163.03943	3.0
163.06105	2.9
163.07506	2.0
163.14815	2.5
165.12746	45.8
167.07014	12.1
167.08330	1.8
173.13301	2.9
175.07552	3.5
175.14937	2.9
176.11913	4.8
177.05508	1.8
187.07556	4.4
191.07043	2.6
191.14307	100.0
192.14690	2.8
193.15909	7.0
199.07599	1.7
204.13887	2.9
207.08107	2.0
207.13933	1.8
209.15384	12.4
210.06807	1.8
217.08665	3.3
218.07146	2.7
219.08147	2.3
219.10228	3.4
222.06810	1.4
235.07475	3.1
239.06987	1.8
239.20097	4.4
250.09923	2.1
251.07216	1.7
261.06073	1.4
261.09143	3.5
263.07208	2.2
277.08664	3.6
279.06497	1.8
279.10226	1.9
280.07446	2.0
281.08221	1.9
285.00970	2.2
285.07587	2.3
293.08105	3.7
293.11673	1.8
295.09607	2.4
300.10065	2.6
309.11066	2.2
321.11334	4.9
322.08224	2.1
323.09113	4.0
339.12454	2.3
341.10208	3.8
353.13907	6.2
371.10950	2.5
371.14993	6.5
371.20651	29.4
372.21289	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	371.2063
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03937	5.4
55.01874	14.3
55.05270	2.2
55.05510	33.1
57.03434	10.4
57.87657	1.8
59.04985	3.6
61.02927	13.3
64.27780	2.1
67.05495	7.4
69.03077	3.2
69.03430	46.1
69.07060	4.5
70.85641	4.9
71.04971	6.8
73.02903	7.7
79.05481	7.7
81.03413	17.3
81.07052	12.4
83.01320	1.7
83.04973	48.4
83.08616	36.0
85.02904	61.9
85.06543	4.5
86.03234	1.9
87.04459	6.5
91.03945	2.3
91.05474	7.3
93.07059	10.6
93.07537	1.9
95.04963	24.9
95.08607	12.4
95.58695	1.8
97.02888	25.8
97.06533	11.0
97.10155	3.1
99.04440	9.8
99.75848	2.0
103.03925	6.2
105.07021	6.6
107.04938	4.4
107.08580	18.3
109.02882	11.8
109.06503	6.1
109.10152	17.9
111.04403	2.8
111.08064	10.0
119.08575	4.1
121.06505	5.4
121.10155	13.5
123.08064	10.9
123.11713	4.7
124.16130	2.1
125.05991	5.9
125.09629	13.4
127.03922	14.2
127.11172	2.5
131.08578	2.5
133.10126	4.2
135.08023	2.9
135.11661	3.3
137.05922	4.4
137.09595	3.6
139.02032	2.0
139.11174	28.9
145.04964	7.9
145.10191	2.8
147.11723	2.8
149.09613	5.9
149.13229	4.9
151.07536	2.1
151.11172	43.6
153.09117	7.3
155.10718	2.7
157.10056	2.1
163.11121	2.9
167.07022	4.0
167.14302	42.7
169.12224	5.5
175.11131	2.6
181.12230	43.4
185.08061	5.5
191.14235	2.9
195.10204	3.9
195.13939	1.9
209.04549	2.3
209.15347	100.0
210.15659	3.3
213.92694	1.8
233.11644	2.2
233.15356	7.7
263.16409	4.9
275.16660	2.2
285.00684	2.2
295.15555	2.6
315.82526	1.9
317.17477	2.4
335.18600	4.4
353.20599	3.2
371.16806	12.9
371.20258	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	371.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	5.9
55.05505	19.5
57.03437	7.6
57.07075	10.5
61.02933	8.4
64.93109	3.6
67.05487	10.0
69.03146	2.9
69.03432	33.2
69.07067	12.0
70.06584	8.1
71.04967	6.0
71.49535	6.8
73.02890	5.8
73.04752	10.0
73.29436	3.6
79.05489	14.3
81.03425	10.0
81.07048	13.6
83.04980	23.0
83.08618	20.2
85.02898	42.2
85.06538	7.9
86.09702	4.4
87.04465	3.7
90.52792	3.4
91.05838	66.8
93.07050	25.1
95.04960	100.0
95.08590	10.1
97.02878	18.7
97.06548	9.8
99.04460	21.4
101.03484	9.4
103.03993	4.0
105.07037	8.6
107.08584	28.7
108.08068	5.2
109.02869	12.6
109.06494	9.0
109.10162	17.0
111.04478	6.3
111.08081	9.0
114.07333	5.9
114.10271	3.5
117.07036	5.5
119.08572	12.2
121.10136	55.3
123.04449	5.3
123.08076	9.0
123.11732	7.8
125.05953	5.3
125.09607	6.5
127.03909	13.8
127.06516	4.1
128.98488	3.4
129.05473	6.6
131.08594	4.3
133.10144	11.3
135.08058	6.3
135.11732	4.1
137.05946	9.2
139.11166	8.4
141.88643	3.5
143.08626	4.0
145.10133	6.3
147.06441	4.1
149.07111	12.5
149.09631	4.4
149.13284	9.5
150.05493	11.8
151.07562	4.8
151.11185	9.9
153.09062	25.4
161.09637	3.5
163.14813	12.0
167.05640	4.0
167.07001	10.1
167.14316	16.6
169.09833	7.0
173.13268	6.6
174.07497	4.2
175.11093	4.0
181.12193	12.2
188.88112	3.6
191.14307	16.3
192.08466	7.1
209.15337	51.6
268.97827	18.9
275.16180	5.8
285.00909	23.1
286.01031	4.5
299.06021	6.5
303.02023	7.1
307.43259	3.6
354.13599	4.9
355.06940	13.5
371.16727	45.7
371.20636	13.0
372.17215	6.4
376.18909	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	371.206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34108	2.3
53.03941	6.7
55.01859	14.9
55.05507	35.7
57.03420	11.8
57.07075	3.4
57.15824	2.4
59.05007	2.8
61.02933	17.3
64.16478	2.5
67.05499	8.3
69.03428	49.9
69.07037	11.7
70.06609	3.9
70.75227	9.3
71.04996	7.2
73.02911	5.8
79.05496	6.1
81.03416	15.7
81.07056	11.6
83.01315	2.4
83.04974	51.0
83.05460	4.4
83.08617	39.0
85.02903	59.5
85.06533	5.5
87.04450	8.4
91.03945	3.5
91.05399	3.9
91.05853	4.4
93.07047	16.1
95.04968	9.6
95.08588	14.8
97.02890	28.7
97.06517	9.8
97.10154	3.5
99.04460	8.6
100.11241	3.5
103.03959	6.8
105.07022	10.0
106.91402	2.5
107.04985	3.7
107.08595	18.4
109.02883	8.8
109.06519	8.3
109.10148	12.9
111.08082	9.2
113.06016	4.2
113.09634	2.8
119.08568	6.4
121.06520	6.8
121.10146	13.9
123.08060	12.4
123.11739	4.8
125.05975	9.8
125.09622	12.5
127.03907	18.6
131.08614	3.5
133.10143	3.3
135.08002	3.3
135.11671	2.7
137.06007	4.9
137.09663	3.1
139.11176	29.4
145.04985	10.7
147.11697	6.8
149.09578	13.6
149.13203	6.1
151.11183	41.4
153.09073	4.4
155.10651	2.9
161.09586	3.0
163.11124	5.9
167.07109	5.2
167.14317	46.4
169.12239	4.3
175.07521	2.3
181.12233	46.8
191.14268	7.5
193.08592	3.1
207.01437	3.0
209.15366	100.0
210.15732	3.8
233.15326	7.6
239.46088	2.7
263.16434	4.1
275.16516	3.6
298.74149	3.0
335.18475	4.8
371.16534	6.0
371.20703	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	371.2064
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03936	8.9
55.01871	16.6
55.05511	37.1
56.67141	3.7
57.03432	13.1
57.07072	11.9
59.04993	4.3
61.02921	13.0
62.80791	3.8
67.05503	17.6
69.03428	56.7
69.07070	24.6
70.06597	6.1
71.04989	12.7
71.57955	4.3
73.02909	9.1
73.04747	7.3
79.05494	22.8
79.80657	3.6
81.03432	19.7
81.04571	4.6
81.07054	53.2
81.11696	4.1
81.32868	3.5
83.04979	54.6
83.08623	52.5
85.02907	78.7
85.06558	4.8
87.04468	10.9
89.06052	3.8
91.05877	31.5
93.07040	33.2
95.04964	66.4
95.08607	14.5
97.02889	35.2
97.06540	11.0
97.10136	4.1
99.04474	25.7
99.08069	4.2
103.03928	11.6
105.07029	17.4
107.04964	7.5
107.08595	48.4
109.02896	7.6
109.06543	14.8
109.10176	34.7
111.04474	6.2
111.08091	15.2
113.06039	4.2
117.07033	5.0
119.04913	3.9
119.08591	11.9
121.06504	9.0
121.10136	31.3
123.04410	7.0
123.08087	18.1
123.11711	10.7
125.05983	5.3
125.09676	11.4
125.13337	4.8
127.03925	23.7
127.07646	4.0
129.05473	7.4
131.05025	3.8
131.08606	6.0
133.06500	5.0
133.10162	18.7
135.08063	59.2
135.11714	7.1
137.05983	10.8
137.09596	7.0
139.11169	18.3
145.04930	10.0
145.10115	8.2
147.04410	4.5
147.11664	5.0
149.05966	3.7
149.09615	12.9
149.13281	31.0
150.45111	4.1
151.07585	5.4
151.11174	33.3
153.05461	4.2
153.09093	23.3
163.07555	4.7
163.14856	7.8
164.99875	3.9
167.07054	11.8
167.14316	58.9
169.12215	4.6
173.13284	14.5
177.05531	9.3
180.19620	3.7
181.12222	34.0
185.08144	8.4
191.14304	29.0
203.05310	5.4
209.13455	3.3
209.15347	100.0
233.15251	4.4
254.69226	3.8
268.97806	12.5
285.00964	13.7
297.26886	4.3
303.02164	5.3
317.17554	6.0
355.06781	8.0
371.16818	89.7
371.21094	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	371.2063
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03944	8.2
55.05504	13.4
56.96546	6.9
57.69384	5.8
61.02924	8.9
67.05487	10.6
69.03424	19.0
71.03156	11.6
71.03529	9.9
71.04987	6.3
77.93398	5.7
79.05509	11.0
81.03410	10.8
81.07037	9.4
83.04981	10.1
83.08608	7.3
84.04543	5.6
85.02905	41.2
91.05804	21.9
92.98592	6.2
95.08604	10.0
97.02889	15.3
98.97585	26.3
105.07067	9.0
107.04945	84.9
107.08623	12.3
109.02912	9.6
109.06458	11.5
109.10134	6.3
116.98623	16.7
119.08614	9.3
119.95240	5.5
120.08083	15.6
121.10080	13.2
123.04459	7.9
123.08095	5.6
123.11718	5.2
125.09624	6.7
127.03882	10.5
131.04938	8.1
133.10191	7.2
134.99693	7.9
135.11748	6.8
137.05885	8.6
137.09618	8.5
138.75150	5.5
139.03911	16.3
145.04936	8.1
147.04387	18.3
149.09657	16.7
149.13252	7.6
151.03903	32.4
151.11156	32.6
153.01807	10.5
161.06085	5.8
162.06723	7.9
163.03928	22.1
165.05490	8.0
165.12735	43.9
167.07016	17.4
167.14240	5.5
175.04068	6.0
177.00746	7.7
177.05560	5.6
177.10254	7.2
179.07086	6.5
181.04971	31.6
191.14320	11.5
209.08041	17.1
209.15355	100.0
219.10240	6.6
222.98769	5.3
251.09500	7.0
268.97943	7.3
285.00970	8.4
287.08966	29.2
353.14093	7.2
371.16977	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	371.206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34108	2.3
53.03941	6.7
55.01859	14.9
55.05507	35.7
57.03420	11.8
57.07075	3.4
57.15824	2.4
59.05007	2.8
61.02933	17.3
64.16478	2.5
67.05499	8.3
69.03428	49.9
69.07037	11.7
70.06609	3.9
70.75227	9.3
71.04996	7.2
73.02911	5.8
79.05496	6.1
81.03416	15.7
81.07056	11.6
83.01315	2.4
83.04974	51.0
83.05460	4.4
83.08617	39.0
85.02903	59.5
85.06533	5.5
87.04450	8.4
91.03945	3.5
91.05399	3.9
91.05853	4.4
93.07047	16.1
95.04968	9.6
95.08588	14.8
97.02890	28.7
97.06517	9.8
97.10154	3.5
99.04460	8.6
100.11241	3.5
103.03959	6.8
105.07022	10.0
106.91402	2.5
107.04985	3.7
107.08595	18.4
109.02883	8.8
109.06519	8.3
109.10148	12.9
111.08082	9.2
113.06016	4.2
113.09634	2.8
119.08568	6.4
121.06520	6.8
121.10146	13.9
123.08060	12.4
123.11739	4.8
125.05975	9.8
125.09622	12.5
127.03907	18.6
131.08614	3.5
133.10143	3.3
135.08002	3.3
135.11671	2.7
137.06007	4.9
137.09663	3.1
139.11176	29.4
145.04985	10.7
147.11697	6.8
149.09578	13.6
149.13203	6.1
151.11183	41.4
153.09073	4.4
155.10651	2.9
161.09586	3.0
163.11124	5.9
167.07109	5.2
167.14317	46.4
169.12239	4.3
175.07521	2.3
181.12233	46.8
191.14268	7.5
193.08592	3.1
207.01437	3.0
209.15366	100.0
210.15732	3.8
233.15326	7.6
239.46088	2.7
263.16434	4.1
275.16516	3.6
298.74149	3.0
335.18475	4.8
371.16534	6.0
371.20703	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	371.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.3
55.01866	12.0
55.05513	33.5
57.03436	11.6
57.07079	2.3
59.04992	3.1
61.02926	13.8
67.05501	8.4
69.03079	3.0
69.03429	47.2
69.07060	10.6
70.06590	3.6
70.65088	5.0
71.04987	8.0
73.02905	6.6
73.04744	1.8
79.05495	8.0
81.03422	13.9
81.04559	1.9
81.07066	13.2
83.01331	3.4
83.04487	2.5
83.04979	49.4
83.08620	35.8
85.02906	67.3
85.06535	4.3
86.03262	2.0
86.09716	2.0
86.96498	1.8
87.04462	8.7
91.03970	4.7
91.05787	10.9
93.07034	13.2
95.04362	2.7
95.04966	50.0
95.06081	1.7
95.08614	15.2
97.02888	26.6
97.06535	13.7
97.10180	6.0
99.04460	14.1
99.08096	2.9
101.06040	1.5
103.03954	7.6
103.05437	2.4
105.07029	8.0
107.04958	5.8
107.08598	20.0
109.02879	11.1
109.06529	6.9
109.10158	15.5
111.04441	3.8
111.05571	3.7
111.08069	8.5
113.09644	2.7
117.07054	2.0
119.08607	3.4
121.06497	6.7
121.10146	11.7
123.05573	3.0
123.08081	9.9
123.11707	7.2
125.05991	7.0
125.09619	12.0
127.03914	17.0
127.11195	1.8
131.08623	2.8
133.10132	5.9
135.08009	3.8
135.11688	3.4
137.05968	4.3
137.09685	2.6
139.11188	27.5
141.06567	3.1
145.04976	8.3
145.10052	2.7
147.08055	3.4
147.11671	3.0
149.05978	2.7
149.09612	2.8
149.13245	4.1
151.07455	1.8
151.11182	39.8
153.09088	13.4
155.10669	2.0
159.08128	1.8
159.11697	3.3
161.09641	2.0
163.11169	2.5
165.09084	1.9
167.07048	5.8
167.14313	52.1
169.12288	3.1
173.13205	3.3
175.11154	2.3
177.12778	2.2
181.12212	41.6
181.13687	2.8
185.08121	5.3
191.06972	2.4
191.14342	5.5
191.51868	1.8
195.10260	3.2
209.08086	3.3
209.15367	100.0
212.07353	2.0
221.15512	1.8
233.11969	2.1
233.15359	11.4
237.14996	2.0
263.16254	3.5
268.97916	3.3
275.16388	2.0
285.00998	3.1
327.12280	1.8
335.18762	3.6
353.20660	8.9
355.06998	3.0
371.16644	24.2
371.20959	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.9
56.96581	0.8
57.07032	0.9
68.35802	0.8
69.03423	1.2
70.06598	3.8
71.04977	0.8
71.57777	0.8
72.08158	1.1
73.04749	1.4
81.07029	1.7
83.06060	0.8
84.04493	1.0
84.08105	1.1
85.02927	0.8
86.09703	3.0
91.05312	1.4
91.05807	18.1
95.04948	2.0
97.02875	1.3
101.05999	0.9
105.07031	1.1
107.04939	1.1
109.02884	0.9
116.98659	0.9
121.06526	0.7
121.10116	1.9
123.04429	1.7
125.02366	0.7
129.05463	1.1
129.10240	1.9
136.07581	1.3
137.05966	1.1
139.03810	1.1
139.23618	0.8
147.06512	2.0
149.09637	7.4
151.03931	1.6
164.06985	1.1
176.43698	0.9
177.05531	0.9
180.06505	0.9
188.66370	1.0
191.14330	2.1
193.12004	2.3
201.03712	3.6
203.05255	1.6
209.04457	1.0
226.64368	0.9
266.99893	0.9
268.97833	3.3
285.00757	4.5
292.98688	0.7
299.06177	0.8
303.01996	2.0
332.98926	0.9
355.06998	2.7
356.07214	0.8
371.16760	100.0
372.17184	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	371.1677
Annotation	Asn Thr His
Peak:m/z	Relative Intensity
50.67204	0.3
55.05506	0.4
56.05011	0.4
56.96558	0.5
57.07070	0.4
57.96351	0.3
68.38955	0.3
70.06596	2.0
70.06912	0.3
72.08150	1.0
73.04751	0.9
79.05494	0.6
81.07073	0.5
84.04493	1.3
84.08143	1.2
85.02892	0.7
85.71613	0.3
86.09703	1.6
86.65861	0.4
91.05809	7.4
97.02888	0.6
98.91235	0.4
101.06021	0.5
105.07024	0.8
107.04932	0.5
109.23489	0.3
110.36298	0.3
114.07327	0.4
116.98591	0.7
120.08076	0.3
123.04422	0.6
127.03902	0.4
129.06555	0.4
137.05937	0.4
147.04379	0.4
147.06531	0.7
149.09630	0.6
167.07031	0.4
177.10008	0.3
191.62326	0.3
193.11993	2.9
201.03690	5.3
203.05272	2.6
209.04387	0.7
209.15405	0.4
243.40485	0.4
268.97861	1.5
285.00916	2.1
303.01816	0.7
355.06946	1.5
371.16748	100.0
372.17108	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	371.149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.1
55.05503	3.8
58.06593	2.9
60.07091	3.0
69.07059	3.6
71.09835	5.0
71.10169	8.3
76.07643	4.0
79.05496	18.8
81.07041	14.2
85.02899	12.3
85.39722	3.4
87.64915	3.7
91.05463	14.1
91.05870	6.2
93.07069	7.8
94.04202	7.7
95.04957	11.6
95.08598	7.4
97.02897	5.0
103.54631	3.4
105.07024	11.4
107.04959	28.6
107.08601	6.5
109.06518	6.1
115.85711	3.1
116.06277	5.6
119.08588	6.7
121.10152	5.9
122.03604	3.4
123.04407	17.5
124.05232	8.6
125.05991	4.1
128.06192	9.8
129.07010	13.4
131.04951	7.2
131.08553	13.4
133.06464	4.8
135.04362	4.9
135.08031	4.8
137.05975	100.0
141.01746	4.0
141.07005	5.6
144.05688	11.1
145.06451	4.6
145.10052	5.4
147.04410	10.9
151.03941	12.1
151.07619	4.9
156.05711	29.8
157.06496	7.0
159.08040	18.4
160.05211	5.5
161.05951	9.6
163.03897	6.7
163.07578	5.4
165.05600	4.1
167.07036	77.9
173.05948	6.2
174.06725	8.2
175.07552	14.4
177.05554	8.9
178.07816	5.6
181.04979	8.1
181.08717	5.2
184.05147	6.0
186.06805	4.1
187.07558	21.7
189.07008	4.8
189.09137	12.0
190.07768	8.6
191.14323	5.0
193.08603	5.5
201.09102	5.5
202.06200	6.3
203.08560	10.4
205.06563	8.3
205.08418	5.5
206.07298	9.9
207.07996	4.7
207.27466	3.7
209.15315	4.7
215.08606	8.8
217.08571	58.2
218.07253	13.8
219.08031	12.6
219.10165	11.4
221.09503	7.5
223.07605	8.2
224.08388	5.1
231.08060	9.0
232.08931	5.6
233.09711	17.0
234.06828	10.0
235.07622	16.6
237.05424	5.2
239.07082	14.6
241.08597	13.3
246.06750	5.6
247.07434	9.6
247.09677	26.8
248.08336	6.3
249.09131	29.7
250.06187	3.9
250.09775	4.8
252.07875	11.2
257.08139	4.8
260.08313	9.6
261.09052	29.9
262.06268	5.9
263.07047	13.3
263.10287	4.6
264.07877	6.1
265.08554	6.4
266.09433	5.5
267.10086	3.9
269.08127	10.5
271.06021	4.3
276.07941	5.0
277.08588	29.2
278.09302	15.3
279.06750	4.9
279.10208	8.4
280.07224	5.1
281.11673	6.6
283.09460	4.7
285.00818	3.8
285.07608	41.6
286.08176	5.9
289.08685	9.8
290.09399	4.9
291.06628	3.9
291.09955	4.3
292.07535	4.3
292.10950	4.5
293.08466	5.6
293.11682	19.4
294.08728	4.1
295.09650	7.2
296.10345	3.9
298.08200	4.2
300.09946	37.5
301.10577	20.6
306.08896	8.7
307.09677	13.9
309.11209	20.2
311.08902	5.3
311.12503	4.2
313.10751	10.8
321.11188	33.4
323.09256	10.1
326.11505	14.6
338.11404	6.9
339.12210	8.6
341.13922	10.0
343.15826	4.8
353.13864	48.7
354.14154	4.2
371.14972	39.4
371.20575	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39389	2.1
55.01874	4.8
55.05502	7.4
67.05495	9.1
69.03431	2.6
69.07059	3.3
70.14866	11.8
70.66450	2.1
71.04971	3.1
79.05499	15.0
81.07056	8.9
91.05414	12.5
93.07069	3.7
94.04202	5.0
95.04963	5.8
96.70293	2.3
98.21426	3.8
101.05991	3.7
103.05499	4.8
105.07037	6.4
107.04944	20.4
109.06525	2.2
109.10159	6.5
111.04441	4.1
114.03786	3.2
115.05492	7.3
122.03645	10.0
123.04404	5.2
124.05197	3.1
125.05946	3.6
128.06229	5.9
129.05534	2.9
129.07025	15.8
131.04927	3.9
131.08595	9.6
133.02881	2.9
133.06499	4.3
137.05975	100.0
138.06310	3.7
141.07065	4.4
142.03223	15.8
144.05692	9.6
145.06433	6.7
147.04417	3.1
151.07523	4.4
156.05708	23.6
156.48056	2.4
157.06450	6.7
159.08214	23.4
160.05128	3.1
161.05933	4.3
163.03859	2.6
167.07048	50.3
169.06433	5.4
170.02670	5.4
172.05263	2.4
173.05914	2.8
173.11658	3.1
174.06746	3.8
175.04007	2.8
175.07578	14.4
177.05469	9.0
178.07886	3.5
179.07011	3.8
181.04910	3.7
181.06467	5.5
181.10068	2.4
184.05153	3.9
186.06790	3.0
187.07472	21.3
189.07152	4.6
189.09137	9.6
190.07765	6.7
191.06956	3.1
191.08557	4.6
195.06490	2.3
198.06750	3.4
199.07559	3.3
201.09161	2.7
202.06258	7.1
202.07938	4.9
203.06949	2.8
203.08580	11.6
204.07689	2.6
205.06592	4.3
205.08546	6.6
206.07182	4.8
207.08101	6.7
209.08009	2.9
211.07617	3.2
215.06929	4.1
215.08733	3.6
217.06532	5.5
217.08594	71.5
218.07265	10.9
219.08017	9.6
219.10199	7.2
221.09602	10.1
223.07532	3.6
224.04791	4.4
226.06155	5.8
231.08037	9.2
232.08951	6.2
233.06058	4.3
233.09647	17.6
234.06659	12.7
235.07516	16.1
236.08310	3.1
237.83119	2.5
239.07071	18.6
239.19992	4.8
241.08546	19.0
242.05695	9.8
245.05925	3.6
246.06717	7.6
247.07478	6.5
247.09706	26.2
248.08331	7.6
249.09076	20.9
250.06432	2.6
250.09831	5.7
251.06976	5.8
251.10770	4.4
252.07796	10.8
255.06596	2.9
259.07419	3.2
260.08261	5.1
261.09106	31.0
262.06229	6.6
262.09592	2.7
263.07043	14.3
263.10501	4.2
264.07693	3.0
265.08609	4.7
266.09344	6.8
269.08167	9.7
271.06024	7.2
275.07071	3.9
276.07712	3.3
277.08545	20.7
278.09308	18.2
279.10101	6.1
280.07224	7.1
281.08594	3.0
281.11777	8.6
282.09189	2.8
285.07584	45.2
289.08670	11.4
290.09210	3.3
291.06430	4.5
291.09933	3.4
292.10730	5.5
293.08286	6.7
293.11761	23.0
295.09616	7.3
297.07632	3.1
298.08475	5.3
300.09930	44.1
301.10599	14.6
305.08334	3.1
306.08926	6.5
307.09760	8.5
309.07880	2.8
309.11237	24.4
310.11722	3.4
311.09323	3.6
313.10599	18.8
321.11188	32.7
322.11667	5.2
323.09100	10.2
325.10672	3.3
326.11429	18.7
327.11987	3.7
330.09534	3.0
338.11398	10.9
339.12390	5.7
341.13882	9.7
353.10004	10.2
353.13815	59.6
354.14267	2.6
355.07004	3.2
371.11136	9.9
371.15271	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	371.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45805	3.3
55.01863	8.8
55.05507	8.6
56.96569	3.6
57.03444	3.8
65.03935	5.5
66.20578	3.6
67.05500	16.1
67.44056	3.5
69.03418	6.0
69.07063	11.4
69.38549	33.8
71.09481	3.2
72.71752	3.2
73.71066	3.3
79.05496	31.0
81.03378	4.2
81.07052	49.9
83.08623	5.0
85.02905	9.6
91.05456	14.3
91.05867	9.8
93.07040	17.2
94.04176	5.7
95.04948	13.4
95.08579	19.9
97.02910	6.8
97.06508	5.8
99.08094	4.8
101.06020	3.3
103.05485	5.4
105.07032	17.9
107.04955	31.5
107.08591	10.5
109.06503	6.0
109.10152	10.6
111.04401	8.8
115.05462	11.0
116.06228	5.6
117.07014	3.9
118.02055	3.7
119.04994	4.6
119.08553	10.2
121.06500	6.9
121.10138	10.7
122.03635	11.5
123.04422	16.4
123.08062	6.6
124.05200	5.9
124.14595	3.9
125.05959	4.6
128.06148	7.0
129.06989	17.4
131.04892	5.5
131.08589	15.0
133.02847	7.4
133.10219	8.8
135.08076	8.8
137.05983	100.0
139.03888	5.9
141.06976	5.6
144.05713	14.3
145.06464	5.9
145.08591	9.0
145.10133	5.7
147.04402	7.8
147.06503	4.8
149.05981	8.6
151.03899	12.0
151.07510	6.8
152.04669	5.6
156.05721	22.9
157.06465	12.7
158.07240	4.1
159.08051	23.8
159.11665	8.0
160.05238	6.1
161.05980	10.1
163.03793	5.9
165.05472	5.3
165.07016	4.9
165.12689	5.0
167.07040	88.5
167.08437	7.9
168.08067	4.2
172.05212	5.2
174.06775	6.8
175.07547	17.5
177.05450	9.0
178.07748	4.9
187.07507	30.1
189.06996	8.0
189.09079	12.2
190.06166	4.8
190.07813	7.0
191.07071	7.3
191.08594	8.3
191.14287	8.1
193.05045	3.7
193.08534	4.8
193.10091	4.3
197.06018	6.0
199.07509	5.5
201.09164	6.8
202.06195	8.2
203.08583	13.2
205.06573	8.3
205.08553	8.8
206.07208	7.8
207.06389	4.5
207.08127	5.0
211.07443	4.5
215.08682	6.7
217.08575	64.2
218.07161	16.8
219.08032	8.5
219.10130	8.5
221.09608	9.2
223.07486	7.0
226.06194	5.6
231.08023	12.2
232.08931	4.3
233.05988	7.6
233.09654	18.8
234.06715	15.9
235.07500	14.4
236.08142	5.9
237.05417	4.6
237.09108	5.3
239.07051	16.8
239.20065	10.4
241.08591	15.9
242.05714	5.7
246.06679	9.0
247.07645	6.1
247.09666	26.1
248.08156	4.4
249.09029	21.0
250.09685	5.7
251.07069	11.8
251.10541	5.1
252.07654	9.0
257.07947	7.4
260.08572	4.3
261.09189	27.0
262.06302	4.9
263.07031	16.3
263.10660	7.6
264.07895	6.9
265.08685	5.2
266.09448	7.1
269.08078	7.4
270.09015	4.1
271.06052	6.1
277.08578	31.9
278.09433	13.1
279.06754	4.4
279.10114	10.5
280.07388	5.1
281.11655	10.4
285.07648	38.6
286.08127	4.5
289.08609	10.7
290.09436	4.0
291.06610	6.1
291.10004	5.5
293.08447	6.7
293.11697	21.3
294.08679	6.4
294.11853	4.4
295.09875	5.0
300.09937	44.0
301.10681	14.3
306.09009	9.8
307.09613	13.8
309.07822	5.3
309.11157	23.2
311.09091	5.1
313.10660	14.3
321.11267	42.1
322.11807	4.3
323.09055	10.6
325.11136	5.8
326.11490	14.7
327.11917	4.9
338.11490	6.2
339.12274	12.1
341.13837	10.5
353.13828	47.8
353.27505	5.4
371.11102	8.8
371.14929	30.1
371.19931	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	371.1489
Annotation	Fragransol D
Peak:m/z	Relative Intensity
55.01876	2.7
55.05507	3.1
65.03938	2.5
67.05494	5.4
69.03421	6.3
69.07076	3.4
69.86839	6.6
69.87251	4.5
71.04993	2.5
79.05495	15.8
81.03406	2.7
81.07042	6.9
85.02886	6.3
91.05405	11.0
93.07024	6.0
94.04169	3.0
95.04965	8.4
95.08607	2.5
97.02888	3.4
97.06534	3.2
101.06000	2.3
103.05469	4.4
105.07043	8.8
107.04956	19.8
107.08604	2.6
109.06532	3.2
109.10137	3.6
111.04443	2.8
115.05440	6.7
116.06209	3.7
117.07001	4.1
119.04930	3.7
119.08617	2.5
121.02885	3.8
121.06519	4.5
121.10160	3.8
122.03647	7.7
123.04442	11.5
124.05185	5.3
125.06010	3.6
127.03893	3.0
128.06213	6.8
129.06987	13.2
131.04929	7.0
131.08548	8.8
133.06442	4.1
133.10100	2.8
137.05975	100.0
141.06989	6.2
144.05684	6.3
145.06464	7.9
147.04401	6.2
147.08102	2.1
149.05989	5.3
151.03870	12.4
151.07561	5.6
152.04628	1.9
156.05690	19.9
157.06476	7.2
158.07292	2.4
159.04524	1.8
159.08066	15.8
160.05164	3.1
161.05966	8.7
163.03941	6.5
163.07465	2.8
165.05496	3.9
165.07011	2.1
167.05626	3.9
167.07042	57.5
169.06479	4.1
171.12093	1.9
173.06053	3.4
173.13268	2.4
174.06769	5.6
175.07544	16.1
176.08337	2.5
177.05540	9.3
177.09123	2.3
178.07797	3.4
179.07095	2.2
179.08580	1.9
181.04880	2.9
181.06422	2.9
181.08565	10.1
184.05170	2.2
186.06735	4.6
187.07544	22.6
189.07060	3.7
189.09087	8.1
190.07756	5.0
191.06952	5.7
191.08549	3.7
191.14256	3.6
193.08614	5.9
198.06795	2.0
199.07599	2.6
201.09093	5.9
202.06268	5.7
202.07851	3.3
203.03479	2.5
203.06952	2.5
203.08612	8.0
205.06599	3.3
205.08566	6.7
206.07294	6.8
207.06383	2.3
207.08098	6.6
207.10164	7.6
209.08090	2.4
210.06749	2.7
211.07605	2.8
215.06830	3.9
215.08676	3.9
217.06700	2.2
217.08574	56.0
218.07263	14.3
219.08026	9.1
219.10181	8.7
220.08815	3.2
221.05998	2.7
221.09566	5.8
223.07483	4.5
226.06326	4.2
227.06955	3.1
229.08598	2.7
231.08005	8.6
232.08922	3.6
233.06052	3.2
233.09627	14.8
234.06787	10.1
235.07556	14.4
237.05481	2.3
237.09074	3.4
238.09937	2.2
239.07028	14.5
239.10840	2.0
240.07687	2.3
241.08594	17.8
242.05515	1.9
243.07928	3.6
246.06822	8.4
247.07460	10.6
247.09697	19.7
248.08272	5.9
249.09138	18.0
249.11302	3.3
250.06371	2.2
250.09724	4.4
251.07036	6.0
251.10774	2.7
252.07785	7.5
256.03894	2.0
257.08060	3.2
259.07596	4.2
260.08319	6.2
261.09103	23.7
262.06241	2.9
262.09860	2.5
263.07025	12.4
263.10419	4.0
264.07736	5.2
265.08521	6.1
266.09351	6.4
267.10132	2.4
269.08060	7.6
271.06125	5.8
275.07095	2.6
275.10638	2.5
276.07925	3.1
277.08627	19.0
278.09402	14.5
279.06451	3.4
279.10129	6.5
280.07324	4.3
281.08029	2.0
281.11633	6.7
283.09564	3.6
285.07590	34.1
286.08081	4.1
289.08588	7.8
290.09326	2.7
291.06805	2.8
291.10129	6.2
292.07324	3.0
292.10739	4.0
293.08270	4.4
293.11700	17.9
294.08923	3.4
295.09534	5.0
296.10321	2.1
297.11087	2.4
298.08340	3.6
300.09930	33.3
301.10611	14.3
306.08936	8.5
307.09528	10.3
309.11169	18.4
311.09360	3.2
311.12686	3.5
313.10690	11.5
321.11160	28.0
322.11801	4.2
323.09052	6.2
325.10620	2.8
326.11472	11.0
327.12134	2.2
338.11411	5.8
339.12384	10.3
340.13034	2.6
341.13800	9.9
343.15735	3.4
353.09799	4.1
353.13849	46.3
371.14981	30.8
371.20560	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.9
56.96567	3.2
57.07092	1.8
61.28864	1.3
69.03410	2.1
70.06584	1.5
70.08578	5.1
73.04757	12.5
74.21126	1.6
75.02696	1.3
79.74033	1.4
81.03417	2.1
81.07055	1.2
83.04988	1.8
85.02905	3.5
91.05798	100.0
93.03705	2.6
95.04982	2.1
97.02879	1.6
98.97588	3.5
109.06834	2.6
114.07367	5.1
116.98602	4.0
122.06054	2.2
123.04465	4.1
126.05519	1.4
128.98593	4.0
129.05467	2.4
133.02852	2.7
134.99684	3.4
136.07619	2.0
137.06012	1.7
146.99667	4.6
147.04459	1.7
147.06520	3.0
149.01247	2.8
149.15903	1.5
150.05478	2.4
156.97159	1.5
163.03932	1.4
164.07130	2.2
165.00650	2.0
167.05527	3.1
169.03560	1.7
170.05775	3.8
179.03426	6.9
209.04242	2.5
227.02293	1.6
230.00998	2.9
237.02812	11.0
248.02161	2.3
255.03842	2.1
263.00891	1.7
266.99866	4.8
268.97852	22.0
270.95898	1.8
283.03055	3.7
285.00949	28.2
299.06189	4.6
303.01974	11.7
355.06970	15.3
371.06839	2.4
371.16895	3.1
373.08139	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00690	10.0
56.96568	89.1
57.03439	18.3
61.02906	13.3
61.89109	10.3
69.03430	41.0
70.00816	56.1
70.06587	13.5
73.02920	15.9
81.03403	10.7
82.06590	18.7
84.08135	14.4
84.96027	14.9
85.02902	64.3
87.04458	11.7
91.05835	11.5
97.02892	41.3
98.97580	100.0
100.07663	24.5
109.02904	16.0
111.04480	11.5
116.98621	94.2
119.01924	39.1
121.01695	13.3
127.03928	29.0
128.98602	37.8
130.70148	11.2
131.00153	13.3
131.01938	12.5
134.99661	45.3
135.04475	11.4
136.06184	14.5
137.06003	34.0
143.00130	12.0
146.99669	37.6
147.04416	22.4
149.01169	14.8
157.03564	12.2
158.99690	21.4
161.01183	48.7
161.02979	19.8
163.03957	33.1
164.84038	11.9
165.00706	13.2
166.03925	10.4
167.07095	13.7
173.02983	19.4
177.00809	30.7
179.02318	14.6
185.02956	12.0
191.02481	17.2
201.00635	20.4
208.02953	15.6
210.06190	14.8
219.01866	68.5
219.05159	12.1
223.04802	11.5
226.03926	60.3
226.98688	11.8
228.07236	23.0
233.03369	13.9
235.27609	10.4
237.02814	96.8
239.04256	14.8
244.04921	78.8
245.05130	28.3
262.05884	19.4
263.00873	27.6
265.10217	15.7
270.08304	11.1
309.12735	11.5
311.06366	19.4
315.72049	10.7
353.10352	22.7
371.07611	50.4
371.11108	59.4
389.03897	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52474	4.2
55.01875	35.3
55.05499	5.8
55.50552	4.0
56.96543	6.8
64.44283	4.2
65.03941	4.3
67.05506	20.4
69.83305	18.0
69.83717	9.6
72.92969	3.9
79.05471	12.2
81.03413	4.6
81.07042	13.1
83.04955	5.7
85.02825	4.5
91.05794	12.7
91.49455	4.1
93.07055	5.9
94.53500	4.4
95.04955	6.3
95.08581	17.6
96.02151	5.0
96.67113	3.6
98.97576	4.8
101.06046	3.9
103.05433	6.0
107.04908	6.8
109.10155	4.7
110.44919	3.7
111.04408	22.6
111.08017	4.1
115.05437	12.2
116.98627	9.8
120.08073	4.2
121.10160	5.6
123.04406	11.4
129.11475	4.4
131.04906	6.2
133.06459	10.2
134.99660	6.7
137.05934	15.5
139.03906	11.7
144.05772	5.2
145.06488	11.6
147.04419	7.1
147.06494	9.2
151.03888	11.2
153.05499	4.1
153.06998	5.9
159.07944	4.9
161.05954	16.3
165.05676	4.8
165.06989	21.7
167.03343	8.1
167.05711	6.7
167.07045	25.2
168.05696	4.6
172.05127	6.6
173.06000	12.5
174.06718	5.1
175.07545	9.8
176.06113	4.9
177.00755	6.3
178.07730	7.6
179.08554	4.9
181.06487	14.9
185.05922	8.3
187.07544	8.1
189.05464	18.3
189.07014	6.9
192.05679	4.0
193.06520	11.6
194.07304	13.5
195.08014	5.3
199.07497	8.8
201.05486	14.2
202.06166	6.1
203.07005	6.5
205.06522	14.2
207.08086	7.0
209.05898	9.6
210.06758	12.2
211.07593	10.4
215.06963	8.9
217.08656	8.8
218.07303	5.9
219.08037	9.2
219.10085	4.8
220.05159	6.1
221.05975	22.1
222.06761	12.7
223.07478	16.9
224.08321	6.1
227.06985	11.2
233.05986	5.5
234.06743	16.5
235.07529	24.6
236.08232	6.6
237.02853	6.1
237.05354	12.2
237.09084	21.5
238.06189	10.1
239.06944	14.5
239.20107	14.6
240.07867	6.0
241.08545	9.4
243.06569	6.4
248.08336	5.6
249.05447	18.4
249.09036	13.1
250.06253	12.7
251.07036	19.2
252.07753	15.0
253.08662	24.0
255.06488	7.3
261.05344	7.3
261.09152	10.8
262.06161	10.0
263.07016	34.7
264.07663	6.6
265.04904	15.2
265.08435	19.9
266.05698	7.9
266.09198	7.1
267.06577	8.3
267.10165	7.8
269.08084	8.8
270.52521	5.5
277.05307	4.2
277.08536	21.9
278.05917	8.8
278.08878	6.5
279.06448	17.4
279.09344	5.6
280.07336	24.2
281.08029	25.7
282.08749	4.7
283.06058	6.0
285.01013	10.3
285.07620	8.2
285.10843	8.7
291.06686	6.4
292.07300	6.8
293.04947	6.8
293.08078	65.3
293.11105	6.2
294.08646	9.7
295.06128	6.5
295.09570	22.7
297.07529	8.8
297.11072	4.6
298.08347	4.6
305.08035	5.3
307.09491	16.6
308.06744	19.0
309.07407	20.5
309.10794	6.1
310.08319	7.4
311.09253	6.3
313.10580	20.4
321.07602	9.7
321.10846	8.5
322.08258	57.4
323.09125	100.0
324.09479	5.6
325.07144	7.0
325.10666	13.9
339.11697	9.7
340.09213	12.6
341.10129	86.0
341.13855	9.0
347.13742	15.2
353.10190	25.6
353.13596	7.8
371.10870	9.1
371.14862	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	369.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	11.2
55.05501	41.9
57.03433	38.8
59.51084	11.2
62.31441	10.8
67.05497	100.0
69.07051	33.3
71.59032	15.8
71.59405	11.3
79.05482	64.0
81.07056	96.0
83.08051	10.8
83.08581	23.8
84.01689	12.2
91.05476	49.6
91.27039	11.7
93.07024	80.3
95.08620	70.4
97.06502	12.4
97.10183	16.1
100.56411	10.1
101.01721	10.8
105.07039	48.4
107.08604	56.4
109.10157	33.2
117.07018	11.7
119.08581	32.9
121.10156	40.0
131.07019	12.7
131.08548	29.9
133.10153	28.4
135.11662	28.1
145.10121	25.6
147.11714	34.4
149.13242	17.5
159.11713	28.2
161.13261	27.6
173.13345	15.7
180.06425	12.4
185.13271	12.9
187.14796	27.9
205.15826	21.8
243.93340	11.1
259.20514	25.0
270.86014	11.2
277.21692	58.5
324.54382	11.4
351.25238	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	371.0376
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06596	24.8
70.22227	16.8
70.41032	15.7
70.68341	48.7
84.08153	25.5
96.17347	17.9
136.94023	18.2
255.03447	100.0
341.18958	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	371.0376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14025	13.4
56.96565	49.7
64.07999	14.0
70.06567	20.6
71.08403	12.0
71.51733	23.1
73.04762	30.3
85.85241	13.0
91.05784	84.8
97.02912	12.9
98.97588	61.5
101.58420	14.5
110.97634	21.2
115.88716	13.5
116.98610	29.8
119.19843	13.3
119.61560	11.9
128.98631	34.0
134.99687	28.1
136.06210	15.0
146.99710	18.2
201.00784	18.8
208.96735	14.9
219.01814	41.0
227.00397	34.1
237.02829	100.0
263.00784	25.4
268.97717	24.1
269.01614	19.7
269.26575	11.9
285.00928	22.9
314.14474	16.9
327.20111	13.3
353.03479	52.8
368.24539	12.9
371.03650	43.1
375.87329	12.9
389.03934	61.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48513	11.0
55.05511	38.6
57.03450	13.6
62.48042	9.1
67.05495	100.0
67.90050	9.5
69.07066	26.7
70.02689	57.7
70.57575	10.8
71.08633	48.9
79.05480	58.3
81.03404	16.0
81.07053	65.2
83.04992	19.0
83.08637	22.4
91.05471	49.4
93.07041	46.9
95.04957	33.9
95.08604	57.4
99.08084	56.5
105.07027	23.6
107.08582	32.0
109.10180	28.1
115.21040	10.8
119.08568	12.9
121.10192	13.3
123.11744	18.3
125.09702	12.4
131.00047	14.1
131.08525	11.0
133.10136	18.6
135.11722	20.1
140.98468	17.4
145.05363	10.4
145.10190	10.7
147.11748	14.4
147.83810	9.1
151.11203	60.9
161.01138	9.9
161.13257	25.0
163.11229	13.1
164.07104	14.8
173.11682	16.0
174.99034	18.3
179.14282	14.7
185.00890	11.4
185.13274	12.0
189.00589	17.5
189.11327	28.4
197.75011	10.0
199.02544	12.5
203.02129	20.3
227.12759	13.8
277.21524	39.3
335.25897	10.8
351.25296	34.2
369.15710	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	369.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48513	11.0
55.05511	38.6
57.03450	13.6
62.48042	9.1
67.05495	100.0
67.90050	9.5
69.07066	26.7
70.02689	57.7
70.57575	10.8
71.08633	48.9
79.05480	58.3
81.03404	16.0
81.07053	65.2
83.04992	19.0
83.08637	22.4
91.05471	49.4
93.07041	46.9
95.04957	33.9
95.08604	57.4
99.08084	56.5
105.07027	23.6
107.08582	32.0
109.10180	28.1
115.21040	10.8
119.08568	12.9
121.10192	13.3
123.11744	18.3
125.09702	12.4
131.00047	14.1
131.08525	11.0
133.10136	18.6
135.11722	20.1
140.98468	17.4
145.05363	10.4
145.10190	10.7
147.11748	14.4
147.83810	9.1
151.11203	60.9
161.01138	9.9
161.13257	25.0
163.11229	13.1
164.07104	14.8
173.11682	16.0
174.99034	18.3
179.14282	14.7
185.00890	11.4
185.13274	12.0
189.00589	17.5
189.11327	28.4
197.75011	10.0
199.02544	12.5
203.02129	20.3
227.12759	13.8
277.21524	39.3
335.25897	10.8
351.25296	34.2
369.15710	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	369.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.2
53.03944	6.7
55.01863	2.8
55.05512	27.2
56.05047	1.5
56.96560	3.5
57.03439	40.0
57.07076	2.9
59.04991	5.8
65.03930	4.6
67.05503	91.9
69.07074	23.6
69.81020	5.0
69.81435	4.0
71.04987	31.0
74.06082	1.6
75.04478	2.1
76.05169	1.7
79.05490	70.1
80.09742	1.6
81.03405	2.1
81.07054	100.0
83.04980	6.4
83.08628	15.1
85.06552	5.6
89.06014	2.0
91.05476	51.3
93.07040	74.0
95.04967	11.4
95.08603	76.7
97.06526	7.0
97.10164	6.6
98.21545	1.6
99.08099	6.4
105.06312	2.2
105.07027	39.0
107.04984	1.7
107.08594	49.6
109.06504	4.2
109.10147	31.0
111.08057	5.8
115.07594	1.5
117.07024	11.6
119.08577	29.4
121.10140	38.0
123.08055	5.3
123.11736	8.3
125.09617	3.5
129.06996	4.5
131.08572	18.7
133.10117	21.8
135.07961	1.6
135.11674	22.8
137.09616	3.5
143.08569	4.5
145.10141	15.5
147.11674	18.4
149.09615	3.6
149.13255	12.6
151.11198	4.2
157.10240	3.1
159.11714	9.3
161.13242	7.8
163.11160	2.3
163.14835	4.3
165.12776	3.6
171.11673	4.8
173.13286	14.3
175.14822	5.1
177.12781	3.4
179.14360	1.7
185.13219	2.9
187.14859	10.8
189.16443	3.8
191.14331	3.7
199.14769	3.5
203.17819	1.7
205.15878	5.4
207.17526	4.0
221.19040	3.3
231.08936	3.6
241.19553	2.6
242.02966	1.5
243.09122	1.9
255.09111	2.3
256.53690	1.7
259.20541	11.9
273.10150	3.5
277.21719	12.1
278.53076	1.6
293.21194	1.8
351.18576	4.7
351.25125	9.6
369.19604	11.1
369.26514	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	369.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41836	13.7
53.64883	11.5
55.05496	43.4
57.07058	14.8
60.01922	13.4
66.56596	14.5
67.05502	100.0
69.07066	29.8
71.08623	58.2
71.58828	30.4
79.05482	58.6
81.07073	83.5
83.04970	26.5
91.05465	44.7
93.07038	89.3
95.04942	20.6
95.08593	47.0
95.78070	17.0
99.08105	44.4
105.07025	53.9
107.08582	59.0
109.10154	33.6
109.28617	15.2
119.08578	30.8
121.10148	43.1
125.09662	15.0
133.10158	16.0
135.11703	40.6
143.08624	14.0
149.02396	17.2
151.11150	38.7
161.13295	15.1
164.46820	14.4
169.59108	15.2
173.11952	15.5
177.12781	14.4
179.14272	90.9
181.12262	27.6
277.21564	63.2
351.25317	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	369.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06602	1.0
68.05027	1.7
69.03417	1.7
70.06583	3.6
81.07047	2.5
85.02902	1.6
89.71076	0.8
93.41460	0.7
96.08126	1.4
97.02844	1.3
97.06568	1.5
98.06073	1.6
98.21134	1.0
104.00777	0.8
107.04942	2.0
108.08135	1.2
110.09666	1.6
112.07627	1.2
113.06035	0.8
113.07140	1.6
114.05592	2.0
115.08699	1.2
116.07016	1.1
117.03381	1.4
119.01913	1.0
124.07607	4.5
125.07146	0.8
136.09906	1.0
137.05931	1.0
140.07036	1.3
145.02870	2.5
147.04405	1.0
151.08638	2.0
156.10231	1.8
160.07463	0.9
163.03931	4.6
163.12302	2.0
165.10266	2.4
167.03413	1.7
177.05489	2.5
191.11794	1.0
193.13361	1.8
197.09273	3.2
209.12849	21.3
222.12233	0.9
237.12329	17.9
255.13377	22.1
266.14960	2.0
267.45688	1.0
269.21057	0.9
272.16083	2.0
324.19211	8.3
325.22433	1.3
351.11942	1.4
351.19925	1.7
352.18872	1.4
369.11554	2.9
369.21335	100.0
370.21500	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	369.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02338	1.6
53.03947	1.7
55.01872	2.4
55.05508	13.3
57.03436	1.3
57.07070	4.1
67.05505	19.2
69.03419	6.1
69.07066	10.1
71.05008	2.7
71.08630	13.8
71.59160	2.3
73.06571	1.2
79.05489	16.6
81.07047	23.3
83.04987	6.8
83.08622	5.0
85.02933	1.3
85.06552	3.8
91.05482	14.9
93.07042	26.7
95.04980	11.3
95.08605	15.3
96.05766	3.2
97.02889	12.0
97.06523	7.2
97.10137	1.2
99.08097	6.3
105.07037	9.9
107.08607	9.1
109.06536	10.1
109.07218	1.8
109.10167	6.1
111.04442	18.4
111.08088	3.3
113.06011	4.0
115.19530	1.2
117.07031	2.0
119.08598	7.5
121.06517	13.5
121.10142	15.9
123.04430	3.6
123.08068	2.1
123.11698	3.6
124.05214	4.1
125.06003	2.3
125.09625	1.3
129.07039	1.9
131.08563	13.0
133.10147	5.0
135.08005	2.7
135.11646	2.1
137.05991	1.5
137.09648	1.5
139.11212	2.5
143.08577	1.4
145.10126	2.9
147.08063	2.7
147.11690	3.0
149.09622	13.6
149.13306	1.3
151.07607	1.9
151.11212	2.0
161.09615	2.9
163.11269	1.5
165.12743	7.0
167.10727	2.3
177.12703	1.8
181.12233	100.0
182.12605	1.9
183.90366	1.1
189.16534	1.7
191.14371	3.4
193.12361	1.2
207.17464	2.9
235.16867	3.0
268.60925	1.2
287.23642	1.5
292.26428	1.6
305.24634	2.2
333.24237	11.4
335.25818	4.6
347.95746	1.3
351.25134	6.7
371.46985	1.6
373.43939	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.0
55.05489	8.5
56.96303	3.1
56.96566	52.7
66.74397	1.8
67.05493	7.6
69.07061	4.5
70.24545	3.0
70.24895	7.4
71.95258	5.3
72.96022	5.4
79.05493	5.3
79.61354	1.9
81.03409	2.5
81.07047	8.5
83.08601	3.0
90.87129	1.8
91.05474	3.5
93.07027	7.0
93.62572	1.7
95.04961	1.8
95.08578	4.4
96.05590	1.8
97.06529	1.7
98.21414	2.3
105.07031	3.5
107.08606	3.1
108.27781	1.8
109.10114	2.5
119.08543	2.2
121.10188	1.8
128.98637	3.4
133.10054	2.2
137.05949	2.3
146.99681	6.1
147.11635	2.1
147.79749	1.9
149.13312	2.2
153.89912	1.8
155.03731	2.4
159.11702	2.2
171.03166	2.3
199.06429	6.3
203.05936	4.1
203.45200	2.2
205.03621	2.3
213.07986	11.2
217.07281	13.8
225.08038	5.8
227.09723	2.2
229.07497	4.1
231.09004	22.7
239.09572	7.0
241.11069	10.9
243.09081	8.3
251.09517	6.4
254.78079	1.9
255.09004	16.6
257.10574	11.2
259.12173	25.3
262.05499	1.8
269.10599	49.6
269.17212	2.6
273.10080	13.3
275.11624	2.6
277.21622	2.6
282.13724	2.8
287.11642	29.9
292.12292	5.3
310.13336	4.2
333.17239	6.7
351.18375	20.2
369.19485	100.0
369.29602	3.9
370.19815	3.4
387.20517	73.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.4
55.01873	1.2
55.05509	6.7
56.05029	1.0
58.04084	8.1
60.05632	3.8
67.03869	0.8
67.05505	6.4
68.05025	6.3
69.07053	3.4
70.06611	0.8
72.04520	8.4
72.05640	2.1
74.05663	1.8
74.06081	34.3
76.05137	5.4
79.05491	6.0
80.05018	19.2
81.07066	8.0
82.02889	0.9
82.06552	2.3
83.04980	0.9
83.08608	2.8
84.04522	1.0
85.02911	1.2
85.06509	1.2
91.05466	3.1
93.07059	4.8
94.06571	8.2
95.04961	2.6
95.07335	1.4
95.08621	4.9
96.04490	15.3
96.08103	2.5
97.02925	0.8
97.10141	1.2
98.21548	1.9
99.05589	1.5
105.07043	2.4
106.06535	3.5
106.54962	0.8
107.08569	3.3
108.04467	2.4
108.08121	9.6
108.74309	0.8
109.05319	1.2
109.06556	1.1
109.10136	1.6
110.06036	5.0
113.63357	0.8
116.08216	100.0
118.05010	6.4
118.06528	1.9
119.04950	1.1
119.08574	2.0
120.08116	8.9
121.10135	1.4
122.06007	2.3
122.09665	2.4
123.04420	1.6
123.91624	0.7
124.03960	1.0
124.07619	2.0
131.08549	1.1
133.06409	1.1
133.10216	1.2
136.07573	3.0
137.05956	1.9
138.09134	2.6
145.10153	1.4
147.04379	1.2
147.11674	1.5
150.09126	1.1
160.07187	13.2
164.07098	1.7
164.10710	3.6
164.14345	2.9
165.09180	1.0
174.12721	1.1
175.07497	1.6
175.37057	0.9
191.28101	1.0
192.13844	9.9
199.07578	3.3
202.12331	1.0
207.06517	2.5
208.13367	2.8
210.14890	7.5
219.08096	1.2
220.13300	6.0
224.16493	6.2
229.12146	1.0
230.15395	2.3
232.17014	4.2
238.12105	0.6
238.14389	16.1
247.13359	2.2
248.08244	1.0
248.16400	6.7
250.18028	10.9
259.07770	0.9
263.07120	1.3
266.14676	1.7
266.17514	30.1
266.20316	1.9
268.19073	2.0
279.10315	1.1
283.20029	2.4
292.15442	7.3
307.09552	1.1
310.16504	6.9
311.12842	1.4
323.20654	1.0
325.22342	29.3
337.10645	1.0
339.12247	2.0
369.13718	1.8
369.21411	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21355	0.7
50.65846	0.7
55.05521	4.9
55.49286	0.7
56.96567	33.6
56.96846	1.8
57.45967	0.8
67.05499	2.2
70.71973	2.3
70.72337	0.9
71.08627	1.2
71.95262	3.8
72.96033	2.0
78.48373	0.8
79.05492	1.3
81.07058	2.9
83.08622	2.4
89.61660	0.8
91.05437	0.9
93.07027	1.8
95.08625	1.2
96.87156	0.7
97.06567	1.2
102.31067	0.7
107.08613	0.9
110.89600	0.8
119.08582	1.1
123.01176	1.2
128.98621	2.1
133.10149	0.8
137.02788	1.4
141.02194	1.1
143.00211	1.2
145.01720	0.8
146.99623	3.9
155.03799	2.9
157.01848	0.9
159.03307	1.2
161.01312	1.4
165.00729	1.6
169.05405	1.8
171.03310	1.0
173.04930	2.7
183.06924	1.0
185.04755	1.5
189.04367	2.5
189.08040	0.9
191.05890	1.5
199.06464	4.4
201.04309	0.9
201.08035	0.9
203.05914	3.2
211.06438	1.5
213.07964	7.8
217.07471	7.7
219.09000	2.2
223.10135	1.3
225.07951	2.5
227.05925	0.8
229.07465	11.4
231.09038	14.5
237.07939	1.4
239.09541	4.6
241.11133	5.3
243.09010	5.7
247.08583	14.4
251.09482	5.0
252.09109	1.7
255.09061	3.8
257.07126	1.2
257.10611	4.4
258.07709	1.5
259.12170	8.5
269.10596	37.1
270.10666	2.2
273.10162	2.0
287.11673	22.7
287.14862	1.3
292.12213	4.0
309.17523	1.6
310.13232	1.6
315.16183	1.2
333.17374	12.6
351.18414	28.4
369.19489	100.0
370.19714	2.3
374.20047	2.7
387.20544	28.9
388.20676	0.9
392.21085	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1332
Annotation	Glyasperin M
Peak:m/z	Relative Intensity
53.03949	1.3
55.01875	2.0
55.96716	1.0
57.03430	1.2
59.16924	1.0
65.03951	1.1
67.05501	2.3
68.99796	4.4
69.03439	1.0
69.59628	8.7
79.05494	3.7
81.07030	1.9
83.04981	2.0
85.02934	1.0
91.05479	4.0
95.04970	2.4
97.02875	1.5
97.06567	1.7
98.21484	1.6
103.05474	3.0
105.07055	3.6
107.04958	2.4
111.00806	2.8
111.04440	4.4
111.08147	0.9
115.05469	2.5
116.71221	0.9
117.07023	2.9
119.04895	1.7
119.08642	1.1
122.03684	2.3
123.04429	16.3
128.06264	1.5
129.06139	1.1
129.07024	3.6
130.62454	0.9
131.04944	5.1
133.06499	3.0
135.04424	4.3
135.08028	1.3
137.05183	0.6
137.05975	28.8
139.03900	100.0
140.04330	1.0
141.06979	1.5
142.07808	1.3
143.08536	1.4
145.06471	2.3
145.10126	1.5
147.04408	4.2
149.05949	7.9
151.03911	4.2
151.07503	1.4
153.05487	2.8
153.06827	1.0
155.08553	2.7
157.06497	1.5
158.07266	1.2
159.08099	2.1
160.05211	4.7
161.05980	20.7
163.03911	21.5
163.07521	1.8
165.05482	1.8
167.07053	2.5
167.08514	1.6
168.05766	1.3
169.10143	1.1
171.08012	1.4
173.05978	4.5
173.09660	2.9
174.06738	1.7
175.03947	3.6
175.07591	6.7
177.05511	2.3
177.09099	1.0
179.03395	9.0
181.05006	1.0
183.08075	1.6
186.06770	1.3
187.07603	7.0
189.09135	9.0
191.10625	9.3
195.07990	2.1
197.06004	3.1
197.09657	2.8
197.13412	1.2
198.06682	1.2
199.07567	2.4
200.08345	1.2
201.05487	1.1
201.09106	14.7
203.10660	2.7
205.08638	1.7
207.06436	5.6
210.06839	1.3
211.07504	2.1
213.09129	2.9
214.06238	2.1
215.10626	7.7
217.08598	2.0
219.10162	12.7
225.09085	5.3
229.04993	1.6
231.10178	6.7
239.07063	1.4
239.10551	1.4
241.08549	2.1
243.10184	8.1
249.05356	1.7
267.06744	1.7
267.10019	1.7
271.05795	1.3
279.06738	1.5
282.75403	1.1
283.06036	2.0
285.07642	1.2
295.06000	7.9
307.09631	1.4
308.06955	2.0
309.07590	5.9
313.07172	13.9
313.10660	2.4
321.07623	2.9
322.08423	2.9
323.09106	2.3
325.10736	3.4
337.10657	2.4
351.12323	13.8
351.16083	1.5
369.13364	9.9
369.18805	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	369.1334
Annotation	Glyasperin M
Peak:m/z	Relative Intensity
55.01875	1.1
55.05510	1.1
57.03419	1.3
65.03915	1.9
67.05487	3.2
68.99803	4.4
69.03426	1.9
69.44679	8.4
71.68888	0.9
79.05476	2.6
81.07044	2.4
83.04980	2.1
91.05470	3.3
93.03397	1.9
93.07046	1.3
94.04200	1.2
95.04964	2.3
97.02927	1.0
97.06535	1.8
101.82050	1.0
103.05459	3.0
105.07018	3.3
107.04944	1.9
107.08553	1.0
111.00773	2.4
111.04440	4.2
111.05130	0.9
111.41466	1.0
115.05437	1.7
117.07047	1.7
119.04930	2.8
119.08562	1.1
121.02885	1.0
122.03658	3.6
123.04433	11.2
123.08129	1.0
127.03929	1.4
128.06264	2.0
129.06995	2.3
131.04926	6.3
131.08527	1.2
133.06473	3.2
135.04427	3.0
137.05977	35.1
139.03899	100.0
140.04250	1.1
141.07030	1.6
143.04861	0.9
143.08588	1.6
144.05690	1.1
145.06506	2.9
145.10114	1.1
147.04410	4.2
147.07977	1.2
149.05971	8.1
151.03883	3.4
151.07564	1.7
153.05489	2.3
154.07661	1.1
155.08521	1.9
157.06508	3.1
159.08070	2.6
159.11548	0.9
160.05186	3.8
161.05988	24.8
161.09659	1.3
163.03899	19.9
163.07474	1.2
165.05553	0.9
165.06998	1.8
167.07048	3.1
167.08504	1.8
168.05756	1.4
169.06444	1.3
169.10036	1.0
171.08083	2.1
173.05962	3.5
173.09619	2.1
174.06792	1.1
175.03918	3.3
175.07515	6.3
177.05505	1.5
179.03395	10.2
179.08545	1.8
180.81133	1.0
181.06573	0.8
183.08070	1.2
185.05865	1.6
185.09621	1.0
186.06775	2.2
187.07523	7.6
187.65965	1.0
189.05544	1.4
189.09117	11.8
191.10658	7.9
194.69955	1.1
197.06035	1.6
197.09666	2.1
199.07518	2.6
200.08240	1.5
201.09099	10.1
203.10654	2.6
205.08543	1.2
207.06436	4.5
210.06712	1.3
211.07495	1.5
213.09116	4.0
214.06274	1.2
215.07112	1.2
215.10612	5.8
219.10126	11.4
224.08124	0.9
225.09122	5.7
229.04898	2.5
231.10185	5.1
231.65384	0.9
235.07759	1.1
243.10178	7.8
249.09126	1.2
263.07257	1.3
267.06577	1.7
267.10046	1.7
277.08624	1.0
278.12119	1.2
279.06549	1.3
283.06061	1.5
284.06903	1.0
291.10367	1.2
295.06113	6.7
295.09222	1.6
305.08261	1.5
307.09741	1.4
308.06851	1.0
309.07623	5.2
311.05475	1.1
311.08911	1.2
313.07098	10.9
313.10480	1.2
319.72086	1.1
321.07706	1.7
322.08411	3.1
323.09192	1.8
325.10577	4.5
339.12381	1.7
351.12225	12.0
351.16083	2.3
369.13275	13.6
369.18616	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	369.133
Annotation	Glyasperin M
Peak:m/z	Relative Intensity
51.00529	1.6
55.01870	3.0
55.05511	3.0
57.03413	1.6
65.03934	2.4
67.05494	5.0
68.99787	4.6
69.03422	5.9
69.07059	2.8
69.27175	16.8
79.05495	4.1
81.03400	3.9
81.07050	5.4
83.04963	1.6
85.02892	3.4
91.05484	15.7
93.07042	3.7
95.04989	2.6
95.08602	2.1
97.02871	2.8
97.06566	2.8
105.07024	3.7
107.04951	2.1
107.08572	1.8
109.02863	2.2
109.06525	2.5
111.00768	3.2
111.04440	5.1
115.05417	2.7
119.04944	14.8
119.08656	1.8
119.33099	1.5
121.06493	1.8
123.04433	13.3
127.03888	2.8
128.06244	1.6
131.04953	5.4
131.08626	1.8
133.06430	1.9
135.04399	3.3
137.05992	4.8
139.03900	100.0
140.04262	1.6
143.08568	1.7
145.06476	4.5
145.10129	2.7
147.04419	14.8
149.05994	7.9
151.03912	3.8
153.01749	2.3
153.05473	3.4
157.06464	2.2
157.10162	1.9
159.08142	2.1
160.05194	3.3
161.05977	9.8
163.03900	22.7
165.05515	1.5
167.03342	1.5
167.07037	5.8
167.08397	1.8
169.10196	1.5
173.05984	5.1
173.09622	2.2
174.06766	2.2
175.03918	20.3
175.07552	5.7
177.09074	2.2
178.06229	1.9
178.07701	1.9
179.03416	8.9
179.08640	2.5
181.05052	2.1
183.08081	2.3
183.23154	1.6
187.07570	5.5
189.05481	4.1
189.09131	7.0
191.10620	5.2
195.08073	3.3
197.05919	2.9
197.09685	2.2
199.07562	3.7
201.05519	1.9
201.09093	9.2
203.10616	2.3
207.06503	32.3
213.09106	3.1
215.07062	2.6
215.10677	6.3
217.08659	2.5
219.08228	3.1
219.10095	10.1
221.06088	2.5
225.09148	3.6
229.04878	2.5
231.08087	3.5
231.10257	4.8
234.06758	1.9
243.10242	8.5
249.05394	2.8
251.06911	1.5
267.06439	2.5
276.07983	3.1
279.06485	3.3
295.06061	12.8
295.09250	2.9
307.09848	2.0
308.10529	1.7
309.07635	2.9
309.11072	2.0
313.07077	23.5
313.10638	2.8
322.08401	3.5
325.10666	2.8
337.10699	9.4
351.11865	11.4
369.13312	18.7
369.18723	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	369.1332
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
56.16051	4.9
56.72642	4.4
65.03944	23.1
67.05510	7.6
69.34303	40.3
69.34715	9.5
82.04211	5.3
91.05482	9.8
92.65602	5.2
93.03388	5.8
95.01311	5.9
95.04962	7.5
98.21532	7.9
107.04954	7.3
110.03653	16.3
111.04450	18.8
115.05450	6.2
119.08585	5.3
123.04411	9.3
123.24285	4.2
125.05991	16.1
128.06197	8.8
131.57784	4.2
141.06992	5.0
144.05710	4.9
145.06459	7.9
147.04428	4.7
147.81433	4.6
153.05455	55.0
159.08093	11.6
161.06017	5.6
165.07095	5.9
169.06528	8.5
175.07535	23.6
178.07813	5.9
183.06606	7.2
184.05215	11.9
185.06010	14.0
187.07478	5.3
190.07777	5.0
191.08466	8.1
193.06526	4.4
199.07542	81.6
205.06520	7.2
206.07327	7.0
207.08150	9.3
208.09097	4.4
214.06194	5.6
216.07816	20.0
218.07300	12.5
219.07997	23.3
220.08820	12.2
221.06001	7.2
229.08630	12.8
234.06761	9.7
235.07533	23.7
236.08261	19.4
237.09134	8.1
238.06387	4.8
246.06622	7.5
247.07567	10.1
248.08319	6.0
249.05354	5.1
249.09198	10.9
250.09769	5.9
251.07042	9.2
251.10666	33.3
259.07654	6.8
261.09079	5.5
263.07080	14.5
264.07770	36.3
265.08594	18.6
275.06787	6.4
277.08603	12.5
278.09430	12.3
279.07419	4.0
279.10037	26.8
280.10620	5.6
281.08127	17.7
283.09552	5.4
291.10049	5.2
292.07291	8.6
293.08124	18.4
294.09088	6.6
295.09650	5.2
296.10464	5.1
306.08804	5.1
307.09634	76.7
308.10303	12.5
309.07797	5.6
309.11179	10.2
311.09235	8.2
311.12732	61.6
319.09625	7.5
324.09833	12.6
337.10687	27.7
339.12311	100.0
340.12372	6.4
341.13821	7.6
351.12213	6.7
369.13391	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	368.2795
Annotation	(5Z,8Z)-tetradecadienoylcarnitine
Peak:m/z	Relative Intensity
50.35926	1.9
55.05507	5.3
60.04525	60.0
61.94392	1.7
62.12139	1.7
67.05504	19.3
69.07060	4.8
69.41797	1.7
71.58990	3.2
79.05460	4.7
81.07061	18.4
83.08599	3.9
88.04000	19.5
91.05466	4.3
93.07042	5.9
95.08620	17.2
97.10123	2.3
105.07036	2.6
106.05029	100.0
109.10139	5.5
119.08652	2.1
121.45867	2.0
123.11732	3.0
133.10081	2.8
147.11743	2.2
161.13232	2.0
198.13382	2.1
237.70811	2.0
245.22601	4.1
263.23758	3.4
309.97867	2.0
328.23080	1.9
368.28027	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81708	0.6
56.80761	0.7
56.87447	0.6
56.96564	100.0
57.71139	0.7
59.14124	0.7
70.49889	2.8
71.95263	1.6
72.96052	3.6
74.97609	1.5
83.97625	1.7
84.04461	0.8
98.21452	0.7
101.98653	0.7
120.08102	1.3
124.12032	0.8
153.01819	1.7
162.97876	1.0
167.03806	2.1
176.03838	10.8
178.05411	11.3
181.01759	1.7
183.03238	4.0
192.03340	1.6
194.04910	10.0
194.06595	1.1
195.03349	1.0
196.06465	16.7
196.08194	0.6
197.01260	0.8
199.02765	1.3
201.04358	8.4
204.03247	3.9
208.02872	2.9
210.04381	2.4
222.04373	42.6
223.04643	0.9
226.03889	4.2
240.05437	54.7
245.06007	3.1
263.07086	1.7
324.08966	1.4
351.10007	3.4
369.11212	28.5
387.12225	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	368.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	4.1
55.05514	6.8
57.03421	1.1
57.07076	12.5
67.05504	6.5
69.07068	8.8
70.79524	2.9
71.04970	1.3
71.08283	1.6
71.08634	17.1
79.05486	3.3
81.07056	12.4
83.01339	4.4
83.04957	3.1
83.08619	4.7
84.04523	1.4
84.08146	7.8
85.02903	8.4
85.06517	1.9
85.10181	6.7
86.09218	1.3
86.09705	20.2
88.03990	4.7
88.78667	0.8
93.07045	5.7
94.06620	1.2
95.08610	13.1
97.06521	6.3
97.10156	2.3
98.09695	7.5
98.20859	1.1
99.08031	0.9
105.06999	1.2
107.08607	4.6
109.10145	1.8
111.04420	1.0
111.08067	8.7
112.03985	0.9
113.06022	1.3
119.08569	1.7
121.06453	1.4
121.10122	1.5
121.40961	0.8
125.05994	4.5
125.09650	2.2
127.07565	1.8
131.08571	1.9
135.11687	3.4
137.13242	2.5
139.07541	4.5
140.10652	2.3
153.09140	2.3
153.12663	1.8
155.14301	11.6
181.15935	4.6
191.14342	1.4
197.15363	2.1
209.15396	10.0
210.15645	1.0
211.16956	3.6
226.17955	2.3
238.18057	7.5
252.19623	3.7
254.17482	3.0
266.17572	2.9
276.23184	3.2
294.24286	27.9
295.24615	1.4
322.23764	100.0
323.24066	4.2
357.31140	1.1
368.24344	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	368.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25597	0.8
55.01867	3.7
55.05505	5.7
57.07074	11.3
67.05505	6.5
69.03422	1.9
69.07069	9.7
70.46053	0.8
70.79627	1.6
71.04979	1.3
71.08628	15.9
79.05492	2.5
81.07059	14.2
83.01335	3.9
83.04964	3.4
83.08631	6.3
84.04501	1.4
84.08154	9.3
85.02898	9.9
85.10184	8.1
86.09706	25.7
88.03989	5.2
91.05460	1.0
93.07048	5.3
95.08601	13.3
97.06519	7.7
97.10174	2.7
98.09690	8.2
105.07029	1.2
107.08587	3.7
109.06514	1.5
111.04442	2.0
111.08080	8.1
112.03969	1.6
114.22827	0.8
117.07033	0.8
119.08555	1.2
121.10136	2.0
122.09728	0.9
125.05988	3.9
125.09623	3.0
127.07541	1.3
135.11710	3.2
137.09567	0.9
137.13237	1.1
138.09157	1.1
139.07559	3.8
140.10710	3.2
153.09123	2.8
153.12770	1.2
155.14305	10.8
163.14932	1.1
181.15898	5.3
189.81500	0.9
191.14294	1.6
197.15390	2.7
209.15353	11.2
211.17009	3.8
220.16859	0.9
226.17975	1.4
238.18050	7.1
252.19644	4.5
266.17477	2.9
276.23254	1.6
294.20898	1.7
294.24271	26.3
294.27405	1.7
295.24542	1.3
316.96289	0.9
322.23761	100.0
323.24164	4.9
368.24365	16.2
369.24872	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	6.4
55.05511	32.0
56.05013	5.3
56.96561	32.4
57.03417	7.3
57.07051	5.5
58.06583	8.0
59.18672	3.9
60.04521	36.5
66.59338	3.2
67.05500	29.6
69.03413	6.6
69.07055	20.4
69.92616	21.7
71.04984	12.3
79.05491	29.1
81.03381	5.0
81.07050	25.8
83.04994	4.0
83.08614	11.5
84.08136	11.0
85.06517	4.1
86.09694	42.7
88.07603	5.7
91.05466	17.9
93.07045	24.6
95.04959	11.3
95.08585	14.4
97.06490	5.1
97.10162	19.9
99.61949	3.1
105.07037	12.2
107.08566	12.1
109.06450	6.9
109.10138	10.7
110.06019	6.3
112.07595	34.9
113.06018	5.8
116.98598	3.6
117.07085	5.9
119.08584	7.1
121.10143	12.8
122.09659	6.0
123.08070	5.5
125.09615	18.1
128.10719	43.7
130.08606	5.5
131.08554	6.6
135.08061	9.1
138.12602	4.3
145.10075	3.8
146.99728	4.4
147.11676	4.5
149.09625	4.7
154.08633	13.2
154.12224	12.2
172.09677	13.7
172.13303	7.2
180.13817	16.3
189.11211	8.3
196.13324	10.0
212.20168	3.0
231.09026	3.5
262.11948	5.4
273.18472	10.7
278.11426	4.3
279.12643	7.5
280.13022	39.5
290.21115	13.2
291.19519	11.9
297.13647	10.1
298.14041	40.0
303.14407	3.9
308.22198	14.4
321.15775	4.5
332.16074	8.7
332.21985	3.9
338.10779	3.2
350.17157	29.4
350.23288	19.2
351.08511	3.3
368.18246	21.3
368.24289	100.0
369.13895	3.2
369.24750	4.7
386.19284	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	368.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03458	2.0
54.76083	0.7
55.01869	0.8
55.05499	1.7
55.68579	0.5
56.05024	1.1
56.48792	0.6
57.07074	4.3
67.05502	3.1
67.05798	0.5
67.16531	0.5
68.05015	0.9
69.07057	2.5
71.08629	4.7
71.11235	1.4
72.04523	0.9
79.05481	1.9
80.05000	2.5
81.03398	0.6
81.07053	3.8
82.02918	3.7
82.06591	2.8
82.38490	0.5
83.08612	1.1
84.04455	0.9
84.77702	0.5
85.10171	2.3
87.00449	0.5
90.91850	0.5
91.05476	0.9
91.29983	0.5
93.07047	1.9
94.06549	2.5
95.08588	3.6
96.04476	3.1
96.08101	0.7
97.10194	0.7
100.03976	5.3
102.34615	0.5
105.07004	0.7
106.19514	0.5
107.08605	1.0
108.04446	1.3
109.10135	1.1
110.06022	1.2
119.08512	0.5
126.05521	4.4
133.10046	0.6
134.47508	0.7
136.03949	1.9
140.07069	0.8
154.04990	8.3
168.06529	1.9
180.03966	0.7
182.04471	7.3
195.06398	0.7
198.18523	7.5
199.16855	1.3
206.18979	0.9
208.16949	8.1
229.07465	0.6
236.72803	0.7
254.17502	3.4
262.18011	1.2
280.19095	1.6
307.20190	1.3
308.18533	100.0
309.18890	2.5
327.71292	0.6
350.20615	1.5
351.19101	3.1
368.21945	1.1
369.19681	0.8
387.20715	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.7
55.01854	4.3
55.05522	19.8
56.05022	13.3
57.03428	4.0
57.05803	3.1
60.04535	15.5
65.03933	3.5
66.89101	3.6
67.05512	40.9
69.03419	5.0
69.07068	34.1
70.06595	5.5
70.15000	11.4
70.15418	5.7
71.04992	8.7
71.08657	4.0
72.04517	40.8
78.93115	2.8
79.05502	34.4
80.05013	28.6
80.06271	3.7
81.03433	24.5
81.07058	44.1
82.06570	7.0
83.08606	9.2
84.04498	15.7
85.06548	6.0
91.05072	2.8
91.05490	32.3
92.04996	4.7
93.07045	35.7
94.06553	10.9
95.04979	21.5
95.08616	34.1
96.08877	3.3
97.06520	6.8
97.10182	6.7
98.06030	6.0
99.08144	3.4
105.07041	20.3
106.06554	6.3
107.04939	7.2
107.08594	15.0
108.08116	5.2
109.02872	3.3
109.06518	7.8
109.10146	13.4
110.06025	6.3
110.10504	3.5
111.04428	3.6
111.08091	3.5
117.07012	12.1
119.08593	19.5
120.08101	4.9
121.06505	8.7
121.10125	12.5
123.04414	12.2
123.11658	4.0
129.06989	3.9
131.08597	18.3
133.10123	12.7
135.08075	5.8
135.11690	7.1
137.09627	5.0
141.06905	5.7
145.10115	11.5
145.55594	3.4
147.08104	4.0
147.11656	8.1
149.09581	10.6
154.12274	16.4
159.11734	9.5
161.13310	4.5
167.10677	9.7
169.10103	4.3
172.13333	12.7
173.13208	3.3
176.14355	4.8
184.16960	21.4
185.68324	3.5
187.11223	6.2
194.15413	9.8
202.18065	32.3
204.13818	34.7
205.12323	8.1
208.13268	4.4
212.16455	5.4
222.14882	46.6
223.15283	3.8
240.16002	16.8
257.19077	6.7
274.21735	6.8
275.20038	18.7
276.20251	6.4
280.19077	13.5
282.17026	100.0
283.17554	4.2
290.21124	5.3
292.22711	31.8
294.21548	18.9
327.25211	3.4
348.27017	3.5
350.22549	3.2
368.24258	36.9
369.24271	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	368.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.01844	0.8
55.05503	1.8
57.03432	1.6
59.04992	0.8
67.05482	1.0
68.05026	1.1
69.03419	2.8
69.07059	1.4
71.57903	0.7
71.58356	1.3
79.05510	1.8
81.03384	1.2
82.06570	5.7
84.08122	0.8
85.02888	4.5
86.09705	1.0
87.00839	0.8
91.05482	4.4
93.07040	2.1
94.06562	1.5
95.04958	0.8
97.02875	1.4
100.07612	8.6
103.05473	0.7
105.07044	5.6
107.08603	14.2
109.02870	1.3
109.06487	1.0
111.04436	0.9
115.05441	1.1
117.05741	1.1
117.07021	1.2
118.06580	1.2
119.08589	8.9
120.08094	6.9
121.10158	2.3
123.04461	1.7
127.03903	1.7
128.06224	2.3
129.07007	1.4
130.06505	2.2
131.07298	4.0
131.08571	1.8
132.08081	4.9
132.18365	0.7
133.08862	2.4
133.10112	3.7
134.09619	1.2
136.07576	1.0
139.03880	2.1
141.06989	2.2
143.07416	0.9
143.08578	2.3
144.08087	5.5
145.02827	1.1
145.08832	2.9
145.09979	1.2
146.09642	7.9
147.11711	10.6
148.12361	0.8
149.13193	1.1
150.09123	2.1
156.09358	7.7
157.10095	1.3
158.06039	2.1
158.09657	14.5
159.09261	1.4
159.10455	11.2
159.11700	1.7
160.09723	1.7
160.11217	2.7
161.13240	1.9
167.06990	0.8
171.10339	1.2
171.11604	3.8
172.11154	5.2
173.11990	9.5
173.13290	2.6
174.12796	18.5
174.14252	1.1
175.08644	1.4
176.10634	1.2
188.14362	16.3
189.15076	2.6
203.08286	0.8
206.15401	100.0
207.06529	1.2
207.15811	1.6
221.09229	2.5
246.73170	0.8
248.05609	0.7
312.63541	0.7
368.16827	2.4
368.20837	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18205	0.8
53.25372	0.9
53.72065	0.9
55.01871	1.9
55.05499	1.6
57.03442	1.4
57.07079	1.1
67.05495	2.3
68.05029	1.5
68.99758	0.7
69.03417	3.2
69.07072	1.1
70.06599	1.4
71.58331	1.2
73.02949	1.0
79.05502	4.2
81.03441	1.3
81.07048	1.6
82.06573	7.4
82.10406	0.9
83.04991	1.4
83.08624	1.0
84.08139	0.9
85.02913	6.8
85.06532	1.7
86.09744	1.9
88.03998	1.8
91.05474	5.9
93.07048	1.9
94.06596	2.5
95.01324	1.1
95.04938	1.3
95.08607	1.8
97.02894	2.1
100.07611	12.7
103.05430	1.3
105.07044	5.7
107.08593	19.9
109.02870	2.7
109.06506	2.0
117.07014	1.0
118.06548	1.7
119.08591	6.0
120.08118	2.2
120.99567	1.1
121.10107	1.6
123.04414	2.7
125.02316	0.9
127.03905	2.6
128.06235	1.2
130.06500	1.3
131.07323	3.0
131.08591	2.3
132.08087	3.7
133.08910	2.4
133.10118	4.5
135.04439	1.2
135.11705	1.2
136.07567	1.1
138.02229	1.4
141.06953	2.0
143.08534	2.4
144.08084	6.4
145.08882	2.4
145.10109	1.4
146.09645	7.7
147.04446	1.6
147.10463	1.4
147.11674	8.6
149.13245	0.9
150.09132	3.0
155.08708	1.0
156.08147	1.4
156.09335	8.3
157.10115	1.1
158.09650	14.2
159.10464	8.8
159.11708	1.4
160.09685	3.7
160.11098	4.2
161.05891	0.9
161.13277	2.0
162.09145	1.1
163.03912	3.4
169.08479	0.9
171.11697	3.2
172.11220	3.7
173.11992	8.7
173.13309	3.5
174.12769	17.0
177.12758	1.0
180.10187	1.5
186.12910	1.2
188.14354	12.9
189.15146	1.6
191.13020	1.0
206.15398	100.0
207.15735	2.7
208.09714	4.0
211.09619	1.2
227.10985	1.2
231.05360	0.9
245.12129	2.0
256.35376	1.1
282.15375	1.2
297.58066	1.1
319.12906	2.3
324.11459	1.8
368.16867	2.9
368.20740	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.6
55.01873	5.4
55.05508	21.2
56.95872	2.6
61.02910	6.6
63.98375	3.8
69.03419	20.1
69.82898	9.2
69.83287	7.5
73.02924	6.3
81.03422	9.4
81.07084	4.5
82.06605	5.0
83.08628	7.1
85.02900	62.5
87.00829	37.5
91.05475	11.1
92.64186	3.4
93.07046	14.7
97.02888	23.1
98.09704	6.2
99.04462	4.6
100.11254	17.6
103.05466	6.5
105.01869	48.7
106.04683	3.2
109.02894	14.7
119.04978	3.5
121.06499	100.0
127.03902	38.6
139.03912	5.5
145.04980	16.7
159.02899	6.2
168.13876	14.9
182.15363	7.1
186.14958	9.8
199.01695	3.6
202.99542	3.9
207.06432	3.9
231.04990	11.1
245.63046	4.6
306.20627	64.8
339.11926	3.9
350.23349	11.7
358.71503	15.5
359.21323	15.8
367.72064	31.8
368.21671	22.3
368.72021	10.8
369.13434	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	367.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12421	6.8
53.03936	11.8
55.05504	34.3
57.03442	7.1
57.07055	9.1
67.05510	57.6
69.03426	10.8
69.07070	37.4
70.63549	24.0
79.05491	42.3
81.07066	57.1
83.04964	9.4
83.08606	17.3
91.05481	57.8
93.07040	77.9
95.04967	36.3
95.08611	64.2
97.06584	12.7
98.20604	6.1
105.07033	100.0
107.08585	62.2
107.79346	6.8
109.06525	20.5
109.10165	41.7
111.08090	10.1
117.07023	25.2
119.08586	91.5
121.06547	11.9
121.10158	50.0
121.50311	6.4
123.08139	10.2
123.11700	20.4
128.06218	9.2
129.06995	14.0
130.07767	7.7
131.08565	73.0
133.10135	66.7
135.08066	15.7
135.11702	25.2
141.06950	8.2
142.07774	25.3
143.08548	43.6
144.09354	9.6
145.10114	77.6
147.08047	10.6
147.11694	25.6
149.09616	16.5
155.08525	11.6
156.09358	12.7
157.10110	67.9
158.10686	9.1
159.11707	35.7
161.09602	46.3
161.13255	11.5
163.11252	7.6
169.10144	25.8
171.11699	25.8
173.13278	25.8
175.11317	8.9
175.14767	16.8
179.08592	9.3
181.10117	8.1
183.11732	29.7
185.13307	21.3
187.14897	14.9
197.13327	9.3
199.14816	10.7
209.13312	26.8
211.14923	14.2
227.14304	10.2
293.21112	19.7
317.82602	6.9
349.25259	9.7
367.26059	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	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	5.3
55.01876	24.4
55.05516	41.8
57.03432	11.7
57.07068	9.8
62.85346	4.7
67.05169	7.9
67.05505	100.0
69.03425	6.7
69.07053	20.9
70.14821	25.8
71.04955	7.0
71.08622	9.8
79.05495	57.2
81.03409	13.8
81.07059	81.6
83.04991	23.3
83.08611	22.4
85.06544	8.1
91.05478	71.1
93.07043	45.8
95.04958	23.6
95.08600	43.1
97.06483	6.7
98.21458	5.1
99.08084	8.3
105.07032	53.2
107.04961	17.1
107.08587	48.3
109.06525	10.3
109.10155	42.0
114.14420	4.8
117.06999	8.1
119.08563	19.6
121.06498	8.3
121.10118	9.0
123.08089	6.3
123.11717	7.9
125.09621	10.8
131.08588	13.1
133.10135	70.0
135.11693	15.4
137.09604	9.9
145.10101	13.2
147.11699	6.9
151.11177	44.7
163.11172	11.7
169.12253	6.2
177.12796	7.1
223.85077	5.1
229.19620	5.9
242.96399	5.4
275.20004	18.3
286.92657	6.2
293.21228	7.3
327.33099	4.9
349.23926	6.9
367.24725	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	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.7
55.01875	25.5
55.05510	36.2
56.96571	5.7
57.03434	19.3
57.07080	4.6
60.91845	2.2
65.03941	5.0
67.05508	72.1
69.03425	3.7
69.07072	40.5
70.06594	2.6
71.04689	4.2
71.05021	5.0
71.08613	2.9
75.02194	2.5
79.05493	75.9
81.03417	7.8
81.07058	99.6
83.04978	8.3
83.08608	18.3
85.06535	4.5
91.05476	54.6
93.07047	59.2
94.07391	2.7
95.04988	18.0
95.08055	4.2
95.08607	48.9
95.22275	2.8
97.06528	30.2
97.10167	10.9
99.08088	4.8
103.05394	3.3
105.07029	62.6
106.69427	2.8
107.04957	24.7
107.08600	42.3
109.06519	14.0
109.10160	30.1
111.08082	8.0
115.05463	4.6
116.23177	2.8
117.07018	14.0
119.08584	40.8
120.08942	2.6
121.06504	9.5
121.10140	24.4
123.08060	8.5
123.11691	8.0
125.09631	11.6
129.06996	6.2
131.08569	30.3
133.10126	34.6
135.08037	7.9
135.11676	13.5
137.09615	9.3
139.05992	2.5
139.07480	3.0
139.11113	2.8
141.06728	2.8
143.08589	5.8
145.10130	29.2
147.08028	3.0
147.11687	26.2
149.09616	40.9
149.13240	7.6
151.11165	7.1
153.09094	3.6
157.10146	7.1
159.11703	16.4
161.09639	2.9
161.13257	10.2
163.03897	2.5
163.11227	16.5
163.14854	3.3
165.12781	6.8
171.10274	3.5
171.11646	6.0
173.13269	10.0
175.11130	5.0
177.12711	8.5
179.14319	4.1
187.11197	3.5
187.14857	4.3
189.11234	7.7
197.13277	3.7
205.12225	3.2
229.19518	5.7
239.17963	4.3
247.20522	9.5
257.19034	16.7
275.20059	100.0
276.20416	8.8
293.21100	7.4
305.04437	5.1
328.83600	2.9
335.09235	3.0
337.07147	13.5
349.23810	26.0
360.29144	3.8
367.11774	54.6
367.17227	3.8
367.18011	3.5
367.24985	17.5
368.12006	7.4
368.24295	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	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.0
55.01872	10.7
55.05509	26.8
56.96552	2.3
57.03443	18.2
57.07069	2.8
60.04515	2.2
65.03938	3.7
67.05505	61.5
69.03425	7.0
69.07070	25.5
71.04991	6.1
71.08607	1.5
71.33126	3.8
78.98522	1.3
79.05492	47.9
81.03416	4.7
81.07057	100.0
83.04980	9.7
83.08613	14.0
85.02907	1.8
85.06563	3.6
86.09698	5.0
91.05477	38.0
93.07038	38.3
95.04974	13.3
95.08599	35.8
97.02890	1.5
97.06535	13.3
97.10166	5.2
99.08081	3.5
103.05454	1.5
105.07027	39.5
107.04921	8.0
107.08593	28.3
109.06529	13.0
109.10147	16.7
111.08078	6.7
112.07607	3.7
117.06984	10.5
118.07331	1.6
119.08579	31.2
120.78320	1.7
121.06509	6.1
121.10134	21.3
123.08062	7.4
123.11691	9.8
125.09634	5.6
128.10716	6.8
129.07010	5.1
131.08569	13.7
133.06482	1.7
133.10124	27.2
135.08040	5.7
135.11699	11.0
137.09618	5.9
142.52730	1.6
143.08533	3.6
145.06456	1.8
145.10123	15.1
147.11700	19.1
149.09621	9.3
149.13269	7.9
151.11200	5.7
155.08559	2.7
157.10124	6.0
159.07964	3.4
159.11688	9.0
161.09587	2.9
161.13261	2.7
161.94238	1.6
163.11174	9.2
165.12772	6.8
169.10121	2.7
171.11664	2.9
173.13264	4.7
175.11226	2.2
177.12727	3.9
180.13824	2.5
183.11710	2.0
185.13269	1.6
189.11186	3.1
189.12746	1.5
191.14360	2.2
197.13286	2.2
213.16463	1.8
223.13094	1.6
229.19484	2.9
235.16718	2.2
239.17845	1.7
245.19014	1.8
247.20551	4.5
251.20178	1.7
257.19031	5.9
269.17569	3.6
275.20065	36.6
276.20551	1.5
285.16370	1.9
293.21042	2.5
308.22556	1.7
349.23834	8.2
367.11783	9.5
367.24979	14.9
368.24368	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	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.4
55.01876	31.1
55.05266	4.7
55.05511	56.3
55.29337	3.6
56.96559	6.9
57.03431	24.2
57.07073	3.6
57.38580	3.9
61.02924	5.3
62.15605	3.4
65.03933	4.3
67.05507	69.1
69.03415	11.1
69.07067	39.6
70.06583	8.5
71.04975	6.3
71.59586	6.1
73.02917	4.1
79.05490	87.8
81.03402	12.8
81.07057	98.7
83.04978	11.5
83.08611	20.6
85.02898	6.4
85.06534	5.9
91.05479	70.5
91.10233	3.6
93.07051	66.1
95.04955	23.1
95.06084	3.6
95.08613	52.6
97.02856	5.5
97.06527	33.8
97.10176	19.8
98.06870	4.3
105.06392	4.5
105.07034	60.5
107.04950	31.7
107.08601	58.6
109.06525	12.8
109.10138	24.1
111.08078	9.6
116.06314	3.7
117.07018	21.4
119.08598	36.3
121.06501	11.0
121.10132	25.6
123.04495	5.4
123.08041	8.1
123.11679	8.2
125.09628	14.0
128.06169	5.3
129.06975	15.1
131.04956	6.5
131.08586	30.6
133.10135	37.2
135.08066	11.4
135.11697	13.3
137.13268	4.4
141.06992	4.3
143.08559	12.8
145.06459	10.9
145.10107	28.5
147.08052	4.0
147.11668	21.0
149.09625	51.4
149.13206	4.8
151.11122	4.6
155.08502	7.3
157.06396	6.5
157.10094	12.4
159.08041	6.3
159.11685	18.9
161.09607	5.1
161.13246	5.7
163.11169	17.0
165.09163	4.3
165.12718	7.0
169.10130	6.1
171.08043	5.1
171.11673	5.3
173.13220	9.7
177.12813	7.1
187.11128	5.3
189.11203	16.7
191.03476	5.2
195.13895	4.5
197.13156	6.0
219.17421	4.0
227.12646	7.3
229.19519	8.0
239.17903	8.4
247.20470	4.8
257.18970	15.0
267.08905	4.6
275.20056	100.0
276.20297	4.3
285.10028	14.5
293.21179	8.5
335.09152	7.0
349.24051	25.5
367.11771	16.9
367.22711	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	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	11.0
55.05511	36.8
56.96566	16.5
57.03419	19.1
61.16535	4.0
67.05505	72.9
69.03415	11.4
69.07059	28.3
71.05006	5.6
71.08610	8.4
71.28557	10.2
79.05496	55.4
81.07053	100.0
83.04993	9.7
83.08618	15.1
91.05461	38.5
93.07042	44.7
95.04971	10.8
95.08608	50.2
97.06507	8.8
97.10216	5.2
99.08102	10.4
105.07038	44.6
107.04951	11.2
107.08578	24.9
109.06488	12.7
109.10156	25.8
111.08063	4.9
117.07018	16.7
119.08590	32.8
121.06551	5.1
121.10154	18.3
123.08115	5.2
123.11678	7.0
125.09641	6.0
131.08565	14.8
133.10152	30.6
135.08047	11.1
135.11678	9.4
137.09592	5.2
145.10144	14.8
147.11670	13.1
149.09628	11.5
149.13242	13.7
151.11206	7.3
155.67043	4.5
159.11714	11.1
163.11139	7.9
165.12729	7.5
177.12819	8.7
183.11658	5.3
189.11201	5.4
247.08604	6.2
249.07985	7.1
257.18857	6.9
267.09052	26.8
275.15228	5.4
275.20035	46.5
285.10089	70.9
293.21124	41.1
303.10986	11.3
308.11813	7.6
349.23752	9.2
367.24799	25.1
367.32761	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	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.3
54.22234	2.1
55.01884	4.5
55.05513	28.2
56.23977	2.0
56.96552	5.7
57.03430	9.4
61.02920	10.5
67.05506	28.0
69.03423	4.2
69.06768	2.2
69.07073	21.5
69.63249	1.8
71.08634	25.3
71.58762	2.8
73.02918	4.8
79.05503	20.9
81.03399	6.7
81.07053	27.5
83.04967	4.9
83.08617	7.7
85.02899	7.8
91.03965	4.3
91.05466	12.0
93.07056	19.4
95.04964	6.7
95.08617	16.0
97.02888	7.7
97.10188	9.8
99.08091	24.8
103.98432	1.8
105.07047	9.3
107.04912	3.4
107.08590	9.3
109.06515	2.9
109.10181	10.1
116.98427	2.0
117.07021	2.0
119.08565	5.9
121.06524	4.1
121.10081	4.3
125.09645	10.7
126.20525	1.7
129.07053	2.6
131.08517	3.7
133.10104	6.1
135.11655	4.1
145.10085	4.0
147.11659	3.9
149.13208	2.9
151.11122	2.7
159.11635	2.7
160.37164	1.9
167.10692	3.9
177.12794	2.0
189.11209	5.1
219.02982	2.1
247.08574	2.2
247.20808	2.6
263.45322	1.9
275.19986	13.1
293.21100	100.0
294.21439	4.0
306.33731	2.0
367.11890	3.3
367.24719	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	367.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.0
55.01871	9.5
55.05514	32.5
56.96558	2.1
57.03446	12.1
57.07074	2.5
57.36994	1.8
65.03927	3.8
67.05505	56.9
67.76584	2.1
69.03427	7.6
69.07070	26.7
70.65162	2.2
71.04988	7.5
71.08633	3.2
71.58928	3.2
79.05493	47.4
81.03411	4.6
81.07054	100.0
83.04980	10.5
83.08624	12.8
85.06554	4.4
91.05482	31.4
93.07050	42.8
95.04971	11.3
95.08605	40.0
97.06534	12.3
97.10168	6.3
99.08118	2.8
103.05500	2.4
105.07029	41.7
107.04965	8.9
107.08578	25.5
109.06519	10.4
109.10154	17.1
111.08080	6.1
117.07040	10.7
118.33215	1.8
119.08590	24.1
121.06494	5.3
121.10149	18.1
123.08086	6.9
123.11727	9.1
125.09625	8.3
129.07028	5.8
131.08556	17.7
133.10107	22.0
135.08066	5.3
135.11702	8.8
137.09645	5.8
143.08568	5.8
145.10127	15.0
147.08083	3.6
147.11710	16.3
149.09618	11.7
149.13298	6.5
151.11205	4.9
152.33484	2.3
155.08553	3.5
157.10098	4.0
159.11703	8.3
161.09584	3.9
161.13292	2.2
163.11214	6.1
165.12730	5.2
169.10059	2.8
171.11667	2.2
173.09703	2.5
173.13261	4.9
175.11201	3.0
177.12805	3.1
185.13219	2.0
189.11217	3.5
191.10715	2.3
193.92047	2.0
197.13397	3.8
229.19690	2.4
247.20575	3.9
257.19077	6.8
260.03687	2.1
269.17657	2.9
275.20068	45.5
276.20419	2.4
293.21173	6.5
349.23663	7.8
367.11880	3.8
367.24686	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	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	12.0
55.05512	29.0
57.03435	50.3
57.07060	4.1
58.20155	4.6
59.05003	6.2
67.05506	76.6
69.03419	7.5
69.07069	30.6
69.52324	37.6
71.05002	12.1
79.05499	69.0
81.03414	5.4
81.07057	81.6
83.05002	9.2
83.08627	13.7
84.45016	3.7
85.06560	12.5
86.12632	5.0
89.11524	4.8
91.05482	71.5
93.07053	77.0
95.04980	14.1
95.08607	60.4
97.06539	14.8
97.10156	11.0
99.08115	4.8
101.05962	5.2
105.07030	62.8
107.04952	11.3
107.08597	52.8
109.06535	15.5
109.10166	32.1
111.08106	6.6
115.88653	5.1
117.07029	19.5
119.08580	57.4
121.06469	8.6
121.10146	34.6
123.08067	11.4
123.11689	4.5
125.09613	5.6
129.07013	18.1
131.07068	16.7
131.08578	48.3
133.10123	54.3
135.08075	8.8
135.11676	14.5
137.09566	8.3
143.08580	15.1
145.10123	38.7
147.11688	24.4
149.09564	29.0
157.10150	12.4
159.11723	40.6
161.13257	9.2
163.11169	14.7
169.10139	6.5
170.20239	5.3
171.10242	5.6
171.11664	6.8
173.13269	15.6
175.11299	4.6
175.14771	7.7
177.12784	6.0
185.13240	23.2
191.14433	5.6
197.13284	6.1
201.16396	15.2
203.14363	20.4
205.15845	8.8
219.17409	90.4
239.18015	17.6
257.19000	30.7
268.75018	5.5
275.20041	100.0
275.22766	7.6
276.20270	5.6
293.21045	11.2
306.09213	5.7
349.23712	46.1
367.24820	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	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.5
55.01865	7.3
55.05509	27.2
56.96573	5.5
57.03436	62.5
57.07079	4.6
60.49232	3.3
65.03928	6.3
67.05502	88.9
69.03421	7.4
69.07072	30.0
70.21735	7.0
70.22127	7.1
71.04982	12.8
71.08619	7.2
77.03945	4.0
79.05489	73.5
79.06187	3.3
80.05820	3.9
81.03475	3.7
81.07053	85.6
82.65476	3.5
83.04987	11.3
83.08615	16.4
85.06541	13.3
88.05812	3.2
89.05990	5.8
91.05481	79.1
91.06020	6.9
93.07038	84.2
93.07635	5.4
95.04990	20.7
95.08604	71.2
97.06521	10.3
97.10151	8.2
99.08086	8.9
105.07030	64.5
105.07693	6.1
107.04965	6.5
107.08588	49.2
108.41725	3.6
109.06516	25.5
109.10130	24.5
111.08073	5.7
115.05491	4.1
117.07023	30.6
119.08582	54.7
121.06508	9.3
121.10145	35.1
123.08081	16.7
123.11747	4.4
125.09634	6.4
129.07030	16.6
131.07115	17.5
131.08577	46.0
133.10121	42.9
135.08038	7.7
135.11728	14.3
137.09639	6.5
141.06888	4.7
143.08597	15.6
145.10118	35.0
147.11705	29.9
149.09630	23.8
149.13275	9.2
155.08566	5.5
157.10144	15.8
159.11679	35.3
161.09557	4.0
161.13245	9.1
163.11194	15.0
163.14784	4.7
165.12749	5.6
169.10077	3.9
171.11699	11.9
173.13220	24.7
175.11139	6.0
175.14856	7.1
177.12799	5.0
185.13290	23.3
187.14848	11.3
189.12787	4.9
191.14278	8.4
191.18178	3.8
192.15698	3.7
197.13188	3.6
199.14845	5.3
201.16457	11.9
203.14336	14.0
205.15881	8.1
219.17422	50.4
229.19460	5.8
239.17996	14.0
257.18912	21.5
275.20044	100.0
276.20340	9.2
279.19626	6.5
293.21207	17.8
349.23767	41.5
367.18280	4.3
367.24661	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	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.7
55.01862	4.3
55.05508	18.3
56.96345	2.6
56.96565	27.0
57.03197	2.6
57.03440	34.2
57.07068	3.2
61.86712	1.6
65.03938	3.2
67.05503	59.4
68.30502	1.5
69.03407	5.2
69.07063	17.2
69.84975	7.8
69.85389	2.9
71.04653	1.8
71.04998	20.0
71.95261	2.9
71.97820	1.6
73.02908	1.7
77.85398	1.7
79.05489	70.5
81.03390	4.1
81.07057	100.0
82.07371	2.6
83.04976	6.2
83.08618	8.8
85.02886	3.0
85.06532	4.7
89.06023	16.1
91.05478	50.0
93.06479	3.7
93.07042	67.7
95.04961	12.1
95.08604	77.2
96.08872	1.5
97.02859	3.3
97.06535	9.4
97.10172	4.3
99.08068	3.1
105.04492	3.4
105.07028	44.8
107.04923	6.0
107.08588	45.9
109.06514	7.8
109.10146	21.6
111.08061	6.6
112.00030	1.8
115.07571	2.6
117.07007	13.8
119.07707	1.9
119.08577	31.5
121.06503	3.6
121.10135	23.7
123.08073	9.3
123.11703	4.5
125.09627	3.2
127.07491	2.5
128.06224	2.3
128.98648	3.3
129.05470	2.0
129.06993	7.6
131.08568	22.7
131.79851	1.6
133.10124	18.6
135.08006	6.2
135.11678	11.3
137.09621	3.5
143.08554	7.0
145.08705	2.5
145.10120	23.9
146.99609	5.0
147.11667	10.2
149.09639	4.7
149.13235	6.3
151.11206	3.0
153.09116	1.8
157.10092	4.7
159.11671	13.1
161.13229	10.9
163.11157	4.5
163.14880	2.5
171.11702	3.8
173.13239	5.4
175.11142	3.5
175.14760	5.8
177.12755	5.2
177.16298	3.2
184.32011	2.2
185.13268	12.2
187.14822	18.2
189.04295	2.8
189.12723	3.4
191.14304	2.1
197.13237	1.6
199.06419	2.0
199.15018	2.2
201.12596	2.1
203.05916	3.4
203.14317	7.9
205.15860	9.5
213.08002	3.6
217.07419	8.3
219.08925	1.9
219.17471	2.4
221.64636	1.7
229.07458	16.3
229.19466	3.5
231.09018	6.1
238.58575	1.7
239.18018	3.1
241.11095	2.7
243.09067	5.5
245.15314	2.4
247.08551	17.4
247.20570	2.4
251.09575	3.2
255.09109	3.6
257.10580	2.3
257.19098	5.1
259.12140	3.8
261.10062	1.9
263.16278	1.8
269.10519	13.6
273.10043	3.3
275.20065	16.7
279.19519	25.6
287.11688	9.3
298.10846	3.1
304.07175	1.9
315.11053	2.9
331.15689	8.4
335.09268	2.2
349.16989	13.9
349.23633	10.7
367.11374	3.4
367.17764	36.4
367.24747	16.9
368.18112	2.3
385.14368	2.5
385.18976	26.1
386.19241	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	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	2.0
53.03932	5.8
54.45752	1.8
55.01869	9.6
55.05262	2.1
55.05508	22.5
56.78310	1.7
56.96540	2.2
57.03437	18.8
57.07063	2.0
59.05005	11.6
65.01999	1.5
65.03937	4.5
66.04729	1.6
67.05502	68.1
68.05843	1.7
69.03418	5.6
69.07066	35.7
71.04990	5.4
71.58635	2.2
71.59006	2.6
71.83585	1.6
74.65636	1.7
75.61440	1.5
78.97728	1.7
79.05492	47.9
81.03443	2.0
81.07055	100.0
82.07383	2.4
83.04982	7.3
83.08619	14.5
84.04496	1.7
85.06544	5.3
89.03970	1.8
91.05473	39.5
93.07042	42.2
94.04201	4.0
95.04971	12.7
95.08602	44.2
97.02889	3.1
97.06535	13.2
97.10168	5.7
99.08092	3.8
103.05451	2.4
105.07029	40.1
107.04933	10.7
107.08595	29.2
108.99043	1.8
109.06505	17.3
109.10149	21.6
111.08112	4.1
115.05463	2.1
117.07011	11.3
119.08571	29.1
121.06503	5.7
121.10130	19.7
122.03651	4.7
123.08066	6.9
123.11713	13.2
125.09632	5.9
128.06166	2.0
129.07022	5.4
131.08578	19.4
133.10133	24.1
135.08057	5.5
135.11673	9.2
137.05975	67.3
137.09599	3.7
137.13190	2.1
143.08586	4.6
144.05672	2.0
145.10126	17.0
147.08060	3.1
147.11665	25.0
149.05986	3.7
149.09605	10.2
149.13297	7.8
151.07521	2.3
151.11171	2.5
155.08574	2.4
157.10101	4.1
159.11691	11.3
161.05904	1.8
161.09663	2.8
161.13252	3.7
161.82768	1.8
163.11206	4.9
165.12790	5.0
169.06400	2.5
169.10081	2.5
171.08095	1.7
171.11728	5.8
173.13246	5.4
175.07504	3.5
175.11279	3.4
175.14871	2.3
177.12727	4.5
183.08095	2.1
183.11690	1.9
187.07547	1.8
189.11215	2.2
195.13811	2.0
197.13286	3.4
198.06931	2.7
199.07478	4.0
199.14882	2.8
213.09099	15.5
217.09821	1.8
217.15932	2.5
219.08195	2.3
227.12997	1.9
229.10130	3.9
233.09651	2.1
234.06586	1.7
239.17920	4.9
245.09601	4.9
246.10207	2.4
247.20641	3.5
257.09592	5.4
257.19058	5.6
261.09164	2.4
273.09116	3.2
274.09909	3.8
275.10519	2.4
275.20050	43.1
276.20303	2.2
277.12250	3.1
279.13577	2.2
281.18216	1.7
285.09222	5.0
289.08774	1.9
289.12219	4.8
293.21109	2.5
302.09372	3.4
303.10043	2.5
305.11740	2.5
306.08847	2.6
317.11746	15.0
318.12115	2.1
321.11224	6.1
331.22589	2.2
335.12769	6.6
337.14365	4.1
349.14410	5.2
349.19980	3.6
349.23801	7.3
350.09955	2.0
367.11526	3.5
367.15439	31.4
367.20856	26.1
367.24869	21.4
368.15909	5.2
368.25247	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	367.178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	1.5
55.05482	4.1
56.96305	2.8
56.96565	41.7
57.03443	2.5
67.05505	6.1
68.24346	1.1
69.03421	2.1
69.07047	4.7
71.04929	1.3
71.58699	2.2
71.95250	4.3
72.96043	3.2
74.97611	2.9
79.05508	9.9
81.07053	20.6
83.04993	1.4
87.00829	1.2
91.05482	6.9
93.07035	6.3
95.04962	1.7
95.08583	5.6
97.10136	1.3
97.96791	2.4
101.85271	1.3
105.07022	4.4
107.04956	1.8
107.08596	6.9
109.06481	1.7
109.10140	4.4
110.28848	1.2
115.97771	1.5
116.90219	1.4
116.98542	1.3
117.07051	1.4
119.08561	6.9
121.10146	2.7
123.11720	2.2
128.98592	5.0
131.08571	2.3
133.10104	2.6
135.08067	1.8
135.11703	2.7
137.02745	1.8
137.05991	1.5
145.10118	1.4
146.99649	6.2
147.11668	1.9
149.01125	1.5
149.13330	1.3
152.78452	1.2
155.03745	2.3
159.03326	1.5
159.11649	2.5
160.00444	1.3
161.01161	1.5
161.09711	1.5
161.13246	1.8
165.00594	2.3
171.03227	1.3
173.13205	1.7
175.14864	1.3
177.12733	3.0
185.04718	1.4
187.06299	1.6
187.11229	1.7
189.04268	3.8
191.05927	1.6
195.07057	1.5
197.08478	1.4
199.06409	2.9
201.04288	1.6
203.05980	3.6
205.07344	1.9
209.04909	1.9
211.06339	2.6
213.07916	11.3
217.07545	8.3
222.99394	1.2
223.08488	3.8
225.07938	4.1
227.14285	1.3
229.07454	5.1
231.09032	21.0
237.07919	2.1
239.09482	3.0
241.11143	7.4
243.09077	6.6
245.10675	1.7
245.15414	2.0
247.08446	5.5
249.10083	1.4
251.09453	7.5
255.09047	9.5
257.10611	4.8
259.12180	12.3
261.10110	2.7
269.10614	44.3
271.12106	1.5
273.10135	8.0
275.19965	2.4
278.10571	1.6
279.09018	2.6
280.09732	2.3
287.11679	28.5
292.12115	3.6
297.10007	4.1
315.11371	3.1
331.15781	11.3
335.09009	1.8
349.16879	21.8
358.05679	1.3
367.17838	100.0
368.18265	4.2
372.18350	2.8
385.18982	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	367.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17875	1.3
55.05502	3.9
56.96565	68.0
67.05491	5.7
69.07050	5.0
70.44229	4.5
71.04948	1.5
71.95271	7.1
72.96024	3.2
74.97591	2.4
79.05501	8.0
81.07057	12.7
83.04951	1.5
83.08598	2.7
84.96032	3.1
86.09692	3.5
91.05471	3.8
91.28523	1.6
93.07033	5.7
95.04894	1.4
95.08606	4.0
97.10142	1.9
98.20873	1.7
105.07011	6.0
107.08586	3.5
109.10159	2.7
110.97532	2.1
114.69865	1.3
115.97861	2.2
117.07020	1.9
119.01748	1.6
119.08582	1.9
121.06494	1.7
121.10132	1.8
123.01171	3.1
128.10722	1.4
128.98604	5.0
131.08615	1.6
132.42807	1.3
133.06505	1.5
133.98882	2.1
137.02739	1.6
141.02249	2.6
141.07277	1.7
145.01553	1.3
145.10063	1.8
146.99652	11.1
147.03317	1.5
149.09550	1.4
155.03743	4.7
158.09993	3.0
159.11635	1.6
161.01289	1.8
163.02780	4.5
165.00656	3.6
169.01694	3.1
171.03246	1.8
173.04781	1.7
181.03868	1.9
183.03326	1.8
183.06981	1.8
185.04984	2.2
187.02773	2.5
189.04279	2.9
191.05843	1.8
194.52168	1.9
195.06985	3.1
199.06425	4.1
201.04366	2.7
203.05893	3.4
213.07959	4.9
217.07437	9.1
225.07834	1.8
229.07437	3.4
231.09015	12.5
237.07898	1.9
239.09525	4.4
241.11092	3.0
243.09042	3.9
247.20721	1.7
251.09497	5.6
255.09038	14.2
257.10614	4.3
259.12103	5.9
261.11584	12.5
269.10580	25.4
273.10110	17.4
273.51636	1.8
275.19885	2.0
277.11063	8.0
279.12671	89.0
280.12943	3.4
283.12085	2.3
287.11591	15.5
290.21198	1.6
292.12030	3.0
295.12115	2.5
297.13724	100.0
298.13940	2.6
302.14285	12.3
307.15982	1.7
320.15332	8.1
331.15796	9.1
349.16824	49.2
350.17206	3.4
367.17859	70.8
368.18341	2.8
368.24216	3.9
372.18250	4.9
385.18964	46.3
386.18890	2.4
390.19373	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39386	1.1
52.74776	1.1
53.03943	2.6
55.01870	3.5
55.05500	1.8
57.03425	5.3
58.89803	1.2
58.90477	1.3
62.02439	2.3
67.05495	1.7
69.03428	15.4
69.07051	2.1
70.14053	5.3
71.04999	7.1
72.08109	1.2
73.02921	1.3
79.05488	3.3
81.03413	10.2
81.07060	3.8
83.04974	1.2
85.17540	1.1
87.04391	1.3
91.05480	4.1
93.07035	2.0
93.52267	1.1
95.04955	1.7
95.08614	1.4
97.02924	2.2
97.06554	1.1
99.04479	6.5
99.66245	1.1
103.05446	1.6
105.04444	1.1
105.07029	3.6
107.08606	1.5
117.05495	3.1
117.06975	1.4
118.06532	3.0
119.08562	2.2
121.06483	8.3
122.06892	3.7
123.04450	3.1
131.08545	1.8
132.08151	1.1
135.04437	1.3
135.06544	4.0
137.05936	2.7
145.07616	13.4
145.10089	2.7
147.04358	1.4
147.09158	11.4
147.11676	1.3
157.07614	1.6
159.09186	13.5
160.09984	2.6
167.07042	2.0
167.08418	1.2
172.92554	1.4
173.07156	1.2
175.08678	4.5
175.19574	1.2
178.07030	1.7
184.10060	1.8
185.10753	5.3
187.08675	2.6
190.09740	55.4
191.08160	100.0
197.10786	4.0
199.12294	3.7
200.09412	1.6
205.08479	1.3
207.07649	1.9
208.07982	4.8
211.08791	2.1
213.10226	3.5
215.11815	3.3
225.10211	6.0
225.25615	1.2
243.11255	4.2
245.09454	1.7
253.09772	1.9
263.13724	1.1
270.12411	1.6
271.10800	5.9
288.13174	1.8
289.08868	1.5
289.11823	11.0
303.06390	1.2
306.14471	32.9
307.09766	1.6
307.12994	5.0
323.20480	3.6
324.12518	3.0
324.15717	14.0
335.09149	2.7
349.11002	1.4
349.14926	1.5
349.21896	1.5
367.12119	4.6
367.16284	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	367.1152
Annotation	Speranskilatine A
Peak:m/z	Relative Intensity
55.01860	0.7
55.05493	1.9
56.96542	0.5
57.03419	1.4
57.07059	0.5
59.04984	1.3
67.05499	3.9
69.07059	2.5
71.04976	0.5
71.58654	0.8
79.05492	3.1
81.03414	0.5
81.07042	6.1
83.04953	0.9
83.08626	0.9
85.06549	0.6
91.05486	3.5
92.16209	0.5
93.07046	2.8
95.04980	0.9
95.08597	2.9
97.02932	0.6
97.06533	1.2
105.07039	2.8
107.04987	0.7
107.08589	1.9
109.06510	0.5
109.10138	1.2
117.07010	1.0
119.08560	1.5
121.10123	1.2
123.04433	0.5
123.11720	0.7
131.08562	1.2
133.10126	1.6
135.08038	0.7
135.11676	0.7
137.05972	1.2
145.10078	1.3
147.11700	1.0
159.11696	0.8
175.03691	7.6
176.82607	0.5
213.09219	0.5
234.98875	0.5
237.56770	0.5
245.80981	0.5
257.18964	0.9
275.20023	2.5
293.58762	0.6
321.11002	0.9
335.09161	0.8
339.12027	9.3
339.15823	0.8
340.12384	0.8
367.11505	100.0
367.20889	3.3
367.24747	1.5
368.11899	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1176
Annotation	Candidusin C
Peak:m/z	Relative Intensity
53.03944	0.3
55.01864	1.1
55.05510	2.4
56.96561	0.6
57.03434	1.7
57.07096	0.3
64.62952	0.3
67.05167	0.6
67.05505	6.0
68.99789	0.7
69.03421	0.7
69.07061	2.1
69.51292	2.4
71.04974	0.8
79.05489	4.2
81.03420	0.4
81.06590	0.3
81.07058	6.5
83.04977	0.8
83.08604	0.9
83.15030	0.3
85.02932	0.4
85.06548	0.5
87.28297	0.3
91.05484	3.1
93.07040	3.2
93.26678	0.3
95.04962	1.4
95.08618	3.3
97.06525	1.3
97.10160	0.8
105.07031	3.1
107.04930	0.7
107.08592	2.3
109.06506	0.9
109.10138	1.9
111.00837	0.4
111.08027	0.3
117.07010	1.1
117.62226	0.3
119.08569	2.4
121.06496	0.5
121.10162	1.1
123.08098	0.6
123.11747	0.7
125.09634	0.8
129.07001	0.6
131.08566	1.0
133.10129	2.4
135.08040	0.4
135.11710	0.9
141.62526	0.3
145.10143	1.0
147.08009	0.4
147.11623	1.4
149.09625	0.9
149.13248	0.9
151.11191	0.5
157.06429	0.4
157.10146	0.5
159.11696	0.8
161.13185	0.4
163.11156	0.6
165.07053	0.4
171.08221	0.4
171.11678	0.4
173.13300	0.4
175.11124	0.4
181.06633	0.3
191.33717	0.3
195.13770	0.4
197.05978	0.7
209.05891	0.5
213.05589	0.6
219.08009	0.3
221.05962	0.4
225.05550	0.6
226.06180	0.4
237.05617	0.5
238.06071	0.4
239.06970	0.7
240.07806	0.8
241.05066	0.5
243.08916	0.4
250.06206	0.4
251.07095	0.4
253.04965	2.1
254.05609	0.4
257.18985	0.6
263.07104	0.6
264.07886	0.5
265.04950	2.4
265.07709	0.5
266.05731	0.5
267.06552	1.0
267.09100	0.4
268.07462	0.6
275.07132	0.3
275.20053	3.3
278.05554	0.4
279.06564	1.4
279.09695	0.4
282.05258	0.6
283.09665	4.0
285.10071	0.7
288.56717	0.3
291.06625	0.7
291.10056	0.4
292.07373	1.1
293.04453	1.6
293.08087	3.8
293.21118	0.4
294.05258	0.7
297.07535	1.0
305.04462	7.0
306.05191	0.4
307.06146	0.4
307.09662	0.8
308.10492	0.5
309.10754	0.3
319.06058	1.1
322.04645	0.3
325.07141	1.0
335.09143	3.2
336.09729	0.8
337.07071	20.1
338.07245	0.7
349.23746	0.5
351.08627	3.0
367.11768	100.0
368.12100	4.6
385.18747	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53130	1.8
56.96563	30.9
60.06213	2.5
69.03432	5.8
70.06592	2.6
71.57549	3.7
72.23412	2.1
77.00906	6.2
81.03416	8.2
83.20044	2.3
84.96033	4.5
85.02911	5.6
89.03886	2.1
95.01911	4.4
97.02890	4.6
98.97579	22.7
100.99152	4.4
101.00900	7.3
109.02892	5.8
110.97541	3.3
113.00822	2.9
115.02403	2.4
116.98618	18.8
119.00172	3.5
119.01920	53.5
121.01684	6.2
127.02398	2.5
128.98611	8.5
129.03995	2.4
131.00159	4.2
131.01900	13.6
133.01665	3.9
133.03467	15.1
133.46550	2.2
134.99648	8.4
135.03215	2.5
137.02965	9.0
139.02519	4.0
143.00133	2.7
143.01921	4.7
145.01733	4.9
145.03526	28.8
146.99664	8.8
147.03238	3.9
149.01242	8.5
149.02959	4.4
151.04614	3.0
153.01874	8.1
155.01953	4.4
156.02715	9.5
157.01717	2.4
157.02136	3.1
157.03471	35.8
158.03601	2.1
158.99690	4.7
159.05061	8.7
161.01440	4.5
161.02977	18.1
163.02725	10.3
163.03923	3.8
163.04332	4.4
165.00732	3.8
167.01997	6.2
169.03494	7.5
169.34639	2.5
171.05058	7.3
173.01233	7.0
173.02995	11.9
173.04614	3.1
174.03754	5.0
174.99139	5.3
175.02922	4.2
175.04526	25.8
177.00729	9.2
177.04199	2.3
181.02226	2.0
181.03819	7.0
181.05469	4.5
184.02219	7.2
185.01430	3.1
185.02942	17.2
185.06560	3.2
186.99138	2.9
187.02759	4.5
187.04590	7.0
189.00713	4.1
189.06030	2.5
191.02220	6.3
191.03966	3.0
193.00206	14.3
199.04584	9.7
201.06149	3.2
203.04089	9.4
205.03868	3.8
205.05658	13.4
211.04561	5.1
217.00169	4.6
217.03738	4.1
217.05594	22.2
219.01759	7.0
221.03157	4.7
221.04932	11.0
223.04697	2.6
223.06706	2.6
226.03497	2.4
235.01396	3.3
235.06647	38.2
237.02777	20.4
239.04077	3.0
241.05650	5.4
245.05249	5.1
247.01329	2.8
247.04645	3.5
247.06865	3.6
251.04457	2.7
253.07698	100.0
254.07890	3.8
257.05133	4.4
261.08221	16.6
263.01007	2.6
263.04178	2.7
265.05521	2.4
269.05389	10.7
271.08798	10.7
276.09485	4.8
277.07773	8.2
279.09268	95.3
280.09601	3.9
287.06464	3.7
289.07761	6.8
291.09274	16.4
295.08969	10.9
297.10556	2.6
299.06116	3.4
302.10980	2.8
305.07242	2.8
307.03723	3.6
307.08887	61.3
308.08987	4.7
309.10345	16.3
319.08670	3.1
325.09940	78.8
326.10016	3.9
348.11438	2.7
349.05637	2.5
349.09827	7.3
367.05884	3.8
367.10733	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	367.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	5.1
61.36216	3.3
62.98629	2.8
69.39045	20.0
69.39469	10.7
77.00877	3.1
81.03417	5.5
84.29253	2.9
89.00930	3.2
98.97571	4.3
101.00887	16.1
103.00727	2.9
115.02446	3.3
118.01167	2.9
119.01915	56.3
121.01659	7.6
131.01912	16.8
133.01668	2.9
133.03473	19.3
137.02950	6.9
139.02452	5.4
143.01909	3.4
145.03485	24.0
149.03058	3.7
154.01196	3.4
155.01907	8.2
156.02705	9.2
157.03494	32.8
159.05034	7.6
161.02965	14.6
163.02730	5.4
163.04515	10.1
167.01926	4.8
169.03500	6.2
171.05011	7.4
173.02916	9.8
175.04556	19.0
181.01852	6.1
181.05528	4.3
184.02238	6.5
185.02892	20.8
187.04565	6.2
189.06204	3.6
199.04527	10.1
203.03783	5.6
203.05492	4.1
204.04922	2.7
205.05595	21.1
217.05583	30.8
219.07227	3.8
221.05072	12.5
223.06670	8.5
226.03424	3.9
235.06639	39.8
241.05635	5.4
247.04843	5.0
253.07697	100.0
261.08191	12.5
271.08752	12.9
276.09192	3.7
277.07675	6.0
279.09259	84.2
280.09531	6.7
289.07620	5.0
291.09189	12.2
295.08694	10.8
297.10294	7.7
307.08722	74.5
308.09125	4.0
309.10257	15.3
325.09799	65.9
348.11542	3.3
349.09723	7.2
367.10300	84.0
368.11148	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0486
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	34.0
57.63734	0.5
67.05507	1.0
69.07066	0.9
70.04585	2.9
70.71763	0.6
71.95270	5.2
79.05475	1.5
81.07046	1.6
91.05489	1.1
93.07076	0.7
95.08586	0.9
97.06507	0.7
98.97581	51.9
105.06996	0.9
107.08559	0.6
108.20207	0.6
110.07160	0.9
113.71978	0.7
116.98618	80.5
117.06981	0.7
134.99655	100.0
136.00003	0.7
140.00165	4.2
153.00706	28.1
158.01274	9.2
176.02313	2.0
198.80865	0.6
209.01358	1.0
217.07401	0.8
227.02260	3.6
229.07521	1.3
247.08530	1.0
275.20001	1.2
275.85876	0.6
279.12698	2.1
293.01160	0.9
297.13831	2.7
308.08694	1.0
311.02304	1.2
313.03870	2.5
325.03738	5.9
331.04736	0.7
343.04935	12.2
349.16782	2.3
352.70709	0.7
357.99893	0.8
361.06009	1.3
367.04871	96.2
367.17856	2.4
368.05075	2.6
385.05945	46.2
385.18958	2.0
386.06140	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13693	7.9
50.24352	6.5
53.15327	7.9
56.96552	28.3
57.91885	7.3
58.18942	7.0
62.57091	7.1
69.03397	9.9
70.19827	17.0
70.20220	18.4
81.03407	8.0
85.02898	12.1
85.82856	8.9
91.57502	6.9
97.02872	8.9
98.97600	14.9
116.98625	15.3
119.01922	41.9
131.01912	9.9
133.03488	10.7
137.02933	9.5
145.03555	14.4
157.03435	20.4
161.02951	15.1
163.02737	17.2
163.04546	10.4
173.02936	11.7
175.04556	16.4
187.04532	14.3
191.48483	9.1
205.05611	14.6
216.99834	8.3
217.05537	26.9
219.01813	9.8
221.05075	13.5
235.06682	30.0
237.02763	18.9
253.07748	70.6
261.08099	12.7
271.08759	9.1
277.07611	10.4
279.09271	48.0
291.09186	10.8
295.09039	8.7
305.07056	8.0
307.08887	43.3
325.10031	37.3
349.09705	9.1
367.10541	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0207
Annotation	Unknow
Peak:m/z	Relative Intensity
65.81891	0.1
69.66619	0.5
69.67028	0.3
77.55242	0.1
82.99891	0.2
94.48775	0.1
101.00870	0.5
108.69777	0.1
116.98650	0.1
119.01916	6.5
120.02070	0.1
122.97859	0.2
134.99776	0.4
137.02951	5.1
138.02950	0.1
140.98764	0.1
142.03453	0.3
153.00917	0.6
158.99872	0.5
165.99692	0.2
175.03027	0.2
177.00948	20.7
178.01016	0.9
179.00900	0.1
182.99939	0.5
193.04095	0.5
195.01985	0.7
200.02527	0.6
201.00861	0.8
209.98578	0.1
216.99094	0.1
217.04086	3.2
218.03955	0.2
219.01999	24.9
220.02153	1.5
221.01956	0.2
225.00836	2.1
226.01050	0.2
227.99641	0.1
235.00009	0.4
236.00089	0.2
236.99799	0.5
237.99861	0.1
242.03648	0.8
243.01976	4.1
244.02100	0.3
253.00902	0.3
254.01147	0.2
255.00836	0.2
258.99991	0.4
260.00070	0.3
260.04666	0.4
261.03049	100.0
262.03174	5.6
263.03287	0.7
266.03699	0.4
266.98843	0.1
275.04623	0.3
275.09436	0.1
277.01007	1.1
278.01190	0.5
279.00885	0.6
280.01013	0.3
283.00024	0.9
284.00262	0.6
284.04642	6.2
284.99890	0.3
285.04733	0.5
301.01035	2.3
302.01123	1.8
303.00784	1.2
303.03909	0.2
304.01022	0.3
307.06207	0.2
319.01978	0.3
321.01923	0.1
324.02997	0.1
342.02249	0.2
343.02286	0.8
344.02164	0.5
360.99655	0.1
361.03595	0.2
362.03354	0.2
367.01886	0.8
385.03143	3.4
386.03302	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	366.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01856	1.8
55.05506	1.1
56.05021	1.2
56.96565	1.1
57.03444	3.2
57.25425	0.6
59.04980	0.8
60.04523	25.3
61.02919	2.0
67.05511	3.9
69.03088	0.7
69.03429	11.2
69.07037	2.3
70.06577	2.7
71.01347	1.1
71.04977	4.2
71.57734	0.9
71.58101	0.8
72.08150	1.0
73.02896	1.3
74.06052	1.2
79.05467	3.3
81.03391	2.2
81.07059	4.0
83.08601	1.0
84.04496	1.6
84.08127	1.5
85.02897	2.2
86.09696	1.6
91.05473	3.3
93.07029	2.2
95.04944	1.3
95.08580	2.8
97.02887	1.0
97.06515	1.8
98.97534	1.2
99.04414	3.4
99.08101	0.8
100.07622	3.4
103.05513	0.8
105.07024	1.3
106.06528	2.4
107.05015	0.9
107.08549	1.6
109.02869	0.7
109.10159	1.0
110.07157	1.9
116.04973	3.8
116.07101	1.2
117.05489	0.7
118.05286	2.7
118.06535	1.2
118.08650	1.3
119.04939	2.2
119.08569	0.9
120.08099	3.1
121.06449	0.9
121.10131	1.5
123.04401	1.3
124.07523	0.8
127.03896	1.0
129.10240	1.1
131.06064	1.8
132.06842	0.8
133.07614	9.8
133.10115	0.7
134.06039	1.6
134.99721	0.9
135.11766	0.7
136.07501	1.6
143.06044	2.3
144.06778	1.3
145.05026	0.7
145.07607	14.8
146.08344	0.9
147.04407	5.5
147.09146	1.4
153.01790	1.0
157.07607	2.2
158.04794	0.7
158.08424	0.9
159.09175	1.6
161.07094	2.4
163.08678	14.1
169.12102	1.2
171.05481	0.8
171.09142	1.6
173.07126	1.1
175.08669	4.6
176.09160	0.9
177.00751	0.8
177.06627	3.2
189.06557	7.6
191.08153	1.5
200.09457	1.5
201.10233	2.4
203.11832	0.9
204.12379	0.8
207.07646	100.0
208.08031	4.4
212.98448	1.0
213.10201	1.1
214.06033	1.5
220.08151	1.5
229.09744	1.3
231.11337	1.9
232.07138	14.6
239.00182	1.0
241.09686	0.8
249.12296	1.1
261.12311	1.9
263.00101	1.0
275.10339	0.8
279.13397	7.5
294.24234	1.3
305.11292	2.0
312.25385	3.1
323.12360	54.0
324.12668	3.2
330.26474	6.3
348.11899	5.8
348.27454	9.1
366.12933	49.8
366.28445	10.4
367.13354	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	366.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.4
55.05495	3.7
56.96539	3.3
57.03441	3.5
60.04525	20.6
61.02913	3.4
67.05491	3.3
69.03430	13.4
70.06585	6.1
70.92678	3.2
70.93021	6.3
73.02917	3.1
79.39789	3.3
81.03399	4.0
81.07057	21.1
83.04993	3.5
84.04495	20.9
84.08093	4.2
85.02914	21.9
85.06540	3.5
97.02875	6.8
98.06049	2.8
98.09686	6.0
98.21023	3.9
98.97549	4.6
99.02659	3.5
99.04425	3.1
101.30640	2.8
102.05545	3.0
109.06496	9.8
116.98606	2.6
126.03767	4.3
126.09151	92.2
127.03938	3.8
127.07537	11.9
128.98616	4.0
131.72421	3.0
137.06007	4.7
138.05528	3.1
140.05269	14.4
140.14334	3.5
144.10188	61.4
147.04381	6.7
157.05547	6.4
167.07040	10.9
168.04765	4.0
168.10165	5.0
170.05652	4.7
171.06082	5.5
177.00618	3.6
186.05846	43.1
186.11252	100.0
187.06207	3.3
192.07835	3.8
203.05179	3.8
204.06879	29.0
204.12297	44.7
204.15945	5.9
206.15726	2.8
209.10110	4.4
366.11682	5.5
367.09985	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	366.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.6
55.01861	5.1
55.05528	3.8
55.94848	2.3
56.05040	3.6
56.96561	2.7
57.03418	6.2
59.62584	2.5
60.04501	2.8
65.05048	2.1
67.05508	3.1
69.03433	28.7
69.07043	3.0
69.61646	2.6
70.23007	8.5
71.04991	4.4
73.02900	3.3
79.05499	5.2
81.03406	15.3
81.04366	2.5
81.07047	6.3
84.08156	3.1
85.02905	82.5
87.00825	28.4
91.05461	3.7
95.04951	3.8
97.02880	26.2
98.09684	4.0
98.97579	4.9
99.04462	7.7
105.01863	57.7
105.07011	4.1
107.08517	3.6
109.02877	20.2
110.97538	2.8
116.98613	6.7
117.01850	2.7
121.02895	3.9
121.06499	11.4
126.05643	2.8
127.03924	55.8
137.05865	3.0
141.01768	3.5
141.73645	2.9
145.04962	23.6
147.04398	2.7
159.02921	9.2
161.05901	2.6
165.01833	17.4
183.02878	14.4
188.64786	2.7
204.15952	6.2
213.03932	4.0
231.04913	18.4
243.08940	3.0
249.06044	4.4
263.09656	2.9
283.06000	100.0
322.19537	7.8
339.12320	3.6
366.22089	5.7
367.08017	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	366.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.3
53.99688	1.7
55.01869	7.5
55.05507	3.3
57.03433	8.0
61.02922	6.0
61.43993	1.5
67.05508	1.9
69.03425	39.1
69.36314	10.9
69.36736	5.7
71.04991	5.9
73.02914	6.6
74.74773	1.5
75.79807	1.7
81.03410	26.1
81.07067	2.6
85.02898	100.0
87.00822	45.0
91.05463	2.0
97.02881	31.3
99.04449	15.8
105.01862	58.1
108.04467	3.9
109.02864	24.5
111.08091	2.7
117.01820	1.9
127.03907	69.6
129.01781	3.2
139.07506	2.3
141.09082	2.1
145.04955	34.9
145.06020	3.1
147.02933	3.6
156.02444	1.6
159.02870	14.1
189.03951	3.9
191.10658	1.6
206.62161	2.2
209.11765	4.7
225.16261	1.7
231.04997	16.5
249.06093	2.5
286.61502	1.7
295.11719	4.4
361.02582	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
53.28833	1.0
55.01861	2.0
55.05496	1.0
56.96527	1.0
57.03418	4.2
60.04261	1.4
60.04525	18.0
61.02916	2.2
65.03934	1.7
67.05476	3.5
69.03432	7.8
70.06579	3.4
70.93935	2.5
70.94285	1.2
71.04974	2.6
73.02919	1.5
79.05469	3.1
81.07036	3.4
83.04955	1.4
84.04560	1.4
84.08122	1.3
84.57695	1.0
85.02887	3.1
88.07640	1.5
90.14615	1.1
91.05482	24.1
93.07022	1.9
95.08616	2.1
98.06015	1.6
98.97664	1.1
99.04467	1.6
100.07584	2.8
103.03927	3.2
105.07002	1.1
106.06554	2.4
107.08570	2.1
115.20390	1.1
116.04908	2.6
116.07075	2.3
118.05269	2.9
118.08646	1.5
119.04942	28.4
119.08502	1.3
121.10152	1.3
123.04413	1.7
125.02453	1.3
127.03912	1.3
130.06529	1.7
131.06032	2.3
133.07599	8.6
134.06055	2.0
134.08115	6.8
136.07501	1.1
138.05476	1.1
139.03886	3.7
143.06096	1.8
145.06519	1.6
145.07593	11.7
146.08414	1.4
147.04407	100.0
148.04790	1.7
151.11029	1.2
157.07645	1.9
161.07149	3.0
163.08661	12.1
169.12204	1.9
175.08693	3.1
177.06660	1.6
189.06613	6.7
191.89366	1.4
201.10309	1.7
202.07140	1.6
203.08179	1.1
204.15958	2.5
204.21573	1.1
207.07652	79.8
208.08034	1.3
214.06146	1.4
220.08163	23.7
227.02376	1.1
232.07198	10.9
261.12305	1.6
262.10748	4.4
279.13394	8.0
305.11374	3.2
312.25223	2.0
323.12363	40.4
324.12662	2.3
330.26312	4.0
348.11823	4.2
348.27374	5.1
366.12894	41.6
366.28308	6.6
367.13422	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05057	0.4
57.03432	0.5
60.04525	3.9
65.03932	1.3
67.05518	0.8
70.06586	1.1
71.58362	0.6
79.05482	0.8
81.03441	0.4
81.07060	1.3
82.06590	0.4
84.04525	0.4
85.02899	1.0
86.09743	0.5
87.00842	0.5
88.03951	0.4
88.07611	1.6
91.05479	18.6
92.05827	0.6
93.07076	0.4
95.04940	0.8
95.08607	0.7
98.06058	0.7
98.97585	0.8
103.03938	3.3
105.07053	0.6
107.08594	0.3
109.10143	0.4
110.07121	0.4
116.07085	3.4
119.04940	29.0
120.05292	0.6
121.02937	0.4
121.10069	0.4
122.02341	0.4
123.11664	0.5
130.06558	0.8
134.08128	6.9
134.99654	0.6
136.07617	0.5
138.05540	0.5
139.03911	1.7
139.54816	0.4
144.08037	0.5
147.04405	100.0
148.04736	3.4
153.05544	0.4
160.06073	0.4
161.01204	0.5
163.04080	0.4
169.12277	0.8
177.00592	0.4
182.16418	0.4
184.06036	0.4
195.01515	0.4
201.05505	0.6
202.07068	1.0
207.07640	0.5
211.04033	0.4
212.98462	0.5
219.01859	0.5
220.08157	23.8
221.08640	0.6
229.04999	1.1
233.08130	0.4
261.07529	0.7
262.10733	4.7
263.00064	0.6
280.11734	2.1
281.15079	0.6
289.57916	0.4
291.03885	0.5
323.12665	0.4
330.26477	1.2
348.27524	1.3
357.06824	0.4
366.12140	0.5
366.28476	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.32
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
53.11546	0.7
55.05264	0.7
55.05511	7.2
57.07074	3.9
67.05505	16.8
69.07068	12.8
71.08617	0.9
71.59014	0.6
79.05497	10.1
81.07056	34.4
81.50547	0.6
83.04983	0.9
83.08619	5.8
87.74564	0.7
91.05479	9.5
93.07043	19.0
95.04958	1.9
95.08604	50.0
97.10165	3.1
105.07028	21.5
106.17403	0.7
107.08591	29.6
109.06506	1.3
109.10154	24.7
111.11722	2.7
114.97300	0.7
117.07017	4.5
117.10548	0.8
119.08581	21.1
120.08875	0.9
121.09317	1.4
121.10146	20.5
123.11706	11.2
129.07047	3.8
130.07770	1.3
131.08566	9.6
133.10129	19.4
135.11693	13.5
137.13237	4.7
142.07741	0.9
143.08580	5.6
144.09358	1.4
145.10130	16.3
147.11688	17.9
149.13255	14.3
151.14778	1.1
156.09351	1.2
157.10129	6.4
158.10869	1.5
159.11693	27.1
161.13251	17.6
163.14824	13.4
163.16150	0.6
169.10103	1.0
170.10951	0.9
171.11639	5.9
173.13269	13.3
175.14827	9.1
177.16368	9.3
179.17825	0.9
183.11546	0.9
185.13228	5.1
186.13885	1.0
187.14815	11.9
189.16376	12.9
190.16670	1.1
191.17989	2.6
199.14833	6.6
201.16386	14.9
203.17923	7.9
205.19434	1.9
213.16412	8.7
214.16937	0.8
215.17950	11.6
217.19479	4.0
225.16266	0.8
225.47420	0.6
227.17941	10.2
228.18507	0.8
229.19511	7.8
231.20987	0.8
239.17780	0.7
241.19496	9.2
243.21080	4.0
253.19447	0.8
255.21066	12.3
256.21530	0.8
257.22681	4.5
269.22629	6.5
270.22855	0.7
271.24213	1.5
273.18655	1.1
281.22580	1.2
283.24197	1.8
295.24182	2.6
309.25720	2.7
323.27286	1.2
365.32016	100.0
366.32391	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.5
55.01868	8.1
55.05500	25.7
57.03442	6.7
57.07074	6.9
67.05501	46.2
69.03412	11.6
69.07056	32.4
71.58492	7.0
79.05506	36.8
81.03436	8.2
81.07060	41.3
83.04964	7.9
83.08610	14.3
84.22932	6.1
91.05477	43.4
92.28473	5.9
93.07033	46.9
95.04965	66.7
95.08612	45.5
97.02898	11.1
97.06528	14.5
102.84275	5.4
105.07022	60.9
107.08585	34.5
109.06538	16.2
109.10146	14.5
117.07051	13.3
119.08582	61.4
121.10113	13.2
128.06206	13.9
129.07016	18.0
131.08534	32.5
133.10153	18.8
135.08058	13.9
135.11711	11.7
141.06967	8.4
142.07797	19.4
143.08612	39.6
144.09329	9.5
145.10129	34.9
147.08067	11.1
155.08577	16.5
156.09338	17.0
157.10114	57.4
159.11696	45.2
161.09637	7.4
163.11116	9.0
165.06938	6.7
167.08519	11.4
168.09438	9.6
169.10164	17.5
170.10901	17.8
171.11699	26.9
173.09689	9.1
173.13226	7.5
175.11224	8.2
179.08606	10.2
180.09265	11.7
181.10144	17.3
182.11008	8.5
183.11674	36.4
185.13258	73.7
187.11230	20.0
187.14871	15.0
193.10159	17.1
194.10941	8.7
195.11734	25.5
196.12399	6.7
197.13289	19.7
199.14908	9.1
205.10196	9.1
205.15823	11.0
206.10956	8.4
207.11694	20.2
208.12425	9.3
209.13321	27.0
210.14091	7.2
211.14893	8.7
213.12798	15.3
218.10823	7.3
219.11755	7.7
221.13307	25.2
223.14856	24.5
225.12753	6.6
227.14276	6.5
233.13243	11.9
235.14853	8.9
237.16479	16.8
247.14822	10.0
249.16364	18.5
257.13760	5.8
263.17920	12.6
265.19482	14.2
267.17380	8.7
273.16248	7.5
275.17725	6.9
277.19458	6.2
291.19714	28.1
306.94904	7.0
309.18472	6.0
347.23730	33.5
365.24811	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88525	5.1
53.03934	6.1
55.01354	5.0
55.01877	25.5
55.05503	36.1
55.76899	6.0
56.96560	14.4
57.03445	34.0
61.02926	9.4
67.05505	100.0
69.03421	13.3
69.07058	27.7
71.04993	13.6
71.41253	11.4
79.05493	88.5
81.03418	23.6
81.07059	95.2
83.04984	25.0
83.08610	17.4
85.06544	6.4
91.05480	71.2
93.07048	68.0
95.04986	36.7
95.08605	39.1
97.02884	9.3
97.06506	14.4
97.10172	5.8
105.07036	60.6
107.04958	23.0
107.08581	41.7
107.80482	5.1
109.02866	5.2
109.06506	17.1
109.10141	39.4
111.08081	13.3
113.05972	5.9
114.40250	4.9
117.07030	16.2
119.08593	22.0
121.06512	24.4
121.10149	26.2
123.08089	14.5
123.11684	5.6
129.06990	15.3
131.08582	33.8
133.06493	21.6
133.10136	48.6
135.08052	31.4
135.11662	12.0
143.08540	9.8
145.10135	17.4
147.08018	10.9
147.11662	10.9
149.09642	24.0
149.13257	6.0
151.11179	26.2
157.10129	13.2
159.08066	12.2
159.11661	14.4
161.09624	13.0
161.13210	6.9
163.11166	5.8
171.11638	6.2
175.11171	13.4
177.09094	14.5
185.13329	6.4
191.32246	5.5
245.18993	14.2
248.11940	5.6
253.14384	9.4
259.12183	6.9
263.20007	10.1
273.18524	52.4
285.10046	8.7
291.19611	33.5
347.22278	7.8
365.23236	63.5
365.33472	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	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.4
55.01882	23.3
55.05516	32.9
55.87983	3.5
56.96572	14.1
57.03438	28.5
57.07075	10.7
61.02913	6.1
61.03356	3.2
65.03963	5.3
67.05507	100.0
69.03423	13.8
69.07069	34.0
69.32428	9.6
69.32839	27.5
70.06585	8.8
71.04991	13.5
71.06895	4.0
79.05491	78.8
79.05911	7.0
81.03416	22.1
81.07059	93.8
83.04977	27.0
83.08617	15.7
85.06564	10.9
91.05482	99.0
92.64062	4.1
93.07043	69.4
95.04967	27.2
95.08601	45.9
97.02894	7.6
97.06523	10.1
97.10183	4.8
99.04472	3.6
99.08093	4.0
100.20738	3.3
105.07037	71.2
107.04943	20.8
107.08597	63.9
109.06539	18.1
109.10152	55.6
111.04517	4.0
111.08096	12.3
113.06010	10.7
115.05478	4.0
117.07038	14.8
119.08582	28.1
121.06522	13.7
121.10147	19.5
123.04419	8.2
123.08062	5.2
123.11722	10.6
125.09631	6.7
127.03912	4.7
129.07007	11.1
131.08571	31.1
133.06483	13.9
133.10121	82.0
135.08069	24.6
135.11723	14.1
137.09653	7.3
139.07628	5.2
143.08604	12.0
145.10150	18.5
147.08022	7.3
147.11725	12.2
149.09612	24.7
151.11172	43.8
157.10152	9.7
159.08009	6.5
159.11690	6.6
161.09645	17.1
161.13252	5.9
161.89975	3.8
163.11211	5.7
165.09090	4.3
169.12303	4.6
171.11754	5.1
173.09698	5.5
175.11238	9.5
177.09099	11.6
177.12798	4.1
189.12830	8.1
191.10805	4.2
195.13834	4.7
203.05983	4.0
205.42197	4.1
217.15785	4.9
223.13281	5.2
225.08009	3.4
227.81683	3.8
245.18977	14.5
253.14424	22.9
253.16815	4.1
255.17378	5.4
263.20148	11.7
267.09097	16.4
269.10663	12.1
269.14221	3.8
269.17337	3.6
273.18500	50.1
285.10052	22.0
287.11618	8.7
291.19598	46.0
303.29944	8.7
331.16449	4.0
347.22284	4.8
365.18622	5.1
365.23169	36.8
365.33493	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	365.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.0
55.01865	7.3
55.05509	36.5
56.96548	3.8
57.03437	12.1
65.03937	2.0
67.05504	50.3
69.03427	11.9
69.07066	44.1
69.60651	1.8
70.88533	2.8
70.88893	4.0
71.04982	2.9
72.93783	3.3
79.05492	41.7
81.03422	8.6
81.06581	2.7
81.07056	37.6
83.04980	6.1
83.08622	11.9
84.92014	1.6
85.02882	1.8
85.06530	2.5
91.05479	31.1
93.07041	28.3
95.04956	11.9
95.08607	19.8
97.02884	15.3
97.06553	6.3
97.10172	15.7
105.07029	20.8
107.04945	12.2
107.08579	17.4
109.02904	2.2
109.06524	6.4
109.10157	16.3
111.08112	3.7
115.05501	2.4
117.07022	8.3
119.08576	14.3
121.06557	3.9
121.10127	11.2
123.08082	6.7
125.09618	9.6
128.06184	2.0
129.06982	4.6
131.08543	13.0
133.06493	6.6
133.10141	14.5
135.08054	8.5
135.11696	5.4
137.09612	6.3
143.08572	4.1
145.10146	5.5
147.08029	6.2
147.11703	2.0
149.09590	6.4
149.13228	2.8
151.11188	6.1
151.97499	1.8
152.33739	2.0
157.10115	3.1
159.08067	3.7
159.11708	4.1
161.09624	5.5
163.11195	4.2
165.09172	3.6
169.10194	2.0
171.11597	2.9
171.69409	1.8
173.13246	2.1
175.11191	3.0
177.09103	4.4
177.12752	3.1
180.75519	2.2
189.11212	4.9
195.11716	2.0
205.12372	2.2
223.13307	31.9
245.19014	3.6
263.20047	2.2
267.08871	1.9
273.18515	21.3
291.19550	100.0
292.20093	3.6
365.13977	2.4
365.23187	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	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.9
53.77981	2.2
55.01868	8.4
55.05509	38.2
55.94599	2.0
56.96565	2.4
57.03439	11.1
62.67089	2.1
65.03932	2.1
67.05502	36.9
69.03428	15.6
69.06720	4.2
69.07066	50.2
71.36849	4.2
79.05494	36.0
81.03415	8.2
81.07053	32.4
83.04976	7.6
83.08633	11.4
86.25819	2.5
91.05470	20.3
93.07047	17.1
95.04932	11.9
95.08613	19.3
97.02884	20.2
97.10149	15.3
105.07022	16.6
107.04950	8.0
107.08597	17.6
109.06492	5.7
109.10156	13.3
111.08112	4.7
117.07019	7.2
119.08566	12.2
121.06511	4.1
121.10141	6.8
123.08064	7.2
125.05985	2.6
125.09632	18.4
129.07040	3.9
131.08574	7.7
133.10127	8.0
135.08051	6.2
135.11674	4.4
137.05943	7.9
137.09552	3.6
143.08545	4.3
145.10139	4.4
147.08051	5.8
149.09624	3.1
149.13232	2.8
151.07605	3.3
157.10133	3.6
159.11671	5.2
163.11255	2.9
165.09087	3.1
167.47917	2.4
171.02881	2.5
177.12640	2.6
189.11226	5.8
195.03365	2.3
195.13808	4.4
203.05609	3.0
205.12177	3.9
223.13309	33.0
245.19106	4.4
273.18457	15.1
291.19537	100.0
326.24783	2.3
347.13278	2.4
365.23181	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2302
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
53.03946	0.7
54.17196	0.6
55.01861	1.3
55.05500	3.2
56.96571	3.8
57.03430	3.2
61.02905	1.1
67.05503	7.6
69.03416	2.2
69.07071	4.0
69.81432	3.7
71.04990	1.5
72.93798	0.8
73.02949	0.9
78.75415	0.6
79.05502	6.8
81.03418	1.6
81.07063	6.6
83.04977	0.7
83.08596	1.7
85.02893	1.5
85.06530	1.4
91.05495	4.9
91.74100	0.7
93.07050	6.7
95.04972	2.8
95.08604	4.3
97.02892	1.7
97.06516	2.3
97.10143	0.9
98.97594	2.0
105.07052	4.5
107.04968	0.8
107.08633	4.5
109.06522	3.0
109.10158	2.4
111.08065	0.8
113.05985	2.5
113.06702	0.7
116.98618	1.9
117.07020	1.3
119.08572	2.7
121.06494	1.0
121.10184	2.9
125.05771	1.3
125.09653	1.1
128.98706	0.8
131.00166	0.9
131.08594	0.8
133.10132	1.8
135.08049	2.4
135.11674	2.4
141.07002	0.8
143.08557	1.2
145.10110	1.7
146.99666	0.8
147.08131	0.8
147.11711	1.8
149.01256	2.2
149.13228	1.3
159.11725	0.7
167.02371	1.0
171.11682	1.2
177.00729	1.5
195.09979	1.7
231.10994	1.6
244.28839	0.6
263.12573	2.4
267.09073	1.1
269.10361	1.0
273.18594	2.1
277.21704	1.7
284.12778	1.3
285.10056	4.3
291.19574	2.6
293.05389	1.0
301.13260	0.7
321.04776	0.7
333.19131	1.5
365.23004	100.0
366.23514	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	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.8
55.01875	9.0
55.05516	9.4
56.96557	7.1
57.03439	45.5
57.07064	5.0
61.02913	3.3
65.03949	3.0
67.05504	56.2
69.03419	5.4
69.07076	9.3
69.26073	19.6
70.77522	1.6
71.04980	6.8
73.02887	2.4
79.05063	2.8
79.05491	30.4
81.03416	11.8
81.07055	24.3
83.04978	6.4
83.08622	8.8
85.02905	6.8
85.06548	43.8
91.03952	2.5
91.05482	31.8
93.07047	27.7
94.07401	1.7
95.04972	66.7
95.08602	15.1
97.02888	4.8
97.06510	6.6
103.05501	1.8
105.07034	17.0
107.04961	13.1
107.08604	17.7
109.06521	54.6
109.10154	5.5
111.08085	2.5
113.06004	100.0
115.05437	1.8
116.98589	2.1
117.07021	14.8
119.08588	11.5
121.06499	6.3
121.10155	7.5
123.08046	2.9
123.11854	1.6
128.06218	2.0
129.06993	9.6
131.08565	15.4
133.06500	3.8
133.10130	13.0
135.08063	46.5
135.11685	8.0
143.08589	10.3
145.06462	3.2
145.10110	10.4
147.08058	6.1
147.11691	5.3
149.09598	7.8
149.13287	4.7
155.08588	1.9
157.10141	6.3
159.08061	3.1
159.11670	4.4
161.05856	2.3
161.09645	11.6
161.13243	2.1
163.11183	4.1
171.08138	1.9
171.11739	6.5
173.13289	5.9
175.07588	3.3
175.11206	5.9
177.12743	5.6
181.10016	2.1
189.12767	3.0
189.16425	1.8
190.10759	1.9
193.12213	3.2
195.11729	2.3
199.11156	3.4
199.14842	4.7
201.09032	4.1
201.12790	2.5
205.12241	1.9
217.15897	16.7
219.13765	2.5
227.17879	2.1
237.16422	2.4
245.19070	2.7
255.17365	4.7
267.08981	8.5
267.15891	2.1
268.09421	3.7
269.12311	3.3
273.18506	36.5
284.06415	1.8
285.10126	18.1
286.10388	5.3
291.19543	36.8
347.22333	2.6
365.18716	5.4
365.23074	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	365.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.7
55.01875	6.7
55.05507	7.9
56.96559	1.4
57.03151	2.2
57.03435	44.1
57.07064	2.0
58.02269	1.1
61.02923	5.9
65.03941	2.9
67.05505	48.1
69.03423	4.4
69.07065	5.3
69.49460	5.9
69.49886	3.7
71.04987	4.0
72.93775	2.9
73.02908	2.3
79.05492	21.4
81.03411	9.8
81.07059	20.0
83.04968	3.1
83.08610	5.0
85.02887	6.4
85.06544	38.0
90.94814	1.8
91.03966	1.0
91.05477	22.0
93.07042	19.0
95.04967	59.2
95.08608	11.3
97.02908	2.8
97.06523	4.4
97.10148	1.2
103.05488	1.2
105.07027	16.7
107.04952	10.5
107.08599	14.1
109.02888	1.2
109.06518	46.7
109.10156	4.5
111.08071	2.9
113.06003	100.0
117.07008	8.4
119.08573	13.4
121.06470	5.2
121.10134	4.8
123.08060	3.8
128.06186	2.6
129.07031	7.7
131.08556	13.9
132.15514	1.0
133.06477	3.8
133.10139	8.9
135.08055	28.6
135.11673	4.3
137.09630	1.9
138.98282	1.1
141.06947	1.7
142.07796	1.9
143.08499	5.8
145.06441	1.7
145.10155	7.9
147.08041	5.2
147.11674	3.5
149.09604	4.7
149.13217	1.9
155.08516	1.3
157.10150	7.4
159.08055	3.5
159.10442	1.2
159.11601	6.0
161.09612	8.7
161.13297	1.1
163.11194	2.5
171.11720	4.3
171.80110	1.3
173.09560	1.7
173.13240	2.6
174.99008	1.9
175.07486	1.7
175.11174	4.3
175.15004	1.4
177.12726	1.9
179.14426	1.3
183.11685	2.7
184.98940	1.4
185.13281	1.6
189.00568	2.3
189.12714	1.3
193.12239	5.0
199.14746	3.0
201.09134	1.3
201.12785	2.9
211.13310	3.2
217.15871	12.5
219.13889	1.7
233.15245	1.2
242.08464	1.3
245.18840	2.6
255.17294	2.3
265.05148	2.1
267.09158	1.5
273.18466	20.3
282.06567	1.4
283.06195	14.0
284.06528	2.0
285.10098	3.2
285.17010	2.0
291.19507	21.7
301.07324	3.6
306.07867	1.6
310.93497	1.2
347.22064	1.6
365.19156	3.2
365.23294	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.3
55.01864	10.9
55.05512	42.2
56.96562	9.2
57.03422	22.6
61.02931	6.8
67.05505	53.5
67.31030	3.8
69.03419	17.0
69.07072	64.8
71.04984	7.2
71.59029	6.3
72.93795	6.3
79.05498	46.9
81.03414	15.4
81.07063	45.7
83.04989	5.2
83.08607	19.6
85.02933	6.5
89.88766	3.6
91.05482	30.8
93.07040	27.6
95.04972	16.5
95.08606	22.0
95.40827	3.9
97.02895	18.6
97.06522	7.4
97.10152	19.1
105.07018	21.8
107.04966	14.8
107.08585	24.9
109.06523	10.0
109.10138	20.2
111.08081	4.6
117.07035	7.5
119.08586	21.9
121.06486	4.6
121.10146	9.9
123.08053	10.0
125.09625	17.2
129.07002	7.4
131.08562	16.7
133.06477	5.6
133.10103	11.3
135.08061	8.6
135.11699	4.9
137.09636	6.1
143.08473	5.1
145.10133	7.5
147.08014	7.3
147.11699	6.9
149.13187	3.7
157.10081	4.2
157.46312	3.6
159.11720	5.6
161.09621	4.2
184.07321	4.6
189.11206	10.6
189.12831	5.1
223.13200	29.4
259.12167	8.2
269.10583	5.7
271.06302	6.4
273.18362	19.2
279.08371	4.6
291.19543	100.0
292.20099	6.1
347.13113	24.7
354.40268	4.0
365.23300	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.7
55.01870	7.9
55.05262	2.5
55.05512	33.5
56.96571	10.6
57.03431	10.6
57.07067	1.7
59.04993	1.9
59.63608	1.2
61.02921	3.4
65.03949	3.1
67.05499	44.2
69.03423	13.7
69.07066	48.0
71.04981	3.6
73.02914	3.6
79.05492	36.6
81.03414	7.5
81.07052	32.7
83.04976	6.1
83.08626	13.3
85.02917	4.6
85.06551	1.9
91.03983	2.6
91.05478	28.8
93.07046	30.7
95.04958	13.4
95.08610	18.8
97.02894	18.4
97.05982	1.2
97.06521	7.5
97.10160	17.0
98.21559	2.3
105.07028	21.1
107.04948	13.8
107.08582	19.6
109.02915	1.9
109.06526	8.3
109.10143	16.7
109.72178	1.5
110.19077	1.3
111.08080	4.0
116.13058	1.3
117.07075	8.7
119.04937	2.6
119.08581	15.5
121.06515	4.2
121.10120	10.8
123.08078	7.2
125.09634	14.1
129.07024	4.3
131.08565	11.1
133.06483	3.4
133.10136	13.8
135.08043	8.0
135.11740	5.0
137.06062	1.5
137.09605	4.8
143.08569	6.4
144.09254	1.6
145.06514	1.7
145.10138	10.7
147.08051	6.2
147.11699	6.0
149.09596	5.4
149.13249	3.2
151.11197	4.9
151.80237	1.4
155.08650	1.6
157.10107	6.2
159.03777	1.7
159.11719	4.9
161.09607	7.8
163.11151	2.9
165.09152	3.0
169.10149	2.3
171.10242	1.6
171.11656	2.7
175.11197	2.5
177.09013	1.8
177.12740	3.6
184.08173	1.6
185.13303	1.8
189.11269	8.0
189.12721	2.2
195.11688	1.6
195.13817	2.6
199.14786	1.6
205.12160	3.1
217.07498	2.3
221.08124	2.0
223.13293	28.7
241.07628	1.7
245.18988	2.5
253.14474	2.1
255.17487	2.8
259.08395	1.9
263.20050	2.6
267.09012	4.1
269.10641	5.4
273.18512	17.2
284.13550	2.6
285.10074	4.9
287.11655	3.8
289.82144	1.4
291.19534	100.0
292.20013	2.9
294.02155	1.7
347.22278	2.4
351.05380	1.8
365.16537	2.4
365.23233	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	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.3
55.01864	10.9
55.05512	42.2
56.96562	9.2
57.03422	22.6
61.02931	6.8
67.05505	53.5
67.31030	3.8
69.03419	17.0
69.07072	64.8
71.04984	7.2
71.59029	6.3
72.93795	6.3
79.05498	46.9
81.03414	15.4
81.07063	45.7
83.04989	5.2
83.08607	19.6
85.02933	6.5
89.88766	3.6
91.05482	30.8
93.07040	27.6
95.04972	16.5
95.08606	22.0
95.40827	3.9
97.02895	18.6
97.06522	7.4
97.10152	19.1
105.07018	21.8
107.04966	14.8
107.08585	24.9
109.06523	10.0
109.10138	20.2
111.08081	4.6
117.07035	7.5
119.08586	21.9
121.06486	4.6
121.10146	9.9
123.08053	10.0
125.09625	17.2
129.07002	7.4
131.08562	16.7
133.06477	5.6
133.10103	11.3
135.08061	8.6
135.11699	4.9
137.09636	6.1
143.08473	5.1
145.10133	7.5
147.08014	7.3
147.11699	6.9
149.13187	3.7
157.10081	4.2
157.46312	3.6
159.11720	5.6
161.09621	4.2
184.07321	4.6
189.11206	10.6
189.12831	5.1
223.13200	29.4
259.12167	8.2
269.10583	5.7
271.06302	6.4
273.18362	19.2
279.08371	4.6
291.19543	100.0
292.20099	6.1
347.13113	24.7
354.40268	4.0
365.23300	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	12.1
55.01868	17.3
55.05508	34.5
57.03436	30.3
57.07077	7.8
59.04992	9.8
65.03934	5.6
67.05504	100.0
67.35886	3.4
69.03434	11.6
69.07069	42.5
71.04994	7.6
71.58989	8.1
78.73447	3.8
79.05494	81.6
81.03419	14.6
81.07055	86.7
83.04982	26.7
83.08622	19.2
85.06531	4.8
90.19328	3.8
91.05479	87.0
91.06008	6.2
93.07049	74.9
95.04971	32.5
95.08607	46.7
97.02882	9.0
97.06525	14.3
97.10178	11.6
99.04464	5.5
105.07030	68.0
107.04980	31.7
107.08604	60.5
109.06544	14.3
109.10164	49.1
111.08069	9.8
113.05973	6.2
113.09637	4.4
117.06999	19.0
119.04912	5.6
119.08582	23.4
119.36911	3.3
121.06513	16.7
121.10172	18.5
123.08110	6.8
123.11743	10.6
125.09606	6.4
128.06203	5.0
129.06995	9.5
131.08575	25.1
133.06494	15.0
133.10126	81.9
135.08014	21.0
135.11700	17.1
137.09576	8.6
139.07567	5.1
139.11183	4.3
142.07715	3.6
143.08565	12.5
143.26503	3.6
145.10155	12.7
147.08064	5.8
147.11711	11.8
149.08595	4.3
149.09583	22.7
149.13330	4.5
151.11160	31.4
156.09348	4.3
157.10178	9.6
159.08124	11.9
159.11722	6.6
161.09587	16.6
161.13255	5.4
163.11223	9.0
169.12187	4.6
171.11726	11.0
173.13222	4.6
175.11179	6.7
177.09172	13.3
179.14421	5.3
189.12779	4.2
223.13260	12.1
239.88013	4.0
245.19020	12.2
253.14322	16.0
273.18427	42.6
291.19568	53.1
324.04761	4.0
329.88879	3.9
365.23334	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	365.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	14.4
55.05505	20.9
56.96553	6.4
57.03436	55.5
65.68932	5.1
67.05500	72.6
69.03416	7.6
69.07055	26.7
69.08832	5.0
69.33748	60.8
71.15833	5.9
73.66943	5.3
79.05493	29.7
79.54415	5.2
81.07043	53.6
83.04999	6.8
83.08636	8.4
85.06546	35.0
91.05474	43.6
93.07045	39.4
95.04958	66.6
95.08603	41.7
97.06558	9.0
101.27058	5.0
105.07027	37.0
107.04972	10.8
107.08590	46.6
109.06522	61.0
109.10168	21.2
113.06007	100.0
117.07017	19.1
119.08595	30.7
121.06499	7.6
121.10174	17.3
123.11721	7.9
124.81757	6.9
129.07002	9.8
131.08565	27.2
133.06471	7.3
133.10187	26.5
135.08018	45.7
135.11679	14.7
143.08504	7.4
145.06525	8.8
145.10127	18.3
147.11707	10.4
149.09622	9.5
149.13248	11.8
157.10144	13.6
159.11667	30.3
161.09679	6.8
161.13226	9.8
163.14899	7.4
171.11633	9.7
173.13214	8.7
185.13255	5.8
187.14740	9.0
189.16434	13.9
199.14731	6.7
201.16376	6.3
213.16312	6.7
215.18034	7.7
217.15910	21.4
220.81384	6.8
221.28242	5.8
222.86116	5.7
227.17969	8.8
241.19780	6.6
242.09383	5.4
245.34138	4.8
255.21156	8.1
273.18491	36.1
284.12714	13.2
291.19501	26.5
328.69955	5.6
365.19202	6.2
365.23141	65.3
365.31989	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	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.4
55.01882	23.3
55.05516	32.9
55.87983	3.5
56.96572	14.1
57.03438	28.5
57.07075	10.7
61.02913	6.1
61.03356	3.2
65.03963	5.3
67.05507	100.0
69.03423	13.8
69.07069	34.0
69.32428	9.6
69.32839	27.5
70.06585	8.8
71.04991	13.5
71.06895	4.0
79.05491	78.8
79.05911	7.0
81.03416	22.1
81.07059	93.8
83.04977	27.0
83.08617	15.7
85.06564	10.9
91.05482	99.0
92.64062	4.1
93.07043	69.4
95.04967	27.2
95.08601	45.9
97.02894	7.6
97.06523	10.1
97.10183	4.8
99.04472	3.6
99.08093	4.0
100.20738	3.3
105.07037	71.2
107.04943	20.8
107.08597	63.9
109.06539	18.1
109.10152	55.6
111.04517	4.0
111.08096	12.3
113.06010	10.7
115.05478	4.0
117.07038	14.8
119.08582	28.1
121.06522	13.7
121.10147	19.5
123.04419	8.2
123.08062	5.2
123.11722	10.6
125.09631	6.7
127.03912	4.7
129.07007	11.1
131.08571	31.1
133.06483	13.9
133.10121	82.0
135.08069	24.6
135.11723	14.1
137.09653	7.3
139.07628	5.2
143.08604	12.0
145.10150	18.5
147.08022	7.3
147.11725	12.2
149.09612	24.7
151.11172	43.8
157.10152	9.7
159.08009	6.5
159.11690	6.6
161.09645	17.1
161.13252	5.9
161.89975	3.8
163.11211	5.7
165.09090	4.3
169.12303	4.6
171.11754	5.1
173.09698	5.5
175.11238	9.5
177.09099	11.6
177.12798	4.1
189.12830	8.1
191.10805	4.2
195.13834	4.7
203.05983	4.0
205.42197	4.1
217.15785	4.9
223.13281	5.2
225.08009	3.4
227.81683	3.8
245.18977	14.5
253.14424	22.9
253.16815	4.1
255.17378	5.4
263.20148	11.7
267.09097	16.4
269.10663	12.1
269.14221	3.8
269.17337	3.6
273.18500	50.1
285.10052	22.0
287.11618	8.7
291.19598	46.0
303.29944	8.7
331.16449	4.0
347.22284	4.8
365.18622	5.1
365.23169	36.8
365.33493	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	365.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59721	0.5
69.58619	1.3
69.59039	2.9
91.90343	0.5
96.42068	0.6
119.01933	2.5
131.01912	1.5
137.01941	1.4
137.51982	0.6
143.01915	1.7
145.03369	0.8
161.02931	1.8
173.03003	2.3
184.46512	0.6
185.03040	1.6
185.04228	31.0
197.03004	0.6
203.05275	68.6
221.06427	0.7
245.05078	4.8
263.06198	1.0
284.37741	0.6
286.17297	0.7
322.95245	1.3
365.10547	100.0
366.10999	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	365.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02249	1.3
52.03095	1.4
62.76054	1.2
69.42611	12.0
84.08131	1.3
96.09184	1.2
101.00873	2.0
113.00866	1.4
118.01173	1.3
119.01891	8.4
131.01917	3.9
133.03474	2.0
143.01895	2.6
145.03488	4.9
155.01913	2.9
155.97267	1.3
157.03471	2.5
161.02994	4.8
163.04524	1.2
167.01971	1.5
173.02953	7.7
185.02899	3.8
185.04256	28.3
197.03079	2.4
203.05289	61.5
235.06657	2.2
245.05173	5.1
253.07719	2.9
255.07834	1.3
277.07773	3.0
289.07782	4.5
365.10574	100.0
366.11017	3.6
379.57651	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.2
56.96564	7.0
57.03429	2.0
61.02896	1.1
67.05507	1.1
69.03432	5.2
69.70194	6.1
80.61483	0.9
81.03422	1.8
85.02917	4.9
93.07061	1.0
94.06583	1.8
95.04965	1.3
95.07506	0.9
97.02918	3.2
98.20951	3.3
98.97573	11.9
106.33514	1.1
109.02895	2.0
111.00835	2.4
111.04479	1.1
116.98615	10.6
117.03421	1.1
120.04500	1.0
120.08070	2.0
122.06035	3.4
124.07586	1.2
125.02340	1.1
126.03079	2.3
127.03913	9.2
128.98610	1.7
130.06508	1.4
134.99655	7.1
136.07562	2.1
137.05949	1.7
138.05478	2.1
139.03896	1.6
140.05324	1.6
140.07062	2.7
141.05501	2.0
143.03415	1.7
146.99673	2.6
155.03378	20.3
155.04568	1.6
157.05705	1.2
158.04565	1.0
158.06078	1.4
158.97408	2.0
158.99594	2.5
162.09131	6.0
165.45100	1.2
168.04254	1.3
169.04980	6.9
170.05743	100.0
171.02797	1.1
171.06294	1.2
177.00706	8.1
180.10242	3.3
181.01523	1.1
185.04378	2.5
186.05824	4.7
189.00786	1.4
195.01732	1.5
202.10710	1.1
203.05354	4.9
204.06895	3.7
208.09669	16.1
219.01799	3.6
221.06937	1.3
234.98962	2.6
237.02849	8.3
238.69254	1.2
240.10503	1.3
267.11139	2.6
285.12256	5.1
286.10605	2.1
302.10236	1.1
303.13419	2.4
305.09290	2.9
321.02588	1.4
323.10156	17.4
329.11328	1.6
330.09744	3.3
347.12509	2.2
365.10403	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	364.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.9
55.05265	3.0
55.05512	35.0
57.07060	4.6
57.78485	1.6
58.31451	1.7
59.46550	1.7
60.08160	5.6
65.03931	4.8
67.05506	78.1
68.94398	2.0
69.07071	31.4
70.33585	4.6
71.04987	3.9
73.02918	3.1
79.05062	3.3
79.05493	46.3
81.06582	3.5
81.07059	67.1
83.08614	9.4
84.08427	1.5
85.06549	2.2
86.09718	1.8
91.05486	22.0
93.06472	3.4
93.07041	53.6
95.04969	4.9
95.08056	3.1
95.08609	44.8
95.73178	1.7
97.06528	2.5
97.10181	4.4
98.20815	2.1
99.04436	3.0
105.04512	2.3
105.07040	9.4
107.08600	31.6
109.06538	1.6
109.10155	16.3
119.08588	9.1
121.10142	17.4
122.34245	1.7
123.11710	4.0
131.08592	2.5
133.10106	6.0
135.11688	9.0
145.10120	3.6
147.11702	3.8
149.13271	5.3
154.54622	1.8
163.14716	2.6
182.24998	1.6
225.92458	1.6
304.36975	2.0
305.24738	100.0
306.25137	2.6
346.63632	1.7
364.32101	86.9
365.32541	3.0
369.83139	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79090	0.5
60.04501	0.9
62.17980	0.5
65.18878	0.5
67.05453	0.6
69.03409	0.8
70.06588	0.5
70.55978	1.0
78.96981	0.5
79.05477	0.7
85.02888	0.6
85.35828	0.5
85.39191	0.5
93.07030	0.7
95.08642	0.5
105.06975	0.6
107.04906	0.8
107.08549	0.6
139.11156	0.5
141.96487	0.5
147.04401	0.8
161.40935	0.5
171.00562	1.3
185.04216	6.1
203.03148	100.0
204.03499	1.6
217.09877	0.9
221.04367	0.6
244.05809	0.9
245.09172	2.2
253.42151	0.5
259.10959	0.6
263.10303	1.2
287.10352	0.9
305.11368	3.3
323.12402	1.2
333.10846	0.8
365.08490	21.3
365.13452	2.9
366.08987	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22588	2.3
55.01631	2.2
55.01874	29.4
55.05496	2.5
57.07075	59.9
58.99573	5.9
62.46534	2.0
62.99063	2.3
64.78416	2.1
66.94932	2.1
67.05492	3.6
69.07043	2.2
71.08633	47.0
71.58770	4.3
71.60679	1.8
73.02916	100.0
77.00616	9.8
85.10188	30.6
96.37615	2.0
99.11739	3.1
105.00092	98.7
113.13251	2.6
115.00467	2.1
123.01090	4.5
140.88652	2.0
153.53787	2.1
172.95380	2.6
177.02203	11.9
235.13338	2.2
262.40210	2.1
269.03455	2.5
334.26566	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2324
Annotation	Tricalysiamide C
Peak:m/z	Relative Intensity
52.60429	0.6
53.74010	0.6
54.05186	0.7
55.05520	1.4
56.05019	0.9
57.07082	7.1
67.05507	3.3
68.05013	4.5
69.07058	1.9
69.78395	1.4
69.78814	3.1
70.02946	1.0
71.08629	8.7
79.05508	1.6
80.05009	1.3
81.07043	5.8
81.48208	0.7
82.06567	3.0
83.08614	0.9
85.10181	4.6
88.07630	3.4
91.05475	5.2
93.07040	1.6
95.04970	12.0
95.08593	5.6
96.04507	3.2
96.05118	0.7
98.20755	1.3
102.18146	0.6
103.05445	2.0
107.04956	12.8
107.05639	1.3
107.08586	0.7
112.77806	0.7
117.06996	2.0
119.04114	0.9
119.04944	14.2
121.06495	6.5
122.05988	1.2
123.04429	24.2
123.05328	1.4
124.96108	0.7
136.07573	1.7
137.05923	0.8
137.13176	1.0
144.33571	0.7
145.06508	4.8
146.05992	1.4
147.04396	7.0
155.14293	1.4
156.86687	0.7
159.08058	1.1
160.07574	5.2
162.09137	13.1
165.05498	5.4
173.66020	0.7
182.05154	0.6
192.17535	0.8
194.19102	1.0
196.16997	2.3
198.18535	16.9
208.09692	9.4
208.16893	1.6
210.18544	1.2
270.27762	1.1
298.21588	1.6
316.22708	21.5
362.23236	100.0
362.32666	8.4
363.23657	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	362.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41442	3.2
53.93456	3.3
57.03429	5.6
60.04525	8.3
69.03417	13.9
69.07050	3.3
69.30868	11.6
69.31288	27.8
70.06567	5.3
71.19247	3.2
73.02916	5.2
75.06813	3.0
80.54357	3.5
81.03411	9.3
85.02901	54.0
86.09642	3.9
88.20338	3.0
91.05482	5.7
95.04964	4.7
95.16038	3.3
95.86739	3.5
97.02886	14.7
97.06543	4.8
98.97549	3.5
99.04466	3.4
105.07019	20.7
105.95778	3.0
107.04942	11.6
108.05282	4.6
108.79408	3.8
109.02876	3.8
110.13377	3.4
111.34815	3.3
123.04416	45.1
124.07585	3.2
127.03888	9.5
133.06490	34.3
137.05977	100.0
139.03931	5.9
140.07066	4.9
145.04906	8.6
148.59114	3.3
149.05972	5.4
165.05478	28.8
165.09074	23.3
168.06535	4.5
177.14908	3.7
183.06421	5.3
183.10178	24.7
213.03754	4.6
254.13417	3.9
344.24411	4.6
362.14920	21.1
363.11835	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	362.2322
Annotation	Gomandonine
Peak:m/z	Relative Intensity
55.05515	38.9
56.05030	4.8
57.07066	5.3
67.05492	13.5
69.03428	3.6
69.07067	6.4
70.06582	4.4
71.58907	6.1
79.05483	11.9
80.74419	2.8
81.07031	14.1
83.08621	15.6
83.55654	3.0
86.06054	5.3
88.07637	35.5
91.05460	4.9
93.07035	11.1
94.06530	6.1
95.08612	4.1
97.10182	28.6
105.07030	5.5
106.06586	4.1
107.07300	9.7
107.08577	9.3
108.08086	4.7
112.10104	3.3
115.51939	3.3
117.07029	3.7
120.08092	8.0
125.09588	12.0
132.08060	4.6
132.10223	8.7
134.09639	10.7
135.10365	3.5
136.07550	13.3
138.09157	5.2
145.08876	3.8
147.08095	3.0
148.11172	10.6
149.08459	4.0
149.11914	3.7
150.07977	4.7
150.09138	47.6
174.12801	21.3
190.12251	13.9
192.13829	55.4
270.25089	3.3
270.27872	24.3
298.21381	4.6
298.76675	3.6
300.28976	4.6
314.30429	7.4
316.22867	5.7
320.18539	12.7
326.21027	22.5
344.17960	4.3
344.22183	81.1
362.23239	100.0
362.32645	88.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	0.9
55.01868	1.0
55.79913	0.7
57.03411	1.3
58.99572	2.4
60.04518	1.7
61.02922	1.4
64.97906	0.8
67.05499	2.4
67.12286	0.8
69.03416	3.6
70.06567	1.2
71.58138	1.4
73.02917	1.0
76.02218	3.5
79.05482	2.4
81.03414	2.0
81.07047	0.9
83.04978	1.0
84.08138	0.9
85.02907	17.3
86.09705	1.0
86.99066	1.2
87.04494	0.8
91.05469	5.6
93.07053	1.0
97.02876	3.0
105.00100	1.6
105.07018	2.2
107.04978	1.8
107.08592	1.6
109.02870	1.6
109.06519	1.0
109.10157	2.9
117.07019	4.0
119.08559	2.3
121.06550	4.2
122.02728	13.6
123.04425	14.0
123.08078	0.9
127.03865	2.3
129.06969	0.7
131.08557	9.3
136.07561	1.0
137.05989	2.5
137.09625	4.0
138.81879	1.0
145.05011	1.8
147.08069	2.6
149.09615	2.8
154.08557	1.1
159.08055	3.5
161.09636	1.2
165.05486	10.9
165.09117	100.0
166.09459	1.8
177.09102	12.6
180.08719	0.9
183.06531	2.0
183.10138	3.7
187.07529	3.2
189.09068	1.9
200.12854	1.8
205.08553	1.7
245.61174	0.8
291.12238	1.6
295.03311	0.8
362.18378	1.8
363.16229	1.3
368.68048	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39771	1.2
59.61454	1.2
67.05495	4.0
69.07067	1.7
70.18041	2.3
70.18433	3.5
78.61900	1.4
79.05499	14.7
81.03403	7.2
81.07037	1.1
91.05474	4.5
93.07036	5.1
95.04958	7.3
95.08610	1.4
97.02919	1.3
97.66823	1.2
98.21441	1.3
105.07054	5.9
107.04958	2.3
107.08613	8.6
116.12630	1.3
117.06992	2.2
119.08562	3.6
121.02856	3.1
121.06494	6.2
128.06186	1.9
131.04958	1.5
131.08569	3.2
133.10158	4.6
137.05870	1.3
143.08588	2.8
145.06519	2.9
145.10088	1.9
147.08063	1.3
149.05986	1.3
157.10178	1.5
159.08076	3.0
161.05969	15.9
161.09621	22.4
165.07080	1.3
167.08606	3.6
169.10133	2.2
171.08128	2.0
181.10159	2.1
185.09625	3.2
205.08382	1.3
207.11746	1.4
209.09668	1.4
211.11192	2.2
225.12749	5.7
235.11188	3.8
237.12784	2.8
249.11255	4.4
253.12305	5.1
271.13306	12.8
281.11835	5.2
286.13763	1.3
295.11874	1.2
299.12756	16.8
317.13831	100.0
318.14282	3.5
362.16016	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	361.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
66.99792	0.5
69.67573	0.9
69.67984	3.0
70.06603	0.6
74.98534	0.5
85.02892	0.8
93.07042	0.8
123.04385	0.7
135.08165	0.6
135.66716	0.5
137.05962	0.8
153.05458	0.9
167.06909	0.7
171.21863	0.6
181.04895	0.7
191.07130	0.6
199.09488	0.7
209.10031	0.8
220.59233	0.6
258.05530	0.6
265.49084	0.7
301.12485	1.0
329.06403	0.7
357.93158	0.5
361.14670	100.0
362.15060	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	361.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	20.7
57.03422	10.9
57.07078	12.9
66.77254	8.4
67.05494	43.9
69.03417	27.6
69.07079	51.8
70.09726	49.6
71.04988	17.2
73.39623	8.3
78.19833	8.4
79.05494	41.7
79.33380	9.5
81.07063	100.0
83.08611	26.2
85.02906	16.2
85.06554	10.1
91.05487	42.5
93.07034	65.5
95.04967	23.3
95.08604	83.6
96.76034	8.5
97.02903	21.6
97.06539	28.9
97.81296	9.7
98.21413	12.4
99.08106	10.3
103.05485	11.8
103.09557	10.3
105.07018	43.4
107.04982	12.4
107.08588	51.4
109.06532	10.9
109.10187	55.2
119.08587	41.1
121.06481	12.9
121.10165	37.2
123.11731	35.5
125.09619	23.1
131.08536	13.9
133.06450	10.8
133.10118	29.4
135.11694	21.0
137.06006	19.8
137.09567	9.4
145.06458	12.7
145.10144	20.3
147.11668	17.8
151.07590	12.3
153.05542	18.9
159.11771	12.4
161.05960	24.3
163.03888	9.6
163.11137	9.7
167.07069	43.8
175.14812	10.5
181.05043	11.4
181.08562	14.4
345.85406	9.8
361.09061	18.8
361.13113	11.8
361.21252	12.9
362.19638	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	361.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51762	7.0
55.01846	9.5
55.05493	17.3
57.07073	13.5
67.05490	31.8
67.36057	7.2
69.03433	19.4
69.07076	39.7
69.44768	27.4
69.45198	35.0
71.04982	19.2
79.05490	21.3
81.07057	100.0
83.08613	14.2
83.72353	6.5
85.02910	9.6
85.06539	27.8
91.05471	24.8
93.07027	38.1
94.08035	7.7
95.04971	7.1
95.08607	68.0
97.06519	18.0
97.10120	10.2
98.21572	13.9
99.08084	9.6
105.07017	24.2
107.04949	9.3
107.08604	55.2
109.06518	13.5
109.10167	35.6
111.08067	21.0
119.08593	12.8
121.06535	7.6
121.10152	20.5
122.05986	8.8
123.04472	8.0
123.08067	7.8
123.11724	38.5
123.20250	7.3
125.09660	12.9
133.10168	11.4
135.11725	15.9
145.10106	9.0
147.04411	13.1
147.11702	18.8
149.13280	14.4
153.12823	8.1
161.06001	9.2
163.14864	12.2
165.12811	8.3
167.07100	14.9
176.76775	7.6
181.12154	8.5
182.08241	7.8
186.12570	7.7
215.17900	8.5
251.20139	16.8
289.25281	9.5
301.07202	17.4
307.26724	9.3
315.04663	8.1
329.06351	10.5
331.04489	15.3
346.06821	16.5
361.09244	70.4
361.13275	11.6
361.22604	11.9
362.19446	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	361.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60169	1.2
65.46786	1.2
70.88042	3.9
78.71959	1.2
95.65166	1.3
116.29252	1.4
155.08589	2.4
157.49539	1.4
165.06956	10.3
166.07761	2.1
178.07819	3.1
179.08574	19.7
181.06490	2.6
183.08037	29.8
189.07011	5.1
191.08527	4.5
193.06503	5.8
194.07254	3.3
195.07976	2.9
207.08051	58.7
208.08617	2.3
209.09679	5.2
210.09073	6.7
211.07541	13.5
217.06413	6.7
219.08072	3.6
221.05881	12.3
223.07645	3.3
234.09181	4.7
235.07533	100.0
236.10692	3.4
237.09103	9.5
238.08586	3.6
239.07010	56.0
252.10193	67.9
253.08606	2.5
262.08688	2.3
263.06985	8.8
280.09674	13.7
281.08081	48.5
284.09113	4.6
297.09149	2.6
297.12329	41.4
298.10696	73.0
315.13330	12.0
326.10129	11.0
327.08536	3.3
343.12897	36.1
344.11273	3.3
361.14069	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	361.0917
Annotation	Centaureidin
Peak:m/z	Relative Intensity
55.01878	0.5
55.05488	0.9
67.05511	0.7
68.99795	4.0
69.03420	0.9
70.88319	0.9
79.05489	0.8
80.85226	0.5
81.07041	1.3
82.96265	0.5
84.06870	0.4
87.48647	0.4
91.05476	1.1
93.07033	0.8
95.04972	0.8
95.08582	0.9
96.00198	0.5
105.07017	0.8
107.08582	0.6
109.12817	0.5
111.04423	0.6
119.04927	2.0
119.08594	0.5
121.06456	0.6
133.01793	0.4
133.02824	0.7
137.06009	0.7
139.00258	1.2
147.04401	3.0
147.11629	0.5
149.02356	7.8
150.03137	0.9
153.01820	3.6
153.05405	1.4
163.03917	1.4
164.04715	4.2
165.01872	0.5
165.05473	1.8
167.03487	0.6
167.07115	1.1
168.00548	1.2
169.01315	4.8
171.02829	0.5
173.56702	0.5
177.05495	3.4
178.06210	0.8
179.03333	1.2
179.07034	6.3
182.02109	1.7
183.02879	16.1
185.00829	4.6
186.01573	1.3
187.03925	1.0
189.09096	0.7
189.73784	0.4
193.04935	0.8
200.03203	1.2
202.06296	0.8
207.03062	0.5
209.04515	0.6
212.04758	0.5
215.03432	1.5
218.02179	0.6
229.04997	1.9
230.05780	0.9
232.03619	1.2
233.04500	1.7
235.05991	1.2
240.04106	1.2
241.05060	1.5
243.02899	2.4
246.01540	1.0
247.06065	1.9
257.04443	1.5
258.05215	1.8
259.05905	0.7
260.03149	1.5
261.03946	3.2
267.02856	0.7
268.03653	1.0
269.04431	1.0
271.02414	2.7
273.04196	0.6
275.05475	2.7
285.03937	4.2
286.04724	5.2
294.42657	0.6
299.01883	3.4
299.05334	0.8
300.02649	5.5
300.06335	2.2
301.07007	5.3
303.04993	5.9
313.03427	5.5
314.04260	3.5
315.04968	11.3
316.02194	1.0
328.05780	3.7
329.06558	4.6
331.04474	22.4
332.04837	0.7
345.06058	0.7
346.06793	16.9
347.07382	0.7
361.09161	100.0
362.09390	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	360.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	49.5
65.75709	12.1
67.05504	83.2
69.07061	44.4
69.33784	98.8
69.34206	49.7
71.04999	81.4
79.05500	100.0
81.07060	63.4
83.08632	16.7
91.05484	34.5
93.07062	64.6
95.08606	40.5
97.06517	14.6
97.10170	30.1
105.07072	31.5
107.08600	62.4
108.18953	14.1
109.10184	67.5
118.79833	12.7
121.10132	65.5
125.09615	21.4
139.69081	13.2
145.10182	13.9
147.11607	12.9
153.12749	28.3
173.11723	82.6
189.11250	25.6
237.20831	13.1
275.20016	50.5
360.28967	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	361.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75658	1.4
56.05025	1.8
56.96565	22.0
64.73603	1.4
70.06585	5.5
71.24799	3.2
71.25176	2.9
72.08144	7.1
78.31918	1.3
81.07054	1.4
83.12518	1.4
84.04494	3.8
84.08157	3.3
84.96030	10.7
86.09713	8.3
87.10058	2.4
93.07044	2.3
95.04972	1.6
98.97575	37.5
100.22272	1.6
102.97053	2.9
110.97569	4.8
116.98618	27.5
119.01926	3.3
120.08112	3.0
128.98599	14.0
129.10236	2.7
131.00160	2.1
134.99646	20.7
140.00134	2.4
143.00175	3.7
143.01958	1.8
144.98053	2.5
146.99635	14.0
149.01239	3.4
152.98628	2.8
153.00667	3.0
158.99640	8.6
161.01242	7.6
161.02948	5.6
162.03246	1.9
162.99174	4.8
165.00719	3.1
170.99658	8.0
173.01181	2.0
177.00732	13.8
186.28212	1.6
189.00739	4.1
191.02199	2.0
195.01797	2.4
201.00737	1.6
203.03851	1.9
219.01691	11.4
226.98642	4.2
237.02785	32.8
255.03920	3.8
256.02420	1.6
275.07974	10.1
293.09058	100.0
294.09457	2.9
311.10159	22.7
316.10809	8.2
334.11459	1.9
335.10114	12.0
361.08563	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	12.4
55.05510	81.8
57.03439	12.5
59.05003	67.1
65.19042	7.3
67.05508	100.0
69.03419	11.2
69.06782	8.8
69.07072	95.9
71.05003	52.1
73.02909	9.8
73.55910	7.8
76.31382	7.9
79.05502	71.4
81.03432	23.5
81.07046	67.6
83.04993	14.6
83.08613	39.1
85.06532	8.4
91.05492	37.4
93.07053	56.7
95.04949	30.7
95.08585	21.1
97.06527	44.6
97.10178	61.9
105.07039	21.5
107.08591	32.7
109.06499	15.2
109.10168	19.1
111.08080	10.7
115.07583	40.0
117.07032	12.0
119.08624	18.5
121.06522	12.5
121.10120	15.4
123.04488	9.3
123.08054	7.8
125.09645	60.8
128.06128	9.6
129.06940	9.6
131.08566	11.4
133.10065	11.7
135.07997	12.6
145.10123	10.6
146.14146	7.9
147.11676	13.5
159.11697	8.2
173.11717	18.7
185.07042	10.6
189.11232	29.3
213.06561	8.1
223.13240	16.9
237.14717	10.7
273.18646	9.3
325.20453	10.2
339.64438	7.9
360.24023	11.4
360.28912	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	360.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03639	19.3
55.05504	56.8
63.10983	15.1
67.05505	97.4
69.07061	34.8
69.20508	14.8
70.12306	31.6
70.12715	70.3
71.04978	72.6
73.72528	15.6
79.05498	96.8
81.07040	34.5
83.08585	24.8
84.55939	15.7
86.00449	16.8
91.05478	31.1
93.07034	63.0
95.08614	36.9
97.10147	19.1
107.08569	43.5
109.10164	43.3
118.19287	14.9
119.08561	25.0
121.10139	62.5
125.09627	25.9
133.10085	19.2
153.12711	26.8
173.11766	100.0
189.11203	20.1
197.40117	16.7
231.17398	17.5
241.94919	18.8
259.02579	18.3
260.03555	17.4
275.20221	41.4
301.10962	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	360.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	86.8
57.03427	12.7
57.14996	12.1
59.05003	68.8
65.03933	16.6
67.05508	100.0
69.03436	23.5
69.07072	87.8
69.30843	81.2
69.31277	54.2
71.04981	77.2
73.02898	21.3
79.05499	91.8
80.91633	12.2
81.03418	29.8
81.07046	75.2
83.08613	54.2
88.78124	12.2
91.05466	43.9
93.07030	41.1
95.04963	19.6
95.08607	23.4
97.06523	42.8
97.10164	74.2
98.21548	28.9
105.07025	25.9
107.08595	36.3
109.06507	20.7
115.07562	49.7
119.08577	22.0
121.06485	17.9
121.10127	22.9
125.09674	67.8
126.64728	12.5
131.08551	26.4
153.12741	17.7
159.81027	12.7
162.36441	14.5
189.11290	23.1
193.39699	13.7
223.13264	27.1
228.18263	12.3
237.14931	17.4
252.42906	12.5
325.06229	14.8
360.24115	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	7.0
55.05510	6.9
56.05015	4.5
56.96528	3.0
57.03443	5.3
60.04526	4.5
67.05506	6.1
69.03416	8.6
69.07063	9.4
70.06596	6.8
72.08141	10.2
79.05482	8.6
81.03381	5.5
81.07047	9.9
82.06576	5.9
83.01349	4.3
83.04980	6.1
83.42850	3.1
84.04498	15.0
84.08167	3.9
84.52905	3.1
85.02901	11.8
86.09696	11.5
91.05479	9.1
93.07035	8.8
95.04979	4.7
95.08601	6.5
96.04485	4.1
97.02891	38.9
97.06532	6.0
98.20742	10.9
99.04469	3.8
105.07030	4.0
107.04931	6.6
107.08605	9.7
109.02834	5.1
109.06541	3.4
111.08061	12.0
112.03953	22.0
115.03929	7.1
121.10043	4.8
125.02347	11.2
125.06008	8.1
125.09567	4.5
126.34383	3.3
130.05002	10.4
135.08017	9.4
136.07567	4.0
137.05966	15.7
138.06317	4.7
139.03943	9.3
142.04959	4.0
147.07718	4.0
149.09598	3.6
151.03902	4.6
151.10980	4.2
153.09100	43.8
154.04988	100.0
156.10147	6.3
161.05963	6.2
163.07494	4.3
163.11169	4.1
167.61841	4.2
168.06496	7.5
168.13838	4.0
169.08598	5.2
176.08031	4.0
180.10168	4.8
181.08647	16.4
184.05946	5.0
192.08881	7.7
198.11269	55.7
201.12331	6.6
204.10287	3.9
210.11246	82.8
220.08237	6.0
229.90819	3.7
232.16948	5.0
237.08789	4.0
240.12349	43.6
246.10986	3.3
248.07700	6.7
264.12283	51.6
266.09097	4.5
276.12277	11.3
280.10461	13.1
294.13275	10.3
298.11453	9.8
300.13098	7.1
306.13434	10.9
311.12393	4.2
312.13074	17.7
316.17664	10.2
324.14386	25.3
342.15225	13.9
342.22461	6.3
361.09860	7.4
361.14600	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	360.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.7
57.03420	1.8
63.73064	0.6
67.05505	2.3
68.99783	1.2
69.03409	1.6
70.06594	5.4
71.58636	0.7
72.08136	0.7
78.07060	0.5
79.05487	2.1
81.03422	0.9
81.07054	1.8
83.01295	1.0
83.04945	0.8
85.02898	2.9
86.09713	1.1
91.05470	2.4
93.07022	1.8
94.06501	0.7
95.04971	2.3
95.08623	1.1
97.02892	1.5
100.11252	1.0
105.07030	2.3
107.04931	1.8
107.08595	1.8
112.07568	0.6
117.07024	3.7
119.04929	2.6
121.06464	3.7
123.04427	23.5
123.05330	1.3
124.04721	0.6
127.03908	1.0
129.06944	0.8
132.44049	0.6
133.10133	1.2
134.10439	0.9
135.04387	3.1
135.08063	4.5
136.07599	2.0
136.12029	0.7
137.05980	2.2
145.06494	3.6
147.04390	8.0
148.05194	0.9
149.05948	3.4
151.03891	2.4
151.07596	1.1
154.05069	1.1
157.06528	1.0
161.05981	1.7
163.03911	1.5
163.07536	15.5
163.08643	0.8
165.05479	4.6
167.07072	1.7
173.05966	5.8
175.07600	1.2
176.04659	0.7
179.07010	5.0
179.10567	0.9
180.10063	0.9
181.08565	3.6
182.09341	1.0
185.05965	0.8
190.08624	13.3
191.07021	66.1
192.07285	0.9
197.11745	1.7
198.02200	1.8
198.12103	3.6
203.07022	3.3
206.82468	0.6
208.09682	100.0
209.10036	1.8
220.09666	2.7
239.32846	0.6
256.85583	0.8
325.10742	5.6
342.13321	4.0
342.22552	1.2
343.11716	2.7
360.14374	20.5
360.23871	0.8
361.14514	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	360.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.7
57.03420	1.8
63.73064	0.6
67.05505	2.3
68.99783	1.2
69.03409	1.6
70.06594	5.4
71.58636	0.7
72.08136	0.7
78.07060	0.5
79.05487	2.1
81.03422	0.9
81.07054	1.8
83.01295	1.0
83.04945	0.8
85.02898	2.9
86.09713	1.1
91.05470	2.4
93.07022	1.8
94.06501	0.7
95.04971	2.3
95.08623	1.1
97.02892	1.5
100.11252	1.0
105.07030	2.3
107.04931	1.8
107.08595	1.8
112.07568	0.6
117.07024	3.7
119.04929	2.6
121.06464	3.7
123.04427	23.5
123.05330	1.3
124.04721	0.6
127.03908	1.0
129.06944	0.8
132.44049	0.6
133.10133	1.2
134.10439	0.9
135.04387	3.1
135.08063	4.5
136.07599	2.0
136.12029	0.7
137.05980	2.2
145.06494	3.6
147.04390	8.0
148.05194	0.9
149.05948	3.4
151.03891	2.4
151.07596	1.1
154.05069	1.1
157.06528	1.0
161.05981	1.7
163.03911	1.5
163.07536	15.5
163.08643	0.8
165.05479	4.6
167.07072	1.7
173.05966	5.8
175.07600	1.2
176.04659	0.7
179.07010	5.0
179.10567	0.9
180.10063	0.9
181.08565	3.6
182.09341	1.0
185.05965	0.8
190.08624	13.3
191.07021	66.1
192.07285	0.9
197.11745	1.7
198.02200	1.8
198.12103	3.6
203.07022	3.3
206.82468	0.6
208.09682	100.0
209.10036	1.8
220.09666	2.7
239.32846	0.6
256.85583	0.8
325.10742	5.6
342.13321	4.0
342.22552	1.2
343.11716	2.7
360.14374	20.5
360.23871	0.8
361.14514	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	360.144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14975	0.5
53.31566	0.5
55.01879	1.0
55.05503	1.0
56.88663	0.5
57.03420	1.7
58.06598	0.5
60.04526	0.6
63.23694	0.5
63.66871	0.5
65.03933	0.7
66.73931	0.5
66.90585	0.6
67.05521	1.3
68.99783	1.2
69.03419	1.2
70.06595	4.3
71.57618	1.2
72.08142	0.8
75.45894	0.6
78.58659	0.7
79.05495	1.6
81.03413	1.2
81.07052	1.5
83.04979	1.2
84.04499	0.8
85.02921	1.4
86.03214	0.6
86.09665	0.6
88.05638	0.6
91.05486	2.0
93.07035	1.5
95.04984	3.0
95.08598	1.4
96.61138	0.7
97.02880	1.1
100.11268	0.8
105.07022	2.3
107.04944	2.0
107.08577	1.8
108.08893	0.7
117.07009	2.9
119.04930	3.1
119.08591	0.6
121.06498	3.6
123.04432	21.3
123.08029	1.2
133.06569	0.6
135.04424	1.9
135.08043	3.8
136.07559	2.1
136.12090	0.7
137.05989	2.1
140.06992	0.7
145.06497	2.9
147.04402	7.1
148.05132	0.8
149.05978	2.7
151.03906	1.7
151.07585	1.3
158.68275	0.6
161.05971	1.9
163.03871	1.8
163.07529	12.6
163.08788	1.2
165.05518	4.5
167.07054	1.4
172.97035	0.5
173.05977	7.1
176.04678	0.8
177.05449	0.8
179.07047	4.4
179.10663	0.6
181.08623	3.5
182.09415	0.7
190.08635	11.1
191.07031	56.7
192.07396	1.0
197.11734	1.6
198.02144	1.5
198.12155	3.3
201.86963	0.6
203.06947	3.6
208.09686	100.0
209.09984	1.3
210.11288	0.9
220.09709	2.0
221.08023	0.8
299.09082	0.7
325.10751	6.0
342.13510	3.9
342.22800	0.8
343.11819	2.9
360.14374	17.6
361.14981	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79300	2.9
54.43300	2.8
57.03424	3.4
61.02922	11.3
65.03941	3.4
67.10642	2.9
69.03424	22.0
70.06582	4.6
71.05019	3.6
71.58173	5.7
72.08154	2.8
73.02901	5.1
81.03408	11.0
84.08146	5.7
85.02904	100.0
86.09697	8.0
91.03951	6.9
91.05431	3.4
97.02885	30.7
99.04431	7.4
107.04951	4.6
107.84505	3.1
109.02879	7.4
111.04438	26.8
116.07082	3.7
127.03921	30.4
129.10213	5.2
130.10616	3.3
131.05022	2.9
135.04417	35.3
137.05956	6.5
139.03902	60.0
145.04968	36.8
147.04439	15.7
162.05490	8.1
163.03917	42.6
163.06078	4.9
165.05449	5.0
180.06538	5.0
180.08647	9.1
181.04958	81.0
198.07695	7.8
198.09520	5.6
211.04254	4.7
317.12161	6.0
360.17950	3.5
361.11053	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	360.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.1
55.01868	5.2
55.05470	3.6
57.03412	4.2
60.04524	4.2
61.02914	12.5
65.03927	4.7
69.03429	23.5
69.29821	9.1
69.30246	28.8
70.06551	5.0
71.04971	5.9
73.02914	6.2
79.05481	5.2
81.03413	7.8
84.04464	3.7
84.08130	3.4
85.02903	100.0
86.09692	8.2
91.04015	3.9
91.05467	5.1
93.03374	4.1
97.02892	21.8
98.20756	4.7
99.04437	6.1
103.67072	3.2
107.04945	5.4
108.17564	3.7
109.15924	2.9
111.04432	24.9
127.03889	21.4
131.22382	3.0
135.04431	29.2
137.05969	8.3
139.03899	57.6
143.08478	3.5
145.04958	26.2
147.04388	13.7
162.05498	11.3
163.03902	25.4
165.05511	4.6
168.94777	3.2
180.06593	5.4
180.08664	9.5
181.04971	69.9
198.07718	6.3
211.04280	8.3
317.12064	9.2
360.13416	4.4
360.17419	4.0
361.10904	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75871	2.2
55.05508	17.1
56.27555	2.1
57.03431	5.9
57.07076	100.0
67.05504	33.7
69.07062	17.7
69.27136	30.3
71.08631	75.7
72.08973	2.8
75.04467	3.3
79.05494	2.6
81.07052	41.3
83.08614	22.2
85.10182	44.5
88.07629	5.7
93.07040	3.4
95.08609	61.2
97.10170	21.4
98.20706	5.2
99.11712	3.2
105.03747	17.0
109.10147	31.0
111.11719	11.3
117.40899	2.4
121.32820	3.1
122.06360	5.7
123.10916	2.4
123.11678	12.7
137.13272	8.7
151.14893	2.8
158.67679	2.2
200.14247	2.4
249.25819	3.1
267.26855	10.7
285.27847	5.4
296.29535	33.1
341.30502	58.2
342.30798	5.3
359.37213	15.1
360.29166	4.5
382.49200	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	360.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28968	1.1
62.54183	1.0
65.03942	1.6
70.06580	2.2
71.57783	1.3
71.58505	1.1
79.05464	1.5
81.03411	1.9
82.06557	1.3
83.72345	0.9
84.04549	1.2
85.02901	3.5
85.77166	1.0
86.66150	1.0
93.07053	1.3
95.04943	1.9
97.02911	2.4
105.33973	1.0
107.08538	1.3
121.02887	2.9
127.69721	1.0
133.02861	3.3
135.04402	3.3
149.02341	100.0
150.02647	1.6
153.01778	1.0
153.09102	1.5
154.05000	4.4
163.03906	62.1
163.07466	1.7
181.04977	19.2
190.08565	1.0
191.07021	2.8
198.11311	1.7
208.09665	4.0
210.11238	3.5
233.63426	1.4
240.12303	1.4
264.12491	1.2
330.49707	1.1
360.14667	1.7
361.14566	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	359.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	27.7
57.07072	78.6
67.05504	44.3
69.07060	42.8
69.70095	65.6
71.08630	78.6
76.99600	9.0
79.05472	9.9
80.13988	8.7
81.07055	68.9
83.08609	32.1
85.10170	34.2
88.07619	18.7
94.22566	10.8
95.08600	100.0
97.10170	55.1
98.20844	17.5
107.58019	9.6
109.10180	61.4
111.11731	24.3
123.11701	22.7
128.32495	9.0
144.13391	8.6
216.82532	8.8
233.72227	9.8
247.08192	9.9
274.72635	8.1
341.30511	68.9
359.37241	96.3
380.28046	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	359.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.8
55.05502	2.6
57.03427	6.7
61.02923	4.6
67.05495	8.2
69.03107	2.4
69.03429	14.3
69.07052	3.8
70.06589	8.9
71.58411	4.7
72.08150	9.0
73.02917	4.4
79.05498	2.7
81.03410	6.8
81.07076	3.9
84.08148	5.1
85.02905	42.0
86.09707	9.4
91.05485	17.1
93.07047	6.2
95.04965	5.2
95.08606	5.7
97.02882	13.9
99.04496	2.9
104.34168	2.5
105.07033	12.5
107.04968	4.3
107.08591	58.8
109.02930	4.5
109.06495	5.6
109.10168	8.9
116.98618	2.5
117.06964	3.3
119.06068	4.3
121.06503	5.7
123.04436	11.7
127.03929	7.5
130.06569	5.7
133.10121	22.7
135.11690	11.2
137.05971	10.1
137.09636	7.1
145.05000	10.8
148.06339	6.8
149.07062	12.4
151.11179	4.8
154.60381	2.9
157.07587	13.3
161.05980	2.8
161.09615	8.8
163.07547	5.2
165.06630	8.1
166.07277	3.5
179.08165	7.8
179.10680	26.9
181.95325	2.4
197.09274	5.7
197.11731	100.0
207.07861	2.8
273.09442	8.9
287.11072	5.7
315.13400	10.8
359.17130	57.6
360.17014	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	359.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	1.2
61.02913	1.5
61.63170	1.1
67.05498	1.5
69.03445	2.3
69.07068	1.2
70.06572	2.2
70.87888	3.5
78.52413	1.5
79.05502	2.3
81.03393	1.1
81.07060	2.6
85.02902	8.7
86.09702	3.0
91.05470	3.7
93.07029	7.5
95.04973	1.2
95.08628	1.6
97.02898	1.9
105.07034	8.2
107.08590	33.1
109.10155	2.6
110.71823	1.2
119.08578	5.8
121.06521	1.6
121.10172	7.9
123.11675	1.2
127.03928	1.4
133.10147	20.0
137.02377	2.2
137.05948	2.4
139.07561	1.4
149.09608	4.9
151.11198	7.2
161.09630	5.1
162.51538	1.2
167.10684	12.4
179.10664	16.1
197.11734	100.0
198.12077	2.3
241.69080	1.2
342.06302	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1697
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.05359	1.8
57.03431	1.7
59.04996	1.5
59.38412	1.7
61.02924	3.2
69.03421	7.2
70.85416	3.5
70.85787	3.3
75.02782	1.7
81.03406	1.9
85.02904	26.5
87.04462	2.1
91.05487	6.8
93.07058	6.2
95.04966	5.4
97.02907	8.1
105.07042	8.5
107.08585	21.7
109.02880	3.1
109.06494	3.7
109.10165	2.9
112.76773	1.7
113.06010	4.1
120.85297	1.6
121.06508	2.3
123.04433	5.1
123.11732	2.2
127.03928	6.5
133.10132	21.9
135.11696	19.6
137.06018	2.6
145.04912	3.7
151.07545	5.9
161.09647	11.5
179.07034	13.6
179.10660	33.0
180.10973	2.0
197.08115	21.6
197.11726	100.0
198.12090	3.8
208.09653	4.2
360.14117	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1488
Annotation	Negundin B
Peak:m/z	Relative Intensity
54.17007	1.5
55.01863	3.7
55.05513	2.7
57.03416	1.7
65.03926	5.2
67.05499	5.7
67.71200	1.5
69.03436	2.4
69.07076	2.6
70.79540	4.1
70.79913	3.9
79.05495	2.9
81.03423	2.5
81.07065	5.2
82.04181	2.9
83.04959	2.7
91.05466	6.6
93.07047	3.6
95.01340	2.0
95.04968	5.8
95.08583	3.2
97.02879	1.9
98.50883	1.9
103.05463	3.1
105.07037	6.3
107.04948	7.4
107.08540	3.6
108.05485	1.7
109.06535	1.9
110.03639	4.1
111.04433	6.0
115.05421	3.1
117.07031	2.5
119.04919	3.5
119.08509	2.0
121.02849	20.3
121.06509	4.5
123.04422	3.3
125.05975	4.9
128.06186	1.9
129.07010	4.5
131.04932	2.1
133.06523	2.1
135.04414	1.7
135.08061	5.1
137.05962	9.2
144.05638	3.7
145.06474	4.1
147.04381	3.7
149.02341	5.3
149.05927	2.2
151.03897	3.2
152.06123	3.8
153.05467	4.9
153.06956	3.1
159.08080	6.4
159.09274	2.9
161.05995	5.1
161.09598	6.4
162.06836	2.1
165.05716	1.7
165.07004	8.0
166.07759	2.9
167.07024	10.0
167.08478	3.9
169.06494	2.4
171.06567	2.8
173.05948	2.7
174.69293	2.2
175.07495	2.2
178.07738	5.2
179.07048	5.1
179.08511	2.6
181.04958	27.5
181.06482	8.5
182.07208	2.8
183.08020	2.2
184.08807	2.0
187.07571	2.0
188.07170	1.7
189.06937	2.5
191.08583	3.9
194.07240	5.3
195.08057	11.8
196.08792	2.9
197.05960	6.4
197.07945	4.2
197.09637	2.8
198.06917	2.0
199.07538	3.2
199.11337	2.0
203.08595	2.7
205.06654	2.9
206.07237	4.5
207.06396	2.4
207.08084	5.1
209.05968	6.1
209.09663	4.1
210.06740	11.6
210.10472	2.1
211.07555	11.4
212.08336	5.7
213.09087	2.9
219.08076	3.7
220.08867	4.9
221.06102	4.1
221.09596	17.0
222.06757	5.1
222.10297	3.2
223.07530	20.6
224.08290	11.1
225.05527	3.7
225.09105	9.0
226.09909	2.0
227.07051	8.3
227.10641	5.4
233.06123	2.0
234.06789	4.1
235.07568	4.2
237.09126	11.6
238.06276	6.2
238.09813	10.6
239.07057	7.6
239.10570	3.5
240.07779	30.4
241.08568	5.8
249.09074	8.2
250.09824	3.4
251.07094	10.7
252.07838	10.6
253.08595	42.2
253.12273	13.0
254.05737	2.0
254.09325	7.4
255.06578	9.3
255.10213	10.4
257.08151	11.7
265.08649	8.7
266.09415	8.4
267.06537	3.3
267.10184	7.3
268.07315	9.1
269.08133	19.7
270.08890	5.1
271.13388	3.8
279.09973	2.4
281.08105	12.3
281.11496	14.1
282.12167	2.1
283.06369	3.2
283.09610	19.4
284.10428	6.3
285.07574	4.5
285.10907	2.6
285.14526	2.7
297.07541	9.0
298.08337	9.9
298.11954	7.0
299.12732	16.0
300.09894	20.1
309.11157	11.0
311.08929	3.1
313.10678	100.0
313.14355	63.6
314.11200	2.8
326.11502	9.6
327.12271	65.1
328.12970	5.2
331.15396	28.0
341.13812	59.8
359.10632	4.4
359.14862	71.3
359.19348	3.7
360.15393	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1487
Annotation	Prestegane B
Peak:m/z	Relative Intensity
55.01864	1.0
55.05502	1.0
56.94040	0.6
57.03429	2.4
61.65911	0.6
67.44801	0.7
69.03417	1.0
69.07046	1.0
70.84802	1.0
70.85142	1.5
71.04976	0.6
74.52750	0.7
79.05486	2.8
81.07040	2.4
85.02914	1.0
85.06524	1.0
91.05475	3.1
93.07053	1.8
94.04203	3.4
95.04964	1.8
95.08593	1.3
103.05477	5.9
105.07013	2.1
107.04951	2.7
107.08614	1.1
109.06499	0.9
109.10164	1.2
111.93635	0.7
115.05428	1.2
119.04987	0.7
119.06042	0.7
119.08536	1.0
121.06491	2.0
121.10155	1.8
122.03631	7.1
131.04915	11.2
131.08600	1.0
133.06496	2.4
133.10159	0.9
135.04391	0.8
137.05974	100.0
138.06343	1.6
145.06479	2.1
145.10121	0.7
147.04382	2.6
147.08008	1.3
149.06021	1.9
149.09512	0.8
151.03894	1.6
151.07547	3.2
157.06439	1.3
159.08058	1.8
160.05283	0.8
161.05977	5.7
161.09547	1.0
163.03923	1.4
163.07506	5.6
165.05482	1.6
165.06807	0.9
167.07071	2.5
167.08536	0.8
175.07565	1.3
177.05487	1.2
177.09082	2.1
178.06328	4.0
178.07628	0.8
179.07056	2.4
179.08507	1.1
181.04976	1.2
181.08629	1.3
187.07529	1.2
189.09027	1.3
190.06297	1.5
193.08603	1.7
195.08142	1.1
203.08546	2.1
205.08568	3.3
208.33318	0.6
217.08607	1.2
221.09663	1.0
223.07704	0.9
223.09689	2.0
231.08080	1.5
241.08676	0.9
249.09174	1.1
251.07034	0.9
253.08575	2.9
255.06474	1.3
263.10730	2.1
266.09326	0.8
269.08014	1.3
279.10117	0.9
281.11786	1.1
285.11139	1.1
291.10083	5.6
305.11545	1.9
313.10696	2.6
313.14319	1.8
323.12836	3.1
326.11246	0.9
327.12225	3.3
331.15317	1.2
341.13895	6.2
359.14951	8.3
359.19672	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1488
Annotation	Prestegane B
Peak:m/z	Relative Intensity
69.88460	1.5
69.88866	3.6
76.70158	0.8
79.05468	1.0
80.57601	0.9
91.05489	1.8
94.04171	2.2
96.66631	0.9
97.02924	1.2
103.05469	5.2
107.04900	0.8
122.03648	8.9
131.04930	12.9
131.25307	0.9
137.05978	100.0
138.06326	1.6
145.06560	1.0
147.04311	1.1
149.06017	1.7
151.03941	0.9
151.07524	1.0
157.06528	1.2
159.08406	1.2
163.07529	7.5
165.05518	1.5
175.07561	1.7
189.09122	1.0
198.45125	0.8
203.08723	1.1
216.33990	1.1
223.09769	1.6
231.08067	2.1
233.05952	1.0
259.07480	1.1
263.10718	3.2
285.07394	1.5
291.10175	5.5
320.95532	0.9
323.12823	3.1
341.13638	3.3
359.15402	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1488
Annotation	2',4',5,7-Tetramethoxy-8-methylflavanone
Peak:m/z	Relative Intensity
53.03957	2.5
53.92081	1.7
55.01870	4.3
55.05518	1.9
56.96566	1.7
57.03435	2.3
67.05507	4.2
68.99796	2.5
69.07094	1.7
69.34737	8.8
69.35170	9.3
79.05489	10.6
81.03426	2.2
81.07056	4.0
87.77039	1.6
91.05473	23.5
93.07055	9.8
95.04977	9.3
95.08601	4.2
103.05479	10.6
105.07034	26.5
106.04202	2.2
107.04955	22.0
107.08636	3.3
109.06503	3.3
115.05446	14.2
116.06233	4.8
117.07020	6.0
118.04160	8.0
119.04934	2.6
119.08591	3.7
121.06497	17.3
121.10120	3.1
123.04427	6.6
123.08092	5.2
124.05215	3.5
125.06012	5.7
128.06261	4.7
129.07016	5.8
131.04932	23.9
131.08574	18.9
133.06506	52.9
134.03624	2.9
135.04446	4.9
135.08037	8.3
137.05972	22.4
138.54108	1.9
139.07593	2.6
141.06985	5.9
144.05696	6.5
145.06494	6.5
145.10065	2.2
147.04430	7.6
147.08060	13.3
148.05203	6.7
149.05998	7.5
149.09631	7.4
151.03925	3.8
151.07549	43.0
152.04659	3.3
153.05464	3.8
159.08061	47.1
161.05981	100.0
162.06734	7.4
163.03902	31.9
163.07591	8.2
165.05475	3.3
165.09175	4.4
166.06265	4.0
167.07048	32.6
172.05197	7.0
173.06119	2.0
175.07584	13.3
176.08253	2.6
177.05461	3.6
177.09111	26.1
178.06258	92.4
179.07019	19.2
181.08586	18.8
187.07539	26.4
190.06250	43.5
191.07037	7.7
192.07802	2.7
193.08607	49.9
193.10309	3.3
194.08957	2.4
201.09074	2.7
203.06931	1.8
205.08588	69.2
206.07268	2.1
207.08342	2.0
207.10185	10.2
217.08556	1.8
220.07265	2.4
223.07542	2.3
235.07533	2.3
235.09662	4.1
239.10652	2.2
241.08702	2.2
249.09090	5.6
251.06987	2.5
263.06866	2.0
266.09473	2.2
267.09933	2.4
277.08588	4.0
278.09384	6.0
279.06589	2.0
281.12024	2.4
283.09531	4.1
294.08923	5.2
294.14954	1.8
295.09656	5.1
309.11102	8.7
310.11835	2.1
312.10034	4.2
327.12335	5.2
341.13867	7.7
359.14926	11.4
359.23087	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1487
Annotation	Saururin A
Peak:m/z	Relative Intensity
55.01868	0.5
56.96576	0.5
63.88263	0.5
67.34620	0.6
71.58902	0.8
72.59367	0.4
79.05499	1.1
81.07061	0.8
91.05479	1.1
94.04195	2.9
95.04951	0.8
99.66897	0.6
103.05474	5.1
107.04939	1.6
107.08624	0.6
108.73013	0.5
116.07072	0.8
118.64825	0.5
121.06516	0.9
122.03641	7.3
129.07004	0.9
131.04939	10.8
135.04364	0.5
137.05977	100.0
138.06351	2.0
145.06490	0.7
147.04420	1.0
149.05977	1.3
151.03963	1.2
151.07527	1.4
152.06177	0.5
157.06422	0.6
163.03857	0.5
163.07538	4.3
165.05499	1.5
175.07440	0.7
177.05492	1.5
178.06400	0.6
179.07042	1.4
189.09142	1.0
202.07761	0.6
203.08638	1.2
205.08611	1.0
213.29405	0.5
217.08699	0.6
223.09694	1.2
231.08090	1.9
247.07501	0.6
248.08330	1.0
259.07614	1.2
263.10736	1.5
276.07837	0.7
291.10229	3.8
305.11642	1.7
323.12842	3.0
329.06516	0.6
341.13800	3.3
341.25693	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.8
55.01854	3.3
69.67529	24.7
69.94642	3.3
79.05491	5.0
81.07074	5.1
91.05474	26.1
93.07036	6.2
95.04959	8.3
97.02890	3.8
98.20821	5.1
103.05462	68.1
105.06998	12.9
107.04949	26.6
109.02882	5.5
109.06564	3.9
115.05437	10.6
119.04928	20.8
121.06538	7.3
122.03650	6.0
128.06239	4.1
129.06978	4.1
131.04922	100.0
133.02826	4.3
133.06491	8.3
135.07954	3.2
137.05974	97.4
143.04918	4.6
145.06487	4.1
147.04414	17.9
147.08060	4.0
149.05945	12.1
151.07527	10.1
159.04399	4.0
159.07996	4.2
160.05168	6.0
161.05948	26.6
162.06728	8.0
163.07547	34.9
165.06898	5.9
172.05237	3.6
175.03961	6.1
175.07576	29.0
179.07053	8.4
181.12032	3.3
187.07524	15.0
190.06137	4.0
190.07820	3.9
191.06999	6.0
191.08551	8.2
193.08563	6.9
194.07324	3.7
199.07486	5.9
205.08641	8.3
207.08185	5.5
211.07509	4.0
212.08194	4.1
215.06831	3.8
217.05019	4.3
219.08005	11.3
221.08081	5.8
225.09489	4.0
231.07939	7.4
247.07616	6.3
251.10628	8.0
253.08696	6.3
263.09076	7.9
265.08533	11.5
267.10153	4.4
269.08429	6.3
275.09180	4.4
277.36423	3.4
279.10083	15.1
285.11090	5.4
295.09619	4.6
296.10361	4.6
297.11102	8.0
299.09033	9.0
299.12738	9.2
309.11038	4.0
311.12598	10.1
313.10806	4.0
329.13736	4.7
338.90619	3.8
341.09985	9.2
341.13821	4.3
344.33652	3.7
359.16696	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	359.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.0
70.06586	1.2
71.04980	0.9
71.49594	1.9
72.08156	1.4
75.20403	1.0
79.05478	1.6
81.07030	1.5
84.08136	8.8
84.44796	1.0
85.02906	3.0
86.09705	5.3
97.02891	1.5
99.04480	1.8
103.03941	1.2
110.06051	4.0
119.06059	12.2
121.07629	1.3
127.03938	1.7
129.10242	9.5
133.07590	2.0
137.06029	2.4
137.07082	3.6
137.39445	0.9
138.05472	1.4
138.07770	1.1
139.03935	1.7
147.04393	1.1
147.05489	2.2
148.06322	11.8
149.07097	61.2
150.05490	1.1
151.08669	2.3
157.07614	1.1
163.03883	2.3
165.05418	1.2
165.06604	28.9
166.07352	9.5
168.29527	1.0
179.08189	6.4
181.04987	1.6
197.09213	100.0
198.09511	1.7
215.10257	3.1
282.12125	1.5
341.13739	1.4
359.13101	7.3
359.17996	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	359.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15358	3.4
55.41265	3.1
58.46084	3.4
70.96667	8.6
71.98458	3.3
79.05480	6.9
86.09703	6.4
88.15532	3.0
91.05476	30.4
92.59393	3.4
94.04185	3.4
95.04984	6.1
103.05446	19.4
105.03426	3.3
105.07034	9.2
107.04948	5.5
109.06548	7.0
111.16206	3.4
111.75002	3.5
115.05473	7.7
119.04945	29.5
121.06472	4.7
122.03650	13.0
123.08019	4.6
129.06967	3.6
131.04915	13.9
133.02838	8.2
133.06477	7.7
137.05978	100.0
145.03496	4.3
147.04414	19.4
147.08000	5.6
149.05981	9.5
151.03867	5.1
151.07507	10.5
158.15692	3.4
159.08109	3.8
160.05125	5.0
161.05975	20.4
162.06744	5.7
163.07516	13.8
165.06982	4.6
173.02887	3.6
175.07552	29.1
179.06998	10.7
187.07506	17.9
191.08572	7.1
193.08665	4.0
203.08559	3.5
205.08627	14.6
207.08029	4.8
219.08066	11.8
247.07613	6.7
251.10654	7.4
263.10641	4.2
265.08682	8.2
271.04379	4.4
279.10138	8.5
285.11105	3.9
291.10117	6.3
297.11139	8.8
299.12741	12.4
309.11319	4.4
311.12741	14.0
315.14111	11.2
341.13965	3.5
359.12985	75.4
360.13229	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1335
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
53.03948	1.6
54.43422	1.2
67.05505	3.9
68.99790	2.2
69.03423	3.0
70.97722	1.3
71.05000	2.6
71.58154	2.3
75.43084	1.3
79.05485	2.0
81.07040	1.8
82.18825	1.4
85.02902	3.0
85.06532	2.8
91.05495	4.1
95.04963	5.1
97.02885	2.6
103.05447	1.8
105.03349	1.7
105.07025	3.5
106.16358	1.7
107.04942	2.1
109.06512	10.8
111.08092	5.0
113.06009	18.4
115.05479	1.7
119.04941	1.9
122.03662	3.5
123.04449	12.6
127.03929	2.2
129.07027	1.9
131.04924	3.5
133.06461	4.0
135.07956	1.5
137.05986	31.1
147.04416	3.6
151.07530	21.5
153.01828	3.6
155.07007	5.3
161.05975	11.7
163.07495	2.6
164.04709	1.9
167.07219	1.4
175.07582	2.6
179.05453	3.4
179.07034	61.3
188.07108	1.4
196.62677	1.4
197.08092	100.0
212.08232	2.0
219.08018	2.0
291.10223	1.9
318.52255	1.7
327.12030	1.7
341.13672	1.9
359.14792	3.7
359.23587	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.9
61.02914	1.5
66.92879	0.9
69.03413	3.3
71.10545	2.2
74.80773	0.9
85.02909	4.5
92.04997	1.0
93.05814	1.1
97.02892	1.9
100.12743	1.0
119.06078	22.8
123.06784	1.5
124.03934	1.1
137.07124	5.5
147.05504	14.1
148.03900	4.5
148.06313	48.0
149.07097	63.0
150.05510	2.5
164.05818	2.3
165.06595	44.4
166.07417	6.7
174.66539	0.9
179.08156	51.8
179.52750	0.9
197.09219	43.4
207.07629	1.3
228.95987	0.9
260.33432	0.9
260.54501	0.9
274.89966	0.9
359.14474	100.0
360.14484	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1335
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
54.02972	5.4
55.01859	13.8
57.03428	8.8
67.05500	10.1
69.03432	9.8
69.07066	11.0
69.89544	6.3
70.06570	9.5
70.81723	6.9
71.58102	9.4
71.58493	12.4
81.03406	8.1
81.44585	7.6
85.02906	25.5
86.09707	36.7
87.10033	10.8
91.05457	20.0
93.07039	6.5
95.04942	14.6
97.02895	49.2
103.03944	10.4
103.05448	8.4
105.07048	10.7
107.04961	16.5
107.08578	9.2
109.02888	7.9
109.06567	9.3
116.28843	7.1
117.07001	8.4
119.08569	19.4
121.06483	15.2
123.04399	15.7
128.06175	8.5
129.07001	15.1
133.02858	8.1
133.06456	8.6
134.27638	6.8
135.08032	7.3
137.02306	8.8
137.05981	21.6
139.03886	11.1
144.39594	7.2
145.06468	11.8
145.10081	7.0
147.04419	32.5
147.08035	22.6
149.05908	10.3
151.03886	17.4
151.07506	7.0
153.01819	10.5
154.02148	7.5
157.06525	12.1
161.05989	19.5
161.09714	9.0
162.06784	8.1
163.03830	8.9
163.07567	7.3
173.05937	7.2
175.07544	77.4
177.05489	12.5
178.06400	9.6
179.07042	10.7
185.05965	12.8
189.05487	9.2
189.09167	14.3
191.07033	42.9
193.08586	7.6
197.08040	20.9
200.18275	9.1
201.09084	9.1
203.07007	68.4
209.08058	48.4
211.07443	7.5
215.07028	20.7
217.08609	21.4
219.10095	36.4
221.08086	100.0
229.08473	11.3
233.08128	9.2
235.09612	9.4
239.09076	61.0
245.08073	20.7
257.08035	32.6
263.09143	91.3
269.08002	14.8
275.09030	85.9
287.09058	47.7
299.08929	10.5
305.10196	27.0
323.11301	13.8
327.09778	8.5
359.12103	12.9
362.32007	7.0
370.64447	6.6
377.01807	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	359.131
Annotation	Unknow
Peak:m/z	Relative Intensity
67.61649	0.8
69.03419	1.3
69.43491	2.9
69.43922	5.0
71.08633	0.8
71.71874	0.9
81.07036	1.9
83.19191	1.0
86.29482	1.0
91.05430	1.4
93.07030	1.0
95.08582	1.6
100.27661	0.8
105.07012	0.9
109.10137	1.6
119.01919	2.0
121.10120	1.1
127.00072	0.9
150.94290	0.9
151.03812	1.1
155.01869	1.0
163.07509	1.1
193.08546	0.8
208.85030	0.9
227.05339	1.4
255.12117	1.0
271.04321	2.8
273.13065	3.8
276.82361	0.9
315.14178	17.5
359.13104	100.0
360.13348	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	8.0
55.66096	3.8
65.37180	3.6
67.05498	4.5
68.93131	3.3
69.03425	8.0
69.38306	21.5
69.38716	10.1
79.05508	4.5
81.03421	7.4
81.07058	5.6
85.02920	20.2
86.09677	3.5
91.05477	13.0
93.07030	7.4
95.04987	8.7
95.08569	3.3
97.02912	4.3
103.03942	13.0
105.07034	6.1
107.04951	6.8
109.02870	11.1
109.06496	6.8
113.06023	11.6
115.05468	3.9
117.07024	4.5
119.04921	4.7
119.08593	16.0
121.06532	11.4
123.04478	9.7
129.06978	7.3
133.02872	5.2
133.06512	4.1
135.04375	4.1
137.05971	11.6
145.06471	7.7
147.04424	25.1
147.08075	26.5
149.06029	5.1
151.03914	13.1
151.07512	5.0
157.06473	10.2
159.08020	6.4
161.05946	10.3
161.09535	4.4
163.03893	8.5
163.07516	13.8
173.06032	5.3
173.09575	4.5
175.07535	86.9
175.08986	5.6
176.07954	3.4
177.05504	9.5
178.06273	5.8
179.07065	13.6
181.04927	4.5
185.06006	12.2
186.06699	3.8
187.07600	6.6
189.05539	5.9
189.09126	13.1
191.07025	38.2
193.08620	8.5
197.08063	17.4
199.07564	8.3
201.05424	5.9
201.09120	5.8
203.07039	79.7
205.08653	6.0
209.08087	52.3
211.07541	5.0
215.07076	19.6
217.04990	5.5
217.08583	24.2
221.08081	100.0
229.08476	7.6
231.06482	4.6
233.08023	8.4
239.09090	48.2
241.08713	7.0
245.08147	23.2
247.09723	4.3
257.08078	31.6
263.09161	95.0
269.08151	26.9
275.09143	61.6
281.04218	3.5
287.09122	45.3
293.10300	6.9
305.10156	25.3
318.06326	4.4
323.11157	21.9
325.65045	3.7
341.12103	3.6
359.14520	4.2
367.57019	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86033	1.4
51.39140	1.6
53.03942	2.6
55.01881	3.3
56.86354	1.5
58.62994	1.8
59.25049	1.4
66.02685	1.4
68.99780	2.2
69.07042	1.5
70.15569	5.8
70.15985	2.9
79.05499	15.1
81.03399	7.3
85.02913	4.7
87.00817	7.2
91.05491	3.4
95.04968	3.5
97.02862	2.9
97.06528	1.7
99.04459	1.8
103.05456	1.6
109.02921	2.2
115.05459	10.1
128.06221	6.5
129.06999	6.7
131.04915	5.6
137.05986	8.0
141.07019	5.0
143.04962	5.2
144.05681	3.8
145.06401	1.6
152.06166	12.6
153.06961	6.5
155.04913	6.7
157.06508	5.0
158.07263	15.6
159.04385	2.5
159.08034	2.4
159.09259	1.7
161.06013	5.6
162.06653	1.7
165.07010	13.0
166.07791	6.3
167.07191	2.0
167.08557	25.4
168.05615	1.9
169.06473	8.1
170.03685	1.8
170.07224	3.0
171.04381	12.5
171.08046	5.8
172.05135	2.2
173.05962	4.9
174.06764	7.1
175.07568	4.6
177.05519	3.2
177.07022	6.2
177.09134	2.0
181.06490	8.5
182.07259	2.0
183.07977	3.0
184.05125	2.3
184.08836	5.2
185.05972	20.0
185.09619	3.8
186.06750	22.8
187.07492	9.4
187.20897	1.6
187.66620	1.6
193.06483	1.7
194.07301	6.1
195.08047	31.1
196.08687	3.4
197.05975	5.3
198.06781	4.9
199.03922	9.6
199.07520	8.3
199.11250	3.9
201.09068	11.0
205.06526	3.6
209.09612	5.7
210.06792	3.7
211.07500	5.8
212.08330	9.4
213.05516	3.1
213.09125	11.9
214.06252	55.3
215.06757	1.8
223.07570	11.0
224.08177	1.7
225.09091	4.6
227.07025	6.7
227.10667	46.9
228.11028	1.9
229.08615	4.3
237.09079	7.7
240.07811	7.8
241.08679	5.1
255.10159	100.0
256.10486	5.7
273.11292	14.4
299.09122	3.0
309.99011	1.7
327.11844	1.9
341.09921	7.5
359.07251	1.5
359.10855	8.6
359.15103	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	358.9982
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	52.2
59.78097	6.3
69.03410	22.5
71.57021	7.8
71.57407	7.6
73.58369	7.0
81.03409	13.0
84.05350	6.2
85.02909	23.0
86.96740	6.1
88.66540	7.5
97.02884	20.7
98.97575	75.3
107.56470	7.0
116.98624	81.2
119.01888	23.9
127.03921	8.3
128.98590	17.7
131.01848	9.4
134.99649	97.7
136.60257	6.6
137.02965	10.9
145.03444	8.3
146.99658	22.6
150.97620	7.8
153.00719	25.6
158.97203	15.2
172.95325	36.1
174.97610	38.7
176.91263	6.9
176.98323	34.3
177.00908	28.1
179.00690	62.9
186.99307	10.7
190.96335	10.5
192.98726	50.1
196.95325	11.4
196.98843	12.1
197.13359	8.4
198.98445	10.4
200.98312	30.5
201.00763	8.6
202.99918	9.7
205.00317	10.7
208.96400	10.5
214.96292	29.5
214.99934	26.6
216.98712	68.6
217.98874	8.2
219.02074	39.2
220.02075	10.4
221.01833	47.3
222.01968	9.5
224.98340	9.8
228.98628	11.3
231.00223	49.4
231.02022	6.7
232.00229	10.7
232.96541	30.8
234.99840	54.8
243.02182	10.1
244.97990	13.1
245.01645	8.4
246.99802	15.4
249.01228	35.9
250.97498	21.0
256.97443	12.5
258.99652	38.2
259.99960	12.6
261.03030	13.4
262.99072	14.6
263.02786	10.8
270.99615	7.5
274.97623	15.9
276.97745	7.2
277.00864	28.6
286.99368	20.5
289.01221	10.5
293.00116	11.2
298.98941	19.4
301.00964	12.3
303.01495	100.0
305.47479	8.5
316.99619	31.2
323.99823	8.0
328.99808	11.0
335.00806	17.5
358.99713	20.6
359.04153	48.6
376.97104	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	358.1497
Annotation	Bakankoside
Peak:m/z	Relative Intensity
53.03934	1.2
53.88948	1.0
56.96559	6.9
57.03423	1.8
61.02924	3.1
67.05498	1.3
69.03429	6.3
70.06596	2.4
71.04964	1.0
71.57928	1.8
73.02919	1.6
79.05492	1.2
81.03432	2.6
82.06551	1.3
84.08147	2.0
84.62339	0.9
85.02905	9.1
86.67313	0.8
87.04470	1.3
90.08105	0.8
91.05444	4.7
91.66405	1.0
97.02908	4.1
98.97578	5.7
99.04441	1.5
100.07644	1.5
103.05499	1.6
105.07043	3.6
107.04954	1.2
108.08120	4.4
109.02869	1.9
109.08475	1.4
110.06056	1.8
110.07145	1.1
115.05493	2.9
116.98620	3.7
117.05768	6.1
118.06539	1.5
119.01909	3.5
119.04935	1.5
120.08088	1.8
122.06064	1.7
122.09731	1.5
123.06805	1.7
124.07632	1.2
127.03931	3.8
128.98579	1.4
130.06519	2.4
131.00156	2.0
131.07309	1.0
132.08083	11.4
133.05226	3.3
134.06004	5.8
134.99651	2.6
135.04341	1.1
136.07568	8.9
137.04662	1.0
137.05916	1.0
137.08331	1.0
138.05482	2.1
138.09206	1.0
145.03564	1.0
146.99680	1.3
147.04398	1.6
147.06815	6.3
148.06378	2.3
148.07574	42.2
149.05905	1.3
149.08221	1.3
150.09155	13.3
152.07060	12.6
153.01900	2.8
153.07811	2.0
155.01952	1.2
156.10197	1.2
157.03384	1.0
160.06238	2.2
160.07574	44.3
162.05534	1.4
163.06247	1.7
164.07095	1.1
166.08612	2.1
168.74782	0.9
173.02942	1.6
177.00777	1.5
178.06262	1.9
178.08635	74.4
180.06598	1.5
181.07005	1.1
189.00735	1.1
190.95409	1.4
191.02309	1.0
193.06956	1.8
194.08154	1.7
195.08432	2.9
196.09695	69.6
219.01857	1.9
221.04935	1.1
222.07533	1.2
223.08034	2.6
237.02847	3.7
244.04858	1.3
245.05162	3.0
250.07033	1.6
251.07402	3.2
311.09579	4.4
316.08984	1.1
321.10077	1.3
329.10410	1.6
340.12717	5.2
349.61859	1.0
358.14987	100.0
359.15170	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	42.3
57.03431	4.8
57.07078	40.3
65.00922	5.3
67.05510	35.6
69.07072	62.5
70.06596	9.1
71.08636	15.3
71.23256	10.7
79.05492	35.3
81.07051	47.1
83.08607	32.9
85.10181	9.5
88.07615	16.1
91.05470	6.3
93.07052	36.5
95.08614	46.0
97.06533	21.8
97.10189	30.8
102.09200	8.2
106.08649	10.3
107.08581	30.7
109.10136	30.5
111.08070	11.8
121.10138	55.3
123.11732	10.9
125.09588	6.8
135.11703	49.1
138.77914	5.0
149.13251	19.9
152.17891	6.0
153.12871	5.0
156.85008	4.9
163.14871	8.7
228.78194	5.8
247.24178	33.8
265.25290	26.3
339.28815	24.1
339.34573	10.4
357.35535	100.0
358.36780	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	358.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.6
61.61687	2.8
70.84230	6.0
72.46127	2.0
91.05463	4.9
95.04974	2.5
102.04661	3.4
103.05444	3.9
105.07044	3.2
107.04947	4.4
115.05443	3.2
117.03359	5.6
121.06552	2.4
122.03701	2.2
130.04126	13.4
131.04918	8.0
133.06470	5.3
135.04428	4.5
137.05959	28.8
143.04950	3.8
144.05635	2.2
145.06520	3.5
147.04366	17.7
150.06776	3.5
151.03955	4.3
152.06265	3.0
155.70555	2.0
159.04379	2.6
160.05103	2.3
160.09569	2.6
161.05998	12.8
162.06758	64.0
163.03912	2.2
163.07353	2.4
165.05748	2.3
165.07022	10.1
167.08504	2.1
169.06445	4.9
174.06758	5.1
175.07594	2.4
178.07733	5.4
178.42178	2.1
179.08554	6.7
181.06471	3.9
181.10126	2.3
182.07298	3.2
186.06813	3.6
189.05531	3.3
189.07089	5.2
190.07709	12.7
191.08551	19.9
193.06454	4.4
194.07275	9.2
195.08003	8.1
197.06010	3.6
197.09648	3.0
198.06779	2.5
202.07886	4.3
202.31657	2.2
203.08591	5.2
205.06529	6.0
206.07242	6.9
207.08034	8.1
208.08775	4.6
209.06233	2.6
209.09610	5.1
210.06764	6.9
211.07570	7.8
218.07333	7.1
219.08072	33.0
220.08897	5.8
221.05989	6.8
221.09558	5.4
222.06717	4.0
223.07542	7.8
223.11180	2.6
224.08472	3.9
225.05441	2.2
225.09120	9.4
231.08070	10.3
233.09573	6.4
234.06776	6.0
234.10376	6.2
235.07494	15.2
236.08333	8.4
237.05479	5.4
237.09052	12.0
238.06364	2.8
239.07048	4.3
239.10692	2.7
246.06712	3.5
247.07526	20.7
248.08302	8.8
249.05396	5.1
249.09045	4.9
250.06273	4.1
250.09761	3.5
251.07054	6.4
251.10654	5.6
252.07724	8.7
252.11595	3.3
253.08592	17.3
261.09158	10.5
262.09918	6.6
263.07047	6.8
263.10541	5.4
264.07828	8.7
265.08603	14.4
266.05661	2.6
267.06561	2.5
267.10168	9.3
269.08032	5.9
275.06958	5.8
276.07748	3.4
277.08667	4.3
278.09305	8.5
279.10095	15.6
280.10901	9.7
281.08105	11.4
281.11636	2.4
289.08652	2.7
290.09409	7.5
291.10126	9.6
292.07318	3.5
295.09616	5.5
296.10101	3.1
297.11249	10.9
300.13367	3.5
302.00266	2.7
304.10748	2.8
307.09616	10.8
308.10370	27.1
309.11115	12.0
310.11987	29.7
311.12769	5.3
322.11838	5.1
325.10687	86.2
326.11053	4.7
328.12949	18.8
339.12311	3.6
340.13049	100.0
341.13351	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	357.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.3
55.05509	40.8
57.03420	6.1
57.07080	21.9
64.42908	1.8
67.05502	44.3
69.07068	50.1
70.06588	12.1
70.07388	2.7
71.04994	1.8
71.06902	2.4
71.08634	15.7
77.05766	1.7
79.05495	26.5
80.53395	1.7
81.07056	42.2
83.04942	2.2
83.08626	34.9
84.08965	2.7
85.10165	8.9
88.07639	23.2
89.07963	5.9
91.05468	4.7
93.07044	31.4
95.04990	2.7
95.08610	38.7
97.06539	16.6
97.10168	20.6
102.09180	5.8
103.03954	2.8
103.09534	1.9
104.55307	1.6
106.08685	11.2
107.08570	24.4
109.10166	19.7
111.08070	6.9
111.11694	5.9
112.26593	1.8
121.09313	3.8
121.10144	45.5
123.11661	9.3
125.09591	3.1
133.10065	2.5
134.46393	1.7
135.11702	35.1
137.13289	3.6
139.11159	4.6
143.14368	2.2
149.13257	16.1
151.14789	4.9
153.12770	2.8
163.14786	7.3
165.16432	3.9
167.14197	2.1
177.16389	3.5
181.15877	3.0
190.20787	1.9
191.17976	3.6
195.93906	1.8
228.64769	1.7
229.95061	1.9
247.24248	32.1
265.25287	22.5
335.20804	5.7
339.28973	15.3
339.34534	13.6
357.35541	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2997
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03928	5.0
55.01883	7.5
55.05312	4.4
55.05514	59.8
57.03424	15.6
57.07075	48.2
66.94769	4.7
67.05506	73.7
69.06717	8.8
69.07066	100.0
70.06592	7.7
70.26373	22.0
71.08617	24.5
76.38458	4.7
79.05489	55.6
81.07056	97.2
83.08620	64.0
85.10178	18.5
87.04452	14.3
88.07586	5.8
91.05433	7.6
93.07045	70.8
94.76270	4.4
95.04957	5.6
95.08608	84.8
97.06508	26.3
97.10160	46.9
107.08600	49.2
109.10145	50.7
111.08086	14.3
111.11716	15.6
115.95428	4.6
121.10143	100.0
123.11718	19.7
125.09635	8.4
125.13263	4.8
135.11700	62.4
137.13268	8.6
139.11195	8.8
149.13263	32.7
151.14828	6.9
163.14806	16.5
165.16356	9.7
189.79181	5.6
191.17970	8.3
198.04599	4.9
247.24211	67.6
265.25272	50.4
339.29037	40.0
339.32721	6.2
357.35452	37.0
358.36615	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	68.6
57.07069	40.4
67.05492	45.0
69.07062	55.8
71.08619	22.6
71.58689	15.0
71.64577	9.7
79.05483	28.9
81.07063	84.7
83.08625	52.6
85.10181	12.2
88.07625	32.7
89.92501	9.5
93.07044	47.4
95.08624	66.6
97.06553	18.7
97.10166	35.2
105.07035	12.9
107.08561	28.0
109.10169	42.0
121.10125	63.2
123.11725	17.5
135.11685	54.7
149.00391	10.6
149.13342	25.2
157.51553	11.9
234.34718	11.7
247.24239	53.1
265.25275	39.5
339.29025	25.0
349.91064	11.5
357.35455	100.0
358.36761	18.6
360.21902	12.3
362.54510	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	357.3
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	37.1
57.03436	8.8
57.07081	30.7
58.59615	5.1
59.66163	5.5
67.05511	38.5
69.07069	67.1
70.06590	11.4
70.12448	26.0
71.08629	19.2
76.74362	5.7
79.05485	24.7
81.07042	43.7
83.08622	38.3
85.10171	10.0
88.07633	14.1
91.15694	5.8
91.66039	6.1
93.07058	30.7
95.08601	39.9
97.06523	8.8
97.10159	21.7
100.19012	5.7
106.08633	7.7
107.08603	21.8
109.10162	35.1
111.08064	11.9
111.11739	8.0
114.51714	5.1
121.10150	40.7
123.11764	9.8
135.11714	40.4
147.39145	6.3
149.13292	15.4
163.14882	9.0
247.24222	36.6
265.25226	21.2
281.07047	6.2
339.28989	28.0
357.35565	100.0
358.36813	10.2
373.83444	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	357.2997
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.59552	8.3
54.70480	7.9
55.05517	84.1
57.03402	10.8
57.07075	50.8
67.05506	84.8
69.07064	93.6
71.08624	37.8
75.04480	8.7
79.05492	53.3
81.07055	87.8
83.04993	12.6
83.08620	73.8
85.10192	21.9
93.07037	62.2
95.08597	73.2
97.06538	38.2
97.10169	37.1
98.21511	20.0
107.08593	42.7
109.10138	41.8
111.08081	12.6
111.11707	13.0
121.10129	100.0
123.11687	18.3
125.09608	11.7
135.11690	79.6
135.44389	8.9
149.13257	42.7
151.14864	12.0
163.14897	15.6
170.42101	9.0
196.98322	9.2
197.23032	9.4
247.24197	67.4
265.25217	55.4
272.68423	9.3
339.28864	24.4
349.64368	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	357.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	2.7
55.05262	3.6
55.05512	51.8
56.05829	4.8
57.03422	9.0
57.07074	31.9
61.10493	2.5
61.90086	2.4
67.05503	47.1
69.07066	69.7
70.06580	8.7
71.08624	14.1
72.85284	2.5
79.05490	35.1
81.07054	51.6
83.04962	2.8
83.08612	38.3
85.10172	8.3
88.07624	16.7
91.05473	3.0
93.07047	40.8
95.08059	4.0
95.08611	56.8
97.06532	18.8
97.10165	30.4
102.09158	3.9
106.08669	5.8
107.08585	32.0
109.10155	27.7
111.08085	10.1
111.11711	11.5
121.10138	59.2
123.11739	11.8
125.09616	7.1
125.13250	4.0
135.11694	41.6
137.13237	5.4
139.11130	6.1
149.13248	21.1
151.14819	5.7
153.12758	3.2
163.14809	8.3
165.16371	5.4
167.04129	2.4
167.14380	2.7
177.16347	7.2
191.17888	3.6
198.85789	2.6
247.24202	44.5
265.25278	32.3
335.20685	5.4
339.28934	22.3
339.34653	6.1
344.40918	3.0
353.21802	6.6
357.35553	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19289	1.0
54.39650	0.9
56.05030	3.2
56.66636	1.1
57.07067	4.2
58.04079	7.9
58.06578	1.7
59.04854	2.5
60.04507	4.5
67.05495	2.1
68.05010	2.3
70.06577	2.5
71.08629	5.6
71.59013	1.4
72.04522	7.0
72.05642	2.6
74.06078	39.1
76.05119	12.2
79.05491	1.2
81.07050	4.1
82.06562	1.5
84.05630	2.3
84.08142	5.6
85.04034	1.6
85.10180	2.3
91.05791	2.4
95.08582	2.4
100.07600	3.4
102.06667	9.8
106.06125	1.2
107.06892	1.0
112.03954	2.8
116.08209	100.0
117.08618	1.4
118.05016	2.2
119.08495	1.0
143.08147	1.1
159.12389	4.3
160.07161	3.7
183.17479	1.7
198.18620	1.4
212.20058	5.9
223.18080	4.5
238.21632	18.5
271.23788	1.5
282.20581	6.2
284.81931	1.2
313.25934	13.2
357.24774	7.3
375.04785	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	0.6
52.35495	0.6
53.03933	1.4
54.19961	0.5
55.01859	1.2
55.05497	2.0
57.03419	0.7
58.43105	0.6
66.37998	0.6
67.05505	5.8
69.03433	3.0
69.07053	1.0
70.06611	0.8
71.58039	0.8
79.05487	6.1
81.07056	3.5
83.04966	1.6
89.03896	1.1
91.05436	3.4
93.07038	2.1
94.04151	0.7
94.40096	0.5
95.04979	4.2
95.08602	1.9
97.02887	100.0
97.06540	2.3
98.03222	1.0
99.04437	3.1
103.05446	0.8
105.07025	7.0
107.04959	6.5
107.08577	2.2
109.02898	0.9
109.06528	3.8
109.10149	17.0
111.04408	2.9
115.03909	0.8
115.05463	1.1
117.03389	2.1
117.07018	1.0
119.04919	0.9
119.08578	4.0
121.06493	1.8
122.03665	1.0
123.08033	0.7
125.06004	1.6
128.06244	3.1
129.07016	1.7
131.04962	0.8
131.08572	1.3
133.06470	1.0
133.10115	4.8
134.93361	0.6
135.04410	0.8
135.08061	1.6
137.05975	14.1
137.06943	1.1
137.09608	24.6
138.06352	1.0
138.09906	0.8
140.32512	0.6
143.08534	4.2
145.02831	3.9
145.06473	0.8
145.10080	1.5
146.07271	1.6
147.04425	1.1
147.08025	7.0
149.05983	1.6
151.03894	1.6
151.07478	1.4
153.01826	3.4
158.17589	0.6
159.08035	1.0
159.11734	0.6
161.05992	1.5
161.09612	35.3
163.07571	1.1
163.11240	1.0
165.09102	26.9
167.07066	1.2
175.07472	0.8
177.05472	6.6
177.09109	0.6
179.10648	3.1
182.01488	0.6
187.07535	0.8
187.11218	0.8
188.08835	0.7
189.09061	6.3
195.03018	1.1
197.11772	0.7
201.05432	0.6
205.08592	0.7
207.10109	5.8
219.08107	0.9
221.07813	0.7
226.98730	0.6
234.06885	0.8
235.07414	0.7
254.20244	0.7
257.11847	0.9
264.06912	0.8
278.09247	0.9
295.09720	0.8
307.09286	1.7
327.12241	2.2
339.11383	1.5
357.13922	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
55.01874	0.3
55.05489	0.3
57.03421	0.6
58.73115	0.2
61.02917	0.5
65.03905	0.2
66.75079	0.2
67.05485	0.3
69.03436	1.0
71.04996	0.3
71.58402	0.3
76.20535	0.2
79.05496	0.3
80.05014	2.8
81.03408	0.7
81.04520	0.4
81.07059	0.5
85.02898	3.4
85.18988	0.2
91.05410	0.3
94.04190	0.6
94.06573	0.5
95.04977	0.3
97.02892	1.6
99.04498	0.5
105.07059	0.2
107.06065	0.5
107.08588	0.4
108.02086	0.2
115.05476	0.4
119.08574	0.3
121.07625	2.9
122.03663	1.8
122.08414	6.8
123.09195	5.5
127.03903	0.8
129.07024	0.3
133.07552	0.4
135.09177	14.0
136.09953	0.9
137.05975	27.0
138.06310	0.8
139.08664	10.8
140.09041	0.3
143.04903	1.4
145.04942	0.5
147.09175	0.7
151.03918	5.7
151.05037	0.5
151.07498	0.3
161.05901	0.3
161.09596	0.3
162.11559	0.4
167.07021	0.2
175.07504	0.6
177.13870	100.0
178.14256	2.4
195.01093	0.6
195.14928	16.2
196.15375	0.3
203.07022	0.7
205.08612	0.9
225.53406	0.3
250.22731	0.2
307.09702	0.2
321.11444	0.2
327.12244	3.2
328.12488	0.3
339.12219	0.2
357.13159	4.1
357.19440	1.0
358.13547	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1332
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
55.01865	17.1
65.03920	5.7
70.83309	8.4
70.83666	10.6
74.62225	4.3
79.05494	8.9
81.07046	7.2
91.05479	14.3
91.85219	4.2
94.04173	5.6
95.04936	5.8
97.02915	6.7
103.05435	8.8
105.06997	9.4
106.81479	4.9
107.04975	8.5
109.06506	5.9
111.04445	8.8
115.05450	11.7
116.73453	4.2
122.03700	21.2
125.06011	10.1
131.04919	13.4
131.50349	4.2
133.06487	4.6
137.05974	100.0
143.04950	5.9
144.05676	5.0
145.02867	4.8
146.03651	10.2
147.04468	7.6
149.05939	7.8
151.03912	25.6
151.04970	4.7
153.05461	9.5
155.04858	5.2
160.05106	5.8
161.05977	17.6
162.06688	5.8
165.05482	30.8
165.06682	5.4
175.07573	10.4
175.24184	4.5
177.05446	17.3
179.08472	6.4
183.04475	8.0
185.06061	5.1
187.07530	8.4
189.01782	6.7
189.07066	10.0
190.07751	14.0
191.08530	16.2
203.07039	18.0
205.08499	6.0
206.07370	8.0
207.08026	9.3
208.08717	5.9
215.07065	14.0
218.07341	19.1
219.08049	27.4
221.05968	8.1
224.08284	6.4
229.06496	9.3
233.09738	4.8
234.06772	13.7
235.07558	21.7
236.08366	8.6
237.02444	4.1
246.06737	13.1
247.07559	29.4
248.08263	10.3
249.09096	12.1
251.06990	6.6
257.05936	9.7
261.09070	29.5
262.06329	5.8
263.07059	10.2
264.07739	20.7
265.08548	7.5
267.10239	6.3
274.06335	12.8
275.07040	20.2
277.08569	27.5
278.09402	5.4
279.10147	20.0
289.08578	38.7
290.08975	6.0
291.06601	9.0
292.07449	5.9
294.08945	11.6
295.09628	14.8
299.12875	7.2
306.09018	8.9
307.09674	66.7
308.10129	6.5
309.11264	14.9
321.11154	45.7
325.10526	4.6
327.12271	54.4
339.05093	9.4
339.12256	32.1
339.22540	4.6
357.13348	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	357.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65612	1.6
52.18879	1.5
53.03922	1.3
53.08789	1.2
64.43429	1.2
67.05491	3.9
69.03441	1.6
69.62502	1.3
70.06575	1.2
71.58287	1.5
71.58659	1.9
75.08403	1.3
78.46523	1.3
79.05476	2.8
79.83760	1.2
81.07052	3.8
84.08125	1.2
85.02898	1.6
85.06521	2.0
86.09697	3.8
91.05424	1.9
91.05850	1.9
93.07028	2.3
95.04945	3.3
95.08614	2.1
97.02888	3.0
97.06469	1.6
103.05466	3.7
105.07024	3.8
107.04939	4.3
107.08566	1.5
109.10146	3.2
114.09219	1.7
121.10194	1.3
122.03658	2.2
123.04409	1.7
123.11717	1.4
131.04890	4.6
131.42755	1.3
135.08044	3.5
137.05966	20.8
151.03951	3.6
151.07524	3.0
153.48193	1.3
161.05989	2.3
163.03876	1.5
163.07539	10.2
167.07024	2.7
175.07524	2.4
176.85271	1.2
185.04181	9.2
195.06282	100.0
196.06654	4.0
205.47510	1.6
219.07935	1.6
226.14336	1.5
228.32674	1.4
327.12390	2.0
355.31360	1.5
357.11252	18.9
358.09213	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1179
Annotation	Juglanoside D
Peak:m/z	Relative Intensity
53.03948	0.3
57.03435	0.3
65.03902	0.3
67.05492	0.5
69.03419	1.0
70.06588	0.8
71.57659	0.4
79.05482	0.4
81.03407	0.5
81.07069	0.3
82.44530	0.3
83.01300	0.3
84.04495	0.4
84.08134	0.3
85.02906	0.9
86.09685	0.4
91.05489	1.2
93.46423	0.2
94.04162	1.3
95.01320	2.1
95.04979	0.5
97.02863	0.6
103.05440	0.7
105.07029	0.5
107.04915	0.8
109.02892	0.3
111.04443	0.4
116.07116	0.3
119.04946	1.7
120.47373	0.3
122.02761	0.3
122.03648	5.8
123.04422	0.2
127.03973	0.4
131.04948	1.3
135.04381	0.3
137.05977	100.0
138.06314	2.4
141.01826	0.9
151.07515	1.7
153.05450	0.5
161.06049	0.3
161.14240	0.3
163.07544	2.1
167.50581	0.3
177.03981	0.3
181.04982	2.4
181.08549	1.9
195.01228	0.4
195.02904	1.7
237.03935	0.3
250.31259	0.3
275.84299	0.3
287.00610	0.4
357.07639	0.3
357.15268	6.4
357.19452	0.4
358.15244	0.3
360.09760	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	356.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.6
56.96573	1.5
57.03435	1.1
57.05807	0.6
58.06591	1.4
65.40117	0.7
67.05499	1.7
67.09267	0.6
69.03415	0.7
69.07064	8.3
69.85760	1.3
69.86176	2.8
70.02946	1.0
70.51962	0.6
72.08157	47.9
79.05497	1.3
81.03397	1.6
81.07062	1.3
83.04954	0.7
84.08144	1.3
85.02914	1.0
85.04034	1.4
87.89158	0.6
93.07027	0.8
93.88633	0.6
95.04974	1.0
95.08617	1.0
97.02870	0.9
98.06059	1.8
101.03510	4.4
102.53874	0.6
104.36449	0.6
105.07041	0.9
109.22220	0.7
115.08696	5.4
118.08646	1.3
127.08678	11.2
137.06033	0.8
141.10201	4.2
143.08162	100.0
144.08604	1.4
157.16762	0.6
161.09193	1.7
169.09737	1.4
173.09230	3.1
183.14978	1.3
193.12314	1.2
211.14426	74.0
212.14725	1.9
239.13913	17.3
267.09073	2.3
284.30487	0.6
285.10071	7.1
310.21249	8.0
338.20905	0.8
356.21915	1.5
356.27737	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89606	2.4
54.22234	2.0
56.36979	1.9
62.08471	2.1
65.48186	1.8
69.98449	10.6
70.06574	8.0
70.38255	2.0
71.12835	1.9
72.08167	4.2
79.63893	1.9
84.08129	8.0
98.70068	2.0
106.76947	2.0
121.70316	2.3
124.07565	2.1
153.00981	4.2
156.97545	2.5
158.99936	2.8
174.98566	5.1
177.00949	80.7
178.01122	2.2
184.02341	2.4
189.93431	2.1
194.98940	2.4
198.98524	4.4
201.01042	5.7
213.00101	4.6
217.04085	48.7
218.03940	2.2
219.02014	55.8
220.02058	5.0
227.02502	13.0
229.04074	4.3
231.01184	2.5
241.05743	2.1
242.98019	2.9
243.01967	12.0
245.03581	100.0
246.03851	4.3
247.01477	7.4
251.02527	4.7
258.97287	3.5
261.03076	22.1
268.05133	2.4
269.03613	26.1
271.01468	33.6
286.96887	8.3
287.01663	2.2
287.04535	12.4
289.02530	39.9
292.05249	2.3
292.18536	2.2
294.03101	3.3
301.01730	9.6
312.04193	4.0
314.85037	3.1
315.00516	27.1
333.01535	74.3
333.05130	11.9
334.01825	4.4
351.06265	3.4
356.03177	3.6
356.97754	4.9
357.04364	3.6
357.25009	11.0
375.06180	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	356.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.8
55.01894	4.1
57.03432	11.2
60.42351	3.6
61.02921	8.3
69.03434	38.4
70.06585	8.2
71.04979	4.3
73.02930	6.9
73.04771	6.1
73.06553	17.5
81.03428	21.7
84.04495	4.4
85.02904	100.0
86.09669	4.0
87.00838	43.9
87.04531	3.4
91.05810	43.6
92.05717	5.6
93.05430	3.6
97.02883	33.0
99.04453	15.5
105.01870	83.6
109.02885	32.7
114.07333	4.4
122.06016	5.0
127.03921	75.4
129.01863	3.9
131.04898	3.6
137.05981	29.1
138.05519	3.8
145.04974	26.4
147.04332	4.2
159.02901	16.9
163.04008	4.3
164.04291	3.4
181.04944	4.8
193.05045	5.7
194.05301	6.7
195.02924	14.1
213.03821	5.1
224.11418	5.4
230.67813	5.8
231.04967	17.9
249.06175	3.9
251.52003	3.6
269.97971	6.6
285.00983	4.6
286.00949	6.8
356.07037	9.7
356.13538	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	355.2841
Annotation	1-Linoleoyl-(2S)-glycerol
Peak:m/z	Relative Intensity
55.05508	42.7
56.96559	12.5
57.03431	14.4
57.07069	14.1
67.05508	70.7
67.11978	3.2
69.06718	5.7
69.07064	54.5
70.28751	3.2
70.70865	3.1
71.04986	4.8
71.08630	8.7
79.05492	33.4
81.07059	100.0
83.04971	3.4
83.08629	35.5
84.47529	3.2
85.06522	4.2
85.10148	3.7
91.05436	10.8
91.05868	10.1
93.07049	34.3
95.04948	4.0
95.08605	77.5
95.09167	6.1
97.06551	7.8
97.10181	26.2
99.08121	5.3
105.07018	17.6
107.08573	25.2
109.10159	40.1
111.08099	6.8
111.11723	7.2
119.08582	19.8
121.10146	28.0
123.11720	23.0
125.09649	5.1
125.13297	5.4
128.98648	5.9
133.10100	19.3
135.11700	17.7
137.13258	11.3
139.11208	3.5
143.08591	3.7
146.99658	6.1
147.11694	16.5
149.13272	13.6
151.14766	4.9
161.13249	16.0
163.14848	15.3
165.16438	6.8
175.14824	10.2
178.51984	4.3
189.16402	10.8
245.22647	40.0
263.23749	44.3
268.97726	6.2
285.00974	4.4
287.25113	3.5
315.16165	9.7
333.17365	33.0
337.27332	24.4
351.18607	15.8
355.07037	6.6
355.28448	13.3
355.33997	11.4
356.19067	4.9
373.40302	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	355.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.4
56.05038	6.0
56.96565	1.4
57.07079	8.7
60.05635	1.5
67.05507	2.9
69.07051	4.0
69.38757	9.0
69.39159	3.0
70.06590	61.1
71.08633	11.6
72.08154	34.7
73.04761	2.1
79.05476	1.8
81.07053	8.9
82.06582	5.3
85.10174	5.4
91.05808	13.1
95.08605	10.9
96.08144	3.5
97.07643	15.9
98.09692	100.0
99.09212	8.2
99.09972	1.7
109.10159	1.5
112.08729	8.6
114.07460	1.8
114.09473	1.8
114.10287	36.4
123.09247	1.4
124.07581	1.2
140.11835	11.1
147.04518	1.2
155.14211	1.7
157.14516	5.5
158.14575	1.1
198.18530	7.5
198.54904	1.3
223.17999	9.7
252.23228	27.7
268.97891	3.0
276.24438	5.9
285.00967	3.3
294.25339	13.9
311.28030	80.1
312.28418	3.7
314.10443	1.3
315.25601	1.3
355.04697	1.7
355.07678	1.5
355.11627	2.0
355.26828	13.6
358.03470	3.4
373.06122	3.5
376.04520	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	355.2841
Annotation	1-Linoleoyl-(2S)-glycerol
Peak:m/z	Relative Intensity
55.05508	31.0
57.03438	23.3
57.07066	21.0
67.05504	73.1
69.07060	47.9
71.05000	9.0
71.09818	19.3
79.05494	30.8
81.07053	100.0
83.08633	55.9
91.05457	18.4
93.07055	29.2
95.08602	97.5
97.06528	11.6
97.10168	27.3
105.07034	14.8
107.08611	24.2
109.10186	54.0
119.08574	18.3
121.10164	34.0
123.11725	30.6
133.10141	29.4
135.11682	15.8
149.13269	34.3
161.13304	17.0
163.14861	23.9
165.16408	17.5
175.14864	16.7
179.18048	14.0
215.80020	8.7
245.22699	77.8
263.23697	56.0
337.27234	49.0
355.28220	35.7
355.43646	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	355.284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	35.5
57.02696	9.1
57.03418	12.5
57.07080	12.7
57.69968	7.0
59.17229	7.0
67.05501	71.9
69.07066	39.6
69.32580	79.7
71.08606	10.4
79.05472	29.3
81.06664	7.6
81.07063	100.0
83.08602	25.6
91.05461	15.1
93.07034	32.5
95.08608	81.2
97.06530	12.5
97.10154	18.6
103.75874	6.8
107.08572	30.9
108.66162	7.5
109.10160	40.9
119.08559	16.3
121.10121	28.7
123.11700	20.7
133.10086	16.8
135.11668	21.6
137.13226	10.3
147.11624	19.1
149.13252	14.2
161.13249	8.9
162.24985	8.7
163.14810	14.1
189.16399	9.2
245.22690	46.3
263.23776	38.1
290.62436	8.1
337.27332	24.6
355.28278	56.6
376.33099	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	355.1728
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
55.05519	1.0
56.96561	0.9
60.42909	0.7
67.05503	1.6
69.07048	1.1
71.58042	1.1
71.84018	0.9
73.04749	2.7
81.07047	1.9
86.09702	1.1
91.05822	13.1
93.07051	2.2
93.76823	0.8
95.08607	1.2
97.02887	2.0
100.11270	1.0
107.04979	1.5
107.08597	1.9
107.51486	0.9
109.10114	1.9
110.06052	1.1
119.08564	1.4
121.10178	0.8
123.04408	1.4
131.04858	0.8
137.05972	2.5
147.93069	0.9
161.06009	1.1
163.03940	1.1
164.07077	2.2
167.07060	1.2
171.04465	0.9
174.16487	0.8
175.07623	1.1
183.40079	0.9
200.47090	0.8
201.03691	5.8
201.05518	2.7
203.05286	4.4
203.06940	1.1
210.14879	1.1
234.06746	1.1
252.07761	1.0
268.97910	2.4
277.08527	1.4
285.00839	2.9
303.01926	1.0
305.08533	1.2
307.56766	1.0
309.11337	0.9
325.10800	1.3
327.12183	1.0
337.10858	1.7
355.07721	2.7
355.12204	5.8
355.17270	100.0
356.17593	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	355.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.8
55.01868	5.6
55.05504	8.5
57.03439	1.8
57.07066	4.1
60.74846	1.6
65.03942	3.1
67.05501	25.7
69.03419	4.4
69.07062	8.2
71.13545	4.2
71.13895	2.3
73.04762	2.4
79.05493	36.5
81.03412	4.5
81.07058	39.2
83.04989	4.9
83.08600	4.5
85.02888	5.4
85.06538	6.8
91.05440	30.8
93.07043	43.6
95.04967	13.3
95.08606	27.1
97.06517	6.1
100.11209	2.0
105.07031	45.0
107.04967	9.3
107.08588	26.8
109.02865	2.6
109.06512	16.6
109.10153	8.9
111.04443	4.8
117.07005	12.3
119.04934	2.5
119.08582	30.6
121.06499	5.9
121.10160	18.8
123.04430	4.4
123.11707	2.3
125.05994	100.0
127.07572	2.0
128.06212	5.1
129.07047	12.3
130.07834	2.3
131.05013	2.7
131.08574	23.4
133.06496	4.1
133.10121	23.2
135.04430	3.1
135.08049	4.0
135.11679	11.9
137.06003	6.7
137.09677	2.6
139.03900	5.1
141.07001	4.8
142.07794	5.4
143.08559	16.6
144.09299	3.3
145.06514	3.5
145.10114	29.6
147.04419	3.0
147.08122	2.8
147.11690	18.8
149.13264	3.3
151.03934	2.7
153.05466	58.8
153.06752	3.5
155.05916	2.3
155.07043	22.2
155.08556	10.3
156.09282	2.7
157.06557	2.0
157.10132	17.3
159.08051	3.6
159.11702	29.4
161.05974	4.3
161.09608	3.8
161.13309	9.4
163.03941	4.3
163.07527	3.8
166.79216	1.8
167.07150	2.3
167.08556	4.5
168.09177	2.6
169.10139	7.2
171.11687	9.3
173.05991	3.9
173.09656	2.4
173.13264	7.7
175.07559	5.5
175.11214	2.7
175.14821	26.9
177.09077	3.3
179.08496	2.6
181.08725	2.6
181.10042	8.4
183.11670	7.7
185.09689	2.1
185.13264	10.7
187.07610	4.0
187.11200	3.5
187.14856	8.1
189.05496	3.0
189.09154	4.1
189.16299	8.8
190.07790	2.4
191.03323	1.9
191.07045	2.7
193.05031	3.4
193.08641	2.6
193.10249	3.2
195.11713	5.6
197.13269	8.1
199.11209	2.1
199.14836	9.3
201.05481	7.7
201.09117	2.1
201.16388	30.3
203.06992	2.9
203.10706	2.7
205.06656	2.8
205.08611	12.1
205.10294	2.2
205.12357	1.9
206.10953	1.9
207.11755	3.6
209.13258	8.2
211.09518	2.7
211.14888	6.0
213.05516	2.5
213.12791	2.5
213.16383	5.3
215.10603	2.3
215.17915	5.4
217.08652	5.5
217.12088	2.9
221.09491	1.9
221.13187	5.2
223.09570	12.1
223.14790	4.4
225.09029	2.0
227.10616	3.4
227.14305	2.0
229.08746	2.5
229.12256	4.6
231.10138	4.0
234.06674	2.5
235.09698	6.4
235.14850	6.0
237.16399	3.9
241.12314	2.6
245.11780	2.2
247.09659	2.6
249.16449	2.9
251.17944	3.4
253.19630	4.0
255.13861	3.5
259.09726	5.6
262.06311	3.8
263.06787	2.3
263.17850	2.1
267.13950	2.8
271.09671	6.2
277.08304	2.2
277.10791	17.3
277.19583	6.5
281.15326	4.1
283.09570	4.0
289.10706	13.6
290.05545	2.0
291.21085	7.5
295.09695	4.1
295.17059	2.4
295.20657	1.9
301.10828	6.6
301.18936	2.1
305.08118	5.6
309.18854	2.4
309.22012	9.0
319.11771	2.9
319.20615	7.5
323.09137	2.6
337.13165	2.3
337.21576	43.0
338.22137	2.8
355.07895	88.4
355.11664	4.0
355.22650	57.3
356.08322	9.9
356.23184	2.8
374.68802	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57118	0.8
59.19609	0.7
69.03418	1.0
69.07042	1.1
70.06567	2.0
71.11211	1.5
71.11614	2.7
73.04747	3.5
75.79550	0.7
79.05492	1.7
81.07044	1.3
83.08614	0.9
84.04498	1.6
84.08138	1.4
86.09705	4.2
91.05825	17.8
93.07018	1.1
95.08564	0.8
97.02902	0.9
105.07015	1.0
107.04959	3.9
114.07355	0.9
121.06487	0.8
121.66388	0.9
123.04427	0.9
131.04893	0.9
133.06493	1.8
135.04387	1.2
137.05959	2.9
145.06488	0.9
147.04405	1.2
156.22302	0.9
158.39313	0.7
161.05937	0.9
163.03883	0.9
166.94991	0.9
191.08864	1.5
201.05453	3.2
203.05267	66.0
242.15118	1.0
244.07942	1.4
259.96051	0.9
268.97818	4.4
285.00964	3.4
303.02008	1.6
305.08139	1.1
355.08020	3.9
355.17264	100.0
356.17554	1.7
365.88428	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.15
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29191	0.9
53.03946	1.4
55.01873	1.0
55.05504	2.6
56.96550	1.3
57.03436	1.3
61.02961	0.9
66.35104	0.9
67.05495	3.8
69.03426	5.4
69.99429	2.4
69.99860	3.1
70.06592	1.2
71.05013	1.1
73.04747	7.6
79.05501	1.1
81.03407	4.5
81.07070	1.6
82.06577	6.1
83.04946	0.9
83.08615	1.2
85.02919	1.2
86.09709	1.1
91.05804	42.2
92.05693	1.1
93.03692	1.4
93.07039	1.4
95.04994	1.3
97.02914	0.9
98.06065	1.5
98.21480	1.5
98.97546	1.8
99.04434	2.3
101.76191	1.1
104.21539	1.2
106.64338	0.9
110.06049	17.5
114.07357	2.7
116.98597	1.4
121.10123	1.2
122.06096	1.4
126.05509	7.0
128.07100	2.8
133.02881	1.1
134.99670	1.8
135.04463	2.0
136.07573	60.4
138.05510	3.6
140.07066	1.4
148.03888	1.2
152.07074	3.9
156.06590	1.1
157.03970	1.2
162.05414	0.9
163.03874	4.7
164.07065	100.0
175.04997	1.5
177.00743	2.1
177.06621	2.8
182.08133	69.2
183.08466	1.7
193.05002	6.1
203.04482	4.2
205.06163	1.1
209.15446	1.0
219.01791	1.1
221.05577	19.3
222.75781	0.9
230.08133	1.1
237.02835	4.1
256.09598	1.5
259.10687	1.3
268.97839	8.1
269.97540	1.2
278.10361	1.0
285.00958	12.2
302.10266	3.8
303.02084	5.0
303.07449	0.9
319.09561	1.5
319.12955	5.4
320.11337	2.5
321.08545	3.4
337.10269	4.6
337.13934	1.6
355.06912	7.8
355.11310	4.8
363.09662	1.5
373.08078	1.9
378.73618	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86586	0.7
53.03909	1.1
55.05453	0.8
67.05464	2.8
69.03380	0.9
71.02167	2.0
73.04754	5.4
79.05473	0.9
81.03403	0.7
82.06579	7.1
85.02895	1.0
86.13383	0.8
91.05798	28.6
93.07007	1.5
98.06016	0.8
98.97507	0.8
108.08090	0.9
110.05284	1.5
110.06032	17.5
114.07326	1.2
114.76187	0.8
122.05988	1.7
125.07075	1.5
126.05511	7.7
128.07104	1.8
135.04413	1.6
136.07570	62.0
137.06001	0.8
137.07903	1.5
138.05502	2.7
140.07001	1.5
140.36438	0.7
150.05284	0.9
152.07062	2.1
153.38612	0.6
156.06557	1.2
159.34624	0.8
163.03896	3.8
164.07060	100.0
165.07397	1.8
166.04933	0.7
182.08122	72.4
183.08447	1.7
185.04227	1.1
192.03941	5.2
193.04773	4.4
218.61577	0.8
230.08109	1.1
237.18338	0.7
268.97870	7.0
274.10504	0.8
285.00964	9.3
286.00830	0.8
301.11945	1.1
302.10367	2.5
303.02164	2.5
319.12866	1.5
320.11349	1.6
355.10181	29.4
355.13620	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	6.4
55.05503	3.4
57.03443	7.6
57.07074	13.0
61.02919	3.5
67.05501	13.8
68.69895	1.4
68.99785	3.2
69.03429	3.4
69.07053	1.3
69.62821	10.2
69.63222	3.4
73.02892	2.8
76.52146	1.3
79.05479	3.2
80.82603	1.2
81.03410	5.2
81.07039	4.2
85.02911	11.9
85.06542	29.2
91.05450	3.4
93.07057	1.7
95.04965	2.0
97.02879	3.5
98.02607	1.5
103.03925	4.6
105.06998	2.0
107.04942	3.8
107.08556	1.7
109.02868	11.4
109.06512	5.1
115.05505	1.7
121.02892	1.9
123.04435	4.6
127.03905	2.6
127.07564	6.0
131.08572	3.6
133.06525	3.2
135.04416	1.8
135.08054	3.0
137.06000	3.7
139.03886	2.5
143.08540	2.9
145.06474	3.9
145.10048	1.6
147.04410	12.9
147.08047	1.6
149.06044	3.6
151.03883	8.6
153.05434	2.6
159.08038	3.8
161.02356	2.0
161.05963	8.8
162.06741	1.5
163.03883	7.0
163.07541	6.6
165.01913	1.5
169.08662	1.7
171.04364	1.9
171.08003	1.5
172.99815	1.5
173.05963	4.0
175.03931	3.4
175.07489	7.6
177.05438	5.8
177.09073	5.4
179.03418	1.6
185.06084	1.7
185.09608	3.1
185.50069	1.3
187.07571	5.9
189.05455	5.5
189.09125	15.3
191.03395	4.9
191.07008	3.7
192.04106	3.1
192.07951	2.1
193.04977	5.1
193.08614	4.3
195.06528	2.9
197.09605	2.0
199.07529	1.5
201.05450	12.7
201.09113	4.0
202.06223	3.3
203.07097	4.2
203.10654	8.8
205.04903	1.8
205.08592	41.6
206.09109	1.6
211.07712	2.7
211.09573	14.0
213.09177	3.0
214.06245	2.8
215.06987	4.0
217.05122	2.5
217.08635	17.0
219.06528	2.7
223.07721	1.8
223.09651	52.9
227.06993	2.4
229.08568	17.5
230.09087	1.7
231.06563	4.7
231.10144	17.6
233.07977	2.1
235.05951	2.9
235.09647	36.1
241.08647	3.1
243.10210	4.4
245.11685	2.5
247.09592	8.5
249.11147	5.6
255.10158	3.2
257.08078	2.8
259.09644	22.6
268.07220	2.0
271.09647	35.5
273.11343	3.2
277.10727	100.0
278.10944	4.5
283.09653	22.5
289.10690	64.9
290.10959	3.2
291.12381	1.8
301.10687	44.9
301.14105	2.2
305.08139	2.5
307.11749	6.4
319.11713	19.1
337.12906	19.5
355.13797	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1385
Annotation	Piptocarphin D
Peak:m/z	Relative Intensity
55.01863	6.3
55.05495	3.1
57.03432	6.0
57.07073	15.5
57.60337	1.6
61.02917	3.6
64.44725	1.5
67.05507	18.2
68.99787	3.5
69.03416	3.6
69.07071	2.9
71.04980	2.2
71.58249	2.5
73.02918	2.0
73.04746	3.1
79.05490	6.9
79.76850	1.6
81.03407	3.8
81.07048	8.0
83.04989	2.0
84.08131	2.2
85.02894	12.9
85.06548	28.4
86.09710	2.1
91.05847	18.0
93.07043	5.8
95.04944	5.5
95.08621	3.3
97.02879	4.8
103.03946	5.1
103.05449	3.6
105.07021	6.4
107.04946	7.6
107.08588	2.2
109.02879	12.5
109.06527	6.6
109.10160	3.6
113.02361	4.5
117.07015	2.8
119.08558	6.4
121.02842	3.0
121.06532	3.2
121.10135	3.1
123.04429	7.1
123.08049	3.3
127.03904	3.5
127.07552	4.7
127.66698	1.9
131.08591	3.1
133.06435	3.8
133.10123	2.8
135.04422	3.8
135.08064	4.0
135.11687	2.6
137.05931	9.7
139.03917	4.5
141.07022	2.5
143.08540	2.5
145.06483	2.9
147.04393	15.0
147.08052	2.6
149.02362	2.5
151.03902	7.9
151.07591	3.0
153.05348	2.2
157.10123	2.5
159.08107	4.2
161.05998	9.7
161.09654	3.6
163.03864	8.5
163.07524	8.5
165.05492	3.2
167.06963	2.8
171.06593	1.9
171.08012	2.3
173.06006	4.3
175.03954	4.2
175.07564	9.7
177.05449	5.8
177.09129	4.2
179.03426	3.3
185.09663	4.8
187.07544	8.7
189.05490	6.8
189.09102	11.1
191.03307	3.1
191.07040	4.6
193.04890	8.9
193.08585	4.6
197.05945	2.4
198.06821	3.0
199.07523	2.3
201.05476	13.3
201.09151	3.0
202.06038	1.9
203.05276	2.7
203.07010	6.4
203.10651	7.8
205.05028	1.9
205.08585	37.5
211.07748	3.1
211.09686	14.0
211.11424	2.2
213.05602	3.5
213.09123	5.4
214.06230	3.9
215.07027	3.4
215.10657	1.8
217.04926	2.3
217.08556	18.5
219.06610	3.0
223.09651	41.1
223.11667	3.8
227.07101	3.2
229.04890	2.2
229.08665	13.5
231.06509	2.7
231.10161	16.2
233.15421	3.8
234.06824	3.0
235.09622	27.3
241.08446	2.9
243.10175	3.8
245.04346	2.4
247.09688	9.0
249.07484	2.3
249.11226	4.4
251.07031	2.2
255.10225	3.8
259.09662	28.1
261.11209	2.0
268.07437	1.9
268.97803	6.4
271.09677	25.9
273.11224	3.8
275.09174	2.2
277.10718	100.0
278.10968	3.2
283.09610	17.5
285.00858	2.7
285.28043	2.0
289.10693	60.7
295.09564	2.6
301.10672	37.8
305.08035	2.5
307.11823	5.0
319.11771	22.1
323.09009	3.2
325.10480	2.8
337.13025	15.2
355.07275	3.5
355.11905	8.2
355.17606	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	355.1174
Annotation	3-Hydroxyterphenyllin
Peak:m/z	Relative Intensity
51.02390	1.1
55.01870	25.5
56.96560	1.6
61.42883	1.2
64.30838	1.1
65.03922	3.7
67.05477	2.4
69.07040	1.1
71.58535	1.0
73.04736	2.7
79.05458	2.8
81.07040	2.1
85.02880	4.0
91.05849	10.8
93.07033	1.9
95.04943	2.1
95.08584	1.4
97.02888	1.2
98.97575	4.1
102.04645	1.8
103.05445	3.1
105.07016	1.7
107.04939	8.5
110.03565	1.4
111.04428	4.9
115.05447	4.1
116.98614	2.7
117.06984	2.4
119.04965	1.3
121.02856	26.4
121.03748	2.5
125.05940	3.0
130.04120	1.9
131.04916	3.7
133.02861	1.7
133.06509	1.3
134.99654	1.6
145.06493	10.1
147.08092	1.3
149.02414	2.3
151.03853	2.5
152.06168	1.6
153.05435	3.5
153.06935	3.0
158.03670	2.1
159.04439	1.8
162.03191	1.5
165.06973	11.4
166.07715	2.8
167.06992	3.5
167.08531	3.6
171.04314	1.4
173.05972	13.9
174.06624	3.6
175.07474	2.7
177.06964	2.9
178.07745	16.8
179.08492	6.7
181.04944	5.5
181.06465	15.5
182.07111	2.5
183.07881	1.1
186.03053	2.4
189.06964	6.6
190.07712	3.9
191.08553	3.2
192.05634	1.7
193.06487	3.0
193.08536	2.3
194.07297	8.2
195.08034	8.8
196.08821	3.1
197.05945	2.4
198.06725	3.0
201.05457	32.8
202.06183	5.1
205.06491	9.2
206.07321	11.9
207.08055	14.0
208.08810	2.4
209.06020	8.5
210.06705	3.2
211.07578	3.2
213.09000	1.6
218.07243	5.3
219.01518	1.3
219.08054	3.9
220.05116	2.1
221.05951	5.4
221.09622	3.6
222.06688	4.4
223.07533	13.2
224.08313	13.3
225.09108	2.5
226.06293	3.0
233.05952	4.1
234.06783	11.7
235.07469	13.5
236.08226	5.4
237.03079	1.4
237.05455	5.2
237.09062	9.8
238.06314	2.1
239.06937	1.8
239.10716	3.0
240.07843	2.5
241.08549	2.7
245.08089	10.2
248.08368	1.6
249.05487	3.5
249.09108	7.9
250.09811	1.6
251.07019	9.4
252.07806	38.5
253.08505	7.8
254.05772	2.2
255.06450	1.8
257.07986	2.0
261.05502	1.7
262.06219	4.9
263.07001	8.5
264.07809	3.7
265.04956	3.6
265.08572	4.5
266.05664	1.6
266.09296	4.3
267.10165	25.9
268.97803	2.6
269.08047	5.1
277.08572	7.5
279.06641	7.5
279.09406	1.9
280.07315	11.2
281.07895	6.5
282.05212	1.3
284.10376	2.2
285.00919	3.1
291.06390	1.9
292.07239	1.4
293.07932	3.3
294.08789	4.6
295.09613	34.0
296.06961	1.4
296.10446	7.9
297.07581	6.1
299.12930	1.5
300.09866	1.6
305.07962	4.1
308.06934	2.1
309.07446	4.4
309.10864	1.9
311.08954	2.2
312.09872	4.2
312.66779	1.2
322.08243	3.5
323.09116	100.0
324.09705	6.8
327.12238	35.6
337.10721	10.4
340.09393	3.5
355.11649	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1175
Annotation	3-Hydroxyterphenyllin
Peak:m/z	Relative Intensity
53.05044	3.3
55.01867	8.4
55.05503	7.1
67.05463	5.4
69.49254	30.1
73.04739	8.0
79.05466	4.2
81.07043	5.7
91.05840	49.0
95.04954	4.3
95.08581	5.2
96.02085	5.7
97.10152	3.8
100.11227	10.0
103.05450	5.6
105.07014	3.7
107.04944	7.6
107.08569	4.7
109.10074	4.0
111.04431	19.4
115.05431	6.5
117.07032	5.3
119.08492	3.7
129.06961	3.4
131.04919	6.7
137.05966	7.6
139.03938	4.5
145.06497	7.3
152.06207	3.5
159.08022	4.7
161.05878	4.7
162.13068	3.2
163.03836	4.1
165.06984	13.8
166.07820	5.9
167.07100	4.5
167.08568	7.0
168.05800	3.4
171.04349	6.0
173.05972	3.8
175.07564	6.0
177.06941	4.9
178.07753	19.0
179.08415	7.5
180.05785	5.0
181.06441	9.6
183.08141	4.2
185.05978	4.2
186.06708	9.3
187.07463	3.8
189.07010	6.8
190.07739	4.3
191.06915	5.2
191.08508	8.3
193.06503	6.0
194.07236	11.8
195.04240	4.4
195.08093	10.2
196.08836	4.5
198.67488	3.6
199.07526	6.1
201.05466	7.4
203.30298	3.4
205.06448	16.5
206.07339	16.0
206.90715	3.8
207.08159	8.0
208.08716	4.7
209.05853	8.1
209.09601	10.3
210.06760	6.5
211.07506	8.4
212.08189	3.3
216.07861	8.5
219.08003	11.1
220.05331	5.0
220.08881	7.2
221.05890	20.4
221.09584	7.8
222.06761	12.7
223.07562	13.9
224.08339	12.5
225.09052	9.2
226.09822	4.7
233.05940	10.2
234.06720	15.5
235.07542	18.6
236.04594	5.9
236.08344	25.1
237.05493	3.7
237.09099	29.5
238.06161	4.8
239.07031	19.8
239.10616	4.8
241.08484	7.6
246.06775	5.1
247.07417	6.6
248.08385	5.6
249.05522	3.9
249.09076	10.0
250.06268	12.4
250.09940	3.9
251.07050	31.1
251.09406	3.7
251.10733	7.6
252.07797	8.1
253.08649	9.5
254.05745	3.2
262.06161	4.7
263.06964	4.7
264.07819	5.8
265.08597	53.5
266.09344	10.6
267.06528	19.8
267.10214	18.0
268.07309	7.6
268.97836	10.0
269.08032	5.7
269.11688	10.7
277.08517	13.9
279.06558	16.0
279.09756	6.6
280.07333	5.8
281.08084	12.7
281.11508	4.0
282.08878	7.4
283.09708	6.7
285.00952	12.5
292.07294	6.0
293.08075	21.4
294.08847	11.5
295.09680	51.5
297.07971	4.6
297.11227	23.6
299.12912	4.4
305.08209	6.6
309.07516	4.3
309.10986	6.6
310.08337	20.5
323.09113	55.0
323.12521	6.3
325.10675	100.0
327.12262	24.0
337.10577	9.1
344.56567	3.5
355.07376	4.9
355.11713	95.4
355.15958	5.8
355.26303	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	355.1175
Annotation	4'-O-Demethylsuchilactone
Peak:m/z	Relative Intensity
67.05500	4.3
71.58472	4.7
73.04787	3.5
81.07079	3.1
91.05838	17.3
95.04995	4.2
111.04438	15.4
115.05498	3.0
121.10179	2.9
123.04372	4.0
125.90469	2.7
133.06430	3.3
135.04439	3.0
137.05988	6.4
138.70488	2.8
139.03873	3.7
145.06464	4.3
147.04384	3.1
149.06023	3.3
159.08000	4.2
165.07050	10.4
166.07774	3.7
167.07024	4.9
167.08521	3.5
171.04482	3.0
177.05521	4.1
177.07050	4.1
177.09134	3.5
178.07803	12.8
179.08533	6.2
181.06471	5.8
186.06789	8.1
189.07037	7.6
190.07693	4.6
191.08566	5.7
193.06480	5.6
194.07269	8.8
195.08139	8.3
196.05219	5.0
201.05565	4.7
205.06558	9.0
206.07280	8.4
207.08057	13.7
208.08626	3.7
209.09641	7.2
210.06697	3.6
211.07590	6.1
213.05370	3.3
219.08000	12.8
221.06035	7.3
221.09682	3.6
222.06905	8.1
223.07559	13.7
224.08321	6.1
225.09221	5.9
233.05989	4.8
234.06755	12.3
235.07594	9.4
236.04761	3.4
236.08290	18.5
237.09129	24.4
238.06369	4.1
239.06969	9.1
247.07603	6.4
249.09138	7.3
250.06287	10.9
251.06992	26.9
251.10652	8.3
252.07861	9.3
253.08539	7.1
254.09430	4.8
262.06345	6.0
263.07086	6.5
264.07819	8.8
265.08600	44.7
266.05841	3.6
266.09338	10.6
267.06519	17.9
267.10114	12.8
269.11765	8.7
277.08655	9.2
279.06631	13.4
279.10013	8.2
280.07370	5.4
281.08011	6.4
282.08966	10.2
283.09570	4.0
293.08023	20.2
294.08844	9.4
295.09604	37.4
297.11307	23.5
305.08047	4.0
305.11542	4.0
309.11096	4.2
310.08356	12.2
312.09924	6.3
323.09042	35.1
323.12387	4.7
325.10675	100.0
327.12271	11.1
337.10532	5.6
349.72375	3.3
355.07339	5.9
355.11603	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	355.1175
Annotation	Seitomycin
Peak:m/z	Relative Intensity
61.22446	1.1
67.05499	1.6
69.03410	1.3
69.07070	1.2
70.13215	4.0
79.05482	2.2
81.07048	2.7
84.08232	1.0
84.73299	1.0
86.09670	2.3
90.25893	1.0
91.05869	10.2
93.07026	2.0
94.04163	5.6
95.04955	1.4
97.02929	1.1
103.05429	1.7
105.07023	3.5
107.04930	1.8
107.08591	1.1
109.06501	2.0
109.10178	1.5
115.05445	6.0
117.07011	3.0
119.04958	1.9
121.10096	1.4
122.03644	12.4
123.04472	1.2
125.05991	1.3
128.06219	1.0
130.04089	2.7
131.04875	1.5
132.10191	1.2
133.06467	1.9
133.10172	1.3
135.04439	1.2
137.05969	96.7
143.04988	1.5
144.04079	2.6
145.06496	5.6
146.03630	2.2
147.04367	2.9
147.08049	1.2
149.05968	2.0
151.03862	7.6
158.03610	8.6
160.05260	1.1
161.05966	7.5
162.03134	1.1
162.06688	2.5
167.07076	1.8
169.06433	1.2
170.03603	2.0
173.05972	13.4
174.12988	1.0
175.03857	1.1
175.07504	1.8
177.05569	1.4
177.06992	3.0
178.07700	9.5
178.08904	0.9
185.05878	1.1
186.03131	7.0
189.05527	1.6
189.07016	7.3
193.06546	1.0
194.07312	2.3
195.07967	1.5
198.03252	1.1
199.03859	1.1
201.05450	100.0
202.05945	1.3
202.07788	2.0
203.08572	1.3
205.06511	17.8
206.07239	14.2
208.05151	1.1
213.05461	6.8
214.06171	1.3
217.06529	5.5
218.07262	3.8
219.08075	2.2
220.05220	3.4
221.05948	3.1
221.09697	1.3
222.06721	3.5
223.07576	4.3
227.06888	1.0
231.06247	6.1
233.05994	9.7
234.06740	39.7
235.07497	8.9
237.09120	4.3
238.09843	1.3
239.07005	1.5
244.05130	2.7
245.05940	9.5
246.06747	2.6
247.07428	2.9
248.08380	3.0
249.05507	3.1
249.09085	10.7
250.06284	4.9
251.07088	5.5
252.07611	1.3
259.07520	3.1
261.05453	9.0
262.06238	33.5
263.07062	6.3
264.07745	2.8
265.08600	8.3
266.09274	1.9
267.06332	1.2
268.97934	2.9
272.04703	1.8
273.05380	12.2
274.06171	3.7
275.06812	1.6
276.07727	3.4
277.08557	35.3
278.05661	4.2
278.08969	1.8
279.06516	5.9
279.09833	1.4
280.07272	2.7
281.07870	1.2
281.11530	1.3
285.00970	3.9
287.06964	4.0
289.04913	4.2
289.07986	1.1
290.05704	48.7
291.06232	2.6
291.10007	2.4
292.07336	5.4
293.08017	11.1
294.08795	4.6
295.09534	3.9
304.07233	2.6
305.08063	89.1
306.08652	2.4
307.06006	3.0
307.09604	13.9
309.11133	7.8
310.07904	1.4
319.09595	11.1
321.07523	1.1
322.08368	6.7
323.09064	1.2
325.10681	14.9
337.10681	67.3
338.11066	1.7
355.07413	2.3
355.11862	3.1
355.17264	5.8
377.36395	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05009	1.4
58.01431	0.8
60.04517	0.9
68.99784	1.5
69.07077	1.1
70.06584	2.3
71.15376	1.7
72.08147	1.7
73.04755	4.8
84.04499	1.2
84.08130	3.3
86.09680	1.7
91.05816	24.0
93.03683	1.9
99.32510	1.0
103.05446	1.6
107.04941	1.2
114.07384	1.1
119.04932	3.4
121.02855	2.0
133.02858	12.5
133.06453	0.9
137.05989	9.5
147.04408	2.7
149.05977	3.0
151.03903	5.5
153.01797	2.2
162.06760	1.2
163.04022	1.0
165.05489	2.5
175.03943	1.4
175.07552	1.0
178.02568	7.2
193.04959	100.0
194.05312	1.9
201.05482	10.4
205.04759	1.4
219.02875	4.0
220.41357	1.0
224.11243	1.0
237.09282	1.0
262.06152	1.8
268.97910	5.8
277.08627	1.8
285.01016	8.0
291.04691	0.9
303.02008	2.8
305.07941	1.7
309.05838	1.6
323.09103	3.9
337.06427	1.8
337.10757	2.3
355.06909	7.7
355.17145	1.4
373.07953	1.4
376.58893	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02417	0.2
57.97113	0.2
61.02908	0.2
69.03410	0.6
70.06595	0.3
71.57590	0.3
73.04756	1.0
77.03927	0.3
81.07034	0.3
83.04955	0.3
85.02919	1.0
89.03898	0.4
91.05808	5.8
95.04929	0.3
97.02885	0.4
98.97585	0.3
99.25072	0.2
103.50957	0.2
105.03423	1.3
105.06995	0.4
105.21783	0.2
107.04972	0.2
109.10213	0.3
114.07298	0.3
117.03398	0.2
117.65147	0.2
119.04974	0.3
122.03637	1.3
123.04402	0.3
127.03927	0.3
130.90105	0.2
133.02850	17.7
134.03201	0.3
135.04453	0.3
136.07545	0.3
137.05977	4.5
141.06795	0.3
145.02873	0.3
149.03529	0.2
149.05957	0.8
150.03117	0.9
161.02409	0.2
163.03911	0.7
164.07088	0.4
165.04128	0.3
165.05458	2.7
178.02611	10.5
179.02879	0.3
182.08112	0.3
193.04961	100.0
194.05275	1.7
201.05493	0.6
220.58244	0.2
237.02893	0.3
268.97815	0.9
285.00912	1.7
303.02139	0.6
346.34030	0.2
355.06879	0.9
355.10464	1.2
355.13815	0.4
373.08182	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.7
67.05499	1.6
69.94087	5.0
73.04759	4.4
82.06587	1.5
91.05814	17.1
98.20833	1.1
98.21364	1.7
102.19771	1.0
110.06050	8.2
126.05519	3.9
128.07039	1.3
135.04375	1.2
136.07571	23.4
138.05521	2.9
139.03911	1.6
152.07086	1.6
163.03879	2.1
164.05688	1.5
164.07072	30.1
166.04993	1.4
177.01688	1.9
182.08124	27.6
184.06085	1.1
185.04279	3.4
192.03929	14.5
193.04744	11.4
221.05650	1.2
222.18729	0.9
223.14438	1.8
237.02901	1.0
240.15559	0.8
268.97855	4.2
285.00922	4.8
303.02231	1.3
321.16791	0.9
324.08240	4.9
325.08887	1.5
355.10046	100.0
356.10522	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	355.1022
Annotation	ST077074
Peak:m/z	Relative Intensity
55.05505	0.2
55.80687	0.2
60.53684	0.2
62.60130	0.1
63.72141	0.2
67.01573	0.1
67.01865	0.9
67.05490	0.2
67.85983	0.2
68.99793	0.4
69.03416	0.3
70.06595	0.2
73.04742	0.3
81.03388	0.2
82.12667	0.1
83.04973	0.2
85.02898	0.5
89.83195	0.1
91.05848	1.6
93.07049	0.2
95.04964	0.3
103.05447	0.2
107.04954	0.3
109.02866	0.2
110.73102	0.2
117.03353	0.2
119.04929	0.6
122.03607	0.2
125.05978	0.4
127.03918	0.5
133.06506	0.3
137.05989	1.0
147.04425	1.0
151.03896	0.6
151.07616	0.2
153.01852	0.9
161.05945	0.2
163.03897	0.4
169.04990	0.7
173.06035	0.2
175.03934	0.5
175.11182	1.2
177.05458	0.2
186.03075	0.2
189.07082	0.2
191.10638	0.1
193.04971	100.0
194.05299	1.8
201.05469	2.3
234.06850	0.3
262.06155	0.3
268.97879	0.4
277.08438	0.4
285.00992	0.5
303.02219	0.2
305.08038	0.2
323.09125	0.3
355.07001	0.3
355.17404	0.4
355.21844	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	355.1022
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
50.37412	0.2
56.96560	0.2
66.70879	0.2
69.03412	0.3
70.02959	0.2
70.72033	0.6
73.04758	1.0
77.03941	0.4
79.05476	0.3
84.04487	0.2
84.11337	0.2
85.02900	0.6
85.39884	0.2
89.03886	0.2
91.05807	4.2
94.04182	0.3
97.02899	0.4
105.03375	1.6
109.02886	0.2
110.00540	0.2
117.03354	0.3
122.03623	1.3
122.06005	0.2
123.04418	0.2
133.02855	19.1
134.03545	0.2
136.07573	0.2
137.05980	3.9
149.05977	0.8
150.03114	1.1
150.05481	0.3
151.03931	0.3
163.03894	0.6
164.07025	0.2
165.05461	2.2
177.05472	0.3
178.02614	11.3
180.07881	0.2
193.04962	100.0
194.05293	1.6
201.05467	0.3
268.97864	1.1
285.01038	1.2
303.01901	0.5
319.12738	0.2
332.05728	0.2
335.02698	0.2
337.13965	0.3
355.06403	0.9
355.10516	1.0
355.13913	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2636
Annotation	Methyl tumonoate A
Peak:m/z	Relative Intensity
55.05501	17.5
56.05033	6.1
60.04531	11.4
67.05501	25.4
69.07062	12.8
71.08636	12.7
79.05482	15.5
80.05010	8.9
81.07057	24.5
82.06581	5.9
83.04965	3.9
83.08614	8.4
85.24676	3.9
91.05383	3.9
91.05810	10.6
93.07037	33.2
94.06561	4.9
95.05023	5.3
95.08595	12.8
96.08125	4.3
97.10213	4.0
99.08093	7.2
105.07032	12.9
107.08584	15.1
109.10143	6.0
119.08604	8.3
129.07063	4.5
133.10159	5.5
135.11650	4.8
138.12764	7.3
147.11789	6.5
150.12788	7.0
154.12123	4.1
161.13263	6.9
177.12651	4.6
194.15691	3.8
199.27315	3.4
205.29935	3.4
259.20587	9.0
260.98837	3.6
274.21667	14.6
276.23160	34.3
277.21579	20.6
285.01120	4.1
292.22607	5.6
294.24240	100.0
295.25024	7.1
318.24265	4.8
336.25235	13.6
354.26389	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	354.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13894	6.2
57.03432	13.2
58.86923	6.0
69.03420	47.4
70.01566	25.4
73.02917	6.3
75.07120	6.4
81.03410	26.3
85.02899	100.0
87.00842	48.4
97.02891	42.6
98.20792	8.2
99.04463	14.7
104.53806	6.7
105.01863	82.9
109.02867	24.4
127.03902	71.4
131.30632	6.1
137.06006	8.2
145.04987	46.4
159.02826	16.1
231.05014	24.0
321.27692	6.5
322.71793	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	354.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.3
69.03410	1.2
69.07085	1.0
71.58240	1.0
71.58638	1.4
81.07008	1.2
85.02852	1.1
86.09701	1.2
91.05405	1.5
91.05875	1.4
93.06977	1.2
102.04625	1.9
103.05492	1.5
105.06993	1.2
107.08630	1.5
118.04108	1.5
119.04919	2.2
121.06476	1.3
129.61052	1.0
130.04134	2.4
131.04906	3.4
133.06465	1.5
135.04420	3.8
137.05960	4.3
145.02754	1.0
145.06482	1.8
147.04414	9.4
149.02287	2.0
149.05936	2.4
150.02644	1.9
160.05215	1.4
161.05965	3.7
162.06735	9.5
163.03897	9.0
163.07516	2.7
164.07001	2.5
175.03917	5.9
176.04695	2.1
177.05479	2.3
178.06255	8.8
189.05490	2.3
190.06230	23.9
191.03445	5.5
191.07036	2.1
193.08606	12.7
201.05505	3.6
206.05728	7.2
221.08084	100.0
222.08415	2.4
234.06805	1.5
245.95502	1.0
263.06870	1.0
305.08261	1.7
354.15195	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41789	4.4
51.43542	4.4
53.03946	8.1
55.05518	7.0
56.43330	4.2
57.03414	8.8
58.45781	4.9
69.03424	53.7
69.07069	8.4
69.72341	13.4
69.72755	17.9
70.06576	6.7
71.04972	12.8
71.08662	4.8
72.08140	7.8
79.05462	7.1
81.03407	30.6
83.06100	5.0
84.04507	6.2
85.02911	84.3
87.00829	44.6
87.04459	5.6
88.50191	4.7
90.43468	4.5
91.05801	14.7
93.07049	5.6
96.07363	4.8
97.02879	52.2
99.04443	19.2
100.11233	5.6
105.01849	63.4
105.07017	5.9
107.08606	4.9
109.02899	26.2
119.04902	6.6
127.03920	100.0
133.02811	8.1
133.06419	5.2
137.05954	9.6
145.04955	43.8
147.04381	11.8
159.02850	8.2
162.06763	5.2
163.03917	5.6
186.99692	4.9
190.06178	14.0
193.05084	5.8
201.03757	8.8
201.05449	8.2
203.05225	6.3
210.14983	5.3
221.08078	54.4
231.05005	41.1
249.06102	11.0
268.97745	7.4
285.00861	6.7
344.35168	5.3
354.16251	6.2
355.07242	7.8
355.17249	67.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.47893	3.2
52.26040	3.5
55.05505	17.3
57.03424	5.9
57.07050	8.6
65.03953	3.4
67.05503	99.7
68.55071	3.7
69.07066	18.8
71.08608	7.3
71.28293	8.1
71.81747	3.3
79.05486	62.2
81.03387	3.8
81.07053	100.0
83.08610	8.2
85.06526	5.0
87.99628	3.4
91.05470	34.6
93.07044	68.0
95.04951	8.4
95.08607	92.0
97.06516	8.3
97.10199	5.6
99.08107	7.9
99.17110	3.4
105.07034	24.8
107.08585	45.2
109.06508	6.5
109.10139	31.5
113.09705	4.5
113.98013	3.2
117.07008	11.0
119.08559	17.8
121.10138	40.2
123.11695	14.0
131.08629	22.7
133.10143	14.4
135.11668	30.6
137.13264	7.1
145.10136	19.9
147.11674	16.2
149.09668	5.2
149.13316	20.2
151.14806	4.6
159.11708	15.8
161.13249	13.5
163.14876	17.2
169.55280	3.5
173.13269	15.4
174.10851	3.2
177.16360	6.9
187.14803	11.3
226.80727	4.2
233.22610	6.9
243.21146	30.0
261.22150	67.0
279.23209	5.2
281.10635	4.8
290.76843	3.4
299.11273	3.8
335.26086	5.7
353.26230	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	353.2684
Annotation	Grandilobatin A
Peak:m/z	Relative Intensity
51.13216	5.4
54.05204	5.6
55.05515	21.8
57.07067	12.6
58.17600	5.1
67.05511	37.9
69.03459	8.6
69.07075	46.2
71.08638	48.6
79.05509	20.0
81.07056	61.3
83.08638	13.6
85.06519	7.3
91.05453	14.7
93.07069	33.8
93.07562	6.1
95.04994	13.8
95.08611	41.3
97.06573	9.9
99.08098	21.7
105.07043	23.0
107.08600	17.3
109.06525	39.6
109.10166	26.5
119.08594	19.3
121.10174	20.4
123.11685	8.0
131.08603	10.6
133.10103	14.5
135.11678	10.1
136.12708	6.6
139.11194	13.7
145.10139	12.7
147.11693	7.6
161.13297	12.3
163.11223	6.8
165.12767	94.2
175.14827	6.5
189.98633	5.7
193.05032	12.0
196.07982	6.5
209.19000	18.8
289.25241	39.3
310.61197	6.4
317.24774	71.1
324.17825	6.7
335.25824	100.0
353.22906	6.2
353.29489	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	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	15.6
57.03415	5.0
57.07082	3.9
67.05505	81.3
69.07063	12.4
70.84084	8.7
71.04993	3.5
79.05490	41.9
81.07056	87.0
83.08623	8.5
91.05473	25.5
93.07048	56.1
95.08610	73.1
97.10182	3.2
105.07016	17.4
105.08219	3.2
107.08594	38.9
109.10139	34.4
117.07022	7.4
119.08586	13.0
121.10147	38.4
123.11671	19.3
131.08572	21.1
133.10153	15.5
135.11705	33.3
137.13287	4.6
145.10159	12.2
147.11682	13.1
149.13255	19.9
151.14841	2.8
153.12772	3.4
159.11694	14.3
161.13258	12.5
163.14824	14.1
173.13271	15.7
177.16388	3.9
187.14830	12.1
212.99924	2.8
233.22620	3.4
243.21115	17.6
261.22128	100.0
279.23318	3.2
286.26498	3.3
335.25955	5.7
353.26709	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	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05499	13.7
58.31003	3.3
63.42045	3.9
65.03939	3.5
67.05502	92.4
69.07065	16.0
70.11741	18.0
75.34006	3.6
79.05508	36.0
81.07059	100.0
81.19235	3.5
83.08611	4.9
91.05473	14.1
93.07041	57.2
95.08604	72.6
95.85516	3.5
97.06513	3.9
97.10126	4.7
97.17069	3.6
105.07014	14.1
107.08573	38.3
109.10147	39.5
117.06979	7.9
119.08579	13.4
121.10152	28.8
123.11701	19.4
131.08582	23.0
133.10101	11.0
135.11674	22.9
137.13239	6.8
145.10127	11.6
147.11707	12.9
149.13268	20.2
159.11710	11.9
161.13239	7.1
163.14798	11.4
173.13246	12.8
187.14755	10.0
243.21037	15.0
261.22144	75.2
279.23218	8.6
335.25861	6.7
353.26779	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	353.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35896	2.2
55.05508	13.4
57.03435	5.2
57.07067	2.7
64.33935	2.3
67.05505	100.0
69.07063	11.0
70.72218	7.4
71.04976	2.6
79.05495	43.2
81.07054	91.1
83.04990	3.1
83.08627	7.1
85.06572	2.9
91.05470	21.3
93.07040	64.0
95.05004	3.4
95.08608	68.2
97.06519	3.1
97.10139	3.3
100.94099	2.4
105.07040	20.1
107.08591	35.1
109.10153	36.1
117.07010	8.3
119.08540	14.6
121.10146	34.8
123.08049	2.5
123.11704	20.3
131.08603	17.7
133.10115	12.3
135.11719	29.5
137.13261	7.2
143.67880	2.3
145.10164	15.7
147.11696	10.2
149.13252	25.5
150.45358	3.4
151.14813	2.7
159.11678	17.3
161.13277	8.8
163.14853	12.0
173.13281	16.7
177.16379	2.8
187.14868	8.6
188.80687	2.6
219.17488	2.6
233.22646	4.6
243.21129	22.3
261.22147	93.5
263.23587	3.0
279.23297	3.8
294.96124	3.5
335.25937	5.0
353.26727	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	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03948	2.7
55.05508	18.1
57.03439	3.6
57.07055	7.1
60.52230	2.6
65.03929	3.5
67.05504	100.0
69.07054	11.5
69.33305	33.4
71.08607	3.5
79.05491	54.1
81.07059	97.1
82.21906	2.9
83.08611	6.7
91.05482	25.2
93.04676	3.2
93.07044	76.6
95.04961	6.7
95.08058	4.4
95.08607	60.7
97.06558	6.3
99.08072	5.6
105.07023	27.7
107.08579	35.3
109.10152	28.7
113.09664	3.5
117.07015	9.7
119.08571	15.7
121.10152	32.3
123.11683	14.6
124.80221	3.0
131.08566	31.1
133.10117	11.2
135.11691	27.4
137.13188	6.9
145.10120	18.1
147.11703	10.4
149.13243	25.1
159.11684	18.7
161.13252	10.6
163.14836	21.1
173.13268	18.8
175.14862	4.3
177.16385	10.8
187.14822	12.3
201.16345	5.2
220.91507	2.8
243.21086	31.8
261.22128	83.3
262.22449	3.5
335.25793	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	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05509	16.8
55.43654	3.0
57.03428	6.1
57.07068	4.9
67.05503	100.0
69.07059	14.6
70.75782	10.8
76.30873	3.5
79.05488	43.5
81.07059	95.6
83.08618	12.2
85.06541	4.9
87.02077	3.0
91.05482	22.4
93.07043	51.7
95.04975	6.4
95.08606	84.8
99.08109	3.2
105.07030	17.3
107.08610	33.1
109.10167	40.1
117.07030	8.2
119.08591	11.8
121.10139	29.8
123.11691	22.3
127.41200	3.9
131.08543	25.6
133.10147	14.7
135.11656	29.4
137.13306	8.9
145.10132	11.4
147.11673	15.3
149.13301	16.8
159.11708	12.0
161.13304	6.4
163.14816	13.6
168.11020	3.2
173.13263	18.5
175.14879	6.3
177.16376	6.7
187.14835	10.2
233.22655	7.3
243.21043	17.9
245.95415	3.9
261.22141	95.5
279.23193	12.0
314.07745	3.0
335.25876	10.4
353.26880	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	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97746	1.8
53.03945	2.0
55.05521	12.6
57.03423	4.0
57.07074	4.5
61.14169	1.7
65.03918	2.4
67.05505	94.6
69.07058	12.7
69.70337	4.4
69.70753	8.7
71.04980	4.3
71.35232	1.6
79.05495	50.2
81.07059	92.0
83.08611	8.3
85.06556	2.1
91.05477	21.2
93.07043	62.4
95.04930	3.9
95.08606	76.1
97.06499	2.7
97.10146	4.5
98.21500	2.6
99.08109	1.9
105.07027	17.1
107.07878	2.1
107.08598	41.7
109.10158	41.1
111.08082	2.1
117.06989	10.6
118.60471	1.6
119.08583	14.0
121.10144	34.4
123.11716	20.4
131.08551	18.6
133.10144	12.2
135.11694	30.5
137.13240	5.6
142.13808	1.9
145.10100	16.9
147.11722	13.4
149.13263	25.6
158.49657	1.9
159.11697	16.8
161.13225	12.0
163.14828	10.8
173.13254	20.6
175.14803	4.4
177.16380	4.4
187.14825	12.3
201.16365	3.0
233.22571	5.3
243.21042	18.9
261.22144	100.0
262.22739	2.5
279.23239	6.5
324.71555	2.1
335.25903	3.4
351.49796	1.9
353.26773	20.4
370.70422	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.67901	3.3
55.05519	15.7
57.03440	5.0
57.07047	7.2
60.26725	2.7
64.53496	2.9
65.03909	3.0
65.08513	3.1
65.60223	2.9
67.05501	87.7
69.07069	13.0
71.05025	3.4
71.32485	6.0
71.91933	3.5
75.82821	3.0
79.05487	38.1
81.07052	100.0
83.08604	6.7
91.05476	22.6
93.07046	54.5
95.08607	72.6
97.06551	4.1
101.82355	3.1
105.07021	15.8
107.08591	30.9
109.10153	39.9
117.07022	9.9
119.08561	12.2
121.10139	28.0
123.11731	17.8
125.09580	4.4
131.08578	14.5
133.10135	9.9
135.11687	20.9
137.13246	10.0
145.10130	14.5
147.11707	10.2
149.13258	18.7
159.11742	16.9
161.13234	9.4
163.14842	12.4
173.13304	15.2
177.16396	4.0
182.59355	3.4
187.14833	11.3
233.22829	3.9
243.21077	18.3
245.66252	3.0
261.22128	72.4
279.23212	5.7
335.25821	7.6
353.26791	17.5
356.83499	3.3
363.19214	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03930	4.6
54.54370	2.7
55.01871	5.9
55.05515	45.2
55.62190	2.4
57.03433	17.5
57.07073	7.2
59.05028	2.9
65.03937	2.3
67.05507	85.4
69.03429	2.5
69.07072	53.3
69.54504	21.0
71.04986	6.5
71.08630	39.9
77.56997	3.1
79.05501	48.2
81.07057	100.0
83.04977	10.8
83.08626	25.6
85.06546	7.7
87.99262	2.3
91.05479	20.7
92.82753	2.4
93.07047	45.0
95.05003	5.3
95.08613	63.0
97.06523	11.9
97.10172	21.1
99.08092	32.5
105.07031	20.1
107.08599	41.4
109.06485	3.4
109.10157	44.8
111.08081	4.3
111.11732	5.0
117.07022	7.9
119.08604	10.1
121.10168	20.7
123.08049	3.3
123.11726	14.8
125.09614	16.4
127.33403	2.3
131.08588	12.2
133.10106	6.5
135.08044	4.5
135.11694	28.9
137.09644	2.9
137.13264	10.0
145.10130	8.2
147.11726	13.2
149.09563	2.6
149.13268	9.5
151.11195	2.5
151.14845	3.4
153.09138	2.7
153.12724	9.8
159.10272	2.5
159.11667	5.7
161.13275	6.2
163.11192	3.3
163.14839	9.2
165.12788	6.9
173.11763	6.8
173.13287	9.1
177.12793	3.0
177.16373	4.6
186.65639	2.5
187.14865	4.2
189.11237	8.4
191.17911	2.9
192.30135	2.4
209.15422	2.8
213.05202	2.5
233.22612	3.6
235.78200	2.9
243.21123	13.5
261.22159	35.1
279.23212	23.4
282.48233	2.4
287.08511	2.4
353.26797	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	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11684	3.3
55.05504	11.6
56.93876	2.4
57.03430	4.1
57.07076	6.8
64.02375	3.2
65.03920	5.2
67.05507	98.5
69.07069	11.4
71.08645	3.9
79.05493	55.5
81.07056	100.0
83.08615	8.1
85.06535	4.9
91.05486	28.5
93.07040	61.7
95.04928	4.0
95.08604	72.9
97.06516	3.7
97.10141	4.7
99.08102	3.6
105.07048	21.8
107.08582	41.6
109.06577	3.3
109.10162	33.2
117.07028	13.0
119.08577	16.5
121.10143	32.8
123.08130	3.7
123.11710	17.7
131.08574	19.5
133.10120	11.8
135.11684	31.2
137.13268	12.4
145.10127	19.8
147.11681	11.5
149.13289	21.2
151.14778	3.8
159.11717	9.1
161.13335	8.5
163.14828	22.1
173.13306	16.6
177.16301	5.2
178.26151	2.6
187.14787	16.7
216.60690	3.4
221.24442	3.6
229.26050	3.8
233.22717	7.5
243.21074	31.9
261.22156	70.7
297.48984	2.8
335.25812	9.2
353.26740	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	353.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
66.12868	0.6
71.32626	1.4
77.00904	0.8
80.75365	0.6
95.08556	0.7
102.10941	0.7
179.71228	0.6
215.11292	1.3
233.12396	1.2
241.12788	0.9
243.14467	1.9
253.12996	0.8
261.15396	0.7
271.13980	2.0
317.19910	0.9
335.20612	1.1
353.22943	100.0
354.23294	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
54.13353	6.4
55.05507	14.9
57.03435	8.9
64.50809	6.9
67.05506	100.0
69.07072	15.1
69.52697	47.7
69.53107	16.0
69.70506	6.8
78.67514	7.0
79.05502	40.1
81.07061	94.5
83.08627	8.0
85.54553	6.3
91.05486	26.6
93.07040	52.3
95.04987	7.6
95.08595	74.6
97.10175	8.1
101.53529	7.4
105.07031	19.1
107.08594	37.7
109.10148	44.8
117.07085	7.4
118.98615	7.3
119.08589	20.6
121.10162	27.5
123.11697	16.0
131.08598	14.0
133.10124	13.7
135.11707	22.0
145.10094	14.0
149.13286	18.1
159.11636	12.3
161.13249	15.6
163.14870	10.4
173.13257	15.4
205.50523	7.1
215.19821	8.0
215.97992	6.6
219.57863	6.9
243.21228	14.6
261.22183	80.0
291.16064	8.3
353.26865	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	353.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.6
56.96556	1.5
67.05481	4.2
69.03410	1.2
69.07061	1.5
70.09279	6.2
70.71305	1.1
77.00953	1.2
79.05472	3.4
81.07050	5.1
83.04945	1.3
91.05478	2.5
93.07036	3.7
95.04950	1.6
95.08605	2.6
105.07021	2.2
107.04960	1.6
107.08598	2.6
108.46827	1.3
109.10159	1.7
121.06501	1.9
123.04445	3.3
123.11734	1.6
133.10123	1.8
135.11696	1.4
135.86665	1.3
167.06967	1.9
173.06252	1.4
177.05511	1.6
177.12592	1.6
191.07002	1.6
195.09900	1.3
210.62247	1.2
243.14476	1.4
253.12715	1.5
289.08688	1.4
293.22876	2.3
321.11145	1.7
335.20609	3.6
353.22934	100.0
354.23337	3.1
371.22952	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	0.7
58.99846	0.6
70.05703	1.5
70.06130	1.6
71.22507	0.6
77.00909	1.6
79.05476	0.8
81.07041	0.7
95.01951	1.3
109.00290	0.5
215.11307	1.0
243.14500	1.7
253.12868	1.5
261.15533	0.9
271.14264	1.1
317.19730	0.9
335.20682	1.4
353.22971	100.0
354.23322	3.9
361.24780	0.6
371.22491	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79968	1.6
67.05498	2.6
69.07047	1.7
70.37620	4.6
70.38030	4.2
76.97693	1.7
77.83944	1.7
81.07063	2.9
91.05495	2.1
93.07066	2.2
123.04445	2.1
161.91345	1.6
175.54901	1.8
189.84671	1.8
335.21808	4.9
353.22992	100.0
354.23245	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	353.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	17.3
55.05510	22.0
59.05006	1.6
61.02921	1.2
65.03933	3.4
67.05506	1.7
69.03418	4.2
69.07059	1.5
69.95466	4.6
70.06589	1.8
71.04991	26.9
79.05488	2.6
81.07066	3.5
83.04991	1.1
84.08137	1.3
85.02930	1.6
86.09713	1.3
87.04462	2.3
91.05451	4.6
93.07037	3.0
95.04933	1.0
95.08607	3.3
97.02893	1.0
98.21423	1.6
103.05476	0.9
105.05511	3.2
105.07014	1.8
107.04937	1.2
107.08619	1.3
109.10164	1.2
115.03926	4.6
120.08128	2.5
121.02870	9.7
121.03662	1.2
121.08420	1.5
121.10149	1.2
121.99098	0.9
123.08104	1.1
129.07022	3.3
131.08568	3.0
133.04964	43.9
133.06476	1.9
133.10132	1.9
135.11655	1.4
137.09598	1.2
143.05023	1.2
145.02879	1.6
147.04443	1.3
147.08051	1.6
149.02342	100.0
150.02660	1.5
151.06004	2.7
151.07251	0.9
161.05968	5.7
164.01689	1.3
167.03403	1.9
167.07037	1.5
175.07549	21.5
177.05481	2.4
185.05989	1.6
191.03467	1.2
191.07077	2.2
192.10197	2.2
199.07570	1.1
203.07037	18.0
203.08765	1.8
221.08084	4.3
248.28896	1.0
261.09079	1.1
263.05402	2.7
266.15250	1.0
269.08566	0.9
289.08292	1.3
297.07584	1.5
321.11261	2.3
325.07010	6.0
353.06503	7.2
353.15982	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	17.3
55.05510	22.0
59.05006	1.6
61.02921	1.2
65.03933	3.4
67.05506	1.7
69.03418	4.2
69.07059	1.5
69.95466	4.6
70.06589	1.8
71.04991	26.9
79.05488	2.6
81.07066	3.5
83.04991	1.1
84.08137	1.3
85.02930	1.6
86.09713	1.3
87.04462	2.3
91.05451	4.6
93.07037	3.0
95.04933	1.0
95.08607	3.3
97.02893	1.0
98.21423	1.6
103.05476	0.9
105.05511	3.2
105.07014	1.8
107.04937	1.2
107.08619	1.3
109.10164	1.2
115.03926	4.6
120.08128	2.5
121.02870	9.7
121.03662	1.2
121.08420	1.5
121.10149	1.2
121.99098	0.9
123.08104	1.1
129.07022	3.3
131.08568	3.0
133.04964	43.9
133.06476	1.9
133.10132	1.9
135.11655	1.4
137.09598	1.2
143.05023	1.2
145.02879	1.6
147.04443	1.3
147.08051	1.6
149.02342	100.0
150.02660	1.5
151.06004	2.7
151.07251	0.9
161.05968	5.7
164.01689	1.3
167.03403	1.9
167.07037	1.5
175.07549	21.5
177.05481	2.4
185.05989	1.6
191.03467	1.2
191.07077	2.2
192.10197	2.2
199.07570	1.1
203.07037	18.0
203.08765	1.8
221.08084	4.3
248.28896	1.0
261.09079	1.1
263.05402	2.7
266.15250	1.0
269.08566	0.9
289.08292	1.3
297.07584	1.5
321.11261	2.3
325.07010	6.0
353.06503	7.2
353.15982	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87989	0.9
56.96563	6.8
62.54556	0.8
69.03401	1.4
70.40618	0.8
70.45277	0.8
70.99878	0.8
71.56844	1.7
74.94785	0.8
77.00900	2.8
82.06584	7.7
84.08159	1.1
85.02899	1.8
94.61444	1.1
98.97587	9.5
100.07615	11.7
101.00859	5.0
109.02943	1.0
116.98620	4.7
119.01929	13.1
127.02412	4.2
127.03900	1.1
128.98611	1.3
131.00182	3.0
131.01927	8.3
133.03435	2.5
133.50847	1.3
134.99684	1.6
137.02969	1.7
139.02432	1.3
143.00157	1.8
143.01926	7.6
144.73502	1.1
145.03464	30.6
145.92242	0.9
146.03601	2.4
146.08144	10.1
146.99663	1.0
149.01183	5.5
149.03030	1.4
155.02000	6.4
157.03476	14.1
158.01537	1.4
161.01245	3.1
161.02953	15.7
163.04558	5.5
166.51381	1.3
167.02219	3.6
169.01875	1.6
169.51956	1.7
173.01500	1.6
173.02969	14.1
173.99504	1.1
175.03102	1.1
175.04485	5.5
177.00740	1.5
179.00752	1.5
181.51875	1.9
185.02921	4.4
187.04509	1.4
189.00851	1.1
190.02357	2.0
190.52434	2.1
191.02379	2.0
191.03998	16.3
197.02913	1.0
199.04611	1.1
200.02802	1.3
202.99818	1.6
203.04010	12.5
205.53085	1.2
206.02876	1.0
209.03296	1.8
210.00572	1.6
215.03993	3.6
219.01817	2.1
220.05331	1.1
221.01730	2.3
221.05086	17.1
224.00240	1.4
226.03355	1.1
227.03825	1.8
233.05093	17.6
234.05344	1.2
237.02876	1.7
239.00856	1.3
239.06100	25.5
245.01022	1.6
245.05061	5.7
247.06688	8.2
249.01266	2.0
251.06194	7.1
254.01582	1.0
263.06104	9.9
265.07715	10.2
266.01459	1.5
269.05386	2.8
275.01907	2.6
275.06055	8.3
276.02042	1.5
277.07645	11.6
278.01254	1.9
287.02051	3.1
287.51971	2.6
291.05643	1.8
293.07324	24.0
296.02487	2.2
305.07196	2.4
310.98624	4.5
311.08096	5.2
328.99652	1.8
330.07111	1.3
335.08221	13.3
348.08270	5.5
353.08441	100.0
354.08746	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	353.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87989	0.9
56.96563	6.8
62.54556	0.8
69.03401	1.4
70.40618	0.8
70.45277	0.8
70.99878	0.8
71.56844	1.7
74.94785	0.8
77.00900	2.8
82.06584	7.7
84.08159	1.1
85.02899	1.8
94.61444	1.1
98.97587	9.5
100.07615	11.7
101.00859	5.0
109.02943	1.0
116.98620	4.7
119.01929	13.1
127.02412	4.2
127.03900	1.1
128.98611	1.3
131.00182	3.0
131.01927	8.3
133.03435	2.5
133.50847	1.3
134.99684	1.6
137.02969	1.7
139.02432	1.3
143.00157	1.8
143.01926	7.6
144.73502	1.1
145.03464	30.6
145.92242	0.9
146.03601	2.4
146.08144	10.1
146.99663	1.0
149.01183	5.5
149.03030	1.4
155.02000	6.4
157.03476	14.1
158.01537	1.4
161.01245	3.1
161.02953	15.7
163.04558	5.5
166.51381	1.3
167.02219	3.6
169.01875	1.6
169.51956	1.7
173.01500	1.6
173.02969	14.1
173.99504	1.1
175.03102	1.1
175.04485	5.5
177.00740	1.5
179.00752	1.5
181.51875	1.9
185.02921	4.4
187.04509	1.4
189.00851	1.1
190.02357	2.0
190.52434	2.1
191.02379	2.0
191.03998	16.3
197.02913	1.0
199.04611	1.1
200.02802	1.3
202.99818	1.6
203.04010	12.5
205.53085	1.2
206.02876	1.0
209.03296	1.8
210.00572	1.6
215.03993	3.6
219.01817	2.1
220.05331	1.1
221.01730	2.3
221.05086	17.1
224.00240	1.4
226.03355	1.1
227.03825	1.8
233.05093	17.6
234.05344	1.2
237.02876	1.7
239.00856	1.3
239.06100	25.5
245.01022	1.6
245.05061	5.7
247.06688	8.2
249.01266	2.0
251.06194	7.1
254.01582	1.0
263.06104	9.9
265.07715	10.2
266.01459	1.5
269.05386	2.8
275.01907	2.6
275.06055	8.3
276.02042	1.5
277.07645	11.6
278.01254	1.9
287.02051	3.1
287.51971	2.6
291.05643	1.8
293.07324	24.0
296.02487	2.2
305.07196	2.4
310.98624	4.5
311.08096	5.2
328.99652	1.8
330.07111	1.3
335.08221	13.3
348.08270	5.5
353.08441	100.0
354.08746	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	352.2846
Annotation	Melophlin E
Peak:m/z	Relative Intensity
55.05509	6.1
55.47229	2.1
57.07071	3.2
59.50231	2.1
62.67136	1.8
67.05507	28.7
69.07059	8.3
71.59605	3.1
79.05495	9.6
79.32844	1.9
81.07063	29.8
83.08626	4.2
90.05555	100.0
91.05467	7.4
93.07042	7.0
95.08610	24.2
97.10194	3.0
105.07005	4.1
107.08593	7.3
109.10172	9.6
119.08611	4.7
121.10148	6.0
123.11720	5.7
124.19572	2.2
133.10124	4.9
135.11717	2.0
145.21971	1.8
147.11720	2.4
149.13211	3.2
163.14841	2.4
175.14801	4.4
203.99446	2.1
219.46582	2.1
245.22580	5.6
261.22079	3.4
263.23700	5.3
306.27802	2.8
334.34793	2.2
352.28363	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	353.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69533	1.5
55.01867	2.1
61.02915	2.9
68.99771	5.8
69.55515	10.6
75.00822	1.1
75.98161	1.3
76.05634	1.4
76.12281	1.4
85.02889	1.3
87.00815	5.3
91.05479	3.8
96.02152	1.5
97.02894	2.2
105.07069	2.1
111.04445	21.6
115.05459	13.5
116.34353	1.1
117.03381	1.9
119.04941	7.5
120.08102	1.4
129.01860	6.7
129.02673	1.2
131.04926	4.2
133.06506	2.5
137.05942	2.2
139.03909	23.7
140.04689	2.4
143.04924	7.3
147.02899	2.2
147.04401	15.5
149.05963	3.1
151.07570	2.0
153.05472	2.4
159.04538	1.6
160.05148	4.0
161.05988	9.1
162.03156	9.7
163.03860	3.3
165.05516	2.1
167.03438	8.8
171.04382	14.4
174.09358	1.3
175.03957	3.0
175.07533	3.9
177.05475	51.4
178.05922	1.8
179.03322	1.6
179.06993	7.0
188.04620	3.2
189.05469	7.0
191.07045	2.6
199.03931	10.1
200.04527	1.3
203.07043	31.8
205.04997	9.4
207.06532	7.9
217.04976	8.9
221.08041	3.2
231.06509	28.9
244.17842	1.3
249.07593	100.0
250.07809	3.8
267.08554	2.4
275.05618	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	20.3
56.05030	19.8
57.03431	4.7
57.30368	3.4
58.06594	23.3
60.04530	17.5
60.57150	3.4
67.05507	54.8
69.07066	20.9
70.04066	9.9
70.06599	3.8
71.08621	13.0
71.58926	5.4
71.59342	3.7
74.06080	15.2
77.41617	3.2
79.05494	37.2
80.05003	14.0
81.03424	9.8
81.07059	41.9
82.07402	5.0
83.08613	9.8
84.08112	3.3
91.05475	30.6
92.05811	4.9
92.07145	20.9
93.07040	34.9
94.06561	12.0
94.07390	6.7
95.04976	10.4
95.08595	32.2
96.09005	3.9
97.06541	6.7
97.10123	5.7
99.08081	8.7
100.07612	11.9
100.08383	6.2
105.07019	30.7
106.07403	3.9
107.08615	24.2
108.08147	9.1
109.06569	3.8
109.10173	29.7
111.11687	4.1
117.07033	6.8
119.08565	21.4
120.08908	5.3
121.06456	4.0
121.10162	16.3
123.08051	7.4
129.06940	4.4
131.08586	10.6
133.10139	19.4
135.11705	8.5
136.12016	3.7
137.09639	19.0
145.10138	10.0
147.11667	9.9
150.13577	4.0
151.11223	5.0
154.12267	100.0
154.42935	3.3
159.11819	5.0
161.13242	4.8
163.11183	4.0
172.13333	62.1
173.11766	8.6
173.13174	6.3
180.14655	5.8
196.13347	29.2
206.15337	4.8
214.14444	5.1
222.14873	6.7
224.16411	4.0
249.33745	3.9
257.19040	4.8
260.20938	5.3
274.21707	6.6
275.19943	24.8
278.22064	8.9
292.22681	32.3
306.24353	5.5
320.09894	4.2
334.23615	8.5
334.27295	7.2
352.18671	8.5
352.24973	46.8
370.19720	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	352.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.1
55.01860	2.9
55.05511	13.9
56.05029	5.5
57.03416	3.9
57.07080	2.1
58.06594	3.7
60.04525	17.0
67.05170	3.0
67.05506	39.1
68.05028	2.5
69.07076	35.6
70.06614	2.8
70.84360	5.9
71.04987	2.9
71.08636	2.7
73.83042	1.8
77.71743	1.9
79.05499	27.1
80.05029	29.3
81.03428	2.6
81.07066	31.4
82.06583	5.0
83.08613	8.4
91.05490	24.7
91.74866	2.0
93.07056	18.2
94.06574	15.9
94.07408	2.6
95.04966	8.9
95.07339	3.4
95.08615	18.3
96.08100	2.4
97.10165	5.8
105.07030	28.7
106.06561	7.3
107.04976	2.5
107.07404	2.4
107.08588	25.0
108.08116	8.3
109.06529	4.1
109.08893	2.1
109.10152	9.3
117.07025	6.4
119.08592	16.8
120.08132	4.7
121.10144	8.5
122.09684	3.4
125.09653	4.2
131.08549	9.2
133.10127	17.7
134.09636	3.1
135.11665	4.0
136.11214	3.6
137.09634	4.8
145.10114	8.5
147.11688	8.5
148.11211	4.1
149.09663	3.6
151.11189	2.6
154.12257	11.9
155.08490	2.4
157.10068	3.5
159.11641	8.2
161.13264	4.8
163.11232	4.4
171.11688	2.5
172.13339	4.3
173.11839	2.1
173.13234	4.3
176.14412	3.3
177.12753	8.9
179.14334	3.3
183.11829	2.3
189.11214	2.9
189.12752	2.2
192.13742	1.9
194.15372	2.1
196.13344	3.6
204.13832	24.6
206.15399	4.3
210.14999	4.4
222.14902	29.4
223.15654	5.0
224.16393	5.5
236.16417	2.3
247.20679	2.1
257.19016	12.4
272.20166	3.2
274.21747	19.8
275.20044	37.7
290.21048	4.5
292.22726	100.0
293.23529	2.5
316.22629	3.9
334.23798	12.8
352.24881	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.16
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01205	1.8
56.05035	2.5
58.66682	1.7
58.84138	2.1
67.05501	19.4
69.03423	3.1
69.07053	2.3
71.04977	5.6
71.57901	3.5
85.02901	7.9
85.06541	29.0
91.05498	3.8
95.04977	39.3
97.02913	1.8
103.98470	2.0
107.04941	3.2
113.06007	4.6
120.08126	2.2
127.07541	19.0
141.05472	29.2
155.07027	100.0
159.06540	3.0
162.67873	1.9
173.08102	31.8
370.75739	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
55.01864	3.3
55.05508	15.3
56.05030	6.2
57.03425	3.6
58.06571	3.2
60.04529	13.4
67.05507	40.0
69.07072	31.1
70.06583	2.8
70.93159	4.6
71.04973	3.7
79.05495	32.8
80.05014	39.4
80.05793	2.7
81.07058	29.7
81.78390	2.6
82.06605	2.7
83.08612	8.4
84.08142	5.3
91.05477	29.4
93.07040	20.1
94.06573	21.2
95.04967	7.6
95.07338	2.8
95.08607	27.7
97.06525	4.8
97.10175	5.1
99.08091	3.7
105.07030	27.4
106.06538	7.0
107.08585	26.2
108.08122	16.2
108.08801	2.7
109.06505	3.9
109.10151	11.8
114.48344	2.3
117.07023	7.4
119.08580	22.2
120.08107	6.5
120.08896	3.0
121.10159	10.8
125.09609	5.5
131.08562	9.0
133.10162	16.2
135.11693	6.1
136.11208	4.4
145.10094	10.2
147.11670	11.9
148.11072	2.9
149.09630	4.1
154.12256	6.7
157.10074	2.9
159.11687	6.0
161.13318	5.2
172.13313	5.2
176.14220	2.8
177.12753	5.3
180.13977	2.9
181.00343	2.2
184.01997	2.2
204.13847	25.3
206.15384	9.0
210.14908	3.7
222.14900	31.1
222.66907	2.4
223.15709	3.6
224.16454	7.9
236.16380	6.5
257.19028	11.5
260.20932	7.4
272.19998	3.8
274.21634	19.4
275.20056	38.0
276.20316	3.7
290.21204	8.4
292.22714	100.0
293.20898	3.6
306.24231	9.9
316.22662	3.7
334.23743	13.4
352.21222	3.9
352.24979	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	352.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.7
54.70596	4.1
55.01866	10.0
57.03428	3.6
61.02911	6.3
69.03430	40.9
69.07065	75.5
70.06615	4.4
70.14079	14.2
71.04966	6.0
73.02896	9.0
79.05487	4.5
81.03403	22.8
81.07034	7.2
85.02900	100.0
86.09707	6.5
87.00822	43.9
89.09126	3.4
91.05441	5.2
93.07021	5.0
97.02893	54.1
99.04440	14.9
105.01863	79.0
107.04977	6.5
109.02878	19.0
111.08064	4.4
123.02943	3.7
127.03906	83.4
132.28627	3.1
145.04967	52.5
146.06017	6.4
149.05981	3.6
159.02870	16.1
195.10231	5.9
213.03885	4.2
231.05045	22.3
249.06026	8.1
273.24036	3.4
325.07272	5.4
352.17337	8.0
353.06653	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	352.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58334	0.6
67.04241	1.1
69.07076	0.7
69.99020	1.1
69.99428	2.4
70.06583	3.0
79.05496	3.2
80.05005	1.1
82.06580	4.6
91.05432	0.8
93.07047	0.9
94.06564	5.3
95.04979	0.6
98.06052	25.2
100.07620	0.7
101.79173	0.6
103.05463	8.8
107.04941	3.7
116.07092	6.4
121.06535	0.6
126.05523	1.6
131.04922	3.4
140.07082	1.7
144.06557	100.0
145.06868	1.1
147.04388	0.7
158.08134	8.8
204.08659	6.8
254.73509	0.7
274.29050	0.7
289.25525	0.6
306.13391	7.9
352.13892	27.7
353.17480	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35629	0.3
56.05026	0.3
57.03408	0.4
60.04512	0.3
62.94413	0.4
67.04252	1.7
69.03427	0.4
69.07078	0.4
70.06590	2.1
71.25327	0.7
79.05500	2.6
80.05003	0.8
82.06577	4.9
84.04462	0.4
85.02912	0.4
86.09663	0.4
88.07635	0.4
94.06015	0.5
94.06567	5.4
95.04980	0.5
96.08132	0.6
98.06052	24.6
103.05460	9.5
105.07016	0.4
107.04954	3.2
116.06343	0.3
116.07092	6.4
121.10088	0.3
126.05511	1.8
130.08722	0.3
130.10112	0.4
131.04933	3.2
135.11696	0.4
140.07062	1.5
142.08511	0.3
144.06552	100.0
145.06848	0.7
147.04358	0.4
149.05960	0.6
158.08113	9.5
163.96323	0.4
168.06551	0.8
177.05281	0.5
186.07661	0.4
201.10243	0.5
204.08664	5.4
306.13394	7.3
352.13858	22.8
353.13629	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.5
55.01865	4.3
55.05270	3.0
55.05510	36.5
57.03439	46.8
57.07064	4.0
65.03935	3.3
65.06747	1.8
67.05505	71.9
69.07068	24.8
70.20567	5.4
71.04984	2.6
72.08154	17.8
79.05492	73.2
81.07057	86.9
83.04981	3.8
83.08609	23.6
85.06532	7.3
91.05479	61.2
93.07044	100.0
95.04973	8.3
95.08606	66.8
97.06535	7.3
97.10165	5.2
99.08068	5.6
105.07023	53.3
107.08591	60.2
109.06506	5.5
109.10155	26.1
111.08060	6.8
113.09601	1.8
115.05489	1.8
117.07019	13.4
119.08581	45.0
121.10142	47.7
121.11028	2.3
123.08035	4.3
123.11731	7.3
125.09620	2.7
128.06158	1.7
129.06996	5.2
131.08565	20.9
133.10127	43.2
135.10684	2.7
135.11693	43.5
137.09573	4.7
139.11143	3.0
143.08546	6.9
145.10127	20.2
147.11681	40.1
149.09628	3.5
149.13246	27.2
151.11186	3.7
157.10112	6.4
159.11681	18.5
161.13260	20.0
163.11183	3.8
163.14847	7.6
165.12741	3.5
171.11713	10.5
173.13228	9.3
175.11145	1.8
175.14810	9.6
177.12758	4.1
185.13289	11.9
187.14838	13.3
189.12714	2.6
193.12239	2.0
199.14873	4.9
203.17993	1.9
205.15916	4.5
209.74913	1.8
213.16360	3.9
217.15875	2.6
221.19011	3.6
231.21118	7.4
241.19443	17.4
259.20560	62.0
277.21582	21.6
288.39114	1.8
333.24152	5.6
334.31061	10.5
351.25278	55.5
351.33630	8.4
352.25391	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32424	3.3
53.03957	5.3
54.21215	3.6
55.01880	4.2
55.05514	20.8
56.96550	12.2
57.03429	10.0
67.05502	58.7
69.07063	28.5
69.86716	19.6
71.04962	4.6
77.03893	3.8
79.05495	76.5
81.07061	62.0
83.08649	7.7
86.12714	4.5
88.14765	3.9
91.05485	53.7
93.07044	100.0
95.04971	12.8
95.08603	47.2
96.77381	3.9
97.06506	5.4
105.07027	65.7
107.08601	66.9
109.06478	5.1
109.10158	16.9
117.07025	19.7
119.08590	65.3
121.10168	42.6
123.11739	5.6
129.07005	5.9
131.08546	19.3
133.10136	46.1
135.08138	4.0
135.11685	43.0
137.09567	4.1
143.08592	7.4
145.10091	28.4
147.11687	51.6
149.09633	4.9
149.13261	33.4
157.10162	11.1
159.11694	25.9
161.13263	40.2
163.11070	5.6
163.14833	8.9
165.12677	6.6
171.11757	12.8
173.13248	8.8
175.14833	15.0
185.13228	15.3
195.94925	4.0
199.14845	9.0
200.05476	4.3
213.07974	7.3
213.16284	8.9
217.07532	8.0
229.07486	19.9
231.09000	12.5
241.19508	33.3
247.08556	18.4
259.20590	96.6
277.21558	16.5
309.22488	4.2
333.24481	6.1
351.18378	10.5
351.25391	54.2
369.19446	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89384	4.3
54.11531	3.7
55.01854	5.8
55.05503	27.9
57.03437	23.7
57.07067	9.4
61.02920	5.6
61.35733	4.5
65.88718	4.2
67.05502	84.5
67.78383	4.1
69.07069	33.1
71.04969	5.1
71.08274	7.1
71.08633	67.4
72.08147	5.1
79.05491	68.8
81.03410	5.9
81.07058	92.1
83.04977	15.0
83.08619	21.0
91.05478	51.6
93.07050	79.1
95.04968	18.5
95.08604	54.1
97.06529	11.2
98.27916	4.5
99.08094	38.4
105.07043	40.5
107.04941	9.6
107.08592	42.3
109.06521	8.9
109.10144	28.2
111.08128	4.5
117.07024	9.4
119.08587	33.0
121.10126	45.2
125.09622	5.4
131.00040	4.2
131.08557	15.5
133.10120	29.9
135.11684	47.3
141.09164	5.5
143.08562	5.2
145.10086	12.7
147.11676	21.8
149.13260	21.2
150.73923	4.9
151.04562	6.7
151.11189	22.3
159.11685	8.3
161.13293	17.6
163.11188	9.2
173.13297	6.8
175.08553	4.6
175.14780	6.3
177.12802	5.9
179.14302	100.0
185.13309	5.1
199.14821	6.2
228.80501	5.1
229.36734	4.2
231.25966	5.1
241.19559	8.3
259.20547	31.4
277.21680	38.9
321.22525	5.1
351.25278	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.9
55.05509	25.0
56.96553	6.6
57.03416	9.6
57.07054	5.3
61.02923	7.9
67.05506	67.0
69.07077	18.5
71.32098	9.1
79.05492	65.2
79.88904	4.1
81.03455	6.1
81.07058	61.8
83.04959	5.2
83.08614	9.7
85.02898	4.8
91.03946	4.3
91.05478	58.8
91.45766	4.5
93.07043	82.7
95.04954	14.6
95.08607	45.1
97.02914	7.2
99.08124	4.3
105.07018	76.7
107.08589	47.3
109.06521	5.6
109.10154	21.9
117.07002	15.0
119.08580	61.8
121.10155	39.1
123.11719	4.1
129.06995	12.7
131.08585	23.3
132.11646	3.8
133.10132	49.7
134.03609	5.6
135.11702	37.3
137.13164	3.9
143.08542	9.5
145.10112	30.4
147.11703	50.8
149.13216	18.6
151.11130	4.4
157.10135	11.1
159.11661	23.6
161.13283	38.1
163.14818	6.6
171.11755	12.1
173.13252	9.1
175.14832	14.4
179.14345	6.5
185.13277	12.8
187.14880	6.1
199.14854	7.6
231.21075	9.3
236.47217	4.1
241.19533	34.6
243.59152	4.1
259.20554	100.0
269.10504	4.6
277.21646	10.3
351.18332	4.4
351.25333	47.8
369.19296	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.7
55.01871	5.8
55.05517	31.0
57.03431	18.3
57.07057	12.7
58.24291	3.2
67.05171	5.7
67.05501	72.2
69.07065	28.5
70.04411	7.8
70.04820	10.1
71.04993	4.4
71.08629	57.4
79.05063	4.8
79.05492	60.4
81.03416	10.6
81.07058	69.4
83.04974	13.5
83.08614	13.4
85.06530	10.1
87.36573	3.9
91.05477	52.6
93.07046	66.2
95.03713	3.6
95.04958	22.4
95.08609	53.1
97.06552	16.5
97.10176	5.2
99.08094	43.6
105.07034	31.7
107.04967	11.2
107.08586	43.1
108.08132	5.0
109.06510	13.2
109.10184	20.4
113.09650	4.2
117.07009	9.4
119.08595	26.1
121.06441	4.7
121.10126	24.4
123.08049	4.8
123.11747	4.4
129.07027	6.0
131.08565	9.7
133.10158	24.3
135.08067	4.9
135.11667	41.8
137.05969	7.3
137.09625	6.0
141.09146	4.9
145.10089	10.0
147.11707	12.1
149.13298	13.2
151.07657	3.5
151.11115	20.3
159.11679	8.5
161.13260	15.7
163.11177	8.3
165.12738	21.6
167.10767	4.0
171.11720	6.1
177.12794	4.4
179.14291	91.3
186.90355	3.6
189.12802	4.0
195.13890	4.2
221.15335	6.1
235.16972	5.2
241.19437	5.7
259.20605	9.3
277.21597	34.8
277.60211	4.2
306.24225	5.5
333.24277	23.5
351.25311	100.0
352.25003	11.1
363.23752	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	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82116	3.0
55.05502	18.8
57.03430	6.9
57.07078	5.1
65.40954	3.5
67.05155	2.5
67.05499	57.6
69.07056	14.8
70.75729	5.5
71.08631	4.4
71.61442	3.1
77.30260	3.1
79.05494	67.9
81.07049	56.4
83.04997	6.3
83.08618	6.7
91.05476	69.8
93.07040	96.2
93.53321	3.9
95.04940	8.4
95.08601	38.5
99.08113	7.6
103.05486	3.6
105.07027	73.3
107.08582	52.9
109.10150	14.2
117.07005	16.4
119.08572	71.4
121.10138	43.8
123.11659	4.7
129.06981	12.4
131.08568	26.0
133.10136	58.3
135.11678	32.8
143.08560	11.3
145.10107	26.0
147.11685	62.3
149.09593	4.1
149.13217	17.9
151.11209	3.3
157.10120	17.6
159.11687	19.2
161.13257	52.7
163.14845	7.7
171.11731	15.7
173.13290	12.7
175.14821	20.1
184.99899	3.0
185.13307	15.2
189.12794	5.6
199.14806	7.8
201.16202	3.3
213.16473	3.9
217.19443	4.3
231.21092	11.7
241.19438	33.9
245.32809	4.8
259.20569	100.0
260.20816	5.3
277.21741	5.0
315.48260	3.3
351.25247	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81918	2.9
53.03944	4.8
55.05504	23.1
57.03436	7.4
58.58583	2.9
67.05507	57.1
69.07060	13.6
69.44933	18.7
69.45343	11.8
73.99672	3.2
79.05489	77.2
81.07054	61.6
83.08624	5.6
84.44447	4.1
91.05484	65.4
93.07043	100.0
95.04954	10.3
95.08599	45.9
99.08090	4.8
105.07027	55.5
107.08594	59.4
109.10132	18.2
111.93776	3.9
112.84016	3.3
117.07008	13.5
119.08578	60.0
121.10137	41.5
123.11660	6.4
129.06995	10.1
131.08560	24.6
131.09372	3.7
133.10130	51.1
135.08090	5.7
135.11681	47.6
143.08568	7.5
145.10179	17.1
147.11684	51.8
149.13297	26.7
157.10149	6.6
159.11713	23.0
161.13254	36.8
163.14885	9.8
171.11745	15.0
173.13271	11.2
175.14825	20.9
185.13286	10.1
189.12650	4.5
199.14854	8.7
213.16495	5.1
216.32043	3.4
217.19606	5.6
231.17490	4.7
231.21016	7.6
241.19478	35.1
259.20566	93.2
260.21024	4.0
263.24533	3.8
273.07938	3.8
277.21539	14.6
333.24277	8.6
351.25238	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	28.0
57.03432	6.0
57.07087	5.3
67.05179	4.3
67.05507	55.7
68.43897	2.9
69.07058	21.2
69.25078	17.7
69.25507	19.9
71.04993	4.0
71.08604	6.7
79.05487	76.2
81.07056	61.3
83.04964	4.4
83.08642	7.1
83.34608	3.0
85.06516	5.8
91.04969	5.9
91.05483	70.1
93.07041	92.9
95.04947	8.4
95.08601	46.1
97.06557	3.8
98.10575	3.1
99.08085	8.7
105.06387	6.3
105.07029	79.3
107.08591	45.6
107.38065	3.3
108.79350	3.1
109.06508	4.3
109.10136	12.1
117.07027	16.8
119.08575	66.0
121.10137	38.1
122.86723	3.3
123.11707	4.8
123.19525	3.5
129.06967	12.6
131.08557	28.9
133.10123	57.9
135.11682	33.5
143.08539	12.4
145.10126	32.7
147.11703	54.2
149.13243	28.3
150.34975	3.5
151.11169	3.7
157.10127	10.4
159.11725	27.2
161.13272	50.0
163.14838	9.1
169.10204	4.1
171.11694	23.3
173.13268	17.4
175.14844	22.9
177.12732	6.5
185.13261	17.8
187.14835	6.2
189.16434	3.9
199.14816	11.3
203.14235	4.0
208.12819	3.2
213.16458	4.7
231.21036	14.1
241.19524	45.6
242.19756	4.2
259.20575	100.0
277.21643	6.8
333.23868	4.0
351.21292	16.4
351.25278	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	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21968	2.3
53.03933	3.8
54.05916	2.7
55.01855	4.7
55.05510	23.5
57.02605	2.4
57.03424	9.4
57.07053	3.7
65.03903	3.3
65.16333	2.6
67.05504	75.3
69.07071	19.4
69.30366	30.7
71.04990	3.4
71.08627	18.4
79.05493	73.5
81.07060	73.9
83.04980	6.1
83.08595	9.9
85.06548	4.1
91.04905	3.8
91.05478	66.0
93.07043	100.0
95.04967	8.6
95.08610	45.7
97.06528	5.3
97.10165	5.8
99.08092	17.4
105.07027	58.1
107.08589	52.7
109.06509	7.3
109.10155	19.0
113.09579	4.1
117.06992	10.4
119.08587	58.9
120.32093	2.3
121.10147	45.1
123.08105	3.2
123.11689	4.4
129.07031	7.7
131.08580	20.7
133.10143	49.8
135.11687	46.8
137.05974	14.3
143.08559	13.2
145.10158	21.0
147.11693	51.8
149.09531	5.0
149.13246	29.4
151.11151	7.1
157.10127	8.6
159.11711	19.0
161.09663	4.7
161.13261	36.6
163.11174	8.8
163.14819	8.9
169.08640	2.7
171.11687	15.2
173.13237	12.8
175.14838	22.2
177.12682	4.4
179.14276	6.0
185.13251	9.7
187.14844	3.5
189.12720	7.0
199.14948	5.1
203.14282	3.6
213.16455	7.0
217.19601	3.3
221.15434	3.8
226.20171	2.6
231.10767	8.1
231.17444	6.9
231.21057	11.4
241.19508	33.0
259.20581	81.2
269.12433	3.4
277.18454	3.0
277.21579	20.9
333.20343	3.8
333.23999	5.4
351.21262	59.1
351.25311	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52778	1.4
53.03943	3.2
54.80857	1.5
55.01863	5.0
55.05511	21.2
56.96545	2.3
57.03440	20.0
57.07076	5.4
58.06605	12.0
60.04525	3.9
63.72026	1.7
65.03959	2.3
67.05504	58.9
69.07069	23.3
69.94469	7.4
71.05003	2.4
71.08632	57.8
79.05497	60.3
81.03432	9.3
81.07056	67.6
83.04563	1.5
83.04978	12.1
83.08617	13.1
85.06522	3.6
89.52762	1.6
91.05482	43.0
93.07040	70.5
95.04967	13.4
95.08601	45.2
97.06519	10.3
97.10172	5.2
99.08092	36.5
100.07639	4.8
105.07019	33.0
105.07675	2.2
107.04953	7.1
107.08596	31.1
109.06522	6.5
109.10152	19.0
111.08092	4.6
113.09688	4.2
117.06989	8.1
119.08570	25.3
121.06510	1.7
121.10140	31.4
123.08072	3.7
123.11683	2.8
125.09610	2.2
127.11175	2.3
129.07037	3.1
131.08609	10.3
133.10132	21.2
135.11681	35.5
136.74641	1.8
137.09615	5.6
141.09146	3.6
143.08595	4.1
145.10114	7.6
147.11681	11.6
149.13274	12.9
151.11189	20.8
153.12759	2.3
154.12263	3.0
157.10143	2.0
159.11742	8.7
161.13274	14.8
163.11122	8.5
163.14700	1.8
165.12827	4.2
167.10611	2.4
171.11723	4.0
173.11757	1.7
173.13287	3.2
175.14807	3.4
177.12773	2.1
179.14305	100.0
185.13245	3.5
187.14783	1.8
189.12796	2.6
221.15387	3.6
231.20938	1.8
235.16972	3.3
241.19452	2.2
257.18976	2.3
259.20587	7.7
275.20206	3.4
277.21616	31.6
301.00449	2.1
325.65646	1.9
351.17838	1.9
351.25348	22.8
352.25174	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	351.243
Annotation	Mefentanyl
Peak:m/z	Relative Intensity
53.03929	1.4
55.05502	2.1
56.96555	0.5
57.03421	0.7
57.07064	0.6
57.57238	0.4
58.06605	0.5
65.03943	0.4
67.05499	2.9
68.90795	0.4
69.03403	0.5
69.07072	0.9
71.08611	0.7
71.58765	0.7
72.08139	0.7
79.05486	1.9
80.05033	0.6
81.03436	0.4
81.07055	4.8
82.06547	0.6
83.04977	0.5
83.08616	0.7
88.87014	0.4
91.05479	8.2
93.05788	0.6
93.07043	10.8
94.06568	2.4
95.04958	3.1
95.08607	2.2
99.08111	0.5
103.05457	5.5
105.06990	2.1
107.04956	1.3
107.08588	1.8
107.81239	0.4
108.08092	0.6
109.10165	1.0
117.07034	1.2
117.70008	0.4
119.08578	1.9
120.05693	0.5
120.06853	1.0
120.08109	0.7
121.06500	39.2
121.10130	1.4
122.09682	1.0
123.11759	0.5
129.07027	1.1
131.07333	1.2
131.08583	1.0
132.08083	3.5
132.10190	1.0
133.07602	6.8
133.08640	0.7
133.10132	0.9
134.09630	0.6
135.11656	1.2
136.11200	0.6
143.08566	0.9
144.08067	2.2
145.08942	1.0
145.10133	1.4
146.08549	0.6
146.09583	2.3
147.09158	1.0
147.11710	1.0
148.09959	4.4
149.10698	0.6
150.09160	0.5
156.09161	0.4
157.08931	0.5
157.10149	1.1
158.01207	0.4
158.09688	2.3
159.09177	1.8
159.10457	1.3
159.11696	0.9
160.10027	0.8
160.11192	4.2
161.10750	2.2
170.09637	1.0
171.10385	0.8
171.11708	1.0
172.11211	3.5
173.10706	0.5
173.12003	1.0
174.11455	0.5
174.12846	0.8
184.11238	0.5
185.12044	1.8
186.12811	1.4
188.14397	0.7
199.14859	1.2
201.13904	1.7
204.17476	5.0
211.14912	0.6
214.15894	5.6
215.15517	1.8
216.17458	4.4
226.56325	0.4
231.18549	4.4
241.19727	0.5
247.41327	0.5
253.13371	5.4
259.20496	0.8
259.24564	1.1
268.15744	1.2
277.21497	0.6
279.14856	1.6
280.15656	0.6
281.16547	1.0
292.22601	0.5
294.17300	0.8
333.26126	0.8
351.24338	100.0
352.24637	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	351.214
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
67.05486	1.3
67.82135	0.6
69.45245	5.5
70.39461	0.5
71.08615	0.7
77.00900	1.3
79.05510	1.3
79.92693	0.5
81.03397	1.2
81.07028	1.5
93.07047	1.5
95.01936	0.7
95.08596	1.0
95.58083	0.6
99.08072	0.7
107.08581	0.8
109.10148	0.8
109.26572	0.5
111.04195	2.5
117.07033	0.6
119.08608	0.7
121.10129	0.7
122.60439	0.6
135.11691	0.5
161.13350	0.6
215.11253	0.8
233.12387	0.6
243.14537	0.9
245.15231	4.0
260.57471	0.7
263.14941	1.4
268.87692	0.6
281.15961	2.2
333.20300	8.1
351.21402	100.0
352.21735	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2141
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
54.00783	1.0
55.33728	0.8
65.40376	0.9
67.05497	1.8
69.86820	5.0
75.39106	0.8
77.00890	1.7
79.05485	1.4
80.60114	0.9
81.07044	2.6
91.05472	2.5
93.07025	2.0
95.08580	1.5
105.07015	1.0
107.08615	1.2
109.10178	1.0
117.07011	0.9
131.08554	0.9
147.11621	1.3
163.97195	1.0
179.32054	0.9
215.11353	1.0
253.12897	2.0
271.13934	1.6
291.10034	1.1
333.19315	2.8
351.21408	100.0
352.21661	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	351.214
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16825	0.8
55.05505	1.8
57.03430	1.1
67.05505	4.3
69.07058	1.0
70.00017	3.4
71.08623	1.1
79.05497	3.5
81.07046	5.2
91.05495	2.0
93.07040	3.5
95.05003	1.0
95.08614	2.5
96.08161	1.1
104.52045	0.9
105.07028	2.4
107.08623	2.0
109.10143	1.1
119.08560	3.0
121.10148	1.9
131.08611	1.0
135.11710	1.8
147.11707	1.6
149.13370	0.9
161.13379	1.1
215.11305	1.0
243.14516	1.2
259.20596	2.2
277.21725	1.4
328.18509	0.9
333.20139	1.8
339.09921	1.2
351.21399	100.0
352.21533	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.6
58.47527	0.6
69.03418	1.1
70.06590	1.7
71.57648	1.0
75.43441	0.5
79.05496	1.3
81.07059	0.7
82.06565	0.9
84.08135	0.8
85.02904	1.2
86.09741	0.6
91.05473	1.1
94.06569	1.1
95.83605	0.7
97.02922	0.9
98.06068	7.9
103.05473	2.5
107.04958	1.8
110.07123	0.6
115.05412	0.7
116.07092	1.6
116.98649	0.5
119.04948	0.6
120.08076	1.1
127.03851	0.8
130.06522	0.6
131.04933	1.0
140.07045	1.3
144.06563	25.8
145.02890	0.7
145.05022	0.7
147.04402	2.6
158.08116	2.3
170.06049	0.6
175.08652	1.4
175.46056	0.6
177.05478	1.6
186.11571	0.6
187.08704	0.8
189.10323	0.8
190.08632	1.2
199.08708	4.0
200.09470	10.1
201.10237	11.5
202.10973	0.7
204.08592	1.3
212.09549	0.8
213.10234	10.7
214.10995	6.8
215.11801	22.4
216.12373	1.4
217.09694	2.4
219.11282	12.4
225.10432	0.8
226.11044	2.3
227.08191	0.7
227.11844	1.7
228.12560	4.2
231.11288	2.5
241.09770	3.6
241.13368	5.4
242.10484	14.2
243.11278	3.1
245.09239	1.7
249.22360	0.7
254.10535	1.5
255.11340	1.5
256.09674	0.9
256.12054	4.2
259.10834	3.7
260.11630	4.5
261.12375	1.3
269.12881	5.1
272.11603	1.3
274.13214	1.0
277.11890	3.3
282.10089	0.9
287.13919	4.0
289.15363	0.6
297.12347	7.3
300.11053	3.6
302.10144	1.4
306.13309	1.2
315.13373	19.9
316.13907	0.9
333.11185	1.1
333.14471	22.9
333.18451	1.2
351.15518	100.0
352.14319	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69695	0.5
55.05511	0.8
55.79757	0.5
67.05486	1.6
69.07072	0.6
70.11450	2.1
77.00894	0.8
79.05492	1.6
81.03409	0.7
81.07043	1.7
91.05457	0.9
93.07030	1.5
93.08086	0.5
95.01943	0.7
95.08601	1.0
95.61017	0.5
98.21420	0.6
105.07005	0.8
107.08608	0.7
111.04217	2.5
119.08581	0.7
131.08553	0.6
133.10086	0.6
145.10161	0.5
245.15204	3.7
263.14932	1.8
276.05707	0.5
281.15985	1.9
315.18759	0.8
333.20166	7.1
347.88348	0.5
351.21399	100.0
352.21783	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	100.0
67.30488	5.7
69.00912	6.2
69.34046	35.7
69.34471	23.7
72.04512	28.1
74.02434	16.3
74.06071	51.9
76.05128	29.8
81.03390	10.1
82.47855	4.9
84.04508	10.2
86.03563	11.9
95.01977	4.9
98.20777	11.5
100.67248	6.7
101.00881	27.0
101.02380	5.8
102.03004	6.9
102.05544	33.3
103.02456	17.0
109.02866	10.4
113.00900	9.3
114.02997	13.8
114.22191	6.6
115.02420	10.5
118.05039	19.9
119.01920	81.4
120.02031	6.8
120.06585	26.2
121.03448	6.8
123.20907	6.5
126.03003	10.0
127.02419	16.1
127.03835	6.8
128.03484	6.9
130.04013	5.7
131.01877	69.6
133.03441	17.7
137.02954	15.4
139.02376	7.0
140.04492	7.6
142.01147	6.5
142.02513	9.3
143.01971	17.5
143.03265	54.8
144.02875	9.1
144.04045	16.1
145.03487	90.9
146.01292	6.5
146.03618	6.9
147.01396	19.4
148.71133	5.8
149.02924	17.0
153.01862	19.3
155.01900	40.1
155.03114	9.8
156.02788	12.0
157.03453	78.4
159.04979	11.7
160.03465	7.4
160.07172	14.0
161.02907	41.3
163.04527	23.0
167.01947	12.9
169.03484	20.6
171.01381	9.8
171.05093	7.0
173.02943	86.3
175.04550	35.8
177.09843	43.6
184.02235	8.1
185.02975	37.7
185.05501	8.6
186.05139	11.9
187.04594	13.6
189.02438	31.1
197.02898	10.1
199.04594	12.9
201.02492	14.1
203.03983	17.5
207.03239	12.6
217.05559	18.7
221.05026	27.0
231.03479	66.1
232.05724	12.8
235.06622	67.1
239.06079	13.2
243.03500	19.3
249.04634	14.7
253.07674	76.1
253.09955	6.5
261.08228	25.4
263.06296	9.4
269.05612	6.2
269.08859	17.8
275.05850	6.3
277.11490	9.2
279.09268	40.8
287.34457	6.0
289.07663	71.8
305.07098	18.2
307.08743	66.7
315.05933	11.1
315.09244	41.1
316.07733	21.8
323.08438	12.7
333.06592	54.6
333.10406	65.9
351.07440	85.6
351.11411	17.1
352.07867	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	351.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24880	1.7
56.96566	16.1
61.02917	3.1
62.21091	1.8
69.03416	6.8
71.05010	2.1
71.57444	2.2
73.02919	3.4
81.03399	3.7
84.08149	2.5
84.96029	4.3
85.02899	10.1
97.02880	5.7
98.97572	24.3
99.04453	2.7
100.99117	2.0
101.00887	3.8
103.02448	5.2
110.97582	7.5
113.00861	3.3
115.02457	2.1
115.51851	1.7
116.98618	18.2
117.03954	2.7
119.01900	11.5
121.03490	2.4
127.03893	2.5
128.98616	11.2
129.03967	4.2
131.00186	5.2
131.01910	17.6
133.03453	7.1
134.99644	5.8
135.04967	2.0
137.02985	2.2
143.00185	2.4
143.01897	2.5
144.10179	2.7
145.03488	9.9
145.05032	2.5
146.99634	8.1
147.03239	4.2
147.05023	46.0
149.01270	3.4
149.02927	5.2
155.01889	5.8
156.03691	2.1
157.03497	4.6
158.99657	9.5
159.05048	7.8
161.01180	5.6
161.02979	5.0
162.99165	2.6
163.02843	3.1
165.00659	2.2
165.04388	4.3
165.06079	19.1
170.99727	3.9
171.03566	2.4
171.05020	15.8
173.02979	9.9
173.06595	2.8
175.04601	5.5
177.00706	9.7
178.04930	6.0
183.05003	6.4
185.02939	2.8
185.06580	7.4
187.04497	2.7
189.00708	4.9
189.06078	67.2
190.06186	2.4
201.00693	2.4
201.06087	44.4
202.06436	2.1
203.07556	8.4
213.06110	4.5
215.07733	2.6
219.01727	16.3
219.07224	3.7
220.02167	1.9
221.05083	18.5
225.06061	11.6
231.07153	4.7
234.92468	1.7
237.00543	2.6
237.02788	31.9
243.07088	4.2
245.05037	3.3
255.03870	3.8
261.08145	5.5
273.08084	4.3
284.98886	1.7
291.09412	100.0
292.09390	5.4
309.05020	3.3
309.08670	26.5
328.65924	1.7
351.05991	2.2
351.11267	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	351.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94749	1.5
55.43361	2.0
56.96566	8.8
57.01906	1.6
69.89081	3.2
69.89487	6.1
73.21677	1.6
82.32391	1.5
82.99857	2.5
84.08132	1.7
85.01400	3.2
89.76173	1.6
97.02917	1.6
98.20970	4.1
98.21531	1.8
98.97588	13.6
101.00871	14.1
103.02441	16.7
110.97540	2.0
113.00854	4.8
115.02451	7.0
116.98598	8.7
118.01122	2.7
119.01919	48.9
121.03477	8.1
127.02425	9.9
128.98596	5.2
129.00293	2.1
131.01917	24.9
133.03465	50.4
134.99684	4.0
137.02940	6.7
139.02415	1.8
143.01886	19.4
145.03450	57.2
147.01379	21.7
147.05016	1.9
149.01114	1.6
149.02907	3.4
151.04518	24.2
155.01886	22.6
157.03476	27.1
159.05029	4.8
161.01161	2.7
161.02960	34.1
163.04514	12.0
169.03474	1.8
171.01396	4.5
173.02957	50.4
174.03688	3.0
175.02988	2.4
175.04524	47.6
177.00876	3.4
179.00706	4.1
185.02945	29.9
187.04524	30.1
189.00864	2.6
189.02457	10.5
191.04007	4.6
203.00998	2.6
203.04007	89.2
204.04178	2.3
205.05560	2.8
207.92381	1.7
215.03998	22.4
217.05566	4.1
219.01813	6.9
221.01869	7.7
221.05026	15.6
226.05519	2.9
231.03485	3.8
233.05058	3.3
237.02827	6.5
237.99954	2.0
245.05084	93.3
255.03828	3.4
263.06125	100.0
264.06253	2.0
264.53619	1.8
273.04602	7.1
279.03830	5.9
286.07681	4.5
291.02441	2.9
291.05576	38.0
309.03354	3.5
309.06631	56.3
310.07129	2.0
332.08261	1.9
351.07758	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14261	3.6
56.05016	11.1
69.46142	3.7
71.12844	9.2
74.06088	5.6
77.00915	5.7
85.02918	9.1
89.34440	4.5
94.93015	3.8
101.00871	24.3
103.02390	3.7
113.00894	5.4
115.02464	7.9
119.01920	75.8
121.01678	5.1
127.02379	9.3
131.01906	53.1
133.03450	11.4
137.02950	9.9
142.01106	7.5
143.01949	20.4
143.03050	5.5
145.03465	87.6
147.01329	6.6
147.05017	9.7
149.02948	12.8
155.01862	41.0
156.02681	8.1
157.03452	55.0
159.04990	8.5
160.02141	5.8
161.02975	21.0
161.46677	4.5
163.04520	14.4
167.01909	9.6
169.03473	8.1
171.05048	6.0
173.02959	76.8
173.04349	7.7
175.04604	27.1
177.09799	8.3
185.02954	38.9
187.04501	12.2
189.06078	7.3
197.02994	7.6
199.04530	10.8
203.04039	18.6
215.03967	5.7
217.01912	4.3
217.05438	11.7
221.05132	19.7
235.06625	72.4
243.03590	4.6
247.06592	5.5
253.07677	85.6
258.08234	8.6
261.08124	38.1
279.09314	34.3
289.07663	74.2
291.09253	17.9
305.07190	13.3
307.08795	29.5
309.10214	4.1
315.05646	6.1
316.07864	4.8
323.50601	3.9
333.06689	55.4
333.10229	8.7
334.07443	5.6
351.07062	100.0
351.11215	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	351.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	39.1
56.96559	5.7
58.99859	6.8
63.72134	4.0
67.20649	4.5
69.03430	6.1
71.00092	8.7
72.04527	7.5
74.06067	16.0
76.05117	15.0
77.00908	9.0
80.62518	4.3
81.03394	8.7
84.04536	4.9
85.02886	7.1
97.67553	4.2
98.97575	4.3
101.00908	28.5
102.05541	11.6
103.02480	10.0
105.00371	6.7
109.02883	8.5
112.01386	4.6
113.00867	4.3
115.02420	11.8
118.05014	10.2
119.01138	8.1
119.01918	85.6
120.02022	5.0
120.06606	11.6
127.02421	7.8
127.03828	5.3
131.01891	74.8
133.03461	14.6
137.02953	10.7
139.02351	6.9
142.37152	4.1
143.01907	24.2
143.03273	19.2
145.03476	99.2
147.01411	6.1
147.05070	6.6
149.02946	15.7
153.01778	31.6
153.02846	4.3
155.01915	43.1
156.02719	12.2
157.03471	57.6
159.03233	6.0
160.02147	8.1
160.07117	7.2
161.02997	33.2
162.08296	5.0
163.04526	14.2
167.01897	15.6
169.03419	12.6
171.01376	10.7
171.05098	5.2
173.02948	81.7
175.04579	25.0
177.09846	22.6
184.02104	9.1
185.02980	44.9
187.04491	13.6
189.02382	14.0
189.06165	7.5
193.00117	5.0
197.02937	7.4
199.04463	9.9
201.02461	7.9
201.06125	7.0
203.04001	18.5
207.03174	8.8
215.03951	7.9
217.05551	12.7
221.05038	20.4
229.05460	6.5
231.03476	44.1
235.06636	76.4
243.03545	12.3
247.06563	5.4
249.04343	8.8
251.04378	5.3
253.07677	100.0
257.05118	6.6
258.08249	4.8
261.08197	40.8
269.08798	6.9
279.09290	45.4
289.04749	7.1
289.07709	90.0
291.09283	13.0
305.07126	13.3
307.08725	64.7
315.09369	15.9
316.07623	11.7
323.08133	6.7
333.06622	54.7
333.10376	20.4
351.07343	78.2
351.10999	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	351.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14261	3.6
56.05016	11.1
69.46142	3.7
71.12844	9.2
74.06088	5.6
77.00915	5.7
85.02918	9.1
89.34440	4.5
94.93015	3.8
101.00871	24.3
103.02390	3.7
113.00894	5.4
115.02464	7.9
119.01920	75.8
121.01678	5.1
127.02379	9.3
131.01906	53.1
133.03450	11.4
137.02950	9.9
142.01106	7.5
143.01949	20.4
143.03050	5.5
145.03465	87.6
147.01329	6.6
147.05017	9.7
149.02948	12.8
155.01862	41.0
156.02681	8.1
157.03452	55.0
159.04990	8.5
160.02141	5.8
161.02975	21.0
161.46677	4.5
163.04520	14.4
167.01909	9.6
169.03473	8.1
171.05048	6.0
173.02959	76.8
173.04349	7.7
175.04604	27.1
177.09799	8.3
185.02954	38.9
187.04501	12.2
189.06078	7.3
197.02994	7.6
199.04530	10.8
203.04039	18.6
215.03967	5.7
217.01912	4.3
217.05438	11.7
221.05132	19.7
235.06625	72.4
243.03590	4.6
247.06592	5.5
253.07677	85.6
258.08234	8.6
261.08124	38.1
279.09314	34.3
289.07663	74.2
291.09253	17.9
305.07190	13.3
307.08795	29.5
309.10214	4.1
315.05646	6.1
316.07864	4.8
323.50601	3.9
333.06689	55.4
333.10229	8.7
334.07443	5.6
351.07062	100.0
351.11215	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	350.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66006	1.1
53.17612	0.9
55.01871	9.1
55.98142	0.9
69.03443	2.4
71.20218	2.8
81.07050	1.1
82.06573	3.9
84.04519	1.4
85.02908	5.2
96.08128	10.1
97.02889	2.6
107.04955	1.8
110.06049	21.2
124.07593	22.2
128.07111	3.0
138.86290	0.9
142.08644	6.6
152.07071	35.3
153.05504	1.4
162.63565	1.1
170.08124	40.0
170.09613	1.9
188.09181	100.0
189.09534	1.5
212.09146	4.1
228.77129	1.0
238.94199	1.0
245.90619	1.1
266.10181	1.3
267.54260	1.0
270.51135	1.3
317.56342	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
66.27882	20.4
67.68181	20.9
69.03431	38.0
70.06607	20.7
71.02224	23.4
71.02555	40.4
80.01284	17.5
85.02931	53.3
93.44650	20.0
97.02928	37.8
100.73911	21.2
102.64698	18.7
107.04986	19.8
110.06045	43.6
111.04453	39.9
115.06322	18.7
124.07648	33.6
130.06557	26.0
139.03918	100.0
139.24553	16.9
152.07130	35.4
170.08167	43.9
171.06586	88.2
184.15919	20.5
188.09247	71.0
237.02953	23.5
253.53592	18.6
332.04071	21.8
350.14014	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	350.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01619	1.8
55.01867	15.1
56.96285	0.9
56.96558	4.8
61.02935	1.5
62.35172	1.1
69.03426	5.1
70.76584	1.9
70.76920	1.9
73.02921	1.6
79.05495	3.3
80.22992	1.2
81.03414	2.4
81.07059	1.8
82.06571	7.7
84.04500	1.9
85.02906	12.5
96.08121	20.2
97.02879	6.0
97.06517	1.8
98.06058	1.6
98.21174	1.6
98.97576	6.5
99.04499	1.3
100.07634	1.2
101.00851	1.1
107.04956	4.1
109.02847	1.4
110.05290	2.2
110.06041	40.1
110.06774	2.4
110.97577	1.1
111.04430	1.2
116.98609	2.3
119.01929	2.5
124.07594	35.0
125.05982	1.4
127.03953	2.3
128.07069	6.3
128.98625	1.4
131.00206	1.8
134.05984	2.6
135.04422	1.6
136.07562	1.4
142.08611	8.0
145.03403	1.1
146.99704	1.4
152.07062	50.2
152.08296	2.5
153.05479	4.0
158.99663	1.4
161.01228	1.4
162.32471	1.0
170.08118	50.1
173.02965	1.4
174.99045	1.3
182.08180	1.3
188.09175	100.0
191.02353	1.1
193.00198	1.8
212.09164	3.8
219.01807	1.7
221.05013	1.3
237.02870	3.2
246.96248	1.2
351.06094	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.8
56.05021	1.2
57.07077	44.2
67.05494	3.1
69.07070	2.1
70.84109	2.2
70.84488	2.4
71.08633	25.6
73.06534	2.9
79.05483	2.9
81.07043	3.8
83.08619	2.9
85.09726	1.4
85.10188	20.5
86.12906	0.9
89.06033	100.0
91.05449	2.4
93.07046	2.2
95.08588	3.4
96.05636	1.2
97.10141	1.7
99.11716	2.6
100.08961	1.0
105.07024	1.8
107.07064	8.8
107.08599	1.4
113.00044	1.3
113.13301	1.4
121.10190	1.2
129.21997	0.9
130.08640	2.5
133.08604	28.9
143.80299	1.0
145.10120	1.2
147.11671	1.2
151.09668	3.6
157.53647	1.1
177.11198	4.8
195.12282	13.2
342.27240	1.1
371.22736	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1343
Annotation	Mitomycin A
Peak:m/z	Relative Intensity
53.03932	0.7
53.98298	0.5
55.01854	1.6
56.05001	0.6
57.03441	2.3
60.04525	8.5
60.54135	0.5
61.02902	1.7
62.37468	0.5
67.05503	0.7
69.03427	7.5
69.51453	4.3
71.04974	2.2
73.02900	0.7
74.58120	0.5
79.05479	0.8
81.03393	1.8
81.07037	0.9
91.05453	1.1
92.22078	0.5
98.20770	1.1
99.04445	2.2
109.10111	0.5
109.35937	0.6
110.07038	0.4
110.29311	0.5
111.84850	0.5
116.04951	0.6
117.05544	0.7
118.06521	4.3
120.08106	0.6
124.43483	0.5
132.06860	0.9
132.08055	1.2
145.07597	16.5
146.08252	1.0
147.07971	1.2
147.09160	22.8
157.07570	1.2
159.09169	10.5
160.09929	1.9
161.10733	0.6
164.16449	0.6
173.07088	1.2
173.10754	0.9
175.08661	1.1
184.09895	0.8
185.10738	3.6
187.08664	1.0
187.12303	1.4
189.10196	1.6
191.08145	100.0
192.08447	1.6
197.10724	1.2
199.08553	1.2
199.12291	1.0
201.10181	1.0
213.10254	1.5
215.11804	2.0
216.07686	10.6
225.10190	0.7
231.11201	1.0
233.09262	0.6
243.11299	0.7
245.09186	1.0
245.12874	0.7
253.14545	0.5
259.10815	0.9
263.13885	7.6
278.24698	0.8
289.11752	3.7
296.25809	0.9
307.12872	53.9
308.13174	1.3
314.27029	0.9
332.27933	2.0
350.13449	37.8
350.29074	4.1
351.13651	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2737
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.68495	0.5
55.05500	1.9
55.07575	0.4
55.92976	0.4
55.99324	0.5
56.89764	0.5
57.06836	0.5
57.07078	5.3
63.88728	0.4
66.19773	0.4
67.05511	4.1
69.07072	3.4
69.50269	4.4
69.50564	0.4
71.08626	2.3
79.05501	2.4
79.61953	0.5
81.07053	6.7
83.08602	1.1
85.06519	2.0
91.05474	1.7
93.07046	3.2
95.08609	5.3
97.06490	0.5
99.08074	1.7
102.47018	0.5
105.07039	2.4
107.08575	2.6
109.06517	17.6
109.10155	2.2
111.08066	1.0
119.08578	1.9
121.10131	2.5
122.07283	1.6
123.08068	25.6
123.11639	1.0
131.08565	0.7
133.10118	1.4
135.08086	3.5
135.11649	0.6
137.09575	0.6
137.13347	0.6
145.10150	0.8
147.11684	1.0
149.09631	0.8
151.11194	0.6
159.11716	1.0
165.12726	0.9
179.14313	100.0
180.14677	2.7
193.15854	2.3
275.20065	0.7
289.25244	0.6
293.21191	0.6
331.26270	3.0
349.27383	73.8
350.27625	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	349.2737
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.27919	0.6
55.01871	0.8
55.05511	6.6
57.07070	2.4
62.31631	0.6
67.05499	7.5
69.07069	11.8
69.91374	2.0
69.91785	1.9
71.04966	1.9
71.08633	1.6
73.06526	0.7
77.05866	0.8
79.05502	4.9
81.07049	11.5
83.04992	1.3
83.08627	4.5
89.06030	0.7
91.05472	2.8
93.07043	6.2
95.04945	1.3
95.08607	9.1
97.06534	2.6
97.10184	1.2
104.02883	0.6
105.07021	3.2
107.08594	6.4
109.06523	12.8
109.10154	4.5
111.08031	1.6
112.55344	0.5
112.99992	0.7
114.09063	0.6
119.08604	5.1
121.10159	4.2
122.07306	0.9
123.08066	69.7
123.11713	2.1
131.08565	1.6
133.10130	2.3
135.08037	4.2
135.11673	1.9
137.09622	4.0
145.10092	1.3
147.11693	1.8
149.09634	1.8
149.13232	2.5
159.11682	0.9
161.13257	1.5
163.11142	0.7
173.13290	1.0
177.12776	0.8
179.14290	10.7
253.40919	0.7
275.20078	2.3
289.25394	1.0
293.21118	19.4
307.22699	1.3
331.26178	4.7
335.58173	0.7
349.27371	100.0
350.23837	0.6
350.27744	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	349.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47638	10.7
53.03930	11.2
55.05513	19.8
55.55588	12.2
67.05499	51.3
69.07056	37.3
69.35142	55.2
69.35566	52.4
69.55476	11.0
71.04986	14.0
79.05497	47.6
81.07057	54.9
83.04978	10.8
83.08583	14.9
91.05488	76.3
93.07048	86.6
95.04978	31.3
95.08603	60.3
97.06516	15.5
105.07031	100.0
107.08602	69.7
109.06469	17.6
109.10160	47.3
117.07004	18.1
119.08580	88.3
121.06483	14.3
121.10146	80.1
129.06960	23.8
131.08569	61.0
133.10078	54.7
135.11696	23.9
142.07808	15.5
143.08585	35.5
145.10138	42.9
147.11673	18.4
155.08543	14.6
156.09396	13.8
157.10130	41.7
159.11671	32.1
161.09599	18.9
163.11374	11.2
169.10129	20.6
171.11710	13.0
173.13388	15.6
179.08534	20.4
182.10985	16.0
183.11606	19.3
187.14758	16.4
197.13419	17.7
199.14761	18.2
199.87459	11.0
209.13203	20.6
241.61745	11.5
251.17979	14.3
258.22342	11.8
275.20096	20.3
349.25211	62.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	2.5
53.03935	6.0
55.01865	5.6
55.05507	25.2
57.03440	44.0
65.03923	3.8
67.05506	50.6
69.03432	3.1
69.07066	17.3
70.33349	7.6
70.33707	4.6
71.04974	4.3
79.05069	4.0
79.05494	59.7
80.63750	2.3
81.03390	4.5
81.07057	54.8
81.27553	2.9
83.04950	2.8
83.08613	15.1
85.06532	6.4
88.47742	2.3
89.03910	3.8
91.05478	90.3
93.07041	59.8
93.72191	2.8
95.04954	12.7
95.08601	44.4
97.02874	5.2
97.06528	5.8
97.10152	5.6
98.21370	2.7
99.08076	5.0
100.28741	2.2
103.05446	4.4
105.07029	100.0
107.04939	3.9
107.08592	36.8
109.06512	9.9
109.10176	12.6
111.08064	5.3
117.03378	4.6
117.07014	46.9
119.08581	77.1
120.08867	2.9
121.06477	4.2
121.10175	20.1
123.08018	3.9
125.09614	2.8
129.07013	18.8
131.08559	56.0
133.06519	3.8
133.10124	38.6
135.11710	8.7
137.09618	4.8
141.07024	6.5
142.07782	4.6
143.08571	17.6
145.02840	5.0
145.09042	4.8
145.10121	66.7
146.10448	5.2
147.11690	37.2
149.09618	10.1
149.13220	5.5
155.08575	5.2
157.10146	26.1
159.11688	59.6
159.34416	2.3
161.09552	5.6
161.13226	16.6
163.11189	6.8
169.10136	11.1
171.11710	14.1
173.13268	24.2
175.11160	7.0
175.14816	9.6
177.05453	16.9
177.12788	3.2
183.11694	8.8
185.13281	32.4
187.14839	3.2
193.12448	2.6
194.76018	2.5
196.09390	2.6
197.13251	7.6
199.92720	2.7
201.16434	3.0
203.14325	14.6
211.14798	4.5
213.16321	4.0
215.18036	4.8
219.17418	22.4
229.19554	13.5
239.17998	24.1
257.18988	51.6
258.19446	4.9
275.20020	38.8
275.89746	2.9
289.77118	3.0
328.32153	2.6
330.29346	2.4
331.22519	4.4
333.60004	2.6
349.19852	10.6
349.23718	81.2
350.23953	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	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.3
55.01865	5.5
55.05508	21.8
57.03436	54.6
65.99299	4.3
67.05502	45.4
69.07062	17.3
70.84460	13.6
71.04988	6.9
73.65630	4.1
79.05494	65.4
81.07057	61.7
83.04990	4.8
83.08605	7.9
85.06557	7.2
86.04830	4.2
88.00022	3.9
90.70600	4.3
91.04907	5.3
91.05474	100.0
93.07041	66.1
94.75231	4.4
95.04992	10.1
95.08607	42.3
97.06539	7.7
105.07027	99.2
107.04965	6.0
107.08575	36.8
109.06522	12.3
109.10162	11.9
112.83012	3.9
117.07026	42.3
119.08575	79.2
119.09358	6.0
121.10164	17.2
123.08092	9.3
128.06264	6.2
129.06999	19.0
131.08574	50.7
133.06436	5.6
133.10121	43.1
135.08083	4.7
135.11719	9.1
141.06932	4.5
143.08559	22.2
145.10124	59.2
147.11691	40.6
148.60474	3.9
149.09656	9.3
149.13266	5.1
157.10118	18.7
159.11668	60.3
161.09628	7.0
161.13261	19.0
163.11191	9.2
169.10136	11.6
171.11630	6.4
173.13275	20.9
175.11414	4.4
175.14813	6.7
177.10014	4.5
183.11700	12.7
185.13286	31.9
200.56477	4.1
201.16359	9.8
203.14339	15.6
211.14926	5.5
219.17473	23.8
229.19687	9.4
239.17932	22.0
251.12720	7.9
257.18954	52.8
275.20090	40.5
331.22812	4.5
333.17908	4.8
349.19806	36.0
349.23795	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	11.6
55.01872	20.5
55.05513	44.4
57.03435	19.8
57.07060	4.9
65.03926	3.2
67.05506	84.6
69.03439	3.3
69.07067	43.8
69.86699	2.6
71.04997	4.9
77.36541	2.9
79.05492	100.0
81.03411	17.0
81.07058	76.5
83.04985	20.3
83.08611	11.3
85.06528	3.4
91.05484	70.7
93.07043	73.2
95.01328	10.3
95.04975	27.8
95.08604	39.9
97.06538	26.0
97.10178	12.9
99.08078	3.2
103.05502	3.1
105.07026	78.1
107.04960	39.6
107.08593	52.1
109.06491	7.8
109.10154	22.1
111.08060	5.3
117.07050	20.7
119.08585	41.3
121.06509	7.7
121.10145	20.6
123.08097	6.4
123.11716	3.7
125.09626	10.8
129.07013	3.9
131.08562	22.8
133.06432	3.1
133.10135	43.7
135.08075	8.6
135.11664	10.5
136.66135	2.7
137.09555	3.2
143.08553	5.1
145.06483	4.7
145.10109	23.9
147.08034	3.0
147.11694	17.8
149.09604	38.2
149.13261	6.2
157.10054	6.4
159.11693	16.0
161.13245	8.6
163.11214	10.5
169.10149	4.7
171.11740	6.1
173.11707	3.8
173.13243	9.8
177.12825	4.2
179.14377	14.0
187.11201	6.5
189.11209	3.9
205.79601	2.7
223.13269	4.5
229.19447	5.1
247.20436	3.5
257.18985	9.3
275.20056	48.0
291.19434	3.1
349.13104	5.9
349.19604	4.3
349.23645	31.0
349.27646	4.2
349.33322	2.5
350.23279	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	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.0
53.10389	3.4
55.01871	26.5
55.05512	49.6
56.92995	3.2
56.96554	5.1
57.03436	28.4
57.07069	3.2
59.04972	4.0
65.03952	4.2
67.05505	86.1
69.03416	5.5
69.07066	48.3
70.12762	17.2
71.05002	4.0
79.05492	100.0
80.05836	3.1
81.03398	11.3
81.07059	80.0
83.04971	8.9
83.08611	17.4
84.04490	5.2
85.02901	6.6
85.06538	5.4
91.05479	90.3
91.06019	6.5
93.07047	74.3
95.01319	4.4
95.04964	19.3
95.08601	47.2
97.06541	28.9
97.10160	11.7
98.20847	4.2
98.98474	10.2
105.07034	89.8
106.07335	3.5
107.04936	28.8
107.08595	79.8
109.06505	17.6
109.10153	27.1
111.08080	10.0
115.05453	6.3
117.07006	29.9
119.08585	56.7
120.08948	4.5
121.06509	7.7
121.10143	25.7
123.08045	5.3
123.11713	3.9
125.09660	15.1
127.07511	3.6
129.07019	6.6
131.08560	42.0
131.23068	3.2
133.10132	52.1
135.08058	8.0
135.11693	19.3
137.09596	8.1
143.08557	9.2
145.10115	61.2
147.07959	4.7
147.11697	42.0
149.09613	27.0
149.13260	9.8
151.11211	4.5
155.01077	8.6
155.08566	6.1
157.10075	5.3
159.11690	27.4
161.13271	12.6
163.11192	16.5
169.10101	8.7
171.11710	12.2
173.13264	13.3
175.11115	4.2
177.12694	8.3
179.14359	7.4
183.11670	7.3
187.11157	3.5
189.11183	6.3
213.16376	3.6
229.19487	9.0
239.17987	11.5
247.20596	8.2
257.19043	37.4
275.20038	71.0
349.19791	94.6
349.23795	65.0
350.20081	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	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84973	2.9
53.03948	19.0
55.01869	19.6
55.05513	27.4
57.03434	23.4
57.07064	3.3
66.45268	3.3
67.05177	5.5
67.05504	80.9
69.07069	69.7
70.20690	16.8
71.04969	4.5
75.97064	3.1
79.05489	74.7
81.03419	47.7
81.07056	99.8
83.04980	12.4
83.08599	13.3
85.02885	5.5
85.06532	5.0
91.05480	90.5
93.07037	72.0
95.01324	22.2
95.04958	33.4
95.08601	66.8
97.06532	28.9
97.10120	4.2
97.65573	3.3
105.07017	100.0
107.04948	50.8
107.08603	40.0
109.06495	12.4
109.10117	17.0
111.08073	8.8
115.05391	4.9
117.07014	27.7
119.08582	60.8
121.06493	7.2
121.10171	17.9
123.08054	12.2
123.11652	4.5
125.09636	6.7
129.07025	6.9
131.08549	38.3
133.06619	3.9
133.09109	4.6
133.10127	69.1
135.08029	8.1
135.11726	17.5
137.09590	5.5
141.06847	4.2
143.08543	7.7
145.06448	6.2
145.10117	29.7
147.11682	22.0
149.09630	11.0
149.13234	11.3
151.11032	4.0
157.10092	3.4
159.11684	24.5
161.13269	9.9
163.11180	9.0
165.12750	3.5
169.10118	7.1
171.11897	8.4
173.13242	6.0
175.25337	3.1
177.12753	11.3
179.14275	27.6
183.11702	5.3
187.11147	7.1
201.12836	3.9
205.12233	4.9
257.18961	11.0
275.20053	50.2
349.23785	35.8
349.34009	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	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.9
55.01867	18.0
55.05516	26.9
56.96567	7.7
57.03436	28.4
60.61791	2.7
61.02920	4.3
65.03937	4.5
67.05503	69.1
69.03447	5.0
69.07066	31.8
70.65083	10.0
71.05006	5.2
73.02886	2.8
79.05058	5.9
79.05488	75.5
81.03410	8.4
81.07054	82.8
83.04980	12.4
83.08630	16.2
84.00156	2.6
85.02888	6.6
85.06538	7.9
89.10958	2.7
91.04900	4.1
91.05476	76.6
93.07041	65.2
95.04967	17.8
95.08602	42.2
97.02921	3.3
97.06532	15.8
97.10178	7.0
105.07027	100.0
107.04972	15.9
107.08586	57.3
109.06509	8.3
109.10147	19.8
111.08076	4.6
115.05408	4.4
117.07006	33.9
119.08576	60.4
121.06470	6.9
121.10143	23.4
123.08087	6.5
123.11720	6.4
125.09617	7.7
127.03954	3.5
129.07021	14.8
130.07773	5.9
131.08549	53.8
132.10222	4.7
133.06491	4.9
133.10136	43.4
135.08040	8.2
135.11690	12.7
136.46136	2.5
137.09595	3.3
141.07010	5.9
143.08574	13.6
145.10121	69.0
147.11688	39.5
149.09624	22.8
149.13287	7.1
151.11185	3.5
155.08559	6.1
157.10161	13.4
159.11670	34.2
161.09636	2.9
161.13237	13.0
163.11194	9.6
165.09186	3.2
169.10051	4.5
169.65366	3.1
171.11674	11.5
173.09872	3.5
173.11798	4.9
173.13287	12.6
175.11159	4.1
175.14761	3.0
177.12654	5.0
183.11697	10.1
185.13271	10.8
187.14796	3.4
189.11205	3.8
197.13295	7.3
211.14987	4.3
216.83134	3.1
219.17479	10.1
229.19519	6.8
239.17946	16.8
247.20570	4.6
257.19006	53.1
258.19452	4.3
258.24323	9.8
267.09088	3.0
269.12436	7.2
275.20093	53.4
285.10110	9.2
291.19556	3.7
349.19867	9.8
349.23712	68.8
350.24069	5.9
350.28983	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	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	24.6
55.01867	22.5
55.05513	41.2
56.96578	22.6
57.03437	19.9
65.03933	4.2
65.13210	2.8
67.05506	91.2
69.07071	63.5
70.76436	10.9
71.04971	5.4
71.95284	4.5
75.59077	2.9
79.05491	83.4
81.03426	32.0
81.07062	97.6
83.04988	15.1
83.08620	13.3
85.06548	5.1
91.05481	93.4
93.07041	77.8
95.01333	19.3
95.04953	27.1
95.08057	4.4
95.08613	57.9
97.06533	31.4
97.10175	3.5
105.07035	100.0
106.07346	4.1
107.04968	38.8
107.08601	39.7
109.06448	6.3
109.10140	15.4
111.04460	4.7
111.08099	3.8
115.05432	4.9
117.07014	32.3
119.08590	55.9
121.06538	10.6
121.10126	15.7
123.04431	6.1
123.08109	7.0
125.09627	7.9
129.07004	8.1
131.08562	42.5
133.06516	3.4
133.10130	78.1
135.08057	5.0
135.11688	13.1
137.09633	5.9
143.08543	11.3
145.06468	6.9
145.10121	29.4
147.11676	32.3
149.09631	19.3
149.13228	10.2
151.11171	5.2
157.10078	4.1
159.11699	25.2
161.09509	4.9
161.13246	8.8
163.11183	6.4
169.10133	6.3
171.11810	3.8
173.13297	10.1
177.12793	9.4
179.14334	22.1
183.11818	3.0
185.13158	3.9
187.11198	9.6
197.13310	5.3
199.06329	3.6
199.22537	3.0
202.90263	3.3
213.07852	7.0
217.07480	3.9
229.07492	11.8
231.09129	14.9
239.17989	4.2
243.09103	8.1
247.08464	6.2
247.20619	6.1
257.19025	9.6
261.10153	7.2
275.20050	60.4
285.09894	4.3
290.09314	2.9
330.16089	3.1
345.35696	3.5
349.17047	23.3
349.23651	34.3
350.23740	3.7
367.18207	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	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	14.7
55.01873	16.0
55.05513	33.7
55.68196	2.9
56.96565	9.6
57.03429	25.3
60.92153	3.0
61.02936	3.6
65.03951	2.9
67.05503	87.4
69.03423	6.9
69.07068	51.9
69.93748	8.9
69.94136	8.0
71.04999	3.6
77.03916	4.2
79.05489	81.5
81.03404	22.4
81.05675	2.8
81.07057	94.6
81.10449	2.8
83.04993	15.3
83.08613	9.3
84.59856	3.6
85.06516	4.7
88.70985	3.0
91.05476	86.1
93.07044	72.9
95.01327	12.8
95.04956	25.6
95.08604	61.3
97.02887	4.8
97.06539	23.5
97.10183	4.9
98.20924	5.0
101.02399	3.3
103.05433	4.5
105.07026	100.0
107.04967	30.9
107.08591	42.4
109.06522	9.8
109.10155	19.4
111.08069	6.9
115.05432	6.9
117.06996	25.9
119.08578	70.9
121.06496	7.5
121.10138	24.0
123.08047	11.8
123.11738	3.6
125.09613	4.0
127.59612	3.5
127.76225	3.6
129.06985	6.8
131.08549	38.5
133.10133	58.7
135.08057	9.3
135.11703	16.3
141.07010	4.7
143.08569	7.7
145.06506	5.7
145.10130	31.7
147.11687	28.9
149.09627	13.2
149.13235	11.7
157.10156	9.7
159.11696	28.6
161.13278	9.8
163.11217	10.1
169.10104	4.2
171.11667	8.4
173.13199	8.5
177.12772	10.1
179.14299	17.6
183.11813	4.7
187.11142	3.5
195.99492	3.3
197.13524	3.4
219.17444	11.7
229.19533	4.3
239.17958	5.6
243.08742	3.9
247.20543	6.6
257.18893	13.3
267.09213	11.1
269.10596	6.4
269.17557	5.0
275.20078	54.7
285.10114	33.0
286.10510	5.3
308.11581	5.4
331.15985	6.3
332.16531	3.6
349.16794	12.8
349.23718	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	10.4
55.01871	26.7
55.05510	51.4
56.96550	7.0
57.03441	30.7
57.07085	4.6
61.02907	3.7
63.53633	3.6
64.28107	3.4
65.03933	6.7
67.05181	5.5
67.05506	71.8
69.03412	8.2
69.07070	48.4
71.04990	7.5
75.02925	3.6
79.05492	100.0
81.03439	16.6
81.07058	84.3
83.04980	9.6
83.08611	18.1
85.06532	5.3
88.15163	3.5
91.05484	83.9
93.07045	72.0
95.04964	24.1
95.08601	50.2
97.06513	30.9
97.10154	13.4
105.07032	85.5
107.04953	25.1
107.08588	81.2
109.06526	11.1
109.10133	24.6
111.08063	6.7
117.07010	32.7
119.08583	54.9
121.06487	9.2
121.10145	23.2
123.08047	8.3
123.11703	6.6
125.09618	12.5
128.06259	5.4
129.06993	11.8
131.08566	41.0
133.10139	46.9
135.08015	9.3
135.11684	14.7
141.07010	5.5
143.08531	13.5
145.10121	65.3
147.11673	35.3
149.08571	3.4
149.09621	26.1
149.13240	9.7
155.08575	4.2
157.10098	13.1
159.11710	25.4
161.09647	4.4
161.13239	14.8
163.11133	7.7
169.10081	6.7
171.11694	11.5
173.13255	14.5
175.11121	4.4
177.12701	6.5
179.14330	4.2
183.11676	7.5
185.13330	5.7
187.11157	3.9
189.11206	7.0
195.11719	9.2
195.13483	3.5
197.13266	6.6
229.19435	5.6
239.17915	13.0
257.18988	39.8
267.08798	7.9
268.09302	4.8
275.20044	56.7
276.20389	4.1
285.10080	14.3
314.39789	3.5
331.22552	4.3
349.19885	44.4
349.23709	51.1
350.26904	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	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	23.8
55.01875	24.2
55.05299	2.6
55.05519	25.7
56.96567	3.0
57.03432	23.0
65.03916	3.0
65.46735	2.8
67.05508	81.1
69.03424	5.5
69.07070	73.4
70.26098	11.6
71.04987	3.7
79.05492	71.9
80.05849	2.8
81.03422	37.2
81.07058	100.0
83.04995	18.5
83.08617	17.1
85.06548	3.3
91.05481	91.1
93.07043	63.4
95.01333	19.9
95.04964	22.2
95.08614	60.2
95.21323	2.5
97.06544	37.1
97.10171	4.0
98.98459	3.6
99.08103	3.6
99.11768	2.5
103.05454	4.6
105.07030	91.1
107.04954	45.9
107.08597	34.1
109.06518	9.2
109.10169	15.2
111.08064	5.9
117.07020	29.9
117.99694	2.5
119.05022	2.8
119.08587	55.6
121.06506	8.2
121.10182	14.1
123.04404	3.6
123.07327	3.0
123.08051	16.2
125.09620	3.3
129.07001	5.5
131.08569	36.5
133.06473	3.7
133.10130	63.0
133.69725	2.2
135.08041	7.5
135.11696	14.5
137.09596	3.7
141.06982	5.9
143.08569	7.1
145.06465	6.2
145.10123	32.5
147.11678	23.0
149.09601	9.8
149.13257	13.7
151.11177	5.1
155.01071	8.3
157.10098	4.9
159.11699	25.5
161.09639	3.8
161.13232	12.3
163.11159	7.7
165.09193	5.1
169.10133	3.7
171.11781	6.3
173.13297	7.5
177.12776	12.2
179.14331	32.7
187.11194	9.0
195.13910	3.5
197.13292	5.1
205.12189	3.8
229.19473	4.5
232.55492	2.8
240.12956	3.0
241.14470	3.5
247.20586	4.9
257.19043	10.2
267.09097	2.8
269.10623	5.4
275.20081	53.4
285.09930	4.1
287.11627	3.9
349.19821	8.1
349.23758	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	349.1984
Annotation	(plusmn)-JWH 073 N-(3-hydroxybutyl) metabolite-d5
Peak:m/z	Relative Intensity
53.51673	1.1
55.05498	1.8
56.96564	1.6
67.05493	4.2
69.07059	1.7
69.28852	13.3
72.04498	2.7
79.05486	3.5
81.07038	5.4
83.08608	1.4
86.68527	1.1
91.05476	4.2
91.42168	1.1
93.07034	4.5
95.08603	2.9
98.26957	1.2
105.07039	3.8
105.44183	1.1
107.08572	2.6
111.04211	1.3
117.06993	1.7
119.08508	1.2
121.10133	1.8
123.08054	2.4
131.08580	1.6
133.10175	2.1
145.10156	1.7
149.13258	1.5
154.55380	1.2
155.00980	1.7
179.14290	2.1
219.10846	1.1
234.18576	1.5
253.12946	1.8
261.14584	8.8
275.19901	2.4
305.22232	1.6
349.19873	100.0
349.27246	3.5
350.20166	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	349.2008
Annotation	Gibberellin A110
Peak:m/z	Relative Intensity
51.07425	2.3
55.05516	5.4
59.05024	2.0
61.50429	2.1
67.05490	8.1
69.07049	7.1
69.75674	13.0
79.05475	11.3
81.07055	29.2
86.09700	2.4
91.05472	12.5
93.07027	16.7
95.04971	3.5
95.08599	22.0
97.06515	4.7
97.10168	3.5
105.07020	24.4
107.04947	5.5
107.08614	15.4
109.02847	2.1
109.06505	4.3
109.10133	19.2
117.07008	4.6
119.07924	2.2
119.08593	22.6
121.06499	7.6
121.10148	6.2
121.74427	2.2
124.26860	2.3
129.06958	5.8
130.06573	3.7
131.08553	17.7
133.06488	3.4
133.10115	14.9
135.08102	5.2
135.11676	4.1
137.09602	9.6
141.06987	3.8
142.07793	3.8
143.08546	12.8
145.10118	21.2
147.08034	8.0
147.11696	9.6
149.05954	2.7
149.09563	2.4
151.03883	2.9
153.01874	3.0
155.08511	12.0
157.07542	3.1
157.10118	22.7
159.08051	3.2
159.11697	30.0
161.05879	2.7
161.09608	5.1
161.13261	7.0
163.07576	2.7
168.09372	5.2
169.10117	28.8
171.11674	18.0
173.09628	6.8
173.13271	16.2
175.11159	4.7
177.05386	2.7
177.09096	4.9
181.10120	5.3
182.10736	3.8
183.11679	28.8
185.13234	8.3
187.11212	9.3
187.14799	5.1
195.11717	6.1
196.12541	4.5
197.13271	14.8
199.11172	3.8
199.14804	7.6
201.12723	5.5
203.10724	3.6
205.12224	5.8
209.13272	8.2
210.13971	3.8
211.11180	5.5
211.14748	11.8
213.12859	2.6
213.16415	8.8
215.14316	4.0
215.17937	7.2
217.12270	6.7
223.14792	4.9
225.16359	38.1
227.14204	5.0
227.17896	11.1
229.12093	5.0
229.15834	4.1
229.19542	8.1
237.16389	4.6
239.14272	3.1
239.17906	28.5
243.17468	7.1
247.13216	21.3
249.16389	6.7
253.15868	2.9
255.17516	10.8
257.18991	32.3
259.16968	4.5
267.17419	36.7
271.16907	18.4
272.11325	2.9
273.12283	3.1
273.18451	7.5
275.19983	5.2
283.17087	3.6
285.18478	100.0
286.18768	3.3
295.17023	4.6
301.17987	3.9
303.19528	85.2
304.19742	3.4
313.17892	10.2
321.08395	2.7
331.12854	3.9
331.19009	53.1
331.22672	4.5
347.61249	2.7
349.20087	39.7
365.32092	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	349.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.01873	2.2
55.05510	8.5
56.96568	6.4
57.03438	8.0
67.05506	20.5
68.45509	0.9
69.03429	1.1
69.07070	12.2
70.97185	1.1
71.04984	2.4
71.58898	1.5
79.05496	16.8
81.03415	3.6
81.07055	25.8
83.04991	3.7
83.08613	4.3
85.02930	1.4
85.06532	1.8
85.96805	0.9
91.05480	15.3
93.07043	18.7
95.04972	4.4
95.08620	12.4
97.02940	1.9
97.06538	4.1
98.98465	6.2
99.08073	1.7
105.07030	13.9
107.04952	3.1
107.08604	14.1
109.02851	1.5
109.06533	3.6
109.10173	4.9
111.08089	1.8
113.00027	8.3
114.85014	1.0
115.05481	1.2
115.41850	0.9
116.98592	1.5
117.07024	6.2
119.08585	13.7
121.06528	2.1
121.10162	6.2
123.08150	1.1
123.11622	1.1
125.09595	1.3
129.06990	2.0
131.08569	8.7
133.10110	9.0
135.08099	1.6
135.11687	4.6
137.05769	3.8
143.08553	2.3
145.10114	8.8
147.11711	3.5
149.09613	3.7
149.13289	5.1
151.11217	1.6
155.01033	7.2
157.10161	3.0
159.11671	7.0
161.13222	1.8
163.11183	3.7
164.31570	1.0
169.02657	6.9
169.10188	1.6
171.11789	1.4
173.13301	3.2
177.12775	2.8
183.11694	1.3
185.13419	1.1
197.13264	1.0
221.11542	1.8
235.13068	1.7
239.18111	1.9
241.11259	1.7
247.20541	2.0
257.19113	4.1
259.12308	2.1
267.09082	1.1
275.20071	13.1
285.10150	3.8
293.21426	1.5
303.11230	1.2
349.19897	100.0
349.23788	13.3
350.20172	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51263	3.6
51.33084	3.6
51.42785	3.3
52.64867	3.8
53.03923	3.8
55.01877	5.7
55.05510	13.7
56.96566	100.0
57.03435	17.4
67.05505	26.5
69.07073	25.2
71.59256	5.4
71.95271	8.2
79.05486	30.6
81.07060	44.9
83.04987	7.4
83.08609	9.7
91.05485	33.1
93.07043	33.7
95.04981	10.6
95.08601	26.3
97.06555	9.8
98.97570	5.3
98.98473	6.6
105.07013	26.7
107.04964	6.8
107.08595	25.0
109.06519	5.7
109.10182	7.7
117.07053	12.7
119.08611	23.6
121.10169	9.8
123.08116	4.1
128.98637	7.9
129.07042	5.0
131.08583	13.0
133.10135	16.0
135.11726	5.1
143.08577	7.3
145.10155	9.1
146.99678	14.0
147.11685	11.4
149.09641	5.7
149.13251	6.8
155.01067	8.5
157.01750	6.2
159.11690	11.2
161.13380	4.3
171.03343	11.5
177.12740	4.3
179.14316	4.1
185.04863	10.2
187.02733	5.7
189.04395	13.6
199.06465	14.3
203.05975	15.3
211.06436	6.4
213.07986	9.2
217.07547	21.4
225.08101	7.4
231.09117	12.5
237.08038	7.5
239.09511	5.7
241.11069	4.7
243.09117	6.7
245.10699	9.8
251.09567	6.2
255.09026	36.8
257.19052	5.3
267.09045	39.9
269.10602	51.3
273.10114	26.8
275.20050	31.8
285.10080	61.8
287.11581	25.5
290.10965	5.1
292.12326	7.8
303.11185	12.9
308.11670	8.0
331.15836	17.3
349.16895	57.0
349.23788	10.5
350.17188	5.7
367.17892	24.2
372.18381	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.2
55.01870	11.7
55.05513	19.4
56.96557	1.9
57.03436	18.2
59.05009	0.9
65.03941	2.5
67.05505	48.6
69.03423	3.1
69.07066	28.2
69.90977	0.9
71.04995	2.9
71.42216	0.9
71.58852	1.7
79.05494	51.7
81.03420	5.4
81.07058	70.1
83.04979	6.9
83.08607	8.0
85.06541	1.9
91.05482	53.0
92.05801	1.1
93.07045	45.4
93.54786	1.0
95.04967	9.6
95.08606	28.7
97.06525	14.0
97.10172	4.3
98.98463	2.5
99.08098	1.7
103.05468	1.9
105.07034	58.7
107.04957	7.7
107.08597	32.4
109.06536	11.4
109.10172	13.7
111.08080	3.5
115.05453	2.4
117.07020	21.2
119.08585	40.1
121.06531	5.2
121.10149	18.6
123.08107	5.3
123.11706	3.8
125.09646	3.2
128.06261	2.2
129.06993	7.8
130.07796	2.2
131.08571	29.9
133.06552	1.8
133.10132	32.3
135.08064	6.6
135.11684	10.3
137.09625	4.4
141.06982	2.5
143.08603	6.3
144.09323	1.4
145.10124	32.3
147.07990	2.3
147.11699	20.0
149.09616	10.3
149.13206	5.9
151.11174	4.0
155.01060	1.4
155.08540	2.5
157.10138	7.4
159.11699	21.1
161.09555	1.9
161.13252	7.8
163.11197	5.8
163.14861	2.5
165.09166	1.5
165.12743	2.2
167.03392	1.1
169.10156	4.6
171.11642	5.7
173.09702	1.5
173.13304	10.1
175.11179	2.1
177.12738	3.6
179.10587	1.4
179.14398	2.8
183.11700	4.9
185.13289	3.0
187.11215	2.2
187.14804	2.5
189.12814	1.8
191.14313	1.4
193.12389	1.1
197.13286	3.3
199.14859	1.3
201.16359	1.8
213.16466	1.3
215.14413	1.3
215.17998	2.1
229.19560	5.7
239.17952	6.8
247.20630	3.7
257.19043	19.6
267.09265	1.2
275.20065	40.3
276.20370	1.7
293.21155	2.2
331.22580	2.0
349.19818	100.0
349.23795	47.4
350.20151	4.2
350.23682	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.5
55.01871	8.6
55.05515	20.8
56.96565	100.0
57.03433	14.3
59.48405	4.8
67.05506	49.6
69.07070	30.3
70.32526	19.6
71.95256	15.6
79.05491	47.5
81.03401	5.7
81.07056	56.0
83.04956	4.9
83.08633	13.6
91.05479	42.0
93.07036	48.0
95.04996	8.7
95.08615	30.0
97.06538	8.4
98.21405	6.3
105.07022	34.9
107.04989	11.1
107.08602	36.3
109.06538	12.1
109.10178	11.5
111.08064	6.9
117.07012	13.3
119.08548	27.4
121.10159	16.1
123.11666	5.0
128.98602	10.9
131.08591	22.4
133.10150	17.8
135.11703	6.8
137.02719	5.6
145.10156	16.0
146.99669	13.7
147.11713	12.4
149.09630	10.0
151.11140	5.0
157.10226	6.3
159.11734	13.3
163.11176	10.0
163.63271	5.4
169.05363	5.9
171.03337	7.8
173.13203	8.2
185.04898	9.8
189.04401	16.8
199.06421	14.4
203.05923	11.8
207.05365	5.0
213.08022	16.5
217.07518	16.5
225.08020	5.3
227.09639	7.5
229.07487	14.4
231.09070	20.7
239.09518	10.1
243.09023	13.9
247.08586	8.0
249.07913	5.9
251.09654	7.7
255.09038	21.4
257.18924	8.5
267.08969	30.1
269.10577	50.8
273.09961	23.3
275.20084	48.2
285.10144	62.3
287.11664	25.7
303.11111	7.0
331.15866	18.7
340.72729	5.4
349.16766	45.6
349.23703	19.2
349.27509	8.4
367.17871	29.6
372.18552	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.0
55.01871	21.5
55.05507	14.2
56.96298	4.0
56.96567	66.5
57.03428	11.1
60.45133	2.1
65.03923	3.8
67.05507	39.1
69.03426	4.1
69.07073	24.9
71.04983	3.5
71.58995	4.0
71.95258	6.4
79.05499	43.0
81.03408	7.2
81.07058	44.6
83.04988	4.2
83.08614	10.2
88.52518	2.6
90.73928	2.3
91.05492	38.6
93.07044	37.9
95.04961	12.9
95.08610	24.4
97.06539	39.7
97.10148	2.6
105.07040	35.3
107.04955	13.5
107.08585	22.9
109.06525	7.7
109.10172	8.5
110.97612	4.2
115.05489	2.5
117.07006	10.9
119.08579	28.0
121.06490	4.1
121.10139	9.9
123.01221	4.1
123.08097	5.8
125.09642	3.1
128.98608	10.0
129.07034	5.8
131.08574	19.0
133.02829	3.4
133.10114	19.3
135.11682	10.2
137.02783	2.9
137.09633	3.7
139.07602	2.8
141.02344	3.0
143.08598	4.4
145.10159	14.7
146.99681	13.6
147.08064	2.5
147.11691	10.7
149.09627	7.6
149.13275	4.2
155.03735	2.8
155.08524	3.3
159.11723	12.7
160.03954	38.6
161.13177	5.6
163.11194	7.9
165.00681	5.9
169.01677	4.5
169.05339	3.1
171.03287	5.8
173.04852	5.0
173.13309	4.3
179.14323	7.8
183.11736	3.0
185.04858	3.6
187.02846	6.0
187.11191	3.1
189.04358	3.5
199.06441	5.2
202.08664	10.0
203.05927	6.8
211.02890	2.5
217.07501	9.5
225.07941	3.4
229.07318	3.8
229.19479	3.6
239.09560	5.5
243.09076	4.2
247.20450	4.2
251.09569	5.7
253.11182	3.2
255.09050	9.0
257.18982	5.7
269.10532	6.2
273.10074	7.6
275.20096	28.1
277.11176	11.1
279.12613	3.9
280.09796	3.4
281.10608	8.5
295.12158	5.5
299.11835	4.5
331.15817	61.6
349.12503	4.5
349.16873	100.0
349.23419	23.0
350.17206	6.6
367.17920	20.5
372.18457	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	349.1775
Annotation	Funebrine
Peak:m/z	Relative Intensity
51.28999	1.3
52.45370	1.3
54.26811	1.1
55.01886	1.2
56.96564	81.0
57.03440	1.6
64.07928	1.2
67.05479	2.9
69.07059	2.2
70.46535	1.9
70.46883	4.6
71.95259	7.8
72.96038	2.7
74.52970	1.4
74.97607	1.8
79.05464	2.8
81.07063	3.6
84.96024	3.3
91.05456	4.5
93.07043	2.1
95.08625	1.9
97.06534	2.3
105.07007	2.7
107.08579	2.3
110.97578	2.7
119.08519	1.6
123.01173	3.3
128.98592	9.7
133.10141	1.8
134.99579	1.5
137.02730	2.1
141.02216	2.3
146.99655	11.5
147.03297	3.2
155.03798	4.4
159.03250	2.7
159.11717	1.8
160.03979	9.6
161.01195	2.9
165.00702	2.6
169.01682	5.6
169.05348	2.0
171.03267	3.4
173.04875	3.1
175.02846	1.7
177.05722	1.7
181.01579	1.8
181.05345	1.7
183.03281	2.1
185.04800	2.3
187.02771	6.0
189.04323	3.8
191.05766	1.8
195.03056	1.4
195.06990	1.4
197.01169	1.6
197.04903	1.9
199.06410	4.4
201.04468	2.5
202.08626	1.9
203.05853	4.4
203.07504	1.8
206.78467	1.4
211.06395	1.6
215.05864	1.9
217.07449	5.9
221.08540	2.7
225.07962	2.0
231.08917	3.5
235.06372	1.7
237.07983	2.0
239.09538	3.9
243.09067	1.9
245.10576	1.9
249.07837	1.3
251.09424	7.0
253.11073	2.3
255.09151	2.6
257.10565	3.9
259.10016	1.9
263.09589	4.7
265.11145	1.9
269.10574	6.0
275.09534	2.4
275.20053	2.2
277.11121	16.1
279.12634	6.1
281.10626	13.1
283.12219	1.9
285.34521	1.3
291.12527	1.6
295.12195	8.3
297.13736	2.6
299.11685	6.9
304.12012	1.8
331.15781	61.1
331.19788	2.9
332.16107	3.7
349.13550	4.0
349.16833	100.0
350.17093	4.8
354.17517	1.6
367.17880	16.7
372.18521	15.2
373.18716	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
55.01862	2.1
55.05497	4.6
56.96563	61.3
57.03424	3.3
59.52096	0.9
61.02914	1.2
65.03909	1.0
65.09062	0.9
67.05502	13.7
69.03414	1.9
69.07063	7.9
71.04977	1.6
71.95255	6.9
72.96028	1.7
74.97612	2.0
75.15840	0.9
79.05065	1.6
79.05490	21.2
81.03383	2.1
81.07053	12.9
83.04990	1.0
83.08598	2.3
84.96043	1.5
85.02892	1.1
91.03928	1.5
91.05476	13.8
93.07033	9.8
95.04967	3.2
95.08606	8.6
97.02888	1.6
97.06517	3.3
97.10117	1.6
98.97568	3.3
100.99173	1.2
104.84760	1.1
105.07027	11.8
107.04939	1.3
107.08601	7.8
109.06510	1.5
109.10136	3.4
110.97589	4.6
115.00575	1.0
116.98587	3.7
117.07004	2.8
119.08556	8.9
121.01754	1.5
121.06499	1.1
121.10090	2.3
121.54134	1.0
123.01161	2.6
128.98605	12.3
131.08568	4.3
133.01675	1.8
133.10123	6.4
134.99628	4.9
135.08083	1.1
135.11679	1.3
137.02763	2.1
141.02219	2.0
143.00142	1.5
145.01711	2.2
145.10109	3.7
146.99648	21.3
147.11693	2.9
149.01192	1.7
149.09622	2.4
149.13240	2.5
152.00090	1.4
153.02261	1.1
155.03841	3.1
159.03290	1.8
159.11659	4.2
161.01210	5.4
161.04813	1.1
161.13254	1.3
165.00743	4.8
165.02150	1.0
165.12703	1.2
167.03731	1.1
169.01704	2.0
170.01164	1.9
171.03328	5.0
171.11761	1.3
173.04877	5.2
175.02783	1.7
177.04326	1.6
177.12648	1.4
179.02283	2.5
181.05365	1.9
183.03368	2.5
185.04851	4.6
187.06487	1.5
189.00691	1.1
189.04327	9.8
191.05916	3.7
193.03854	1.6
195.06934	1.9
197.04695	1.6
197.08553	1.5
198.01971	1.2
199.02719	1.9
199.06422	8.6
201.04390	1.9
201.07945	1.4
203.05873	7.6
204.03008	1.1
205.01602	1.2
205.07446	5.6
210.01865	1.3
211.02769	1.6
211.06422	2.0
213.07964	6.2
215.05923	1.6
215.09457	2.0
217.07489	17.7
221.06822	1.2
223.02785	10.8
223.06442	1.9
223.08398	7.2
225.04327	3.2
225.08028	3.7
227.06015	2.2
229.07533	4.5
229.68643	1.4
231.09058	10.7
237.04262	4.0
237.08009	1.8
239.09813	1.3
241.03949	2.7
241.11220	2.8
243.09047	19.6
244.09599	1.5
247.08493	2.6
251.09485	1.4
253.07275	1.7
253.11000	2.3
254.10681	1.2
255.09052	8.9
257.19122	1.8
259.12238	5.4
261.07782	1.5
261.10114	15.6
262.08716	3.3
266.10608	2.5
267.09103	1.2
269.10632	7.0
269.17484	1.6
271.12189	1.7
273.10220	6.0
275.20026	7.6
279.08997	6.0
280.09796	14.6
281.10611	1.3
285.10144	3.9
286.10779	1.3
287.11618	4.6
295.08533	2.8
297.10114	6.1
298.10840	7.0
299.11652	2.0
303.11389	4.0
319.15787	1.7
321.17429	3.5
331.15793	51.2
349.16858	100.0
349.23758	7.7
350.17288	1.8
367.13782	1.8
367.17957	26.3
372.18478	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	349.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
55.01862	2.1
55.05497	4.6
56.96563	61.3
57.03424	3.3
59.52096	0.9
61.02914	1.2
65.03909	1.0
65.09062	0.9
67.05502	13.7
69.03414	1.9
69.07063	7.9
71.04977	1.6
71.95255	6.9
72.96028	1.7
74.97612	2.0
75.15840	0.9
79.05065	1.6
79.05490	21.2
81.03383	2.1
81.07053	12.9
83.04990	1.0
83.08598	2.3
84.96043	1.5
85.02892	1.1
91.03928	1.5
91.05476	13.8
93.07033	9.8
95.04967	3.2
95.08606	8.6
97.02888	1.6
97.06517	3.3
97.10117	1.6
98.97568	3.3
100.99173	1.2
104.84760	1.1
105.07027	11.8
107.04939	1.3
107.08601	7.8
109.06510	1.5
109.10136	3.4
110.97589	4.6
115.00575	1.0
116.98587	3.7
117.07004	2.8
119.08556	8.9
121.01754	1.5
121.06499	1.1
121.10090	2.3
121.54134	1.0
123.01161	2.6
128.98605	12.3
131.08568	4.3
133.01675	1.8
133.10123	6.4
134.99628	4.9
135.08083	1.1
135.11679	1.3
137.02763	2.1
141.02219	2.0
143.00142	1.5
145.01711	2.2
145.10109	3.7
146.99648	21.3
147.11693	2.9
149.01192	1.7
149.09622	2.4
149.13240	2.5
152.00090	1.4
153.02261	1.1
155.03841	3.1
159.03290	1.8
159.11659	4.2
161.01210	5.4
161.04813	1.1
161.13254	1.3
165.00743	4.8
165.02150	1.0
165.12703	1.2
167.03731	1.1
169.01704	2.0
170.01164	1.9
171.03328	5.0
171.11761	1.3
173.04877	5.2
175.02783	1.7
177.04326	1.6
177.12648	1.4
179.02283	2.5
181.05365	1.9
183.03368	2.5
185.04851	4.6
187.06487	1.5
189.00691	1.1
189.04327	9.8
191.05916	3.7
193.03854	1.6
195.06934	1.9
197.04695	1.6
197.08553	1.5
198.01971	1.2
199.02719	1.9
199.06422	8.6
201.04390	1.9
201.07945	1.4
203.05873	7.6
204.03008	1.1
205.01602	1.2
205.07446	5.6
210.01865	1.3
211.02769	1.6
211.06422	2.0
213.07964	6.2
215.05923	1.6
215.09457	2.0
217.07489	17.7
221.06822	1.2
223.02785	10.8
223.06442	1.9
223.08398	7.2
225.04327	3.2
225.08028	3.7
227.06015	2.2
229.07533	4.5
229.68643	1.4
231.09058	10.7
237.04262	4.0
237.08009	1.8
239.09813	1.3
241.03949	2.7
241.11220	2.8
243.09047	19.6
244.09599	1.5
247.08493	2.6
251.09485	1.4
253.07275	1.7
253.11000	2.3
254.10681	1.2
255.09052	8.9
257.19122	1.8
259.12238	5.4
261.07782	1.5
261.10114	15.6
262.08716	3.3
266.10608	2.5
267.09103	1.2
269.10632	7.0
269.17484	1.6
271.12189	1.7
273.10220	6.0
275.20026	7.6
279.08997	6.0
280.09796	14.6
281.10611	1.3
285.10144	3.9
286.10779	1.3
287.11618	4.6
295.08533	2.8
297.10114	6.1
298.10840	7.0
299.11652	2.0
303.11389	4.0
319.15787	1.7
321.17429	3.5
331.15793	51.2
349.16858	100.0
349.23758	7.7
350.17288	1.8
367.13782	1.8
367.17957	26.3
372.18478	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	349.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89446	1.0
53.03943	2.0
55.01875	1.3
55.05513	10.3
56.46742	1.0
57.03434	1.5
57.07070	1.5
59.04984	2.2
61.30361	1.2
65.03951	1.6
67.05515	9.8
69.03422	2.2
69.07070	5.7
71.04996	14.0
71.26353	1.5
71.26691	1.3
71.65205	1.0
79.05492	10.8
81.03407	1.1
81.07060	13.1
83.04983	2.9
83.08615	1.4
85.02924	1.9
85.06538	1.8
91.05484	24.4
93.07047	18.4
95.04967	3.9
95.08619	9.4
95.70387	0.9
97.06538	2.1
98.98447	3.4
99.04446	5.2
99.76251	1.0
103.05448	2.3
105.07031	54.2
107.04932	1.5
107.08603	16.8
109.06554	2.4
109.10143	1.9
111.04415	1.1
111.08088	1.3
113.06033	1.7
115.05474	4.4
116.06236	1.9
117.07019	17.4
119.08566	8.7
121.06532	3.0
121.10151	3.7
123.08064	1.6
128.06224	10.6
129.07011	14.5
130.07790	22.6
131.08583	21.5
132.09329	1.3
133.06552	1.2
133.10141	13.0
135.08020	1.5
135.11688	2.4
137.05945	1.2
139.03999	1.2
141.07021	3.7
142.07782	18.6
143.08563	37.7
144.09352	3.0
145.10123	100.0
146.10893	1.4
147.08055	1.1
147.11691	3.6
149.09555	1.3
149.13177	1.8
151.07541	2.8
153.01802	1.3
155.01053	2.8
155.08585	6.6
156.09384	9.8
157.10126	46.6
158.10933	2.0
159.04514	1.0
159.08107	1.3
159.11736	6.3
159.12856	1.0
161.25737	1.0
163.07599	1.2
163.11157	1.1
165.09215	1.8
167.07094	1.9
167.08549	1.2
169.10156	3.4
170.10925	11.7
171.11707	11.8
173.13268	1.2
179.08540	1.6
181.10019	1.4
183.11728	2.4
185.09676	1.9
185.13260	46.3
186.13937	1.6
189.09201	1.4
194.10898	1.5
197.86183	1.1
199.14833	11.6
203.14359	1.5
209.13269	2.8
212.12042	1.2
227.14279	7.2
245.15370	41.6
246.15778	1.2
257.19003	1.6
275.64117	1.1
349.16449	3.5
349.20059	1.7
349.23898	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
55.01862	2.1
55.05497	4.6
56.96563	61.3
57.03424	3.3
59.52096	0.9
61.02914	1.2
65.03909	1.0
65.09062	0.9
67.05502	13.7
69.03414	1.9
69.07063	7.9
71.04977	1.6
71.95255	6.9
72.96028	1.7
74.97612	2.0
75.15840	0.9
79.05065	1.6
79.05490	21.2
81.03383	2.1
81.07053	12.9
83.04990	1.0
83.08598	2.3
84.96043	1.5
85.02892	1.1
91.03928	1.5
91.05476	13.8
93.07033	9.8
95.04967	3.2
95.08606	8.6
97.02888	1.6
97.06517	3.3
97.10117	1.6
98.97568	3.3
100.99173	1.2
104.84760	1.1
105.07027	11.8
107.04939	1.3
107.08601	7.8
109.06510	1.5
109.10136	3.4
110.97589	4.6
115.00575	1.0
116.98587	3.7
117.07004	2.8
119.08556	8.9
121.01754	1.5
121.06499	1.1
121.10090	2.3
121.54134	1.0
123.01161	2.6
128.98605	12.3
131.08568	4.3
133.01675	1.8
133.10123	6.4
134.99628	4.9
135.08083	1.1
135.11679	1.3
137.02763	2.1
141.02219	2.0
143.00142	1.5
145.01711	2.2
145.10109	3.7
146.99648	21.3
147.11693	2.9
149.01192	1.7
149.09622	2.4
149.13240	2.5
152.00090	1.4
153.02261	1.1
155.03841	3.1
159.03290	1.8
159.11659	4.2
161.01210	5.4
161.04813	1.1
161.13254	1.3
165.00743	4.8
165.02150	1.0
165.12703	1.2
167.03731	1.1
169.01704	2.0
170.01164	1.9
171.03328	5.0
171.11761	1.3
173.04877	5.2
175.02783	1.7
177.04326	1.6
177.12648	1.4
179.02283	2.5
181.05365	1.9
183.03368	2.5
185.04851	4.6
187.06487	1.5
189.00691	1.1
189.04327	9.8
191.05916	3.7
193.03854	1.6
195.06934	1.9
197.04695	1.6
197.08553	1.5
198.01971	1.2
199.02719	1.9
199.06422	8.6
201.04390	1.9
201.07945	1.4
203.05873	7.6
204.03008	1.1
205.01602	1.2
205.07446	5.6
210.01865	1.3
211.02769	1.6
211.06422	2.0
213.07964	6.2
215.05923	1.6
215.09457	2.0
217.07489	17.7
221.06822	1.2
223.02785	10.8
223.06442	1.9
223.08398	7.2
225.04327	3.2
225.08028	3.7
227.06015	2.2
229.07533	4.5
229.68643	1.4
231.09058	10.7
237.04262	4.0
237.08009	1.8
239.09813	1.3
241.03949	2.7
241.11220	2.8
243.09047	19.6
244.09599	1.5
247.08493	2.6
251.09485	1.4
253.07275	1.7
253.11000	2.3
254.10681	1.2
255.09052	8.9
257.19122	1.8
259.12238	5.4
261.07782	1.5
261.10114	15.6
262.08716	3.3
266.10608	2.5
267.09103	1.2
269.10632	7.0
269.17484	1.6
271.12189	1.7
273.10220	6.0
275.20026	7.6
279.08997	6.0
280.09796	14.6
281.10611	1.3
285.10144	3.9
286.10779	1.3
287.11618	4.6
295.08533	2.8
297.10114	6.1
298.10840	7.0
299.11652	2.0
303.11389	4.0
319.15787	1.7
321.17429	3.5
331.15793	51.2
349.16858	100.0
349.23758	7.7
350.17288	1.8
367.13782	1.8
367.17957	26.3
372.18478	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	349.1391
Annotation	Achillamide
Peak:m/z	Relative Intensity
53.03938	2.4
55.05505	3.4
60.04255	2.0
60.04525	22.6
67.05480	6.7
69.03439	2.8
71.05003	2.8
71.58704	3.6
79.05476	4.5
79.83892	1.7
81.03442	4.1
81.07028	6.9
81.07498	2.1
82.07395	2.2
83.04955	2.9
83.08621	1.9
85.02889	8.9
90.30924	1.8
91.05470	5.9
93.07029	5.5
95.04922	2.3
95.08603	3.5
99.04443	8.2
100.11239	6.4
103.03924	7.8
105.07039	5.0
107.08570	3.4
109.02852	9.2
115.05441	5.3
117.07005	2.8
118.06538	19.3
119.08591	3.3
121.06528	2.3
121.10120	2.1
123.04436	2.2
126.05527	3.2
127.00003	3.6
127.03902	7.8
130.06523	76.1
131.08527	2.4
132.08081	16.6
133.10065	2.9
135.04425	2.5
137.05951	4.6
142.06519	8.9
143.07246	3.2
144.08070	12.2
145.10078	2.9
146.06015	63.9
151.03937	3.6
151.99620	1.9
157.10028	1.7
159.09180	42.0
160.07596	2.8
166.05074	2.3
170.05988	21.1
174.34387	1.7
177.05411	2.2
183.06381	2.2
185.07133	26.1
187.08665	5.4
188.07068	100.0
189.07428	3.6
191.07971	2.5
193.91681	2.2
205.09749	16.4
210.14865	2.8
227.17508	2.6
231.07660	4.9
243.11398	2.6
245.07794	6.0
249.10310	4.9
263.08936	5.4
267.11282	24.2
276.72766	2.5
285.12207	11.1
289.11731	5.1
295.10727	9.8
299.09705	2.2
303.13474	4.7
305.09814	4.9
306.14328	4.8
313.11786	7.0
313.25864	3.3
331.12952	5.2
331.26645	9.6
343.30826	2.0
349.08936	49.3
349.13193	4.7
349.21356	7.1
349.27908	13.2
350.09216	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1391
Annotation	Achillamide
Peak:m/z	Relative Intensity
50.06835	0.7
55.01867	2.6
55.05508	0.9
56.05011	0.9
61.77092	0.8
62.01940	0.8
67.05507	1.1
69.07070	3.0
70.06589	1.5
70.87921	2.3
79.05509	1.5
83.15625	0.9
91.05475	1.1
96.04502	1.0
105.06994	0.8
107.08583	1.0
108.04462	1.4
110.06039	1.3
122.06044	2.0
122.33297	0.8
123.04364	1.4
124.03956	1.2
126.06774	0.9
135.08012	1.5
136.03876	1.1
137.06042	1.1
139.03893	1.0
140.07056	4.7
143.00163	0.8
152.07030	0.9
153.09200	0.8
154.05017	0.8
158.05936	0.9
162.05507	2.4
162.09142	0.8
164.07027	1.7
170.09659	1.3
175.08699	2.5
177.05338	1.0
177.06741	1.3
178.08606	7.6
181.04980	1.3
186.09204	1.6
188.12923	1.0
190.05157	1.0
198.09122	1.3
199.08665	1.8
200.02213	0.9
201.10205	1.8
202.08829	1.0
203.08192	2.8
203.11792	1.2
211.08780	1.8
211.12411	0.9
214.08830	1.1
215.08228	3.3
215.11810	3.4
216.10281	1.0
217.09708	6.8
225.10243	2.1
226.08589	1.7
228.10390	1.2
229.09726	2.7
231.07750	1.3
231.11163	3.9
239.11826	3.3
240.10216	1.2
241.09763	1.7
243.07567	1.7
243.11299	6.0
244.09741	1.3
245.12901	1.4
255.11426	1.5
256.09857	1.2
257.09363	2.9
257.12741	4.8
259.10745	1.4
261.12329	1.2
267.11212	5.0
271.10809	10.0
273.12341	7.8
285.12347	8.1
286.11038	1.0
289.11786	6.4
295.10870	3.0
301.11823	2.0
303.13297	4.7
313.11761	8.4
319.12885	23.1
321.14520	3.2
331.08887	1.3
331.12842	17.9
332.13019	1.2
349.13940	100.0
350.14545	4.1
354.60419	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1392
Annotation	Achillamide
Peak:m/z	Relative Intensity
55.05297	1.5
55.05510	15.5
55.96521	1.7
59.04997	1.7
68.64147	1.7
70.06595	4.2
70.75546	4.3
83.04975	12.6
86.09702	3.4
91.05469	1.4
94.06570	2.9
94.17072	1.4
95.01890	1.5
99.04381	1.3
100.07644	1.8
100.11234	3.4
101.06014	16.4
104.28842	1.6
111.04434	9.8
115.05508	1.5
128.07072	2.1
129.05455	5.3
130.06525	68.5
132.04453	22.1
132.08064	5.2
142.06476	3.1
153.01836	1.7
157.07614	100.0
158.06010	51.2
159.09174	21.2
175.08675	57.4
182.15410	2.0
185.07097	9.5
186.05486	3.3
203.08170	57.0
204.08490	1.7
215.09529	1.8
216.82452	1.6
221.09200	24.5
267.11389	9.4
269.12823	4.4
276.72922	3.1
285.12360	1.9
287.13931	4.0
295.10706	2.0
313.11777	6.0
331.12845	7.5
349.14310	2.1
362.96960	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.7
61.14031	0.7
67.05489	1.2
69.03413	0.6
69.67347	3.8
74.18610	0.6
79.05495	1.2
81.07070	0.8
91.05478	2.2
91.81724	0.5
93.07026	1.1
95.08615	0.9
105.07012	0.8
117.07012	0.6
129.06923	0.6
131.08501	0.7
136.06143	1.3
139.12427	0.6
177.05424	0.7
185.04175	3.2
187.07341	0.9
210.72678	0.6
226.06886	0.7
250.06960	0.6
257.18826	0.8
334.08911	2.2
349.12561	100.0
350.12891	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	349.0891
Annotation	Pibocin B
Peak:m/z	Relative Intensity
55.05495	6.6
56.05030	2.7
60.04525	100.0
61.04852	6.6
64.49437	2.2
65.03923	2.6
67.05482	10.8
69.03398	3.9
69.07066	3.6
69.81548	16.7
70.06583	2.7
74.06091	2.7
79.05479	10.1
81.07042	11.1
82.06547	2.6
84.08121	3.2
91.05477	7.7
93.07043	9.3
95.04959	3.3
95.08591	10.8
97.06513	2.5
100.11250	11.6
105.07023	7.2
105.27966	2.3
107.05008	2.6
107.08600	5.7
108.08871	3.2
109.10169	6.2
119.08566	3.7
121.06453	4.1
121.10207	2.6
122.06837	2.8
123.05578	2.4
123.86549	2.4
127.00040	10.8
128.06190	2.8
133.10165	4.0
135.11661	2.7
137.06017	7.4
141.11520	2.2
143.22249	2.4
153.01810	4.4
182.15515	3.5
201.08835	2.7
210.57233	2.7
227.17766	4.8
245.07928	11.3
263.08850	10.4
289.12009	4.6
295.24683	5.0
305.09909	8.9
306.14481	2.6
313.25565	10.5
330.26288	9.9
331.26660	14.2
348.27472	10.8
349.08923	79.9
349.13409	3.6
349.23718	4.0
349.27789	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.3
57.03412	2.3
58.99573	3.2
69.03408	1.8
69.07048	1.2
69.65022	7.6
70.06614	1.6
71.04980	1.7
76.02229	2.7
77.00902	1.2
79.05495	3.3
81.03429	1.0
81.07054	20.7
84.04039	1.6
84.04507	15.5
84.08137	1.7
85.02908	2.7
86.00637	1.9
86.99065	1.8
87.02701	11.4
89.36380	1.0
91.05485	2.1
94.65409	1.0
95.04940	1.3
97.06518	1.9
98.20786	2.0
99.08089	3.9
105.00109	2.5
105.07070	1.0
112.65077	0.9
118.06519	1.0
119.04933	1.3
120.04462	2.7
120.08099	1.7
122.02714	12.7
124.07596	2.6
130.05016	3.2
131.01913	1.3
132.01161	3.2
140.07045	1.8
147.04378	4.7
152.07074	1.1
153.12749	1.1
157.07626	1.2
159.04720	2.7
162.05551	2.1
164.07089	2.7
166.05005	1.7
169.12288	1.8
182.77148	0.9
185.04272	1.4
185.05824	1.0
187.03703	3.5
189.05519	2.3
190.04997	4.8
192.06573	1.3
202.08948	13.1
203.07289	6.8
207.03336	0.9
208.06055	3.6
212.10686	1.8
213.10353	1.3
214.08649	1.1
220.10072	2.3
224.10619	1.1
225.10350	1.9
229.03743	1.1
234.98888	1.2
239.11841	2.2
242.11768	2.1
243.07188	1.1
243.11255	1.5
247.04564	3.7
247.11026	1.0
251.07130	1.2
253.10098	1.2
259.04578	1.4
265.05664	3.9
267.11157	1.4
269.13016	1.4
272.08624	1.0
277.05734	1.2
285.12396	2.0
286.06369	3.5
286.10974	1.8
289.05539	1.2
290.99469	1.0
301.11749	2.0
303.05515	1.1
303.13477	1.9
307.06766	2.5
313.11911	3.7
317.83173	1.0
319.12943	1.2
331.12949	11.6
349.08994	100.0
349.13846	12.9
350.09219	2.7
367.08630	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	7.3
57.03432	2.1
58.99858	2.1
61.02684	0.8
61.02929	7.8
67.42867	0.8
69.03413	2.5
70.43707	3.9
72.22910	0.8
73.02930	1.2
77.00896	2.6
80.95564	0.9
81.03407	1.0
82.99865	2.2
84.08141	1.6
85.02902	6.6
87.04414	0.9
95.01945	1.5
97.02865	2.9
98.97570	4.4
101.00876	22.1
103.02408	1.5
105.00350	2.9
109.02876	1.3
113.00829	4.3
115.02438	2.2
116.98595	4.8
117.03357	1.6
119.01920	100.0
120.02014	3.2
121.01638	1.9
121.03454	0.9
123.01348	0.9
127.01492	1.1
127.02360	1.1
127.03930	1.4
128.16359	0.8
128.98586	1.1
130.06465	1.2
131.01906	47.8
132.01967	1.4
133.03467	13.2
134.02278	2.6
134.99660	4.1
136.06194	0.9
137.02960	23.9
142.03500	2.5
143.00166	1.5
143.01886	10.8
143.02867	2.7
144.99855	5.6
145.03595	11.7
146.99599	3.0
147.01353	1.7
147.05084	1.7
149.02966	16.2
151.04515	2.8
154.03497	2.6
155.01917	5.9
157.03452	6.1
157.07581	1.1
158.06041	1.4
159.01436	1.6
160.97578	1.8
161.01448	1.6
161.02954	21.6
163.00912	1.1
163.04488	2.7
168.99825	25.3
169.03510	0.9
171.01331	1.1
171.05003	1.5
172.99315	2.3
173.01480	1.0
173.02969	16.9
175.03027	1.3
175.04411	4.2
177.00848	1.9
177.02428	3.4
177.04149	1.6
177.05478	7.0
177.54306	1.3
178.04291	0.9
179.02179	1.0
180.99788	3.7
184.04506	1.0
185.02930	4.6
186.04594	2.1
186.54881	1.6
187.00873	40.4
187.04553	1.8
187.10812	1.9
188.01039	1.6
188.09119	1.1
188.52718	1.0
188.97116	1.9
189.00667	2.1
189.02385	1.9
191.00415	2.4
191.02341	1.5
191.03984	9.3
193.00116	1.9
193.03619	1.1
196.99303	11.5
198.02968	1.5
198.53140	1.3
199.00873	14.6
199.03590	1.7
201.02428	3.7
203.04021	4.1
205.00188	2.1
205.01971	2.4
205.03625	1.6
206.98068	1.8
207.01689	1.0
207.03453	2.0
210.02422	2.2
212.98915	1.0
213.02426	3.2
215.00366	74.6
216.00562	3.5
217.01918	3.7
219.01648	2.0
219.03482	8.5
220.02232	5.4
220.99596	1.5
221.02919	4.8
221.05083	4.2
223.00945	1.0
223.04749	1.4
226.05621	1.0
227.00328	4.1
227.04285	1.0
228.03844	5.3
228.53951	1.0
229.01935	20.2
231.03494	7.8
233.01401	3.7
233.05008	1.7
235.04590	11.8
238.01828	3.0
238.03313	3.4
239.03952	2.3
239.06100	2.8
241.01901	4.2
245.01392	4.6
247.03001	83.2
247.49530	1.1
248.03133	3.9
251.06210	1.5
253.02122	1.4
253.05418	1.3
254.05135	1.1
257.01361	1.2
259.02777	10.5
260.03174	1.5
261.04614	2.4
262.03220	3.0
270.04633	8.0
271.02963	1.4
277.05844	1.8
287.03955	3.0
289.04077	13.3
291.03671	1.8
291.09464	1.2
293.05026	3.4
295.06509	1.3
305.04865	1.5
307.05026	3.7
317.03583	6.2
349.05942	5.2
349.10861	6.7
349.15558	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	1.5
56.96560	10.1
57.03431	2.9
61.02926	13.1
68.45103	1.4
69.03424	2.9
71.58084	2.4
74.14162	1.3
77.00890	2.5
81.03433	2.2
82.99876	1.8
84.08136	5.0
85.02893	7.8
86.59768	1.5
91.03870	1.1
92.46306	1.3
97.02902	3.8
98.97542	7.9
101.00864	20.8
103.02405	2.4
105.00395	1.7
109.07632	1.4
113.00900	4.9
115.02428	4.4
116.98609	7.0
117.03331	1.7
119.01913	100.0
120.02007	5.3
121.01645	2.8
121.03516	2.1
127.03873	1.4
127.54520	1.3
130.06509	1.8
131.00363	1.8
131.01898	49.2
132.02003	1.5
133.01695	1.8
133.03455	22.6
134.02263	1.4
134.99644	5.3
137.02951	19.2
142.03505	2.9
143.01889	14.0
143.02866	8.6
144.99794	6.7
145.03566	18.2
146.99622	3.2
147.01402	2.4
149.01189	1.8
149.02951	19.4
150.01878	1.9
151.04561	3.7
153.04256	1.3
154.03487	2.1
154.53723	1.4
155.01917	8.3
156.18050	1.3
157.03462	8.3
158.99672	1.6
159.01328	1.9
159.05052	2.3
161.01524	1.8
161.02954	29.4
163.02708	1.6
163.04456	4.8
165.00674	3.7
168.99818	27.6
169.01164	2.1
171.05002	2.0
172.99312	2.2
173.01477	1.3
173.02954	20.0
174.03267	1.2
174.99062	1.9
175.04523	5.5
177.00772	2.8
177.02402	4.2
177.04143	3.4
177.05466	6.7
179.04004	1.9
180.99879	3.8
184.04643	2.0
185.02856	6.5
186.54822	2.4
187.00877	38.8
187.02579	2.1
187.04436	2.2
187.10806	5.0
188.97125	3.1
189.02563	2.2
191.00383	3.3
191.02298	2.0
191.03983	13.9
193.00252	3.6
196.99326	13.7
197.02887	2.2
198.02888	4.0
199.00888	14.5
201.02444	5.7
203.03918	6.7
205.00232	2.5
205.01950	3.2
206.98117	2.7
207.01756	2.6
210.02452	2.9
213.02403	3.2
215.00365	85.1
216.00459	3.3
216.52328	1.5
216.58043	1.2
217.01855	3.2
218.53711	1.6
219.01666	3.0
219.03439	10.0
220.02185	3.5
220.99579	1.4
221.03047	5.7
221.05154	4.7
223.04587	2.5
227.00449	3.6
228.03909	7.1
228.54185	2.2
229.01935	21.5
231.03529	8.3
233.01462	3.1
233.05016	3.5
235.04689	16.9
235.06778	2.5
236.04826	1.5
238.01712	2.2
238.03470	3.5
239.03989	1.9
239.06252	1.9
241.01961	5.8
245.01457	3.6
247.02992	83.0
248.03203	4.7
253.01958	1.4
253.05568	3.2
257.01733	2.1
259.02698	14.1
261.04559	2.7
262.03247	5.8
270.04660	6.7
275.04111	1.8
282.04764	1.4
287.03943	4.8
289.04041	16.9
291.03412	2.1
293.05078	3.8
307.05182	3.4
317.03595	6.2
349.05875	4.1
349.10886	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	348.2743
Annotation	Broussonetine M1
Peak:m/z	Relative Intensity
53.03946	0.9
55.01874	1.0
55.05510	4.8
55.94180	0.8
56.05042	4.3
56.58322	0.8
57.03432	1.9
60.04527	100.0
61.04844	0.7
65.03929	1.2
67.05507	12.1
69.03430	1.9
69.07052	3.0
70.06594	1.9
70.64764	3.2
71.04998	1.2
72.04507	2.0
74.06065	1.8
79.05491	11.1
80.04990	1.2
81.03407	1.3
81.07053	12.9
82.06570	2.8
83.04965	2.2
83.08632	1.6
84.04504	4.3
84.08157	1.1
85.02893	2.2
90.05542	2.3
91.05492	9.6
93.07051	11.8
94.06556	2.1
95.04960	2.5
95.08601	8.4
96.08142	3.7
97.02889	1.6
97.06517	1.5
97.08447	0.8
97.10161	1.2
99.04465	1.5
100.11247	2.6
103.03945	1.6
103.05460	1.6
105.07037	6.0
106.06506	0.9
107.04950	1.0
107.08603	6.3
109.02849	1.2
109.06440	0.8
109.10153	3.7
115.05531	1.0
116.07086	1.1
117.07010	2.6
118.06553	0.9
119.08591	3.5
121.06520	12.5
121.10132	5.1
122.09669	0.8
123.11671	1.4
126.05535	1.0
127.03904	1.0
129.07021	1.1
130.06517	3.2
131.08572	2.5
132.08083	1.0
133.10121	2.9
135.08038	0.9
135.11723	4.0
136.06216	1.4
136.07562	1.0
139.03918	1.2
140.04222	0.9
143.08540	1.2
145.10121	1.8
146.05997	3.3
147.11685	2.9
149.13286	1.2
153.01843	2.9
154.02129	1.8
159.09160	1.6
159.11723	1.1
170.06017	0.9
171.11708	1.4
188.07103	5.0
210.14836	1.0
228.16002	1.0
256.03162	0.9
259.05667	2.1
267.11450	1.3
276.23227	3.6
287.05182	1.4
288.05914	1.8
294.24298	5.7
304.05185	1.5
304.18832	0.9
312.25290	9.3
330.26385	25.2
330.30273	1.8
331.26837	1.6
332.04730	1.4
348.07974	17.2
348.21753	6.3
348.27432	35.8
349.08850	5.1
349.27734	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	4.7
56.05031	1.4
57.03435	1.0
60.04510	0.8
67.05503	7.6
69.07072	6.0
69.63353	6.4
70.06596	0.9
71.04990	1.7
74.06052	0.9
79.05499	4.3
81.07060	10.3
83.04980	0.9
83.08619	1.5
91.05482	6.7
91.99152	1.0
93.07050	5.3
95.04982	1.2
95.08623	3.8
97.02872	0.9
97.06531	0.9
103.05466	4.5
105.07042	6.1
107.04958	1.3
107.08573	1.9
109.06518	1.8
109.10148	3.8
115.05471	4.8
117.07039	3.1
118.06544	2.5
119.04985	1.6
119.08636	1.5
121.06500	1.8
121.10128	1.0
123.04416	10.9
123.11757	1.0
128.06239	4.8
129.07004	13.2
131.04944	10.1
131.08539	1.0
133.06464	2.1
133.10139	2.8
136.06183	22.1
137.04707	1.2
137.05984	7.4
143.04930	3.6
143.08604	4.2
145.06502	5.1
146.06033	3.5
147.04407	6.1
147.08064	1.0
147.11592	0.9
148.05197	2.7
149.05975	21.4
149.07111	1.3
151.07567	1.5
155.08612	1.3
157.06473	11.0
157.10175	1.2
159.08112	0.9
160.05194	3.5
161.05972	18.3
163.07570	4.5
164.07069	71.8
165.05568	1.2
165.07404	2.4
166.08649	1.6
168.13773	2.1
171.08038	4.3
173.05974	11.8
174.06763	1.3
175.07550	45.3
177.09132	1.0
183.08084	3.4
187.07497	5.2
189.09068	5.8
197.09683	1.2
199.07513	1.8
201.09148	2.8
203.10707	1.3
224.68622	0.8
229.12318	0.9
239.10690	1.1
285.18564	1.3
295.17010	1.3
313.17990	9.5
330.19626	1.3
331.19070	8.7
340.35303	0.9
348.21692	100.0
349.22018	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	348.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	12.5
55.05497	37.5
55.90228	8.7
56.96557	28.0
57.03426	28.5
61.02921	17.7
67.05511	78.6
69.07053	23.2
69.61024	65.0
73.02898	11.0
78.59454	9.4
79.05493	64.6
81.03410	30.7
81.07059	57.8
83.05010	16.5
83.08629	20.8
85.02874	19.1
91.03928	9.8
91.05468	48.6
93.07041	53.8
95.04967	28.0
95.08599	45.4
97.02871	16.6
97.06551	13.1
97.10146	9.3
105.07021	42.8
107.04951	14.2
107.08607	45.8
109.06537	9.1
109.10138	62.4
117.07021	15.6
119.08588	36.5
121.06471	12.9
121.10152	15.2
125.09641	13.9
127.03938	9.7
131.08534	29.5
133.10098	31.6
135.11684	13.7
136.06178	19.9
137.09656	12.7
145.10130	24.8
147.11635	14.8
149.09665	11.7
149.13266	12.5
155.10710	14.0
159.11668	17.3
161.13345	10.0
163.11240	12.7
164.49333	8.9
173.11713	100.0
189.11293	16.6
251.11311	11.5
257.18896	18.2
267.08994	11.0
269.12344	33.3
275.20126	18.3
277.21866	21.3
285.10092	38.8
295.22653	11.5
348.18619	42.7
348.25375	17.1
349.19894	42.0
349.23743	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	348.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	5.8
57.03417	6.5
69.03420	9.9
71.57990	6.4
71.58363	5.7
81.03409	8.5
84.04527	5.8
84.08142	5.7
85.02899	37.7
86.09710	8.3
91.05485	21.3
95.04926	6.8
97.02875	14.5
99.04467	6.4
109.02912	5.7
109.92122	4.7
119.04941	15.3
123.08112	8.8
130.06525	9.9
136.06161	24.9
137.06056	6.5
151.07538	100.0
152.55031	4.9
157.07568	7.6
158.06009	7.6
168.10207	12.6
169.08600	8.5
175.08705	10.3
180.06557	6.0
186.11285	7.3
277.00308	7.1
348.16937	8.9
349.08972	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	348.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51589	1.1
56.24699	1.0
56.96548	1.9
58.99850	1.2
69.03411	1.1
69.07066	2.7
69.79411	6.9
72.08154	1.3
77.00888	1.5
78.01491	0.9
84.08150	9.1
85.08472	1.1
86.09702	30.3
97.06534	1.6
98.20860	1.4
100.02467	1.4
101.00885	8.4
105.00362	1.3
113.00867	3.7
113.56784	1.0
115.02415	1.8
118.03526	2.8
119.01920	29.0
121.06545	1.4
127.02423	1.1
130.03496	3.3
130.08633	3.9
131.01921	25.4
133.03479	2.4
136.06198	10.4
137.02965	3.4
142.07182	1.6
143.01888	1.9
145.03474	9.9
149.02991	5.0
155.01917	7.0
157.03494	2.5
160.08212	3.1
161.02972	3.0
162.09782	2.5
163.04594	1.3
163.48030	1.0
168.08713	1.7
172.08173	7.8
173.02966	7.3
173.04262	1.2
173.06505	1.0
175.04523	1.6
175.13988	1.2
184.08310	1.1
185.02969	2.4
186.09760	16.0
190.09233	2.8
191.07684	1.0
197.53415	1.1
198.09735	10.6
200.11360	1.4
203.04034	1.8
204.10828	2.4
204.64568	1.1
208.10367	3.0
212.11333	3.4
214.09233	26.7
215.07658	3.3
215.37939	0.9
216.10910	1.7
218.08676	2.8
221.05064	5.0
222.09932	1.3
226.07320	2.1
226.09253	15.4
228.10826	3.2
232.10318	35.3
233.10434	1.0
234.09917	1.3
238.03923	1.2
240.10774	2.9
244.10323	15.2
246.11812	3.6
250.11491	4.4
255.11800	1.8
256.04962	1.4
256.10239	5.5
258.11905	6.7
268.10300	4.7
270.11978	1.6
274.11377	4.5
276.12997	1.3
286.11346	1.5
288.09286	2.0
288.12930	1.4
291.14853	1.3
292.15247	1.9
296.97452	1.0
298.11368	4.9
316.12439	5.4
334.13513	12.9
335.14508	1.2
348.15051	100.0
349.10773	1.9
349.15244	5.5
366.16098	5.0
367.11707	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2191
Annotation	Cortexolone
Peak:m/z	Relative Intensity
51.91103	2.0
56.05021	1.9
57.07064	4.1
66.10516	1.9
70.81836	1.9
71.58656	1.6
71.59090	2.6
75.45810	1.7
81.36634	1.9
83.39539	1.8
88.07610	7.5
90.05632	2.2
93.07039	1.9
95.08596	2.6
97.06531	1.8
121.85886	1.9
141.78207	1.7
155.60767	1.9
158.90192	2.6
190.99232	3.1
299.31396	8.4
305.99786	1.9
347.21933	100.0
347.33478	24.7
348.22000	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	347.2191
Annotation	Cortexolone
Peak:m/z	Relative Intensity
56.05032	2.3
56.50867	1.0
57.07058	1.5
58.06581	1.1
59.52443	1.0
60.04530	1.2
70.04241	1.8
70.04648	4.3
74.06063	1.7
81.07047	1.2
88.07639	6.5
89.07928	1.3
91.05476	1.4
118.89292	0.9
127.09725	0.9
129.60226	1.0
147.70978	1.0
149.02313	0.9
166.93268	1.1
193.04922	1.4
208.50983	1.0
224.65541	1.7
235.12950	1.2
249.14691	2.0
299.31348	5.4
321.46341	0.9
347.21936	100.0
347.33392	15.9
348.22275	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	348.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.9
55.76998	2.0
60.04522	4.2
61.44063	1.9
65.03927	3.6
68.99789	3.1
69.03407	3.2
70.06573	3.3
70.69453	2.0
70.73966	4.3
72.08122	2.4
79.05490	4.4
80.04996	3.0
81.03401	3.9
84.04485	9.4
86.09678	2.8
91.05483	5.2
95.04935	4.1
97.02873	2.6
103.05478	2.1
104.18303	2.0
105.03392	3.2
107.04975	3.6
109.02850	2.6
110.05953	2.6
111.04423	5.0
119.04965	4.6
120.08087	3.0
122.05979	2.5
123.04430	100.0
124.03925	2.2
126.05497	5.0
127.03902	5.4
133.02824	2.5
134.06027	4.8
135.04427	6.7
136.03882	2.9
136.06160	10.7
136.07530	3.0
137.02307	4.1
137.06010	2.3
138.05499	9.5
139.03909	57.4
140.03412	5.6
146.05983	4.3
147.04407	15.8
148.03931	4.2
149.02367	15.0
149.06018	4.0
151.03897	7.4
152.07072	8.1
153.01755	3.0
153.05389	2.2
154.04993	32.9
155.03426	16.3
160.07591	2.3
162.05476	8.8
163.03879	21.3
164.07065	9.7
165.05495	5.0
166.04990	36.0
166.06285	2.7
168.06561	10.6
176.07062	4.2
177.05424	4.8
178.05006	13.5
179.03365	6.7
180.06554	40.9
181.05067	3.9
185.05981	2.8
188.07167	4.2
192.06590	2.3
194.08035	10.3
196.06061	25.6
201.05481	4.5
203.07133	2.5
208.06062	41.0
210.07655	7.2
222.07715	2.9
229.05014	3.7
260.09158	2.8
270.07489	3.5
271.05969	5.8
287.05493	3.9
288.08527	6.2
289.07025	2.9
306.09711	7.3
312.08521	3.4
328.07736	2.3
330.09756	12.6
348.10687	35.5
349.08792	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	347.1828
Annotation	Spenolimycin
Peak:m/z	Relative Intensity
50.39146	0.8
53.03927	1.0
55.05498	2.3
56.96557	1.5
57.03424	1.2
67.05506	4.9
69.03436	1.0
69.07072	1.7
69.74104	0.9
71.58401	0.9
71.58825	1.3
74.91223	0.9
79.05492	5.0
79.30305	0.9
81.07043	4.1
83.08613	1.0
84.23433	1.0
84.87920	1.0
88.09663	0.9
91.05470	2.2
93.07033	4.5
95.04965	5.0
95.08594	3.4
105.07021	2.7
107.04939	1.7
107.08562	2.6
109.06508	1.2
111.08105	1.0
114.07473	0.9
114.29443	1.0
117.07014	1.0
119.08588	2.5
121.10102	2.1
129.06970	2.1
131.08566	1.0
133.10115	1.6
135.11668	1.5
137.05923	1.0
139.80109	1.2
157.10114	1.2
175.11234	1.1
181.05304	1.1
244.02359	1.2
265.12738	1.0
273.18533	2.0
280.15704	1.0
283.14014	1.1
329.17227	1.3
347.18289	100.0
348.18616	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.16
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.5
55.05515	3.5
67.05507	1.5
69.03430	2.1
69.07067	40.0
70.15434	3.6
70.15839	2.0
73.06553	10.7
79.05491	3.9
81.07057	5.6
88.68124	1.1
89.74965	1.1
91.05466	4.7
93.07058	1.2
95.04926	1.7
97.02872	1.6
97.06528	20.5
105.07009	3.0
107.04961	3.0
107.08560	1.4
111.08042	1.4
114.09184	1.6
115.05453	4.1
115.07574	11.7
117.05715	1.6
117.07064	2.1
118.06540	18.3
121.06501	1.6
121.10181	1.7
125.05985	8.6
128.06198	1.1
130.06525	31.1
131.08563	1.6
132.08086	20.2
135.04436	1.4
137.05977	2.5
142.06506	6.9
143.07050	17.4
143.08179	1.7
144.08099	14.6
145.10172	1.5
146.06009	65.8
159.09174	88.7
160.07545	3.9
160.09512	1.8
161.05901	1.9
161.08093	3.8
163.03859	2.2
163.07610	1.5
169.09996	1.2
170.05989	20.4
176.10745	1.5
178.06244	2.3
180.46242	1.3
181.07697	1.3
182.08247	6.1
185.07094	6.2
187.08667	3.6
188.07056	100.0
193.12202	1.4
205.09700	22.1
222.12817	1.6
237.13852	5.9
253.32623	1.2
259.07321	4.1
265.13266	12.7
283.14407	35.0
301.15460	31.0
303.17993	8.3
311.13882	19.1
329.10605	2.2
329.14951	24.1
347.07623	2.0
347.20178	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	347.1676
Annotation	Gly Arg Asp
Peak:m/z	Relative Intensity
59.23276	0.4
70.71120	1.4
80.51973	0.4
83.08605	0.7
85.02897	0.6
87.51549	0.4
97.02885	0.6
98.97540	0.5
116.98583	0.5
168.08075	0.4
176.07056	0.5
178.04962	0.4
182.06947	0.6
185.11470	1.5
198.07613	0.4
199.08598	1.2
201.06606	0.7
213.06546	1.7
213.10217	0.7
227.08131	1.6
227.11664	0.6
229.09714	0.4
231.07637	0.8
237.10284	0.6
238.08745	0.6
239.08131	0.6
241.09708	1.8
255.02742	0.5
255.07590	2.4
255.11246	1.5
269.09180	2.1
273.08661	1.1
283.10764	4.7
287.05475	0.7
287.10144	0.9
293.09171	1.6
301.11908	1.1
311.10254	8.5
319.12585	0.6
329.11310	16.1
330.11438	0.6
347.07703	2.2
347.12344	18.5
347.16672	100.0
348.12781	0.6
348.17007	2.3
349.11383	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08685	1.2
55.01854	1.1
55.05498	2.1
57.03419	1.4
59.15419	1.1
64.24781	1.4
67.05505	3.0
69.03431	2.2
69.07068	39.1
70.83495	1.2
71.05002	1.9
71.58396	2.1
73.06558	11.2
79.05478	5.2
81.03416	1.7
81.07077	6.1
85.02878	2.0
85.06538	1.5
91.05504	6.1
93.07052	3.0
93.58081	1.4
94.11974	1.2
95.04958	2.5
95.08616	3.1
97.02892	3.5
97.06525	21.2
99.04468	1.2
105.07019	4.5
107.04964	3.7
107.08617	2.0
109.06540	1.5
114.04250	1.5
114.09171	2.1
115.05469	3.8
115.07583	8.8
117.07004	3.7
118.06550	23.5
118.46302	1.3
119.08570	1.7
121.06505	2.0
122.39835	1.2
125.06000	9.3
129.06944	1.7
130.06517	35.1
132.08086	23.3
133.06483	2.7
135.04391	2.4
137.05962	1.7
142.06523	6.5
143.07053	22.7
144.08078	15.3
145.06453	1.7
145.10118	1.6
146.06010	71.3
147.06320	1.6
147.11707	1.4
154.08711	1.8
159.09180	93.1
160.07596	4.1
160.09528	2.8
161.05994	3.1
161.08060	5.2
163.03931	2.3
164.07034	1.8
169.07651	2.0
170.06020	19.9
171.11688	1.3
176.10724	1.7
177.05508	1.3
177.07417	1.4
178.06229	2.3
182.08244	5.5
185.07097	6.1
185.09564	1.6
187.08672	4.1
188.07066	100.0
189.07411	3.5
205.09682	19.5
205.11363	1.3
206.11372	1.8
222.12770	2.1
237.13834	6.1
249.13425	1.1
255.14958	2.1
259.07220	2.6
265.13422	11.9
283.14401	35.1
301.15469	32.8
303.17865	11.3
311.13876	21.1
312.14282	1.4
329.10590	2.4
329.14905	28.3
330.15305	2.0
333.42841	1.3
347.11230	2.1
347.15280	1.7
347.20483	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	347.1316
Annotation	Nordercitin
Peak:m/z	Relative Intensity
56.96555	1.7
58.52958	1.1
69.03413	2.3
70.06585	1.4
71.57442	1.6
76.74690	1.0
85.02878	3.6
86.09725	1.4
94.61629	1.0
97.02879	1.5
98.97650	1.0
99.04446	2.0
101.00906	1.7
119.01920	7.7
127.03905	2.2
130.06540	7.0
131.01855	1.4
136.06189	6.9
137.02957	2.2
143.01895	15.1
157.07631	6.2
158.05980	5.7
159.09143	1.7
161.02953	26.0
162.03127	1.3
162.96806	1.1
167.06828	1.1
168.06589	1.2
174.96936	1.2
175.08717	5.8
185.06424	7.8
185.07884	4.6
185.66267	1.2
203.03810	6.7
203.05649	1.8
203.08023	3.5
221.05019	2.4
227.07599	3.3
263.06027	1.1
280.42648	1.2
285.13049	17.0
287.11008	1.7
329.11755	1.4
347.13095	100.0
348.13293	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	347.1235
Annotation	Miraxanthin V
Peak:m/z	Relative Intensity
53.03941	3.1
56.02981	1.3
57.00081	1.5
57.03438	10.8
58.10164	1.3
69.03416	3.1
69.07060	2.8
69.91958	8.6
71.04960	2.2
73.02915	1.6
80.07280	1.8
81.03434	7.7
85.02905	3.0
91.05450	1.3
93.07042	1.5
94.06551	4.8
95.08609	1.9
98.20787	1.7
99.04446	16.9
109.02888	3.8
120.11693	1.5
127.03918	7.6
130.06526	80.5
131.06885	2.4
132.04454	25.2
132.08069	6.1
137.05957	2.2
146.05957	3.1
146.83568	1.5
157.07613	100.0
158.06010	56.8
158.07993	2.8
159.09181	16.8
160.07539	2.3
166.04968	1.6
172.07513	1.9
175.08673	49.2
178.05000	3.1
185.07114	12.6
185.11737	4.1
186.05447	1.9
199.08702	2.7
203.08153	56.7
204.06540	3.9
204.08438	2.2
213.10275	2.9
219.09258	1.7
221.09247	13.7
227.08321	2.2
227.11491	1.5
231.07474	2.3
238.08548	2.1
241.09659	5.5
247.08688	2.0
255.07491	3.1
255.11192	2.8
265.09610	2.7
266.18304	1.7
267.11337	1.9
269.09235	6.6
273.08759	1.8
283.10867	10.1
285.12320	6.8
287.10114	2.2
293.09152	3.8
301.11688	5.4
311.10263	17.9
319.12695	2.0
329.07364	1.8
329.11310	30.3
347.12274	21.8
347.16217	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	347.1312
Annotation	Nordercitin
Peak:m/z	Relative Intensity
50.67418	0.5
59.08963	0.5
69.88145	2.5
85.02898	0.6
137.66644	0.5
138.66273	0.5
162.89432	0.5
185.07884	1.6
287.11130	1.1
347.13120	100.0
348.13461	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	347.1236
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
55.01868	3.8
55.05497	2.9
57.03436	2.2
63.56667	2.0
67.05495	2.1
69.03421	2.4
69.07056	3.8
70.92699	4.7
71.04980	2.4
72.93787	2.3
79.05492	3.7
81.07032	2.8
85.02876	1.9
89.60984	2.0
91.05465	4.8
93.07015	2.1
95.04973	2.9
95.08600	1.9
97.02874	4.0
97.06527	2.3
103.05444	4.2
105.07007	2.8
109.10141	2.0
119.08562	2.1
121.06503	3.4
130.97743	1.7
131.04933	2.3
131.08571	2.8
133.10156	2.5
135.04469	1.9
137.02322	2.1
137.05946	7.0
145.10057	1.9
146.05968	2.3
149.05965	2.1
149.40863	1.7
152.03493	1.8
153.01820	3.9
159.07939	1.6
162.05418	1.6
165.05479	7.1
167.07013	3.1
177.05545	2.0
178.04973	3.8
185.07115	2.3
187.05057	2.5
192.99530	3.5
193.04938	2.0
199.08646	4.9
201.06586	4.1
211.08591	3.3
213.06558	5.6
213.10266	6.4
227.08253	8.6
227.11838	2.6
229.09708	4.0
231.07668	5.0
237.10240	4.7
238.08551	3.2
239.11746	2.0
241.06187	1.9
241.09663	7.4
255.07674	9.5
255.11252	7.4
259.07199	2.3
265.09726	5.1
267.07513	2.3
269.09183	8.5
273.08658	7.2
283.10715	21.4
284.11023	2.0
287.10168	3.3
293.09140	6.5
301.11627	4.0
303.17810	2.2
311.10214	48.3
319.12573	2.1
329.11288	85.4
330.11578	4.2
347.12299	100.0
348.12573	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	347.0754
Annotation	Myricetin 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
58.87526	0.3
60.04520	0.7
65.03918	0.7
65.96135	0.3
67.05502	0.6
68.99791	2.1
69.03406	0.7
69.07044	1.4
69.36205	1.0
69.36610	2.4
69.63029	0.3
70.06609	0.6
72.67395	0.3
79.05473	1.1
81.03404	0.6
81.07049	0.6
83.04984	0.4
86.60572	0.3
91.05458	0.6
93.03384	0.4
93.07032	0.9
95.04979	0.6
95.08585	0.6
96.64040	0.3
97.02877	1.0
97.78728	0.4
98.20818	0.8
99.04390	0.4
103.05442	0.4
105.03380	1.0
105.07020	0.9
106.04156	0.5
107.04932	0.9
107.08556	0.5
109.02863	0.8
110.19298	0.3
111.00777	0.8
111.04422	0.4
111.11672	0.4
117.07013	0.6
119.50044	0.4
121.02849	2.9
121.06469	0.5
126.03162	0.4
129.06950	0.7
131.04932	0.5
131.08508	0.5
133.02864	0.9
134.03636	0.7
137.02313	3.6
139.03903	6.3
139.11169	0.4
147.04422	0.9
149.02342	0.6
150.03110	1.4
151.03911	0.7
152.04608	0.4
153.01823	15.3
153.05450	7.2
154.06213	1.3
156.40630	0.3
157.06454	0.8
157.12320	0.4
159.07971	0.5
161.71658	0.4
163.03865	1.0
164.40729	0.4
165.01831	4.8
166.02684	0.7
167.07072	0.5
171.04449	0.7
173.05943	0.6
178.02612	0.8
181.04951	3.3
183.02905	1.6
185.06100	0.3
187.03842	0.5
191.03416	0.5
192.03957	0.4
194.02077	0.4
201.05460	1.7
203.03363	0.7
203.07248	0.5
205.05183	0.4
207.02780	0.4
207.06487	1.3
213.05534	2.0
216.04190	1.9
219.02882	0.5
221.04459	0.4
227.03305	0.7
228.04131	0.8
229.04947	5.4
230.05731	2.4
231.06488	1.4
232.03735	0.7
233.04350	0.7
237.16335	0.4
241.04988	1.6
243.02847	2.1
244.03653	3.3
245.04486	0.8
255.02942	1.2
256.03592	0.5
257.04428	4.2
258.05249	10.9
259.05945	4.1
261.03900	1.5
261.15024	0.5
269.04446	3.4
272.03226	1.0
273.03772	0.6
274.04709	0.6
283.02252	1.2
284.03085	1.0
285.03906	4.3
286.04669	9.4
287.05487	15.1
289.03302	1.6
291.08655	2.8
296.03052	0.5
300.02637	1.0
301.03369	0.8
302.04208	0.6
303.04950	5.6
304.05643	0.8
312.05835	0.5
313.03439	2.0
314.04059	2.0
315.04993	5.3
316.05756	0.5
317.02924	1.1
318.07004	0.7
329.25098	0.5
331.04465	9.9
332.05252	4.5
347.07593	100.0
348.07990	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.8
55.05497	2.9
57.03436	2.2
63.56667	2.0
67.05495	2.1
69.03421	2.4
69.07056	3.8
70.92699	4.7
71.04980	2.4
72.93787	2.3
79.05492	3.7
81.07032	2.8
85.02876	1.9
89.60984	2.0
91.05465	4.8
93.07015	2.1
95.04973	2.9
95.08600	1.9
97.02874	4.0
97.06527	2.3
103.05444	4.2
105.07007	2.8
109.10141	2.0
119.08562	2.1
121.06503	3.4
130.97743	1.7
131.04933	2.3
131.08571	2.8
133.10156	2.5
135.04469	1.9
137.02322	2.1
137.05946	7.0
145.10057	1.9
146.05968	2.3
149.05965	2.1
149.40863	1.7
152.03493	1.8
153.01820	3.9
159.07939	1.6
162.05418	1.6
165.05479	7.1
167.07013	3.1
177.05545	2.0
178.04973	3.8
185.07115	2.3
187.05057	2.5
192.99530	3.5
193.04938	2.0
199.08646	4.9
201.06586	4.1
211.08591	3.3
213.06558	5.6
213.10266	6.4
227.08253	8.6
227.11838	2.6
229.09708	4.0
231.07668	5.0
237.10240	4.7
238.08551	3.2
239.11746	2.0
241.06187	1.9
241.09663	7.4
255.07674	9.5
255.11252	7.4
259.07199	2.3
265.09726	5.1
267.07513	2.3
269.09183	8.5
273.08658	7.2
283.10715	21.4
284.11023	2.0
287.10168	3.3
293.09140	6.5
301.11627	4.0
303.17810	2.2
311.10214	48.3
319.12573	2.1
329.11288	85.4
330.11578	4.2
347.12299	100.0
348.12573	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	346.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	4.1
67.05492	10.2
67.61726	1.8
69.07061	4.8
70.46262	7.9
78.35120	1.7
79.05498	3.9
81.07048	3.5
88.46313	2.0
91.05446	4.7
95.04939	2.2
95.08589	2.7
105.04424	1.8
107.08578	5.7
109.10139	8.1
119.08546	3.0
132.08098	3.0
145.10159	2.4
146.09665	5.1
173.11772	16.6
173.13086	3.1
174.09132	14.3
174.12920	2.3
188.10709	3.8
189.11232	3.5
202.12262	11.6
346.23746	100.0
347.07486	2.6
347.23895	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	347.0759
Annotation	Myricetin 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
55.45986	0.4
61.71016	0.4
62.85868	0.3
65.03933	0.7
67.05478	0.6
68.99782	1.7
69.03425	0.6
69.07046	0.6
71.04964	0.6
79.05481	1.4
79.42569	0.3
81.07043	1.0
83.04967	0.4
85.02914	0.7
85.06590	0.3
91.05457	0.9
92.02612	0.5
93.03410	0.5
93.07040	0.6
95.04942	1.2
95.08584	0.5
97.02879	1.1
98.21506	1.1
103.53055	0.3
105.03379	1.1
105.07069	0.5
107.04938	2.4
107.08613	0.5
109.02881	0.7
109.10118	0.5
111.00774	0.9
111.04449	0.9
112.94768	0.4
117.07012	0.5
118.84753	0.3
119.08554	0.7
121.02850	2.8
123.04463	0.7
124.01557	0.4
124.05248	0.4
126.03086	0.6
129.07028	0.8
131.04898	0.6
133.02823	0.8
134.03658	0.4
135.04414	2.0
137.02318	2.6
137.05981	0.8
138.03079	0.6
139.03899	6.0
145.06485	0.6
147.04401	1.1
149.02284	0.8
149.05914	0.5
150.03075	1.1
151.03880	0.9
153.01819	14.0
153.05450	6.4
154.06253	1.1
157.06491	0.8
161.05957	0.8
162.03059	0.4
163.03883	1.4
164.04672	0.8
165.01810	3.4
165.05499	0.6
166.02567	0.5
167.07053	0.5
169.01286	0.6
171.04388	0.4
173.05942	0.6
177.05554	0.5
179.03337	0.6
181.04953	2.3
183.02936	2.3
185.05779	0.5
185.07191	0.5
186.01659	0.7
187.03992	0.5
188.04623	0.6
189.05467	0.8
191.03430	0.7
192.04114	0.4
193.04958	0.7
200.04710	0.7
201.05435	1.2
203.03416	0.6
205.05043	0.5
207.02925	0.7
207.06528	1.1
212.04659	0.5
213.05431	1.9
216.04164	2.3
217.04936	1.0
219.02899	1.0
227.03441	0.7
228.04149	0.5
229.04947	4.8
230.05675	2.2
231.06429	1.4
233.04471	1.1
241.04956	2.2
243.02878	2.3
244.03619	3.7
245.04416	1.0
247.02367	0.5
255.02908	1.5
256.03485	0.4
257.04425	2.6
258.05228	10.6
259.05981	3.8
261.03998	1.3
269.04437	2.4
272.03107	1.7
273.04001	0.6
274.04788	0.7
283.02353	1.0
284.03137	0.9
285.03976	4.4
286.04700	7.5
287.05493	14.3
288.05978	0.6
289.03409	1.9
291.08588	2.6
301.03601	0.9
302.04221	0.8
303.05026	6.5
303.17770	1.3
313.03311	2.0
314.04221	2.4
315.04935	4.0
316.05692	0.8
317.02847	1.8
318.07266	0.4
319.11655	0.9
329.06537	0.6
331.04449	9.8
332.05212	4.4
347.07587	100.0
348.07913	3.8
354.05521	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2375
Annotation	Dehydrodictysine
Peak:m/z	Relative Intensity
55.01866	0.9
55.05502	1.8
56.05026	0.7
57.07075	9.2
58.19184	0.7
67.05511	3.2
68.05026	1.1
69.07050	2.9
69.54356	5.9
70.02945	1.3
71.08634	11.9
72.28798	0.7
79.05492	4.8
81.07044	6.5
82.06600	0.9
83.08622	0.9
85.10188	6.7
86.16241	0.6
87.37730	0.6
88.07631	1.5
91.05479	11.7
93.07055	0.7
95.08606	6.4
96.04476	5.2
98.21479	1.0
99.90671	0.6
103.05469	9.5
104.04959	0.9
105.06385	0.9
105.07038	10.7
106.06568	1.3
107.04970	4.5
107.08655	0.8
115.05449	0.7
117.07020	1.3
118.06554	1.3
118.76746	0.7
120.08109	4.8
120.77172	0.6
123.61455	0.7
128.06229	0.9
129.06985	6.4
130.06502	2.2
131.04941	2.5
132.08167	0.7
143.08556	1.1
144.08073	6.2
145.06435	0.9
146.09650	16.9
150.24660	0.7
155.14285	1.8
156.08002	0.9
170.09607	1.2
174.09113	1.9
192.10197	10.1
198.18443	1.5
208.16948	4.9
230.11345	0.8
264.54785	0.7
282.22089	4.1
298.30765	0.8
300.23206	33.4
301.23553	0.9
346.23764	100.0
347.24112	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37659	2.6
53.03940	3.4
54.88787	2.8
55.01896	3.5
55.05484	3.6
56.96564	2.9
57.03425	9.0
60.04507	8.9
61.02902	5.1
67.48225	2.6
69.03425	6.7
69.07065	3.7
70.06584	6.2
71.04982	2.8
74.06059	3.9
79.05472	3.6
81.03393	6.3
81.07053	7.8
82.06571	3.3
83.36136	2.8
84.04514	4.5
85.02905	24.6
86.09693	6.7
88.07143	3.0
91.05481	4.3
93.07009	3.9
94.06580	6.4
95.04977	5.1
95.08601	4.2
97.02914	6.2
98.21539	6.0
99.04449	8.4
100.07619	2.7
107.04957	100.0
107.41764	2.7
121.06496	3.5
122.06026	6.5
127.03902	7.8
130.06528	40.3
132.04463	14.3
132.08125	3.3
137.05962	8.3
140.07059	8.6
144.04410	3.2
145.04883	6.3
145.06458	4.3
146.05971	4.9
148.07574	3.7
149.09596	16.9
151.81122	2.9
152.07071	11.6
156.32191	3.3
157.07610	45.3
158.06015	32.8
159.09233	9.3
160.09686	3.5
162.05428	5.7
166.05006	14.5
172.03912	8.7
173.04250	8.2
173.05885	6.1
175.08665	26.4
178.04918	3.3
182.04431	3.9
183.10283	3.2
184.07561	3.5
185.07149	9.0
187.14476	5.4
188.09467	5.5
193.06093	9.9
203.08192	26.3
204.06563	10.1
205.06981	20.0
213.06645	4.5
220.13470	5.1
221.09236	6.8
229.18503	3.2
241.09610	5.7
283.10858	16.2
285.12082	4.3
301.11829	11.5
302.17444	6.2
311.10217	13.4
329.11288	32.1
346.09851	3.2
346.13995	8.8
346.20178	7.7
347.08286	3.5
347.12231	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	346.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.0
55.01886	3.7
55.05526	3.3
57.03431	6.9
61.02929	11.3
66.82780	2.4
69.03430	18.2
69.07066	3.0
70.06605	8.6
71.04996	5.2
71.21964	5.9
73.02933	5.5
81.03424	10.0
84.04497	4.6
85.02907	100.0
86.09734	5.8
87.04451	2.6
91.03952	3.8
97.02882	29.6
98.06045	5.8
99.04481	5.1
107.04957	75.0
109.02902	8.0
110.06062	6.3
127.03925	18.1
136.07585	6.6
145.04962	33.1
145.06093	3.3
145.06487	2.4
147.04402	3.3
149.05998	29.0
154.08636	6.9
163.06021	5.1
167.07042	7.0
168.02977	3.1
172.04266	5.5
173.05994	5.2
180.08716	13.3
184.09709	4.2
196.09700	3.1
200.07474	4.8
214.10725	5.5
215.07048	6.0
233.08063	5.1
257.08087	3.6
328.13635	3.2
346.15091	4.5
346.35434	3.1
347.13120	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.6
55.01866	4.7
56.05035	50.2
56.96565	11.5
57.03425	5.3
61.02916	5.4
69.03424	17.9
69.07086	1.3
69.30054	1.2
70.03748	1.3
70.06594	3.7
70.52340	3.0
70.52744	2.4
71.01350	1.3
71.04980	3.3
73.02926	8.0
73.03271	1.3
79.05497	1.8
81.03413	6.5
82.02918	1.8
82.06596	2.4
84.08160	5.8
84.96013	1.2
85.02902	26.9
87.04462	3.6
91.03977	2.1
91.05497	1.6
93.07068	2.4
94.06546	1.4
96.00841	3.8
96.08120	2.3
97.02887	15.1
98.06062	2.8
98.97590	15.2
99.04453	2.9
100.02202	2.6
100.11259	12.3
101.00927	1.3
101.05997	2.0
105.06999	1.4
106.39867	1.2
107.04989	1.5
108.04460	2.1
108.08129	6.0
109.02883	4.6
109.08923	1.7
110.06057	2.8
110.09691	2.7
110.97590	1.9
112.99161	4.5
113.03477	7.7
115.08672	10.7
116.98630	8.5
119.01910	5.2
120.08103	2.3
123.06805	5.1
124.05119	1.3
124.07587	2.2
127.03891	6.3
128.02318	1.5
128.98613	4.4
130.08623	1.6
130.54524	1.3
131.00175	8.5
131.01852	2.0
132.05055	1.5
133.03481	2.0
134.99680	4.5
136.03973	2.3
136.07576	23.5
137.08351	32.5
138.05522	5.4
138.09146	6.1
143.00253	2.3
145.01784	1.5
145.04967	2.2
146.02730	2.9
146.99677	1.8
148.03946	2.1
148.07574	23.4
149.01248	5.6
152.07060	2.2
153.07863	2.2
154.08607	9.4
155.01715	1.7
158.99699	4.4
161.01201	3.2
161.03008	2.4
163.02740	1.5
163.04430	1.5
166.05040	5.4
166.08635	86.4
167.02112	1.3
167.05399	2.8
167.08943	1.6
168.07739	6.2
169.04451	4.1
171.05107	2.4
172.94278	1.5
173.01237	3.5
173.02765	1.7
177.00792	2.5
178.04929	15.8
178.55202	2.9
184.04927	4.4
184.06282	2.7
184.08105	2.8
184.09674	60.7
185.03024	1.9
189.00696	3.2
189.04184	1.5
189.55762	2.9
190.95428	2.0
191.02269	3.6
193.03867	2.1
193.05542	3.3
196.09764	1.5
197.05563	10.6
206.04488	5.6
206.54608	1.4
208.96442	1.7
211.04813	1.6
214.06119	1.6
214.08202	42.1
214.10138	2.3
214.95366	2.0
219.01813	5.7
219.07303	1.9
219.17067	2.8
221.05119	3.2
231.07211	1.6
231.66670	1.3
232.96503	5.5
237.02852	9.5
245.05081	1.6
256.96518	3.4
257.05750	1.8
265.07501	12.8
265.57693	2.4
274.97394	8.4
279.04077	1.7
282.54080	1.4
286.07825	2.8
292.98547	2.8
304.98575	4.3
321.10422	3.5
322.99673	4.4
328.14130	2.2
328.18753	4.8
337.08063	3.3
346.10880	4.6
346.15030	100.0
346.19495	5.3
346.26987	2.6
347.15405	2.2
355.09372	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	346.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
56.05022	1.2
56.96567	3.1
65.03953	2.1
67.05507	1.9
68.99792	2.5
70.06584	1.6
71.57899	2.4
72.08176	6.3
77.26252	1.3
81.03400	1.6
85.02898	1.8
86.06079	1.7
86.09695	7.3
93.03434	2.1
95.04998	2.3
97.02912	2.5
98.06065	3.9
107.04971	3.0
111.04446	3.1
112.22579	1.2
114.50922	1.2
119.04977	1.2
121.02927	2.1
122.06039	1.2
123.04448	4.8
124.04023	1.7
127.03895	3.3
133.02864	1.7
134.06017	1.3
135.04420	5.8
135.28201	1.4
136.07591	3.2
137.07864	1.7
138.05524	4.2
139.03903	100.0
140.04695	3.9
149.02420	1.8
150.03145	2.2
150.05528	1.4
151.03926	15.4
152.04362	1.7
153.01828	3.9
153.05455	2.0
154.05031	2.6
155.03293	1.3
162.05569	3.2
163.03912	14.3
164.07082	2.7
166.05002	1.9
167.03432	2.4
168.04193	8.8
168.06503	1.5
175.03935	2.1
178.04987	18.5
178.06281	1.6
179.03438	3.7
180.06555	4.9
181.04987	4.1
185.16544	2.2
193.25417	1.4
202.05038	2.0
208.06062	1.7
212.01207	1.5
213.16029	1.7
241.05118	1.5
286.07172	2.6
287.05515	2.7
288.06500	1.6
301.07059	1.7
304.08167	3.7
306.07379	5.5
310.07166	2.0
328.08157	2.2
340.78830	1.3
346.09204	8.0
347.13110	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	346.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46225	0.7
53.03914	1.0
57.21297	0.8
60.04514	2.4
64.04608	0.7
65.03924	3.1
67.01881	0.8
67.05473	1.2
68.99469	0.9
68.99790	6.5
69.03409	1.0
69.67264	1.5
69.67677	4.2
70.06588	1.0
77.11865	0.8
77.81795	1.0
79.05476	1.1
80.04991	1.3
81.03407	2.1
81.07043	0.9
82.04162	0.9
82.06573	1.3
84.04497	0.9
85.99065	0.7
86.09690	1.6
89.44016	0.8
91.05454	2.1
93.03376	2.0
94.06555	1.9
95.04939	2.3
97.02864	1.3
98.21473	0.8
102.90610	0.7
105.03358	1.6
105.07049	1.0
107.04951	3.9
108.04457	1.5
109.02866	2.4
110.06043	2.4
111.00819	5.6
111.04437	3.5
117.06990	0.9
118.06503	1.4
119.04890	1.4
121.02812	3.8
121.06480	0.9
122.06045	3.5
123.04452	1.9
123.06831	4.2
126.05505	1.6
127.03905	2.5
131.04912	1.5
133.02844	2.7
134.06001	2.4
135.04387	3.4
136.03909	4.4
137.02373	3.5
137.05949	1.5
138.06343	1.1
139.03897	32.4
145.04686	0.8
145.06451	1.0
146.05975	3.2
147.04419	5.5
149.02335	15.2
150.03087	2.7
150.05486	2.3
151.03908	3.6
151.06302	5.2
152.03418	1.9
152.07095	7.4
153.01823	8.3
153.05463	1.1
154.04990	5.0
157.06448	1.1
159.04443	1.6
161.02438	0.8
161.05898	1.0
162.05478	2.4
163.03864	4.4
163.06056	1.0
164.04689	0.9
164.07050	5.7
165.01837	1.9
165.05440	0.9
166.04991	18.5
167.03387	1.6
167.33041	0.7
171.04314	1.6
173.05885	1.9
174.05466	2.3
175.03903	3.3
176.04649	2.1
177.05457	2.2
178.04980	28.0
179.03389	4.1
179.05756	3.6
180.06520	2.7
181.06476	1.8
183.04425	1.6
185.05980	2.1
189.05466	1.9
189.92067	0.9
190.04961	0.9
191.03349	2.3
191.07086	1.3
192.06541	9.7
193.04932	3.8
194.04440	2.5
194.08136	3.1
195.02878	1.1
196.06042	2.9
201.05493	3.1
202.04955	1.9
203.03383	2.5
203.05566	0.7
205.11838	0.8
207.05270	2.3
208.06070	8.6
209.04297	1.0
209.06027	1.9
213.05458	4.5
217.04886	1.7
218.08170	0.7
219.02960	3.7
220.06088	4.8
227.03354	0.9
227.06981	2.2
229.04935	6.9
229.40353	0.8
231.06482	3.9
236.09134	1.1
237.05420	5.7
241.04932	1.7
244.09608	0.8
245.04520	1.0
247.06049	7.2
254.08228	1.9
255.06616	3.5
257.04456	2.1
258.05179	1.3
259.06061	1.8
261.03760	0.9
262.07098	3.1
265.04956	3.5
265.07907	0.7
273.07477	1.1
275.05435	8.2
282.07629	1.6
283.06030	6.8
287.05484	2.1
300.08688	11.5
301.06949	4.5
303.05023	2.9
311.05389	2.7
318.09659	3.5
328.08185	8.1
329.02878	2.1
329.06516	6.5
346.09158	100.0
347.09415	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	345.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27414	1.1
56.05004	1.0
56.96558	1.6
60.05665	0.9
69.07063	9.0
70.06592	4.8
70.87830	1.6
70.88168	2.4
72.08127	1.4
84.08134	8.9
86.09704	67.1
86.91656	1.0
87.10017	1.3
97.06503	5.7
98.97554	0.9
101.00856	7.6
118.03517	6.0
119.01919	53.8
120.01973	1.0
130.03461	1.2
131.01883	2.5
132.10187	2.2
137.01965	1.7
137.02951	20.5
142.07127	3.3
144.05069	1.3
144.08672	3.6
160.08214	8.3
161.02959	1.2
162.09755	6.4
168.08699	1.5
172.08192	16.9
173.06596	1.9
174.09802	1.5
175.11949	1.0
186.08072	0.7
186.09752	23.0
190.09230	5.2
191.04045	1.3
191.07616	3.3
197.06590	1.6
204.10825	12.1
208.10297	3.1
214.09236	29.0
215.07687	3.2
230.08701	1.8
232.10303	100.0
233.10556	4.0
239.16011	2.0
240.14497	1.0
251.04362	1.1
255.11871	3.9
257.17126	1.9
267.15491	1.2
275.18179	5.3
284.17746	1.1
285.16589	11.7
286.14780	2.1
303.17670	61.4
304.17920	2.8
321.18649	8.2
326.19183	2.5
345.22495	3.3
346.13165	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99955	4.8
55.05509	35.8
57.07075	100.0
57.82538	5.8
58.21674	5.8
59.39966	5.3
67.05505	60.8
69.07061	40.4
71.08629	56.4
71.14149	15.7
71.37236	5.4
81.07057	66.3
82.97281	7.1
83.08614	69.2
85.10174	37.2
91.05466	7.1
93.07040	9.0
95.08605	92.2
97.10178	54.7
105.07066	6.1
109.10152	57.3
111.11720	14.7
123.11704	21.4
123.69576	6.1
125.13184	7.0
137.13290	15.7
327.28946	76.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77788	6.8
57.76869	6.1
65.03931	6.7
67.05499	11.4
69.03422	10.4
69.57076	18.8
69.57495	30.5
71.04996	13.8
71.15611	6.0
81.03440	6.7
81.07049	9.6
91.05476	17.4
93.07018	11.1
95.04980	13.9
97.02885	34.6
103.05418	11.0
105.07055	8.2
107.04996	8.7
107.08579	10.5
121.06552	8.5
122.74753	6.1
123.04443	30.4
130.06502	12.3
131.04918	19.6
132.08107	12.0
137.05972	100.0
138.06494	6.7
146.06013	10.2
151.03949	13.9
153.01822	15.1
153.05467	17.9
159.09181	44.9
163.07561	24.7
168.24167	6.1
171.21907	5.7
175.07530	16.2
188.07103	21.5
190.09323	7.9
191.07025	9.1
201.51988	6.8
205.09848	6.2
299.09131	7.0
299.13937	21.4
313.10980	7.6
327.12292	14.3
329.06689	11.4
345.09637	29.0
345.13345	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	345.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.4
60.00895	1.4
63.15836	1.2
63.76033	1.2
64.66895	1.2
67.05502	3.1
68.99782	3.6
69.03426	2.9
69.91686	8.8
70.06582	2.7
70.39485	1.3
78.18909	1.5
79.05483	2.4
80.73772	1.5
81.03424	3.2
81.07043	2.3
82.92818	1.4
84.83772	1.3
85.02924	2.4
85.38360	1.7
86.09680	2.0
89.55236	1.3
91.05473	5.0
94.04169	2.2
95.04942	2.2
103.05483	4.6
105.06998	2.5
107.04926	3.0
107.08523	1.5
109.02858	3.1
115.05477	1.5
115.47693	1.4
121.02869	4.0
122.03662	3.5
123.04432	4.8
127.40528	1.4
129.06976	2.9
131.04883	7.4
133.06490	5.4
135.08051	2.5
137.02342	41.4
137.03406	2.7
137.05974	40.0
138.06496	2.6
140.07097	1.7
141.06955	1.6
145.06456	2.3
147.06416	1.4
149.02350	1.9
149.06026	2.0
151.03903	4.9
151.07509	2.1
153.01842	5.1
153.05444	2.7
157.06560	2.0
161.02303	2.9
163.03972	3.0
163.07533	10.4
165.01898	1.7
167.03426	3.5
169.06381	2.2
171.04309	1.6
172.03867	1.7
173.05844	1.4
175.07605	2.6
177.01920	1.9
179.01810	1.5
179.03340	2.7
179.08524	1.4
181.04997	1.4
189.05368	2.0
189.09056	1.8
195.02873	1.7
197.06024	3.8
199.03870	2.1
202.02580	2.1
204.06583	2.3
214.06146	1.8
217.04950	2.7
225.05440	2.7
227.03386	3.3
228.04118	3.9
229.04968	3.8
231.06474	2.4
241.05042	1.6
242.05656	2.2
243.06488	2.0
245.04477	4.5
253.04916	1.9
255.02882	4.1
257.04416	1.6
259.05984	2.6
269.04492	2.4
271.06049	4.5
273.03891	4.8
273.06668	1.4
274.04660	3.6
275.05496	1.5
281.04626	2.9
283.02383	5.2
285.04059	1.7
285.07529	1.5
287.05450	5.1
288.06317	2.4
299.05518	13.9
301.03442	9.0
302.04211	22.6
303.04846	6.1
304.05276	2.5
313.06998	2.4
313.10654	2.1
315.04968	15.2
316.05701	7.9
317.06458	2.4
327.05023	5.9
329.02869	3.8
330.07303	4.4
345.06033	100.0
345.09723	25.4
345.14178	2.6
346.06381	10.9
346.09937	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	345.144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.9
57.03421	0.8
61.02922	0.5
65.03943	1.1
65.93614	0.4
67.05509	3.0
68.05021	0.7
69.03423	2.2
69.07072	5.6
71.57730	0.5
73.02910	0.4
79.05498	1.2
80.05019	1.1
81.03415	0.9
81.07064	4.8
83.05001	0.9
84.08184	0.4
84.43687	0.4
85.02901	1.0
85.06532	0.5
89.03911	2.0
91.05486	0.8
93.05797	0.8
93.07059	0.7
94.06561	13.5
95.04971	2.8
95.06965	0.5
95.08606	1.3
96.04488	0.5
97.02885	0.5
97.06531	0.9
99.08097	1.7
105.07024	0.8
107.04929	0.6
107.08567	0.7
108.08102	1.1
109.06519	1.3
109.10155	0.7
110.06019	2.4
111.08090	0.6
112.07607	1.5
113.06034	0.5
115.53491	0.4
116.04977	9.0
117.05496	1.5
118.06543	1.0
121.10138	1.2
122.06026	23.3
123.04417	1.4
123.08070	0.5
123.11720	0.8
125.09613	1.1
127.07542	0.5
133.10185	0.5
134.06013	0.9
137.06013	2.5
137.09521	0.5
139.11171	1.5
140.07060	30.9
141.07852	1.0
144.04445	17.5
144.11301	0.4
146.06009	8.2
147.06689	0.6
148.07603	0.4
149.05905	0.4
154.08664	0.7
159.07985	0.4
162.05505	8.7
162.06781	0.7
163.05991	0.5
165.12791	0.8
169.12233	0.8
172.03931	70.2
173.04343	1.6
174.05493	3.1
178.08630	1.2
183.10204	3.2
183.13794	13.4
190.04958	2.4
191.05600	0.4
192.06606	0.8
201.04022	0.4
204.06554	100.0
205.06892	3.1
206.08109	15.8
211.13333	0.8
243.10893	0.4
274.39014	0.4
300.12222	1.5
313.11826	1.6
327.13141	1.0
331.12759	1.9
345.06161	0.5
345.10065	0.9
345.15021	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	345.144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.7
57.03418	0.6
57.07068	0.6
65.03932	1.3
67.05498	2.7
68.05016	0.8
69.03408	1.8
69.07060	5.4
70.62085	0.6
70.62412	1.4
71.04974	0.5
79.05472	1.7
80.05019	0.7
81.03391	0.8
81.07059	4.8
83.04961	1.0
85.02892	1.2
85.06517	0.8
89.03904	2.1
91.05437	0.6
93.05755	0.6
94.06567	13.0
95.04952	2.9
95.08583	1.6
96.04441	0.6
97.02842	0.8
97.06521	0.7
99.04465	0.7
99.08074	2.6
105.07017	0.6
108.08084	1.9
109.06503	1.0
110.06004	1.8
112.07588	1.9
116.04970	7.8
117.05524	0.6
118.06491	0.5
121.06518	0.6
121.10116	1.1
122.06023	21.7
122.06902	1.2
123.04457	0.8
123.08050	0.8
123.11648	1.2
125.09611	1.7
127.07539	0.7
129.85376	0.7
131.04912	0.7
134.06044	1.5
137.05977	0.8
139.11142	1.3
140.07063	29.7
141.07840	1.1
144.04442	16.6
146.06003	8.1
148.07582	0.6
162.05504	7.4
165.12752	1.0
166.09834	0.7
172.03931	60.0
173.04288	1.6
174.05481	3.2
178.08717	0.6
183.10217	2.8
183.13795	17.8
190.04985	1.9
204.06552	100.0
205.06967	3.6
206.08122	14.9
243.10773	0.7
273.66391	0.5
285.12064	0.6
300.12244	1.6
305.61743	0.6
313.11584	1.6
327.13089	0.6
331.12827	2.5
332.21860	0.5
340.64294	0.6
345.15195	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	345.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.1
58.30286	0.6
61.02909	2.0
65.03933	1.3
69.03419	6.4
69.85547	0.7
70.06569	0.7
71.01371	1.0
71.03233	1.4
71.04969	0.7
73.02892	2.0
76.29190	0.7
81.03412	2.2
82.06570	1.8
85.02903	7.7
87.04424	1.5
91.03945	0.9
92.05001	1.9
94.06573	1.1
97.02870	2.6
108.04471	1.0
109.02879	0.9
109.07570	1.1
110.06026	1.5
119.06063	27.0
120.04493	4.9
122.06017	0.7
127.03886	1.3
137.05957	2.5
137.07095	7.1
138.05469	1.0
147.05524	8.2
148.03900	4.2
148.06311	31.8
149.04610	0.9
149.07101	23.9
164.05844	0.8
165.06596	100.0
166.07413	5.6
183.07649	61.3
203.28358	0.6
233.96138	0.7
284.36838	0.8
327.11752	1.0
345.12909	78.2
346.13327	1.3
369.27542	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05472	6.2
57.40771	5.2
63.76009	4.9
69.03390	5.9
70.06587	5.8
70.92400	8.2
70.92739	11.2
72.08165	7.0
76.69405	5.7
80.99645	5.2
81.03426	6.0
81.07047	9.2
86.09699	22.2
93.60909	5.8
94.40020	5.8
102.46747	6.2
107.04977	7.2
123.04411	8.2
128.65219	5.4
131.04919	11.1
135.04411	5.4
137.05975	21.7
161.05893	5.3
161.14053	5.3
167.07060	9.8
167.08490	5.4
172.03954	7.1
183.12070	6.3
185.16475	7.8
191.07059	7.9
204.06580	10.2
227.06859	7.2
229.05083	5.8
241.04990	8.2
242.05847	8.9
255.06564	8.7
256.07181	13.0
283.05667	8.1
284.06833	13.0
299.05408	7.9
312.06226	14.6
313.10770	15.8
315.05020	6.3
330.07233	12.3
345.06000	11.6
345.09644	100.0
345.13290	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	0.8
67.05477	0.6
67.77865	0.5
69.97695	3.3
79.05485	1.0
81.07066	0.7
86.58810	0.6
91.05476	1.5
94.04185	4.5
95.04948	0.6
103.05463	1.1
107.04970	0.7
109.06524	1.5
115.05464	1.7
116.04990	1.0
121.06485	0.9
122.03641	10.4
122.06027	2.3
131.04890	2.6
137.05974	100.0
138.06288	1.5
140.07048	2.1
143.04922	1.2
144.04445	1.2
147.04396	0.8
149.05980	1.6
151.03938	1.0
153.07030	0.9
160.05212	0.8
161.05983	4.3
163.07515	0.6
165.05740	0.8
165.06949	3.0
167.08484	0.6
172.03932	5.7
175.07523	3.3
178.07790	1.3
179.08580	1.7
181.06514	0.8
182.07228	0.7
189.06964	0.8
191.07016	3.4
193.06497	0.8
194.07254	0.7
195.08119	0.8
196.08809	0.9
197.09526	0.7
202.34456	0.6
203.07016	1.6
204.06543	7.5
205.06532	1.3
206.07892	0.5
207.08067	1.9
209.06050	0.6
210.06749	1.6
221.05962	1.9
221.07962	0.8
222.06793	1.1
223.07568	1.0
224.08333	0.8
225.09087	1.8
233.06180	0.7
234.06665	1.3
235.07475	1.4
237.09071	1.8
238.06334	0.8
239.07062	0.9
239.10693	1.2
249.08958	1.3
249.66129	0.6
250.06343	0.6
251.06972	1.2
252.07881	0.8
253.08597	3.3
265.08600	2.7
266.09225	0.7
267.10187	3.1
270.09033	0.8
277.08591	1.7
279.06537	0.6
285.11121	3.3
294.08884	2.2
295.09729	0.8
297.11227	1.6
309.11249	3.2
318.22968	0.5
345.13330	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0969
Annotation	3',4',5'-O-Trimethyltricetin
Peak:m/z	Relative Intensity
55.05503	1.0
57.07068	0.5
63.89336	0.5
67.05515	0.7
68.50662	0.4
69.03423	0.9
70.02954	1.2
70.06541	0.7
70.10184	1.8
70.10592	0.8
71.08604	0.5
79.70203	0.5
79.80820	0.5
81.07041	1.0
85.02882	0.7
86.09723	2.9
88.03989	0.8
91.05451	0.6
95.08522	0.6
97.02881	2.2
99.08127	0.7
100.11285	0.7
107.04961	0.9
107.08596	0.5
111.04362	0.6
119.35705	0.6
120.04483	0.6
121.06486	1.1
123.04420	1.3
131.04968	0.9
132.10214	0.9
135.04459	0.6
137.02286	0.6
137.05981	1.9
139.03864	0.8
146.87485	0.5
147.04385	0.5
151.07526	1.4
152.07913	0.8
153.01857	3.0
159.77678	0.6
161.05983	1.2
163.03891	2.1
163.05060	1.7
164.05391	1.0
167.07037	1.9
170.02121	0.7
178.02547	0.8
178.06230	6.2
178.07657	0.8
179.03302	0.6
189.05344	0.7
191.07060	0.9
199.07646	0.7
201.12390	1.3
202.62613	0.6
203.03374	1.0
213.05482	0.9
216.04190	4.7
217.04988	2.0
227.03415	1.7
227.06793	0.8
228.04170	0.9
229.04916	0.6
231.02863	1.2
231.06531	2.7
241.04959	1.8
243.06532	1.9
244.03638	4.0
247.12895	1.0
255.02893	15.8
255.06665	0.9
256.03424	0.7
259.06064	4.6
269.04407	4.1
272.03128	1.2
281.04556	0.8
283.02426	2.5
283.06082	1.4
284.03131	2.2
284.06897	1.5
287.05511	12.7
287.08875	1.0
297.04111	2.8
299.05533	2.2
299.08939	0.8
300.02704	6.3
311.05591	0.7
312.06308	1.2
313.07047	1.0
313.10559	1.3
315.04977	68.5
316.05362	1.9
327.12311	0.9
329.06546	1.6
330.03702	0.7
330.07312	22.0
345.09674	100.0
346.10004	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	345.1156
Annotation	Clotrimazole
Peak:m/z	Relative Intensity
55.05505	2.7
56.31248	1.6
56.96571	1.4
57.92092	1.4
69.03414	2.8
69.07063	2.2
70.06569	3.3
71.58439	2.4
72.08150	5.7
73.50235	1.4
78.09676	1.4
81.03381	1.6
83.64781	1.5
85.02912	3.3
86.09676	3.7
91.05465	2.3
95.04934	2.1
97.02886	1.9
104.31728	1.6
107.04939	5.6
112.11238	5.1
119.01897	2.6
119.08675	2.0
137.05977	5.6
140.07056	3.0
140.10672	2.9
151.03893	13.1
182.08241	2.2
183.06555	2.9
183.09914	2.2
183.11359	10.6
187.00781	2.0
191.07027	3.9
243.49736	1.7
259.11502	4.3
271.04138	2.1
296.82266	1.7
301.12598	22.7
313.10721	3.7
319.58987	1.6
345.11551	100.0
345.15128	6.1
369.49677	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0968
Annotation	3',8-Dihydroxy-4',6,7-trimethoxyisoflavone
Peak:m/z	Relative Intensity
55.05503	1.8
60.50976	0.8
62.96655	0.6
65.03928	0.9
67.05495	2.3
68.99813	0.9
69.07075	0.9
70.97574	0.8
79.05486	1.2
81.07051	1.9
83.04965	0.8
86.75415	0.8
87.21948	0.7
91.05466	1.2
93.07020	1.0
95.08601	2.1
103.31995	0.8
104.36678	0.8
105.06976	0.9
107.04961	1.7
107.08566	0.9
109.06533	0.8
109.10146	1.6
116.35689	0.7
121.06530	1.6
121.10092	0.8
122.06825	0.9
123.04459	2.1
135.04442	1.2
137.05954	1.1
145.10118	0.9
147.04434	1.0
151.07512	1.3
153.01819	3.3
159.08131	1.0
163.03864	4.4
167.07079	2.0
178.06273	10.3
179.03439	0.9
180.94034	0.8
191.03413	1.1
203.03395	1.8
204.04172	1.7
213.05582	1.2
216.04153	6.4
217.05058	1.0
221.04344	1.5
227.03410	3.5
228.04279	1.3
231.02882	1.6
241.04890	2.0
243.06497	2.3
244.03658	4.5
245.04228	1.1
255.02913	15.8
256.03430	1.4
259.03162	1.0
259.06018	7.3
269.04468	5.5
271.05853	1.4
272.03046	1.0
281.04495	1.1
283.02380	3.2
283.06082	2.6
284.03113	1.8
284.06448	0.7
287.01932	3.3
287.05414	16.9
297.03809	4.5
298.01208	1.8
299.05414	3.6
300.02698	4.7
312.06201	3.0
313.03671	1.9
313.06976	3.2
313.10422	0.9
315.01331	11.2
315.04971	52.8
316.02011	0.9
316.05429	2.9
329.06659	1.2
330.03622	11.5
330.07333	29.7
331.07526	1.4
345.05975	17.6
345.09683	100.0
345.25256	1.7
346.06326	1.6
346.10007	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	345.0969
Annotation	8,3'-Dihydroxy-7,4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
52.34393	0.5
55.01864	0.8
55.05505	1.2
55.43253	0.6
62.27023	0.6
65.03928	1.3
65.19233	0.6
67.05480	1.9
69.07072	1.6
70.17039	2.7
71.04996	0.7
75.91144	0.6
79.05492	1.0
81.07049	5.6
85.02892	0.8
91.05473	2.3
93.07036	1.5
94.04177	0.6
95.04982	1.5
95.08601	3.3
98.21528	0.8
103.05432	0.9
105.07011	2.0
107.04964	1.4
107.08546	1.7
109.10141	2.3
111.04430	2.2
119.08604	0.7
121.06454	1.0
121.10152	1.0
122.03705	1.1
123.04428	2.2
123.11674	1.4
124.07585	0.9
131.04897	2.5
133.02863	1.7
133.10193	0.7
134.03662	0.7
135.11795	1.3
137.02335	10.3
137.05972	8.3
139.03926	1.0
141.06911	0.7
145.06490	1.0
147.04416	1.6
148.05121	1.7
149.02313	1.3
149.06003	1.1
149.13304	0.8
151.03897	1.2
153.05470	0.8
153.06998	0.8
154.65291	0.6
157.06429	1.1
161.05927	0.9
163.03903	1.5
165.07007	1.3
169.06534	0.9
171.04393	1.3
175.03825	1.5
175.07552	1.3
176.04684	1.1
177.05496	0.8
179.03395	4.7
181.06430	1.1
182.07301	0.8
183.08038	0.8
185.05988	1.6
187.03928	2.8
188.43898	0.7
189.05469	0.9
191.03419	1.3
191.07065	2.1
193.05023	2.0
193.08556	0.9
194.05725	1.8
195.07994	1.0
196.05225	1.3
196.08788	0.8
197.00896	0.7
197.06007	2.3
198.06818	1.6
199.03973	3.9
200.04649	0.8
201.05524	2.2
202.02641	2.1
206.04593	1.0
207.02901	1.3
207.08127	1.2
210.06776	1.6
211.03937	0.7
211.07585	1.2
213.05464	5.7
214.06119	1.7
215.03328	4.5
215.06996	1.0
216.04150	1.6
217.04987	1.6
220.03696	0.8
223.07567	1.0
225.05554	4.2
225.09084	1.4
226.06271	1.7
227.03433	5.3
227.07030	2.5
228.04146	1.7
228.07857	0.7
231.06508	11.9
237.05519	1.7
238.09784	1.5
239.03445	1.1
239.07040	2.3
241.04900	3.9
241.08591	1.7
242.05702	1.0
243.06494	2.5
244.03731	1.2
245.04489	3.2
252.07704	0.8
253.04955	2.2
253.08484	1.6
254.05579	1.3
255.02881	6.4
255.06610	1.7
256.07324	2.7
257.07977	1.4
259.05981	6.5
266.05740	1.1
267.02811	1.0
267.06512	1.6
267.10120	2.1
268.07343	2.3
269.04434	10.4
269.07968	2.6
270.05124	2.7
270.08725	0.9
271.13220	0.8
281.04419	2.2
282.05103	1.0
283.02380	10.1
283.05942	2.0
284.03168	1.9
284.06778	2.7
284.10144	0.9
285.07596	7.8
285.10788	1.2
286.08313	0.8
287.05530	6.0
294.05066	1.6
295.06140	0.7
295.09613	1.7
296.10489	0.9
297.03949	7.1
298.04498	0.7
299.05518	3.7
299.09134	7.4
299.12601	1.6
300.02661	2.3
301.07108	1.8
311.05353	1.1
312.06454	4.1
313.07037	3.7
313.10739	5.8
315.04959	33.2
315.08664	1.6
316.05292	1.5
327.12283	9.3
330.07321	22.8
335.67908	1.0
345.09674	100.0
345.13126	5.6
346.09933	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0962
Annotation	8,3'-Dihydroxy-5,7,4'-trimethoxyflavone
Peak:m/z	Relative Intensity
52.73106	0.5
53.03923	0.8
55.05498	1.1
55.07258	0.6
56.67289	0.5
56.87319	0.6
58.91717	0.6
66.21783	0.6
67.05447	0.7
68.99773	1.0
69.03387	0.9
71.04968	0.5
71.57848	0.9
79.05486	1.1
81.03415	1.4
81.07041	1.2
82.63574	0.5
85.02879	1.2
89.03912	0.7
91.05465	1.6
93.07046	1.6
95.08613	1.1
97.02866	0.9
98.97563	0.5
100.11246	2.3
101.11564	1.3
105.07021	0.9
107.04971	0.9
107.08598	1.0
115.05418	0.7
116.98605	0.9
118.04157	0.9
119.04915	0.7
119.82287	0.5
121.02874	1.0
121.06511	1.2
123.04414	2.3
131.04976	1.3
133.06496	0.8
133.51836	0.5
135.04422	0.7
137.02341	10.1
137.05989	3.9
141.06964	1.7
144.05690	0.7
145.06465	1.1
145.10153	0.6
146.03581	0.7
147.04349	1.3
149.02278	1.5
149.05966	3.1
151.03877	1.6
152.06186	0.7
157.06526	0.7
158.06068	1.1
158.07251	1.5
161.05998	1.0
163.03918	4.2
164.04709	0.7
165.05475	1.0
165.10344	0.9
167.07104	0.9
169.06520	1.5
171.04402	1.3
173.05925	1.0
177.01857	0.8
177.05472	1.2
178.06194	1.0
181.06470	1.5
183.07994	0.7
184.05144	1.5
185.05907	1.1
186.06767	2.1
187.03889	1.3
187.07455	0.7
191.07008	1.4
192.04164	1.0
193.04927	1.9
194.05757	1.0
195.08041	0.7
196.05177	1.1
197.05951	5.4
197.66353	0.7
198.06738	2.1
199.03882	4.7
200.04636	1.9
201.05496	3.3
201.07233	0.7
201.09120	4.1
202.02588	1.8
207.02881	1.5
211.03926	1.7
211.07500	1.1
212.04555	3.2
213.05457	6.6
214.06204	1.9
215.03447	0.6
215.07033	1.0
217.04942	1.3
220.03679	1.7
223.02386	2.1
223.13362	0.6
224.04660	1.3
225.05443	11.7
225.09016	0.6
226.06227	1.3
227.03398	9.8
227.06924	4.5
228.04097	0.7
229.08606	6.4
231.02812	1.7
231.06525	1.5
237.05461	0.8
239.03397	6.0
240.04115	1.1
241.04982	3.7
241.08563	2.6
242.05753	6.2
243.06551	1.6
244.03627	0.9
245.04469	1.0
252.04126	0.6
253.04874	2.7
254.05769	3.6
255.02887	16.9
255.06538	1.6
257.08102	15.9
257.10953	0.8
258.08618	0.7
259.06094	2.3
267.02890	10.2
268.03650	1.7
269.04437	7.3
269.08084	1.2
270.05249	4.2
271.06000	1.2
280.03723	1.2
281.04510	1.9
282.05219	15.9
283.02365	5.3
283.05783	1.5
284.03195	0.8
285.07568	56.5
286.08002	1.9
287.05478	7.6
297.03909	4.0
298.04764	10.6
299.05579	3.1
299.08771	0.8
302.17331	0.9
312.06284	1.2
313.07071	31.5
313.10562	2.2
314.07339	1.6
315.04968	11.9
321.12195	1.7
327.12311	0.9
329.06384	0.8
330.07477	3.5
344.30991	1.4
345.09674	100.0
345.30994	1.2
346.09918	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	345.0967
Annotation	8,3'-Dihydroxy-5,7,4'-trimethoxyflavone
Peak:m/z	Relative Intensity
53.20656	0.3
55.05498	1.4
57.03432	0.3
61.67992	0.4
64.47591	0.4
67.05489	1.1
68.99796	0.9
69.07049	1.2
69.95126	1.5
75.50900	0.3
76.94630	0.5
78.04713	0.4
79.05491	0.7
81.07045	1.2
84.04456	0.5
85.02911	0.4
89.90917	0.4
91.05470	1.3
93.07061	0.7
95.04955	0.6
95.08596	1.0
96.02122	0.4
97.06501	0.4
98.21471	0.5
100.11248	1.5
100.47993	0.3
103.05446	0.6
105.07001	0.8
107.04960	1.0
107.08537	0.6
108.84072	0.3
109.10159	0.4
111.04463	2.6
115.05354	0.4
118.04128	0.6
119.04924	1.1
119.08578	0.6
121.06512	0.6
121.10127	0.7
122.03642	0.4
123.00819	0.5
123.04417	0.7
125.06011	0.8
131.04915	1.7
133.02847	1.3
133.06520	0.5
133.10187	0.4
135.04518	0.6
137.05946	2.1
138.03125	0.6
139.03882	1.8
141.06975	0.6
145.06476	0.8
148.05179	4.1
149.02367	1.2
149.05975	2.5
151.03903	1.5
151.07507	1.5
152.01054	1.5
153.05444	1.3
161.02386	0.7
163.03906	1.3
164.04652	1.4
165.06949	0.5
167.03412	13.1
167.07025	0.6
167.08470	0.3
168.05717	0.6
169.01364	0.9
169.06429	0.9
171.04369	0.5
175.07640	0.6
177.01813	2.0
177.05446	1.2
178.06241	0.9
179.03351	0.4
179.06993	0.7
181.06496	0.9
183.08176	0.4
184.03687	3.1
185.06110	0.4
186.06772	1.4
187.07539	0.5
191.03455	0.5
191.06989	2.5
192.04138	1.0
193.04993	0.7
196.05217	0.4
197.04492	0.7
197.06021	1.8
198.02988	0.4
198.06712	0.6
199.03963	1.4
199.07523	0.4
200.04649	0.6
201.05476	0.9
201.09103	1.3
204.29482	0.4
205.04953	3.2
206.05684	0.6
208.03586	0.8
209.05988	0.4
210.06828	0.6
210.14899	0.7
211.04010	0.8
211.07486	0.6
213.05411	0.9
214.06238	2.6
216.04102	0.5
217.04968	1.8
219.06593	0.5
223.05902	0.6
223.07835	0.4
225.05553	1.0
226.06235	2.0
227.03407	1.6
227.07057	1.5
228.04124	0.4
228.10492	0.4
231.06351	0.9
235.07468	0.5
239.03389	1.2
239.06976	0.5
241.04962	5.0
241.08563	1.1
242.05731	17.2
243.06461	1.7
245.04469	2.0
252.07762	0.5
253.04909	0.8
253.08638	0.8
254.05675	1.2
255.02821	1.9
255.06569	1.7
256.07349	1.2
257.08090	8.4
258.08499	0.6
259.06012	1.9
267.06390	0.6
267.10165	1.0
269.04526	1.6
269.07986	1.0
270.05234	10.0
270.08353	0.7
271.05960	1.4
281.04459	2.1
281.08032	1.2
282.05066	0.6
283.02292	0.6
283.05920	0.8
284.06799	4.0
285.07581	23.0
286.07919	1.2
287.05655	2.2
289.10767	0.7
295.09659	1.0
297.07651	0.6
298.04727	7.6
299.05698	0.5
299.09061	0.6
301.07193	2.0
311.05505	2.2
312.06192	1.4
313.07071	13.3
313.10699	3.8
314.07660	1.1
314.11099	0.5
315.04901	2.2
315.08203	0.5
317.10187	1.0
327.08633	0.5
327.12314	0.8
329.06540	4.7
330.07211	3.9
345.09680	100.0
345.12817	4.3
346.10043	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.243
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	10.4
57.03435	11.5
67.05491	30.1
69.07063	23.4
69.27308	98.7
69.27720	16.2
79.05482	42.1
81.03387	13.7
81.07052	28.3
91.05477	25.6
93.07041	21.2
95.04953	34.1
95.08624	14.4
97.06523	99.9
105.07012	20.2
107.04977	13.0
107.08611	9.9
109.06503	15.7
119.08551	11.1
121.06493	54.7
122.05987	24.2
131.38312	11.0
137.05974	15.0
138.09166	12.6
145.10104	10.8
148.03917	60.8
151.07512	23.2
153.05518	10.5
195.13885	11.5
207.10110	16.3
270.05087	15.8
270.07733	15.9
285.07547	31.6
287.07788	21.2
301.09250	10.9
301.15625	10.4
302.10202	100.0
303.52512	10.4
331.11960	10.7
344.11267	16.2
344.18427	24.8
344.22440	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	344.243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	9.8
57.03433	18.6
61.02906	6.8
62.81451	8.4
64.55838	8.5
67.05513	28.0
69.07062	28.5
71.05012	12.6
71.17943	13.9
79.05493	35.0
80.20448	8.3
81.03390	10.5
81.07063	26.8
84.08202	6.6
85.02892	8.6
85.81696	7.1
91.05471	22.0
92.50509	7.6
93.07043	29.5
94.72446	6.5
95.04985	20.4
95.08633	12.3
97.06528	86.3
99.08135	8.1
105.07004	17.0
107.04977	12.5
107.08567	16.6
115.07580	16.5
121.06512	54.3
133.10156	10.0
135.08028	8.8
137.06110	9.7
146.05940	7.5
147.11711	9.0
148.03941	62.0
151.07527	15.9
151.13254	9.3
153.05484	20.2
159.11713	9.6
171.04274	7.8
207.10269	15.4
270.07535	9.5
270.14932	11.7
272.05591	8.0
274.10623	17.7
285.07437	35.7
286.07169	17.1
287.08087	12.1
302.10214	100.0
344.11362	15.1
344.18347	12.1
345.06195	8.7
355.67007	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	344.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	69.2
57.03419	8.6
67.05504	78.3
69.03441	11.2
69.07074	29.2
70.19804	17.3
71.04990	7.4
77.67165	4.8
79.05494	69.0
81.03395	13.2
81.07052	49.3
83.04980	11.9
83.08618	33.1
91.05475	48.0
93.07040	52.5
95.04436	4.7
95.04955	31.5
95.08624	30.4
97.06556	6.7
97.10159	57.9
103.05453	14.2
105.07050	28.2
107.08599	53.5
109.10154	25.4
117.07011	7.2
119.08557	13.8
121.05665	7.1
121.06506	100.0
121.10129	12.1
123.08035	6.9
125.09643	50.5
131.08583	9.4
133.10153	7.4
135.08017	6.2
139.11192	6.4
145.10069	8.5
147.11681	5.8
149.09598	7.1
153.09152	5.1
157.10065	5.6
173.11691	4.8
189.11221	65.6
223.13232	5.3
275.20007	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
57.03434	0.5
61.02924	0.6
65.62675	0.3
69.03427	2.3
70.06572	0.3
71.58121	0.6
73.02911	0.4
75.36321	0.3
81.03393	1.0
83.71249	0.4
84.04494	0.5
85.02418	0.6
85.02899	5.8
91.05464	1.7
97.02882	1.5
107.03488	0.6
109.02881	0.8
109.05108	0.5
116.98589	0.6
119.04935	6.2
122.06004	0.4
123.04412	0.9
127.03889	1.3
134.04605	8.3
135.02960	0.6
137.05959	0.7
140.02763	1.1
145.04951	1.1
146.65851	0.3
147.04402	27.9
152.05649	2.5
163.03889	0.4
164.06970	0.8
165.02348	2.7
165.05473	12.5
165.06883	0.6
167.02599	1.1
182.04955	100.0
183.05135	1.2
191.86963	0.3
224.27834	0.3
232.25633	0.3
344.10205	13.0
344.13190	0.5
345.10510	0.4
345.14850	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39209	2.2
66.04715	2.8
71.32615	5.6
87.00658	2.5
103.05483	10.0
112.97579	2.4
117.07005	5.9
118.68551	2.5
122.03696	4.5
131.04939	30.4
134.88991	2.8
137.05981	100.0
145.06494	5.0
163.07538	75.9
163.26453	2.6
177.09061	5.3
205.08635	26.6
223.09714	11.7
296.06351	3.0
297.14322	2.7
344.17456	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	344.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.9
60.04531	1.2
61.02925	1.7
64.77610	0.8
69.03431	4.2
69.23764	11.7
70.06579	6.9
72.08149	2.6
79.52379	0.8
81.03439	1.1
84.08138	2.1
85.02901	18.0
86.09690	7.3
88.03989	1.2
91.05464	8.3
93.36456	1.0
95.04921	1.2
97.02890	4.1
99.04489	0.9
107.05023	0.9
109.02863	1.2
111.32439	1.0
116.07084	8.3
119.04935	22.2
120.08088	0.9
123.04411	1.5
127.03899	4.3
129.10243	1.4
145.04922	2.9
145.30182	1.1
147.04404	100.0
148.04758	1.5
149.05962	1.0
153.01886	1.1
165.05469	45.2
166.08559	0.9
184.13542	0.8
194.06407	1.1
201.12386	3.0
248.74677	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
66.18398	1.4
67.05486	2.2
70.71399	3.1
70.71770	3.0
79.20252	1.6
81.07055	3.4
86.09714	2.9
86.11387	1.4
95.08642	2.1
103.05479	10.2
109.06533	1.5
109.10074	1.9
117.07007	3.9
122.03665	6.1
131.04013	2.9
131.04935	32.5
137.05978	100.0
145.06471	5.0
161.05988	1.9
163.07550	63.0
164.07854	1.5
177.09097	2.0
205.08595	18.2
223.09685	10.0
259.87680	1.5
266.93436	1.3
344.17624	1.7
368.56049	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.4
58.94209	0.6
60.04527	1.2
61.02917	1.6
69.03425	2.6
70.65059	2.3
73.02882	0.8
73.80590	0.7
81.03429	2.0
83.85390	0.8
85.02899	10.9
85.03387	1.2
91.03940	1.2
91.05420	0.9
97.02892	4.3
107.04951	100.0
108.05302	1.0
109.02884	0.8
127.03910	2.7
127.81325	0.7
137.05981	3.2
139.03915	2.9
140.07047	1.0
145.04944	3.3
147.07991	0.7
160.74556	0.7
165.09109	13.0
172.03888	0.9
180.08655	1.1
201.80754	0.7
204.06569	1.9
237.02914	0.8
345.11395	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	344.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.05494	0.7
55.39620	0.6
67.05486	1.4
69.07057	1.4
70.06567	0.9
70.18648	0.5
70.27388	2.6
79.05115	0.6
79.05495	5.7
79.05914	0.9
80.04993	0.7
81.07024	2.3
91.05476	4.0
93.07039	3.8
94.06578	0.9
95.04941	0.7
95.08578	2.2
98.21433	0.9
103.05465	11.0
105.07011	3.3
107.04952	7.0
107.08570	1.4
108.08115	15.4
109.08926	0.8
110.09668	1.9
117.06912	0.5
117.31246	0.5
119.08563	1.1
120.08108	4.5
121.06522	0.5
121.10156	0.7
122.09666	9.9
123.10429	2.3
126.12819	0.6
129.07076	0.6
130.06512	3.6
131.04938	7.2
132.08073	2.3
134.09601	1.0
134.93948	0.6
135.11679	1.9
136.11221	5.8
137.05962	1.4
137.13271	0.8
147.04355	1.0
150.12779	24.9
150.14003	1.2
151.13567	7.0
152.10715	0.7
152.14330	3.5
164.04727	1.1
164.14375	1.0
166.12271	0.7
167.03323	1.5
180.10222	5.5
184.03647	1.0
186.15915	0.6
191.07007	1.9
197.05949	0.8
199.03928	0.9
200.14334	1.8
208.13484	0.7
209.06108	0.6
211.07668	0.6
213.05540	1.4
214.06128	0.8
227.07027	2.4
228.10149	1.2
240.85536	0.6
241.04929	1.6
242.05768	2.0
246.11264	1.1
246.14926	1.3
254.19011	2.7
255.06541	2.4
256.07288	2.4
256.13205	0.7
257.08270	0.6
269.04572	1.2
270.05188	0.8
270.14841	2.1
277.12015	0.7
283.05939	0.8
284.06808	2.7
285.07547	1.5
295.09714	0.8
300.19571	100.0
301.07263	0.7
301.19870	3.8
302.21124	3.4
312.06274	2.3
313.07224	0.9
313.10709	2.0
330.07358	1.7
344.22198	49.6
345.09674	21.4
345.13336	1.7
345.22488	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16841	8.2
54.96847	8.8
55.05501	24.3
62.07030	7.4
67.05491	42.7
69.03442	13.8
69.07072	43.2
71.04993	10.4
79.05474	28.9
81.07061	100.0
83.08617	11.0
86.68834	8.5
91.05465	31.3
93.07047	47.6
95.04971	20.3
95.08623	63.6
103.05446	9.9
105.07020	38.5
107.04944	14.3
107.08592	27.7
109.06501	9.7
109.10153	37.8
111.08099	9.3
119.08591	28.2
121.06506	21.6
121.10133	30.7
123.04435	16.1
123.11713	33.7
126.15702	8.4
131.04912	13.2
131.08524	16.5
133.02846	21.4
133.10139	22.7
135.11674	13.4
137.05977	41.8
137.13231	13.6
139.03979	11.4
145.06493	12.1
145.10132	10.9
147.04427	14.6
147.11676	20.3
149.06009	14.2
149.09691	11.5
151.03889	16.8
161.13281	11.7
175.07465	14.9
175.14815	9.9
181.06580	9.0
189.09012	10.9
195.08073	9.5
219.06528	9.9
224.81148	8.6
257.08121	15.4
265.08658	11.2
283.09668	25.7
311.08478	8.6
313.15363	10.3
315.12082	16.0
325.10617	11.7
340.93002	9.8
343.08066	12.4
343.11850	61.7
344.12137	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	343.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47228	8.4
55.05506	26.0
57.07057	9.3
63.00558	8.7
64.97389	8.7
67.05493	30.9
69.07075	51.4
70.50917	28.5
79.05497	20.2
81.07053	100.0
83.08605	16.8
91.05476	30.2
93.07063	42.0
95.04964	20.0
95.08617	64.8
105.07037	38.6
107.08565	38.8
109.10159	46.6
111.08088	10.7
117.07019	11.1
119.08566	18.4
121.10153	30.9
123.11700	32.8
123.12511	9.2
131.08565	11.8
133.02849	10.1
133.10107	17.2
135.11684	20.9
137.05974	20.2
137.13242	14.8
145.10172	9.2
145.45955	9.2
147.11681	18.5
149.13181	9.6
151.11183	8.8
161.13316	13.3
163.14801	9.1
173.05931	8.6
214.17963	8.1
217.76469	8.2
227.75706	9.1
343.11887	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	343.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.9
55.01860	6.0
55.05513	22.9
57.03436	10.4
57.07081	9.6
59.05004	5.7
61.47269	2.3
65.03941	3.4
67.05502	33.5
69.03432	9.8
69.07076	7.1
71.04996	27.6
79.05493	35.5
81.03407	5.0
81.07055	34.3
83.04989	4.7
85.06544	5.5
91.05476	45.1
93.07045	87.6
95.04971	65.9
95.08607	100.0
97.06526	20.0
98.20785	3.8
101.40044	2.1
105.07030	99.3
107.04969	4.8
107.08594	65.4
109.06519	21.1
109.10180	7.4
115.05476	8.7
117.07014	35.8
119.08579	36.1
121.06499	20.7
121.10139	18.5
123.08089	28.8
124.38799	2.5
125.06007	5.0
128.06224	3.5
129.07011	8.3
130.07779	17.1
131.08591	14.0
133.06517	5.6
133.10143	19.1
135.08061	27.4
135.11693	21.0
137.09633	7.5
142.07797	3.6
143.08565	18.0
145.06473	3.2
145.10121	88.4
146.10464	3.8
147.08035	21.2
147.11703	7.1
149.09625	8.5
151.07547	47.6
153.09105	5.2
156.09358	4.0
157.10184	9.1
159.08006	4.7
159.11697	8.7
161.09622	13.0
161.13293	5.3
163.07500	3.0
163.11180	73.6
164.11583	3.0
165.09097	21.4
169.10204	3.1
171.11668	10.9
173.09685	3.6
173.13310	5.9
175.11107	3.7
177.09125	9.9
179.07043	7.1
179.10590	2.7
181.10178	4.0
185.09862	2.6
185.13266	4.6
187.11177	6.1
189.12769	9.6
191.10730	3.3
191.14348	3.6
195.11678	2.3
197.13327	3.3
199.11397	2.6
203.14262	11.2
207.10167	3.9
207.13797	5.6
209.13303	3.7
215.14276	4.0
217.12305	4.4
221.15399	28.2
233.15475	2.7
241.15971	2.7
243.13882	3.7
263.16431	8.3
269.15338	3.6
286.19366	4.3
297.17880	2.5
325.21735	12.7
343.18945	5.0
343.22644	66.6
343.26147	3.5
344.23163	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.2
55.01863	11.2
55.05266	5.2
55.05508	74.2
56.96560	4.2
57.03431	19.9
57.07055	5.7
67.05172	5.4
67.05503	70.2
69.03424	5.0
69.07068	61.5
70.08416	12.1
71.04994	10.2
73.42085	3.4
79.05489	58.8
81.03420	3.9
81.07053	96.7
83.04990	14.0
83.08615	43.9
85.02858	2.6
85.06537	8.9
91.05460	21.9
93.07038	67.6
95.04981	10.4
95.08601	100.0
97.02878	4.2
97.06521	17.4
97.10168	27.4
105.07023	16.8
107.04949	4.9
107.08584	33.0
109.06525	4.1
109.10149	54.5
111.08067	9.5
111.11706	3.9
117.07014	4.8
119.08595	18.8
121.06544	4.8
121.10142	40.4
123.04454	5.7
123.08044	4.4
123.11689	22.1
125.09641	12.2
129.07022	4.1
131.08557	13.8
133.10117	13.0
135.08000	3.1
135.11681	16.0
137.06058	4.6
137.09599	6.2
137.13272	4.7
139.03897	4.4
139.11205	14.3
143.08633	2.9
145.10182	14.4
147.04401	3.9
147.11658	8.0
149.09616	5.9
149.13275	11.0
151.11140	6.1
153.48779	3.2
157.10179	3.1
159.11688	13.6
161.06036	5.8
161.13275	4.4
162.03181	5.5
163.11179	5.8
169.12289	3.0
173.13293	6.6
175.07552	5.8
175.14732	3.7
187.13322	5.9
191.03334	20.9
191.17944	3.9
205.19559	3.1
209.15349	3.8
215.18004	20.9
233.19023	30.4
251.20056	75.7
256.11588	3.0
260.09369	3.3
265.08618	2.9
269.21115	4.5
302.72812	3.1
313.07129	2.8
325.23654	10.7
333.39398	3.1
343.08157	17.3
343.11880	10.1
343.25000	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	343.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81074	3.6
51.84005	2.8
53.03934	5.4
55.01858	4.6
55.05519	4.9
57.03439	3.6
63.24192	2.9
65.03941	6.1
66.53922	2.7
67.05495	29.3
69.07069	18.2
70.06606	15.9
71.04984	10.6
71.58310	5.2
73.88874	3.4
79.05506	21.8
81.03433	3.6
81.07057	100.0
83.04989	7.6
83.08572	4.0
85.02886	3.3
85.06547	18.5
91.05476	18.3
93.07053	25.7
95.04968	35.7
95.08602	13.8
97.06519	16.3
99.04480	8.8
103.05502	2.9
103.87606	2.6
105.07008	23.8
107.04926	5.4
107.08582	14.4
109.06510	53.1
109.10159	6.8
111.08083	5.8
113.05966	5.2
117.07007	6.3
119.04924	5.4
119.08546	10.4
121.06517	10.2
121.10150	10.1
123.04427	10.4
125.05995	9.0
125.09679	3.7
126.27081	2.9
127.07561	23.1
128.06200	4.1
129.07056	3.6
131.04880	4.6
131.08537	9.8
133.06502	6.9
135.08008	3.2
135.11691	9.6
137.05972	54.2
141.05511	5.3
143.08562	3.6
145.06479	3.6
145.10143	33.6
147.11705	4.8
149.13167	3.2
153.05482	4.8
155.07034	6.0
159.08047	4.2
159.11687	13.6
161.06017	11.5
163.07591	5.8
163.11169	22.5
169.06537	4.3
169.10146	6.4
173.09598	21.9
175.07607	10.7
187.11205	34.2
189.12799	4.8
191.10670	22.9
195.07954	3.7
205.12225	22.1
209.11830	18.8
215.10649	23.9
222.06677	4.3
223.13293	4.1
227.12709	3.5
233.11679	22.4
237.09241	4.1
239.06926	3.1
251.12802	30.4
265.08618	8.7
282.08847	7.5
293.08179	4.5
293.11765	3.8
294.28470	3.0
297.11118	10.7
311.12839	4.7
343.11884	8.9
343.17688	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	343.227
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
52.97144	11.7
55.05523	24.1
58.58087	12.6
59.04989	14.6
64.71919	12.8
67.05516	24.8
71.05000	18.6
71.58809	20.2
71.59191	13.2
79.05498	14.6
81.07052	44.1
91.05500	42.8
93.07044	66.9
95.04976	59.8
95.08617	100.0
105.07043	90.6
107.08594	59.7
117.07022	29.9
119.08588	43.5
121.06548	26.0
121.10144	17.4
123.08045	34.6
124.15306	12.6
130.07785	16.2
131.08571	22.7
133.10187	13.8
135.08075	14.0
135.11668	23.6
145.10115	80.2
147.08092	18.1
151.07568	50.5
163.11180	58.4
165.09096	15.9
189.12724	20.9
221.15399	30.2
265.08749	12.8
279.67633	12.8
325.21466	17.8
343.22659	83.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2267
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
52.84701	3.0
53.03938	8.9
55.01867	7.3
55.05500	18.0
55.09538	3.5
57.03429	14.8
57.07065	11.2
59.04992	4.5
62.25111	3.5
63.73348	3.2
67.05503	26.1
69.03427	9.3
69.07068	7.4
69.30410	24.8
69.30827	9.8
71.05001	30.6
71.12425	3.0
79.05492	25.3
81.03433	4.0
81.07056	38.6
83.04981	6.8
85.06550	5.3
91.05456	44.4
93.07039	76.6
95.04961	67.2
95.08608	99.9
97.06535	17.7
105.07034	99.3
107.04946	6.1
107.08591	67.3
109.06516	24.4
113.27475	3.3
115.05444	7.0
117.07028	40.8
118.08498	4.2
119.08573	37.7
121.06505	16.5
121.10133	17.0
123.08069	25.5
128.06284	4.3
129.07018	6.0
130.07784	20.7
131.08569	9.5
133.06528	6.3
133.10132	19.3
135.08057	29.5
135.11662	20.9
137.09621	6.6
143.08630	11.1
145.10126	100.0
147.08075	18.4
147.11705	4.5
149.09619	9.9
151.07533	57.2
157.10123	15.2
159.08034	5.0
159.11716	8.2
161.09583	10.1
163.11189	65.5
165.09102	28.7
169.10075	4.1
171.11659	4.8
173.09628	5.5
177.09143	10.0
179.07043	9.2
181.10121	3.9
183.11665	5.5
189.12717	11.4
203.14314	15.1
207.13734	5.5
212.11459	3.8
215.14243	6.0
221.15392	37.4
227.14331	4.2
252.05756	3.5
263.16318	6.9
286.19308	6.6
287.19882	3.8
325.21619	9.1
336.64337	3.2
343.22693	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.0
59.85015	0.5
65.66519	0.5
67.05496	1.7
69.03421	1.3
69.07050	2.0
69.32346	5.8
71.04963	0.7
79.05468	1.5
79.56219	0.5
81.02888	0.5
81.03396	1.1
81.07053	3.5
83.04980	0.6
85.02903	1.0
85.06517	1.0
86.82869	0.6
91.05490	1.5
93.07043	1.8
95.04971	1.9
95.08586	1.9
97.02885	1.3
97.06506	0.7
98.97582	1.9
100.11251	1.4
105.07021	1.6
107.08600	1.5
109.10170	0.9
109.48078	0.6
115.05383	0.6
117.07009	0.6
119.04907	1.1
121.06497	1.3
121.10123	1.3
123.04420	1.8
125.05964	0.6
133.02859	1.5
133.06506	0.6
133.10121	0.8
135.11667	1.0
137.05956	2.1
139.03903	1.4
145.10077	1.3
147.04398	1.4
147.11624	0.8
149.06000	0.7
153.05493	1.0
163.03877	0.7
163.11215	1.4
165.05455	0.8
167.06812	0.7
181.87668	0.6
189.07767	0.8
191.03377	2.4
201.05386	0.8
209.11653	0.6
232.49127	0.5
265.66525	0.6
307.09470	0.8
317.12845	0.7
325.10599	1.1
343.17258	100.0
344.17673	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11038	0.4
53.03928	0.8
54.32206	0.4
55.05514	13.2
63.69169	0.6
65.29078	0.5
67.05505	5.4
68.95329	0.5
69.03417	0.9
69.07065	1.8
71.04988	2.1
79.05484	4.2
81.07058	15.7
83.04957	0.5
83.08620	9.4
83.88043	0.5
85.02877	0.5
85.06542	4.3
91.05485	2.6
93.07043	3.1
95.04961	6.4
95.08634	0.9
97.06548	3.2
98.09698	0.9
99.04470	1.3
100.11253	100.0
103.05456	1.3
105.07006	3.3
107.04980	0.8
107.08583	2.3
109.06513	9.4
109.10114	0.9
110.06039	0.5
111.04408	0.8
111.08114	1.3
113.06018	1.1
117.07034	1.2
117.13866	1.4
119.04930	1.2
119.08571	1.6
121.06504	1.5
121.10146	1.3
123.04429	2.1
125.05977	1.6
127.07545	4.8
131.04955	0.9
131.08563	1.6
133.06543	1.2
135.04434	0.6
135.11710	1.7
137.05978	7.2
139.08698	1.2
141.05530	1.2
141.06871	0.8
143.08549	0.8
145.06508	0.6
145.10117	6.0
147.04387	0.9
149.09602	0.7
153.05524	1.5
155.07071	1.7
159.11716	1.7
162.06624	0.5
163.07524	1.1
163.11165	3.2
169.10152	0.8
173.09575	2.5
175.07547	0.8
181.12163	0.7
187.11198	4.6
189.12767	0.7
191.10713	2.9
205.12241	4.0
209.11760	3.3
209.14622	1.0
209.16489	12.3
209.18446	0.8
215.10722	3.8
227.17566	5.3
233.11725	3.2
251.12805	5.0
303.04800	1.1
307.15378	0.8
325.29626	1.1
326.28058	0.9
336.63187	0.5
343.06732	0.6
343.12112	1.5
343.17303	2.8
343.30664	84.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.0
59.85015	0.5
65.66519	0.5
67.05496	1.7
69.03421	1.3
69.07050	2.0
69.32346	5.8
71.04963	0.7
79.05468	1.5
79.56219	0.5
81.02888	0.5
81.03396	1.1
81.07053	3.5
83.04980	0.6
85.02903	1.0
85.06517	1.0
86.82869	0.6
91.05490	1.5
93.07043	1.8
95.04971	1.9
95.08586	1.9
97.02885	1.3
97.06506	0.7
98.97582	1.9
100.11251	1.4
105.07021	1.6
107.08600	1.5
109.10170	0.9
109.48078	0.6
115.05383	0.6
117.07009	0.6
119.04907	1.1
121.06497	1.3
121.10123	1.3
123.04420	1.8
125.05964	0.6
133.02859	1.5
133.06506	0.6
133.10121	0.8
135.11667	1.0
137.05956	2.1
139.03903	1.4
145.10077	1.3
147.04398	1.4
147.11624	0.8
149.06000	0.7
153.05493	1.0
163.03877	0.7
163.11215	1.4
165.05455	0.8
167.06812	0.7
181.87668	0.6
189.07767	0.8
191.03377	2.4
201.05386	0.8
209.11653	0.6
232.49127	0.5
265.66525	0.6
307.09470	0.8
317.12845	0.7
325.10599	1.1
343.17258	100.0
344.17673	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42505	0.5
55.05495	1.2
65.03935	0.6
67.05493	1.7
69.03410	1.2
69.07050	2.0
69.41057	4.4
71.04968	0.8
74.23682	0.5
79.05473	1.8
81.07059	3.6
83.04965	0.7
83.08605	0.6
85.02910	1.8
85.06528	1.6
91.05468	1.3
93.07056	2.6
95.04951	1.8
95.08604	2.7
97.02888	0.9
97.06548	0.6
98.97581	1.1
100.11270	0.8
105.07038	2.2
107.04946	1.0
107.08582	2.1
109.06510	0.9
109.10158	1.7
109.52588	0.5
116.98602	0.6
119.04994	0.7
119.08582	1.3
121.06505	1.1
121.10153	1.7
123.04481	1.0
123.11682	1.1
131.04935	1.1
131.08621	0.7
133.02858	2.5
133.10172	1.0
135.04434	0.6
135.08084	0.6
135.11707	0.7
137.05975	2.6
139.03944	1.5
145.06491	0.6
145.10136	1.3
149.06001	0.7
151.03900	0.9
153.05472	1.3
154.95790	0.5
158.65944	0.6
159.08022	0.8
159.11682	0.8
161.05945	0.9
163.03893	1.1
163.07578	0.6
163.11189	1.4
165.05476	1.1
181.04950	0.9
191.03381	1.7
191.07031	0.6
201.05479	0.8
205.06549	0.6
251.06967	0.9
253.08423	0.6
265.08554	1.0
271.06030	0.6
293.07919	0.8
295.58121	0.6
325.07227	0.6
325.10657	1.5
343.08231	2.7
343.17279	100.0
344.17740	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	6.4
55.05508	5.2
57.03432	10.9
57.07069	22.5
58.91433	2.9
59.45836	2.7
61.02924	10.3
63.39178	2.9
67.05508	17.2
68.99789	7.0
69.03430	5.2
69.07060	8.1
70.50749	9.5
79.05499	11.6
81.07061	21.7
83.04977	7.4
83.80486	2.8
85.02930	7.5
85.06548	31.6
91.03959	4.9
91.05485	8.7
93.07038	10.3
95.04984	8.7
95.08620	8.5
97.02872	15.3
98.20777	3.3
105.07020	8.7
107.08628	9.1
109.06524	6.7
109.10181	4.3
119.08580	9.3
121.06525	6.3
121.10113	3.6
123.04411	8.7
123.11665	4.2
127.03860	3.6
131.04918	4.8
131.08554	6.1
133.02856	8.4
135.04416	9.3
135.08044	10.4
137.05981	8.5
139.84848	3.0
143.08606	3.0
145.06494	6.5
145.10075	3.1
147.04411	29.1
147.08055	5.8
149.05954	7.9
151.03897	13.1
154.07700	3.2
159.08054	7.9
161.06021	8.7
163.03931	9.8
163.07568	14.9
163.11220	5.1
165.01787	3.3
165.05429	6.2
165.09206	3.5
169.05020	3.8
171.08066	4.0
173.05984	8.0
175.07460	5.0
177.05487	16.2
177.09085	13.8
187.07578	9.2
188.04561	4.5
189.05519	7.5
189.09117	23.1
191.03403	10.2
191.06998	6.0
192.07820	8.2
193.04907	4.7
193.08563	5.8
199.07555	5.0
201.05595	4.9
201.09062	5.0
203.07082	5.2
203.10712	3.0
205.04897	14.8
205.08597	100.0
206.08679	3.8
211.07719	4.4
211.09700	9.4
214.06316	7.8
214.56021	2.8
215.06952	5.0
215.10722	5.7
217.08618	35.8
223.09648	68.5
225.09096	4.4
228.07982	3.9
229.08611	8.0
231.06554	7.2
231.10258	4.4
233.11778	3.7
235.09650	93.7
243.10139	33.3
247.09676	7.5
249.07635	6.1
251.09167	3.3
253.10722	28.9
259.09625	16.2
261.11215	23.6
271.09616	25.5
272.09988	3.2
277.10757	30.9
289.10718	58.0
290.11417	3.7
293.08023	3.7
295.11871	5.8
298.47913	3.2
307.11804	55.3
308.12073	3.6
325.12778	11.8
343.11914	4.5
343.17310	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	342.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	10.3
57.06833	2.4
57.07068	16.1
57.21436	2.4
61.02921	4.0
69.03432	6.2
70.06595	15.3
70.76272	6.0
77.14467	2.5
81.07043	2.9
83.08641	4.2
85.02903	14.7
86.09717	2.7
89.06028	42.2
91.03927	3.1
96.83273	2.3
97.02886	6.5
101.09671	17.9
107.07071	40.1
145.04951	3.0
163.13284	100.0
324.15164	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
61.84308	60.6
63.78024	50.3
65.94366	68.8
67.05501	100.0
69.07053	68.1
71.59028	69.8
71.59402	66.7
81.07059	64.3
133.96898	52.3
150.77960	55.0
179.05447	54.1
189.60455	56.0
217.37100	59.1
275.39526	65.6
337.22192	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1175
Annotation	ISOTECTORIGENIN TRIMETHYL ETHER
Peak:m/z	Relative Intensity
63.80343	1.0
67.21172	1.0
71.57888	1.3
71.58295	1.6
72.79935	1.2
75.37865	1.0
104.82951	1.2
121.06521	2.5
129.79736	1.0
137.05991	1.3
145.10034	1.2
150.55814	1.2
151.03882	2.9
163.03934	1.7
178.06247	2.9
214.06235	6.1
219.43077	1.2
225.05467	2.2
239.07030	2.0
242.05699	4.9
253.04964	14.5
254.05621	1.4
257.08148	4.6
267.06537	3.3
268.86023	1.1
270.05209	2.6
279.06537	1.8
281.04349	1.4
285.07642	16.8
295.06021	4.0
297.07529	2.4
298.04773	8.1
299.23328	1.3
304.25266	1.2
309.07474	1.4
311.09174	1.8
313.07059	63.5
314.07281	2.4
327.08716	1.5
328.09402	17.1
343.11761	100.0
344.12158	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05016	1.0
70.06589	56.2
74.35049	0.9
86.06077	4.4
86.09701	100.0
88.03976	1.5
90.86796	1.0
91.05426	2.0
96.45328	0.9
100.11231	1.5
110.07193	1.3
114.05503	2.8
116.07088	74.7
133.06494	1.1
137.02287	1.5
137.05927	1.5
153.01799	1.7
168.28246	0.9
175.34590	1.0
183.11285	1.4
183.14960	3.4
211.14453	2.2
227.13879	2.4
229.15463	10.2
302.04178	1.5
303.01215	2.1
342.06088	2.7
342.10379	1.2
343.13586	4.1
343.17340	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31727	7.2
55.38689	7.1
57.03430	9.4
61.30814	7.9
69.03425	13.8
69.91983	47.9
70.06573	16.8
85.02925	8.6
85.06561	15.7
86.09687	9.6
98.97540	7.8
103.07570	100.0
127.04053	7.1
131.07074	9.4
147.04422	9.4
163.09668	36.9
163.11003	6.8
179.03401	30.6
180.03714	43.7
190.06760	16.4
207.07675	13.0
208.08000	13.7
293.31006	7.4
315.14386	9.9
343.13812	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	14.8
57.03436	23.6
57.07075	83.0
65.03954	1.7
66.43208	0.9
67.05503	20.7
69.07064	18.1
69.07417	1.7
70.07410	0.9
71.05004	4.4
71.08234	2.4
71.08629	48.1
72.08979	1.0
75.04459	0.9
79.05489	5.9
81.07056	29.8
81.07519	1.6
83.08617	13.9
85.06553	2.5
85.10181	28.1
89.06036	3.9
91.05491	3.6
93.07048	12.6
95.04984	1.3
95.08605	38.6
96.08952	1.0
97.06554	2.0
97.10161	14.1
99.11710	2.2
103.07596	2.7
105.07023	9.9
107.08598	11.1
109.06535	3.2
109.10156	22.6
111.08108	2.8
111.11711	4.7
113.09692	1.0
117.07056	1.5
119.08585	15.3
121.10124	10.1
123.11696	9.0
125.13261	1.3
131.08563	4.5
133.10106	5.7
135.11699	5.3
137.09592	1.4
137.13287	2.7
143.08614	1.9
145.10120	4.9
147.11713	4.0
149.13243	6.7
151.11253	1.2
151.14893	1.5
156.09396	1.2
157.10159	2.8
159.11671	8.6
161.13324	4.2
163.11191	0.9
163.14774	6.0
171.11720	2.1
173.13290	5.7
175.11394	1.1
175.14885	2.7
177.12894	1.3
185.13257	1.4
187.14803	5.8
187.34013	0.9
189.16467	2.5
191.18018	3.5
197.13200	1.4
199.14928	1.8
201.16444	2.3
203.17989	1.7
213.16504	2.9
215.18077	2.9
227.18022	2.7
229.19646	1.9
241.19572	1.0
257.22696	1.3
267.21024	1.8
267.27011	2.1
281.22958	1.3
283.24164	10.2
285.27859	6.9
323.27277	8.7
326.30792	1.4
341.30673	100.0
342.30826	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	341.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.7
55.05512	13.6
56.96593	2.2
57.03444	2.4
57.07066	2.9
59.04976	2.2
65.03935	8.6
65.52545	2.1
67.05501	16.8
69.03416	5.6
69.07070	30.0
70.86961	2.8
70.87273	3.7
71.04985	4.8
79.05498	20.0
79.84605	1.9
81.03420	3.8
81.07055	46.7
83.04976	7.3
83.08599	5.1
85.06541	5.0
91.05474	100.0
92.05827	2.3
93.03436	3.5
93.07043	35.4
95.04975	17.2
95.08605	32.9
97.06524	7.3
97.10168	2.1
99.04459	3.0
100.11243	4.6
103.05462	20.1
105.07019	24.7
107.04944	14.8
107.08607	17.7
109.06543	7.4
109.10168	18.7
111.08076	5.2
111.11734	3.1
113.05993	6.1
115.05431	5.0
117.07033	4.1
119.04939	5.0
119.08599	16.2
121.06485	3.4
121.10143	18.6
122.03674	3.9
123.04430	3.7
123.08055	4.3
123.11713	23.9
125.05978	2.5
125.09634	3.5
127.11205	2.0
128.06223	3.0
128.60605	2.2
129.07007	13.8
131.04932	36.0
131.08582	8.9
133.06496	5.2
133.10161	9.7
135.08163	2.5
135.11674	7.2
137.05980	33.9
137.09569	3.6
137.13286	4.8
139.11189	5.5
141.07033	2.9
143.08498	2.6
145.06487	3.7
145.10132	8.0
147.04405	7.6
147.11685	5.7
149.05963	4.5
149.09576	4.9
149.13231	6.7
151.03917	2.1
151.07521	4.1
151.11221	2.8
157.06503	2.0
157.10216	1.9
159.08055	6.9
159.11722	4.0
161.06039	10.3
161.13261	3.9
163.03864	5.1
163.07529	14.3
163.11211	2.6
165.05536	3.3
165.07034	3.0
165.12766	2.1
167.07034	12.2
171.08081	2.7
172.05228	3.3
173.13304	4.2
175.07587	9.1
175.14873	3.1
177.05447	3.9
177.16394	3.5
178.06328	1.9
178.07793	3.9
179.03334	2.4
179.07008	2.3
179.08459	2.9
181.06509	2.6
185.13306	2.4
187.07513	13.8
189.09096	2.9
189.16475	2.4
193.10176	2.5
201.16411	2.1
202.07753	4.6
203.08540	7.1
206.07274	4.5
217.08644	3.0
218.07237	2.5
219.08044	7.0
220.08704	3.5
221.09608	6.0
223.07536	2.6
231.08157	6.8
232.08485	2.2
233.04457	6.8
234.06879	4.1
234.47488	2.0
235.07556	6.5
238.05432	3.8
246.92770	2.3
248.08174	5.7
249.09088	8.5
250.09641	2.2
251.07040	5.9
251.10619	2.3
257.08191	2.9
263.05579	4.4
263.10675	3.9
265.08557	4.2
266.09213	3.3
267.06567	2.7
277.08539	5.1
281.08783	1.9
281.11652	11.6
291.10138	11.4
293.08139	8.8
294.08719	4.3
298.14420	3.0
305.11682	2.4
305.24673	3.7
309.11148	16.4
310.11600	2.2
311.09055	3.8
313.16708	2.4
323.09134	11.5
323.12793	8.7
323.25601	2.2
324.09564	2.8
326.11334	2.3
341.10162	21.2
341.13882	22.2
342.10657	2.9
342.20593	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	341.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	5.1
55.05518	21.2
57.07072	7.7
59.04993	4.8
67.05235	3.1
67.05512	40.3
69.03434	5.4
69.07066	48.6
71.05000	19.5
71.05313	3.6
71.26407	8.1
79.05496	35.0
81.07062	100.0
83.08621	10.5
85.06498	4.0
91.05448	25.0
93.07040	63.7
95.04969	16.9
95.08613	71.8
97.06523	11.2
97.10163	3.6
99.08082	6.2
99.86109	3.1
103.05476	7.6
105.06374	5.1
105.07033	47.2
107.04955	9.1
107.08590	41.5
109.06499	7.2
109.10155	44.8
111.08068	9.4
111.11713	4.3
115.05444	3.9
115.97982	3.7
117.07067	5.0
119.08582	26.8
121.06470	4.0
121.10141	46.1
123.04465	4.4
123.08054	5.4
123.11711	70.9
125.09657	4.2
125.94573	3.5
127.11183	7.0
128.06145	4.2
129.07033	18.9
131.04938	10.3
131.08553	11.9
133.06461	6.9
133.10147	19.4
135.11676	18.8
137.05980	26.0
139.11180	15.2
141.12741	9.4
143.08569	4.1
144.05652	4.0
145.10115	15.3
147.08089	5.0
147.11702	21.4
149.05972	3.8
149.13271	11.3
157.10175	3.9
159.08080	11.3
159.11639	11.9
161.05981	15.2
161.13191	7.7
163.07385	4.1
163.11072	4.0
165.12770	3.9
167.07011	18.8
167.10670	8.7
173.13220	6.2
175.07527	5.5
175.14810	5.0
187.07494	30.4
187.14780	5.1
189.09076	4.1
189.16385	8.8
191.06886	4.7
191.08571	4.5
199.14812	6.5
201.16385	15.1
202.07719	6.4
203.08543	8.4
213.16447	4.6
217.08549	4.1
219.07994	9.0
221.05954	4.3
221.09625	11.3
223.07634	5.3
231.08095	5.0
234.06720	9.6
248.08124	6.9
249.09061	12.1
249.18686	3.6
251.07100	5.1
277.08575	11.0
279.06622	4.0
279.10001	3.9
281.11707	24.9
282.12311	3.9
282.36670	3.7
287.23709	8.9
291.10089	8.3
294.08734	6.1
300.94559	3.7
305.24582	6.6
309.11322	21.0
310.11661	5.5
311.09155	6.1
315.31076	3.6
323.25790	8.9
341.13708	31.0
342.14163	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	341.1383
Annotation	Obovaten
Peak:m/z	Relative Intensity
55.01863	2.5
55.05506	4.2
58.45671	1.3
67.05494	6.0
69.03439	2.2
69.07066	7.1
70.27973	1.5
71.04983	4.1
71.58981	1.5
79.05495	6.5
81.07053	19.1
83.04996	2.1
83.08619	2.2
85.06541	3.3
87.51602	1.3
91.05476	6.5
93.07045	8.0
94.04192	3.3
95.04974	3.5
95.08604	10.5
97.02959	1.5
97.06522	1.4
99.08076	2.3
103.05465	4.2
105.07056	6.7
105.61848	1.4
105.68021	1.5
107.04949	6.5
107.08599	6.4
109.06506	5.5
109.10168	12.7
111.04449	1.4
111.08096	4.5
115.05489	4.2
117.07056	2.8
119.04948	1.5
119.08601	6.2
121.06484	1.8
121.10140	3.9
122.03665	11.1
123.08099	2.2
123.11711	5.0
125.09680	1.6
127.11227	1.6
128.06236	2.3
129.07014	7.4
131.04921	4.5
132.05759	2.1
133.02873	3.5
133.06537	3.1
133.10152	1.7
135.11699	3.5
137.05980	100.0
137.13292	1.7
139.11133	3.8
144.05753	1.8
145.06497	2.9
145.10110	1.6
147.04428	3.4
147.08044	5.5
147.11696	2.5
149.05984	4.4
149.13223	3.0
151.03868	2.0
151.07547	3.1
157.06470	2.1
158.02657	1.3
159.08055	2.7
159.11609	1.6
160.05212	4.7
161.05994	5.9
161.09726	1.7
161.13322	2.7
163.03873	2.3
163.07579	2.9
163.11217	1.9
165.05479	3.2
165.12753	2.5
167.07007	2.4
171.13788	1.5
174.06796	3.2
175.07552	38.7
177.05484	3.5
179.07016	3.4
179.08546	1.4
187.07524	18.1
189.09123	6.2
190.07741	2.5
191.08571	5.5
197.05930	2.2
199.07558	5.4
202.07828	4.8
203.08513	11.6
206.07175	2.0
207.08081	1.9
211.07552	11.5
217.08604	7.7
218.07286	1.9
219.08089	11.8
220.08873	5.5
221.09692	1.9
227.07002	5.6
231.08064	9.8
232.08803	4.3
233.05997	1.9
235.07642	2.4
236.08403	2.1
239.06987	9.7
240.07858	6.1
241.08374	1.6
247.07545	5.0
248.08383	15.0
249.09134	4.1
251.10728	9.2
253.08426	1.6
255.06499	5.4
256.07300	5.3
259.07550	6.8
260.08328	1.7
263.10715	12.9
264.07816	1.5
265.08554	4.0
268.07251	2.3
270.08795	9.2
271.09616	22.7
276.07883	4.4
277.08569	5.7
279.10162	8.2
280.10638	2.2
281.11697	3.3
283.09564	6.8
291.10187	29.8
292.10739	3.3
293.08212	5.4
294.08963	1.6
296.10379	3.1
305.24863	2.0
308.10400	3.8
309.11258	2.9
311.12823	8.6
313.14597	1.9
323.12720	15.1
323.25900	1.9
341.13760	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	341.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
70.98334	4.7
70.98707	3.3
91.05463	4.8
94.04207	3.2
97.02916	2.1
105.07028	7.2
107.96535	2.3
109.06509	3.7
115.05503	3.7
117.07052	2.6
119.08633	3.5
122.03671	10.7
128.06166	2.6
129.06949	4.5
132.05704	6.3
133.06477	3.7
137.05981	100.0
147.04390	3.6
147.08093	4.2
161.05998	11.4
175.07553	37.2
187.07588	6.7
190.07664	2.7
191.08578	6.2
199.07542	11.0
202.07831	3.9
203.08603	6.1
217.08511	4.4
219.08078	10.1
220.08774	3.3
231.08066	6.1
238.34869	2.1
248.08382	3.0
249.09175	3.4
251.10669	7.1
261.09036	2.6
263.10629	3.1
276.07953	2.3
279.10162	8.3
291.10193	5.3
309.11108	3.9
311.12625	3.7
341.13593	6.5
348.93060	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1383
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.05500	7.7
70.64627	4.2
70.65019	2.5
71.04987	4.2
79.05476	2.2
81.07031	3.3
82.06557	2.2
83.08609	4.5
91.05455	5.3
94.04178	2.0
100.11260	17.8
101.11570	2.8
103.05441	3.0
105.07008	2.0
107.04967	1.8
109.06505	3.1
115.05423	3.2
119.04976	2.4
122.03671	9.5
128.06212	3.4
129.07019	8.7
131.04913	3.9
133.02837	7.1
137.05978	100.0
143.04895	2.4
144.05705	4.3
145.06473	3.1
149.06006	4.1
151.03905	2.9
151.07526	5.5
155.04970	1.8
157.06511	4.6
160.05190	3.8
161.05960	5.1
163.07614	3.2
165.05467	6.7
166.08597	2.5
167.07007	3.5
168.05714	2.0
172.05194	4.8
174.06740	6.8
175.07544	29.0
177.05463	5.9
177.09111	3.3
179.07037	3.7
179.08435	2.0
182.15388	3.4
183.15631	1.7
187.07530	28.0
189.09134	8.4
190.07793	1.6
191.08534	5.4
196.05196	5.4
199.07524	5.5
202.07854	6.3
203.08609	14.5
205.06555	2.4
205.08484	2.8
210.14955	3.0
211.07535	19.8
213.05443	2.7
213.67767	1.7
217.08562	10.2
218.07126	1.8
219.07964	9.8
220.08679	7.9
221.09625	2.3
225.05492	1.7
227.07022	6.3
227.17499	1.9
228.17767	2.7
231.08109	12.5
234.06825	2.5
236.08356	2.5
237.09059	2.7
239.06987	11.9
240.07803	11.4
247.07489	5.8
248.08278	22.0
249.09082	5.8
251.10609	3.9
255.06487	5.4
256.07291	7.3
259.07492	4.5
260.08325	2.0
263.10721	14.5
264.07803	4.2
265.08597	4.4
268.07245	5.0
270.08957	9.1
271.09674	35.6
276.07880	8.8
277.08609	5.3
279.10153	7.7
280.10898	2.7
281.11743	3.4
283.09534	8.9
291.10156	42.6
292.10684	5.0
293.08115	6.1
296.10596	3.3
297.11157	3.4
305.11749	2.0
308.10333	5.5
309.11182	4.2
311.12726	7.0
323.12851	20.3
324.13004	1.8
341.13852	17.3
341.75864	2.0
343.30466	3.7
344.30640	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1383
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
51.59011	1.4
55.05514	1.7
56.96558	1.8
58.09109	1.3
59.05011	8.7
66.61847	1.5
66.68986	1.6
69.03432	2.1
69.51573	13.3
71.04995	1.7
72.08137	2.6
72.88602	1.3
79.05482	2.7
81.03369	1.8
81.07066	4.1
84.08153	2.1
86.09702	4.4
89.06035	2.1
91.05382	2.9
91.05815	4.9
94.04183	4.9
95.04979	3.8
95.08588	2.2
98.20815	3.2
103.05447	4.9
103.07579	5.6
105.07041	3.4
105.75642	1.6
107.04948	9.9
109.06505	2.9
111.04447	3.5
115.05436	2.0
119.04932	3.2
122.03620	9.1
123.04482	1.8
128.06235	3.7
129.07001	11.2
131.04936	5.3
133.02866	3.7
133.06483	4.3
133.08667	1.6
137.02357	4.4
137.05969	100.0
138.06372	1.7
141.21469	1.6
144.05670	4.7
146.03635	2.2
146.07260	1.8
147.04440	2.1
149.05972	3.1
151.07535	3.7
153.05415	1.7
157.06483	6.3
160.05173	2.5
161.05978	6.5
162.06621	1.5
163.07535	3.1
165.05463	3.4
165.06908	2.2
167.07019	1.8
172.05208	5.6
174.06781	9.3
175.07550	11.7
177.05524	2.2
179.03400	2.1
179.07072	2.6
181.06496	2.1
184.05264	1.4
187.07539	39.0
188.08177	1.7
189.09105	13.6
190.07765	3.6
191.08542	8.4
194.07262	4.2
199.07552	3.7
202.07822	5.0
203.08545	14.3
205.06520	4.5
207.07968	4.5
208.08833	2.4
211.07576	6.0
212.04689	1.8
217.08553	19.5
218.07306	5.0
219.08028	16.3
220.08818	7.1
221.05806	2.2
222.06635	2.0
227.07045	5.8
231.08023	18.5
232.08846	5.0
233.05917	2.9
233.09608	2.7
235.07390	4.1
236.08336	5.3
237.02885	2.0
237.09109	3.5
239.07083	6.2
240.07903	4.1
247.07567	14.9
248.08310	19.5
249.09018	4.7
251.10767	6.7
253.08669	4.3
255.06534	6.2
256.07126	1.8
259.07538	6.1
260.08258	2.0
261.09061	3.8
263.07233	1.6
263.07913	2.0
263.10660	18.3
264.07840	5.7
265.06171	2.3
265.08560	10.8
266.09262	1.6
270.08878	8.9
271.09692	9.6
273.09207	2.3
276.07742	9.6
277.08578	5.4
278.05740	2.6
279.10172	22.2
280.10849	2.7
281.08084	6.0
283.09579	3.8
286.52460	1.9
291.10144	37.0
292.10876	4.4
293.08093	4.5
295.09778	3.9
296.10394	10.4
297.11301	9.7
300.08688	5.0
308.10501	4.1
309.11185	5.2
310.12112	2.9
311.12796	17.9
323.12772	32.5
324.13034	1.7
325.08105	6.0
341.09973	3.0
341.13727	20.1
342.10773	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	341.1384
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
54.12204	1.7
55.05505	4.5
67.05505	4.9
67.44180	1.8
69.03436	1.9
69.07040	3.4
69.62836	12.4
71.04991	5.1
79.05498	9.2
81.03409	2.6
81.07057	15.7
83.04968	1.9
85.06541	2.3
91.05411	9.4
92.87154	1.8
93.03415	2.1
93.07043	6.9
94.04179	3.8
95.04955	6.3
95.08592	5.0
97.02889	2.1
97.06542	2.7
97.42279	1.9
102.03749	1.9
103.05472	3.8
105.07016	10.7
107.04954	9.7
107.08575	5.6
109.06509	7.7
109.10175	4.4
111.04427	3.6
115.05464	4.9
117.06950	3.0
117.12952	1.8
119.04980	3.3
119.08568	7.2
121.06456	2.3
121.10162	4.1
122.03620	9.2
123.04416	3.9
123.11691	3.3
127.82687	1.9
128.06200	5.0
129.07005	13.0
131.04951	6.7
131.08542	3.9
133.02855	6.9
133.06523	3.8
133.10104	3.5
137.05981	100.0
137.09544	2.1
144.05687	6.0
145.06473	4.0
145.10155	2.4
147.04436	3.9
147.08008	3.2
147.11682	3.2
149.05948	5.4
149.07446	11.3
149.09741	2.4
151.03929	3.7
151.07510	7.4
153.05492	2.0
155.04895	2.2
157.06485	7.0
157.10155	4.3
158.07295	2.6
159.08057	4.3
160.05180	8.7
161.05980	8.7
163.03835	2.2
163.07585	4.0
165.05502	3.3
165.07024	4.5
167.07022	10.8
172.05240	5.3
174.06764	6.9
175.07547	30.6
177.05482	6.2
177.09081	4.3
178.07774	3.0
179.06995	5.0
179.08435	2.1
181.04950	2.4
187.07539	35.5
189.05533	2.5
189.07362	2.0
189.09106	11.7
191.08542	4.1
193.08574	12.2
193.10066	2.3
196.05197	4.5
197.05934	4.5
199.07553	3.3
202.07829	6.4
203.08539	15.7
205.06575	4.2
206.07251	3.6
207.08087	2.5
211.07567	19.6
213.05522	3.9
217.08582	10.7
218.07372	3.1
219.08052	8.1
220.08832	5.4
221.05920	2.3
221.09622	4.1
223.07547	2.2
225.05597	2.2
227.07079	15.1
228.07892	3.7
231.08017	13.2
232.08788	5.5
233.06035	4.5
234.06769	5.5
235.07518	5.1
236.08179	3.2
239.07039	13.1
240.07741	14.6
241.08591	2.8
247.07545	7.9
248.08296	22.7
249.09015	7.6
251.06985	3.3
251.10666	3.8
253.08662	2.4
255.06494	7.8
256.07339	8.7
259.07611	5.8
260.08273	3.3
261.08817	2.3
263.10684	17.3
264.07901	4.9
265.08533	6.6
268.07339	3.7
270.08859	17.4
271.09631	37.7
276.07843	12.2
277.08438	9.8
277.57922	2.8
279.07419	1.9
279.10117	12.0
281.08292	4.5
281.11774	8.5
283.09482	8.9
291.10165	53.2
292.10675	3.5
293.08072	5.4
295.09821	3.7
296.10391	5.2
297.07889	2.5
297.11221	5.4
308.10373	6.7
309.11084	11.5
311.09262	3.1
311.12811	10.5
313.14301	3.0
323.09241	2.6
323.12775	31.8
341.10016	4.9
341.13794	33.7
341.20932	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	341.1384
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.01869	1.4
59.99175	0.8
64.97492	0.7
65.03942	1.4
70.51321	1.9
70.51719	1.7
71.04984	5.3
74.65768	0.8
78.04708	0.9
79.05479	2.1
81.07034	1.7
84.28788	0.8
91.05434	6.2
94.04180	3.5
95.04980	1.4
100.11249	1.4
103.05492	1.4
105.07050	1.4
107.04955	3.2
109.06516	2.1
111.04424	2.3
115.05459	1.8
117.07051	0.9
119.04945	1.9
122.03641	8.8
123.04419	1.2
125.05972	1.0
128.06219	2.7
129.07005	9.0
131.04938	4.2
131.08556	1.1
132.05721	1.0
133.02840	8.6
133.06522	1.0
137.05971	100.0
138.06313	1.4
143.04916	2.4
144.05684	3.4
145.06517	2.9
146.07283	0.9
147.04413	1.9
149.05905	4.2
151.03944	3.1
151.07503	4.8
153.05489	2.6
153.06879	1.4
157.06503	5.7
159.04497	0.8
160.05157	4.5
161.06003	2.9
161.09624	1.5
162.01410	1.0
163.07556	3.0
164.04591	1.0
165.05479	5.3
165.06848	1.5
167.06998	1.1
168.05684	2.4
170.75708	0.9
171.08173	1.0
172.05251	4.6
174.06757	7.8
175.07556	19.3
176.08205	1.4
177.05472	7.6
177.09131	4.1
179.07033	3.8
181.06467	1.2
185.05992	1.1
187.05858	1.6
187.07542	29.4
187.09167	1.7
188.08183	1.5
189.09082	12.4
190.07813	1.8
191.06967	2.0
191.08557	2.8
196.05197	7.2
197.05878	4.5
199.07545	4.2
200.08357	0.8
202.07756	5.0
203.06886	1.5
203.08575	13.8
205.06517	2.8
205.08475	1.8
206.07169	1.4
207.08102	1.0
211.07536	23.4
212.04723	2.7
213.05418	5.2
217.08612	12.3
218.07204	1.5
219.08049	8.7
220.08781	7.2
221.05951	1.4
221.09518	2.4
225.05531	2.0
225.08971	1.5
227.07013	13.5
228.07826	2.8
231.08043	14.7
232.08830	3.5
233.05984	3.9
233.09557	1.1
234.06648	2.0
235.07541	1.9
236.08325	2.8
237.09033	2.7
239.07024	16.4
240.07777	15.3
241.04906	2.2
241.08649	1.1
247.07555	7.6
248.08321	27.1
249.09140	4.9
250.06203	1.7
250.09959	0.9
251.07063	1.5
251.10500	4.5
253.08673	2.6
253.12332	1.0
254.09334	1.6
255.06516	9.7
256.07281	11.4
259.07538	6.7
260.08292	3.5
261.05579	1.0
261.09125	2.8
263.07098	2.6
263.10675	19.9
264.07803	3.1
264.10907	1.4
265.08585	6.4
268.07306	5.6
269.08047	1.5
270.08871	21.0
271.09641	47.8
272.10056	1.4
273.09146	1.4
276.07776	12.4
277.08475	6.4
279.07401	1.6
279.10156	11.1
280.07449	1.1
280.10999	2.5
281.08218	1.7
281.11664	3.3
282.08893	1.8
283.09656	12.8
285.11227	1.2
290.09302	1.7
291.10147	58.8
292.10654	5.5
293.08231	6.3
294.08615	1.2
295.09634	1.8
296.10376	5.1
297.11084	4.5
305.11731	2.4
307.09708	1.4
308.10339	7.1
309.11124	4.2
311.12775	11.8
313.14304	2.8
323.12762	34.8
324.13031	1.8
341.10013	1.5
341.13794	23.8
360.13220	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15209	4.5
53.71178	4.2
55.01856	4.9
55.05501	14.2
55.06945	4.3
56.96563	5.2
66.74252	4.6
67.05483	10.1
69.03424	5.3
69.07040	5.8
71.58293	5.6
71.58729	4.9
79.05486	12.7
81.07051	19.7
83.08612	8.0
91.05459	16.9
93.07025	11.4
94.04169	5.2
95.04984	11.6
95.08598	7.4
97.02882	10.5
97.80858	4.3
100.11258	17.8
101.11545	7.8
103.05452	11.0
105.07044	24.4
107.04945	25.1
107.08620	12.1
109.06462	7.7
109.10134	7.8
115.05437	12.9
116.06291	4.9
119.04929	13.2
119.08582	5.8
121.06484	5.3
121.10144	5.4
122.03651	12.4
125.06005	6.9
128.06221	11.8
129.07014	29.2
131.04938	10.4
131.08568	6.6
132.05644	7.4
133.06477	16.2
135.11700	4.7
137.05008	7.7
137.05971	100.0
144.05687	10.7
145.06482	12.6
147.08023	7.4
147.11716	7.1
151.07446	5.4
153.01834	9.4
155.04906	5.9
156.05702	12.4
157.06445	5.0
159.08052	26.8
161.05948	46.6
163.07503	5.7
165.07014	5.3
167.07076	45.3
167.08443	7.9
169.06473	5.8
175.07535	43.1
178.07809	16.2
181.06427	8.3
182.15385	5.2
187.07550	71.9
189.07024	9.3
189.09099	6.8
190.07735	7.3
191.08528	14.5
195.07990	11.4
199.07594	4.9
202.07735	13.2
203.08566	18.7
205.06464	11.4
206.07271	20.2
207.07935	8.7
209.09383	6.3
211.07500	5.2
217.08553	10.2
218.07278	7.8
219.08046	18.4
220.08835	6.8
221.06096	5.5
221.09625	25.4
223.07549	14.5
231.08157	15.9
233.06015	6.0
234.06725	25.0
235.07542	13.0
237.09189	9.9
247.07623	9.0
248.08322	13.9
249.09100	39.6
251.06979	21.4
251.10588	7.1
259.07605	6.5
262.06210	6.2
263.07010	9.8
263.10635	8.3
264.07602	4.9
265.08524	14.4
266.06516	4.9
266.09390	17.2
277.08597	24.9
279.06528	9.4
279.10129	5.6
281.11752	60.1
291.10138	17.7
294.08710	11.4
295.09598	7.9
300.09793	7.9
309.11169	80.1
310.11765	8.2
311.09119	12.2
311.12616	5.8
323.12741	13.3
326.11282	7.6
341.06744	5.7
341.10098	7.9
341.13751	63.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.01867	2.2
58.03935	1.2
58.56115	1.2
70.14404	6.0
79.05495	3.7
81.03391	1.3
81.07027	1.4
86.09708	1.5
89.33744	1.3
91.05441	12.9
94.04182	2.7
97.02878	1.4
98.21481	1.3
103.05456	6.5
105.03391	1.7
105.07027	15.5
107.04958	12.9
109.06503	2.4
115.05448	9.6
116.06170	1.5
117.07010	4.2
118.04146	1.8
119.04946	6.8
119.08554	7.0
121.06480	1.4
122.03628	7.5
128.06200	3.3
129.07002	6.9
130.04182	2.0
131.04895	3.9
132.05692	5.0
133.02797	1.6
133.06509	13.7
137.05972	100.0
138.06319	2.0
144.05675	2.3
145.06461	4.2
146.03618	1.9
147.04399	9.8
147.08003	8.3
149.06001	3.0
151.03987	1.6
151.07581	4.0
157.06488	3.3
159.08073	5.0
160.05214	3.9
161.05960	33.3
161.09630	1.8
162.06712	5.0
165.07007	2.1
172.05208	4.9
175.07549	54.3
177.05513	2.1
177.09059	2.5
185.06070	1.6
187.07544	19.2
189.09132	4.0
190.07848	1.9
191.08554	6.0
199.07516	2.5
202.07811	4.9
203.08585	6.8
205.06493	1.7
207.08107	1.5
211.07533	1.8
217.08614	4.7
218.07257	3.2
219.08018	9.1
220.08875	3.9
231.08054	8.9
235.07623	2.3
236.08244	3.0
237.09164	2.2
238.17746	1.2
247.07559	5.5
248.08307	4.3
250.06245	1.5
251.07074	1.5
251.10635	7.5
253.08636	1.4
259.07535	5.2
260.08340	2.0
263.10657	5.7
265.08572	1.6
271.09705	1.6
276.07745	3.1
277.08453	2.7
279.10147	9.0
281.08115	2.5
291.10190	9.5
293.08130	1.9
308.10568	1.5
309.07672	2.7
309.11096	17.9
311.12695	8.6
323.12784	11.8
341.10013	2.4
341.13702	16.4
341.18457	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1382
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
51.44672	2.3
69.07065	2.7
71.02900	2.6
71.03260	6.8
73.04742	2.3
78.16032	2.2
79.05476	6.2
81.07047	6.5
87.29700	2.6
91.05435	7.4
93.66783	2.2
94.04200	4.5
95.04966	3.0
103.05487	5.6
105.07011	7.8
107.04951	11.5
109.06455	2.6
115.05442	6.1
119.04940	5.7
119.08602	2.9
121.06488	3.1
122.03648	9.9
128.06224	5.3
129.06992	11.6
131.04929	5.9
133.06461	4.7
137.05977	100.0
143.04836	2.3
145.06453	5.3
147.04337	3.8
147.08107	3.4
151.07515	5.6
157.06511	6.2
159.08028	5.4
160.05205	2.5
161.05995	19.4
167.07063	6.0
171.04474	2.3
172.05202	5.2
174.06763	7.6
175.07558	30.9
185.06012	2.9
187.07544	36.9
189.09094	5.7
191.08563	6.2
199.07497	4.2
202.07831	2.9
203.08485	13.2
205.06483	2.7
210.06549	2.6
211.07507	3.5
217.08591	13.4
218.07233	2.7
219.08052	11.5
220.08795	5.7
221.09610	3.4
223.07652	2.7
227.06978	4.0
231.08047	13.3
233.05994	3.5
234.06691	3.1
240.07719	2.8
247.07542	8.9
248.08305	9.2
249.09084	8.6
251.10696	7.5
255.06438	3.9
259.07532	6.4
261.08890	2.8
263.10657	11.5
265.08572	5.9
270.08670	3.9
271.09653	6.3
276.07819	3.7
277.08551	7.9
279.07291	2.4
279.10129	13.8
280.75406	2.6
281.11676	9.0
287.71347	2.2
291.10150	25.4
292.10858	2.8
293.08023	5.1
295.09613	3.0
296.10413	3.5
296.62225	2.6
309.02267	3.1
309.11304	14.9
311.09485	2.8
311.12704	10.2
323.12833	20.1
341.10416	3.0
341.13852	26.1
341.17847	3.4
341.19522	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	341.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.01876	1.0
56.96563	2.0
57.03436	5.0
61.02911	3.8
61.84541	0.9
67.05524	0.9
68.13488	1.0
69.03427	12.4
70.08206	4.4
71.01333	1.2
71.04977	3.6
73.02910	2.4
73.04752	1.4
75.04471	1.5
75.54893	0.9
79.05502	1.5
81.03424	2.1
84.04494	1.5
85.02919	6.7
87.04452	1.9
91.05801	9.5
95.04951	1.4
97.02910	4.3
97.74915	0.8
98.97585	1.5
99.04448	3.3
106.06570	2.2
107.04910	1.4
109.02957	1.1
111.05505	1.4
117.05509	0.9
118.05302	1.9
123.04436	12.3
128.98642	1.0
131.05959	1.1
133.02850	8.7
133.06602	1.9
133.07600	19.3
134.06052	1.5
135.04391	2.6
137.05989	1.4
139.03928	1.2
145.07607	27.5
146.08421	1.5
146.99612	1.6
147.09125	1.6
151.03883	4.3
154.03908	1.0
157.07655	1.6
159.09187	1.3
161.07089	2.3
163.02713	1.6
163.03990	1.6
163.08664	74.8
171.09323	1.1
175.02907	0.9
175.04393	1.9
175.08632	1.2
177.06639	1.0
179.03398	93.2
180.03754	2.0
180.06238	1.5
184.05008	5.5
188.09438	1.1
189.06561	3.8
201.10194	1.1
203.08153	1.3
207.07648	100.0
208.07921	1.7
219.01724	1.8
237.02841	3.7
267.13205	0.9
279.13409	10.4
289.05957	1.0
297.14441	52.0
307.06952	1.4
323.12408	8.0
341.13434	64.3
342.13318	1.3
359.02924	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1382
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.01862	13.0
55.05507	2.9
56.96556	3.9
57.03427	1.6
57.07080	2.3
60.03557	1.8
63.44778	1.5
65.03951	2.5
67.05508	3.0
69.07075	4.3
69.97456	3.9
69.97865	6.8
71.04991	4.8
79.05503	5.1
81.03407	1.8
81.07060	4.5
83.08640	2.3
89.06118	1.8
91.05495	7.6
93.07057	2.6
94.04181	3.9
95.04980	3.2
95.08623	3.5
97.02873	2.1
103.05486	2.0
105.07019	5.6
107.04955	5.8
109.06525	3.2
109.10130	2.1
111.04434	4.8
112.29997	1.7
115.05475	4.2
117.07061	2.9
119.08538	2.3
122.03648	7.8
128.06216	2.4
129.06982	10.0
131.04904	5.6
133.02866	7.4
133.06500	9.3
137.05974	100.0
143.04866	2.8
144.05707	7.0
145.06479	4.3
146.07265	2.3
147.04485	3.1
149.05978	2.4
151.03929	3.8
151.07521	5.3
151.33107	2.1
153.05533	4.2
153.06905	2.0
155.04936	2.4
157.06461	3.6
159.08017	2.1
160.05206	5.2
161.05984	10.1
161.09541	2.7
163.07530	2.8
165.05653	3.2
165.07082	3.9
167.07074	7.2
171.04347	1.9
171.08044	2.2
172.05244	5.7
174.06743	9.5
175.07539	19.8
177.05478	5.5
177.06976	1.9
177.08981	2.0
178.07805	2.3
179.07088	2.4
181.06525	4.0
185.06044	1.8
187.07544	37.1
189.05402	9.7
189.09126	7.0
189.89659	1.8
191.08621	2.7
193.10150	2.0
195.08119	3.0
196.05186	8.0
197.06046	4.3
199.07538	5.9
201.05527	5.8
202.06155	3.2
202.07852	4.7
203.08604	14.1
205.06544	3.0
205.08501	2.0
206.07274	4.3
207.08118	1.9
208.08926	2.1
209.06038	4.6
210.06812	5.2
211.07533	23.9
212.04716	3.0
213.05450	5.5
217.08575	13.5
219.08046	10.8
220.08746	8.5
221.06030	7.4
221.09596	4.0
221.19838	1.8
222.06876	3.1
224.08440	2.6
225.05495	4.5
225.09061	3.1
227.06996	14.3
228.07817	2.2
231.08051	16.0
232.08748	3.4
233.05974	4.8
234.06845	3.6
235.07506	6.6
236.08231	2.4
237.05606	3.6
237.09181	4.7
238.06294	3.2
239.07039	16.6
240.07878	13.2
241.08635	2.8
247.07585	6.0
248.08304	23.9
249.05539	3.9
249.09114	7.7
250.06262	4.6
251.07103	3.5
251.10623	4.1
252.07762	2.8
253.08562	10.9
253.12218	4.5
254.09435	2.2
255.06497	15.7
256.07422	10.5
257.07883	1.9
259.07578	5.0
259.37842	1.9
261.09216	2.3
262.06342	1.9
263.07123	7.2
263.10678	19.6
264.07846	3.6
264.18430	1.8
265.04919	4.2
265.08627	6.4
266.09390	3.0
267.06561	4.1
267.10107	4.3
268.07242	4.9
270.08844	18.7
271.09644	44.3
276.07837	11.6
277.05280	1.8
277.08585	5.7
278.05661	2.0
279.07205	3.1
279.10074	14.2
280.07233	3.9
280.10648	2.1
281.08099	13.6
281.11734	6.7
282.08743	2.9
283.06326	3.5
283.09692	12.8
283.86646	1.8
285.11069	2.3
291.10132	56.9
292.07370	3.3
292.10693	3.3
293.08099	5.9
295.09631	8.5
296.10455	4.2
297.11169	3.7
298.08417	2.8
308.10452	7.8
309.07571	10.2
309.11148	7.1
310.08377	3.1
311.12766	7.2
311.95682	1.9
313.10577	5.2
313.14185	3.1
323.09103	9.5
323.12799	31.1
323.16306	2.9
323.25775	2.1
341.10175	17.9
341.13873	24.9
341.19263	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.6
53.94546	0.7
55.01876	1.0
56.96560	1.8
57.03423	2.9
58.71201	0.8
60.80259	0.8
61.02919	1.4
69.03436	6.3
70.06609	1.1
71.04988	3.0
73.04759	1.2
79.05490	1.6
81.03416	8.3
84.08169	1.1
85.02901	2.5
87.04441	0.7
89.03944	1.1
91.05825	6.5
95.04965	0.7
97.02885	2.6
99.04460	1.9
102.12605	0.9
106.06561	1.9
117.07024	0.8
123.04426	11.9
127.03903	1.1
132.93108	0.8
133.02869	10.6
133.07619	3.5
135.04402	2.5
136.07593	0.8
137.05980	1.2
139.03944	0.9
143.45198	0.7
145.07629	1.0
146.08403	1.4
147.04382	3.2
147.09126	1.3
148.04768	1.1
151.03941	4.7
161.05798	1.5
161.07106	21.1
163.03917	3.3
163.08691	1.3
164.31461	0.9
173.07126	4.4
175.08731	1.3
178.08617	1.1
179.03401	100.0
180.03766	2.6
187.08733	0.9
189.06593	8.3
191.03419	0.9
191.08154	12.1
207.07681	18.9
277.11975	1.5
287.10361	1.4
295.12805	3.1
305.11230	6.1
323.12396	44.1
341.13031	2.6
342.99588	1.2
355.33920	0.9
359.02927	1.7
360.02856	1.0
363.78497	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39695	1.5
53.03932	1.8
55.01864	6.8
55.05506	2.5
56.55783	1.5
57.03429	4.0
57.07064	2.7
61.02920	3.4
67.05488	5.0
68.99783	3.4
69.03417	5.7
69.07066	4.1
70.51178	5.3
70.51537	1.7
71.01339	1.4
71.04980	4.3
79.05478	5.5
81.03407	6.2
81.07062	8.5
83.05004	3.1
85.02921	10.9
85.06541	1.8
91.05455	8.1
93.07030	5.0
95.04968	5.5
95.08606	4.5
97.02892	3.3
97.06515	2.2
103.03937	4.9
103.05453	3.0
105.07047	7.8
107.04939	7.4
107.08596	2.5
109.02883	10.7
109.06506	3.1
109.10142	3.0
111.04459	2.6
111.08042	2.4
113.06007	8.8
117.07011	3.3
119.08578	8.9
121.02889	3.6
121.06506	6.7
121.10122	3.1
123.04420	5.7
123.11686	2.7
125.05919	1.6
126.01858	1.5
127.03923	2.6
128.06212	3.9
129.06987	5.5
130.18613	1.5
131.04909	3.7
131.08545	2.7
133.02795	3.2
133.06494	4.1
133.10136	1.7
135.04431	3.5
135.08040	3.0
137.05975	9.0
139.03886	3.4
143.08473	2.0
144.07603	1.6
145.06474	6.1
147.04395	9.5
147.08038	14.0
149.05972	5.8
150.03180	1.6
151.03891	6.9
151.07507	3.7
155.07047	3.0
157.06454	3.7
159.04343	1.8
159.08069	5.1
160.05170	2.0
161.06000	9.8
161.09621	5.1
163.03874	8.3
163.07547	13.3
167.07062	3.5
167.08501	1.6
169.06444	1.8
171.08031	4.9
173.06013	4.4
173.09624	3.3
174.06784	2.1
175.03999	2.6
175.07544	32.8
177.05452	8.9
177.09062	2.5
179.07034	4.7
181.04970	2.7
183.07997	2.9
185.05992	5.9
185.09677	1.7
186.06757	2.1
187.03943	1.9
187.07588	10.7
188.08057	1.9
189.05453	4.7
189.09111	17.3
191.03421	2.2
191.07025	39.6
192.04204	4.3
193.04956	4.5
197.08107	14.4
198.06865	2.1
199.07532	6.6
201.05481	7.3
201.09177	6.0
202.06189	3.1
203.07004	26.7
203.08748	2.1
205.04993	3.7
205.08633	1.7
206.07323	1.7
207.06487	1.9
209.08087	47.4
211.07640	4.1
213.05490	2.4
213.09006	3.4
214.06219	3.4
215.07050	15.4
216.07593	2.2
217.05045	3.9
217.08554	26.7
219.08122	2.0
221.05962	1.9
221.08070	32.8
227.07027	4.1
228.07721	2.7
229.08607	9.2
231.10252	2.3
233.08122	10.2
234.06772	1.9
235.05952	4.5
235.09491	8.7
239.06970	3.1
241.08612	9.0
243.06514	4.0
245.08110	32.0
257.08109	31.3
259.09677	6.9
261.07678	3.6
263.09143	100.0
264.09506	3.2
268.07617	1.7
269.08063	18.6
275.09146	72.6
276.09521	2.2
281.11740	2.7
287.05963	2.3
287.09143	47.7
288.09366	2.7
291.10205	3.1
293.10220	7.2
305.10199	25.7
323.11206	18.5
341.16077	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	341.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01865	5.9
57.03426	3.3
61.02916	3.1
67.05482	3.3
68.99789	2.3
69.03418	3.1
69.07066	1.6
69.43413	8.5
70.55772	0.9
71.01357	1.0
71.04990	3.6
73.02901	1.2
79.05474	3.2
81.03407	5.4
81.07037	2.7
83.04959	1.8
83.40004	0.9
85.02897	9.9
85.06540	1.4
91.05434	5.0
93.07044	1.0
95.01317	1.5
95.04974	4.5
95.08605	1.0
97.02885	3.3
98.21520	1.6
99.04418	1.0
103.03946	3.1
103.05459	1.0
104.86706	0.8
105.07028	2.5
107.04932	4.9
107.08603	1.7
109.02876	9.1
109.06519	2.3
109.10147	1.6
111.04405	1.3
113.05991	9.3
115.05444	3.0
117.07015	2.9
119.04918	1.6
119.08578	4.5
121.02866	3.3
121.06506	4.0
121.10157	1.2
123.04422	4.9
125.02355	0.9
127.03919	2.1
128.06209	2.8
129.07016	4.2
131.04962	2.6
131.08530	1.3
132.05696	1.1
133.02832	3.5
133.06487	4.1
133.10101	1.2
135.04390	1.6
135.08061	2.4
137.06012	4.3
139.03914	3.6
143.08554	3.3
145.06485	3.9
147.04390	6.5
147.08051	8.8
149.06007	5.0
151.03886	7.1
151.07549	2.7
153.01799	1.4
153.05511	1.1
153.06964	1.0
155.07043	2.0
155.08548	1.2
157.04945	1.2
157.06514	3.4
159.08009	3.0
160.05214	1.5
161.05980	8.0
161.09636	3.8
162.06758	1.3
163.03885	7.1
163.07552	11.2
165.05429	1.3
165.07011	1.0
167.07074	1.1
169.06461	1.3
170.07164	0.9
171.08044	5.1
173.06024	4.8
173.09622	2.5
175.03897	2.5
175.07544	31.1
175.09035	2.0
177.05473	6.6
178.06297	1.6
179.07013	3.8
183.07950	1.1
185.05997	4.8
185.09607	1.5
186.06761	2.0
187.07518	6.4
189.05446	4.2
189.09093	16.6
191.03394	2.7
191.07021	32.0
192.04182	3.7
193.04951	3.9
195.07993	1.3
197.06189	2.1
197.08060	12.3
198.06708	1.5
199.07535	8.3
200.04585	1.4
201.05388	6.1
201.09174	4.4
202.06250	2.7
203.07031	28.0
203.10660	1.2
205.04897	2.5
205.08549	1.2
209.08084	38.9
210.08440	1.2
211.07492	2.6
213.05396	1.4
213.09148	2.2
214.06203	2.2
215.07045	15.0
216.07799	1.8
217.05254	4.4
217.08586	26.7
219.06506	1.3
221.08072	30.7
221.10127	1.7
226.06238	1.9
227.07076	5.4
228.07881	1.7
229.08647	7.2
231.06392	1.3
233.08073	7.9
235.06055	3.0
235.09637	6.8
239.07019	2.5
241.08534	7.2
243.06480	2.7
245.08089	30.3
248.08389	1.1
251.09184	1.1
257.08099	24.8
259.09711	5.6
261.07401	1.9
263.09137	100.0
264.09534	4.4
269.08081	17.2
275.09134	48.0
276.09622	1.5
287.09113	38.5
288.09256	1.4
291.10059	1.4
293.10376	4.7
302.04288	3.0
305.10193	19.6
312.78894	1.1
323.11252	14.9
324.11374	1.0
341.12521	3.5
342.06061	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	341.1021
Annotation	Methylophiopogonone A
Peak:m/z	Relative Intensity
55.01863	1.1
55.05513	4.6
57.03424	0.9
57.07066	1.6
63.67096	0.9
65.03944	5.4
67.05502	4.7
69.03426	1.6
69.07068	6.8
71.01353	1.0
71.04957	1.3
71.58723	1.3
74.48855	0.7
77.03934	0.9
79.05500	5.0
81.07056	10.1
83.04982	1.8
83.08619	2.1
84.08096	0.8
85.02879	1.3
85.06541	1.6
91.05479	100.0
92.05811	3.1
93.03410	2.3
93.07046	8.1
95.04970	4.7
95.08601	8.9
97.06535	1.7
97.10194	1.0
99.08072	1.2
100.11262	3.3
103.05475	8.2
105.03379	1.2
105.07039	6.4
107.04967	3.4
107.08596	3.1
109.06517	2.8
109.10145	4.7
111.04472	0.9
111.08048	1.1
115.05453	2.3
117.07016	1.2
117.50394	0.7
119.04951	2.9
119.08569	2.8
121.06530	1.5
121.10146	4.1
122.03667	1.4
123.08095	1.6
123.11720	6.8
125.09650	0.9
128.06239	1.5
129.07005	5.2
129.62743	1.0
131.04921	14.2
131.08566	2.0
133.06490	1.5
133.10115	1.9
135.04379	1.0
135.11728	2.3
137.05966	14.1
137.09584	1.4
137.13260	1.7
139.11238	1.4
141.06941	0.8
143.08498	1.2
144.05644	0.9
145.10172	1.2
147.04387	4.4
147.08087	1.2
147.11696	1.8
149.06000	2.3
149.09636	1.3
149.13243	1.1
151.03894	1.0
151.07556	2.0
151.11200	1.1
153.12770	0.9
155.04930	1.5
157.06473	0.9
159.04294	0.9
159.08092	3.0
159.11597	0.9
160.05191	1.3
161.05977	3.7
161.13177	1.2
163.03900	1.0
163.07535	6.5
165.05653	1.0
165.07014	2.4
165.12747	1.1
166.08694	1.4
167.03409	2.0
167.07050	5.6
167.08446	1.4
167.10684	0.9
168.95538	0.8
169.06462	1.1
172.05229	1.1
173.13310	0.8
174.06755	0.9
175.03976	1.2
175.07570	5.4
177.05487	1.5
178.06284	1.1
178.07787	2.2
179.03438	1.3
179.07095	1.1
181.10091	0.9
182.15361	1.3
183.11775	1.0
187.03947	1.2
187.07526	7.3
187.14830	0.8
189.05392	1.2
189.07007	1.2
191.03394	1.0
191.08553	3.0
193.10249	1.0
197.04448	1.4
201.16452	0.8
202.07803	1.9
203.03421	2.3
203.08556	3.2
204.03978	1.0
205.06601	1.4
206.07275	2.2
207.08087	2.1
215.03474	1.8
217.08582	1.3
219.08031	3.2
220.08800	1.2
221.06161	1.0
221.09634	3.2
223.07658	1.5
231.08066	2.6
232.08899	0.9
233.04433	10.0
234.06775	2.8
235.07504	4.1
237.09016	1.6
247.07556	2.2
248.08305	1.3
249.09145	4.5
251.07326	4.3
251.10675	1.6
257.08096	5.0
263.05231	4.3
263.10767	2.8
265.08606	2.9
267.06467	1.7
267.09476	0.8
276.07632	1.0
277.08578	1.8
279.10095	1.4
281.08499	0.9
281.11774	6.1
283.09570	1.0
287.23724	0.9
291.10120	5.0
293.08093	12.2
294.08725	2.6
295.09589	1.8
305.11658	1.0
305.24759	2.0
309.11197	6.6
310.11765	1.0
311.09125	2.2
313.10779	0.9
323.09140	18.6
323.12701	2.0
323.25839	1.0
326.11530	1.5
341.10181	27.8
341.13885	11.6
342.10382	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.102
Annotation	Cornigerone
Peak:m/z	Relative Intensity
55.01873	61.0
55.05511	2.9
64.13338	1.9
65.03938	4.5
67.05499	3.3
69.03428	2.2
69.07059	2.2
69.94985	10.6
83.04979	3.5
85.02874	2.8
91.05454	3.4
93.07031	2.8
95.04969	2.4
95.08593	2.1
96.02092	5.9
97.02888	2.9
98.21447	3.8
99.86777	1.7
103.05460	4.5
105.07027	11.4
107.04906	2.3
111.04443	16.6
115.05473	11.8
116.10323	1.7
117.07026	3.1
121.02899	2.4
123.04420	1.8
125.18837	1.9
128.06242	2.3
129.07007	4.8
130.04201	3.1
131.04919	7.8
133.06473	23.2
137.02310	3.4
137.06000	6.3
139.03918	9.2
141.06961	2.7
144.05696	3.3
145.06473	9.6
146.03604	3.7
147.04362	2.1
152.06126	2.3
153.05537	4.2
153.06985	10.2
153.08073	2.0
154.07799	3.5
156.05708	2.3
159.04439	2.5
159.08064	3.3
160.05203	3.8
161.05983	35.0
165.07010	17.1
167.03323	4.5
167.07089	2.5
168.05690	3.4
169.06502	3.6
170.03613	4.5
171.04305	3.2
171.05574	4.0
172.05212	3.1
173.06059	10.2
174.06770	13.7
175.07547	6.7
177.06975	2.9
178.07756	3.5
179.08534	3.9
181.06506	19.3
182.07188	6.4
183.08022	3.4
185.06027	6.1
186.03047	2.4
187.03864	4.8
187.07555	5.3
189.05472	56.6
189.06787	2.5
190.05873	3.3
192.05730	3.7
193.06448	9.2
194.07245	5.6
195.08084	2.4
197.06021	4.9
197.09671	5.0
198.06775	1.8
199.07550	7.0
201.05461	29.1
202.06250	14.0
203.06964	9.6
205.06502	6.8
206.07230	3.4
207.08064	5.2
209.05978	15.9
210.06763	22.3
211.07491	8.5
212.04727	2.1
213.05507	3.1
213.09195	3.5
215.06876	2.4
217.08707	3.0
220.05161	8.6
221.05963	19.0
222.06683	6.6
223.07512	6.9
224.08324	8.7
225.09062	8.3
226.06186	3.9
227.07019	22.8
234.06718	3.0
235.07475	10.7
236.08386	3.1
237.05397	16.8
238.06209	18.8
239.07004	10.8
241.08629	5.8
243.06566	10.0
248.04637	7.0
249.05482	13.1
249.09091	4.5
250.06152	10.6
251.06970	9.4
252.07841	13.9
253.04962	4.0
253.08566	44.0
254.09062	3.3
255.06538	24.7
256.07275	4.3
263.07022	36.3
264.07675	5.6
265.04938	20.0
266.05783	7.7
267.06543	23.7
267.10132	5.9
268.07291	2.8
269.08069	4.0
270.08856	6.6
277.05081	6.8
278.05856	2.8
279.06485	7.1
280.07327	21.8
280.10257	2.7
281.08075	40.4
281.11273	3.5
282.08676	9.4
283.06018	18.6
283.08881	2.7
285.11108	8.6
286.08487	2.4
287.09134	11.6
291.06491	8.3
292.07211	8.8
294.05182	3.5
295.06241	4.3
295.09671	17.4
297.07755	2.8
298.08282	12.9
308.06973	4.6
309.07596	61.4
309.10999	3.8
310.08313	20.5
311.09116	2.5
313.10648	24.6
323.09116	36.6
324.08994	2.2
326.07468	3.5
341.10181	100.0
341.13657	5.5
342.10504	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	341.1019
Annotation	Cornigerone
Peak:m/z	Relative Intensity
52.98133	4.5
54.72792	4.4
55.01872	67.0
55.05500	6.7
56.96546	8.9
57.03429	4.4
58.40766	4.3
65.03921	5.9
65.35993	4.3
67.05495	8.5
69.07056	8.0
70.88219	9.3
79.05487	13.6
81.07051	13.8
82.90399	4.7
85.02863	4.8
88.38425	5.6
91.05438	7.9
91.05812	5.8
93.06992	6.6
95.04961	8.5
95.08594	10.8
96.02103	5.4
97.02876	5.2
103.05475	9.2
105.07027	27.6
107.04976	22.3
107.08570	5.4
109.06522	6.0
111.04409	13.6
115.05466	14.9
119.04939	7.3
119.08604	4.7
123.04478	6.1
128.06180	7.9
129.07008	23.1
131.04953	11.2
133.06532	29.1
137.05972	64.5
139.03925	9.1
143.04912	5.8
145.06470	17.7
147.04378	7.5
147.08072	4.8
151.03850	5.7
151.07481	6.4
153.05403	7.6
153.06970	8.2
154.67903	5.3
155.04907	8.0
157.06493	9.0
159.07997	13.7
161.05978	42.2
163.03815	6.6
163.07581	8.9
165.06984	21.2
167.03397	7.3
167.07101	33.3
168.05739	6.8
169.06525	7.4
170.03665	5.3
173.06026	12.6
174.06755	20.2
175.07553	29.5
176.57417	4.6
177.05502	6.6
177.07043	5.5
178.07768	7.6
179.08487	7.1
181.06435	18.9
185.05977	9.7
187.07529	50.3
189.05481	64.5
189.07013	7.7
189.09045	5.7
191.07043	5.8
192.05737	6.4
193.06480	9.6
195.08014	8.6
196.05194	6.1
197.06015	6.7
198.06790	4.9
199.07513	7.9
201.05489	31.7
202.06175	19.9
202.07750	8.0
203.06873	11.2
203.08591	12.6
205.06519	8.7
206.07294	11.1
207.07864	7.5
209.05972	16.5
210.06783	21.4
211.07597	22.5
212.04686	5.8
215.06721	5.2
217.08487	9.9
219.08047	7.2
220.05199	11.5
220.08823	8.1
221.05978	21.2
221.09576	18.0
222.06720	8.0
223.07487	10.4
224.08315	9.6
225.05359	4.9
225.09103	13.6
226.06270	4.8
227.06990	43.2
228.81815	4.3
231.08063	15.7
232.08975	6.0
233.05983	5.7
234.06740	15.9
235.07520	23.9
236.08176	6.2
237.05473	25.4
238.06277	15.0
239.06978	14.4
240.07831	11.7
241.08597	6.8
243.06596	12.5
245.06088	5.3
247.07581	11.7
248.08328	6.0
249.05446	12.5
249.09044	17.2
250.06105	9.8
251.06987	17.1
251.10771	5.2
252.07750	18.2
252.10239	5.2
253.08591	48.5
254.09169	5.3
255.06520	34.8
256.07257	13.2
259.12411	6.7
263.07025	37.5
263.10617	10.8
264.07703	7.6
265.05045	17.6
265.08575	10.7
266.05841	5.1
267.06573	25.1
267.09164	4.8
269.08020	6.0
270.08939	16.6
271.09631	16.7
276.07828	7.6
277.05209	5.7
277.08588	17.8
279.06433	15.9
279.09927	5.4
280.07486	24.8
281.08035	42.1
281.11713	34.8
282.08875	6.4
283.05994	15.5
283.09286	7.0
285.11148	9.9
287.08981	15.7
291.06842	8.9
291.10010	34.9
292.07297	5.9
294.05328	6.5
294.08627	8.0
295.09711	24.1
298.08325	13.0
308.06839	6.6
308.10291	7.3
309.07535	69.1
309.11157	36.8
310.08316	18.9
313.10736	33.4
323.09100	56.1
323.12787	21.0
326.07648	6.8
328.47549	6.4
341.10141	100.0
341.13892	54.6
341.19098	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	341.0866
Annotation	AESCULIN
Peak:m/z	Relative Intensity
55.05505	0.2
57.03418	0.4
57.97787	0.2
61.02920	0.3
67.01855	0.5
67.05486	0.2
68.99773	1.0
69.03426	1.9
70.06591	0.3
70.50898	0.8
71.01322	0.3
71.04971	0.4
81.03410	1.7
81.07043	0.3
82.42875	0.2
84.21804	0.2
85.02893	0.7
91.05820	0.5
95.04971	0.3
97.02879	0.5
98.97578	0.2
99.04454	0.5
105.03397	0.5
105.06991	0.3
109.02853	0.3
111.04436	1.1
119.04958	0.2
123.04430	0.6
124.07568	0.2
127.03906	0.4
129.07066	0.3
131.04897	0.3
133.02818	0.6
133.06493	0.3
133.07564	0.5
134.99657	0.2
137.02322	0.4
137.05989	0.7
144.05664	0.2
147.04390	0.5
151.03854	0.3
155.03355	1.0
160.07498	0.3
161.02333	0.3
161.05949	0.3
161.07104	1.1
163.03926	0.4
163.08699	0.6
175.03943	0.3
175.07503	0.4
177.05411	0.3
179.03384	100.0
180.03696	1.6
181.05037	0.2
187.07515	0.2
189.06596	0.4
191.08330	0.3
207.07661	8.6
208.06825	0.3
209.08038	0.3
217.08577	0.5
245.07993	0.3
260.60117	0.2
263.09021	0.5
269.08200	0.3
275.09189	0.6
291.10352	0.2
305.10883	0.2
309.35468	0.2
323.12366	3.0
341.12900	1.6
342.99854	0.4
359.02969	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53038	0.2
55.01855	0.2
57.03430	0.3
61.02916	0.5
65.03951	0.2
67.05473	0.2
69.03428	1.1
71.04443	0.5
71.04803	0.3
81.03391	0.4
85.02900	2.3
89.03912	0.7
91.05810	0.4
95.04940	0.3
97.02887	0.8
98.39793	0.2
105.03407	0.4
109.02834	0.6
117.03387	0.5
119.42736	0.2
123.04428	11.3
127.03893	0.4
133.01830	0.5
133.02847	10.1
135.04419	1.7
145.05009	0.3
151.03897	3.9
163.03958	0.3
172.79114	0.2
179.03389	100.0
180.03748	1.7
187.07483	0.2
299.78302	0.3
337.87744	0.2
341.08688	0.4
341.12366	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0868
Annotation	AESCULIN
Peak:m/z	Relative Intensity
53.03949	0.3
53.22722	0.2
54.70528	0.2
57.03418	0.4
61.02912	0.4
69.03413	1.1
69.53294	1.8
69.53698	0.6
72.45609	0.3
74.06800	0.3
79.05520	0.3
81.03397	0.5
85.02908	2.1
89.03904	0.5
92.83408	0.3
95.04945	0.3
97.02902	0.6
105.03384	0.6
109.02886	0.3
109.26176	0.3
123.04432	10.6
127.03895	0.3
133.02856	10.9
135.04402	1.6
151.03915	3.7
179.03398	100.0
180.03784	1.5
214.90419	0.3
237.13237	0.3
248.48616	0.4
265.77533	0.3
341.08716	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	9.0
57.03416	6.8
61.02927	8.9
66.30618	4.1
67.05502	5.6
68.01407	4.8
69.03423	45.6
69.07431	4.2
71.04974	6.1
71.10779	12.8
81.03402	27.6
85.02434	6.6
85.02906	100.0
87.00823	44.1
91.05460	29.7
97.02887	37.0
98.97575	6.7
99.04439	11.2
105.01859	83.3
108.04459	5.9
109.02870	24.8
116.98628	7.2
119.04935	27.8
119.16763	4.5
127.03915	80.7
134.14496	4.3
145.04956	32.6
147.04430	28.6
147.09154	6.2
148.04732	6.3
151.93587	4.7
159.02881	10.4
163.08691	6.6
164.04401	4.8
175.03883	37.0
175.08702	5.3
182.08055	7.1
185.39989	4.7
189.03966	6.2
207.06537	63.7
215.33463	5.1
231.05051	20.2
231.18240	4.6
249.05945	6.3
250.10605	4.9
251.35641	5.5
283.63416	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	340.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.1
55.01852	6.7
56.84570	2.4
57.03429	7.9
61.02922	6.6
61.29166	2.6
65.64448	2.5
67.05493	4.5
68.99741	3.0
69.03423	42.8
69.07037	2.5
70.06577	4.0
71.04966	5.9
71.19550	3.5
71.19859	3.8
72.99531	2.4
73.02917	6.8
79.05473	3.2
80.09444	2.5
81.03414	25.4
84.08132	3.4
85.02904	100.0
86.09723	2.7
87.00828	44.7
88.03989	3.9
91.05396	17.5
97.02904	26.4
99.04451	9.8
105.01864	84.7
105.03355	4.7
109.02872	29.2
117.07075	2.7
119.04932	18.9
127.03911	71.9
137.05949	4.1
145.04968	23.9
147.04424	22.1
149.06036	3.7
152.07133	3.1
159.02863	9.4
166.06274	3.0
175.03920	24.0
179.07018	3.0
181.08635	4.7
184.31680	3.2
191.06927	4.4
203.06987	3.7
207.06514	46.1
209.08144	4.6
217.08530	3.5
231.04982	18.3
247.11867	2.8
263.09073	4.8
268.24182	2.7
275.09119	4.7
287.08844	4.8
306.22223	2.8
318.11505	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	340.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.6
55.01854	6.7
56.96556	7.3
57.03436	4.7
61.02913	4.8
65.03953	6.4
68.99787	7.4
69.03429	34.3
71.04980	3.7
73.02911	7.0
74.02411	5.8
81.03419	20.8
81.07013	3.7
84.08112	6.5
85.02903	100.0
87.00817	44.5
91.05495	6.2
97.02888	40.4
99.04457	15.6
105.01190	4.7
105.01861	73.7
105.04535	2.8
105.07014	5.0
107.04919	3.8
108.04483	3.7
109.02883	37.5
110.07129	4.1
111.04447	3.7
114.16250	3.4
114.88665	3.2
119.08530	3.8
121.02847	5.5
127.03913	76.8
129.01849	3.9
130.08643	4.3
131.33449	3.4
139.03902	13.0
140.04240	3.7
145.04964	33.7
149.02351	24.8
150.02766	3.2
153.01834	44.3
154.02235	4.0
159.02907	11.9
163.03972	5.4
167.03426	5.7
175.11118	5.2
189.03853	3.7
193.12320	6.4
195.02879	7.9
198.39233	4.0
199.86400	3.1
204.13492	3.9
213.00693	9.0
213.03798	4.6
219.02985	4.6
229.04904	6.3
229.47519	4.2
231.04977	15.7
241.00189	9.7
247.05998	8.9
252.16110	4.1
268.99643	15.7
275.05527	15.6
276.05658	4.0
287.00778	13.5
303.01801	6.7
303.04984	10.2
349.02194	4.3
359.00665	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	340.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.5
55.01865	9.1
57.03424	6.2
61.02920	10.7
68.92113	2.9
68.99796	2.8
69.03430	44.3
71.01354	2.4
71.04990	7.3
71.10564	5.8
71.10900	2.8
73.02901	6.6
78.03017	2.8
81.03423	24.6
85.02905	100.0
87.00828	53.7
91.05445	21.4
95.04975	3.5
97.02900	37.8
99.04441	16.4
105.01856	82.0
109.02869	30.1
119.04922	23.8
121.06461	4.0
127.03909	72.1
145.04951	33.2
147.04417	20.8
156.74257	2.8
159.02856	9.7
166.06245	6.4
175.03909	30.1
178.08598	2.7
179.07063	3.2
181.08524	6.8
189.03973	5.3
194.67468	3.1
207.06535	47.8
220.03247	3.4
224.46307	2.8
226.06880	3.7
227.67627	2.7
231.04993	22.0
238.91835	2.9
249.05978	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	340.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	2.4
66.55048	0.8
69.03408	1.1
70.85516	2.4
79.05442	0.8
85.02905	1.4
91.05476	28.9
93.24293	0.9
95.04971	1.0
98.06017	1.0
102.61164	0.8
103.05402	0.9
119.04103	1.9
119.04942	36.6
129.03375	1.1
132.02036	2.9
135.04430	1.5
140.03452	1.2
143.53995	0.8
145.02762	0.9
147.04405	30.1
149.02376	1.4
157.03976	2.4
163.08569	0.9
175.03905	54.2
175.08653	1.3
179.07018	4.4
182.08128	3.4
207.06514	100.0
220.65685	0.9
222.11212	0.8
250.10722	1.7
268.11694	1.6
322.13159	0.9
340.14050	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.6
57.03432	0.7
63.02380	0.6
65.03931	3.2
67.05503	0.6
69.03415	2.2
69.78960	3.4
70.06583	0.8
73.04774	0.6
77.03909	0.8
79.05485	1.4
81.03408	1.3
84.04501	0.8
85.02895	2.4
86.03229	0.6
89.03920	1.6
91.05480	35.1
93.07047	0.5
95.04964	0.9
97.02905	0.9
98.20821	0.6
100.07626	0.7
103.05464	1.3
105.01875	0.8
105.03388	0.9
107.04964	1.5
110.06068	1.1
116.98618	0.7
119.04948	44.1
120.05283	0.9
120.08125	1.0
123.04452	0.6
123.08041	0.7
127.03900	1.3
129.03391	0.7
131.04926	0.7
132.02087	2.5
135.04395	1.7
135.09123	0.7
136.05186	1.2
140.03368	0.7
145.02872	1.4
145.04958	0.8
147.04419	39.1
147.09148	2.4
148.04839	1.1
149.02356	2.0
157.03964	3.4
162.03098	0.6
163.03888	0.9
163.08667	1.7
164.04733	0.9
165.09134	0.5
166.08598	1.3
175.03917	60.3
175.08684	4.1
176.04260	1.5
178.08656	0.8
178.40015	0.6
179.06998	3.1
182.08124	1.4
192.04141	0.6
204.87170	0.6
207.06535	100.0
208.06879	3.2
240.45303	0.5
250.10745	1.2
260.85815	0.5
264.85367	0.5
268.11856	0.6
322.13281	1.1
340.14078	1.3
341.11407	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2892
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
50.40565	1.1
55.05510	41.1
57.03439	14.6
57.07080	16.6
59.40178	1.3
65.03927	1.3
67.05171	2.3
67.05502	25.8
69.07067	57.7
71.04987	3.1
71.08635	7.4
71.59000	1.6
79.05488	12.4
81.07051	33.9
83.08618	30.8
85.06521	2.0
85.10189	2.8
91.05495	2.5
93.07029	13.1
94.81436	1.4
95.08605	31.2
96.35358	1.3
97.06526	4.9
97.10172	18.0
107.08603	10.1
109.10153	17.0
111.08070	4.0
111.11736	5.5
119.08542	1.8
121.10143	13.6
123.11714	2.4
123.40786	1.4
135.11679	8.2
145.02873	1.3
149.13283	6.0
153.12775	1.5
210.59526	1.5
247.24219	3.7
265.25333	4.2
310.53928	1.4
339.28955	100.0
340.29230	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	339.2893
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
55.05513	47.2
57.03442	23.5
57.07082	22.6
65.03940	2.4
67.05505	34.1
69.07066	72.0
71.08637	15.0
71.58536	4.5
79.05497	14.4
81.07063	36.4
83.04950	3.1
83.08620	42.4
85.06553	3.0
85.10173	5.9
91.05501	3.9
93.07036	17.6
95.08603	46.3
96.08956	3.2
97.06518	7.4
97.10167	24.4
99.08105	3.6
105.07059	3.4
107.08569	12.8
109.10162	22.1
111.08105	2.8
111.11749	8.2
119.08611	3.8
121.10148	20.5
123.11730	6.2
125.09634	3.9
135.11734	10.1
139.11205	3.6
149.02376	4.8
149.13341	6.1
159.88727	2.5
175.11327	2.8
177.05495	3.8
193.05029	11.0
215.29288	2.4
224.65720	4.9
247.24284	5.5
265.25443	6.5
271.86624	3.2
283.16971	7.5
339.28934	100.0
339.77780	3.8
340.29279	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2529
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03937	6.2
55.01863	8.1
55.05511	21.2
57.03422	10.5
57.07067	7.1
62.50099	2.9
65.03945	3.7
67.05505	40.4
69.03413	10.2
69.07062	48.1
69.62437	22.1
71.04998	25.0
77.03945	3.6
79.05499	34.3
81.07057	90.8
83.04964	7.8
83.08617	9.3
85.02912	6.8
85.06528	7.5
89.03889	4.3
91.05482	30.4
93.07046	100.0
93.07630	5.3
95.04982	21.4
95.08606	79.1
97.06519	12.9
99.04464	5.0
99.08098	6.4
100.11220	6.8
105.07035	36.1
107.04932	12.4
107.08057	3.1
107.08603	30.5
108.49388	3.3
108.66312	3.7
109.06529	19.4
109.10142	28.2
111.08073	10.9
115.05415	4.7
117.03393	10.9
117.07007	5.7
119.08589	33.3
121.02732	2.9
121.06494	16.1
121.10149	65.3
123.08076	9.7
123.11711	35.5
125.05898	4.5
125.09602	8.6
127.07599	5.0
127.11169	4.6
129.06985	6.7
131.08542	12.6
133.10126	15.1
135.04385	5.7
135.08034	11.6
135.11700	16.4
137.05965	11.9
137.09575	14.8
137.13243	17.2
139.11166	21.6
142.07745	5.7
143.08563	7.1
145.02835	18.4
145.06467	6.1
145.10136	26.7
147.08076	4.5
147.11644	18.0
149.05933	7.0
149.09633	7.6
149.13133	4.3
151.11182	7.0
153.12729	12.2
157.10110	10.5
159.08083	4.5
159.11671	9.6
161.13214	5.1
163.03899	7.8
163.11133	9.4
165.12816	3.7
167.07040	5.0
167.10745	5.8
171.11740	11.7
173.05946	10.7
173.13158	5.9
177.05460	34.2
181.12337	6.0
187.07536	5.6
187.14873	5.9
189.12727	5.7
189.16302	3.6
190.06125	6.6
191.08562	4.1
199.11128	4.6
199.14880	9.5
205.06657	5.2
205.08560	8.2
207.13777	4.6
210.62807	3.4
215.18080	4.3
217.08646	3.6
217.12250	14.4
219.08002	9.7
221.05972	6.3
224.44052	3.8
235.07516	9.3
235.13350	9.6
235.16904	4.5
236.08330	5.7
237.09041	3.4
247.07545	5.0
247.09784	4.8
251.10858	4.6
263.07007	6.4
264.07797	7.8
265.08664	8.2
266.09351	4.4
273.10303	4.9
278.09097	4.2
279.10052	9.8
281.08163	4.3
291.11407	6.9
292.07242	5.1
303.23178	7.8
307.09567	11.8
311.12787	18.0
321.24295	10.1
339.05356	3.6
339.12195	30.3
339.25354	7.1
340.12775	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	339.2529
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03939	5.4
54.09636	3.8
54.47050	4.0
55.01866	6.0
55.05507	24.4
56.09272	3.9
57.03440	6.4
57.07073	4.9
59.04987	7.2
67.05508	42.2
69.03418	15.8
69.07067	43.8
70.71914	7.9
70.72257	5.2
71.04996	24.3
79.05489	28.5
81.03415	7.8
81.07053	100.0
82.80595	4.7
83.04995	8.7
83.08627	12.6
85.02910	5.9
85.06538	6.8
85.70985	3.8
91.05458	22.4
93.06473	7.1
93.07043	93.2
95.04957	24.3
95.08615	81.0
97.02877	4.2
97.06522	14.2
97.10181	4.5
99.08118	6.7
103.05459	5.0
105.07035	32.5
107.08594	34.5
109.06490	29.4
109.10159	46.1
111.08064	19.9
111.11759	8.2
117.03404	4.3
117.07031	7.0
119.08556	27.2
121.10146	59.0
123.08082	7.3
123.11722	32.5
125.09610	7.5
127.07529	4.3
127.11179	7.6
131.08582	10.0
132.92307	4.3
133.10129	22.1
135.08066	5.1
135.11684	27.5
137.05980	5.4
137.09613	11.3
137.13266	24.2
139.11201	28.2
145.02847	19.3
145.10141	22.2
147.11716	15.1
149.06004	5.0
149.09636	6.8
149.13292	7.5
151.11168	7.9
153.12741	14.0
157.10147	8.3
159.11671	12.2
161.05910	5.6
161.09641	4.8
161.13191	5.2
163.11163	8.7
163.14853	5.9
165.12733	6.3
167.03468	5.9
167.10628	8.1
173.13208	10.0
174.15817	4.2
175.14799	6.8
177.05458	31.7
187.14850	5.4
189.05406	5.9
193.76515	4.9
199.14832	10.6
207.06567	5.4
217.15849	8.9
219.08070	5.3
235.17006	4.2
244.20341	4.7
247.07491	4.4
251.10635	4.7
264.07709	7.2
279.11243	17.6
280.62695	4.3
285.22217	11.9
303.23175	18.7
307.09607	8.8
309.07504	6.0
321.24258	11.8
339.08615	29.4
339.12878	17.6
339.20090	5.5
339.25238	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	339.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.2
55.01874	6.0
55.05509	23.4
57.03437	8.2
57.07082	8.9
59.05003	4.0
65.03935	4.8
67.05501	40.1
69.03441	16.5
69.07070	46.7
69.93733	16.9
71.04993	23.3
79.05500	30.1
81.03409	11.2
81.07057	100.0
83.04974	13.6
83.08620	9.2
85.02900	5.5
85.06555	6.2
91.05474	32.0
93.07045	92.0
95.04967	27.7
95.08608	89.4
97.02881	8.5
97.06528	18.6
97.10146	7.9
99.04451	3.5
99.08108	5.0
103.05473	3.0
105.07030	30.9
107.04965	9.6
107.08588	35.8
109.02889	6.5
109.06532	18.4
109.10152	45.0
110.06110	3.5
111.08082	8.7
111.11718	4.6
115.05466	6.2
117.03387	14.0
117.07014	11.8
119.04957	4.6
119.08573	33.2
121.06473	5.8
121.10148	73.4
122.03706	3.2
123.08054	10.1
123.11729	32.7
125.05948	5.0
125.09637	10.1
128.06219	4.6
129.07025	4.6
130.55644	3.2
131.04915	5.1
131.08559	10.7
133.10110	17.0
135.04442	8.9
135.08041	6.9
135.11726	15.3
137.05981	21.5
137.09621	19.3
137.13255	15.2
139.11194	26.5
143.08527	5.3
145.02827	28.3
145.06442	8.6
145.10112	16.0
147.08023	3.5
147.11705	13.2
149.05992	4.7
149.09608	7.7
149.13297	7.5
151.03897	6.1
151.11235	9.8
153.12730	9.1
155.10789	3.7
157.10141	6.8
159.11703	13.9
161.09645	6.0
161.13196	6.2
163.03920	27.9
163.11235	5.2
163.14847	6.8
165.09151	10.4
165.12788	4.8
167.10690	10.4
169.10144	3.4
173.05930	12.4
173.13196	5.6
175.14804	4.5
177.05475	50.7
177.06917	5.6
177.12856	4.3
177.16325	4.1
181.90335	3.6
185.13316	3.8
189.05528	5.4
189.07065	4.2
190.06209	5.7
190.07649	6.9
191.08572	4.0
199.14888	8.4
203.08611	4.1
205.06490	8.7
205.08577	8.2
206.07387	4.1
217.08586	5.3
217.15958	5.9
218.07356	7.7
219.08057	15.1
220.08949	5.6
221.05966	5.8
221.09541	4.4
233.09581	4.7
234.06680	5.3
235.07591	13.9
236.08359	7.0
237.08969	4.3
246.06717	6.4
247.07564	10.2
247.09621	8.8
248.08249	4.9
249.09109	9.0
250.06238	3.4
251.10652	7.3
261.09167	11.5
262.25436	3.6
263.07031	12.0
264.07755	12.7
265.08591	15.5
277.08627	10.1
279.10089	16.0
281.08005	6.5
292.07315	6.4
293.07843	3.5
297.11142	5.8
303.23264	12.6
307.09555	18.1
311.12723	22.5
321.11127	13.1
321.24295	10.8
322.11996	4.2
339.08331	5.8
339.12238	50.4
339.25397	7.6
340.12854	13.0
343.30478	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	339.155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07594	1.3
52.69999	1.4
56.96550	1.9
60.61928	1.3
67.05503	4.2
69.03428	2.6
70.89782	1.3
71.15625	2.8
71.15939	1.5
74.15813	1.2
74.96906	1.4
77.79264	1.3
78.89163	1.5
79.05486	6.2
81.03397	2.3
81.07058	7.5
85.02882	4.1
91.05489	5.7
93.07047	2.6
94.06556	5.1
95.04993	3.2
95.08570	1.6
96.04517	1.6
96.08114	2.0
97.02924	2.1
104.80677	1.5
106.06503	1.9
107.04959	2.4
109.06499	1.7
110.06053	12.6
112.07618	2.5
116.98583	2.8
117.03381	2.1
119.04934	2.5
120.04514	1.5
120.08104	3.5
121.06508	2.3
121.08463	1.7
122.06042	20.9
123.04350	1.6
123.06761	1.7
124.07603	14.4
134.06012	20.1
135.04417	4.3
136.07574	84.8
137.05995	2.6
137.07915	1.5
138.05464	1.5
138.09161	2.2
140.07057	9.0
145.02859	4.6
147.04433	5.5
150.05487	7.9
152.07066	94.1
158.08192	2.0
163.03886	21.9
164.07068	100.0
168.06555	1.7
170.08165	11.5
175.03966	1.9
177.00713	1.6
177.05524	5.6
181.08743	1.8
182.08118	25.5
182.09558	2.5
207.06534	5.4
214.12221	3.3
232.13356	1.7
242.11769	2.0
243.07793	1.5
260.12787	7.0
273.05853	1.7
285.12238	2.4
303.13379	53.2
307.09766	1.8
321.14368	7.3
339.11530	2.9
339.15552	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	339.1227
Annotation	Vitrofolal A
Peak:m/z	Relative Intensity
55.05507	3.9
56.96546	2.0
58.55742	1.5
65.03933	3.2
67.05492	5.3
69.03429	4.0
69.07055	4.0
69.35969	11.1
69.36397	6.3
79.05486	6.6
81.03408	4.1
81.07050	9.7
82.56445	1.6
83.08621	1.9
85.02896	2.9
91.05447	10.1
93.07024	5.2
95.04981	4.7
95.08609	4.3
97.02885	12.5
97.06548	1.8
97.10150	2.5
103.05466	3.4
105.07029	9.5
107.04962	6.5
107.08608	4.8
109.06513	4.6
109.10154	5.5
110.03651	3.1
111.04450	3.7
115.05459	1.9
117.03429	2.2
117.07047	2.2
119.04952	6.0
119.08584	2.9
121.02843	1.9
121.06462	4.2
121.10118	2.4
123.04426	18.6
123.11678	2.1
124.50153	2.3
125.05982	5.2
128.06252	2.4
129.07018	3.3
133.06471	5.1
135.11662	2.0
137.05969	34.6
143.04828	2.2
144.05682	2.4
145.02864	6.8
145.06462	5.0
147.04387	5.8
149.05966	7.1
153.05449	5.7
153.12767	2.1
159.08080	7.8
160.05193	4.3
161.05981	6.3
163.07555	3.1
165.05553	2.5
165.06969	3.8
171.04390	4.3
173.06104	1.8
175.03911	6.6
175.07491	3.0
177.05453	9.6
178.07674	4.5
179.08562	3.5
185.05963	3.5
185.32779	1.9
186.06743	6.5
187.07588	2.5
188.29576	1.9
189.05440	19.0
189.07031	8.2
190.07698	11.9
191.08559	12.5
193.06496	3.4
201.09158	2.1
202.07822	4.4
203.06996	6.6
203.08644	5.2
205.06520	7.6
206.07274	3.0
207.06390	13.1
207.08092	6.3
208.08745	8.3
214.06258	6.2
215.06973	2.4
217.06480	3.7
217.08473	3.3
218.07248	13.7
219.08031	28.9
220.08707	8.6
221.05980	13.8
221.09598	4.7
222.06636	3.5
223.07549	4.2
225.09119	3.2
229.08540	12.8
231.08089	4.4
232.05165	2.0
233.06044	4.3
233.09618	5.5
234.06767	5.2
235.07564	21.6
236.08276	12.6
237.09201	5.3
238.06313	1.9
239.07001	2.5
245.06096	1.8
246.06789	7.5
247.07530	20.1
248.08286	5.3
249.05496	5.6
249.09099	8.4
250.06302	4.2
250.09897	2.9
251.06984	3.4
251.07935	2.7
251.10629	25.6
253.08578	6.6
261.09113	6.6
262.06226	2.8
263.07022	12.4
264.07846	30.3
265.08569	15.8
275.07153	7.2
277.05237	1.6
277.08548	10.0
278.09421	9.3
279.10126	28.8
280.10751	4.0
281.08063	13.5
289.08542	3.2
292.07297	8.1
293.08130	7.0
293.11450	3.1
294.08920	2.3
295.09579	2.7
296.10327	3.3
300.31866	2.1
306.08823	2.2
307.09610	48.4
308.10312	9.2
309.07687	3.6
311.12741	44.0
311.16211	3.0
321.11267	6.4
321.23993	2.4
324.09814	6.4
339.12259	100.0
340.12772	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	339.1225
Annotation	Vitrofolal A
Peak:m/z	Relative Intensity
50.29617	1.0
53.03938	1.7
55.01864	3.2
57.03440	1.3
65.03939	2.7
66.15326	1.0
67.05489	1.2
69.03408	1.7
69.78178	7.7
79.05476	3.0
81.03420	5.9
85.02908	5.5
91.05474	3.5
95.04955	1.1
97.02880	3.4
103.05465	1.6
105.03407	1.2
107.04973	6.6
109.02881	6.4
110.03679	2.1
111.04471	2.8
115.05456	3.5
115.90950	1.2
117.07052	1.3
121.02881	2.0
123.04427	1.4
125.05971	4.4
127.03944	1.6
127.61504	1.1
128.06247	3.2
129.07008	2.2
131.04886	1.3
133.06465	1.5
137.05954	5.1
144.05695	1.4
144.65829	1.2
145.02811	2.7
145.06485	4.6
146.07253	2.3
149.05981	1.3
152.06177	1.2
153.05446	5.7
155.04886	2.0
158.07303	1.4
159.08026	9.1
165.05785	1.3
165.06953	8.0
167.07092	2.7
171.04414	4.4
175.03831	1.2
175.07591	1.3
176.06154	1.3
177.05479	3.8
177.06973	2.2
178.07799	5.6
179.08568	6.1
180.09268	1.7
181.06438	2.4
185.06007	10.2
186.06801	8.7
189.05551	1.6
189.06989	9.4
190.07780	9.7
191.08537	16.1
192.09113	1.8
193.06480	6.5
194.07268	2.7
195.08070	2.8
199.03893	3.0
202.07722	7.4
203.08540	6.3
204.05707	1.6
205.06473	11.9
206.07260	6.3
207.06456	1.7
207.08080	14.6
208.08803	9.8
209.09570	1.8
210.06721	1.7
211.07498	1.8
214.06267	15.5
215.08600	1.3
217.06523	2.6
218.07266	16.0
219.08044	34.2
220.05309	1.8
220.08794	17.9
221.05959	17.6
221.09381	6.0
222.06720	3.7
223.07660	2.1
223.11127	2.6
225.09099	3.4
229.06664	1.4
229.08604	30.3
231.08096	2.0
233.06029	5.3
233.09613	3.1
234.06688	8.3
235.07542	34.6
236.08324	25.6
237.09077	6.2
238.06351	2.5
239.06946	2.2
246.06746	7.1
247.07553	22.6
248.08350	8.4
249.05426	7.8
249.09189	8.2
250.06137	6.1
250.09866	3.5
251.06973	2.7
251.10678	42.4
252.11003	2.0
253.08696	7.0
259.07391	1.5
261.05515	2.3
261.09048	6.3
262.06348	2.8
263.07019	19.2
264.07813	53.5
265.08533	19.2
266.05881	2.2
266.08966	1.5
267.10187	1.9
275.06924	7.0
276.07645	1.5
277.05255	2.0
277.08588	8.5
278.06122	2.0
278.09308	12.0
279.07019	2.3
279.10156	39.2
280.07422	1.7
280.10779	5.3
281.08109	15.5
281.11038	2.1
282.08636	1.3
283.13181	1.7
285.07446	1.7
291.06384	1.9
292.07285	9.5
293.08115	14.0
294.08615	1.8
295.09656	3.6
296.10382	3.5
306.08792	4.6
307.09631	85.8
308.10275	21.7
309.07562	2.4
309.10812	1.8
310.12140	1.2
311.12766	63.1
312.13052	3.2
321.11163	1.4
323.09128	1.5
324.09930	9.5
325.10458	1.6
339.12253	100.0
340.12701	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	339.1072
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
51.02364	0.3
52.38871	0.2
53.03946	1.6
55.01854	0.4
55.05511	0.4
57.03416	0.6
61.02934	0.3
65.03938	4.0
67.05502	0.5
68.99783	0.4
69.03430	4.3
69.07043	0.5
70.05203	0.7
70.05604	0.5
70.06586	0.5
71.05009	1.1
79.05476	0.7
81.03419	8.0
81.07047	0.4
83.04978	0.5
84.08135	0.3
85.02904	3.7
87.00794	1.2
91.05479	100.0
92.05822	0.7
93.07063	0.3
95.04951	1.2
97.02884	1.8
99.04464	2.1
103.05470	0.2
105.07025	0.9
107.04969	0.6
109.02876	5.5
111.04465	0.8
117.03368	0.4
117.07025	0.5
119.04956	0.8
119.08573	0.4
121.06506	0.3
122.06068	0.3
123.04469	0.3
125.02348	0.3
127.03917	6.8
128.06206	0.5
129.05415	0.3
129.07011	0.6
131.04945	0.5
131.08586	0.3
133.06496	0.3
135.04427	0.7
136.07677	0.2
137.06001	1.3
143.08528	0.3
145.02881	0.6
145.06450	0.6
146.62503	0.2
147.04410	1.5
149.02361	0.3
149.06009	0.3
151.03868	0.6
155.04976	0.2
161.05977	0.4
162.05507	0.7
163.03928	1.8
171.08138	0.5
174.22861	0.3
175.03955	0.5
177.05463	1.2
181.09790	0.2
189.05486	0.4
191.03415	2.9
192.31989	0.2
195.02954	0.5
199.07567	0.6
207.06453	1.2
213.03886	0.3
219.02895	5.9
219.04868	0.5
226.54768	0.2
231.04877	0.3
247.07629	0.3
278.09006	0.2
321.11090	0.3
322.12799	0.3
339.08536	1.4
339.12125	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1226
Annotation	Vitrofolal A
Peak:m/z	Relative Intensity
50.11951	1.7
50.35714	1.6
53.03926	2.4
55.01874	20.0
59.06215	1.9
67.05489	2.0
69.03410	2.3
69.80971	12.3
79.05479	7.7
81.07041	8.4
89.03896	2.7
91.05454	11.0
93.07018	3.1
94.04157	8.7
95.04957	3.8
97.02876	4.0
97.88023	2.1
98.21483	3.5
103.05475	12.3
105.07028	10.1
107.04959	4.2
109.02892	2.4
109.06506	6.5
111.76289	1.8
115.05456	5.7
117.03338	4.0
117.06986	2.4
119.04957	3.0
122.03651	15.6
129.06972	2.1
130.04170	2.3
131.04915	9.3
133.06467	5.9
137.05971	74.1
138.06290	2.5
144.05693	4.6
145.02847	5.0
145.06494	2.8
146.03613	8.9
147.04390	6.0
149.05952	5.0
150.03105	2.8
151.03938	3.0
155.04921	14.1
157.06418	2.3
159.08098	3.6
161.05977	43.0
162.06726	7.0
163.07474	4.4
165.05505	49.4
165.06976	9.3
166.05637	2.4
172.05235	4.7
177.05463	18.3
177.06889	3.0
178.07750	3.8
179.07001	2.3
179.08514	6.5
181.06534	3.2
183.04410	9.0
185.05934	3.6
187.07602	12.3
189.05428	3.2
189.06985	23.1
190.07729	28.4
191.06915	2.8
191.08539	27.3
193.06430	2.4
194.07396	2.4
195.07997	3.0
200.04601	2.9
200.06297	2.3
201.07010	8.9
202.07784	10.3
203.08533	9.0
205.06494	8.8
206.07234	7.2
207.06453	3.0
207.08070	17.6
208.08788	7.8
215.06908	14.5
217.06445	7.2
218.07251	62.4
218.09299	4.5
219.08037	50.6
220.05171	4.8
220.08676	9.1
221.06059	9.6
221.09604	2.8
222.06746	3.1
223.07408	3.4
225.09171	3.0
229.06441	29.1
230.07193	9.2
231.08029	8.3
232.08862	2.2
233.05995	5.3
233.09618	11.1
234.06784	13.1
235.07501	36.8
236.08293	23.3
237.05472	3.0
237.08989	5.3
243.08064	2.5
245.05969	7.3
246.06749	72.0
247.07532	64.8
248.08351	12.0
249.05508	6.3
249.09195	10.7
250.06203	5.7
250.09879	7.4
251.06973	6.5
251.10641	10.9
252.07655	2.1
253.08609	2.3
257.05933	21.6
258.06763	9.2
259.07523	12.6
260.08331	2.4
261.09097	97.8
262.06216	7.0
262.09668	5.8
263.07043	38.9
264.07770	21.3
265.08658	12.3
266.09308	2.6
269.08060	2.4
273.05396	6.4
274.06244	44.1
275.06998	38.8
276.07660	7.7
277.08615	27.3
278.09344	24.7
279.06857	4.1
279.10132	28.2
280.07242	3.1
280.10400	2.9
281.08075	3.5
284.10352	2.7
288.07813	3.6
289.08575	100.0
290.09250	23.9
291.06500	14.7
291.09546	3.6
292.07230	8.3
293.08212	4.6
293.11679	7.4
294.08734	8.6
295.09644	9.1
296.10242	3.4
297.11206	3.0
305.08032	6.2
306.08853	36.6
307.09619	98.2
308.10156	10.9
309.07571	4.0
309.11127	7.7
311.12848	10.8
321.11197	99.3
322.11484	7.0
324.09985	4.6
339.12231	73.2
340.12567	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	339.071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	4.7
56.96543	3.5
65.03932	4.0
67.01846	5.0
68.07539	3.6
68.99786	16.7
70.25198	8.9
70.25593	6.1
70.70951	3.8
81.03412	4.6
85.02904	5.8
95.04936	5.7
97.02882	13.2
107.04971	5.3
109.02869	11.5
111.00806	6.0
111.04434	6.5
119.04985	5.7
121.02889	5.0
122.03687	4.7
123.04409	17.4
125.02355	13.1
127.03915	7.1
131.04964	4.1
135.04391	6.5
137.02333	8.6
139.03894	100.0
140.04649	13.3
147.04413	13.1
149.02338	4.4
151.03979	19.9
151.04936	4.3
153.01830	12.6
153.28355	3.5
155.03395	69.9
163.03922	26.0
167.03365	8.3
168.04231	11.5
169.04988	4.9
171.02812	3.8
175.03909	4.2
177.05458	49.9
179.03400	10.7
181.04962	8.3
187.03876	12.8
189.05478	8.1
191.03484	5.4
199.04062	4.1
201.05315	6.0
203.03421	61.5
205.04999	30.2
215.03368	11.1
217.04994	5.4
219.02721	4.4
221.04517	5.0
229.04955	8.9
231.02798	5.6
233.04494	37.6
247.06021	13.2
249.04041	4.3
251.05608	17.6
257.04358	4.8
259.05905	5.0
275.05545	11.6
277.03537	4.5
285.03937	6.6
295.04474	16.9
303.05042	10.0
321.06046	57.2
339.07181	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
55.01882	0.5
57.03437	0.4
61.02935	0.5
62.42051	0.3
63.02342	0.3
67.05498	0.7
69.03436	1.8
69.07066	0.4
71.01348	0.4
71.04996	0.3
71.57998	0.5
73.02903	0.5
79.05484	1.4
81.03418	0.4
81.07048	0.3
85.02903	4.7
89.03914	6.2
91.05476	0.8
93.07055	0.3
95.01340	2.2
95.04954	0.7
95.08611	0.5
95.57118	0.3
97.02879	1.2
99.00808	0.5
107.04963	2.8
109.02881	0.4
110.06039	4.8
113.61193	0.3
117.03381	6.9
119.04909	0.7
119.08593	0.3
120.08063	0.4
122.06013	0.9
123.04436	0.7
127.03923	0.7
131.04890	0.3
135.04416	18.6
136.07581	3.7
137.05984	1.0
140.07097	1.0
141.01831	4.5
145.02846	12.8
145.05005	0.7
145.06529	0.3
147.04462	2.4
151.03842	0.5
154.08687	0.6
162.05464	0.5
163.03903	100.0
164.04236	1.5
164.07074	5.5
167.08296	0.3
175.03902	1.0
177.04010	0.3
177.05472	0.9
179.03476	0.4
181.05070	0.4
182.08141	4.8
190.04971	0.4
191.03416	0.4
193.05000	0.4
203.03323	2.4
207.06480	1.1
215.03528	0.3
219.02939	0.5
246.05261	1.1
261.03976	1.0
297.02481	0.4
297.07407	0.5
303.13321	0.4
321.14310	0.7
322.12616	0.4
339.07074	2.1
339.10995	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2689
Annotation	Melophlin I
Peak:m/z	Relative Intensity
55.05508	7.2
57.03456	2.2
57.07078	4.2
62.06091	100.0
67.05505	18.7
69.07073	5.0
69.47568	12.0
69.47983	4.4
71.08635	30.7
79.05497	16.3
81.03436	2.8
81.07054	20.5
83.04985	3.3
83.08603	3.9
84.45616	1.5
85.06491	2.1
91.05484	13.1
93.07046	19.1
95.04951	4.6
95.08614	14.7
97.06549	2.5
97.10208	1.9
98.06064	3.5
98.20702	2.7
99.08089	18.1
105.07019	7.3
107.04969	2.0
107.08633	8.4
109.10166	5.9
119.08597	5.9
121.06519	1.6
121.10147	5.2
126.36686	1.6
131.08585	2.5
133.10132	5.0
135.11705	6.0
139.23869	1.7
145.10147	2.8
147.11745	2.8
151.11197	9.8
161.13280	6.4
163.11214	3.0
179.14325	9.8
208.13242	2.2
217.19592	1.7
222.18555	21.2
226.12041	1.9
240.19592	29.8
241.19591	3.8
259.20590	2.9
277.21698	5.6
320.25842	94.0
321.24213	3.7
338.26837	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	339.0475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80274	21.6
69.03433	36.1
70.06602	29.0
70.93169	22.8
70.93485	35.7
72.04514	69.1
73.02914	20.0
74.06075	30.5
76.05130	65.8
85.02908	55.0
97.02893	44.3
116.08227	50.3
118.05023	70.0
119.01955	40.9
121.01667	61.2
133.01685	66.3
145.03471	35.6
147.03206	67.5
150.12140	19.4
151.02791	26.2
151.45013	20.0
157.01645	21.8
159.03172	40.0
160.07195	78.0
161.02992	19.7
163.58752	20.5
173.02930	44.6
175.02838	41.0
177.04254	29.5
177.09789	35.3
185.02950	28.1
218.10240	21.0
219.01729	70.5
231.01752	29.2
233.05118	28.1
237.02832	64.4
245.05118	24.1
266.00919	21.4
339.04816	100.0
339.08719	53.4
339.14838	23.7
339.18466	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2735
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
51.70771	1.2
52.40902	1.0
53.03936	2.4
55.01857	2.4
55.05511	45.6
57.03435	28.6
57.07075	6.0
58.54586	1.1
65.03925	4.7
67.05504	87.7
69.07066	51.2
69.49248	1.4
69.49567	11.0
71.04989	3.0
71.08617	2.8
79.05067	1.8
79.05493	26.4
81.07054	100.0
82.07410	1.9
83.04977	2.8
83.08150	1.7
83.08619	30.1
85.06519	2.3
85.10166	1.3
86.65678	1.1
91.05480	16.9
91.49210	1.2
93.07042	24.5
95.08603	71.9
96.08910	1.6
97.06552	5.8
97.10166	16.3
98.82171	1.1
105.07041	10.5
107.08596	13.4
109.10155	28.1
111.08062	3.7
111.11714	2.7
119.08573	9.7
121.10139	11.5
123.08069	1.9
123.11705	14.4
133.10117	9.9
134.36105	1.6
135.11682	7.1
137.13234	5.9
139.11104	1.9
147.11711	7.5
149.13248	4.4
151.11200	2.0
151.14825	2.1
161.13266	5.2
163.14825	3.6
175.14771	4.7
177.16431	1.5
185.96840	1.3
189.16312	1.9
245.22621	4.0
263.23657	6.0
290.75095	1.2
317.31326	1.3
337.27353	99.7
338.27634	6.3
343.56454	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01866	2.0
55.05508	45.5
57.03191	2.1
57.03434	27.2
57.07069	6.2
60.61513	1.5
65.03925	2.3
65.62048	1.5
67.05502	100.0
68.05794	1.4
69.07067	54.1
70.19598	2.9
70.20000	2.7
71.04990	2.2
71.08624	2.4
79.05068	2.0
79.05491	29.0
81.07052	92.2
82.07371	1.7
83.04961	2.9
83.08611	28.9
85.06531	2.0
89.34071	1.4
91.05476	20.8
93.07035	24.3
95.04995	2.8
95.08604	70.6
97.06520	5.4
97.10162	14.6
98.21413	2.0
99.08078	1.8
105.07028	11.6
107.08585	10.9
109.10152	28.0
111.08083	3.0
111.11697	2.4
117.06983	1.7
119.08575	9.1
121.10149	10.4
123.08092	1.8
123.11698	12.4
125.09621	1.6
133.10141	9.4
135.11716	7.0
137.09662	1.5
137.13252	5.2
147.11690	5.7
149.13255	4.5
151.11171	2.0
151.14742	2.0
161.13264	4.8
163.14769	2.5
175.14777	4.1
189.16400	1.6
245.22746	2.9
263.23682	7.2
337.27347	98.7
338.27734	4.7
351.34702	1.6
355.14938	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2687
Annotation	Melophlin H
Peak:m/z	Relative Intensity
51.09161	1.1
53.03916	1.2
54.60788	1.2
55.05512	21.6
56.05837	1.3
57.03430	4.3
57.07076	7.0
65.03926	1.9
67.05505	46.6
68.05827	3.7
68.84450	1.2
69.07070	21.2
69.66252	10.5
70.07398	1.6
71.04994	1.4
71.08627	4.6
71.60325	1.3
71.98333	1.2
76.04005	100.0
79.05496	16.0
80.05828	1.2
81.07056	61.8
82.07382	3.7
83.04958	2.1
83.08627	16.1
84.08923	1.8
85.10186	1.4
85.86137	1.2
91.05477	10.6
93.07045	17.5
94.07373	1.7
95.04993	2.0
95.08605	52.4
96.08938	3.7
97.06529	5.3
97.10163	9.0
98.20760	2.8
99.08074	1.6
100.70419	1.5
105.07012	7.4
106.07413	1.3
107.08598	10.2
109.06503	2.0
109.10153	25.1
111.08073	2.5
111.11719	2.6
119.08589	7.7
121.10150	13.2
123.08125	1.8
123.11716	10.8
133.10139	8.0
135.11702	8.6
137.13255	4.1
147.11690	5.6
147.99460	1.3
149.13274	4.9
151.14824	2.1
153.12767	1.1
155.14333	1.3
161.13261	7.5
163.14848	4.4
165.16408	2.6
167.40274	1.3
175.14822	4.6
179.17976	2.2
189.16391	3.0
204.50632	1.2
224.98250	1.6
245.22652	18.3
263.23721	18.1
292.26419	6.0
338.27283	24.0
339.28864	7.5
356.76099	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2734
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03934	3.4
55.01864	2.1
55.05512	44.8
57.03440	27.2
57.07071	5.9
65.03928	3.6
66.46035	1.1
67.05504	97.8
69.07069	55.7
69.07449	1.7
69.86312	6.4
70.07385	1.4
71.04977	1.2
71.08628	2.2
79.05063	1.9
79.05493	25.2
81.07058	96.9
82.07389	1.1
83.04964	2.2
83.08617	26.3
85.06539	2.6
85.10180	1.5
91.05479	15.1
92.16360	1.0
93.07046	24.9
95.04968	2.5
95.08608	65.0
96.08939	1.2
97.06506	5.4
97.10180	15.7
99.08076	2.3
105.07022	11.4
105.86665	1.0
107.08588	11.2
109.06484	1.9
109.09460	2.0
109.10153	23.3
111.08080	3.2
111.11718	2.4
119.08586	8.3
121.10136	9.4
123.11710	12.7
125.09612	1.8
125.48106	1.2
133.10133	9.3
135.11685	5.4
137.13239	4.3
139.11145	1.5
147.11723	5.9
149.13228	4.8
151.11186	1.1
151.14806	2.8
153.12682	1.1
161.13255	3.9
163.14830	4.1
175.14825	3.8
189.16331	1.4
189.45828	1.0
245.22685	1.6
263.23694	4.9
276.35843	1.3
307.93689	1.1
337.27362	100.0
338.27719	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	337.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13470	1.7
53.03930	4.4
55.05510	42.3
57.03194	2.2
57.03440	28.1
57.07062	7.6
64.53176	1.8
65.03929	4.9
67.05502	88.4
69.03423	2.5
69.07066	46.2
71.08621	3.1
79.05497	27.0
81.07053	91.6
83.04983	1.8
83.08614	24.9
85.06533	2.4
91.05484	16.6
93.07035	22.6
95.04978	2.8
95.08604	76.4
95.70338	1.7
97.06523	2.6
97.10154	15.1
105.07017	8.3
107.08604	13.1
109.06496	2.7
109.10151	34.1
111.08029	4.2
111.11671	3.0
119.08589	11.3
121.10146	15.4
123.11708	10.9
133.10146	8.9
135.11708	6.4
137.13252	5.3
147.11688	7.2
149.13321	4.4
151.14815	2.6
161.13257	3.7
163.14810	5.0
166.26109	2.2
175.14795	2.7
177.91020	1.8
229.55611	1.8
245.22681	3.6
255.49881	2.0
263.23737	8.0
337.27365	100.0
338.27524	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	337.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
55.05514	52.1
57.03441	28.3
57.07071	7.4
57.11394	1.4
57.41647	1.4
65.03931	3.6
67.05508	95.7
68.05824	1.9
69.07073	55.3
70.65016	5.2
71.04986	2.6
71.08627	2.5
79.05499	26.6
80.41232	1.5
81.07060	94.4
82.07401	2.2
83.04981	3.9
83.08623	28.3
85.06523	2.3
91.05483	17.7
93.07054	24.8
94.07402	1.7
95.04954	3.4
95.08609	64.9
95.85487	1.6
97.06538	5.8
97.10180	11.8
98.21342	1.9
99.08089	2.3
105.07024	11.0
107.08607	14.4
109.10154	26.1
111.08073	3.4
111.11745	4.4
119.08561	10.0
121.10136	9.4
123.11712	11.2
125.09646	2.2
133.10127	9.4
135.11673	4.8
135.40601	1.8
137.09663	2.2
137.13264	4.5
147.11687	5.9
149.13300	3.0
151.14886	2.7
161.13240	4.3
163.14890	3.3
175.14951	3.4
184.85251	1.6
218.33273	1.5
245.22710	2.3
259.97598	1.7
263.23679	2.9
281.09756	1.7
337.27374	100.0
338.27689	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	337.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65895	1.6
54.01322	1.5
55.05487	2.6
65.03945	8.7
69.03444	1.6
69.41495	10.4
69.41926	6.2
70.01025	1.9
70.30386	1.6
79.05507	2.9
81.07041	1.9
82.06566	2.9
92.04993	11.3
95.04981	2.1
96.08117	10.4
97.06544	1.8
110.48072	1.5
117.70072	1.9
122.06030	4.1
124.07558	8.2
126.09146	18.3
128.07050	3.2
138.09132	5.5
138.30464	1.8
148.03931	4.2
150.05501	4.4
151.49278	1.7
151.50555	1.7
152.07059	49.3
163.03874	2.6
164.03433	1.8
166.04996	100.0
167.05386	1.7
168.06528	1.8
176.03444	13.0
177.05511	2.3
182.04475	16.4
182.09744	2.0
184.10025	1.8
185.10695	2.1
187.08690	1.7
194.04482	13.3
199.08595	2.3
199.12355	1.8
200.10722	6.3
208.56128	1.7
209.10783	2.4
211.08620	5.9
212.09311	8.3
215.08197	2.8
225.06650	2.0
225.10237	4.4
227.08055	2.9
227.11723	8.8
228.10173	3.2
229.13368	2.5
233.09215	6.8
237.10303	1.9
239.08109	2.7
240.08958	8.2
241.09593	3.4
242.10419	3.1
245.09251	1.8
253.09769	3.8
255.11368	7.0
257.09192	6.0
257.12811	3.6
259.07251	4.1
261.12357	3.2
270.09979	3.3
271.10751	13.8
272.09000	2.4
273.12262	4.0
277.08792	2.1
283.10767	76.9
284.11069	4.3
289.11847	16.9
301.11826	57.4
302.12247	3.5
305.08255	3.4
319.12863	58.0
320.13153	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	337.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	8.3
70.50974	9.0
79.05481	4.2
81.07059	2.7
83.29621	2.1
92.05003	13.2
94.06585	2.3
96.08144	10.3
97.06546	3.5
117.61632	2.0
120.04500	4.1
122.06055	4.8
124.07587	7.7
126.09142	17.1
138.09131	5.6
140.07062	5.3
141.01991	2.2
148.03972	5.5
150.05469	2.7
152.07054	54.3
166.05002	100.0
171.09227	2.6
176.03413	14.6
182.04518	20.8
194.04475	15.4
198.07870	3.2
199.08646	6.4
199.12352	2.7
209.10707	4.0
211.08612	3.5
212.09441	3.8
227.08250	2.7
227.11800	6.4
228.10202	4.8
233.09251	6.3
240.08943	7.7
241.09743	5.0
253.09717	8.0
255.11296	10.0
257.09201	4.3
257.12875	5.2
259.07141	6.3
261.12299	5.7
271.10751	17.9
273.12485	5.1
283.10757	78.3
284.11349	3.5
289.11841	14.1
293.20395	2.9
301.11838	71.5
319.12878	67.4
319.16641	3.0
337.13818	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	337.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.1
55.39399	0.6
56.05025	2.6
57.03428	0.7
67.05493	3.1
69.03423	1.4
69.07054	2.0
70.14771	3.2
79.05492	3.2
81.07046	3.0
81.96793	0.9
83.04945	1.3
84.04503	36.9
85.06529	1.0
85.07664	6.8
87.00833	0.7
91.05478	1.9
93.07059	1.5
95.04959	1.5
95.08593	1.8
97.06541	1.0
103.05485	1.5
105.07026	100.0
106.07332	1.4
107.04903	1.4
107.08576	2.5
109.10162	0.9
111.04403	0.8
119.04893	1.4
119.08572	1.3
121.02872	2.4
121.10149	1.3
122.09666	21.9
124.03965	1.0
130.04997	21.3
133.10147	1.1
135.04411	1.6
135.07990	0.7
137.05974	1.7
137.09575	1.3
145.02826	1.6
152.03418	5.4
161.09685	1.0
163.03918	5.5
167.10504	0.8
175.80721	0.7
181.04976	2.5
187.12282	1.7
188.10698	71.8
189.11035	1.5
191.03427	2.5
198.03987	5.5
205.13388	7.3
209.04456	0.8
233.12808	4.5
234.11241	1.1
251.13913	1.3
273.12247	1.0
277.11826	1.3
279.06479	1.8
281.08057	9.2
282.08606	0.7
291.13455	6.0
294.05136	1.0
301.11853	2.5
301.21738	1.0
309.07556	26.2
309.11096	1.6
310.07919	2.0
319.12830	3.9
337.07059	28.4
337.13736	2.9
337.20282	1.1
337.24146	0.9
338.07462	2.8
345.60986	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47789	1.9
65.03938	13.4
66.44622	2.2
70.64413	4.7
70.64780	4.6
79.05475	3.3
81.07056	3.5
81.70738	2.1
82.20487	2.0
82.63717	1.8
83.34004	2.2
83.56750	1.9
88.78365	1.9
91.78304	1.9
92.05009	8.7
96.08138	9.4
97.06504	2.9
110.06020	2.0
119.76222	1.9
122.06017	5.3
124.07595	6.8
126.09138	16.4
138.09146	7.7
148.03920	2.9
150.05487	3.0
152.07074	58.2
164.03429	2.3
166.05006	100.0
167.05276	2.9
173.07191	2.3
174.05565	2.3
176.03404	15.4
182.04445	18.9
194.04527	10.6
198.07863	3.3
199.08716	3.3
200.10751	6.4
212.09410	8.6
215.08229	2.1
225.10210	3.2
227.11783	8.6
228.10185	6.2
229.13408	4.1
233.09241	4.2
240.08966	6.2
241.09642	3.4
245.09262	2.9
253.09692	6.6
253.38345	2.5
255.11342	8.7
257.09216	7.2
259.07086	3.9
261.12335	3.1
270.09995	2.5
271.10776	17.4
272.09174	3.3
273.08664	3.1
273.12433	4.9
283.10791	77.5
284.11166	3.3
288.10953	3.4
289.11758	17.8
301.11853	66.8
302.12683	2.6
319.12909	63.5
319.16669	3.9
337.13263	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89047	2.8
60.42731	2.6
65.03934	5.6
70.64935	10.0
79.05502	4.5
82.06568	5.5
92.04999	13.2
96.08152	8.1
118.60272	2.9
122.06063	4.2
124.07611	9.6
126.09135	18.2
128.07097	8.0
138.05544	4.6
138.09163	4.6
150.05455	2.9
152.07082	51.2
166.05005	100.0
176.03410	16.5
182.04482	23.4
194.04468	13.4
198.07890	4.5
199.08656	6.1
200.10747	4.1
211.08635	4.6
212.09435	8.7
215.08154	3.2
225.10403	3.4
227.11855	8.3
228.10120	5.5
233.09244	6.7
240.08937	4.2
255.11290	10.8
257.09293	6.7
257.12857	5.4
259.07230	7.1
270.09976	5.3
271.10745	17.6
273.08661	3.7
273.12274	5.3
283.10745	79.2
288.10861	3.4
289.11795	16.5
301.11835	63.1
302.12219	4.9
303.48083	2.8
319.12860	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1279
Annotation	4,5-Dihydromelampodin B
Peak:m/z	Relative Intensity
53.03947	2.5
55.01872	12.4
55.05504	4.6
56.42255	1.7
57.03437	9.6
57.07072	18.4
60.57361	1.5
61.02925	4.6
65.03938	1.8
67.05499	13.8
68.99788	7.0
69.03415	7.0
69.07060	4.9
71.01340	1.7
71.04990	1.7
71.15503	3.9
73.02920	2.1
73.70592	1.5
74.46813	1.7
79.05484	8.5
81.03400	6.5
81.07056	12.7
83.04987	2.9
85.02917	14.8
85.06548	18.7
91.05488	8.1
93.07046	12.1
95.04964	6.0
95.08609	8.4
97.02895	7.0
97.06540	2.3
99.04456	1.6
104.94659	1.6
105.07025	9.4
107.04968	5.8
107.08580	6.0
109.02888	4.6
109.06507	5.8
109.10155	3.6
111.04434	2.0
115.05445	3.9
117.07027	4.0
119.08587	6.6
121.02866	6.8
121.06504	4.9
121.10155	4.7
122.03647	1.9
123.04443	6.9
123.08059	2.5
123.11702	2.5
127.07570	4.6
128.06219	3.8
129.07028	8.5
131.04922	3.3
131.08574	5.9
133.06546	2.5
133.10130	4.9
135.04443	5.2
135.08012	5.9
135.11653	2.2
137.05038	1.9
137.05907	9.5
137.09612	20.8
141.07004	2.9
142.07820	2.6
143.08560	2.4
145.06499	7.0
145.10117	3.8
147.04384	9.0
147.08054	2.6
149.06009	7.9
149.09633	3.1
151.03896	10.2
155.08516	2.0
157.06467	4.3
157.10135	2.3
158.07228	2.2
159.04439	1.9
159.08055	6.3
160.05301	2.8
161.05998	10.8
161.09630	3.3
162.06795	2.4
163.03934	10.3
163.07539	11.3
165.01776	2.8
165.05592	2.5
165.07033	2.6
167.03415	2.8
169.06519	2.8
169.78830	1.6
170.07248	2.5
171.08020	2.7
173.06033	6.5
173.09607	3.6
173.13240	1.7
174.06717	4.1
175.03963	5.4
175.07567	7.1
175.11226	2.1
175.14833	2.1
176.04698	3.3
177.05467	10.4
177.09137	6.0
178.07785	3.4
179.03354	1.8
182.15392	1.6
183.02876	2.6
183.08040	2.3
185.06001	5.3
185.09578	3.2
186.06813	2.7
187.03850	2.7
187.07544	12.9
188.04703	1.9
189.05487	6.9
189.07550	1.8
189.09096	11.1
190.06198	2.1
191.03395	5.6
191.07031	6.4
191.14319	1.7
192.04213	2.9
192.07852	2.2
193.04985	2.8
193.08560	3.4
195.08224	1.8
197.09612	3.2
198.06683	1.9
199.07549	6.3
200.04596	2.1
200.08336	2.8
201.05501	11.6
201.09105	5.3
202.06248	3.1
202.10078	1.8
203.03444	1.9
203.07005	9.5
203.10733	4.2
205.04897	3.2
205.06723	3.2
205.08591	58.1
206.07275	5.3
207.06392	2.5
210.14749	1.8
211.07545	4.9
211.09637	6.7
213.05461	7.8
213.09131	4.2
214.06273	5.4
215.03506	2.6
215.07019	9.0
215.10629	4.1
216.07727	1.9
217.04967	4.2
217.06769	2.8
217.08591	17.4
219.06467	4.0
219.10139	4.0
221.04453	2.0
223.09654	64.2
225.09145	3.1
227.07022	4.3
227.10631	3.5
229.05106	2.7
229.08606	30.4
229.10687	3.0
230.09166	3.3
231.06508	8.7
231.10153	14.5
233.05981	1.9
233.08122	2.3
234.06766	10.6
235.07654	2.5
235.09647	5.7
241.08575	3.6
242.05733	3.6
242.09363	5.0
243.10146	9.4
245.08174	4.1
245.11743	2.8
247.09608	15.3
248.10338	3.2
249.07413	3.5
249.11275	3.3
253.08525	3.1
255.10178	9.9
257.08090	5.3
259.09634	15.5
261.05392	3.2
261.11267	2.2
262.06207	10.3
263.06824	2.9
263.09326	2.9
271.09647	51.9
273.05481	3.9
273.11227	11.3
275.09180	3.2
277.07959	8.2
277.11096	14.9
279.06628	1.9
283.09579	11.3
289.10709	100.0
290.05725	16.2
290.11020	5.2
291.06113	1.5
291.12241	4.9
294.08951	2.1
301.10706	26.8
301.14059	2.1
305.08133	25.4
307.06259	3.3
307.11880	13.2
319.11932	27.0
322.08359	3.8
326.17126	1.9
337.10403	16.6
337.12930	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1279
Annotation	4,5-Dihydromelampodin B
Peak:m/z	Relative Intensity
50.01079	1.2
50.01305	1.0
53.03935	1.5
53.78682	1.0
55.01873	13.8
55.05503	4.2
57.03430	8.7
57.07073	21.3
61.02933	5.4
65.03941	2.4
67.05502	19.2
68.99776	5.4
69.03411	6.2
69.07066	4.4
69.53598	3.4
69.54007	6.1
71.01352	2.6
71.04998	3.4
75.99214	1.2
79.05489	8.7
81.03414	7.0
81.07047	11.4
83.04952	5.4
85.02895	14.5
85.06538	22.0
87.04469	1.4
91.05479	7.3
91.88592	1.0
93.07042	11.1
95.04971	6.6
95.08600	16.7
97.02882	5.5
97.06523	1.6
99.04490	1.2
103.03938	2.5
103.05478	2.2
105.03436	1.5
105.07043	8.6
107.04951	3.9
107.08590	5.4
109.02880	3.5
109.06499	7.8
109.10132	7.2
111.08093	2.0
115.05444	4.0
117.06998	3.1
119.04927	2.8
119.08586	7.1
121.02872	4.8
121.06522	5.1
121.10130	6.0
123.04435	6.0
123.08086	4.4
123.11706	1.4
124.07583	2.3
125.02309	1.5
127.03957	1.8
127.07563	3.3
127.11182	1.9
128.06250	2.8
129.07002	3.4
131.08533	6.7
133.02858	2.0
133.06514	4.7
133.10155	3.3
135.04425	4.2
135.08046	6.2
135.11729	3.1
136.06201	1.9
137.05888	3.0
137.09602	7.0
139.03911	1.6
139.11169	1.9
141.06963	2.9
143.08571	4.9
145.06499	5.6
145.10150	4.6
147.04388	9.3
147.08076	2.8
147.11674	2.4
149.02310	2.5
149.05943	5.7
149.09616	3.4
151.03871	5.4
153.05478	1.3
153.06975	1.2
153.08958	1.2
154.07767	1.6
155.10654	1.7
157.06496	3.6
157.10114	2.5
158.07274	1.8
159.04396	2.5
159.08012	7.9
159.11671	2.1
160.05157	2.7
161.02425	1.2
161.05949	9.7
161.09631	4.0
161.13269	1.2
162.06731	1.7
163.03896	14.0
163.07527	8.6
163.11159	1.2
165.01865	2.2
165.05557	2.8
165.06966	1.4
167.03372	1.4
167.08630	1.2
167.94142	1.3
169.06497	2.2
169.10069	1.5
171.08067	3.3
171.11650	1.4
172.05170	2.1
173.05956	7.6
173.09598	3.3
175.03918	5.6
175.07547	6.5
175.11237	2.1
176.04732	2.7
177.05476	7.8
177.09048	8.1
179.03372	2.0
181.06371	1.2
182.07246	1.5
183.02899	2.1
183.08148	1.8
185.05997	5.1
185.09631	3.5
187.03954	3.0
187.07500	12.1
189.05521	7.8
189.09064	9.9
190.06239	2.7
191.03398	7.3
191.07080	5.3
192.04205	3.4
192.07747	2.7
193.04967	3.6
193.08582	3.8
197.09619	2.8
198.06738	3.4
199.07555	4.0
200.04713	3.5
200.08450	1.6
201.05453	12.6
201.09091	8.3
202.06105	1.8
203.03308	2.0
203.07060	9.9
203.10628	6.7
205.05157	5.8
205.08582	61.1
206.08870	2.0
207.06442	1.9
211.07552	3.8
211.09694	6.2
212.08257	1.7
213.05484	4.2
213.09082	5.0
214.06271	8.0
215.07022	9.6
215.10623	2.6
216.07762	2.3
217.04959	5.7
217.08597	9.2
218.05609	1.5
219.06544	4.6
219.10112	2.3
221.08167	1.9
223.09650	68.5
224.09981	1.6
225.09128	2.7
227.07040	6.7
227.10704	3.4
229.05051	1.7
229.08592	30.0
230.09192	2.4
231.06573	7.7
231.10127	11.4
233.08159	3.5
234.06815	3.2
235.05971	3.3
235.09634	5.9
240.07874	1.7
241.08673	3.9
242.05821	1.5
242.09441	2.1
243.10146	9.1
245.08150	4.2
245.11684	4.0
247.09634	21.7
249.07620	5.2
249.11264	6.0
251.09311	1.5
253.08813	2.7
255.10176	10.7
257.08124	5.0
259.09668	17.6
261.11307	5.2
262.06207	2.1
263.09155	2.9
266.09515	1.3
271.09631	53.7
272.10052	2.7
273.11237	16.2
275.09210	6.5
277.08316	1.6
277.10791	20.8
283.09613	13.0
289.10684	100.0
290.05719	3.7
290.11029	3.9
291.12311	5.9
301.10696	33.4
301.21628	2.3
302.10754	1.3
305.08121	4.1
307.11777	13.9
319.11783	34.1
319.22583	2.7
320.12146	1.5
322.08466	1.8
337.13138	21.4
337.23688	3.0
338.12842	1.4
355.22180	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52912	6.0
55.01868	12.1
61.02925	15.7
66.77863	5.6
69.03409	7.5
69.50079	6.2
71.01360	8.0
71.20708	15.3
74.78345	6.5
85.02901	9.0
93.07014	7.4
95.04990	8.5
95.08595	8.8
96.86775	6.2
97.06557	7.0
98.97607	9.2
101.02377	10.8
103.05457	25.7
105.07030	12.6
109.02863	6.2
115.05456	14.0
117.07003	13.4
118.04172	13.5
122.06025	14.0
128.06288	8.9
129.06956	6.9
130.04131	7.2
131.04929	100.0
133.06485	13.5
136.07571	11.4
137.02431	6.5
138.05490	6.3
140.07097	10.5
141.06989	14.4
145.06462	8.4
146.03648	16.9
146.06041	17.8
152.07062	12.3
155.04984	6.4
157.02867	11.5
157.06479	15.9
159.04408	18.6
159.08090	6.8
161.05978	26.0
163.03909	14.7
164.07086	10.0
165.58119	6.0
166.04968	14.3
167.86362	5.9
169.06458	23.2
171.04343	9.6
173.05974	13.2
174.03162	8.3
175.03816	11.7
176.04704	22.9
177.05457	15.7
179.03360	31.6
185.05992	9.5
187.03871	52.8
187.07523	12.2
188.04649	15.8
189.01880	18.3
189.05467	22.7
191.07019	83.8
193.08630	10.3
196.05338	7.6
197.05974	22.4
200.04678	9.6
201.05316	8.2
203.03348	8.9
203.06975	13.1
204.04221	49.1
205.05035	16.2
205.08659	12.3
213.05429	8.4
215.07069	17.8
217.05003	29.3
218.05745	13.2
219.06537	82.9
229.08725	9.6
231.02968	11.7
233.08202	11.9
235.06071	13.4
241.09756	7.0
243.06456	21.0
245.04417	36.0
245.08206	24.6
247.09717	17.0
249.07524	9.7
257.08090	13.3
260.06787	27.0
262.04761	27.7
263.05472	28.8
273.07526	16.5
275.09119	61.2
277.07138	91.0
283.10794	8.8
287.05441	9.2
291.08572	8.4
301.07043	14.7
301.11823	17.9
319.08173	23.3
319.13004	29.0
337.09113	23.3
337.13916	19.5
355.08746	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	337.0893
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
60.37069	7.2
68.05029	7.4
69.67932	50.1
72.04524	12.6
74.48792	6.6
79.83109	7.7
101.00871	8.2
118.05038	9.4
119.01916	15.1
126.56103	6.7
131.01900	23.7
137.03043	8.4
145.03470	20.8
157.03476	13.8
160.07190	15.1
163.04681	8.3
167.64018	8.3
173.03009	24.6
205.43381	6.9
216.08659	7.0
217.02000	33.4
229.01923	14.5
235.03073	12.6
247.03072	10.6
250.92017	28.5
274.35489	7.5
277.10934	6.1
319.43774	7.5
336.75610	6.8
337.08960	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58083	9.2
69.39285	100.0
85.02924	9.8
91.65198	10.1
98.21464	16.2
101.00911	11.1
234.80351	10.1
337.08868	81.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05046	2.8
56.96569	20.5
61.02578	2.4
69.03454	2.4
70.06573	4.2
70.40250	10.2
72.04499	5.3
76.05120	3.1
77.00871	4.4
82.13914	2.3
84.08128	4.5
85.02905	4.6
93.73476	2.1
97.02856	2.8
98.97581	10.4
101.00880	19.5
101.22305	2.4
103.02436	12.2
110.01214	2.4
111.27818	2.2
113.00875	9.1
116.98621	8.1
117.25896	2.5
118.05012	4.9
119.00141	2.5
119.01908	59.1
119.02703	4.5
120.02026	3.9
120.99975	2.1
121.01662	6.7
121.03461	12.9
127.02438	10.2
127.79616	2.5
128.98604	4.0
129.04034	2.4
131.01895	51.2
133.01624	3.6
133.03447	6.8
134.99733	2.9
136.07526	3.8
137.02931	9.8
139.02472	2.7
139.03856	3.1
142.03416	2.6
143.01917	7.9
144.98044	4.1
145.03450	100.0
146.03632	4.5
146.99634	6.0
147.01361	4.3
147.03227	4.3
149.02959	11.7
153.01822	3.2
154.03534	2.8
155.01889	21.6
157.03458	50.3
159.04991	3.4
160.07146	5.9
161.01215	3.3
161.02936	13.1
162.99153	11.2
163.02701	3.2
163.04529	16.8
167.01871	4.0
168.05115	2.8
171.01355	9.8
171.05006	3.3
173.02930	57.8
174.03036	4.0
175.02625	2.9
175.04579	21.1
177.09912	3.0
179.02434	2.4
183.01381	7.4
185.02943	13.1
189.02423	15.4
191.04016	5.5
193.00218	7.6
199.00948	7.7
201.02437	7.1
203.03981	10.4
205.00256	8.8
207.01730	2.9
216.08614	3.1
216.99892	5.4
217.01941	96.4
218.02158	5.7
221.05113	13.8
223.01228	15.7
229.01926	44.9
235.02972	56.1
235.06532	3.7
236.03181	3.5
239.06120	13.6
241.02318	2.7
245.05124	3.0
247.02934	18.8
247.06689	4.9
251.04352	6.1
253.04062	4.5
258.04587	4.6
265.04221	4.8
265.07565	7.0
269.05380	8.0
275.06094	13.6
277.02075	4.2
277.07617	8.0
293.07117	5.8
295.03412	4.8
295.08691	10.7
296.08704	3.4
319.05017	10.7
337.05441	6.2
337.08862	10.5
337.17172	5.5
355.09515	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	337.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10192	1.8
56.96304	4.5
56.96566	70.6
57.03441	2.4
69.03417	4.1
69.77941	13.2
70.98111	10.9
74.97616	3.4
84.96031	8.2
85.02888	6.4
86.94753	1.8
88.99155	10.0
97.02918	4.9
98.21016	5.4
98.97583	100.0
107.00162	3.2
110.97577	24.9
112.99130	29.1
115.00711	2.5
116.97816	4.1
116.98615	64.1
124.95472	5.1
127.03941	2.1
128.98601	34.5
131.00166	47.1
133.01727	5.6
134.99663	18.2
140.98557	4.2
142.96524	5.6
143.00188	7.5
145.01707	2.8
146.99631	31.3
149.01227	29.6
151.02832	5.0
152.98622	5.5
158.99654	19.2
160.97612	3.3
161.01218	9.0
162.99162	2.6
163.02739	3.4
163.04196	2.0
165.00720	17.5
167.02242	3.2
169.04250	2.3
170.96049	5.1
170.99657	9.3
173.01201	10.1
174.99156	4.2
175.02760	3.8
177.00722	19.4
178.04956	3.7
183.01733	2.0
184.97643	2.2
187.02777	2.8
188.97069	19.6
189.00705	15.7
190.98584	2.5
191.02240	9.7
193.03860	6.6
194.16045	2.3
201.00706	4.7
202.98628	9.6
205.00175	3.5
206.98163	12.9
207.01767	9.2
211.04843	4.3
217.00233	4.6
217.03784	5.1
219.01746	33.6
220.99681	6.7
223.01312	4.5
230.98105	16.4
235.01280	5.2
235.04887	4.4
237.02805	67.9
244.99696	5.5
248.99222	6.4
255.03780	6.1
263.00711	21.0
277.02356	6.2
277.05914	17.4
281.01743	6.4
281.05243	4.4
293.05350	5.8
295.03741	4.1
295.06964	66.2
295.10342	3.4
296.07159	2.4
305.01941	2.8
337.08072	29.6
355.09143	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	337.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
62.11443	1.3
65.03930	3.6
67.01852	4.7
68.95789	1.4
68.99784	19.5
69.03429	2.6
70.42366	1.5
75.56833	1.2
81.03410	3.7
85.02888	2.4
93.03409	1.8
95.01318	3.6
97.02869	5.8
98.20705	2.6
106.17435	1.3
107.04952	2.6
109.02899	11.7
109.10188	1.4
111.04430	9.6
113.02380	3.9
115.05430	3.5
120.04038	1.7
120.08075	4.0
121.02846	5.4
121.08428	2.0
123.00760	4.3
123.73847	1.3
125.02345	2.5
127.03910	6.6
128.07057	1.8
129.07413	3.6
137.02328	8.9
138.27490	1.5
139.03902	64.6
141.01831	3.2
143.03389	2.1
143.04872	2.5
147.04398	2.8
149.02357	17.1
151.03882	3.4
153.01823	98.5
155.03421	11.1
155.04666	2.3
161.06073	1.9
163.03889	5.5
165.00523	2.9
165.01825	34.7
166.02536	2.6
167.03365	8.1
169.01320	100.0
171.03041	1.8
171.04378	7.6
175.03902	3.5
177.01782	3.1
177.05446	1.8
179.03380	3.6
183.02943	9.1
185.00815	4.1
187.02405	1.5
189.05409	5.9
191.03421	3.7
193.01280	4.3
195.02892	23.1
199.03889	12.7
203.03366	6.4
211.02370	15.5
217.04909	10.6
219.02884	9.2
227.03426	7.2
231.02917	2.6
245.04416	18.8
254.43068	1.6
255.02930	5.1
255.11258	1.5
259.02280	1.9
263.05518	18.4
273.03940	28.6
273.12201	1.9
274.04257	1.7
277.03543	1.7
291.04980	39.1
301.03384	14.4
319.04456	19.8
319.12796	2.6
337.05426	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	337.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05046	2.8
56.96569	20.5
61.02578	2.4
69.03454	2.4
70.06573	4.2
70.40250	10.2
72.04499	5.3
76.05120	3.1
77.00871	4.4
82.13914	2.3
84.08128	4.5
85.02905	4.6
93.73476	2.1
97.02856	2.8
98.97581	10.4
101.00880	19.5
101.22305	2.4
103.02436	12.2
110.01214	2.4
111.27818	2.2
113.00875	9.1
116.98621	8.1
117.25896	2.5
118.05012	4.9
119.00141	2.5
119.01908	59.1
119.02703	4.5
120.02026	3.9
120.99975	2.1
121.01662	6.7
121.03461	12.9
127.02438	10.2
127.79616	2.5
128.98604	4.0
129.04034	2.4
131.01895	51.2
133.01624	3.6
133.03447	6.8
134.99733	2.9
136.07526	3.8
137.02931	9.8
139.02472	2.7
139.03856	3.1
142.03416	2.6
143.01917	7.9
144.98044	4.1
145.03450	100.0
146.03632	4.5
146.99634	6.0
147.01361	4.3
147.03227	4.3
149.02959	11.7
153.01822	3.2
154.03534	2.8
155.01889	21.6
157.03458	50.3
159.04991	3.4
160.07146	5.9
161.01215	3.3
161.02936	13.1
162.99153	11.2
163.02701	3.2
163.04529	16.8
167.01871	4.0
168.05115	2.8
171.01355	9.8
171.05006	3.3
173.02930	57.8
174.03036	4.0
175.02625	2.9
175.04579	21.1
177.09912	3.0
179.02434	2.4
183.01381	7.4
185.02943	13.1
189.02423	15.4
191.04016	5.5
193.00218	7.6
199.00948	7.7
201.02437	7.1
203.03981	10.4
205.00256	8.8
207.01730	2.9
216.08614	3.1
216.99892	5.4
217.01941	96.4
218.02158	5.7
221.05113	13.8
223.01228	15.7
229.01926	44.9
235.02972	56.1
235.06532	3.7
236.03181	3.5
239.06120	13.6
241.02318	2.7
245.05124	3.0
247.02934	18.8
247.06689	4.9
251.04352	6.1
253.04062	4.5
258.04587	4.6
265.04221	4.8
265.07565	7.0
269.05380	8.0
275.06094	13.6
277.02075	4.2
277.07617	8.0
293.07117	5.8
295.03412	4.8
295.08691	10.7
296.08704	3.4
319.05017	10.7
337.05441	6.2
337.08862	10.5
337.17172	5.5
355.09515	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	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03931	3.2
53.30602	1.2
55.01860	1.2
55.05266	1.6
55.05511	23.4
56.79123	1.0
57.03438	26.9
57.07066	2.1
65.03925	4.6
67.05505	100.0
69.07072	19.0
69.85693	6.7
71.04980	2.2
71.08585	2.0
79.05495	49.5
81.07057	84.4
83.04984	1.8
83.08620	11.9
85.06539	2.0
91.05484	24.5
93.07044	56.8
95.04961	6.2
95.08607	65.5
97.06509	3.7
97.10151	2.5
99.08104	1.6
105.04489	1.4
105.07036	14.2
107.08594	24.1
108.77837	1.1
109.06530	2.7
109.10161	25.7
111.08087	2.3
113.69322	1.1
117.06989	5.0
119.08588	10.3
121.10136	22.1
123.08041	2.1
123.11736	8.2
127.31628	1.0
131.07716	1.2
131.08543	7.4
133.10138	8.6
135.11676	13.3
137.09647	1.4
137.13255	3.1
145.10126	6.2
147.11674	4.6
149.13300	7.0
159.11713	3.9
161.13243	2.9
163.14801	3.0
165.12796	2.2
173.13248	4.4
175.14857	1.9
187.14735	1.2
201.16446	1.6
201.23590	1.3
243.21049	3.2
261.22147	5.9
316.58371	1.1
317.24930	1.7
335.25806	82.1
336.25977	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	335.2578
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.32768	1.3
53.03935	1.9
55.05514	25.0
55.64493	1.3
57.03189	2.3
57.03436	28.2
57.07082	2.9
65.03918	5.2
67.05504	100.0
69.07069	24.0
71.04977	2.7
71.08613	2.4
79.05066	3.0
79.05493	52.7
81.07053	99.2
83.04985	2.6
83.08623	8.8
85.10130	1.8
89.06007	5.0
91.05479	27.1
93.07037	60.1
95.04966	6.3
95.08604	75.3
97.06502	2.9
97.10144	3.6
98.20740	3.2
99.08092	2.6
105.07019	17.0
107.08589	28.8
109.06471	2.8
109.10152	29.2
111.08063	2.7
117.07001	4.9
119.08587	10.9
121.10146	25.4
123.11722	12.5
131.08563	9.3
133.10098	11.1
135.11667	16.1
137.09666	2.0
137.13264	3.3
145.10130	6.5
147.11676	6.2
149.13278	10.0
150.67134	1.7
151.11174	1.5
159.11691	4.7
161.13269	5.8
163.14828	4.8
173.13232	6.6
175.14816	2.9
185.13179	1.7
187.14847	3.0
229.21324	1.8
243.21037	5.1
261.22241	11.2
313.46170	1.5
317.24600	2.1
335.25778	83.6
336.26129	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03926	3.9
55.01847	1.6
55.05513	21.8
56.96572	12.9
57.03196	1.8
57.03439	23.8
57.07052	3.3
63.33673	1.2
64.48503	1.4
65.03925	4.4
67.05507	100.0
69.06725	2.0
69.07066	23.6
71.04983	1.2
71.95250	1.5
79.05494	54.6
81.07059	96.9
83.04967	2.7
83.08630	9.5
85.06524	3.4
87.63826	1.3
91.04978	1.7
91.05487	26.2
93.07048	60.3
95.04967	8.4
95.08605	77.8
97.06503	3.3
97.10142	4.3
99.08089	2.0
105.07040	15.5
107.07878	1.7
107.08591	30.2
109.06467	4.0
109.09452	2.3
109.10162	30.2
111.08067	1.7
114.88868	1.4
117.06992	5.4
119.08585	14.7
121.10153	22.0
123.11713	10.2
127.68230	1.3
128.23651	1.5
128.98634	6.4
129.06956	1.3
131.00018	2.1
131.08559	10.3
133.10156	12.3
135.11713	16.6
137.13237	3.2
140.98480	2.7
142.12105	1.4
143.00047	2.6
145.10112	9.2
146.99615	9.1
147.11676	6.1
149.13234	8.8
157.01537	2.0
159.11674	5.5
161.13245	4.8
163.14806	4.7
165.12746	2.6
167.00040	2.3
169.01675	1.6
173.13298	4.6
174.98933	2.3
175.14833	2.5
177.16348	3.2
178.06316	1.4
185.04929	1.5
187.14836	2.6
189.00510	2.2
215.10776	1.5
243.21071	6.9
261.22150	10.0
317.17868	13.5
317.24609	3.9
327.19360	1.5
335.15305	2.6
335.19067	41.3
335.25766	78.3
336.19086	2.0
336.25754	1.7
353.19977	12.0
354.19971	1.5
358.20541	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2577
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.95500	1.5
53.03931	6.2
55.05508	27.3
57.03436	25.3
57.07069	1.8
65.03947	3.7
67.05502	100.0
69.06721	1.9
69.07066	22.5
69.39397	1.3
69.48197	5.0
69.48627	7.7
71.04990	3.2
79.05489	47.0
79.66994	1.3
81.03397	1.9
81.07055	79.4
82.19012	1.3
83.04965	2.2
83.08630	9.6
85.06508	2.9
91.04964	2.3
91.05482	26.2
93.07040	52.1
95.04976	7.5
95.08602	70.3
97.06548	2.9
97.10168	3.5
99.08068	2.3
104.16245	1.5
105.07025	12.9
107.08586	20.3
109.06509	3.5
109.10145	21.1
117.06991	4.3
119.08555	9.6
121.10130	15.4
123.08030	2.7
123.11693	5.1
131.08548	7.7
133.10133	5.8
135.11714	9.0
137.54518	1.7
145.10091	4.0
147.11623	3.8
149.13239	4.4
159.11676	4.1
161.13222	4.7
163.14841	2.1
175.14876	1.6
175.73860	1.3
175.77592	1.5
187.14496	1.4
261.22260	2.5
266.39294	1.5
276.70645	1.3
335.22040	2.8
335.25769	70.1
336.25961	1.9
355.32040	1.7
358.21646	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2578
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03942	3.1
55.01857	1.4
55.05509	25.7
57.03439	26.6
57.07066	3.6
65.03951	5.7
67.05505	100.0
69.07066	21.3
69.39303	10.4
70.73741	1.1
71.04966	1.3
71.08607	1.7
79.05489	54.8
81.07056	99.9
82.07394	1.1
83.04974	3.0
83.08611	10.1
85.06557	2.1
91.05479	31.3
93.07044	62.9
95.04958	7.6
95.08604	76.8
96.08949	1.4
97.06527	4.6
97.10163	5.6
99.08071	1.4
105.04504	1.8
105.07036	19.6
107.08592	31.7
109.06511	6.6
109.10157	30.3
111.08099	2.0
115.05427	1.4
117.07024	7.7
119.08575	18.3
121.10137	26.9
123.08070	1.9
123.11705	10.5
129.06982	1.3
131.08559	11.2
133.10121	13.9
135.11685	15.7
137.09633	1.6
137.13246	3.8
139.11258	1.3
145.10117	9.4
147.11697	9.3
149.13260	10.8
159.11725	6.6
161.13313	8.6
163.14807	3.6
165.12723	7.0
173.13275	5.7
175.14777	2.2
177.16362	2.0
187.14819	3.1
207.73663	1.6
243.21101	8.3
261.22137	10.2
317.24686	5.6
335.25800	89.3
336.26242	2.9
353.15952	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.1
54.54031	0.9
55.05511	15.8
55.87559	0.9
57.03435	14.7
57.07064	1.5
65.03935	1.6
67.05503	50.4
69.07068	13.5
71.04979	2.0
72.04547	1.0
73.53825	0.8
79.05492	26.9
81.07057	46.7
83.04982	1.3
83.08609	5.4
85.06551	1.0
86.15405	1.1
91.05482	14.6
93.07043	27.8
95.04960	4.1
95.08604	39.2
97.06527	1.3
97.10177	1.6
99.08074	1.6
105.07012	8.3
107.08593	12.6
109.06528	1.4
109.10150	14.4
117.07024	1.6
119.08585	6.8
121.10140	12.6
123.08072	1.0
123.11720	3.6
131.08583	4.9
133.10106	3.6
134.20222	1.1
135.11702	6.5
137.13292	1.6
145.10130	2.2
147.11726	2.5
149.13213	2.3
159.11591	2.2
161.13287	1.9
165.12756	1.6
173.13258	1.0
195.09860	1.5
221.11407	1.2
243.21040	1.2
261.22174	1.2
287.07755	1.3
290.06442	1.0
335.21887	100.0
335.25818	36.4
336.22150	5.5
336.25684	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2191
Annotation	13,14-dihydro-15-keto Prostaglandin J2
Peak:m/z	Relative Intensity
54.53150	0.6
55.05503	0.8
56.96574	0.8
57.03433	0.7
67.05496	1.7
69.07065	0.9
69.99919	1.4
70.00331	2.6
71.86443	0.6
79.05492	1.2
81.07050	2.3
81.49554	0.6
91.05476	0.7
93.07034	1.9
93.11841	0.6
95.04996	0.7
95.08581	1.5
105.07032	1.2
109.06504	0.6
109.10179	0.7
111.08127	0.6
117.89986	0.7
119.08611	0.8
133.10107	0.7
165.12781	0.8
166.13066	0.6
221.11403	1.6
317.20923	0.9
335.21906	100.0
336.22266	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	335.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.5
55.01865	1.4
55.05509	7.5
57.03188	1.2
57.03438	8.6
67.05172	2.0
67.05504	26.8
69.07062	7.4
79.05498	14.4
81.07057	19.2
83.08626	2.8
91.05476	5.6
93.07053	14.8
95.04984	2.9
95.08607	16.3
95.60566	1.1
98.21537	2.0
105.07034	4.7
107.08604	6.6
109.06514	1.3
109.10134	5.9
119.08601	3.2
121.10129	5.5
123.11739	1.9
131.08594	2.3
133.10132	2.2
135.11694	1.9
147.11737	1.8
204.08850	1.1
257.12250	1.3
317.24957	1.7
335.21991	100.0
335.25842	17.6
336.22333	5.8
336.25906	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89099	0.5
55.05497	1.1
57.03435	1.1
60.30840	0.6
64.59232	0.7
67.05502	3.8
69.07064	1.1
79.05476	2.2
81.07052	3.9
83.08581	1.1
91.05495	1.7
93.07036	3.2
94.55258	0.6
95.04973	0.6
95.08615	3.0
98.21494	1.6
105.07008	1.7
107.08585	1.6
109.10129	1.0
117.06985	0.7
119.08581	1.4
121.10146	1.6
124.74629	0.6
125.08347	0.6
131.08540	0.9
133.10126	1.0
135.11742	0.7
143.08549	0.8
173.13197	0.8
194.50717	0.7
195.09982	1.9
245.12476	1.0
335.21890	100.0
336.22186	4.9
336.25665	1.0
353.21808	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41038	1.0
51.41557	0.9
53.03942	3.3
55.05507	16.8
56.96554	1.5
57.03438	18.0
57.07067	1.8
65.03934	3.2
67.05503	66.2
69.07066	15.6
69.64551	1.0
69.71369	7.7
71.04980	1.4
79.05489	31.8
81.07050	50.1
83.04961	1.3
83.08615	6.5
85.06528	1.7
91.05476	15.4
93.07042	36.8
95.04956	4.5
95.08606	43.0
97.06517	2.5
97.10161	1.8
98.20840	1.9
98.98497	1.4
105.07021	8.8
107.08585	13.5
109.06541	2.4
109.10144	15.9
117.07004	3.0
119.08575	6.1
121.10142	11.7
123.08105	1.1
123.11700	5.4
131.08580	4.1
133.10121	5.3
135.11678	6.0
145.10143	3.6
147.11685	2.8
149.13242	2.7
154.90347	0.9
159.05101	1.0
159.11713	1.1
161.13260	1.5
173.13261	1.2
195.09923	1.3
201.09744	1.4
219.10870	1.7
231.10791	1.3
257.12460	2.2
261.22256	1.8
317.19611	1.5
335.21881	100.0
335.25824	36.5
336.22034	3.8
336.25589	2.0
353.21710	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96117	0.7
52.61652	0.6
55.05497	2.6
57.03417	2.6
63.77605	0.8
67.05503	8.0
69.07061	2.1
71.59000	0.8
71.59392	0.9
79.05496	5.5
80.90036	0.8
81.07062	9.1
83.08628	1.2
88.07663	1.0
91.05485	3.3
93.07037	5.1
95.04988	1.2
95.08616	7.4
103.50071	0.7
105.07021	3.0
107.08572	3.7
109.10133	3.4
119.08609	2.4
121.10157	3.1
123.11684	1.1
131.08575	2.0
133.10150	1.4
135.11702	2.0
145.10176	1.3
147.11621	1.0
159.11752	1.0
161.13272	1.0
173.13261	0.9
177.16272	1.0
243.21146	1.2
243.25098	0.8
245.12407	2.0
254.84320	0.8
261.22073	0.9
317.20819	1.4
335.21945	100.0
335.25653	6.2
335.30066	2.8
336.22128	4.0
336.25897	1.2
353.21832	1.5
354.22409	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.7
55.01857	3.7
55.05505	14.6
57.07082	3.3
67.05499	22.4
69.03426	10.1
69.07071	30.9
69.47452	25.0
71.04988	3.7
77.27478	2.6
79.05485	14.6
81.07050	25.3
83.04977	6.6
83.08621	16.4
85.02893	8.8
85.06526	3.2
87.04459	2.8
91.05463	22.4
93.07035	21.3
95.04956	9.5
95.08598	25.0
97.06530	18.3
97.07054	2.6
98.20670	4.9
103.05467	2.7
105.07017	36.3
107.08596	58.7
109.06514	10.2
109.10153	22.8
111.04468	7.3
111.08082	10.2
117.07008	8.3
119.08577	32.6
121.06496	8.7
121.10135	33.1
123.08049	7.4
125.09603	5.6
127.03864	3.6
131.08545	12.8
133.06438	4.2
133.10147	35.9
135.08096	15.6
135.11674	18.1
137.09608	18.2
140.53493	2.6
143.08607	8.2
145.10141	22.2
145.22906	2.8
147.08017	9.2
147.11673	17.5
149.09602	21.8
149.13182	5.8
151.11282	5.8
152.48795	2.6
153.09100	4.9
156.09337	4.7
157.10088	14.1
159.08057	8.0
159.11702	26.5
161.09633	26.3
161.13237	15.1
163.11192	10.8
168.81244	2.7
169.10161	4.8
171.11739	13.6
172.08780	3.7
173.09604	11.3
173.13239	14.1
174.10269	3.1
175.11172	24.4
179.10695	4.9
181.12189	10.7
183.11711	5.0
185.13170	6.0
187.11206	16.7
187.14778	3.5
189.12723	20.3
189.16362	6.5
190.13518	3.8
191.14423	3.1
195.11693	5.3
197.13345	3.6
199.11185	6.1
199.14926	5.1
201.12733	8.4
201.16438	9.7
203.10654	5.6
210.14046	7.1
211.14838	3.1
213.12720	5.9
215.17903	6.1
217.05017	3.3
217.12192	2.9
217.15744	3.1
221.33609	2.6
225.16396	7.8
243.17430	23.7
245.15314	3.2
247.17043	4.6
253.15955	4.5
261.18488	13.7
263.16391	3.8
271.16971	7.7
289.10840	5.0
289.18018	29.5
299.16394	4.7
307.19022	100.0
317.17447	8.3
335.09000	6.8
335.18524	37.7
335.22366	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	335.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89914	3.3
55.84278	3.4
57.04528	2.9
60.40068	3.4
65.03947	5.2
67.05492	12.6
69.07068	100.0
70.90882	11.1
79.05474	7.1
81.07054	14.1
83.04994	5.9
90.45850	3.1
91.05467	6.7
93.07058	5.9
94.06575	6.3
94.35655	3.7
95.04939	10.0
95.08636	5.6
97.06525	18.5
100.22612	3.8
105.07024	6.5
107.08595	4.1
109.06516	4.6
109.10159	10.5
119.08572	7.6
121.06462	7.7
121.10131	5.4
122.06043	7.5
123.04416	4.1
125.14092	4.0
135.08040	5.0
137.05989	5.2
138.05507	8.3
140.07082	9.5
143.08629	3.4
145.06392	3.8
145.08911	3.9
146.83363	3.8
150.05498	79.6
151.03918	7.4
152.04182	4.5
161.08357	4.5
166.04997	28.8
168.07576	4.0
172.11224	5.8
173.08362	5.6
174.12820	6.7
176.03490	6.9
178.04959	4.1
187.73003	3.9
187.74925	3.5
190.12305	5.6
200.10661	10.0
202.12267	7.9
216.10156	6.1
218.11719	33.6
228.10164	17.1
246.11333	25.7
271.10751	9.0
287.10175	7.1
289.11765	14.2
317.11362	18.5
335.12195	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	335.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56869	0.8
55.01871	7.4
55.05499	1.3
56.96549	1.1
57.03427	1.5
57.07076	4.4
61.02928	1.0
64.14101	0.8
65.03954	0.8
67.05502	2.1
69.03430	1.9
69.07059	2.8
69.92914	3.1
70.06590	4.1
71.01339	1.4
71.04977	0.9
73.02911	2.1
73.24741	0.8
74.06059	1.7
79.05502	2.1
81.03383	1.4
81.07047	1.9
82.06579	6.6
83.04978	1.5
83.06917	2.0
84.04485	1.1
84.08138	0.9
85.02905	5.3
86.09692	1.5
91.05478	3.1
93.07014	1.4
94.06585	6.7
95.04963	1.4
95.06894	3.0
95.08594	3.2
95.93723	0.9
96.04485	1.0
96.08119	1.2
97.02880	2.3
98.97580	2.0
105.07066	1.3
106.06679	0.9
107.04974	1.7
108.04401	0.9
109.02937	1.1
109.10107	1.2
113.02397	1.5
114.29790	0.8
116.98589	1.5
119.08573	1.1
122.06026	2.3
124.07547	1.0
125.73011	0.8
131.08551	1.7
136.07613	1.3
138.05519	2.4
139.03888	1.1
140.07022	2.0
141.01863	1.1
144.08141	0.9
145.02829	1.3
146.05981	0.9
146.99640	1.1
149.09586	1.4
150.05489	2.2
152.07060	1.3
155.10593	1.0
159.10161	2.6
162.05542	1.1
164.07054	1.4
166.04990	2.1
168.06590	1.2
172.07516	1.1
172.11073	1.3
173.10869	1.0
177.05493	1.6
178.04941	1.0
178.08676	1.7
182.08377	1.4
184.07567	1.3
188.07132	1.2
192.03021	1.7
197.10739	1.3
198.09134	2.1
199.08711	2.1
200.07121	1.5
200.10837	1.5
201.06537	1.7
201.10207	3.9
202.08614	1.2
203.11787	0.9
210.07933	1.2
211.13184	1.1
212.06979	1.7
212.13638	1.7
213.10216	1.9
214.07321	1.4
215.08173	2.5
215.11729	1.6
216.08954	1.9
217.09712	2.1
221.17368	2.1
225.10252	1.5
226.08684	2.1
227.08179	3.0
227.11769	1.1
228.10173	3.9
229.06155	1.2
229.09683	5.9
230.10356	0.9
231.10980	1.0
237.02695	1.1
239.18347	1.8
243.07680	1.0
243.11314	5.8
244.08655	0.9
245.09215	2.5
247.10765	1.8
249.16765	3.5
254.08173	1.9
257.09247	19.6
258.09790	2.4
261.12375	1.4
265.11615	1.2
267.17786	5.0
271.10736	14.3
272.09116	1.1
285.18842	1.8
287.10257	6.4
289.09470	0.9
289.11917	11.0
299.10291	17.2
303.19803	1.1
307.12878	2.5
317.11316	100.0
318.11649	3.3
335.12360	9.5
335.16028	1.7
335.22638	6.8
344.48566	1.0
358.08163	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.9
55.64262	1.5
56.96570	17.6
57.03419	3.3
59.22885	1.5
61.02911	3.8
69.03419	11.2
71.57249	2.6
73.02914	2.8
73.06550	5.0
77.00936	1.5
81.03415	4.5
82.99862	1.6
83.06117	1.7
84.04507	2.2
84.96035	2.6
85.02901	17.7
86.03252	2.3
87.04482	3.2
91.03920	1.8
91.05481	4.7
94.99786	1.5
95.04974	1.9
97.02885	12.8
98.97575	19.4
99.04468	1.9
101.00875	10.6
103.02464	2.2
105.00372	1.9
109.02827	2.5
111.04133	1.4
113.00880	4.8
113.06020	1.4
115.02451	6.0
116.98608	16.7
119.01913	44.3
119.04953	3.3
120.05227	1.7
121.01680	1.7
121.02818	1.7
123.05515	2.1
123.90210	1.4
126.05573	2.2
127.03935	2.9
128.02382	2.1
128.98621	3.7
129.03981	2.9
130.06506	11.1
131.01901	37.6
131.05537	8.3
132.04451	3.3
133.03468	11.0
134.99651	9.7
137.02960	10.0
137.05933	7.1
138.06349	2.5
142.03537	2.2
143.00217	2.1
143.01892	35.8
145.01704	2.2
145.03464	10.4
145.04871	2.1
146.03908	1.4
146.99654	4.6
147.01353	1.8
147.03281	3.3
147.04327	4.4
147.05110	4.7
148.04749	1.8
149.02977	8.2
149.06615	18.9
155.01906	28.1
155.04637	4.8
155.54764	3.7
156.02698	4.5
157.03459	3.0
157.07542	2.8
158.06065	3.4
158.99629	6.0
159.05057	5.2
161.02957	74.6
162.03055	2.4
163.02748	3.9
163.04605	2.1
164.05174	4.2
164.55209	1.5
165.04271	2.1
171.05092	3.0
172.05789	1.8
173.02966	33.7
173.06590	42.3
175.04527	3.0
177.00731	11.7
177.06094	7.9
184.04562	3.3
185.03011	3.1
185.06601	44.6
187.08182	12.0
189.04361	1.9
190.05382	3.9
191.03920	2.2
191.05891	2.3
191.07619	19.1
196.04535	2.4
197.06624	4.0
199.08318	2.7
201.06108	2.7
203.03960	7.0
203.07657	34.4
205.03799	1.8
205.09151	3.5
214.09268	2.3
215.07658	17.9
217.09334	2.8
218.06145	2.9
219.01781	3.1
221.03003	1.3
221.05063	33.5
226.09114	1.8
227.07788	7.1
227.56902	3.7
233.08664	7.5
234.98991	3.0
237.02821	9.5
238.03256	2.0
243.07568	2.3
244.07857	2.3
244.57863	8.2
245.05278	2.3
245.08434	3.6
257.08740	6.7
275.09769	69.7
276.09921	2.8
289.03455	2.3
291.07602	2.4
293.10800	100.0
294.10913	4.3
303.10406	2.9
309.08472	7.9
310.08957	4.9
310.60028	2.7
316.12390	3.7
325.60611	3.5
326.10995	2.4
335.12000	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.4
55.01875	3.3
55.05510	14.7
56.05037	4.9
67.04235	3.1
67.05525	12.3
69.03426	4.1
69.07082	5.5
70.06578	4.1
70.85132	7.9
71.04980	6.3
74.06078	34.5
79.05468	12.6
81.03415	13.2
81.07052	15.8
82.06582	100.0
83.04994	17.3
83.06951	2.6
83.08607	7.3
83.56932	2.5
86.06069	6.0
86.09713	12.0
87.04473	4.5
91.05468	12.2
93.07046	11.5
94.06569	86.0
95.04958	8.4
95.07364	3.3
95.08621	5.5
96.08122	9.0
98.06052	9.6
105.07032	5.6
107.04890	2.6
107.08582	14.1
108.08127	5.6
109.06515	2.7
109.10149	5.4
111.08086	3.0
112.07605	2.5
119.08580	3.8
120.08109	7.7
121.10147	5.3
122.06049	3.2
122.09644	3.2
124.07577	4.5
125.09612	6.4
129.06999	4.6
130.06537	4.6
131.08525	3.8
133.10162	4.6
136.07516	4.3
137.05980	5.3
147.11665	6.7
148.41182	3.0
149.09625	4.9
151.11185	6.3
152.07089	2.8
153.01836	2.8
158.06024	5.7
165.12704	2.8
166.12267	4.7
168.13799	4.6
175.08658	5.4
175.11150	5.3
184.13336	8.4
184.45299	2.4
193.12274	14.1
211.13293	47.3
220.16972	23.7
221.09210	8.1
225.14893	6.5
230.15402	7.8
236.16487	6.2
238.18016	18.4
248.16467	66.7
249.16852	4.3
266.17523	70.6
267.17780	5.0
272.18488	16.9
280.19131	2.9
284.18573	15.3
298.20071	4.8
302.12155	4.8
302.19601	29.7
316.21140	11.0
334.22018	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	335.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05007	1.3
56.96567	99.4
60.59330	1.1
69.03431	2.1
70.98119	8.4
71.49785	2.5
74.97612	6.1
83.06108	1.3
84.04510	1.6
84.08147	1.7
84.96023	5.9
85.02909	3.1
86.09710	2.5
86.97597	1.1
88.99168	8.1
90.03837	1.3
97.02841	2.2
98.97594	5.1
98.98472	3.0
100.99147	6.8
101.00889	4.0
102.97068	1.5
107.00185	3.9
110.97593	3.2
115.02399	1.5
116.98605	3.4
117.38924	1.2
119.00190	9.3
119.00936	1.1
119.01089	1.2
119.01929	13.0
119.03526	1.3
120.52522	1.1
127.03893	1.2
128.98621	9.9
130.06551	4.8
130.96495	2.2
131.01913	12.3
131.05537	2.2
133.01698	5.6
133.03487	3.1
134.99678	3.0
137.01239	1.9
137.02966	2.9
137.05946	3.8
143.01913	13.2
143.02982	1.9
143.03409	1.5
144.98091	23.3
145.03490	4.2
146.99664	11.8
148.97562	4.5
149.06613	5.0
151.02783	2.3
153.01807	10.0
155.01933	7.9
156.02675	1.2
158.99734	1.2
160.95477	1.3
161.01266	3.2
161.02966	23.1
161.88428	1.1
162.99152	44.3
165.00732	3.0
166.98698	2.5
173.02989	9.1
173.06592	11.7
177.00615	1.8
177.06189	2.1
179.02213	3.3
181.00198	26.6
184.04611	1.2
185.06609	12.7
186.99174	4.0
187.08168	3.5
191.07599	5.8
199.01294	4.2
199.08405	1.5
203.03970	3.1
203.07623	9.2
205.00212	33.4
205.09302	1.9
215.07657	4.9
221.05074	11.4
223.01257	100.0
224.01549	1.9
225.06587	1.6
227.07503	1.3
228.01825	2.6
233.08725	3.0
237.02765	1.9
241.02301	17.5
243.07544	1.6
246.02901	6.1
247.01280	26.2
249.03009	1.5
257.08850	2.3
259.01321	3.2
264.03876	1.2
265.02338	12.6
275.01038	2.0
275.09760	21.3
277.02368	2.8
288.04141	1.2
293.01785	1.9
293.10803	30.9
299.40674	1.2
309.08606	2.3
310.02448	1.2
310.08945	1.6
317.01657	4.6
335.02859	9.4
335.12021	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	334.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01742	1.6
53.69134	1.4
55.05515	8.6
56.96559	2.2
57.03432	3.6
61.02916	3.2
69.03426	9.3
70.06583	5.8
70.10764	6.7
71.04970	2.7
73.02922	1.9
75.89552	1.7
81.03410	4.0
81.07061	18.3
83.08619	6.2
83.50513	1.5
85.02916	18.9
85.06528	3.2
85.15892	1.6
97.02892	6.3
98.09676	2.3
98.20868	2.1
98.97572	5.4
98.98463	3.2
108.08121	3.2
109.06506	17.3
111.08108	1.8
116.98624	5.2
118.08636	1.8
122.06028	2.2
124.07545	2.6
125.07804	1.5
126.09154	49.5
127.03910	5.6
127.07559	17.3
134.99658	3.4
136.07596	1.9
137.06006	3.3
138.09033	1.5
150.05492	1.7
151.05853	1.8
154.08624	58.1
154.09830	3.5
155.07033	39.8
155.08975	2.3
162.72385	1.9
172.09689	100.0
173.10056	3.0
177.00684	2.0
180.27188	1.7
206.08815	1.7
214.08537	2.0
234.98856	1.8
237.02859	4.5
293.09027	5.7
317.11255	4.8
324.54962	2.1
334.08826	10.6
334.15076	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	334.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	83.0
57.03434	11.5
61.02922	22.1
62.55908	3.4
69.03426	25.3
70.03758	5.7
70.12964	3.7
70.53962	14.6
70.98121	4.2
71.04983	4.5
73.02928	9.8
74.97634	4.3
81.03425	10.9
82.06560	17.7
84.96049	19.9
84.96470	3.4
85.02898	33.2
86.03254	4.4
89.00816	5.1
97.02897	21.0
98.97585	92.1
100.07606	21.7
100.99123	11.6
102.97153	4.0
106.73323	4.3
108.08144	4.1
109.02892	8.9
110.97604	7.5
112.00713	3.9
112.99113	9.7
116.98623	68.1
119.00196	9.0
119.01884	14.5
127.03922	16.1
128.02267	5.2
128.98637	13.6
130.01794	7.1
131.00171	18.2
131.01878	8.5
133.03369	5.7
134.99654	41.3
135.04381	4.0
137.02873	7.6
137.05951	5.1
140.04063	3.9
142.96548	4.6
143.00157	13.7
143.01874	5.4
143.02835	5.1
145.03476	7.5
146.99652	16.3
147.03134	4.7
149.01227	15.9
155.01849	5.9
156.36279	4.5
157.03452	10.3
158.99649	9.2
160.97687	6.4
161.01236	26.1
161.02895	5.7
162.53848	4.6
162.99164	4.8
165.00769	15.2
166.38058	4.0
171.04195	24.6
171.05911	5.8
171.54341	15.2
172.04381	4.0
173.01265	8.8
173.02898	6.4
174.99181	8.0
175.02786	6.5
177.00754	18.2
177.02200	6.4
179.02229	7.8
183.01778	15.8
184.02821	7.8
185.02902	9.5
188.97017	9.5
189.00751	8.3
190.98587	6.8
191.02223	12.3
193.00194	11.4
201.00647	5.4
202.03802	22.2
202.98575	5.5
204.44884	4.3
206.98116	9.7
207.01762	8.4
219.01762	9.0
220.04915	88.6
221.03065	8.1
221.05115	9.7
228.03899	5.4
232.99644	7.0
237.02853	12.6
238.05972	50.2
242.98193	5.0
243.56406	7.6
245.05104	5.2
246.06584	5.5
248.04482	7.9
251.04478	10.1
253.07578	15.6
258.06567	8.7
260.99124	21.8
262.07745	5.0
269.05359	28.4
274.05896	12.4
276.07419	24.8
287.06708	8.6
292.07004	54.1
293.05469	16.9
310.08286	8.1
311.06491	100.0
312.06653	5.3
316.06973	8.6
329.07455	7.2
334.08109	11.1
335.08356	15.2
353.09259	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	334.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	83.0
57.03434	11.5
61.02922	22.1
62.55908	3.4
69.03426	25.3
70.03758	5.7
70.12964	3.7
70.53962	14.6
70.98121	4.2
71.04983	4.5
73.02928	9.8
74.97634	4.3
81.03425	10.9
82.06560	17.7
84.96049	19.9
84.96470	3.4
85.02898	33.2
86.03254	4.4
89.00816	5.1
97.02897	21.0
98.97585	92.1
100.07606	21.7
100.99123	11.6
102.97153	4.0
106.73323	4.3
108.08144	4.1
109.02892	8.9
110.97604	7.5
112.00713	3.9
112.99113	9.7
116.98623	68.1
119.00196	9.0
119.01884	14.5
127.03922	16.1
128.02267	5.2
128.98637	13.6
130.01794	7.1
131.00171	18.2
131.01878	8.5
133.03369	5.7
134.99654	41.3
135.04381	4.0
137.02873	7.6
137.05951	5.1
140.04063	3.9
142.96548	4.6
143.00157	13.7
143.01874	5.4
143.02835	5.1
145.03476	7.5
146.99652	16.3
147.03134	4.7
149.01227	15.9
155.01849	5.9
156.36279	4.5
157.03452	10.3
158.99649	9.2
160.97687	6.4
161.01236	26.1
161.02895	5.7
162.53848	4.6
162.99164	4.8
165.00769	15.2
166.38058	4.0
171.04195	24.6
171.05911	5.8
171.54341	15.2
172.04381	4.0
173.01265	8.8
173.02898	6.4
174.99181	8.0
175.02786	6.5
177.00754	18.2
177.02200	6.4
179.02229	7.8
183.01778	15.8
184.02821	7.8
185.02902	9.5
188.97017	9.5
189.00751	8.3
190.98587	6.8
191.02223	12.3
193.00194	11.4
201.00647	5.4
202.03802	22.2
202.98575	5.5
204.44884	4.3
206.98116	9.7
207.01762	8.4
219.01762	9.0
220.04915	88.6
221.03065	8.1
221.05115	9.7
228.03899	5.4
232.99644	7.0
237.02853	12.6
238.05972	50.2
242.98193	5.0
243.56406	7.6
245.05104	5.2
246.06584	5.5
248.04482	7.9
251.04478	10.1
253.07578	15.6
258.06567	8.7
260.99124	21.8
262.07745	5.0
269.05359	28.4
274.05896	12.4
276.07419	24.8
287.06708	8.6
292.07004	54.1
293.05469	16.9
310.08286	8.1
311.06491	100.0
312.06653	5.3
316.06973	8.6
329.07455	7.2
334.08109	11.1
335.08356	15.2
353.09259	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	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04946	0.8
58.14357	0.9
61.78312	1.0
70.33472	3.9
78.61382	0.7
91.05498	1.2
93.07059	1.0
98.20864	1.0
98.98466	2.5
119.08511	0.8
142.42903	0.9
148.47415	1.0
221.11349	1.4
235.13051	1.9
251.12675	1.6
251.60674	0.9
333.20389	100.0
334.20758	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	333.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44262	0.9
54.10891	0.8
55.05506	1.1
57.03443	2.5
67.05505	2.4
69.07060	1.7
70.75948	2.8
77.50912	0.7
79.05470	4.1
81.07046	3.7
88.07619	0.8
91.05491	3.7
93.07043	3.8
95.04967	1.1
95.08598	2.4
98.97581	1.0
98.98462	6.5
105.07044	5.0
107.08580	2.8
109.10160	1.2
114.28773	0.9
117.07046	1.0
119.08591	5.3
121.10172	3.2
131.08565	1.4
133.10141	2.9
135.11725	1.7
136.57022	0.9
143.08583	1.0
145.10103	1.3
145.57159	0.9
151.03955	1.6
157.10162	1.0
159.11696	2.0
173.13321	1.4
184.38936	0.9
185.13197	1.3
241.19617	1.7
333.20395	100.0
333.23999	4.6
334.20801	2.0
334.29562	2.7
351.20023	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67230	0.7
67.05479	1.7
69.07029	0.8
71.59158	1.4
78.41331	0.7
79.05482	1.1
81.07047	1.0
91.05489	1.0
93.07046	1.5
95.08575	1.7
98.98460	6.6
105.07002	1.6
107.08589	1.4
108.46626	0.8
109.06551	0.7
119.08579	1.1
133.10135	0.8
136.70236	0.7
206.17744	0.8
206.23947	0.7
229.25784	0.7
235.33910	0.8
266.13467	0.7
328.70981	0.7
333.20355	100.0
334.20676	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	1.2
73.43740	0.7
76.35471	0.7
79.05511	0.6
81.07063	1.3
86.66677	0.6
91.05453	1.2
93.07037	1.1
95.08612	1.0
98.98459	5.4
105.07004	0.9
111.01541	0.7
135.11661	0.6
151.03970	0.8
153.05565	0.7
156.23898	0.6
161.13152	0.8
181.04938	0.7
215.00543	0.6
229.08704	0.6
333.20361	100.0
334.20538	2.1
352.45441	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	5.2
67.05512	7.0
69.98736	2.5
78.19231	2.6
79.05480	8.3
81.07058	8.8
88.28195	2.3
90.61623	2.8
91.05476	8.6
93.07033	9.7
95.08585	9.1
98.20804	8.1
98.98460	32.2
105.07042	9.4
107.08600	5.8
117.06972	3.8
119.08573	10.7
121.10229	3.0
133.10112	6.6
147.11687	3.8
153.59731	2.7
159.11717	3.5
176.98914	3.4
213.16345	2.8
229.55087	2.9
277.01514	3.2
315.19315	57.0
315.22998	4.6
315.26825	3.2
333.16376	5.8
333.20389	100.0
333.24155	10.3
333.34598	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	5.2
67.05512	7.0
69.98736	2.5
78.19231	2.6
79.05480	8.3
81.07058	8.8
88.28195	2.3
90.61623	2.8
91.05476	8.6
93.07033	9.7
95.08585	9.1
98.20804	8.1
98.98460	32.2
105.07042	9.4
107.08600	5.8
117.06972	3.8
119.08573	10.7
121.10229	3.0
133.10112	6.6
147.11687	3.8
153.59731	2.7
159.11717	3.5
176.98914	3.4
213.16345	2.8
229.55087	2.9
277.01514	3.2
315.19315	57.0
315.22998	4.6
315.26825	3.2
333.16376	5.8
333.20389	100.0
333.24155	10.3
333.34598	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87561	0.6
64.44659	0.7
68.25255	0.7
69.99690	0.7
70.32919	2.1
79.05489	0.8
81.07079	1.5
86.76710	0.6
91.05491	0.9
98.83318	0.7
98.98466	1.8
116.30882	0.7
118.39597	0.8
133.10109	0.9
135.11676	0.8
148.27678	0.7
158.52740	0.7
195.09950	2.7
333.20358	100.0
334.20776	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	333.2034
Annotation	PGB3
Peak:m/z	Relative Intensity
50.30748	1.4
55.25294	1.3
58.48735	1.3
63.54953	1.3
67.05524	1.8
70.49556	2.1
70.49902	5.5
70.99100	1.6
78.68320	1.3
79.05490	2.0
98.98460	6.9
123.04412	2.6
160.55190	1.8
166.86139	1.5
237.33972	1.5
247.13060	4.2
315.19290	8.2
333.20361	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1906
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03936	6.4
55.01862	9.1
55.05513	11.1
57.03429	13.7
57.07062	18.3
59.05001	10.8
61.02919	11.1
67.05498	26.2
69.03431	41.4
69.07066	20.3
70.48733	12.6
71.04975	8.8
74.06076	7.9
74.95800	3.7
79.05496	8.1
81.03409	15.4
81.07040	13.6
82.06567	13.2
83.01302	5.1
83.04955	5.9
83.08611	7.0
85.02898	95.3
85.06532	17.0
85.80579	3.7
87.04461	4.2
91.05486	9.0
93.07042	13.0
94.06559	5.7
95.04983	9.8
95.08611	71.1
97.02896	37.2
97.06531	10.8
98.98453	21.1
99.04435	5.5
99.08096	19.7
105.07019	8.5
107.04925	8.5
107.08589	17.3
109.02897	13.5
109.06509	16.4
109.10149	25.5
111.04473	4.4
111.08073	10.7
113.09641	79.6
119.08580	5.7
120.09388	4.1
121.10165	4.6
122.05991	9.0
123.04427	11.0
125.05917	5.7
127.03936	20.5
127.11184	46.5
133.05025	4.1
133.10144	5.4
135.11694	21.4
137.05986	26.4
137.13326	5.8
138.05533	11.7
139.03894	7.6
139.07492	4.3
140.07031	6.4
145.04956	20.3
146.63116	4.4
147.11681	5.6
149.06097	3.9
150.05542	24.3
151.03900	13.8
151.07562	4.6
152.07089	8.2
153.05489	12.3
153.12733	100.0
154.95410	3.7
155.14305	11.5
163.03969	5.6
166.05026	7.2
167.03337	8.8
167.07030	13.5
168.06538	4.6
169.04971	4.9
171.13785	45.6
177.05624	4.9
177.12735	5.0
211.13269	8.6
227.08199	11.3
241.09756	8.0
248.16492	8.9
255.11380	9.4
266.17581	7.8
269.09253	9.0
273.08725	5.7
297.08743	7.7
297.12134	9.8
301.11813	15.3
315.09610	18.4
315.13382	37.9
315.20279	5.4
333.10397	11.4
333.14456	48.8
333.20911	4.5
344.68726	4.3
358.47348	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96133	1.3
56.22486	1.2
67.05506	1.9
70.71748	2.6
70.72120	2.6
79.05489	1.8
81.07109	3.0
91.05502	2.3
93.07076	1.8
95.08620	2.1
98.98470	4.6
105.07031	2.5
142.93211	1.3
146.99684	1.4
193.04964	2.4
195.09988	3.9
315.15747	1.9
321.14035	1.4
333.20370	100.0
333.31873	2.2
334.20682	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17810	0.5
56.96570	1.0
58.54550	0.5
58.87313	0.5
69.03406	0.6
70.71593	1.8
79.05489	0.9
80.05009	0.8
81.07070	0.6
82.06579	1.0
85.02885	0.8
98.97580	0.8
98.98476	3.6
98.99041	0.5
103.05476	1.2
106.34060	0.5
108.04458	1.5
113.30688	0.6
116.98609	1.0
125.07101	4.0
126.05503	1.3
131.04993	0.6
134.99605	0.5
140.07146	0.5
151.50623	0.5
152.07005	0.7
163.03899	0.7
171.09932	1.8
197.07172	0.9
256.00455	0.5
287.01987	1.0
303.05029	1.3
315.09891	1.1
333.15167	100.0
334.15280	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.1
56.96303	3.1
56.96566	48.0
57.03424	2.5
57.07069	1.9
65.06230	1.2
67.05487	6.2
69.03401	1.8
69.07063	3.2
71.95260	6.1
74.97604	2.3
79.05478	5.9
81.03387	1.6
81.07039	5.6
84.96021	1.6
91.03924	1.7
91.05475	7.6
93.07034	7.3
95.04895	1.5
95.08607	3.3
97.96811	2.9
98.20741	3.8
98.97579	1.9
98.98455	13.5
105.07038	8.5
107.08565	3.7
109.10119	2.6
110.97563	5.2
115.97842	3.4
117.06997	2.6
119.08547	6.3
121.10146	2.0
123.01179	2.2
128.98611	16.5
131.00015	3.3
131.08592	1.9
133.10117	4.6
133.98941	2.1
135.11653	1.9
141.02177	1.9
143.00090	2.5
145.10138	2.1
146.99638	30.6
147.11594	3.0
149.01125	1.5
155.03792	2.3
159.11681	2.8
161.01208	6.4
163.11252	1.4
165.00720	8.0
169.05290	1.6
171.03288	2.5
173.13226	1.9
183.03229	2.1
189.00473	1.4
189.04332	2.5
193.03873	2.0
203.05905	3.2
237.98317	1.7
239.09616	1.6
241.11060	1.6
241.19418	2.2
243.09161	2.2
259.12155	2.6
259.20789	1.5
263.09341	3.5
264.54309	1.6
277.10855	1.5
281.10294	2.0
303.12701	3.7
315.12607	2.7
315.16263	53.1
316.16830	1.6
332.65738	2.0
333.17331	100.0
333.24097	7.3
333.31906	4.3
334.17752	3.3
351.18369	22.3
356.18985	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	333.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52803	2.2
55.05510	20.3
59.05000	3.7
69.03441	2.7
69.07053	3.0
70.62585	6.2
70.62982	4.9
79.05505	3.8
81.03423	2.9
81.07066	2.4
83.04987	17.4
85.02872	3.4
95.04981	3.2
98.98463	9.0
100.07607	3.8
100.11269	4.3
101.06008	21.1
107.04955	3.5
111.04432	17.4
115.05462	4.3
118.06514	13.5
122.79812	2.5
123.04440	12.2
127.03938	3.9
129.05473	5.5
130.06522	31.8
131.05104	2.6
132.08078	24.0
137.06004	17.8
142.06523	6.0
143.07327	3.8
144.08101	10.0
146.06013	51.7
147.06424	3.2
151.03915	36.6
152.07057	2.5
153.01801	3.2
153.05464	3.2
159.09175	100.0
160.07495	3.1
165.05418	6.1
167.03456	6.2
167.07057	22.1
170.06007	18.0
179.03410	7.1
179.07072	2.9
180.07893	3.1
182.08424	3.8
183.74335	3.3
185.07112	7.1
186.07780	3.0
187.08658	8.4
188.07063	76.3
189.07419	5.5
205.09746	17.5
208.06071	3.1
209.04338	3.0
210.14725	2.7
223.12222	11.9
233.10634	3.1
251.11809	12.7
255.06348	3.3
269.12866	32.7
287.13907	43.7
297.12277	15.1
315.13397	24.0
321.10263	2.7
333.09274	11.2
333.13446	2.7
333.21921	3.1
333.28796	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05259	2.0
55.05510	19.7
55.14674	1.2
59.04981	2.1
63.78362	1.0
67.07203	1.2
69.07062	1.6
70.06599	1.5
70.89559	3.7
72.08157	1.6
72.75663	1.4
81.03402	1.7
81.07045	2.0
83.04979	21.7
91.05478	3.4
95.04974	2.8
95.08636	1.4
98.06076	2.0
98.98475	3.6
100.07609	1.8
101.06013	20.4
105.07029	3.6
107.04934	4.0
109.02913	1.9
111.04444	12.9
114.09166	1.7
115.05437	5.1
117.05759	2.3
118.06548	19.2
118.27234	1.0
119.04940	1.8
123.04440	10.2
129.05450	9.9
130.05577	2.4
130.06520	30.8
131.06886	2.0
132.08095	29.5
133.06500	3.7
137.05951	6.3
140.39470	1.1
140.47452	1.2
142.06523	7.6
143.07338	2.0
144.08069	11.6
146.06007	63.1
147.04463	1.6
147.06503	3.9
149.09560	1.3
151.03900	19.7
151.07532	2.1
151.17603	1.4
153.05463	3.6
157.07660	1.9
159.09174	100.0
160.07555	4.7
160.09482	1.6
161.05989	3.8
163.03926	2.1
165.05466	2.9
167.03317	1.9
167.07033	10.2
168.06595	3.0
169.07581	2.7
170.06012	18.0
171.06297	1.7
176.14375	4.5
178.06230	3.5
179.03421	6.3
179.06964	3.1
180.08034	1.6
181.05013	2.0
182.08362	2.6
185.07149	7.2
186.07602	2.2
187.08694	4.1
188.07057	82.2
189.07477	1.6
193.05013	1.3
195.09236	1.7
205.09724	14.8
208.11180	1.5
223.12302	9.1
225.90865	1.2
251.11758	14.7
252.10158	2.9
269.12851	34.9
287.09116	2.2
287.13892	41.8
288.14066	2.1
297.12305	16.0
315.08633	4.7
315.13336	17.8
315.20551	1.2
318.06326	2.5
333.08978	9.1
333.21707	7.2
348.75909	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.01860	2.7
55.05512	1.7
57.07065	1.0
65.03947	4.1
67.05507	2.8
68.99780	2.2
69.03417	3.3
69.24704	1.1
70.00243	2.9
70.00631	2.5
71.04993	1.6
77.85157	1.1
79.05502	6.9
81.03409	2.5
81.07057	3.6
83.04987	1.5
85.02925	2.1
85.96861	1.0
86.09693	1.8
91.05482	35.8
93.03374	1.8
93.07066	1.5
95.04945	3.8
95.08618	1.5
98.98463	7.5
103.05454	3.0
105.07030	9.7
107.04943	17.3
108.05719	1.7
109.02859	1.6
109.06531	3.0
111.04441	10.0
115.05443	1.5
118.04140	2.7
119.04942	46.5
121.02895	1.2
121.06494	3.1
122.03645	2.3
123.04417	3.8
124.05218	2.8
125.05977	4.1
133.02870	4.3
133.06497	20.9
133.07472	2.1
134.03578	1.5
135.04407	25.6
135.08046	3.4
136.05141	2.1
137.02335	10.3
137.05968	16.5
138.03087	1.8
139.03905	13.0
139.07539	3.5
140.04651	1.2
141.05460	1.2
147.04407	100.0
149.02374	1.5
149.05934	3.0
151.03920	3.4
151.07527	13.6
152.04671	2.8
153.01846	6.3
153.05472	9.4
153.06839	1.7
155.03426	1.3
161.02332	1.5
161.06004	18.1
163.03905	32.1
164.04678	19.0
165.05489	5.3
167.03365	2.6
167.07042	14.6
168.04160	1.6
169.04958	1.6
169.06334	1.4
170.07286	1.4
171.06503	1.8
177.05499	3.7
178.06248	26.5
179.07028	59.6
180.07768	1.6
181.04852	1.8
181.06425	1.6
181.08621	4.0
183.06517	5.8
185.06056	1.3
187.03949	1.3
189.12712	1.2
191.03427	2.1
193.04984	1.6
193.08603	18.7
194.09380	6.0
195.06488	6.1
195.08162	2.0
195.10197	4.6
197.05959	3.7
198.06793	2.5
199.07581	1.5
205.04967	3.7
209.06096	2.0
211.44600	1.2
213.09285	1.2
217.05035	2.9
219.02873	1.9
223.05878	6.0
226.06316	2.1
227.07039	2.2
233.04396	2.5
237.15479	1.2
241.08638	3.8
244.03683	2.2
245.04521	1.3
245.08134	1.9
254.05771	3.4
255.06497	1.5
259.09482	1.5
269.08130	4.4
271.06033	3.0
273.03989	1.3
282.05249	2.9
286.08276	1.6
289.03488	1.7
300.06161	1.5
301.03442	2.5
301.07297	1.1
301.10895	4.4
305.10196	4.8
315.08722	5.0
315.12518	2.1
318.03461	5.2
333.02051	1.5
333.06024	23.9
333.09686	9.8
333.13684	4.2
333.21655	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	333.1333
Annotation	7,3'-Dihydroxy-8,2',4'-trimethoxyisoflavan
Peak:m/z	Relative Intensity
53.03942	1.5
55.01875	1.3
56.94373	1.1
65.03952	1.8
66.61442	1.0
67.05492	3.6
68.62352	1.0
69.03397	1.2
69.07053	1.4
71.59308	1.1
71.59713	1.7
75.62825	1.2
79.05489	18.2
81.03422	2.9
81.06649	1.2
81.07040	6.8
83.04964	1.5
91.05499	4.1
93.07030	2.4
94.04175	1.3
95.04961	4.4
95.08582	1.7
97.10862	1.3
98.98468	15.8
101.40884	1.1
103.05439	1.7
105.03314	1.2
105.07043	5.5
107.04958	31.5
107.08566	1.2
109.06548	1.2
109.10133	2.5
110.03664	1.7
114.75913	1.1
119.04975	5.0
119.08562	2.1
122.03616	1.6
123.04424	5.3
124.05192	5.7
125.05992	5.0
125.21770	1.1
133.06476	6.0
137.05980	2.3
138.03110	24.7
139.07550	1.4
145.10216	1.2
147.04430	5.0
149.06004	2.2
151.03918	3.3
152.04707	2.1
153.05461	100.0
161.05974	3.6
167.07040	58.5
176.98959	2.0
179.07047	6.1
181.04913	1.4
181.08575	2.0
185.06010	1.4
220.26540	1.2
288.10077	1.6
333.26215	2.3
334.29449	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1157
Annotation	Tos-Arg-CH2Cl
Peak:m/z	Relative Intensity
52.28510	0.5
56.96550	1.6
65.09364	0.6
69.03413	0.7
70.12231	1.2
70.12634	1.4
72.93760	0.7
79.05482	0.7
81.07052	1.0
85.02884	1.6
93.84932	0.6
97.02867	0.9
98.20833	0.8
98.97595	0.8
98.98471	7.9
100.98871	0.7
116.98650	0.9
134.99693	0.9
135.08078	0.6
135.30240	0.7
137.05951	0.7
155.48250	0.6
171.06331	1.4
176.98819	0.6
189.04333	2.2
207.05394	0.9
207.23369	0.7
231.05414	1.2
234.98950	3.8
237.02861	0.9
247.06573	0.7
253.00101	0.8
273.09323	0.8
315.05215	0.7
333.11554	100.0
334.11807	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	333.1174
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
50.25090	1.0
55.01879	1.3
56.96558	3.2
57.03422	1.5
61.02916	2.1
65.03934	2.3
65.79604	1.1
68.99786	1.4
69.03432	5.9
69.07099	1.5
70.98180	3.2
73.02878	1.8
79.05513	1.4
80.06535	1.2
81.03404	3.4
82.06558	2.9
83.04984	1.8
84.41032	1.2
85.02901	10.3
93.07005	1.1
97.02885	5.0
98.97547	1.9
98.97812	1.6
98.98465	21.5
99.04446	1.6
100.98898	1.6
107.04921	1.6
109.02874	2.0
111.04447	11.5
116.98608	2.2
122.06041	1.2
123.04214	1.2
127.03875	2.4
134.99643	1.9
138.29221	1.4
139.03902	19.6
153.06563	3.4
156.04115	1.2
158.97491	1.1
169.04979	1.2
170.05951	1.4
171.06499	18.4
176.98880	2.1
185.88954	1.3
189.04330	4.2
201.47630	1.4
207.05388	1.6
212.18512	1.3
221.05112	1.8
231.05362	3.2
234.98987	4.0
235.02263	2.3
237.02863	1.4
249.06410	1.6
252.30673	1.3
273.09467	1.2
315.09552	1.4
333.11542	100.0
333.14893	4.8
334.11978	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0969
Annotation	Sulochrin
Peak:m/z	Relative Intensity
53.03952	1.0
55.01865	0.7
65.03931	0.7
65.65031	0.4
67.01865	0.5
67.05497	3.6
68.99789	3.9
69.68349	0.7
69.68762	2.0
72.47514	0.4
79.05493	4.1
81.03423	4.5
81.07034	0.6
83.04977	4.2
91.05479	4.4
93.07072	0.5
94.92753	0.5
95.04971	8.4
98.98463	1.4
105.06999	0.8
107.04971	8.5
109.02863	1.3
109.06562	0.6
111.00792	0.8
111.04443	0.6
119.04964	3.0
121.02839	0.5
121.06499	1.1
123.04427	51.0
124.05254	3.3
125.05985	1.0
127.03919	1.4
131.04871	0.5
133.02835	4.2
133.06508	2.2
135.04407	0.9
137.05930	2.4
139.03891	2.1
139.07513	3.1
140.04665	1.2
147.04436	3.3
149.02345	2.3
149.05936	0.7
150.03036	0.5
151.03903	100.0
152.04480	1.9
153.01816	6.2
153.05470	1.8
155.07022	1.0
160.05128	0.5
161.05991	2.2
163.03891	4.4
164.04596	0.5
165.05507	2.8
167.07040	38.5
168.07365	0.7
179.03407	21.0
179.07008	9.2
180.03821	0.5
180.07806	1.6
181.08611	0.6
183.06558	0.7
185.06004	1.0
189.05522	1.0
189.26555	0.4
197.05951	0.4
199.07437	0.7
207.06506	1.6
212.04692	0.5
213.05505	1.7
217.08484	0.6
220.54150	0.4
221.08035	0.4
227.07108	0.9
245.08058	1.1
255.06540	0.8
273.07620	2.0
305.10141	3.9
315.08600	1.8
333.09683	23.7
334.10025	1.0
355.03503	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0968
Annotation	Sulochrin
Peak:m/z	Relative Intensity
50.22207	0.4
50.79673	0.5
50.95963	0.5
51.12112	0.4
53.03945	2.3
55.01857	0.8
55.05505	1.1
64.81911	0.5
65.03939	3.3
66.04739	0.6
67.05492	1.9
68.99786	1.6
69.03455	0.8
69.07063	1.1
70.92439	0.7
70.92802	1.6
78.04710	1.0
79.05060	1.0
79.05493	13.1
81.03416	1.6
81.07057	3.2
82.57230	0.5
83.04984	0.6
85.02904	1.0
89.03947	0.6
91.05486	4.7
92.02614	1.7
93.03439	0.8
93.07033	1.6
94.04172	0.8
95.04980	5.2
95.08615	1.1
96.05784	0.7
97.02898	0.7
97.06531	2.1
98.98469	5.8
105.03382	1.4
105.04520	1.0
105.06989	1.3
106.04204	0.9
107.04958	25.1
107.08588	1.0
108.02084	2.6
109.02885	0.8
109.06535	1.5
109.10116	0.7
111.04435	2.5
116.98595	0.7
119.04957	0.7
119.08575	1.2
120.02094	2.7
121.02871	1.5
121.04007	0.6
121.06503	2.6
121.10191	1.0
122.03651	1.9
123.04441	4.9
124.05242	4.7
125.06010	3.5
129.07051	0.6
131.08586	0.9
133.02824	0.7
133.06422	0.8
134.03638	0.8
135.04387	1.5
137.02327	9.9
137.05957	5.3
138.03104	2.4
145.06479	0.7
147.04370	1.0
150.03117	0.8
151.03906	100.0
152.04663	4.5
153.05470	6.4
153.06863	0.9
154.02618	1.5
161.05902	0.9
163.03949	3.7
164.04649	0.7
165.01857	4.0
165.05490	1.7
166.02647	5.1
167.07050	24.3
168.07419	0.5
173.05974	0.7
179.03369	5.9
179.07025	0.6
180.04193	6.6
181.04970	37.0
181.08549	1.7
184.03696	1.9
187.07509	0.9
193.08548	1.2
195.06523	32.8
196.06992	0.8
197.06059	0.9
198.06760	0.5
199.07541	1.0
207.10059	0.7
213.09087	1.1
234.16826	0.6
241.08704	1.4
243.06454	0.9
259.09616	1.6
271.06241	0.7
273.11179	0.8
287.09097	3.9
288.09921	2.4
300.06143	0.6
301.10706	2.1
305.10321	0.9
315.08667	3.2
333.09601	1.1
333.13272	1.7
333.20743	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0968
Annotation	Sulochrin
Peak:m/z	Relative Intensity
52.03170	0.3
53.03941	1.0
55.01865	0.7
55.09676	0.3
65.03931	2.1
67.05499	1.9
68.99787	1.5
70.74667	0.6
70.75023	0.6
79.05495	3.9
79.72340	0.3
81.07045	1.0
83.04957	0.5
88.22926	0.3
91.05484	2.2
92.64056	0.3
93.03416	0.4
93.07008	0.5
94.04182	0.7
94.59531	0.3
95.04966	2.8
95.08588	0.7
97.06538	0.3
98.98471	1.5
105.03371	0.5
105.04519	0.4
105.07050	0.6
106.04169	0.4
107.04952	9.6
108.02091	4.4
109.02878	0.6
109.06512	0.8
110.03622	0.3
111.04440	1.9
111.08078	0.5
114.64741	0.3
115.77087	0.3
116.62144	0.3
119.04935	0.4
120.02066	0.3
120.05815	0.3
121.02866	1.2
121.03912	0.3
121.06490	1.1
123.04434	3.1
124.05204	3.9
125.05994	1.1
126.06237	0.3
128.24780	0.3
133.02823	0.9
133.06418	0.5
134.03534	0.3
135.04445	1.9
137.02332	10.8
137.05960	1.0
138.03078	1.0
139.03883	0.5
139.07530	4.4
142.60701	0.3
145.06453	0.4
147.04361	0.8
149.02333	0.4
151.03896	100.0
152.04672	4.4
153.01846	1.6
153.05481	2.0
154.02621	2.0
161.05933	0.3
163.03899	2.5
165.01825	7.5
165.05484	0.3
166.02621	2.5
167.05635	0.5
167.07027	9.8
179.03392	4.9
179.06996	0.7
180.04153	5.5
181.04959	17.1
182.05322	0.5
195.06523	15.9
196.07018	0.7
197.06042	0.4
198.06792	0.4
227.07048	0.8
241.08694	0.4
255.06494	0.6
256.28320	0.3
259.09717	0.9
272.06824	0.4
273.11508	0.4
287.09171	3.1
301.10687	1.1
315.08600	0.7
333.09479	0.6
333.13104	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0967
Annotation	Sulochrin
Peak:m/z	Relative Intensity
51.96775	0.4
55.01874	0.6
55.05510	1.0
62.14746	0.5
67.05507	3.1
68.99786	3.3
69.07043	0.8
70.75594	1.1
70.75940	0.6
74.66370	0.5
79.05468	2.4
81.03408	4.1
81.07046	1.3
83.04974	5.3
85.15724	0.5
91.05484	2.9
93.07046	0.7
94.04196	0.7
95.04968	6.7
95.08603	1.4
98.98465	7.1
103.05476	0.8
105.07021	1.5
107.04958	1.8
107.08559	0.7
109.02907	0.7
109.06483	0.9
111.00787	0.5
111.04440	1.3
115.05399	0.7
116.99503	0.7
119.04922	3.0
119.08575	0.9
121.06496	2.0
122.03622	1.9
123.04428	38.3
125.05979	1.3
132.28096	0.5
133.02824	1.5
133.06467	1.6
133.10150	0.8
135.04367	0.8
137.05972	9.5
139.03909	4.3
145.10107	0.7
147.03365	0.6
147.04372	3.1
147.08025	0.6
148.05208	0.6
149.02278	2.5
151.03902	100.0
152.04300	1.6
153.00769	0.7
153.01833	3.7
153.05489	1.8
153.06978	0.7
154.06253	3.6
155.06999	0.7
161.05986	2.3
163.03925	3.3
165.05469	9.8
165.06886	1.0
167.07040	29.4
176.98930	0.8
179.01825	0.9
179.03400	17.1
179.06934	4.6
180.07809	8.0
181.04990	0.5
181.06459	0.8
181.08429	0.8
183.06560	0.8
183.52795	0.5
185.05919	0.6
193.08665	0.9
198.06670	1.0
203.07053	0.7
205.08588	0.7
213.05458	2.2
227.06996	1.0
231.06424	0.6
241.04922	0.8
245.08133	3.6
254.19135	0.5
273.07626	2.3
273.10959	0.7
283.06079	0.7
288.09906	1.6
301.10721	1.2
305.10202	6.2
315.08749	1.5
333.09604	16.0
333.12573	1.1
333.17047	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97999	5.0
55.05505	13.2
56.05032	16.2
56.96569	5.6
59.13790	5.8
67.05497	7.3
69.03436	24.7
69.07053	4.8
69.66641	4.3
70.06590	15.1
71.05031	4.3
71.57870	9.9
72.04536	5.6
72.08156	22.6
74.02462	5.2
74.06072	20.4
76.05128	13.7
78.05260	5.5
79.05477	10.4
81.07076	13.5
83.08627	11.0
84.04499	15.9
84.08126	17.6
85.02908	17.9
86.09704	17.9
91.05491	14.6
93.07040	11.3
94.06606	5.3
96.05627	13.7
97.41342	5.4
98.98467	100.0
100.98859	6.8
101.07164	7.4
102.05544	10.2
103.05493	9.3
105.07029	8.8
105.73083	5.2
107.04942	18.7
107.08606	7.2
113.35025	4.4
114.06639	23.4
119.08608	5.2
120.08114	18.4
122.06030	5.4
123.04460	12.0
124.60619	5.1
129.10257	10.9
130.08658	4.9
131.04915	7.1
133.02957	4.7
137.05951	10.9
139.03915	58.7
139.11163	12.2
146.06056	12.3
153.01820	14.2
153.12772	5.4
159.09128	5.6
160.07263	6.3
163.03915	16.1
165.05487	69.6
173.12935	19.4
174.13190	17.0
176.98921	10.1
177.05484	7.3
177.09795	10.2
181.05005	8.0
187.14487	6.6
188.07057	11.3
188.14694	8.5
190.04951	6.4
191.05272	8.1
192.05521	10.7
201.12401	7.8
214.15511	5.2
219.01733	7.4
225.10252	14.4
232.16426	5.5
237.02817	13.6
245.46165	5.0
255.11243	5.1
284.11484	13.7
287.01892	8.3
315.20267	27.2
333.02512	12.3
333.10110	33.9
333.14310	45.2
333.21194	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0965
Annotation	Sulochrin
Peak:m/z	Relative Intensity
53.03949	0.7
55.01855	1.3
65.03926	1.1
67.05492	3.8
67.38029	0.6
68.99788	3.5
70.25096	3.1
79.05476	5.5
81.03415	4.6
81.07020	1.8
83.04989	5.7
91.05479	5.6
95.04968	8.3
98.98473	3.5
103.05415	0.8
105.07008	1.9
107.04945	14.0
107.08587	0.8
108.15482	0.7
111.00738	0.9
117.25181	0.7
119.04914	4.1
123.04420	50.1
124.05155	2.1
125.05987	1.2
129.06960	0.7
133.02840	2.7
133.06483	2.5
135.04384	0.8
137.05986	3.9
140.04680	1.3
147.04422	3.4
149.02332	2.6
149.06046	0.7
151.03893	100.0
152.04332	2.2
153.01808	6.4
153.05482	1.3
154.06111	0.7
155.06993	1.2
157.06502	0.8
161.05969	3.0
163.03928	4.4
163.05171	0.7
165.05521	3.5
167.07034	48.7
168.07330	0.8
179.03378	18.9
179.07031	10.6
180.07829	1.5
184.05128	0.9
185.06017	0.9
189.05386	1.0
207.06500	2.8
212.04601	0.7
213.05510	1.8
227.07013	2.1
229.43649	0.7
245.08136	1.9
273.07535	1.8
305.10095	4.2
315.08539	1.6
333.09641	24.8
333.26453	0.7
334.10101	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0602
Annotation	Allopatuletin
Peak:m/z	Relative Intensity
53.87533	0.3
55.05510	0.4
56.46468	0.3
58.26559	0.3
64.07147	0.3
65.03938	0.5
66.32954	0.3
67.01877	0.3
67.05510	0.3
68.99787	2.1
69.03419	0.3
70.90162	0.4
70.90523	0.6
74.16656	0.3
77.50980	0.3
79.05493	0.7
81.03410	1.1
81.07062	0.4
85.02900	0.7
85.06537	0.4
91.05476	0.7
93.03419	0.3
95.04945	0.4
95.08575	0.5
97.02879	0.5
98.98468	2.1
99.08104	0.4
105.07035	0.4
107.04951	0.4
108.02084	0.8
109.02882	2.6
111.00784	1.5
111.04410	0.4
111.58812	0.3
119.08594	0.4
121.02888	0.6
121.06509	0.6
123.04417	1.2
124.01520	0.4
125.02309	0.4
126.03138	0.5
133.06464	0.4
135.04387	0.4
137.02336	2.9
137.05963	1.1
138.03125	0.5
139.03891	3.5
147.04381	0.8
151.03845	0.7
153.01823	15.6
153.05391	0.4
161.05968	0.7
163.03902	0.7
165.01837	3.4
166.02614	1.3
167.03413	3.5
167.07022	1.3
170.02081	0.3
171.02940	0.4
171.04422	0.4
175.04045	0.4
177.05481	0.4
179.03391	1.7
181.05023	0.7
183.02925	1.2
189.05481	1.5
191.03346	0.5
193.04959	1.4
193.06718	0.5
195.02863	0.5
199.03934	0.3
201.05470	0.4
203.03455	0.5
205.05003	1.6
206.05708	1.7
207.02901	0.6
207.06454	0.4
208.03668	1.5
210.01552	0.5
215.03523	0.4
216.04240	1.4
217.04955	5.9
219.02879	10.0
221.04263	0.3
227.03407	0.6
229.05060	0.4
231.06570	0.5
233.04431	3.8
234.05206	1.5
241.04994	0.5
243.02887	1.9
244.03699	3.5
245.04445	8.4
245.06735	0.3
247.02229	0.7
248.12756	0.3
255.02927	1.0
259.06085	1.6
261.03934	2.6
264.36383	0.3
272.03107	0.8
273.03943	6.1
277.04181	0.4
277.06995	1.6
287.05475	2.6
289.03445	4.7
290.04205	3.5
300.02658	0.7
301.03397	11.1
301.06717	0.7
302.03775	0.4
304.05872	1.1
315.05130	0.6
315.09119	0.4
318.03705	16.4
319.03821	0.3
333.06030	100.0
334.06381	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35926	2.5
50.55464	2.5
51.07230	3.6
56.96558	4.9
58.53960	2.7
66.85323	2.5
71.57069	3.5
111.66495	3.0
116.98663	3.2
135.35277	2.5
176.97377	3.2
177.00952	34.8
179.00687	3.3
181.91409	2.9
197.01503	4.9
201.00938	19.8
203.00763	3.7
215.00543	6.1
215.02495	50.5
216.02718	3.8
218.98691	7.0
219.02011	70.1
220.02209	4.6
221.01822	7.6
227.02487	3.7
233.00079	4.6
233.03569	100.0
234.03802	3.6
236.99524	7.9
243.01947	14.2
245.03607	13.1
251.01302	3.2
260.99658	10.7
261.03073	7.8
263.04688	20.2
273.02988	3.6
291.00955	5.8
291.04120	58.7
291.51910	3.0
292.04031	5.3
305.60220	3.0
309.01730	6.1
309.05051	9.6
314.05478	4.5
315.04190	3.3
333.05069	11.8
351.06445	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	333.024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.0
56.05008	1.7
56.96540	0.7
67.01853	0.7
67.05480	0.5
67.22696	0.5
68.99776	2.2
69.03439	1.1
72.04494	1.0
72.08139	1.2
74.02419	0.6
74.06038	1.6
76.05117	2.8
77.03178	0.5
79.05447	0.7
83.04979	0.6
84.08125	1.8
85.02868	0.7
86.09683	1.6
91.05462	1.1
93.07059	0.7
95.01323	14.2
96.05600	2.1
97.02854	1.0
98.98454	6.6
101.07071	0.5
102.05529	0.6
107.01297	0.6
107.04900	1.4
109.02824	0.6
110.07153	0.6
111.00793	0.6
111.04311	0.6
114.06614	2.5
118.05024	0.8
119.04977	1.0
120.08070	0.9
121.02828	1.2
123.04388	0.9
125.02364	1.0
128.10709	0.6
129.10242	1.0
130.06514	0.5
131.04906	0.6
133.02768	0.8
135.04372	1.2
135.07664	0.8
137.02332	1.3
137.05923	0.6
139.03894	5.3
139.11163	1.9
146.05980	1.3
147.04393	3.1
149.05969	0.7
153.01808	6.3
157.02954	0.5
159.09149	0.6
160.07169	0.5
161.02284	2.8
163.03935	3.6
165.01854	0.8
165.05455	5.3
167.07196	0.5
173.12836	1.4
175.03903	1.4
177.05460	0.8
177.09807	1.3
179.03394	1.8
179.07024	0.7
180.03648	0.9
181.03795	1.2
187.03868	1.2
188.07069	2.1
189.01819	1.1
191.03358	2.9
193.01320	6.0
203.03381	55.5
204.03720	1.0
205.04936	1.0
207.06517	1.5
214.15338	1.1
215.03423	1.3
219.02951	1.6
229.67165	0.7
231.02870	67.3
232.03215	3.0
232.16539	1.0
233.04482	4.5
243.02882	0.5
249.03848	1.3
259.02374	21.1
260.02869	0.5
261.03854	2.5
274.13980	0.6
287.01840	100.0
288.02145	3.5
303.05045	0.8
305.02924	2.0
315.20276	2.4
333.02383	55.4
333.09247	1.5
333.21329	5.0
334.02789	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	332.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.8
55.05514	4.2
56.05036	5.3
57.03421	0.6
57.07084	1.1
58.34735	0.7
60.04526	100.0
61.04879	0.7
67.05499	11.5
68.05019	0.8
69.07063	4.1
70.06586	0.7
70.43410	0.6
70.70818	1.8
71.04990	0.6
71.64627	0.6
72.04520	2.1
74.06070	1.9
79.05498	5.6
80.05027	1.1
81.07056	9.6
82.06584	2.2
83.08624	1.9
86.06100	1.0
90.05566	1.8
91.05478	4.0
93.07040	4.4
94.06567	2.5
95.04971	1.0
95.08602	8.5
95.50306	0.6
98.98463	10.1
105.07036	2.6
107.08583	2.9
109.10159	3.7
119.08588	2.2
120.08129	0.8
120.71400	0.7
121.06502	1.2
121.09401	0.6
121.10124	3.3
122.09665	0.8
123.11680	1.6
129.06969	0.7
131.08574	2.4
133.10190	1.0
133.76172	0.6
135.11711	2.1
145.10112	1.1
151.07562	2.2
161.13292	0.7
165.09097	1.5
176.99043	0.7
201.95177	0.7
248.23888	0.8
260.23779	2.5
266.24890	1.3
278.24771	6.4
296.25836	13.6
314.26877	14.5
325.16193	0.6
332.11899	1.3
332.27942	47.7
333.28250	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01891	0.7
55.05518	3.0
56.05041	4.2
56.83714	0.6
57.07082	1.1
58.49374	0.6
60.04525	100.0
65.06736	0.6
66.19219	0.6
67.05502	10.0
69.07082	3.7
70.06588	1.0
70.65209	2.5
72.04517	1.6
74.06087	2.7
79.05497	6.1
80.05011	1.1
81.07051	11.3
82.06590	1.7
83.08631	1.8
86.06072	0.8
87.80931	0.8
90.05576	1.1
91.05476	5.1
93.07067	5.7
94.06582	0.9
95.05004	1.0
95.08612	7.6
96.08115	1.1
97.10123	0.8
98.98470	9.4
105.07039	3.1
107.08610	2.1
109.10174	3.0
112.07594	1.0
112.92236	0.7
119.08624	1.8
120.08118	0.8
121.06506	0.9
121.10142	2.0
123.11678	1.1
131.08514	1.5
133.10133	0.8
135.11713	2.3
137.06104	0.8
147.11757	0.9
149.06017	0.9
151.07544	3.3
161.13310	1.1
165.09132	2.3
169.01262	0.9
177.09116	0.9
205.19614	0.8
225.74854	0.7
260.23785	2.8
266.24930	0.9
278.24829	6.8
281.07559	1.3
290.08221	0.8
296.25824	13.2
314.26926	15.3
332.12177	0.9
332.27930	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	332.218
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05015	1.8
56.96553	2.3
60.04524	23.7
61.80116	0.8
67.05511	1.0
69.03422	1.1
69.07063	7.5
69.51826	5.8
70.06591	1.9
72.08163	1.1
79.05471	1.2
84.04496	1.6
84.08154	1.5
86.09708	89.1
87.05602	11.2
93.07056	1.2
95.04985	1.0
95.08628	0.9
98.20718	0.9
98.97563	1.8
98.98463	18.6
105.06568	2.4
107.04955	16.5
110.09657	1.0
116.98627	2.0
116.99451	0.9
120.06591	0.9
121.06503	0.9
123.04400	1.1
128.10728	12.1
128.98601	1.6
131.04889	1.1
132.10222	4.2
133.06496	8.0
134.99663	1.4
137.06009	1.3
139.03886	2.2
142.42522	0.9
146.99661	1.0
153.01819	1.6
153.12743	1.1
154.12271	0.9
165.05475	3.4
173.12863	100.0
174.13126	0.9
176.99004	1.0
179.03415	3.5
180.03709	2.5
184.05632	1.5
193.06256	1.7
199.28870	0.8
201.12343	17.5
219.02100	1.0
219.13359	3.4
221.04776	1.7
229.04482	1.0
237.02826	2.2
239.05945	0.9
244.11696	1.7
254.99364	1.0
272.11090	1.9
287.01740	0.9
300.05859	1.0
304.13809	1.5
314.11847	0.9
317.06161	1.4
332.08340	8.8
333.02325	1.7
333.06000	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2178
Annotation	Ser Leu Leu
Peak:m/z	Relative Intensity
56.05027	0.9
56.96563	1.3
60.04525	20.6
61.56694	0.8
67.05499	2.8
69.03424	2.2
69.07059	3.0
69.35893	0.8
69.93945	4.5
70.02948	0.9
71.66880	0.8
72.04510	1.4
79.05488	2.2
79.76852	0.8
81.07050	2.9
82.07365	0.8
84.08149	1.0
86.09705	83.9
87.05588	14.8
91.05489	1.9
93.07047	2.4
95.04955	2.3
95.08591	1.8
97.06512	0.9
98.20907	1.4
98.98467	15.5
105.07039	1.5
107.04955	1.0
107.08591	4.8
119.08558	2.5
121.10149	2.7
122.02715	2.1
127.03935	1.3
128.10698	8.9
129.84898	0.8
132.10219	5.8
135.11670	2.0
137.09612	1.1
138.97832	0.9
145.10133	2.0
153.01787	1.2
157.07671	1.2
163.11209	3.6
165.12723	0.8
167.97675	0.8
173.12863	100.0
175.11028	1.0
179.03403	1.9
180.03763	2.7
181.12279	2.1
183.09206	1.7
195.03090	0.9
201.12337	22.6
227.12770	2.0
229.09825	0.9
245.18607	2.8
300.36145	0.9
332.08481	1.1
333.14386	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1339
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
56.75927	0.6
57.03446	1.0
57.86876	0.6
61.02917	1.6
65.03938	1.4
67.05510	3.1
69.03426	5.2
70.60667	0.8
70.61014	1.7
73.02910	2.2
79.05505	0.9
81.03413	2.0
81.07042	1.2
85.02901	7.2
87.04452	1.3
87.42050	0.6
91.50751	0.6
93.05795	1.1
96.08102	0.7
97.02887	2.9
106.06551	4.5
108.08115	100.0
109.02908	1.1
109.08466	1.2
112.41555	0.6
123.06801	4.1
124.07595	16.1
127.03915	1.2
134.06018	9.1
136.07581	13.5
152.07063	71.1
153.07475	0.9
154.08636	2.0
169.82790	0.7
170.08134	8.4
178.04996	1.1
181.07484	0.7
216.94949	0.6
314.12323	43.9
315.12402	1.5
332.13394	42.4
333.13892	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	2.4
69.03413	1.3
70.06573	1.8
71.58173	1.9
72.50362	0.9
80.12159	0.9
80.93573	0.8
82.06568	1.2
84.04487	1.0
84.07750	0.9
84.08154	8.3
85.02905	2.2
86.09691	4.8
95.01112	1.2
96.01858	1.1
98.97542	1.4
98.98467	22.7
108.08118	3.2
109.02865	1.2
113.02123	1.2
116.98617	2.1
123.04368	1.1
124.07621	1.0
127.03893	0.9
129.10231	2.0
139.03830	1.3
140.06992	1.7
146.05994	1.0
148.99748	0.9
149.57687	0.9
152.07065	3.2
153.25870	0.9
155.08130	1.1
157.07576	1.8
158.07961	1.2
163.03813	1.5
166.08633	1.1
169.04893	1.6
170.07945	2.7
176.98914	1.3
180.06531	2.0
181.05011	1.1
189.04366	4.0
190.05002	2.8
191.05342	4.3
201.03795	2.2
203.10133	1.1
207.05371	2.9
231.05357	2.3
233.32097	0.9
234.99126	1.4
249.06519	1.6
277.39700	1.1
286.11682	1.1
287.05081	1.0
314.12543	2.3
314.16922	2.9
332.13174	100.0
333.08429	2.4
333.13593	1.2
351.09589	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
56.96560	1.2
57.03430	1.8
61.02921	2.1
65.03928	1.6
67.05498	2.8
67.46490	0.6
69.03426	8.9
70.19035	2.6
73.02916	3.1
79.05492	1.9
80.04996	0.8
81.03410	2.7
81.07045	1.0
81.92430	0.6
85.02901	11.4
87.04454	2.0
96.08116	1.0
97.02877	5.6
97.45760	0.6
98.21420	1.0
98.97570	1.0
99.04440	1.0
100.07578	0.7
106.06551	4.0
108.08115	100.0
109.02914	1.5
109.08453	1.3
116.11909	0.6
119.01913	1.7
123.06818	4.1
124.07586	16.9
124.42384	0.6
127.03891	3.0
133.03436	1.4
134.06004	12.0
136.07564	13.9
145.04924	1.4
152.07059	64.0
153.07460	0.8
154.08636	2.3
161.02991	2.0
161.05533	2.0
161.55695	0.8
169.04381	0.8
170.06291	3.1
170.08124	6.9
170.09428	1.0
170.56247	0.8
175.04568	0.7
177.00838	0.6
177.06058	1.1
189.05644	0.7
203.04030	0.8
219.07158	1.8
221.05069	1.0
231.07074	1.2
242.08174	1.0
277.70621	0.7
314.12329	32.8
315.12747	1.8
321.10297	3.7
332.13400	39.6
333.13724	1.1
339.11176	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52493	1.6
65.30168	1.9
67.05466	5.0
68.99750	2.9
69.03413	3.8
70.06593	3.2
71.49586	3.3
79.05470	3.3
80.44813	1.7
81.03414	2.0
82.06539	1.9
83.04960	1.8
84.04487	5.4
85.02863	1.6
86.09676	2.0
91.05470	4.8
95.04947	3.3
98.06042	1.8
98.19334	1.7
98.98468	12.4
107.04914	3.1
109.02880	2.7
110.06030	4.5
111.04413	6.1
115.05440	2.1
118.06499	5.5
118.65246	1.8
119.04933	8.4
120.08075	1.9
121.02816	3.1
121.06470	2.1
123.04420	68.2
124.03938	3.6
124.07561	3.0
126.05489	2.2
126.99539	1.7
127.03868	5.1
131.04910	2.8
134.05969	3.0
135.04402	6.0
136.03889	1.7
137.02217	2.7
138.05515	10.0
139.03900	41.8
140.07108	2.5
146.05997	3.3
147.04399	21.5
149.02312	2.8
149.05977	3.4
150.05447	2.5
151.03888	5.4
152.07056	14.4
153.01762	9.7
153.05569	1.6
156.06422	2.1
161.05954	2.9
162.05424	2.5
163.03909	21.0
163.58469	1.8
164.07053	16.9
165.05464	11.3
166.05061	2.3
166.08636	3.7
167.03354	3.0
168.06511	11.8
176.07062	2.3
177.05405	5.6
179.03313	2.2
180.06554	100.0
181.05002	1.8
181.06847	2.9
182.08095	10.4
188.07062	4.7
189.05373	2.0
192.06473	4.1
194.08110	18.0
195.02806	3.4
210.07571	4.9
213.05508	2.3
225.02280	2.1
259.06030	2.0
314.10168	5.1
315.08405	4.5
332.07764	6.4
332.11197	77.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31452	1.1
56.05040	8.8
57.05368	2.8
67.05505	1.2
68.16000	1.4
68.99789	1.6
69.03413	5.4
70.06559	1.7
70.74146	3.6
74.06070	6.8
75.06402	2.0
75.58987	1.2
77.03883	1.4
79.05488	1.9
83.04969	1.1
84.04517	7.7
84.08147	2.1
85.02892	1.8
86.09707	3.0
91.05482	1.9
93.03411	1.5
95.04958	3.5
97.02910	1.0
98.98460	7.6
100.43892	1.2
107.04941	2.8
109.02798	1.7
110.06023	2.9
111.00488	1.2
111.04441	3.9
119.04919	5.3
120.06557	3.2
120.08110	2.3
121.06922	1.3
121.08451	1.6
121.98367	1.2
123.04428	55.6
124.03933	2.9
126.05518	2.0
131.04971	2.0
134.05957	2.5
135.04439	6.6
136.07552	2.1
137.05997	1.6
138.05513	10.4
138.35403	1.2
139.02818	1.5
139.03905	28.6
140.07021	2.4
140.13130	1.2
146.05995	3.8
147.04404	16.6
148.07632	1.4
149.02370	1.4
149.05965	1.3
150.05479	1.5
151.03889	4.5
152.07062	17.3
153.05472	1.4
156.06570	2.0
159.04338	1.9
161.05994	1.8
162.05515	3.2
163.03891	15.3
163.06145	1.8
164.07068	16.2
165.05484	11.8
166.04950	4.1
166.08615	3.2
168.06554	10.1
176.07108	3.3
177.05492	1.8
179.03421	1.4
180.06557	100.0
181.05038	1.9
181.06773	2.7
182.08107	11.6
187.14357	1.4
188.07024	2.0
192.06541	4.6
194.08131	11.9
203.03363	2.0
204.06281	1.3
210.07585	4.0
231.02882	3.1
249.78903	1.3
287.01740	6.5
287.08939	1.3
297.07446	1.8
314.10211	5.1
315.08661	3.2
332.11264	67.2
333.02457	3.5
333.11652	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.188
Annotation	Carnosol
Peak:m/z	Relative Intensity
55.41415	0.6
69.54869	1.1
69.55275	4.7
78.27651	0.5
87.04446	0.8
88.07620	0.7
91.05481	0.7
98.17182	0.6
98.20768	1.1
98.98470	31.5
101.05991	2.1
102.06318	0.8
116.99506	1.3
141.07004	0.6
141.50342	0.6
144.41855	0.7
150.20746	0.8
152.80290	0.6
174.99301	1.1
176.98927	1.8
187.48381	0.6
216.16158	0.7
257.26889	0.9
313.17596	0.9
331.18820	100.0
331.29947	3.9
332.19159	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	331.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	12.9
57.03434	6.2
57.07075	90.7
67.05503	22.3
69.07059	13.6
70.26552	10.8
71.08241	4.0
71.08627	55.3
81.07059	33.9
83.08598	21.1
83.47610	3.1
85.10180	34.2
85.91298	3.1
95.08054	4.2
95.08607	49.5
97.10163	14.1
98.98463	100.0
103.07589	4.0
103.83686	3.0
107.45168	3.1
108.26171	3.0
109.10153	20.7
111.11759	4.2
116.99510	4.9
122.08447	3.1
123.11707	9.1
137.13214	5.0
163.35365	3.1
176.98946	6.7
239.23640	11.9
257.24857	6.8
313.27356	50.2
331.34045	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	331.284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69766	3.6
55.05500	11.4
57.03424	11.3
57.07076	100.0
58.07409	4.2
67.05499	19.7
68.20156	3.9
69.07056	17.5
70.06585	12.8
71.06857	4.3
71.08630	68.9
80.31718	3.3
81.07062	29.4
83.08618	33.9
84.58814	3.8
85.10191	36.0
88.07634	13.6
89.07920	4.3
95.08603	54.5
97.10164	13.3
98.21518	8.2
98.98465	81.0
106.08649	5.1
109.10175	22.7
123.11703	11.8
130.73604	3.7
137.13261	5.1
157.64859	4.2
176.98956	5.1
226.73589	4.0
228.87779	3.6
239.23711	14.2
257.24637	4.3
313.27341	37.6
313.32886	6.3
331.34021	82.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25742	1.3
55.01883	1.5
55.05490	2.8
57.03419	1.3
65.03937	1.7
67.05495	2.1
69.03433	1.5
69.07046	2.1
69.94958	6.3
79.05476	3.3
80.19862	1.4
81.07041	3.3
83.04984	3.9
84.08142	1.9
85.02888	1.8
91.05480	16.9
94.04221	2.5
95.04965	5.0
95.53833	1.4
97.02925	2.0
98.20803	2.0
98.98468	100.0
100.98872	2.4
103.05459	3.2
105.07026	3.5
107.04955	3.8
107.08652	1.6
109.06506	2.1
109.10188	1.5
111.04466	2.7
113.48425	1.4
114.94606	1.3
115.05452	2.2
116.98715	1.8
116.99505	5.1
119.04958	10.8
121.06524	5.8
122.03662	2.3
123.04461	3.9
129.06999	8.7
130.06537	16.4
131.04953	4.7
132.04457	3.9
135.08044	3.3
136.05197	1.7
137.05980	42.6
145.06534	3.2
148.05212	1.7
149.05977	5.9
150.09097	1.9
151.03914	3.0
151.07549	47.6
151.09447	3.0
152.06187	2.8
153.01849	4.5
153.05533	2.2
153.07025	2.0
157.06447	3.7
157.07616	29.0
158.06000	5.9
159.09135	2.0
161.05989	7.9
161.09651	3.3
163.03937	1.6
163.07495	10.1
165.06981	6.0
165.09091	2.6
166.07762	2.4
167.07195	2.5
167.08574	8.6
174.06653	3.2
174.99265	2.8
175.08728	7.2
176.98938	4.4
177.05550	1.8
177.08990	1.5
178.07774	2.6
179.03386	8.9
179.08572	2.1
181.06512	3.2
182.07254	3.2
185.07089	2.0
189.09125	15.0
192.09262	1.6
193.06573	2.7
193.10118	3.1
195.08044	11.7
197.05969	2.7
203.08186	11.2
207.10191	2.4
210.06750	5.4
211.07544	2.3
212.08284	1.9
221.05980	5.1
221.09639	5.6
223.07558	5.7
224.08377	1.4
225.09048	5.0
227.07321	2.3
227.10648	14.3
231.08298	1.5
240.07758	2.5
249.09109	3.1
253.08617	8.0
253.12279	9.6
255.10109	16.0
267.10526	2.4
269.08075	3.2
271.06049	2.4
281.11591	2.0
285.07922	1.6
285.11118	7.5
287.12793	17.4
299.05798	1.9
313.14545	3.7
331.08069	9.3
331.12009	6.7
331.17133	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	100.0
66.23150	1.1
67.05489	2.6
69.84860	5.6
74.02422	3.8
74.06078	89.6
79.05476	4.0
80.05006	1.8
81.03412	1.6
81.07058	7.4
82.37363	1.1
84.04515	3.3
86.09702	1.2
91.05484	1.5
93.07018	1.3
93.68486	1.0
94.06570	2.4
95.04993	1.4
95.08617	3.7
98.98457	26.4
102.05528	10.6
103.76330	1.2
105.07037	2.2
107.04958	2.4
111.04470	1.6
119.04923	2.1
120.06582	38.5
120.08060	22.5
122.09673	11.1
122.77464	1.1
123.04431	13.4
124.04779	1.6
138.05513	2.6
138.09140	1.8
139.03909	7.4
147.04427	4.6
148.07466	1.3
149.08363	2.6
149.11121	1.1
150.09123	3.1
151.03903	2.3
152.07083	1.6
163.03893	1.9
164.07094	2.0
165.05450	1.4
166.08641	4.2
168.10237	3.5
171.08025	1.3
174.99255	1.5
176.98918	1.8
179.03435	3.4
180.06551	16.7
182.08163	2.1
184.09720	1.1
190.04939	1.5
194.08203	2.5
203.89503	1.2
215.06773	1.0
267.13388	4.5
270.13217	1.3
313.13910	4.0
316.99573	1.1
331.10553	1.5
331.14960	8.6
332.11304	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	331.1537
Annotation	2',3'-Dihydro-jatamansin
Peak:m/z	Relative Intensity
54.26836	1.0
55.05493	3.0
57.07057	1.9
67.05511	8.7
68.68662	0.7
69.07053	1.3
69.74650	0.8
70.49836	2.5
71.04994	1.5
79.05454	0.7
81.07043	1.3
83.04979	1.2
85.06545	6.5
88.28117	0.7
88.33633	0.8
88.48724	1.0
91.05466	3.6
91.09074	0.8
95.04960	0.8
95.08611	1.7
98.98463	100.0
100.98874	1.8
105.07043	1.3
116.99517	6.3
119.04921	1.2
123.08075	0.9
124.41350	0.7
131.04901	3.0
131.08600	0.9
140.01065	0.9
145.10120	1.6
147.04407	6.0
159.04411	2.5
163.03914	0.9
171.04332	1.1
174.99207	2.4
175.01549	2.8
175.03903	34.7
176.98900	6.1
177.05461	5.3
179.03436	1.6
182.22607	0.9
187.03903	6.9
189.05508	4.3
199.03906	3.0
201.05440	2.6
203.03383	2.0
203.06975	1.6
213.05472	1.8
215.06923	2.3
226.06235	1.0
229.08574	11.3
231.10124	6.8
241.08612	9.2
243.10159	7.0
244.78789	1.0
245.08217	0.9
247.09654	13.3
253.08664	1.9
259.09592	6.4
313.14197	5.4
316.04910	0.9
331.18768	32.4
349.18329	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
53.49014	0.7
55.01876	0.8
55.93539	0.8
56.05035	100.0
56.96571	0.8
57.05349	0.8
67.05506	2.1
68.99754	0.8
69.03426	1.4
70.06597	0.9
70.81944	0.7
71.09555	1.4
71.09891	1.4
72.04532	1.1
74.02440	5.2
74.06079	87.8
75.06419	0.8
79.05495	4.2
80.05029	2.9
81.07060	9.7
84.04524	2.5
84.08146	1.9
85.02919	1.2
86.09722	0.7
91.05492	1.1
93.07050	1.2
94.06596	2.9
95.04983	2.0
95.08610	4.2
95.98706	0.7
98.98465	55.5
100.98911	1.7
102.05541	10.1
104.64021	0.7
105.07059	3.1
107.04967	1.8
111.04485	0.7
116.99551	2.6
118.06527	0.9
119.04907	1.4
120.06587	38.7
120.08083	25.3
122.09673	13.5
122.10491	1.1
123.04430	8.2
124.04783	2.3
129.10231	1.3
130.05052	0.9
130.93320	0.7
133.06572	1.0
138.05502	1.3
138.09160	1.1
139.03886	3.9
147.04428	1.7
148.07529	1.5
149.08400	2.4
150.09175	2.5
151.03908	1.7
152.07053	1.8
153.01845	2.0
163.03952	2.1
164.07172	1.4
165.05453	1.2
166.08641	4.9
168.10248	4.9
174.99294	1.4
176.98912	3.7
179.03410	7.6
180.06528	7.8
181.33614	0.8
190.05132	1.0
194.08052	1.5
205.13359	1.2
212.09306	1.1
230.10233	1.0
230.89491	0.8
241.82268	0.8
251.14163	1.3
267.13345	7.6
269.14740	0.9
295.12903	1.8
313.14056	5.2
331.04379	0.9
331.15067	10.0
332.11307	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	331.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.9
55.05522	1.1
56.05035	100.0
64.76577	0.9
67.05495	2.3
69.27761	12.3
74.02438	2.7
74.05656	1.8
74.06076	29.1
79.05498	8.3
80.05016	4.4
81.07056	15.1
82.06586	1.1
84.04491	2.0
85.02906	1.5
91.05455	1.0
93.07032	1.4
93.59148	1.0
94.06557	3.7
95.04939	1.5
95.08591	4.5
95.42848	0.9
98.98466	25.9
102.05538	8.5
103.05441	1.2
105.07021	6.0
107.50015	1.2
120.06666	9.2
120.08099	40.0
122.09673	18.4
123.04420	1.8
138.09119	3.5
139.03937	1.6
143.03433	1.0
150.09116	3.7
153.01790	1.3
166.08690	4.0
168.10246	3.1
174.99153	1.2
176.07042	1.1
180.06537	1.6
205.13347	2.0
212.09113	1.4
230.10242	3.2
251.13878	3.1
267.13440	12.7
295.12784	3.6
313.14026	7.7
331.15100	12.0
332.11188	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01399	1.2
50.49974	1.4
51.00166	1.3
57.33435	1.6
64.29632	1.4
66.94656	1.4
67.05514	2.0
69.03433	2.3
69.07067	2.7
70.24243	5.3
79.05482	3.4
81.07042	7.3
83.06097	3.3
83.08615	2.3
85.02905	4.5
91.03336	1.6
91.05486	4.0
93.07019	2.1
95.04931	2.4
97.06563	2.2
98.20840	1.7
98.98465	100.0
105.07063	2.0
107.04954	3.2
107.08593	1.5
109.06507	1.5
116.99498	5.4
119.04974	1.8
124.07596	1.6
129.06664	4.9
135.04395	1.7
137.02351	2.7
137.05939	7.2
140.07072	3.1
149.05920	1.5
151.07521	5.5
151.08681	5.0
151.11197	1.6
157.06682	2.5
162.05524	2.7
163.03929	1.5
163.07536	3.2
164.07085	1.7
167.03392	5.4
167.08788	1.8
169.08357	5.4
169.09750	13.3
172.03915	3.7
174.99327	3.1
176.98923	5.5
179.03415	3.8
185.04250	3.6
189.09207	2.0
190.04979	9.1
195.02908	2.6
200.04747	1.8
203.05244	18.2
206.02084	2.9
219.06525	2.1
223.07527	3.8
224.03200	2.2
227.06958	1.7
227.10518	1.9
228.04202	4.5
233.05965	2.1
239.03462	5.5
243.06537	5.9
271.05936	5.6
284.03192	2.4
285.07742	2.2
285.11523	2.1
287.12723	1.6
299.05548	7.3
313.11575	2.7
316.05771	6.4
317.51788	1.7
331.08139	44.0
331.13614	93.3
332.13605	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.6
60.50007	0.5
65.03954	0.8
67.05507	2.8
68.04993	0.8
69.07074	3.8
69.58537	4.9
79.05492	0.9
80.04996	1.0
81.07071	0.6
93.05774	0.7
94.06561	14.3
95.04942	1.8
96.04461	0.9
98.98466	9.3
108.08109	1.7
110.06023	2.9
112.07571	2.0
115.26230	0.7
116.04987	3.9
118.06538	1.3
120.04478	0.9
122.06024	24.8
123.04424	1.4
134.06004	1.5
140.07065	37.3
141.07813	2.4
144.04446	8.7
146.06009	13.8
146.07112	1.3
148.03972	1.3
148.07578	6.1
162.05492	5.0
172.03937	27.3
172.05444	1.3
174.05513	1.4
179.03374	0.5
190.04987	100.0
191.05431	2.0
192.06551	7.3
198.51700	0.6
258.48026	0.6
285.12656	0.9
286.10837	1.6
313.11819	4.1
331.12918	7.3
332.13123	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68263	1.1
58.99583	1.8
59.81141	1.2
67.05500	3.9
69.03439	1.8
69.07066	4.9
70.06604	1.6
71.49989	3.1
75.40591	1.1
79.05489	3.0
81.07050	6.0
83.06133	1.6
85.02901	3.0
91.05476	1.7
93.95231	1.4
94.06571	16.4
95.04960	3.1
97.06535	1.2
98.98466	100.0
100.75379	1.1
100.98905	2.5
106.40223	1.4
108.08071	2.6
110.06030	4.1
112.07568	1.5
116.04967	2.7
116.99497	3.8
120.04451	2.7
120.08194	1.2
122.06032	23.4
123.04412	1.9
124.07484	1.5
129.06604	1.6
130.06584	1.5
134.05977	2.8
137.02386	1.3
140.07063	36.6
141.07861	2.8
144.04463	9.0
146.06003	12.6
148.03885	1.6
148.07578	6.6
150.06416	1.8
153.01834	1.9
157.06670	1.4
159.77402	1.2
160.28297	1.1
162.05463	5.8
163.97728	1.3
169.08588	1.9
170.08122	1.3
172.03941	26.1
174.05588	1.4
174.99229	3.8
176.98878	4.8
179.03375	3.9
190.04987	87.4
191.05415	2.6
192.06596	5.3
199.07224	1.3
199.61771	1.2
286.10666	3.4
303.08542	1.3
313.11801	4.1
331.04761	1.9
331.13214	15.3
331.58267	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35969	1.2
53.03923	2.9
55.05508	34.1
57.03429	4.2
57.07079	1.9
63.83091	1.2
69.07032	1.3
69.83035	4.2
69.83443	3.3
70.06588	2.4
81.03397	5.1
81.07044	3.2
82.06581	18.7
83.04984	4.0
83.08611	21.3
84.08112	2.1
86.02028	1.3
91.05450	3.9
91.58079	1.3
97.06507	1.5
98.09693	3.1
98.21471	2.6
98.98466	41.9
99.04449	10.0
100.07644	7.6
100.11251	88.5
101.11565	3.1
105.07011	1.6
107.04940	1.5
109.02869	2.0
110.06050	9.2
111.04426	9.7
112.07581	4.9
115.05473	2.9
117.13897	2.3
118.06539	10.6
119.04945	2.7
121.02708	1.3
123.04399	1.8
124.52802	1.2
126.09148	2.7
127.03888	3.7
127.08693	1.8
128.07072	8.4
129.07042	2.6
130.06520	27.0
132.08078	12.0
135.04372	1.4
137.02321	3.8
137.05972	6.1
139.08629	6.2
140.07080	2.2
141.11464	7.2
142.06491	3.4
143.09761	1.4
144.08086	5.5
145.05006	1.3
146.05995	22.0
147.04430	3.0
149.02321	3.2
151.07497	5.0
153.01814	11.0
154.12325	1.5
155.11232	1.4
156.08098	2.3
159.09177	34.9
163.03941	1.4
163.64365	3.9
164.04707	2.9
165.06973	1.8
166.04970	2.2
167.08505	1.7
168.05649	2.4
169.07622	2.9
170.06027	8.1
171.04309	1.3
174.99152	1.3
175.03903	2.2
176.90123	1.4
179.03397	3.1
180.08102	1.9
181.06299	1.3
182.15404	29.8
184.07565	3.1
185.07130	4.0
187.03934	2.4
188.07060	38.5
189.09026	1.5
193.04991	3.8
195.05620	2.4
195.08087	1.5
199.18050	3.9
200.04675	3.5
203.03374	1.5
204.66527	4.0
205.09692	4.7
206.02121	2.7
208.07669	1.3
209.05708	2.3
209.14650	1.7
209.16501	23.3
210.14893	24.6
210.16736	1.6
211.03845	2.3
211.07541	1.6
213.05312	2.2
214.06139	1.5
217.05081	2.3
218.17010	2.6
218.66249	2.8
221.10774	1.7
225.10258	20.5
226.19133	17.1
227.03357	1.7
227.06947	1.7
227.10588	1.7
227.17534	3.5
227.19527	2.0
228.04211	6.7
229.04745	1.5
239.03441	1.6
241.04991	4.5
242.05678	9.2
243.06461	4.8
249.10304	2.7
253.09706	2.7
255.10190	2.1
256.03644	3.2
258.04916	1.6
267.02893	1.4
267.11285	13.6
269.04376	3.0
270.05222	9.1
270.08282	2.4
271.06021	15.9
271.09720	3.0
273.03879	3.5
281.70148	2.6
284.03177	1.7
285.03970	3.2
285.12338	18.3
287.05475	2.2
287.12881	2.3
295.07297	2.2
295.10834	4.5
298.04770	7.7
299.05551	6.6
301.03418	8.8
301.06662	2.4
308.23212	1.6
309.25229	1.7
313.03510	2.6
313.08173	7.0
313.11789	5.5
315.04944	10.2
316.05698	13.6
316.09109	4.3
326.27991	11.7
331.08105	100.0
331.11740	11.9
332.08582	5.2
336.22986	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1022
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
54.40529	1.5
58.00707	1.9
67.05471	1.7
67.53469	1.6
69.07081	3.3
69.83836	11.9
79.05490	6.1
81.07043	10.4
83.08652	2.3
85.02898	5.4
91.05484	7.2
93.07063	5.4
95.04974	4.4
95.08585	8.7
97.02891	2.6
97.06535	2.5
98.98466	100.0
100.98882	2.8
105.07019	5.9
107.04979	2.2
107.08577	3.8
109.06508	2.4
109.10175	6.0
116.99495	2.6
117.07019	4.6
119.08578	7.4
121.06480	3.1
123.04434	22.1
124.04746	12.4
127.03925	4.6
129.10124	2.1
131.04915	5.2
131.08585	3.8
132.05266	4.3
133.06552	2.3
133.10143	2.1
137.05948	4.6
143.08565	4.7
145.06497	3.4
145.10109	5.4
147.04512	1.9
147.08055	2.0
147.11664	1.9
149.05988	15.7
150.06322	21.8
151.03905	13.0
153.01923	2.2
155.08495	2.7
157.10184	2.5
159.11708	6.3
161.05922	2.6
163.07555	3.0
165.05573	2.6
165.06914	2.1
169.04967	83.1
169.10172	5.6
171.11780	2.4
173.09607	2.5
173.13258	2.8
174.99283	2.2
175.11090	2.1
176.98912	6.8
179.03386	27.5
179.07028	1.7
181.06625	2.2
183.11685	5.9
187.11310	2.5
191.07027	4.0
192.07396	13.4
197.13293	3.2
209.13466	3.0
210.08424	5.9
211.14851	6.8
213.16350	2.3
225.16342	5.9
239.14328	2.5
239.17934	3.9
247.13176	11.3
249.16489	2.2
253.08743	2.6
257.15356	1.7
257.18985	3.9
267.17548	9.2
271.16891	2.3
285.18536	22.9
303.19543	17.6
313.17944	4.6
331.04504	2.0
331.08044	4.3
331.19067	14.5
346.94821	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.5
60.03104	0.8
62.27335	0.9
65.03928	1.8
65.36857	1.0
67.05492	2.6
69.03419	2.6
69.07076	4.8
70.06579	1.1
71.57649	1.6
73.02903	1.2
74.06046	1.1
79.05506	1.3
81.03407	1.3
81.07047	2.0
83.62595	1.0
84.04480	1.2
84.08150	1.6
85.02895	2.0
91.05469	1.3
94.06567	7.4
95.04961	2.6
97.02863	1.5
98.98466	100.0
100.02148	0.9
100.98886	2.1
108.08102	1.5
110.06029	2.9
116.04984	2.7
116.98764	1.4
116.99477	5.0
120.04469	0.9
120.08080	0.9
122.06025	12.9
123.04417	1.5
134.06038	1.1
137.02325	3.1
137.05968	1.2
140.07069	20.8
141.07811	1.1
144.04401	5.9
146.06015	9.9
148.07547	3.0
151.03944	1.0
153.01831	2.3
157.07623	1.7
162.05504	3.3
163.04002	1.3
166.02608	1.8
169.01350	6.0
172.03949	16.7
174.99232	3.3
175.03877	1.1
176.98944	7.1
179.03384	2.3
181.04951	31.6
187.02306	1.3
190.04993	58.8
192.06522	3.3
193.04982	1.2
193.54526	1.0
199.05943	1.0
219.01837	1.3
220.60678	1.0
228.17894	1.1
235.05991	2.1
247.06134	1.2
294.04684	1.1
313.07385	1.8
313.11591	1.6
313.58533	1.1
331.08173	2.1
331.12811	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	331.0809
Annotation	Laxanthone III
Peak:m/z	Relative Intensity
53.21716	0.5
53.22712	0.4
55.01845	0.6
55.05527	0.4
60.12339	0.4
60.31075	0.4
67.05502	0.6
68.99780	1.8
69.03417	0.7
69.44432	1.3
69.44842	2.5
77.60870	0.5
79.05478	0.5
81.03403	1.3
85.02866	0.5
87.24879	0.4
91.05468	0.7
93.07050	0.5
95.04980	0.7
97.06511	0.4
98.12964	0.4
98.21500	1.0
98.98465	25.0
104.84650	0.4
107.04950	2.0
108.02073	0.6
109.02895	0.5
110.03710	0.6
111.04482	0.4
115.05407	0.5
116.99490	1.1
121.02845	0.7
122.03657	0.7
123.04424	2.7
131.04904	1.0
132.04539	0.5
134.03638	1.1
135.00797	0.4
135.04414	1.1
137.02332	10.9
137.05989	1.0
139.07555	0.5
144.05727	1.2
145.06450	0.8
147.04416	1.8
149.02319	2.0
149.06003	0.8
150.03104	4.1
154.02638	0.7
155.04843	0.8
157.06549	0.5
161.05981	0.5
162.03067	0.7
163.03867	1.6
165.01802	0.9
165.05496	0.4
167.06944	0.5
169.01340	0.5
171.04437	2.8
172.05212	0.9
173.05989	1.1
174.99220	1.0
175.03902	3.9
176.98904	1.8
178.02603	3.7
179.03424	2.6
180.04152	1.6
181.04933	0.6
183.04410	0.6
183.08005	0.5
184.05200	2.4
185.05911	0.8
186.03128	1.1
187.03897	4.7
187.07501	1.0
188.04619	0.6
189.05435	1.4
193.01410	1.0
193.04951	13.9
199.03888	1.3
200.04698	8.3
201.05461	3.4
203.03387	7.0
206.02107	10.0
207.02855	1.2
209.00879	2.4
211.03886	9.0
211.07278	0.6
212.04640	1.4
213.05354	2.7
213.93394	0.4
215.03351	1.3
215.06978	3.0
216.04153	1.3
217.04915	1.1
222.69788	0.5
224.03133	0.6
227.03430	1.0
227.06999	6.0
228.04178	6.5
229.04938	4.1
231.02847	1.3
231.06546	3.2
233.08037	0.9
239.03394	9.3
241.04970	0.7
242.05768	0.5
243.06488	11.8
245.04375	0.5
255.02835	1.3
255.06590	0.7
256.03668	1.2
257.04510	2.0
261.07599	6.6
267.02914	6.2
268.03705	1.0
269.04498	1.0
270.05264	0.7
271.05997	22.5
272.06451	0.6
273.03900	2.4
274.86441	0.5
283.02362	1.4
284.03214	4.3
285.03967	4.7
285.07224	0.7
287.05487	0.7
288.06375	0.5
289.07047	1.2
289.12057	0.5
298.04874	2.2
299.05524	8.3
299.08936	0.9
300.05884	0.5
301.03439	14.0
307.10617	1.0
313.08066	0.9
313.11554	0.8
316.05789	8.6
316.09061	0.6
331.08112	100.0
332.08414	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0804
Annotation	5,6,4'-Trihydroxy-7,3'-dimethoxyflavone
Peak:m/z	Relative Intensity
55.01864	0.4
60.04525	0.5
67.05487	0.5
67.92519	0.2
68.99781	1.9
71.04437	0.3
71.04758	0.3
73.38313	0.2
79.05453	0.4
81.07052	0.4
91.05465	1.0
93.07011	0.3
95.04956	0.3
96.77567	0.2
97.02893	0.3
97.06538	0.3
98.98460	10.9
100.98890	0.3
103.05463	0.3
105.03461	0.3
105.07056	0.4
107.04936	0.6
109.02896	0.3
109.10123	0.2
111.00749	0.2
113.18990	0.2
115.05431	0.3
116.99444	0.5
118.06570	0.3
118.31480	0.2
119.04959	1.5
121.02873	1.3
121.06447	0.4
123.04391	1.7
125.05977	0.4
129.07036	0.3
129.19310	0.2
130.06531	1.2
131.04872	0.3
135.04393	0.6
137.02243	0.2
137.05971	0.4
139.03876	0.6
144.05685	0.5
146.06033	0.3
147.04385	0.5
148.29916	0.2
149.02333	15.4
149.05922	0.4
150.03113	0.3
151.03926	0.3
153.01819	34.2
153.05376	2.1
154.02174	0.3
159.09186	0.6
161.05978	0.4
162.03053	0.2
163.03908	0.6
164.04669	6.4
165.05388	0.3
167.03378	0.5
167.07190	0.2
170.02046	0.3
172.05148	0.6
173.06041	0.3
174.99193	0.5
176.98930	0.7
177.05469	0.3
179.03403	2.2
181.04881	0.3
181.06430	0.3
184.05194	0.3
185.07138	0.3
186.03098	1.9
186.46082	0.2
187.03851	0.3
188.07094	0.8
191.03386	0.6
197.05873	0.3
199.03920	0.5
200.04677	5.5
203.03366	4.6
203.05200	0.4
205.04956	3.2
211.03923	0.4
212.04713	0.3
213.05432	0.7
216.04260	0.3
217.04916	2.1
227.03352	1.3
227.06943	0.3
228.04153	16.3
229.04680	1.2
231.02861	10.1
232.03600	0.2
239.03346	1.5
240.04228	0.5
241.04932	0.8
242.05722	0.6
243.06398	1.9
244.03680	0.3
245.04428	2.5
253.05005	0.3
255.02798	1.3
256.03653	11.5
257.04370	1.0
258.05200	0.3
267.02859	0.2
267.11374	0.3
269.04535	0.5
270.05426	0.6
271.05994	10.3
273.03912	9.2
275.09106	0.7
283.02283	0.8
284.03131	7.2
285.03934	3.2
285.07190	0.4
285.12640	0.3
287.05460	0.5
288.06253	1.1
298.04514	0.3
299.05472	11.2
300.05884	0.4
301.03409	34.2
302.03851	1.3
303.08710	1.4
310.00586	0.2
313.07996	0.6
313.11465	0.4
315.04993	2.0
316.05746	20.8
317.06113	0.3
331.08090	100.0
332.08444	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	331.0811
Annotation	Apometzgerin
Peak:m/z	Relative Intensity
52.83788	0.4
55.01859	0.5
55.05518	0.4
56.96560	0.8
57.03426	0.5
65.92168	0.3
67.05510	0.5
68.99804	0.6
69.27441	4.1
79.05495	0.9
81.07056	0.7
83.08635	0.4
85.02911	0.4
91.05469	1.2
93.07033	0.5
94.89657	0.4
95.04980	0.6
95.08595	0.4
97.02874	0.5
98.98468	23.4
109.06543	0.4
111.04467	0.8
115.05453	0.4
116.98699	0.4
116.99503	1.4
119.04915	0.7
119.08537	0.3
123.00801	0.5
123.04462	1.0
131.08583	0.4
133.02832	0.5
133.10098	0.5
135.04463	0.6
136.01639	0.4
137.05951	1.3
139.03886	0.7
145.09991	0.4
145.70152	0.4
147.04349	0.4
147.11653	0.4
149.01196	0.6
149.02290	0.6
149.06015	0.5
150.03123	6.3
151.03877	0.8
151.07515	0.5
152.01068	0.8
153.01839	1.4
153.05510	0.6
153.07039	0.5
157.06465	0.5
163.03893	0.4
164.04724	0.4
165.05586	0.4
165.06917	0.6
167.03418	12.3
168.05702	0.5
171.04343	0.4
171.11739	0.4
174.99226	0.5
176.98936	1.4
177.01881	0.5
177.05403	0.5
178.02591	0.4
179.03394	1.3
181.04970	0.4
181.06511	0.7
183.04439	0.5
183.08044	0.7
184.03647	1.2
184.05086	0.7
185.05977	0.7
191.03426	1.2
195.07939	0.4
197.05957	0.8
199.03871	0.4
200.04752	1.1
201.05569	0.8
203.03540	0.4
209.05670	1.0
210.06818	0.5
211.03920	1.0
211.07573	0.7
212.04713	0.5
213.05484	1.3
214.06259	1.2
215.07039	0.6
217.04987	0.7
217.08543	0.4
225.05382	0.6
227.03439	0.9
227.07072	1.5
228.04092	2.0
228.07684	0.6
229.04941	0.7
231.06543	1.1
231.24419	0.4
238.06384	0.5
241.05046	1.8
242.05731	7.9
243.06522	4.5
245.04401	0.7
250.09630	3.2
250.59340	0.5
254.05678	0.7
255.02892	0.8
255.06465	0.7
256.03723	0.8
256.07181	0.5
257.04346	0.8
258.05197	3.5
259.05984	0.8
269.04407	1.0
270.05240	9.1
270.08221	0.6
271.06030	4.5
271.09406	0.6
273.04019	2.2
275.09308	1.3
282.05127	0.9
283.05865	0.8
284.03210	1.1
285.03970	1.1
285.07611	2.7
286.04669	0.8
287.05447	3.8
298.04730	1.0
299.05585	3.9
299.08847	0.5
301.03348	1.4
302.04175	2.5
313.03384	1.7
313.07040	2.2
313.10269	0.4
315.04980	31.9
316.05771	11.1
316.09045	0.9
325.10785	0.4
331.08130	100.0
331.11621	6.7
332.08435	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	331.081
Annotation	5,6,4'-Trihydroxy-7,3'-dimethoxyflavone
Peak:m/z	Relative Intensity
53.03946	0.3
55.01865	0.5
55.05517	0.4
57.03418	0.4
60.27145	0.3
65.03928	0.3
67.05505	0.5
68.99802	0.6
69.07079	0.3
71.58817	0.5
79.05488	0.5
81.07066	0.6
83.04980	0.5
83.69281	0.3
85.02914	0.5
91.05475	0.8
93.07045	0.4
95.04960	0.8
96.02113	0.5
97.06529	0.4
98.98466	28.1
100.11237	0.3
100.98879	0.5
105.03403	0.6
105.07050	0.8
107.04968	0.7
111.04456	2.5
116.99505	1.0
117.07069	0.3
119.04959	0.5
121.06488	0.5
123.00769	0.5
123.04414	1.4
133.02841	0.7
134.03644	0.7
135.04398	3.8
137.02368	0.4
137.05978	1.3
138.03111	0.6
139.03909	2.8
141.06984	0.5
144.05669	0.5
149.02336	1.3
149.06015	0.6
150.03128	4.2
151.03896	1.0
152.01077	1.2
152.06169	0.4
153.01816	0.8
153.04318	0.3
153.05476	1.4
153.06906	0.4
154.06250	0.5
155.04929	1.0
157.06453	0.5
160.56097	0.4
161.05962	0.4
162.03162	0.7
163.03896	0.5
164.01035	0.3
164.04707	1.1
165.05571	0.8
165.07018	1.0
167.03404	19.9
167.07104	0.6
168.03734	0.3
168.05682	0.5
169.01309	0.5
169.06468	0.7
171.04376	0.5
172.05206	0.4
174.99254	1.0
175.04048	0.4
176.98930	1.8
177.01839	0.8
177.05438	1.7
179.03418	2.7
181.05008	0.4
181.06517	0.9
182.07268	0.3
183.04431	0.9
183.08017	0.9
184.03682	1.9
184.05141	0.6
185.05980	0.4
186.03195	0.6
187.03986	0.5
187.07550	0.8
190.06354	0.3
191.03391	4.8
193.04985	0.4
194.02168	0.4
196.05228	0.6
197.05960	1.1
199.03848	0.4
200.04675	2.7
201.05470	0.9
202.02686	0.3
203.03484	0.5
204.04196	0.4
205.04951	1.0
209.05896	0.5
210.06613	0.4
211.03883	0.7
211.07558	0.7
212.04710	0.6
213.05513	1.0
214.02711	0.3
214.06081	0.5
215.07033	1.2
217.04961	7.3
218.05743	4.2
219.06519	7.4
223.06085	1.0
225.05386	0.4
227.03532	0.5
227.07050	1.0
228.04150	10.0
228.07655	0.5
229.04945	1.5
230.05724	0.5
231.02843	0.4
231.06534	0.4
241.04947	0.8
242.05707	1.6
243.06531	18.7
244.07141	0.5
245.04482	3.1
245.06967	0.3
245.07895	0.3
246.05191	1.0
247.06035	2.5
250.04628	0.4
250.54703	0.3
253.05064	0.3
253.08463	0.3
255.02835	0.3
255.06517	0.8
256.03671	2.0
256.07312	0.8
257.04517	0.7
257.07944	0.5
258.05243	0.3
259.05991	0.5
261.07587	1.3
267.02905	0.4
269.18710	0.4
270.05182	1.0
270.08392	0.5
271.06009	13.8
271.09259	0.7
272.06647	0.9
273.03970	1.6
273.07089	0.3
275.09161	2.5
283.02353	0.6
284.03180	2.1
285.07446	1.4
287.05432	1.0
288.06171	1.3
298.04773	2.1
299.05536	6.0
299.09082	1.0
300.06308	0.4
301.03503	1.7
303.08521	1.4
303.11816	0.3
313.07129	0.6
315.04965	2.3
316.05759	16.3
316.08859	1.0
331.08124	100.0
331.11621	6.8
332.08395	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	331.0812
Annotation	Apometzgerin
Peak:m/z	Relative Intensity
54.48859	0.5
55.01864	1.1
55.05513	1.2
65.03924	0.8
67.05494	0.9
68.99780	1.8
70.29356	1.9
79.05513	0.6
81.03387	0.7
81.07052	1.5
88.39796	0.6
91.05497	4.1
93.07036	1.3
95.04966	1.3
95.08601	0.8
97.06532	0.8
98.98467	39.9
100.98861	0.7
105.07037	0.9
107.04952	0.8
109.52784	0.5
111.00828	0.7
115.05480	0.7
116.99499	2.2
117.07041	0.7
118.04151	0.9
119.04943	4.0
119.08527	0.5
119.89500	0.5
121.06562	0.7
121.10138	0.6
122.09659	1.1
123.04440	2.0
124.01596	0.6
131.04875	1.0
135.04398	0.8
137.02347	0.9
137.06001	0.7
138.03128	0.6
139.03926	1.1
141.06978	1.5
144.05724	0.7
145.02808	1.0
145.06479	0.9
147.04414	1.9
149.02359	4.8
149.06046	0.6
151.03922	0.8
151.07526	0.8
152.06226	0.8
153.01839	10.6
153.05490	1.8
153.06970	1.2
155.04849	0.8
155.07256	0.6
155.08499	0.6
157.06493	1.5
159.04436	0.9
161.06017	0.9
163.03909	1.6
164.04668	5.0
165.06975	2.7
167.03447	0.7
167.07079	1.1
167.08499	0.9
168.05681	2.8
169.06471	1.6
170.02113	1.6
174.99220	1.1
175.07486	0.6
176.99023	2.0
177.01801	0.7
177.05453	0.7
179.03378	2.5
181.05110	0.8
181.06514	1.8
182.07327	0.9
183.04350	0.7
183.08083	1.3
184.05148	1.0
185.06000	1.5
186.03250	1.0
186.06793	0.9
187.07603	0.6
189.05406	0.8
191.03445	0.7
195.08145	0.8
196.05197	2.0
197.01483	0.5
197.05952	3.6
198.06815	1.0
199.07597	0.9
200.04640	4.1
201.05498	0.9
203.03355	1.3
204.04262	2.6
205.04950	1.2
209.05931	1.5
210.06714	0.8
211.07562	2.3
212.04584	0.8
213.05463	6.3
214.06274	2.0
215.06975	2.7
217.04929	2.0
224.04652	1.2
225.05524	1.4
225.09068	0.7
226.06262	1.0
227.03459	2.3
227.07072	1.5
228.04138	8.8
228.07744	1.2
229.04858	1.3
230.05936	0.8
231.02988	0.8
239.03380	0.6
239.07033	0.8
240.04214	1.8
241.05008	9.5
242.05717	12.6
243.06511	4.9
245.04533	0.8
253.05069	3.2
255.02943	1.3
255.06508	0.8
256.03738	5.2
256.07379	0.7
257.04449	1.7
257.08078	0.9
268.03699	1.2
269.04477	3.2
269.07861	0.6
270.05246	11.5
270.08267	0.9
271.06021	19.5
271.09311	1.3
273.04059	1.7
273.07672	0.6
281.04596	0.8
284.03244	1.5
285.03949	1.4
285.08224	0.8
287.05457	1.0
298.04773	8.7
298.07895	1.0
299.05655	9.5
299.09140	1.7
301.03635	2.9
302.04288	0.8
303.12292	0.7
313.07950	0.6
313.11761	0.6
315.05072	2.9
316.05811	9.7
316.09116	1.2
331.08157	100.0
331.11813	13.9
331.16760	2.0
332.08536	3.4
332.11920	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21716	0.5
53.22712	0.4
55.01845	0.6
55.05527	0.4
60.12339	0.4
60.31075	0.4
67.05502	0.6
68.99780	1.8
69.03417	0.7
69.44432	1.3
69.44842	2.5
77.60870	0.5
79.05478	0.5
81.03403	1.3
85.02866	0.5
87.24879	0.4
91.05468	0.7
93.07050	0.5
95.04980	0.7
97.06511	0.4
98.12964	0.4
98.21500	1.0
98.98465	25.0
104.84650	0.4
107.04950	2.0
108.02073	0.6
109.02895	0.5
110.03710	0.6
111.04482	0.4
115.05407	0.5
116.99490	1.1
121.02845	0.7
122.03657	0.7
123.04424	2.7
131.04904	1.0
132.04539	0.5
134.03638	1.1
135.00797	0.4
135.04414	1.1
137.02332	10.9
137.05989	1.0
139.07555	0.5
144.05727	1.2
145.06450	0.8
147.04416	1.8
149.02319	2.0
149.06003	0.8
150.03104	4.1
154.02638	0.7
155.04843	0.8
157.06549	0.5
161.05981	0.5
162.03067	0.7
163.03867	1.6
165.01802	0.9
165.05496	0.4
167.06944	0.5
169.01340	0.5
171.04437	2.8
172.05212	0.9
173.05989	1.1
174.99220	1.0
175.03902	3.9
176.98904	1.8
178.02603	3.7
179.03424	2.6
180.04152	1.6
181.04933	0.6
183.04410	0.6
183.08005	0.5
184.05200	2.4
185.05911	0.8
186.03128	1.1
187.03897	4.7
187.07501	1.0
188.04619	0.6
189.05435	1.4
193.01410	1.0
193.04951	13.9
199.03888	1.3
200.04698	8.3
201.05461	3.4
203.03387	7.0
206.02107	10.0
207.02855	1.2
209.00879	2.4
211.03886	9.0
211.07278	0.6
212.04640	1.4
213.05354	2.7
213.93394	0.4
215.03351	1.3
215.06978	3.0
216.04153	1.3
217.04915	1.1
222.69788	0.5
224.03133	0.6
227.03430	1.0
227.06999	6.0
228.04178	6.5
229.04938	4.1
231.02847	1.3
231.06546	3.2
233.08037	0.9
239.03394	9.3
241.04970	0.7
242.05768	0.5
243.06488	11.8
245.04375	0.5
255.02835	1.3
255.06590	0.7
256.03668	1.2
257.04510	2.0
261.07599	6.6
267.02914	6.2
268.03705	1.0
269.04498	1.0
270.05264	0.7
271.05997	22.5
272.06451	0.6
273.03900	2.4
274.86441	0.5
283.02362	1.4
284.03214	4.3
285.03967	4.7
285.07224	0.7
287.05487	0.7
288.06375	0.5
289.07047	1.2
289.12057	0.5
298.04874	2.2
299.05524	8.3
299.08936	0.9
300.05884	0.5
301.03439	14.0
307.10617	1.0
313.08066	0.9
313.11554	0.8
316.05789	8.6
316.09061	0.6
331.08112	100.0
332.08414	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0809
Annotation	Dillenetin
Peak:m/z	Relative Intensity
67.60072	0.4
69.37818	3.8
78.94725	0.4
91.05388	0.4
98.98459	10.0
98.99068	0.4
105.06922	0.4
116.99442	0.5
123.04411	0.4
123.79076	0.4
137.05917	0.5
149.02275	1.2
151.07483	0.4
153.01834	4.2
154.02505	0.4
163.03816	0.4
164.04614	0.6
176.98845	0.8
178.02533	0.7
179.03397	0.4
197.05962	0.3
203.03310	0.7
211.07481	0.7
211.46707	0.4
213.05469	0.6
228.04123	1.1
229.04886	0.7
231.02837	0.7
241.04860	1.0
242.05710	5.2
245.04311	0.9
255.06516	0.4
256.03610	0.8
258.05234	5.7
269.04425	0.9
270.05215	13.0
271.05859	1.3
273.03964	3.4
274.04172	0.4
284.03082	0.6
285.03732	2.5
286.04660	1.8
287.05490	6.8
298.04547	0.5
299.05450	1.9
299.08652	0.4
301.03409	5.2
302.04129	3.7
313.03348	4.0
313.96771	0.4
315.04956	54.6
316.05698	7.6
316.09174	0.6
331.08096	100.0
331.11261	3.9
332.08459	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0811
Annotation	6-Hydroxykaempferol 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
50.98550	0.5
68.99722	1.3
69.84494	0.9
69.84911	2.1
70.19676	0.4
98.98460	4.9
105.03332	0.8
107.04903	0.8
131.04887	0.8
133.02766	1.2
134.03589	0.5
139.00229	0.8
140.00992	0.5
144.18677	0.5
147.04353	0.6
148.05103	1.8
153.01770	0.4
166.99811	0.6
168.00452	1.6
169.01254	1.9
169.03293	0.4
171.04349	0.5
172.05080	0.4
175.03835	1.0
176.99049	0.4
185.00845	2.3
186.01492	1.8
191.20169	0.4
194.02084	1.1
199.03772	0.6
200.04660	0.8
213.05463	0.6
214.06195	0.6
217.04893	0.5
227.03368	0.5
227.07011	0.6
229.04927	0.5
231.06444	0.6
241.04851	0.8
242.05716	1.2
245.04451	19.5
246.04903	0.5
253.05042	0.5
255.02904	0.9
256.03671	2.7
257.04309	0.8
260.06653	0.5
269.04428	2.1
270.05157	1.9
271.05927	1.7
273.03928	18.1
281.04333	0.5
284.03131	4.6
285.03940	1.0
285.07394	0.7
287.05402	3.6
288.06216	1.1
297.04132	0.7
298.04654	3.8
299.05545	2.8
300.02631	0.9
300.99973	0.8
301.03424	15.9
302.03958	0.6
315.04929	6.6
315.08224	0.7
316.05768	63.2
317.06284	2.2
317.09796	0.5
331.08118	100.0
332.08548	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0811
Annotation	Morelosin
Peak:m/z	Relative Intensity
55.01863	0.6
56.96568	0.3
60.72905	0.3
65.03935	0.8
67.05498	0.6
68.99786	0.7
69.03420	0.4
71.04980	0.3
71.47825	0.6
79.05466	1.0
81.07061	0.7
89.53692	0.3
91.02002	0.3
91.05479	2.4
94.04176	0.4
95.04949	0.7
97.06506	0.3
98.98466	18.9
105.03381	0.9
105.07030	0.7
107.04948	1.1
108.02147	0.4
109.06514	0.3
111.04435	0.3
115.05516	0.6
116.99510	0.6
118.04169	0.4
119.04946	2.9
119.08585	0.5
121.02824	0.3
121.06492	0.9
123.00780	0.5
123.04426	1.0
124.01575	0.9
128.06244	0.5
129.06993	1.2
131.04939	0.6
131.08574	0.4
133.02835	0.5
135.04434	0.6
137.02347	1.4
137.05974	6.3
138.03149	0.4
139.03902	0.4
141.06979	0.5
144.05714	0.5
145.06493	0.7
147.04408	1.0
148.05183	0.4
149.02330	3.9
149.05977	1.1
150.03125	3.1
151.00218	0.3
151.03917	0.6
151.07542	4.5
152.01047	2.9
152.06184	0.6
153.01823	6.9
153.05458	0.6
153.06999	0.4
154.06551	0.3
154.07773	0.4
155.04915	0.5
155.06046	0.6
157.06459	1.1
158.03618	0.4
158.07346	0.4
159.04370	0.3
161.02347	2.2
161.05988	1.4
163.03918	0.8
163.07501	1.0
164.04674	3.8
165.05528	0.4
165.07010	1.0
167.03409	5.5
167.08524	0.9
168.05696	1.0
169.01373	0.4
169.06390	0.4
169.07623	0.9
170.02112	3.0
171.04399	1.3
172.05147	0.4
173.05971	0.7
174.99260	0.4
175.03911	1.3
175.07512	0.4
176.98929	0.8
178.07733	0.4
179.03410	1.2
179.05963	0.4
181.06528	0.6
183.08000	0.6
184.05197	0.5
185.05960	0.9
186.03137	0.4
186.06778	1.0
189.05452	0.4
189.09126	1.6
191.03392	1.0
193.06334	0.4
193.10136	0.7
195.05598	1.4
195.07997	1.6
196.05061	0.8
197.05829	1.5
199.03889	1.2
200.04750	2.0
203.03419	0.5
204.04202	0.9
205.04974	0.5
209.05615	0.8
210.06709	1.0
211.03960	0.5
211.07399	0.5
212.04747	0.4
212.08365	0.6
213.05298	3.2
213.08766	0.4
214.06267	1.4
215.07040	1.2
217.05003	1.9
221.07323	0.3
221.09622	0.6
223.07521	0.7
225.05341	0.6
225.09140	0.8
227.03395	1.3
227.07060	0.8
227.10699	2.0
228.04161	7.5
229.04715	0.5
239.03439	1.0
239.08044	0.4
240.04294	0.8
240.07799	0.5
241.04932	4.7
241.08598	0.5
242.05740	7.9
243.06487	3.3
245.04385	3.0
253.04857	1.5
253.08609	1.1
253.12253	0.9
254.05652	0.6
255.02917	1.9
255.06235	0.4
255.10077	1.6
256.03671	3.6
256.07410	0.3
257.04486	0.4
259.06036	0.4
267.03061	0.6
268.03641	0.9
269.04480	1.3
269.07968	0.4
270.05255	9.1
270.08270	0.9
271.05963	10.5
271.09961	0.6
272.06223	0.4
273.03958	2.7
275.09094	0.4
277.05981	0.4
280.03928	0.4
281.11874	0.4
282.05237	1.0
283.02423	0.8
283.05615	0.5
284.03168	3.1
285.04214	0.6
285.07861	2.7
285.11368	0.9
287.05582	0.9
287.12766	1.8
288.06326	0.6
295.07101	0.8
297.03934	0.7
298.04727	5.2
299.05511	5.4
299.08780	0.4
301.03458	3.1
313.08206	3.9
313.14426	0.6
315.04944	1.1
316.05768	27.2
316.08911	1.7
317.05951	0.8
331.08115	100.0
331.11438	4.8
332.08493	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0811
Annotation	6-Hydroxykaempferol 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
55.01865	0.9
55.05494	0.6
57.03434	0.5
59.60849	0.5
67.05495	0.8
68.99793	1.0
69.03410	0.9
69.07046	0.6
79.05489	0.9
81.07044	1.5
83.46024	0.5
91.05489	3.4
93.07027	1.1
95.04945	1.2
95.08610	1.4
98.21522	1.1
98.98465	59.0
100.98916	1.0
103.05478	0.7
105.07037	1.4
107.04947	1.2
107.08643	0.8
109.06490	0.6
116.06194	0.5
116.99490	3.3
118.04134	1.2
119.04956	3.3
119.08524	0.7
121.02842	0.7
121.06535	1.5
123.04436	1.5
124.01627	0.8
131.04953	1.0
131.08568	1.0
133.10092	0.6
134.03604	1.1
137.05952	1.8
139.03864	0.9
141.07002	1.0
144.05690	0.6
145.06503	0.9
145.10098	1.1
146.03624	1.2
147.04402	3.6
149.02362	2.7
151.03918	0.7
152.06215	1.3
153.01833	13.6
153.05489	1.3
153.06970	2.3
154.07823	0.8
155.08595	0.7
157.06480	2.4
159.04437	0.8
161.05981	1.1
163.03914	3.5
164.04700	4.6
164.45651	0.6
165.05647	0.7
165.06950	3.6
167.07080	1.2
168.05678	2.6
169.06473	1.9
170.02109	1.8
172.05139	0.8
174.99199	1.7
176.98920	2.8
177.05371	0.6
179.03371	2.1
179.07077	0.8
181.06451	2.9
182.07205	1.7
183.04468	1.0
183.08063	2.1
184.05197	1.1
185.05974	2.2
187.03838	0.7
191.03419	1.7
192.12306	0.6
195.08052	0.9
196.05231	2.1
197.05945	2.8
198.06802	0.7
199.03889	0.8
199.07475	0.9
200.04695	2.7
201.05408	0.6
203.03403	0.8
204.04184	1.5
205.04967	0.8
207.04510	0.9
208.05074	0.7
209.05815	1.2
210.06749	1.7
211.07584	3.0
212.04559	1.1
212.08449	0.5
213.05478	6.0
213.08994	0.8
214.06265	2.9
215.07027	2.1
216.04201	2.2
217.04953	2.7
223.07388	0.7
224.04660	0.9
225.05560	1.6
225.09035	0.8
226.06181	1.0
227.03368	0.8
227.06975	2.3
228.04170	9.1
228.07788	1.9
229.04895	1.6
230.05740	0.9
237.05383	0.9
238.06236	1.7
239.07033	1.2
241.04913	7.5
241.08597	1.0
242.05716	9.6
243.06433	3.4
243.10159	1.5
245.04472	1.5
245.08038	0.6
252.03981	0.8
253.04984	3.0
253.08539	0.8
255.02890	1.8
255.06366	1.3
256.03638	6.9
256.06418	0.8
256.07297	0.9
257.04337	0.7
267.02988	0.7
268.03644	1.0
269.04514	3.5
270.05246	8.6
270.08054	0.7
271.06000	15.5
271.09576	1.6
273.03857	3.0
273.07056	0.8
275.09085	0.6
281.04391	0.8
283.02332	1.0
284.03049	2.2
285.03836	2.3
285.07489	0.6
286.04465	0.6
287.05432	2.0
288.09692	0.7
297.03909	1.8
298.04712	11.0
299.05539	7.7
299.08997	1.4
301.03510	5.2
301.06772	0.9
303.12097	0.7
313.10800	0.7
315.05002	5.1
316.05768	15.1
316.09119	2.1
331.08066	100.0
331.11752	25.9
331.23587	1.6
332.08545	3.0
332.12109	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.7
55.05509	47.7
63.70939	3.7
64.75007	3.3
65.98670	3.1
67.05490	16.5
69.03410	4.0
69.07063	9.1
70.84233	7.4
70.84629	6.1
79.05482	13.9
80.72739	3.2
81.07041	17.3
83.04963	6.7
83.08619	26.4
91.05478	5.7
93.07018	7.7
95.04956	3.4
95.08634	4.8
97.10171	53.0
98.98460	82.5
101.09669	3.6
107.08584	15.2
107.52544	3.2
125.09621	59.1
135.07973	3.7
153.09099	4.5
171.10196	5.5
174.99219	5.4
176.98976	5.8
189.11220	100.0
209.41890	3.3
277.21552	29.1
324.38855	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	330.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	5.0
56.96558	3.6
57.03431	2.6
57.07072	2.5
64.83000	1.0
67.05506	7.4
69.07059	3.1
69.86819	7.0
70.06581	4.0
71.08622	3.5
79.05486	3.5
81.07044	4.6
83.08612	2.9
87.04471	14.8
88.07630	6.4
91.05479	2.9
93.07050	3.1
95.04967	2.4
95.08604	3.5
97.10165	3.9
98.98466	100.0
100.98930	1.5
101.06016	8.3
105.07037	2.5
107.08604	2.7
109.06496	1.2
109.10159	1.8
116.99516	5.2
121.05358	1.1
123.11679	1.3
125.09635	3.4
133.10080	1.0
143.86867	1.1
145.10135	1.1
147.11664	1.2
174.99178	3.1
176.98956	4.5
179.03442	1.1
189.11212	5.3
204.44179	1.1
256.26340	3.2
269.10681	1.7
270.27875	3.4
272.12833	1.2
277.21558	2.4
285.10196	1.5
330.30042	22.1
330.33557	1.6
331.18814	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0809
Annotation	Desmethoxycentaureidin
Peak:m/z	Relative Intensity
56.96555	0.7
61.02904	0.6
67.05501	0.6
68.99789	0.7
70.34270	1.2
79.05495	0.6
82.60279	0.4
91.05486	0.9
95.04922	0.5
95.08574	0.4
96.02111	0.5
97.02881	0.5
98.98464	10.3
105.07036	0.4
111.04442	1.4
115.05489	0.4
119.04942	1.2
123.00767	0.5
123.04441	0.8
131.00145	0.5
133.02843	0.5
135.04411	1.6
137.05959	0.5
138.03133	0.5
139.03879	1.4
144.05698	0.6
147.03146	0.4
147.04292	0.5
149.01231	0.8
149.02357	1.1
150.03114	9.7
151.03894	0.6
152.01041	1.7
153.01883	0.5
153.05544	0.5
153.06985	0.4
155.04941	0.6
156.03641	0.8
164.04744	1.1
167.03395	20.4
167.07108	0.5
168.05708	0.5
169.01280	0.6
169.06546	0.6
171.04408	0.5
172.05182	0.4
176.98927	0.7
177.01929	0.5
177.05551	0.5
178.07536	0.5
181.06387	0.6
183.04424	1.3
184.03650	1.7
184.05176	1.0
185.06013	0.5
186.06738	0.6
187.03860	0.4
187.07921	0.5
191.03383	2.5
197.06024	0.7
199.03925	1.0
200.04669	2.1
201.05424	0.4
203.06964	0.5
211.03889	2.3
212.04561	0.8
213.05362	1.0
214.06223	1.3
215.07065	0.5
217.04988	1.6
225.05467	0.6
227.03391	1.0
227.06969	1.8
228.04147	4.9
229.04875	0.9
231.06567	2.2
239.03398	0.8
240.04262	0.9
241.05054	1.9
242.05704	7.9
243.06508	6.8
245.04466	0.9
250.09613	4.5
250.59860	1.0
254.05775	1.1
255.06329	0.5
256.03677	1.4
257.08139	1.3
258.05121	0.7
259.05951	0.7
270.05258	4.1
271.05981	6.4
273.03888	0.7
275.09161	2.0
282.05408	1.8
283.02319	0.5
284.03104	1.6
285.07581	5.9
287.05289	0.4
288.06271	0.6
298.04785	1.1
299.05521	5.5
301.03555	0.6
303.08398	0.5
313.06943	3.4
313.10269	0.5
315.05112	2.3
316.05746	13.4
317.06158	0.6
331.08112	100.0
331.11462	4.6
332.08533	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	330.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01393	1.0
70.91778	1.9
70.92126	2.3
72.08140	2.7
86.09688	1.4
91.05476	1.9
95.04921	1.7
98.97865	2.3
98.98470	36.0
103.05461	11.3
115.05442	1.4
117.07006	4.9
123.04432	90.3
127.12158	1.2
128.51564	1.1
131.04933	31.1
145.06541	6.3
147.04443	7.6
149.05984	100.0
150.06303	1.7
153.06837	1.3
159.08118	1.2
163.07529	10.0
169.05038	8.7
176.98906	1.3
179.03389	3.7
191.07042	50.0
192.07173	1.3
209.08116	19.8
217.60574	1.2
231.23393	1.3
240.78203	1.4
285.18185	1.5
330.06799	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.6
57.07054	3.2
60.04499	1.6
65.37455	1.3
67.05501	2.4
69.17274	1.2
69.58226	2.4
69.58625	10.1
71.08611	2.5
71.27131	1.2
72.08133	1.7
74.06071	1.6
78.21387	1.4
79.05507	1.3
81.07040	3.5
82.06624	1.4
83.04984	1.6
83.08629	2.8
84.04494	1.6
87.04469	8.9
88.07641	2.9
93.07043	2.8
95.04944	1.5
95.08620	2.3
97.10174	2.4
98.98463	100.0
99.08053	1.4
100.11256	3.0
100.98871	2.3
101.06012	1.7
102.05525	1.3
102.09146	1.2
112.07388	1.3
116.99497	5.0
125.09640	2.3
130.05038	2.5
132.78223	1.4
140.01018	1.7
148.05983	1.7
152.45567	1.3
156.17477	1.7
174.99193	3.6
176.98923	4.6
189.11238	2.7
214.89500	1.3
256.26431	2.2
268.30011	1.6
270.27850	2.4
277.21677	1.9
330.10651	1.8
330.29901	9.4
330.33688	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	330.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
56.05010	0.7
67.08639	0.3
68.99788	0.3
69.03408	0.4
70.06588	4.4
71.57313	0.3
71.57715	0.4
72.08170	0.4
72.52507	0.3
74.06062	0.8
77.19833	0.3
79.05508	0.3
81.03413	1.6
83.32269	0.3
84.04479	0.3
84.08108	0.5
86.09687	1.3
91.05472	0.3
95.04983	0.2
98.98463	24.9
101.07098	0.3
107.04926	0.6
110.07136	0.7
111.04443	0.3
114.55540	0.3
116.07106	1.0
116.99498	1.5
120.08078	0.5
123.04419	2.3
127.03913	0.4
135.05504	0.4
137.02332	10.2
138.05476	1.8
139.03899	1.8
139.04863	0.3
147.04422	0.6
148.03917	0.9
149.05927	0.4
150.06596	0.7
151.03917	0.5
151.05019	1.0
153.01804	0.9
160.03978	1.3
161.03458	1.6
162.05505	0.5
163.03877	0.5
163.05040	3.2
165.79904	0.3
167.07083	0.5
174.99220	1.1
176.98935	1.0
177.06604	4.3
178.06116	100.0
179.01671	0.4
179.03189	0.4
179.04523	4.8
179.06413	0.9
180.07692	0.5
187.14397	1.0
193.06142	0.6
194.09258	1.9
199.10843	0.4
200.07088	3.3
201.07896	0.4
203.04559	0.8
209.01004	0.3
214.08629	0.5
215.13821	0.5
224.07214	0.3
224.84720	0.3
226.64128	0.3
228.06691	0.5
232.39629	0.3
240.06882	0.3
263.69235	0.3
270.07599	19.8
313.08109	1.2
330.10803	5.2
330.27432	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1017
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
56.96559	0.6
61.02937	0.5
63.41425	0.4
67.05479	1.0
70.14338	1.3
70.14749	1.0
79.05487	1.3
81.07042	1.2
91.05498	0.6
93.07034	0.7
95.01321	0.6
95.04977	0.9
95.08617	0.5
97.02920	0.6
98.98462	92.2
100.98904	0.8
103.05451	0.6
105.07001	0.7
107.04932	0.5
109.06507	1.1
116.99495	4.7
121.06523	0.7
121.37805	0.4
123.00792	1.1
133.02847	7.3
137.05969	10.8
140.01057	1.1
148.05186	46.7
149.05606	0.5
152.00958	0.7
161.05988	0.5
162.06873	0.5
163.07500	0.7
165.05426	0.5
167.03477	1.3
169.01326	1.6
174.99220	6.4
176.98903	2.8
178.02652	0.7
181.23271	0.5
184.03696	4.3
187.28117	0.5
188.28503	0.5
193.05009	0.6
215.53781	0.4
226.06248	0.5
227.07088	1.0
229.07382	0.5
243.06532	1.4
252.99724	0.8
253.05005	0.5
254.05711	1.8
255.06512	1.2
257.08054	0.6
267.09018	1.0
269.08047	1.6
271.05978	2.9
273.11182	2.6
282.05228	3.0
283.05948	1.5
285.07385	0.9
285.10120	1.4
286.08374	1.4
297.07620	8.8
299.05490	1.8
301.10989	0.6
313.07040	2.8
314.04144	0.7
314.07825	14.9
329.10181	100.0
330.10373	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1342
Annotation	Hexacene
Peak:m/z	Relative Intensity
52.88895	0.8
53.03939	1.4
55.05502	1.0
56.05021	0.9
57.03420	1.8
61.02921	2.1
67.05508	2.3
69.03435	6.6
69.26363	8.1
69.26778	1.8
71.04996	0.9
73.02921	1.5
75.07623	0.9
77.93407	0.9
80.05011	2.6
81.03408	2.8
84.04482	1.2
85.02891	6.9
87.04478	1.3
88.36464	0.8
94.06564	10.6
97.02892	3.2
98.20644	0.8
98.98465	77.3
99.04452	0.9
106.06548	0.9
109.02863	1.3
116.99514	2.4
121.07623	7.4
122.06026	12.2
127.03911	1.3
133.02826	1.9
134.04832	0.9
134.06000	1.5
134.40939	0.8
149.06102	2.5
149.07097	62.7
149.10646	1.7
150.05499	100.0
151.05867	2.2
151.08696	0.9
152.07062	1.5
162.07596	1.7
166.07410	2.1
167.08157	40.8
167.11804	1.9
168.06558	3.6
168.07893	0.9
174.99280	4.6
176.98871	2.1
203.24187	1.0
246.07655	1.3
312.10651	1.2
329.13416	71.9
330.13687	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.2
60.32884	0.6
61.78342	0.6
66.35303	0.7
67.05507	4.2
69.07054	1.1
70.46460	2.1
70.46816	1.3
79.05487	2.5
81.07056	2.1
83.08613	1.1
91.05495	1.8
93.07014	1.3
95.08599	1.7
97.10172	0.7
98.98464	100.0
105.07060	1.4
107.08617	0.9
109.10161	3.3
111.42590	0.7
111.92656	0.8
116.99472	4.8
117.23159	0.6
119.08644	0.9
121.10122	1.0
133.10143	1.1
140.01096	1.5
146.95244	0.6
147.11659	0.7
154.12357	0.7
163.81726	0.6
173.11792	1.5
174.99219	7.9
176.98981	2.7
190.95490	1.2
250.97321	0.9
275.20261	0.9
290.43222	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04850	0.6
55.01855	0.8
55.05508	8.4
56.96568	0.6
67.05493	4.6
69.03421	0.9
69.07066	5.7
69.92177	2.6
79.05498	4.4
81.07066	3.8
83.08624	3.8
91.05491	2.0
93.07054	2.4
95.08617	1.2
97.10170	9.1
98.20813	0.6
98.98467	100.0
105.07059	3.3
107.08594	10.4
109.10156	1.1
115.45119	0.6
116.99494	5.1
117.07021	1.0
119.08585	0.9
121.10160	1.0
123.09396	0.6
125.09631	7.9
131.08546	0.6
133.10126	1.0
135.89519	0.6
138.12781	1.0
140.01089	1.4
145.10165	1.4
147.11710	1.0
149.09639	1.3
153.09074	0.8
161.13272	0.7
171.10188	1.2
172.94444	1.0
174.99219	6.6
175.99506	0.6
176.98962	2.3
187.97345	0.6
189.11206	10.7
190.95482	1.3
208.96526	1.0
210.85129	0.6
216.40176	0.6
232.96437	1.1
250.97420	1.0
252.99686	1.0
257.19101	1.4
275.20032	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	328.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	12.1
56.28205	0.8
58.15079	1.1
67.05507	4.5
69.03416	1.3
69.07069	12.0
70.14011	4.4
79.05495	8.9
81.07066	6.7
83.04975	1.3
83.08620	8.5
91.05487	4.0
93.07021	4.1
95.08618	2.5
97.06598	0.9
97.10178	13.7
98.98465	100.0
105.07028	5.2
107.08601	12.5
109.06556	0.9
109.10166	1.5
116.99509	3.7
119.08580	1.3
121.10163	1.0
125.09635	14.6
131.08598	1.9
133.10130	2.4
135.08055	1.1
138.12744	1.2
140.01138	1.2
145.10130	0.9
147.11690	1.7
149.09654	1.8
153.09071	0.8
161.13220	1.2
161.70506	0.8
174.99240	6.7
176.98958	2.9
179.14246	0.9
189.11211	16.4
208.96458	0.9
229.27711	0.9
257.18936	1.4
275.20062	9.9
328.28543	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04035	0.6
55.01856	0.8
55.05513	4.3
67.05504	4.1
69.07067	4.0
69.66423	0.7
71.73731	0.7
72.10816	0.6
79.05499	3.7
81.03392	0.8
81.07050	2.2
83.04990	1.1
83.07252	0.7
83.08615	2.2
91.05482	1.3
93.07040	2.2
95.04967	1.3
95.08607	2.0
96.65045	0.6
97.10168	3.7
98.98467	100.0
105.06998	1.8
107.08583	5.2
109.10147	2.2
116.99501	5.2
119.08580	1.6
121.06503	3.0
121.10159	1.0
122.80925	0.7
125.09630	3.6
133.10179	1.7
133.91188	0.7
147.11673	0.9
149.22377	0.6
152.10716	1.1
155.48045	0.7
172.13487	1.1
173.11713	0.8
173.55800	0.7
174.99222	7.6
176.98926	2.6
189.11217	4.9
190.95451	1.7
208.96567	0.8
232.96495	1.6
250.97404	1.4
252.99706	1.1
257.18832	0.7
258.59973	0.7
275.19986	3.2
291.36667	0.7
328.19275	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.1
55.05513	29.8
63.10133	2.2
67.05499	6.4
69.03411	2.6
69.07064	4.8
70.65778	6.0
71.31641	2.4
79.05492	16.4
79.19271	2.0
81.07039	9.0
83.08628	20.0
91.05470	6.0
93.07027	6.2
95.08617	3.3
97.10170	36.3
98.98471	100.0
105.07023	7.2
107.05120	2.3
107.08593	40.4
109.42755	2.9
116.99517	3.1
119.08583	2.8
122.76202	2.3
125.09621	34.8
131.08597	2.3
145.10095	4.8
147.11697	3.0
149.30693	2.5
163.75401	2.3
171.10159	2.5
174.99240	7.5
176.98924	4.3
189.11218	36.7
257.19073	3.0
275.20093	23.0
320.33499	2.2
329.04407	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77462	0.3
56.96568	0.5
57.03408	0.5
59.05010	2.4
69.03416	1.2
69.79376	2.2
70.06583	0.9
73.06553	8.6
74.23118	0.4
79.05473	0.5
81.03413	0.5
84.08139	0.6
85.02898	2.0
86.09688	0.8
91.05457	0.8
93.07031	0.9
94.20809	0.3
97.02896	1.2
98.98464	100.0
99.98887	0.3
100.98873	0.6
105.07031	0.7
106.93291	0.4
107.04968	0.7
109.02843	0.5
116.98699	0.4
116.99493	5.1
119.04948	0.4
120.08099	2.2
121.06525	0.6
124.07556	0.4
131.04956	0.5
131.10663	0.8
133.02852	1.4
134.99617	0.4
136.07585	0.4
137.05965	0.8
140.01080	1.3
147.04396	1.1
148.07524	0.9
149.06020	0.7
149.11740	3.6
161.06015	0.6
165.05486	1.3
166.08629	0.9
167.03319	0.7
169.37532	0.3
174.99236	6.6
175.99605	0.7
176.98912	2.7
182.06375	0.5
191.05685	0.6
207.06445	0.4
219.70891	0.4
228.04739	0.4
241.07565	0.3
251.00111	0.4
252.99757	0.7
255.45654	0.4
285.08395	1.6
328.14774	0.6
329.11813	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.5
55.01869	0.9
55.05513	0.9
58.14510	0.5
59.69398	0.6
67.05508	1.0
69.03417	0.6
69.07066	1.4
71.56080	0.5
71.58529	0.7
71.58935	0.6
77.01584	0.4
77.03906	0.5
78.76093	0.6
79.05515	0.9
81.03436	1.0
81.07059	2.0
86.09708	0.6
91.05482	12.1
91.06013	0.9
93.07043	20.9
95.04962	5.1
95.08611	1.5
97.06548	0.5
98.98466	100.0
100.98901	0.7
103.05466	14.0
104.05800	0.6
105.04459	0.9
105.07019	1.1
107.04992	0.7
109.10158	0.9
116.99500	6.3
118.06560	4.3
119.08566	1.0
121.06504	86.9
122.06880	1.3
123.04431	0.6
124.07539	0.6
131.04877	0.6
133.08826	0.6
134.09718	0.6
135.04428	0.6
137.05994	1.7
140.01097	1.4
145.06546	0.7
146.09645	1.1
150.09171	1.7
151.07608	0.5
155.08644	0.5
163.07532	0.7
165.06911	0.5
174.99219	6.3
176.14355	35.5
176.98918	3.1
177.14793	0.8
181.06290	0.6
188.03380	1.0
206.04504	1.7
208.16963	34.0
209.17465	0.8
239.07077	0.9
241.45010	0.6
254.09167	0.6
296.10156	0.6
299.05484	2.6
314.07819	0.8
328.22708	87.3
329.06586	1.0
329.10211	4.3
329.13818	1.1
329.23267	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	327.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37508	1.0
55.05509	4.4
57.07067	2.5
65.38050	1.1
67.05492	6.5
69.07066	9.6
69.69048	7.5
79.05480	3.2
81.07050	18.5
83.08607	2.8
85.06540	4.3
91.05479	3.1
93.07030	5.4
95.04937	1.8
95.08602	13.4
97.10152	1.2
98.20847	1.6
98.98462	100.0
103.05488	1.4
104.11346	1.3
105.07026	4.3
107.08582	5.7
109.06532	1.6
109.10155	7.6
111.08077	3.8
116.99502	4.4
117.06995	1.9
119.08600	1.7
121.10123	5.1
123.11690	8.2
133.06502	3.4
133.10158	1.6
135.11658	3.0
137.05975	5.1
137.13229	4.5
145.06522	1.6
147.04424	2.6
147.11754	2.3
149.13234	3.5
151.03885	1.4
154.36885	1.1
161.05890	1.3
163.03999	1.8
163.07561	2.6
163.14784	2.4
173.05898	1.1
174.99236	9.4
245.69559	1.1
249.09073	1.5
265.08566	1.2
273.25360	1.2
291.26849	1.1
295.09497	1.3
309.10269	1.4
312.15051	1.2
327.12164	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	327.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16832	1.3
55.01856	1.5
55.05522	3.5
57.07074	1.7
67.05495	11.0
69.07053	6.9
69.76254	2.9
69.76656	6.8
73.06572	1.3
73.07012	1.6
79.05503	8.8
81.07061	10.2
83.08646	2.2
91.05482	15.7
93.06493	1.7
93.07053	24.2
95.04973	25.8
95.08620	16.2
97.06513	4.0
98.98466	100.0
102.36465	1.6
103.05469	1.4
105.07032	19.1
107.08601	12.1
109.06533	4.4
109.10168	8.2
116.99518	2.5
117.07011	8.7
119.08600	18.6
121.06519	5.7
121.10145	10.9
123.08054	2.6
123.11733	2.5
129.07004	2.3
130.07777	1.6
131.08540	8.6
133.10139	15.5
134.71259	1.4
135.08049	2.1
135.11691	4.3
137.09644	1.6
142.07806	4.8
143.08562	8.1
144.09413	1.5
145.10132	12.6
147.11774	3.2
152.06200	1.4
153.07007	1.7
155.08522	2.6
156.09341	2.3
157.10155	10.6
159.11682	10.9
161.09608	6.6
161.13309	1.7
169.10121	6.2
170.10858	2.2
171.11722	5.1
173.09804	1.5
173.13251	3.5
174.99219	11.2
175.14844	5.3
181.10104	3.4
183.11700	3.7
185.13237	2.5
187.14792	5.3
193.10179	2.5
194.10970	2.1
196.12660	1.8
197.13216	3.8
199.14841	2.7
201.16370	2.1
207.11560	1.9
207.66809	1.5
209.13205	2.1
211.14856	2.3
216.44615	1.9
253.19359	1.9
291.21234	1.9
309.22089	2.7
327.08017	3.0
327.23187	5.8
339.77121	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	1.4
51.02381	1.9
53.03933	4.5
55.05500	5.2
57.03435	2.0
57.07066	2.3
59.04988	1.7
62.13013	1.2
65.03918	2.1
66.24782	1.4
67.05499	9.6
69.03411	2.0
69.07052	5.2
69.43544	13.0
70.24167	1.4
72.62142	1.5
78.01507	1.3
79.05492	8.0
81.03385	2.5
81.07056	10.4
82.15753	1.7
83.08610	1.9
91.05485	14.4
91.53651	1.3
93.07047	26.4
95.04974	35.5
95.08605	18.4
97.06532	5.5
98.98469	100.0
105.04509	2.0
105.07034	21.1
107.08603	12.2
109.06529	4.3
109.10140	7.1
111.08036	1.6
115.05456	3.2
116.99504	4.8
117.07016	6.0
117.87224	1.4
119.08586	20.1
121.06503	6.7
121.10136	12.9
123.08099	3.7
123.11826	1.4
125.86421	1.4
128.06235	3.1
129.06984	3.5
130.07796	1.8
131.08554	10.1
133.10146	17.4
133.18643	1.5
135.08054	5.4
135.11668	2.7
141.06970	2.5
142.07785	3.6
143.08562	7.4
144.09378	2.5
145.10147	11.3
147.08006	2.3
147.11691	3.7
152.06209	14.4
153.07019	13.2
155.08592	4.9
156.09396	3.4
157.10164	10.6
159.11699	11.0
161.09596	4.2
168.05719	4.7
168.09468	2.1
169.06462	3.1
169.10170	5.3
171.11710	5.2
173.09641	2.1
173.13277	6.5
174.99246	9.7
175.14819	5.1
181.25731	1.7
182.10724	1.5
183.11726	3.2
185.13222	3.0
187.11116	2.2
187.14812	5.3
195.11688	2.4
197.13222	4.0
199.14827	1.8
207.11913	1.7
209.13216	2.6
211.14786	3.2
213.16318	1.8
215.02740	2.6
227.08597	2.2
228.09351	4.9
233.03619	13.3
235.14748	2.4
251.04573	8.0
291.21027	1.5
309.21768	2.4
327.07819	50.2
327.23184	6.8
328.08194	4.9
343.03537	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.2
65.84257	1.4
68.00144	1.6
69.03435	2.6
69.07050	2.2
71.57902	1.8
81.03410	2.4
81.07074	1.8
83.08599	9.3
84.04520	2.2
85.02920	5.0
91.05488	2.4
93.07033	2.6
97.75814	1.4
98.98464	100.0
99.04448	1.6
107.08556	1.6
108.08112	7.1
111.08090	4.7
116.19164	1.6
116.99500	6.2
121.03346	1.5
122.09676	4.4
129.09116	12.6
135.08156	1.4
135.11746	2.4
136.07498	1.5
136.11267	1.4
137.06004	2.9
147.09160	2.1
148.09619	1.7
150.12738	9.0
151.13547	2.6
152.14299	2.9
153.01898	1.7
162.09198	1.5
174.99228	9.6
191.08218	4.8
192.08521	7.4
282.16992	41.0
308.13367	3.6
326.14432	2.2
326.15692	2.5
326.19534	20.4
343.18549	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.9
55.05487	0.6
57.03424	0.9
67.05502	1.2
69.07052	1.5
69.35635	6.5
79.05499	1.9
81.07056	1.7
91.05464	3.1
93.07031	1.5
94.04176	3.5
95.04944	0.8
95.08555	0.7
98.98463	82.1
99.04433	1.1
103.05458	18.0
104.05723	0.9
105.07013	2.8
107.04942	1.7
107.08596	1.4
107.27864	0.6
115.05441	1.4
116.99493	4.7
117.06998	4.0
119.04914	0.7
119.08570	1.4
121.06480	1.1
121.15646	0.6
122.03629	7.6
123.04411	1.4
123.08042	0.9
125.05948	0.7
131.04922	37.6
132.05286	1.6
133.06471	6.1
133.10126	0.8
135.08051	3.2
137.05969	100.0
138.06326	1.7
145.06483	6.5
147.04410	3.0
147.11690	1.0
151.07555	3.2
157.10106	0.7
161.05981	2.4
163.07539	68.2
164.07895	1.7
174.99213	8.0
175.03885	1.9
175.07590	0.9
177.09068	3.8
189.09056	0.8
205.08594	13.8
223.09714	3.6
263.10562	0.8
264.11154	0.8
295.13290	2.3
327.08505	1.0
327.10742	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2736
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
51.31184	1.4
53.03932	3.9
55.01868	4.2
55.05510	35.3
57.03425	4.8
57.07078	15.3
58.49072	1.3
59.04982	4.4
62.54599	1.3
67.05169	2.4
67.05504	33.6
69.03421	5.5
69.07067	91.0
69.38682	3.1
69.39089	12.4
71.05001	7.7
71.08623	5.6
73.06551	2.4
79.05491	20.6
79.82948	1.4
81.07056	81.7
83.04976	3.9
83.08613	39.3
85.06540	7.6
85.10162	1.9
87.04464	2.2
91.05489	18.9
93.07043	100.0
93.73318	1.4
95.04957	14.1
95.08606	79.1
97.06535	14.6
97.10159	15.4
98.21449	2.6
99.08105	2.4
105.07024	16.8
107.04991	1.6
107.08592	28.0
107.89458	1.5
109.06505	14.0
109.10157	43.7
111.08073	59.4
111.11702	4.5
119.08578	10.6
121.10142	47.2
123.08055	8.5
123.11689	21.9
124.49223	1.5
125.09624	10.5
127.07555	1.5
129.06952	1.4
131.08543	4.8
133.02831	3.1
133.10127	6.0
135.08046	2.3
135.11687	12.0
137.05989	2.6
137.09584	3.6
137.13216	5.7
139.11195	19.5
145.10124	5.8
147.11754	6.7
149.09607	6.5
149.13248	16.1
151.11174	2.6
151.14786	4.1
155.10657	2.5
157.12170	1.7
159.11696	9.5
161.13239	5.6
163.03850	1.5
163.07454	1.4
163.11174	3.8
163.14853	5.0
165.16483	1.9
167.10692	4.1
167.14336	5.7
169.12259	1.3
173.13272	2.5
175.14833	3.7
177.12756	4.2
177.16425	3.0
179.17899	3.1
181.12206	2.0
189.16431	1.9
191.17908	3.4
195.13779	3.5
197.18959	3.4
203.17722	1.6
205.06522	1.8
209.19017	13.4
215.17960	1.6
217.19464	4.1
235.20520	5.4
250.06142	2.2
265.08603	3.1
267.71240	1.6
271.24216	4.7
271.30750	1.6
277.25195	2.9
289.25272	4.4
293.07959	3.4
295.26416	6.7
307.09824	2.8
307.26300	13.5
317.95938	1.6
325.10654	4.7
325.27353	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.0
55.01862	8.2
55.05510	23.3
56.96557	4.8
57.07067	10.6
58.49615	4.6
59.05003	5.3
67.05508	32.5
69.03417	7.9
69.07064	100.0
69.67844	34.1
71.04988	9.1
77.03928	7.7
79.05490	22.1
81.07058	85.4
83.04969	5.9
83.08608	11.8
85.06511	13.0
90.88091	4.7
91.05495	24.6
93.07051	49.0
95.04968	18.1
95.08604	63.2
97.06518	10.1
97.10170	5.5
99.08108	7.0
103.19785	4.6
105.03348	8.6
105.07027	18.4
107.08569	32.4
109.06542	5.5
109.10154	30.1
111.08082	30.8
111.11706	14.1
119.08575	14.5
121.06499	7.7
121.10193	25.8
123.04401	11.9
123.07980	5.2
123.11719	38.4
131.04935	8.7
133.02840	54.1
133.10147	12.0
135.04369	8.0
135.11682	11.3
137.05959	29.7
137.13235	8.9
139.03859	5.2
139.11174	23.7
145.06578	7.9
145.10100	7.8
147.04340	11.8
147.11653	12.1
149.05945	8.5
149.13246	13.9
151.11195	10.9
161.06059	8.2
165.12700	7.4
173.13206	5.5
175.03879	8.4
177.07016	8.4
177.16286	6.6
186.03201	6.0
191.08359	7.6
201.05409	18.9
205.06471	20.1
215.17914	5.6
219.08084	5.2
221.06035	7.8
222.06721	7.4
233.05995	10.6
237.09074	6.3
247.07529	10.3
249.05573	9.9
250.06219	9.3
264.07623	7.5
265.08640	16.4
278.05499	5.2
279.06192	4.8
289.25085	6.5
292.07217	7.0
293.08035	14.8
295.05814	5.3
307.09683	13.4
307.26294	16.7
325.06882	14.3
325.10660	31.6
325.16299	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	325.2737
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
50.53019	2.9
55.01868	3.8
55.05515	27.2
56.96557	7.0
57.03430	6.5
57.07079	19.9
59.05002	4.7
61.02935	2.9
66.94205	2.7
67.05509	34.5
68.32632	2.5
69.03434	6.2
69.07066	70.1
69.42469	27.0
71.04984	11.9
71.08641	13.9
79.05498	18.1
80.36901	2.8
81.07059	100.0
83.04981	7.1
83.08616	24.2
85.06528	8.9
87.84618	2.6
89.03918	2.9
91.05474	20.4
93.07051	53.0
95.04966	7.0
95.08607	68.4
95.78941	2.6
97.06515	8.0
97.10175	7.8
98.97546	3.4
99.08115	4.3
105.07029	20.6
107.08607	34.6
109.06486	5.6
109.10165	47.1
111.08085	28.4
111.11699	5.4
117.03382	4.4
119.04956	3.8
119.08624	16.9
121.10138	38.4
123.08057	5.4
123.11709	37.4
125.09614	3.1
131.08563	6.9
133.02832	6.8
133.10153	16.0
135.11723	15.5
137.05988	4.2
137.13263	14.6
139.11176	9.3
145.02840	12.5
145.10121	7.2
147.04414	9.4
147.11685	7.8
149.01190	6.3
149.13275	13.6
151.11200	7.7
151.12373	2.6
153.12712	6.1
156.03633	5.5
159.11719	3.9
161.13226	5.1
163.14925	4.7
165.12738	3.5
169.12294	4.1
175.14728	2.7
177.05467	19.7
177.16426	3.4
181.12239	3.9
191.17984	3.5
215.48764	2.7
233.06015	3.3
233.54791	3.1
244.09637	27.6
244.59810	8.2
265.08691	4.8
271.24240	5.1
287.11575	3.7
289.25256	7.4
307.09631	3.2
307.26321	8.6
325.11755	5.2
325.27362	19.3
325.62277	3.2
330.40076	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	325.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.8
55.01880	1.7
55.05510	1.7
56.05012	1.6
56.96553	1.0
57.03416	1.5
65.03948	1.3
67.05505	1.9
68.05012	1.7
68.74873	0.9
69.03423	2.8
69.07066	2.7
69.75284	3.2
69.75715	4.2
70.06607	1.8
77.03918	2.9
79.05493	7.2
80.05023	1.9
81.03452	1.0
81.07060	4.0
82.06579	2.2
82.27517	1.1
83.08598	1.4
84.04504	15.3
84.08140	2.6
85.02901	20.4
85.06511	1.0
86.06069	7.0
87.04469	1.3
89.03911	6.9
91.05469	11.7
93.05783	1.2
93.07037	8.6
94.04176	2.4
94.06472	1.2
95.01307	2.0
95.04966	4.5
95.08605	2.5
96.08118	2.0
98.06045	2.8
98.09679	1.3
98.21455	1.5
102.05534	11.2
103.05471	1.7
105.03358	5.0
105.07044	1.7
105.26315	1.0
107.04928	3.5
107.08570	3.9
108.08114	46.6
110.09685	5.9
112.03963	1.7
113.02359	1.9
115.05460	1.9
117.03365	3.2
117.07011	1.5
119.04940	5.5
119.08556	1.6
121.06500	1.5
121.10098	1.2
122.03641	3.4
122.09644	4.4
123.08015	1.5
123.10461	1.9
123.11732	1.3
124.07576	2.4
130.05000	88.1
133.02849	76.2
133.10146	2.4
134.03156	1.7
134.09631	2.0
135.04414	7.4
135.11661	5.7
136.11230	2.0
137.05965	17.2
138.09135	1.6
145.06485	2.2
147.04398	4.5
147.09158	1.7
149.05977	8.3
149.09676	2.2
150.06750	6.4
150.12755	14.9
151.13533	2.3
152.14339	100.0
154.15883	4.1
158.03716	2.3
161.05957	2.7
164.07195	1.9
165.05457	6.6
165.06830	1.6
166.46750	1.0
167.07040	1.9
169.10175	1.3
173.05954	3.2
175.03873	7.7
176.06281	1.6
177.05560	1.7
177.06989	3.2
178.15926	5.7
186.03163	1.6
191.08238	3.2
194.07259	3.0
195.07999	1.1
196.16968	34.5
196.18787	2.1
201.05487	11.3
205.06447	6.8
207.08136	1.2
221.06010	3.5
222.06668	3.6
223.07462	1.3
233.05966	6.1
235.18048	4.3
236.16444	1.9
237.09145	3.0
237.19649	1.5
247.07449	2.6
249.05478	3.0
250.06262	4.1
251.07111	1.3
261.05408	1.3
261.19669	2.0
264.07794	2.6
264.15933	13.5
265.08658	5.7
266.17734	1.2
277.05118	1.7
278.05771	2.3
281.18576	89.3
282.18866	1.6
283.20206	3.0
292.07321	5.1
293.08075	7.5
297.11047	1.2
307.09747	5.9
307.12927	1.3
307.19958	1.6
308.18625	6.2
325.10388	8.4
325.21213	73.9
326.21515	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2009
Annotation	Hynapene A
Peak:m/z	Relative Intensity
50.14163	4.9
53.03944	15.3
55.01883	25.5
55.05511	52.4
56.96563	5.4
57.03435	24.2
65.03953	6.0
67.05502	75.9
67.80231	5.6
69.03419	19.3
69.07062	42.3
71.04986	16.8
71.58744	8.6
73.02888	5.2
79.05492	89.7
81.03411	13.0
81.07058	99.9
82.04203	13.3
83.04990	22.0
83.08621	24.1
85.06547	14.1
86.09718	53.0
87.10049	21.6
87.99639	5.3
89.27276	4.7
91.05483	80.7
93.07051	83.8
95.04964	73.6
95.08607	47.1
96.05772	9.7
97.06520	33.3
97.10166	18.1
105.07020	64.8
106.07327	7.5
107.04955	62.1
107.08627	35.2
108.05749	10.8
109.06524	47.1
109.10159	31.2
111.08077	12.9
117.07017	24.3
119.08569	38.4
121.06528	46.2
121.10139	30.3
122.07304	5.7
123.04407	6.5
123.08106	16.1
123.11723	7.5
125.09615	11.5
128.06194	7.4
129.07045	10.9
130.07791	5.0
131.04964	6.8
131.08580	61.3
132.10258	7.0
133.06487	24.8
133.10089	30.0
134.10463	11.2
135.08063	22.7
135.11674	6.7
137.09598	9.9
139.07524	9.7
141.07010	7.2
143.08549	19.5
145.06450	9.9
145.10149	27.0
147.08069	28.8
147.11705	19.6
148.12035	6.3
149.09601	21.3
149.13380	5.7
151.07529	8.9
151.11186	26.3
152.11504	12.1
155.08553	7.3
157.10138	11.2
159.08081	13.5
159.11713	17.7
161.09641	20.1
163.11163	5.4
171.11688	12.7
173.09634	7.2
173.13220	9.7
175.11183	7.1
178.13573	7.1
183.11789	8.9
191.14366	8.5
201.12701	6.1
203.14374	6.1
219.13766	10.2
222.06772	6.2
225.11140	6.1
231.13603	5.3
237.14555	6.6
255.17558	8.1
261.18524	6.5
273.18475	100.0
279.21475	15.3
289.17938	14.0
291.19626	13.6
307.19077	8.6
325.20300	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	325.2008
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03941	8.8
55.01875	37.1
55.05520	28.8
57.03443	36.9
63.35828	4.6
65.03946	7.2
67.05508	86.6
69.03410	5.3
69.07073	25.2
69.45255	15.2
69.45663	34.0
71.04996	5.1
79.05077	6.7
79.05495	84.5
80.10325	4.9
81.03407	15.0
81.07050	79.3
83.04993	33.0
83.08588	8.6
87.35770	5.4
91.05481	72.2
93.07035	44.5
94.61504	6.0
95.04970	74.3
95.08606	35.8
97.02914	6.3
97.10153	5.4
98.07331	7.3
104.67366	4.9
105.07025	57.7
107.04962	95.4
107.08620	28.0
108.05732	8.4
109.06520	41.0
109.10148	14.0
111.04433	6.8
112.05235	11.2
112.67014	4.6
113.06055	5.6
115.05494	5.3
117.07020	38.6
119.04973	5.9
119.08588	41.0
121.06498	22.4
121.10158	19.0
122.07302	32.9
123.04446	8.9
123.08068	11.7
128.06238	6.3
129.06992	24.5
131.08560	35.8
133.06470	23.0
133.10098	16.9
135.08049	25.0
135.11681	11.7
136.51396	5.8
137.09561	7.1
141.06992	8.5
143.08575	18.6
145.06493	23.9
145.10117	18.2
147.08070	31.7
151.11116	5.6
155.08591	9.0
159.08051	7.6
159.11713	13.0
161.09705	34.0
161.13290	8.4
162.10339	6.7
163.11159	15.1
165.09119	7.0
169.10143	6.0
171.11693	8.3
173.13252	14.5
175.11209	8.1
184.82268	5.1
187.14754	15.9
205.15834	6.4
215.14317	20.4
224.34560	4.8
233.13072	4.8
233.15338	100.0
251.16576	11.3
290.18784	10.4
297.72775	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	325.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14163	4.9
53.03944	15.3
55.01883	25.5
55.05511	52.4
56.96563	5.4
57.03435	24.2
65.03953	6.0
67.05502	75.9
67.80231	5.6
69.03419	19.3
69.07062	42.3
71.04986	16.8
71.58744	8.6
73.02888	5.2
79.05492	89.7
81.03411	13.0
81.07058	99.9
82.04203	13.3
83.04990	22.0
83.08621	24.1
85.06547	14.1
86.09718	53.0
87.10049	21.6
87.99639	5.3
89.27276	4.7
91.05483	80.7
93.07051	83.8
95.04964	73.6
95.08607	47.1
96.05772	9.7
97.06520	33.3
97.10166	18.1
105.07020	64.8
106.07327	7.5
107.04955	62.1
107.08627	35.2
108.05749	10.8
109.06524	47.1
109.10159	31.2
111.08077	12.9
117.07017	24.3
119.08569	38.4
121.06528	46.2
121.10139	30.3
122.07304	5.7
123.04407	6.5
123.08106	16.1
123.11723	7.5
125.09615	11.5
128.06194	7.4
129.07045	10.9
130.07791	5.0
131.04964	6.8
131.08580	61.3
132.10258	7.0
133.06487	24.8
133.10089	30.0
134.10463	11.2
135.08063	22.7
135.11674	6.7
137.09598	9.9
139.07524	9.7
141.07010	7.2
143.08549	19.5
145.06450	9.9
145.10149	27.0
147.08069	28.8
147.11705	19.6
148.12035	6.3
149.09601	21.3
149.13380	5.7
151.07529	8.9
151.11186	26.3
152.11504	12.1
155.08553	7.3
157.10138	11.2
159.08081	13.5
159.11713	17.7
161.09641	20.1
163.11163	5.4
171.11688	12.7
173.09634	7.2
173.13220	9.7
175.11183	7.1
178.13573	7.1
183.11789	8.9
191.14366	8.5
201.12701	6.1
203.14374	6.1
219.13766	10.2
222.06772	6.2
225.11140	6.1
231.13603	5.3
237.14555	6.6
255.17558	8.1
261.18524	6.5
273.18475	100.0
279.21475	15.3
289.17938	14.0
291.19626	13.6
307.19077	8.6
325.20300	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	325.1393
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
52.48677	0.8
53.03936	1.4
56.58428	1.1
56.87485	0.8
57.03430	4.3
61.02926	2.1
62.00404	0.8
65.03596	0.8
69.03428	8.4
70.71577	2.0
70.71905	1.1
71.01349	2.2
71.04983	2.2
73.02925	1.8
73.30626	0.9
75.04474	1.3
81.03418	1.8
84.08138	1.9
91.05459	2.4
99.04451	2.9
108.08100	2.3
118.06526	2.9
120.08083	1.1
124.02728	1.0
130.04990	2.8
132.06792	1.9
133.02824	5.3
145.07602	7.9
146.08246	1.0
147.09167	91.1
148.09438	1.0
152.14349	4.1
159.09183	3.7
163.04008	1.6
191.08153	100.0
192.08553	1.3
196.16991	1.6
197.10561	1.1
233.05984	1.1
263.13919	2.0
281.14972	50.6
281.18494	4.4
282.15390	1.2
289.11783	1.1
293.08054	1.3
307.09695	1.4
307.12878	9.6
325.13937	64.7
325.24841	2.4
326.14282	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1069
Annotation	Vitexdoin C
Peak:m/z	Relative Intensity
53.03939	1.5
55.01865	3.9
55.05500	2.1
57.07046	1.5
63.58606	1.2
65.03925	1.7
67.05504	5.4
69.03403	1.5
69.07072	5.5
70.57822	3.5
71.04971	3.0
79.05474	3.8
81.07056	8.8
85.06543	1.7
89.03889	1.5
91.05482	14.8
93.07024	4.1
94.04176	1.1
95.04952	3.2
95.08620	6.1
102.04653	1.9
103.05462	2.9
104.16868	1.0
105.07004	4.0
107.04939	2.9
107.08565	3.8
109.10139	3.9
111.08056	2.4
111.92851	1.0
115.05452	5.9
117.07007	2.5
119.04942	8.2
119.08588	2.9
121.06487	2.5
121.10136	2.3
122.03645	3.9
123.04439	1.5
123.11692	3.7
124.07504	1.6
130.04117	3.4
131.04897	4.7
132.05705	1.2
133.02850	4.0
133.10149	2.0
134.03615	3.1
135.04410	3.5
135.11656	1.5
137.05978	31.0
137.13182	1.3
139.11195	1.6
141.03360	2.0
143.04945	3.1
145.06505	7.5
147.04408	3.8
147.11757	1.8
149.05974	7.6
150.06781	4.5
151.03918	4.4
151.07521	3.1
153.06981	1.4
153.12778	1.3
158.03645	9.3
159.04401	1.2
159.08015	1.5
161.06036	1.7
163.03784	1.4
163.07532	3.2
164.46190	1.1
165.06963	9.4
166.07756	4.2
171.04466	1.6
173.05989	11.5
174.06700	2.0
175.03908	5.6
175.07494	1.4
176.06206	10.9
177.05472	1.1
177.06987	18.9
178.07684	1.8
179.08540	2.0
180.05582	1.5
181.06548	2.2
186.03131	25.6
187.07526	1.6
189.07010	2.7
190.07707	2.0
191.08571	2.4
193.06459	6.1
194.07251	23.5
194.08925	2.1
195.07861	1.8
200.04703	2.7
201.05452	46.6
202.07768	1.4
203.07056	3.2
204.05672	7.8
205.06491	55.6
206.07153	5.9
207.08047	2.1
208.05191	2.6
209.09628	2.4
211.07545	4.2
213.35251	1.2
215.03284	1.5
217.06606	1.5
218.07288	1.7
219.04393	2.0
219.08134	7.6
221.05997	27.6
221.09569	1.9
222.06744	36.4
223.07527	4.5
224.04651	2.0
225.08995	1.3
226.06146	1.6
227.07060	3.6
231.07999	1.2
232.05106	3.4
233.05966	48.2
234.06725	13.0
235.07483	3.9
236.04619	2.8
236.08270	2.6
237.09094	25.3
238.06142	1.4
239.07027	10.0
240.07758	1.4
247.07529	11.1
248.08266	3.0
249.03073	2.0
249.05475	24.0
249.09216	1.4
250.06245	44.0
251.07022	9.6
252.04141	1.3
253.08598	1.3
254.05598	2.2
254.09491	2.6
255.06543	1.7
260.04742	1.8
261.05490	7.9
262.06146	2.1
263.06873	2.7
264.07831	21.6
265.08582	60.7
266.09235	5.6
267.06503	10.1
269.11871	1.4
275.07040	4.1
277.04941	12.0
277.08337	1.7
278.05731	24.0
279.06473	3.6
279.10135	9.4
281.07993	3.2
282.08859	6.6
292.07294	50.8
293.08066	72.6
294.08630	4.9
295.06122	7.1
297.11237	12.0
307.09637	100.0
307.26251	1.6
308.09991	3.8
309.07675	1.6
310.08273	9.5
325.10684	66.5
326.11270	3.5
326.19620	2.3
345.88873	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2896
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
55.05513	7.7
62.06090	100.0
63.86489	1.0
64.09195	1.0
67.05509	18.2
69.07068	7.3
79.05475	4.9
81.07063	17.2
83.08617	4.1
91.05468	3.0
93.07025	3.5
95.08605	13.7
97.10173	1.7
98.21507	3.0
105.07026	1.7
109.10155	6.8
119.08603	1.5
121.10116	1.9
123.11691	2.3
133.10150	1.5
135.11662	1.3
161.13251	1.8
166.77769	1.3
167.95149	1.2
245.22655	2.5
265.20602	1.2
306.28006	2.4
307.26242	3.8
324.29041	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	324.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.1
55.01871	3.3
55.05502	5.7
57.07072	4.8
58.06599	3.3
64.85696	2.1
67.05495	13.6
69.03421	2.4
69.07062	7.0
71.15007	3.0
71.15352	4.4
74.02444	48.9
77.27232	2.0
79.05492	45.8
81.03400	2.1
81.07060	28.2
83.04958	4.0
83.08611	2.4
84.08149	4.2
91.05475	17.8
93.07037	73.9
95.04973	6.1
95.08598	21.3
97.06523	5.4
105.07014	8.6
107.04967	15.7
107.08589	37.2
111.86797	2.0
117.07000	6.8
119.08603	2.6
121.02854	4.4
121.06504	4.0
121.10122	9.1
123.08050	2.3
125.05991	2.8
130.08630	54.1
131.08559	5.3
133.10141	13.1
134.12892	2.0
135.08054	8.7
135.11685	43.1
149.13249	57.5
151.11182	6.1
153.12679	4.0
159.11699	6.9
165.06989	2.8
177.12741	100.0
195.13823	4.9
206.07347	2.0
223.07370	2.9
237.09071	2.2
250.06221	2.9
251.06985	3.9
251.10606	2.3
252.15997	5.0
253.08493	2.8
263.21185	2.1
265.08646	5.0
279.46384	1.9
293.07916	4.9
297.11124	3.1
306.20572	17.4
324.22046	3.0
325.10654	8.6
337.09497	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.253
Annotation	Melophlin O
Peak:m/z	Relative Intensity
55.05505	1.8
57.07075	13.6
67.05515	4.0
69.07056	2.3
70.06591	12.7
70.79329	1.2
70.79670	1.7
70.99802	0.8
71.08642	5.0
79.05479	1.6
81.07059	4.4
82.06576	0.8
83.08611	2.0
85.10196	3.7
93.07063	0.8
94.45580	0.7
95.08613	5.0
96.08119	10.3
97.10154	0.9
97.73815	0.8
98.06042	0.9
106.06568	5.3
109.10163	3.1
114.05571	0.9
114.09164	3.4
120.08109	1.4
124.07575	3.3
138.09132	1.3
142.08632	38.2
183.87759	0.8
258.08777	0.9
260.23666	3.2
278.24796	27.2
279.25266	1.0
302.79526	0.8
324.25311	100.0
325.25613	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	324.2168
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
51.24266	0.8
55.01869	1.3
55.05500	3.4
56.96562	0.9
57.03418	1.0
67.05505	6.7
69.07069	11.8
69.58004	6.3
69.58434	1.7
73.46059	0.8
79.05496	6.5
81.07061	10.2
83.04969	3.2
86.09705	100.0
91.05481	10.6
93.07049	15.7
95.04967	4.1
95.08603	5.2
97.06541	1.9
97.10167	0.9
105.07021	14.0
107.04965	2.1
107.08598	6.1
109.06520	13.2
109.10165	2.7
111.08082	2.9
117.06998	1.9
119.08598	4.9
121.06481	2.6
121.10143	1.1
123.08061	1.8
128.10712	3.9
129.07014	2.1
130.93796	0.9
131.08548	6.2
132.10194	26.9
133.06482	1.1
133.10121	18.0
147.11694	11.6
149.09579	2.2
151.07605	3.1
151.11176	38.4
165.12749	3.1
175.11151	4.1
193.12279	4.2
206.38794	0.9
208.19737	1.0
210.14877	1.5
222.14790	1.3
260.20038	6.2
273.18515	2.1
278.21170	24.3
291.19693	0.9
306.20676	3.3
324.21753	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15881	1.8
53.03941	3.5
53.88351	1.8
55.01855	2.7
55.05516	10.2
57.03434	4.4
57.07075	3.8
58.06602	4.9
63.76331	1.8
64.25693	2.2
67.05502	17.2
68.05807	2.4
68.42927	1.8
69.07071	25.1
70.07388	8.1
70.08743	4.9
70.09134	4.7
71.04984	4.1
74.02441	43.4
79.05492	45.7
80.05843	3.7
81.07058	42.0
82.07396	7.2
83.04986	3.3
83.08623	5.6
84.08138	3.2
84.15355	1.9
91.05471	19.6
93.07043	83.1
94.07382	13.0
95.04971	9.0
95.08042	3.7
95.08605	41.3
96.05367	2.1
96.08929	12.1
97.06529	4.0
98.06897	2.3
105.04474	3.1
105.07016	11.1
105.92058	1.8
106.07323	2.6
107.04953	11.0
107.08593	36.6
108.08907	5.4
109.06502	6.2
109.10181	5.5
110.10479	2.4
111.08095	3.8
111.11742	3.4
112.08414	2.1
117.07019	4.1
119.08597	6.1
121.06522	5.2
121.10136	23.3
122.10458	12.1
123.08086	4.9
123.11690	3.7
124.11997	3.7
125.09605	2.8
126.09953	2.3
130.08638	42.4
131.08591	7.8
132.08858	2.3
133.10110	10.1
135.08058	7.0
135.11684	41.0
137.06009	4.1
138.09923	2.1
138.13626	3.3
139.11188	3.7
140.11513	4.7
147.04402	2.7
147.11760	3.5
149.13254	51.1
150.09909	2.1
150.13623	2.3
151.11174	4.6
153.12784	4.8
159.11710	5.0
167.10698	2.4
168.11037	6.0
177.12755	100.0
195.13861	3.4
234.18605	3.2
239.06992	2.2
252.15985	8.6
265.08777	2.5
292.10547	3.0
306.20645	18.7
306.24341	3.0
307.09775	4.7
324.22592	2.4
324.25891	11.7
325.11023	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	324.2167
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
53.03944	2.9
55.05503	4.4
57.07072	3.3
58.06578	4.1
59.83004	1.5
67.05500	13.9
67.51696	1.4
68.54707	1.4
69.03417	1.8
69.07063	9.9
70.22945	4.8
70.23348	3.0
71.08630	1.5
73.85447	1.4
74.02436	47.3
75.13291	1.4
79.05486	45.9
81.07054	29.8
83.04964	2.7
83.08621	3.9
84.08144	4.9
91.05478	14.0
93.07039	74.9
95.04965	5.4
95.08603	20.3
97.06546	3.7
97.89674	1.4
101.20565	1.5
102.09191	2.2
105.07020	5.9
107.04951	13.4
107.08590	45.0
109.06517	4.7
113.06036	2.0
117.06992	8.2
119.08578	4.0
121.06487	6.0
121.10125	7.2
123.08054	4.1
125.05970	3.1
127.78849	1.6
130.08635	48.9
131.08612	5.4
133.10138	10.1
135.08040	7.7
135.11688	45.7
136.12042	1.8
139.11176	1.7
148.66139	1.6
149.13251	66.6
151.11169	5.0
153.12758	4.0
159.11693	5.6
162.06401	1.8
172.09740	1.9
177.12747	100.0
190.40691	1.6
192.28169	1.5
195.13806	2.7
234.18523	3.4
252.15889	8.8
280.14490	4.2
283.06339	1.8
284.79437	1.6
288.19620	1.5
306.20676	18.7
310.11954	1.7
324.13388	1.8
324.21109	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	324.1957
Annotation	Carbazoquinocin E
Peak:m/z	Relative Intensity
53.03930	0.6
55.05492	0.6
67.05499	0.7
69.07050	0.6
69.85912	2.3
79.05490	20.8
81.07050	1.1
91.05475	1.0
93.07086	2.5
95.04955	1.5
95.08627	0.5
103.05464	41.8
105.07026	3.2
107.04952	22.4
107.05492	0.3
107.08604	0.4
118.06539	6.5
121.06475	1.8
131.04929	12.3
132.08087	2.5
133.08847	0.8
137.05988	0.4
137.84755	0.4
138.78697	0.4
146.09645	2.1
149.05972	0.5
160.11163	0.9
176.14343	51.6
177.14696	0.8
189.15097	0.6
202.67932	0.4
204.10126	0.5
233.14073	0.6
238.12210	0.5
242.62459	0.5
269.10730	0.4
280.13284	0.5
324.19562	100.0
325.19846	4.8
334.95068	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2579
Annotation	Pacificanone B
Peak:m/z	Relative Intensity
51.43449	2.6
53.03945	2.7
55.01863	4.8
55.05504	18.0
56.19055	2.6
57.03440	7.1
57.07065	7.9
59.04987	7.6
67.05508	34.8
69.03433	7.7
69.07067	59.5
69.42883	3.0
71.05007	14.6
71.10600	6.2
74.81905	2.4
79.05495	27.0
79.81599	2.6
81.07058	100.0
82.07378	3.6
83.04992	4.8
83.08619	10.7
83.78800	2.5
85.06547	4.8
91.05479	17.8
93.07046	68.9
95.04966	24.6
95.08606	98.2
97.06530	18.4
97.10183	5.6
99.08099	3.0
105.07037	28.1
107.07944	5.1
107.08599	40.4
109.06517	11.6
109.10159	35.5
111.08092	14.8
111.11698	3.5
119.08603	21.4
121.10138	54.9
123.08082	8.0
123.11710	33.8
125.09634	3.6
129.07018	3.2
131.08536	5.8
133.10135	15.1
133.55031	2.8
135.11705	22.9
137.09628	8.0
137.13248	29.3
139.11197	10.8
145.10141	6.8
147.04430	7.6
147.11678	17.4
149.09621	4.3
149.13232	17.0
151.11172	7.7
153.12770	10.4
159.11691	6.5
161.13284	4.1
163.11285	5.1
165.12782	6.2
167.10655	7.7
171.11551	2.9
173.13287	6.8
175.14873	5.1
183.13771	3.9
201.16360	3.7
213.16299	4.6
217.19373	3.5
231.08170	3.1
263.86929	3.2
269.22562	3.9
287.23660	8.6
291.10184	7.3
293.24765	2.8
305.24716	15.2
323.15121	3.6
323.25864	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2579
Annotation	Pacificanone B
Peak:m/z	Relative Intensity
55.05299	2.1
55.05511	21.4
57.03421	7.9
57.07069	4.5
59.04982	5.1
67.05501	39.2
69.03413	9.9
69.07070	68.1
69.88757	5.7
69.89171	8.9
71.04987	18.0
79.05488	43.6
81.07054	66.3
83.04990	5.4
83.08605	6.4
85.06509	4.4
91.05469	24.8
93.07042	100.0
95.04970	13.6
95.08610	79.2
97.06533	12.3
97.10152	9.1
97.67738	2.5
104.99445	2.4
105.07044	21.3
105.44254	2.3
107.04977	2.7
107.08576	37.0
109.06540	11.8
109.10151	33.9
111.08081	7.0
111.11700	9.7
119.04916	3.6
119.08602	12.8
119.09315	3.3
121.06544	3.5
121.10145	99.4
123.08061	12.1
123.11700	21.9
125.05950	4.1
125.09623	12.2
127.85341	2.4
131.08560	7.5
133.10107	4.7
135.07993	2.5
135.11710	11.7
137.05942	5.9
137.09608	9.7
137.13272	3.7
139.11177	22.9
144.16002	2.2
145.10150	7.2
147.04401	20.1
147.11708	4.0
149.09584	12.6
149.13254	3.5
151.11131	3.0
153.12738	4.7
155.10646	5.2
161.05957	8.2
163.01382	2.6
163.11182	7.8
163.14781	3.3
167.10651	23.0
181.12180	6.4
190.22003	2.2
202.07785	3.1
203.08594	3.4
231.07990	6.1
259.07562	4.1
260.08237	3.9
276.08051	3.4
291.10062	15.0
305.24661	6.9
323.12619	6.7
323.25757	24.0
342.50055	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
54.76246	2.7
55.01875	5.6
55.05512	21.3
56.05248	3.3
57.03433	9.5
57.07069	8.8
59.05001	6.6
67.05511	40.6
68.26862	3.0
69.03423	7.4
69.07069	65.2
69.71600	22.3
71.04987	11.2
79.05496	36.5
81.06581	5.0
81.07053	92.0
83.04972	11.8
83.08612	8.7
85.06521	5.7
91.05477	29.3
93.07043	99.7
95.04984	23.3
95.08604	100.0
97.06535	15.7
97.10171	7.2
98.21418	4.3
99.08098	3.5
105.07037	32.5
107.08595	51.8
109.06511	14.7
109.10150	29.8
111.08080	12.4
111.11708	9.2
113.05933	3.2
117.06950	3.7
119.08570	26.0
121.10143	86.0
123.08052	10.1
123.11682	29.9
125.09630	14.5
131.08563	12.4
133.10112	28.3
133.75423	3.0
134.10484	3.1
135.11658	12.5
137.06021	6.7
137.09612	9.1
137.10622	3.1
137.13231	13.0
139.11179	19.5
140.42792	3.1
145.10088	12.5
147.04414	6.4
147.11667	12.5
149.09586	10.9
149.13240	11.3
151.11275	3.9
154.20203	2.8
155.10712	3.4
157.10146	8.8
159.11713	8.8
161.05905	5.5
161.13206	4.0
163.11241	5.2
163.14809	16.7
165.12700	5.9
167.10683	25.2
171.11632	4.2
172.12473	4.5
173.13266	11.6
175.14847	6.2
185.11716	4.8
185.13268	5.6
187.14839	34.6
201.16351	3.6
203.08455	3.6
231.08138	4.7
287.19995	5.9
291.10028	6.7
305.21164	5.8
305.24728	10.7
323.12936	4.8
323.25867	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	323.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.3
54.68596	4.3
55.01878	6.2
55.05509	16.2
57.03424	12.0
67.05511	34.1
69.03437	4.4
69.07082	24.9
71.04981	12.8
73.06559	11.7
79.05500	29.4
81.03415	5.0
81.07069	37.9
83.08607	11.3
85.06550	5.6
91.05477	27.3
93.07031	29.0
93.97887	3.9
95.04965	14.9
95.08611	24.4
97.06534	16.8
98.20737	9.0
99.08095	100.0
103.97609	4.4
105.07034	25.5
107.04977	4.5
107.08593	22.6
109.06510	24.4
109.10165	12.0
111.08089	8.3
113.05986	8.6
117.07021	11.2
119.08582	21.2
121.06522	7.2
121.10149	15.4
123.08074	8.4
123.11675	7.7
125.06017	4.5
127.07577	6.0
128.06184	3.9
129.06999	7.6
131.08530	18.7
133.06442	4.0
133.10149	12.8
135.08029	13.2
135.11723	8.4
137.09605	7.1
141.09122	4.4
143.08539	9.2
145.10126	13.4
147.08058	9.7
149.09547	6.1
149.13280	5.1
157.10187	9.0
159.08116	3.7
159.11697	8.7
161.09660	8.9
161.13277	5.1
163.11168	6.3
164.09715	3.9
171.11674	6.4
178.51639	4.6
181.10201	7.0
185.13303	4.5
201.20560	4.8
211.14693	5.1
213.16399	5.9
217.15912	5.8
227.10751	9.7
231.07947	5.1
249.18379	5.8
255.17352	9.0
273.18515	31.0
279.06363	7.3
290.05792	5.0
291.19608	20.0
305.21155	11.7
308.06955	9.4
323.09137	25.1
323.12460	5.1
323.16412	10.4
323.23703	9.4
324.09427	5.2
324.41763	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	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36932	2.9
55.01856	3.8
55.05511	25.3
56.76564	2.6
57.03427	8.1
57.07064	7.5
59.04988	4.5
67.05504	30.1
69.03428	8.7
69.07067	54.6
69.71984	10.0
69.72410	7.4
71.04983	6.6
72.99596	2.5
77.61716	2.5
79.05495	37.0
81.07050	81.3
83.04974	10.8
83.08614	12.0
85.06544	8.7
91.05479	24.5
93.07041	82.9
95.04982	23.1
95.08606	100.0
97.06550	13.8
97.10166	3.1
99.08106	5.7
101.05997	3.4
105.07027	28.7
107.07890	2.5
107.08591	49.7
109.06495	15.5
109.10153	38.0
111.08077	17.5
111.11720	5.8
117.07064	6.9
119.04953	3.5
119.08560	20.1
121.06550	3.6
121.10140	82.3
123.08062	13.1
123.11699	30.2
125.09638	11.7
131.08536	12.2
133.06467	2.7
133.10129	32.1
135.11685	11.1
137.05977	5.9
137.09636	11.3
137.13292	11.3
139.11192	18.9
143.05949	2.9
143.07043	6.0
145.10138	14.6
147.04451	4.6
147.11700	14.2
149.09612	10.7
149.13252	8.6
151.11142	3.2
153.12744	3.2
155.10670	4.9
157.10152	6.8
159.11694	13.4
161.05963	4.1
161.09604	2.6
161.13258	6.5
163.14774	15.4
165.12793	5.0
167.10689	22.2
171.11679	5.2
173.13304	9.7
175.14896	6.5
185.13251	3.3
187.14807	35.0
199.14830	2.6
205.15834	3.3
206.83879	3.1
229.19672	2.6
231.08051	4.4
235.96829	3.0
241.19508	4.3
248.08231	3.8
263.10898	3.2
276.07855	4.4
287.20297	3.4
287.23669	4.2
291.10208	6.2
305.21295	5.4
305.24823	6.8
307.42828	2.9
323.12778	6.9
323.22336	3.9
323.25763	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	323.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.7
55.01869	14.0
55.05516	46.4
57.03437	5.6
62.57576	4.5
67.05506	85.6
69.03439	8.7
69.07068	44.6
69.87430	26.0
70.66867	3.9
71.04983	6.0
79.05494	74.1
81.03434	6.8
81.07058	90.3
83.01344	10.0
83.04984	19.4
83.08627	17.4
85.06535	7.3
91.05489	64.1
93.07050	69.8
95.04977	26.0
95.08607	48.6
97.06551	15.6
97.10156	9.4
99.31070	3.9
103.05444	5.0
105.07037	58.3
107.04980	12.4
107.08590	49.0
109.06521	19.2
109.10167	46.0
111.04458	15.8
111.08093	23.6
117.07026	11.1
119.08588	29.4
121.06503	27.3
121.10168	21.6
123.04474	7.3
123.08067	10.9
123.11723	11.6
125.06021	11.5
125.09650	4.1
129.07024	13.2
129.08661	5.0
131.08598	22.3
133.06503	13.8
133.10124	77.3
135.08066	10.3
135.11711	17.2
137.05968	7.4
137.09607	9.6
139.07545	17.2
142.07837	5.9
143.08603	13.7
145.10149	18.4
147.08070	19.1
147.11705	11.9
149.09676	13.2
151.11186	56.0
157.10147	8.7
158.15527	4.0
161.09595	23.0
161.13217	5.1
163.11264	9.2
165.09135	6.3
165.12764	4.2
171.11732	10.4
175.11215	11.6
177.09102	4.5
179.10684	13.4
181.08578	5.5
183.13853	11.1
189.12735	9.3
199.11295	6.0
203.14256	4.2
207.13757	7.2
217.12202	7.6
227.17967	6.9
245.19051	18.4
255.17169	4.9
263.19962	28.2
273.15714	6.9
273.18494	52.4
276.89938	4.1
291.19534	100.0
305.21201	8.4
323.22208	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	323.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.2
55.01866	8.2
55.05266	2.8
55.05516	34.1
60.14771	1.6
62.06087	27.3
63.06416	1.8
67.05502	20.4
69.03429	5.3
69.07073	19.8
70.76148	5.5
71.04996	2.6
74.36145	1.7
79.05491	25.7
81.03428	2.8
81.07062	21.7
83.04961	3.6
83.08618	18.2
91.05483	14.7
93.07060	15.4
94.07362	2.5
95.01305	2.3
95.04974	9.6
95.08604	13.5
97.02830	2.3
97.06556	4.4
97.10175	29.6
105.07044	11.0
107.04980	5.4
107.08604	16.5
108.05719	1.8
109.06510	3.1
109.10172	6.1
117.07066	4.9
119.08591	10.2
121.06489	3.5
121.10155	6.6
123.08065	7.2
125.09634	26.4
129.07008	2.0
131.08586	9.5
133.06477	5.6
133.10110	4.2
135.08054	7.3
135.11696	2.3
137.09575	2.5
143.08554	3.5
145.06374	2.4
145.10114	6.7
147.08040	5.8
147.11739	3.1
149.09630	4.8
153.09134	4.9
165.09071	3.1
172.76566	2.1
175.11169	2.3
203.12781	13.2
210.36969	1.8
223.13336	10.5
255.17509	3.6
263.20273	2.2
273.18475	11.6
275.76535	2.1
276.34128	2.0
282.44238	1.8
291.19553	100.0
292.19955	2.6
305.21127	27.5
323.22256	8.7
323.27774	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2217
Annotation	Rapanone
Peak:m/z	Relative Intensity
51.94445	1.4
55.01859	3.0
55.05503	2.4
57.03436	27.1
61.47520	1.6
64.44599	1.5
65.03933	2.2
67.05513	19.6
69.07058	4.9
71.04975	2.4
79.05490	10.6
81.03458	1.5
81.07061	12.0
83.08610	1.9
85.06554	29.7
85.78176	1.6
91.05481	11.1
93.07027	8.9
95.04969	31.5
95.08604	5.5
97.06542	2.1
101.00658	1.3
105.07026	7.3
107.04958	2.5
107.08581	9.2
109.06522	26.6
109.10181	3.0
113.06006	100.0
115.05478	1.8
117.07011	5.2
119.08582	4.4
121.10117	2.4
123.08047	2.2
129.07007	2.2
131.08595	7.2
133.10141	3.0
135.08055	21.0
135.11671	1.8
143.08580	3.8
145.10081	3.2
147.08107	1.5
149.09642	3.2
157.10094	3.3
159.11684	2.3
161.09589	3.1
163.11180	2.3
173.13281	1.7
199.11032	1.6
217.15924	6.5
255.17468	1.6
273.18448	11.1
291.19565	26.5
292.20218	1.9
344.69702	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	5.7
56.96567	3.2
57.07074	2.7
59.05005	4.5
67.05500	8.3
69.03419	3.5
69.07067	6.0
69.41208	17.4
70.06581	1.9
73.06544	4.6
75.92700	1.7
79.05486	3.1
81.07062	7.8
83.08622	2.5
84.08130	1.5
85.06547	26.9
87.04471	51.6
89.06034	100.0
91.05458	3.0
93.07047	4.1
95.08598	3.7
97.02894	4.3
98.21473	2.9
98.97579	2.6
100.11267	1.9
103.05444	2.0
105.07012	2.0
107.04940	3.1
107.07072	3.9
107.08627	3.0
109.06493	2.1
111.08086	2.0
116.98645	3.1
117.09131	2.3
119.08560	3.0
120.08090	1.9
121.10165	3.3
122.03638	3.1
129.09123	17.8
130.08665	2.1
131.08588	1.9
133.08594	28.1
134.99677	2.9
137.05977	19.0
146.99687	3.4
147.04416	2.3
147.11748	2.4
153.01865	9.5
161.05994	10.9
173.11852	2.8
177.11258	2.9
177.41431	1.8
179.03937	1.7
180.98718	1.9
182.15408	1.9
188.39502	2.2
191.07054	5.6
197.04834	2.0
199.07559	7.2
202.07796	5.6
203.08549	7.4
220.08809	2.4
231.08034	9.3
232.08893	1.8
237.02835	6.8
247.07425	1.9
248.08238	5.5
250.10255	1.8
259.07654	7.4
260.08359	4.2
261.08856	2.3
263.10712	4.9
276.07776	4.9
291.01874	1.7
291.10141	12.7
292.10852	4.4
295.13181	2.5
305.25134	1.8
306.13208	2.4
323.09009	3.7
323.12585	15.4
324.13483	2.6
341.08978	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	323.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.3
55.01860	0.4
55.05500	0.9
57.03409	0.3
67.05502	1.3
69.03418	0.6
69.07055	1.2
70.06584	0.3
71.04974	0.3
71.58044	0.6
75.84485	0.2
79.05492	4.5
80.04987	0.9
81.03395	1.0
81.05798	4.3
81.07063	4.9
82.06568	0.6
83.04968	0.6
84.08108	0.3
86.09714	0.3
88.96455	0.3
89.02132	0.3
89.03858	0.3
91.05484	1.6
93.07043	1.8
94.06597	0.6
95.04958	1.6
95.08591	1.3
96.04475	0.5
96.08125	14.6
97.02891	0.3
97.06516	0.5
98.97581	0.3
105.07014	0.9
106.06577	2.0
107.04968	0.7
107.08571	1.0
108.08124	0.3
109.06499	0.7
109.10167	0.5
111.08084	0.3
115.05406	0.4
116.98638	0.3
117.03387	0.9
117.07027	0.5
119.04939	0.4
119.08559	0.8
121.06506	0.3
121.10104	0.8
122.06042	0.4
123.04425	0.6
123.08057	0.4
123.11683	0.4
124.07585	100.0
125.07938	0.7
130.06537	0.4
131.04950	0.3
133.10182	0.4
135.07997	0.5
136.07561	4.5
137.05980	2.6
138.05447	0.4
138.09138	1.7
140.07034	0.3
145.01813	0.4
145.02783	2.0
145.10139	0.4
146.05991	2.5
147.04375	1.5
147.11711	0.4
149.05992	0.4
151.03915	0.5
161.05969	0.4
164.07040	2.7
165.05489	1.3
165.12794	0.3
166.04962	0.6
172.86929	0.3
173.07187	0.3
175.07471	0.3
177.05447	3.5
182.08096	1.8
183.06522	0.6
184.05960	0.3
187.07561	0.5
191.06953	0.5
200.09091	0.3
200.10785	0.5
203.07030	0.6
214.12282	0.4
215.10735	0.4
218.11728	0.5
231.08008	0.5
241.63766	0.3
242.11728	0.4
245.08066	0.4
246.11169	1.3
260.12836	0.9
260.26752	0.3
263.09021	0.3
264.18906	0.3
277.15576	0.3
287.12711	0.3
288.12259	1.0
291.10092	0.7
306.13394	2.5
316.42377	0.3
323.12357	0.4
323.15768	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.149
Annotation	Methoxycurvularin
Peak:m/z	Relative Intensity
55.01867	0.8
55.05501	1.1
55.31142	0.5
56.44078	0.7
57.07073	0.8
67.05496	2.0
69.03412	2.4
69.07061	1.6
69.78516	3.9
71.04998	0.8
79.05486	2.4
81.07053	4.3
84.43240	0.5
91.05473	5.5
93.07044	2.9
95.04973	1.0
95.08574	1.6
96.08120	1.5
98.20809	1.1
98.97586	0.7
103.05470	1.7
105.07033	3.7
107.04956	2.0
107.08582	1.2
109.06522	1.0
109.07195	0.5
109.10147	2.0
111.08082	1.4
112.99977	0.6
115.05447	3.4
116.06235	2.1
116.98632	0.8
117.07036	3.4
119.04934	0.5
119.08572	1.1
121.06538	1.0
121.10140	2.2
123.11719	0.9
124.07584	5.0
128.06227	6.4
129.07010	18.8
130.07794	1.1
131.04942	1.5
131.08563	15.7
132.05661	1.1
133.06476	2.2
133.10147	2.5
134.99709	0.9
135.11685	0.8
136.07573	7.4
137.05922	0.7
138.05473	1.1
141.06989	6.6
142.07784	3.8
143.08586	3.4
144.05719	7.2
145.02864	1.2
145.06514	4.9
145.10107	0.7
146.06068	1.1
146.07275	2.4
147.04430	2.0
147.08061	0.7
147.11708	0.7
151.11188	0.6
152.06178	0.9
153.06966	1.6
155.06047	1.4
156.05763	0.9
157.06491	7.9
158.07272	2.4
159.04472	0.7
159.08058	23.7
159.11626	0.7
160.05165	0.9
161.05923	2.7
161.09641	7.2
164.07060	12.0
167.07031	1.0
169.06419	1.2
169.07683	1.8
170.07259	5.7
171.08038	5.3
172.05234	3.3
173.06036	4.9
173.09683	0.7
174.06783	3.9
175.07536	2.4
177.05450	2.1
178.06264	1.4
182.06847	0.8
182.08154	8.4
182.39777	0.7
185.05963	1.5
186.06755	1.1
187.07542	17.6
188.08301	1.8
189.05489	2.3
189.09091	8.7
190.06281	1.5
191.07054	1.5
198.06776	1.7
199.07532	3.2
201.05457	1.4
201.09177	1.2
202.06174	1.4
203.07050	4.7
203.10736	0.8
204.07820	11.4
205.08583	3.0
206.09381	1.2
216.07849	3.0
217.08556	5.2
218.09387	1.5
219.10211	2.7
221.11746	2.6
230.09442	1.0
231.10155	6.3
234.08809	1.2
249.11227	20.4
261.11169	1.0
285.85303	0.6
291.12341	5.4
295.09735	1.4
323.09192	3.2
323.14893	100.0
324.15247	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1275
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
50.62695	1.2
55.05493	3.2
56.96560	3.8
65.63741	1.2
65.66612	1.2
67.05481	2.7
69.07051	5.7
71.04971	1.7
71.58619	1.6
73.29146	1.2
73.90327	1.2
74.50524	1.3
76.25574	1.3
77.82645	1.7
79.05478	3.4
81.03400	1.8
81.07066	6.9
88.29149	1.3
91.05473	4.7
93.07021	4.4
95.04970	1.8
95.08567	4.4
97.02885	12.2
97.06551	1.6
97.10182	3.8
98.97550	1.4
103.05447	1.7
105.07027	12.4
107.04946	2.4
107.08574	2.8
109.06508	2.5
109.10170	3.3
111.11708	1.4
115.05428	3.0
119.04906	1.6
121.10131	2.1
122.03663	2.1
126.17155	1.4
127.41142	1.4
128.06161	1.7
131.04921	2.7
133.06467	7.8
134.99643	1.7
137.05971	20.8
137.09714	1.4
139.11171	2.4
146.03625	5.0
148.05150	2.0
153.01794	3.3
161.05977	68.1
163.07553	5.4
167.04990	1.8
169.06439	1.4
175.07605	1.6
191.07040	14.6
191.08583	5.1
192.09334	4.0
199.07500	12.5
202.07776	23.5
203.08545	31.2
204.09116	1.9
205.06577	3.3
207.08147	1.5
219.08043	11.3
220.08856	9.7
221.09534	2.1
230.07239	4.7
231.08054	49.1
232.08713	9.1
235.11267	2.3
247.07578	9.7
248.08301	24.1
252.08093	1.9
258.06842	2.6
259.07526	33.9
260.08282	22.4
262.09668	1.6
263.10687	21.4
265.08661	2.0
275.07147	5.9
275.10504	1.7
276.07791	20.6
277.08401	4.3
282.13922	4.2
291.10135	100.0
292.10687	6.5
293.08038	5.1
295.13287	2.5
300.14819	12.8
308.10440	4.6
318.15897	7.5
323.12796	49.4
324.13071	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	323.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37946	5.0
56.96561	25.3
57.38762	5.1
70.74078	14.8
70.74414	7.2
84.42615	5.6
84.76603	5.4
84.96038	8.0
98.97587	18.2
109.82421	4.8
116.98594	12.2
119.01933	14.3
131.01889	11.8
133.03499	5.9
134.99800	5.2
143.00124	9.9
143.01796	6.6
145.03441	11.8
157.03484	12.3
159.05099	10.1
161.01175	7.7
161.02946	27.7
173.01251	10.3
173.02936	15.6
175.04550	12.0
177.00745	6.4
185.02982	8.5
193.05550	11.9
207.73242	6.1
217.05513	6.2
221.05074	13.2
227.04106	8.5
233.05127	7.7
237.02818	9.1
263.06161	8.7
269.05450	65.1
287.06470	17.3
323.07416	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1276
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
56.91842	1.0
63.45982	1.1
66.91940	1.0
69.75823	5.7
79.05528	1.6
81.07064	2.0
91.05479	1.6
94.04173	1.6
98.20858	1.4
103.05458	3.6
105.07032	13.3
107.05024	1.3
109.06521	3.1
115.05444	5.9
118.04099	1.3
122.03654	3.1
128.06194	2.1
131.04967	2.6
133.06517	8.7
137.05980	28.9
146.03566	7.2
149.05983	1.3
157.71803	1.1
161.05986	75.1
162.06366	1.3
165.07025	1.3
175.07607	1.7
178.07813	1.5
184.05199	1.9
191.08527	5.5
192.09367	4.0
199.07538	13.8
202.07771	25.4
202.09517	2.0
203.08551	30.3
204.09268	1.7
205.06544	3.1
213.07114	1.3
215.08559	1.5
219.08058	13.6
220.08862	12.3
221.09544	1.1
230.07213	5.4
231.08058	60.4
232.08736	11.8
233.06111	1.3
233.09679	2.2
234.06750	1.4
235.07561	1.4
235.11159	1.6
237.09103	1.5
243.08028	1.4
245.05876	1.5
245.09645	2.5
247.07564	9.8
248.08340	26.6
248.10812	2.0
249.08925	4.0
258.06796	6.0
259.07544	44.0
260.08301	27.7
261.08945	2.9
262.09842	2.4
263.06937	1.0
263.07581	1.3
263.10675	22.9
265.08545	2.7
273.09186	1.6
275.07053	5.4
275.10162	1.3
276.07794	17.7
277.08563	6.3
290.09277	1.2
291.10144	100.0
292.10739	11.4
293.08087	4.8
295.13361	4.4
308.10367	4.1
323.12808	52.6
324.13174	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.076
Annotation	Leucodelphinidin
Peak:m/z	Relative Intensity
53.03930	2.6
55.01869	4.4
65.03894	1.2
67.01865	4.6
67.05496	3.1
68.99786	11.9
69.85266	6.0
70.06584	5.4
71.94775	1.4
72.08149	3.9
74.06091	1.4
75.96733	1.1
78.04700	2.9
79.01855	2.7
79.05481	1.7
81.03406	3.1
81.07072	1.7
83.01373	2.9
83.04982	1.2
83.83778	1.3
84.04513	2.6
84.08141	3.2
86.09702	4.8
90.01033	1.4
91.05451	2.8
95.04958	5.8
97.02916	1.7
99.00839	1.3
105.03410	1.5
105.06995	1.5
106.04169	1.7
107.04975	3.2
109.02890	4.1
111.00800	1.2
111.04434	2.8
113.02369	1.4
115.05468	2.0
119.04964	4.4
120.08073	1.5
123.00853	1.5
123.04430	72.0
124.05228	25.2
125.02352	6.4
127.03900	3.1
129.10283	1.7
135.04407	5.4
137.02322	6.4
139.03909	33.4
141.01855	1.8
143.03423	4.9
146.06012	4.4
147.04402	12.1
149.02313	1.3
150.03146	1.9
151.03917	4.5
152.04703	12.2
153.01839	42.7
153.02824	1.5
153.05432	1.6
154.02571	4.7
155.03395	100.0
161.05991	4.7
163.03886	9.2
165.05455	3.4
167.03404	2.3
171.02927	2.6
175.03943	1.8
177.05498	4.2
179.03456	1.8
181.04936	1.8
183.02959	3.0
189.05434	1.7
197.04501	2.0
201.05338	1.4
203.03629	1.3
213.05580	2.3
217.04947	1.7
231.06303	1.4
241.04878	2.4
245.00761	1.7
245.04509	2.4
259.06189	1.5
283.26346	1.5
287.05475	2.5
305.06528	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	323.0761
Annotation	Leucodelphinidin
Peak:m/z	Relative Intensity
53.03942	1.7
55.01865	2.7
65.03928	4.3
67.00946	1.2
67.01864	2.1
67.05487	4.1
68.99785	5.4
69.03418	4.4
69.25810	16.4
76.65825	1.2
79.05479	4.6
81.07056	1.4
81.12779	1.4
83.04984	2.3
93.03377	2.3
95.04979	6.2
97.02892	11.2
99.04447	3.3
107.04977	6.8
108.25292	1.3
109.02895	2.1
111.00774	1.5
111.04430	7.0
112.37355	1.2
114.43005	1.4
121.02853	2.0
121.06507	1.6
123.04439	11.4
127.03928	6.4
127.71361	1.3
131.04921	1.5
133.02838	2.2
135.04443	11.7
137.02325	2.8
139.03902	100.0
140.04330	1.3
143.03403	1.7
147.04410	4.4
148.11124	2.1
151.03899	15.1
153.01837	6.4
155.03389	42.7
156.03790	2.8
157.06442	2.4
159.04364	3.2
163.03893	24.9
165.71709	1.2
167.03479	2.2
169.05029	2.2
175.03874	3.2
177.05493	1.7
179.03360	8.9
181.04985	20.4
185.62772	1.3
189.05566	2.3
191.06903	1.5
193.05005	4.5
197.06013	1.9
201.05449	3.7
201.58717	1.3
203.03369	2.8
206.05843	1.6
212.04689	4.7
213.05516	3.3
231.06511	2.0
240.04185	5.0
241.04868	2.3
243.06496	4.4
245.04422	4.6
259.06052	4.7
261.07642	4.5
269.04477	15.3
277.06976	2.0
287.05515	11.7
305.06577	6.2
328.84451	1.6
341.76614	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.076
Annotation	Leucodelphinidin
Peak:m/z	Relative Intensity
51.02399	1.2
53.00307	1.3
53.03935	1.5
55.01859	3.4
56.05049	1.1
59.63982	1.0
65.03928	1.8
67.01849	3.3
67.05492	3.1
68.99795	6.5
69.03414	4.0
69.45394	5.6
69.45795	2.8
70.06578	2.3
71.04967	1.3
72.08147	3.2
74.85876	1.0
79.01849	5.9
79.05501	6.1
81.03419	1.9
81.07066	1.3
83.04981	3.6
84.08117	1.4
85.02924	1.4
86.09688	2.3
91.05468	2.2
93.03452	1.9
95.04961	6.4
97.02398	0.9
97.02906	8.2
98.06006	1.3
98.21523	2.0
99.04434	2.3
103.05507	1.4
105.07021	1.2
105.76687	0.9
106.04172	0.9
107.04942	7.5
109.02836	2.5
111.00816	1.2
111.04442	8.3
117.07611	1.0
118.99639	1.0
121.02871	2.8
123.04423	11.8
125.02348	2.7
127.03902	5.7
129.10184	1.5
131.04941	1.3
135.04393	11.0
137.02348	2.5
138.96677	0.9
139.03899	100.0
140.04216	2.4
141.07011	1.2
143.03413	6.2
144.37697	1.1
145.02811	1.6
145.06470	1.3
146.06018	1.3
147.04399	4.5
149.02328	2.2
149.05980	1.4
151.03905	14.2
153.01828	48.4
153.02931	2.2
153.05376	1.0
155.03394	42.3
156.03699	4.4
159.04439	2.0
163.03896	26.5
165.05472	2.1
167.03394	4.0
169.04823	1.2
173.05913	1.7
175.03889	2.7
177.05415	3.2
179.03403	10.2
181.04942	18.5
185.05952	2.2
187.07516	1.3
189.05458	2.1
193.04881	5.1
201.05434	2.8
203.03415	1.3
212.04628	3.7
213.05481	3.3
215.07011	2.2
216.04329	1.2
217.05019	2.9
231.06583	3.1
240.04057	5.1
241.04955	2.5
243.06543	4.1
245.04524	4.1
259.05951	5.9
261.07608	5.6
263.10333	1.8
269.04434	16.7
277.07187	2.0
287.05505	14.7
305.06686	5.9
305.09805	0.8
305.10883	0.8
323.07703	1.7
323.12070	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0396
Annotation	Digallate
Peak:m/z	Relative Intensity
50.01601	0.7
51.02369	1.0
51.59706	0.5
56.96552	0.6
65.03939	0.7
67.01859	0.7
67.05472	0.8
68.99773	1.0
69.03408	0.6
69.60391	3.3
70.06583	1.4
72.08144	1.5
79.01856	8.2
79.05490	0.5
81.03407	0.6
84.08141	1.0
86.09720	1.1
91.05487	1.2
97.02876	1.8
105.06956	0.7
107.01324	2.2
107.04977	1.3
109.02852	0.4
111.04453	0.5
119.04960	2.9
123.04433	5.9
124.05207	2.2
125.02349	5.9
127.03923	0.7
137.02310	0.6
137.05962	0.7
139.03923	3.4
143.03394	10.4
145.61378	0.5
146.06052	3.1
147.04410	8.8
152.04646	1.1
153.01830	100.0
153.02838	4.4
154.02228	1.9
155.02289	0.6
155.03406	7.2
163.03920	0.6
263.10596	0.6
285.36795	0.5
323.12402	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.074
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	23.8
59.20609	2.3
64.75000	2.5
70.10191	10.4
78.21743	2.5
82.06558	3.0
84.96016	10.6
88.73341	2.3
98.20842	3.3
98.97582	21.0
100.07625	4.7
105.29271	2.2
110.97617	2.7
111.33368	2.3
112.13234	2.4
116.98622	14.1
117.25784	2.3
118.63167	2.3
119.00169	2.8
119.01936	11.7
127.00653	2.7
128.98581	4.6
131.00169	3.9
131.01939	6.4
133.03493	3.4
134.99660	3.7
137.02876	2.8
139.02527	3.0
141.99370	3.1
143.00107	12.1
143.01880	5.2
145.03474	11.6
146.08109	7.4
147.63531	2.5
149.01291	3.5
155.02090	2.7
157.01721	4.2
157.03439	10.7
158.99709	3.2
159.05029	6.5
161.01181	11.7
161.02992	20.0
173.01329	4.6
173.02982	9.9
175.03015	3.9
175.04546	8.9
177.00714	6.9
185.02933	5.4
191.02382	5.7
191.03987	5.9
193.05544	6.8
203.03960	4.1
209.03362	2.4
219.01749	3.6
221.05103	9.7
233.03160	4.9
233.05154	8.9
235.06592	3.3
237.02892	5.1
251.04404	9.2
255.07484	3.3
263.06143	8.9
269.05475	55.9
287.06479	20.2
297.04785	3.6
323.07385	100.0
341.07632	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	323.0743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12925	2.8
53.69197	3.0
55.01857	6.3
58.06047	3.0
61.02919	9.6
67.05496	3.9
69.03429	15.2
69.07053	3.4
69.92518	15.5
70.06590	4.9
72.28722	3.1
73.02921	5.4
81.03403	8.1
83.01328	3.7
84.04476	3.4
84.08129	6.5
85.02905	35.4
86.09702	6.0
88.04002	5.2
89.03890	3.8
90.38042	3.4
91.05487	5.0
93.65904	3.1
94.06551	4.9
95.04971	3.6
97.02885	14.5
100.91022	3.5
103.05466	7.9
105.07011	4.3
107.04957	5.8
109.02821	3.9
110.06026	5.3
111.04372	3.5
115.05416	5.4
119.04955	7.6
122.06046	3.4
123.04411	7.5
127.03918	7.9
130.06580	4.6
131.04932	17.8
135.04411	16.7
136.07576	3.9
137.02357	9.9
137.06032	4.8
139.03925	17.0
141.06952	6.8
143.04907	3.4
145.02829	5.2
145.06470	4.6
146.05991	33.6
147.04442	19.3
148.03935	7.1
148.07562	3.2
149.05978	12.9
151.03835	4.0
158.06007	5.1
159.04361	7.7
161.02100	64.3
162.05431	4.5
163.03896	45.2
169.06494	7.7
171.04372	4.4
172.05034	3.7
173.05852	6.6
173.07130	12.3
174.05501	18.5
175.03899	9.6
175.08661	3.9
177.05452	36.2
179.03421	4.6
185.04211	92.5
185.05760	5.1
189.05486	17.6
191.03441	4.9
191.08238	6.0
197.06026	5.4
198.24597	4.0
201.05515	10.1
203.03519	6.0
203.05295	31.3
205.04947	44.8
207.02936	8.0
207.11264	7.2
213.05545	7.5
215.07098	4.3
217.04858	15.4
226.06929	4.4
229.04987	8.7
231.06610	7.3
235.10779	7.4
239.03923	4.5
243.06575	5.8
245.04515	6.5
245.09290	4.8
259.05948	3.6
263.10150	3.4
269.04575	4.2
277.07050	6.1
281.89417	3.6
287.06271	5.3
305.06467	3.7
305.11230	12.5
323.07327	100.0
323.11707	34.3
324.10553	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	322.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36772	1.2
55.05491	3.8
57.95071	1.2
62.06087	100.0
67.05506	20.8
69.07063	4.5
69.80844	3.1
69.81261	6.0
71.08611	1.8
77.30248	1.2
79.05493	14.2
81.07051	20.8
83.08593	2.3
91.05474	4.0
93.07039	15.1
95.04953	1.5
95.08599	19.9
98.20792	1.7
105.07019	5.5
107.08601	10.5
109.10141	7.9
119.08537	2.3
121.06529	1.4
121.10168	7.8
123.11735	1.9
131.08553	3.9
133.10132	2.6
135.11687	4.3
144.30780	1.4
145.10124	3.0
147.11702	2.6
147.91130	1.5
149.05930	1.5
149.13240	2.8
159.11725	2.9
163.03941	1.5
163.70067	1.3
165.16382	1.3
173.13280	2.6
177.16399	4.1
181.84915	1.2
186.04141	1.3
208.03658	2.0
224.08281	1.6
240.55516	1.3
243.21056	4.6
245.95387	1.4
261.22104	5.3
267.10165	2.7
271.08051	1.6
304.26346	2.2
305.24805	2.5
308.06799	1.5
322.27448	11.8
323.09140	28.1
334.50375	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	6.9
62.05788	6.3
62.06088	100.0
67.05509	20.0
69.07058	8.9
77.09864	2.8
77.67896	3.2
79.05489	12.5
81.07056	21.1
83.08575	4.4
87.89101	4.2
91.05470	4.5
93.07044	13.6
95.08635	18.4
100.35137	3.7
107.08582	13.6
109.10120	6.2
121.10131	4.7
126.31777	3.4
126.98999	3.0
145.10150	4.0
147.11673	3.4
148.86481	3.3
149.13187	3.2
163.60910	3.0
165.95743	3.1
230.24048	4.0
261.22043	5.1
322.27356	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	322.274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.2
56.96566	1.8
57.07071	1.6
60.04525	2.0
61.02917	1.5
61.90091	1.0
62.06091	100.0
67.05508	20.1
69.07055	4.2
71.26434	1.3
71.58755	1.8
79.05497	12.6
81.07056	20.7
83.08595	3.3
91.05477	6.8
93.07049	16.1
95.04938	1.9
95.08041	1.8
95.08607	17.2
105.07018	3.9
107.08584	11.7
109.10150	6.5
117.07031	1.4
119.08566	3.8
121.10146	8.6
123.11785	1.5
131.08566	5.6
133.10121	3.5
135.11682	4.9
145.10091	3.7
145.20187	1.3
149.13242	2.8
149.61520	1.2
149.62740	1.2
159.11673	1.8
161.13234	1.5
163.11230	1.4
163.14838	3.1
165.16460	1.3
175.14941	1.2
177.16319	2.6
201.16357	1.4
224.16432	1.6
229.07448	1.8
233.22289	1.1
243.21114	3.8
247.08539	1.9
261.22202	4.4
269.10626	2.3
304.26358	1.8
322.27438	12.0
334.64941	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0396
Annotation	Digallate
Peak:m/z	Relative Intensity
51.02365	1.2
51.45942	0.3
64.60836	0.3
69.03417	0.5
70.63887	1.3
75.04105	0.3
77.40133	0.4
79.01853	8.7
81.29128	0.4
97.02895	2.2
107.01308	2.6
116.61052	0.4
123.04430	0.4
125.02338	4.8
139.03902	0.8
143.03397	11.8
146.05978	0.4
153.01828	100.0
153.02834	4.2
154.02200	1.7
155.03410	0.4
181.04913	0.4
201.10228	0.3
323.12561	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.1
55.01864	11.0
55.05508	15.2
57.03429	12.1
67.05498	15.6
69.03426	16.4
69.07060	22.5
71.04998	6.2
71.57920	5.0
71.58337	10.0
76.02226	14.9
79.05492	38.9
81.03426	7.8
81.07061	59.0
82.07388	10.7
83.04997	6.9
84.04509	7.5
85.02907	13.9
85.06527	6.8
86.10261	4.6
91.05478	25.1
93.07048	30.3
94.07362	7.3
95.01327	12.5
95.04954	20.2
95.08613	16.6
96.08950	8.0
97.02864	8.3
97.06546	25.0
100.07571	5.6
105.07001	11.4
107.04948	18.8
107.08577	12.5
108.09003	5.8
109.02913	7.5
109.06514	27.2
109.10137	11.9
112.40501	5.9
113.02306	8.5
117.07014	10.9
119.04945	8.1
119.08582	21.1
121.06476	11.4
121.10161	7.8
122.10456	9.4
122.14956	5.2
123.04493	6.2
123.08044	8.5
123.11659	6.4
124.11993	8.1
126.63668	5.6
129.07008	5.9
129.41373	4.9
133.10155	9.2
134.10503	7.2
135.08028	8.3
137.05960	15.1
139.03897	14.3
141.01790	11.6
142.20128	5.6
147.04413	23.3
147.08032	12.9
149.05995	8.6
151.07587	5.9
151.11189	5.6
155.07018	7.0
157.75758	5.2
158.02699	9.2
161.05995	8.1
163.07535	16.5
165.09094	28.1
167.06943	8.6
173.05885	7.3
175.07616	9.5
177.05524	8.1
181.08600	7.0
182.33211	5.3
189.08952	6.5
191.07068	35.3
193.06697	6.0
193.08583	33.5
197.04414	7.0
199.09642	15.2
200.75966	5.6
209.08067	45.2
211.09644	21.9
215.07065	12.3
217.08623	6.9
227.09116	13.8
229.08669	6.8
255.08665	100.0
257.08096	20.7
259.09598	7.2
275.09158	45.8
287.09097	15.3
293.10199	5.9
305.10287	7.0
322.20395	6.5
322.24402	10.2
323.11401	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	321.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.1
57.07076	25.6
66.21804	1.0
67.05499	1.9
67.48578	1.1
69.07049	5.0
70.98864	1.6
70.99197	2.7
71.08630	40.2
72.08949	1.7
73.06545	3.9
78.09888	1.0
79.05528	1.2
81.07071	1.2
83.08611	2.8
85.10178	23.8
87.04478	2.1
89.06030	100.0
90.00158	1.1
90.06382	1.5
93.07038	1.8
95.04949	1.7
95.08607	2.0
98.98470	6.2
107.07085	8.7
109.10144	1.7
127.14828	2.9
130.08676	1.4
133.08604	27.3
134.08937	1.1
150.64981	1.4
151.09650	4.3
159.47215	1.2
171.17482	1.5
177.11261	4.6
195.12254	12.0
247.30699	1.2
252.19054	1.2
284.12375	1.2
321.26486	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1286
Annotation	dehydrohistidyltryptophyldiketopiperazine
Peak:m/z	Relative Intensity
53.03921	1.8
55.01853	2.2
57.03424	4.5
58.83843	1.3
61.02925	3.7
61.32994	1.6
67.05492	1.8
69.03434	14.3
69.07050	2.7
70.06571	2.6
71.04964	1.6
71.57986	2.9
73.02912	5.0
73.69678	1.8
76.85101	1.4
77.77644	1.4
79.05474	2.1
81.03402	5.7
84.04496	2.8
84.08123	1.7
85.02916	17.4
87.04471	2.0
91.05505	2.9
97.02895	8.4
98.97577	1.5
99.04492	2.3
107.04922	3.1
109.02871	2.4
111.04472	3.2
115.05438	4.4
116.98606	1.8
117.05821	1.7
123.04405	2.8
127.03922	3.9
130.06499	4.1
132.08115	10.0
135.04433	1.8
137.05933	2.6
139.03914	17.0
140.04625	2.9
142.05507	2.2
142.06532	29.7
143.07356	8.9
144.08072	18.8
146.06001	3.1
151.03885	3.2
155.03381	14.5
156.03700	2.0
158.06033	5.1
160.07585	100.0
160.09660	3.6
163.03899	4.6
177.05492	1.9
181.04997	3.5
195.41402	1.6
204.03813	1.8
205.04979	2.6
237.02725	1.7
259.06079	2.7
261.07776	1.8
269.04407	3.6
322.12823	94.8
323.07169	2.1
323.13123	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	321.2425
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
55.05510	9.7
57.07053	2.4
59.05626	1.3
67.05495	4.8
69.07079	6.7
70.80150	3.0
71.08617	1.2
79.05487	3.5
80.97843	1.2
81.06660	1.2
81.07069	9.4
82.81770	1.1
83.08630	2.2
85.06573	2.1
91.05449	2.2
93.07027	5.6
95.04995	1.7
95.08603	12.9
97.06513	1.7
105.07027	4.1
107.08597	4.0
109.06519	17.3
109.10158	4.1
111.04421	1.7
111.08056	2.3
113.00067	1.5
119.08575	3.5
121.10139	5.7
122.07261	1.7
123.08066	63.2
131.08533	1.5
133.10185	1.5
135.08022	4.5
135.11707	1.3
137.09608	3.5
139.11157	1.9
147.11745	1.8
149.09532	2.2
152.79675	1.4
153.01819	3.4
159.11621	1.4
179.14305	57.1
180.14714	1.5
182.45493	1.3
187.14911	1.6
193.59445	1.6
246.25064	1.2
265.17938	18.4
275.05505	1.7
290.00537	1.9
303.23184	5.4
321.24222	100.0
322.24680	2.6
326.43765	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2422
Annotation	11,12-EET
Peak:m/z	Relative Intensity
53.16071	5.2
55.01886	9.6
55.05517	26.1
55.65510	5.0
56.96555	10.9
57.03442	11.7
57.07051	10.9
65.03940	9.4
67.05503	52.8
69.03427	14.3
69.06722	7.8
69.07069	74.5
69.60474	13.5
69.60876	37.0
71.04999	8.8
76.37894	5.0
79.05494	16.1
81.07056	86.1
83.04948	5.9
83.08626	14.9
85.06528	6.7
91.05501	30.3
93.07040	44.0
95.04956	15.0
95.08604	60.5
97.02885	10.5
97.06522	7.6
97.10196	12.4
98.06907	6.0
98.21474	10.5
98.97600	9.0
105.07049	40.9
107.08594	50.0
109.02892	7.1
109.06518	12.2
109.10155	100.0
111.11710	13.6
113.09625	10.7
116.98632	8.0
117.07069	6.9
119.08585	33.2
121.06525	9.4
121.10180	29.7
123.11687	26.7
127.03910	8.0
129.07019	5.8
131.08615	11.3
132.95872	17.3
133.06575	8.0
133.10120	17.8
134.99683	8.0
135.08020	7.2
135.11716	18.4
137.09653	25.6
137.13245	9.2
144.95868	10.2
145.10138	14.0
147.08040	8.3
147.11745	12.4
149.02332	10.4
149.09631	11.5
149.13263	11.7
150.96919	14.4
153.01811	11.6
153.12793	11.2
155.10704	7.3
158.02734	8.0
159.11664	8.7
161.09628	11.1
161.13345	6.6
162.96994	5.5
163.11163	7.6
163.14771	5.8
165.09093	51.9
173.13226	10.9
174.96939	26.3
175.11195	7.8
192.98067	6.7
197.13367	6.9
201.16365	8.3
203.18083	6.1
217.08621	5.2
246.06752	5.4
257.16217	5.2
257.22665	6.8
261.09109	9.7
269.25714	5.4
275.05463	6.7
285.22089	7.7
289.08670	13.8
300.06256	13.5
303.23273	17.7
313.59390	6.1
315.08667	9.7
321.07315	24.6
321.10876	11.4
321.16733	5.7
321.24115	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	321.2423
Annotation	11,12-EET
Peak:m/z	Relative Intensity
53.03941	2.9
55.05516	20.3
56.96568	2.3
57.07061	6.6
59.04987	3.8
65.03936	3.0
67.05507	41.0
69.03429	11.3
69.07067	53.7
71.04978	8.3
71.08602	2.8
71.20002	4.7
76.16110	2.6
79.05504	18.2
81.07059	54.2
83.04992	3.4
83.08620	13.6
85.06535	5.6
91.04996	2.8
91.05474	15.7
93.07044	33.7
95.04968	11.4
95.08037	4.3
95.08606	42.5
97.02894	4.6
97.06528	7.1
97.10168	5.7
101.83229	2.5
105.07037	30.4
107.04971	3.9
107.08598	41.9
109.06532	10.4
109.10155	100.0
111.04422	3.5
111.08071	4.0
111.11714	7.0
113.09653	10.6
117.07047	5.6
119.08566	19.9
121.06493	6.1
121.10146	28.8
123.08090	4.2
123.11722	20.9
123.48420	2.4
125.06018	3.3
129.07126	3.3
131.08563	14.2
132.95854	2.5
133.10162	15.4
135.08086	13.2
135.11671	12.1
137.09610	21.2
137.13243	5.6
139.07549	2.9
139.11200	4.9
141.06995	3.6
145.10141	10.9
147.08015	5.6
147.11678	12.9
149.02379	4.9
149.09621	10.6
149.13298	4.3
151.11148	5.8
153.01880	5.1
153.09084	3.9
153.12756	7.9
155.10689	8.1
157.10165	3.6
159.08022	6.4
159.11697	10.0
161.09650	6.9
161.13237	5.8
163.11151	3.6
165.09120	31.5
165.12810	5.0
167.10626	4.4
173.09634	4.6
173.13261	6.6
175.11264	5.2
175.14818	3.4
177.09094	4.3
179.10709	5.3
183.10133	3.9
187.14876	3.8
191.10683	6.2
193.15863	4.7
201.12787	3.4
201.16492	3.3
205.15927	3.0
233.15421	3.3
235.07611	3.3
245.19176	2.7
257.22653	4.3
261.09137	5.8
275.09213	4.8
275.23846	3.8
285.22189	6.8
289.08643	7.8
290.09174	3.8
303.23163	12.1
306.09039	4.7
321.11154	10.4
321.24109	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	321.2423
Annotation	Vittadinal
Peak:m/z	Relative Intensity
50.93129	2.0
53.03933	4.6
55.01861	4.6
55.05508	51.7
57.03417	3.4
57.07064	6.6
59.04987	3.1
67.05502	55.4
68.99773	2.6
69.03425	9.8
69.07066	67.5
70.51888	2.0
71.04982	8.8
71.13874	4.0
79.05495	22.9
81.03403	3.5
81.07054	100.0
83.04986	11.6
83.08615	32.7
85.06526	7.4
91.05481	20.0
93.07039	44.5
94.67719	1.8
95.04960	20.6
95.08605	58.8
97.06554	10.2
97.10155	3.5
99.08073	4.4
105.07036	20.8
107.08595	37.4
109.06503	19.7
109.10148	68.1
111.07372	2.3
111.08077	28.0
111.11706	5.5
117.06976	5.8
119.08591	21.1
121.06500	6.5
121.10129	28.7
123.04403	2.7
123.08055	10.0
123.11707	23.5
125.05967	6.3
125.09611	5.5
127.07532	2.3
127.11176	2.3
129.06995	3.4
131.08565	9.5
133.10136	22.4
135.08073	7.3
135.11684	12.3
137.09622	26.0
137.13248	7.1
139.11206	13.2
141.12758	1.9
143.08572	5.6
145.10106	11.2
147.08107	2.7
147.11676	13.8
149.09624	6.3
149.13245	6.4
151.11186	22.3
153.12708	5.3
155.07072	2.5
157.10088	6.7
159.11694	10.5
161.09610	3.1
161.13251	6.6
163.11151	4.8
163.14798	3.5
165.09100	7.0
165.12698	4.6
167.10652	3.9
167.27368	2.1
169.12228	3.2
171.11700	3.5
173.13257	7.5
175.11122	3.9
175.14824	5.5
177.12819	3.1
177.16325	2.5
179.10643	8.7
179.14395	2.4
181.12202	2.6
183.11586	2.1
183.45950	1.9
185.13177	3.4
187.14862	5.8
189.12788	6.1
191.10646	3.7
191.14331	4.1
193.12225	9.1
197.13313	2.4
199.14781	2.6
201.16348	2.6
203.14417	3.1
205.15887	3.2
211.14861	3.2
217.15950	2.9
219.17473	2.8
221.15359	6.2
229.15875	4.4
229.34761	2.2
235.16978	7.9
247.16881	4.5
261.09030	3.1
275.19977	6.2
285.11676	2.4
285.21991	5.8
289.08798	4.8
291.23190	14.6
303.19653	4.8
303.23157	82.8
304.23511	2.8
321.24231	88.1
322.24634	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	321.2424
Annotation	11,12-EpETrE
Peak:m/z	Relative Intensity
51.07953	2.9
51.31086	2.6
53.03935	5.9
55.01870	7.0
55.05509	26.3
57.03432	9.7
57.07057	8.1
59.04995	3.4
59.85315	2.8
65.03934	7.0
67.05506	51.1
69.03436	25.0
69.06727	4.0
69.07069	56.1
69.98568	3.0
70.00471	18.0
71.04998	15.8
78.24830	2.8
79.05496	42.8
81.03413	12.5
81.07055	100.0
81.68296	2.8
83.04980	17.1
83.08618	14.5
85.02892	4.3
85.06543	4.8
91.05482	38.9
93.07040	81.1
95.01336	5.5
95.04970	54.5
95.08613	71.4
97.02896	7.6
97.06537	30.9
97.10176	3.6
99.04474	5.7
99.08073	4.7
103.05453	4.4
105.07031	51.3
107.04935	4.5
107.08595	48.1
109.06506	26.9
109.10149	68.0
111.04427	6.8
111.08089	18.4
111.11740	4.1
115.05469	3.0
117.07012	12.5
119.04917	4.0
119.08595	49.0
121.06537	8.9
121.10146	69.1
121.83310	2.8
121.93388	3.0
123.04409	4.9
123.08038	10.1
123.11708	34.4
125.05991	9.5
125.09635	8.7
127.07628	3.6
127.11226	3.3
128.06235	4.2
129.07005	7.2
131.08580	21.0
133.06488	3.6
133.10115	30.2
135.08089	22.1
135.11673	18.3
137.05949	4.9
137.09598	27.5
137.13223	6.1
139.03888	8.9
139.11183	25.8
141.06937	4.2
141.93605	3.1
143.08521	4.6
144.05722	4.9
145.06479	3.5
145.10118	19.8
147.08095	4.3
147.11687	27.0
149.02318	7.9
149.09657	8.9
149.13252	9.5
151.11179	13.9
153.01804	16.7
153.12735	9.4
155.07065	4.1
155.08466	4.7
155.10651	5.4
157.10139	7.6
159.08022	3.5
159.11661	12.8
161.09645	5.4
161.13335	6.3
163.11195	10.4
164.07011	3.6
165.09106	11.2
165.12717	9.1
167.06944	4.0
167.10684	12.7
169.06447	4.6
171.11673	3.4
173.13271	10.0
175.11211	7.4
175.14815	6.9
177.12753	10.3
179.10664	10.2
185.06055	3.0
185.13248	3.2
187.07585	7.7
187.14757	4.6
189.16409	6.1
193.08643	10.8
195.02856	4.2
197.04520	5.6
197.13310	3.8
199.09601	5.0
199.14821	9.8
205.15987	6.5
207.17491	3.1
211.09717	4.4
217.08504	4.2
217.15990	7.4
219.10194	4.2
229.05052	6.9
229.08572	4.6
229.15787	5.1
235.16953	7.3
255.08714	24.4
257.08148	3.4
257.22778	4.1
261.09128	5.1
275.05490	10.1
275.09177	15.5
285.22205	10.3
303.13339	6.1
303.23160	27.0
321.10355	7.2
321.20856	7.0
321.24283	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.206
Annotation	Monacolin J
Peak:m/z	Relative Intensity
51.42469	4.2
53.03942	6.1
55.01855	8.8
55.05511	67.7
56.03025	3.9
57.03433	7.4
57.07056	13.0
64.36720	3.9
67.05500	57.0
69.03423	27.1
69.07068	58.1
69.67582	24.7
71.04977	17.6
79.05505	31.0
81.07053	100.0
83.04980	67.9
83.08614	15.0
85.06534	9.9
86.88148	4.6
91.05474	41.5
93.07049	88.6
95.04957	29.2
95.08603	100.0
97.06513	18.3
97.10147	8.8
98.21478	8.5
98.97542	4.3
99.04478	6.1
99.08077	11.4
101.06020	20.0
105.07030	97.3
107.04965	6.0
107.08591	86.8
109.00691	3.6
109.06497	27.4
109.10165	61.1
111.08082	29.3
117.06985	12.4
119.08579	81.3
121.06486	9.4
121.10144	86.4
123.08096	26.4
123.11710	41.2
125.05988	17.0
125.09623	13.4
129.05476	22.8
129.07013	6.6
131.08542	29.7
133.07610	4.3
133.10132	53.2
135.08028	13.9
135.11682	38.3
137.09618	33.5
137.13217	6.9
139.11183	15.0
143.07040	83.7
143.08549	10.2
145.10130	31.1
147.08011	16.5
147.11673	69.8
149.09625	11.8
149.13243	29.8
151.11208	9.2
153.09117	4.2
153.12793	8.0
155.08646	4.5
157.08643	6.5
157.10129	12.5
159.07976	5.1
159.11693	28.7
161.09601	22.6
161.13251	73.2
163.11185	9.9
165.09108	16.3
165.12758	16.6
167.10638	6.7
169.08598	18.2
169.09969	5.2
170.10896	9.6
171.11678	21.1
172.05997	4.8
173.05995	13.5
173.13225	13.0
175.11143	6.9
175.14827	34.6
183.10182	33.9
183.11656	7.1
185.13252	45.3
186.14024	12.1
187.14742	13.0
189.12733	12.5
189.16374	7.1
199.14731	7.3
201.16281	5.0
203.14320	57.2
204.15047	16.2
206.15379	10.0
207.15770	21.9
213.16351	6.0
215.17958	7.2
223.13301	10.8
223.18828	10.3
235.16978	4.1
239.18050	7.8
247.13527	5.2
255.14079	4.5
257.18985	7.7
258.18530	4.6
259.17099	4.8
261.09167	7.5
275.20084	7.3
285.18506	16.9
285.21973	7.4
303.19623	65.1
303.23016	8.3
321.11313	12.1
321.20758	48.9
321.24237	12.8
337.69339	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	321.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46129	0.8
55.05502	1.4
57.07057	1.0
67.05488	2.7
69.07067	1.8
70.03197	4.4
72.61359	0.7
75.03068	0.9
79.05466	1.6
81.07060	4.6
91.05474	1.6
93.07030	2.3
95.04964	1.8
95.08613	5.1
105.07014	1.8
107.08605	2.1
109.06510	1.0
109.10146	2.4
119.08569	1.3
121.10151	2.6
135.07990	0.8
137.09586	1.5
179.42752	0.8
187.62485	0.8
229.43086	1.0
261.05948	1.0
321.16699	100.0
322.16992	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	321.2059
Annotation	Monacolin J
Peak:m/z	Relative Intensity
53.98715	3.8
55.01883	7.1
55.05513	60.7
56.96552	5.5
57.03423	9.3
57.07062	16.4
59.05002	5.9
62.14416	4.0
67.05504	54.5
69.03412	18.0
69.07068	60.5
70.20547	4.5
71.04987	14.4
71.32115	12.3
79.05486	39.9
81.03407	10.0
81.07053	90.9
83.04980	71.0
83.08608	15.8
83.79924	4.7
83.82442	3.9
85.06545	12.1
91.05478	38.5
93.07039	80.7
95.04949	30.1
95.08599	100.0
97.02902	4.1
97.06512	15.1
97.10165	9.4
99.08078	11.7
101.05997	20.3
103.05470	4.9
105.07024	75.1
107.04966	8.3
107.08595	87.5
109.06512	22.7
109.10149	76.8
111.08065	32.7
111.11745	6.8
117.06991	9.9
119.08578	97.4
121.06465	6.5
121.10144	82.1
123.08064	20.3
123.11684	40.6
125.05967	13.7
125.09615	12.1
129.05473	13.5
129.06978	5.9
131.08549	22.9
133.10112	48.4
135.08017	14.4
135.11679	31.3
137.09618	30.8
137.13255	6.7
139.11168	15.9
141.09114	5.3
142.07822	5.1
143.07018	96.7
143.08485	13.9
145.10104	38.3
147.08023	14.5
147.11671	80.0
148.08745	4.2
148.11958	4.5
149.09584	10.4
149.13211	31.4
151.11168	13.3
153.09096	4.7
153.12633	6.1
155.08516	6.7
155.10748	6.4
156.09293	7.1
157.10114	18.1
159.11693	28.6
161.09602	19.7
161.13254	76.1
163.11147	12.6
165.09096	11.4
165.12752	17.3
169.08597	12.6
169.10046	6.4
170.10921	4.5
171.11667	21.0
173.05898	10.4
173.13232	14.8
175.11276	11.0
175.14784	28.8
179.10663	5.8
181.12247	6.3
183.10194	34.3
183.11612	7.1
185.13251	54.9
186.13980	15.6
187.14835	10.5
189.12682	6.6
197.13309	6.7
199.14711	8.4
201.16206	4.7
203.14296	73.7
204.15123	12.5
205.15517	5.3
206.15511	11.2
207.15707	15.4
213.16377	6.4
214.18552	4.1
215.17957	9.2
223.13281	11.6
223.18889	5.3
239.18022	7.4
261.14746	5.5
275.20172	9.9
285.18542	10.3
303.19614	58.9
303.23285	10.4
306.08826	4.6
311.48975	4.6
321.11127	8.0
321.20773	47.6
321.24271	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	321.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	4.6
55.05513	3.8
61.02937	1.9
65.03923	2.9
67.05520	9.9
69.03433	12.4
69.07066	5.0
71.04985	7.0
71.12135	4.6
79.05477	11.3
81.03436	3.6
81.07065	17.6
83.04982	3.2
84.04474	2.2
85.02898	5.0
85.06544	2.4
91.05476	16.7
93.07044	20.5
95.04981	10.5
95.08612	11.6
97.02891	100.0
97.03522	4.8
97.06522	5.8
99.04453	10.0
103.05426	3.1
105.07027	20.6
107.04980	3.2
107.08602	22.0
109.06483	4.7
109.10150	6.3
111.04429	8.1
111.08109	2.7
115.03926	3.9
115.05454	3.2
117.06999	4.9
119.04950	2.9
119.08559	11.4
121.02855	3.5
121.06506	7.9
121.10145	5.9
123.04433	4.4
123.08056	4.5
123.11748	3.3
125.05923	4.3
127.03900	2.9
129.07004	5.2
131.08560	8.8
133.06461	9.8
133.10130	5.7
135.04413	1.8
135.08025	8.9
135.11687	6.6
137.05975	5.4
137.09619	3.3
139.03903	5.3
141.06973	3.8
143.06996	2.2
143.08528	4.6
145.06479	6.3
145.10118	7.6
147.08044	4.2
147.11697	5.4
149.02359	6.1
149.13220	4.8
151.03920	4.1
151.07515	8.2
153.01849	16.4
155.08522	2.4
156.80171	1.8
157.10118	3.0
158.02731	2.2
159.06689	1.8
159.08081	8.9
159.11652	4.5
161.06004	10.8
161.09633	4.9
161.13330	2.2
163.07520	3.1
163.11195	2.4
165.06923	2.2
167.03421	3.9
169.10072	2.7
171.08078	3.4
173.09613	4.3
175.07582	4.7
177.05377	2.1
177.09070	3.3
177.12827	2.2
183.11678	5.4
187.07555	6.0
187.11266	3.0
188.08276	2.8
189.09108	3.2
195.02936	4.3
197.09492	2.8
201.05293	2.2
201.09204	2.8
201.16400	2.1
203.07057	3.2
205.12244	3.5
211.11255	5.5
215.07117	3.0
215.10728	6.2
218.07288	2.3
219.10268	3.8
229.04955	2.9
229.08716	2.7
229.12271	6.1
233.11697	2.7
239.10721	5.9
243.10176	4.5
247.05963	3.7
257.11728	15.9
261.11383	5.1
261.14844	5.1
275.05597	7.7
275.09305	9.8
275.12753	8.6
279.12314	2.1
285.11227	7.0
289.08527	3.1
303.04822	3.1
303.08627	2.4
303.12344	6.8
321.07550	2.5
321.13300	6.5
321.16632	2.3
321.24283	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08271	1.1
55.05499	3.4
57.07081	1.9
61.73865	1.0
67.05489	4.5
69.03410	1.7
69.07076	2.1
71.58527	1.4
71.88103	1.0
79.05474	2.7
81.07052	8.3
83.04952	1.5
83.08597	1.3
85.02900	1.4
91.05487	2.8
93.07060	5.8
95.04964	3.2
95.08616	7.3
97.06528	1.7
105.07041	2.5
107.08591	3.7
109.06496	2.9
109.10172	5.9
115.29146	1.3
119.08555	3.7
121.10131	2.4
123.08056	5.1
123.11695	2.0
125.05974	1.9
129.76776	1.0
133.10098	2.7
135.94168	1.1
137.09641	1.7
145.10178	1.3
147.11737	1.7
149.13289	1.5
151.07541	7.6
159.11734	1.5
173.13277	1.2
189.12724	1.3
207.13809	5.7
321.16733	100.0
321.20114	3.3
322.16962	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17358	0.6
56.96562	1.8
57.03421	0.6
58.99846	0.9
61.02940	0.8
65.74592	0.5
69.03430	1.5
69.72947	2.8
69.73349	1.0
77.00913	1.1
82.06607	0.7
82.99869	1.1
83.05017	0.7
85.02901	3.0
86.99341	0.6
97.02903	1.4
98.97573	3.4
100.07656	0.7
101.00867	7.2
103.02454	2.4
109.93452	0.5
113.00890	2.4
115.02422	7.5
116.98637	1.8
117.04004	1.8
119.01921	23.9
120.02015	1.0
121.03456	1.1
127.02470	0.7
127.03865	0.8
128.98651	0.6
129.03989	1.4
131.00261	1.1
131.01901	13.8
131.02837	1.0
133.03467	23.3
134.03667	0.7
134.99591	0.8
135.05057	2.1
137.02948	3.7
139.03496	0.7
141.03970	0.9
143.01903	6.1
144.99936	0.6
145.03459	7.0
145.48013	0.5
147.01382	0.8
147.05014	4.0
149.02989	2.1
151.04538	4.5
155.01898	9.1
156.02701	2.0
157.03477	4.8
159.05034	10.6
159.06285	0.8
161.01068	0.5
161.01637	0.9
161.02954	9.8
161.04155	0.8
161.06653	1.0
162.03108	0.6
163.03354	0.6
163.04576	2.2
165.06119	0.8
168.05554	0.6
168.99866	1.3
171.01511	0.5
171.05032	8.8
173.01459	0.6
173.02954	11.1
173.04320	0.9
173.06650	1.5
175.04539	3.4
177.06078	7.2
181.03761	0.6
183.04967	3.4
185.02983	2.5
185.06635	1.7
187.00874	3.1
187.04520	1.3
189.02481	2.2
189.06050	6.5
191.04047	2.3
195.05574	0.6
195.07256	2.3
197.02954	2.6
199.04512	1.1
201.04442	1.0
201.06097	4.2
203.04012	3.6
203.07724	1.1
205.02049	1.4
211.04466	1.2
213.06108	1.7
215.00359	5.4
215.01904	0.5
219.01904	0.8
219.03839	0.9
219.07140	13.5
221.05060	17.3
222.05359	0.7
225.06044	0.8
229.02039	1.3
231.07135	13.2
232.07372	0.9
233.01541	0.7
233.05128	1.5
233.08832	2.6
237.02943	0.9
239.06279	0.8
240.07768	1.2
240.57671	0.7
243.07130	1.1
245.05074	12.8
246.05396	0.6
247.03006	8.2
248.03192	0.9
255.07133	3.3
259.06683	1.3
261.08212	13.4
261.10806	0.9
262.08435	1.0
263.06311	0.9
265.04141	1.7
273.08206	4.8
279.09259	16.6
279.12155	0.9
280.09476	1.2
302.10632	0.6
303.09436	0.7
321.11197	100.0
322.10776	5.0
339.11334	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	1.1
57.03445	0.4
59.09383	0.4
69.03417	0.4
70.39379	1.0
82.06602	0.7
82.99860	0.6
85.02928	0.7
97.02910	0.6
98.97581	0.5
100.07607	0.4
101.00871	2.0
102.59791	0.4
103.02462	1.7
109.02870	0.4
111.05584	0.7
113.00922	1.0
115.02432	2.5
116.98579	0.5
119.01925	7.9
120.02008	0.6
121.03504	1.0
127.02489	0.4
129.04015	0.9
131.00276	0.4
131.01897	4.6
133.01843	0.7
133.03470	13.2
134.03606	0.6
137.02988	1.4
141.06619	1.2
143.00999	0.4
143.01901	2.0
145.03458	3.9
147.01430	0.4
147.05028	3.4
149.01192	0.5
149.02994	1.3
151.04562	3.2
155.01886	3.9
156.02750	0.7
156.05220	0.5
157.03455	3.7
159.05045	4.5
159.06245	0.6
159.07657	0.7
160.09694	1.5
161.03008	3.2
163.04591	0.6
165.06099	0.5
167.01979	0.6
169.03519	0.5
171.05051	3.7
173.02933	4.2
173.04053	0.3
173.06969	0.4
175.04504	3.1
177.06094	2.6
183.05011	3.4
184.44916	0.4
184.48924	0.4
185.03017	1.2
185.06613	0.9
187.00911	0.7
187.04648	0.5
189.00766	0.5
189.02388	0.4
189.06168	1.3
191.04015	0.7
195.07126	2.0
197.02957	1.8
201.06184	1.5
203.04056	2.3
211.04639	0.9
213.06097	0.5
215.07642	0.5
219.03696	0.5
219.07129	9.0
219.09116	0.5
221.05083	7.7
225.06186	0.9
231.07132	9.5
232.07404	0.8
233.08675	2.2
235.06705	1.5
237.02811	0.5
240.07631	0.5
243.07204	0.6
245.05070	7.6
245.08931	0.5
247.01044	0.6
247.03247	0.5
253.07764	3.0
255.07150	3.0
259.06827	0.5
261.08130	1.8
263.06360	0.4
263.09750	0.4
273.08115	2.2
277.07965	0.5
279.03845	0.5
289.04156	0.4
303.05719	0.6
303.09344	0.7
321.11520	100.0
322.11566	2.7
322.15121	0.8
339.11386	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1121
Annotation	Betulinan A
Peak:m/z	Relative Intensity
53.82799	1.0
55.05510	1.4
55.95721	0.7
56.96564	2.5
67.05489	2.9
69.07066	3.2
69.27351	6.7
69.27763	2.4
69.38541	0.8
71.23473	0.8
72.73460	0.8
79.05478	1.4
81.07071	6.4
91.05461	1.1
93.07041	3.4
95.08606	5.9
97.10153	0.8
98.20708	1.6
98.97609	1.1
105.07000	1.6
107.08591	2.6
109.10143	4.3
116.98626	1.1
117.07050	0.9
119.08555	1.5
123.11695	1.5
134.99706	1.3
137.06056	1.1
137.13297	1.5
142.09105	0.9
159.11684	1.1
179.08562	2.9
189.07016	6.3
190.07761	4.6
191.08466	1.3
201.06993	2.0
202.07814	3.6
203.08650	2.0
205.06516	1.5
206.07339	1.0
207.08058	8.9
212.82776	0.8
215.08711	1.5
217.06415	1.8
218.07286	20.5
219.08081	7.4
220.08589	1.0
221.09587	0.8
229.06422	13.4
230.07228	3.0
231.08054	2.8
232.08836	1.2
233.09695	4.8
234.06731	1.8
235.07561	14.1
236.07921	0.9
243.08250	1.8
245.05925	4.7
246.06766	25.5
246.09261	1.4
247.07471	12.7
247.62764	0.9
248.08270	1.4
249.09140	3.5
250.09940	5.1
257.05963	8.5
258.06717	6.6
259.07745	4.2
260.08252	2.4
261.09116	42.1
262.06378	1.3
262.09735	4.3
263.07040	13.7
273.05505	3.5
273.09036	1.0
274.06247	20.7
275.07013	11.4
276.07541	0.9
277.08698	8.6
278.09384	16.8
279.10083	3.0
288.07938	2.3
289.08600	46.3
290.09305	15.3
291.06543	7.3
291.09845	1.8
293.11713	4.1
303.10101	1.8
305.08118	2.9
306.08896	28.5
321.11224	100.0
322.11612	6.7
322.42667	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	2.3
57.03427	1.0
63.25875	0.9
69.03403	1.0
69.61730	3.3
69.62155	3.1
82.06573	1.4
82.99864	0.8
85.02901	1.8
95.06117	1.0
97.01460	0.9
98.21478	1.7
98.97585	1.4
100.07647	1.2
101.00895	7.0
103.02482	2.5
105.00385	1.1
111.05590	0.9
113.00900	2.1
114.09219	0.8
115.02422	6.1
116.98711	1.0
117.04067	1.2
119.01920	34.1
120.01996	2.2
121.01665	2.1
121.03539	1.7
123.05552	0.9
129.04013	2.0
131.00276	0.9
131.01909	13.1
133.03471	31.8
134.03577	1.3
135.03249	2.1
135.05113	1.0
137.02966	6.9
141.06607	1.7
143.01874	5.6
144.99872	1.1
145.03448	10.0
145.04510	1.0
147.05034	5.5
149.02983	2.5
151.04520	5.2
155.01872	8.0
156.02704	2.3
157.03520	5.6
159.05032	9.4
159.06291	1.6
159.07642	1.3
160.05247	0.9
160.09760	2.0
161.02959	10.7
163.04568	2.4
165.06093	0.9
168.99896	1.3
169.03563	1.7
171.01411	1.2
171.05035	8.3
173.02937	12.7
175.04503	6.0
176.04958	1.2
177.06076	5.0
179.04190	1.0
183.05017	4.8
185.03041	3.7
185.06677	2.4
187.00856	5.7
189.02521	2.9
189.06059	4.4
191.04025	4.1
195.07283	3.5
197.03091	3.1
199.04425	1.0
201.02551	1.6
201.06204	3.2
203.04115	2.5
205.02101	1.3
213.06158	2.0
215.00391	5.2
217.05630	1.1
218.16408	0.8
219.01627	1.1
219.03593	1.8
219.07100	13.1
221.05061	13.7
223.05042	1.0
225.02832	1.1
225.06200	1.3
229.02078	2.2
231.07118	15.3
231.09131	1.1
232.07416	1.4
233.01549	1.2
233.05168	3.7
233.08824	2.7
235.06848	1.5
245.05089	11.4
247.03038	8.7
253.07759	4.2
255.07118	4.4
259.06873	1.6
261.08228	6.8
263.06189	1.5
265.04129	2.0
273.08167	4.0
279.09317	7.1
289.04214	0.9
303.09210	1.0
321.11377	100.0
322.11481	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	321.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27362	1.2
55.46864	1.2
56.96579	5.2
58.59528	1.4
58.78279	1.1
59.57407	1.2
66.81265	1.4
67.33527	1.2
68.09610	1.2
69.03436	1.7
71.57735	1.8
75.31467	1.3
75.63934	1.4
84.04548	1.4
85.02898	3.4
98.97621	5.2
101.00929	6.0
112.99141	1.7
113.00861	1.6
115.02471	3.9
116.98627	3.5
117.94364	1.3
119.01915	25.2
131.00159	2.0
131.01909	10.3
133.03476	21.7
134.99730	2.2
137.02966	6.8
141.06599	2.9
143.01936	5.0
145.03473	6.8
147.05081	4.6
149.01282	1.8
149.02960	1.7
151.04631	4.2
155.01979	5.5
157.03548	4.4
159.05127	6.0
159.07715	1.6
161.01292	3.0
161.02913	8.5
163.04628	1.8
168.99948	1.8
171.05147	5.9
173.01494	2.9
173.02933	11.4
175.04643	5.1
177.00830	1.4
177.06154	2.6
183.05214	2.2
185.02956	3.3
185.14157	1.3
185.51694	1.3
187.01001	6.5
189.02509	2.2
189.06163	3.8
191.04143	4.6
195.07066	1.5
197.03020	2.4
199.04581	1.5
201.02539	2.7
201.06142	2.3
203.04066	3.4
205.02087	2.7
207.01900	2.5
215.00461	6.5
217.55911	1.5
219.01845	1.7
219.03693	5.4
219.07059	9.3
221.05087	12.8
225.02855	2.5
231.07082	11.3
233.05351	3.1
233.08914	2.3
245.05083	8.3
247.03065	10.9
253.07840	5.0
255.07259	2.8
261.08295	6.6
265.04120	2.5
273.08115	3.2
279.03973	2.7
279.09525	5.8
289.04242	2.4
303.53079	1.5
321.11530	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83274	2.7
56.05018	2.7
56.96561	38.7
58.99868	3.7
70.51901	10.3
72.04524	3.1
74.67494	2.4
77.00905	8.1
80.81581	3.1
82.99872	3.4
84.08123	3.3
84.96047	3.3
85.01379	3.4
85.02869	2.9
98.21389	3.5
101.00874	28.2
103.02433	17.3
105.02185	4.6
109.39855	2.9
113.00880	3.3
113.84624	2.9
115.02445	11.8
117.04002	6.5
119.00146	3.1
119.01918	100.0
119.03708	3.6
120.01979	5.1
121.01676	6.6
121.03469	9.8
123.03258	3.9
127.02421	4.0
128.00204	4.3
128.98613	5.1
129.03929	3.4
131.01892	48.6
133.03470	29.1
134.99788	3.5
135.05054	12.6
137.02963	26.0
137.04694	4.4
143.01920	18.2
144.98076	6.4
145.03485	48.5
146.99698	6.7
147.01379	19.4
147.03209	6.6
147.05040	6.8
149.01227	4.4
149.02953	11.9
151.04523	4.4
153.01811	6.5
155.01891	17.9
157.03452	32.2
159.05064	12.2
161.02951	68.8
162.03134	2.9
162.99101	16.8
163.02740	5.5
163.04517	15.6
165.01007	2.7
165.02426	6.4
165.04288	3.8
167.02034	7.1
168.99873	3.9
169.03432	3.3
171.01418	6.1
171.05042	5.6
173.02968	58.0
174.03134	4.3
175.03056	4.6
175.04501	25.8
177.02486	5.4
177.09802	7.4
183.01683	3.2
185.02954	26.6
186.99265	2.7
187.00829	13.8
187.04543	8.2
189.02493	33.5
189.06125	8.7
191.02324	5.3
191.04001	18.8
199.04630	3.2
201.00737	5.5
201.02426	35.7
201.05763	3.5
203.02373	4.3
203.04002	21.0
205.00189	10.4
205.01968	7.0
205.05542	6.1
207.03494	27.5
208.99788	4.6
213.02464	7.0
215.00331	12.8
215.03893	13.7
217.05621	7.7
219.03525	91.6
220.03661	5.1
221.05124	14.5
223.01233	31.8
231.03471	16.9
233.05130	22.8
235.06642	26.3
236.97914	2.9
237.04607	6.0
239.06111	3.2
241.02347	5.8
243.03487	6.1
245.02986	6.0
245.05081	12.5
247.03073	22.7
249.04475	9.4
253.07687	75.6
253.10326	4.9
261.04700	34.0
261.07492	4.1
265.04089	4.8
271.08780	6.6
273.04480	3.6
275.05554	4.6
277.07693	22.9
279.05539	13.1
279.09344	4.9
295.08765	3.7
303.00314	6.1
303.05643	4.5
321.06784	14.0
321.11246	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	321.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22199	1.5
56.96297	1.6
56.96563	22.7
58.99872	1.5
66.97261	1.7
69.03424	2.8
70.49878	5.2
74.97616	1.5
77.00914	2.2
81.03442	1.8
81.04539	3.1
82.99821	1.8
84.08133	5.7
84.96040	2.5
85.02892	4.2
95.06062	2.6
97.02898	2.8
98.20950	1.8
98.97581	19.3
101.00858	18.1
110.97601	4.3
111.05574	11.1
112.99171	1.4
116.98608	18.1
119.01916	100.0
120.01962	1.9
123.05542	6.8
124.87638	1.5
124.99081	1.7
127.02403	4.6
128.00139	1.7
128.98604	4.5
131.01843	7.4
131.27220	1.4
133.03459	2.4
134.99658	13.5
137.02937	13.5
139.02415	1.7
139.06664	1.6
141.06589	14.9
142.03468	3.3
143.00151	3.9
143.01883	21.6
145.03458	42.6
146.99652	6.1
149.01196	2.3
149.03021	2.5
153.00737	2.4
155.01930	4.1
157.03447	4.1
158.99608	1.8
159.05035	1.9
159.07640	9.5
161.01318	6.0
161.02951	69.5
162.03107	3.9
163.04579	8.8
170.02930	2.4
171.01366	18.8
171.05194	1.8
173.02963	16.1
174.97610	1.9
175.04488	3.5
176.02568	1.7
177.00792	4.9
177.15614	1.4
179.02312	2.8
179.03911	2.8
181.01732	1.7
184.04526	3.1
185.02898	4.5
189.00871	3.6
189.02449	80.6
190.02538	3.6
191.02531	2.1
191.04028	15.9
195.01585	1.5
197.02927	4.2
198.02441	2.3
201.00790	3.4
201.02446	20.3
202.99640	1.8
203.04044	4.3
207.03331	3.1
208.01466	2.2
212.04117	3.5
213.02466	4.8
214.05663	3.4
214.96397	2.2
215.04024	3.7
219.01837	4.4
219.03606	17.8
220.02090	1.9
220.98183	1.9
221.01697	3.6
221.05078	16.0
225.49480	1.8
231.03438	4.7
233.05086	27.5
234.99826	2.7
237.02853	3.7
238.98952	1.8
243.03691	2.7
243.50119	1.6
245.05086	7.4
251.06282	2.9
251.29480	1.7
256.97565	5.0
259.00146	1.6
261.04745	22.2
263.02750	1.9
263.06009	1.9
265.00977	2.0
279.05853	9.8
286.04044	4.5
291.96725	1.8
298.98611	5.6
303.05624	4.3
316.00183	1.7
321.06540	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	321.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01876	1.6
55.80077	1.1
56.96562	18.6
57.03416	2.0
59.04969	1.8
61.02939	2.4
64.59030	1.3
68.17148	1.2
69.03417	5.2
69.07059	1.4
70.06587	3.6
70.81162	2.1
70.81554	4.1
73.02924	2.0
75.46515	1.2
77.00917	2.3
81.03418	2.3
82.99862	1.4
83.04989	1.2
83.06113	1.3
83.97662	1.1
84.04494	2.5
84.96014	1.9
85.02903	9.7
87.04498	1.6
91.02460	2.4
92.20455	1.1
97.02895	6.6
98.06072	1.4
98.85432	1.1
98.97594	10.7
98.98162	1.7
101.00888	12.9
103.02439	3.3
109.02830	2.4
109.03510	2.1
110.06066	1.8
113.00874	2.1
115.02432	8.3
116.07080	4.9
116.98626	10.6
117.55488	1.2
119.01924	100.0
120.01969	2.3
127.03933	2.7
128.98622	3.3
129.03899	1.1
131.00244	2.1
131.01918	23.9
133.01859	1.6
133.02559	1.7
133.03482	29.8
134.99651	7.1
135.05049	6.1
136.07683	1.2
137.02965	40.0
138.03003	1.5
140.02289	1.3
140.69019	1.2
142.03508	3.9
142.39249	1.2
143.01900	5.9
144.99817	3.4
145.03452	11.2
145.04607	1.3
146.28065	1.1
146.99622	3.3
147.01413	2.0
147.03169	2.3
147.05006	3.7
149.01213	2.3
149.02975	4.2
151.04568	6.6
151.26503	1.1
153.00739	2.1
154.03493	1.5
155.01848	6.7
156.02565	2.0
157.03424	6.9
158.01277	1.6
158.53833	1.3
158.99638	2.2
159.04990	8.8
159.07739	1.2
161.01299	2.8
161.02951	17.8
163.02805	2.6
163.04500	5.2
164.07059	1.3
165.00786	2.0
167.54407	2.5
168.99803	9.4
171.01393	3.2
171.05019	9.1
173.02965	12.7
174.03575	1.4
175.04492	6.2
177.00720	6.3
177.02484	4.0
177.04320	3.5
177.06026	6.0
179.02249	1.4
185.02878	1.8
185.06551	1.6
186.99374	1.2
187.00879	31.8
187.04495	1.9
189.00751	2.9
189.02415	16.6
189.06065	11.3
191.02342	2.1
191.04022	12.1
192.04456	1.4
195.01633	1.4
195.05305	2.5
196.99352	8.3
199.00812	1.6
201.02464	4.7
201.06108	4.4
203.03992	1.9
205.00180	2.2
205.01927	13.1
207.01759	2.1
207.03506	1.8
210.02409	2.1
212.07547	1.5
213.06180	3.3
215.00375	39.8
215.01968	1.5
215.03947	1.6
216.00565	2.2
217.01906	2.4
219.01741	5.6
219.03613	7.1
219.07169	3.4
221.03226	2.2
221.05060	9.3
229.01964	12.0
231.03474	3.1
231.07054	2.1
233.01471	5.8
233.05037	14.0
235.02774	1.5
237.02808	12.0
238.01967	2.5
240.05661	2.1
243.07253	1.6
245.05000	1.8
247.03001	65.5
248.03151	3.3
249.04555	3.2
253.07620	2.1
261.04547	2.3
261.08301	11.7
265.04056	16.6
267.05838	1.2
269.03217	1.4
270.04623	5.9
273.08426	1.2
279.05905	1.7
279.09454	15.9
288.05170	1.4
289.04080	5.7
302.10818	1.9
321.06500	5.8
321.11172	15.4
339.09601	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96380	3.5
56.05022	5.1
56.96563	69.6
58.99893	3.7
69.89220	22.3
70.98108	8.3
72.04475	5.2
74.97604	4.7
76.05114	5.5
77.00914	7.9
82.99822	4.3
83.82721	3.5
85.01438	3.5
85.02880	4.3
88.41002	3.5
91.27793	3.3
94.42940	3.6
98.97573	5.6
101.00272	4.0
101.00837	22.4
103.02438	30.9
105.00417	5.6
105.02186	7.2
110.97571	7.0
113.00887	4.7
115.02441	7.9
116.00180	3.8
116.98655	4.3
117.03978	12.9
119.00143	6.7
119.01923	100.0
121.03476	23.5
123.03243	5.4
126.97198	4.0
127.02367	5.2
128.98610	9.2
131.00227	4.0
131.01915	41.1
133.01657	11.1
133.03453	34.3
135.05040	15.0
137.02954	22.9
139.02487	4.6
143.00136	4.0
143.01942	17.2
144.98055	9.6
145.03485	63.4
146.01222	5.0
146.99637	8.3
147.01352	27.1
147.03148	5.2
147.05020	8.1
149.01097	5.8
149.02945	12.6
151.04503	5.2
153.01796	7.7
155.01909	19.8
157.03473	45.6
159.05048	18.3
161.01399	5.6
161.02962	67.4
162.99141	25.9
163.02708	6.0
163.04564	25.7
165.02448	12.3
165.04161	4.5
169.03477	5.4
171.01373	8.0
171.05087	8.0
173.01668	2.5
173.02953	73.9
175.03035	5.5
175.04495	32.5
177.02472	6.9
177.06078	4.6
177.09814	13.0
179.04013	6.7
181.00194	13.7
185.02919	34.1
186.99274	4.5
187.00867	9.0
187.04535	12.1
189.02472	34.0
189.06076	7.5
190.98627	4.4
191.02438	5.5
191.03915	23.6
199.01198	4.3
201.02434	31.9
201.06145	4.5
203.02347	5.0
203.04021	23.4
205.00217	23.9
205.05553	5.9
207.03493	40.7
208.99675	8.9
209.03299	11.5
210.28596	4.0
213.02435	8.9
215.00449	5.3
215.03917	21.9
217.01923	3.7
217.05592	7.8
219.01900	3.4
219.03510	69.6
221.05093	13.7
223.01219	71.8
229.01894	6.0
231.03526	22.3
231.07153	5.0
233.05113	31.9
235.06662	34.7
239.06180	4.4
241.02299	14.8
243.03505	10.0
245.02922	5.9
245.05051	14.7
247.03036	18.9
247.41238	4.4
249.04694	6.2
253.07664	67.6
261.04663	71.6
271.08609	8.3
273.04578	6.3
277.07727	29.1
279.05515	15.9
279.09293	4.2
295.08688	5.0
303.00293	12.6
303.05521	11.9
321.07153	17.7
321.11179	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	321.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39353	1.2
55.01856	0.9
56.96571	1.4
65.03944	5.5
65.38467	1.0
66.36312	0.9
67.01858	2.5
68.05010	1.1
68.99789	4.3
69.03427	3.0
69.86147	1.9
69.86552	3.4
70.06581	3.6
72.08152	1.3
72.77866	1.0
81.03426	2.0
84.08144	1.4
86.09717	1.7
93.03402	2.8
95.04948	1.1
97.02869	2.3
105.03381	1.2
107.04949	1.1
109.02877	4.3
111.00822	1.1
111.04446	11.4
114.05537	1.4
121.02857	14.5
123.04458	3.4
125.02412	1.6
127.03933	3.2
131.04924	2.0
139.03896	47.1
145.06482	4.2
147.04402	2.1
149.02342	61.4
150.03143	7.4
151.03903	4.8
153.01823	100.0
154.02249	2.5
155.03522	0.9
155.04919	3.0
161.05978	1.6
163.03909	3.3
167.03374	12.4
173.05936	5.4
175.03851	1.6
177.01828	2.0
177.05482	1.4
179.03470	1.9
183.04424	3.8
191.03410	3.0
193.04926	1.7
195.02881	20.3
201.05472	11.4
205.04967	2.7
219.02942	7.8
226.15219	1.1
229.04945	18.2
247.06027	31.9
254.66936	0.9
257.04504	5.0
261.03925	1.7
274.04749	1.2
275.05502	53.8
276.05798	1.2
303.04996	12.7
321.05988	4.6
322.12869	1.2
333.17221	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0606
Annotation	2,2',3-Trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl
Peak:m/z	Relative Intensity
52.51596	2.0
56.96570	2.7
65.03930	6.6
68.99786	5.5
69.03419	5.1
70.61736	9.4
77.96472	2.5
79.05496	2.7
79.73671	2.3
80.73304	2.0
81.03405	4.9
83.04984	2.5
85.02888	9.7
88.37477	2.3
91.05437	2.1
93.03378	2.6
94.06520	2.2
97.02886	6.6
105.38502	2.3
109.02829	4.4
111.04451	12.7
114.05482	2.9
121.02840	12.9
122.06052	2.7
123.04387	4.9
127.03893	8.2
137.02296	2.6
137.05945	2.6
138.05486	5.7
139.03905	46.4
145.04906	2.4
145.06482	3.1
146.05936	2.7
147.04344	3.2
147.11847	2.5
149.02339	61.3
150.03073	7.8
151.03896	4.3
153.01825	100.0
155.04839	2.6
155.06013	5.1
156.06665	3.4
162.05495	3.2
162.09105	2.4
163.03894	8.3
164.07045	4.6
166.08585	4.7
167.03383	15.1
171.02867	4.3
171.05600	3.1
173.05812	3.1
173.07104	6.3
174.05481	3.6
179.03349	2.4
183.04362	5.8
189.06595	15.1
191.03444	6.2
195.02837	16.7
199.04944	2.5
201.05452	8.6
208.09685	4.5
213.10139	2.6
217.06053	14.9
219.02995	16.2
229.04936	23.8
235.07120	16.6
247.06012	32.0
254.51805	2.9
257.04544	3.6
267.11386	6.4
270.81805	2.3
275.05469	52.9
276.05872	3.1
284.07077	2.9
285.12189	4.9
294.78851	2.5
303.01270	5.8
303.05200	14.0
303.13336	9.1
313.06644	2.2
321.05875	3.7
321.14359	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	321.0602
Annotation	2,2',3-Trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl
Peak:m/z	Relative Intensity
53.00309	0.9
54.24395	0.7
56.53072	0.7
57.83752	0.7
65.03930	2.6
67.01849	1.9
68.99796	4.1
69.03416	2.6
70.74515	0.8
70.74873	2.3
81.03424	0.8
93.03387	1.0
97.02891	1.2
105.03355	1.1
109.02895	2.1
110.38726	0.6
111.00783	1.6
111.04431	6.6
112.19718	0.8
115.26096	0.7
117.07027	0.7
121.02866	8.2
127.03914	2.3
131.04868	0.8
139.03900	23.6
145.06496	2.6
146.43842	0.8
149.02342	33.0
150.03148	3.7
151.03894	2.7
153.01828	100.0
154.02151	3.3
155.02339	1.4
155.04907	1.8
163.03888	1.3
165.01846	1.3
167.03415	10.3
173.06013	2.9
177.01881	1.4
179.03418	1.5
183.04350	4.1
191.03316	1.1
195.02898	11.7
201.05518	4.8
213.05547	0.8
217.05067	0.9
219.02872	5.1
229.04991	11.6
247.06046	17.1
257.04495	3.9
274.04697	1.3
275.05493	24.6
303.04953	6.4
321.05075	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	321.0603
Annotation	2,2',3-Trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl
Peak:m/z	Relative Intensity
51.52314	1.4
55.01850	1.3
65.03937	7.8
68.99789	5.6
69.03422	2.0
70.74844	4.3
70.75197	1.9
82.06518	1.5
85.75348	1.6
90.51895	1.5
93.03394	3.2
105.03390	1.9
109.02887	4.4
111.00801	2.1
111.04447	11.9
117.07014	1.4
121.02862	17.4
123.04414	1.9
127.03922	2.9
131.04886	2.4
139.03900	54.1
145.06471	4.4
147.04366	1.6
149.02333	65.1
150.03130	8.1
151.03932	2.7
152.30377	1.6
153.01823	100.0
155.04919	4.5
163.03923	4.2
165.01720	1.6
167.03384	14.6
173.05963	7.9
177.01793	2.1
183.04405	9.1
195.02896	12.7
201.05472	11.3
219.02904	6.9
229.04936	25.0
247.06021	31.7
257.04456	6.7
274.04706	1.9
274.40726	1.5
275.05481	41.9
303.05014	8.5
321.06107	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	320.134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	5.0
56.96565	7.8
57.03419	4.6
60.04529	6.8
67.05494	12.5
69.03420	12.0
69.06728	5.7
69.07072	78.6
70.06586	16.2
71.40663	11.4
81.03405	7.8
84.04493	7.9
84.08152	9.4
85.02436	4.9
85.02907	61.3
86.09695	6.1
95.04963	11.0
95.49513	4.7
97.02903	27.4
109.02856	12.9
112.07606	46.2
116.07062	4.8
116.98656	6.3
126.05634	4.9
127.03883	11.1
138.54359	4.4
139.03859	5.1
140.07059	52.2
140.10536	5.4
146.05962	4.9
153.01773	5.8
158.08125	100.0
159.06386	4.8
173.12845	7.3
182.08136	24.9
189.06638	7.8
191.04823	5.1
200.09177	30.2
217.06148	11.2
217.08086	5.5
235.07094	16.1
303.01355	5.8
303.05734	5.3
320.14023	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	321.0602
Annotation	2,2',3-Trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl
Peak:m/z	Relative Intensity
53.00322	1.1
55.01872	0.9
65.03940	7.4
67.01854	2.1
68.99780	5.5
69.03436	1.3
70.55276	0.7
70.55625	2.3
75.58516	0.7
76.43448	0.7
81.03393	1.4
83.01336	0.7
83.04974	0.7
93.03384	2.3
97.02910	1.4
105.03393	1.0
109.02877	3.4
111.00790	1.7
111.04440	14.0
117.07010	0.9
121.02864	19.4
123.04408	1.5
125.02372	1.3
127.03899	3.2
131.04927	1.7
133.02832	1.5
137.02353	0.9
139.03899	53.9
140.04262	1.0
145.06499	3.6
149.02338	65.7
150.03131	8.5
151.03917	3.8
153.01825	100.0
154.02405	1.0
155.04910	3.8
159.04413	2.1
161.06006	1.2
163.03931	3.7
165.01868	0.9
166.04723	0.7
167.03392	15.2
171.02992	1.2
173.02460	0.7
173.06001	7.6
177.01816	2.0
177.05476	0.8
183.04456	5.0
184.05084	0.8
187.03844	1.1
191.03398	2.5
195.02896	19.7
201.05479	11.4
202.73669	0.8
205.04964	1.8
211.03912	1.5
212.82651	0.9
219.02887	7.5
219.06403	1.3
229.04944	21.5
230.05243	1.1
236.63977	0.8
247.03436	1.5
247.06021	32.4
252.88646	0.8
257.04410	9.1
261.03885	1.6
265.99384	0.7
274.04666	1.7
275.05487	50.4
276.05740	2.0
303.04996	12.1
321.06049	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	320.134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	11.7
61.02905	4.9
64.91113	4.2
65.30350	3.7
67.05502	4.6
69.03420	18.4
69.06728	7.6
69.07072	100.0
70.06591	27.4
71.04986	5.2
71.57156	5.6
71.57565	4.9
72.08157	7.2
72.87433	3.9
81.03444	9.5
84.04500	14.0
84.08137	5.7
85.02920	41.2
87.21110	4.0
90.05531	4.2
95.04946	8.4
96.04457	4.3
97.02882	23.8
98.06024	5.9
98.97575	20.8
109.02879	14.9
112.07617	22.9
114.05491	3.7
115.36567	3.7
116.98647	19.6
127.03919	6.8
128.98610	7.1
132.95801	4.5
134.99643	15.3
140.07068	47.6
141.05486	9.7
146.06026	5.3
146.99590	9.2
149.01215	4.7
152.07126	4.8
153.01833	5.1
158.08148	63.8
173.07114	5.5
175.02733	5.5
177.00755	6.5
177.05814	4.7
182.08072	6.2
185.02080	4.1
189.06601	17.4
218.04335	6.1
229.09047	3.7
234.98984	17.6
235.07199	10.8
237.02776	12.0
251.99290	3.9
279.07504	15.1
297.08627	6.4
302.10382	5.0
303.05664	6.0
320.14087	21.4
321.08514	5.5
338.08481	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	319.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.9
56.25411	0.6
57.03437	1.1
65.03937	9.1
71.13672	1.3
79.05493	2.0
80.05002	0.9
81.03413	0.8
81.05793	1.3
81.07060	1.0
82.06611	1.0
85.02888	0.8
92.04472	1.0
92.05009	11.9
92.05548	1.4
93.03401	0.6
94.06573	0.9
95.04971	1.0
96.08124	10.1
97.06537	1.6
108.04477	0.8
108.08097	0.8
109.06519	1.4
110.05979	0.9
120.04428	1.9
122.06028	2.4
124.07586	7.3
125.08343	0.8
126.09155	15.7
129.06960	0.7
131.02248	0.7
136.03885	1.5
138.05515	1.8
138.09140	5.0
144.08055	0.8
146.06027	1.3
148.03925	3.3
150.05504	2.8
150.09129	1.7
152.03423	1.8
152.07065	49.2
153.01917	1.6
157.08792	1.5
160.13326	0.8
164.03392	1.7
166.05000	100.0
167.05348	0.9
167.07220	1.1
169.07605	0.8
170.06096	0.7
171.09190	2.1
172.07639	0.8
173.07098	1.3
174.05577	1.1
176.03429	14.5
176.04951	0.8
182.04489	18.4
182.08214	0.8
182.09695	1.0
183.06754	0.9
184.09808	1.6
185.08417	1.3
186.09077	1.1
187.08627	1.0
194.04482	11.6
197.08470	0.9
197.10756	1.0
198.07863	2.4
199.08672	4.4
199.12289	1.3
200.10750	6.0
201.13849	1.3
207.27966	0.7
209.10728	2.1
211.08652	3.6
212.07494	1.2
212.09373	6.4
213.10234	1.5
215.08043	1.4
225.06633	1.7
225.10176	5.3
226.08701	0.9
226.11017	1.6
227.08156	2.5
227.11752	9.1
228.10283	5.9
229.09622	0.9
229.13370	2.5
233.09218	6.4
237.10065	1.3
239.08191	2.9
240.08832	7.9
241.09731	2.8
242.10466	1.9
243.11334	1.3
244.08257	1.4
245.09320	1.5
245.12923	0.9
253.09698	5.8
254.08089	1.7
255.07640	1.2
255.11279	8.0
257.09357	5.5
257.12814	2.7
259.07153	6.6
261.12311	3.7
270.09973	3.3
271.10776	20.6
272.09079	3.0
273.08737	2.2
273.12308	4.9
275.14005	0.9
283.10773	76.3
284.11130	3.0
288.11050	1.9
289.11835	14.5
301.11829	66.3
302.12225	2.5
319.12878	56.0
320.13181	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1539
Annotation	Zearalenone
Peak:m/z	Relative Intensity
56.96297	4.9
56.96565	75.2
58.28303	3.0
64.95408	3.0
69.56848	6.0
69.57256	19.6
72.96034	5.9
81.87392	3.4
86.09686	9.9
98.97548	3.9
101.00850	3.5
110.07159	13.4
116.88081	3.3
116.90958	2.9
119.01909	6.9
131.01956	3.7
137.51463	3.4
142.05389	4.4
144.03366	3.6
158.04889	11.0
160.06485	15.8
161.27411	3.5
176.05875	3.6
178.07515	9.2
188.05974	11.2
189.04355	12.6
206.06978	20.2
207.05444	11.4
217.01927	4.6
218.56952	3.7
221.01979	4.2
224.02744	3.4
224.08069	38.7
235.63876	3.7
301.14282	10.1
319.15430	100.0
320.15439	3.3
337.16449	22.8
340.77362	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	319.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05538	1.2
55.33762	0.6
57.03461	1.0
62.05157	0.7
67.05528	1.3
68.99821	0.8
69.03460	1.3
69.07084	1.7
69.95641	0.6
70.06625	1.6
70.09864	1.9
70.10267	1.4
74.06102	1.0
74.56964	0.8
79.05526	1.4
81.07106	2.2
82.06615	1.4
83.05031	0.8
84.08178	1.2
85.02949	3.0
85.06611	1.0
86.09765	1.5
91.02743	0.7
91.05533	1.2
93.07059	1.2
94.06605	1.4
95.04973	1.7
95.08656	0.8
97.02928	1.2
97.06583	0.9
98.21416	0.8
105.07045	1.0
107.04984	0.8
109.02956	0.7
109.06608	0.7
122.06026	0.7
124.07644	0.9
125.02401	0.8
127.03906	0.7
130.06566	4.0
130.08611	0.8
135.04446	0.7
137.02391	0.8
137.06070	1.3
137.85716	0.7
139.03906	0.9
151.03929	1.7
153.01904	2.5
156.06834	1.1
157.07643	4.7
157.08707	2.0
160.07631	0.9
163.03973	2.4
166.05061	1.2
167.07269	0.8
169.07661	1.0
171.09244	1.7
173.08450	0.7
174.09163	1.6
177.05550	1.0
178.05051	2.1
180.06984	0.8
184.10030	2.1
185.07095	0.9
194.08368	1.1
197.07191	1.2
199.08742	2.7
199.12404	2.2
203.08197	4.9
209.10744	1.9
211.08733	3.3
212.09407	4.4
213.10239	4.2
222.99580	0.8
225.10239	4.8
226.11005	9.2
227.11809	11.7
228.10283	4.5
238.17876	0.9
245.04471	0.9
255.11241	6.4
257.09241	1.2
257.12967	3.1
259.10947	0.8
266.17422	1.2
270.09995	17.2
271.10587	3.8
272.11588	16.7
273.03873	1.2
273.12363	9.5
283.10718	8.5
301.11859	100.0
301.15411	7.6
302.12585	4.4
319.04590	8.0
319.12903	24.1
319.16605	1.6
320.13245	0.9
320.20712	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1175
Annotation	4-O-Methyl episappanol
Peak:m/z	Relative Intensity
50.23329	0.7
53.03937	1.5
55.01873	2.0
57.02811	0.6
57.03433	0.8
67.05499	2.2
68.99795	3.1
69.07067	1.0
79.05490	7.7
81.03418	1.1
81.07059	2.1
83.04973	2.6
85.02887	1.1
91.05483	1.9
91.36196	0.7
93.03381	0.7
93.07047	3.9
95.04964	4.8
95.08604	1.3
97.06525	2.5
99.04453	3.9
103.05453	3.4
105.03379	1.0
105.07045	4.1
107.04944	11.0
107.08566	0.7
109.02911	0.9
109.06528	1.0
111.04442	5.8
111.08080	1.6
118.04159	4.2
119.08600	0.7
121.06491	8.3
123.04424	100.0
124.04790	1.6
125.05957	1.7
127.03929	5.9
131.04912	3.8
133.06487	98.8
134.06793	1.8
135.04420	9.0
137.06007	1.5
138.03137	0.8
139.07501	5.5
147.04405	1.0
149.05963	16.9
152.04607	1.0
153.05424	4.9
159.08130	1.6
160.05197	1.1
161.05975	77.3
162.06259	1.8
163.03880	0.8
165.05467	41.5
166.05789	0.9
167.07033	98.5
168.07346	1.4
187.07516	2.2
189.05479	2.4
191.07014	29.9
193.08548	0.9
195.06561	2.0
217.08563	1.4
301.10596	1.1
318.36880	0.8
319.04456	1.0
319.11786	8.0
319.22559	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0813
Annotation	Lecanoric acid
Peak:m/z	Relative Intensity
53.03938	3.8
55.01874	2.1
55.05508	3.2
56.46673	1.4
57.03426	1.2
65.03941	3.1
67.05487	6.9
68.99816	2.1
69.03455	3.4
69.07060	4.8
71.04983	2.6
79.05495	7.5
81.03403	4.1
81.07046	7.1
83.04983	3.9
85.06518	2.0
87.04476	1.5
91.05494	8.5
93.07044	6.1
95.04953	7.8
95.08605	7.0
97.06514	10.3
98.20763	2.5
99.04445	1.6
100.38351	1.4
102.04671	1.6
103.05485	2.0
105.03385	1.5
105.07033	4.9
107.04939	12.9
107.08586	6.9
109.02869	5.7
109.06504	3.4
109.10149	4.7
111.08096	2.6
115.05436	6.3
116.06288	1.6
117.07007	5.4
119.08599	5.7
121.06488	2.4
121.10151	4.8
123.00968	1.3
123.04428	18.3
123.08090	2.1
123.11711	2.2
125.05956	1.5
127.03861	1.3
127.05497	1.7
128.06213	23.0
129.06998	28.2
131.04955	6.4
131.08577	5.1
133.02824	1.5
133.06519	3.0
133.10133	5.7
134.03633	1.3
135.08044	2.0
137.02350	2.2
137.05962	3.2
137.09644	2.5
139.03931	4.6
139.05428	4.4
139.07576	1.7
141.06972	4.9
142.04144	3.1
142.07745	1.5
143.04878	1.9
143.08536	2.2
144.05719	4.4
145.06482	9.4
145.10149	4.2
146.07256	1.9
147.04410	3.3
147.08073	3.4
147.11711	2.4
148.25900	1.5
149.02354	4.8
149.09639	2.0
149.13306	2.3
150.03145	2.3
151.03882	7.9
151.07542	2.8
153.01862	6.3
153.05510	3.1
154.06236	4.6
155.04904	12.8
155.05975	2.1
156.05699	7.8
157.06487	42.9
157.07764	2.7
157.10110	2.4
158.07152	2.9
159.04436	6.7
159.08057	5.4
159.11658	1.9
160.05049	1.3
160.84274	1.4
161.05983	2.3
161.09669	1.5
163.03932	3.6
164.04707	5.2
165.09151	1.6
166.02690	2.2
167.07072	11.5
168.05730	2.1
169.06451	3.1
169.08720	1.7
170.03629	8.9
171.04417	7.1
172.05147	1.9
173.05995	7.4
173.13269	4.9
174.06781	6.1
175.03954	2.4
175.07556	6.0
176.04684	3.2
177.05438	3.0
178.06252	1.9
179.03386	1.4
181.05016	10.0
181.08588	5.9
181.09988	1.5
183.04440	17.9
184.05209	11.7
184.13391	4.0
184.32098	1.4
185.05978	46.2
186.06587	1.4
187.03859	8.3
187.07516	8.1
188.04770	2.3
189.05423	4.5
189.09058	3.2
189.12718	1.8
195.11684	1.4
197.05986	1.5
198.03117	4.0
199.03900	9.3
201.05469	14.0
202.06268	19.8
203.07040	5.8
205.08649	2.4
211.04057	2.9
212.04701	8.8
213.05467	31.0
214.06197	12.7
215.03354	11.4
215.07068	2.7
216.04164	2.2
216.07825	2.5
217.08586	26.6
219.10204	1.5
227.03389	3.0
229.05013	9.8
230.05702	18.8
231.06531	3.3
240.04213	8.7
241.04951	5.3
242.05734	12.8
243.02898	9.5
243.06438	1.6
244.03571	2.1
244.07324	3.7
245.08095	29.0
255.06523	2.9
257.04468	7.5
257.08167	5.3
258.05228	19.6
263.09003	2.3
268.03717	2.3
269.04288	2.5
271.06180	2.6
273.07568	100.0
273.10959	4.9
273.17581	3.0
274.07889	2.6
283.20187	1.5
286.04755	3.5
286.08286	1.4
291.05725	1.1
291.08640	32.8
292.08939	1.5
301.07120	99.8
301.10660	16.1
302.07318	3.0
319.04526	3.9
319.08298	1.5
319.12073	2.2
319.18387	2.4
319.22647	5.2
319.26379	3.0
319.81949	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0812
Annotation	Lecanoric acid
Peak:m/z	Relative Intensity
55.01856	1.5
55.05511	1.6
55.63988	0.8
65.03931	2.1
67.05488	3.6
68.99785	3.0
69.03402	1.4
69.07056	1.1
69.92967	0.7
76.68433	0.7
79.05511	3.9
79.05902	0.7
81.03427	7.3
81.07049	2.1
83.04955	3.7
85.02869	0.9
91.05465	2.5
93.07044	1.5
95.04971	9.3
95.08638	1.8
99.04451	2.1
103.05447	0.9
105.03386	2.8
105.07019	2.7
107.04951	4.4
107.08583	1.5
109.02883	16.3
109.06527	2.1
109.10168	1.6
111.00803	0.9
111.04428	1.2
119.04926	1.5
119.08575	1.2
121.06475	2.0
123.04426	53.6
123.08107	0.8
124.04771	1.4
125.05912	1.3
126.03092	2.6
127.03910	18.0
133.02843	7.5
134.03616	0.9
135.04399	1.8
137.05968	2.9
137.09616	2.7
138.03111	7.1
139.03906	1.8
139.07590	0.8
141.05449	2.6
143.08534	1.1
145.06523	1.4
147.04401	3.5
147.08044	1.2
149.02339	2.9
149.05989	2.1
150.03090	2.5
151.03903	100.0
152.04333	1.8
153.01834	19.1
153.05469	56.0
154.05812	1.2
159.04404	0.9
161.06013	2.2
163.03937	1.8
165.05487	7.7
166.06311	0.8
167.03494	1.5
167.07037	2.9
169.04973	12.7
171.04420	1.1
173.05946	1.0
179.03394	50.6
181.04910	1.5
183.06544	1.1
185.06052	2.0
189.05452	4.3
193.05005	3.1
197.06163	0.8
199.03961	1.0
201.05447	1.5
202.06187	0.9
203.07053	1.6
205.08540	1.2
213.05537	3.7
217.04926	1.2
227.06926	1.6
229.05005	1.8
231.06496	2.4
240.04289	0.8
241.04938	3.0
245.08072	2.7
258.05234	1.3
269.04456	4.0
273.07535	2.6
273.11090	1.0
283.09665	6.4
285.03922	12.7
286.04672	14.1
289.10757	1.4
291.08578	9.0
301.07074	29.2
301.10696	10.1
319.08127	66.1
319.11630	3.1
320.08472	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.081
Annotation	Taxifolin 4'-methyl ether
Peak:m/z	Relative Intensity
53.03941	1.8
55.01868	1.1
55.05508	0.7
65.03954	0.5
67.05489	1.5
68.99783	1.2
69.03418	0.6
69.07043	0.7
71.10070	0.9
77.03944	0.5
79.05492	10.1
81.03406	2.5
81.07076	2.8
83.04980	1.3
91.05497	2.2
93.07042	1.2
94.04180	0.5
95.04964	8.1
95.08613	0.8
97.06535	1.0
103.05514	0.6
105.03398	0.8
105.04511	0.9
105.07018	1.4
107.04954	35.2
107.08607	1.5
108.05283	1.8
109.02868	4.0
109.05401	0.5
109.06502	1.6
109.10128	1.4
111.04410	0.6
111.08057	0.6
111.75806	0.4
115.05441	0.6
119.04989	0.7
119.08551	1.0
120.02108	0.4
121.06531	1.0
121.10162	1.0
122.03600	1.1
123.04426	19.7
123.11685	0.6
124.05230	3.8
125.05984	6.8
126.03096	0.5
127.03912	4.5
129.00871	0.4
133.02890	2.0
133.06488	0.8
133.10199	0.4
134.03581	0.5
134.06876	0.6
135.04411	2.8
135.05542	1.7
135.08014	1.4
135.11665	0.6
136.04758	1.0
136.08347	1.0
137.05974	100.0
138.03131	2.3
138.06310	1.9
139.03896	0.7
139.07539	5.9
141.05463	1.0
143.08623	0.5
147.04428	2.2
147.11658	0.4
148.05125	1.3
149.02315	0.7
149.05659	1.3
150.03053	0.7
151.03899	27.7
152.04707	3.8
153.01851	4.8
153.05461	16.0
153.06746	0.6
157.06493	0.5
161.05925	1.5
162.06325	0.6
163.03893	5.5
163.07523	1.3
164.04346	0.5
164.07883	1.5
165.05502	11.0
165.06885	0.8
165.08086	1.2
167.07036	16.9
169.04999	3.6
171.04407	0.8
173.13258	0.5
177.05507	0.7
178.06197	0.6
179.03395	13.4
179.06631	0.9
179.55800	0.5
180.06793	1.8
181.04961	0.6
185.05971	0.9
187.07506	0.5
189.05551	1.2
193.08485	0.5
195.06540	4.4
195.09222	0.6
196.99098	0.4
203.14320	0.6
213.05479	1.4
227.07224	0.4
231.06415	0.5
231.13969	0.4
240.04112	0.5
241.04887	1.2
241.08612	0.8
243.06583	0.9
245.08032	0.7
259.06064	0.6
269.04529	1.2
269.08115	2.6
271.05997	2.0
273.07718	0.7
282.19901	0.4
285.03848	4.2
286.05215	3.6
286.08337	3.4
291.08548	3.1
291.11169	0.4
301.07141	8.9
301.10724	1.4
301.21552	0.5
319.04807	0.6
319.08124	17.3
319.11682	2.9
319.15128	0.7
319.22769	0.9
320.08392	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78075	5.0
55.01855	4.9
56.96562	96.8
57.03433	8.8
61.02923	23.1
69.03416	20.1
69.62772	37.2
70.06609	7.3
70.98122	4.9
73.02915	12.9
81.03423	14.1
84.08118	8.9
84.96038	11.4
85.02905	32.2
97.02884	19.4
98.97585	100.0
100.07616	12.9
100.99136	7.6
101.00870	12.7
103.02430	8.9
107.01810	5.8
108.06844	5.6
109.02877	9.4
110.01289	9.1
110.97582	11.8
112.99113	7.4
115.02408	8.9
115.70250	4.4
116.98620	59.4
119.01913	53.8
121.01649	6.9
127.03921	10.7
128.02321	14.1
128.98619	19.3
131.00150	16.8
131.01894	38.5
132.00537	5.2
133.03467	40.5
134.99664	25.7
137.02888	19.6
137.05984	6.6
138.05539	6.2
139.05876	4.8
139.08600	5.6
142.96533	10.6
143.00125	9.0
143.01891	6.0
145.01723	5.4
145.03561	26.0
146.99660	26.1
149.01218	14.5
149.02956	14.6
151.04550	10.3
155.01833	5.3
157.01704	6.9
157.03468	9.3
157.04770	6.1
157.06894	7.8
157.09639	5.0
158.03673	4.8
158.99675	13.4
161.01207	13.8
161.02937	23.9
162.99133	6.3
163.02736	6.6
163.04364	4.8
165.00688	9.3
170.99689	7.2
171.01372	7.7
172.99301	6.7
173.01295	5.2
173.02849	10.0
174.99191	8.2
175.02788	48.4
175.04486	14.7
177.00716	23.5
177.02278	8.8
183.01849	5.6
187.00810	6.7
187.04662	5.7
189.00685	11.9
189.02402	5.2
190.98593	5.1
191.02223	7.8
191.03960	6.4
193.00311	6.6
193.03769	21.7
199.00922	17.2
201.00764	7.2
203.05756	8.0
205.05612	5.8
205.07344	6.3
206.98207	6.5
207.01750	5.5
208.99768	5.7
213.03380	14.2
215.00323	6.8
217.01912	27.2
217.03860	38.7
219.01802	14.5
221.05055	7.8
222.03795	5.5
222.05779	6.5
224.54298	4.6
227.00453	8.3
229.01955	7.8
229.57835	4.9
231.03574	9.8
235.04895	12.1
237.02753	24.9
237.08107	5.5
243.17645	4.4
245.01468	28.5
247.03114	7.9
253.07732	5.2
259.03018	14.0
269.05490	16.6
277.04025	19.7
277.09680	7.4
287.02454	18.0
287.05743	4.2
296.08679	5.3
301.11847	14.5
319.07037	48.7
319.13046	26.6
319.88187	5.2
337.07867	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	319.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	19.9
57.03423	4.0
58.99863	2.9
59.14747	2.1
61.02926	15.8
67.00364	1.8
69.03423	3.5
71.37096	3.5
73.02910	3.8
77.00893	5.9
81.03385	2.7
82.99896	1.9
84.96037	2.8
85.02893	7.9
86.03289	1.8
86.99311	2.1
91.02431	2.2
91.05456	2.5
95.01968	2.0
98.97590	9.7
100.99068	2.3
101.00886	20.2
102.00903	1.9
103.02445	19.3
105.00368	2.9
109.02857	2.7
113.00863	4.6
115.02403	13.9
116.98624	5.3
119.01920	89.7
120.02013	2.0
121.01646	4.7
121.03503	14.2
123.40826	2.1
126.98801	3.0
127.02446	4.8
128.02292	4.8
128.03326	1.6
128.98601	5.0
131.00340	3.2
131.01915	69.6
133.03465	89.7
134.03548	3.8
134.99658	5.0
137.02951	21.5
141.01349	2.6
142.03531	4.4
143.01889	7.1
144.99831	22.0
145.01686	2.4
145.03477	49.9
146.99634	6.5
147.01372	6.3
147.05003	6.6
149.01218	2.3
149.02948	32.0
150.01811	7.0
151.04526	19.6
154.98282	2.5
155.01894	3.1
156.05038	2.4
157.03458	10.5
159.01329	2.8
160.02240	3.8
161.02948	26.3
162.99121	1.9
163.00850	5.6
163.04543	14.0
165.00734	4.3
167.04054	5.4
168.99844	11.4
171.01352	20.5
172.99388	13.2
173.01663	2.5
173.02934	12.6
175.01036	2.1
175.02829	4.0
175.04539	19.9
177.00960	3.0
177.02377	10.1
179.03998	4.5
183.01286	10.0
183.05090	3.2
184.01375	2.7
185.02966	4.5
186.02751	2.5
187.00890	21.8
187.04504	5.9
188.97060	6.1
189.02376	13.9
190.98796	3.5
191.00369	18.2
191.02174	4.3
191.03961	13.0
193.00195	5.3
193.05539	2.1
196.01253	3.3
196.99388	2.7
199.00876	51.8
201.00786	2.6
201.02441	19.1
203.04013	6.9
205.00185	3.2
205.01898	12.7
205.05565	4.2
206.98167	2.5
207.01746	2.6
207.03545	3.7
209.05124	2.2
211.00990	4.5
213.02298	2.4
215.00377	23.4
215.03987	4.7
217.01949	54.8
217.03972	3.3
219.01582	2.9
219.03510	4.3
221.05112	5.5
223.04761	2.6
226.02385	4.8
227.00359	21.5
229.01941	26.2
231.03529	17.6
233.05074	2.3
235.02982	5.7
237.02884	2.8
241.02052	2.7
243.03432	5.8
245.01442	100.0
247.02982	8.0
249.04672	11.7
252.03465	2.0
259.00204	3.1
259.03009	57.2
261.04562	10.7
268.03036	6.7
269.05597	3.1
273.04675	2.6
277.04099	34.4
277.09259	3.4
287.02460	38.1
289.04099	2.1
300.05505	3.3
305.03662	6.9
319.05179	12.9
319.10110	9.7
337.09851	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	319.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80326	2.6
51.32207	2.4
55.01865	3.2
55.05486	3.9
56.96567	34.4
60.45973	2.7
61.02911	3.5
67.01830	2.5
67.05506	3.0
67.27688	3.0
69.03402	6.7
69.53986	2.4
70.06595	6.5
71.39971	2.5
71.57717	4.3
72.08145	7.1
73.02914	4.7
73.06543	3.0
78.34474	2.8
81.03403	4.7
83.06097	7.1
84.08146	6.8
85.01405	6.0
85.02905	12.8
86.09711	9.0
87.10015	4.2
91.05480	2.9
93.04575	4.8
95.01361	2.3
97.02892	6.5
98.97578	8.5
102.05518	2.6
103.02448	56.3
105.00371	3.2
107.04990	6.1
109.02888	3.1
110.07170	61.5
110.99269	2.6
113.00832	4.4
116.98623	8.6
117.03983	21.0
119.01919	19.3
121.03484	52.8
123.04456	3.6
126.03992	3.9
127.02464	3.0
128.98639	3.5
129.00339	5.6
129.03947	4.3
129.10225	3.1
131.01909	28.7
133.03500	7.8
134.99641	7.9
135.05048	36.2
136.07585	3.2
137.03049	13.1
137.05969	7.8
138.06558	2.9
139.03902	10.2
144.98134	4.1
145.02606	2.7
145.03508	31.4
146.01262	3.8
146.99648	4.8
147.01401	60.1
147.05064	3.6
149.02975	8.6
150.02908	2.6
151.03951	12.2
153.01828	13.3
155.04671	6.3
156.07645	7.4
157.03467	11.5
157.04611	3.1
159.05045	7.3
161.01186	7.4
161.02957	22.6
161.06612	3.7
162.99188	8.1
163.04601	38.4
165.02477	32.2
168.05133	3.3
170.02994	3.2
171.01361	6.8
171.04926	4.9
172.13422	3.1
173.02963	25.4
175.04478	11.8
177.00629	4.3
177.06104	2.8
179.04047	3.5
181.00198	7.4
183.01401	4.9
183.03551	7.3
185.02975	6.0
187.04552	3.4
187.68106	2.8
189.00784	6.9
189.02461	67.6
189.06046	4.9
191.03984	6.2
199.00931	12.5
199.04565	3.2
201.02415	26.6
203.03978	4.6
205.00198	9.2
207.01741	8.2
207.03506	70.1
212.04041	6.4
215.04056	21.2
217.02010	18.7
221.05031	6.1
223.01248	26.0
224.04140	3.4
227.00459	3.3
227.06769	3.8
230.05104	3.5
231.03510	34.1
231.07114	4.0
233.05026	15.9
237.02728	4.8
238.60237	3.2
241.02171	5.3
243.03513	100.0
243.07304	4.7
244.03806	3.7
245.01642	5.8
245.04286	4.8
249.04633	16.3
257.05103	4.1
259.03027	49.7
260.03339	2.9
261.04523	3.8
273.03989	3.4
277.04111	16.5
287.02615	14.8
300.05542	3.6
301.12930	3.4
309.08575	10.1
319.05045	24.5
319.08444	3.2
319.10175	5.0
319.13495	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	319.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44243	2.3
55.87431	1.9
56.96570	21.2
57.03435	4.6
58.59007	2.0
58.99876	2.3
60.75824	2.4
61.02925	20.4
69.03432	3.7
71.04996	3.7
71.15600	3.8
71.15922	3.0
73.02951	2.9
77.00900	7.7
81.03427	5.1
85.02898	12.8
89.00867	3.7
97.02922	6.1
98.97598	13.1
100.07601	4.1
101.00337	2.2
101.00885	14.9
103.02445	18.5
105.00363	5.3
109.02871	5.2
110.01236	2.4
113.00858	5.7
115.02431	12.3
116.98645	9.1
117.04030	3.1
119.01920	100.0
119.04934	2.3
120.01995	3.2
121.01695	5.9
121.03498	18.5
122.02335	2.1
126.98806	3.2
127.02443	3.1
127.03915	4.3
128.02312	5.4
128.98640	3.3
129.03944	3.9
129.14085	2.2
129.38452	2.1
131.01913	79.1
133.01746	3.8
133.03471	89.5
134.99730	4.5
135.01349	2.5
137.02951	22.0
142.03500	3.4
143.01895	7.3
144.99838	22.8
145.01680	5.4
145.03481	55.7
146.99672	6.6
147.01422	9.1
147.05090	6.9
149.01208	3.2
149.02954	33.5
150.01805	3.8
151.04538	23.8
155.01926	3.7
156.05090	2.7
156.53835	2.9
157.01561	2.8
157.03465	15.5
160.97598	2.4
161.01305	5.0
161.02986	29.2
163.00928	5.2
163.02618	3.6
163.04547	14.2
165.00693	4.1
167.04028	4.3
168.99849	9.2
170.99956	4.6
171.01357	20.2
172.97816	4.7
172.99352	19.8
173.02945	15.3
175.00851	2.9
175.02861	4.8
175.04547	24.1
177.00867	4.4
177.02469	11.1
177.03996	2.6
177.05525	4.9
179.03940	3.8
181.03699	3.2
181.05429	2.4
183.01424	8.3
184.97798	3.1
185.03017	5.1
186.03175	2.6
186.99252	4.6
187.00851	25.8
187.04536	5.2
189.00890	4.3
189.02480	13.3
191.00407	18.4
191.02203	4.9
191.03900	13.8
193.00278	4.0
196.01178	2.9
196.99309	2.4
199.00887	51.7
201.02390	16.2
203.04100	7.5
205.01955	10.0
205.05577	3.3
208.99713	3.1
211.00851	5.8
213.03493	6.6
215.00330	23.1
217.01956	56.4
218.02110	3.1
219.03598	3.8
221.05107	5.2
223.04623	6.0
226.02419	4.6
227.00322	20.7
229.01913	27.3
231.03546	20.8
235.02953	7.1
237.03009	4.4
241.02133	4.1
243.03494	5.7
245.01440	83.1
245.03831	4.4
247.02934	6.0
249.04657	12.4
251.02356	3.0
251.08522	2.3
259.03018	46.0
261.04636	5.1
268.03000	4.3
269.05542	4.4
277.04059	39.1
287.02472	42.7
291.05807	3.7
305.03760	5.5
319.05026	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	319.0447
Annotation	Myricetin
Peak:m/z	Relative Intensity
53.03925	0.2
54.41787	0.3
55.01863	0.7
65.03916	0.7
67.01855	0.6
67.05476	0.3
68.99442	0.3
68.99787	4.5
69.03410	0.8
69.24479	1.6
69.24909	1.7
79.01852	0.4
79.05479	0.4
81.03422	0.6
91.05481	0.6
93.03407	0.5
97.02869	0.6
103.05450	0.5
105.07022	0.7
107.01279	0.4
109.02885	2.7
111.00056	0.3
111.00806	4.6
111.04412	0.9
115.05460	0.3
121.02872	0.5
121.06491	1.0
123.04395	0.4
125.02364	0.4
126.03153	0.5
127.03906	0.9
133.02823	0.6
133.06413	0.4
137.02347	4.6
139.03909	1.4
143.03461	0.5
147.04433	0.7
151.03902	0.5
153.01822	23.9
153.05356	0.6
161.05975	1.4
163.03847	0.5
165.00525	0.6
165.01825	6.8
166.02570	0.9
171.02956	0.4
171.04431	0.9
171.11690	0.3
175.03888	0.5
177.05455	0.8
179.03381	3.5
183.02896	2.4
189.05441	2.4
193.01299	0.6
195.02852	1.4
199.03879	0.8
201.05408	0.3
203.03407	1.6
207.02841	1.0
209.04329	0.3
217.04953	8.4
219.02907	0.8
221.04475	0.8
227.03384	1.2
229.05074	0.7
231.02867	0.6
232.03705	0.4
235.02278	0.5
235.06044	0.4
243.02788	0.3
244.03606	0.7
245.04445	9.6
255.02870	1.3
263.05527	1.0
272.03207	0.5
273.00870	0.5
273.03925	9.4
274.04340	0.4
283.02271	0.5
283.09512	0.3
290.04181	2.2
301.03494	1.8
301.10864	0.8
319.04474	100.0
320.04800	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	319.0447
Annotation	Myricetin
Peak:m/z	Relative Intensity
55.01870	1.2
55.05487	0.4
65.03931	0.9
67.05493	0.9
67.67933	0.4
67.80323	0.5
68.99792	3.2
69.03419	1.1
69.07066	0.7
71.04987	0.6
71.58363	0.4
75.97618	0.5
79.05496	0.8
81.03416	1.1
81.07041	1.6
82.06561	1.2
83.04961	0.5
85.02882	0.6
91.05480	1.4
93.03410	0.7
93.07049	0.6
94.06563	0.6
95.01295	1.0
95.04960	1.9
95.08594	0.9
97.02865	1.0
97.06502	0.5
105.07022	1.5
107.04945	1.7
107.08614	0.7
109.02872	1.0
109.06511	0.4
109.10150	1.0
111.00796	0.5
111.04408	0.5
111.08015	0.4
115.05448	1.5
117.07021	0.5
119.04884	0.6
119.08540	0.7
121.02890	2.0
121.06509	0.6
121.10134	0.8
122.05833	0.4
123.00755	0.9
123.04430	2.1
123.08059	0.6
125.02309	0.9
127.03905	1.3
131.04924	0.5
131.08623	0.6
133.06557	0.5
135.04408	0.5
136.07597	0.5
137.02344	13.4
137.03389	1.0
137.09610	0.8
141.01866	0.5
143.04918	0.6
145.10106	0.7
147.04385	1.8
149.02370	0.5
149.09528	0.5
151.00227	0.4
151.03906	0.7
153.01828	7.6
153.05475	0.8
161.05988	1.4
163.03873	0.6
165.01862	1.8
169.01315	9.6
171.03040	0.6
171.04401	2.6
175.03871	0.7
179.03401	1.4
181.01303	2.5
183.02881	0.6
185.00864	1.1
189.05460	2.0
195.02837	1.2
199.03912	3.6
203.03334	1.3
207.02760	0.4
217.04977	4.4
227.03349	1.8
231.02814	0.6
240.01488	0.4
242.10464	0.5
245.04414	7.6
250.18048	0.5
251.18472	1.3
255.02870	1.6
255.11220	0.7
259.10925	0.8
263.05429	1.4
273.03940	13.5
282.20779	0.6
283.02298	0.7
283.20834	1.1
290.04236	1.1
291.04996	0.5
301.03433	7.8
301.11798	4.5
301.21790	0.7
302.03763	0.7
309.34457	0.4
315.13272	0.8
316.14050	0.9
319.04480	100.0
320.04657	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0445
Annotation	Myricetin
Peak:m/z	Relative Intensity
53.03931	0.1
55.01863	0.6
57.03429	0.1
57.61487	0.1
65.03938	0.9
67.01861	0.7
67.05489	0.3
68.48331	0.1
68.99786	5.7
69.03423	0.9
69.07059	0.3
69.28429	0.8
69.28851	0.3
71.01357	0.2
71.04988	0.1
79.01852	0.7
79.05468	0.2
81.03418	1.1
81.07037	0.4
83.04988	0.1
85.02898	0.3
91.05485	0.5
93.03416	0.5
93.07040	0.3
95.01337	0.3
95.04948	0.4
95.08601	0.1
97.02889	0.9
97.06509	0.1
99.08105	0.1
103.05476	0.3
105.03392	0.4
105.07028	0.7
107.01305	0.4
107.04930	0.3
107.08651	0.1
109.02122	0.2
109.02876	3.1
109.06534	0.1
111.00797	5.3
111.04431	1.2
115.05466	0.6
115.42551	0.1
117.07030	0.1
119.01298	0.1
119.04950	0.2
119.08597	0.1
121.02873	0.8
121.06509	0.8
121.10143	0.1
122.05991	0.1
123.04400	0.7
125.02339	1.0
125.06085	0.1
126.03123	0.6
127.03915	1.0
128.06215	0.1
131.04880	0.2
133.02875	0.7
133.06479	0.5
135.04414	0.3
137.02332	6.0
137.05946	0.8
137.09712	0.1
139.03870	1.1
143.03391	0.6
143.04828	0.2
145.06412	0.1
147.04399	1.1
149.02382	0.7
149.05969	0.2
150.34790	0.1
151.03877	0.4
152.07169	0.1
153.01820	28.9
153.05289	0.7
154.02205	0.3
159.04413	0.3
161.02335	0.6
161.05959	1.2
163.03862	0.7
165.01830	7.3
165.05495	0.2
166.02625	1.2
167.03416	0.3
170.02075	0.2
171.02893	0.3
171.04419	1.2
173.05981	0.2
175.03903	0.6
177.05467	1.0
179.03381	3.6
179.04907	0.2
183.02896	2.0
183.04475	0.2
187.03835	0.2
189.01822	0.3
189.05470	3.0
191.03391	0.4
192.04175	0.1
193.01340	0.7
193.04942	0.4
194.02074	0.3
195.02881	1.9
198.06493	0.1
199.03905	1.5
200.04649	0.2
201.05516	0.2
203.03362	2.0
204.04114	0.2
205.04958	0.2
207.02888	1.2
207.06442	0.2
208.03609	0.2
209.04439	0.2
211.02240	0.1
211.04082	0.1
213.05472	0.2
214.08455	0.1
216.04192	0.4
217.04955	10.0
218.05222	0.2
219.02904	0.9
221.04507	0.9
227.03380	1.1
227.11865	0.2
229.05016	0.6
231.02878	0.7
232.03677	0.5
233.04494	0.3
235.02428	0.6
235.05984	0.8
239.01848	0.3
241.04996	0.2
243.02942	0.1
244.03712	1.0
245.04448	11.2
246.05008	0.2
247.02429	0.1
248.03168	0.1
249.04068	0.2
255.02927	1.7
255.11253	0.2
257.04401	0.2
259.02350	0.2
259.10736	0.1
261.03983	0.2
262.04794	0.1
263.05515	1.3
272.03198	0.3
272.11496	0.1
273.03925	9.0
273.07382	0.4
273.12189	0.5
274.04480	0.1
277.03430	0.2
283.02496	0.3
283.09976	0.4
290.04196	2.5
291.04926	0.4
301.03445	2.0
301.07333	0.2
301.10785	0.9
319.04465	100.0
320.04800	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	319.0446
Annotation	Myricetin
Peak:m/z	Relative Intensity
50.12117	0.2
55.01864	0.6
58.94609	0.2
65.03920	0.9
67.01844	0.8
68.48795	0.2
68.99784	5.3
69.03409	0.7
70.40853	0.5
70.41248	0.5
81.03410	0.7
89.13133	0.2
93.03381	0.4
95.01307	0.4
97.02874	0.6
103.05451	0.4
105.03408	0.3
105.07026	0.5
107.01276	0.3
109.02872	3.2
111.00053	0.3
111.00797	5.3
111.04427	0.9
115.05438	0.5
117.07070	0.3
117.92827	0.3
121.02892	0.5
121.06475	0.4
123.04388	0.4
125.02323	0.6
126.03118	0.7
127.03905	0.7
131.04877	0.3
133.02817	0.6
133.06477	0.5
137.02342	5.3
137.03340	0.2
139.03896	1.0
143.03374	0.5
147.04367	1.1
149.02354	0.5
153.01814	29.5
153.05266	0.4
154.02176	0.3
161.02367	0.4
161.05974	0.9
163.03903	0.4
165.01826	7.1
166.02594	1.0
171.02992	0.3
171.04405	1.0
173.05984	0.5
175.03889	0.4
177.05472	1.0
179.03366	3.8
183.02884	2.2
183.04309	0.4
189.01791	0.4
189.05469	3.3
191.03400	0.3
193.01266	1.3
193.05026	0.3
194.02106	0.4
195.02841	1.4
199.03906	1.4
203.03394	1.7
207.02861	0.9
209.04466	0.3
216.04156	0.5
217.04927	10.0
219.02879	0.9
220.92664	0.3
221.04471	0.7
227.03429	1.1
229.04918	0.6
231.02722	0.5
232.03691	0.5
233.04391	0.4
235.02367	0.6
235.06018	0.6
239.01884	0.3
244.03699	0.8
245.04442	11.6
248.03273	0.3
255.02907	1.7
263.05484	1.5
271.67743	0.3
272.03287	0.4
273.03903	9.5
283.02423	0.4
290.04153	2.7
291.04907	0.4
301.03424	2.1
319.04453	100.0
320.04791	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0447
Annotation	5'-Hydroxymorin
Peak:m/z	Relative Intensity
55.01865	1.2
65.03934	0.6
67.05499	0.7
68.99788	3.3
69.03410	0.5
71.01363	0.4
71.58328	0.7
79.01846	0.3
81.03402	1.4
81.07045	0.3
88.81590	0.4
91.05462	0.4
93.03357	0.5
95.01315	0.9
95.04954	1.2
97.02895	0.6
100.11272	0.5
105.03407	0.4
105.07064	0.4
105.53004	0.3
107.01312	0.6
107.04971	0.7
109.02870	1.3
109.10135	0.3
111.00800	0.8
111.04478	0.8
111.88580	0.3
113.02382	0.6
115.05466	1.0
119.04925	0.6
121.02892	1.7
121.06463	0.4
123.00759	1.7
123.04403	1.7
124.95735	0.3
125.02348	1.4
127.03896	1.3
131.04922	0.5
131.63280	0.4
133.02785	0.5
133.06503	0.7
137.02342	20.3
137.03410	1.7
139.00270	0.5
139.03889	1.2
141.01837	0.8
141.11476	0.4
143.03357	0.5
143.04922	0.8
147.04416	2.2
149.02332	0.5
149.05948	0.4
150.03119	0.4
151.00282	0.6
151.03897	2.1
153.01820	7.2
153.05452	0.8
160.72269	0.3
161.05998	0.9
163.03937	0.6
165.01791	1.6
168.10201	0.5
168.99980	0.6
169.01320	9.1
171.02991	0.5
171.04367	3.5
175.03902	0.8
179.03415	1.1
181.01295	2.5
185.00780	0.6
189.05476	2.3
195.02982	0.5
199.03905	3.7
201.05424	0.4
203.03384	1.2
205.05054	0.4
217.04945	3.7
218.66238	0.5
219.02837	0.5
227.03262	2.1
227.12086	0.3
229.05089	0.4
231.02846	0.6
235.06148	0.4
245.04440	7.4
249.03751	0.6
255.02896	1.7
262.04782	0.3
263.05502	1.2
273.03928	17.3
274.04312	0.4
283.02335	0.6
290.04153	1.4
291.04874	0.6
301.03442	12.6
301.06625	0.5
302.03873	0.7
314.68408	0.3
319.04474	100.0
320.04776	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2425
Annotation	17beta-Hydroxy-4,17-dimethyl-4-azaandrost-5-en-3-one
Peak:m/z	Relative Intensity
53.03941	2.9
53.42224	0.4
54.62135	0.4
55.01881	0.4
56.05035	0.7
57.07090	0.8
63.40792	0.4
63.77303	0.4
67.05492	0.6
70.29629	2.0
71.08630	1.2
74.21569	0.4
77.52747	0.4
79.05507	0.4
81.03431	0.7
81.07059	0.4
82.06073	0.4
82.06561	2.2
88.07626	0.5
91.04909	0.4
91.05473	11.0
93.07038	17.9
95.04967	4.4
95.08596	0.9
103.05457	11.9
105.04504	0.7
105.11120	0.5
107.04919	1.0
121.06497	100.0
121.28156	0.4
122.06841	1.1
164.10735	1.1
198.18526	16.5
199.18913	0.7
318.24261	64.2
319.24506	2.3
328.88608	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82030	12.6
69.24692	100.0
69.25123	40.2
71.70851	11.6
90.88822	10.8
93.16336	11.1
98.21436	25.9
105.64860	13.0
112.29712	12.3
124.19659	14.0
256.26392	26.8
318.24149	13.8
318.30020	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	319.0447
Annotation	Myricetin
Peak:m/z	Relative Intensity
55.01854	0.6
65.03933	0.8
67.01842	0.6
68.99788	6.6
69.03400	0.5
69.07047	0.7
70.74725	1.1
70.75089	1.2
81.03402	0.8
81.68869	0.5
85.82079	0.6
86.09691	1.5
91.23109	0.5
93.03385	0.7
109.02859	4.1
111.00784	5.7
111.04417	0.9
121.02862	0.7
123.04450	0.7
125.02400	0.7
127.00050	0.8
127.03921	1.2
133.02875	0.6
133.06433	0.7
135.04395	0.6
137.02316	5.6
139.03946	0.9
143.03325	0.6
147.04428	0.8
149.06073	0.6
153.01826	29.6
153.05450	0.8
161.05949	1.3
165.01840	8.0
166.02577	0.9
171.04420	1.2
177.05490	1.5
179.03380	4.0
183.02965	3.2
183.04306	0.6
189.05440	2.2
193.01366	1.1
195.02904	1.8
199.03949	0.7
201.05560	0.6
203.03395	2.2
207.03015	1.0
217.04938	12.0
221.04468	0.7
227.03375	0.7
229.04971	1.0
231.02907	0.7
235.06076	0.7
244.03636	0.9
245.04448	13.3
255.02869	1.8
263.05453	1.3
265.26059	0.6
272.62222	0.6
273.03873	10.5
283.01968	0.7
290.04199	3.2
301.03329	1.8
319.04474	100.0
320.04813	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	318.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72294	1.7
55.05506	7.4
56.05036	2.7
65.03928	2.3
67.04244	2.6
67.05491	14.4
68.99780	2.7
69.07069	7.5
70.50226	4.8
70.50624	3.2
71.04996	18.1
74.06074	6.2
74.80946	2.3
76.51479	2.1
78.30329	1.8
78.52744	1.9
79.05487	6.5
80.05035	3.8
81.07059	15.2
82.06578	56.1
83.04984	11.9
85.06539	2.7
86.09707	7.4
91.05479	8.3
93.07056	6.8
94.06569	40.3
94.07121	3.8
95.04961	2.3
95.08581	4.5
96.08141	4.7
97.06542	3.0
105.07033	4.1
106.06550	3.4
107.08599	4.2
108.08121	15.6
109.10113	4.1
110.06030	4.1
112.07632	2.3
120.08138	9.3
122.09647	2.3
133.10147	3.9
134.09729	3.2
137.02388	2.4
151.03845	2.4
153.01759	10.9
159.11649	2.5
165.01787	2.3
166.84700	1.8
168.13846	6.3
186.14880	4.8
188.07121	3.0
189.05446	2.4
195.13948	2.1
204.17493	4.8
206.19034	4.2
227.16463	6.7
232.16933	31.6
234.18564	13.7
245.04398	4.2
250.18027	100.0
251.18234	3.3
252.19591	23.6
259.82837	2.1
268.19077	29.7
273.03867	6.9
282.20639	85.6
286.20087	12.6
300.21759	3.8
301.03299	2.5
303.04761	2.3
318.03610	4.5
318.06927	5.8
318.22723	14.1
319.04465	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	318.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
55.05513	8.4
56.05030	2.2
57.07053	2.4
65.03942	1.5
67.04249	3.2
67.05500	17.8
68.05027	1.6
68.99776	2.2
69.03439	1.3
69.07066	8.3
70.06566	1.3
70.13939	3.2
70.14359	2.7
71.04993	16.5
74.06077	3.7
76.89735	1.1
79.05488	6.5
80.05007	3.9
81.07057	14.6
82.06577	61.1
83.04984	12.5
83.08621	3.8
84.04520	1.8
85.02912	2.2
85.06529	3.1
86.09710	7.6
86.58121	1.0
87.55637	1.1
89.68994	1.1
91.05469	5.8
93.07048	6.3
94.06567	45.3
94.26878	1.1
95.04968	2.1
95.08607	6.7
96.08132	5.2
97.06541	2.3
98.06073	2.1
99.06840	1.6
99.08086	2.3
100.07626	2.6
105.07014	4.4
106.06559	4.1
107.07302	3.4
107.08589	5.5
108.08118	19.4
109.06570	1.5
109.10167	3.0
110.06034	4.6
112.07602	3.0
116.99471	1.1
117.07034	2.4
119.08574	2.3
120.08101	10.7
121.08895	2.4
121.10162	2.8
122.09645	3.4
123.11742	2.3
130.06535	1.3
132.08083	3.4
133.10115	4.0
134.09613	3.9
135.11691	1.4
137.02312	3.6
145.10158	1.2
146.05980	2.8
146.09598	1.2
148.11172	1.6
149.13313	2.5
151.11172	2.2
153.01807	7.9
159.09138	2.0
159.11687	2.3
166.53600	1.5
168.13824	5.6
169.01305	1.9
186.14906	1.7
188.07066	5.6
195.13834	2.3
202.98163	1.5
204.17459	5.9
205.09743	3.3
206.18932	1.4
213.14935	1.3
214.16069	1.4
217.04918	3.8
219.02776	1.3
220.17021	1.8
222.18350	1.5
227.16389	10.1
232.16959	31.1
234.18494	11.4
238.17984	2.1
242.17348	1.7
245.04486	4.0
250.18021	100.0
251.18271	4.0
252.19606	29.8
264.19617	1.8
268.19055	28.8
269.19531	1.8
273.03986	3.4
282.20633	90.0
283.21002	5.4
286.20120	27.5
287.20273	1.6
290.04019	1.7
300.21680	6.2
301.03467	3.2
318.03647	2.6
318.06927	3.8
318.22729	12.6
319.04474	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95510	1.5
55.05502	6.4
55.76784	1.7
56.05009	1.8
67.03521	1.7
67.05507	16.8
68.05074	1.7
69.03417	7.1
69.07056	6.4
70.06613	1.9
70.75891	4.5
71.04993	18.5
71.08628	1.9
74.06077	5.3
79.05476	4.9
80.05006	4.1
81.03406	4.6
81.07064	19.7
82.06123	3.7
82.06581	61.0
83.04974	10.8
84.08122	2.0
85.02888	4.4
85.06534	3.7
91.05474	5.0
93.07040	6.6
94.06566	45.4
95.04998	2.6
95.08600	6.4
96.08102	4.6
97.06495	2.3
105.07049	4.7
106.06535	2.1
107.07301	3.2
107.08562	4.8
108.08103	17.4
109.02885	6.0
109.10174	4.7
110.06019	3.0
110.10408	1.6
117.07027	1.5
120.08096	8.2
121.08858	2.4
121.10154	2.4
123.04438	1.8
123.11655	2.4
127.03905	8.8
130.99837	1.8
132.08064	4.2
133.10114	2.8
134.09694	4.5
135.02782	1.7
135.11703	2.9
144.08130	3.3
149.13281	2.3
151.03867	3.8
153.01793	4.9
153.05486	4.6
159.09166	6.2
168.13802	5.5
177.12779	1.9
179.03423	1.8
186.14861	3.6
195.13773	2.2
204.17502	4.2
224.16051	1.7
227.16432	10.9
232.16946	29.8
234.18547	12.9
242.17537	2.7
250.18021	100.0
251.18266	3.4
252.19592	23.3
255.02664	1.8
264.19553	3.8
268.19067	28.6
273.03967	2.8
275.05124	5.8
282.20630	90.6
283.20853	4.8
284.87427	1.7
286.20166	33.0
300.21622	3.8
301.11765	2.8
301.15179	2.4
303.04504	9.1
318.06931	20.5
318.22696	14.7
319.04422	13.3
319.07788	5.2
319.12793	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2023
Annotation	Leu-Val-Ser
Peak:m/z	Relative Intensity
54.29766	1.0
55.05514	7.7
56.05010	1.0
57.07066	1.3
60.04526	31.2
60.72188	1.0
65.35844	1.0
67.45396	1.0
69.03426	4.6
70.02940	1.9
70.03765	2.0
70.06591	1.8
70.30386	0.9
70.55312	3.2
71.00945	1.0
72.08154	62.8
81.07060	1.6
84.08163	2.5
84.54689	1.0
85.02895	1.1
86.09705	45.4
87.05585	18.1
87.10036	1.3
88.03934	1.0
94.06555	2.0
96.08115	1.8
97.02871	1.1
107.04979	1.3
114.09167	21.0
118.08644	1.8
119.04960	1.5
120.08120	1.6
123.04424	7.0
124.04772	3.7
128.10725	3.4
129.10277	1.0
132.10222	6.7
134.99683	1.6
139.03889	2.0
141.05345	1.1
147.04398	3.2
148.04761	3.1
153.01825	1.8
159.11288	100.0
160.11664	1.8
163.03944	1.2
163.84755	1.0
165.05472	12.7
166.05788	11.1
173.12854	45.8
174.13094	1.3
187.10777	27.0
187.12321	2.0
195.06503	1.5
196.06618	1.0
201.12314	9.5
205.11688	1.2
231.17004	2.2
301.11816	3.0
318.10614	3.3
319.07944	1.8
319.12787	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37248	0.4
53.03930	0.5
55.01860	0.9
55.05495	1.0
56.96571	0.4
57.03429	1.4
61.02914	1.5
64.23667	0.3
67.05502	0.8
69.03427	4.3
69.07051	1.6
70.06579	1.2
70.93589	1.1
71.04978	1.0
72.08147	0.5
73.02895	1.0
74.06071	0.8
79.05490	0.7
80.04970	0.5
81.03397	1.6
81.07050	0.7
82.02942	0.4
82.06567	1.7
83.04963	0.6
83.16600	0.4
84.08114	0.4
85.02419	0.6
85.02898	7.0
86.09716	0.8
87.04456	0.8
91.05479	0.6
93.07034	1.7
94.06563	0.7
95.04947	0.6
95.07328	0.4
95.08604	2.3
96.04499	2.7
96.08134	2.8
97.02897	3.7
97.05276	2.4
97.06512	1.8
98.97533	0.4
99.04404	0.7
100.07594	1.2
103.63364	0.4
108.08098	0.9
109.02890	0.7
109.06517	0.8
110.06045	6.4
110.09665	4.2
111.04411	0.4
111.08070	0.9
111.86228	0.4
118.06424	0.3
120.08089	0.9
121.06535	1.2
122.05969	0.5
123.04448	0.6
123.06689	0.4
125.08372	0.9
126.08204	0.5
126.09147	9.7
127.03931	1.8
128.07109	0.5
130.06493	0.4
137.02371	0.5
137.05977	1.7
138.05515	0.6
138.09132	22.6
139.03917	0.7
139.07561	1.3
139.09454	0.4
142.93987	0.4
147.04370	0.4
151.03882	0.5
152.10722	0.5
153.01833	2.1
156.10193	100.0
157.10635	1.9
162.05482	0.5
163.03903	0.9
165.07028	0.5
168.10201	1.2
180.10205	0.9
183.08070	1.0
195.02856	0.4
198.11182	1.1
211.07526	0.4
212.71329	0.4
215.08131	0.6
219.08064	0.5
220.89069	0.4
222.11197	0.5
237.05513	0.9
245.07993	0.9
250.86707	0.4
255.06599	2.1
273.03915	0.7
273.07455	0.7
273.12350	0.6
290.32791	0.4
300.17703	0.6
301.11938	2.3
318.03702	0.5
318.11472	2.4
318.15533	1.0
318.19156	1.0
319.04517	2.7
319.12717	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96543	2.9
57.03439	5.7
65.03953	2.2
68.99802	1.9
69.03441	11.1
69.07081	4.2
70.06594	100.0
71.57255	2.2
73.02883	2.2
79.05500	2.6
81.03423	4.8
84.04501	6.1
84.08124	4.3
85.02434	2.6
85.02910	40.7
86.06034	1.9
86.09706	3.2
91.03948	2.4
92.04971	2.7
93.07069	2.5
94.06536	2.1
96.04447	3.8
96.08150	2.9
97.02879	10.1
97.06496	3.0
98.97581	6.4
99.04479	2.4
102.05555	3.8
109.02875	4.0
110.06022	2.9
116.98615	4.0
119.01957	2.6
121.06512	27.7
122.06001	2.2
123.04458	2.8
124.07588	2.8
125.07149	2.7
126.09140	2.9
127.03924	8.6
128.03456	2.3
128.07047	2.6
130.06541	12.5
132.04472	3.2
134.99689	2.4
137.05969	2.7
138.05469	5.3
138.09081	4.3
139.03900	2.4
140.07106	2.4
145.04959	9.2
145.06430	2.1
152.07080	7.8
154.04987	16.3
156.06525	21.3
156.10187	6.2
157.07593	8.2
158.06015	7.9
161.02985	3.4
166.04955	18.8
175.08731	11.4
177.00668	3.5
183.07840	2.0
186.11336	2.1
187.07523	4.7
200.05260	4.2
202.07121	4.8
203.08174	5.8
205.08617	2.2
207.02763	1.9
221.09138	15.1
228.08621	3.1
233.34769	1.9
246.09821	9.6
253.50935	2.0
271.10764	5.0
271.16974	1.9
283.10785	15.5
287.10980	2.4
288.10757	2.6
289.30365	2.2
300.10117	6.1
300.13565	4.7
301.11813	16.2
318.12131	25.1
318.15714	3.4
319.04633	4.2
319.12878	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	318.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.01873	1.1
56.96573	4.3
57.03427	2.3
60.89483	0.8
61.02930	3.6
68.05019	2.3
69.03429	13.1
70.06590	1.5
70.25355	3.0
72.04504	1.5
73.02911	2.2
81.03411	4.4
81.15514	0.7
84.04507	1.7
84.08124	1.2
85.02908	20.7
86.09709	3.7
87.04456	2.6
91.03947	1.1
96.04491	32.4
97.02885	8.3
98.97559	1.8
99.04456	1.6
109.02872	2.9
110.06020	1.3
111.04425	2.8
114.05537	3.3
116.98621	1.8
120.04486	0.7
122.06025	0.9
127.03910	5.4
128.45201	0.7
128.98566	1.5
134.99669	2.2
137.06021	1.0
138.05501	43.7
139.03940	3.7
139.06178	1.2
140.04274	1.1
140.07085	1.0
141.06894	0.7
145.04982	2.2
146.99626	1.0
156.06555	100.0
157.07642	0.9
165.00731	0.8
170.08029	0.9
175.02798	1.3
193.03963	0.8
198.07602	1.2
217.03825	1.7
234.99066	1.8
237.02771	0.9
237.06915	0.8
276.10727	1.6
318.11905	9.9
319.07007	2.1
319.13446	1.2
337.08118	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	318.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.3
54.14518	3.1
55.01864	6.8
56.96565	8.4
57.03434	7.1
60.04556	3.3
61.02919	9.9
64.74940	3.4
66.87456	3.8
69.03430	29.8
70.06587	7.1
71.49191	7.5
71.96364	3.6
73.02915	5.7
79.05460	5.0
81.03411	9.7
81.07037	6.1
82.06599	9.2
84.04499	7.2
85.02908	100.0
85.03429	4.9
86.09700	10.7
91.03963	7.9
91.05485	5.4
93.07053	5.4
97.02902	34.5
98.20817	4.6
103.03970	3.8
109.02894	9.0
116.98640	4.7
119.01913	4.3
120.56816	4.1
121.06509	74.2
127.03888	24.9
128.07076	6.6
129.06961	4.3
134.99648	4.3
138.05495	12.9
138.09125	6.2
145.04974	33.3
156.10181	22.4
163.06096	4.0
176.11055	3.8
180.08669	11.6
187.07521	10.9
205.08627	8.5
216.07954	6.2
218.77332	3.4
267.09204	4.3
300.14444	3.7
301.11621	4.0
309.25970	4.1
318.12192	6.2
318.15549	8.4
319.13635	71.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.1
56.96563	35.8
57.03431	13.4
61.02930	23.1
69.03432	38.0
70.06590	6.1
71.05004	6.6
71.59795	3.5
73.02928	20.1
81.03416	29.8
82.06574	39.2
83.04955	4.1
84.08144	7.4
84.96039	4.3
85.02901	58.2
87.04475	7.2
93.02068	3.8
97.02879	30.9
98.03255	3.4
98.97590	25.5
99.04456	7.4
100.07615	100.0
101.00887	10.7
103.02399	6.8
105.02065	3.7
109.02892	20.0
110.01264	4.9
110.07156	5.8
110.15434	3.5
110.97562	4.4
112.99129	6.5
115.02448	3.1
116.98631	16.7
119.01913	61.8
120.02037	9.3
121.01674	4.7
121.03506	4.3
122.00011	3.8
127.03936	19.7
128.02306	6.5
128.98573	5.2
131.00183	13.5
131.01883	24.6
132.72275	3.5
133.01718	4.5
133.03459	26.2
134.99678	8.9
135.03053	4.4
137.02969	14.4
138.05524	11.8
143.01927	11.3
144.99803	5.9
145.01785	3.8
145.03484	19.0
146.99657	7.7
147.03159	8.7
148.02792	3.6
149.01204	31.3
149.02959	10.5
151.04468	8.2
155.01872	3.6
156.03615	44.8
156.05447	7.3
156.06520	10.7
156.53835	3.7
157.03479	13.4
158.99637	6.4
161.01199	6.7
161.02959	22.5
163.02719	5.1
163.04146	6.4
167.02232	9.1
167.54443	4.2
169.04439	4.1
171.01364	4.0
171.05087	5.2
172.04652	3.3
172.99239	5.0
173.01335	6.1
173.03038	10.0
174.04376	4.7
175.02992	5.6
175.04530	22.8
177.00710	9.4
177.02330	5.1
178.04878	23.0
179.02457	3.7
179.03915	4.3
184.04671	6.4
185.02986	6.4
186.04524	7.4
186.06136	15.0
187.00809	5.1
187.04553	3.7
191.02281	9.6
193.00220	3.5
193.03865	7.7
199.00882	12.8
201.00682	4.5
201.02412	5.5
201.06129	6.9
202.05644	10.0
203.02312	5.4
203.04059	10.6
204.05453	7.8
204.07178	79.3
205.00232	4.4
207.01813	5.0
212.05289	5.5
213.03401	6.0
215.00365	6.5
216.07809	10.4
217.01912	11.1
217.05611	7.3
219.01805	7.2
219.07132	3.7
220.04852	5.9
220.06815	9.2
221.05035	4.7
222.06049	5.8
222.08229	70.4
228.05794	11.8
229.01936	7.6
230.08722	4.3
231.03592	3.9
237.03056	7.2
237.06186	14.7
237.08243	18.8
237.56210	3.7
238.06009	5.7
240.07234	12.4
242.08763	5.9
245.01398	19.8
245.09792	4.1
246.08318	12.3
253.07767	4.9
258.08319	28.2
259.03012	13.1
260.09848	11.0
269.05743	5.6
270.08389	3.9
276.09296	85.2
277.04266	7.5
277.07687	15.0
278.10904	4.4
287.02560	7.1
293.05539	9.1
294.10199	4.9
295.08728	42.0
296.08945	4.4
311.06497	6.0
318.10483	15.1
321.10309	4.8
336.11798	4.0
337.09274	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	318.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	1.5
69.03419	2.7
69.89265	6.6
70.61626	1.1
80.66945	1.2
81.03403	2.0
81.46527	1.0
82.06122	1.9
82.06579	35.0
84.08149	5.5
85.02904	3.2
86.71329	1.1
89.21558	1.3
97.02895	2.8
98.97578	1.2
100.07613	100.0
101.00896	1.3
109.02879	1.4
119.01930	5.4
120.48856	1.3
127.03918	1.7
133.03467	3.2
137.02936	1.5
140.05585	1.6
141.80409	1.1
143.01894	1.3
147.03040	1.2
156.03584	2.9
157.03502	4.0
161.02957	4.1
167.02087	1.2
168.05067	2.1
175.04489	2.0
184.04581	4.3
186.06085	15.9
190.05707	1.6
196.08261	2.0
202.05602	19.8
204.07178	90.8
205.07359	4.0
208.06708	2.6
220.06708	10.2
222.08217	65.2
227.08940	1.5
228.07339	6.8
230.08807	2.5
237.06052	1.7
240.07152	7.6
242.08789	6.6
246.08211	7.6
248.09782	3.3
253.07536	1.4
258.08246	23.8
260.09760	12.6
264.09152	1.4
270.08249	2.7
276.09296	72.2
277.07462	2.2
278.10782	3.1
288.09280	2.3
294.10294	6.0
295.08795	10.4
299.10764	2.6
300.09207	1.7
318.10254	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	317.2473
Annotation	Cannabigerol
Peak:m/z	Relative Intensity
50.25866	0.9
53.03951	1.7
55.01856	1.1
55.05262	1.8
55.05508	21.5
57.03421	1.6
57.07079	7.0
58.84146	0.9
65.03925	1.1
67.05504	26.5
67.10596	1.0
69.03419	3.9
69.07069	34.6
71.04989	1.8
71.08627	2.5
71.12274	1.3
79.05497	17.0
81.07057	30.6
83.04958	2.1
83.08616	11.0
84.47744	1.0
85.06541	2.2
91.05480	29.0
93.06471	2.2
93.07044	36.2
93.27598	1.0
95.04920	5.0
95.08606	17.6
97.06525	3.0
97.10196	2.1
98.21531	2.1
103.05441	1.4
105.07032	53.0
106.07346	1.2
107.04950	2.7
107.08594	27.9
109.06522	11.7
109.10149	5.1
111.08068	2.1
117.07004	10.9
119.08580	52.0
121.06510	31.3
121.10172	9.7
123.08051	4.1
123.11691	3.4
129.07008	1.8
130.07814	1.2
131.08588	14.6
132.09341	1.2
133.10127	24.9
135.08046	20.5
135.11700	9.8
137.09717	1.5
138.85362	1.0
142.68921	1.1
143.08540	1.3
145.10112	11.5
147.08044	2.8
147.11681	12.8
149.09628	4.3
149.13269	3.8
151.11191	1.1
159.11737	8.4
161.09627	2.6
161.13254	19.2
163.11168	15.6
163.14821	3.3
165.05550	2.0
165.12756	6.1
173.13217	4.4
175.11200	1.5
175.14839	8.0
175.31401	1.3
177.12743	21.1
179.14253	1.4
185.13228	1.7
187.14793	2.4
189.16365	6.7
191.14291	3.4
201.16473	1.3
205.15868	2.5
215.17963	1.8
219.17462	1.5
225.16576	1.3
233.19072	2.4
261.18546	2.9
271.24222	4.2
275.20099	3.5
289.25281	18.9
297.06689	1.1
299.23764	4.7
317.06436	1.1
317.24759	100.0
318.25156	3.6
336.64685	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2112
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03933	8.8
55.05497	29.3
57.07054	16.9
60.04521	12.2
67.05504	67.3
69.03402	8.3
69.07059	35.2
70.06590	21.0
71.04987	10.9
79.05486	42.4
81.07050	60.1
83.04967	17.1
83.08617	9.2
85.06525	11.3
86.65274	8.0
88.07619	30.0
91.05478	45.9
93.07045	66.1
95.04975	13.3
95.08606	83.7
97.02922	7.7
97.06532	16.5
97.10122	8.8
105.07030	80.0
107.08591	79.9
109.06496	19.8
109.10139	70.6
111.04438	30.7
111.08049	10.5
112.70474	8.2
117.06996	17.9
119.08577	93.2
121.06482	14.1
121.10134	46.4
123.08088	17.9
123.11694	16.9
128.06204	7.6
129.07034	15.1
131.08549	17.9
133.10112	73.3
135.08034	22.5
135.11682	24.1
135.13077	7.1
137.09630	43.0
139.07454	7.7
142.07768	10.7
143.08592	17.4
143.61844	6.6
145.10103	33.9
147.11678	47.6
149.13176	10.0
151.11218	35.0
152.48990	7.8
155.00993	10.7
157.10153	16.4
159.08127	10.3
159.11673	31.0
161.09517	10.3
161.13263	29.1
163.11201	13.0
163.14809	29.3
171.11610	17.3
173.09625	13.2
173.13315	10.0
175.14862	12.3
177.12657	7.9
183.11670	17.6
185.13266	8.4
187.11234	13.0
187.14766	14.0
189.16377	12.3
191.03302	8.4
197.13269	7.9
199.14821	16.3
201.12810	9.1
205.12221	14.6
215.14302	8.6
215.17967	15.8
225.12836	7.4
229.12184	12.9
243.13756	8.3
248.29085	8.3
252.96162	7.9
253.19545	11.9
256.26285	10.0
257.18896	15.6
262.88626	7.7
275.20013	23.4
299.20053	69.3
317.21048	100.0
317.24744	25.4
317.32553	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.211
Annotation	Topsentolide A1
Peak:m/z	Relative Intensity
55.01846	3.0
55.05507	17.9
57.07075	12.6
59.04988	7.8
60.04522	18.8
61.27839	2.5
65.03935	3.2
66.37991	2.4
67.05506	72.8
69.03411	5.3
69.07057	8.5
69.29327	12.7
69.29754	16.1
70.06580	12.0
70.56909	2.8
71.04977	4.9
71.08628	3.6
71.21031	2.6
76.47708	2.7
78.81117	2.4
79.05474	9.4
81.03372	2.5
81.07052	30.8
87.04465	6.6
88.07610	11.6
91.05487	20.9
93.07042	23.5
94.04166	3.9
95.04966	33.5
95.08601	26.2
97.06493	7.2
98.21452	5.5
102.09155	6.2
105.07035	17.9
107.04945	3.9
107.08595	47.4
109.06523	18.2
109.10154	100.0
117.07014	8.0
119.08578	61.5
119.09451	2.9
121.06458	5.7
121.10118	6.4
122.03620	3.0
123.07493	2.2
123.08095	22.5
125.05927	4.1
126.89355	2.6
131.08505	6.6
133.06480	4.6
133.10135	13.1
135.08043	10.3
137.05988	25.8
137.09615	87.4
138.09929	2.9
143.08551	3.0
145.10097	7.5
147.08044	5.3
147.11754	3.9
149.09576	5.2
151.07539	53.2
153.05478	8.4
156.09375	4.8
157.10031	3.9
159.08098	3.2
159.11705	4.8
161.09616	6.9
163.11168	5.7
165.09105	6.5
167.07047	2.9
171.11664	5.3
177.09134	4.9
181.08629	6.0
181.12256	3.4
183.11597	3.5
189.12769	19.6
197.13234	4.8
199.11276	3.7
207.13850	15.9
213.12860	3.2
215.14333	3.7
237.14763	6.3
243.13838	7.2
256.26367	27.4
261.14795	6.7
273.31799	2.7
281.26474	4.0
299.19965	9.1
317.21115	60.1
317.24701	5.5
317.28769	12.2
318.21640	3.6
318.30026	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	317.211
Annotation	Topsentolide A1
Peak:m/z	Relative Intensity
53.03930	3.0
55.01861	5.7
55.05512	20.5
57.07080	16.0
58.06585	3.1
58.67781	2.5
59.05003	7.2
60.04262	4.5
60.04526	57.5
61.04837	7.5
62.03601	2.5
63.72389	2.7
65.03940	4.3
67.05172	3.8
67.05507	65.9
69.03416	7.7
69.07049	11.9
70.06586	23.2
70.63679	5.6
70.64039	6.5
71.04993	2.9
71.08614	6.4
79.05502	15.5
81.07055	49.7
83.04961	5.0
83.08589	5.9
87.04444	8.7
88.07633	26.0
91.05472	25.1
93.07046	29.7
95.04973	33.4
95.08611	28.0
97.06542	7.0
101.59594	3.2
102.09189	20.7
105.07026	23.8
107.08593	50.0
108.05644	2.9
109.06506	24.1
109.10150	97.0
110.10461	6.3
115.62097	2.8
117.06990	8.5
119.08577	66.3
121.06479	8.7
121.10143	12.7
122.07269	4.3
123.08067	31.3
131.08559	9.7
133.06491	7.6
133.10120	9.6
135.08073	16.2
137.06024	5.1
137.09616	78.4
139.07474	4.6
143.08527	4.1
145.10133	12.6
147.08025	5.3
147.11700	6.3
149.09650	7.5
151.06429	5.2
151.07552	69.4
153.05495	5.5
153.09001	3.6
155.08493	4.9
157.10115	4.3
159.11693	6.7
161.09589	10.6
163.07498	3.6
163.11183	8.1
165.09079	3.4
171.11694	7.7
173.09653	6.7
173.13272	6.7
175.11209	3.6
177.09096	3.4
177.12856	3.4
181.08640	6.9
189.12779	29.9
199.11034	3.5
201.12672	3.3
203.14380	4.0
207.13774	27.1
215.14282	3.7
221.15363	6.3
225.12720	3.4
237.14798	7.6
243.13731	9.6
256.26370	45.8
257.26709	4.5
261.15094	3.8
281.18887	3.5
281.26660	7.1
299.16904	3.1
299.19962	14.2
299.27533	9.1
300.28998	3.3
317.21045	67.3
317.28812	31.7
318.21533	3.5
318.30008	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.211
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
51.28122	1.3
55.01862	1.6
55.05511	9.6
57.07074	10.8
58.06600	1.5
59.04990	3.5
63.72882	1.6
65.03934	2.6
67.05507	35.4
69.03426	5.1
69.07056	4.3
69.35777	1.7
69.36086	16.2
70.06590	16.1
71.04986	2.3
71.08636	3.4
78.67851	1.6
79.05492	6.3
81.07051	16.2
83.04980	3.0
83.08611	3.5
85.06536	2.3
88.07623	19.0
88.72726	1.5
91.05468	12.5
93.07028	9.1
95.04974	15.4
95.08592	12.6
97.06524	4.5
102.09187	13.0
105.07018	12.9
107.04941	2.3
107.08592	27.3
109.06519	14.8
109.10155	53.6
112.50167	1.5
117.07019	2.4
119.08572	34.0
121.06527	5.3
121.10144	7.1
123.08068	21.9
131.08551	2.4
133.06453	2.6
133.10127	6.3
135.08049	8.6
135.11674	2.3
137.05974	2.9
137.09604	42.2
143.08557	3.4
145.10146	6.6
147.08064	2.9
147.11667	3.3
149.09584	4.7
151.07535	36.3
151.08672	2.9
153.05490	3.5
156.09378	2.0
157.10115	2.1
159.08034	2.5
159.11688	4.6
161.09619	6.7
165.09099	5.2
167.06911	1.9
169.10017	1.8
171.11745	4.1
173.09593	2.7
173.13298	3.5
177.09090	1.7
181.08604	3.1
181.12155	1.7
189.12762	20.8
192.11394	1.8
199.11234	3.5
203.14244	2.4
207.13776	18.7
213.12439	1.5
215.14233	2.7
221.15276	3.0
223.14758	2.4
233.15173	1.6
237.14740	5.2
243.13805	7.7
256.26337	40.0
262.14401	4.5
281.18918	2.0
299.19977	4.5
300.29004	2.5
317.09320	3.6
317.21103	37.5
318.30014	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.2
55.01854	3.7
55.05478	0.9
65.03904	1.5
67.05487	2.7
68.99786	6.7
69.03417	2.9
69.07040	1.3
69.38332	2.0
69.38750	7.8
77.03926	1.2
78.04721	0.9
79.05490	14.3
81.03387	1.3
81.07034	3.3
91.05473	9.3
93.03388	1.4
93.07034	7.8
94.04167	1.1
95.04974	9.0
95.08595	5.8
95.28297	0.8
97.02876	1.8
97.06538	0.9
98.20788	2.1
103.05467	10.2
105.06382	1.6
105.07027	18.6
106.04160	2.2
107.04949	100.0
107.08572	3.9
109.06512	2.9
109.10149	1.4
111.04462	1.0
115.05437	6.9
117.07007	5.5
118.04161	5.3
119.04926	3.2
119.08575	2.0
120.05667	1.1
121.02863	2.2
121.06518	13.7
122.03692	1.3
122.06812	5.8
123.04427	11.1
124.05197	2.5
125.02319	1.3
125.05976	3.3
128.06302	1.0
131.04895	3.1
132.05690	2.2
133.06490	32.3
134.03578	2.2
135.04420	6.0
135.08047	45.8
137.02376	1.3
137.05966	29.7
137.96512	0.9
139.03854	3.8
139.07541	2.1
141.05432	1.0
141.06931	1.1
143.04860	1.0
145.06465	4.1
145.10152	1.2
146.03583	1.0
147.04388	9.7
147.08015	3.8
148.05186	54.4
149.02295	2.3
149.05962	2.1
149.09602	1.0
150.03091	2.8
151.03885	3.3
151.07516	2.7
152.04678	3.0
152.14346	3.3
153.01822	10.0
153.05446	3.4
153.14645	3.4
159.08066	1.2
159.11768	1.3
160.05136	1.5
161.05981	28.6
162.06709	1.9
163.03899	31.5
163.07532	94.3
164.08087	1.4
165.05489	4.0
165.06898	1.6
165.09093	3.3
167.07043	20.9
169.06442	1.3
171.04471	1.3
173.05966	1.1
174.06783	1.2
175.03807	1.0
175.07565	2.7
177.05475	1.9
177.09125	2.2
178.06247	80.1
179.06972	2.2
181.08594	3.6
182.07323	1.8
183.08064	1.4
185.05957	2.1
187.07507	0.8
193.04970	2.2
193.08589	38.2
194.07181	1.0
195.08105	1.0
196.05217	1.1
197.05965	3.2
199.07567	1.7
201.05522	1.2
203.03369	2.1
203.06990	1.0
207.06702	1.1
207.10159	2.5
210.06734	3.1
211.07497	2.5
212.09424	1.6
213.05473	1.8
215.06940	1.4
217.04941	2.6
225.05457	1.0
225.09074	3.1
226.06168	1.5
227.06960	3.0
228.04213	2.5
229.04999	4.7
229.08539	2.8
233.08034	3.4
237.05400	1.1
239.07007	1.5
241.05000	1.3
243.06516	2.1
245.04523	2.0
253.08609	4.7
255.06537	3.3
255.11208	5.9
257.04453	3.8
257.08127	1.3
257.11890	1.1
259.09689	7.1
266.05701	1.9
267.06552	3.7
270.08762	4.2
271.06015	2.5
271.09714	1.4
271.16547	1.0
272.19995	1.6
273.03888	1.8
273.20370	15.5
274.04700	21.7
275.04959	1.0
284.06882	1.9
285.03995	2.1
285.11176	2.1
287.09103	5.5
299.09119	16.8
301.06039	1.3
302.04205	27.5
317.06537	78.8
317.09842	6.6
317.13907	6.5
317.23096	15.1
318.06912	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	317.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08666	1.0
53.03945	2.3
55.01882	2.4
55.05511	1.2
57.03411	1.1
59.04302	1.0
65.03923	2.0
67.05517	2.4
68.59384	1.1
68.99790	5.1
69.03422	1.9
70.15010	2.2
70.15380	4.7
79.05490	12.2
81.07065	3.9
91.05488	8.4
93.07054	5.4
94.07400	1.7
95.04976	10.5
95.08584	3.1
97.02872	3.2
97.06506	1.2
100.30085	1.1
103.05474	13.8
105.07030	18.6
106.04166	1.5
107.04952	100.0
107.08582	3.8
109.06487	2.5
115.05449	5.0
117.07017	4.1
118.04153	5.7
119.04949	2.7
120.05730	1.1
121.06504	25.9
121.10068	1.2
121.72824	1.1
122.03670	1.3
122.06846	13.7
123.04425	9.0
124.05213	2.0
125.05984	3.3
126.80406	1.0
131.04893	3.4
131.08595	1.2
132.05737	2.0
133.06490	35.4
134.03665	1.9
135.04442	10.2
135.08052	41.6
137.02419	1.3
137.05981	28.3
138.05544	1.8
139.03876	1.8
139.07600	2.2
144.08093	1.1
145.06467	5.8
147.04395	10.4
147.08073	2.2
148.05191	48.6
149.06004	2.4
150.19807	1.0
151.03889	2.0
151.07556	2.1
152.04665	2.9
152.14330	6.9
153.01840	8.0
153.05537	2.6
153.14685	7.2
155.06107	1.3
155.70866	1.1
159.07991	1.2
161.05977	28.2
162.06746	3.3
163.02548	2.2
163.03906	37.0
163.07544	93.7
164.04659	1.5
165.05489	2.9
165.09085	2.3
167.07040	20.7
175.07512	1.9
177.09166	1.9
178.06248	78.2
179.07076	1.3
181.06477	1.7
181.08607	2.5
193.08609	35.2
193.10294	2.4
200.10733	1.5
201.05434	1.3
207.10226	1.9
210.06619	1.5
211.07536	2.5
216.13562	1.1
216.63066	1.2
217.04939	1.6
217.53787	1.1
218.11769	5.2
219.12102	1.2
225.09100	3.0
227.07031	2.2
228.10181	2.6
229.05020	2.9
229.08557	1.8
233.08211	2.0
242.09332	1.7
245.04659	1.8
246.11308	2.7
253.08647	5.1
255.06506	1.4
257.08060	1.4
269.04510	1.5
270.08832	2.6
271.06076	1.3
272.20126	4.3
273.03870	1.5
273.20425	28.1
274.04749	3.7
285.03918	1.5
285.11209	5.2
289.11456	2.0
299.09146	6.3
302.04181	7.5
302.11426	1.3
317.06638	32.9
317.10614	5.6
317.14554	5.5
317.23083	31.6
318.06946	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.2
55.01868	3.3
55.05521	2.4
57.07102	2.3
65.03948	2.6
67.05508	5.0
68.99779	8.2
69.03425	3.5
71.59165	2.6
77.03938	2.4
78.04690	1.9
79.05492	15.5
81.07038	6.1
85.02886	2.3
91.05495	9.3
93.07032	7.1
95.04977	12.0
95.08594	8.5
97.02898	3.9
97.06519	2.0
103.04889	2.0
103.05450	9.7
105.07036	24.3
107.04951	100.0
107.08575	6.2
109.06500	3.4
115.05444	5.0
117.07021	5.6
118.04179	4.2
119.04947	4.0
119.08547	3.6
120.05769	2.5
120.08076	2.3
121.06497	19.8
121.10137	3.1
122.03636	2.1
122.06818	9.7
123.04433	15.4
123.08108	2.4
125.05975	3.9
131.04918	4.6
131.08565	2.7
132.05695	2.2
133.06496	40.2
133.10161	2.4
135.04404	7.8
135.08060	47.2
137.05972	31.4
139.03885	5.0
141.06999	2.4
143.08635	2.2
145.06474	6.1
145.10178	2.4
146.03545	2.3
147.04373	12.0
147.08060	4.7
148.05190	50.1
149.02521	2.0
149.05833	2.0
149.09528	2.4
150.03157	2.3
151.03909	4.0
151.07507	3.6
152.04729	3.6
152.14308	3.4
153.01802	7.4
153.05452	4.1
153.14738	4.8
157.06606	2.0
161.05980	33.7
161.13110	1.9
162.06720	2.5
163.03915	29.1
163.07538	91.5
165.05458	4.2
165.09064	3.2
167.07037	20.3
169.06444	2.2
171.11548	2.3
175.07573	2.9
177.09081	3.9
178.06250	79.2
179.03403	1.9
179.07077	2.6
181.06496	2.2
181.08569	4.2
185.06027	2.6
193.08620	38.0
197.06015	5.0
197.09741	2.7
201.05464	2.3
201.12692	2.0
203.03549	2.1
210.06786	3.1
212.09447	3.6
213.05486	2.5
215.07027	3.0
217.04958	2.2
217.12251	1.8
225.09113	4.2
227.06955	4.8
227.11674	2.1
228.04044	3.3
229.04938	4.7
229.08490	2.7
233.08134	4.6
243.09995	2.0
251.44359	2.1
253.08678	4.4
255.06516	2.2
255.11359	6.6
257.04523	2.2
257.11807	2.0
259.09485	2.8
267.06604	4.4
270.08752	3.3
271.06293	1.8
271.09479	3.0
272.19965	3.7
273.20398	18.0
274.04733	23.6
283.05896	2.4
284.06808	2.4
285.03995	2.5
285.11292	4.5
287.09192	2.3
299.09064	26.0
302.04178	28.4
307.06714	2.0
317.02835	4.4
317.06528	83.9
317.10028	6.1
317.13882	7.7
317.23181	22.3
318.06772	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1383
Annotation	Erycibenin E
Peak:m/z	Relative Intensity
51.02384	1.2
53.03936	1.6
55.01861	2.7
56.92421	0.8
59.72644	1.0
65.03939	1.6
67.05487	2.4
68.02538	0.8
68.99783	3.3
69.82071	2.1
69.82494	3.1
77.06200	0.8
78.04710	0.8
79.05495	11.0
81.07032	1.6
88.13931	0.9
88.97639	0.9
91.05476	5.5
93.07067	1.0
95.04953	6.0
95.08599	3.8
98.20805	1.6
103.05472	10.2
105.03364	1.1
105.07030	18.6
106.04169	1.1
107.04956	90.5
107.08605	2.3
108.05284	0.9
109.06494	1.4
110.03654	0.9
115.05470	5.3
117.07049	5.6
118.04121	4.4
119.04936	2.4
119.08604	1.0
120.05725	1.3
121.06526	3.9
123.04427	5.3
124.05198	1.2
125.05969	2.3
131.04912	2.0
132.05739	1.5
133.06502	32.5
134.03613	1.4
135.04396	2.4
135.08060	39.2
137.05974	24.7
139.07567	0.8
145.06471	5.1
146.03635	1.0
147.04410	10.4
147.08052	3.1
148.05196	54.7
149.05956	1.8
150.06746	1.0
151.07553	1.6
152.04698	3.0
153.05479	2.7
161.05991	29.2
162.06760	1.9
163.02538	1.9
163.03914	31.9
163.07545	100.0
164.08083	2.4
165.09131	3.2
167.07048	16.9
175.07523	2.4
177.05530	1.4
177.09128	2.7
178.06258	79.1
179.06746	1.1
181.08598	3.2
182.07335	1.2
193.08617	35.1
207.10201	2.5
210.06715	1.2
215.03746	0.8
225.09090	3.6
253.08592	4.5
255.06587	1.9
270.08810	3.8
285.11169	3.7
302.11420	1.0
317.13800	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	317.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.01861	3.0
58.09619	1.0
65.03929	2.5
67.05490	2.1
68.99781	4.9
69.03428	1.0
69.94677	1.7
69.95084	4.1
78.04704	1.8
79.05071	1.1
79.05495	12.9
81.07069	1.8
83.09729	1.0
85.02927	1.2
91.05473	7.5
92.02612	3.3
92.66174	1.1
93.03394	3.5
93.07035	5.6
95.04961	9.0
95.08598	3.8
97.02892	1.9
103.05462	10.1
105.03402	1.0
105.07026	21.0
106.04156	1.7
107.04953	100.0
107.08592	3.1
115.05431	6.5
117.07001	5.9
118.04158	6.1
119.04927	1.4
120.05707	2.7
121.02853	2.2
121.06497	16.3
122.06810	9.0
123.04420	8.2
124.05195	1.9
125.05984	2.9
131.04904	2.9
132.05705	1.8
133.06490	37.0
134.03600	1.3
135.04453	7.8
135.08051	43.2
137.02328	1.5
137.05980	24.9
139.03874	2.2
139.07509	1.6
145.06433	4.5
146.03629	1.6
147.04388	11.7
147.08047	2.6
148.05190	53.5
149.05908	2.1
150.06866	1.3
151.03911	2.4
151.07549	2.7
152.04674	2.3
152.14326	4.9
153.01830	19.7
153.05464	3.3
153.14697	4.1
154.02063	1.0
161.05986	30.4
162.06813	1.7
163.03908	34.4
163.07542	90.2
164.08098	1.5
165.05470	3.2
165.09149	3.1
167.07033	16.9
170.02452	1.0
175.07591	1.6
177.05510	2.0
177.09050	2.0
178.06248	84.5
179.06958	1.9
181.08546	2.3
182.07332	1.7
193.04938	1.2
193.06828	1.8
193.08617	34.5
197.09593	1.4
199.07593	1.4
201.05455	1.9
203.03357	1.2
207.10126	2.1
210.06775	1.5
217.04967	2.7
218.11768	1.5
225.09154	3.6
227.06898	2.6
228.04103	3.3
229.04953	6.5
229.08589	2.0
231.02896	1.1
233.08112	3.3
242.09346	1.2
245.04541	2.9
246.05162	2.1
253.08633	4.7
255.06467	2.2
257.04510	3.6
270.05936	1.0
270.08908	3.0
272.20163	2.1
272.62827	1.1
273.03937	2.8
273.20480	19.4
274.04709	8.8
285.03986	6.3
285.11151	3.2
289.10931	1.4
299.09152	4.8
302.04230	16.8
317.06531	75.0
317.09561	4.1
317.13800	5.4
317.23071	19.8
318.06906	3.6
328.54111	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1383
Annotation	Erycibenin E
Peak:m/z	Relative Intensity
52.33166	0.7
53.03937	2.1
55.01863	2.1
64.76288	0.8
65.03934	1.3
67.05480	2.0
68.99788	4.8
69.56692	6.2
77.03916	1.5
79.05486	12.1
81.07055	3.4
91.05476	9.7
93.07011	2.7
95.04964	7.9
95.08591	3.7
103.05458	8.9
105.07020	16.2
106.04221	1.6
107.04955	100.0
107.08568	2.2
108.05279	1.4
111.04471	1.0
115.05443	3.8
117.07018	5.3
118.04157	4.8
119.04950	6.2
120.05731	1.0
121.06516	9.1
123.04422	10.3
124.05211	3.0
125.05977	2.6
131.04927	2.4
132.05669	1.7
133.02841	1.7
133.06493	28.7
134.03665	1.7
135.04416	39.6
135.08055	33.7
137.02344	4.8
137.05975	21.8
137.65074	0.9
138.03157	1.2
139.07510	1.8
140.04660	1.5
141.06963	1.0
145.06418	4.9
145.10078	1.1
146.03618	0.9
147.04428	14.0
147.08061	3.5
148.05194	41.1
149.05995	8.1
151.07507	2.1
152.04691	3.5
153.05508	4.0
153.06651	0.8
155.07112	1.7
161.04620	1.5
161.05977	23.4
162.06773	2.1
163.02538	1.9
163.03905	39.3
163.07541	72.5
165.09113	1.7
167.07042	16.5
169.06520	1.2
175.07620	1.3
175.60167	0.8
177.05551	1.3
177.09166	1.3
178.06250	56.6
179.07018	8.9
181.08560	2.8
182.07198	1.0
183.08022	1.0
191.07144	0.8
192.07835	1.4
193.08600	24.9
197.06036	2.7
197.09631	0.9
199.07529	0.9
207.06494	1.7
207.10175	2.8
211.07495	2.0
225.09114	2.8
227.06972	1.7
229.08638	4.2
239.07213	1.0
253.08691	2.0
255.06528	1.8
257.08054	2.3
257.11749	1.0
259.09698	1.1
266.72733	0.9
270.08865	2.0
285.11215	3.3
289.10669	6.7
299.09003	1.8
302.11618	0.9
317.10110	12.1
317.13858	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	317.1383
Annotation	2-(3,5-Dimethoxyphenyl)-3,4-dihydro-7-methoxy-2H-1-benzopyran-5-ol
Peak:m/z	Relative Intensity
50.71898	0.5
51.02378	0.8
51.06292	0.5
53.03942	1.3
55.01872	2.5
55.05531	0.6
62.01617	0.6
63.02407	0.9
65.03940	2.4
67.05502	2.4
68.99789	4.1
69.20560	0.5
69.82541	2.7
69.82953	1.0
78.04726	1.1
79.05051	1.0
79.05493	12.2
81.03432	0.9
81.07056	1.3
82.04214	1.2
90.04691	0.6
91.05497	6.4
93.07055	2.4
95.04974	7.2
95.08596	5.0
97.02914	0.7
98.20692	0.6
103.05469	10.4
105.03371	1.0
105.07029	16.6
106.04166	1.0
107.04955	84.0
107.08620	3.3
107.09191	0.6
109.06494	1.7
109.10125	0.9
110.03672	2.9
111.04408	0.9
115.05447	4.4
117.07001	4.3
118.04134	3.2
119.04947	1.5
119.08582	1.0
120.05723	1.2
121.02881	0.9
121.06487	3.7
121.10133	0.8
122.06032	0.7
122.06806	0.7
123.04412	5.6
124.05193	1.8
125.06013	4.5
127.03932	0.9
131.04950	2.1
132.05730	1.4
133.05475	1.5
133.06490	30.7
133.10129	0.8
134.03624	1.6
135.04466	2.9
135.08051	38.7
137.05977	23.6
138.03114	21.2
139.07579	1.3
141.11771	0.6
143.04987	0.7
145.06506	4.9
147.04419	10.9
147.08075	2.4
148.05194	48.0
149.05908	2.7
149.09618	0.8
149.13196	0.6
151.03955	0.8
151.07521	1.8
152.04684	2.5
153.05466	100.0
154.05835	1.7
155.06007	1.5
157.06506	0.7
161.05983	25.7
162.03127	1.3
162.06721	1.9
163.03918	26.1
163.07544	83.7
164.08151	1.2
165.05484	1.0
165.06967	0.7
165.09125	2.2
167.07034	15.9
169.06490	1.0
175.07579	1.5
177.05493	2.2
177.09132	1.9
178.06250	74.8
179.06918	1.2
181.08553	1.9
182.07237	1.1
183.08125	0.6
193.08609	31.0
199.07512	1.3
207.10172	2.8
210.06763	1.7
213.03871	0.9
223.90877	0.6
224.08136	0.7
225.05588	0.7
225.09151	3.1
227.07013	1.7
231.10136	0.8
239.06876	1.0
253.08662	3.1
255.06516	2.7
257.08066	0.9
270.08850	3.0
285.07697	1.5
285.11154	3.5
286.91867	0.8
299.09204	0.9
302.11566	0.9
317.06500	1.9
317.10034	1.8
317.13757	6.9
317.21411	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1383
Annotation	Pochonin F
Peak:m/z	Relative Intensity
51.02390	2.4
51.82580	1.9
53.03941	5.8
55.01860	7.5
56.96571	4.8
63.84221	1.6
65.03939	7.8
67.05504	21.5
69.03430	3.9
69.07062	12.2
70.72832	6.5
71.04985	1.8
79.05493	92.7
81.03418	60.5
81.07057	10.7
83.05008	2.6
83.58466	1.9
91.05480	47.4
93.03415	5.0
93.07046	38.3
95.01368	1.7
95.04974	36.7
95.08620	6.4
97.06538	4.3
97.51718	2.1
103.05497	7.5
105.07026	37.3
107.04952	45.4
107.08595	52.0
109.06518	5.8
115.05469	5.0
117.07063	12.3
119.04967	4.6
119.08570	19.5
121.02869	23.6
121.06506	39.0
123.04429	5.4
125.06028	2.5
127.03898	4.3
128.06229	6.5
129.07014	10.0
131.04912	6.6
131.08582	19.5
133.06476	8.4
133.10135	28.5
135.04381	10.4
135.08083	5.0
137.05974	6.7
139.03947	2.8
141.06996	9.0
142.07770	4.1
143.08565	25.6
144.05664	2.5
145.06487	13.9
145.10101	12.3
147.04390	10.4
147.08067	6.2
147.85194	1.7
148.05096	2.2
149.05989	13.2
151.07481	4.1
153.01823	31.1
153.05473	5.3
153.07007	3.8
155.08571	8.3
157.06505	3.3
157.10147	14.3
159.08058	26.9
159.11671	3.9
161.04620	4.2
161.05981	81.8
161.09618	100.0
163.03973	3.7
163.07547	3.3
165.05545	2.7
165.06989	3.9
166.07742	2.2
167.07170	3.4
167.08487	10.5
168.09344	2.2
168.12390	1.8
169.10117	4.4
171.08049	12.1
173.09618	6.8
175.07632	4.6
177.09131	3.2
178.06178	2.7
178.07716	2.9
179.08542	6.7
180.09341	2.6
181.10129	5.8
182.10878	2.4
183.08080	8.5
183.11703	5.2
185.06006	2.9
185.09555	9.5
187.07529	2.8
191.08574	2.3
192.09352	7.6
193.10162	4.3
195.08118	5.7
196.08772	2.2
197.09583	5.6
197.13261	5.6
199.07510	2.2
199.11278	4.2
203.10649	3.7
205.08568	4.7
207.11703	13.6
209.09653	5.2
209.13216	2.8
210.10411	4.5
211.11176	10.9
217.10294	2.7
220.08939	4.3
225.12758	22.0
227.14453	2.7
229.04805	2.8
229.08711	3.6
235.11165	23.1
237.09140	3.4
237.12660	12.7
253.12234	26.8
255.13847	4.7
271.05875	2.5
271.13300	53.4
281.11804	16.9
299.09381	2.7
299.12772	50.3
299.15945	4.1
317.06631	14.8
317.09995	5.2
317.13794	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	317.1383
Annotation	2'-O-Methylodoratol
Peak:m/z	Relative Intensity
51.37819	1.6
51.48979	1.6
53.03945	2.1
53.64044	1.9
55.01861	5.7
55.05500	5.4
56.96571	2.5
64.59214	2.0
65.03966	2.3
67.05505	22.7
68.05843	3.1
68.99780	8.1
69.03416	4.9
69.07066	3.6
71.59328	1.7
78.04707	2.4
79.05489	20.3
81.03425	3.7
81.07066	19.8
82.07372	2.3
83.04959	2.3
83.08583	2.7
85.06551	3.6
88.28825	1.8
91.05488	24.6
93.07057	21.8
95.04958	16.4
95.08602	23.5
96.08915	5.5
97.06512	2.1
103.05473	13.9
105.07024	23.3
107.04956	98.8
107.08592	14.8
109.06516	6.1
109.10154	10.7
110.10490	4.0
110.14557	2.2
115.05432	9.3
116.52663	2.2
117.07016	7.9
118.04171	6.0
119.04947	4.4
119.08624	11.2
120.05742	2.2
120.08913	3.9
121.06508	49.6
121.10156	5.8
122.06848	14.5
123.04427	21.4
123.08047	2.5
125.06026	4.1
131.04918	4.6
132.05743	3.8
133.06490	39.3
133.10133	7.2
133.39114	2.0
134.03625	3.4
135.04434	5.5
135.08055	48.4
135.11674	12.2
136.05177	2.9
136.42247	2.2
137.05997	28.9
137.09651	2.7
138.09071	2.9
139.03899	3.6
139.07520	3.0
145.06485	5.7
147.04385	10.9
147.08023	7.4
147.11743	2.7
148.05194	50.8
148.08827	2.4
148.14502	2.4
149.05983	43.3
149.09616	4.2
149.13261	2.5
151.03928	2.3
151.07538	13.8
152.04747	4.8
152.15121	3.9
153.01860	3.3
153.05431	12.7
157.10083	2.3
159.11662	2.7
161.05974	33.7
161.13248	2.1
163.03914	38.8
163.07539	100.0
163.14764	2.0
164.08209	2.7
165.05473	4.7
165.09120	7.2
166.06154	2.7
167.07022	23.3
168.07802	5.5
175.07556	4.5
176.08357	10.5
177.05443	11.5
177.09026	4.0
178.06252	85.8
179.06927	2.5
179.10629	6.1
181.08582	5.5
192.07808	19.8
193.08591	41.5
195.10152	3.4
199.07635	3.0
207.10155	28.8
208.10742	3.3
211.07552	3.1
213.03925	2.9
215.91203	2.2
225.09015	4.5
227.06903	3.4
229.05043	2.0
239.07083	2.7
253.08604	5.9
270.09045	5.9
274.04712	7.0
285.11172	8.1
299.09006	3.7
302.04089	7.8
302.11551	3.0
317.06448	18.8
317.09735	5.9
317.13635	9.6
317.22922	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	317.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15014	0.5
56.96569	0.6
68.27576	0.6
69.03429	4.5
69.07069	1.2
70.06586	0.6
70.83294	1.5
74.23982	0.5
74.38448	0.6
81.03402	0.8
84.08128	1.2
86.09689	0.8
91.05499	1.0
93.23419	0.5
99.94344	0.5
108.84520	0.5
116.65378	0.5
119.04939	1.8
120.70357	0.5
121.02842	1.1
123.04420	7.7
126.51852	0.6
129.10258	1.0
139.03897	2.0
140.93552	0.5
141.05452	1.1
144.07803	0.5
147.04419	2.7
153.01848	1.1
153.05464	1.4
153.35234	0.5
155.06822	1.2
161.05943	1.4
165.05466	15.6
177.05466	0.7
185.04240	1.2
207.06319	0.6
245.04320	0.6
290.11142	0.6
316.74142	0.6
317.12088	100.0
318.12405	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1228
Annotation	Taxicatin
Peak:m/z	Relative Intensity
53.03940	3.7
55.01863	3.8
55.05499	2.7
56.96550	5.4
57.03424	6.0
61.02914	6.1
65.03930	5.6
67.05491	7.1
68.05019	5.0
68.99791	2.6
69.03439	11.8
69.07056	9.8
70.06588	21.5
71.58314	3.8
71.90354	2.3
72.08167	3.1
77.03896	2.7
79.05496	4.7
81.03405	6.5
81.07050	4.3
84.08139	5.3
85.02892	8.7
86.06055	10.9
91.05499	13.2
95.04971	15.8
97.02876	3.8
99.04398	2.4
105.03380	3.0
105.73762	2.5
107.04955	7.4
109.06505	10.0
112.07604	2.7
116.98659	2.7
119.01939	3.3
119.04957	4.1
121.06482	3.5
123.04427	18.6
125.02382	6.1
125.05975	2.7
127.03931	4.6
130.06535	7.9
131.01982	2.5
132.04437	4.4
133.02856	6.8
135.04402	9.2
136.07578	5.4
137.05971	15.4
137.09642	2.9
139.03889	9.4
140.04689	74.5
146.05939	2.9
147.04413	5.1
151.03979	3.5
153.01826	4.6
153.05452	4.3
155.07022	69.7
158.05995	3.9
161.02974	4.7
161.05894	2.8
164.07039	2.7
165.05444	13.7
167.07098	3.3
171.06522	4.0
173.08118	7.1
179.07037	6.6
180.04146	6.7
181.04961	42.3
183.02922	2.8
193.04944	14.1
195.06519	3.5
197.08113	8.2
203.05309	7.6
203.44318	2.5
207.06516	15.1
224.09325	2.4
225.07623	12.6
243.08589	15.0
258.08813	2.7
271.11435	3.5
287.10220	4.9
299.06122	2.6
299.10248	8.8
300.09796	5.4
317.06638	6.3
317.12067	100.0
335.18491	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	2.5
64.12457	0.9
67.05492	1.9
69.03419	4.5
69.07055	1.9
70.06599	8.3
72.08108	1.6
79.05487	1.8
81.03413	2.9
81.07059	1.6
83.04984	1.2
84.04506	1.6
84.08133	2.0
85.02892	4.8
85.06534	1.1
86.06074	1.8
86.09695	2.1
89.54843	1.0
91.05460	2.7
93.07036	1.9
95.04944	1.0
95.08609	1.4
97.02902	1.3
97.06516	1.0
98.97552	2.5
107.04951	2.0
108.05372	1.0
109.06530	1.1
111.04427	1.5
116.98615	2.1
118.05513	1.0
119.01892	1.2
119.04965	1.1
123.04423	2.9
127.03870	1.1
134.99672	1.7
137.05954	2.2
138.05586	1.6
139.03905	3.8
140.04684	3.8
140.06967	1.1
147.04405	1.5
149.05986	1.5
151.03899	2.1
151.07449	1.4
153.01894	2.2
153.05418	1.2
155.02296	1.4
155.06856	9.5
157.07617	1.4
158.05975	1.2
165.05470	2.8
179.03375	1.0
181.04912	1.8
185.04253	3.6
188.55013	1.6
189.05316	1.1
193.05080	1.3
203.05272	9.6
213.06406	1.2
215.07750	2.2
219.01949	1.5
221.09258	1.1
225.07059	1.0
237.02930	1.4
257.09094	1.3
271.11038	1.8
277.83539	1.1
287.10199	5.7
299.10318	7.9
317.06213	2.9
317.12042	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30634	6.8
50.69534	6.8
56.05037	9.2
56.96565	31.7
57.03452	9.2
57.71549	7.2
60.44418	6.6
61.83558	8.0
69.03433	15.9
69.07069	9.2
69.26713	36.3
69.27134	54.8
70.06596	18.3
72.08147	35.9
75.05581	28.6
75.81913	8.7
77.00932	8.5
81.03413	17.8
82.06577	30.4
82.15702	7.0
83.06112	10.7
84.04498	29.1
84.08138	100.0
85.02899	26.3
86.09704	56.8
87.14376	7.6
97.02882	14.4
100.07623	90.2
101.00865	17.2
101.07996	9.6
103.02464	14.9
109.02882	14.4
115.02393	9.0
116.98602	7.5
117.03950	10.9
118.03558	17.7
119.01911	92.8
121.03482	24.6
129.10245	53.7
129.59361	8.3
130.08707	10.5
131.01913	31.9
133.03487	19.2
135.05016	10.0
136.04584	13.1
137.02974	26.0
137.92230	7.9
139.03897	11.0
143.01932	9.7
143.11836	8.6
144.99825	10.7
145.03499	48.0
147.01402	31.7
147.06212	7.9
147.11314	11.3
149.02960	18.3
153.01862	11.3
154.94241	9.5
155.01985	25.8
157.03535	21.7
160.04686	11.1
161.02966	41.7
163.04541	22.7
165.02521	9.1
165.05452	8.9
169.03519	12.2
172.95270	22.3
173.02946	39.6
175.04549	31.1
184.04581	11.2
184.21126	7.8
185.02980	18.6
185.06677	12.3
189.02446	27.0
189.05972	12.3
190.96335	19.9
196.04533	8.5
200.13895	17.0
200.98344	17.5
201.06042	12.5
203.04005	14.1
204.07217	11.1
205.07196	13.6
207.03481	57.4
214.96259	12.8
214.99937	10.6
215.04083	10.4
215.07637	14.5
220.04883	18.8
221.05058	16.8
222.08313	9.9
223.08369	10.2
238.06007	8.2
241.07111	9.9
249.08139	9.7
257.01367	46.1
257.06833	11.6
275.02579	11.2
277.07620	13.8
295.08780	26.3
295.85648	10.8
303.07382	16.9
317.03107	22.0
317.07425	15.5
335.04327	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
62.85062	0.4
67.05489	1.5
69.03416	2.2
69.07071	3.4
70.06604	0.7
71.04964	0.7
71.58240	0.9
81.03403	1.2
81.07072	0.8
85.02882	0.7
85.06512	0.9
91.05481	0.6
95.01381	0.7
95.04987	0.8
97.02886	0.7
107.04974	0.7
109.02844	0.8
115.75865	0.6
121.06599	0.6
121.10171	0.5
122.05984	0.7
123.04417	2.1
137.05925	0.6
138.05537	0.7
139.03906	1.3
143.08554	0.6
145.10075	0.8
147.04483	0.8
153.01830	1.5
155.02287	1.0
155.06854	1.3
156.06529	0.7
156.10210	1.4
160.25032	0.6
165.05498	2.4
185.04175	0.8
198.07925	0.7
243.11258	0.8
255.06514	0.8
257.09323	0.8
271.11142	0.7
275.09659	0.7
299.10217	1.5
304.18433	0.5
317.12079	100.0
317.15396	5.2
318.12283	1.9
321.79263	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.102
Annotation	Mucroquinone
Peak:m/z	Relative Intensity
50.42738	0.6
56.96556	0.8
63.02610	0.6
65.03933	1.4
67.05491	1.3
69.92600	2.8
70.10474	0.5
74.94661	0.6
79.05495	3.1
81.07034	1.6
82.04156	0.6
91.05456	0.9
95.04972	1.4
95.08590	1.2
97.02912	0.6
105.07007	1.2
107.04933	1.9
107.08624	0.7
110.03649	1.8
116.98642	0.8
122.11586	0.7
125.05989	2.2
137.05948	0.8
138.03119	20.5
139.03659	0.7
153.05464	100.0
154.05733	1.4
161.09608	0.6
162.03154	0.8
163.03854	0.7
163.07565	0.8
165.05475	0.7
169.06543	0.7
177.05508	1.7
191.36310	0.7
225.05652	1.1
253.05023	0.9
285.03986	1.6
285.07651	2.3
299.09442	0.8
317.06616	0.8
317.09995	1.9
317.21753	1.7
331.36334	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	12.1
61.02927	17.1
69.03427	20.9
70.06589	26.8
71.54943	21.2
72.08159	34.4
73.02898	10.7
75.05602	32.4
75.07903	10.8
79.48873	9.9
81.03414	25.7
84.04503	23.2
84.08134	100.0
85.02911	41.5
86.09711	52.4
87.05596	10.3
95.17527	8.9
97.02882	14.4
99.48388	9.8
100.07599	14.9
101.07017	10.6
104.88844	8.8
109.02845	14.3
118.55161	11.0
119.01929	97.1
121.03465	12.1
124.27924	10.0
127.03957	14.9
129.10229	67.9
131.01930	49.6
132.10236	12.8
133.03458	23.6
137.02966	20.7
143.11790	20.6
145.03499	33.7
147.01425	13.3
147.05051	16.3
149.02943	27.6
155.01875	37.7
157.03508	17.3
161.02942	43.3
163.04459	13.1
163.34720	9.8
171.04974	14.0
173.02942	70.3
175.04523	11.6
176.98250	12.9
185.02939	20.9
187.04489	14.4
189.02475	12.7
189.06108	14.6
200.98372	17.2
201.05997	11.7
203.04056	25.2
207.03484	19.2
215.07623	27.0
221.05083	18.2
222.66861	11.6
257.01352	17.2
257.05225	16.4
257.08438	10.9
291.09222	18.0
291.16956	10.9
299.06277	10.5
299.17224	15.0
317.07401	44.8
317.21884	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	317.102
Annotation	Cajanol
Peak:m/z	Relative Intensity
55.01860	2.8
56.10477	1.0
56.96575	6.8
59.80431	1.1
65.03941	14.4
67.05507	1.4
68.99779	1.3
69.26060	6.0
69.26483	5.7
77.03969	1.0
79.05502	1.8
81.03439	1.1
81.07040	3.0
83.04967	1.1
89.03896	1.2
91.05477	19.7
93.03417	7.4
93.07024	2.2
94.04209	2.7
95.04949	2.0
95.08602	1.8
96.02081	3.1
98.20793	2.3
98.81927	1.0
103.05476	1.3
105.03374	1.6
105.07041	1.6
107.04947	3.8
107.08585	1.7
110.02553	1.2
110.03648	3.8
111.04437	54.0
119.04937	11.9
121.06524	1.7
122.03643	6.0
123.04388	1.7
125.05995	31.1
133.02852	49.4
135.04384	5.6
137.05975	78.5
138.06339	1.9
139.03903	24.3
140.14307	4.1
149.05994	4.6
150.06757	9.8
151.03870	3.7
151.07555	7.6
152.01021	3.3
153.01987	1.4
153.05472	35.8
163.03859	1.5
165.05476	33.0
167.03404	38.9
167.07089	1.5
168.03653	1.1
168.29716	1.1
169.06505	2.6
171.68776	1.1
177.05443	5.0
177.24529	1.1
178.02679	1.4
193.04971	49.8
197.05957	5.5
211.07504	1.6
214.06390	1.1
225.05463	2.4
229.08659	4.6
239.07120	2.2
257.08084	5.2
271.90369	1.0
285.07593	1.4
289.10678	7.9
299.08951	2.1
302.04263	1.4
312.06079	3.9
317.10178	100.0
318.10562	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	317.102
Annotation	Mucroquinone
Peak:m/z	Relative Intensity
53.03934	0.5
55.01852	0.3
55.05507	0.5
65.03946	1.8
67.05491	0.5
68.99762	0.3
69.03403	0.5
69.07033	0.4
71.59192	0.3
73.27898	0.2
74.78752	0.2
79.05496	2.6
81.03407	0.6
81.07055	1.6
82.04189	0.9
85.02875	0.4
91.05471	0.6
93.03384	0.4
93.07045	0.7
95.04976	1.2
95.08589	0.6
97.02880	0.4
103.05441	0.4
105.07027	0.9
107.04963	1.9
107.08591	0.7
109.06503	0.3
109.10143	0.4
110.03677	2.4
111.04440	0.5
115.05456	0.4
117.03395	0.3
119.08572	0.5
121.06492	0.4
121.10099	0.5
123.04411	0.5
125.05996	2.6
129.06941	0.3
131.04967	0.3
131.08525	0.4
133.06465	0.3
133.10132	0.6
134.03714	0.3
135.04414	0.5
135.08028	0.6
137.05988	0.8
137.09610	0.3
137.13203	0.3
138.03119	17.2
139.03810	0.3
141.05475	0.2
141.07010	0.5
145.10124	0.4
147.04446	0.4
147.11665	0.4
149.05923	0.5
150.03152	0.3
151.03900	0.5
151.07571	0.3
153.05463	100.0
154.05791	1.8
154.07796	0.3
155.08527	0.3
157.06438	0.2
159.08121	0.2
161.13240	0.3
162.03094	1.9
163.03860	0.9
163.07529	0.7
165.05444	0.8
165.06816	0.3
167.03423	0.4
167.07022	0.7
168.05675	0.5
169.06398	1.1
177.05461	5.5
178.06174	0.5
193.04907	0.4
195.04402	0.2
196.05154	0.6
197.06000	0.9
197.13280	0.2
207.04509	0.4
211.07552	0.8
213.05464	0.5
225.05440	1.2
228.04141	0.2
233.08031	0.4
239.07014	0.8
245.07062	0.3
253.04863	0.6
256.07266	0.3
257.08054	0.5
267.06500	0.4
270.05344	0.2
274.04645	0.7
285.07523	2.4
285.10266	0.3
286.08160	0.3
289.10803	0.3
299.09222	0.8
299.19928	0.4
301.06018	0.4
302.04007	0.4
302.06927	1.2
317.06412	1.6
317.09756	5.2
317.21942	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1017
Annotation	7,4'-Dihydroxy-3',5'-dimethoxyisoflavanone
Peak:m/z	Relative Intensity
55.01866	1.7
55.05510	0.8
63.48143	0.5
65.03934	0.7
67.05495	1.3
68.99789	2.0
69.03425	18.6
70.06618	0.5
71.04996	0.6
71.57836	0.9
77.03901	0.5
79.05498	0.9
81.03412	0.5
81.07066	0.9
84.08134	0.8
85.02923	0.8
86.09705	1.0
91.05477	3.7
93.07024	0.6
95.04961	2.9
97.02881	0.5
105.03380	1.0
105.07011	0.9
107.04947	1.7
109.02892	0.6
109.06560	0.7
111.04450	1.3
115.05428	1.0
119.04932	7.5
121.02859	1.0
121.06441	0.6
123.04424	53.2
124.04737	1.2
125.06004	0.7
127.03908	0.9
129.10226	0.8
130.06508	0.6
131.05000	0.5
133.06453	1.1
135.04417	0.8
137.02353	1.4
137.05899	2.5
139.03896	6.4
141.05486	5.1
143.04910	1.1
147.03227	1.2
147.04404	22.5
149.05971	2.1
151.03889	1.2
151.07651	0.6
153.01817	2.6
153.05461	7.1
154.02208	0.6
155.02226	0.8
161.02426	0.5
161.06000	5.1
163.03935	1.9
165.01794	1.7
165.05470	100.0
166.02692	0.5
166.05838	2.5
167.06982	0.5
172.48586	0.5
173.05994	0.6
177.05492	2.6
179.03517	0.7
179.07066	2.9
183.02895	1.8
189.05450	1.4
191.03458	1.2
194.76732	0.5
195.02977	1.0
195.06549	3.8
205.04938	0.6
207.06552	6.9
215.03397	1.2
215.06889	0.8
243.02896	0.7
243.06512	0.8
256.63077	0.5
271.02777	0.7
271.06143	0.8
289.03421	1.5
290.03845	0.6
299.05829	0.9
299.09235	1.9
317.02835	1.4
317.06546	4.7
317.10181	16.7
318.10190	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.01878	0.7
55.05518	0.4
59.68316	0.4
61.47478	0.5
65.03927	0.9
67.05498	0.6
68.99800	0.7
69.03410	1.1
69.32147	4.4
79.05477	1.8
80.71612	0.4
81.03416	1.2
81.07063	0.8
83.04984	0.4
85.02901	1.7
91.05453	0.9
92.02628	2.3
93.03400	2.0
93.07021	0.5
95.04963	2.2
97.02866	0.5
98.97580	0.5
105.03347	0.5
105.07005	0.7
107.04949	100.0
108.05282	1.6
109.02898	0.9
110.03625	0.4
120.06577	0.5
121.02872	2.5
121.06479	1.5
123.04413	3.4
127.03913	1.3
131.04930	1.4
133.02933	0.5
135.04407	1.4
137.02347	1.1
137.05983	1.1
139.03894	3.1
145.06487	0.5
147.04399	1.4
149.05994	1.1
151.03896	6.7
151.07613	0.9
153.01825	17.1
153.05479	1.7
159.07927	0.5
163.03859	2.2
165.01862	0.9
165.05476	3.6
167.07018	1.3
169.04959	1.0
171.41263	0.4
173.05937	0.6
175.03845	0.6
177.05441	0.6
179.03439	0.8
179.07040	0.9
193.04947	7.2
193.06693	0.5
200.04587	0.6
201.05504	1.5
203.03433	1.6
205.04979	0.7
211.05995	12.0
211.07991	0.6
217.04865	2.3
218.05699	1.3
223.06107	0.5
228.04144	2.3
229.04961	4.7
230.05333	0.5
231.02901	1.1
243.10196	0.6
245.04463	3.2
246.05162	2.5
255.06737	0.6
257.04434	3.8
260.03192	0.7
261.07632	0.5
271.06183	0.5
271.09363	0.6
273.03967	1.6
274.04684	4.7
281.08014	0.9
284.03146	0.8
285.03998	5.2
287.27939	0.4
288.06229	0.6
299.09094	3.4
299.20401	0.7
302.00754	0.8
302.04218	16.1
303.04550	0.6
317.06561	66.8
317.21774	1.3
318.06781	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	317.1019
Annotation	Teucrol
Peak:m/z	Relative Intensity
53.03936	1.9
55.01871	1.6
55.05493	0.8
58.43130	0.6
65.03942	2.2
67.05490	2.2
68.99781	4.5
71.59515	0.6
77.03921	0.7
78.04720	0.7
79.05496	11.4
80.92731	0.6
81.07040	1.6
83.04975	1.0
91.05476	9.4
91.66638	0.6
93.07033	2.9
95.04974	10.1
95.08588	2.9
103.05478	5.8
105.03362	1.3
105.04542	1.1
105.07033	12.1
106.04170	0.7
107.04953	100.0
107.08604	2.0
108.05814	0.8
109.02842	0.6
109.06511	1.5
110.03642	0.7
111.04446	1.4
115.05441	3.9
117.06983	3.0
118.04172	2.0
119.04948	7.9
119.08620	0.8
120.05732	0.6
120.66097	0.6
121.02842	0.8
121.06497	6.8
122.03666	1.0
123.04427	12.3
124.05231	2.8
125.05994	2.8
131.04912	1.5
132.05705	0.8
133.02858	3.8
133.06493	20.5
133.10080	0.7
134.03633	1.9
135.04413	75.9
135.08041	20.5
136.04793	0.7
137.02348	9.7
137.05969	15.0
138.03157	0.8
139.07518	3.4
140.04689	3.1
141.05496	0.8
141.06952	1.1
145.06511	2.4
147.04398	19.0
147.05516	1.1
147.08066	2.0
148.05193	27.1
149.02428	1.2
149.06001	7.3
149.09576	0.6
150.03102	1.2
151.03964	0.8
151.07556	4.3
152.04684	2.9
153.05464	5.7
153.07108	0.8
154.06235	0.7
155.05969	0.9
155.07004	3.7
159.08014	0.9
161.05988	14.5
162.06746	1.4
163.03905	46.8
163.07547	49.3
164.04489	0.8
165.05484	2.4
165.06946	1.5
165.09111	2.2
166.06262	0.7
167.07045	13.8
168.04192	0.8
168.05606	1.0
169.06445	0.9
175.07559	1.9
176.08359	0.7
177.05486	1.6
177.09114	1.2
178.06247	41.9
179.07037	14.5
179.10739	0.8
180.07669	1.0
181.06543	0.9
181.08589	1.7
182.07260	0.6
183.06523	3.0
183.08003	1.5
186.06837	1.0
192.07796	2.1
193.08604	20.0
196.05164	0.8
197.05963	4.0
198.06616	0.7
199.07494	1.0
201.05531	0.7
201.09128	0.9
207.06503	1.8
207.10101	3.0
210.06798	1.1
211.07549	2.3
212.08307	0.7
213.05481	0.9
214.06224	0.7
215.07053	0.8
225.05434	0.9
225.09093	1.7
227.07013	1.6
229.08615	7.9
231.06534	1.2
233.08395	0.8
237.05409	0.7
238.06068	1.0
239.06975	2.4
241.04962	1.2
243.10074	0.7
249.47804	0.8
253.08620	1.8
255.06465	1.8
257.08011	2.5
257.11957	0.7
259.09491	0.8
267.06458	0.9
270.08875	2.4
271.09564	0.8
274.08167	1.2
285.07477	1.4
285.11145	2.1
289.10648	16.9
299.09241	3.7
299.12155	0.6
317.06461	1.6
317.10168	23.1
317.13907	3.1
317.21768	0.9
318.10538	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1017
Annotation	Cyrtominetin
Peak:m/z	Relative Intensity
53.03938	1.2
55.01855	1.2
65.03928	1.9
67.05505	2.1
68.99785	1.8
69.03429	1.0
69.07076	0.9
71.58017	1.3
78.79312	0.7
79.05494	4.4
81.03407	2.5
81.07054	1.9
84.08131	0.9
85.02936	0.7
85.06516	0.9
91.05466	6.3
92.02630	2.5
93.03404	2.2
93.07040	2.6
95.04963	8.2
95.08601	1.0
97.06504	1.4
103.05456	2.0
105.03374	1.1
105.07027	2.3
107.04954	38.8
107.08556	1.4
108.05252	0.8
109.02905	1.4
109.06562	1.2
109.10141	1.4
111.08074	0.9
115.05494	0.9
119.04943	7.2
120.08084	0.8
121.02878	2.4
121.06494	3.0
121.10155	1.0
122.03709	1.8
123.04428	9.0
124.01562	0.8
125.05935	0.9
126.03218	1.3
133.02829	5.1
133.06509	1.4
135.04416	61.2
135.08037	1.5
137.02345	8.2
137.05969	7.4
138.03072	0.9
139.03912	2.9
139.07547	0.9
140.04681	2.3
141.07027	1.4
145.06448	1.4
146.99747	0.8
147.04416	12.4
147.11647	0.9
148.05226	1.2
149.02345	1.6
149.05957	2.2
150.03149	3.7
151.03856	2.4
151.07605	1.8
152.04700	0.9
152.06204	1.0
153.00598	1.2
153.01825	23.8
153.05478	4.8
153.06677	0.9
155.07031	3.2
161.05998	1.6
161.09644	1.3
163.03903	25.8
163.07561	1.9
164.04684	1.5
165.05498	5.7
165.06834	1.6
167.03465	0.9
167.07030	6.8
168.05612	1.1
169.06444	1.0
173.05925	1.0
175.07530	1.1
178.06403	1.1
179.03462	1.6
179.05501	0.9
179.07040	13.9
181.06384	0.9
183.06537	4.7
183.07993	1.4
189.05559	1.0
193.08566	1.1
197.05966	3.7
200.04787	0.9
201.05466	1.9
201.09137	1.0
203.03394	1.2
204.04179	1.0
207.06482	3.7
210.06894	0.9
211.07573	1.8
213.05397	1.5
214.06250	0.9
215.07051	1.4
217.05042	3.7
217.06953	0.9
218.05534	1.5
219.03036	1.0
228.04164	4.8
229.04970	10.3
229.08549	5.4
231.02911	1.2
232.03639	1.8
233.08168	1.0
238.06212	0.9
239.07034	1.7
243.06451	1.2
245.04491	3.4
246.05234	2.7
257.04471	4.5
257.07983	5.1
271.05978	1.2
273.03925	2.6
274.04681	6.1
285.03958	7.6
285.07211	1.6
287.05371	0.9
289.07513	1.5
289.10663	12.6
299.05963	1.4
299.09286	3.7
302.04218	31.8
303.04785	1.8
317.06561	100.0
317.10104	20.4
317.14389	2.5
317.21085	1.6
318.07013	5.6
320.14914	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47047	0.1
55.01864	0.2
56.83586	0.1
62.18916	0.1
65.03944	1.0
67.01869	0.2
67.05492	0.3
68.99796	0.7
69.03433	0.2
72.10881	0.2
79.05491	0.2
81.03436	0.2
81.07024	0.2
91.05486	0.3
92.02622	4.0
93.03410	2.9
93.07093	0.3
94.04204	0.2
95.04936	0.4
97.02900	0.5
98.20731	0.4
103.05458	0.2
105.07048	0.6
107.04948	1.7
109.02891	0.4
111.00813	0.4
111.04432	0.2
115.05479	0.2
117.07058	0.2
120.02104	0.2
121.02859	2.4
121.06544	0.2
122.03650	0.4
123.04418	0.6
124.01553	0.3
126.03139	1.3
133.02866	0.3
133.06506	1.1
135.04410	0.5
135.08057	0.5
137.02342	0.7
137.06024	0.9
139.03906	1.6
145.06480	0.3
147.04378	0.2
148.05182	0.6
149.02367	0.2
150.03152	0.2
151.03926	1.6
151.05014	0.3
153.01825	20.9
153.05351	0.8
155.04953	0.5
161.05969	1.3
163.03923	0.6
163.07545	1.6
165.01854	1.1
165.05435	0.2
166.02649	0.4
170.02116	0.4
172.05159	0.2
173.05997	0.7
176.04678	0.2
177.05458	0.6
178.06264	0.8
179.03371	0.5
183.02908	0.2
183.04436	0.3
187.03989	0.3
189.05496	0.3
190.06396	0.2
191.03397	0.2
193.08572	0.6
200.04688	0.7
201.05472	1.8
203.03363	1.9
204.04141	0.2
205.05135	0.2
211.03896	0.3
217.04955	3.2
218.05768	1.2
219.02884	0.6
225.05130	0.2
228.04161	4.1
229.04950	8.0
230.05602	0.2
231.02887	1.3
232.03658	0.2
233.08086	0.5
243.06548	0.3
245.04463	4.1
246.05232	3.7
256.03638	0.6
257.04434	5.3
257.07098	0.3
259.02393	0.3
260.03156	0.9
261.07452	0.4
271.05927	0.5
273.03922	3.9
273.06699	0.3
274.04715	7.4
275.04984	0.4
284.03128	1.0
285.03931	8.8
286.04303	0.3
287.01996	0.2
288.06265	0.4
289.18274	0.2
301.03442	0.5
302.04202	24.1
303.04593	0.3
317.06543	100.0
318.06995	2.5
337.73056	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0653
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
56.96564	5.8
67.05498	0.7
67.08795	0.5
69.07035	0.7
71.58705	0.9
72.91145	0.5
79.05503	0.8
81.07048	0.8
84.08150	0.8
89.64816	0.7
107.08613	0.6
121.06472	0.8
123.04386	0.7
125.05968	0.9
131.04962	0.6
137.05940	0.8
140.14317	2.8
147.04387	0.6
151.03894	0.7
153.01811	2.2
163.03860	1.1
165.05469	1.2
191.03300	0.7
192.04137	1.8
200.04686	0.7
202.11269	0.7
203.03447	1.9
217.04947	2.1
218.05663	1.1
228.04179	1.9
248.10004	0.7
266.10831	0.8
273.04028	3.8
274.04715	45.5
275.05118	1.0
299.08929	1.0
302.04205	52.0
303.04547	1.0
312.05878	2.9
317.06546	100.0
318.06857	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	317.0652
Annotation	Milimorin
Peak:m/z	Relative Intensity
65.03938	1.0
67.05488	0.4
68.99790	0.9
69.03443	0.3
70.35680	1.0
81.07050	0.2
86.33247	0.2
87.85706	0.2
89.66891	0.2
91.05495	0.3
92.02626	3.8
93.03408	3.1
93.07059	0.3
94.04179	0.2
95.04985	0.6
105.03456	0.2
105.07060	0.4
107.04981	0.6
107.08630	0.3
109.02888	0.3
109.06561	0.3
111.00833	0.4
115.05433	0.3
117.07035	0.3
121.02886	2.2
123.04478	0.4
126.03117	1.3
131.04919	0.5
135.04414	0.5
137.02350	0.7
137.05975	0.6
139.03915	1.8
145.02808	0.3
145.06453	0.3
148.05234	0.3
151.03915	2.4
151.07504	0.4
153.01830	21.5
155.04930	0.6
161.05959	0.4
162.03122	0.2
163.03908	1.0
163.07687	0.3
165.01834	0.8
166.02602	0.3
170.02115	0.3
173.06023	0.6
177.05513	0.6
179.03409	0.5
183.02859	0.4
183.04378	0.4
187.03918	0.4
190.06357	0.3
191.03487	0.3
200.04684	1.0
201.05450	2.3
203.03398	2.3
205.04918	0.3
207.06461	0.4
208.27353	0.2
217.04961	4.3
218.05681	1.6
219.02925	0.8
228.04166	5.0
229.04974	9.2
231.02878	1.3
232.03439	0.2
239.03508	0.4
243.06424	0.6
245.04451	5.0
246.05215	4.2
256.03693	0.5
257.04449	6.1
260.03201	0.9
261.07565	0.6
271.06046	0.8
273.03894	4.1
274.04736	9.3
275.05179	0.3
284.03293	1.2
285.03943	9.2
288.06308	0.4
301.03430	0.5
302.04205	25.9
303.04675	0.6
317.06558	100.0
318.06958	2.2
323.92496	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0655
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
57.95049	0.3
65.03927	0.9
66.79363	0.2
67.49002	0.2
68.99776	0.9
69.85201	1.7
74.92264	0.3
92.02628	4.2
93.03413	3.0
107.04933	0.9
109.02879	0.3
111.00797	0.3
120.02006	0.2
121.02869	2.5
122.03667	0.3
126.03135	1.5
135.04427	0.9
137.02379	0.6
137.06000	0.4
139.03889	1.7
143.15907	0.2
145.06500	0.4
150.03111	0.4
151.03903	1.8
153.01823	19.5
155.04878	0.4
163.03897	1.0
165.01837	0.8
166.02602	0.5
173.05988	0.6
177.05368	0.3
179.03450	0.5
183.02924	0.4
187.03931	0.4
189.88756	0.3
190.06258	0.3
200.04669	1.0
201.05470	2.2
203.03362	2.4
204.04065	0.3
217.04991	3.4
218.05734	1.2
219.02806	0.6
228.04190	4.7
229.04950	8.3
230.05640	0.3
231.02841	1.0
232.03676	0.4
243.06558	0.3
245.04456	5.2
246.05258	3.4
256.03644	0.8
257.04456	5.3
259.35440	0.3
260.03140	0.9
261.07407	0.5
271.06042	0.5
273.03879	3.9
274.04721	6.5
284.03247	1.0
285.03934	8.2
287.02072	0.4
288.06271	0.3
301.03455	0.3
302.04205	23.4
303.04559	0.3
317.06555	100.0
318.06903	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05636	0.2
67.05506	0.4
68.99814	0.3
69.03426	0.4
70.83728	0.5
70.84067	0.3
79.05468	0.4
81.07005	0.5
91.05443	0.5
93.07025	0.4
97.02867	0.3
103.05477	0.3
105.03356	0.3
105.07024	0.4
107.04962	1.2
109.10140	0.3
121.06472	0.7
123.04387	0.6
124.01511	0.3
125.05956	0.5
133.06508	0.4
133.10117	0.3
135.04390	0.8
137.02319	0.6
137.05968	1.1
139.03920	0.5
145.06454	0.3
147.04390	0.4
147.11612	0.4
148.05130	0.4
149.05972	0.3
151.03880	0.3
151.07542	0.5
153.01814	2.8
153.05421	0.6
163.03871	1.1
163.07532	0.4
163.11148	0.3
165.05449	0.7
167.07031	0.4
169.06416	0.3
179.03381	0.3
192.04134	0.8
193.05101	0.3
197.05754	0.3
200.04732	0.6
201.05457	0.5
203.03358	2.0
213.05373	0.2
217.04942	1.2
218.05821	0.3
228.04176	1.9
229.04993	0.7
233.08087	0.3
245.04451	0.8
255.06479	0.3
256.03641	0.3
257.08127	0.5
267.55249	0.2
271.09723	0.4
273.03934	2.8
273.20615	0.3
274.04712	50.0
275.05099	1.3
275.07632	0.2
285.03860	0.3
289.10580	0.3
299.09167	2.0
302.04205	54.5
303.04596	1.4
317.06552	100.0
318.06949	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0653
Annotation	Milimorin
Peak:m/z	Relative Intensity
59.63901	0.3
60.15073	0.2
65.03930	1.2
67.01861	0.5
68.35782	0.3
68.99782	1.0
69.03441	0.4
69.44134	1.5
69.44544	0.5
79.05468	0.5
82.82767	0.2
90.69640	0.2
91.05434	0.3
92.02621	4.1
93.03413	3.3
95.05016	0.3
107.04960	7.4
109.02864	0.4
111.00768	0.5
121.02845	2.6
122.03632	0.3
123.04421	0.8
126.03114	1.2
127.03904	0.9
131.04874	0.3
133.02812	0.3
135.04436	0.4
137.02321	1.0
137.05960	0.5
138.03116	1.6
139.03911	2.2
145.06493	0.5
147.04396	0.5
149.02354	0.4
149.05994	0.3
151.03889	1.6
153.01830	26.5
153.05447	7.3
154.02266	0.3
155.04895	0.5
163.03984	0.4
165.01851	1.0
165.05502	0.8
166.02640	0.4
166.69211	0.3
169.04936	0.3
170.02039	0.3
173.05988	0.6
177.05476	0.9
179.03427	0.6
183.02925	0.6
187.03940	0.5
189.05432	0.5
190.02550	0.4
190.06261	0.4
200.04691	0.9
201.05438	2.0
203.03383	2.1
204.04144	0.3
211.03891	0.4
213.05434	0.2
217.04955	3.7
218.05745	1.6
219.02907	0.8
225.61668	0.3
228.04160	4.8
229.04967	8.3
231.02928	1.7
232.03636	0.4
233.04526	0.4
239.03387	0.5
243.06615	0.3
245.04448	5.0
246.05222	3.5
256.03641	0.7
257.04434	5.0
259.02475	0.3
260.03149	0.7
271.05896	0.4
273.03949	3.6
274.04727	7.9
284.03165	1.1
285.03949	7.9
286.04401	0.3
287.01974	0.3
288.06363	0.6
299.05600	0.4
301.03424	0.7
302.04208	22.6
303.04593	0.4
317.06549	100.0
318.06989	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0652
Annotation	Milimorin
Peak:m/z	Relative Intensity
50.49409	0.3
55.01859	0.6
55.05483	0.6
62.80226	0.3
65.03926	1.1
67.05483	0.9
68.99791	1.7
69.03421	3.5
69.07059	0.4
71.58362	0.3
71.58751	0.7
72.08124	0.3
79.05479	0.9
81.03396	0.4
81.07052	0.8
82.06563	0.9
83.51511	0.3
84.08148	0.4
85.02840	0.3
86.10879	0.3
91.05471	1.4
92.02617	3.6
93.03408	3.0
93.07024	0.7
94.04192	0.3
94.06546	0.7
95.01352	0.4
95.04951	1.3
95.06843	0.4
95.08604	0.4
97.02907	0.3
97.06504	0.4
103.05405	0.4
105.03429	0.4
105.07035	0.6
107.04972	1.6
107.08541	0.4
107.95899	0.3
109.02928	0.6
109.06506	0.4
109.10106	0.3
111.00796	0.9
117.06997	0.7
119.04920	1.5
121.02859	2.4
121.06477	0.6
122.03625	0.5
123.04423	9.7
123.05328	0.6
125.05972	0.5
126.03101	1.5
127.03901	0.4
129.06979	0.3
131.04913	0.4
133.06444	0.3
134.62073	0.3
135.04396	1.4
136.07565	0.4
137.02322	2.8
137.05963	1.4
138.03201	0.3
139.00255	0.4
139.03937	1.7
141.05440	1.2
145.02858	0.3
145.06461	0.6
147.04399	4.3
149.02304	0.3
149.05945	0.8
150.03026	0.3
151.03937	1.9
151.07497	0.4
153.01823	21.7
153.05441	1.3
155.04895	0.6
155.07034	0.4
157.06488	0.3
161.06007	1.9
161.09630	0.3
162.05464	0.3
163.03912	2.5
165.01787	1.2
165.05476	17.0
166.02641	0.7
167.03494	0.3
168.05733	0.5
170.02115	0.3
171.04317	0.4
173.05975	0.6
177.05495	1.1
179.03349	0.4
179.07069	0.8
183.02896	0.4
185.05862	0.3
187.03920	1.4
189.05469	0.6
191.03413	0.9
193.01189	0.3
195.06535	0.8
197.03326	0.6
197.05977	0.6
200.04602	1.3
201.05458	2.0
203.03346	2.1
204.04164	0.6
205.04977	0.7
207.06520	0.8
211.03812	0.4
211.07629	0.9
213.05333	0.4
214.06099	0.4
215.03326	0.8
217.04932	3.9
218.05666	1.0
218.11792	0.4
219.02898	1.2
225.08916	0.3
228.04193	4.4
229.04961	8.6
229.08603	0.7
231.02911	1.2
232.03700	0.4
233.04440	0.9
239.07018	1.3
241.04921	0.5
243.02975	0.7
243.06503	0.7
245.04442	5.6
246.05229	3.5
247.02301	0.5
256.03662	0.8
257.04477	5.2
257.08142	0.7
260.03119	0.7
261.04016	1.2
266.05768	0.4
271.06070	0.8
271.10895	0.5
273.03918	3.9
274.04712	7.1
275.05490	0.4
275.09482	0.3
284.03189	0.7
284.06482	0.4
285.03983	8.4
285.07443	1.3
287.10162	1.2
289.03424	3.5
289.11105	0.6
299.05576	0.6
299.09476	3.6
301.03448	1.5
302.04190	22.9
303.04404	0.7
317.03052	6.7
317.06531	100.0
317.10117	4.3
318.03424	0.7
318.06683	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67286	0.6
53.81607	0.6
55.01875	0.9
55.05510	5.1
56.05026	3.9
57.03419	1.1
57.07073	3.3
57.80338	0.7
60.04525	100.0
66.71516	0.7
67.05505	13.5
69.03420	0.8
69.07067	6.1
69.30534	8.3
70.06584	3.5
71.08644	1.4
71.27184	0.6
72.04523	2.1
74.06093	2.4
79.05489	4.6
80.05014	1.1
81.03424	1.4
81.07052	10.1
82.06593	1.5
83.08611	3.9
87.04464	19.6
87.04967	1.2
88.07623	3.7
90.05555	1.3
91.05477	4.6
93.07027	5.2
95.04977	2.7
95.08598	8.4
97.06549	1.5
97.10168	2.1
98.06062	0.7
102.09182	2.4
105.07037	4.4
107.08580	5.0
109.06503	2.0
109.10148	9.5
112.52026	0.8
117.07043	1.3
119.08567	4.5
121.10162	2.9
123.08069	2.0
123.11709	1.3
126.86089	0.7
131.08545	1.2
133.10149	1.3
135.08041	1.1
135.11681	1.3
137.09637	5.3
137.13181	0.7
145.10098	1.9
149.13252	1.0
151.07571	5.3
155.68138	0.7
159.11754	1.2
163.11142	1.2
177.04010	0.7
189.12781	2.0
197.13188	0.8
207.13782	1.9
243.13994	0.9
250.25427	1.3
256.26346	8.9
262.25220	1.8
268.26382	1.0
280.26355	12.8
298.27356	9.9
298.30304	1.0
299.20251	1.5
316.08884	1.0
316.22702	1.7
316.28473	38.8
317.06339	1.2
317.20959	5.0
317.28922	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51806	0.5
53.03940	1.0
68.97531	0.6
70.14060	2.6
77.78950	0.5
80.05003	1.2
81.07051	0.7
83.93033	0.6
91.05475	5.8
93.07045	11.3
95.04961	2.1
95.08585	1.4
96.08123	1.0
103.05482	6.4
107.04939	2.2
107.08604	0.7
108.08126	0.6
110.09664	1.4
121.06506	95.2
122.06818	1.4
122.09691	1.4
124.11252	1.1
130.06512	0.8
133.06419	0.7
135.08028	0.8
136.11243	2.7
147.04300	0.7
150.12787	1.7
152.14343	38.5
153.01813	1.9
153.05499	0.6
153.14671	1.0
154.02129	2.3
163.03935	0.6
165.05487	0.8
167.03496	1.1
167.07091	0.8
193.08661	0.8
196.16983	2.1
200.10760	2.7
218.11757	2.1
218.15349	0.7
227.06612	0.7
229.04932	0.9
230.05284	1.5
242.15392	2.1
255.06052	1.4
258.04825	1.3
266.05371	0.7
272.20090	100.0
273.07101	2.7
273.20477	4.6
283.05493	1.7
285.95822	0.6
298.15579	1.0
300.05945	1.5
301.06613	8.4
316.08978	21.6
316.22720	82.9
317.09390	1.7
317.23166	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	316.2845
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
52.92351	0.7
55.05513	4.5
56.05033	3.9
57.07062	1.3
60.04525	100.0
64.77478	0.7
67.05505	7.6
69.07069	4.2
70.06596	1.0
70.88585	2.5
71.08640	1.1
72.04515	1.6
73.32455	0.7
74.06100	1.7
76.80418	0.6
79.05489	3.0
79.24469	0.7
80.05045	0.9
81.07051	6.7
82.06579	1.4
83.08639	3.6
84.20278	0.6
86.06068	1.0
88.70979	0.7
90.05534	1.1
91.05482	2.6
93.07038	2.6
95.04983	0.9
95.08598	5.3
97.10175	1.1
104.28580	0.6
105.07055	0.9
107.08596	1.9
109.10148	1.7
110.09672	0.7
112.07609	0.9
116.07068	0.9
119.08592	0.9
121.10130	1.7
133.10143	1.1
139.61400	0.7
157.13589	0.7
231.87141	0.7
250.25462	1.1
262.25226	1.7
268.26511	0.9
280.26343	12.8
298.27405	13.4
299.27652	1.0
314.45456	0.8
316.28464	26.4
317.28799	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.8
53.03942	3.6
55.01867	2.4
55.05510	9.1
57.03442	4.3
57.07073	2.0
59.04996	1.4
61.02937	0.8
65.03929	2.1
65.23637	0.6
67.05502	51.4
68.99796	0.7
69.03426	4.9
69.07071	6.7
70.03771	1.7
71.05002	4.1
71.58683	1.1
78.51680	0.7
79.01846	2.5
79.05494	23.7
80.02184	1.7
81.03426	10.4
81.07056	33.9
82.03751	4.7
82.07413	1.0
83.04984	2.3
83.08607	2.2
85.02899	2.9
85.06553	0.8
86.03225	1.0
91.05481	19.8
91.06015	1.5
93.07043	26.7
95.04964	11.7
95.08605	69.4
96.08933	1.3
97.02896	3.1
97.06551	1.3
98.03216	1.8
99.04462	0.8
103.05473	4.9
105.07026	15.9
107.01364	1.4
107.04959	4.3
107.08596	13.9
109.02893	4.0
109.06532	4.6
109.10153	36.2
110.03221	2.7
117.07007	1.7
119.04942	1.4
119.08587	19.9
121.06503	100.0
121.10143	5.7
122.06837	1.7
122.34729	0.8
123.08049	3.6
123.11720	1.6
125.02317	2.2
126.02711	1.5
127.03924	3.0
128.04263	2.4
133.06496	1.3
133.10121	4.4
135.08037	2.0
135.11707	5.5
136.07549	4.2
137.06001	1.2
137.09605	8.1
138.09129	11.5
143.03436	2.7
144.03767	3.4
147.04388	1.6
148.05228	2.3
149.05965	1.0
149.13254	3.5
151.14824	11.6
153.01830	35.8
153.05434	1.0
154.02155	36.5
155.02310	2.7
161.05937	1.3
161.13278	4.5
163.03845	2.0
163.07541	3.4
165.05589	1.0
167.06944	1.1
171.02878	1.1
172.03157	1.6
178.06274	2.4
179.14316	10.2
181.08708	0.8
182.05362	1.0
193.08609	1.6
196.08475	0.9
196.17062	3.9
218.15433	1.8
224.46346	0.8
246.14790	3.4
284.10065	2.3
293.10403	1.1
298.06409	5.6
301.06683	1.1
316.08939	4.0
316.12665	1.8
316.22699	74.2
317.06567	1.8
317.23007	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64597	1.0
55.01872	1.4
56.96556	1.1
57.49481	0.9
61.64584	0.8
63.01767	0.8
66.08187	0.9
69.03402	1.5
69.07074	2.2
70.06599	2.2
71.04989	1.0
71.57753	2.0
72.08177	1.2
76.98515	0.9
79.05487	1.4
81.03398	2.2
84.08144	1.0
85.02900	2.8
86.03250	1.2
86.09709	5.6
91.05485	1.9
93.07078	1.1
95.08631	1.3
105.07049	1.1
107.04948	2.1
109.06515	1.0
119.07363	1.6
123.04463	2.4
136.09605	1.0
137.08356	1.9
138.09157	2.0
141.06964	1.1
142.11238	0.9
142.12309	1.3
151.03902	1.1
153.01842	5.8
153.05455	1.4
153.06960	2.5
153.10194	0.9
154.02139	6.6
155.08568	3.7
165.05637	1.7
165.06903	4.9
166.08806	1.3
170.06308	6.3
178.07715	5.8
179.08568	17.6
181.06529	3.6
181.95120	1.0
183.08055	89.9
184.08438	2.2
189.07062	1.8
191.08586	1.1
193.44283	1.0
194.07288	4.8
195.08057	2.0
197.09714	1.6
206.09552	2.4
207.08055	94.5
208.08627	3.1
209.09628	10.6
211.07526	11.9
224.10747	3.4
225.09181	2.9
229.08615	4.4
235.07542	9.0
237.89984	1.1
238.49457	1.0
239.07021	2.5
253.08600	100.0
254.08992	2.5
257.08078	56.7
270.11249	49.7
270.14227	1.8
271.11328	1.0
281.08026	3.6
287.10400	1.0
294.11267	1.3
298.06647	1.4
299.09122	35.8
316.11356	6.7
316.21426	1.1
317.03134	1.5
317.07111	1.2
317.11829	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	316.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64597	1.0
55.01872	1.4
56.96556	1.1
57.49481	0.9
61.64584	0.8
63.01767	0.8
66.08187	0.9
69.03402	1.5
69.07074	2.2
70.06599	2.2
71.04989	1.0
71.57753	2.0
72.08177	1.2
76.98515	0.9
79.05487	1.4
81.03398	2.2
84.08144	1.0
85.02900	2.8
86.03250	1.2
86.09709	5.6
91.05485	1.9
93.07078	1.1
95.08631	1.3
105.07049	1.1
107.04948	2.1
109.06515	1.0
119.07363	1.6
123.04463	2.4
136.09605	1.0
137.08356	1.9
138.09157	2.0
141.06964	1.1
142.11238	0.9
142.12309	1.3
151.03902	1.1
153.01842	5.8
153.05455	1.4
153.06960	2.5
153.10194	0.9
154.02139	6.6
155.08568	3.7
165.05637	1.7
165.06903	4.9
166.08806	1.3
170.06308	6.3
178.07715	5.8
179.08568	17.6
181.06529	3.6
181.95120	1.0
183.08055	89.9
184.08438	2.2
189.07062	1.8
191.08586	1.1
193.44283	1.0
194.07288	4.8
195.08057	2.0
197.09714	1.6
206.09552	2.4
207.08055	94.5
208.08627	3.1
209.09628	10.6
211.07526	11.9
224.10747	3.4
225.09181	2.9
229.08615	4.4
235.07542	9.0
237.89984	1.1
238.49457	1.0
239.07021	2.5
253.08600	100.0
254.08992	2.5
257.08078	56.7
270.11249	49.7
270.14227	1.8
271.11328	1.0
281.08026	3.6
287.10400	1.0
294.11267	1.3
298.06647	1.4
299.09122	35.8
316.11356	6.7
316.21426	1.1
317.03134	1.5
317.07111	1.2
317.11829	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	316.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07067	3.3
53.03946	3.7
56.96556	13.2
57.03429	8.0
61.02922	11.2
69.03429	22.3
70.06585	11.2
71.57807	5.8
72.04509	4.6
73.02904	11.8
77.62651	3.7
81.03410	11.1
82.06579	14.7
84.04516	4.2
84.08121	6.4
85.02898	40.7
97.02875	21.1
98.97549	16.1
100.07619	22.9
100.11264	5.6
101.00866	3.9
109.02892	8.7
110.05993	3.8
112.99085	3.6
115.02440	4.5
116.07060	4.5
116.98657	9.5
119.01902	18.1
123.09174	5.7
127.03909	12.4
128.98624	3.9
131.00151	5.9
131.01878	10.1
133.03452	5.7
134.99762	3.2
136.06459	5.1
136.07571	65.0
137.05997	22.2
145.03494	6.4
145.04956	6.2
146.99629	4.6
149.01207	4.6
153.01804	11.3
154.02147	14.4
154.04932	8.4
154.08630	39.2
155.04602	4.3
157.03453	5.3
161.01105	4.2
161.02959	9.1
162.03062	7.9
163.04530	4.1
169.09706	13.3
173.02911	4.5
176.07616	7.7
178.04880	4.4
185.02885	4.1
189.55675	4.1
190.03891	3.7
200.07695	6.3
202.09314	5.5
206.01709	3.7
210.05975	3.8
214.09213	4.1
220.04971	8.3
221.05019	5.6
224.08015	5.3
228.07181	5.3
236.70267	3.4
237.02687	5.0
238.05952	5.2
246.08313	6.4
258.06519	4.3
258.13290	3.5
266.48862	3.4
274.01407	3.9
274.07846	7.3
276.07562	15.3
298.06390	4.2
302.05273	6.4
316.07938	100.0
316.13654	33.2
321.10144	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	316.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30616	1.2
70.75359	3.0
76.86289	1.0
97.02907	3.2
101.00872	3.5
113.03482	1.7
116.98612	1.2
118.88667	1.1
119.01917	49.6
119.60456	1.0
120.02004	6.2
121.01669	7.7
122.29546	1.4
134.99838	3.3
137.02953	31.1
138.03020	7.4
139.02657	6.1
142.03468	6.3
143.03641	2.1
144.03249	1.4
153.00832	2.0
155.01433	1.4
158.99873	2.2
160.04570	3.7
177.00958	48.1
178.01013	16.7
179.00688	14.8
180.00876	1.8
197.00693	1.4
208.95949	1.4
214.95576	2.3
217.04082	3.0
219.02003	32.9
220.02071	11.0
221.01788	9.5
222.02032	1.4
225.00934	2.6
232.96448	1.5
234.03638	2.4
235.00034	1.7
238.95578	2.1
239.95753	1.3
242.03703	1.1
243.01953	6.8
252.94568	2.4
256.96616	43.0
257.96689	17.6
258.83322	1.3
258.96439	19.6
258.99918	3.2
259.96664	1.2
260.00122	4.3
261.00266	3.8
261.03055	100.0
262.03177	21.6
263.02832	15.6
264.02853	3.3
271.48135	2.1
272.94583	6.1
273.94614	3.8
274.06915	2.6
274.94272	10.4
274.97675	24.0
275.43970	2.4
275.94650	2.2
275.97791	10.3
276.92511	1.2
276.97461	12.1
277.01053	5.6
277.98083	1.2
278.01151	4.9
279.00961	7.5
279.98279	2.7
281.97980	1.3
282.99997	9.3
283.94507	1.4
284.00137	8.8
284.04639	3.5
284.99857	8.4
286.00125	2.5
289.95609	2.7
290.95596	8.5
291.95773	4.1
292.07898	4.5
292.45169	2.3
292.95197	9.2
294.95468	1.5
298.06268	1.8
298.95959	3.8
300.97610	1.5
301.01038	24.1
301.04291	2.1
301.46112	3.1
301.95874	4.4
302.01199	16.5
302.45862	3.3
303.00888	19.6
304.00858	5.6
309.96292	4.2
310.46188	42.3
310.96051	88.8
311.46075	32.5
311.96048	12.7
314.95517	6.0
315.95837	5.1
316.07346	11.3
316.95456	5.3
319.01920	1.9
319.43283	1.4
319.46771	24.6
319.96634	55.4
320.46637	21.7
320.96564	5.8
321.96997	6.4
322.46844	12.4
322.96844	6.9
323.46906	2.4
326.02347	1.8
331.47372	2.9
331.97507	1.9
333.97394	1.8
334.96286	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.3
55.01862	6.3
55.05504	9.7
56.96549	1.6
57.03432	8.3
57.68764	1.5
59.05001	1.6
61.02927	4.0
65.03928	2.2
67.05508	4.3
69.03426	13.0
69.07066	7.3
69.50736	6.2
69.51159	6.1
70.06590	2.2
71.04977	13.1
73.02911	8.0
79.01861	4.0
79.05492	6.3
81.03416	12.0
81.07042	8.6
83.04968	2.6
84.08117	1.6
84.72631	1.5
85.02906	17.6
86.09698	2.4
91.05486	12.1
93.07042	11.5
95.04977	5.1
95.08620	5.9
97.02888	9.1
97.06540	2.2
98.20778	3.2
99.04449	2.3
100.11227	1.5
103.03940	2.2
105.07030	12.6
107.01363	1.6
107.04965	8.9
107.08579	11.7
109.02885	6.6
109.06513	6.8
109.10153	3.2
111.04446	5.8
111.08083	1.8
115.03934	5.5
117.07028	4.4
118.06546	3.4
119.07336	16.2
119.08552	11.3
121.06510	3.3
121.10159	3.0
123.04425	4.7
123.08098	5.4
125.02377	3.4
125.06028	3.2
127.03891	7.7
129.05489	2.6
129.07036	2.6
130.07669	1.4
131.08572	5.2
133.05013	3.7
133.06505	3.2
133.10117	2.1
134.05989	2.6
135.04381	1.9
135.08047	1.8
135.11713	4.7
137.05960	4.0
137.09613	2.1
142.12212	2.6
143.03355	8.8
143.08572	4.3
145.06380	1.3
145.10127	5.4
145.43883	1.3
147.08057	7.1
147.11685	2.5
151.07544	4.0
151.11179	2.1
153.01828	100.0
153.05449	16.1
153.12671	4.0
154.02171	2.6
154.08638	1.8
155.08542	2.4
159.08067	3.2
159.11671	2.5
161.06021	3.3
163.03891	2.9
163.11192	4.0
165.07002	4.6
165.12738	16.8
169.94307	1.4
170.11826	1.6
171.02899	3.6
173.09641	3.5
173.13275	2.9
175.07489	2.3
177.12787	4.5
179.08537	3.3
181.05023	7.3
181.06389	2.1
183.08089	5.6
189.12723	3.2
191.10669	1.5
194.07243	2.5
195.02837	3.5
195.08090	2.6
197.08076	2.7
199.07701	1.7
201.12935	2.1
205.06445	1.5
207.08049	8.0
207.14061	1.4
211.07567	2.8
212.04720	1.6
219.13797	2.0
221.05942	1.7
224.08183	1.9
227.07077	2.4
231.13855	1.7
252.10284	2.1
253.08621	6.8
254.05829	1.5
254.11839	2.2
255.06532	2.9
257.08176	2.3
261.14883	2.5
265.08652	6.1
269.10263	3.4
269.12891	4.4
270.11313	6.4
283.09662	2.9
297.06058	3.2
297.11362	4.6
299.09113	2.6
315.05035	2.4
315.08603	3.8
315.14172	28.3
315.17850	3.2
316.11829	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.9
53.03955	1.5
53.82647	0.9
55.01873	3.7
55.05501	3.8
57.03433	4.2
57.07063	1.0
59.04999	0.9
61.02919	2.1
65.03944	1.5
67.05484	2.0
69.03428	10.2
69.07069	2.7
71.01357	1.4
71.04942	4.5
72.08150	1.3
73.02918	6.0
75.89769	0.9
77.28373	0.9
79.01845	6.7
79.05487	4.0
79.50093	0.9
81.03417	13.6
81.07058	5.6
84.08159	1.3
85.02419	1.5
85.02905	12.8
86.09706	1.5
91.05465	5.2
93.07045	5.6
95.04975	3.0
95.08601	2.2
97.02901	7.0
97.06573	1.1
99.04458	1.7
103.03953	1.5
103.05439	1.0
105.07027	6.1
107.01348	2.1
107.04948	7.3
107.08625	5.4
109.02879	7.4
109.06515	4.0
109.10143	1.7
111.04477	2.7
115.03931	2.2
115.05447	1.1
117.07027	2.5
118.06540	3.3
119.07326	15.4
119.08585	4.9
120.08112	1.2
121.06532	1.9
121.10136	2.0
122.89458	1.0
123.04425	2.9
123.08063	3.0
125.02363	4.2
125.06027	1.1
127.03903	6.6
129.07005	1.4
131.08598	3.1
133.05003	2.7
133.06506	1.1
133.10135	1.3
134.06023	3.8
135.04405	1.5
135.06691	1.0
135.11734	1.2
137.06020	2.6
137.09668	1.7
139.11223	1.1
142.12247	1.7
143.03360	8.1
143.08546	1.2
145.10150	3.6
147.04384	1.0
147.08072	3.7
147.11742	1.5
149.04893	1.0
149.09639	2.3
151.03957	1.2
151.07553	1.8
151.11136	1.3
153.01826	100.0
153.05408	9.4
153.12764	1.4
154.02194	2.9
154.08618	2.2
154.38747	1.0
161.06020	2.0
161.13174	1.1
163.03918	2.3
163.11237	1.0
165.07027	2.0
165.12758	8.3
167.07092	1.1
167.08670	1.0
168.06607	1.0
171.02904	5.8
173.09711	1.9
177.12772	1.5
179.07091	1.2
179.08583	2.6
181.04950	4.0
181.06430	1.9
183.08038	4.7
186.32028	0.9
189.12790	1.4
194.07262	1.6
195.02936	3.2
195.08022	1.2
197.06218	1.0
197.08073	1.6
201.12640	1.2
207.08125	3.9
219.13799	1.0
222.06656	1.4
224.08179	1.2
224.10266	0.9
225.09216	1.2
235.07657	1.3
239.07092	1.4
252.10249	1.6
253.08662	3.5
254.11740	1.7
255.06717	1.8
257.08008	1.1
261.14929	1.4
265.08612	2.4
269.10284	2.3
269.12909	4.5
270.11176	5.0
283.09576	2.2
285.11118	1.4
297.06204	3.9
297.11420	2.8
298.10648	1.9
315.04926	1.7
315.08392	2.4
315.14117	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	315.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.0
55.01876	1.0
55.05495	0.6
57.03423	0.9
57.80986	0.4
58.23986	0.4
61.02921	0.5
61.29873	0.5
69.03434	3.1
69.07058	0.5
69.93638	2.0
79.01867	2.7
79.05511	0.5
81.03415	5.4
85.02898	2.7
86.09649	0.5
91.05470	1.3
95.04972	0.5
97.02903	2.1
98.21513	0.5
98.97626	0.5
99.04477	0.5
107.01314	1.7
107.04953	5.0
109.02888	2.7
113.55190	0.4
118.06510	1.2
118.76354	0.5
119.07326	5.6
120.08158	0.7
121.06563	0.5
123.04420	0.7
125.02377	2.4
127.03912	2.9
131.04977	0.4
134.06039	0.7
137.05962	0.6
143.03391	4.6
148.07594	0.5
153.01833	51.0
153.08867	0.8
154.02147	1.3
156.38559	0.4
165.84988	0.5
167.08537	0.6
171.02875	2.1
179.08571	1.8
183.08119	1.5
191.07063	0.7
193.06514	0.4
195.08073	0.5
199.08797	0.6
207.08067	2.5
209.93996	0.4
223.07404	0.6
224.10602	0.4
227.08244	0.6
241.09848	0.6
252.10229	0.9
253.08614	1.6
254.11848	0.7
255.11385	0.8
257.04492	0.4
257.08069	1.2
269.12811	1.9
270.11267	3.2
297.06055	2.6
297.12244	0.9
298.10889	0.6
315.14117	100.0
316.14557	2.1
325.09531	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1335
Annotation	3-{(3E)-4-hydroxy-6-oxo-3-[(2-phenylethyl)imino]cyclohexa-1,4-dien-1-yl}-L-alanine
Peak:m/z	Relative Intensity
53.69729	1.1
55.05507	9.0
62.72602	1.3
67.05514	2.0
69.03427	3.3
69.07076	1.7
71.58347	1.4
79.01852	3.5
81.03419	4.6
81.07059	1.6
82.06569	1.6
83.04979	14.7
84.08134	1.0
85.02890	3.1
91.05487	1.7
97.02910	5.3
100.07590	2.7
101.06011	8.3
105.07038	1.8
107.01302	1.8
107.04913	1.2
107.08570	1.1
109.02895	3.4
109.10147	1.6
111.04474	6.2
115.05450	11.6
117.05765	2.5
118.06534	9.6
121.02839	1.4
124.07596	1.1
125.02296	2.0
127.03931	2.4
128.05214	1.1
129.05511	5.5
130.06523	31.3
132.08089	27.5
132.08833	0.6
136.07382	1.3
137.05972	2.6
140.07037	2.5
142.06514	11.1
143.03392	3.8
144.08093	5.1
146.05978	17.9
147.06480	2.2
151.03868	1.5
153.01828	46.8
153.05353	1.5
154.02271	1.1
154.06529	1.6
159.09174	100.0
160.07570	6.0
161.05901	1.9
165.06982	1.7
168.06615	3.4
169.07643	8.6
170.06003	36.4
171.02946	3.3
180.08025	3.1
181.07597	3.4
182.08376	10.5
185.07173	8.5
187.08676	10.8
188.07068	20.3
194.09637	3.3
195.02853	4.5
195.09180	4.2
196.11168	2.4
206.09666	3.9
207.09007	1.5
208.05244	2.5
208.11203	4.6
209.10710	5.5
223.12305	29.9
224.10735	2.9
241.13298	1.9
251.07530	1.9
251.11792	32.5
252.10071	1.9
255.06616	1.3
255.10274	1.2
269.08206	2.9
269.12845	47.5
270.13297	1.5
279.11273	2.2
282.05075	1.2
283.09683	3.3
285.03787	2.0
287.05411	1.3
287.13879	25.6
297.07059	1.5
297.12378	15.8
299.05649	2.2
300.06125	1.8
315.04941	7.9
315.08612	12.5
315.13351	48.0
315.17160	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	315.0862
Annotation	Prosogerin B
Peak:m/z	Relative Intensity
53.03943	1.9
55.05497	3.4
56.05033	3.6
56.96562	2.0
57.07056	2.5
60.04525	72.8
61.04867	2.6
65.03925	10.0
65.85983	1.7
67.05508	10.4
69.03391	1.7
69.07066	5.1
70.23539	4.1
70.23923	3.1
71.08631	2.3
72.04511	6.3
79.05484	7.8
81.03377	2.6
81.07061	7.6
91.05475	24.0
93.03413	5.3
93.07038	4.8
94.07359	1.9
95.04971	2.0
95.08614	6.3
96.02116	2.1
105.03394	2.4
105.07037	3.5
107.08598	3.3
109.10129	2.7
111.04443	41.7
117.03336	1.9
117.07021	2.8
119.04955	19.5
121.10094	2.4
122.56280	1.8
123.04424	16.9
131.08569	3.5
133.02846	35.2
133.10112	2.0
134.99678	2.9
135.04410	58.4
137.05994	10.0
139.03897	23.8
147.04411	6.5
148.05157	8.6
149.02364	3.0
149.05949	11.1
151.03903	44.4
153.01811	12.6
165.05476	19.6
167.03406	29.2
169.06491	2.8
175.03894	5.6
193.04945	36.8
197.05943	2.9
227.07030	5.1
255.06493	5.3
278.24673	2.3
279.25128	3.7
287.09161	6.7
296.25745	4.4
297.07718	2.0
297.26056	2.1
300.06454	2.5
314.26974	10.4
315.08621	100.0
315.27139	12.2
316.08829	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	315.0863
Annotation	7,4'-Dihydroxy-3',5'-dimethoxyisoflavone
Peak:m/z	Relative Intensity
52.09981	0.8
53.00295	1.0
53.03931	0.8
54.78429	0.6
55.01861	0.8
55.05519	1.6
56.05033	1.0
60.04523	11.6
65.03940	5.4
65.21693	0.8
67.05495	6.2
68.99785	2.5
69.03394	0.9
69.07061	1.1
69.57438	6.5
79.05123	0.8
79.05500	7.4
80.05014	0.9
81.03423	1.4
81.07044	2.0
82.04194	1.4
91.05466	2.7
93.03401	8.0
93.07041	2.1
95.04974	2.0
95.08602	2.0
105.07060	0.9
107.04960	2.2
110.03664	2.5
110.06062	1.6
111.04446	2.1
116.98574	0.9
121.02843	3.5
121.10152	1.5
123.04445	3.0
125.05983	1.6
133.02834	2.8
134.99663	1.8
135.04416	5.2
137.05943	0.9
138.03125	16.1
141.07011	0.9
147.04375	1.1
150.03096	0.9
151.03903	61.8
152.04651	2.2
153.01935	3.6
153.05464	100.0
154.05876	1.0
159.08203	0.8
159.11740	0.7
162.03075	1.8
163.03938	9.0
165.05478	16.3
168.05672	0.9
169.06453	1.0
175.03912	7.6
177.05502	3.1
178.06264	3.4
179.27211	0.8
187.07466	0.7
194.83015	0.7
196.05139	1.0
196.16252	0.7
197.06020	3.1
211.07552	1.5
225.05518	2.3
226.05927	1.2
227.07001	2.7
239.07039	1.1
240.07869	0.8
253.04956	2.4
254.05620	1.3
255.06471	2.7
257.08142	4.5
267.06693	1.0
269.08215	1.2
278.24802	2.7
279.25156	3.4
282.05081	1.9
283.05966	2.9
285.07578	4.9
287.05261	1.0
290.46417	0.7
297.07611	2.4
297.25864	1.0
300.05920	1.7
315.08539	12.6
315.26917	0.9
333.08530	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0859
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
52.25865	1.0
54.11759	1.1
55.05520	0.9
61.56339	1.0
67.05499	1.5
67.33693	1.0
68.99804	1.6
69.03427	2.2
69.94231	3.4
69.94668	2.9
75.11803	0.9
79.01852	1.9
81.03421	3.0
85.02905	1.5
91.05499	1.5
97.02899	1.1
106.10269	0.9
107.08594	1.0
109.02864	1.7
109.10173	1.5
111.04439	2.3
115.67789	0.9
119.04963	3.8
121.06505	4.5
125.02351	1.7
127.03924	2.6
127.44183	0.9
131.04956	1.3
133.02834	1.6
134.99644	2.1
137.05984	1.7
139.03891	2.8
143.03348	2.0
147.04405	1.1
148.05194	3.5
149.06041	1.4
151.03984	1.6
152.01083	2.2
153.01839	31.6
153.02864	1.1
163.03903	2.6
167.03403	12.9
171.02849	1.0
175.03874	7.5
179.78596	0.9
212.20129	1.1
212.87578	1.1
226.06299	1.6
227.07013	2.7
229.04924	1.8
240.04196	3.7
243.06541	2.5
244.07317	2.3
250.01372	1.0
252.50624	1.0
254.05800	2.2
255.06549	7.9
255.11258	1.1
257.04498	2.5
259.09631	4.8
265.08731	1.0
271.09778	1.2
272.06638	2.2
282.05206	2.0
283.09790	1.5
287.09036	1.9
300.06284	10.3
315.08624	100.0
316.09033	1.8
333.08569	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0861
Annotation	Bulbophyllanthrone
Peak:m/z	Relative Intensity
51.08845	1.1
51.33276	0.9
55.01870	2.1
69.07082	1.2
69.60962	8.4
72.77283	1.1
78.56161	1.2
79.05482	3.1
81.07069	1.2
91.05465	1.4
95.04974	2.9
105.07059	1.7
107.04954	65.2
109.02886	1.3
112.02420	1.0
118.04190	1.7
123.04425	9.8
128.06293	1.3
129.07028	1.9
134.03635	2.7
137.02332	5.0
138.03096	6.9
139.03873	1.5
141.06978	1.5
145.06468	1.3
147.04410	2.6
152.06123	1.4
153.01804	4.1
153.05457	41.9
153.06747	2.5
154.06200	1.4
156.05643	1.6
161.05974	1.7
163.03914	2.2
164.04713	2.8
169.06471	2.2
170.07201	1.6
173.05972	1.8
181.04985	1.1
181.06473	5.4
183.04533	1.2
184.05162	7.8
187.03908	2.4
196.05180	1.5
197.05965	18.6
198.06699	3.1
199.07426	2.5
200.04564	1.2
201.05501	4.8
209.06097	2.2
212.04709	15.3
213.05418	3.4
225.05434	13.1
225.10207	1.8
226.06244	17.1
226.08430	1.6
227.07010	10.0
229.05003	5.1
237.05469	4.3
239.03432	7.5
240.04178	4.0
241.04881	1.8
243.06508	1.8
244.07385	1.7
253.05006	6.7
254.05692	18.7
255.06487	17.3
255.11145	5.9
256.07272	3.7
257.04449	9.4
259.09677	23.7
265.05124	2.5
268.03589	2.1
269.08008	1.4
271.05975	3.7
272.06732	10.4
282.05222	14.7
283.05954	10.9
283.09323	1.7
285.03958	4.2
287.05872	1.9
287.09116	34.1
299.05469	3.5
300.06265	16.2
315.08591	100.0
315.13232	19.8
316.08984	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	315.0862
Annotation	Melannein
Peak:m/z	Relative Intensity
57.12938	1.3
57.59308	1.2
67.54968	1.3
68.15792	1.0
69.43535	8.2
69.43946	2.5
72.27455	1.2
76.77425	1.1
77.89503	1.1
84.73088	1.5
100.20267	1.1
107.04954	16.5
121.81293	1.3
123.04427	2.9
128.06247	2.7
147.04414	1.8
152.06198	1.2
153.01830	2.9
153.05484	6.5
153.06989	3.8
165.07028	1.7
168.05696	3.4
171.08095	1.7
175.03894	2.0
181.06407	6.2
184.05196	14.8
196.05157	2.6
197.05896	7.1
199.07541	13.6
200.04668	2.1
201.05486	3.5
211.04028	1.2
211.07542	5.7
212.04704	23.7
213.05487	2.2
223.03867	1.6
224.04736	3.4
225.05484	2.6
226.06233	3.2
227.07024	13.0
229.04958	3.6
237.05464	1.7
239.03444	2.2
239.07037	2.9
240.04283	7.2
241.04903	3.8
243.06500	2.0
254.05730	7.7
255.06532	65.2
256.07120	2.0
257.04465	7.7
259.09769	9.1
267.02820	1.9
272.06805	4.3
282.05164	3.5
283.06042	22.2
283.09610	3.8
285.03827	3.2
287.09232	6.7
300.06308	14.5
315.08636	100.0
315.11990	3.5
316.08786	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	315.0862
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
55.01833	0.3
68.99786	0.5
69.03392	0.4
70.71857	0.6
70.72250	0.6
90.79607	0.3
95.01315	0.4
96.82020	0.3
110.03642	0.4
111.04456	0.3
116.22368	0.3
123.00784	1.1
124.72323	0.3
131.04935	0.4
133.02892	0.4
134.03647	2.6
138.03107	0.7
139.03847	0.4
139.05429	0.6
144.05757	0.4
148.05202	0.7
150.37437	0.3
151.03896	0.6
152.00949	0.4
155.04895	0.6
156.05663	0.6
157.27264	0.3
163.03937	0.4
166.02614	0.4
167.03410	7.7
167.04857	0.7
169.01326	1.3
170.03621	0.4
171.04398	0.7
173.05952	0.5
175.03893	0.6
183.04370	0.7
184.03705	5.7
184.05225	1.0
187.07539	0.3
195.04404	1.0
201.05571	1.4
211.03841	0.8
212.04677	2.8
213.05391	0.5
215.07033	1.0
216.07782	2.2
221.17451	0.3
223.03877	0.6
227.06961	1.7
228.04201	0.5
229.04890	3.0
236.27837	0.3
239.03432	0.6
240.04160	4.4
243.04095	0.5
243.06534	7.3
244.07263	4.1
255.06535	5.9
257.04456	1.4
259.09671	1.9
267.02881	1.1
268.03674	2.2
271.06006	1.7
272.06732	3.0
282.05157	0.4
283.06009	6.0
285.03934	1.1
286.04465	0.5
287.09122	0.5
299.05499	5.9
300.06265	31.0
301.06479	0.6
313.27191	0.3
315.08603	100.0
316.09024	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0862
Annotation	KOPARIN 2'-METHYL ETHER
Peak:m/z	Relative Intensity
50.47673	0.4
54.16474	0.4
67.05488	0.5
68.99779	0.9
69.03425	0.5
69.07028	0.7
70.07859	1.5
74.05549	0.4
78.26519	0.4
79.01859	0.5
79.05479	1.1
81.03412	1.1
81.07047	0.7
83.04993	0.4
85.02899	0.7
86.21691	0.4
90.46178	0.4
91.05462	0.9
93.07001	0.4
93.14793	0.3
95.04939	0.9
95.08656	0.3
98.20855	0.4
103.05432	0.4
105.07065	0.6
107.04935	2.1
107.08610	0.4
109.02846	0.8
110.03648	0.7
110.62819	0.4
118.04160	1.7
119.04946	1.3
121.02891	0.8
121.06555	0.4
123.04421	1.4
125.02320	0.6
127.03963	0.5
128.06219	0.5
134.03618	2.7
135.04352	0.5
137.02328	9.4
137.05998	0.8
138.03117	0.7
139.03893	0.5
143.03406	0.7
145.10095	0.7
146.03632	4.6
147.04402	2.5
149.02321	1.7
150.03151	0.5
151.03891	0.9
152.06247	0.8
153.01833	9.6
153.02980	0.5
153.05458	1.9
153.06924	0.5
157.06544	0.5
161.06012	1.2
162.03044	0.6
163.03896	4.3
164.04686	1.4
165.07025	0.4
167.03381	1.0
167.08617	0.6
169.06459	0.7
170.07368	0.4
173.05916	0.6
176.04723	0.4
181.06526	1.1
184.05200	2.6
185.05936	0.7
187.03918	1.2
189.05429	0.5
191.03384	2.6
193.04997	0.9
195.07965	0.8
197.05962	6.6
198.06715	2.2
199.03955	0.6
199.07443	0.5
200.04704	2.0
201.05522	2.4
208.05183	2.3
209.05887	1.0
211.03856	1.0
211.07515	0.4
212.04646	6.4
213.05487	1.5
214.06287	0.6
215.03429	1.1
222.06784	0.6
223.07484	1.0
224.04686	0.6
224.08278	0.7
225.05452	6.4
226.06218	8.8
226.08464	0.5
227.06885	2.5
229.04936	2.2
236.04683	1.2
237.05540	2.7
239.03455	1.8
240.04195	3.3
240.07880	0.5
241.04852	0.7
243.06604	0.6
253.04959	5.4
254.05740	13.3
255.06516	7.2
255.10202	1.5
256.07190	0.5
257.04419	4.7
259.09686	1.0
265.04919	1.6
267.02921	1.5
268.03598	1.9
269.04434	3.2
269.07776	0.8
271.05988	4.9
272.06757	1.4
281.04495	1.8
282.05215	20.6
283.02771	0.8
283.06030	5.9
283.09637	2.8
285.03958	10.1
287.05606	0.5
287.09000	1.8
299.05447	4.1
300.06299	15.0
300.09485	0.6
315.08615	100.0
316.08917	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	315.0861
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
52.83836	0.5
64.18356	0.4
69.03415	1.0
70.05256	2.9
75.16846	0.6
75.17336	0.6
79.01824	0.8
81.03407	1.8
85.02894	1.2
93.07036	0.6
97.02876	0.9
109.02873	1.7
111.04414	0.7
119.04919	1.2
121.06487	1.9
124.01562	0.7
125.02335	1.4
125.36362	0.5
127.03918	1.4
133.02864	0.6
139.03894	0.9
143.03383	1.8
148.05165	1.9
150.03001	0.9
151.03925	0.7
152.01053	0.9
152.06169	0.9
153.01833	23.9
153.02879	0.8
162.03047	0.6
163.03871	2.9
167.03326	3.1
171.02893	1.1
173.05888	0.6
175.03902	1.5
176.04724	0.6
197.05923	0.9
198.06801	0.8
200.04709	0.8
201.05511	1.1
208.05106	0.5
212.04597	0.6
213.05405	0.8
225.05507	0.7
226.06262	3.1
227.07074	0.7
229.04941	10.8
236.04736	1.0
237.05530	1.6
243.06619	0.8
253.04942	1.3
254.05727	6.8
255.06502	2.3
257.04459	13.3
259.09512	0.8
264.18979	0.6
265.05057	1.5
272.06784	16.8
272.20099	0.6
281.04370	1.0
282.05225	5.6
283.05939	2.2
285.03925	2.6
299.05417	5.5
300.06274	49.0
301.06595	1.1
315.08615	100.0
316.08926	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0861
Annotation	Melannein
Peak:m/z	Relative Intensity
51.02396	0.7
53.03940	0.7
55.01859	1.2
67.05498	0.9
68.99766	0.8
69.03428	3.1
69.94305	1.5
69.94723	2.1
79.01843	3.1
81.03407	4.6
85.02885	2.1
91.05473	0.6
95.04958	0.7
96.07723	0.6
97.02869	1.4
99.04422	0.8
103.05444	0.6
107.01297	1.1
107.04955	9.3
109.02882	2.1
115.05453	0.9
118.04176	0.9
119.04905	1.0
119.08564	0.6
121.55893	0.6
123.04408	9.8
123.05216	0.9
125.02335	3.1
126.57314	0.6
127.03921	3.1
128.06224	1.8
129.07004	0.8
134.03589	1.1
135.04384	0.8
137.02344	2.5
137.06033	0.5
138.03152	0.7
143.03380	4.1
143.08595	0.9
147.04436	1.0
149.02313	1.4
152.06168	0.7
153.01823	53.1
153.05460	6.2
153.06929	1.7
156.05649	0.7
157.06560	0.8
160.52774	0.7
163.03902	1.3
164.04744	1.0
165.07025	1.6
168.05710	2.4
169.06421	1.4
171.02934	2.0
171.08093	1.9
173.05960	0.9
175.03871	1.7
181.06474	3.8
184.05199	12.1
185.06020	1.2
187.03873	2.0
193.05025	3.1
193.06503	0.5
196.05173	3.1
197.05984	8.3
198.06712	2.3
199.03972	0.9
199.07440	6.6
200.04633	1.4
201.05472	3.2
207.02913	0.8
209.06033	1.3
210.06743	0.7
211.03922	1.6
211.07509	5.0
212.04668	21.2
213.05435	3.3
215.03395	1.1
223.03931	0.6
224.04712	3.6
225.05479	7.1
226.06223	9.0
227.06996	10.0
228.04095	0.9
229.04932	2.3
237.05463	2.3
239.03360	3.6
239.07083	2.5
240.04181	6.1
241.04993	2.2
243.06680	1.3
244.07152	0.6
252.04222	0.7
253.04962	2.0
254.05707	9.4
255.06512	48.8
255.11037	1.8
256.07047	1.9
257.04416	4.8
259.09641	6.7
267.02887	1.0
268.03653	2.3
269.04465	0.8
269.12848	0.9
271.05927	1.4
272.06738	3.1
282.05194	8.2
283.06039	16.8
283.09244	0.9
284.06339	1.1
285.03879	4.1
287.09143	4.0
297.06015	1.4
297.12369	0.8
299.05460	1.0
300.06262	12.5
315.08618	100.0
315.12976	5.5
316.08893	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0862
Annotation	3,7-Dihydroxy-3',4'-dimethoxyflavone
Peak:m/z	Relative Intensity
55.05519	1.2
56.21609	0.8
56.96563	1.5
58.60716	0.9
63.73769	1.0
67.05522	1.3
79.05486	2.2
81.07057	1.5
91.05489	1.3
93.14892	0.9
95.04939	1.7
95.08589	1.3
105.07010	1.4
106.04969	1.4
127.47402	1.0
132.05748	1.7
134.03656	4.6
138.03140	2.8
149.02359	2.6
153.01807	1.8
153.05589	1.1
153.06946	1.4
155.58760	1.0
156.08446	1.5
161.06013	2.6
163.03911	2.1
167.03412	11.3
175.03870	1.4
175.88388	1.1
184.03694	3.6
212.04672	2.5
226.06262	1.4
227.07008	3.5
229.04796	1.3
240.04213	3.0
243.06544	14.5
244.07301	3.5
255.06522	9.4
257.04526	2.7
259.09601	1.4
271.06024	3.0
272.06793	2.0
283.05984	9.4
285.03867	2.5
299.05569	5.1
300.06293	35.6
301.06448	1.4
315.08621	100.0
315.11810	3.6
316.08920	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.086
Annotation	Bulbophyllanthrone
Peak:m/z	Relative Intensity
51.84970	1.6
53.90941	1.7
55.05497	3.4
59.69070	1.5
67.05491	5.4
69.03436	3.8
70.75314	1.5
71.03859	5.2
79.05490	6.0
81.03405	2.7
81.07037	3.6
83.08589	2.1
85.02895	2.5
85.06524	1.9
89.09032	1.8
91.05471	2.9
93.07019	3.8
95.04979	5.0
95.08607	4.4
97.02897	1.9
97.06558	1.9
98.01887	2.0
106.48203	1.7
107.04955	100.0
107.08594	1.7
117.06995	2.2
119.04906	2.3
119.08566	3.6
121.06503	2.9
121.10164	4.3
123.04408	14.5
127.03040	1.8
127.03917	2.0
128.06261	2.0
131.04930	4.4
131.08575	2.7
133.02879	2.3
134.03587	1.7
135.04475	2.5
135.08124	1.8
137.02258	2.0
137.05959	12.7
138.03107	11.5
145.06548	2.2
145.10126	2.3
146.03587	3.8
147.04411	2.5
151.03955	1.8
152.06245	3.1
153.01830	22.6
153.05467	64.5
153.06772	3.8
157.06511	2.9
159.11716	2.0
161.05994	7.0
163.03906	2.6
167.08514	2.6
169.06454	2.0
173.13280	2.0
181.06485	2.2
184.05199	4.4
191.07074	2.8
195.08104	5.6
195.84489	1.7
197.05980	5.2
198.06651	2.2
199.07520	3.6
201.05476	4.3
212.04735	8.9
213.05580	2.8
222.06847	1.8
223.07549	7.0
225.05557	3.6
226.06242	3.6
227.06973	12.2
229.04964	3.8
237.09064	1.9
240.07829	1.9
241.08679	1.8
243.06422	3.8
244.07057	1.8
251.07001	3.0
254.05783	4.0
255.06537	11.7
255.10204	7.1
256.07336	3.8
257.04507	11.9
259.09671	47.0
269.08069	3.4
271.05945	1.8
272.06824	15.4
282.05276	3.7
283.06384	3.9
283.09683	19.5
285.04019	3.2
286.08423	2.2
287.09143	57.6
300.06451	9.1
315.04953	5.3
315.08609	41.7
315.12485	11.8
321.63052	2.0
327.81250	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.086
Annotation	3'-Formyl-2',4',6',beta-tetrahydroxy-5'-methylchalcone
Peak:m/z	Relative Intensity
51.02386	0.3
53.03929	0.7
55.01852	0.7
55.96587	0.2
57.03435	8.5
57.27403	0.2
65.03929	0.3
67.05498	0.4
68.99776	1.3
69.03436	1.6
69.07052	0.3
69.64389	0.6
69.64789	1.3
71.04981	0.3
73.02893	0.4
79.01856	1.2
79.05483	0.4
81.03416	5.2
81.07046	0.3
83.01331	0.5
85.02900	22.5
91.05483	0.6
95.04942	0.4
97.02892	2.1
99.04432	0.4
105.07023	0.4
107.01311	1.6
107.04916	0.8
109.02207	0.4
109.02872	4.1
111.00780	0.9
111.04400	0.3
118.83060	0.3
119.07310	0.7
121.02855	2.1
123.04441	0.5
125.02344	4.8
127.03919	1.7
131.30804	0.2
135.00745	0.3
137.02316	0.8
137.05994	1.4
139.03937	0.4
140.07133	0.3
143.03377	2.2
146.03656	0.3
147.04407	0.5
148.07480	0.3
149.02379	1.4
153.01826	22.2
161.05981	0.4
162.05486	0.3
167.03410	1.5
171.02867	5.3
177.01828	1.8
195.02885	100.0
196.03168	0.7
197.05914	0.4
199.08617	0.9
201.05521	0.3
202.97021	0.3
203.15929	0.3
209.06004	0.4
212.04614	0.4
213.03909	1.0
225.05444	0.4
225.10332	0.3
226.06201	0.5
227.08394	0.4
227.11566	0.3
240.04070	0.3
241.13214	0.3
243.06454	0.3
254.05956	0.4
255.06671	0.4
255.11412	1.5
268.03918	0.4
269.04529	0.4
269.13055	0.6
273.07574	1.2
282.05252	1.0
283.06287	0.5
283.09665	0.7
285.03928	0.9
287.13760	0.3
297.06110	0.7
297.12292	0.6
299.05624	0.5
300.06116	1.3
315.08618	8.8
315.13315	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	315.0852
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53080	0.2
52.74854	0.2
53.86437	0.2
55.01902	0.3
55.65681	0.2
57.27806	0.2
61.60777	0.2
68.99828	0.7
69.03455	0.6
70.06613	0.3
71.58284	0.4
79.01887	0.5
79.05507	0.3
81.03406	1.2
81.07096	0.3
85.02936	0.5
89.04023	0.3
91.05491	0.3
94.07598	0.3
95.01377	0.2
97.02911	0.6
107.01350	0.3
109.02932	0.6
117.07133	0.2
117.75765	0.3
118.04133	0.3
121.06568	0.3
123.00109	0.3
123.00784	1.5
123.04488	0.4
124.01602	0.2
124.07594	1.9
125.02408	0.7
127.03996	0.2
128.06264	0.8
131.04916	0.4
133.02864	0.3
133.22327	0.2
134.03642	2.1
135.04446	0.4
135.27550	0.3
137.02332	1.8
138.03151	0.6
139.03986	0.3
139.05487	0.6
143.03491	0.8
144.49811	0.3
145.02866	0.6
145.06482	0.5
146.06145	0.3
147.58678	0.3
148.05272	1.0
148.07640	0.3
151.03944	0.5
152.01057	0.6
153.01828	9.9
155.04984	0.5
156.05753	0.7
161.06055	0.4
163.03947	0.5
165.01866	0.3
166.02658	0.2
167.03426	5.5
167.04959	1.1
169.01353	1.7
169.06529	0.3
170.02153	0.4
170.03639	0.5
171.02898	0.7
171.04349	0.4
172.03998	0.9
173.06052	0.7
175.03958	0.6
183.02960	0.6
183.04489	1.0
184.03722	5.5
184.05276	2.2
185.06055	0.5
187.03941	0.6
187.07620	0.3
190.04996	2.7
195.04471	1.0
199.07530	0.5
201.05499	2.0
211.03941	1.1
212.04681	3.3
213.05533	1.0
214.15488	0.3
215.07050	1.0
216.07773	1.6
217.05161	0.3
223.03963	0.7
227.06998	1.6
228.04173	0.5
229.04967	3.3
230.05560	0.3
239.03413	0.8
240.04166	5.9
240.06584	0.3
241.04880	0.7
243.06534	6.8
243.08965	0.5
244.07271	3.8
251.03351	0.3
255.06517	4.7
256.07123	0.3
257.04367	2.2
259.09702	1.8
265.08658	0.3
267.02866	1.5
268.03656	4.0
269.08206	0.3
271.06039	1.3
272.06805	2.8
283.06049	5.2
283.09515	0.6
284.03058	0.4
285.03979	2.1
287.05679	0.5
287.08896	0.5
299.05484	4.3
300.06274	41.0
301.06659	0.7
315.08597	100.0
316.05597	0.4
316.08978	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0852
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
52.53080	0.2
52.74854	0.2
53.86437	0.2
55.01902	0.3
55.65681	0.2
57.27806	0.2
61.60777	0.2
68.99828	0.7
69.03455	0.6
70.06613	0.3
71.58284	0.4
79.01887	0.5
79.05507	0.3
81.03406	1.2
81.07096	0.3
85.02936	0.5
89.04023	0.3
91.05491	0.3
94.07598	0.3
95.01377	0.2
97.02911	0.6
107.01350	0.3
109.02932	0.6
117.07133	0.2
117.75765	0.3
118.04133	0.3
121.06568	0.3
123.00109	0.3
123.00784	1.5
123.04488	0.4
124.01602	0.2
124.07594	1.9
125.02408	0.7
127.03996	0.2
128.06264	0.8
131.04916	0.4
133.02864	0.3
133.22327	0.2
134.03642	2.1
135.04446	0.4
135.27550	0.3
137.02332	1.8
138.03151	0.6
139.03986	0.3
139.05487	0.6
143.03491	0.8
144.49811	0.3
145.02866	0.6
145.06482	0.5
146.06145	0.3
147.58678	0.3
148.05272	1.0
148.07640	0.3
151.03944	0.5
152.01057	0.6
153.01828	9.9
155.04984	0.5
156.05753	0.7
161.06055	0.4
163.03947	0.5
165.01866	0.3
166.02658	0.2
167.03426	5.5
167.04959	1.1
169.01353	1.7
169.06529	0.3
170.02153	0.4
170.03639	0.5
171.02898	0.7
171.04349	0.4
172.03998	0.9
173.06052	0.7
175.03958	0.6
183.02960	0.6
183.04489	1.0
184.03722	5.5
184.05276	2.2
185.06055	0.5
187.03941	0.6
187.07620	0.3
190.04996	2.7
195.04471	1.0
199.07530	0.5
201.05499	2.0
211.03941	1.1
212.04681	3.3
213.05533	1.0
214.15488	0.3
215.07050	1.0
216.07773	1.6
217.05161	0.3
223.03963	0.7
227.06998	1.6
228.04173	0.5
229.04967	3.3
230.05560	0.3
239.03413	0.8
240.04166	5.9
240.06584	0.3
241.04880	0.7
243.06534	6.8
243.08965	0.5
244.07271	3.8
251.03351	0.3
255.06517	4.7
256.07123	0.3
257.04367	2.2
259.09702	1.8
265.08658	0.3
267.02866	1.5
268.03656	4.0
269.08206	0.3
271.06039	1.3
272.06805	2.8
283.06049	5.2
283.09515	0.6
284.03058	0.4
285.03979	2.1
287.05679	0.5
287.08896	0.5
299.05484	4.3
300.06274	41.0
301.06659	0.7
315.08597	100.0
316.05597	0.4
316.08978	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
55.01885	0.9
55.05522	0.8
56.96562	5.4
57.03447	2.9
61.02913	2.3
61.69179	0.6
69.03426	10.4
69.07082	0.6
69.44957	2.1
69.45387	3.5
70.06585	1.5
71.01342	0.7
71.04980	1.6
73.02907	1.9
74.06087	0.7
75.42717	0.6
77.00901	2.5
79.01849	6.1
81.03414	19.1
81.07027	0.8
82.06579	1.5
84.04524	0.9
84.08126	1.0
85.02908	10.5
87.04441	0.6
95.02000	0.7
95.04948	0.8
97.02898	6.6
98.97587	3.5
99.04452	2.5
100.07611	3.5
100.95907	0.7
101.00886	2.9
103.02411	0.8
107.01295	2.1
109.02870	10.6
109.03570	0.9
115.02444	0.7
116.07056	0.8
116.98616	2.3
119.01921	14.2
125.02341	7.1
127.03912	7.5
128.98643	1.0
131.00121	0.9
131.01888	3.5
133.03496	2.1
134.99648	2.8
137.02954	2.3
143.01936	2.9
143.03400	10.5
143.05493	0.9
144.99820	5.2
145.03459	2.1
145.04936	1.3
145.07137	0.9
146.99614	0.8
147.05014	1.2
149.01260	1.0
149.02986	1.2
153.01831	100.0
153.02794	3.6
154.02168	2.0
155.01872	1.6
157.03455	1.5
159.03310	1.1
159.05113	0.6
161.01297	0.7
161.01591	0.8
161.02960	7.2
161.06654	0.9
163.00938	1.3
163.02754	1.0
163.04022	1.0
164.07074	1.8
169.03494	0.8
171.01607	0.8
171.02892	4.3
172.99319	1.4
173.01405	0.7
173.02968	2.3
175.04530	0.9
177.00847	1.7
177.02489	2.4
181.03755	0.9
185.02948	1.4
187.00827	1.3
189.06088	2.1
190.95364	0.9
191.00409	1.1
191.04002	1.1
201.00720	0.8
201.06128	0.9
203.02238	1.2
203.03914	1.1
205.01961	1.3
205.03687	0.8
211.08269	0.8
213.06093	9.0
219.01970	2.1
220.04950	0.7
221.05124	1.1
223.02922	0.8
225.06129	2.7
227.00296	0.8
227.07713	0.7
230.99928	0.7
231.07147	1.4
232.96248	0.8
233.03609	1.7
237.02846	0.9
237.06126	0.8
243.07224	0.8
245.01427	1.3
252.10181	0.9
254.99834	0.9
255.07140	1.8
273.00992	2.0
290.96967	1.7
295.91922	0.6
297.06039	7.8
301.05768	0.9
315.09573	10.7
333.08801	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
55.01862	2.5
55.05510	1.0
57.03415	1.1
63.23824	0.8
67.05484	1.5
69.03435	6.7
69.07073	1.2
70.42548	1.0
70.42887	3.0
71.04977	1.0
73.02890	1.1
77.83366	0.7
79.01868	5.3
81.03416	15.4
81.07061	1.7
85.02883	4.2
88.01056	0.9
91.05476	1.0
97.02892	5.3
98.20781	1.0
99.04448	1.7
105.07040	1.6
107.01309	2.0
107.04964	1.6
109.02868	14.0
111.93436	0.8
119.04974	1.0
123.04418	1.4
125.02337	4.0
127.03902	6.7
131.04939	1.8
137.02338	2.3
137.05920	1.3
140.07076	1.5
143.03400	9.0
146.03589	1.8
147.04407	1.0
148.07588	1.5
151.03909	1.1
152.06221	2.3
153.01831	96.9
154.02165	1.0
156.05666	1.1
161.05946	4.9
163.03900	3.1
165.07013	1.3
167.03369	1.6
167.08621	1.8
169.06389	0.9
171.02858	3.7
177.07085	1.2
181.06480	1.0
184.05142	1.2
195.08098	3.7
197.05988	10.2
198.06740	2.4
198.09183	1.2
199.08621	2.9
201.05440	1.4
208.05247	1.4
211.03842	2.3
211.07466	1.4
212.04684	8.3
213.05450	2.2
213.10336	1.4
222.06633	1.3
223.07555	3.4
225.05486	10.5
225.10202	1.6
226.06212	16.1
227.06935	1.2
229.04919	1.8
237.05367	2.8
237.08943	1.1
239.03238	1.1
239.06996	1.1
240.04189	4.9
240.07819	2.7
251.06914	1.1
253.04915	6.2
254.05696	10.0
255.06572	10.6
255.11540	7.0
257.04440	2.4
265.05130	1.4
265.08582	1.4
269.08072	2.1
269.12695	2.2
271.06021	2.8
281.04343	1.4
282.05249	12.1
283.06036	5.4
283.09637	12.3
284.10373	1.9
285.03970	5.5
286.04834	1.2
297.05988	7.8
297.12234	1.9
299.05563	6.9
300.06311	12.8
300.09549	1.0
311.33408	0.9
315.08597	100.0
315.13098	28.4
316.08835	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	315.0708
Annotation	Norbergenin
Peak:m/z	Relative Intensity
51.02375	0.9
51.13392	0.3
51.90934	0.3
53.03930	1.5
55.01862	0.9
55.07312	0.3
57.03421	1.3
61.02916	0.7
65.02112	0.3
69.03428	6.8
71.04988	0.9
71.50510	0.7
73.02905	0.6
76.77406	0.3
79.01853	5.2
81.03416	17.5
85.02905	4.8
95.04936	0.3
97.02886	4.9
99.04449	1.5
105.06978	0.3
106.16291	0.3
107.01310	2.2
109.02873	7.9
121.06512	0.4
125.02337	4.5
127.03918	5.5
137.02367	0.6
143.03398	9.0
146.03551	0.4
146.72144	0.3
153.01823	100.0
154.02185	0.9
161.06027	0.5
163.03850	0.4
171.02872	3.6
181.04932	1.4
195.08179	0.4
208.66820	0.3
216.04155	0.5
223.07394	0.4
226.06093	0.4
254.05566	0.5
255.10222	0.6
282.05246	0.5
283.09628	1.0
292.10431	0.6
297.06046	8.2
298.06573	0.4
300.06213	0.6
315.08521	2.6
315.12073	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.5
53.03932	1.7
55.01871	4.0
56.96575	0.6
57.03433	1.0
62.55397	0.5
67.05498	0.9
68.99788	0.6
69.03422	5.9
69.07059	2.1
69.38700	0.6
71.04998	0.8
71.59049	0.6
73.02915	0.6
79.01858	4.6
79.05508	0.7
81.02977	1.1
81.03418	13.3
81.07042	1.0
85.02905	3.9
91.05463	1.4
93.07062	0.5
95.04938	0.8
95.08630	0.6
97.02875	4.0
99.04458	1.3
100.69325	0.5
105.07014	2.1
107.01321	2.5
107.04948	1.4
109.02880	7.4
123.00790	0.6
124.01591	0.7
125.02353	5.8
127.03931	5.3
128.06209	0.6
131.04974	0.6
131.08580	0.6
137.02341	8.0
137.05983	0.7
140.07068	2.0
143.03387	7.8
145.10054	0.8
147.04370	1.8
148.07565	2.3
149.02344	4.3
149.06004	0.9
152.06151	0.8
153.01828	100.0
153.02812	4.0
154.02226	0.9
154.06462	0.8
160.07521	0.9
161.05984	2.4
163.03896	2.4
164.04706	1.4
168.06612	0.8
169.06413	0.6
171.02888	4.5
173.06078	0.6
174.05556	0.9
177.05495	0.8
184.05162	1.3
185.05849	0.6
186.09140	0.8
187.03909	1.8
189.05495	2.5
191.07108	0.6
197.05957	2.6
197.10869	0.8
198.09361	0.6
199.08723	5.3
199.12340	0.8
201.05472	2.1
208.05229	1.0
209.05780	0.8
210.09196	0.7
212.04692	5.7
213.10277	1.3
214.10963	0.8
215.03404	3.7
222.06726	0.7
223.08928	0.8
225.05453	1.2
225.10248	2.5
226.06247	2.7
226.08398	0.8
227.08229	1.9
227.11803	1.4
229.04950	2.7
237.05453	1.5
240.04156	4.0
241.08669	0.7
241.13329	0.9
242.10432	1.0
251.08066	1.2
252.10352	0.6
253.04985	1.1
254.05730	3.8
255.06714	3.5
255.11372	10.2
257.04416	8.5
265.04916	1.0
267.02954	0.7
268.03696	1.9
269.04605	0.9
269.08658	1.4
269.12680	3.3
271.14536	0.9
272.06793	8.7
273.12415	0.7
279.07663	0.8
282.05219	3.8
283.06067	6.4
283.09631	4.0
285.03952	19.2
287.13858	0.7
297.05875	6.4
297.08746	1.5
297.11792	2.9
299.05569	1.9
300.06284	31.9
301.06363	0.9
315.08643	89.7
315.13306	37.0
316.08936	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21553	0.3
51.02369	0.4
52.01369	0.3
53.03939	0.8
55.01862	0.6
57.03428	1.4
57.33728	0.3
61.02939	0.4
65.03938	0.4
69.03429	4.7
69.07061	0.5
71.04984	0.6
71.58562	0.6
79.01855	5.8
79.05484	0.7
81.03411	7.8
81.07049	0.7
85.02906	5.4
91.05473	0.7
93.07032	0.5
95.08616	0.6
97.02883	2.7
99.04465	0.8
105.06999	0.5
107.01314	2.4
107.04945	0.4
109.02891	5.5
125.02346	5.4
127.03905	5.8
131.04881	0.6
134.03642	0.3
137.02324	0.6
137.05975	0.8
143.03391	9.6
147.04500	0.4
149.05930	0.5
153.01826	100.0
153.02814	3.9
154.02203	1.5
161.05949	0.8
163.03841	0.5
171.02876	4.5
195.02917	1.2
197.05949	0.8
212.04710	0.6
223.07556	0.6
225.05496	0.9
226.06314	0.5
240.04205	0.4
240.07910	0.6
241.09753	0.5
253.04869	0.5
255.06622	0.7
255.10286	0.6
257.04425	0.4
259.10803	0.8
269.04459	0.5
269.14761	0.4
272.06921	0.4
282.05249	0.9
283.06201	0.5
283.09616	2.0
297.06055	2.4
299.05447	0.4
300.06229	2.2
315.04883	0.7
315.08475	8.8
315.13110	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	315.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.6
53.03931	1.6
55.01856	1.1
55.05531	0.5
55.14646	0.4
57.03436	0.6
59.12682	0.4
61.02921	0.7
64.03033	0.4
64.76765	0.4
69.03073	0.6
69.03429	6.7
70.06594	0.9
70.87114	0.5
70.87459	1.1
71.04971	1.5
79.01855	5.3
81.03415	11.5
84.04483	0.6
84.08163	0.7
85.02904	5.6
86.09715	1.2
93.07071	0.6
97.02895	4.2
99.04467	1.5
105.07008	0.7
107.01355	2.3
107.08590	0.4
109.02872	6.8
123.00785	0.5
125.02353	4.4
127.03919	5.3
131.08572	0.4
132.06265	0.4
139.11130	0.7
142.83780	0.4
143.03398	8.1
151.79750	0.4
153.01828	100.0
154.02132	1.3
155.01587	0.8
171.02901	4.4
184.07350	0.6
297.05991	5.9
315.07495	0.8
315.20419	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0707
Annotation	Norbergenin
Peak:m/z	Relative Intensity
51.02371	0.7
51.03109	0.5
53.03940	1.2
55.01859	0.7
57.03443	0.7
61.02893	0.6
61.31302	0.6
69.03432	5.4
69.42022	1.9
69.42441	3.6
79.01850	5.1
80.21838	0.7
81.03413	13.3
85.02919	5.2
97.02917	3.1
97.12162	0.7
99.04459	1.2
107.01317	1.7
109.02880	7.2
125.02335	5.5
126.98468	0.6
127.03889	4.9
143.03375	8.4
153.01826	100.0
154.02182	1.4
157.69176	0.6
171.02870	4.7
223.45294	0.7
272.31152	0.7
297.06091	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	315.071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.6
53.03934	1.4
55.01861	0.6
55.05499	0.7
56.05031	0.6
56.96557	0.7
57.03435	1.2
59.76452	0.3
60.08152	0.6
61.02913	0.5
62.51256	0.4
67.05502	0.8
69.03082	0.4
69.03436	6.1
69.07067	0.5
70.06580	1.1
71.04973	0.5
72.04507	1.1
72.08150	0.7
74.06073	0.7
76.05112	1.8
79.01846	5.3
79.05476	0.7
80.07924	0.4
81.03414	10.9
81.07034	0.6
84.04495	0.4
84.08155	0.8
85.02903	5.1
86.09696	1.2
88.04019	0.4
91.05473	1.0
93.07042	0.4
94.98847	0.4
95.04945	0.8
95.08583	0.5
96.05597	1.0
97.02888	3.9
98.21511	1.0
99.04455	1.4
102.05561	0.5
104.10719	1.9
105.07040	0.4
106.06543	0.4
107.01324	2.4
107.04961	1.9
108.05262	0.5
109.02878	6.5
109.06532	0.4
110.07171	0.4
118.05026	0.4
119.07325	3.1
123.00856	0.4
123.04408	1.2
125.02351	4.7
127.03925	5.8
134.06013	0.8
136.07503	0.4
137.05946	0.4
139.11165	1.5
143.03391	8.4
146.71642	0.4
147.04388	0.7
149.81444	0.3
153.01825	100.0
154.02156	1.4
160.72224	0.4
163.03940	0.7
165.05612	0.4
171.02890	4.6
177.09746	0.8
179.03380	0.5
184.07343	1.2
195.03111	0.5
196.14491	0.9
205.04979	0.6
209.04544	0.5
210.02882	0.6
214.15463	1.0
225.10220	0.3
252.10246	0.4
254.11626	0.6
255.06586	0.4
269.08221	0.4
269.12830	1.3
297.06006	4.0
297.19214	1.8
315.08282	1.5
315.13611	1.5
315.20313	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0708
Annotation	Norbergenin
Peak:m/z	Relative Intensity
51.02367	0.7
53.03942	1.4
53.83486	0.2
55.01862	0.5
56.96560	0.3
57.03423	1.0
61.02921	0.6
61.64485	0.3
64.69369	0.2
65.30492	0.2
69.03427	7.0
70.64526	0.9
71.01344	0.3
71.04982	0.8
73.02908	0.4
74.07471	0.2
79.01857	5.1
81.03417	15.9
85.02904	4.8
91.79053	0.3
97.02890	4.1
99.04455	1.1
101.02376	0.3
107.01311	2.1
107.04922	0.6
109.02879	8.5
109.04029	0.3
123.04461	0.4
125.02356	4.7
127.03917	6.0
131.04924	0.3
134.06833	0.3
137.05940	0.4
143.03397	8.3
153.01825	100.0
153.02817	4.0
154.02151	0.9
170.01892	0.3
171.02911	3.3
191.03444	0.4
195.02942	0.4
212.04666	0.3
222.13036	0.2
225.10216	0.6
255.06729	0.4
269.08078	0.6
283.05908	0.3
283.09717	0.6
296.65955	0.3
297.06006	8.1
297.10910	0.3
303.05121	0.5
315.08502	2.0
315.12393	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0496
Annotation	Wedelolactone
Peak:m/z	Relative Intensity
55.70139	0.6
56.32854	0.4
58.95973	0.5
62.49212	0.5
68.99786	4.1
69.03413	0.5
70.89796	0.7
70.90131	1.1
79.01859	0.6
81.03410	0.6
81.07036	1.2
81.08112	0.5
91.05485	0.8
91.99696	0.5
95.04930	1.0
103.05451	0.6
105.07027	1.1
105.78645	0.5
107.04961	5.3
107.05643	0.8
115.05436	0.9
117.07005	0.6
119.04981	0.6
123.04418	1.2
123.80665	0.5
128.06213	1.4
129.06993	1.4
131.01285	1.9
131.04944	1.2
131.08574	0.5
131.62903	0.5
131.89905	0.5
134.03600	1.1
135.04425	1.2
135.08008	0.6
139.03882	0.9
145.06491	0.9
147.04413	2.0
149.05876	0.8
152.06226	0.9
153.01849	2.7
153.05452	3.8
153.06525	0.7
154.89638	0.5
155.04951	1.2
157.06439	2.3
159.08052	0.8
160.05222	2.0
160.47964	0.5
161.05925	1.1
163.03914	6.3
169.06427	1.4
170.03601	0.7
171.04366	1.5
171.08112	0.7
172.05232	0.7
173.05994	1.4
175.03905	1.3
176.04675	1.0
177.05350	0.6
181.05106	1.0
181.06490	1.3
183.04404	1.6
184.05157	3.0
185.05943	3.6
187.03905	1.5
187.07558	1.3
188.04590	1.1
193.01318	1.0
197.05984	3.6
198.06807	1.9
199.03847	1.9
199.07544	2.2
200.04700	1.1
201.05330	2.7
202.02617	2.1
202.06233	1.0
203.03392	0.6
203.06839	0.6
212.04723	2.8
213.05460	4.3
215.03391	2.3
215.07024	1.0
216.04214	4.8
217.08589	5.3
223.03853	0.8
225.05420	1.8
226.06270	3.0
227.03412	2.7
227.06952	3.8
228.04092	1.4
229.05013	3.3
230.05806	1.6
237.05424	2.1
239.03270	0.7
240.04137	1.5
241.04884	2.3
241.08620	0.8
243.02890	1.2
243.06532	1.3
244.03651	26.9
245.04149	0.7
245.08073	4.9
253.05026	2.5
254.05754	6.0
255.02866	9.5
255.06503	6.3
256.07141	0.6
257.04413	5.4
259.05994	4.5
259.09628	2.4
265.04929	2.0
269.04456	1.9
269.07932	0.9
270.05264	0.7
271.02328	5.6
271.05917	1.6
272.03140	7.1
272.06488	1.2
281.04266	0.8
282.05176	5.9
283.02408	54.5
283.05884	7.6
283.09097	1.2
284.02808	2.9
284.06030	0.6
285.03934	3.6
285.07538	1.5
287.05453	9.4
287.09073	5.4
297.07437	0.8
299.05450	3.5
300.02615	19.9
300.06247	6.7
301.02893	0.9
301.06735	0.6
315.04947	100.0
315.08600	41.3
315.12384	2.1
316.05286	3.4
316.09061	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	1.5
69.74702	0.3
69.75102	1.1
81.97610	0.2
84.96025	0.3
98.20789	0.2
98.97570	1.3
101.00896	0.2
104.42516	0.2
106.90664	0.2
116.98605	0.9
119.01907	1.3
122.97893	0.6
123.98618	0.5
128.98627	0.5
131.01868	0.3
133.03438	0.5
134.99789	1.5
137.02980	0.7
138.00211	0.2
140.98709	0.9
145.03461	0.4
146.01659	0.2
146.99646	0.7
153.00923	0.9
157.01793	0.2
158.99864	1.7
159.26576	0.2
161.01340	0.2
162.99399	0.9
164.98872	0.3
170.99753	0.3
174.97633	1.3
176.02544	0.3
177.00948	47.6
178.01047	3.0
179.00682	0.3
180.00459	0.2
180.50603	0.3
181.00414	0.2
182.99832	1.5
186.99210	0.2
189.00931	1.9
191.02510	0.4
192.98732	2.0
193.00374	0.3
194.98424	0.3
195.02032	1.1
197.01364	2.9
200.02493	1.0
201.00940	20.8
202.01103	1.5
203.02548	2.5
204.02768	0.2
205.00432	2.6
206.99826	0.3
208.99641	0.2
213.00992	0.6
215.02507	44.1
216.02699	2.4
216.98735	0.3
217.04099	0.7
219.02003	70.7
220.00005	0.3
220.02103	5.2
221.02191	0.5
223.01436	0.3
224.02582	0.6
225.01001	0.5
227.00667	0.2
227.02493	4.6
229.00433	0.3
229.04099	1.2
231.02026	1.1
233.03561	100.0
234.03693	6.5
235.03990	0.7
237.02974	0.4
238.04089	1.6
242.01505	0.3
242.03633	1.9
243.02013	10.9
244.02232	0.6
244.98199	0.7
245.03575	18.6
246.03726	1.2
247.01492	0.7
247.05151	0.4
251.04593	0.3
255.01967	1.3
256.02490	0.3
256.05170	3.4
257.03333	1.4
258.02823	0.2
260.02271	0.5
261.03073	14.4
262.03247	1.1
263.04626	33.8
264.02176	0.3
264.04764	2.5
264.53046	0.2
264.99200	0.3
265.05121	0.2
266.03561	0.5
268.05283	0.7
271.01489	0.5
273.00360	0.2
273.03043	5.0
274.03424	0.4
275.04697	1.1
279.04202	2.1
282.03790	0.5
282.53497	0.2
284.04715	0.3
285.03040	0.8
286.06201	1.5
288.99411	0.2
289.02527	0.7
291.04092	43.5
292.04300	2.7
294.03854	0.4
294.53766	0.2
296.04669	0.3
303.04175	2.1
303.54190	0.5
305.05725	0.6
309.01636	0.7
309.05139	10.1
310.05264	0.5
314.05701	2.8
315.00479	0.3
315.04050	0.5
315.07498	0.6
327.20630	0.2
333.01492	1.0
333.05219	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2687
Annotation	(+)-Prosopinine
Peak:m/z	Relative Intensity
51.37819	0.9
53.03938	1.3
55.05512	5.0
56.05020	3.7
56.07684	0.9
57.07069	1.3
60.04524	100.0
61.18628	0.9
65.03928	1.7
66.07073	0.9
66.67308	0.9
66.92831	0.9
67.05505	14.3
69.07069	5.4
69.91948	6.6
71.08626	1.3
72.04523	10.9
74.06068	1.1
79.05494	10.5
80.05034	2.0
81.07056	12.0
82.06563	1.5
82.43791	1.0
83.08602	3.2
90.05516	1.7
91.05476	10.5
93.03445	1.3
93.07043	12.1
94.06557	2.3
95.04948	2.0
95.08600	7.8
97.10123	1.2
100.97758	0.9
102.05430	1.1
105.07012	4.9
107.08569	3.7
109.06529	1.2
109.10159	2.9
110.06039	1.5
111.04431	9.5
116.98596	1.4
117.06982	2.5
118.32739	1.0
119.04916	2.6
119.08593	2.2
120.08102	1.8
121.10107	2.8
123.04399	3.5
123.11672	1.2
125.02405	1.2
131.08537	1.9
133.02867	7.6
134.99622	2.0
135.04413	13.2
135.11684	2.7
137.05977	2.6
139.03894	4.4
148.05186	2.6
149.05966	3.4
151.03880	7.6
153.01793	3.5
165.05457	3.5
167.03455	5.7
175.03874	1.6
193.04921	8.1
219.21008	1.3
248.23634	1.4
278.24872	9.9
294.61581	1.2
296.25882	9.7
314.07352	9.1
314.23199	1.9
314.26880	32.5
315.08618	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	314.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	12.2
56.05030	6.9
56.96569	4.2
57.07061	7.4
60.04524	94.3
65.03935	8.1
67.05498	35.3
68.05044	3.3
68.57505	3.5
69.07072	6.9
70.09456	11.3
70.09869	6.8
70.66602	3.3
72.04501	7.6
75.72108	2.9
79.05480	23.0
80.05010	13.9
81.07053	31.2
82.06586	8.1
83.08623	5.3
83.20696	3.6
86.06062	5.7
91.05473	12.9
93.03406	6.4
93.07050	19.7
94.06586	7.2
95.04981	15.8
95.08610	14.3
97.06521	6.4
98.06101	5.5
105.07027	8.6
107.04970	7.4
107.08556	5.6
109.10139	10.2
110.06039	12.5
112.07603	5.3
116.98716	4.3
117.07024	4.9
119.08563	5.1
121.10124	5.2
123.04433	28.2
125.06020	8.6
131.08617	7.4
134.99654	6.0
135.04407	10.5
135.11745	3.9
135.13092	3.4
137.02306	3.9
137.05959	3.9
138.03102	4.6
144.10211	6.2
145.10138	4.2
147.04408	7.2
149.39795	3.5
151.03871	17.9
153.01843	8.8
153.05470	26.1
163.03880	16.5
165.05470	25.7
168.37486	3.7
175.03882	3.7
177.69196	3.1
181.04956	100.0
199.07602	5.8
205.05011	6.9
225.05428	4.2
226.06120	3.8
227.07053	5.5
228.54639	3.4
253.05048	3.2
255.06622	5.3
257.08038	31.9
260.23712	3.7
267.06433	5.8
269.04135	3.8
278.24768	45.1
283.06116	5.0
285.07602	19.7
290.94733	4.1
296.25906	10.1
297.07489	7.9
314.07495	18.9
314.26862	15.5
315.08667	15.9
318.23474	3.3
333.19028	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	314.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03418	2.6
69.27603	16.8
69.28024	6.1
70.25520	1.8
78.03758	2.2
84.08164	2.7
91.05459	2.9
102.03745	2.2
105.07011	4.2
105.50092	2.0
107.04956	100.0
108.05302	3.6
117.08589	1.9
123.04393	5.5
124.04804	4.1
127.76694	1.8
133.06488	73.7
147.08023	5.9
149.07454	6.6
150.28835	2.1
153.01834	13.1
175.07545	15.8
193.08684	11.2
195.02858	9.8
208.33604	2.1
220.76315	2.1
315.08508	6.2
315.84738	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.01865	0.9
56.96556	0.6
67.05501	0.7
69.07065	1.3
71.58334	0.7
71.58765	0.5
79.05483	1.5
81.03436	0.5
81.07043	1.7
91.05477	9.3
93.07040	22.0
95.04961	4.3
95.08600	1.8
97.06517	1.1
98.97553	0.9
103.05463	11.1
105.04533	1.2
105.07009	0.6
107.04964	1.0
107.08585	2.5
109.10194	0.7
121.06502	100.0
122.06846	1.2
133.10110	0.6
135.11690	5.6
135.43016	0.5
138.09131	1.9
140.64532	0.6
149.13239	1.2
152.14342	2.8
161.09561	0.6
177.12712	1.1
186.90704	0.6
194.15424	3.1
236.39642	0.6
264.45901	0.6
272.20084	8.8
314.21130	27.3
315.08557	1.3
315.21613	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.05516	0.5
56.96561	1.3
57.03420	0.5
61.01143	1.7
61.02912	0.6
65.18939	0.4
69.03431	3.1
69.70062	2.9
70.06585	2.7
73.02934	0.6
79.01846	0.6
81.03412	1.4
84.04506	0.9
84.08153	0.5
85.02904	2.6
86.99065	0.5
95.06076	0.9
97.02893	49.1
98.03210	0.4
98.97586	2.2
108.08105	1.2
109.02848	0.7
115.08712	0.5
116.07085	0.9
116.98621	1.4
119.01780	0.4
119.03555	0.9
121.06489	2.0
124.07581	0.4
127.03926	1.1
134.99675	1.0
135.05417	0.8
136.06186	100.0
137.04564	1.1
143.01633	3.3
143.03375	0.7
146.99605	0.6
148.06224	0.9
152.07072	1.3
152.10771	0.6
153.01846	6.0
161.02670	1.1
162.07713	0.6
162.99001	0.4
164.05696	7.2
164.07005	0.8
177.00626	0.7
178.07251	3.6
179.03712	2.4
198.88705	0.4
199.11943	0.8
217.13034	0.5
219.01704	0.5
220.08263	0.4
232.57503	0.5
237.02876	0.7
248.07722	0.5
250.09370	0.5
270.21738	0.4
278.07172	0.7
295.71564	0.4
296.08194	3.1
296.10986	0.5
297.06027	0.6
310.85510	0.4
313.27710	0.4
314.09171	5.7
314.12311	1.5
314.18036	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	0.9
53.20074	0.5
55.05511	6.4
57.03439	11.8
57.07076	49.0
59.05001	0.5
60.30395	0.5
67.05502	9.5
69.06733	0.5
69.07069	8.4
70.08470	0.4
70.30097	1.0
70.30496	1.0
71.08632	31.2
71.27129	0.4
79.05495	0.8
81.07059	13.3
83.08616	8.5
85.06534	1.0
85.10180	17.1
86.66123	0.5
89.06021	1.3
93.07021	0.9
95.08604	15.7
97.10162	4.6
99.11721	1.3
103.07577	1.0
109.10160	6.3
111.11746	0.8
123.11684	2.8
125.13265	0.5
137.13249	0.8
151.14784	0.5
153.81392	0.4
169.07910	0.4
189.17746	0.5
239.23727	2.0
246.51497	0.5
257.24713	2.3
313.07043	0.9
313.27365	100.0
314.27664	3.0
314.34100	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05307	0.9
55.05514	10.7
57.03439	25.6
57.07076	71.7
59.04982	1.7
67.05505	14.2
67.81084	0.8
69.07066	14.5
71.08633	47.5
79.05477	2.1
81.06583	1.3
81.07056	22.5
83.04993	1.1
83.08617	16.0
85.10182	26.1
89.06027	4.2
91.05496	1.7
93.07039	2.1
95.08609	29.2
97.06521	0.9
97.10178	7.3
99.11726	2.4
102.53953	1.0
103.07579	3.3
105.07040	2.2
109.10153	16.5
111.11738	1.9
121.10163	1.3
123.11715	6.4
127.67947	0.9
137.13275	2.8
145.10161	0.9
151.14857	1.2
229.25853	1.2
234.12003	0.9
239.23685	5.5
257.24802	5.9
270.26498	1.0
285.36237	1.0
313.27377	100.0
314.27686	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	9.0
57.03439	17.5
57.07075	56.6
67.05235	0.8
67.05511	9.5
69.07067	10.3
69.97158	2.4
69.97571	1.5
71.04990	0.9
71.08633	37.9
72.08939	0.8
81.07059	14.4
82.98608	0.9
83.08620	10.3
85.06562	1.0
85.10184	16.2
88.43796	0.7
89.06015	2.2
89.28957	0.7
93.07024	1.3
95.08608	20.9
97.10149	4.8
99.11713	0.9
103.07568	1.3
109.10145	9.4
111.11701	1.5
121.10106	0.8
123.11733	3.8
137.13292	1.5
151.23192	0.9
232.25284	0.8
239.23753	2.6
257.24823	2.6
313.27374	100.0
313.36688	2.2
314.27676	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	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23809	0.9
55.05505	8.4
57.03440	23.2
57.07076	78.4
58.07393	1.1
58.56244	1.1
59.33667	1.0
60.04076	1.0
64.71960	1.2
67.05507	16.5
68.27970	1.0
69.07064	11.7
70.03873	6.3
71.08633	49.3
79.05493	1.4
80.80184	1.0
81.07062	18.8
83.04984	1.2
83.08622	16.0
85.09723	1.6
85.10190	24.1
89.06020	4.8
93.07035	2.9
95.08611	29.4
97.10169	7.6
99.11700	1.7
100.99883	1.1
103.07585	2.6
109.10152	15.6
111.11739	1.4
111.76046	1.2
114.29555	1.1
117.09131	2.1
123.11693	5.4
135.13776	1.2
137.13261	1.8
177.92642	1.1
178.97493	1.1
239.23718	3.2
257.24753	7.7
275.25912	1.3
313.27365	100.0
314.27646	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	313.2373
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
51.99405	5.3
55.01864	19.5
55.05510	38.4
56.33324	5.1
57.03434	12.6
57.07067	23.6
60.04528	8.3
64.20490	5.2
67.05178	6.2
67.05506	90.2
69.07073	32.5
71.04993	26.2
71.08245	6.6
71.08634	86.2
71.31715	11.8
73.35371	5.3
79.05480	40.4
81.07060	79.5
81.30360	5.1
82.06574	15.9
82.07396	6.3
83.04988	27.7
83.08621	33.2
85.06535	12.8
91.05487	26.5
93.07043	52.4
94.06509	6.1
95.04974	10.3
95.08604	40.5
97.06507	8.6
97.10186	27.3
99.08095	81.2
105.07022	21.8
107.08593	30.7
109.06489	5.9
109.10164	37.3
111.08082	11.2
116.83685	5.2
116.98554	7.6
117.07014	9.3
119.08556	19.6
121.10146	17.8
123.08102	5.4
123.11703	12.6
125.09621	15.6
127.10377	5.2
127.11231	16.1
131.08588	7.0
133.10126	18.4
135.11707	26.6
141.12749	94.6
143.08591	8.9
145.10130	15.2
147.11696	10.1
149.13272	9.3
151.11200	23.1
153.12740	9.8
157.10129	6.8
161.13254	22.0
163.11192	17.6
165.12688	12.5
169.12267	42.2
175.09660	5.6
179.14313	18.9
180.00754	5.0
181.12189	6.5
185.13264	6.0
189.11191	19.1
231.21098	8.9
241.19514	7.4
249.22203	6.5
259.20523	10.6
277.21613	91.8
295.22406	100.0
313.07138	24.1
313.10535	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	313.2372
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
55.05512	20.7
57.03439	25.7
57.07072	20.3
67.05502	92.3
69.07059	41.2
69.91590	25.0
69.92002	49.7
70.64997	12.1
71.04990	35.8
71.08616	15.0
72.54565	13.4
79.05483	58.9
81.07056	100.0
83.04996	16.4
83.08621	29.3
91.05495	36.1
93.07038	48.7
94.03838	11.5
95.04955	15.2
95.08592	54.1
95.65343	10.4
105.07036	27.4
106.10582	11.4
107.04993	12.7
107.08598	61.1
115.07573	11.4
117.07015	17.0
119.08595	14.6
121.10151	41.6
129.07054	12.0
131.08553	24.9
133.10188	23.9
135.04395	22.0
135.11671	15.9
147.11708	13.5
149.13258	26.8
151.70134	10.7
160.32863	14.2
165.05469	32.1
173.13298	47.7
209.15411	23.5
233.22595	10.7
240.03853	11.1
277.21671	46.1
313.07028	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01268	2.1
52.82805	2.0
55.05506	6.1
56.05033	4.9
56.72465	2.1
57.07073	16.0
58.97266	2.7
66.05438	2.4
67.05498	12.2
69.07055	8.2
70.06578	9.5
71.08636	19.8
71.59178	2.9
79.05495	4.7
81.07049	24.1
82.06572	2.4
83.08646	4.3
85.10186	14.5
87.05592	7.9
90.93518	2.0
91.05476	5.8
93.07019	10.8
95.08605	34.3
96.04496	13.5
98.06069	6.7
100.03982	17.7
105.07013	13.1
107.08573	15.8
109.10154	13.8
113.07143	34.7
114.05533	22.0
117.06972	3.2
119.08589	11.8
121.06529	2.1
121.10154	7.2
123.11755	3.3
131.08588	5.2
133.10139	7.1
135.11671	4.8
142.05003	33.2
143.08510	3.1
145.10097	7.2
147.11674	6.4
149.13264	4.3
155.14366	6.6
157.10173	3.4
159.07655	100.0
159.11665	10.6
161.13242	17.5
163.14720	3.0
171.11656	3.7
173.13298	6.0
175.14862	6.3
179.84485	2.2
185.13258	5.3
187.14818	5.4
198.18520	7.1
199.14771	3.8
199.38783	2.1
211.14877	3.1
213.16275	2.4
239.17935	3.5
255.21098	8.3
289.12900	2.3
295.24185	7.1
313.07013	12.6
313.21271	9.1
313.25229	29.0
313.28146	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	313.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	11.8
55.05496	14.7
57.07072	6.8
60.13476	4.2
62.16562	4.6
66.86552	4.6
67.05505	33.0
69.07059	18.9
71.08621	7.7
71.16748	11.9
79.05495	14.0
81.07047	28.6
83.04953	5.1
83.08615	11.6
91.05485	13.9
93.07046	21.0
93.60948	4.8
95.08602	18.6
97.06519	6.0
97.10194	13.4
99.08055	4.9
105.07048	8.8
107.08572	13.8
109.03814	4.7
109.10188	23.8
118.56184	4.4
119.08578	9.1
121.10125	12.1
125.09608	8.2
134.99677	7.8
135.11790	7.5
137.02377	6.4
137.05956	6.1
138.14865	5.0
139.11124	8.0
145.10123	6.2
147.11658	4.5
159.42476	4.7
165.01849	13.8
173.11809	5.9
182.02162	5.2
242.05705	9.2
249.22145	5.6
253.04994	6.4
253.08463	5.1
257.07928	5.4
277.21579	15.9
281.04532	12.1
282.04984	5.4
295.22543	7.7
297.03885	7.0
298.04773	28.6
313.07037	100.0
313.10452	6.3
313.25314	10.4
314.07419	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	313.1068
Annotation	67858-30-4
Peak:m/z	Relative Intensity
63.62748	0.4
64.53542	0.3
67.05472	0.5
68.99787	0.5
69.07041	0.6
69.83071	2.3
79.05476	0.8
81.03407	0.5
81.07025	0.8
91.05467	1.3
95.08627	0.4
97.06567	0.4
98.20847	0.7
105.07039	0.7
107.04953	5.4
107.08603	0.5
108.05786	0.4
109.06466	0.7
119.04931	0.8
121.06458	0.5
123.04404	1.6
129.07013	0.6
131.04926	2.6
134.03622	0.8
135.04404	2.4
136.05194	0.6
137.02156	0.4
137.05882	0.6
141.07008	0.6
145.06474	0.5
147.04401	12.6
148.05144	1.3
151.07544	1.9
153.06956	0.7
155.08559	0.5
157.06480	0.9
159.04466	0.4
161.06010	0.6
163.03874	0.5
164.04707	0.7
165.06993	0.9
167.07007	1.1
167.08418	0.6
169.06421	0.9
171.08130	0.6
175.03867	1.0
175.07567	0.4
176.04663	0.5
179.06940	1.0
181.06488	1.4
183.08121	0.4
184.05176	0.7
185.06004	1.3
191.06998	2.5
195.08015	0.9
197.05960	1.6
199.07573	1.8
207.08035	0.7
209.05983	1.5
210.06683	1.2
211.03853	0.6
211.07445	0.6
212.04625	1.6
213.05467	2.2
213.09099	0.6
221.05991	1.4
223.07536	3.7
224.08302	1.1
225.05499	0.7
226.06215	0.9
227.06970	1.9
234.06755	0.9
235.07451	1.2
237.05440	6.1
238.06126	0.9
239.03291	1.0
239.06998	1.6
240.04070	0.8
241.04866	0.5
241.08627	2.5
245.07578	0.3
249.05484	1.1
251.07027	7.5
252.07780	3.3
253.05106	2.0
253.08461	1.3
254.05708	1.7
255.06519	9.1
263.07031	1.1
265.04987	2.7
266.05539	0.6
267.06531	5.6
268.03824	0.6
269.04489	1.4
269.08057	6.4
270.08737	0.7
279.06561	2.6
280.07355	4.4
281.04431	5.1
281.07993	2.0
282.05206	1.2
282.08563	0.6
283.06003	31.6
284.06482	1.4
295.05930	1.9
297.04291	0.8
297.07541	15.0
298.04663	2.3
298.08313	5.8
299.05453	0.8
299.08685	0.4
313.07254	6.0
313.10657	100.0
314.11032	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	313.1069
Annotation	67858-30-4
Peak:m/z	Relative Intensity
55.05500	1.7
63.76328	1.3
67.05494	3.0
67.93051	1.3
69.03411	1.3
69.07059	2.7
69.47622	4.1
69.48038	6.6
70.81228	1.3
79.05489	1.7
81.07037	4.5
91.05464	4.6
93.07019	4.4
95.04945	2.3
95.08582	3.9
97.06493	2.6
97.10155	1.3
105.07043	2.4
107.04929	5.4
107.08541	1.5
109.10137	2.5
117.07033	1.1
119.08595	1.6
119.26124	1.2
121.06537	2.8
121.10140	2.0
123.04441	1.8
129.07021	1.7
130.08624	1.3
135.04408	2.0
136.06151	4.3
137.06017	1.3
143.08487	1.9
147.04434	7.9
147.11623	1.2
151.07541	3.1
159.08028	5.3
159.11612	2.4
161.05998	2.0
161.09561	1.4
163.03934	1.4
163.96489	1.2
171.04413	2.3
171.08136	1.6
173.09627	1.7
179.08531	1.8
181.06503	1.7
184.05215	1.4
185.13206	1.2
187.11301	1.4
191.07021	5.2
197.05949	1.6
197.13297	1.7
199.07578	3.4
225.05377	1.8
227.07188	2.3
237.05473	2.0
240.04179	2.7
252.07756	1.6
253.05045	3.1
255.06500	13.5
267.06436	2.1
269.08142	2.7
281.04498	1.8
281.08060	1.6
282.05225	1.9
283.06003	87.2
284.06436	3.6
297.03897	6.0
297.07547	11.2
298.04654	3.6
298.08340	9.1
312.66183	1.3
313.07126	8.1
313.10654	100.0
313.18057	4.2
314.11029	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	313.0707
Annotation	2H-Pyrano(2,3,4-kl)xanthen-2-one, 10-hydroxy-5,9-dimethoxy-
Peak:m/z	Relative Intensity
54.73369	0.7
55.01887	1.0
57.07047	1.3
59.02455	0.7
67.05486	0.9
67.78016	0.6
69.07031	0.9
71.08635	0.7
71.59195	0.6
71.59675	0.9
79.05500	1.0
81.07053	0.9
89.78846	0.7
93.07066	1.0
95.08602	0.9
105.07018	0.8
107.08609	0.6
109.10152	1.0
112.23162	0.7
119.08621	0.7
128.06154	0.8
131.08524	0.8
134.03564	0.8
137.02324	1.9
141.06943	0.8
153.06921	0.8
158.07173	0.7
169.06503	2.0
170.07196	1.4
181.06497	2.5
182.07233	0.9
184.05345	0.9
185.05951	1.0
186.06746	1.9
197.05978	8.0
198.06711	2.8
199.03922	1.4
201.09138	4.2
211.03920	1.6
212.04590	0.8
213.05449	4.1
214.06215	2.7
224.04828	0.9
225.05473	4.8
226.06241	3.2
227.03404	2.6
227.06960	2.0
229.08478	1.1
239.03389	10.0
240.04034	1.1
241.04945	5.3
241.08580	3.9
242.05714	6.3
252.04243	2.4
253.04961	3.6
254.05634	4.4
255.02850	2.7
255.06389	1.0
257.05298	0.9
257.08072	18.4
257.10608	1.3
267.02878	26.3
268.03391	1.2
269.04404	4.0
269.08032	2.6
270.05338	1.4
279.02960	1.7
281.04398	1.9
282.05237	41.0
283.02448	0.8
283.05811	2.3
285.07596	22.1
297.04028	4.9
298.04749	2.8
313.07062	100.0
313.10361	4.5
314.07401	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	313.0705
Annotation	Acicerone
Peak:m/z	Relative Intensity
57.03463	0.7
57.07061	0.8
59.41734	0.7
65.03954	0.8
67.05492	1.9
68.17032	0.7
69.07052	0.8
70.19173	1.9
79.05482	1.0
81.07063	1.3
91.05480	1.4
95.04934	1.0
95.08601	1.8
97.55527	0.9
107.04952	17.1
109.10155	1.0
123.04427	4.6
128.06218	1.2
129.06927	1.0
137.06029	1.1
145.06468	0.9
147.04395	0.9
151.03903	11.3
153.06950	2.1
154.34369	0.9
165.07011	1.3
168.05685	1.0
169.06560	1.1
171.08011	1.5
173.05966	1.2
181.06511	1.8
183.08014	0.9
184.05165	9.2
185.05899	1.6
187.04076	1.8
195.04327	1.0
196.05231	1.4
197.06029	3.6
199.03949	1.5
199.07471	1.5
200.04648	1.4
211.03943	1.4
211.07593	2.9
212.04680	26.8
213.05461	5.0
215.03401	1.4
223.03992	2.0
224.04666	5.5
225.05568	3.8
227.07016	6.8
228.04263	0.9
239.07120	1.3
240.04170	16.1
241.04912	7.5
254.05646	1.7
255.06520	46.9
256.06970	1.3
257.08047	6.3
268.03632	3.0
269.04468	5.7
270.05231	26.1
281.04465	1.7
282.05219	1.2
283.06009	36.0
285.07706	6.5
297.03882	2.5
297.07291	1.3
298.04715	43.9
298.08130	2.2
299.05093	1.6
313.07080	100.0
313.10513	6.2
314.07413	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	313.0704
Annotation	3-Hydroxy-4-methoxy-8,9-methylenedioxypterocarpene
Peak:m/z	Relative Intensity
54.95972	1.1
57.07074	2.3
61.82213	1.1
67.05484	1.8
69.07065	1.3
70.01395	1.2
70.64950	2.0
70.65335	2.8
71.04982	1.1
79.05475	2.5
81.07034	2.1
83.08601	1.6
91.05472	2.9
93.07028	2.4
94.74969	1.1
95.08617	2.3
105.07024	1.4
107.04935	2.5
107.08624	1.7
109.10129	1.6
119.08595	1.3
121.10139	1.4
139.03871	1.4
147.04445	2.6
151.03906	2.2
161.02350	4.9
162.03127	53.7
184.05208	4.3
200.04712	1.9
212.04686	12.8
224.04698	4.8
228.04053	1.8
240.04257	7.0
253.08545	1.3
255.06578	8.6
268.03665	3.9
280.06732	1.1
281.04453	22.0
282.05002	2.0
283.06116	9.1
284.06357	1.3
297.03815	4.8
298.04727	48.6
298.08167	2.3
313.07016	100.0
313.10257	12.4
313.17902	2.5
313.25391	3.6
314.07184	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	313.0702
Annotation	Acicerone
Peak:m/z	Relative Intensity
50.03239	0.5
52.04623	0.7
68.98383	0.6
68.99767	1.0
70.58707	1.5
70.59100	1.3
74.04405	0.7
74.67061	0.5
79.41530	0.7
84.13969	0.5
128.06261	1.2
139.05444	1.2
143.04866	0.7
144.05695	1.5
146.03654	0.7
155.04932	1.2
156.05553	0.8
167.03508	0.7
167.04922	2.4
169.06540	0.7
170.03664	1.1
171.04341	1.6
171.08012	0.8
184.05170	3.4
187.07576	0.6
195.04414	1.7
196.05241	0.6
197.05927	0.6
199.07481	1.2
212.04675	8.2
225.05345	0.8
227.07033	2.7
240.04169	15.7
241.04678	1.0
242.05765	0.7
253.04990	1.3
255.06511	13.9
257.08038	3.1
268.03635	9.9
270.05240	2.4
283.06000	12.0
298.04718	8.0
313.07040	100.0
314.07367	3.2
320.37790	0.6
329.11319	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0704
Annotation	Acicerone
Peak:m/z	Relative Intensity
50.41316	0.2
62.35029	0.2
68.99796	1.2
70.18766	0.9
89.03911	0.4
111.04455	0.5
116.11298	0.2
119.76840	0.2
128.06186	0.8
134.28001	0.2
136.40240	0.2
138.12106	0.2
139.03862	0.6
139.05441	1.6
141.07050	0.2
143.04901	0.3
144.05704	1.3
145.02820	0.4
146.03610	0.7
147.04381	0.4
149.02301	0.3
155.04919	1.7
156.05670	0.7
159.08072	0.2
161.02321	0.3
162.03091	0.4
167.03497	0.3
167.04904	2.9
168.05659	0.5
169.06380	0.2
170.03682	1.1
171.04398	1.4
171.08038	0.4
172.05186	0.4
184.05183	2.1
185.05965	0.4
186.06783	0.4
187.07512	0.7
195.04385	2.4
196.05139	0.6
197.05943	0.5
199.04019	0.2
199.07529	1.1
212.04671	7.6
213.05353	0.4
214.06320	0.3
223.03915	1.1
224.04721	0.3
225.05536	0.6
227.07010	2.7
240.04160	16.2
241.04688	0.6
242.05780	0.9
251.03291	0.5
253.04913	2.5
254.05734	0.4
255.06509	13.7
256.06970	0.4
257.08069	2.3
264.73199	0.2
268.03650	9.9
269.04065	0.3
270.05203	3.4
283.05991	13.5
284.06339	0.4
285.07578	0.4
298.01254	0.2
298.04703	10.0
313.07034	100.0
314.07397	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	312.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28220	0.7
55.01853	0.7
55.05508	4.7
56.05025	1.9
57.03415	2.4
57.06821	1.0
57.07072	11.9
67.05500	6.8
68.05006	1.0
69.07069	12.8
70.02938	2.2
70.06579	0.6
71.08634	10.6
71.33038	1.4
73.06569	0.9
79.05471	1.7
80.05002	1.3
81.07052	7.9
82.06560	3.2
83.08597	3.3
84.04476	1.6
84.08144	12.1
85.10164	5.3
86.09695	2.4
94.06529	1.3
95.08598	10.5
96.04468	1.0
96.08105	1.2
97.10187	1.2
98.06046	1.0
107.08546	0.9
109.10122	2.9
112.11253	10.2
120.08081	0.7
135.13210	0.7
136.11214	0.9
137.13258	0.9
140.10658	2.9
142.23784	0.7
155.14288	1.8
158.11789	5.7
164.07832	0.7
189.39700	0.6
196.17050	1.2
198.18549	13.2
210.18539	2.0
224.94012	0.8
246.26385	0.8
248.23734	3.0
266.24780	55.5
267.25107	2.9
312.25308	100.0
312.32761	2.0
313.27386	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	313.0703
Annotation	Acicerone
Peak:m/z	Relative Intensity
68.99783	1.2
69.46777	1.2
81.03436	0.1
89.03921	0.3
91.05447	0.1
93.07037	0.2
96.34502	0.1
97.96086	0.1
105.07069	0.1
107.04946	0.2
111.04423	0.2
115.05485	0.2
117.03397	0.2
122.03665	0.2
128.06210	1.2
129.07025	0.2
135.04449	0.3
137.05977	0.9
139.03876	0.6
139.05420	1.7
141.06989	0.3
142.04114	0.1
143.04872	0.5
144.05702	1.2
145.02847	0.4
145.06465	0.4
146.03618	0.9
147.04443	0.2
151.03905	0.3
151.05066	0.2
153.07063	0.2
155.04909	1.5
155.06030	0.2
156.05649	1.2
159.08061	0.2
163.03879	0.3
167.03506	0.2
167.04919	3.0
168.05719	0.5
169.06477	0.2
170.03609	1.5
171.04434	1.6
171.08043	0.5
183.04495	0.2
184.03659	0.3
184.05191	2.8
185.05969	0.6
186.06744	0.5
187.07545	0.8
190.02570	0.4
195.04388	2.3
196.05119	0.5
197.05963	0.5
199.07512	1.0
211.03920	0.3
212.04683	7.8
213.05365	0.5
214.06223	0.2
223.03915	1.5
224.04526	0.2
225.05458	0.6
226.06348	0.1
227.07018	2.5
239.06931	0.2
240.04158	16.8
241.04646	0.5
242.05739	0.7
251.03333	0.3
253.04942	2.5
254.05811	0.4
255.06516	13.7
256.06845	0.4
257.08078	2.8
268.03668	9.7
269.04129	0.5
270.05219	2.8
280.03625	0.1
281.04422	0.3
282.05164	0.2
283.06003	13.4
284.06393	0.5
285.07571	0.5
298.04709	9.4
299.05075	0.4
313.07034	100.0
314.07355	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	312.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.6
55.01876	14.1
55.05511	22.7
56.05021	1.8
57.03431	2.4
57.07076	11.7
57.33721	1.4
58.02959	1.8
60.04525	4.4
64.42547	1.2
65.03936	3.7
67.04243	6.1
67.05511	26.8
68.05025	5.3
69.07066	14.6
70.06627	1.6
71.04983	3.6
71.08630	13.5
71.27525	3.4
72.04510	3.6
72.08155	4.2
77.96157	1.3
79.05493	9.9
79.59727	1.7
80.05020	18.1
81.03426	2.9
81.07060	20.2
82.06581	87.6
83.04980	7.4
83.08620	17.8
85.10188	4.8
91.05474	14.7
93.07053	19.8
94.06568	31.8
95.04968	10.4
95.08613	14.2
97.06523	4.6
97.10174	6.2
98.06039	3.7
99.08099	7.0
102.02673	1.3
105.03382	1.6
105.07015	8.2
106.06564	2.5
107.04956	5.3
107.08594	6.2
109.06509	3.5
109.10168	6.5
110.06036	25.3
111.04443	3.3
111.08095	2.8
112.07607	12.2
117.07004	3.5
119.08584	3.7
121.10146	4.0
122.09628	1.7
123.11716	1.6
125.09632	3.0
127.11227	1.7
131.08530	1.8
133.10143	1.7
135.11734	3.3
137.02301	1.7
137.13263	3.2
141.12732	9.2
143.08604	1.9
145.10121	1.8
147.08180	1.8
147.11633	1.4
149.13196	2.7
154.17635	1.4
155.14268	7.0
163.11206	2.3
165.01839	4.8
167.14334	14.1
169.12276	2.8
175.03947	2.3
179.14325	1.6
181.09813	1.3
189.11282	3.3
224.20137	4.3
229.19566	2.1
234.99826	2.1
246.22276	3.4
247.20575	4.3
253.04904	2.7
257.08136	2.3
258.22357	1.9
264.23242	6.2
276.23187	10.3
277.21594	7.7
294.24280	100.0
295.22235	9.4
295.27606	2.0
312.25153	4.7
313.06967	26.2
313.10190	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10627	15.8
52.56008	20.3
55.05505	28.6
56.96569	18.3
59.04995	36.8
68.99802	16.3
69.03430	17.1
69.07072	46.0
70.06581	31.2
70.35854	61.7
72.08160	18.1
79.05446	16.9
81.07038	18.3
83.05023	18.9
84.04479	32.2
84.08137	39.3
86.09695	48.7
91.05460	26.0
95.06110	15.9
97.02892	40.9
100.11275	21.9
103.05436	33.2
105.07032	31.0
107.04965	25.3
110.07187	96.6
115.07561	61.5
120.08128	31.4
122.06001	45.3
123.04476	45.3
130.06488	28.8
131.04990	34.8
133.08519	18.9
137.05984	35.2
140.07063	46.3
149.05957	25.7
167.07051	23.8
191.07013	20.6
262.02722	17.3
266.18661	34.0
269.08875	18.7
294.13400	21.5
312.19080	100.0
312.26303	69.6
312.32520	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	312.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79507	0.3
57.28959	0.3
58.52974	0.3
58.97267	0.3
59.79788	0.3
59.84060	0.3
60.05629	1.3
65.03937	0.4
70.06595	2.3
71.43393	0.7
85.70951	0.4
94.06561	2.8
96.04486	0.4
110.06068	2.1
116.07076	1.0
130.09789	0.5
138.05492	100.0
139.05815	0.7
156.04082	0.4
175.11876	3.7
208.51895	0.3
246.78339	0.3
303.24930	0.4
322.77817	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	312.1955
Annotation	Spiradine A
Peak:m/z	Relative Intensity
51.69717	0.5
53.03943	2.5
54.11718	0.4
55.05502	1.4
57.03432	1.4
59.35613	0.4
64.15006	0.5
65.24938	0.4
74.22015	0.5
74.95052	0.4
79.05482	0.7
79.38146	0.4
82.06570	1.0
89.15584	0.5
90.98796	0.5
91.04902	0.6
91.05474	10.1
93.07045	18.2
93.07632	1.0
94.06561	4.0
95.04961	5.2
103.05470	13.1
105.04496	0.8
107.04939	2.7
119.08585	0.5
119.26771	0.4
120.05717	0.8
120.08116	1.5
121.06503	100.0
122.06796	1.9
122.09652	3.7
130.96461	0.5
132.08141	0.5
134.09656	1.9
136.11208	6.6
138.09148	1.9
148.11203	3.1
150.09155	5.4
174.12746	0.8
176.06828	0.4
192.13832	12.3
192.15482	0.9
198.09091	0.8
200.10696	0.8
240.13925	0.7
242.15515	0.8
255.15782	0.5
256.16983	1.0
258.14951	1.7
270.14880	6.2
271.15396	0.6
284.20325	0.5
294.18622	0.7
312.19571	55.9
313.20126	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	312.1301
Annotation	N,N-Dimethylguanosine
Peak:m/z	Relative Intensity
57.03418	0.9
69.03438	0.6
69.07068	0.6
69.72904	1.4
69.73316	2.8
70.06585	3.0
71.06123	0.8
79.05482	0.8
81.07031	1.7
82.56740	0.6
85.02897	1.3
90.17887	0.5
110.03547	4.7
115.07561	0.7
128.04546	1.0
135.03029	0.8
136.07541	1.0
136.24423	0.6
137.08185	2.1
153.04066	2.9
162.05426	0.7
162.07787	0.7
164.07027	1.0
180.08803	100.0
181.09126	1.3
182.05104	0.7
204.10181	1.1
205.14256	0.6
213.12422	0.6
226.89946	0.6
236.80420	0.7
250.10631	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49811	12.9
65.86642	13.4
65.98714	11.7
67.05498	15.4
68.88732	11.8
69.07073	100.0
70.37234	45.4
73.06563	13.0
80.27901	12.9
85.02900	40.0
86.09686	13.1
88.03976	19.6
97.02921	17.6
97.06529	24.8
98.97575	12.4
105.44355	11.3
110.06038	31.1
115.07574	93.2
123.04397	14.8
133.08572	25.8
140.07100	17.7
152.20128	12.2
162.05534	29.3
164.07021	14.7
166.07230	15.3
167.95857	11.5
174.05609	12.1
181.04991	18.8
223.95395	11.6
245.98418	12.6
294.09885	18.5
306.31125	18.0
312.10312	16.5
312.32788	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	312.165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61907	7.9
61.50492	8.9
67.05521	10.0
69.03421	21.8
69.07061	39.2
70.02985	49.7
70.06590	11.9
70.29439	8.2
73.06537	16.9
73.12446	7.7
81.03413	15.0
83.08677	10.6
85.02893	17.9
88.03983	11.7
91.05453	14.3
95.04976	14.0
97.02879	22.2
97.06530	14.7
98.97583	15.1
105.07058	10.8
107.08547	10.6
115.03881	11.7
115.07549	60.1
115.08690	100.0
116.08944	8.8
120.08118	9.0
122.05987	19.4
125.36241	8.5
131.05025	10.1
133.02847	11.5
133.08603	10.8
136.07584	13.1
137.05952	14.6
139.03888	11.0
140.07109	13.8
147.04346	9.3
152.10786	9.8
157.07753	9.6
177.05626	10.8
180.10199	14.8
181.05013	10.3
207.06516	12.9
235.05984	28.4
247.06033	15.3
254.97084	9.0
259.06296	11.4
285.80316	8.6
312.15936	19.4
312.19180	35.2
313.12009	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2578
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
50.89981	2.8
53.03920	3.1
55.01893	2.7
55.05509	82.1
57.03437	33.8
57.07074	48.0
60.84736	2.3
67.05486	10.9
69.07066	88.0
69.95681	16.8
71.08639	21.2
73.01020	2.5
79.05483	10.3
81.07063	17.0
83.04984	4.7
83.08143	4.9
83.08617	73.7
85.10164	9.2
91.05457	3.3
93.07055	16.7
95.08630	15.0
97.06541	7.1
97.10168	45.7
105.07042	4.2
105.83585	2.7
107.08589	9.5
109.10149	9.9
111.08027	4.7
111.11693	12.7
115.07504	3.0
121.10142	9.0
128.98586	3.2
135.04393	18.1
135.05289	3.0
135.11682	4.2
161.09615	27.8
209.11717	11.8
237.11134	8.0
311.16470	11.7
311.25812	100.0
312.26196	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2579
Annotation	AS 183
Peak:m/z	Relative Intensity
53.03938	2.5
55.01861	2.5
55.05508	80.0
56.05850	1.9
57.03437	32.0
57.07075	35.6
61.94288	1.7
66.38784	1.8
67.05505	14.0
69.07066	90.5
70.07383	2.6
70.19283	7.7
71.08627	21.2
75.04456	1.8
79.05482	8.5
81.07046	16.7
83.04991	2.7
83.08617	76.3
85.06524	2.6
85.10178	8.9
93.07035	13.1
94.16747	1.5
95.04939	1.8
95.08614	13.2
97.06523	6.4
97.10167	58.1
107.08575	6.6
109.10150	4.9
111.08080	5.1
111.11708	16.8
121.10151	11.6
122.92798	1.9
123.11693	3.5
125.09650	2.5
125.13246	2.0
135.11676	8.0
137.13268	2.1
139.11206	3.6
149.13242	4.2
149.40959	1.9
163.14717	1.8
209.11642	8.0
219.21123	2.8
237.11221	7.5
255.12448	2.3
305.75345	1.7
311.25800	100.0
312.26074	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	311.2214
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03938	14.1
55.01867	23.1
55.05513	85.8
57.03435	22.3
57.07078	53.3
59.37016	10.5
67.05505	92.3
69.07062	69.8
79.05492	80.2
79.08627	10.4
81.07068	96.5
83.04998	18.6
83.08639	58.3
85.06529	11.8
85.10166	10.3
85.99473	12.0
91.05483	47.5
93.07030	87.6
95.00829	9.4
95.05008	30.7
95.08603	84.8
97.06515	29.9
97.10188	31.1
98.21627	19.7
105.07036	48.7
107.04973	17.8
107.08589	63.2
109.06548	16.5
109.10140	68.9
111.04462	34.7
117.07066	14.8
119.08588	30.4
121.10157	55.8
123.08096	11.2
123.11668	16.0
124.42415	12.6
125.55851	10.5
126.07396	11.0
126.84167	11.7
127.24565	10.5
131.08601	30.1
133.10139	33.6
135.11693	33.3
137.45520	10.1
138.47728	9.4
144.28180	11.2
145.10080	16.3
146.21494	11.0
149.09634	19.2
153.05501	20.9
156.81305	9.5
173.13300	16.7
187.11107	12.8
191.10661	15.5
191.94318	10.1
201.16435	24.8
209.11668	98.5
215.10680	20.2
216.22780	11.2
219.17433	20.8
223.13383	12.9
237.11218	71.0
247.20470	15.5
257.18973	13.6
274.61069	12.2
275.20078	51.7
293.21085	100.0
311.16626	13.2
311.25958	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	311.2578
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03933	1.7
55.01864	3.6
55.05510	79.3
55.57333	1.1
57.03435	27.2
57.07076	35.5
65.07266	1.1
65.95395	1.3
65.97233	1.2
67.05500	13.2
69.07066	86.7
69.73769	8.5
71.08279	2.0
71.08633	21.6
73.02921	2.7
79.05482	8.6
81.07050	15.0
83.04992	2.5
83.08615	67.3
83.59438	1.2
85.10189	9.6
85.58124	1.3
91.05473	1.6
93.07051	8.5
95.08608	12.2
97.06540	7.5
97.10169	51.6
100.91441	1.4
107.08602	6.2
109.10120	4.6
111.08073	4.6
111.11711	16.1
121.10156	8.7
123.11686	3.9
123.99123	1.4
125.09608	3.1
125.13264	3.3
135.11710	6.2
137.13220	1.4
139.01675	1.2
139.11244	1.9
149.13229	3.0
198.25241	1.2
209.11711	1.4
210.02638	1.3
237.22197	1.3
311.25797	100.0
312.26102	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	311.2215
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
55.01866	18.6
55.05503	41.2
57.05263	10.2
57.07068	11.0
60.66633	12.2
67.05502	69.6
69.03429	16.4
69.07079	54.8
69.30079	23.6
69.30482	99.4
71.04985	11.2
71.63574	10.7
79.05496	35.8
81.07050	100.0
83.04997	15.8
83.08617	25.8
83.24235	10.8
91.05486	36.9
93.07043	29.9
95.04984	11.3
95.08601	71.6
97.06503	17.0
97.10206	11.9
105.07047	38.4
107.08628	23.9
109.06556	14.1
109.10165	34.6
117.07040	12.6
119.08598	25.8
121.06526	18.1
121.10121	14.5
123.08090	16.6
123.11753	13.0
125.09638	16.8
131.08554	27.1
133.10110	27.2
135.04324	12.2
135.11711	15.6
137.05936	18.8
137.09506	11.2
145.10104	23.5
145.56224	10.5
147.11671	15.3
159.11758	11.7
163.11255	12.2
199.14819	9.2
219.08150	24.2
232.37166	12.4
257.19034	15.1
275.20041	63.5
293.21161	24.8
311.12726	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.13345	7.6
55.01873	40.5
55.05508	47.3
57.07075	37.6
67.05507	91.4
69.07075	29.6
69.69678	66.3
71.04981	12.3
71.08598	10.5
74.19238	8.2
75.57494	7.6
78.13866	7.5
79.05488	48.6
81.03409	9.1
81.07047	63.2
83.04982	23.2
83.08603	25.5
91.05469	38.9
93.07046	54.4
95.04978	30.1
95.08615	90.0
97.06515	16.1
97.10191	20.3
98.59021	12.1
105.07064	21.7
107.04957	13.3
107.08591	20.1
109.10157	23.3
111.04442	26.4
115.05513	9.6
117.07037	9.2
119.08605	19.2
121.06532	32.3
121.10162	23.6
125.09622	47.7
131.08627	13.1
133.10175	10.3
135.11658	10.7
137.09636	19.9
141.09161	9.1
145.10023	10.8
151.11183	18.9
153.05518	13.6
153.09154	9.0
154.83469	9.6
159.10187	22.2
159.11629	12.6
163.11162	13.9
167.10631	10.0
177.12799	13.7
181.12297	20.3
191.10765	15.4
209.11731	100.0
237.11203	81.4
265.21701	28.9
266.47974	8.7
275.20087	22.8
293.21164	30.8
312.19519	14.4
333.53140	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	311.2214
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
55.01856	2.6
55.05262	1.6
55.05510	15.8
57.03432	1.8
57.07068	4.6
67.05509	8.3
69.03429	1.8
69.07070	5.3
71.08630	11.0
78.74074	1.0
79.05501	7.6
81.07052	9.4
83.04990	3.2
83.08613	8.2
85.06523	1.1
91.05486	4.8
93.07041	4.8
95.04975	2.9
95.08604	4.0
97.06506	2.7
97.10165	12.9
99.08102	6.2
105.07043	2.5
107.04979	3.9
107.08597	6.3
109.06538	2.1
109.10175	1.7
111.04447	3.6
111.08102	1.3
117.07026	1.9
119.08569	1.9
121.06490	12.9
121.10155	2.1
125.09632	7.8
131.08565	1.7
135.08089	2.5
151.11197	1.9
153.05490	3.3
163.11238	1.1
165.12727	2.1
167.10643	1.6
177.12801	2.7
189.11212	2.9
191.10640	1.7
209.11702	11.8
237.11212	8.8
241.13313	1.1
255.12236	1.9
263.12234	1.3
275.19949	5.3
286.10562	1.1
293.21100	100.0
294.21371	4.5
312.19604	4.5
318.35257	1.3
323.28381	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
51.59085	3.8
55.01867	20.3
55.05508	65.4
55.96470	3.7
57.03427	5.7
57.07072	5.2
67.05505	71.8
69.03423	4.6
69.07065	30.7
71.03121	11.6
71.05000	10.1
71.08632	50.1
79.05488	45.0
81.03424	22.8
81.07059	63.6
83.04974	33.1
83.08620	39.1
84.08945	4.3
85.06552	8.0
91.05489	25.8
93.07043	34.5
93.67355	4.1
95.04967	40.4
95.08601	48.5
97.06517	25.7
97.10164	26.5
99.08088	23.7
100.11256	9.9
101.11600	4.7
105.07030	16.8
107.04979	9.8
107.08581	29.0
109.06524	8.0
109.10156	30.3
111.04461	6.9
111.08085	8.6
113.06039	8.0
117.07030	7.3
119.08567	19.3
121.06483	4.8
121.10136	10.5
123.04462	4.0
125.09634	28.2
127.11210	5.5
131.08566	11.4
133.06499	5.9
133.10144	11.8
135.08040	5.7
135.11719	17.4
137.09581	5.0
139.11186	34.9
142.02055	4.1
145.10120	13.3
147.11696	7.0
149.09601	9.6
151.11186	20.1
153.09084	5.9
155.10681	7.0
158.38988	4.6
159.11710	12.2
161.09645	6.7
163.11142	26.9
165.12738	4.8
167.10646	9.3
173.11763	7.9
175.11145	6.2
177.12749	12.4
179.10667	6.3
182.15387	4.3
189.11246	9.6
193.12323	7.4
195.13811	19.2
211.13350	9.5
223.13268	8.2
232.59642	3.7
247.07347	4.6
247.21164	6.9
251.10730	4.3
253.04755	5.1
257.19025	9.6
275.20078	31.2
293.21115	100.0
296.74738	8.3
301.47137	4.3
311.05707	5.6
311.22238	6.4
311.27551	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	311.2215
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
55.01866	52.4
55.05519	69.8
56.96569	11.4
57.07076	73.6
67.05495	84.7
69.07066	47.4
70.72988	12.7
70.73335	28.9
71.08602	16.2
79.05488	46.9
81.03445	22.4
81.07061	64.1
81.23401	11.3
83.05009	22.2
83.08620	22.0
91.05473	43.0
93.07056	67.8
95.04991	28.4
95.08612	67.1
97.06537	28.7
97.10157	25.8
99.93790	10.7
105.07037	27.2
107.04971	18.3
107.08587	24.8
107.82898	11.6
109.10152	26.8
111.04443	18.7
116.58408	11.3
119.08573	22.8
119.43362	12.6
121.06495	15.0
121.10123	15.5
123.08032	14.9
125.09638	46.5
133.10188	13.2
137.09653	21.2
145.10141	11.7
151.11212	26.8
153.05482	23.6
163.11252	15.0
173.06036	17.3
181.12068	12.6
185.05859	15.3
207.18066	11.6
209.11723	100.0
215.10699	42.0
237.11259	73.5
255.12370	14.0
275.19931	21.0
293.21152	39.7
311.16586	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	311.2215
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
54.24125	5.5
55.05507	16.1
56.85299	4.5
57.07069	24.3
67.05518	10.4
69.07064	12.1
69.44416	16.5
69.44845	30.4
71.08627	9.0
79.05496	12.1
81.07055	11.9
83.04965	7.4
89.46491	4.7
89.93359	5.5
93.07033	14.1
95.08624	15.3
97.10142	6.8
98.20757	10.6
99.08081	9.1
100.80322	5.7
105.07018	7.0
107.08607	16.6
109.10191	5.4
111.04460	16.3
119.08624	5.1
121.06498	7.5
125.05972	6.4
125.09653	9.7
125.38470	5.3
128.33429	4.9
144.70134	5.1
153.05415	12.4
165.12804	5.3
181.12221	9.1
191.10675	9.5
204.45375	4.8
209.11739	88.5
210.12027	5.3
237.11241	63.5
255.12289	7.5
275.19937	7.2
293.21091	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2215
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03942	9.6
55.01861	16.7
55.05509	100.0
55.84101	4.8
56.66686	5.0
57.03436	34.0
57.07081	45.3
67.05505	83.9
69.07074	97.3
71.08615	13.9
71.24792	5.6
71.58731	9.2
79.05489	39.3
81.07056	80.3
83.04982	19.1
83.08619	83.1
85.10165	7.9
86.78448	5.1
91.05486	34.5
93.07049	50.9
95.04954	12.5
95.08612	55.6
97.06543	14.9
97.10164	46.2
105.07043	27.2
107.04979	6.8
107.08585	29.9
109.06544	8.2
109.10162	47.3
111.04443	17.4
111.08078	15.3
111.11724	14.2
113.09643	8.2
117.07018	5.9
119.08586	21.0
121.06523	8.2
121.10126	16.9
123.08040	8.1
125.09628	11.0
131.08543	9.6
133.10144	31.0
135.04436	21.3
135.11707	23.3
137.09647	11.4
145.10098	14.1
147.11673	8.1
149.09651	15.4
149.13235	6.2
151.11172	18.3
153.05524	8.4
159.11707	12.9
161.09616	14.0
161.13164	6.5
163.11223	15.8
169.08476	5.3
181.12227	15.3
191.10753	7.7
209.11740	42.3
223.13307	5.2
237.11223	24.0
239.17859	7.0
247.20625	9.9
275.20145	44.9
293.21088	81.4
311.25803	76.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2215
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03935	5.7
55.01868	11.8
55.05515	30.9
57.03432	16.4
57.07077	37.4
61.04728	4.1
61.09072	4.3
67.05511	47.3
69.07061	38.5
69.53388	33.4
71.05018	8.9
79.05497	42.0
81.07058	57.2
83.04968	25.8
83.08611	16.3
85.06535	5.7
88.07620	4.5
91.05470	28.9
93.07045	47.1
95.04975	11.0
95.08603	36.2
97.06522	16.3
97.10189	18.9
105.07044	21.9
107.04946	7.8
107.08607	26.1
109.02853	5.8
109.06529	9.7
109.10150	15.9
111.04446	17.8
111.08057	13.9
117.07063	9.3
119.08588	18.2
121.10163	27.3
123.04405	4.8
123.11707	7.3
125.05973	10.0
125.09650	13.5
131.08551	14.1
133.10095	13.0
135.08096	5.6
135.11717	9.7
139.11188	20.5
145.10184	11.2
147.11731	6.4
149.02380	14.1
149.09604	10.4
153.05482	21.4
163.11194	7.7
171.11804	5.6
173.13310	8.0
176.64786	4.2
181.12300	7.4
185.13208	5.3
189.11177	6.4
189.12793	4.7
191.10674	8.1
193.04958	29.2
193.17525	4.6
196.62596	15.7
200.20139	6.3
203.12769	17.8
209.11745	100.0
224.65683	10.6
237.11186	87.7
255.12138	10.0
257.19135	5.8
275.20056	33.3
293.21005	15.8
311.24576	40.1
311.74670	15.1
327.45248	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
54.07552	7.6
55.01894	10.0
55.05512	49.0
57.03439	16.1
57.07069	38.3
58.31339	6.5
61.69528	7.8
61.95745	7.8
67.05508	46.3
69.07062	52.3
69.75203	46.5
71.08636	45.3
79.05494	30.7
81.07063	33.9
83.04994	16.7
83.08620	30.9
91.05462	12.1
93.07041	29.3
95.08609	31.0
97.06526	17.7
97.10172	15.5
98.21479	14.9
99.08105	23.9
107.05042	9.4
107.08604	17.4
109.10146	15.4
111.04469	19.4
115.87009	7.3
121.06541	8.0
121.10127	15.2
121.67875	8.1
125.05991	10.1
125.09702	10.9
131.08527	8.5
133.10141	11.0
133.38840	8.2
135.11719	9.5
139.11128	8.2
141.09134	7.9
149.13239	12.5
151.11169	10.2
153.05502	13.4
177.12685	8.1
191.10809	9.4
195.13811	15.6
209.11703	100.0
237.11220	66.2
293.21072	51.3
311.25778	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.0
57.03430	3.2
61.37761	1.6
65.77382	1.3
69.03405	2.0
69.66743	2.7
69.67148	6.4
79.05493	5.4
81.03413	2.4
81.07043	5.5
91.05479	23.7
93.07027	4.1
95.08624	2.3
97.02870	2.3
100.11918	1.5
103.05456	3.6
103.62154	1.4
105.07019	6.3
107.04946	7.1
107.08601	2.0
115.05446	18.3
116.06283	8.3
117.07021	13.9
119.08613	4.4
121.06529	2.9
121.10133	9.4
128.06233	8.3
129.07007	21.9
130.06548	1.9
131.04889	8.2
131.08569	37.7
132.05711	2.2
133.06493	2.8
133.10170	2.5
134.06029	1.6
137.05968	4.4
141.07008	17.2
143.04903	5.9
144.05698	43.0
145.06490	14.2
146.07117	1.6
147.08058	8.2
149.09618	2.6
153.05467	2.3
155.04904	3.7
155.06047	2.2
157.06506	8.7
158.07242	3.4
159.04436	5.7
159.08052	58.4
160.05197	1.6
160.08357	2.1
161.05975	4.4
169.07646	5.2
172.05147	6.0
173.05994	10.2
174.06747	4.3
175.07530	15.0
177.05461	2.3
177.09138	3.8
187.07545	65.3
188.07921	2.4
189.05489	2.1
189.09126	4.3
191.06998	7.4
191.08597	2.7
192.07774	8.6
193.08582	2.7
199.07675	2.1
204.07800	9.4
205.08589	7.9
207.10179	16.0
217.08513	3.0
219.10161	100.0
237.11224	22.4
251.10791	2.3
279.10089	3.8
283.06104	3.0
293.13882	4.1
311.05594	2.0
311.09134	2.5
311.14871	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	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
55.01869	24.4
55.05261	6.7
55.05512	100.0
56.96571	6.6
57.07048	7.8
67.05505	61.9
69.03418	9.9
69.07067	25.3
69.61280	25.0
69.61685	10.9
71.04974	8.6
71.08639	37.8
79.05500	44.0
81.03413	30.3
81.07059	68.5
83.04984	39.9
83.08624	56.4
85.02856	4.5
85.06549	6.3
90.12159	4.4
91.05482	27.6
91.74895	4.7
93.07050	43.6
95.04961	54.9
95.08606	34.0
97.06528	16.6
97.10168	43.1
99.08118	27.2
105.07028	26.4
107.04960	9.3
107.08588	36.8
109.06499	14.3
109.10184	22.1
110.65910	4.3
111.04425	13.5
111.08061	18.3
116.97309	4.4
117.07014	8.3
119.08550	19.4
121.06551	7.6
121.10102	21.8
125.09617	39.0
131.08528	15.9
133.10112	13.6
135.08011	11.5
135.11679	18.6
137.05928	6.1
143.08521	6.4
145.10101	22.5
147.11665	11.4
149.09630	17.7
149.13278	6.0
159.11757	11.1
161.13278	5.5
163.11172	57.1
167.10655	6.6
177.12737	11.8
185.11719	6.7
189.11224	16.1
193.12228	18.7
195.13820	28.6
211.13272	13.2
223.13242	11.3
247.20563	8.4
249.32170	4.4
257.18991	6.3
265.21701	5.2
275.20142	37.7
293.21109	94.0
294.21396	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	311.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
55.01871	2.2
55.05503	1.2
65.03931	1.0
66.04715	1.1
67.05505	6.7
69.07059	1.9
69.65982	0.9
70.28709	3.8
71.04981	1.5
71.65274	0.8
79.05489	7.0
81.07056	6.7
84.04497	1.1
84.08113	0.9
85.06527	1.5
91.05484	9.3
93.07032	3.6
94.04189	5.4
95.04979	2.4
95.08592	3.8
96.55559	0.9
103.05467	2.0
105.07033	11.0
107.04929	4.2
107.08577	2.2
109.06493	6.3
109.10127	2.9
115.05418	4.6
116.06223	2.0
117.07030	1.4
119.04923	1.3
119.08590	3.2
121.06516	2.9
121.10114	1.7
122.03650	13.4
123.04446	1.1
123.08060	3.6
123.11710	1.0
128.06204	3.2
129.07018	5.2
131.04918	3.3
131.08571	2.1
133.06467	4.6
133.10149	1.1
135.04433	1.4
137.05972	100.0
137.09564	1.6
138.06294	2.4
144.05679	3.8
145.06445	1.9
147.04425	1.6
147.11607	1.2
149.05992	5.6
149.09560	1.1
151.07587	1.2
155.04915	8.6
155.06058	1.4
156.05704	1.4
159.08040	10.3
161.05977	13.1
163.07529	1.1
165.07010	3.5
167.06958	1.0
171.04347	1.0
172.05186	3.4
173.13295	1.2
175.07503	2.7
179.08502	2.7
180.09348	1.7
181.06400	1.5
187.07535	29.4
188.08232	1.7
189.06978	7.4
190.07768	27.1
191.08545	50.3
193.06418	1.3
194.02705	2.6
194.07242	1.7
195.08107	1.0
201.07115	1.5
202.07791	2.2
203.08606	2.0
205.06487	3.9
205.10066	1.9
207.08002	5.8
208.08818	9.4
211.07347	1.1
217.06622	1.5
218.07280	14.7
219.08038	65.1
220.08751	8.3
221.05904	3.3
223.07664	1.0
225.09125	1.7
229.07608	1.3
233.09608	3.4
235.07506	8.7
236.08289	15.0
236.12804	4.1
237.09073	3.9
241.08504	1.1
245.06400	0.9
246.06786	1.5
247.07523	27.7
248.08224	5.0
249.05411	1.6
249.08981	1.5
250.09822	1.1
251.10661	86.2
252.10930	4.7
253.08588	8.5
261.09006	5.8
263.06970	2.7
264.07797	9.6
265.08514	3.5
267.10190	1.7
268.07166	1.1
268.11014	1.0
275.20132	1.8
278.09207	1.1
279.10150	58.1
280.10779	8.5
281.08112	8.9
282.08804	1.1
283.09631	2.0
283.13150	1.2
293.11679	1.9
293.20978	1.4
295.09531	0.9
296.10410	13.1
311.12726	52.3
312.13043	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	311.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08191	1.8
55.05496	3.2
56.08229	1.8
67.05482	6.8
69.03385	2.9
69.07062	4.9
70.85244	4.3
70.85579	2.7
77.54301	2.1
79.05489	8.4
81.07039	14.0
91.05467	9.4
93.07026	4.4
94.04169	5.7
95.04965	3.2
95.08601	7.0
97.02882	2.3
103.05467	2.9
105.07021	12.1
107.04950	3.7
107.08604	4.7
109.06507	5.3
109.10156	4.9
114.16169	2.4
115.05473	4.5
116.06214	2.2
117.07011	2.2
119.08611	4.0
121.10130	5.7
122.03648	9.6
123.11595	2.0
129.06984	7.7
131.04912	3.2
131.08560	3.7
133.06459	4.8
135.11678	2.4
137.05978	95.8
141.07010	2.5
144.05673	5.7
145.06389	2.9
147.04341	1.9
147.11711	2.9
149.05957	6.6
151.03915	2.0
155.04884	7.6
155.06056	3.2
157.10213	2.0
159.08073	15.0
161.05972	12.9
161.09671	2.8
165.06981	4.7
172.05243	4.3
173.06013	2.6
175.07578	3.7
179.08560	2.7
181.06487	2.5
187.07555	32.8
189.06998	10.6
189.08948	3.0
190.07788	29.4
191.08559	63.2
202.07813	4.5
205.06560	2.9
207.08054	6.7
208.08838	7.9
217.06462	1.9
218.07230	15.0
219.08055	64.0
219.10027	4.1
220.08723	9.6
221.06007	4.7
224.42155	1.9
233.09660	3.1
235.07521	9.2
236.08342	15.2
237.09123	2.5
246.06638	2.7
247.07536	33.9
248.08379	3.0
249.05408	2.4
249.09331	2.1
250.09462	2.1
251.10670	100.0
252.11160	2.1
253.08583	4.2
261.09082	5.4
263.07050	2.8
264.07849	11.9
265.08508	5.6
279.10150	66.1
280.10837	7.3
281.07996	7.5
283.09668	2.3
283.13406	3.1
293.11514	2.8
296.10413	8.5
311.09308	3.3
311.12744	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	311.1276
Annotation	Porphyrin
Peak:m/z	Relative Intensity
67.05463	1.3
69.27863	14.5
72.89477	1.4
73.37708	1.2
79.05482	3.6
81.07068	3.3
90.67404	1.4
91.05473	5.0
93.07014	1.8
94.04169	7.7
94.44197	1.1
95.04960	2.4
103.05466	3.3
105.07047	8.7
107.04939	1.9
109.06500	5.3
115.05486	3.0
116.06269	1.7
122.03641	14.1
123.04421	1.5
127.05461	1.7
128.06215	3.9
129.06987	4.3
130.90913	1.2
131.04907	3.9
133.02815	3.4
133.06482	6.4
137.05972	100.0
138.06279	2.4
144.05716	6.8
145.06445	2.6
147.08063	1.8
149.05981	6.9
155.04900	9.0
159.08044	9.8
161.05980	13.7
163.07643	1.3
165.06995	4.2
171.04469	1.4
172.05214	3.4
175.07587	3.5
179.08696	2.0
180.09190	1.7
181.06343	1.4
187.07553	29.8
189.06963	8.1
190.07773	29.0
191.08539	54.0
192.08873	2.2
192.87532	1.3
195.04514	1.5
202.07787	3.7
203.08594	1.4
205.06497	3.2
207.08104	7.7
208.08813	7.2
218.07246	18.1
219.08046	70.2
220.08792	9.0
221.06029	4.1
225.09161	1.8
231.08089	1.8
233.09587	3.2
235.07608	7.9
236.08310	16.7
237.09067	2.7
246.06790	2.9
247.07542	31.6
248.08276	4.4
251.10667	88.0
252.10994	4.0
253.08545	7.2
261.09079	4.7
263.07162	2.7
264.07874	9.3
265.08643	2.6
268.11026	2.4
279.10132	61.2
280.10791	6.7
281.08136	9.9
283.09717	3.0
283.12878	1.3
296.10504	10.2
311.09143	3.0
311.12762	60.7
312.13132	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.7
55.05495	1.9
57.07061	1.5
65.03925	1.8
67.05479	4.8
69.07059	4.8
70.84978	4.2
79.05472	5.6
80.55644	1.1
81.07045	11.5
83.04951	1.4
83.08610	2.1
85.06536	2.0
91.05482	15.5
93.07034	4.6
94.04175	4.8
95.04967	4.2
95.08583	5.9
97.02875	4.2
98.98468	12.3
103.05421	2.0
103.72369	1.2
105.07021	9.5
107.04922	5.1
107.08585	3.7
109.06532	6.3
109.10135	3.3
115.05431	2.7
117.07016	1.9
119.04920	4.7
119.08598	1.4
121.06504	4.1
121.10105	1.4
122.03644	8.6
123.08086	1.3
123.11689	2.3
125.09622	1.4
128.06227	3.1
129.07024	6.2
131.04916	3.6
131.08559	2.2
133.06459	5.6
133.10065	1.5
135.04446	1.4
137.05974	100.0
138.06305	1.9
143.08443	1.2
144.05658	3.4
145.06462	4.2
149.05917	6.1
155.04939	7.1
155.05988	1.8
156.05669	1.9
159.08055	9.0
161.05978	14.3
163.03860	1.9
165.06993	4.0
169.06461	1.4
172.05214	2.5
175.07530	3.0
176.14333	9.5
179.08542	3.2
187.07532	28.1
189.07011	7.2
189.08980	1.4
190.06128	1.9
190.07782	25.5
191.08549	47.7
192.08995	2.8
199.03821	1.6
202.07718	2.2
203.08603	2.1
205.06555	3.2
207.08086	7.5
208.08801	8.2
217.06505	1.3
218.07263	15.3
219.08046	70.9
220.08762	8.8
221.05865	3.1
223.07532	1.5
229.07597	1.8
233.06067	1.4
233.09630	1.6
235.07561	7.9
235.11443	1.3
236.08376	13.5
237.09036	3.5
246.06645	1.9
247.07542	27.1
248.08159	2.6
251.10669	89.5
252.10915	2.9
253.08615	7.0
261.09070	3.7
263.06873	2.4
264.07800	9.7
265.08539	2.9
268.10892	1.8
279.10165	61.5
280.10953	6.7
281.08099	9.6
281.10767	1.7
283.13284	2.8
293.11536	1.5
295.09564	1.8
296.10483	9.6
311.09244	2.9
311.12741	59.5
312.13126	3.3
312.19531	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	311.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48914	1.4
63.20277	1.5
69.83325	9.5
79.05484	4.2
81.07042	4.0
91.05460	6.6
94.04166	5.9
103.05465	3.8
105.07017	12.1
106.48078	1.7
107.04939	5.7
107.72940	1.7
109.06488	5.7
115.05441	3.1
121.02812	2.5
122.03623	12.7
122.06035	2.9
128.06161	3.4
129.06990	6.6
131.04930	4.2
133.02876	1.8
133.06487	9.8
136.07620	1.7
137.05968	100.0
144.05685	2.3
145.06419	2.4
147.04391	1.5
149.05966	9.0
155.04907	7.0
159.08052	8.7
160.20430	1.3
161.05972	18.5
162.09100	2.0
165.05585	1.6
165.06970	4.0
166.81354	1.6
172.05197	3.0
175.07547	4.4
179.08537	2.8
180.09335	2.3
187.07532	26.9
189.06995	6.3
190.07736	30.1
191.08542	48.0
200.12653	1.7
202.07735	2.4
203.08501	2.3
205.06459	2.1
207.08057	6.5
208.08823	8.8
211.07542	1.5
214.08429	1.5
217.06461	2.6
218.07256	14.1
219.08026	66.0
220.08694	7.8
221.05865	3.5
223.11203	2.0
235.07510	8.7
236.08293	14.0
236.12682	3.0
237.09090	2.2
247.07539	29.0
248.08197	2.8
251.10658	83.6
252.11023	3.4
253.08537	5.1
261.09100	3.7
264.07898	10.1
265.08405	2.9
268.10928	1.7
279.10150	65.1
280.10828	6.5
281.08075	9.6
283.13254	3.2
296.10406	12.2
311.12744	53.0
312.13092	3.7
319.70389	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05483	1.6
69.47381	2.2
69.47784	10.5
75.42381	1.3
79.05476	5.0
79.14212	1.4
81.07039	3.3
91.05495	6.3
94.04176	4.3
105.07047	7.2
107.04932	1.7
109.06518	6.0
115.05460	1.8
116.06216	2.1
120.86832	1.5
121.06473	2.6
122.03645	11.7
123.04440	1.3
128.06216	2.0
129.06996	3.7
131.04927	3.3
131.08597	1.4
133.06541	7.8
135.04375	1.7
137.05972	100.0
138.06345	1.6
144.05690	4.4
145.06441	1.9
149.05968	5.4
153.01797	5.2
155.04901	8.8
159.08032	8.7
161.05995	12.8
161.69525	1.3
165.07011	5.6
172.05188	4.4
175.07520	3.5
180.09279	1.6
187.07532	29.7
189.07018	7.5
189.09077	1.3
190.07767	31.1
191.08539	58.2
192.09167	1.4
195.08212	1.4
201.06961	1.9
202.07739	3.1
203.08456	2.1
205.06464	4.5
207.08083	6.0
208.08806	8.2
218.07254	16.0
219.08043	72.7
220.08748	9.7
221.06068	1.9
225.09132	1.9
233.09554	1.7
235.07545	8.6
236.08298	15.9
237.08952	4.1
246.06743	3.2
247.07545	32.2
248.08171	4.3
249.05501	1.6
249.08928	2.4
251.10654	97.1
252.11113	3.5
253.08611	8.4
261.09122	3.7
263.06985	3.3
264.07755	11.0
265.08618	3.7
266.05765	1.8
278.09302	2.0
279.10153	70.7
280.10666	5.9
281.08081	11.8
283.13248	1.9
296.10477	13.2
309.11392	1.5
311.05289	2.3
311.12759	71.7
312.13193	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	3.5
55.05494	1.8
58.02096	1.2
59.36027	1.1
67.05505	7.8
69.07047	1.5
69.76472	7.8
71.04995	2.5
79.05494	5.9
81.07047	7.0
91.05458	10.7
93.07044	2.8
94.04169	4.9
95.04945	3.5
95.08598	4.1
97.02883	1.4
98.20774	1.2
103.05453	4.0
103.95872	1.2
105.03422	1.3
105.07041	10.2
107.04948	4.5
107.08585	2.2
109.06535	6.4
109.10146	1.9
111.13140	1.0
115.05458	2.9
116.06199	1.7
117.07016	1.8
119.04909	1.4
119.08587	2.7
121.06512	2.1
121.10195	1.8
122.03645	13.2
123.08043	3.2
128.06200	2.3
129.07027	6.3
129.07788	1.1
131.04901	5.2
131.08582	4.2
133.06490	7.7
133.10155	1.8
135.04413	1.0
135.08038	1.6
136.07533	1.7
137.05972	100.0
142.45380	1.1
144.05684	4.2
145.06447	3.4
145.10066	1.6
147.08037	1.4
149.05971	5.6
155.04919	9.2
156.05623	1.1
159.08058	8.3
161.05952	12.6
163.03786	1.6
163.07491	1.6
165.06979	4.5
172.05252	2.7
173.13251	1.9
175.07553	3.8
179.08578	2.4
180.09258	2.1
187.07533	32.2
188.08127	2.0
189.06975	7.9
190.07751	27.2
191.08549	51.2
192.08916	2.0
194.02722	3.5
195.08160	1.8
201.06998	1.2
202.07802	3.0
203.08478	1.9
205.06448	4.1
207.08057	7.1
208.08803	8.8
217.06461	1.2
218.07271	15.5
219.08043	73.5
220.08711	10.2
221.05890	4.3
221.09590	2.4
229.07581	1.3
231.08145	1.4
233.09567	4.2
235.07556	9.3
236.08328	15.6
236.12740	3.5
237.09059	3.5
247.07542	31.9
248.08238	5.0
249.05521	1.9
249.09055	1.3
251.10658	90.1
252.11072	3.7
253.08537	9.2
253.33292	1.1
261.09052	6.2
263.07056	2.3
264.07867	12.8
265.08554	4.0
267.10165	1.5
268.07211	1.4
268.10855	3.0
275.19800	1.6
279.10156	66.1
280.10706	8.0
281.08109	11.0
283.09549	1.9
283.13248	1.6
293.11655	2.2
296.10410	12.2
297.10876	1.3
311.12741	61.4
312.12952	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	311.1234
Annotation	gamma-Glutamyltyrosine
Peak:m/z	Relative Intensity
56.05025	3.7
56.96556	1.0
57.03420	1.2
61.02922	1.1
70.06587	2.1
71.57680	1.2
71.95509	0.7
72.42219	0.7
73.02926	1.1
79.30112	0.6
81.03422	1.6
84.04504	65.3
84.08125	1.4
84.95997	0.8
85.02904	2.5
85.90004	0.7
86.28256	0.6
91.05482	19.9
93.07065	0.9
94.06518	0.8
95.04974	10.4
97.02882	1.5
98.97571	1.1
102.05536	2.0
103.05463	0.9
104.10765	1.7
107.04958	2.1
109.02905	1.1
109.06534	1.7
116.98583	1.2
118.06564	0.8
119.01923	2.4
119.04944	35.1
121.06483	1.6
123.04426	52.4
124.04771	1.2
130.05003	12.8
136.07578	100.0
137.07925	2.4
138.05495	8.5
145.03468	0.9
147.04401	21.4
148.04762	0.9
149.54832	0.9
151.04268	0.7
165.05475	77.0
166.05826	1.5
172.08139	0.8
175.04550	1.0
182.08130	63.1
183.08421	1.3
185.03000	1.3
202.08635	15.7
214.05968	2.4
219.01530	0.9
223.06493	1.6
237.02875	0.8
248.09143	8.6
267.45282	0.8
269.05652	1.4
294.09686	9.9
311.06485	1.6
311.12366	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1234
Annotation	gamma-Glutamyltyrosine
Peak:m/z	Relative Intensity
54.71521	0.9
56.05031	2.9
57.64803	1.0
69.50481	8.1
76.54877	0.9
83.33230	0.8
84.04501	60.8
85.02909	1.2
86.67221	0.9
90.42981	1.0
91.05484	17.5
95.04965	9.4
103.05434	1.8
109.06513	1.5
119.04932	31.9
123.04424	54.8
128.10857	1.0
130.04974	13.5
131.21242	1.2
132.54193	1.2
136.07570	100.0
137.06029	1.7
137.07889	2.5
147.04408	21.2
151.04675	1.1
159.79698	0.9
161.55003	1.1
165.05466	89.3
166.05742	2.5
182.08116	75.7
183.08432	2.3
200.07010	0.9
201.56960	1.0
202.08621	14.6
248.09200	10.7
265.70908	1.1
294.09689	10.2
311.12216	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11034	1.6
53.03927	2.6
55.01872	3.9
56.96566	2.7
57.03432	6.3
58.16243	1.9
61.02923	3.5
66.47330	1.7
69.03423	20.3
69.07058	3.1
70.06586	2.5
70.42844	7.6
71.01374	2.5
71.05004	2.4
73.02918	2.9
79.05500	3.4
81.03406	11.8
84.04508	2.4
85.02901	9.9
91.05466	7.0
95.04935	2.9
97.02887	17.3
99.29628	2.5
103.05452	5.9
105.03382	2.0
105.07017	3.6
107.04981	2.5
109.02870	3.5
110.06019	6.6
111.04420	2.9
115.03918	3.6
115.05477	4.7
117.06989	2.1
119.04942	6.9
121.06511	2.3
122.03629	3.0
122.05974	2.4
122.07236	2.3
123.04478	3.9
127.03900	6.3
129.05475	2.5
131.04913	9.1
133.02878	6.7
133.06659	3.2
133.07547	10.7
135.04399	2.3
136.07559	6.5
137.05974	42.3
138.05516	2.6
140.07079	3.5
141.07028	4.4
143.04883	3.3
145.05045	2.7
145.06438	4.0
147.04402	6.9
149.02118	2.4
149.06023	14.6
149.07042	3.3
151.03909	7.6
151.07549	4.2
159.04350	3.1
160.05156	2.8
161.05992	4.0
161.07104	100.0
162.07817	2.1
163.03960	2.9
163.07532	6.0
166.08542	2.0
169.06511	5.1
173.07173	2.2
173.74564	1.9
175.07387	3.1
175.08708	5.4
177.05441	15.4
179.03331	3.1
179.07057	6.8
182.08127	4.7
187.07529	3.6
191.06862	14.0
191.08530	3.1
197.06003	4.5
201.10460	9.7
203.07022	4.2
215.07024	3.2
221.08110	3.6
229.08412	5.0
233.08157	4.4
245.09254	8.2
257.09326	23.4
270.14218	2.1
275.10168	10.3
293.11328	15.2
311.12115	6.3
311.15839	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03931	5.6
55.01871	12.3
56.96336	6.3
56.96570	78.1
57.03429	22.8
57.16035	6.1
61.02917	17.3
62.27024	5.7
66.27795	5.4
69.03442	53.1
69.54863	53.4
70.03754	12.8
71.01329	6.4
71.04992	9.6
73.02921	18.0
73.77129	6.8
74.53135	5.9
76.95895	6.7
81.03409	34.4
82.06567	12.1
84.08150	9.8
84.96040	24.1
85.02911	85.1
86.03226	7.4
86.03680	6.2
87.04443	9.7
91.03927	7.7
91.05486	11.5
97.02890	41.8
97.96806	8.3
98.03228	7.7
98.97581	78.3
99.04466	14.4
100.05215	7.6
109.02868	23.3
110.06045	6.8
110.97563	7.3
116.98636	69.2
117.03410	6.3
119.01891	26.0
119.04916	10.2
127.03928	24.6
128.98595	14.6
131.00201	16.4
131.01857	8.7
133.03477	11.2
134.99678	44.4
135.03145	10.4
135.04269	6.1
136.07581	13.0
137.05957	9.6
143.00197	14.9
143.83858	5.9
146.99644	17.0
149.01215	16.6
149.02907	7.9
157.01665	7.4
158.99687	14.1
161.01208	21.7
161.07089	14.1
163.02754	10.4
163.03914	13.8
165.00742	7.7
173.01256	10.0
173.02882	13.5
177.00778	31.5
178.04904	17.6
185.02916	18.0
189.00766	13.7
191.02287	15.2
196.99527	10.2
203.03951	10.2
205.00174	9.5
206.04424	8.0
210.48265	6.7
211.06297	6.2
214.05989	15.8
219.01793	17.3
223.06479	10.7
225.06122	6.9
230.07326	11.7
232.06989	18.8
233.03206	7.3
234.78857	6.5
237.02823	12.3
239.02045	6.9
251.04433	13.4
263.01123	6.3
265.45483	6.4
269.05450	34.3
287.06390	7.9
293.05383	17.6
311.06454	100.0
311.09796	20.5
329.07532	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	311.0649
Annotation	3beta-Hydroxyaplysin
Peak:m/z	Relative Intensity
50.65697	7.9
55.01862	10.4
56.96565	61.4
57.03419	30.1
61.02914	21.1
69.03431	51.0
69.33061	72.8
69.33471	13.5
71.05011	15.0
73.02908	29.7
81.03399	34.3
82.06567	12.8
84.96001	13.1
85.02915	72.7
86.03706	9.8
87.04467	10.6
96.70977	7.8
97.02879	24.5
98.97577	92.9
99.04409	9.4
100.07597	10.3
109.02844	19.6
114.61606	7.6
116.98625	60.0
119.01859	21.1
127.03925	18.0
128.98582	20.3
131.01872	16.0
134.99622	37.0
136.07545	9.5
143.00188	9.5
146.99615	21.3
149.01215	20.1
150.07805	8.8
156.05258	9.2
157.03378	9.9
158.06660	8.6
158.99644	18.9
161.01237	15.7
161.02841	8.2
161.07097	16.4
163.16986	8.7
165.00711	9.1
167.07092	10.4
173.01204	14.1
177.00719	30.3
178.04869	11.9
179.02237	9.5
185.02982	11.6
189.00708	19.0
189.04172	15.2
196.99506	14.0
205.00290	10.9
213.56143	12.7
214.05948	22.4
219.01845	13.4
221.04961	20.9
223.06563	13.4
232.07002	18.0
237.02719	10.4
245.49327	10.3
251.04195	13.8
257.09082	11.6
264.44794	10.3
269.05460	33.2
287.06552	17.2
293.05576	24.8
311.06396	100.0
329.07385	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	311.0547
Annotation	Flemichapparin C
Peak:m/z	Relative Intensity
55.01857	0.6
55.05502	0.6
60.11883	0.3
67.05491	0.8
68.99776	0.9
71.59222	0.8
79.05479	0.4
79.75354	0.3
81.07047	1.1
81.52426	0.3
82.78763	0.3
82.79256	0.3
83.08585	0.4
89.03931	1.1
91.05478	0.7
93.07017	0.5
95.08585	1.2
105.07009	0.4
107.08569	0.8
109.10165	0.9
115.05462	0.5
119.08522	0.6
121.10211	0.5
128.22415	0.3
133.10141	0.5
139.05412	2.8
141.06976	1.1
145.10130	0.4
147.11707	0.5
149.02393	0.6
157.06561	0.4
159.11604	0.6
165.01697	0.3
167.04907	3.7
169.06516	1.1
171.04340	0.7
183.04410	0.5
195.04404	3.9
197.05943	2.6
199.03888	0.7
213.05449	0.6
223.03978	1.7
224.04659	0.4
225.05460	9.4
241.04590	0.4
252.04202	0.9
253.04945	37.4
254.05231	1.2
255.06578	2.5
281.04449	26.7
282.04813	1.3
283.06039	0.6
311.05481	100.0
311.23874	0.8
311.27319	1.2
312.05801	5.2
334.67175	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2785
Annotation	Labdenediol
Peak:m/z	Relative Intensity
51.63692	3.3
53.03960	3.8
55.01892	3.4
55.05504	22.8
57.03436	5.5
57.07074	82.6
67.05508	33.4
69.03422	4.6
69.07066	34.7
69.44002	10.1
69.44408	31.8
70.04084	4.6
71.04992	9.1
71.08634	100.0
79.05488	20.3
81.07054	54.5
83.04994	6.3
83.08621	12.1
85.06560	9.3
91.05475	15.4
93.07040	25.0
95.04967	13.4
95.08600	75.0
97.06509	8.6
97.10172	7.8
99.08048	4.6
105.07016	16.6
107.08582	25.4
109.06519	4.9
109.10151	29.3
110.10490	3.7
113.13263	6.0
114.45341	3.4
119.08583	15.7
121.06458	6.5
121.10149	10.1
123.04430	5.0
123.08118	7.5
123.11688	25.6
125.09631	4.4
131.08607	4.7
133.10150	7.8
135.11713	6.9
137.13255	8.3
139.11166	5.8
145.10086	5.9
147.11673	9.8
149.13214	6.4
151.14812	15.8
159.11714	4.5
161.13330	5.1
171.11772	4.4
178.13214	4.1
179.14302	4.2
219.96216	3.8
273.25937	4.6
291.19580	12.4
291.26819	18.7
294.39969	3.4
306.16888	3.6
309.11093	6.1
309.27740	27.1
310.11490	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	310.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.9
56.96555	2.7
62.97878	1.3
69.03416	2.6
69.07030	1.4
69.40913	1.2
70.04063	4.9
70.06589	3.4
71.57934	2.6
72.08137	2.9
78.32948	1.5
79.05491	2.0
84.04492	2.2
84.08143	3.4
85.02885	2.0
86.09711	10.7
87.12250	1.4
88.03978	6.4
89.03925	12.1
91.05478	4.4
93.07037	3.1
97.02895	2.5
102.01372	1.8
105.07024	4.5
107.04926	1.5
107.08566	2.5
115.28434	1.3
116.98624	3.0
117.03376	30.7
120.08129	3.1
129.10243	1.7
134.03639	4.3
134.99695	2.0
135.04379	3.8
136.07549	2.1
137.04224	2.9
139.05775	3.1
145.02849	58.9
147.04413	1.8
147.11624	1.6
148.04729	2.6
149.05949	8.2
155.08173	3.8
159.11681	1.8
163.03912	1.5
177.00761	2.2
177.05473	100.0
178.05754	2.3
186.05490	2.0
189.12679	3.8
191.14413	2.2
195.07716	1.9
197.01276	1.9
197.09265	3.1
212.07347	1.7
221.09987	2.3
223.11526	3.3
310.14713	13.0
311.85129	1.3
322.72830	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2786
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
51.94584	2.8
53.03935	5.7
55.05509	33.6
57.07076	47.0
59.04980	7.9
67.05499	30.8
69.03419	11.5
69.07067	89.6
69.99807	10.4
70.00224	5.0
70.07394	3.4
71.04988	6.7
71.08629	41.0
71.80323	2.8
79.05480	11.8
81.03401	15.8
81.07056	100.0
82.07371	6.2
83.04919	3.0
83.08618	28.1
85.02887	4.5
85.06533	15.9
85.10155	4.6
91.05476	18.1
93.07040	33.2
94.07362	4.0
94.61115	2.9
95.04953	4.4
95.08601	84.8
96.08928	4.6
97.06523	9.5
97.10162	10.8
99.04457	4.0
99.08091	10.5
105.07010	18.8
107.08582	32.2
109.02859	7.6
109.06496	5.1
109.09462	4.2
109.10159	53.3
111.08078	9.8
111.11742	17.1
113.13255	4.8
119.04900	20.9
119.08566	13.3
121.10124	20.8
123.11700	42.4
124.12070	3.3
125.09608	4.5
131.00169	3.0
133.10130	8.6
135.11685	12.5
137.13269	18.5
139.11172	13.3
147.04410	93.3
147.11684	7.5
148.04730	7.0
148.11984	4.9
149.13249	17.3
151.14796	9.9
153.12733	6.6
161.13275	5.6
163.14815	6.4
165.05519	4.2
165.12799	5.6
167.14311	4.7
177.16377	4.1
191.17949	4.7
217.19431	3.5
221.18884	3.1
273.25717	4.4
279.26761	5.8
291.08636	10.6
291.26666	24.7
309.11157	4.3
309.27921	27.0
310.91388	3.1
331.95450	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2786
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03947	2.7
53.45826	1.6
55.01868	4.7
55.05511	27.5
57.03428	4.6
57.07080	8.7
59.04998	2.7
62.50838	1.7
65.04494	1.4
67.05508	25.5
69.03414	4.4
69.07069	100.0
69.51544	5.2
69.51966	7.5
70.04052	1.6
70.07394	4.3
70.38881	1.4
70.46748	1.9
71.04987	6.6
71.08635	2.8
73.06581	1.6
79.05501	14.5
81.03397	3.7
81.07054	59.3
81.12588	1.7
82.07394	3.0
83.04993	2.7
83.08616	18.7
84.08147	2.4
85.06551	9.5
89.89345	1.4
91.05491	10.1
93.07039	25.3
94.07376	2.4
95.04973	5.0
95.08614	44.4
96.08937	3.2
97.02920	2.1
97.06518	7.3
97.10172	6.4
98.98469	3.6
99.08093	8.1
101.05996	1.6
105.07046	10.2
107.04973	4.6
107.08595	19.4
109.02844	1.6
109.06510	3.0
109.10152	24.5
110.10504	1.6
111.08101	12.5
111.11716	24.5
113.09630	1.7
115.05433	2.9
117.07018	4.7
119.04951	3.8
119.08576	7.9
121.06582	2.0
121.10148	12.2
123.08083	1.7
123.11710	19.8
124.31493	1.6
125.09610	2.1
129.07004	1.9
131.08543	3.0
133.10106	4.7
135.11700	8.9
137.09605	3.6
137.13264	8.5
139.11171	13.2
145.06467	3.9
145.10240	1.9
147.04395	11.8
147.08026	2.7
147.11688	4.6
149.13292	11.0
151.11227	2.0
153.12747	6.3
161.13300	2.8
163.14847	4.3
165.12730	2.6
171.24255	1.5
173.05983	2.6
189.05225	1.7
189.07062	1.5
189.16359	2.0
193.84401	1.5
206.07310	2.4
217.08633	2.8
221.09676	1.9
235.07440	2.0
247.09656	1.6
249.09207	2.8
252.65915	1.8
262.19177	1.7
273.18457	2.4
277.08585	5.8
281.11734	4.2
286.30850	1.9
291.19818	2.4
291.23453	2.4
291.26779	6.9
309.11212	7.2
309.27673	14.9
310.11493	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2786
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03926	2.4
55.01863	3.4
55.05509	36.8
57.03445	2.4
57.07079	29.6
59.04999	6.4
64.11631	2.0
67.05508	34.0
69.03429	6.3
69.07069	91.2
70.04067	2.1
70.04806	11.3
70.07420	2.7
71.04996	9.1
71.08630	21.2
73.06558	3.2
79.05490	18.4
81.03438	3.1
81.07057	100.0
83.04985	2.3
83.08616	38.6
85.06543	15.9
89.06099	2.1
91.05464	10.2
93.07040	32.3
93.86855	2.4
95.04975	6.1
95.08607	84.9
95.45695	1.9
97.06525	6.3
97.10170	10.1
99.08093	10.9
105.07051	10.9
107.08594	38.8
109.06528	3.8
109.10158	48.2
110.10470	2.5
111.08092	28.9
111.11720	10.9
113.09637	2.5
119.04946	4.7
119.08609	10.0
121.10129	21.5
123.11707	48.5
125.09624	7.7
125.13316	5.3
125.57187	2.1
133.10161	3.9
135.11696	13.9
137.09596	2.3
137.13266	17.4
139.11183	11.0
147.04408	10.4
147.11710	9.9
149.13232	16.3
151.11153	2.4
151.14857	6.9
153.12753	9.6
161.13255	5.9
163.14877	8.1
163.49767	2.0
165.12761	5.3
167.14302	5.3
175.14742	4.5
177.16425	5.1
179.14328	3.7
189.16272	3.2
191.18021	3.2
193.15887	3.1
193.19734	3.0
203.17735	2.5
217.19595	3.1
221.18823	2.3
273.25717	5.3
274.56006	2.6
277.08557	4.0
281.11823	2.9
291.26834	18.9
294.41583	2.6
309.27872	23.7
310.28305	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2786
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
51.33168	1.4
52.53699	1.3
52.84859	1.5
53.03939	1.8
54.39993	1.2
55.01871	4.4
55.05511	31.3
56.55089	1.3
57.03424	3.5
57.07076	21.2
59.04997	4.6
63.96499	1.6
67.05507	31.3
69.03422	4.7
69.07069	100.0
70.07398	4.9
70.19498	5.3
71.04989	6.5
71.08635	14.2
73.06555	1.8
79.05489	16.6
81.03416	2.4
81.07059	91.5
82.07401	2.6
83.04994	2.6
83.08621	28.4
85.06545	11.4
91.05492	10.6
93.07043	29.9
95.04977	6.5
95.08607	82.6
96.08997	2.2
97.06529	7.3
97.10162	9.2
98.21439	1.9
98.97590	1.5
98.98455	7.9
99.08102	6.2
100.11433	1.4
105.07024	10.9
107.08599	28.1
109.06519	5.5
109.10162	39.9
109.10938	2.3
111.08079	22.6
111.11729	17.6
113.09725	2.2
119.04958	4.5
119.08591	9.0
121.10155	18.0
123.08126	2.6
123.11713	36.7
125.09641	4.0
125.13257	2.3
127.07414	1.5
133.10144	4.0
135.11705	13.6
137.06017	1.4
137.09599	1.7
137.13275	16.6
139.11176	10.7
140.13095	1.7
141.12769	2.1
147.04427	16.5
147.11676	7.0
147.16743	1.4
147.81586	1.5
148.16544	1.4
149.13242	13.1
151.14798	3.7
153.12762	6.0
161.13271	5.6
163.14822	5.4
165.12804	4.8
165.16397	1.7
167.14334	2.4
171.11612	1.8
175.14861	2.6
177.16414	4.5
179.14383	3.1
180.13852	4.2
189.16377	2.2
191.17932	2.2
203.17867	1.5
203.92870	1.7
206.07155	2.2
211.22572	1.5
217.19577	1.9
218.92372	1.7
221.09592	2.0
223.07458	2.3
234.06764	4.5
249.09192	6.5
251.07147	2.3
262.06241	3.0
273.25775	3.6
277.08530	9.9
278.08926	2.2
279.26797	2.4
281.11758	4.8
291.26825	12.2
294.08713	2.3
309.11041	8.9
309.27863	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	309.2786
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03939	2.5
54.18556	2.1
54.56968	1.8
55.01861	3.6
55.05511	35.1
57.03428	6.1
57.07076	28.0
59.05005	2.3
65.03919	4.7
67.05501	51.3
69.03418	4.7
69.07066	59.6
70.04054	5.1
70.75608	6.5
71.04989	6.2
71.08637	13.5
79.05489	28.5
81.03400	5.5
81.07056	100.0
82.07382	2.8
83.04968	9.6
83.08615	30.0
84.08117	1.9
85.06524	8.0
85.10188	2.4
86.84311	2.0
89.94173	2.1
91.05481	23.1
93.07038	41.0
95.04973	16.1
95.08604	82.0
97.06521	9.5
97.10157	16.4
99.08062	4.8
105.07013	23.0
107.04947	4.3
107.08585	24.5
109.06512	7.0
109.10149	41.1
110.95610	2.0
111.04502	2.6
111.08079	14.6
111.11737	11.7
117.06967	4.3
119.04871	3.2
119.08573	19.2
121.06496	4.2
121.10141	21.4
123.04405	3.1
123.08044	6.7
123.11703	27.4
125.09624	5.0
127.07499	4.1
129.06918	2.4
131.08585	4.2
133.10092	12.7
135.08076	3.6
135.11731	13.0
137.09598	5.9
137.13260	12.4
139.11205	4.1
145.10085	4.4
147.04407	13.5
147.11655	11.1
149.13254	12.4
151.14839	3.1
151.97585	2.2
153.12798	2.7
155.10733	2.8
161.13258	8.5
163.11205	2.0
163.14871	3.0
165.12775	2.6
165.16286	2.6
175.14795	4.8
179.14342	2.6
189.16405	4.7
191.17961	3.3
193.19461	3.2
203.17984	4.0
206.07402	2.2
217.16020	3.0
217.19411	3.8
234.06772	3.7
249.09077	4.6
251.06865	3.2
273.18558	5.7
273.25787	7.7
277.08582	8.7
278.09042	2.4
281.11761	4.9
291.19550	3.3
291.26642	10.3
309.11209	10.6
309.20654	4.7
309.27795	25.3
310.27951	2.3
323.66025	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	24.0
57.03436	7.3
65.10609	6.5
67.05500	72.1
69.07069	20.2
70.75870	21.3
71.08632	46.7
79.05504	47.7
81.03395	10.0
81.07062	56.3
83.04977	14.9
83.08619	10.1
91.05476	27.9
93.07040	70.5
95.04967	21.0
95.08617	52.8
97.06517	8.4
97.10183	9.1
97.94257	6.1
99.08084	46.7
105.07031	24.8
107.04931	8.7
107.08598	31.9
109.10163	22.4
111.08049	8.5
117.07005	16.4
119.08571	15.8
121.10175	38.8
125.09628	14.7
131.08554	9.6
133.10129	19.0
135.11703	31.9
147.11703	10.7
149.13164	10.1
151.11192	21.5
161.13240	9.4
163.11214	9.4
177.12700	6.2
179.14319	100.0
185.13301	6.6
189.12668	7.6
259.20557	14.1
277.21628	51.5
309.17075	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	309.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05102	14.0
53.03946	24.5
55.01865	30.4
55.05510	39.2
67.05506	88.6
68.19576	14.7
69.07055	59.5
70.35879	37.6
70.36263	29.1
79.05490	62.7
81.03403	67.0
81.07081	90.2
83.04975	26.1
83.08601	19.4
91.05470	40.7
93.07033	51.3
95.04960	55.5
95.08591	25.3
97.06520	24.5
97.10149	22.5
102.91592	14.2
105.07017	23.6
107.08567	46.8
109.06522	24.2
109.10144	26.9
119.08588	22.8
121.10131	27.2
123.04430	15.2
131.08521	17.9
133.10136	29.0
135.11681	24.1
147.11678	31.8
151.11166	51.3
163.11223	22.4
165.12671	21.2
266.22220	17.5
277.21603	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2213
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
55.05502	18.4
57.07074	16.3
59.52044	8.6
63.33492	9.8
63.35496	10.6
65.64244	8.6
67.05503	51.5
69.07054	22.6
70.04086	19.3
70.67010	11.7
70.83525	12.4
70.83853	18.7
73.87861	9.5
79.05493	29.2
81.03433	10.9
81.07047	60.0
83.08632	10.7
84.78308	11.0
91.05501	43.8
93.07035	51.5
95.04964	50.7
95.08626	37.2
97.06522	19.3
97.10136	16.0
100.61784	10.7
105.07021	74.0
107.08609	55.0
109.10175	32.8
109.74451	8.8
117.07037	9.1
119.08592	55.1
121.06502	13.8
121.10163	68.6
123.11661	16.6
129.07135	12.4
131.08574	34.5
133.09196	9.1
133.10071	51.2
135.08148	10.4
135.11761	11.5
142.07796	19.3
143.08578	39.9
145.10138	42.0
147.11697	14.2
153.44632	9.2
155.08609	16.1
156.09320	9.3
157.10150	34.1
159.11728	29.3
167.08560	13.2
169.10262	20.5
171.11671	20.9
173.13240	16.0
175.14832	11.9
183.11739	16.2
185.13171	11.5
195.11620	11.6
197.13190	18.3
199.14835	14.5
209.13271	24.5
225.16238	12.2
309.07657	48.0
309.22092	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	Soraphen O
Peak:m/z	Relative Intensity
51.74022	3.2
53.03940	9.7
55.01866	15.0
55.05508	28.5
57.03434	32.4
57.07066	22.1
59.62555	3.1
67.05173	5.1
67.05506	69.6
69.03420	42.5
69.07064	40.6
69.87167	7.1
69.87582	17.2
70.04086	9.5
71.04991	17.3
71.08641	10.2
79.05492	64.2
79.53149	4.4
81.03419	19.0
81.07058	100.0
83.04985	16.1
83.08615	25.1
85.06562	14.8
90.61110	3.3
91.05483	51.1
93.07040	66.3
95.04974	25.6
95.08607	70.4
97.06528	30.5
97.10173	11.6
99.04465	3.6
99.08094	35.6
105.07028	40.6
107.04955	11.5
107.08595	35.4
109.06540	24.0
109.10146	35.9
111.04469	14.7
111.08089	11.3
111.11779	3.3
113.06074	3.7
115.96129	2.9
117.07030	17.0
119.08575	30.7
121.06538	7.0
121.10129	23.5
123.08073	12.5
123.11727	13.4
125.09690	5.3
127.07558	6.4
129.07028	7.1
131.08578	20.7
133.10117	40.5
135.08076	9.4
135.11707	11.5
137.06027	3.8
137.09662	4.1
137.13301	3.7
139.11220	4.2
139.99724	3.8
143.08571	10.1
145.10115	10.3
147.04399	8.3
147.08032	5.2
147.11661	13.1
149.09645	14.1
149.13266	8.2
151.11206	9.5
157.10124	9.1
159.07979	4.8
159.11685	10.7
161.09561	4.2
161.13324	6.8
163.11209	8.0
163.14861	6.4
165.12813	4.3
171.11644	5.7
173.13261	5.6
177.12767	4.5
179.32520	3.4
187.11217	4.6
189.16457	4.0
199.14816	7.0
201.12852	3.9
217.15901	15.8
217.19579	4.3
219.13783	5.1
221.15501	6.7
226.98117	3.2
227.17789	5.6
233.15396	5.2
235.17024	8.3
273.18411	20.2
279.06610	4.6
291.19595	44.3
309.11243	15.9
309.20618	21.1
309.27756	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	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03932	7.4
55.01865	15.6
55.05511	75.0
57.03419	7.1
57.07063	4.1
59.04980	4.5
62.90956	2.3
65.03941	4.1
67.05502	59.1
69.03435	13.5
69.07069	24.8
70.04059	6.5
71.04971	4.9
71.10635	4.4
71.11008	4.3
72.89828	2.1
79.05058	3.8
79.05490	49.1
81.03425	15.3
81.06586	4.3
81.07055	81.9
83.04990	16.3
83.08620	37.0
85.02897	3.4
85.06525	4.1
91.05080	1.8
91.05480	24.3
93.07043	54.4
93.76052	1.9
95.04971	40.9
95.08606	58.3
97.06522	7.9
97.10168	60.3
99.08112	2.9
101.12688	2.0
105.07030	31.2
107.04933	7.9
107.08600	33.0
109.06504	7.4
109.10152	17.3
111.04469	10.3
111.08073	10.5
117.06986	8.9
119.08592	26.2
121.06534	5.1
121.10151	17.3
123.08069	100.0
123.11698	14.3
124.08404	3.1
125.09629	47.9
125.10538	2.3
129.06992	7.2
131.08549	15.3
133.06502	2.9
133.10123	15.7
135.08054	6.5
135.11661	6.7
137.09578	12.5
139.11130	4.2
143.08551	4.8
143.10641	3.6
145.10120	11.3
147.08070	10.1
147.11633	8.3
149.09596	6.6
149.13260	4.4
150.12296	2.0
153.09056	6.4
153.12779	5.2
157.10117	6.4
159.11693	3.8
161.09616	4.6
163.11195	19.5
165.09111	11.3
169.12247	6.0
171.11694	6.1
171.89905	2.1
173.09694	3.8
173.11711	2.0
175.11157	9.3
181.12228	7.4
187.11201	2.0
187.13313	10.1
189.11217	30.3
191.10622	4.8
193.12254	10.7
211.13200	5.9
212.93425	2.2
213.12875	2.3
223.13260	7.3
227.12881	3.9
227.17929	3.2
245.18987	3.5
249.18465	2.9
255.17455	4.5
263.20135	6.0
273.18512	35.2
274.18954	2.6
277.08298	2.2
291.19547	55.9
309.16626	10.4
309.20557	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	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03936	9.4
55.01862	10.7
55.05511	50.5
56.99905	2.3
57.03437	12.8
57.07069	10.4
59.05011	2.3
59.64650	2.3
65.03938	3.0
67.05173	4.4
67.05506	60.5
67.86072	2.3
69.03446	21.4
69.07068	35.6
70.04044	3.6
70.84110	7.6
71.04989	8.3
71.08620	4.6
71.75811	2.1
79.05498	59.5
80.77803	2.3
81.03423	14.9
81.07061	100.0
83.04977	16.3
83.08624	28.0
85.02903	3.0
85.06528	8.5
91.05476	37.2
93.07049	54.8
95.04981	24.3
95.08608	60.4
97.06529	21.1
97.10177	30.9
99.08082	8.8
105.07029	31.2
107.04967	9.9
107.08611	33.4
109.06505	14.8
109.10157	24.1
111.04452	8.6
111.08102	12.4
111.11705	4.2
113.05999	7.4
117.06997	8.9
119.08587	27.1
121.06490	6.8
121.10133	23.3
123.04414	3.2
123.08061	30.0
123.11718	12.1
125.09646	21.0
127.07536	2.5
129.07018	6.9
131.08575	16.8
133.10130	21.1
135.08064	11.0
135.11693	10.4
137.09651	10.2
137.13255	2.7
139.11134	3.5
143.08539	5.6
145.10109	10.4
147.04410	2.7
147.08064	5.5
147.11678	13.8
149.09669	5.6
149.13264	4.7
151.11188	5.7
153.09152	3.7
157.10091	6.9
159.07979	2.7
159.11703	5.3
161.01123	2.3
161.09566	4.6
161.13277	6.0
163.11165	16.9
165.09143	8.6
171.11760	3.7
175.11263	5.7
175.14803	2.9
181.12184	7.3
189.11209	12.7
189.12804	4.8
189.16351	5.2
191.10628	2.8
193.12279	5.5
199.14883	4.0
217.15831	6.6
245.18927	2.5
255.17566	2.4
266.21164	4.4
273.18582	14.9
279.06473	5.0
291.19559	42.9
295.87500	2.5
309.11093	13.5
309.17401	2.7
309.20340	13.2
309.27774	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	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.05460	4.1
53.03939	8.8
55.01865	16.5
55.05263	6.4
55.05512	75.3
57.03434	19.5
57.07070	5.7
67.05508	63.0
69.03429	23.2
69.07081	32.7
69.50941	27.1
69.51353	9.6
70.04069	8.8
71.04983	7.9
73.79124	4.0
79.05495	100.0
81.03414	13.2
81.07059	84.0
83.04978	17.2
83.08628	38.8
85.06556	8.5
91.05483	50.3
93.07050	76.8
95.04985	26.2
95.08607	51.0
97.02910	5.3
97.06511	7.9
97.10175	69.8
105.06998	32.0
105.76020	5.2
107.04972	24.8
107.08606	43.2
109.06534	19.4
109.10150	19.0
111.08065	10.2
117.07013	11.3
119.08563	24.6
121.06502	16.6
121.10175	32.7
123.08081	21.3
123.11726	6.3
125.09631	61.1
129.06978	9.4
131.08560	12.9
133.10150	10.4
135.08087	18.0
135.11720	4.6
137.09651	8.0
143.08517	6.4
145.10101	13.0
147.08070	6.5
147.11635	11.2
149.09630	6.6
153.09132	5.7
157.10172	8.5
159.11690	8.5
161.09575	6.8
163.11226	5.3
165.09035	6.0
165.12755	8.8
171.11574	6.6
184.29858	4.6
186.61009	4.6
189.11240	35.3
189.12663	6.0
192.81665	5.2
223.86525	4.6
225.35757	5.2
255.17348	6.6
273.18558	17.8
291.19562	43.9
293.21014	5.7
308.91980	5.3
309.17282	13.0
309.20587	24.8
309.23996	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03938	7.1
55.01872	20.8
55.05514	30.2
57.03434	3.6
57.07077	3.2
67.05502	81.9
69.03430	7.3
69.07068	33.2
70.12525	6.7
70.12926	5.1
71.05001	12.2
79.05492	54.5
81.03414	8.6
81.07056	94.5
83.01343	2.9
83.04983	15.7
83.08620	12.1
85.02888	3.0
85.06533	8.6
91.05480	58.7
93.07040	53.6
95.04979	20.3
95.08604	38.9
96.08941	2.8
97.02876	2.5
97.06519	7.2
97.10214	3.8
99.04454	4.2
105.07028	63.6
107.04959	14.8
107.08593	60.0
109.06512	13.4
109.10158	77.9
110.31152	2.5
111.04443	9.4
111.08069	10.7
113.05962	3.0
117.07030	9.5
119.08596	23.0
121.06489	10.2
121.10153	10.5
123.08059	10.7
123.11693	11.0
125.05917	2.8
125.09630	5.1
127.07535	6.0
129.07001	5.4
131.08553	19.6
133.06500	7.2
133.10129	100.0
135.08067	9.6
135.11678	10.1
137.05966	3.7
137.09647	5.1
139.07553	7.0
141.07037	2.7
143.08563	8.2
145.10114	10.8
147.08086	10.5
147.11682	9.8
149.09621	10.1
151.11168	58.0
152.11693	3.2
157.10146	5.8
159.84937	3.1
161.09612	16.2
161.13239	4.5
163.11165	4.8
165.09088	3.3
167.10666	3.9
169.12282	12.8
171.11705	7.7
175.11209	6.2
177.09113	2.9
181.08591	5.0
185.13283	2.8
189.09293	2.3
189.12785	5.1
193.12286	3.0
203.14342	4.3
207.13847	2.8
215.12686	3.6
215.19075	2.9
227.17973	5.0
245.18985	19.8
255.17416	4.3
263.20071	16.9
273.18512	38.3
274.18921	3.8
291.19531	74.8
292.19934	4.8
309.20642	30.0
309.24323	4.4
309.24875	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03932	6.9
55.01882	21.4
55.05515	54.7
57.03418	10.0
57.07078	4.0
67.05173	5.3
67.05505	64.9
69.03422	10.4
69.07079	27.4
69.90982	8.9
69.91417	19.1
70.04080	3.9
70.57172	3.9
79.05135	4.7
79.05494	51.1
81.03410	11.5
81.07063	82.7
82.62440	3.9
83.04964	16.2
83.08646	21.7
85.06516	4.7
86.28339	4.2
91.05473	40.6
93.07032	45.8
95.04962	17.0
95.08606	52.3
96.34046	4.4
97.06523	9.7
97.10179	23.2
105.07028	33.4
107.04932	12.0
107.08598	38.3
109.06489	10.2
109.10165	48.8
111.04446	9.7
111.08086	12.4
111.87910	4.4
113.06050	6.9
117.06995	12.3
119.08568	24.2
121.06473	9.6
121.10147	12.9
123.04423	4.3
123.08034	16.5
123.11676	5.1
125.09605	19.1
131.08543	16.6
133.06487	6.3
133.10127	41.3
135.08054	7.3
135.11729	7.6
137.09618	8.3
138.99463	25.2
139.11147	4.7
143.08517	5.6
145.10074	12.4
147.08102	7.5
147.11684	6.4
149.09538	5.3
151.10074	4.0
151.11108	23.2
156.02090	28.9
157.10103	9.6
161.09599	10.3
165.09126	9.0
173.13297	4.5
189.11217	10.6
240.29912	4.8
245.18904	6.0
250.72656	4.3
257.15302	4.9
263.19971	11.2
273.18475	28.7
291.19583	100.0
305.24826	4.7
309.20587	16.3
309.24075	9.6
332.21292	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	309.2059
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
52.03212	4.3
53.03938	6.5
54.70683	4.3
55.01854	15.3
55.05508	36.8
57.03423	7.6
57.07064	6.4
67.05502	77.9
69.03422	6.7
69.07067	28.2
70.84769	15.1
71.04972	5.6
78.65461	4.1
79.05486	52.9
81.03430	5.0
81.06654	6.0
81.07063	84.7
83.01307	4.3
83.04961	16.9
83.08623	12.3
85.06537	7.1
91.05477	56.0
93.07041	60.0
95.04958	16.9
95.08598	44.7
97.06538	8.6
105.07030	48.9
107.04936	18.2
107.08571	39.4
109.06501	16.5
109.10150	59.8
111.04414	8.4
111.08055	14.1
114.06052	4.2
117.07036	11.5
119.08600	25.7
121.06509	15.5
121.10124	16.8
121.85696	4.5
123.08052	14.4
123.11727	7.1
125.05984	4.6
125.09571	5.0
129.06960	9.7
131.08553	12.1
133.06512	10.7
133.10127	57.1
135.08031	8.3
135.11696	10.6
137.05966	6.4
137.09583	7.2
137.29964	4.1
139.07541	10.1
143.08601	5.8
145.10072	14.3
147.08057	15.2
149.09644	9.8
149.13219	5.1
151.11195	32.5
157.10074	6.9
159.08070	5.1
159.11647	5.7
161.09593	16.5
161.13342	4.8
163.11171	5.0
167.13307	6.0
169.12143	5.7
175.11278	8.0
181.08592	6.0
189.12656	6.2
207.13896	5.0
210.90729	4.4
217.12303	4.8
245.18959	16.5
263.20053	29.2
273.18436	51.0
273.80591	4.7
291.19540	100.0
291.22052	4.1
309.20544	17.6
309.23645	5.8
310.23703	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	309.2058
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03947	7.9
55.01855	18.4
55.05512	55.2
56.96573	7.3
57.03430	22.7
57.07077	38.1
67.05497	78.4
69.03408	10.2
69.07063	49.0
70.04071	13.5
70.16044	29.8
71.04987	11.6
71.08627	55.4
79.05482	51.7
81.03418	7.9
81.07054	97.0
83.04969	14.0
83.08623	38.7
85.06551	16.7
91.05476	45.1
93.07030	53.2
95.04961	30.3
95.08604	100.0
97.06533	18.7
97.10148	16.2
99.08074	9.5
100.11256	9.4
105.07039	41.7
107.04945	17.4
107.08563	46.4
109.06514	14.3
109.10151	41.7
111.04423	6.9
111.08062	7.3
111.11707	7.1
113.06031	7.3
117.07006	15.0
119.08611	39.6
121.06493	15.4
121.10144	27.4
123.04410	6.5
123.08070	11.7
123.11676	19.3
125.09618	15.7
129.07028	12.9
131.08560	18.9
133.10132	24.5
135.08040	10.0
135.11673	12.3
137.09634	6.4
137.13234	12.7
143.08612	7.1
145.10124	21.7
147.08086	19.0
147.11722	13.3
149.09598	9.3
151.11249	8.1
151.14803	6.1
153.36107	5.6
155.01027	8.2
157.10117	12.9
157.54904	6.5
159.11681	7.2
161.13260	7.7
167.66209	7.6
171.11629	6.5
182.15410	18.2
199.14960	6.5
205.08604	7.9
208.70384	6.4
210.14922	27.4
221.15303	6.4
223.09676	11.7
249.11221	11.1
273.18481	32.0
291.19485	47.1
291.26724	11.5
309.16904	10.5
309.20471	12.9
309.27890	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	309.2058
Annotation	Soraphen O
Peak:m/z	Relative Intensity
55.01863	16.1
55.05502	30.4
55.82368	6.6
57.03428	31.7
57.07065	24.0
65.03893	8.8
67.05515	39.0
69.03436	10.6
69.07052	23.4
69.44869	73.5
71.08618	25.9
73.26136	7.1
79.05488	40.9
81.07055	63.6
83.04962	18.4
83.08612	20.9
85.06548	38.8
86.45069	8.2
91.05481	24.1
93.07024	37.5
95.04967	37.3
95.08607	35.8
97.06500	10.0
97.10158	24.8
105.07059	25.6
107.08601	47.5
109.06524	58.4
109.10168	13.0
111.04459	26.3
113.06001	100.0
117.06998	13.4
119.08595	29.6
121.06528	9.0
121.10146	14.5
123.08140	12.7
123.11741	13.8
131.08577	10.8
133.10103	9.9
135.08070	33.8
135.11694	11.2
145.10106	13.3
147.08069	14.8
149.09566	9.0
163.11252	10.1
181.12274	13.0
191.10698	9.1
196.50949	6.7
198.59694	7.4
217.15822	13.5
227.12828	8.5
273.18530	27.9
275.78769	8.1
291.19550	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2058
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03931	6.8
55.01875	16.5
55.05514	39.7
56.96547	5.9
57.03425	9.7
57.07077	9.2
58.49792	3.7
62.00687	3.5
67.05505	71.1
69.03433	12.7
69.07061	22.7
70.10515	3.5
71.04994	10.8
71.08624	3.9
79.05489	54.5
81.03409	12.3
81.07056	100.0
83.04984	11.6
83.08614	15.6
85.06549	7.6
91.04946	7.0
91.05471	45.6
93.07045	44.7
95.04964	22.7
95.08620	42.9
97.06534	11.9
97.10134	11.0
98.20712	10.7
98.24386	4.0
99.08041	3.8
104.84256	3.9
105.07032	52.3
107.04922	9.3
107.08593	39.7
109.06525	15.6
109.10152	51.0
111.04434	7.5
111.08103	11.0
113.06018	5.2
117.07010	11.4
119.08606	27.0
121.06494	13.3
121.10143	18.0
123.08080	18.1
123.11707	7.5
125.09658	9.6
127.07523	5.6
129.07019	6.8
131.08559	16.3
133.06444	5.1
133.10132	59.1
135.08057	8.6
135.11636	5.1
137.09610	8.0
139.07532	5.3
141.07080	4.7
143.08508	5.8
145.10147	11.8
147.08041	11.2
147.11703	11.7
149.09659	9.7
151.11185	30.8
153.09090	5.6
155.49153	3.8
157.10101	6.4
159.11638	5.7
161.09660	6.8
161.13264	4.5
165.09106	7.3
169.12218	3.8
169.90508	4.4
171.11731	5.5
189.04298	4.9
189.12721	5.2
195.09998	4.8
195.11635	4.9
245.18971	11.7
256.72696	4.2
263.20071	5.3
273.18488	26.8
291.19528	57.6
309.20712	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39323	1.0
53.03938	1.5
55.01863	3.0
55.05513	14.9
56.96564	0.9
57.03420	3.1
57.07064	4.2
59.04980	1.3
67.05505	16.8
69.03412	2.5
69.07069	9.6
69.71842	5.8
70.04082	1.3
71.04979	2.2
71.08627	2.2
79.05494	15.0
81.03418	4.1
81.07056	28.8
83.04968	3.2
83.08608	8.2
85.06537	3.6
91.05485	7.5
93.07040	14.6
95.04979	9.6
95.08604	19.4
97.06538	4.8
97.10172	10.5
99.08099	1.9
105.07037	6.9
107.04918	1.7
107.08591	9.9
109.06499	2.3
109.10161	7.1
111.04430	1.8
111.08057	1.8
113.05990	2.7
117.07026	2.8
119.05032	1.0
119.08597	5.9
121.06440	1.3
121.10149	6.6
123.04398	1.4
123.08067	14.5
123.11684	5.5
124.75616	0.8
125.09617	6.0
131.08530	4.0
133.10120	4.3
135.08118	2.3
135.11732	4.5
137.09621	1.4
137.13206	2.3
143.08603	1.2
145.10104	1.9
147.04408	2.2
147.08046	1.2
147.11656	2.1
148.01761	0.9
149.09615	2.0
149.13249	1.5
151.11136	1.3
157.10115	1.4
159.11710	1.2
161.09692	1.1
161.13286	1.0
163.11165	1.8
163.14836	1.3
165.09132	1.4
169.12213	1.0
171.11711	1.3
181.12233	1.6
187.13327	1.2
189.11206	4.0
189.12735	1.3
193.12358	2.1
211.13377	1.3
223.13153	1.1
227.17912	1.0
273.18530	6.5
277.08643	1.3
280.98431	1.0
291.19409	9.1
309.16724	100.0
309.20132	4.1
310.17078	3.6
330.80463	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2219
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
55.05518	0.9
61.76545	0.7
66.04703	0.7
67.05496	1.7
69.07060	1.6
70.04071	5.4
70.19337	0.7
70.19675	3.0
71.08635	1.2
79.05489	1.2
81.07056	4.0
81.57191	0.6
91.05457	1.2
92.43443	0.6
93.07050	1.0
94.04176	2.5
95.04948	1.2
95.08604	1.4
107.04933	0.8
109.06513	1.5
122.03648	9.3
137.05981	100.0
138.06323	1.9
160.88249	0.7
165.12741	0.7
172.16985	2.0
184.17004	1.3
189.12737	0.7
200.45287	0.8
291.19705	0.8
291.23178	1.3
296.85880	0.7
296.89139	0.6
308.15405	1.5
308.23080	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01871	3.5
55.05504	3.2
57.03435	2.7
59.05000	1.7
65.03933	1.1
67.05498	6.6
69.03422	1.0
69.07056	2.0
70.94179	1.3
70.94510	1.8
77.56946	0.8
79.05502	5.5
81.03421	6.0
81.07044	8.2
83.08630	1.3
85.02889	1.6
85.06532	1.0
91.05484	5.6
93.07027	5.1
95.04965	12.9
95.08595	3.7
97.02877	2.8
97.06510	1.8
103.05460	6.4
105.06998	3.9
107.04937	4.1
107.08601	4.0
109.02845	0.8
109.06539	2.6
109.10137	3.7
111.08129	1.3
115.05460	6.7
117.07018	32.1
119.04964	0.9
119.08578	4.0
121.02852	1.5
121.06514	2.0
121.10156	1.8
122.03629	2.2
123.04423	7.2
123.07989	1.0
129.07028	2.2
131.04924	15.7
131.08533	1.8
133.10136	1.9
135.08069	1.1
135.11748	1.0
137.05975	69.7
138.06317	1.1
138.89378	0.8
143.04895	1.0
144.05640	1.0
145.02853	2.5
145.06485	43.6
145.10100	2.3
146.06866	1.2
147.04451	3.9
147.07980	1.2
147.11713	1.6
155.06036	1.4
160.05145	2.1
161.05969	1.5
162.06778	1.1
163.07541	22.2
163.11211	3.3
171.11711	1.8
175.07565	3.0
177.05502	6.4
177.09111	30.0
181.04999	1.1
187.07437	1.3
189.05493	2.9
189.11209	1.3
189.12782	1.4
190.06200	2.2
191.52933	1.0
203.07077	2.2
205.08600	100.0
206.07292	1.0
206.08986	2.9
207.13904	1.8
223.06027	1.1
231.06541	2.8
235.13266	5.4
249.09279	1.1
273.18301	0.8
277.08627	2.0
281.11749	1.4
291.19437	1.4
309.11234	2.1
309.16916	4.9
309.20285	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1491
Annotation	Convoline
Peak:m/z	Relative Intensity
51.60634	0.3
67.04236	1.0
70.04073	1.0
71.49177	0.3
71.49498	0.5
72.08144	0.7
76.02225	0.4
79.05476	1.6
79.65041	0.3
80.05000	0.5
82.06578	27.1
83.06899	0.3
84.08125	0.3
91.05470	0.6
92.21635	0.3
100.07613	100.0
101.07940	1.0
103.03956	0.3
103.05472	4.5
107.04948	2.0
109.48996	0.3
129.06940	0.3
131.04944	1.1
142.08629	2.7
146.11713	0.5
149.05948	0.3
150.46376	0.3
158.08008	0.4
159.06381	0.4
160.09691	7.9
177.05431	1.7
207.06544	0.6
245.62155	0.3
290.13916	0.4
308.14911	25.4
309.15164	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
64.81619	0.5
69.93593	2.4
70.04066	2.0
72.08154	0.6
73.25750	0.5
76.02232	1.1
79.01563	0.6
79.05496	2.5
81.88898	0.6
82.06583	26.4
84.04462	0.6
91.05465	0.9
98.20827	0.8
100.07618	100.0
101.07919	1.0
103.05467	8.3
107.04948	3.7
114.89366	0.5
123.04415	1.0
131.04951	3.6
139.03891	0.6
142.08614	3.6
160.09697	34.3
164.97462	0.6
173.97856	0.6
190.66602	0.6
208.02824	1.3
211.89188	0.5
308.14944	49.0
309.15308	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1855
Annotation	CHEMBL482708
Peak:m/z	Relative Intensity
51.02367	1.1
53.03948	1.1
55.01858	1.1
55.05492	4.5
56.05019	1.3
56.19819	1.0
58.99585	8.2
67.05490	3.5
69.07042	2.6
70.04086	7.0
70.06588	18.9
70.25914	4.9
74.56002	0.9
76.02225	31.8
76.03977	1.5
79.05479	3.2
80.05016	1.3
81.07043	3.2
83.08611	1.9
84.04504	15.2
85.02924	1.2
86.09694	2.0
86.99075	1.3
91.05469	3.4
93.07051	3.1
95.04971	1.1
95.08582	3.3
97.02888	1.3
97.10178	1.2
98.21447	1.0
103.05461	16.6
105.07024	2.9
107.04958	12.9
107.08601	1.3
109.02880	1.3
114.05490	1.3
115.05460	2.9
116.01672	7.6
116.07099	16.6
117.03434	1.1
117.07017	11.3
119.04897	2.0
119.08567	1.6
120.08093	1.1
121.06416	2.3
123.04431	10.6
129.06985	1.2
130.04980	5.5
130.06531	1.0
131.04916	38.8
131.08588	2.6
133.06496	8.3
137.05966	15.6
138.09146	1.8
139.03796	1.2
142.03186	3.5
143.08559	1.8
144.01112	4.1
145.06488	21.1
147.04395	10.2
147.07944	1.5
149.05975	90.8
150.06262	1.5
151.07532	1.4
154.79387	1.0
157.06485	5.0
159.08057	4.1
161.05981	6.4
162.02209	12.3
162.06744	1.5
163.07552	26.1
164.06996	2.7
165.05492	10.1
166.08604	2.1
171.08025	1.4
173.05991	6.9
175.07539	9.7
177.05444	1.8
177.07808	3.2
177.09143	2.9
179.04831	13.6
180.03502	1.0
184.09700	3.4
187.07544	2.1
189.09035	2.6
199.07512	2.8
213.09068	1.3
219.08273	1.1
233.05901	4.3
237.12672	1.4
245.15286	1.2
246.14845	2.3
249.09245	1.2
249.76677	1.0
251.07404	1.0
255.13797	4.7
266.26190	1.2
267.63559	1.1
273.14850	12.8
290.13873	5.7
290.17508	4.7
291.15933	11.7
308.15500	3.8
308.18536	100.0
309.19171	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58632	0.4
55.01872	0.6
55.05503	0.6
56.96565	3.8
57.03437	1.5
61.02917	2.0
65.03938	0.8
67.04248	2.7
69.03428	4.6
70.04071	1.1
70.06571	0.4
70.70636	0.6
70.70983	0.8
71.04993	0.9
72.08144	1.0
73.02916	1.5
76.02231	1.0
80.05047	0.5
81.03427	2.1
82.06578	100.0
83.06876	0.7
84.08134	2.4
85.02898	8.3
85.17352	0.4
87.04482	0.8
91.03950	0.6
95.04955	0.5
97.02879	3.3
98.97586	5.3
99.04455	0.9
100.07613	34.2
100.99155	0.4
107.04955	0.8
109.02871	1.8
110.01951	0.4
110.97566	0.6
115.03918	0.5
116.98643	3.4
119.01909	1.3
120.02003	1.6
122.02719	0.4
127.03934	1.9
128.07074	9.1
128.98634	1.2
130.06509	1.4
131.00182	0.6
131.06885	1.9
134.99657	1.6
139.03896	4.1
140.04213	4.1
145.04953	0.9
146.08118	40.0
146.99677	1.3
149.01245	0.9
157.03421	0.7
157.07614	1.3
158.03575	0.6
158.06007	0.8
158.07980	2.5
158.99672	1.2
159.06346	2.6
160.09526	0.7
161.01247	0.6
163.04025	0.4
170.99635	0.5
173.01259	1.3
174.99168	0.5
175.04538	0.7
176.08997	1.6
177.00717	2.0
179.04843	0.5
189.00749	0.7
191.02303	1.3
193.00204	1.1
194.00600	0.5
207.01735	1.0
216.00818	0.5
228.08409	0.7
237.02768	0.8
246.09473	0.7
248.03209	0.5
249.02690	0.5
253.07661	0.6
254.07935	0.8
262.09094	0.7
262.12885	6.0
267.03833	0.4
269.05469	0.6
280.09415	0.8
308.13379	81.1
309.13644	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.9
56.18601	1.2
56.96566	60.7
57.03437	1.4
57.07078	3.7
67.05489	4.2
69.07076	7.4
70.04083	7.9
70.07398	3.1
70.28323	1.4
71.04987	1.7
71.47695	1.8
71.48036	1.5
71.95258	7.9
72.96036	2.7
74.43497	1.1
74.56074	1.1
74.97619	1.6
77.83327	1.2
79.05490	3.7
81.03433	2.2
81.07056	5.9
82.07368	2.1
83.08620	5.2
84.08931	1.5
87.10467	1.3
91.05460	1.8
92.05788	1.5
93.07043	5.3
94.07375	3.3
95.04977	2.5
95.08629	6.2
96.05284	1.3
96.08952	2.6
97.06540	1.9
105.07041	2.1
106.07324	1.8
107.05022	1.3
107.08601	2.7
108.08935	2.0
109.10165	2.1
111.08084	2.3
119.08605	1.6
121.10098	3.2
122.10422	2.0
123.11720	2.7
128.38567	1.2
128.98573	1.5
135.11674	1.2
137.02747	1.9
138.87556	1.2
141.02222	2.1
146.99680	1.7
147.04434	2.5
148.20935	1.3
155.03793	4.6
157.01730	3.0
159.03326	4.5
159.11708	1.6
161.13353	1.2
171.03281	2.9
173.04886	1.5
177.04353	2.2
185.04877	2.1
189.04356	4.0
199.02763	2.6
203.05942	3.0
211.06374	2.3
217.03876	2.0
217.07523	2.5
223.10135	4.0
237.08086	1.7
241.11111	56.7
249.08270	1.8
255.09061	1.8
258.59460	1.4
259.12186	100.0
264.12766	4.0
267.09036	12.6
272.24384	1.6
282.13776	7.3
285.10089	62.5
290.18488	1.5
294.86371	1.4
303.11136	50.9
308.11703	8.2
308.15149	2.4
308.19321	1.2
308.26526	1.7
326.02530	1.3
326.12698	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.263
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
55.05510	8.3
57.07050	1.6
64.78342	1.0
65.03924	2.0
67.05503	100.0
69.07067	8.5
70.04063	3.5
71.05000	1.6
71.08601	1.3
71.59161	1.5
79.05500	9.2
81.07055	95.9
83.08629	6.7
91.05460	2.3
93.07025	9.9
95.04967	1.6
95.08604	81.4
97.10153	3.0
105.07014	3.3
107.08591	3.3
109.10156	29.4
111.08064	1.6
117.07020	1.8
119.08568	2.1
121.10136	4.6
123.08069	2.3
123.11707	14.2
128.07018	1.1
131.08508	1.4
133.10121	3.5
135.11682	3.2
135.21234	1.0
137.09567	2.6
137.13235	8.2
139.03928	1.7
147.11676	1.3
149.13261	1.2
151.11292	1.1
151.14864	2.5
163.11208	1.9
165.12660	1.2
173.13287	1.8
175.14803	1.3
187.14868	1.3
195.13852	1.4
223.16995	1.2
237.18445	1.8
289.25388	2.1
304.26770	1.4
307.22668	2.7
307.26035	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	307.2629
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
50.57341	1.3
55.01867	2.9
55.05513	19.7
57.07075	8.2
59.04986	3.5
67.05505	17.9
69.03439	3.4
69.07067	100.0
69.35851	14.8
71.04993	4.5
71.08643	7.2
79.05482	10.6
81.06579	3.3
81.07056	61.2
83.04973	2.9
83.08617	11.2
85.06541	4.7
91.05492	7.4
93.07046	29.0
93.07631	2.4
95.04968	4.2
95.08604	55.2
97.06537	7.8
97.10172	5.7
97.72795	1.3
99.08103	2.5
105.07027	13.1
107.08608	15.9
109.06518	3.8
109.10162	20.1
110.64656	1.6
111.08072	5.2
111.11713	23.7
111.50749	1.5
119.08577	10.3
121.06539	1.8
121.10146	21.6
123.08063	1.5
123.11710	20.4
131.08565	2.6
133.10135	8.2
135.11659	10.4
137.13242	14.4
139.11186	20.8
147.11682	5.2
149.13187	8.2
151.11163	4.8
153.12753	4.3
159.11700	2.5
161.13271	4.4
163.11235	2.4
163.14806	3.4
165.12747	5.2
175.14845	3.4
177.12862	1.9
185.48232	1.6
189.16283	2.4
191.17917	1.8
215.17987	2.4
235.20461	1.6
251.64450	1.5
271.24213	1.7
277.25150	2.2
289.25244	9.1
293.55334	1.6
307.26324	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	307.2631
Annotation	Trixagodiol A
Peak:m/z	Relative Intensity
53.03938	4.6
53.44732	1.8
55.05514	25.3
57.03439	3.3
57.07076	16.8
59.04990	6.3
63.16251	2.2
67.05507	30.8
69.03427	2.7
69.07068	65.6
69.47624	9.5
69.48038	6.2
71.04981	5.7
71.08626	4.7
76.79405	1.7
79.05497	21.7
81.07056	92.5
83.04966	3.7
83.08620	23.4
85.06515	4.6
91.05479	14.2
93.07047	52.3
95.04971	12.7
95.08607	100.0
97.06533	10.5
97.10178	5.6
98.20757	4.0
105.07023	20.2
107.08601	29.7
109.06525	4.8
109.09470	2.5
109.10164	30.9
111.08076	9.8
111.11701	8.0
119.08588	12.4
121.06561	3.0
121.10146	31.6
123.08063	2.6
123.11724	23.4
125.09611	3.3
131.08591	2.9
133.10132	7.9
135.11690	12.6
137.09578	2.4
137.13260	44.4
139.11157	5.5
139.66255	2.1
145.10120	5.2
147.11713	9.2
149.13260	18.6
151.11157	3.8
153.12651	2.5
159.11694	8.5
159.59030	1.9
161.13258	4.2
162.47366	1.9
163.11133	2.5
163.14874	3.6
167.14314	2.8
175.14836	4.0
177.12733	2.6
177.16397	4.8
187.14864	2.5
189.16396	2.3
215.18068	3.7
217.68195	1.8
245.22581	2.3
271.24213	3.9
289.17889	2.4
289.25266	6.4
307.18805	2.0
307.26358	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	307.263
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03951	1.7
55.01855	1.8
55.05511	16.4
57.03423	1.6
57.07067	6.4
57.49861	1.4
59.04958	1.7
67.05508	20.0
68.80727	1.4
69.03419	4.1
69.07066	75.9
70.24741	6.9
70.56689	1.7
71.04982	6.1
71.08614	3.3
79.05490	16.8
79.96488	1.5
81.07054	100.0
83.04987	4.1
83.08614	17.9
85.06551	9.5
86.56588	1.6
91.05471	11.0
93.07043	44.4
95.04961	3.3
95.08606	45.6
97.06514	7.1
97.10155	4.4
99.08072	2.1
105.07028	55.4
107.08576	30.1
109.06509	11.8
109.10149	28.6
111.08084	10.3
111.11721	12.2
119.08585	26.0
121.10143	51.8
121.11029	2.8
123.08055	4.2
123.11707	35.0
133.10124	4.7
135.11656	11.5
137.09592	2.3
137.13257	10.3
139.11148	13.5
147.11690	33.6
149.13260	6.4
151.11172	10.3
151.14879	1.7
153.12747	9.9
161.13269	2.3
163.14919	2.0
165.12753	46.6
167.14326	3.6
168.95392	1.6
183.13791	2.7
203.18140	1.8
271.24078	1.9
272.92203	1.9
289.25186	11.6
293.65771	1.7
307.26321	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	307.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.8
55.01860	10.5
55.05510	41.7
57.03436	18.1
57.07066	3.3
59.04978	4.9
67.05172	5.1
67.05505	58.1
69.03419	4.4
69.07064	43.9
70.04064	9.7
71.04981	19.6
71.58868	4.3
73.06558	4.2
79.05492	52.8
81.03413	10.5
81.07053	68.2
82.77264	2.7
83.04981	7.9
83.08612	23.8
85.06530	7.3
91.05465	68.5
93.07043	50.3
95.04955	25.3
95.08601	46.3
97.06503	16.6
97.10170	17.3
105.07024	65.0
105.07756	3.3
106.07349	3.7
107.04958	30.5
107.08570	37.7
109.06515	39.7
109.10139	28.9
111.08072	13.0
115.05478	4.8
117.07010	22.4
119.08576	54.4
120.09001	3.4
121.02842	20.0
121.06506	39.0
121.07293	5.5
121.10146	23.4
123.04467	3.5
123.08063	21.2
123.11669	4.5
125.09614	14.3
127.03910	3.7
129.07004	9.2
130.06493	5.0
131.08580	18.5
133.06508	3.5
133.10123	42.2
135.08043	25.7
135.11671	10.3
137.08675	3.1
137.09605	20.7
139.03900	10.5
139.11154	8.9
141.07028	3.4
143.08530	4.4
145.06448	5.8
145.10100	18.5
147.08005	8.6
147.11685	30.4
149.09631	11.8
149.13226	6.8
151.11205	18.0
155.08511	4.4
157.10106	7.9
159.08047	34.6
159.11684	16.8
161.09634	4.9
161.13252	8.4
163.07538	26.6
163.11168	12.2
165.09074	7.0
165.12772	14.3
169.10132	4.6
171.11678	6.5
173.09573	5.6
173.13295	10.4
175.11176	5.8
177.09096	5.6
177.12788	5.4
179.14363	3.3
183.11597	4.3
185.09622	5.8
189.11215	6.1
191.10638	3.4
193.12285	3.6
197.13257	8.7
213.05394	4.0
215.14221	4.7
215.17905	3.0
219.13780	6.2
229.19508	8.3
235.13182	3.3
239.17885	12.2
239.42366	3.1
240.06850	3.2
243.17458	4.9
247.20514	7.6
249.18663	3.7
253.15926	9.4
257.18915	11.0
261.18420	5.6
271.16934	13.0
275.20068	66.0
289.18060	37.6
289.21173	3.7
290.18311	3.7
307.09598	8.8
307.19016	21.5
307.22650	100.0
307.26190	7.5
308.15344	5.3
308.23022	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	307.2266
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03942	2.3
55.01881	3.2
55.05269	1.7
55.05511	25.3
56.76071	1.5
57.03434	2.9
57.07069	3.8
59.04988	5.7
65.03924	3.6
66.92215	1.3
67.05172	2.5
67.05503	36.4
69.03416	3.0
69.07070	22.3
69.86193	5.1
69.86598	3.7
70.04062	3.1
71.04996	13.3
73.06557	2.6
79.05060	2.7
79.05493	35.5
81.03416	2.3
81.06582	2.7
81.07055	42.8
83.04971	5.8
83.08622	11.0
85.06542	5.0
87.04456	2.9
87.08144	1.6
91.04895	2.1
91.05473	49.4
93.07038	43.2
95.04961	10.1
95.08601	27.6
97.06525	11.8
97.10168	4.8
99.08083	4.8
103.05450	3.8
105.07029	58.1
107.04956	4.7
107.08601	27.6
109.06516	18.9
109.09477	1.7
109.10164	18.5
111.08050	4.9
115.05454	1.6
117.07035	13.7
119.08585	41.7
121.02864	11.4
121.06518	10.8
121.10136	19.7
121.46538	1.4
123.08060	14.5
123.11709	6.0
125.09623	3.5
129.07027	3.6
130.06528	1.5
130.07782	2.2
131.08557	17.2
133.06479	2.3
133.10130	33.4
135.08038	9.3
135.11687	9.5
136.08792	2.2
137.09602	15.3
137.13234	2.0
139.03888	3.5
139.11192	4.0
139.92677	1.4
141.06921	1.9
143.08575	2.0
145.10118	16.2
147.08096	1.6
147.11691	24.6
149.09673	7.7
149.13217	3.1
151.11183	22.1
155.08505	1.5
157.07614	1.4
157.10104	3.8
159.08049	2.4
159.11694	10.6
161.09573	2.1
161.13272	5.3
163.07497	2.3
163.11215	12.8
165.09184	1.5
165.12779	12.4
169.10175	4.3
171.11737	4.6
173.13281	6.0
175.11201	1.5
175.14825	3.7
177.12752	3.7
179.14301	3.8
183.11751	2.8
185.13242	2.0
187.14856	4.6
189.12708	2.1
191.14322	2.7
197.13245	6.3
211.14812	1.6
213.05492	4.1
215.14333	1.5
215.18034	2.6
215.93509	1.5
229.19547	8.9
233.15366	3.1
233.18985	2.6
239.17995	11.1
247.20616	6.9
249.18552	2.2
257.18927	11.7
265.18039	1.8
275.20065	58.5
275.31552	1.6
289.18045	4.6
289.21619	1.9
289.25110	1.5
302.32123	1.9
307.09586	5.5
307.19519	3.9
307.22693	100.0
308.23065	6.0
317.01260	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	18.4
55.05507	41.4
59.23976	9.1
60.79412	8.5
65.03955	8.5
67.05502	72.7
69.03438	9.1
69.07073	32.6
70.04082	13.6
71.59130	11.0
72.02988	9.0
79.05499	66.9
81.07057	100.0
83.04981	34.6
83.08610	18.6
91.05476	41.2
93.07027	55.1
95.04977	54.8
95.08607	72.0
97.06514	9.4
97.10178	19.5
105.07033	50.2
107.04940	16.4
107.08588	50.9
109.06503	24.5
109.10165	21.3
117.06999	25.1
119.08604	38.7
121.00482	37.2
121.02903	13.1
121.06489	10.3
121.10142	28.8
123.08093	24.9
130.01010	10.8
131.08589	23.4
133.10120	42.0
135.08047	15.3
137.09618	17.6
138.06284	9.8
139.03931	20.8
143.01770	17.0
145.10121	28.4
147.11711	18.5
149.02382	20.8
149.09616	23.8
151.11209	12.0
159.11655	15.8
161.13313	12.7
165.12660	11.7
169.10092	9.7
170.46706	11.2
173.13200	10.6
177.00253	34.9
188.60362	9.9
199.01517	24.4
233.15485	10.3
275.20096	91.4
289.17984	15.0
289.21613	22.4
307.22809	63.0
307.28384	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	307.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17108	6.9
53.03931	7.7
55.01861	12.5
55.05511	88.2
56.33629	6.0
67.05517	50.7
69.03423	9.6
69.07053	12.2
71.50137	16.4
78.95937	5.8
79.05491	99.4
81.07047	40.5
83.04967	16.8
83.08611	27.5
91.05483	44.3
93.07053	51.6
95.04956	12.5
95.08595	16.8
97.06514	7.1
97.10173	66.4
105.07015	44.6
106.28842	6.0
107.04971	43.6
107.08602	78.8
109.10122	17.7
117.06990	7.3
119.08595	20.6
121.06502	8.1
121.10146	17.4
123.11688	6.1
125.09634	99.3
131.08578	15.5
133.10104	17.1
135.08058	29.0
145.10069	12.8
147.11671	17.3
149.09634	100.0
153.09079	19.0
157.12181	11.5
159.11749	7.6
161.13292	7.6
163.11218	5.6
197.68738	5.9
203.12759	53.1
225.03517	5.8
229.19521	8.5
257.19022	10.5
275.20068	61.1
307.22681	12.0
308.13998	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	307.1902
Annotation	Corrin
Peak:m/z	Relative Intensity
50.23979	8.2
55.01868	10.4
55.05518	38.9
57.03427	31.2
57.07055	11.5
65.03965	8.4
67.05522	53.4
67.17269	7.4
69.07056	30.4
70.04066	12.6
71.04974	9.1
71.59091	12.4
78.05103	6.6
79.05497	36.3
80.12690	8.3
81.06643	7.0
81.07052	49.0
83.04981	36.1
83.08613	15.9
91.05501	38.9
92.16278	7.2
93.07039	42.6
95.04967	29.1
95.08615	44.3
95.97582	8.6
97.06543	11.2
97.10153	10.3
105.07029	27.3
107.04945	17.1
107.08600	34.8
109.06511	28.3
109.10143	17.7
111.04449	19.1
111.08070	10.4
117.07043	14.5
119.08593	23.9
121.02863	16.2
121.06515	10.4
121.10168	16.7
122.03754	9.1
123.08050	9.7
129.06938	8.2
130.06505	13.3
131.08568	23.1
133.10143	24.8
135.08049	11.1
135.11668	8.4
137.05977	86.9
137.09608	9.6
138.06316	100.0
139.03961	24.8
143.08574	11.3
145.06366	8.9
145.10101	11.6
147.11661	12.8
150.13504	8.1
159.11626	9.0
160.29350	8.7
165.12781	33.8
166.13080	50.0
173.13394	9.6
200.32643	9.1
223.94609	9.8
275.19968	13.9
289.17999	21.5
289.21866	9.4
290.21878	42.5
294.97559	8.1
307.24863	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	307.2266
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03941	8.6
55.01870	10.4
55.05508	28.6
57.03426	4.2
57.07081	4.5
65.03926	3.3
67.05502	75.6
67.05868	4.1
69.03438	5.7
69.07069	28.4
69.38364	24.6
70.04065	4.0
71.04999	7.6
71.26717	2.9
76.61960	2.8
79.05495	48.2
81.03412	11.8
81.07057	100.0
81.67704	2.8
83.04979	12.0
83.08607	9.2
85.06548	5.3
91.05482	61.2
93.07042	49.9
95.04965	38.8
95.08603	49.9
97.06527	14.7
97.10177	6.3
98.21456	4.7
105.06316	3.1
105.07030	59.4
107.04945	10.2
107.08602	32.3
109.06519	21.7
109.10167	29.0
111.08018	2.8
115.05598	2.5
117.07018	15.9
119.08577	45.7
120.22445	2.5
121.06494	9.4
121.10159	26.0
123.08047	17.7
123.11709	9.2
125.09617	3.2
129.06995	6.1
131.08560	25.7
133.06412	3.1
133.10103	39.0
135.08041	10.2
135.11655	12.8
137.09624	15.9
138.06354	4.1
141.06978	3.6
143.08595	3.8
145.10147	16.5
147.11671	19.1
149.09625	13.1
149.13281	4.8
151.11191	11.0
155.08540	5.1
157.10069	5.1
159.11723	12.1
161.09564	2.9
161.13237	7.5
163.11192	6.3
165.12770	6.9
171.11749	5.2
173.13283	11.4
177.12798	5.6
183.11674	4.1
193.12064	2.8
197.13275	3.0
211.14876	3.1
214.80156	2.9
229.19623	5.3
239.17937	3.8
247.20496	15.7
257.19055	11.9
275.20044	73.3
289.21646	5.5
307.22723	47.3
307.26147	2.3
318.11069	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	307.1903
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
52.93929	10.2
55.01875	20.0
55.05510	72.0
56.96577	10.5
57.03426	50.3
57.07074	25.7
60.77568	10.8
67.05505	64.8
69.07053	51.3
69.16903	10.4
70.04073	33.3
71.05019	10.5
79.05484	90.7
81.03387	12.1
81.07053	90.8
83.04958	18.0
83.08613	43.4
85.06564	12.2
91.05476	69.5
93.07051	51.9
95.04985	25.6
95.08614	55.7
97.10168	59.4
103.05480	11.4
105.07010	69.1
107.04935	39.3
107.08601	65.4
108.21783	10.2
109.06498	21.8
109.10179	38.6
117.06979	14.2
119.08591	51.3
121.02838	31.3
121.06487	19.9
121.10162	25.0
125.09647	35.3
129.07088	14.8
131.08562	26.9
133.10123	30.4
135.08058	35.5
137.09579	16.3
139.03894	43.5
143.08556	16.2
145.10088	17.6
147.08006	14.3
147.11775	13.1
156.09308	15.6
157.10165	13.3
159.08070	40.8
159.11726	12.9
161.09654	12.0
163.11311	14.4
165.12721	13.1
169.49484	13.8
173.13258	13.2
185.09615	16.3
189.11295	22.7
207.11754	18.8
215.14371	19.7
233.15353	29.6
251.14516	17.1
271.16953	31.8
289.17923	100.0
307.19107	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1902
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03946	9.2
55.01872	12.0
55.05510	33.2
56.59649	3.0
57.03431	14.0
57.07074	8.0
59.67765	3.3
67.05502	51.0
69.03440	6.8
69.07066	22.5
69.39606	3.1
69.71452	3.1
70.04080	5.4
70.16612	13.7
71.04993	4.4
79.05491	54.7
80.69429	3.2
81.03427	11.6
81.07059	66.6
83.04968	17.4
83.08620	13.6
85.06548	8.1
90.04459	3.1
91.05481	62.0
93.07043	100.0
95.04978	41.4
95.08605	42.7
97.06535	5.5
97.10162	17.1
103.05487	11.4
105.04520	4.8
105.07024	45.7
107.04953	17.9
107.08579	37.5
109.06510	17.3
109.10178	18.5
111.08083	7.4
113.06007	3.4
117.07022	13.8
119.08593	30.2
121.02857	55.9
121.06498	57.2
121.10149	21.3
123.08103	10.2
123.11726	10.9
125.09640	13.0
129.07034	5.1
130.06548	4.2
131.08566	19.0
133.06506	17.7
133.10133	14.4
135.08052	24.6
135.11723	5.7
137.06013	4.0
137.09630	13.6
139.03891	13.4
139.07562	3.2
139.11153	3.5
143.08636	7.7
145.06483	5.4
145.10133	9.0
147.08015	12.7
147.11679	4.4
149.05972	10.1
149.09648	15.0
151.07558	7.4
151.11163	5.5
153.09084	5.5
155.08711	4.2
157.10136	7.2
159.08069	12.1
159.11755	8.5
161.09682	5.5
163.07552	37.3
163.11145	4.8
167.10693	6.3
169.10159	5.5
171.11639	4.9
173.09642	9.1
173.13226	3.3
175.11316	5.1
177.09125	6.4
179.10680	3.9
187.11174	4.7
189.11200	8.1
191.10709	7.3
218.06551	3.6
219.13777	3.9
233.15338	5.5
243.17422	5.3
261.18442	8.5
271.16916	15.2
285.15408	4.1
289.17960	72.5
307.09708	4.3
307.18958	33.8
307.26343	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	307.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.3
53.03944	2.3
55.01872	6.4
55.05267	1.6
55.05509	20.6
57.03436	9.8
57.07064	3.5
59.04988	1.3
65.03915	1.3
67.05503	16.8
69.03416	3.8
69.07067	21.8
70.70503	3.7
71.04973	3.2
79.05487	19.1
81.03429	2.8
81.07050	26.2
83.04981	5.0
83.08619	11.5
85.06527	2.2
91.05476	20.1
93.07044	16.9
95.04964	13.1
95.08591	16.0
97.06523	6.6
97.10170	12.8
97.34978	1.0
103.05443	2.0
105.07029	11.3
107.04969	4.6
107.08581	13.0
109.06503	12.2
109.10149	10.5
111.08062	3.6
111.11731	1.3
113.05990	1.2
117.07022	4.5
119.08548	7.2
121.06496	100.0
121.10126	6.2
122.06823	1.3
123.04424	1.9
123.08060	3.3
123.11720	4.7
125.09621	8.6
129.06987	2.0
131.04926	1.8
131.08565	3.9
133.06490	2.0
133.10114	4.4
135.08026	7.5
135.11699	2.6
137.09647	5.6
137.13239	2.4
139.03894	5.0
139.11191	1.3
141.06969	1.5
143.08543	2.7
145.06506	1.1
145.10143	5.1
147.08054	3.6
147.11679	3.4
149.09596	2.2
149.13214	2.8
151.11180	3.0
157.10213	2.1
158.06085	1.3
159.08046	27.5
159.11687	3.9
161.09627	3.3
161.13263	1.7
163.07530	2.5
163.11276	2.5
163.14833	1.9
169.10152	1.5
170.32176	1.3
171.11665	2.1
173.09550	1.9
173.13251	2.6
177.09187	1.2
179.03358	1.1
185.09573	2.4
187.11099	1.5
189.11191	2.4
197.09676	1.4
205.15897	1.2
215.14403	2.8
219.13663	1.8
223.13367	1.4
233.15384	2.5
234.33537	1.2
243.17371	2.3
253.15804	5.5
261.18576	2.2
271.16934	6.9
289.17963	22.4
289.24994	1.4
307.09586	2.1
307.15881	1.5
307.18903	5.6
307.26450	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	307.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.8
55.01863	18.9
55.05505	39.3
57.03434	20.5
58.27592	4.1
59.04999	4.7
67.05504	53.7
68.53201	4.3
68.99786	5.1
69.03424	8.5
69.07063	27.9
70.04070	7.8
70.19211	21.0
71.04980	7.0
79.05067	4.6
79.05490	53.5
81.03405	15.0
81.07048	75.2
82.22917	3.9
82.45882	4.4
83.04971	12.5
83.08617	19.0
85.06521	9.1
91.04543	4.1
91.05473	68.6
93.07040	100.0
93.07623	6.5
95.04974	47.2
95.08604	53.3
95.17645	3.9
97.06506	18.7
97.10159	18.5
98.20818	5.6
103.05437	17.2
105.07040	47.6
107.04935	27.0
107.08584	36.6
108.52421	3.8
109.06524	25.4
109.10155	22.6
111.08073	17.0
117.06998	23.4
119.04930	5.2
119.08571	24.8
121.02852	52.5
121.06499	68.2
121.10110	29.6
123.04382	6.5
123.08057	13.7
123.11681	14.8
125.09602	15.7
125.65655	4.3
128.06165	7.4
129.06993	10.0
130.06422	4.6
131.08542	24.6
133.06511	21.0
133.10103	17.4
135.04385	5.3
135.08029	31.7
135.11694	10.0
137.05963	6.6
137.09610	23.6
137.13156	4.6
139.03896	17.7
139.07451	5.6
143.08563	10.6
145.10101	18.6
147.08052	18.4
147.11664	4.3
149.05980	9.0
149.09599	18.1
149.13167	4.9
151.07516	9.0
151.11197	8.0
157.10120	4.9
159.08018	11.3
159.11687	9.2
161.09590	12.6
163.07520	33.6
163.11201	6.7
167.10666	9.8
169.10074	5.1
173.09616	13.5
175.11128	6.6
177.09074	8.1
187.11131	5.2
191.10712	5.6
225.16347	4.7
233.15321	10.0
243.17485	9.0
261.18591	9.8
271.16827	11.2
289.17972	83.7
307.16418	4.2
307.19141	42.9
307.26425	5.5
319.22205	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	307.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95536	0.7
56.05026	2.6
56.96551	1.2
58.06604	4.5
58.06860	1.0
67.05508	0.8
69.71584	5.1
70.04048	1.1
70.06566	0.8
72.36900	0.6
83.04990	0.7
84.03980	0.7
84.04501	25.5
84.08138	100.0
85.08476	0.9
86.06059	6.8
86.09698	5.6
87.00808	1.8
88.03998	2.5
94.06580	1.4
95.04917	0.9
96.04463	0.9
99.09219	1.0
103.05425	1.2
108.04504	1.0
111.04437	0.9
112.76583	0.7
115.05444	1.0
122.06040	1.0
127.03887	1.2
130.06520	53.3
130.08618	1.8
131.04968	0.8
131.06856	1.3
132.04446	14.1
132.05406	1.2
132.08154	1.5
135.04390	0.9
136.06209	1.5
139.03893	41.5
141.13847	6.8
144.10152	0.9
146.06012	2.8
151.03886	2.0
157.07599	45.9
158.06003	50.9
159.04462	1.4
159.06367	1.6
159.09210	2.5
161.05951	0.8
163.03938	4.5
169.13356	8.7
173.07115	1.6
175.08659	20.9
176.07101	1.7
181.04976	2.5
185.07146	2.0
195.06659	1.4
197.07080	1.6
199.08656	1.2
201.06596	3.1
203.08134	5.8
205.11096	0.9
215.13893	34.8
221.09196	1.0
225.06607	0.8
227.08192	1.5
243.07689	4.9
243.17036	42.1
244.17299	1.1
245.09258	3.1
245.12848	1.8
261.08685	15.9
262.11142	2.7
271.07123	2.1
289.08215	3.7
289.11530	1.1
307.09467	1.4
307.13153	1.3
307.16837	9.6
308.76123	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1286
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
50.24927	0.4
55.01873	2.6
59.79175	0.3
66.61681	0.4
69.24787	4.9
79.05475	0.6
80.05007	0.6
81.47339	0.4
84.38713	0.5
88.43010	0.4
92.27618	0.4
93.07050	0.5
94.06567	0.7
96.04516	0.7
98.06047	1.0
106.06557	0.9
107.08572	1.3
108.04477	1.2
110.06087	0.8
114.19319	0.4
120.04490	0.8
122.06042	3.3
123.04462	0.7
129.07004	1.1
132.08107	1.3
133.06606	0.5
134.09639	0.5
135.08069	2.9
135.08989	0.6
136.07579	1.1
138.05464	0.5
140.07071	2.9
144.07994	0.5
146.05936	0.7
146.09648	0.9
148.07588	0.5
148.20854	0.4
149.07143	0.5
150.05513	0.6
150.09180	0.5
156.08055	1.2
157.08707	0.4
158.09662	0.9
160.07578	2.8
162.09099	1.1
163.08640	1.3
164.07112	0.5
166.05075	0.5
168.06566	2.9
170.09607	1.0
173.07040	0.6
173.10739	0.6
174.05562	0.5
174.09152	3.7
176.07137	0.8
177.06543	0.6
177.10231	2.1
178.07042	0.9
178.08624	17.4
182.08136	1.1
184.07568	1.9
186.09200	0.7
187.08669	1.6
188.07074	4.0
190.08681	0.6
191.08162	0.9
191.11803	0.5
196.09784	0.7
198.09117	2.3
201.06534	1.4
201.10297	4.7
202.08649	6.7
205.09711	4.1
206.08162	3.3
211.08566	0.4
212.07072	1.6
214.07281	0.7
215.08157	0.9
215.11868	0.5
216.10287	3.1
217.09764	1.0
219.07686	1.3
219.11282	5.0
220.09732	2.4
225.10295	0.7
226.08563	3.3
228.10184	0.5
229.09760	6.8
230.08078	4.4
241.68401	0.4
243.11314	2.2
244.09665	5.1
247.10794	14.4
248.09126	1.2
248.11307	0.6
254.08128	0.8
261.12350	1.7
262.10803	2.1
265.11841	17.3
271.10733	2.2
272.09238	1.5
272.18021	0.4
289.11826	19.6
290.10129	0.5
307.12872	100.0
308.13205	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84325	0.3
55.01866	1.7
62.18093	0.4
67.01850	0.4
67.48649	0.4
67.62204	0.4
67.62639	0.4
69.76153	2.5
79.05511	0.4
83.04955	0.4
94.06567	0.5
96.04501	0.4
98.06052	0.9
98.19473	0.4
107.08543	0.6
108.04485	1.1
110.06039	0.4
113.87033	0.4
120.04471	0.4
122.06042	2.8
124.07571	0.9
129.06984	0.6
130.06454	0.5
132.08118	0.6
132.44632	0.3
133.36389	0.4
134.09531	0.3
135.08084	1.7
136.07564	1.2
138.05479	1.0
140.07050	2.6
146.05978	0.4
146.09622	0.6
148.07515	0.4
150.09146	0.4
156.08104	0.5
158.09634	0.8
159.09158	0.7
160.07564	1.6
162.09175	0.6
163.08656	1.1
164.07088	0.4
165.83400	0.4
168.06604	2.0
170.08374	0.4
170.09671	0.6
172.07605	0.4
173.07149	0.4
173.10706	0.4
174.09116	1.9
176.07060	0.7
177.10237	1.5
178.08627	14.4
182.08162	0.7
184.07567	1.6
187.08675	1.3
188.07095	3.0
190.08659	0.6
191.08212	0.9
196.09660	0.6
198.09122	2.5
200.07060	0.6
201.06622	1.4
201.10175	2.9
202.08629	5.2
204.10216	0.8
205.09697	3.5
206.08080	2.0
212.07137	1.0
214.07257	0.4
215.08141	0.6
215.11719	0.6
216.06827	0.4
216.10297	2.3
217.09898	0.5
218.08363	0.4
219.07722	0.6
219.11269	4.3
220.09694	1.9
226.08563	2.3
228.10258	0.5
229.09738	4.6
230.08186	3.8
243.11249	2.1
244.09709	4.2
247.10776	12.2
248.09134	0.9
254.08183	0.8
261.12274	1.6
262.10754	1.6
265.11832	14.1
271.10715	1.5
272.09204	1.5
289.11823	14.9
290.10022	0.6
307.12869	100.0
308.13232	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	307.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18814	1.9
56.96572	9.3
57.03421	3.3
58.99854	1.9
61.02909	8.3
62.83517	1.9
66.00417	1.7
66.86394	1.6
67.04255	1.8
67.86961	1.6
69.03391	3.6
70.95553	5.3
77.00891	3.1
81.03417	3.7
82.06585	19.8
85.02883	5.0
97.02873	2.8
98.97594	4.3
100.07626	9.3
101.00888	14.3
103.02460	2.4
113.02332	2.0
115.02421	8.6
116.98634	4.3
119.01918	85.6
120.01984	4.1
121.01630	2.6
121.03465	2.2
127.03905	2.2
128.07033	2.2
129.04012	2.0
130.06528	100.0
131.01884	7.3
132.04451	28.8
132.08104	11.4
133.03470	19.9
135.05052	2.2
137.02943	28.1
139.03853	2.2
143.01912	5.2
144.99832	2.5
145.03477	10.6
146.05986	7.3
146.08130	9.4
147.01389	2.2
147.05075	2.8
149.02922	2.7
151.04492	3.0
155.01892	2.7
157.03459	11.7
157.07610	93.6
158.06020	88.9
158.08076	3.3
159.06326	2.4
159.09180	16.8
161.02951	14.7
163.04494	4.2
165.00673	2.3
168.99821	5.6
171.05093	2.3
173.02968	7.9
173.07117	2.4
174.03928	2.1
175.04509	8.2
175.08672	34.8
177.02402	8.8
181.03645	2.3
184.07603	3.3
185.02925	5.6
185.07106	14.6
187.00876	19.3
187.04501	3.3
189.02429	4.2
191.04019	4.5
193.00153	3.2
196.99315	2.9
197.02948	3.1
197.07019	5.0
199.08658	3.5
201.02466	4.1
201.06400	3.9
203.04024	2.4
203.08159	9.7
205.01959	9.0
205.05490	2.6
215.00389	25.5
217.05588	7.0
219.03506	5.6
221.05109	4.4
221.09286	2.2
225.06487	3.1
227.08147	12.0
229.01884	5.7
233.01483	4.2
235.06639	4.1
243.07581	11.3
245.09258	18.1
247.03018	38.1
248.03076	1.9
253.07710	11.9
261.08722	21.2
265.04047	8.3
271.07001	9.1
279.09265	8.3
289.03970	3.9
289.08078	7.2
295.08810	3.8
304.69284	2.0
307.05246	2.8
307.10040	26.5
308.13419	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	307.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
70.89684	2.0
87.00801	1.5
89.76649	0.8
94.06546	3.0
100.55386	0.9
115.05441	1.0
130.06523	100.0
131.06874	3.1
132.04448	26.2
139.03865	1.8
146.06009	5.7
157.07611	83.1
158.06009	98.7
159.06325	2.8
173.07126	4.7
175.08664	49.8
176.07207	1.0
176.08989	1.2
197.07098	2.5
199.08672	2.5
201.06528	4.7
203.08113	4.5
221.09169	4.6
225.06479	1.5
243.07642	13.7
245.09161	2.4
247.07153	3.9
261.08704	37.2
262.09048	1.7
271.07181	1.4
289.08154	8.7
307.09225	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	307.081
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
50.42509	0.5
50.58119	0.4
53.00305	1.0
55.01873	0.9
59.50934	0.5
64.17339	0.4
65.03936	1.0
67.05508	0.7
68.99797	0.8
70.06569	0.6
70.09332	0.6
70.09708	2.0
71.77132	0.4
77.91399	0.4
83.04956	0.5
93.03369	0.7
95.04957	1.5
107.04927	1.6
108.83881	0.4
111.04438	1.6
117.03370	0.7
121.02861	1.5
123.04424	1.4
127.03940	0.6
130.06573	0.4
131.04942	0.7
133.02861	1.2
135.04414	2.7
139.03900	100.0
140.04211	0.6
145.02840	0.5
149.06055	0.5
151.03915	2.9
153.05441	1.8
157.07661	0.5
159.04466	2.8
163.03900	10.1
163.52617	0.5
167.07056	0.7
169.04956	1.6
177.05466	3.3
181.04944	4.5
182.95204	0.4
195.06563	2.4
205.04959	0.7
223.06104	0.9
247.05991	0.7
297.94760	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38806	1.4
53.16618	1.4
56.96557	1.7
58.99575	2.0
62.11900	1.3
66.25013	1.4
66.31326	1.4
67.05486	1.6
69.03422	2.1
69.07081	2.4
69.54072	11.8
70.06587	1.8
72.93784	3.2
76.02222	7.3
79.05489	3.0
81.03416	1.8
81.07009	1.9
84.04512	3.5
85.02888	5.3
86.07669	1.4
87.00845	3.0
91.05466	4.4
93.07034	3.3
94.06577	1.8
95.04952	2.1
95.08594	3.2
97.02853	2.3
98.20756	2.8
99.04433	2.3
103.03964	2.7
103.05436	2.4
105.07020	1.9
105.68267	1.6
107.04958	14.3
109.02895	2.2
121.06506	1.5
127.03905	7.2
128.04260	1.3
130.06523	100.0
131.04881	2.0
131.06834	1.7
132.04451	27.4
132.08093	1.8
133.06465	1.9
139.03903	7.4
146.06018	12.3
147.06303	3.1
148.07513	1.8
157.07603	81.3
158.06010	97.6
159.06357	2.6
159.09186	3.2
162.02171	3.4
173.07109	5.8
175.08676	49.3
176.07065	1.7
178.97665	1.7
179.04849	3.1
185.07114	1.7
186.05394	1.7
192.99464	15.7
197.07118	2.6
199.08644	4.0
201.06601	8.9
203.08115	3.8
204.06625	1.6
217.09561	1.8
221.09169	3.8
222.06555	1.3
227.08098	3.0
238.99974	1.9
243.07578	14.5
245.09219	4.3
247.07260	3.0
261.06174	2.7
261.08698	32.6
262.08908	1.8
263.10007	1.6
271.07059	4.4
289.08090	6.3
290.07648	1.7
307.06216	2.5
307.09030	1.9
307.11902	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0813
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
53.00300	0.8
55.01857	1.0
62.12848	0.4
64.12144	0.5
65.03940	1.3
67.05497	0.6
68.99780	1.2
70.37560	1.6
78.08247	0.4
83.05012	0.7
84.08138	0.9
93.03399	1.0
95.04974	1.6
98.20824	0.5
107.04957	1.2
111.04449	1.6
121.02854	1.1
123.04427	1.5
127.03925	0.5
130.06511	6.4
131.04913	0.6
132.04457	1.5
133.02887	0.9
135.04402	2.9
139.03902	100.0
140.04228	1.5
146.05986	0.7
149.06001	0.7
151.03914	3.6
153.01820	0.7
153.05461	1.3
157.07594	4.6
158.06018	5.1
159.04425	2.2
163.03908	10.0
167.07074	0.6
169.05005	2.1
175.08679	2.2
177.05479	2.9
181.04964	5.0
185.07098	0.7
192.57799	0.4
195.06528	3.2
199.08632	0.5
203.08145	0.7
205.04874	0.7
223.06050	1.3
243.07722	0.6
247.06033	1.0
261.08871	1.1
271.07004	0.8
289.07608	0.6
329.15231	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53181	1.5
56.96568	32.3
64.59801	1.8
71.27315	5.0
84.08108	3.1
84.96017	11.1
98.97582	94.0
104.33214	1.7
110.97571	18.0
116.97813	3.5
116.98621	50.1
119.01908	3.9
128.98613	23.9
132.01889	1.8
134.99629	19.0
137.02870	1.8
139.03906	31.4
140.98578	3.8
142.01080	2.0
143.00218	10.3
144.98103	3.1
146.99640	20.5
149.01198	3.7
149.89526	1.9
152.98598	11.8
157.03481	2.0
158.99672	13.4
160.02213	2.3
161.01237	15.2
161.02972	4.4
162.99158	4.4
163.03926	3.9
165.00757	2.3
170.99612	14.4
171.22917	1.7
173.01369	1.8
175.04523	4.3
177.00713	12.1
179.02275	2.2
189.00717	8.1
201.00684	4.2
218.05038	1.8
219.01733	17.5
237.02802	46.1
247.04895	6.6
255.03802	5.9
257.65497	2.1
260.04642	2.1
265.05951	100.0
283.07007	35.1
307.06931	40.9
325.08099	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	307.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23939	13.5
56.59361	12.5
60.18678	16.7
60.85595	11.7
68.66498	10.9
70.52864	36.0
70.53217	22.5
75.48465	13.7
119.01928	43.1
131.01854	16.0
136.10251	11.2
145.03424	19.9
157.03513	17.0
161.02963	36.9
173.02962	18.3
175.04539	20.2
185.87497	12.2
202.89136	20.9
261.76462	15.9
279.08878	13.7
307.07861	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.7
55.01853	0.8
55.05522	0.7
56.96548	1.0
58.20661	0.6
65.03941	1.4
67.05494	1.3
68.99783	1.4
69.03429	0.6
70.06583	1.0
71.34792	0.7
72.04511	1.1
76.05141	3.0
77.00903	0.7
79.05505	0.9
85.02917	0.7
95.01955	0.6
95.04950	1.2
101.00874	3.7
103.02435	2.0
107.04971	1.6
111.04468	1.3
113.00864	0.6
115.02416	2.1
118.04995	0.8
119.01920	21.7
121.02739	0.7
121.03476	2.2
123.04414	1.6
127.02446	0.7
127.03925	1.5
129.03957	0.7
131.01907	8.1
131.04898	1.2
133.03529	5.5
135.04431	2.4
137.02951	7.1
139.03897	100.0
140.04161	0.9
143.01915	3.5
145.03467	8.4
147.05028	1.3
149.02950	3.4
149.06007	1.3
151.03891	2.1
153.01750	0.6
153.05458	1.1
155.01863	3.1
156.02577	0.6
157.03453	10.6
158.06024	0.8
159.04214	1.1
159.05096	1.7
160.07202	1.4
161.02954	7.5
163.03845	8.5
169.03496	1.8
169.04922	1.5
171.05103	0.6
173.02928	6.8
175.04567	5.5
177.02457	1.8
177.05438	3.3
177.09825	1.3
179.04088	0.7
181.04897	4.3
185.02971	2.8
186.07645	0.9
187.00974	3.2
187.02536	0.7
187.04486	2.0
189.02477	0.7
189.06049	0.8
190.98561	0.9
191.04053	3.9
193.05511	2.0
195.06517	2.9
201.02426	0.9
201.05869	0.7
202.89148	0.8
203.04008	6.3
205.01949	2.7
205.05132	0.9
208.99792	1.0
215.00339	3.6
217.02010	1.2
217.05617	1.3
219.03467	1.7
221.05072	1.9
223.06087	1.3
229.01939	2.3
231.03499	1.1
235.06667	2.8
239.06084	1.5
245.05032	2.8
247.02957	8.8
247.05203	0.6
253.07672	2.9
265.04172	1.5
277.07678	2.8
279.09265	1.7
289.04089	2.9
295.08752	2.3
307.05026	1.6
307.08389	1.5
307.12668	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96688	1.3
56.96547	1.7
61.02925	2.4
69.03429	3.9
70.02961	1.4
71.56873	2.0
73.02910	8.6
74.06052	2.0
77.00919	3.0
81.03395	1.9
84.04498	12.4
85.02893	5.1
97.02882	10.1
100.00095	4.9
101.00896	6.5
103.02434	3.5
105.12801	1.5
113.03491	6.3
115.02447	5.9
118.01123	18.3
119.01915	42.0
120.01974	1.4
121.03448	2.5
130.05026	4.8
131.01904	6.8
133.03456	27.1
134.99753	1.8
136.02151	2.9
137.02960	15.3
142.01071	9.9
143.01936	4.5
145.03474	6.1
147.01443	2.1
147.04999	2.5
149.02943	2.6
151.04527	5.4
155.01900	2.4
157.03447	37.1
159.69017	1.4
160.02177	26.6
161.02986	13.1
163.04529	3.0
173.02959	14.1
174.03421	1.5
175.04514	100.0
176.04712	3.4
176.97995	1.5
177.00986	7.1
177.02296	2.0
178.03238	6.3
180.00739	2.0
187.04524	2.6
188.08171	1.9
189.02446	2.3
191.04015	14.9
197.02945	2.1
198.06113	4.5
201.02510	8.1
214.96472	3.0
217.96416	4.5
219.01938	6.7
219.03787	9.0
220.02182	4.2
221.01860	2.9
222.01907	10.6
231.04256	1.5
234.95291	1.8
235.99026	1.6
243.03651	4.4
258.97314	3.3
259.97501	9.0
259.99991	1.6
261.02896	30.9
262.03082	2.2
265.04126	2.7
284.04623	1.8
289.04028	9.8
300.98639	2.7
301.98724	11.6
307.05121	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	307.051
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	7.7
57.03429	3.1
61.02929	10.1
64.73514	1.2
69.03426	4.4
69.93529	2.9
69.93942	5.3
73.02885	1.5
74.93191	1.3
77.00889	1.9
81.03411	1.9
82.06561	6.2
85.02901	4.0
87.00812	2.8
96.04390	1.3
97.02890	2.8
98.97586	4.6
100.07560	1.7
101.00889	14.4
103.02449	1.6
104.93271	1.7
105.00340	1.8
113.00921	1.7
113.02342	2.5
115.02425	10.9
116.98621	4.1
118.67957	1.2
119.01923	100.0
120.02048	2.8
121.02376	1.4
121.03454	1.6
129.03949	3.4
130.06525	59.7
131.01849	7.3
132.04446	19.1
132.08080	6.1
133.03479	24.8
134.03653	1.4
134.99663	2.5
135.04991	2.3
137.02956	35.6
139.03917	2.2
142.03520	3.0
143.01971	6.4
144.99837	4.2
145.03516	8.4
146.05998	3.9
146.08112	3.0
146.99655	3.8
147.01321	2.2
147.05011	5.7
149.02953	3.2
151.04489	4.3
155.01884	3.9
156.02794	2.4
157.03496	10.1
157.07611	54.6
158.06017	56.6
159.01270	1.9
159.05075	1.9
159.09192	14.7
160.07707	1.6
161.02956	19.9
163.04514	3.3
165.00667	2.0
168.99828	6.7
169.03534	2.6
173.02931	8.4
174.99149	1.3
175.04532	10.2
175.08662	22.8
177.01010	2.2
177.02432	12.6
181.05659	1.5
184.02177	1.5
184.07652	1.6
185.02982	4.6
185.07146	9.1
186.05492	1.7
186.07652	1.5
186.99287	2.6
187.00880	20.0
187.02538	1.2
187.04466	2.5
189.02477	4.3
191.02390	2.4
191.04028	5.9
193.00146	3.3
196.99318	4.5
197.07120	3.2
200.07082	1.5
201.02423	2.3
201.06378	2.4
201.10197	2.7
203.03979	5.2
203.08205	6.1
205.01968	9.9
205.05664	3.2
211.04700	2.1
215.00380	24.7
217.01932	2.3
217.05597	3.2
219.03581	9.4
220.03349	1.4
221.05119	4.3
221.09229	1.9
227.08171	8.8
229.01883	7.1
233.01407	4.2
235.06606	3.4
238.01970	2.4
243.07526	7.0
245.09209	11.4
247.03006	44.2
247.06915	2.5
253.07730	9.9
261.08691	12.1
263.06110	1.4
265.04163	8.4
270.04572	3.1
271.06970	7.3
277.07874	1.7
279.09274	6.7
289.04031	5.2
289.08173	4.5
295.08716	2.0
307.04984	2.8
307.09723	24.2
308.13321	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	307.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35445	1.0
54.16539	1.1
55.40285	0.9
56.78885	1.0
56.96564	5.2
57.03409	1.7
58.99847	1.5
61.02923	6.3
69.03418	4.6
69.89912	6.2
73.02910	1.6
77.00903	3.3
81.03405	1.2
82.06580	2.1
82.99836	1.5
83.01357	1.4
83.08629	0.9
83.88208	1.0
84.04507	1.3
85.02893	3.9
89.00857	1.0
91.36166	1.0
93.80791	0.9
95.01918	1.6
98.97556	3.9
100.07581	1.1
101.00877	13.4
103.02433	1.6
113.02333	3.7
115.02425	10.7
116.98594	3.0
117.03939	1.7
119.01914	100.0
120.02041	3.5
121.01653	1.3
121.79507	1.2
127.02336	1.4
129.03989	3.4
130.06519	26.7
131.01903	7.4
131.03424	1.3
132.04453	10.4
132.08044	2.1
133.03473	20.6
134.99702	2.3
135.05016	2.5
137.02950	31.4
142.03539	2.5
142.06566	1.1
143.01877	6.4
144.99811	4.1
145.03487	8.2
146.05975	2.4
146.99628	2.1
147.05084	6.0
149.02942	3.6
151.04523	2.3
155.01872	2.8
157.03482	9.2
157.07610	25.9
158.04790	1.7
158.06010	22.7
159.01361	2.5
159.05055	1.7
159.09195	5.3
161.02956	17.4
163.04559	1.5
165.00659	1.9
167.01962	1.2
168.99767	5.8
169.03513	1.5
171.01343	1.7
172.99254	1.4
173.02940	5.7
174.99139	1.3
175.04547	6.4
175.08670	8.4
177.01009	1.8
177.02438	8.4
179.04025	1.6
185.02959	2.6
185.07088	4.1
187.00862	21.5
187.02522	0.9
187.04439	1.5
188.01079	1.4
189.02409	3.6
191.04001	4.1
193.00130	1.3
196.99297	4.5
201.02429	1.9
203.04004	3.5
203.08116	2.9
205.01930	9.5
205.05603	1.9
207.01706	1.5
215.00363	26.9
216.00439	1.2
217.01952	2.2
219.03494	8.1
221.01512	1.1
221.05040	4.4
227.08167	1.9
229.01967	7.7
232.99295	1.1
233.01373	2.1
235.06557	4.5
238.01941	2.0
239.06096	2.0
243.07622	2.3
245.09071	2.4
247.03001	42.4
247.06917	3.1
248.03207	2.5
251.02432	1.2
253.07738	4.9
254.50014	1.1
261.08707	4.8
265.04062	9.5
265.07535	1.5
270.04538	2.4
271.06998	2.3
277.07779	1.1
279.09296	2.9
289.04022	4.4
289.08157	2.9
307.05093	4.3
307.09576	9.7
308.13339	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12484	0.5
69.07058	1.3
70.88316	1.4
79.05473	0.5
93.07010	1.0
94.04193	2.5
100.07605	0.6
105.07059	0.6
107.08611	0.9
109.06496	0.6
109.10143	0.6
114.09175	0.6
122.03646	6.7
133.10121	0.7
135.11682	1.6
137.05975	100.0
138.06316	0.8
153.12709	1.1
170.15405	2.6
182.15462	2.6
193.59831	0.5
257.87219	0.6
306.20612	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01872	0.5
55.05510	8.3
56.05005	0.3
57.07053	1.1
65.03931	0.7
67.05502	11.6
69.07066	8.8
69.36404	2.2
69.36806	0.5
71.08617	0.5
79.05492	2.4
81.06586	0.5
81.07054	9.3
82.06570	0.5
83.08199	0.3
83.08624	2.9
85.05286	3.2
86.06062	0.9
91.05464	1.4
93.07043	1.9
95.04951	0.3
95.08038	0.5
95.08602	4.9
96.08127	0.6
97.06548	0.3
97.10146	1.0
98.06049	18.1
99.06882	0.3
105.07011	0.9
107.08574	0.9
108.08096	0.4
109.10155	1.8
110.09678	0.4
112.07614	2.0
119.08584	0.4
121.10090	0.4
122.09676	0.3
123.11709	0.3
124.07632	0.3
126.09149	0.7
133.10101	0.5
135.11650	0.6
137.05994	1.4
138.09187	0.7
140.10701	0.7
152.10699	0.5
153.01733	0.2
154.12216	0.9
166.12318	0.5
168.13869	0.5
182.15327	0.6
194.15361	0.4
196.16963	0.8
208.17009	1.1
222.18504	0.9
236.20035	0.6
241.89012	0.3
278.00632	0.3
293.23047	0.3
306.27893	100.0
307.22549	0.4
307.28214	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.9197
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	30.9
70.91936	20.0
70.92274	9.1
70.95841	11.2
72.93761	18.3
81.07064	16.7
98.97604	49.7
116.98626	66.3
132.81438	7.3
132.95831	21.4
134.99677	100.0
137.05972	16.1
149.97118	10.8
150.96870	44.4
153.00711	21.7
158.01192	10.0
173.98499	14.3
178.99925	9.1
199.85522	9.4
209.41820	8.3
216.86540	23.6
217.86697	8.9
218.86324	13.1
222.89870	23.0
240.90935	70.9
241.91096	13.3
242.91025	16.7
259.87735	14.6
260.87262	36.8
261.03159	40.6
278.87936	23.9
282.91956	13.7
283.91306	13.4
284.87363	11.0
301.88834	40.7
302.88266	41.3
306.92145	26.2
307.00418	13.4
324.93228	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	305.2474
Annotation	Vitetrifolin G
Peak:m/z	Relative Intensity
55.01855	4.8
55.05510	21.9
56.05032	3.8
56.96556	7.1
57.07052	10.8
61.15082	3.3
63.04295	3.8
67.05502	26.7
69.07075	30.5
70.06579	4.2
71.04983	8.0
71.35957	4.0
71.58398	4.3
78.98668	3.9
79.05502	19.1
81.03402	6.1
81.07059	61.7
83.04963	4.0
83.08608	8.9
85.06542	4.4
91.05487	20.5
91.75225	3.7
91.80041	4.1
93.07031	41.0
95.04943	13.1
95.08617	46.5
97.06498	9.4
97.10169	4.3
98.97596	4.1
99.08083	17.4
105.06509	3.3
105.07040	39.4
107.04939	9.1
107.08588	46.0
109.02884	6.7
109.06503	9.3
109.10156	26.5
111.08072	8.1
113.09627	6.2
116.98630	6.4
117.06991	9.8
119.08591	41.8
121.06570	5.0
121.10152	31.7
123.04410	14.6
123.08092	4.4
123.11696	14.7
127.03916	100.0
127.07526	6.0
128.98526	4.3
129.07031	5.1
131.08534	20.6
133.10126	20.0
134.99638	5.0
135.07993	4.0
135.11684	15.2
137.05974	7.0
137.13243	5.4
139.03923	18.4
143.08527	7.9
145.10114	34.1
147.11693	23.0
149.09608	4.6
149.13228	16.5
151.03908	39.8
151.11183	4.0
153.01805	15.0
155.03346	6.9
157.10089	14.6
158.09949	10.0
158.99644	5.0
159.11662	25.4
161.13235	15.2
163.11174	7.6
163.14813	16.0
165.05440	6.6
171.08054	5.3
171.11656	10.7
172.08861	6.8
173.13278	8.4
175.03915	8.1
175.14746	10.1
177.00694	4.6
177.12675	5.2
179.03384	32.7
179.14255	4.3
187.14828	13.5
189.16426	6.3
199.14850	5.9
201.16388	71.2
203.03416	8.2
203.10674	9.6
203.17972	6.8
213.09116	11.4
213.16341	11.0
215.17923	9.7
217.19559	5.6
219.17419	26.1
231.10078	7.9
235.16919	7.3
241.08574	6.5
258.88443	4.1
259.09698	24.6
269.22629	18.1
287.05389	11.9
287.16815	4.6
287.23721	48.3
305.06400	21.4
305.10278	12.8
305.15274	6.2
305.24719	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	306.1123
Annotation	N-Acetyldehydroanonaine
Peak:m/z	Relative Intensity
51.06917	1.1
70.49410	2.0
70.49798	2.6
82.91360	1.1
89.79581	1.2
93.14981	1.1
98.21413	1.7
108.43079	1.0
137.05948	1.4
149.99008	1.3
155.22543	1.2
203.56973	1.3
210.06721	1.4
220.07614	1.3
233.08290	2.8
248.07043	1.6
262.08575	8.9
276.06555	42.6
290.08118	5.0
291.08847	4.3
306.11252	100.0
306.27902	2.7
307.11813	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2474
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
50.55401	1.8
52.35115	1.6
53.03934	4.0
54.03542	1.5
55.05506	14.8
57.03421	2.2
57.07063	6.1
59.05006	2.1
65.03944	3.9
67.05500	23.6
69.03419	4.4
69.07066	36.7
69.56133	13.5
70.06564	3.3
71.05000	12.5
71.08606	1.8
77.52466	1.9
79.05489	18.6
79.59520	1.6
81.03423	2.1
81.06580	4.1
81.07054	78.3
83.04988	4.0
83.08627	8.7
85.06541	3.7
91.05474	21.2
93.07043	100.0
95.04968	92.9
95.08601	55.7
95.09058	1.1
97.06524	9.4
97.10165	4.1
99.08083	3.1
105.04510	2.1
105.07034	28.3
107.08589	48.1
109.06512	12.9
109.10149	34.2
111.08083	8.8
111.11718	3.7
117.06989	2.3
119.08578	26.2
121.06508	2.6
121.10141	33.1
123.04425	2.9
123.08047	6.8
123.11706	27.2
125.13273	2.2
127.03924	22.9
127.11212	3.1
129.07037	2.7
131.08591	6.5
133.10132	14.9
135.11676	26.4
137.09621	10.1
137.13246	9.4
139.03870	3.7
139.11163	4.3
143.08580	2.3
145.10139	7.4
147.11690	20.9
149.13251	30.7
151.03902	8.5
151.11177	5.9
153.12758	7.1
157.10107	5.7
159.11696	12.9
161.13255	7.6
163.11205	2.7
165.12749	6.0
167.10641	2.2
171.11760	2.6
173.13289	7.4
175.14804	6.9
177.12802	3.2
177.16396	3.2
179.03383	7.5
182.80580	1.9
185.13306	2.1
187.14726	2.5
189.16486	3.1
193.15828	2.6
199.14716	4.4
200.20157	3.2
201.16426	4.9
203.17999	2.2
213.16370	6.6
217.19583	2.0
229.19487	2.2
244.22740	5.6
269.22644	5.0
277.25336	3.0
287.05817	2.1
287.23615	14.8
305.06470	5.3
305.21384	2.8
305.24753	34.9
306.26355	13.9
322.58017	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2475
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03939	3.6
55.05513	25.3
55.36617	2.8
57.03440	6.6
57.07061	9.6
59.05000	3.5
67.05507	36.1
69.03432	8.3
69.07070	54.9
69.82475	18.3
71.04996	17.4
79.05489	39.8
81.03419	3.5
81.07056	79.7
83.04975	11.3
83.08624	12.5
85.06525	3.2
91.05492	25.3
93.07044	100.0
95.04964	16.4
95.08608	84.4
97.06523	8.3
97.10155	4.1
99.08081	3.3
105.04501	2.8
105.07038	38.2
107.08598	70.7
109.06518	9.9
109.10162	38.5
111.08067	8.2
111.11706	5.8
117.07018	3.3
119.08566	30.5
121.06513	3.0
121.10137	86.5
123.04411	6.0
123.08106	6.1
123.11692	29.8
125.05978	3.9
125.09609	3.3
126.18930	2.9
127.03912	46.1
128.04297	3.2
131.08598	7.7
133.10139	22.7
135.08107	2.7
135.11682	45.2
137.09636	9.9
137.13240	8.9
139.03915	4.8
139.11189	17.5
144.78088	2.6
145.10129	14.8
147.11681	18.5
149.09683	3.7
149.13246	17.9
151.03932	13.6
151.11192	8.7
153.12808	3.3
156.51031	2.6
157.10143	3.8
159.11700	11.8
161.13278	9.0
163.11194	8.9
163.14792	3.6
165.12741	8.9
167.10654	15.9
169.90750	2.9
170.71028	3.7
171.11722	4.0
173.13206	6.5
175.03983	4.5
175.11099	3.2
175.14835	7.8
179.03383	11.0
181.12247	4.7
187.14865	7.7
189.16391	5.7
201.16367	3.1
203.17923	4.0
213.16396	6.1
227.18091	4.7
269.22717	8.8
287.05460	4.5
287.23700	19.3
305.06436	9.6
305.24738	56.6
306.24725	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2474
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03946	5.9
53.13508	3.6
55.01870	4.7
55.05509	29.4
57.03427	2.9
57.07061	9.9
59.05021	3.2
63.42035	3.2
65.03938	2.9
67.05505	35.5
69.03433	8.8
69.07071	81.4
70.75103	4.2
70.75439	6.4
71.04984	10.8
73.68562	2.7
76.78383	2.9
79.05494	21.9
81.03432	6.9
81.06580	5.9
81.07059	99.2
81.90073	3.0
83.04978	12.0
83.08616	26.3
85.06538	12.0
90.10063	3.0
91.05472	18.0
93.07046	59.2
95.04971	29.5
95.08608	77.8
97.06525	16.1
97.10197	5.4
99.08089	6.6
103.05502	3.3
105.07034	32.6
106.31460	2.9
107.08594	56.8
109.02850	4.2
109.06531	13.8
109.10162	61.6
111.08086	19.5
111.11728	7.7
117.07060	4.0
119.08582	24.9
121.06546	6.8
121.10151	54.4
123.04442	11.8
123.08067	7.7
123.11710	36.0
125.09638	6.9
127.02964	5.5
127.03915	100.0
128.04309	3.6
130.05016	4.4
131.08575	6.9
133.10114	22.9
135.08095	6.1
135.11713	24.9
137.09645	9.3
137.13272	8.5
139.03920	9.6
139.11188	11.1
145.10120	12.3
147.04463	4.5
147.11696	22.1
149.09697	6.6
149.13280	24.3
151.03923	30.0
151.11205	21.3
153.12755	5.8
155.03352	4.2
157.10161	4.1
159.11714	11.9
161.13263	11.7
163.11237	8.4
165.12827	7.9
167.14333	6.6
171.11679	6.3
173.13332	8.8
175.03876	5.0
175.14893	10.0
176.14336	20.4
177.12613	6.4
177.16412	6.7
179.03404	32.3
181.12221	5.6
185.13332	3.5
187.14752	3.6
189.16422	4.6
191.14304	3.3
191.17981	7.6
193.15851	6.0
201.16435	8.2
205.15796	4.6
219.17522	5.7
237.18260	3.5
241.05177	3.8
242.07664	3.3
249.18546	5.3
259.09988	3.5
269.22641	5.6
287.05331	7.9
287.23615	19.7
290.05688	4.6
305.05890	26.0
305.24744	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2111
Annotation	Agallochin I
Peak:m/z	Relative Intensity
53.03942	2.1
55.05513	15.8
57.03428	1.4
57.07075	7.2
57.73255	1.5
59.04965	1.6
65.03951	2.0
67.05506	20.5
69.03406	2.1
69.07065	29.4
71.04976	3.9
71.50503	2.0
71.50867	1.3
79.05497	19.8
81.03431	1.7
81.07055	55.4
83.04978	10.5
83.08621	9.6
84.76298	1.1
85.06519	6.0
91.05479	14.4
93.06471	2.5
93.07037	42.0
95.04974	11.1
95.08604	46.2
97.06509	6.8
97.10146	3.2
99.08102	2.4
101.06015	1.9
105.07033	29.0
107.04935	1.6
107.08593	37.6
109.02878	2.6
109.06497	9.4
109.09445	2.4
109.10144	20.5
110.65064	1.1
111.08086	6.6
111.11718	2.8
113.06005	5.8
117.06998	6.0
119.08580	28.0
121.06479	2.7
121.10131	40.2
123.04416	6.1
123.08038	6.8
123.11706	51.0
125.09627	4.6
127.03912	40.1
129.07010	2.5
130.07834	1.7
131.08572	13.1
133.10127	73.6
134.10448	1.7
135.08015	2.8
135.11710	12.0
137.09633	4.4
137.13220	5.2
139.03902	3.9
139.11172	6.5
143.07063	6.7
143.08554	5.6
144.09311	1.9
145.10120	32.4
147.04460	2.2
147.11688	20.1
149.09613	3.7
149.13234	8.4
151.03903	15.8
151.11154	3.9
153.12714	1.7
156.09344	2.9
157.10144	14.1
158.10915	4.8
159.11679	36.1
161.13216	6.4
163.11162	2.0
163.14893	1.4
165.12802	2.7
167.10646	8.0
169.08578	2.1
170.10928	4.9
171.11684	9.2
172.12476	13.7
173.13257	20.8
175.03947	3.2
175.14810	5.0
177.12675	1.4
179.03349	12.2
185.11719	10.3
185.13268	10.9
187.14813	100.0
188.15425	6.0
189.16351	6.9
191.14278	1.7
193.12239	2.8
199.14804	6.5
201.16408	2.9
203.03429	2.6
205.15866	6.1
213.16405	5.3
215.14240	1.7
231.13847	2.7
241.19530	13.1
243.21078	2.3
245.15573	1.6
259.20596	2.2
269.04407	1.5
269.19055	4.5
287.05469	4.1
287.20078	26.4
287.23584	3.4
305.06442	7.7
305.21121	23.0
305.24722	13.1
306.21555	1.6
306.26569	1.4
320.93896	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2111
Annotation	Agallochin I
Peak:m/z	Relative Intensity
53.03944	2.3
55.01864	1.6
55.05514	11.7
57.07066	5.5
59.04987	1.9
66.42088	1.3
67.05500	18.9
69.03438	2.8
69.07069	23.7
69.55966	7.6
69.56387	4.4
71.04999	3.5
79.05495	18.7
81.03368	1.7
81.07055	50.1
83.04990	9.8
83.08625	6.7
85.06539	6.3
91.05470	13.2
93.07046	32.6
95.04977	9.8
95.08611	38.0
95.09226	2.2
97.06542	5.0
97.10187	2.7
98.21481	3.0
99.08102	1.8
101.05997	3.2
103.05508	1.7
105.07024	23.8
107.08595	29.0
109.02910	2.0
109.06537	9.2
109.10160	24.3
111.08104	7.7
113.06017	5.7
115.05454	1.7
117.07009	5.4
119.08579	25.7
119.09373	2.7
121.10149	37.6
121.11026	1.9
123.04460	3.7
123.08104	2.6
123.11710	46.6
125.09633	4.5
127.03915	46.6
128.04276	3.6
129.06996	2.3
131.08540	10.3
133.10132	75.3
135.11697	10.9
137.09625	5.3
137.13264	4.4
139.03926	5.4
139.11192	5.4
143.07048	6.3
143.08557	5.6
144.09296	2.9
145.10112	23.9
147.04393	2.5
147.11703	20.6
149.09634	4.4
149.13255	5.1
151.03902	12.8
151.11198	1.6
157.10118	15.4
158.10918	3.6
159.11694	31.5
161.13264	6.6
163.11176	2.5
165.12839	2.3
167.10674	7.4
170.10851	2.7
171.11661	9.3
172.12462	13.3
173.13278	19.7
175.03857	2.5
175.14862	3.9
177.12779	1.9
177.16406	2.5
179.03403	13.3
180.45021	1.5
185.11732	8.2
185.13300	11.1
187.14821	100.0
188.15511	5.3
189.16438	5.6
192.86984	1.5
199.14815	6.0
201.16391	2.4
203.03400	2.5
205.15875	6.9
213.16275	3.3
231.13896	1.8
241.19614	12.3
251.18280	1.7
259.20593	3.3
269.19077	2.2
269.22626	2.0
287.05508	4.9
287.16846	2.5
287.20099	23.7
287.23679	4.6
305.06360	9.8
305.21118	22.6
305.24777	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	305.211
Annotation	[8]-Shogaol
Peak:m/z	Relative Intensity
53.03938	2.3
55.01859	3.3
55.05266	1.4
55.05515	15.8
57.07064	1.2
62.67626	1.2
67.05508	16.1
69.03455	1.2
69.07073	9.5
69.50103	8.2
69.50524	1.9
71.04980	1.7
71.17498	1.1
77.61803	1.0
79.05495	24.6
80.95855	1.1
81.07053	18.5
83.08633	6.0
91.05485	16.8
93.07043	31.3
95.04977	6.8
95.08601	12.0
97.06544	1.4
97.10190	6.6
97.12812	1.1
99.04488	1.2
105.07027	12.9
107.04961	4.3
107.08598	18.8
109.06467	1.6
109.10165	3.9
110.36694	1.1
111.11666	1.1
117.07028	5.0
119.04950	1.6
119.08592	9.8
121.06490	3.2
121.10143	11.5
125.09669	3.7
127.03932	6.6
129.06989	2.1
131.08580	6.6
133.06506	4.7
133.10136	3.8
135.08061	2.9
135.11699	13.2
137.05980	2.0
143.08560	2.7
145.10146	5.1
147.08051	5.2
147.11740	1.9
149.09564	1.2
149.13310	6.2
151.03911	3.3
157.10156	2.1
161.09610	2.9
163.11105	1.6
163.14845	1.9
179.03453	2.3
210.14534	1.5
263.20139	1.6
273.18539	4.2
298.69772	1.4
305.05948	1.8
305.21158	100.0
305.24664	9.9
306.21561	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	305.1381
Annotation	oleocanthal
Peak:m/z	Relative Intensity
53.03942	0.8
55.01877	2.8
55.05504	1.0
57.03439	1.1
67.05489	2.5
68.99789	2.4
69.03405	0.7
69.07061	2.0
69.60699	3.9
76.43407	0.6
78.83390	0.6
79.05486	2.8
81.03432	0.9
81.07045	3.2
83.04979	2.5
83.08582	0.9
83.40040	0.6
91.05479	8.2
93.03383	0.8
93.07040	5.3
95.04955	4.7
95.08583	1.8
97.06539	2.0
98.97572	1.9
99.04436	1.8
100.37724	0.6
103.05467	2.0
105.06995	1.4
107.04957	11.5
109.02869	0.8
109.06519	2.0
109.10144	1.3
111.04434	6.0
111.08108	1.3
113.90193	0.7
115.05446	2.6
116.98599	1.2
117.06992	5.4
119.08562	1.7
121.06499	34.3
121.10133	1.3
123.04426	100.0
123.11720	1.1
124.04749	0.7
125.05994	0.8
127.03914	10.2
131.04932	2.4
133.10106	0.8
134.07249	1.5
134.99690	1.0
137.05959	1.9
138.06737	2.2
139.03905	1.4
139.07532	9.4
145.06496	2.2
145.10176	0.7
146.07245	8.9
147.04419	2.0
147.08043	6.1
147.11638	0.6
148.05208	0.8
149.05975	16.2
149.09579	4.0
151.03964	3.7
151.07541	26.7
153.01814	2.1
159.11636	0.8
160.08687	0.6
161.05956	1.2
162.06781	5.5
165.12543	0.6
167.07033	90.9
175.07503	2.3
177.09099	82.4
178.09453	1.5
179.03412	2.7
179.10645	1.5
181.08577	1.8
188.08380	1.3
189.09152	1.0
202.98689	0.8
203.10672	3.2
250.91910	0.6
259.09561	0.8
287.05692	1.4
287.12704	1.5
305.06372	2.0
305.10452	1.0
305.13766	5.2
305.24722	1.1
305.28018	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59747	1.9
56.05024	7.7
56.96559	3.8
57.03424	2.6
58.06593	3.6
60.04518	1.9
61.04040	2.3
62.90819	1.8
68.05017	4.6
69.95962	10.3
70.06592	20.0
71.01339	2.1
74.06075	2.9
76.05095	3.3
84.04498	6.3
84.08131	14.3
85.02900	2.5
85.06718	1.7
86.06062	22.3
88.03985	4.8
97.02879	2.6
102.05536	3.8
103.02473	1.9
103.03910	5.1
106.93225	1.9
109.02822	1.8
114.05529	51.6
114.09169	2.4
116.98621	2.0
119.01905	8.2
129.10208	6.4
130.04991	5.3
130.08670	2.6
131.01923	6.7
133.03471	3.7
134.99677	2.1
137.02959	2.6
140.07092	3.5
142.04987	1.8
142.08636	20.4
144.60112	1.8
145.03448	7.1
146.08095	7.1
158.08131	8.4
159.17874	2.1
160.09688	3.1
161.02951	2.8
169.09698	4.2
172.00713	2.0
173.03026	2.6
173.85364	1.9
174.98553	2.6
177.01012	3.1
177.09879	3.6
178.01060	4.4
179.00708	3.3
185.09273	4.3
186.07623	73.1
186.09326	5.9
197.09200	5.3
203.50861	2.2
204.08734	8.1
204.50607	2.2
214.96548	12.8
215.10327	2.3
215.96611	30.9
216.96259	15.8
219.01962	8.4
220.02124	32.4
220.54179	1.9
221.01808	16.9
227.00081	2.6
236.99242	2.6
240.96213	2.7
241.11720	5.4
245.05106	2.2
250.48994	2.2
253.99255	2.9
254.49481	2.5
256.97470	17.9
257.97681	100.0
258.97366	56.2
259.00113	4.3
263.97327	2.4
267.03317	3.6
271.99567	2.5
274.48944	2.3
279.99460	2.4
281.98550	6.7
283.46765	2.1
287.12234	28.3
298.98621	7.9
299.98746	86.1
300.98462	39.9
301.01797	4.2
305.13480	9.6
305.18018	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0654
Annotation	Pentahydroxyflavanone
Peak:m/z	Relative Intensity
54.69823	0.4
55.01860	0.6
55.05486	0.5
59.79128	0.5
61.10697	0.5
65.03905	0.7
65.54478	0.4
67.01866	0.6
67.05492	1.3
68.99783	2.8
69.07062	0.7
71.57883	0.7
78.88945	0.4
79.05471	1.0
81.03413	3.4
81.07046	1.9
82.06559	0.6
82.24824	0.4
83.04964	1.1
85.02870	0.6
85.06513	0.4
91.05434	0.9
93.07051	0.7
95.04951	1.5
95.08575	0.9
99.04409	1.3
102.57021	0.4
105.03381	1.3
105.07024	0.7
107.04891	0.5
108.08116	0.5
109.02869	4.3
109.10159	0.6
111.00781	1.5
115.05435	0.5
119.04904	1.0
119.88273	0.4
120.08099	1.0
121.02879	1.0
123.04423	12.2
125.79350	0.4
127.03908	100.0
128.04201	0.5
131.04944	0.6
133.02843	2.3
133.06505	0.5
136.07593	0.8
137.02333	0.5
137.05969	0.7
139.03889	9.5
146.06017	0.8
147.04405	3.4
149.02322	2.3
151.03894	29.5
152.04358	0.6
153.01804	4.7
155.03363	2.8
157.06464	0.8
157.10110	0.5
158.06018	1.1
161.05963	0.4
165.05521	0.5
167.03426	0.7
169.14293	0.5
171.04497	0.4
175.03905	4.8
177.05377	1.0
179.03383	31.6
185.05957	1.2
185.09692	0.4
189.05487	0.7
193.04944	1.3
195.02896	0.9
199.03729	0.6
202.07883	0.4
203.03395	4.1
213.05373	2.0
213.10168	0.5
217.04996	1.4
221.04642	0.5
226.11107	0.6
229.04994	0.6
231.06529	2.2
233.17319	0.6
241.05019	1.3
241.09726	0.8
241.13403	1.5
245.04530	1.3
245.64885	0.4
251.18456	0.7
253.46739	0.5
254.10312	0.5
256.39206	0.4
259.05957	4.1
259.14435	2.6
269.04425	0.5
269.12878	4.1
269.19406	2.0
275.05411	0.6
277.07132	1.6
287.05496	9.6
287.08423	0.6
287.13788	4.2
287.20480	1.2
305.06454	25.8
305.14520	2.0
305.21585	1.3
306.06848	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0655
Annotation	Pentahydroxyflavanone
Peak:m/z	Relative Intensity
51.02361	0.9
53.00290	0.6
56.96548	0.8
65.03919	1.1
67.01855	0.9
67.05499	1.5
68.99770	3.8
69.03448	0.8
69.07049	1.0
71.12761	0.8
71.13082	1.2
72.10947	0.6
77.03916	1.1
79.01836	2.3
79.05486	3.5
81.03407	5.2
82.06571	0.7
83.99429	0.6
86.09680	1.2
91.05472	1.1
93.07054	3.4
95.04961	3.8
97.02881	1.5
97.06514	1.6
98.97568	1.1
99.04416	1.0
105.03381	2.7
107.04951	36.5
109.02876	8.2
110.33555	0.6
111.00786	2.9
111.04457	1.2
111.08096	0.7
117.07030	0.7
121.02872	2.2
121.06546	3.2
123.04427	18.6
125.02380	1.6
127.03912	100.0
128.04227	1.5
131.04944	0.9
133.02831	4.4
133.06448	0.7
134.99626	0.9
135.04434	1.1
137.05965	1.2
139.02817	1.0
139.03896	19.1
143.03366	3.6
147.04399	6.6
149.02333	7.1
149.06009	1.0
150.02975	0.8
151.03900	44.2
153.01822	35.6
153.02808	1.5
154.02098	1.0
155.02254	0.9
155.03403	6.7
157.06557	1.0
158.05875	0.6
162.05505	0.8
163.05843	0.8
164.05933	0.9
165.05515	1.3
165.55907	0.7
167.03415	1.8
173.05939	1.1
175.03894	7.3
177.05423	1.0
179.03392	34.5
181.08578	1.0
185.05998	1.8
186.07767	1.0
189.05496	0.9
193.05003	1.7
195.02896	0.8
201.05496	1.3
201.09108	1.6
203.03397	5.6
213.05440	3.7
217.04962	1.6
219.06444	1.1
229.05089	1.1
231.06554	5.1
241.05028	3.5
245.04521	1.1
259.06015	7.7
260.06052	0.7
269.04428	0.8
275.05588	2.7
277.06958	3.8
287.05515	13.6
287.08447	1.0
301.50510	0.7
305.06485	23.0
305.14703	1.0
306.06894	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0654
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
53.03954	1.0
55.01855	2.3
63.76239	0.9
65.03609	1.1
65.03938	3.7
67.01855	2.1
67.05492	2.7
67.54478	1.0
68.99766	4.9
69.83152	5.9
74.76095	1.1
75.15440	1.1
81.03429	1.3
95.04965	5.4
97.02838	1.6
101.21439	1.0
105.03381	2.9
105.07047	1.1
109.02882	1.1
111.04458	5.6
121.02872	13.8
123.04423	65.6
127.03918	11.2
129.06996	2.1
133.02856	4.5
135.04395	2.6
136.07573	3.1
137.02342	2.5
139.03900	7.0
141.06956	1.2
143.19965	1.0
147.04385	2.5
149.02336	75.7
150.03064	2.1
151.03874	8.7
153.01823	100.0
154.02310	1.3
157.06499	5.2
161.02295	5.8
164.07085	2.4
167.03412	12.8
167.04767	2.0
171.04243	1.1
175.03888	1.5
175.07556	2.7
175.25354	0.9
179.03421	6.2
185.05959	8.8
195.02890	18.3
203.03435	1.5
203.54427	1.1
213.05476	12.5
217.04930	1.1
231.06519	53.1
232.06729	1.4
241.04839	8.3
258.05237	1.9
259.06018	60.0
269.04446	1.1
287.05475	14.4
305.06177	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	305.0654
Annotation	Pentahydroxyflavanone
Peak:m/z	Relative Intensity
53.03934	0.7
55.01870	1.5
55.05500	0.7
55.95518	0.5
56.96553	1.1
57.03419	0.7
65.03950	0.8
67.01857	0.8
67.05492	1.9
68.99790	2.6
69.03410	2.9
69.07046	1.2
70.74526	1.6
70.74852	0.6
71.04993	0.7
74.06079	0.8
79.05501	1.0
81.03428	5.2
81.07065	1.8
83.04952	1.1
83.08620	0.7
85.02895	2.6
87.00834	0.9
91.05473	1.1
94.06610	0.9
95.04959	1.8
95.08605	1.2
97.02904	0.9
98.97566	1.3
99.04472	0.9
100.98907	0.6
102.00224	0.6
105.03380	0.9
105.06988	1.4
107.04980	1.0
107.08571	1.1
109.02867	5.7
109.06520	0.8
110.25240	0.6
111.00780	1.4
111.08083	0.8
116.98530	1.6
119.04932	0.8
119.08624	1.1
120.08070	0.9
122.06010	1.2
123.04420	11.8
124.07618	0.8
127.03914	100.0
128.04245	1.0
130.06532	1.3
131.04918	0.8
133.02844	2.6
133.10147	0.7
137.05981	2.6
139.03896	14.0
143.00102	1.0
143.12570	1.0
147.04378	4.3
147.11618	0.8
151.03902	28.1
153.01819	1.8
155.03392	2.0
157.06467	0.9
158.05959	0.7
158.99504	0.8
161.01218	1.6
164.06999	0.7
165.05563	0.8
175.03905	5.2
177.00752	0.9
179.03392	32.3
185.01218	0.8
185.06000	1.3
189.05551	1.0
192.96843	0.6
193.05008	1.5
199.03867	1.5
203.03534	4.4
213.05507	2.6
217.05017	1.2
231.06596	2.4
241.04982	2.6
241.13321	0.6
259.06046	2.8
259.14334	1.0
269.12924	0.9
269.19485	1.0
277.07071	0.8
281.27536	0.6
287.05539	7.5
287.08658	1.2
287.13974	2.2
287.17035	0.8
287.20438	1.3
305.06555	21.0
305.14920	1.7
305.18271	1.4
305.21655	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0654
Annotation	Pentahydroxyflavanone
Peak:m/z	Relative Intensity
52.39601	1.2
54.01711	1.3
67.05499	2.2
68.99799	5.6
71.32830	2.3
76.81966	1.2
79.01842	3.4
79.05521	1.0
81.03407	4.1
95.04971	3.5
97.02850	1.7
105.03379	2.8
109.02866	8.1
111.00803	3.5
121.02819	3.2
123.04427	23.8
125.02311	3.5
127.03911	100.0
129.18947	1.3
133.02858	4.7
135.04414	1.1
137.02345	4.5
139.03908	17.5
143.03387	4.2
147.04433	4.7
149.02338	23.9
151.03903	40.5
153.01823	49.7
153.02924	2.2
155.03386	8.3
157.06433	2.7
167.03400	3.2
171.02899	2.2
171.04430	1.9
175.03931	8.1
177.05492	1.6
179.03404	35.5
185.05978	4.3
189.05634	1.4
203.03395	8.4
203.07178	1.1
213.05432	8.4
215.02316	1.0
217.04916	2.3
231.06511	23.7
241.04964	7.0
245.04378	1.3
255.82230	1.1
259.06012	36.4
269.04382	1.5
275.05518	1.6
277.07138	2.2
287.05499	23.1
305.06512	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	304.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.4
55.01864	2.6
55.63155	1.7
57.03424	6.0
58.02938	1.8
60.04527	9.7
61.02922	5.1
67.05493	3.6
68.99739	3.4
69.03429	21.6
69.07064	55.8
71.04997	2.2
71.08630	21.3
71.31086	3.7
73.02914	4.9
81.03434	11.4
83.08602	2.5
84.04503	3.9
85.02905	88.8
86.02425	9.4
86.06075	3.0
86.09747	2.2
93.56881	2.0
95.04921	2.5
96.08129	6.0
97.02287	3.9
97.02891	57.8
97.06509	8.3
99.04468	4.2
103.03922	7.2
109.02860	16.5
110.92972	2.1
111.04443	3.6
114.09170	18.5
122.06083	2.2
123.04432	31.4
124.07549	2.6
127.03914	66.6
130.06488	4.5
137.02338	5.0
138.02763	2.3
138.09125	5.8
139.03925	6.7
142.08633	100.0
145.04964	7.5
146.05946	3.5
147.04388	2.9
149.02299	13.5
150.02690	1.9
150.05511	3.0
151.03899	19.7
153.01834	20.2
155.03357	2.1
156.10144	2.6
158.05975	2.7
167.03296	4.4
167.06987	2.5
168.07372	2.9
171.02979	3.0
179.03401	19.4
180.10152	3.5
184.09698	85.1
195.02959	2.6
208.09673	19.3
213.05426	3.2
220.09705	3.2
223.07515	5.6
229.04826	2.2
231.06476	12.3
238.10806	2.0
241.04971	2.4
250.10712	11.9
259.06033	12.0
286.12622	6.5
287.05435	6.4
304.05365	33.4
304.13870	6.3
305.06509	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	305.0653
Annotation	Pentahydroxyflavanone
Peak:m/z	Relative Intensity
55.01853	1.7
55.05495	2.2
56.96555	2.3
65.03931	1.3
67.01857	3.4
67.05503	2.7
68.99789	8.6
69.03414	3.1
69.07043	2.3
69.24323	6.1
69.24754	5.1
71.04977	2.0
77.03929	2.3
79.01850	2.0
79.05479	2.6
81.03429	4.4
81.07053	5.1
91.05484	2.1
93.07035	2.6
95.04984	4.5
95.08591	2.1
97.02872	3.0
98.97577	4.7
105.03402	5.1
105.07011	2.4
107.04944	2.3
107.08585	2.3
109.02879	7.3
109.10149	2.0
111.00810	14.0
111.04451	1.6
114.05524	1.0
116.01690	0.9
116.98621	4.8
119.04915	1.6
119.08622	1.7
121.10136	1.8
123.04443	12.3
125.02338	1.2
127.03920	52.7
131.00174	1.6
131.04938	1.2
133.02852	49.8
133.10130	1.5
134.29562	0.9
134.99654	4.3
135.04430	2.5
135.11639	1.1
137.02321	2.8
137.05980	1.8
139.02930	1.8
139.03906	19.2
143.03392	1.9
145.10088	1.6
147.04420	3.8
149.01233	2.4
149.02362	1.6
149.13383	0.9
151.03908	35.0
151.05133	2.0
153.01828	100.0
154.02145	1.5
155.03426	3.3
157.06532	1.3
157.10158	1.6
158.99649	1.4
159.08243	1.2
160.97639	1.3
161.02335	12.9
163.03902	1.0
164.04286	1.6
165.05580	1.1
171.02914	13.6
171.04279	1.8
173.01166	1.1
175.03889	5.1
177.00691	1.5
177.05426	5.1
179.03401	92.8
180.03795	1.4
191.02304	2.0
202.98682	1.6
203.03387	12.3
213.05487	1.9
217.04953	2.8
241.05081	1.5
245.04379	1.6
259.06015	2.7
259.09677	3.6
263.05453	1.5
269.04510	2.1
287.05493	19.3
287.08429	2.3
305.06488	51.8
305.24918	1.5
306.06924	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.5
57.03415	3.9
60.04513	9.9
69.03435	17.3
69.07060	51.4
69.66637	2.1
70.83004	7.0
71.08630	23.5
72.08136	2.4
77.71719	2.2
81.03401	9.7
82.06572	2.9
84.04502	6.8
85.02903	75.2
86.02422	7.1
87.82353	2.0
96.04477	2.6
96.08135	3.9
97.02887	49.1
97.06528	5.4
99.04488	3.3
103.03928	5.8
109.02866	12.9
111.73228	2.5
114.09151	19.6
122.06051	2.7
123.04454	8.5
126.07037	2.4
127.03919	66.9
130.06508	8.3
137.02339	2.8
138.09174	4.8
139.03883	4.3
142.08629	100.0
143.07127	2.8
145.04974	7.6
146.05971	2.9
147.04414	2.8
149.02333	4.3
151.03906	14.0
153.01797	2.7
156.10220	3.3
157.07695	3.1
158.06047	4.4
172.04192	2.4
179.03387	19.7
183.08141	3.2
184.09680	87.9
191.26761	3.0
203.03560	3.0
208.09683	20.7
213.05605	4.5
223.07471	12.8
231.06477	2.9
242.09302	5.0
250.10774	13.3
259.05893	5.4
286.12000	4.6
287.05518	6.1
304.05356	9.5
305.06561	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	304.1214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63380	1.0
52.00808	1.0
56.96564	50.7
57.07074	1.0
58.25190	1.0
62.71395	1.3
66.07425	0.9
67.05495	4.4
69.07075	1.8
70.06601	1.8
71.59323	1.0
71.95245	4.1
72.96052	1.0
74.97603	1.5
79.05468	2.4
81.07038	3.2
85.61902	0.9
88.07632	1.5
91.05483	2.1
92.98608	1.3
93.06996	1.5
95.08608	1.7
98.06026	2.6
105.00150	1.4
107.08588	1.7
111.00800	1.2
121.10103	1.3
123.01188	2.7
123.04439	2.2
127.03922	17.1
128.98604	1.6
137.02690	2.2
139.03854	1.6
141.02226	3.5
146.99637	2.3
151.03870	5.4
151.07567	1.2
153.02197	3.8
155.03751	3.2
157.01724	5.2
159.03302	2.1
167.03798	1.9
169.01764	3.5
171.03304	16.3
173.04865	2.9
175.02776	2.2
177.04260	1.0
179.03462	5.1
181.05348	2.4
183.03264	2.2
185.04895	7.1
187.02777	3.6
189.04379	6.5
191.05936	1.2
197.04861	4.5
199.06442	7.2
201.04279	2.2
203.05937	11.9
207.06912	1.5
211.06413	2.1
215.05872	2.9
217.07452	8.8
221.08578	1.9
225.08044	5.8
227.09593	2.4
229.07483	1.4
233.08475	1.5
235.06354	1.7
235.10159	1.7
237.07925	1.8
237.11601	2.0
239.09561	1.4
243.08948	2.2
251.09599	6.2
253.11121	4.2
255.09067	1.1
263.09537	15.0
269.10590	3.8
281.10611	100.0
282.10913	2.8
287.05682	1.3
299.11667	89.2
300.12106	2.2
304.05374	11.5
304.12216	18.2
304.26144	11.2
305.06311	4.6
322.13315	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	303.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	1.0
53.03944	1.8
55.01873	1.4
55.05508	10.6
56.96546	1.1
57.03432	1.3
57.07074	1.9
65.03922	1.5
67.05502	12.7
67.47018	0.7
68.99772	4.2
69.03423	3.2
69.07062	11.2
69.37397	7.2
71.04987	2.7
77.03947	0.8
79.05480	10.4
79.90382	0.9
81.03400	2.1
81.07053	16.5
83.04973	5.1
83.08611	4.9
85.06534	2.5
91.05479	18.5
93.07036	27.2
95.04966	14.2
95.08604	18.6
97.06527	4.0
97.10173	1.6
99.08113	1.2
101.06005	1.2
103.05478	3.1
105.07027	29.0
107.04949	3.8
107.08591	34.2
109.02852	1.0
109.06513	5.8
109.10151	11.1
111.00815	1.3
111.04431	1.8
111.08061	3.8
115.05475	2.1
117.07008	3.8
119.04907	2.3
119.08574	29.6
121.02870	2.4
121.06518	5.6
121.10129	14.2
123.04424	9.8
123.08060	3.4
123.09101	1.2
123.11680	5.5
127.03893	1.0
128.06216	1.4
129.05453	1.0
129.06996	2.5
131.04939	3.0
131.08536	7.6
133.06467	2.7
133.10115	25.0
133.11076	1.5
134.10384	1.1
135.04440	2.9
135.08063	4.1
135.11688	21.5
137.02316	9.6
137.03270	1.2
137.05981	4.0
137.09622	2.7
137.13280	1.2
139.03951	1.7
139.07539	1.2
141.06999	1.9
142.07809	1.4
143.07010	5.2
143.08543	4.7
145.06461	2.0
145.10124	13.8
146.08351	1.7
147.04385	2.8
147.08038	5.1
147.09184	2.6
147.11668	19.0
149.02336	1.4
149.05949	3.1
149.09596	3.3
149.13268	3.1
151.03889	11.5
151.07555	4.2
151.11110	1.8
153.01833	11.3
153.05527	5.0
153.06871	4.7
155.04942	1.5
155.08534	3.5
156.09343	1.4
157.06488	1.4
157.10135	8.0
159.11708	6.8
160.12445	1.2
161.06001	3.3
161.09613	8.6
161.10768	1.5
161.13210	6.7
162.10445	1.7
163.03903	5.4
163.07571	2.2
163.11220	4.1
165.01839	3.6
165.05495	2.8
165.07008	7.2
165.09079	1.2
167.03374	1.8
167.07037	3.1
168.05745	2.6
169.06435	1.6
169.10083	1.9
170.10927	2.8
171.11667	7.4
173.06009	2.8
173.13223	4.7
175.07591	1.4
175.11209	3.0
175.14809	19.1
177.09096	1.1
177.12755	0.9
181.04980	1.4
181.06482	2.7
181.08597	1.3
183.02864	2.2
183.04390	1.5
183.08066	6.6
183.10178	1.3
183.11696	1.3
185.05969	2.2
185.09302	0.9
185.13232	17.4
186.14024	8.5
187.03928	1.4
187.14757	4.4
189.12711	7.2
193.04987	1.6
196.05215	1.9
197.06075	1.4
197.13271	1.5
199.14801	1.7
201.05501	6.9
201.12715	1.2
201.16374	1.4
203.14304	20.1
203.17572	0.8
204.15080	16.7
205.15840	1.0
207.04509	1.5
211.07541	6.9
211.14774	1.0
215.10750	1.8
215.17986	2.5
217.15889	1.1
218.05371	0.9
219.06407	1.2
225.09134	1.9
227.06956	1.3
228.04253	1.2
228.07944	1.5
229.04999	11.1
229.19484	2.0
230.05090	1.1
232.03706	2.5
239.07024	1.9
239.18030	1.5
243.10205	4.5
245.08231	1.2
247.13367	1.9
257.04419	5.1
257.08240	1.7
257.19089	3.4
261.14935	2.3
271.09637	6.7
272.10034	1.2
285.04022	1.7
285.07605	3.3
285.18781	3.7
285.22220	2.2
288.09909	2.3
303.04999	100.0
303.08301	7.1
303.12238	3.3
303.19809	28.3
303.23328	6.0
304.05368	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	303.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.3
55.01863	3.2
55.05515	19.2
57.07053	2.3
65.03931	3.1
67.05506	15.0
68.99776	3.2
69.03414	3.9
69.07063	14.0
69.44691	10.2
69.45113	8.0
79.05498	14.0
81.07059	18.9
83.04960	7.3
83.08613	9.0
85.95526	2.1
90.57442	1.9
91.05470	17.9
93.07042	31.9
95.04967	18.0
95.08591	15.7
97.06528	3.6
97.10155	1.8
101.06084	2.8
103.05476	2.4
104.18495	1.8
105.07030	31.3
107.04990	2.3
107.08586	41.6
109.02872	2.7
109.06514	7.6
109.10145	8.9
111.00819	3.6
111.04360	2.1
111.08092	4.1
113.14346	1.9
117.07030	4.8
119.08560	31.4
121.02858	2.7
121.06507	4.9
121.10124	17.5
123.04404	2.7
123.08022	2.8
123.11683	4.6
127.07542	4.3
131.08548	8.4
133.06444	3.2
133.10114	29.6
135.11687	29.0
137.02354	9.2
137.09595	3.3
142.07811	2.5
143.07031	6.0
143.08553	5.4
145.10146	15.2
147.08046	4.8
147.11679	28.5
149.05997	3.8
149.13245	4.3
151.03925	2.6
153.01845	12.6
153.05385	4.7
155.07085	4.0
155.08455	2.4
157.10132	6.1
159.11703	7.8
161.05922	3.3
161.09593	8.8
161.13268	6.3
163.03864	3.7
165.01862	4.3
165.07048	3.7
170.10936	2.5
171.11678	7.2
173.06021	3.0
173.13268	5.6
175.11256	3.3
175.14828	25.0
185.13177	13.2
185.18889	2.3
186.14070	8.3
187.03899	2.0
187.14804	3.5
189.12791	2.8
201.05457	7.2
203.14342	16.0
204.15067	11.8
211.07675	2.5
215.14116	2.5
229.04976	11.0
229.19550	5.1
247.05931	2.3
257.04532	4.7
257.19061	2.5
275.20319	2.8
285.18509	2.8
303.04999	100.0
303.19601	33.1
303.23135	4.8
304.05298	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	303.1954
Annotation	Carlactone
Peak:m/z	Relative Intensity
53.03941	4.5
55.01857	2.5
55.05264	2.0
55.05509	31.1
56.96550	3.2
57.07066	4.8
61.75286	1.5
65.03928	2.5
66.71793	1.4
67.05502	23.5
68.99793	3.1
69.03419	5.5
69.07066	15.7
69.70612	10.0
71.04984	1.5
79.05486	22.9
80.36689	1.3
81.03411	2.4
81.07056	29.8
83.04987	13.3
83.08619	21.2
85.02924	1.2
85.06527	2.6
91.05476	26.1
93.07039	52.4
95.04966	26.0
95.08605	32.3
97.06522	5.6
97.10159	3.1
98.20745	2.5
98.97580	6.3
99.04492	1.6
99.08079	2.9
100.06926	1.6
100.54711	1.8
101.06012	4.6
103.05488	4.9
105.07032	55.5
107.04956	4.0
107.08593	76.5
109.02903	1.9
109.06510	9.4
109.10149	18.2
111.00844	3.0
111.04460	1.5
111.08064	6.8
115.05434	1.9
116.98609	5.4
117.06326	1.4
117.06998	7.4
118.04135	1.8
119.08582	50.0
121.02867	2.2
121.06490	5.1
121.10137	26.5
122.03638	2.7
123.04432	52.4
123.05326	2.9
123.08043	5.7
123.11729	7.5
127.07574	3.9
128.06221	3.2
129.05499	3.9
129.07021	5.9
130.07825	1.4
131.08559	14.8
133.06494	22.6
133.09100	2.7
133.10121	53.7
134.99687	2.1
135.04433	2.3
135.08073	5.1
135.11687	49.9
137.02350	8.2
137.03294	1.3
137.05956	8.2
137.09637	5.7
137.13147	1.7
139.03918	1.8
139.07541	2.6
139.11191	1.5
141.09145	1.4
142.07759	3.6
143.07051	17.4
143.08539	14.3
145.06477	3.8
145.10103	24.6
146.10732	1.7
147.04422	1.9
147.08054	7.4
147.11685	51.7
149.01201	2.8
149.02338	3.1
149.05997	3.0
149.09615	3.7
149.13266	6.1
151.03894	2.5
151.11229	1.8
153.01851	11.2
153.05457	1.9
153.06969	1.4
155.07036	3.7
155.08624	3.6
156.09340	2.8
157.10121	13.2
158.10873	2.2
159.11691	13.9
160.12463	2.7
161.06009	8.1
161.09618	13.7
161.13275	9.8
162.10423	2.1
163.03856	3.2
163.11118	3.5
165.01833	2.9
165.07018	1.8
165.09158	2.4
167.07048	29.4
167.08479	1.4
168.07367	3.8
169.08585	5.2
170.10954	5.0
171.11705	16.2
173.13243	9.4
175.11176	3.9
175.14813	43.6
177.00711	3.5
181.08463	4.2
183.02873	2.1
183.08107	2.2
183.10182	1.8
183.11700	2.4
185.13280	25.6
186.14012	15.8
187.14796	9.5
189.12733	7.2
191.02315	2.9
193.08615	3.9
197.13194	2.6
199.14766	2.7
201.05461	5.6
201.12721	1.6
201.16269	2.1
203.14316	30.9
204.15099	17.6
209.11740	2.0
211.07573	2.8
213.16219	3.2
215.17998	5.1
229.04977	10.0
229.19536	7.2
239.17989	3.6
243.10153	2.0
247.06026	2.1
257.04504	5.6
257.19000	3.1
261.14896	3.7
275.09103	1.4
275.16699	1.2
275.20135	4.0
285.04193	2.3
285.18555	6.5
303.04996	100.0
303.16037	3.2
303.19568	54.0
303.23126	5.5
304.05414	7.5
304.19965	1.7
309.23694	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
65.03923	1.5
68.99784	2.3
69.07051	1.4
70.71947	1.7
79.05487	1.8
81.03425	0.8
81.07034	1.1
82.06567	1.2
83.04958	0.8
84.04467	0.7
89.03907	1.2
89.47701	0.5
91.05466	0.8
92.04985	1.8
93.03384	0.5
94.06570	2.4
95.04945	1.5
96.08131	0.6
98.06036	0.8
105.06995	0.5
106.06547	1.9
107.04931	1.1
107.07350	1.0
109.06499	0.6
110.06045	7.2
111.00790	0.5
112.07597	1.2
116.04995	0.9
120.04465	12.7
121.02878	1.7
121.06512	0.5
121.10063	0.6
122.06009	3.4
123.04431	0.7
124.07600	4.7
134.06006	4.5
134.82518	0.5
135.04419	0.8
137.02333	5.0
137.05957	1.0
138.05473	0.5
140.07050	6.0
141.07883	5.2
142.08633	14.8
144.04430	1.0
147.04359	1.0
149.02327	2.4
150.05525	0.5
151.03888	0.7
153.01843	6.5
154.08607	1.8
154.12282	0.6
155.04922	0.9
159.04376	0.6
162.05504	100.0
163.03915	1.3
163.06084	1.6
164.07047	1.1
165.01813	1.5
173.05946	1.2
183.02864	0.8
183.04393	0.6
201.05501	2.3
216.10240	1.5
219.02982	0.9
229.04953	5.2
229.08551	0.8
243.11403	1.1
244.09673	1.0
247.05997	1.5
249.62253	0.6
257.04608	2.6
257.06833	0.5
258.11298	3.0
261.12360	6.7
268.09741	0.7
274.04715	0.7
275.05414	0.9
279.13428	2.8
279.25906	0.6
285.03915	1.0
285.12347	2.8
286.10651	2.8
295.70264	0.5
303.04999	44.0
303.13266	7.1
304.05438	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.6
53.03927	1.4
54.31556	0.5
55.01857	2.1
55.05508	2.6
57.07052	0.7
65.03934	1.5
67.05512	2.9
68.99789	5.0
69.03424	1.3
69.07062	2.3
70.22780	1.1
70.23168	1.1
71.04988	1.1
73.36703	0.5
79.05479	4.8
81.03401	2.0
81.07049	5.9
83.04932	0.8
83.08617	0.9
91.05475	5.0
93.03407	0.6
93.07049	6.8
95.04977	6.0
95.08611	3.0
97.02905	0.8
97.06560	0.6
99.04494	0.7
100.11247	2.2
103.05468	5.9
105.03325	0.6
105.07036	7.7
107.04943	3.7
107.08600	3.6
109.02885	1.5
109.06476	1.0
109.10168	2.5
111.00797	1.9
115.05439	3.5
117.07004	1.2
118.04143	0.9
119.04938	1.2
119.08574	3.1
119.49030	0.5
121.02873	2.0
121.06506	24.0
121.10102	2.9
121.70935	0.5
122.03645	1.1
122.21046	0.6
123.04429	24.2
123.05327	1.2
123.08109	1.0
123.11700	1.7
128.06184	0.7
129.06938	0.7
131.04912	3.2
131.08568	1.5
133.02905	1.0
133.06496	11.1
133.10129	2.5
135.04448	1.8
135.08058	2.2
135.11696	1.3
137.02350	8.4
137.05995	5.9
137.09631	0.7
139.03868	1.0
141.11510	0.7
143.04918	1.0
143.08533	0.8
145.06476	1.7
145.10120	1.8
147.04416	1.5
147.08040	0.5
147.11710	1.0
149.02403	0.8
149.05986	33.8
149.09602	0.9
150.06334	0.9
151.03873	1.6
151.07512	1.5
153.01823	13.6
153.05394	2.8
155.04866	1.6
155.08517	0.8
157.10173	0.7
159.04468	0.6
159.11652	1.0
161.05997	8.1
161.09554	0.9
161.13251	1.3
163.03917	11.8
163.07549	1.3
163.11163	1.2
164.04221	0.5
165.01846	3.4
165.05733	0.5
165.07019	2.1
165.09154	1.2
167.07040	11.0
168.05714	1.0
168.07401	0.5
169.10242	0.9
171.02914	0.9
171.11682	0.7
173.05995	2.0
173.09554	0.6
173.13306	1.2
175.07562	0.7
177.05515	0.9
178.06256	15.0
178.83005	0.6
179.03348	0.7
179.06772	0.5
181.06493	1.0
181.08507	2.8
182.07233	0.9
182.15436	0.7
183.02864	1.6
183.04359	1.0
183.08051	1.8
185.05981	0.7
187.03928	1.2
187.07538	1.1
187.14783	0.5
191.03328	0.6
193.08611	6.4
197.05965	0.7
199.07373	0.6
199.14833	0.8
201.05496	4.8
211.07532	2.8
213.05446	1.5
215.03459	0.5
215.10591	0.7
219.06497	1.1
225.09108	1.0
228.04146	0.8
229.04967	9.4
229.08466	0.7
230.05344	0.9
239.03490	0.7
239.07066	1.2
239.10616	0.6
243.10164	2.2
245.07896	0.5
247.05998	1.4
256.07291	0.8
257.04465	6.5
271.09583	2.5
274.04852	1.3
285.03885	2.0
285.07068	0.7
285.18442	0.7
285.22009	0.9
288.09927	0.9
303.04996	100.0
303.23209	4.4
304.05310	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	303.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91060	0.7
53.03940	2.3
55.01872	3.6
55.05504	1.6
59.04971	0.9
64.89995	0.6
65.03932	1.0
67.05495	2.9
68.99789	8.4
69.03428	1.1
69.07065	1.4
70.00278	1.0
70.00685	2.5
77.03901	0.6
78.04742	0.7
79.05493	9.0
81.03416	1.1
81.07050	9.0
83.05010	1.1
85.31765	0.6
91.05487	9.7
92.70547	0.6
93.07043	13.5
95.04972	9.5
95.08601	3.5
97.06526	0.8
101.28146	0.7
103.05472	12.9
105.07028	19.9
107.04958	8.7
107.08597	2.8
107.84656	0.6
109.02885	1.6
109.06531	1.6
109.10149	1.4
110.03619	0.6
111.00837	1.4
111.04433	1.0
114.98586	0.5
115.05463	5.3
115.71523	0.6
117.06944	0.9
118.42693	0.6
119.04945	2.8
119.08572	1.9
120.24587	0.6
121.02911	1.2
121.06507	66.7
121.10152	2.8
122.03672	0.8
123.04430	24.8
123.05332	1.4
123.08121	0.9
123.11716	1.0
124.05217	0.9
125.05975	1.0
129.07091	0.7
131.04956	2.3
131.08588	0.7
133.02826	0.9
133.06487	14.6
133.10133	2.7
134.03508	0.9
134.06895	0.7
135.04420	1.9
135.08031	1.0
135.11728	1.8
137.02318	5.2
137.05989	5.2
139.03883	0.9
140.04675	1.3
143.04918	1.7
143.07155	0.6
143.08502	0.7
145.06560	1.0
145.10141	1.6
147.04382	3.4
147.08022	0.9
147.11734	1.6
149.02313	1.7
149.05981	100.0
150.06377	1.8
151.03928	1.8
151.07530	2.2
151.11147	0.7
153.01830	8.3
153.05466	6.3
153.06903	1.4
155.04929	0.9
155.07016	0.7
155.08546	0.9
159.11690	1.5
161.05986	13.9
163.03900	33.5
163.07550	2.9
165.01788	3.1
165.05606	1.1
165.07004	2.9
165.09074	0.8
166.02600	0.7
167.07079	5.3
168.05707	1.1
173.05983	1.5
173.13239	1.1
175.07585	0.8
175.14923	1.1
178.06250	40.2
179.07007	1.4
181.06642	0.7
181.08601	5.3
183.02927	1.3
183.04448	1.0
183.06711	0.6
183.07939	3.3
185.05994	0.9
187.03923	1.4
193.06831	1.1
193.08603	17.2
193.19972	0.7
194.09320	1.4
196.05252	0.7
197.05768	0.8
199.07553	0.7
201.05478	2.8
205.90477	0.8
210.06720	1.0
211.07532	4.4
213.05453	2.5
229.04984	8.7
239.06967	1.9
241.04947	0.9
243.10228	4.0
247.06181	0.9
256.07346	0.6
257.04498	4.7
262.10867	0.8
271.06555	0.9
271.09567	5.5
285.03943	2.0
288.09756	1.7
303.04996	65.3
303.07864	2.5
303.12012	5.7
303.20038	0.8
303.23264	2.8
304.05252	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	303.1226
Annotation	3',4'-Dihydroxy-5,7-dimethoxyflavan
Peak:m/z	Relative Intensity
53.03957	1.6
55.01867	1.7
55.05501	1.2
62.34074	0.6
65.03923	0.9
67.05506	4.2
68.99788	2.9
69.07058	1.7
71.40045	0.6
71.81242	0.6
72.51561	0.6
73.22725	0.7
79.05493	6.8
81.03410	1.1
81.07059	4.6
82.02166	0.6
88.06550	0.6
90.15155	0.6
91.05464	5.2
93.07034	3.1
94.04171	0.8
95.04972	8.6
95.08593	2.8
97.06532	0.6
103.05457	2.8
105.04543	0.7
105.07016	4.7
107.04961	11.6
107.08583	2.3
109.02888	1.3
109.06522	2.1
109.10166	1.7
111.00816	1.0
111.08066	1.1
115.05448	0.8
117.14961	0.6
118.04150	3.6
119.04901	0.7
119.08592	2.1
121.02853	1.6
121.06494	2.6
121.10098	2.1
123.04424	100.0
123.11717	1.0
124.05262	9.0
125.05954	1.6
131.04774	0.7
133.06488	52.2
133.10123	1.0
134.06799	1.4
135.04407	1.6
135.08080	0.8
137.02338	5.7
137.05971	1.7
137.09682	0.6
138.09174	1.7
139.07529	14.8
145.06419	0.8
145.10104	1.2
147.04382	0.7
149.02312	0.7
149.06001	4.2
149.09555	0.8
151.03911	2.8
151.07552	1.2
152.04680	6.0
153.01828	7.2
153.05525	0.9
153.06950	0.6
155.04945	1.0
156.34650	0.6
159.11710	1.3
161.05974	15.7
163.03938	1.3
163.07555	1.0
165.01834	2.6
165.05679	0.7
165.06987	2.4
166.08720	1.1
167.07039	44.4
168.07368	1.3
171.11624	0.8
173.05974	1.4
173.13113	0.6
181.08568	1.1
183.02945	1.4
183.08076	1.9
193.08595	4.2
201.05516	3.4
202.33556	0.6
211.07462	1.1
228.07800	0.7
229.04976	6.1
230.45772	0.7
243.10127	0.8
247.06078	1.1
257.04446	2.8
271.09549	1.5
285.04016	1.6
285.22180	0.9
303.04987	59.7
303.23013	1.4
304.05161	3.4
304.56091	0.7
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	Unknow
Peak:m/z	Relative Intensity
53.03949	2.9
55.01874	3.3
55.05505	1.6
55.51102	0.6
60.87659	0.5
62.90633	0.6
65.03931	1.4
66.04705	0.6
66.92819	0.6
67.05497	4.2
67.70416	0.6
68.99788	8.0
69.03423	1.3
69.07053	1.8
69.52354	3.3
69.52764	1.6
77.03913	0.8
79.05495	6.5
81.03408	1.5
81.07053	10.5
83.04991	1.3
91.05486	9.8
93.03394	1.1
93.07040	14.5
94.04181	0.7
95.04970	10.1
95.08607	3.6
97.06522	0.7
98.21476	1.3
103.05460	15.5
105.03381	1.1
105.04637	0.6
105.07034	14.0
107.04971	5.0
107.08613	3.1
109.02851	1.2
109.06522	1.3
109.10165	2.6
111.00807	2.0
111.04447	2.4
111.08077	1.0
115.05480	2.3
117.06999	1.6
118.04175	3.5
119.04932	2.2
119.08559	3.1
120.08185	0.6
121.02884	3.1
121.06503	67.9
121.10132	2.6
122.06792	1.3
123.04430	24.5
123.08105	0.8
123.11731	1.9
124.05187	1.1
125.05991	0.9
127.03934	1.6
128.06248	0.7
129.06992	1.0
131.04895	3.1
133.06491	24.6
133.10121	2.2
134.03651	0.8
135.04413	2.5
135.08066	1.7
135.11743	1.3
137.02341	8.3
137.03345	0.9
137.05956	4.3
137.09608	0.7
138.03085	0.8
138.09093	1.7
139.03891	0.9
139.07520	1.4
143.08530	0.9
145.06480	2.1
145.10175	1.4
146.03616	1.0
147.04408	2.8
147.11653	1.1
149.02396	1.7
149.05978	100.0
150.06337	2.0
151.03906	1.2
151.07532	1.6
152.04706	1.7
153.01822	10.4
153.05461	4.0
153.06955	0.9
155.04926	1.5
155.07069	0.9
155.08530	1.6
157.10110	1.1
159.11702	1.9
161.05981	23.9
161.09579	0.9
161.13162	0.7
162.06654	1.4
163.03908	23.1
163.07556	2.2
163.11241	0.9
165.01857	4.4
165.06995	3.0
165.09122	2.9
165.12743	0.7
167.07033	9.2
168.05713	0.7
169.06432	0.9
171.11761	0.9
173.06017	2.8
175.11143	0.8
175.14781	0.7
177.05458	1.5
178.06244	48.9
179.03358	0.6
179.06837	1.8
181.06676	0.8
181.08614	3.1
182.07352	0.9
183.02869	1.7
183.08064	2.4
193.06844	1.2
193.08614	19.9
194.09297	1.3
196.05322	0.6
197.09596	0.6
199.14682	0.7
201.05505	5.0
210.06810	1.0
211.07544	4.6
213.05444	1.3
215.10593	1.2
225.09253	1.5
227.06941	1.1
228.04181	0.7
229.04977	10.8
229.08542	1.3
232.83899	0.7
239.07037	2.6
243.10066	3.0
247.06010	1.3
253.08603	1.2
256.07312	1.0
257.04401	5.0
271.09595	4.3
274.04739	1.5
285.03970	2.7
285.11682	0.7
285.22021	1.0
288.09750	2.0
303.04993	92.0
303.12009	6.0
303.20013	1.1
303.23157	3.5
304.05331	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	303.1226
Annotation	Isomucronulatol
Peak:m/z	Relative Intensity
53.03934	1.3
55.01863	2.3
55.05509	3.4
56.96556	0.7
57.07091	0.9
65.03932	1.6
67.05228	0.6
67.05508	8.3
68.99794	4.5
69.03402	0.8
69.07063	3.8
71.04988	1.3
71.59194	1.1
79.05496	9.8
81.03406	1.8
81.07066	8.4
83.04984	0.9
83.08610	0.8
88.35509	0.6
90.48866	0.6
91.05494	6.6
93.01250	0.6
93.07047	7.1
95.04971	12.4
95.08605	13.2
95.09165	1.1
97.02871	1.4
97.06510	1.4
103.05461	5.6
105.04501	0.8
105.07009	7.3
107.04962	14.0
107.08589	4.9
109.02877	1.7
109.06525	2.3
109.10141	3.4
111.00775	1.6
111.04423	1.0
111.08079	1.1
112.10281	0.7
115.05447	0.9
117.07015	2.0
118.04135	4.3
119.04952	0.9
119.08575	4.5
121.02876	2.1
121.06503	13.4
121.10113	3.9
123.04430	100.0
123.08027	1.3
123.11693	2.1
124.05275	8.3
125.05983	2.0
125.09617	0.7
128.06227	0.9
129.07002	1.3
131.04948	1.0
131.08565	2.5
133.02928	0.9
133.06496	48.2
133.10132	3.0
134.06856	1.0
135.04439	1.8
135.08037	1.5
135.11734	1.9
137.02319	6.7
137.05981	2.3
137.09575	1.4
139.07544	13.3
141.06975	0.8
143.04918	0.8
143.08592	1.2
145.06488	1.5
145.10117	3.4
147.04413	1.3
147.08046	1.3
147.11653	3.2
149.05978	18.6
149.09665	1.4
151.03929	2.2
151.07555	1.4
152.04684	5.7
153.01837	11.1
153.05464	1.8
153.07007	1.4
155.04909	1.5
156.09357	1.1
157.06459	0.7
157.10161	2.2
159.04305	0.6
159.08121	0.8
159.11708	2.2
161.05981	17.3
161.09607	0.9
161.13245	1.8
162.06596	0.6
163.03915	5.7
163.07527	1.4
165.01839	3.2
165.05699	0.7
165.07016	2.9
165.09123	1.4
165.12750	0.6
167.07051	46.7
168.05730	1.1
168.07365	1.1
171.11691	1.9
172.00545	0.6
173.06035	2.2
173.09645	1.1
173.13278	0.7
175.11197	0.8
175.14825	1.5
178.06242	5.8
181.06447	1.0
181.08571	1.5
183.02899	2.0
183.08032	2.3
185.06094	0.9
187.03870	1.4
187.14754	0.7
193.08600	7.6
197.09515	0.8
199.14754	1.5
201.05490	4.3
203.14259	0.7
211.07520	2.8
213.05397	1.0
217.15784	1.0
219.06555	1.4
225.09058	1.3
229.04987	8.6
239.06807	0.8
243.10226	3.0
247.05948	1.5
257.04437	4.5
257.18988	0.9
271.09647	2.7
275.08554	1.4
285.03983	2.3
285.18533	2.0
285.22217	2.0
303.04999	85.4
303.19534	2.4
303.23209	6.4
304.05341	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	303.0864
Annotation	(3R)-7,2',3'-Trihydroxy-4'-methoxyisoflavanone
Peak:m/z	Relative Intensity
53.03947	1.2
54.87524	0.3
55.01863	0.9
55.05514	2.2
56.61027	0.4
65.03934	1.4
66.22887	0.3
67.01876	0.6
67.05518	2.7
68.99792	3.3
69.03432	0.9
69.07067	2.2
71.05001	1.1
71.58303	0.7
77.03958	0.3
79.05499	3.0
81.03416	3.3
81.07059	4.5
83.04986	0.9
83.08637	0.7
85.06558	0.4
91.05476	2.9
93.03397	1.0
93.07055	3.5
95.04958	4.6
95.08601	3.7
96.35363	0.3
97.02901	1.7
103.05468	0.9
105.03407	1.3
105.07040	3.6
105.63068	0.3
107.04953	15.8
107.08585	2.9
107.66058	0.4
109.02883	10.2
109.06526	1.7
109.10151	2.6
110.03679	0.5
111.00142	0.5
111.00800	2.3
111.01472	0.3
111.04438	2.5
111.08104	0.6
113.82878	0.4
115.05447	0.5
117.03405	0.4
117.07019	1.1
119.04954	0.8
119.08579	3.0
121.02882	3.0
121.06518	3.0
121.10143	3.4
123.04421	2.7
123.08046	0.6
123.11710	1.5
125.05984	0.6
125.09649	0.5
126.03138	2.4
127.04002	0.7
129.07016	0.7
131.04935	1.0
131.08600	1.1
133.02863	2.0
133.06531	1.5
133.10110	1.4
135.04419	23.9
135.08041	1.2
135.11678	1.0
137.02341	15.3
137.03416	0.8
137.05995	1.7
137.09602	1.0
138.03134	1.3
139.03958	0.8
139.11182	0.7
141.05466	2.0
141.07062	0.4
141.76414	0.4
143.08705	0.4
145.06491	1.4
145.10135	1.7
147.04442	1.0
147.08051	0.4
147.11658	2.5
149.02342	1.3
149.04970	0.4
149.05960	2.5
149.09619	0.8
149.13271	0.5
150.03098	0.8
151.03870	0.7
151.07568	0.6
153.01825	13.1
153.05467	9.4
153.06766	0.7
155.04948	1.2
157.06496	0.4
157.10112	1.0
158.05949	0.6
159.04460	0.5
159.11739	1.3
161.05975	2.4
161.09576	0.7
161.13275	0.5
163.03908	20.9
163.07553	0.9
163.11209	1.1
165.01834	4.0
165.05473	2.3
165.06999	1.4
165.12796	0.7
166.02661	0.8
167.07086	0.8
168.05746	0.6
169.04997	9.9
169.06508	1.3
173.05956	2.3
173.13301	0.7
175.11119	0.5
175.14943	0.4
178.06274	1.5
179.03375	0.4
183.02892	1.8
183.04443	1.2
183.08072	0.6
183.11772	0.6
185.06020	0.5
185.19948	0.4
187.03908	1.3
187.07539	0.5
191.03413	0.5
191.14302	0.6
193.08662	0.8
195.02852	0.6
196.05313	0.6
197.06004	2.1
199.14816	0.9
199.94937	0.4
200.04628	0.4
201.05482	4.6
201.16528	0.5
205.04929	0.5
211.04028	0.6
211.07535	1.8
213.05461	0.9
214.06264	0.4
215.07082	1.2
217.15900	0.7
219.06522	3.7
221.05768	0.4
225.05472	1.5
228.04262	0.9
229.04973	10.7
229.08653	1.1
239.03479	0.7
239.07269	0.8
241.09789	0.8
243.06534	0.9
243.10210	0.7
245.08066	0.7
247.06068	1.2
257.04431	6.7
257.08093	1.2
267.21121	0.5
269.04462	3.6
270.05206	4.1
271.09616	1.2
274.04657	1.9
275.09143	3.9
285.03964	3.1
285.07608	6.2
285.22253	1.5
288.05316	0.8
288.09766	0.6
303.05017	100.0
303.08612	19.4
303.23163	4.9
304.05399	4.4
304.08716	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0857
Annotation	(3R)-7,2',3'-Trihydroxy-4'-methoxyisoflavanone
Peak:m/z	Relative Intensity
50.01600	0.5
53.03940	1.2
55.01858	1.4
55.05507	1.4
56.97658	0.6
61.77495	0.5
65.03924	1.9
67.05502	2.9
68.99783	3.3
69.03391	0.7
69.07056	1.3
70.75927	1.2
70.76305	1.2
71.04974	0.6
77.03919	1.2
79.05488	3.0
81.03429	5.5
81.07063	3.0
83.04990	0.7
91.05483	4.0
93.03414	1.0
93.07053	3.4
95.04969	6.9
95.08591	2.2
97.02888	1.6
97.06555	0.6
97.32493	0.7
98.97600	0.7
103.05474	1.2
105.03382	2.4
105.07013	3.5
107.04953	39.3
107.08582	2.9
109.02882	22.7
109.06478	1.1
109.10139	1.8
111.00790	2.0
111.04441	4.8
115.05471	1.1
117.06998	1.6
119.04946	1.5
119.08546	1.8
121.02856	2.9
121.06496	2.3
121.10139	1.6
123.04417	5.2
123.08072	0.6
123.11657	1.3
125.05970	0.6
125.09630	0.6
126.03113	5.4
127.03918	1.1
129.06938	0.9
131.04921	2.1
131.08507	1.6
133.02831	3.6
133.10109	0.8
134.03616	1.0
135.04413	55.9
135.11656	1.4
137.02336	24.2
137.03394	1.1
137.05974	2.6
137.09642	0.8
138.03107	2.7
139.03886	1.9
141.05464	4.1
141.06982	1.1
145.06482	2.0
145.10130	1.2
147.04391	2.0
147.11697	1.2
149.02335	1.9
149.05989	2.4
150.03122	2.1
151.03964	1.1
151.07474	1.4
153.01826	12.4
153.05470	19.2
153.06766	1.2
153.09204	0.7
155.04860	2.0
157.06412	0.7
157.10078	0.9
159.11693	1.3
161.05963	1.2
161.09648	0.6
161.13293	1.3
163.03902	47.9
164.04555	0.7
165.01846	4.8
165.05463	3.2
165.06970	2.6
167.03305	1.2
167.07068	1.0
168.05696	1.9
169.04985	19.5
169.06474	2.5
173.06018	3.2
181.06581	0.6
183.02849	1.9
183.04465	1.8
183.08047	2.3
185.06006	1.4
187.03880	1.5
187.07611	0.9
191.14253	0.7
193.04967	2.0
196.05217	1.4
197.05974	4.6
199.07405	0.9
201.05481	5.5
205.05052	0.9
211.07536	2.1
213.05403	0.9
214.06143	1.2
215.06929	3.2
219.06622	5.2
225.05420	3.3
225.08997	0.6
228.04150	0.8
229.04961	12.6
229.08496	3.0
239.07144	1.3
242.05711	1.2
243.06439	1.6
243.10150	2.2
247.06087	1.3
253.04942	2.4
257.04425	6.0
257.08316	0.9
260.05701	2.8
267.20923	0.7
269.04434	8.5
270.05234	8.9
271.05835	0.9
271.09613	3.4
274.04697	1.6
275.09131	9.8
285.04010	2.4
285.07559	13.5
285.22006	1.5
288.05270	3.3
303.04962	100.0
303.08548	45.7
303.12228	2.1
303.23056	4.7
304.05280	3.4
304.08511	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	4.5
56.96557	27.6
61.02938	7.9
63.51720	4.9
67.05502	11.3
69.03419	16.7
69.07062	5.6
70.06580	7.6
71.04989	8.6
71.57378	6.9
71.57749	7.8
72.08170	6.4
81.03414	7.8
81.32024	5.1
83.06050	4.7
84.08134	9.6
85.02911	33.5
86.09706	6.8
95.04970	17.3
95.06117	5.2
97.02906	19.4
98.97576	86.9
100.11258	12.1
109.02893	12.8
110.06067	5.5
110.07161	29.2
114.05625	5.5
116.98615	95.5
119.01896	6.3
119.04949	6.3
123.04420	14.0
124.07638	5.1
127.03919	6.2
128.98570	5.9
129.10313	5.8
134.05978	5.4
134.99654	66.0
137.02304	8.3
137.05971	10.8
141.03755	9.9
141.05437	15.9
141.06520	6.1
146.99651	12.2
153.00758	11.3
153.01848	31.8
158.01276	7.3
158.99678	42.3
161.04680	6.7
164.07040	6.9
165.01918	6.3
177.00703	100.0
185.03911	7.9
195.01648	10.4
200.02322	9.1
201.05878	6.3
203.05190	5.8
219.01828	20.8
226.79634	5.1
229.04927	10.6
237.02818	23.7
291.07510	6.2
303.05011	60.0
303.10553	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	303.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26318	5.3
55.01868	8.1
55.05505	5.6
56.96567	55.5
57.03437	26.8
59.06792	4.6
61.02929	36.0
69.03427	53.1
70.06577	8.4
70.52840	16.9
71.04984	20.5
73.02905	20.7
79.75418	5.1
81.03422	34.5
84.96027	6.3
85.02903	100.0
87.04458	14.0
94.05299	8.9
97.02902	27.9
98.06068	10.0
98.20739	6.4
98.97579	70.6
99.04459	15.4
100.05231	6.1
100.07626	8.9
101.00869	23.6
103.02460	8.2
109.02882	27.4
110.01260	6.1
110.97583	12.7
112.02908	7.2
112.99176	7.1
113.00851	9.7
115.02395	8.9
115.08674	5.8
116.98615	44.7
119.01906	98.3
121.01617	5.4
121.03474	6.5
123.05560	9.2
125.39919	6.0
127.03946	27.9
128.02368	25.5
128.98595	18.4
131.00215	11.8
131.01912	49.3
133.01663	5.0
133.03453	27.7
134.99664	13.5
137.02896	18.3
140.07076	7.8
141.05649	5.1
141.06538	27.8
143.00191	9.4
144.99770	6.6
145.03433	29.2
145.04962	7.9
146.60963	6.2
146.99643	12.8
147.01537	6.2
147.03090	7.4
147.05025	6.0
149.01183	7.5
149.02911	12.1
151.04445	4.9
152.07025	6.8
155.01881	10.1
157.03481	12.7
158.99644	9.8
159.05051	12.9
161.01244	15.3
161.02937	18.4
163.02721	15.0
163.04379	14.5
165.00806	6.0
170.99733	6.2
173.01492	5.0
173.02989	18.4
174.99158	16.1
175.04567	10.2
177.00758	12.1
177.02475	13.3
177.04095	7.2
177.06079	9.1
178.04942	20.7
180.79518	5.2
181.05261	8.7
183.02240	11.4
183.05092	12.0
185.02998	7.2
187.04686	7.6
188.97141	9.2
189.00706	13.5
189.02303	7.4
190.41595	5.3
191.02335	5.2
191.03973	16.6
192.02826	8.7
193.00220	21.5
199.00807	5.7
199.06482	7.2
200.04486	10.1
201.00679	7.0
201.06110	59.5
202.98595	6.7
204.02811	12.3
205.07356	6.4
206.04575	5.7
206.07164	14.4
206.98161	6.3
207.01830	11.9
211.01048	6.8
213.03352	18.8
213.05992	5.8
215.07616	8.4
219.01720	14.7
219.07121	21.9
221.05089	13.3
222.03865	16.2
222.07539	10.6
225.06140	8.0
231.07063	17.2
237.02766	16.3
243.07199	17.4
245.01427	9.2
263.00763	5.1
279.00183	6.0
284.47360	4.5
303.04990	14.4
303.09369	54.8
303.15567	13.2
303.18942	5.1
321.10455	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0497
Annotation	Quercetin
Peak:m/z	Relative Intensity
54.43339	0.3
62.82600	0.2
67.01865	1.5
67.05493	0.3
68.99784	1.4
69.03407	0.3
70.71359	0.3
70.71699	0.7
81.03408	0.6
89.46715	0.3
97.02890	0.3
105.03381	1.0
107.04935	0.5
111.00784	0.6
117.07001	0.3
121.02859	1.6
123.04420	1.4
127.03920	0.7
131.04909	0.3
132.22609	0.3
133.02850	0.9
133.10144	0.3
135.04361	0.7
137.02361	2.2
137.05957	0.5
139.05348	0.5
145.06458	0.5
147.04439	0.3
149.02338	0.4
151.03897	2.7
153.01823	9.9
153.05336	0.3
153.40639	0.3
155.04922	0.9
161.05916	0.3
163.03874	1.0
165.01901	0.6
167.03371	0.3
167.06973	0.4
169.01329	0.6
171.02911	0.8
171.04385	0.3
173.05978	1.0
177.01906	1.3
183.02950	0.4
183.04399	0.5
187.03841	0.3
193.81854	0.3
201.05447	0.9
203.03372	2.6
215.03299	0.3
219.06577	1.3
229.04976	3.4
229.13376	1.7
247.06041	0.5
257.04468	3.7
257.12839	5.8
261.04062	0.3
274.04819	0.4
285.03915	1.9
285.06531	0.3
285.12292	0.6
303.04977	100.0
304.05319	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	303.0497
Annotation	Quercetin
Peak:m/z	Relative Intensity
61.78667	0.4
63.96900	0.4
65.03959	0.8
67.05472	0.7
68.99789	2.5
70.98653	1.0
76.56839	0.4
79.05474	0.6
81.03393	0.5
92.29398	0.3
93.03426	0.6
95.04955	0.7
97.02885	0.7
109.02885	1.2
111.00800	2.2
115.05436	0.6
115.13056	0.4
117.07056	0.5
119.08611	0.4
121.02824	2.1
123.04449	1.0
128.76131	0.4
131.04936	0.8
132.80870	0.4
135.04364	0.5
137.02330	8.1
140.32658	0.4
145.06465	1.3
149.02275	0.4
151.03900	0.5
153.01823	11.8
155.04930	1.4
159.84555	0.4
161.05951	1.0
163.03868	1.3
165.01865	3.8
166.02599	0.7
172.58524	0.4
173.06020	1.8
179.03415	0.6
183.02936	1.9
183.04396	0.6
183.08035	0.6
184.91443	0.5
187.03851	1.1
195.02911	0.6
201.05461	4.8
213.05441	0.5
214.14679	0.4
217.04962	0.5
219.06537	2.1
228.04285	0.6
229.04964	9.9
230.05325	0.4
238.16678	0.4
239.03418	0.6
247.06117	1.3
257.04468	5.0
270.48856	0.4
274.04755	1.4
285.03995	2.3
285.07449	1.1
303.04990	100.0
304.05362	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0496
Annotation	Quercetin
Peak:m/z	Relative Intensity
52.34748	0.2
55.01865	0.6
65.03931	0.7
67.01844	0.6
67.05502	0.4
68.99782	3.0
70.87500	0.6
70.87880	0.5
78.49024	0.3
81.03398	1.1
84.33467	0.3
91.05457	0.3
93.03389	1.0
95.04948	0.6
95.52161	0.3
101.06710	0.2
105.03380	0.4
109.02876	1.1
111.00809	2.3
111.04459	0.3
117.06995	0.4
121.02872	2.0
123.04436	0.6
127.03902	0.8
131.04886	0.5
135.04413	0.5
137.02345	9.5
137.03378	0.5
145.06476	0.9
149.02347	0.8
153.01825	12.2
155.04924	1.5
155.06050	0.4
159.04420	0.3
160.28690	0.3
161.05983	0.9
163.03934	1.4
165.01828	3.7
166.02618	0.6
173.06004	2.1
179.03384	0.4
183.02882	1.6
183.04422	1.2
187.03903	1.0
191.03438	0.5
195.02887	0.6
201.05452	4.8
205.04918	0.7
211.03893	0.5
213.05557	0.3
219.02934	0.4
219.06598	0.6
228.04143	0.6
229.04961	10.9
239.03362	0.7
246.05478	0.3
247.06117	1.3
257.04443	6.0
274.04648	1.3
275.05319	0.6
285.03949	2.6
303.04984	100.0
304.05313	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	303.0496
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01881	0.7
65.03930	0.9
65.95882	0.3
67.01850	0.8
67.05498	0.6
68.99439	0.5
68.99788	4.8
69.03419	0.5
69.52551	1.8
71.01334	0.3
76.67222	0.3
81.03418	1.8
93.03399	1.2
95.04979	1.4
103.05460	0.3
105.03405	0.5
107.04919	0.4
109.02879	2.0
110.03644	0.3
111.00803	3.2
115.05447	0.4
117.07019	0.9
119.04959	0.4
121.02854	3.4
122.23947	0.3
123.04419	1.5
127.03899	1.0
128.06241	0.5
129.06989	0.3
131.04898	0.8
133.06470	0.5
135.04382	0.9
137.02351	11.5
137.03401	1.0
145.02805	0.4
145.06468	1.3
149.02325	0.8
153.01830	17.3
154.02205	0.4
155.04866	1.8
157.06439	0.3
159.04408	0.4
161.05986	1.0
163.03918	2.1
163.99467	0.3
165.01849	5.4
166.02623	0.9
171.99698	0.3
173.05969	2.7
177.01738	0.5
177.05518	0.4
179.03410	0.6
183.02884	2.7
183.04410	1.9
184.25456	0.3
185.06032	0.3
187.03879	2.0
191.03336	0.7
191.06908	0.3
195.02882	0.4
198.63222	0.3
201.05466	6.4
203.03314	0.3
205.04918	0.9
207.02936	0.5
211.03931	0.8
213.05330	0.3
215.03316	0.4
219.06485	0.8
225.39375	0.3
228.04205	1.5
229.04962	14.7
230.05342	0.3
232.03702	0.5
239.03372	0.9
246.05069	0.3
247.06017	1.9
257.04446	7.1
258.04880	0.4
274.04773	2.0
275.05423	0.7
285.03986	3.3
299.02768	0.3
303.04984	100.0
304.05356	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70679	0.2
55.01871	0.5
59.75849	0.2
65.03934	0.6
67.01855	0.4
67.05493	0.4
68.99778	2.3
69.03412	0.2
70.91983	0.5
81.03417	1.0
93.03394	0.7
95.04980	0.9
105.03373	0.2
109.02867	0.9
111.00807	2.3
115.05440	0.4
117.06964	0.4
121.02875	2.3
123.04426	0.7
127.03897	0.8
128.06203	0.2
130.33603	0.2
131.04900	0.4
133.02843	0.3
135.04382	0.6
137.02347	9.2
137.03407	0.7
145.02800	0.4
145.06482	1.0
149.02307	1.2
153.01826	10.7
155.04945	1.0
155.06041	0.2
161.05972	0.8
163.03879	1.6
165.01833	5.5
166.02592	0.8
167.04958	0.2
173.05992	1.8
177.01846	0.4
179.03427	0.4
183.02872	1.8
183.04446	1.2
184.05006	0.2
187.03871	1.2
191.03369	0.5
195.02876	0.7
201.05466	4.9
205.04965	0.5
207.02911	0.3
211.03882	0.4
213.05548	0.4
215.03333	0.3
219.03052	0.2
219.06497	0.5
228.04153	0.6
228.88686	0.2
229.04951	10.4
230.05293	0.5
239.03416	0.6
245.04704	0.2
247.05965	1.8
257.04440	6.0
258.04828	0.3
274.04703	1.8
275.05481	0.4
285.03952	2.6
303.04984	100.0
304.05341	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Quercetin
Peak:m/z	Relative Intensity
52.86885	0.3
55.01870	0.5
60.35023	0.3
65.03942	0.5
67.01881	0.4
68.99789	3.1
70.03276	1.1
70.03689	0.7
79.01852	0.5
81.03423	1.1
82.33311	0.3
87.91405	0.3
88.32600	0.3
91.05479	0.6
93.03406	0.7
95.04942	1.0
107.04901	0.5
107.81146	0.3
109.02858	1.2
111.00058	0.3
111.00807	1.3
111.04406	0.5
115.05485	0.3
117.07027	0.6
121.02891	2.1
121.06561	0.5
123.04425	0.7
127.03889	0.6
131.04930	0.8
133.02766	0.5
135.04413	0.9
137.02339	6.8
140.92505	0.3
143.03430	0.4
145.06461	0.9
147.04434	0.4
149.02354	1.1
149.06053	0.3
153.01830	12.4
153.02843	0.5
155.04909	1.2
163.03917	1.9
165.01837	3.2
166.02596	0.7
167.06981	0.6
173.06044	1.6
179.03383	0.5
183.02890	1.3
183.04387	1.2
187.03935	1.5
191.03450	0.4
201.05476	4.3
205.04958	0.5
208.25543	0.4
215.03459	0.4
217.04938	0.3
219.06525	0.6
228.04175	0.7
229.04959	9.4
239.03574	0.4
243.02882	0.3
247.05994	1.4
257.04468	5.1
258.05203	0.5
270.05490	0.4
274.04657	1.1
285.03882	1.9
303.04987	100.0
303.14139	2.5
304.05356	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	303.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
55.01866	0.4
55.44231	0.2
57.13285	0.2
65.03944	1.0
67.01855	0.5
67.05488	0.8
68.99783	3.4
69.03403	0.5
69.07052	0.4
70.35387	1.0
71.04973	0.3
79.05476	0.7
79.42358	0.2
81.03428	1.3
81.07027	0.8
82.06559	0.4
84.04527	0.4
91.05471	1.0
91.66298	0.2
92.56263	0.2
93.03391	0.8
93.07037	0.5
94.06524	0.7
95.04968	1.9
95.08599	0.3
96.08096	0.2
97.02847	0.5
98.17373	0.2
103.05413	0.3
104.90038	0.2
105.03384	0.6
105.07002	0.4
106.06558	0.2
107.04931	0.6
109.02897	1.3
110.06036	0.5
111.00811	2.0
111.04438	0.3
115.05468	0.2
115.69412	0.2
117.06995	0.7
119.08587	0.3
120.04434	0.4
121.02866	2.9
122.06006	0.7
123.04416	1.8
124.05180	0.3
124.07580	0.6
126.09144	0.6
127.03909	0.6
131.04945	0.4
132.78513	0.2
133.02827	0.5
133.10098	0.4
135.04413	0.9
137.02338	12.3
137.03354	0.6
137.05988	2.3
139.03928	0.2
139.07581	0.4
140.07036	0.4
141.07880	0.3
142.08636	0.6
145.06490	1.5
147.04356	0.5
148.02577	0.2
149.02339	2.2
150.05521	3.0
151.03909	0.5
152.07066	1.2
153.01826	12.2
154.02148	0.3
155.04909	1.7
157.06461	0.3
159.04384	0.2
161.02336	0.3
161.05956	1.0
162.05502	4.2
163.03923	1.7
165.01839	4.2
166.02596	0.8
166.05020	0.3
167.07072	0.6
168.05659	0.4
169.06421	0.2
173.05971	2.0
177.01871	0.3
177.05450	0.3
178.05011	0.7
179.03384	1.0
183.02872	1.9
183.04425	1.3
183.08121	0.2
186.12923	0.2
187.03917	1.3
191.03374	0.6
195.02910	0.6
196.05209	0.3
197.05940	0.6
200.04596	0.4
200.09413	0.2
201.05461	5.3
205.05003	0.8
211.03926	0.3
212.13654	0.3
213.05421	0.3
219.02892	1.0
219.06583	0.7
222.98170	0.2
225.05458	0.8
227.11862	0.3
228.04240	0.7
229.04961	11.3
229.08330	1.6
229.13472	0.4
230.05304	0.4
239.03488	0.5
239.11865	0.3
243.10323	0.2
247.06039	2.0
255.11256	0.7
257.01788	0.4
257.04462	6.2
257.08069	1.0
257.12665	0.3
258.04852	0.3
267.11243	0.5
274.04742	1.4
275.05457	1.1
275.08862	0.3
283.51535	0.3
285.03973	2.7
285.07297	0.3
285.12338	2.5
303.04980	100.0
304.05362	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	303.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32093	0.2
53.03942	0.3
55.01866	0.7
65.03925	0.9
67.01857	0.7
67.05496	0.6
68.99444	0.3
68.99790	4.2
69.03432	0.3
70.74827	0.6
81.03410	1.0
88.81599	0.2
91.05415	0.3
93.03398	0.7
95.04961	1.5
96.13413	0.2
97.02886	0.3
98.20819	0.2
103.05447	0.3
105.03442	0.3
107.04911	0.5
109.02869	2.0
109.11269	0.2
111.00809	2.6
111.04377	0.2
115.05444	0.3
117.07027	0.7
121.02869	3.2
123.04432	1.0
126.03161	0.2
127.03905	0.8
127.05445	0.2
129.06999	0.4
129.41673	0.2
130.70479	0.2
131.04939	0.9
133.02814	0.2
135.04442	0.8
137.02344	10.8
137.03392	0.7
143.04935	0.3
144.22559	0.2
145.06487	1.8
147.04349	0.3
149.02345	1.0
153.01828	15.9
154.02145	0.4
155.04933	2.1
155.06075	0.4
159.04410	0.6
161.05991	1.0
163.03934	1.9
165.01840	5.5
166.02626	0.8
173.06001	2.6
177.01799	0.4
177.05460	0.3
179.03409	0.5
183.02856	1.5
183.04414	1.7
187.03883	1.4
191.03448	0.4
195.02838	0.6
200.04651	0.4
201.05469	6.2
202.05840	0.4
203.03355	0.2
205.04987	0.5
207.02927	0.4
211.03935	0.7
213.05432	0.5
219.02898	0.4
219.06453	0.6
228.04196	0.8
229.04964	11.8
230.05359	0.2
232.03514	0.2
233.04483	0.3
239.03629	0.4
245.04419	0.4
246.28029	0.2
247.06091	1.1
257.04428	5.9
258.05014	0.3
274.04752	1.7
275.05420	0.5
276.79907	0.2
285.03943	2.7
303.04990	100.0
304.05344	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	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79012	0.3
54.90988	0.3
55.01871	0.7
65.03933	0.9
67.05505	0.6
68.99786	2.1
69.03405	0.5
71.10578	0.7
71.10915	0.5
79.05462	0.4
81.03409	1.0
81.07057	0.7
91.05457	0.8
93.03387	0.7
93.07014	0.8
95.04953	1.4
103.05455	0.6
105.07027	0.7
107.04951	0.5
109.02872	1.5
111.00808	2.0
117.06970	0.6
121.02863	2.7
121.06503	2.5
123.04443	1.4
127.03900	0.4
133.06451	1.0
135.04445	0.7
137.02339	8.8
137.03378	0.5
137.06113	0.3
145.06480	0.7
149.02336	0.8
149.05986	3.9
153.01828	10.0
155.04884	0.9
161.05991	1.6
163.03905	2.6
165.01839	4.2
166.02657	0.8
173.05981	1.7
177.05475	0.4
178.06285	1.6
179.03445	0.6
183.02892	1.7
183.04410	0.9
187.03932	0.9
191.03355	0.4
193.08633	0.6
195.02986	0.5
201.05479	4.8
205.05080	0.6
210.14217	0.3
211.03836	0.6
213.05498	0.4
215.03380	0.4
219.02980	0.4
219.06548	1.1
228.04047	0.7
229.04964	10.8
230.05333	0.4
232.03589	0.3
239.03331	0.3
247.06032	1.2
257.04443	5.4
274.04755	1.6
275.05481	0.5
285.03900	2.6
303.04984	100.0
304.05365	3.3
322.99100	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	2.5
57.68270	0.9
71.56459	1.0
71.56849	1.0
76.46024	0.9
85.57008	0.9
86.34049	1.0
116.98621	1.6
119.01907	7.3
120.02008	1.2
131.01904	1.9
137.02956	3.5
142.03477	1.1
160.04509	1.0
176.98524	1.2
177.00961	21.5
178.01024	1.2
179.00769	1.3
182.99908	1.9
184.57773	1.1
200.98376	2.1
201.00949	4.0
214.96539	15.1
218.01439	0.9
218.03661	2.5
219.02000	100.0
219.98779	1.2
220.02063	2.0
221.01749	5.5
223.01485	1.4
242.03552	5.6
256.97552	46.5
258.97198	1.7
259.00018	1.5
261.03055	21.3
262.03192	6.0
263.03046	1.9
269.98779	1.1
274.97690	9.9
277.01117	1.7
279.02496	1.3
279.98495	7.0
280.97479	1.6
288.00119	1.3
297.99225	2.3
298.98480	26.1
315.95889	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67101	0.2
55.01880	0.4
65.03942	0.5
67.01860	0.4
67.05510	0.3
67.57290	0.2
68.99786	2.3
69.03418	0.4
70.12000	0.8
81.03407	1.0
91.05444	0.2
93.03399	0.9
95.04948	0.9
98.21471	0.2
103.05455	0.2
104.90797	0.2
105.03391	0.3
107.04932	0.3
109.02840	1.2
111.00803	2.3
111.04443	0.2
117.07020	0.4
121.02866	2.4
123.04433	0.6
127.03926	0.9
128.06177	0.2
131.04904	0.4
135.04388	0.7
137.02344	7.7
137.03404	0.6
137.41290	0.2
145.06505	1.1
149.02345	0.9
153.01825	10.9
154.02156	0.3
155.04897	1.4
159.04340	0.4
161.05963	0.7
163.03864	1.7
165.01843	4.6
166.02582	0.8
167.03427	0.2
173.05972	1.8
177.02010	0.2
177.05493	0.3
179.03485	0.5
183.02882	2.2
183.04437	1.0
187.03931	1.1
191.03400	0.4
191.07014	0.4
194.02118	0.2
195.02890	0.6
201.05479	5.2
205.04932	0.6
211.03851	0.4
213.05347	0.4
215.03490	0.3
219.02908	0.4
219.06529	0.6
228.04201	0.5
229.04956	10.5
230.05333	0.3
239.03459	0.6
247.06013	1.6
257.04446	6.5
258.05060	0.2
274.04776	1.4
275.05276	0.4
285.03928	2.7
303.04984	100.0
304.05307	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95038	1.1
55.05499	1.5
56.05022	1.8
56.96553	2.7
57.07070	7.2
65.03930	2.4
67.01859	1.6
67.05511	1.9
68.05019	1.3
68.99770	3.5
69.07059	1.6
69.25536	5.6
69.25969	8.7
70.06589	30.0
71.08614	3.0
71.39369	1.3
72.08125	4.4
77.25536	1.2
79.05480	1.5
81.07027	2.9
82.06594	1.4
84.04510	2.3
84.08115	3.8
85.02879	1.7
86.09705	52.3
88.07630	15.9
91.05482	2.9
93.07053	1.5
95.04942	2.4
95.08556	1.6
97.02904	1.3
102.09157	4.4
104.85533	1.4
106.08685	9.0
107.04953	1.8
110.07152	1.7
113.35634	1.3
119.04912	1.7
121.02881	3.5
123.04417	14.3
127.03924	1.6
129.10260	2.5
130.06520	1.4
135.04384	1.8
137.02351	7.4
139.03900	6.4
146.05965	1.3
147.04387	9.0
149.02379	2.4
151.03899	22.9
153.01797	10.5
153.05461	5.3
157.07700	1.4
157.13370	6.8
161.05984	2.1
163.03902	4.2
165.01793	3.1
165.05490	2.5
167.07002	6.9
173.05989	3.2
179.03421	1.7
181.04959	2.9
182.39629	1.3
185.12857	4.8
188.07146	1.5
189.12306	2.4
191.03387	1.6
193.04916	2.9
199.18127	6.4
201.05405	3.8
219.06548	1.8
229.04936	6.4
247.05948	2.5
257.04401	4.7
274.04523	1.8
275.05621	2.5
284.29425	5.5
285.04004	3.4
285.07190	1.4
302.03958	2.8
302.15118	1.9
302.27399	3.4
302.30505	100.0
303.01648	2.6
303.05008	65.9
303.08606	6.9
303.30963	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	302.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
56.96535	1.2
58.49992	0.6
60.04500	0.8
61.15549	0.6
62.04493	0.6
62.51883	0.6
65.03934	1.3
67.05507	1.5
68.99786	2.3
69.03437	0.7
69.07062	5.9
70.06575	1.2
71.57954	1.2
72.08160	1.2
75.05599	12.9
78.57546	0.7
79.05485	1.2
81.03431	1.1
81.07066	1.0
82.06566	1.2
82.07375	0.7
84.04504	1.2
84.08140	1.3
86.09702	100.0
87.10062	1.0
88.03983	0.7
91.05468	0.9
93.03345	0.8
93.07026	1.0
94.06573	0.9
95.04967	1.0
95.08573	0.6
97.02895	1.4
105.07063	0.8
107.04952	2.8
109.02848	0.9
109.06464	0.7
111.00819	1.4
115.05470	0.7
117.07011	0.7
121.02855	5.8
123.04443	1.6
124.07497	0.7
132.10197	9.1
134.99625	0.6
135.04382	1.3
137.02347	7.2
137.06013	0.8
138.02704	1.5
139.03922	1.0
143.11787	67.8
144.12106	1.3
145.06493	1.3
147.04422	1.2
149.02312	4.0
149.05948	0.7
150.03091	1.4
151.03577	1.1
153.01811	7.3
153.05489	0.8
153.58578	0.7
155.04970	0.9
161.06149	0.7
161.09775	0.7
163.03914	1.2
165.01845	2.1
165.05511	0.6
167.07053	0.8
168.07527	0.8
169.01352	0.7
171.11282	16.2
173.06024	2.0
177.01826	2.0
183.02884	0.9
183.04401	1.0
185.05632	1.0
187.03928	1.3
189.12296	3.6
201.05418	4.9
202.05861	2.5
213.05229	2.3
214.05829	2.4
219.02934	1.5
219.06516	3.2
228.03946	0.8
229.04903	7.6
242.05330	1.5
245.18774	0.8
247.06038	2.4
257.04453	4.2
270.04852	0.7
274.04773	1.5
275.05573	1.9
285.03989	2.7
286.04620	1.3
287.05020	12.5
287.07928	0.8
302.04126	1.7
302.07379	19.5
302.10965	1.3
303.04965	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63442	0.3
53.03946	0.5
55.01863	0.9
55.05525	0.3
55.80297	0.3
61.09958	0.3
63.09699	0.3
65.03931	0.7
67.01873	0.5
67.05505	0.9
68.99789	3.1
69.03432	0.6
69.07044	0.8
70.06584	1.0
71.01360	0.4
71.05020	0.3
71.57896	0.5
72.08134	0.3
74.02451	0.3
75.05594	0.6
79.05489	0.6
81.03428	1.1
81.07064	0.7
83.04998	0.3
84.08144	0.5
86.09702	44.2
87.00809	0.5
89.41332	0.3
91.05478	6.3
93.03386	0.7
93.07025	0.7
95.04946	1.6
97.02889	1.2
103.05468	1.2
105.03381	0.6
105.07008	1.8
107.04942	0.9
109.02881	1.9
109.10115	0.5
111.00790	2.4
111.04475	0.4
115.05478	1.6
117.07017	3.1
119.04919	0.4
120.08082	0.3
121.02868	3.2
122.03606	0.3
123.04433	1.5
123.11716	0.3
127.03944	0.8
128.06190	3.2
129.06987	3.4
130.06528	0.6
130.07793	0.8
130.08620	0.7
131.04936	0.8
131.08559	2.9
132.08041	0.3
132.10213	4.5
133.06482	0.5
135.04411	1.3
137.02339	8.6
137.03372	0.5
137.05991	0.5
139.03905	0.4
141.06972	1.1
143.08589	3.5
143.11787	30.9
144.08054	0.4
144.12128	0.4
145.02855	0.4
145.06476	2.3
145.08391	0.4
145.10114	5.2
147.04378	0.4
149.02353	1.0
149.05975	0.3
151.03938	0.5
152.06183	0.8
153.01819	11.9
153.07063	1.4
155.04950	1.5
155.06039	0.5
155.08507	0.6
161.05991	1.1
163.03905	1.7
165.01828	4.5
166.02589	0.6
169.06444	0.9
171.08086	2.2
171.11282	7.0
173.05981	2.1
173.09605	4.5
174.14940	0.6
176.95309	0.3
177.01877	0.4
177.05446	0.6
179.03409	0.6
181.06474	3.0
183.02890	1.9
183.04431	1.0
187.03902	1.2
191.03307	0.4
195.02910	0.7
197.06021	1.0
198.49928	0.3
199.07538	3.4
201.05457	5.3
202.07187	0.4
205.04927	0.4
213.05435	0.7
217.08601	1.0
219.06473	1.7
228.04181	1.2
229.04951	10.6
239.03354	0.6
243.02834	0.5
243.06488	0.5
245.18781	0.4
247.06024	1.4
257.04431	5.5
274.04776	1.6
285.03961	3.4
302.04172	1.0
302.07321	0.6
302.17401	0.4
303.04980	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.4
56.96568	1.5
58.54809	0.7
60.04523	0.7
67.05500	1.4
68.99782	2.7
69.07068	6.8
71.57521	0.9
71.57906	0.9
72.08162	1.7
74.06082	1.4
75.05597	12.8
79.05492	1.3
81.07045	1.3
82.06578	0.8
83.04943	0.8
84.04521	0.9
84.08179	1.6
86.09702	100.0
88.04002	2.4
88.07616	0.8
91.05483	1.0
97.02914	0.9
107.04970	3.1
109.02874	0.8
111.00803	1.4
115.05440	0.9
116.07028	0.7
121.02897	4.5
123.04463	1.2
127.03894	1.1
129.10243	0.9
132.10196	10.5
135.04417	1.5
137.02321	7.7
138.02660	1.6
143.11789	79.4
146.03653	0.9
146.10474	0.9
149.02351	2.1
150.03120	1.4
151.03546	0.9
153.01816	9.0
155.04860	1.7
162.05646	0.9
163.03957	1.9
165.01866	2.8
168.07437	1.0
171.11285	14.2
173.05971	1.8
178.06226	1.3
183.02881	1.3
185.05585	1.4
187.03902	1.9
189.12329	2.1
201.05472	5.2
202.05865	2.5
205.05067	1.2
213.05298	1.9
214.05794	3.0
219.03154	1.3
219.06543	1.8
229.04973	8.8
242.05287	1.0
247.06052	1.8
248.16475	1.2
257.04416	4.2
258.16946	0.8
266.17648	1.1
270.04800	1.4
274.04828	1.6
275.05450	1.2
285.03870	1.8
285.12231	0.8
286.04559	1.1
287.05032	11.4
301.03519	1.1
302.04031	3.9
302.07309	18.6
302.10910	0.9
303.04962	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	302.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	21.6
56.05033	10.4
57.03425	9.1
62.30615	5.0
67.04275	5.2
67.05488	15.1
69.03426	11.5
69.07027	7.0
70.06593	34.3
71.42878	10.3
72.08154	26.7
74.06081	45.3
78.71876	6.2
79.05475	10.2
81.03411	15.6
81.07032	15.1
82.06593	43.4
82.25174	5.0
83.04982	29.5
83.08593	8.0
85.02896	36.1
86.09709	15.6
87.40035	5.4
91.05488	34.6
94.06576	43.6
95.04962	9.9
96.08114	12.1
97.02885	24.8
98.06063	7.4
100.07615	8.8
107.04967	16.5
108.08092	16.6
109.06567	6.3
110.05982	7.2
112.07592	22.3
115.25150	6.2
120.08131	7.7
121.06485	6.4
122.06004	11.6
123.04453	8.6
126.05431	7.3
127.03937	14.1
128.07077	11.0
130.06534	65.0
132.07994	6.1
136.07599	10.5
136.11160	5.4
137.02318	9.6
137.06058	5.4
140.07036	31.0
143.11789	7.7
147.04384	10.3
152.07066	15.8
153.01804	17.3
157.13419	5.4
162.05434	7.6
164.06976	11.5
178.08673	6.4
182.08134	36.6
193.12268	10.5
197.74564	5.2
206.08098	19.8
211.13292	14.2
220.16945	17.3
229.04967	11.3
238.18083	9.8
246.63629	5.2
248.09332	6.1
248.16579	29.8
257.04318	7.8
257.08163	7.1
266.17557	24.6
284.18475	18.3
301.76355	6.9
302.11484	9.4
302.19412	41.1
303.04987	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	1.6
55.01883	2.6
57.03429	3.3
57.28374	1.5
61.02932	4.2
65.03941	3.3
67.05502	44.2
69.03429	23.6
69.07069	20.9
69.86410	9.5
70.06591	7.1
73.02918	2.6
74.18665	1.6
81.03436	5.1
84.08157	2.1
85.02907	49.4
86.09701	3.6
94.06562	2.8
95.04967	57.8
97.02894	48.8
98.20766	2.3
99.04465	2.3
103.03942	4.8
109.02879	10.0
112.07602	42.5
112.99207	1.6
113.06014	5.4
122.06043	2.5
123.04436	2.3
124.07599	3.5
127.03914	11.1
136.07600	3.2
137.06009	2.4
140.07062	100.0
145.04984	3.8
153.01775	2.5
154.08714	8.2
158.08203	2.3
164.07014	1.8
178.08614	2.3
182.08122	74.7
185.29449	1.4
206.08147	17.4
229.05066	1.8
248.09163	12.3
302.11945	2.3
303.04968	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	302.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.8
61.02930	3.2
67.05173	3.0
67.05503	37.3
69.03435	19.7
69.07058	9.5
70.06581	2.8
71.35987	3.5
71.36317	3.3
72.08134	3.2
73.02908	4.6
81.03415	8.8
85.02906	48.3
86.09689	6.5
95.04968	53.6
97.02886	41.9
103.03928	3.8
109.02849	7.8
110.06098	3.1
112.07615	36.7
113.06006	5.9
123.04401	2.7
124.07623	4.0
127.03899	7.1
134.05995	2.5
136.07561	4.9
137.02328	3.2
140.07065	100.0
152.07077	3.8
154.08600	6.9
164.07101	4.4
165.63237	2.4
182.08134	70.0
206.08116	16.6
248.09135	10.6
303.05115	16.9
303.14197	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	302.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76975	0.9
67.39855	1.1
69.49065	9.7
89.56541	1.0
90.95346	1.2
104.53078	0.9
113.54623	0.9
119.01891	6.2
137.02950	4.4
165.17790	1.0
177.00941	18.8
178.01073	5.0
179.00743	4.7
217.04117	1.9
218.03609	1.3
219.02003	28.1
220.02066	12.8
221.01788	14.7
222.01755	1.5
225.00906	2.2
234.99992	1.6
243.02014	4.6
254.96667	1.6
260.04828	2.5
261.03067	100.0
262.03174	8.6
263.03119	2.8
265.02783	2.2
277.01108	2.1
278.03601	1.8
282.99768	1.4
284.00134	2.6
284.04669	3.8
296.97604	1.9
301.00998	3.9
302.01117	4.5
302.06003	11.2
302.09274	1.8
303.00970	1.8
303.05325	1.4
320.05130	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.121
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	2.4
67.05487	2.2
69.03411	1.7
70.06585	3.0
71.04155	1.4
71.04494	2.0
71.85788	0.9
72.08146	2.2
81.07049	1.2
84.08143	1.9
85.02878	3.4
86.09689	3.0
97.02873	2.9
97.78321	1.1
140.06946	4.3
151.03798	1.5
153.01743	1.7
163.41489	1.0
165.05498	1.0
167.06953	1.1
185.04150	3.8
225.09109	1.2
237.02721	2.3
240.12329	1.2
267.10965	1.4
302.12088	100.0
303.05032	8.9
303.13718	1.2
304.88376	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01664	3.5
55.01871	35.8
55.05511	44.1
56.02635	3.7
57.03184	4.6
57.03440	56.8
57.07068	4.3
59.30243	3.5
61.02900	3.5
67.05508	44.1
69.03420	8.7
69.07050	16.4
69.26628	28.9
69.27048	13.3
70.94718	3.5
73.02930	20.1
74.22804	4.2
79.05495	51.0
81.03418	10.5
81.07053	41.8
82.04189	8.7
83.04982	23.4
83.08624	17.8
85.02892	5.0
87.04436	3.6
91.05476	28.6
93.07050	36.4
95.04987	19.7
95.08598	13.3
97.02870	7.0
97.06525	6.4
97.10176	24.4
98.07308	15.4
101.06002	4.4
105.07005	10.9
107.04946	9.0
107.08604	26.2
109.10172	7.0
111.04430	5.3
116.04713	35.7
119.08591	9.1
121.10136	12.6
123.08075	8.6
124.81191	3.4
125.09634	20.6
129.05489	100.0
129.06970	5.6
131.08549	8.0
133.10106	8.0
135.11644	4.1
143.07039	24.7
145.10176	4.8
147.11670	7.9
149.09668	4.4
154.73531	3.5
157.08607	40.2
163.11143	4.8
171.10127	11.7
175.11105	4.1
185.11832	4.9
189.11243	24.8
199.13280	12.4
200.14090	8.3
210.30344	3.2
227.12737	9.1
227.74486	3.4
247.22923	3.6
301.03699	6.6
301.07101	9.6
301.13895	3.7
301.16550	45.5
317.32562	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	301.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	100.0
58.74588	0.6
70.74545	0.7
70.74846	1.0
71.95267	2.3
72.96049	6.8
74.97599	3.3
83.97636	2.9
84.96033	3.0
86.09702	8.8
96.81197	0.6
97.99156	0.8
110.97542	0.7
116.00290	0.5
120.98062	0.5
124.00753	1.4
126.02299	5.5
128.98653	1.8
132.10162	0.8
133.01784	0.5
140.03851	5.8
142.01764	2.7
142.05397	3.5
144.03320	6.8
146.99707	2.1
147.03204	0.6
153.02283	0.5
158.04900	19.7
160.06467	25.7
161.04915	1.6
162.04410	1.3
170.04913	4.9
171.03387	2.1
172.08186	0.7
176.05969	10.4
178.07527	15.2
179.05994	0.9
188.05951	19.6
189.04358	18.5
189.06050	1.2
189.45419	0.6
206.07007	27.5
207.01659	0.6
207.05412	18.3
223.09831	0.7
224.08064	49.1
225.08517	0.7
229.08572	0.8
234.06508	0.7
242.06923	0.7
242.09174	1.8
247.09721	0.9
257.15436	0.7
260.08035	0.8
284.11768	1.0
285.10025	0.8
291.15945	1.0
301.14264	10.1
302.09525	1.1
302.12701	5.4
319.15417	57.9
320.16058	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70238	0.5
56.96576	0.6
61.85611	0.6
67.05508	1.0
69.07044	0.7
69.98302	3.8
70.06577	0.7
81.07041	1.3
84.08132	1.0
85.02883	1.1
85.96336	0.6
88.54183	0.7
91.05466	0.7
96.06871	1.8
96.97006	0.7
98.21246	1.6
98.97591	1.0
109.07711	0.9
125.07101	2.3
138.09033	0.6
139.03905	1.1
139.05000	0.8
139.08626	1.6
149.05951	0.6
155.01862	0.6
167.07100	0.9
171.07646	3.9
177.05513	0.6
209.07771	0.9
221.05087	4.6
221.23994	0.6
269.14984	2.9
301.12573	100.0
302.12839	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01005	1.3
53.03962	1.6
54.61255	1.2
55.01872	7.4
55.05503	1.7
57.03439	2.4
65.03927	6.6
67.05474	4.3
69.03391	1.8
69.07070	2.1
70.06597	1.8
70.67619	2.7
70.67990	3.3
73.02917	37.9
75.04459	2.0
79.05502	2.6
81.03412	1.7
82.04181	2.0
85.02897	3.0
87.33699	1.3
91.03934	1.8
91.05460	4.2
93.07001	2.7
95.04959	13.9
103.05412	2.6
107.04923	3.6
110.03651	2.9
111.04453	3.4
119.04914	1.7
121.06524	3.0
123.04420	17.1
125.02362	3.1
125.06004	2.8
137.05978	1.8
139.03920	3.3
140.04683	70.4
142.02609	1.6
147.04404	5.8
147.06482	3.2
149.05978	2.9
151.03902	2.3
153.05458	3.2
154.46118	1.5
155.07028	81.1
161.05965	1.6
163.03868	1.5
167.07173	2.0
171.06541	5.5
173.08107	7.3
177.05481	2.2
179.06943	3.3
181.04961	100.0
181.08417	3.9
182.05348	2.5
203.53722	1.6
209.08098	20.3
211.13322	1.5
227.09151	40.9
241.08432	1.7
254.01834	1.5
255.11235	2.1
270.10275	1.8
270.16800	1.6
273.03802	1.5
273.11917	1.8
283.11066	2.4
301.03464	3.3
301.07004	3.0
301.11847	10.5
302.11987	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63888	2.3
51.36176	2.2
53.03931	2.9
55.01896	2.3
55.05493	2.4
55.20664	2.2
56.96552	5.7
57.03428	3.4
64.76180	2.6
64.77723	2.3
65.89974	2.5
69.03427	5.0
70.48643	9.0
79.05482	6.0
81.07069	3.1
84.04516	3.5
84.08126	6.5
85.02885	4.9
86.09726	2.9
89.28448	2.2
91.05463	10.4
93.07039	4.4
95.04971	5.9
97.02883	5.5
98.20901	3.2
98.21432	3.0
103.05465	10.0
107.04940	6.9
117.55578	2.7
119.04956	4.8
121.06488	25.5
121.08416	3.8
122.06007	2.8
122.06831	7.3
123.04418	9.3
124.05189	3.1
126.70175	2.9
127.03880	2.5
129.13849	3.7
131.04898	10.7
133.02859	3.3
135.04372	3.8
137.05963	13.0
139.03940	3.1
139.04948	4.7
139.08600	3.7
140.03423	2.5
140.04712	3.6
147.04404	4.2
149.05966	18.4
151.03853	5.7
151.07518	3.7
152.04700	3.6
152.07091	3.7
153.05547	4.3
159.04378	6.6
161.05898	2.3
163.03871	2.6
165.05449	7.0
167.07031	100.0
167.08438	5.6
168.07414	2.7
171.07602	4.2
176.04593	3.9
177.05466	38.3
191.07085	2.8
194.05624	2.3
204.25961	2.2
209.08078	24.5
225.07745	2.7
227.09151	14.0
301.12469	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	301.107
Annotation	Isosativanone
Peak:m/z	Relative Intensity
64.74747	2.2
67.05495	4.3
68.99788	5.3
69.47186	17.5
69.47604	5.1
79.05482	7.7
81.07057	2.9
91.05478	9.4
93.07042	4.3
95.04984	4.5
103.05486	3.7
105.07011	7.4
107.04961	71.5
109.06471	3.3
114.91428	2.4
121.06512	15.1
123.04390	3.3
135.04419	100.0
135.05432	5.9
135.08047	9.4
137.02342	15.5
137.05949	15.2
138.06740	2.5
139.03845	6.2
139.07527	10.2
147.04378	17.1
149.05980	12.6
151.03963	6.3
151.07545	22.5
158.51918	2.5
163.02557	4.3
163.03909	68.3
163.07558	13.2
167.07066	13.5
169.06525	3.3
173.05942	2.9
181.06458	4.2
182.07365	4.3
194.28955	2.7
197.06104	2.7
198.06711	5.6
213.09097	30.7
226.06004	4.7
237.05553	2.4
241.05147	3.3
241.08514	18.3
242.09070	2.8
243.06590	3.6
269.08038	10.8
271.06042	7.3
272.06400	2.7
273.11176	38.9
283.09650	6.8
286.04739	4.4
286.07504	3.2
301.03726	4.3
301.06909	8.5
301.10425	35.1
301.14056	5.9
301.21423	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	301.1069
Annotation	2'-Hydroxy-7-methoxy-4',5'-methylenedioxyflavan
Peak:m/z	Relative Intensity
53.03941	2.2
54.14561	1.0
59.15755	1.2
65.03944	7.3
67.05487	2.2
68.99781	1.9
70.38532	4.7
78.56475	1.1
79.05475	6.3
81.07035	1.8
85.44637	1.1
91.05501	9.6
93.03411	16.3
93.06989	1.2
95.04953	4.7
95.08558	1.7
97.02833	1.0
107.04932	3.0
109.06503	12.6
109.10154	2.1
110.03672	1.4
121.06494	19.8
123.04408	2.7
126.78161	1.2
133.06435	1.8
134.12004	1.2
135.04381	2.1
137.05969	100.0
138.03142	6.4
139.07533	8.1
145.06471	2.0
147.11674	1.5
149.05998	3.9
151.03905	1.5
151.07538	56.2
153.05467	42.9
153.06737	1.9
161.05991	11.4
163.03882	30.3
163.07486	3.3
175.07561	5.5
177.05460	5.0
190.37010	1.3
195.08148	1.8
197.06000	1.6
203.10728	1.4
223.07341	1.3
240.07825	1.8
241.08533	2.3
243.10167	4.3
251.06938	1.3
269.07990	5.4
271.06097	1.3
271.09531	2.5
273.11172	1.8
283.09677	5.7
286.04419	1.7
286.07837	1.5
298.63324	1.4
301.06989	2.8
301.10513	15.4
301.14136	2.3
301.21762	1.8
301.25085	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	301.107
Annotation	Sophoracarpan A
Peak:m/z	Relative Intensity
53.03951	1.9
55.01882	2.2
55.05498	1.8
56.96567	1.9
65.03953	1.7
67.05499	3.6
67.51959	1.7
68.99768	5.2
69.45531	16.4
70.05127	1.4
75.55621	1.9
79.05487	13.5
81.07055	3.4
91.05476	7.3
93.07039	4.8
95.03464	1.6
95.04967	6.8
95.08614	3.2
95.95708	1.6
105.07024	6.7
107.04960	25.0
107.08593	5.7
109.10147	3.6
116.98509	1.6
117.06954	1.7
119.04922	11.2
119.08590	4.6
121.06509	8.7
121.10153	3.3
123.04440	6.8
124.05245	4.7
125.05935	3.0
128.38405	1.7
129.06920	1.9
131.04941	7.0
133.10120	2.2
135.04376	2.8
137.06000	5.0
137.22635	1.5
145.10110	5.5
147.04417	40.0
147.11684	3.8
149.02347	1.9
149.06012	3.1
151.03915	4.0
152.04648	2.5
153.01840	21.6
153.05479	3.5
153.06879	2.8
157.06401	2.2
159.11716	4.4
161.05946	4.5
165.01942	1.9
165.07030	2.5
167.07054	23.3
169.06496	3.1
171.08055	3.6
181.06480	4.4
184.05206	1.9
185.05977	2.4
189.05553	3.5
191.07057	5.8
193.12080	1.8
195.08104	4.4
197.05972	5.4
198.06763	5.3
199.14957	2.0
209.05992	3.1
211.07367	3.2
213.05518	3.2
213.09142	5.5
215.07166	2.4
223.07478	2.9
226.06252	7.0
227.07074	4.9
229.04996	2.8
230.05656	1.9
237.05539	5.4
239.07011	2.9
241.04953	19.0
241.08482	8.2
243.06656	2.6
245.08067	5.2
253.04883	2.7
254.05858	3.2
255.06497	3.9
255.21068	10.2
258.05252	2.3
258.08636	2.1
268.03650	3.1
269.04984	3.7
269.08102	18.5
271.06003	6.3
273.07758	2.7
273.11240	6.6
283.06012	2.7
286.04877	3.2
286.08197	7.1
301.07050	100.0
301.10672	54.6
301.14130	4.3
301.21625	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	301.1069
Annotation	2,4-Dihydroxy-6,4'-dimethoxychalcone
Peak:m/z	Relative Intensity
53.00312	1.6
53.03937	2.1
55.01871	2.4
65.03945	5.9
65.04234	1.2
67.05506	7.7
68.99778	2.8
69.03407	2.5
69.79050	4.1
69.79455	2.7
71.04986	1.1
79.05491	3.7
81.07053	4.7
83.04964	2.5
91.05470	7.0
93.03401	5.4
93.07041	5.2
94.04172	1.7
94.95606	1.4
95.04967	3.9
95.08595	4.8
96.05756	1.8
103.05457	1.7
105.07016	5.8
107.04956	55.6
107.08594	2.0
108.05751	7.7
109.02866	1.9
109.06525	3.0
109.10180	1.4
111.04431	5.9
118.04140	1.6
119.04938	2.2
119.08591	2.9
121.02872	6.9
121.06554	1.8
121.10120	1.8
123.04429	6.2
123.11722	1.7
124.05222	14.7
125.05985	3.2
131.08559	1.9
133.02856	2.4
133.06473	2.0
133.10141	2.5
134.07335	1.2
135.04413	45.9
135.05431	2.8
137.02342	13.6
137.05977	2.7
139.03905	91.8
139.07535	58.7
140.04178	1.3
145.10095	2.3
145.12166	1.2
147.04477	1.9
147.11725	2.5
149.05962	1.7
150.06795	3.2
151.03902	100.0
151.07526	22.5
152.06262	2.1
153.06975	2.7
159.11665	1.9
163.03906	81.8
164.08362	2.8
165.05502	2.5
165.06978	2.3
165.09106	5.4
167.07039	31.2
169.06508	2.2
173.09702	1.2
175.03906	11.2
179.03424	2.4
181.06485	3.0
185.13231	1.3
191.03346	1.3
191.07025	2.0
195.07997	1.2
197.06003	3.9
198.06769	3.5
200.35704	1.3
205.56036	1.3
213.05556	1.7
213.09116	2.5
225.05521	1.3
226.06197	1.6
227.07010	1.9
241.08563	3.8
255.10924	1.5
255.21216	1.5
258.05243	8.3
271.06015	2.5
273.03839	2.8
273.11118	2.1
283.06036	2.1
283.20575	1.5
286.04724	11.5
301.03659	2.0
301.07022	30.3
301.10706	49.1
301.14081	2.4
301.21570	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.107
Annotation	Isosativanone
Peak:m/z	Relative Intensity
51.00170	2.0
53.03947	4.2
55.05481	3.2
57.03430	5.1
65.03918	4.5
67.05493	4.3
68.99772	3.2
69.03426	2.6
70.06580	2.4
71.04951	2.8
71.58772	2.8
79.05476	5.8
81.07050	6.9
89.03911	4.1
91.05471	18.0
93.07048	8.3
95.04958	8.8
103.05460	4.6
105.03380	2.9
105.07012	6.7
107.04955	11.4
107.08582	5.6
109.02838	2.3
109.06549	5.1
109.10118	3.0
110.03641	3.6
111.04420	7.6
115.05447	3.3
118.04139	2.3
119.04924	3.9
119.08563	2.6
121.06487	50.5
121.10117	2.6
122.03628	2.7
125.05985	15.1
131.04924	3.5
131.08530	4.9
133.02847	14.1
133.06456	6.7
133.10139	2.9
134.03630	3.1
135.04454	13.9
137.02325	7.4
137.04988	3.9
137.05969	38.0
138.03091	4.4
139.03929	3.2
141.07013	3.9
145.10158	3.0
147.04411	5.8
149.05972	72.4
150.06726	9.3
151.03886	31.7
151.07526	4.9
152.06215	5.6
153.05464	30.5
153.06941	7.6
157.06512	2.7
161.05948	4.7
163.03911	31.4
164.04639	2.6
164.18398	2.2
165.05707	2.9
165.07024	7.8
167.03436	4.9
167.08458	2.6
168.05692	4.0
169.06450	6.2
170.07217	3.2
171.04536	2.5
173.13251	2.2
177.05478	68.2
181.03496	4.7
181.04939	5.2
181.06474	16.8
182.07228	4.3
183.04480	4.3
183.08078	5.9
184.08774	2.5
195.08073	6.7
196.05232	2.8
197.05992	14.4
198.06767	10.7
199.04465	2.4
199.07611	2.6
209.05997	3.9
210.06790	3.0
211.07552	5.5
212.05093	3.5
212.08180	5.7
213.05568	2.6
213.09213	6.3
223.07565	5.1
224.08353	3.0
225.05409	9.7
226.06210	13.6
227.06985	7.9
227.10690	7.4
229.04590	2.8
229.08621	3.1
237.05402	4.6
239.06741	3.8
240.07564	17.7
241.08562	19.2
243.06381	6.5
252.07689	3.4
253.04950	4.3
255.06638	5.5
255.11407	11.9
258.05359	3.1
258.08685	4.3
268.07230	10.6
269.08020	7.8
271.05765	2.8
272.06219	3.4
273.07822	2.6
273.11166	7.5
283.06027	29.8
283.09662	44.5
286.04849	3.7
286.07907	19.4
301.03510	4.8
301.06998	62.2
301.10654	100.0
301.14154	5.4
301.21185	2.8
302.07196	3.3
302.10703	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	301.1068
Annotation	7,4'-Dihydroxy-2',5'-dimethoxyisoflav-3-ene
Peak:m/z	Relative Intensity
53.03951	0.9
55.01875	1.1
65.03954	0.9
67.05502	5.5
68.99786	1.0
70.29094	1.7
70.29488	2.0
79.05492	5.4
81.07043	3.4
91.05461	2.8
93.07021	1.0
95.04959	7.7
96.05730	1.4
101.39893	0.9
105.07016	1.0
107.04939	3.3
109.02886	4.2
109.06512	3.7
109.41875	1.0
110.03654	1.4
111.08085	4.1
119.04942	1.4
123.04421	97.9
124.05230	8.5
125.05984	3.6
129.07025	1.6
135.04411	2.7
137.05943	2.4
139.07536	25.9
139.08620	1.3
141.06985	1.0
147.04410	9.6
148.05092	1.1
151.07469	1.0
153.05466	6.4
163.03871	7.9
163.07533	1.0
167.07036	100.0
168.07361	2.1
176.04666	1.6
179.06938	1.0
181.06395	1.2
191.07025	16.7
192.07832	0.9
198.06728	1.2
208.84515	0.8
208.98811	0.7
209.05884	0.9
232.54631	0.8
241.08527	1.8
253.08661	1.1
254.12305	0.8
255.06548	1.4
269.08023	2.2
270.08923	2.5
273.11127	2.0
286.04684	0.9
286.08023	1.7
301.03638	1.6
301.07068	2.5
301.10614	15.3
301.14078	1.5
301.21585	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1069
Annotation	Astraciceran
Peak:m/z	Relative Intensity
55.01867	1.3
67.05499	2.7
70.13042	1.5
70.13335	6.5
79.05488	5.2
95.04971	7.0
103.05457	2.5
105.06975	1.6
107.04955	4.9
118.04178	4.5
123.04429	100.0
133.06493	63.5
134.06766	1.8
135.04414	16.0
149.05971	6.1
161.05981	44.1
165.05479	80.1
166.05794	3.3
179.06976	3.0
191.07025	12.2
202.04678	1.4
247.95302	1.5
261.19260	1.3
301.29288	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1072
Annotation	Sativanone
Peak:m/z	Relative Intensity
50.56111	1.3
63.46703	1.2
65.03933	13.2
67.05474	2.2
68.99792	3.4
71.10239	4.0
79.05486	3.3
91.05484	16.3
93.03405	30.9
95.04961	5.6
103.05444	1.5
107.04915	3.6
111.04469	2.4
117.72693	1.8
119.04921	4.6
121.06509	38.4
123.04445	10.2
125.05979	2.6
133.06465	4.2
135.04399	2.5
137.05971	7.6
139.03880	5.3
139.07538	20.2
145.06485	2.6
147.04428	2.8
149.05934	4.9
149.07034	1.4
151.07544	100.0
153.05432	3.4
154.06252	5.4
161.05949	6.5
162.37759	1.2
162.53662	1.3
163.03911	51.7
163.07558	4.1
164.08400	1.7
165.05493	5.9
167.07082	4.0
167.65004	1.4
175.07565	10.1
176.08145	1.4
177.09113	2.0
189.09074	1.5
191.07130	1.8
197.06039	1.6
198.06758	1.3
212.08211	1.8
213.08987	1.7
227.06937	1.7
227.10567	1.7
240.07872	1.9
241.08606	3.3
255.10048	3.8
273.07446	2.3
273.11090	2.8
283.09671	8.5
300.28937	1.9
301.07245	2.3
301.10675	24.9
301.13931	2.1
301.29236	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	301.1071
Annotation	Methylsainfuran
Peak:m/z	Relative Intensity
55.01864	0.8
55.05503	1.5
57.03438	0.9
66.80398	0.5
67.05493	2.3
67.59064	0.5
68.99785	1.1
69.03424	0.7
69.07050	1.6
69.56547	4.6
71.04984	1.1
75.78174	0.6
79.05473	2.4
81.03445	0.6
81.07068	2.7
83.04988	0.7
91.05486	2.9
93.07025	2.2
95.04951	2.1
95.08595	1.6
97.06548	2.8
105.07002	2.0
107.04953	2.7
107.08582	1.9
107.92484	0.6
109.06496	1.0
109.10178	1.4
111.04451	0.6
113.73680	0.6
115.05473	0.7
117.06961	1.0
119.04926	1.0
119.08557	1.6
121.02862	1.9
121.06481	1.2
121.10142	1.5
123.04436	3.0
123.08056	0.6
124.05228	0.7
125.05965	0.6
128.06218	2.0
129.06985	1.4
131.04933	1.0
131.08537	1.5
133.06459	0.9
133.10129	1.9
135.04388	1.9
135.08044	1.2
136.05208	3.3
137.02333	3.5
137.05922	1.7
139.03856	1.2
141.06969	1.8
142.07761	0.8
143.00536	0.6
143.08517	1.1
145.06499	0.9
145.10091	1.6
147.04399	2.8
147.07991	0.9
147.11662	1.2
149.02362	3.4
149.05952	1.8
149.09622	0.8
150.03099	0.6
151.03949	1.4
152.06189	1.4
153.06956	2.4
155.08531	1.2
156.05695	3.1
157.06503	3.5
157.10127	0.8
159.08015	0.8
159.11624	1.2
161.05962	1.3
161.09627	1.4
163.03917	3.1
164.04636	0.9
165.06950	1.5
167.07053	0.7
167.08484	0.6
168.05676	0.6
169.06482	1.5
170.07240	1.6
173.05966	1.6
173.09534	0.6
175.03848	0.9
175.07489	0.6
176.04668	0.9
177.05399	2.1
179.03462	0.8
181.06459	3.2
182.07321	0.9
183.04329	1.1
183.08026	2.3
184.05150	2.8
184.08748	0.7
185.05991	5.1
187.03833	1.3
187.07533	1.6
189.05450	1.9
191.03340	0.6
195.08002	0.9
196.35794	0.5
197.05963	3.2
197.13303	1.2
198.06693	1.9
199.07549	1.3
201.05475	7.2
202.06233	11.3
203.06993	1.4
203.14299	1.0
209.06119	0.9
210.06841	0.7
211.07465	1.6
212.04648	2.4
212.08301	5.2
213.05476	5.3
213.09038	0.9
215.07011	3.8
217.04970	1.4
217.08492	1.8
223.07626	0.9
225.05528	0.8
226.06183	2.9
227.06970	1.2
229.05005	3.0
230.05716	1.8
239.06868	0.6
240.05391	1.2
240.07829	19.8
241.04913	7.8
241.08467	3.0
242.05617	0.8
243.06555	5.2
245.08102	16.7
253.04994	0.7
255.06740	2.0
257.04480	1.2
257.08127	2.5
258.05243	1.4
267.06412	1.3
268.07315	13.9
269.04453	2.2
269.08011	5.3
271.06009	14.2
272.06686	1.0
273.04184	1.3
273.07593	6.7
273.10764	0.8
278.08716	1.7
285.04233	1.0
285.07513	7.7
286.04718	3.3
286.08295	11.5
296.09802	0.7
301.03397	3.5
301.07034	15.1
301.10638	100.0
301.21600	3.5
302.11102	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	301.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
55.01867	0.5
57.05766	0.3
65.03946	1.8
67.05499	0.4
68.99773	1.7
69.03458	0.3
69.83723	1.4
73.43674	0.3
77.52426	0.3
79.05494	2.4
81.03401	0.5
81.07053	1.3
84.07015	0.3
86.21771	0.3
91.05487	3.3
92.02621	3.7
93.03397	5.1
94.04185	0.6
95.01337	0.4
95.04939	1.5
104.93909	0.3
105.07008	0.3
107.04955	7.7
109.06500	0.4
110.03654	1.2
115.05517	0.6
119.04943	3.3
121.02879	3.4
121.06489	1.8
122.03671	0.4
123.04431	4.3
124.05212	3.7
128.06210	0.7
129.07001	0.5
131.04932	0.7
134.03720	0.4
135.04419	0.8
137.02336	28.7
137.05949	1.1
138.03079	0.5
139.03885	0.7
139.07532	3.8
141.07043	0.6
145.06427	0.3
147.04410	16.7
148.04942	0.3
149.02335	1.1
149.05954	0.4
150.03099	0.7
151.03886	1.6
152.04707	2.7
152.06018	0.4
153.05484	1.1
153.07004	0.7
153.65747	0.3
154.02676	0.4
155.08636	0.3
157.06436	1.7
160.05202	0.5
161.05952	2.0
162.03221	0.3
163.03915	1.2
165.07004	0.4
167.07037	8.3
167.08423	0.7
168.05688	0.5
169.06509	0.9
170.07181	0.5
171.08047	0.5
173.06030	0.8
174.06789	0.5
176.04671	1.2
177.05455	0.5
179.07034	0.6
181.06517	1.9
182.07274	0.4
183.08067	0.4
184.05255	1.3
185.05963	2.7
186.06508	0.3
187.03903	3.2
187.07510	0.3
188.04683	0.5
189.05467	0.4
191.07022	1.9
195.08179	0.5
197.05989	2.6
198.06755	1.8
199.07529	0.5
201.05473	5.2
202.06195	1.6
203.03375	2.0
203.07190	0.3
209.05940	2.0
210.06798	1.1
211.04001	0.3
211.07620	0.4
212.04706	4.4
213.05461	8.4
213.09077	1.4
214.05949	0.5
215.03452	0.9
215.07043	0.4
216.04140	0.5
217.04936	1.8
223.07559	0.6
225.05486	2.0
226.06271	3.6
227.07071	1.3
229.04958	6.6
230.05737	7.4
231.02771	0.4
237.05450	1.1
238.06276	0.9
239.07051	1.0
240.04216	0.5
240.07980	0.4
241.04974	4.6
241.08597	5.5
243.06512	1.1
244.03766	1.3
245.04317	1.5
251.06999	0.5
253.05020	1.2
253.08807	0.4
254.05850	1.2
255.06525	2.0
257.04431	4.4
258.05215	11.1
265.35739	0.3
268.03729	1.3
269.04504	9.5
269.08130	9.0
270.04990	0.6
270.08862	3.0
271.02747	0.6
271.06049	2.7
272.06662	0.4
273.03870	1.7
273.11194	2.3
285.03949	1.1
286.04739	30.2
286.08194	2.9
287.05054	1.3
301.07117	100.0
301.10666	18.4
302.04071	0.8
302.07315	4.1
302.10547	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1071
Annotation	3',4'-Dimethoxy-3'-hydroxy-4,5-methylenedioxystilbene
Peak:m/z	Relative Intensity
53.03937	3.2
55.01870	5.8
57.03419	1.1
57.31714	0.7
60.30980	0.8
65.03962	0.9
65.05490	0.8
66.80913	0.7
67.05487	2.5
68.99790	8.1
69.03402	0.8
69.07064	1.6
79.05489	8.4
81.03421	1.2
81.07056	8.3
83.04938	1.4
85.02894	1.1
89.03893	1.3
91.05479	16.4
93.07043	16.4
94.04179	1.9
95.04973	7.2
95.08617	1.6
96.85155	0.8
97.06506	2.8
98.20722	1.8
103.05480	15.2
105.04478	1.0
105.07024	3.0
107.04961	12.3
107.08595	2.6
109.02841	0.9
109.06519	0.7
109.10138	1.6
111.04424	1.3
115.73053	0.8
116.32735	0.8
117.03378	1.5
117.07046	1.0
119.04923	2.4
119.08588	2.8
121.06507	49.8
121.10129	1.9
122.03627	3.5
123.04412	3.4
124.05187	2.5
125.05904	1.3
128.06142	1.3
129.06993	2.2
131.04936	6.4
131.08527	1.2
133.02870	1.2
133.06468	2.1
133.10115	1.1
134.03606	4.4
135.04401	4.7
137.05980	63.4
138.03076	0.9
141.06958	2.2
142.07730	0.9
143.08583	2.0
145.06483	1.5
145.10043	1.8
147.04413	6.9
147.11668	0.9
149.05981	71.6
151.03937	1.9
151.07515	1.8
152.06187	3.6
153.05466	2.1
153.06975	4.8
157.06535	1.3
157.10086	1.1
159.04378	3.7
159.11685	1.1
160.05264	1.5
161.05981	9.8
161.09557	1.3
162.03140	2.4
163.03865	0.9
165.05629	1.3
165.07004	3.5
167.07176	1.7
167.08560	4.4
169.06491	3.0
170.07181	2.5
171.08005	2.0
177.05482	20.1
177.06972	1.8
180.05824	1.0
181.06487	8.4
182.07185	2.0
183.08116	1.0
184.05168	2.0
185.05988	2.4
185.09532	1.7
187.07629	1.8
195.08029	7.3
197.05965	8.4
198.06799	8.6
199.07472	4.3
201.09113	1.4
205.08592	2.0
208.05244	1.1
209.05946	4.7
210.06744	2.4
211.03931	1.0
211.07539	2.9
212.04550	1.0
212.08357	1.3
213.05566	1.7
213.09097	13.2
215.06857	2.0
221.05841	1.0
222.06856	0.9
223.07524	9.1
225.05435	3.3
226.06239	12.9
227.07005	5.2
228.04073	1.1
230.08974	1.0
237.05394	4.8
238.06282	1.2
239.06854	1.3
240.07730	1.4
241.08592	43.9
242.09146	1.1
243.06433	4.5
251.07037	3.4
253.04904	1.7
254.05603	2.5
255.06525	6.2
255.10355	1.3
258.08951	1.4
268.07251	1.5
269.08078	33.7
270.08698	5.7
271.05994	11.7
273.11212	70.1
274.11426	1.7
283.09686	1.8
283.20773	1.0
285.07578	1.3
286.04761	1.8
286.08017	22.5
301.03360	3.3
301.07111	6.1
301.10651	100.0
301.21793	2.3
302.11029	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0705
Annotation	Koparin
Peak:m/z	Relative Intensity
50.49482	0.5
51.77781	0.6
52.13717	0.5
52.22020	0.5
57.03423	1.6
63.30666	0.6
66.92954	0.5
68.99796	0.6
69.76196	0.9
69.76602	2.4
75.16862	0.6
81.03390	1.0
84.15265	0.5
85.02885	1.2
86.09657	0.5
91.05466	1.2
103.96165	0.6
105.03414	0.9
107.04951	1.0
115.05460	0.7
119.04893	0.8
121.02861	0.9
128.06258	1.2
129.07030	1.0
135.04402	0.9
137.02333	17.1
139.03862	0.5
140.59846	0.5
141.06952	1.8
147.04382	3.7
149.02362	1.2
150.01167	0.5
150.03114	1.8
157.06482	6.0
163.03911	0.8
167.07004	0.8
168.05690	0.6
169.06496	2.0
169.13434	0.6
171.04420	1.1
171.08057	0.7
173.05930	0.5
184.05191	1.8
185.05994	2.6
187.03867	3.3
188.04710	2.1
189.05434	4.5
193.04926	1.1
194.02007	0.9
196.05226	0.8
197.05980	6.8
198.06514	0.6
199.03911	0.8
211.07538	1.0
212.04695	2.1
213.05460	24.5
215.03442	1.6
217.04933	0.7
224.04747	0.6
225.05440	1.7
227.07008	3.0
240.04256	1.0
241.04951	21.3
241.08713	1.0
242.05328	0.8
245.08073	1.7
255.06502	3.7
257.04422	0.7
258.05231	2.0
268.03696	2.1
269.04453	20.8
269.07623	1.1
273.07614	0.9
283.06009	2.2
286.04715	8.7
301.07062	100.0
302.07391	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	301.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.01860	4.1
56.96562	25.7
57.03444	7.8
61.02929	8.7
69.03426	16.9
70.06582	6.8
71.04987	3.9
71.58176	1.6
72.08167	2.2
73.02914	6.8
73.35154	1.3
74.97616	1.6
78.03444	1.7
81.03422	6.9
84.08138	5.3
84.96032	2.4
85.02429	2.6
85.02903	33.0
86.09699	1.5
87.04457	4.0
88.59368	1.8
91.03928	1.5
95.46941	1.4
97.02892	19.5
98.03259	1.4
98.97577	12.7
99.04437	2.4
101.02374	1.4
109.02887	2.9
112.11237	2.1
114.61942	1.3
116.07133	2.3
116.98589	8.4
119.01890	4.5
121.06533	3.5
122.02359	5.3
122.06008	3.4
122.06839	3.5
127.03902	9.0
128.98631	3.4
129.13889	1.5
131.00154	2.4
131.01898	3.9
132.95772	1.6
133.03433	3.2
134.06041	1.9
134.99670	4.5
138.05392	2.3
139.02116	3.2
139.05022	100.0
140.03419	67.3
140.07005	3.5
145.01587	1.6
145.04927	3.8
146.99652	5.4
147.03110	3.1
148.03842	1.6
152.07048	2.5
154.03925	2.2
158.04958	2.8
160.06526	2.5
161.01289	3.3
161.02872	2.2
163.02762	3.2
163.04430	6.4
165.00781	1.8
172.94316	1.8
173.03018	2.7
175.02872	2.0
175.04503	2.5
176.03409	2.0
176.05931	1.7
177.00816	2.1
178.07512	2.8
181.03821	1.5
184.04948	1.8
185.04050	6.5
188.05882	2.9
189.00670	3.7
189.04260	2.9
190.95317	2.0
191.02347	2.0
191.03934	4.2
192.04773	2.4
206.07060	3.0
214.06009	2.4
219.01753	3.0
220.05899	3.2
221.05092	2.9
223.01303	1.8
224.08116	4.8
225.03351	2.7
235.06493	2.8
237.02820	5.6
250.97444	3.2
278.00650	1.5
283.13785	2.0
301.10733	16.8
301.17444	2.7
302.11871	1.8
319.15439	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	301.0706
Annotation	Koparin
Peak:m/z	Relative Intensity
53.03954	0.3
55.01879	0.6
55.05493	0.3
56.18568	0.3
67.05515	0.7
68.99783	0.4
69.03401	0.3
70.31733	0.9
76.81649	0.3
79.05482	0.8
81.03400	0.4
81.07067	0.6
84.51646	0.3
89.03914	1.1
91.05475	0.5
95.04971	0.6
98.21447	0.4
105.03401	1.5
105.07011	0.5
107.04944	1.4
109.02877	0.4
109.10149	0.5
111.04433	0.7
115.05453	0.3
116.47182	0.3
117.03410	0.4
118.04115	0.4
119.08544	0.3
123.04393	0.7
125.02452	0.4
128.06171	0.5
129.03371	1.0
129.06947	0.5
133.02834	0.3
135.04390	1.9
135.11650	0.3
139.05418	0.7
141.07037	0.3
147.04410	1.3
151.03885	0.6
156.05714	0.5
157.02858	0.8
161.02336	2.8
161.05971	0.6
163.03923	3.2
167.03412	15.9
167.04759	0.6
167.07060	1.5
168.05670	0.7
171.08047	0.8
174.06769	0.7
175.03908	1.5
175.07562	0.8
177.05443	0.5
179.03378	0.4
184.03770	0.4
184.05165	1.6
185.04329	0.4
185.05962	1.0
189.09117	0.4
193.05101	0.4
199.07579	2.1
202.06306	0.7
203.03392	0.3
203.07060	0.8
205.04915	1.0
211.07532	0.6
212.04695	3.4
213.05461	0.6
214.06320	0.4
217.08638	1.8
219.06586	0.4
227.07039	4.4
230.05632	1.5
231.06537	1.4
240.04207	3.7
241.04897	1.3
245.08095	6.6
255.06519	13.2
256.06763	0.5
258.05249	2.8
268.03696	1.0
273.03900	0.5
273.07565	0.9
283.06012	5.5
286.04715	1.3
286.07709	0.3
301.07062	100.0
302.07422	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0705
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
69.42973	0.5
70.71815	0.4
70.72130	1.2
73.84286	0.5
79.85567	0.4
88.54493	0.5
153.01840	3.0
168.83109	0.5
229.04944	3.5
241.04855	0.9
257.04520	1.2
258.05240	42.9
259.05521	1.4
269.04529	1.1
286.04706	54.3
287.05081	2.0
288.99106	0.5
301.07053	100.0
301.61697	0.5
302.07336	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	301.0706
Annotation	Koparin
Peak:m/z	Relative Intensity
55.01852	0.5
55.05514	0.5
67.05495	0.5
68.99783	1.0
70.38533	1.0
70.38940	1.2
79.05490	0.7
81.03417	0.9
81.07036	1.0
89.13789	0.6
91.05486	2.5
93.07031	0.7
95.04928	0.8
97.02924	0.6
105.07037	1.1
107.04938	0.9
107.08553	0.7
111.04423	0.6
115.05492	0.7
119.04926	2.4
119.08582	0.8
121.06471	0.7
123.04411	1.4
128.06224	1.1
129.07014	1.5
129.66113	0.4
131.08557	0.5
133.02846	0.5
133.10123	0.7
135.04437	0.5
137.02338	17.5
137.05942	1.3
139.03949	0.7
141.06953	0.7
145.06409	0.6
147.04417	1.4
149.02354	0.7
150.03116	9.6
152.06204	0.8
153.01839	2.2
153.05641	0.5
153.06989	2.0
157.06540	2.9
161.05949	0.6
163.03879	0.5
165.06970	1.2
167.07088	2.0
168.05716	1.1
169.06482	1.5
171.04437	0.5
171.07976	1.4
177.05504	0.9
181.06482	2.8
184.05222	2.0
185.05919	2.8
187.03970	1.2
189.05315	0.5
195.07999	0.6
196.05154	0.7
197.05983	4.5
198.06769	1.0
199.03932	0.5
199.07494	1.2
201.05528	2.2
209.05928	0.8
211.03938	1.2
211.07506	0.6
212.04686	9.4
213.05440	14.7
213.08966	0.9
215.03311	0.9
215.07021	0.5
223.45763	0.5
224.04668	1.3
225.05421	1.6
226.06218	1.1
227.07047	3.0
229.05002	1.3
234.85817	0.5
237.05479	1.1
240.04184	4.9
241.05003	9.0
241.08679	1.4
245.08145	2.6
252.04108	1.5
253.04962	1.3
255.06523	10.8
255.10983	2.4
255.21014	0.7
256.06989	0.6
257.04352	0.8
268.03683	1.5
269.04462	9.0
269.07709	0.8
270.14191	0.6
273.07669	0.6
283.06061	4.4
283.10559	0.6
285.03992	1.2
286.04749	12.3
286.07919	1.3
289.81296	0.5
301.07080	100.0
301.10495	6.8
301.21567	1.7
301.24936	0.8
302.07455	3.2
302.25528	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0704
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
51.57994	0.3
55.05498	0.5
56.96557	0.4
67.05500	1.1
68.99780	1.6
69.07053	1.1
69.27435	2.3
69.27856	0.9
71.04992	0.3
79.05492	1.1
81.03406	0.4
81.07044	0.7
89.03899	0.9
91.05460	1.5
93.07036	0.7
95.01295	0.3
95.04948	0.5
95.08612	0.7
97.02871	0.3
97.82150	0.3
103.05473	0.5
105.03393	0.3
105.07029	0.7
107.04947	0.6
107.08599	0.8
109.02863	0.3
109.10140	0.6
111.02718	0.4
115.05447	0.6
117.07001	0.6
119.04920	0.7
119.08570	0.6
119.20744	0.3
121.02837	0.6
121.06496	1.4
121.10151	0.4
123.00793	0.9
123.04388	0.5
124.01568	2.0
126.12811	1.2
128.06171	0.4
129.06998	1.0
131.04918	1.4
131.08559	0.3
131.97510	0.3
132.08098	1.1
133.02881	0.6
133.10080	0.4
134.03624	6.7
135.04443	0.6
137.02316	1.2
137.05952	0.9
139.03859	0.4
141.07086	0.7
145.06464	0.6
145.10149	0.4
147.04420	0.7
149.02321	1.2
149.05927	0.6
151.03925	1.2
152.01064	0.4
152.06226	0.9
153.01822	14.5
153.06982	1.4
154.02264	0.4
157.06502	1.6
158.02705	0.6
159.09151	3.5
160.07335	0.4
161.05980	0.6
163.03920	0.8
165.06999	0.8
167.08820	0.6
168.05685	0.6
169.06496	1.0
170.02103	2.3
170.07245	0.5
171.04437	0.7
174.06776	0.5
175.03885	1.0
177.05525	0.3
181.06450	1.7
183.08165	0.5
184.05205	0.7
184.11520	1.0
185.05951	1.4
187.03833	0.9
187.07542	0.5
189.05446	0.4
195.08113	0.9
197.05972	1.8
198.06789	0.9
199.03888	1.5
199.07605	0.7
201.05499	0.9
202.06262	1.2
209.06026	0.4
211.07399	0.4
212.04674	0.8
213.05495	4.8
213.09042	0.9
214.05829	0.4
215.07048	0.4
217.05054	0.5
223.07664	0.5
225.05473	0.3
226.06233	1.1
227.07054	1.5
229.04951	13.6
230.05740	5.0
232.35670	0.3
240.04303	0.5
241.04953	16.1
241.08661	1.0
242.05406	0.7
243.06544	0.4
245.04367	0.4
245.08107	1.7
255.06538	0.8
257.04465	0.7
258.05209	3.4
268.03665	0.5
269.04434	14.1
269.07208	0.5
270.04797	0.8
272.10101	0.3
273.03830	0.8
273.07520	1.0
273.10858	0.4
283.06039	1.1
283.09552	0.5
283.14392	0.4
285.03958	3.1
286.04709	22.5
287.05164	1.0
301.07077	100.0
301.10538	7.7
301.15884	3.5
302.07379	3.9
302.10654	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0705
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
54.43598	0.3
65.83871	0.3
68.99760	1.1
69.72260	1.8
69.72669	0.6
87.50123	0.3
87.67075	0.3
107.04949	0.5
113.98003	0.3
124.01561	2.5
124.07545	0.7
134.03615	2.1
134.41852	0.3
137.02339	2.8
147.04379	0.7
148.21271	0.3
152.00957	1.6
153.01834	4.0
161.02373	0.4
165.03764	0.3
167.03474	0.4
170.02060	2.1
184.05298	0.3
191.03314	0.5
201.05435	0.5
202.06294	0.5
212.04721	0.7
213.05453	1.4
217.04857	0.4
229.04961	2.6
230.05629	1.6
240.04219	0.3
241.08711	0.4
245.08133	0.4
257.04443	0.9
258.05228	19.7
259.05594	0.6
269.04407	2.6
285.03934	8.7
285.07047	0.7
286.04706	55.5
287.05115	1.9
301.07056	100.0
302.07416	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	301.0702
Annotation	Koparin
Peak:m/z	Relative Intensity
58.84696	0.3
62.04530	0.3
67.05506	0.6
68.70925	0.3
68.99787	1.3
69.94566	2.0
74.72750	0.3
79.05484	0.7
82.14513	0.3
87.78745	0.3
89.03891	1.0
91.05457	0.6
93.06996	0.3
95.01362	0.3
95.08586	0.6
98.97581	0.4
101.59209	0.3
102.04688	0.4
105.03346	0.4
105.06998	0.6
107.04929	0.9
107.08604	0.4
107.53278	0.3
111.04385	0.3
117.06971	0.4
119.08552	0.6
121.02841	0.4
121.06490	0.9
123.00765	0.9
123.04407	0.6
124.01592	1.9
128.06204	0.4
129.07007	0.9
131.04910	1.2
133.02866	0.5
133.10158	0.4
134.03621	5.5
135.04413	1.0
137.02335	0.9
137.05957	0.4
139.03888	0.7
141.07010	0.4
147.04405	0.7
149.02295	0.7
149.05914	0.6
151.03876	1.0
152.01039	0.8
153.01816	13.9
153.05368	0.3
157.06493	1.1
158.06097	0.4
161.02344	0.5
163.03862	1.7
167.03355	0.4
168.05725	0.4
169.06409	0.3
170.02083	1.8
171.04407	0.9
174.06743	0.5
175.03799	0.7
181.06422	0.5
185.05965	1.0
186.01587	0.7
187.03943	0.8
197.05972	1.3
199.03856	1.2
201.05475	0.7
202.06245	1.6
205.08542	0.4
206.00578	0.4
212.04683	0.8
213.05420	4.7
217.04935	0.4
229.04942	13.2
230.05736	4.5
241.04942	15.4
241.08606	0.6
242.05379	0.3
245.08125	1.2
255.06757	0.4
255.11223	1.0
257.04446	0.5
258.05203	8.5
268.03799	0.5
269.04453	11.5
270.04858	0.5
273.04086	0.4
273.07599	0.8
283.06027	1.9
283.09073	0.4
285.03900	2.4
286.04688	31.6
287.04984	0.9
301.07043	100.0
302.07416	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	301.0705
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
56.96561	1.0
64.14970	0.9
67.05511	1.1
68.99804	1.1
70.84429	2.7
81.07034	2.5
89.03918	1.4
91.05485	2.3
93.07024	3.1
95.04933	1.0
95.08625	1.5
103.05492	1.2
105.07010	2.8
107.08562	1.7
109.10179	1.4
116.98636	0.9
117.06995	1.7
119.08561	1.9
123.00815	1.6
123.04414	7.0
124.01579	1.5
129.06960	1.3
131.04930	2.6
131.08580	1.1
133.06488	4.0
133.10153	1.5
134.03635	6.9
135.04382	2.5
137.05997	1.2
141.07007	1.3
145.06438	1.0
145.10164	1.2
147.11633	1.4
149.02379	1.8
149.05980	1.4
150.06804	1.4
151.03833	1.5
152.01060	0.9
152.06282	1.1
153.01822	15.2
153.06944	1.7
154.02272	1.0
159.11629	1.2
161.05984	3.3
161.55112	1.0
162.06729	1.4
165.05470	5.3
165.06921	2.3
169.06459	1.3
170.02090	2.3
181.06485	1.8
195.08095	1.3
197.05954	1.0
198.06815	1.1
199.03923	1.2
202.06358	1.7
213.05460	5.5
229.04959	15.0
230.05704	3.5
241.04955	20.8
241.08675	1.0
242.05138	1.2
251.07014	3.3
258.05240	3.4
268.03622	1.0
269.04453	16.4
271.09692	1.6
283.09631	2.8
285.03937	2.7
286.04715	25.3
287.05292	1.0
301.07068	100.0
301.10489	5.9
301.21628	2.5
302.07416	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	301.0706
Annotation	Geraldol
Peak:m/z	Relative Intensity
55.01872	1.3
55.05507	0.7
56.96558	0.6
57.03418	0.9
65.03954	0.8
67.05504	2.1
68.99787	5.9
69.03423	0.8
69.07045	1.3
69.51595	3.0
69.51995	0.7
71.04988	0.6
77.03915	0.9
78.04697	0.5
79.05479	2.4
81.03412	0.8
81.07056	2.8
82.89388	0.5
83.04955	0.5
85.06584	0.4
91.05477	4.4
93.07023	3.3
95.04968	2.0
95.08595	1.1
97.06538	3.0
97.10144	0.5
103.05458	2.5
104.06266	1.0
105.03394	1.0
105.07033	6.5
106.07368	2.2
107.04961	4.1
107.08606	1.4
108.02099	0.4
109.06532	0.9
109.10159	1.2
115.05454	2.7
117.06986	1.2
118.24206	0.4
119.04948	1.6
119.08578	1.7
121.02859	0.9
121.06492	4.5
121.10153	0.9
122.03660	0.6
123.04432	1.5
124.05215	0.5
125.05964	0.5
125.09619	0.5
127.25655	0.4
128.06200	2.7
129.07028	1.7
131.04944	1.7
131.08563	1.0
132.05692	1.3
133.06496	1.6
133.10062	0.5
134.03610	0.9
135.04384	1.3
135.11650	0.7
137.02364	1.3
137.05969	6.0
139.03922	0.6
139.05400	0.6
141.07014	0.8
142.04079	0.9
143.04956	1.6
143.08548	0.7
144.05638	0.6
145.06496	1.9
145.10139	1.2
147.04387	3.6
147.11734	0.7
149.02359	1.6
149.05983	6.2
151.03903	4.1
152.06224	1.9
153.05492	0.5
153.06981	2.1
155.04890	0.9
156.05724	1.7
157.06482	2.4
157.10141	0.7
159.04431	1.2
159.08072	0.6
159.11705	1.1
160.05211	2.3
161.05957	4.2
161.09637	0.7
161.13228	0.6
162.03076	0.5
163.03943	1.7
163.11241	0.5
164.04675	1.3
165.05627	0.4
165.07021	1.8
167.03403	2.7
167.04768	0.8
167.07021	1.1
167.08563	0.6
168.05769	0.7
169.06491	2.3
170.02322	0.6
170.03653	0.7
171.04427	4.4
171.08037	0.9
172.05205	1.0
173.06030	2.6
174.06775	1.1
175.03986	0.6
177.05484	2.7
177.06799	0.6
179.03423	0.7
181.04961	0.8
181.06458	3.8
182.07288	0.6
183.04422	1.2
183.08038	0.7
184.05165	4.9
185.05957	4.1
185.09706	0.5
187.03885	4.2
187.07555	1.4
188.04680	5.2
189.05464	6.7
189.09079	0.5
190.06268	1.2
191.07137	0.5
195.04457	0.4
195.08063	1.6
197.06007	2.1
198.06790	1.8
199.03893	1.2
199.07512	0.6
200.04704	0.9
201.05522	3.3
201.09062	0.6
202.06241	3.3
203.07031	0.8
205.04950	0.8
205.08656	1.1
209.06018	0.9
211.03877	0.8
211.07327	0.7
212.04697	4.3
212.08244	0.5
213.05429	6.0
213.08914	2.0
215.03488	2.1
215.07004	1.0
216.02240	0.3
216.04161	7.8
217.04967	14.7
223.03871	0.4
223.07625	1.2
225.05466	2.1
226.06221	2.9
227.07042	1.5
228.04225	0.7
229.02794	0.7
229.04967	5.2
230.05740	2.6
231.06584	0.7
238.06316	0.5
240.04173	8.0
240.07579	0.9
241.04944	4.5
241.08553	5.3
242.05774	0.5
243.02963	1.6
243.06575	2.7
244.03624	0.6
245.04468	0.7
245.08107	1.2
253.04990	0.7
254.05852	0.5
255.06580	2.5
255.11258	1.4
256.20590	1.3
257.04501	2.5
257.20926	10.1
258.05264	7.9
259.06015	1.9
259.09613	0.7
268.03665	3.4
269.04477	9.6
269.08084	3.8
270.08890	0.5
271.05975	2.2
273.03961	4.2
273.07626	1.4
273.11139	5.9
283.06055	0.8
283.09909	0.8
283.13174	0.6
285.03949	2.6
285.06961	0.5
286.04736	10.0
286.08023	4.3
287.05368	2.3
301.07111	100.0
301.10635	17.8
301.14432	2.9
301.23666	6.8
302.07700	8.4
302.11017	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0706
Annotation	5,7,2'-Trihydroxy-6'-methoxyflavone
Peak:m/z	Relative Intensity
53.03933	0.4
55.01866	0.7
67.01868	0.6
67.05482	0.4
69.07072	0.4
70.31271	1.2
79.05484	0.7
81.03427	0.6
89.03918	1.3
91.05460	0.4
95.04974	0.7
98.21409	0.4
105.03393	2.1
107.04943	1.0
108.02022	0.3
110.62066	0.3
111.04430	0.5
115.05418	0.6
117.03395	0.7
119.04941	0.5
123.04424	1.2
125.02266	0.6
128.06250	0.4
129.03354	1.2
129.07014	0.4
133.02820	0.4
135.04460	1.5
136.09155	0.3
137.02428	0.4
139.05472	0.5
147.04445	0.9
157.02853	1.4
157.06506	0.3
161.02368	3.4
161.05946	0.6
163.03912	3.2
167.03412	16.5
167.07030	0.8
168.03821	0.4
168.05743	0.7
171.04401	0.5
171.08043	1.2
175.03912	1.3
175.07530	0.7
177.05452	0.5
184.05254	1.8
185.02248	0.4
185.06026	0.9
189.09126	0.6
195.04335	0.4
197.06070	0.5
199.07587	2.4
202.06337	0.4
203.03331	0.4
203.07045	0.8
205.04938	1.2
207.67348	0.3
211.07626	0.7
212.04695	3.7
213.05363	0.5
217.04857	0.5
217.08626	2.2
219.06406	0.4
227.07033	4.8
230.05721	1.5
231.06514	1.1
240.04182	3.8
241.04924	1.6
243.06534	0.4
245.08092	7.0
255.06532	12.5
256.06863	0.4
258.05231	3.4
268.03726	0.8
273.07513	1.0
273.11050	0.6
283.05978	5.4
286.04703	0.9
301.07062	100.0
302.07440	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	300.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15244	0.5
53.03938	0.8
55.01873	0.6
55.05502	1.4
57.03417	0.8
58.42168	0.5
62.65118	0.5
67.05485	2.3
68.99763	1.5
69.03431	0.8
69.07046	1.1
69.81844	3.7
70.06514	0.5
74.95428	0.6
79.05482	4.3
81.07051	3.0
82.66985	0.5
85.02853	0.6
86.95943	0.7
91.05469	4.0
93.07017	2.5
95.04952	2.3
95.08589	2.0
97.06506	1.8
97.10159	0.5
101.61884	0.6
103.05438	2.0
105.07027	53.9
106.07340	1.1
107.04947	1.5
107.08572	1.3
109.10145	0.9
111.20243	0.5
115.05473	1.3
117.06976	0.9
119.04921	1.3
119.08540	1.7
120.08096	1.3
121.06482	1.7
121.08772	0.7
121.10140	0.9
122.09624	2.1
123.04471	0.7
128.06219	0.9
129.07022	1.1
131.04834	0.6
131.08569	0.6
133.10124	0.7
135.04436	0.8
135.11737	0.8
136.11218	6.8
137.05966	1.2
139.03888	1.0
143.04976	0.7
145.10141	1.4
147.04411	3.6
149.06006	0.8
150.12750	2.1
152.06128	0.8
153.06969	1.7
155.04834	0.7
155.08565	0.8
159.08148	0.7
160.05222	0.7
161.05943	2.0
164.14323	1.0
165.07001	1.0
167.06989	1.5
169.06494	1.1
171.04343	1.4
172.05206	0.7
173.05984	1.1
177.05531	0.7
181.06473	1.7
184.05310	1.7
184.11243	4.3
185.05975	2.0
186.12764	0.9
187.03856	1.0
187.07446	0.7
188.04694	1.8
189.05460	3.2
196.05212	1.4
197.05878	1.5
198.06593	0.9
199.07469	0.7
200.04823	0.7
201.05392	1.4
202.06152	1.0
202.12277	2.2
202.15904	1.4
209.06023	0.8
210.06813	0.7
211.07271	1.5
212.04671	0.7
212.14378	2.6
213.05499	2.4
213.09006	1.2
214.06102	0.8
215.03372	1.2
216.04163	3.0
217.05028	4.8
223.07683	0.8
225.05478	0.8
226.06232	1.7
226.15938	4.8
227.11694	1.6
229.04900	2.1
230.05743	1.2
237.05464	0.9
239.06773	3.1
240.04149	2.4
241.04861	1.1
241.08633	2.6
242.05371	1.3
243.02783	1.1
243.06462	1.2
254.19022	1.3
255.11299	7.3
256.20596	100.0
257.04474	1.2
257.07895	0.8
257.20987	3.2
258.05252	2.3
258.22058	1.2
267.06232	1.3
268.03757	1.3
268.06747	1.3
269.04443	2.5
269.07977	2.7
270.04913	1.1
271.06039	2.3
273.03885	2.2
273.07327	0.6
283.10602	0.8
284.06473	1.5
285.04260	0.9
285.07401	6.9
286.04745	4.9
286.07645	1.1
300.06174	1.5
300.09616	11.5
300.23206	59.9
301.03659	2.0
301.07043	33.9
301.10672	7.7
301.14224	1.4
301.23730	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.09
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24091	1.7
54.43689	1.7
55.01871	42.3
55.05491	2.2
56.96556	3.5
62.95386	1.9
69.07043	2.8
70.06590	31.2
71.57585	2.7
71.57960	2.9
72.08157	4.7
73.02966	2.3
76.02221	5.8
79.86662	1.7
84.04501	3.1
84.08145	3.7
86.09706	37.9
87.99259	2.4
88.03988	3.9
89.06035	4.1
91.05457	4.4
101.82403	2.5
105.00140	2.0
107.04990	3.9
110.07123	2.2
110.47777	1.8
116.07084	30.4
119.04936	48.6
122.02719	11.0
124.03992	3.7
125.06000	6.5
130.05052	2.2
147.04410	55.1
151.03923	5.0
151.45479	2.3
153.01852	3.7
155.01595	21.6
157.13361	11.9
169.03168	15.9
169.09796	1.9
175.91885	2.6
179.07028	100.0
185.12929	2.7
200.44469	2.1
211.04271	26.9
301.07056	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	300.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08414	1.2
59.67767	1.3
67.05486	2.2
71.58529	2.5
79.05487	2.7
80.97003	1.1
82.06591	1.2
84.72083	1.1
87.70033	1.1
91.05469	4.3
95.04982	2.8
105.07069	1.2
107.04970	4.3
119.04929	1.4
123.04424	23.0
128.11766	1.5
131.04909	3.7
133.02917	2.3
134.03621	5.1
135.04427	3.0
136.07574	2.4
137.02376	1.6
137.66061	1.2
138.03084	1.4
139.03876	4.7
141.07024	1.8
145.10143	1.4
147.04407	44.4
148.05103	5.0
149.02306	1.3
151.03896	3.5
153.05421	1.4
160.05179	7.5
161.05859	1.5
162.03120	1.4
163.03874	4.6
165.06985	3.0
167.07118	2.8
167.08597	3.2
169.06512	2.7
175.03928	1.6
177.05417	6.8
177.06862	2.1
178.06259	5.4
181.06470	1.7
183.08067	1.5
184.08426	1.6
185.05960	4.0
191.08577	1.7
194.07169	2.1
195.08025	2.5
197.05975	14.4
198.06685	1.9
209.09702	1.9
210.06796	4.0
211.07486	4.4
213.05469	3.1
213.09247	1.4
214.06226	2.3
219.08070	2.7
221.05986	2.8
222.06587	1.7
223.45915	1.2
225.05406	12.2
226.06265	3.4
229.08617	1.8
237.05437	6.3
237.09064	5.3
238.06210	3.5
239.06989	11.4
241.05051	1.7
241.08594	4.4
242.05714	3.8
249.05424	2.4
251.07011	1.7
252.04276	1.4
253.04942	12.5
254.05786	11.3
254.08197	1.8
254.09450	1.3
254.11717	6.3
255.06583	4.6
257.08127	2.4
258.08603	1.6
265.04913	1.6
266.05655	6.1
267.06522	23.6
268.07230	2.0
269.04465	40.3
269.08081	30.0
270.05222	59.6
270.08228	3.0
271.05603	2.2
283.06067	8.2
283.09677	6.8
284.06769	8.5
285.07562	100.0
286.07806	3.3
299.09140	37.7
300.09879	78.0
301.07074	2.5
301.10361	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	300.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50011	1.4
54.52034	1.7
60.04528	2.2
64.70786	1.6
65.03942	1.9
70.02950	4.9
70.06588	4.5
71.31432	3.9
72.08149	5.6
73.02909	1.6
74.00670	14.0
79.05511	3.2
81.07069	2.8
84.08142	3.6
86.09682	8.8
88.03991	100.0
91.05470	4.1
93.03409	5.4
103.05452	4.5
106.04169	2.7
106.59266	1.5
107.04950	62.6
115.05518	2.3
117.03384	3.9
118.04203	3.4
119.04929	5.9
120.01167	15.8
121.06526	3.7
123.02655	7.6
130.06528	2.0
131.04915	4.6
132.05725	4.1
133.06502	3.5
135.04381	3.1
137.02342	2.8
139.03993	1.9
143.69630	1.6
145.06505	5.5
146.03627	30.9
147.04398	6.9
147.08043	1.9
149.05991	13.5
149.50893	1.7
151.02116	18.6
151.07530	4.3
158.07332	1.9
163.03915	7.9
165.03653	3.4
165.09103	2.4
173.12881	3.7
174.06767	5.8
177.05452	13.1
178.06248	62.4
179.01619	44.5
179.06992	4.4
181.03137	4.0
189.09125	7.3
193.03224	7.2
195.04530	1.9
196.01953	2.6
201.05396	1.8
211.04239	73.5
212.04759	2.3
213.05698	5.4
252.11398	4.0
283.13275	20.3
286.04776	6.0
300.09387	6.8
300.16113	11.9
301.07098	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	299.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32491	1.2
53.03936	2.3
55.05503	5.1
55.44704	1.3
59.59712	1.3
66.02273	1.5
67.05505	11.1
68.64717	1.1
68.99755	1.4
69.03407	1.3
69.07053	3.9
69.96633	6.5
79.05485	14.4
81.03399	3.8
81.07062	9.2
83.04982	3.3
83.08615	2.4
91.05482	17.5
93.07038	16.1
95.04951	5.5
95.08630	7.4
97.06527	1.8
97.10120	2.2
105.07036	12.5
107.04932	5.7
107.08569	4.7
109.06519	2.8
109.10152	2.2
115.05460	1.6
117.07034	2.0
119.04907	1.5
119.08562	8.7
121.06511	1.9
123.04475	1.4
127.03872	1.2
129.06990	3.9
131.08615	2.1
133.02832	5.0
133.10085	5.7
134.03650	3.0
135.04425	2.8
135.11668	1.9
141.06972	1.6
143.08586	3.1
145.10129	4.3
147.04410	51.2
147.11720	7.8
153.01819	1.6
155.02301	2.1
157.10089	2.1
159.11688	1.8
161.13237	2.4
165.06906	1.4
169.06505	1.8
171.08185	1.8
171.11690	6.3
173.13226	2.2
177.05496	2.0
179.12447	1.2
181.06525	3.1
183.11757	1.6
184.05133	3.1
185.06018	4.1
185.13269	1.4
187.11200	1.3
189.12749	2.8
196.05219	5.0
197.06068	2.5
199.07494	1.4
206.11002	1.4
207.13811	4.4
209.06055	1.5
210.06755	9.6
211.07536	2.6
213.05418	2.6
214.06320	1.5
221.06006	2.8
227.07060	2.1
237.05504	5.8
238.06186	16.3
239.06963	6.8
241.04945	8.5
249.05496	5.0
253.08539	1.4
255.06589	4.1
256.07346	2.2
256.20685	4.2
265.04990	2.9
266.05783	11.5
267.06464	11.6
267.09201	1.9
269.04480	12.1
281.17490	4.9
283.05960	14.2
284.06735	21.3
284.09619	1.9
285.07538	4.7
294.70978	1.6
299.09146	100.0
299.20111	6.1
300.09546	8.3
300.23199	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	299.0903
Annotation	RETUSIN 7-METHYL ETHER
Peak:m/z	Relative Intensity
51.36450	0.2
53.01719	0.2
53.67672	0.2
64.91049	0.3
68.99800	0.3
70.40026	1.1
74.49917	0.3
94.02647	0.2
96.02107	0.3
107.04963	0.3
111.04420	0.5
117.03398	0.3
119.04935	0.5
123.00779	0.7
124.01585	0.6
132.05710	3.0
133.06450	0.8
135.04378	0.8
137.05948	0.6
138.03073	0.3
139.03917	0.5
147.04407	0.3
148.05202	0.4
152.01041	0.3
152.06229	0.3
153.01851	0.3
157.06546	0.5
161.05992	0.3
167.03433	0.7
168.05753	1.7
169.01303	0.5
169.06415	0.4
171.04309	0.3
175.03902	0.3
176.04588	0.6
181.06586	0.3
182.07281	1.9
183.08069	2.0
184.03668	3.8
185.05975	1.1
196.05208	1.6
197.05942	1.5
199.07574	0.6
200.08316	0.6
208.05042	0.3
210.06718	1.3
211.07541	3.0
212.04541	0.3
213.05490	1.8
214.05968	0.3
224.04686	0.7
225.05487	1.0
225.49445	0.2
227.07039	3.0
228.07761	1.8
239.07027	4.5
241.04948	2.0
243.10178	6.0
243.12563	0.5
252.04253	0.3
255.06490	2.0
256.07309	13.9
257.07758	0.4
267.06567	2.0
269.04510	1.0
271.09647	0.3
279.85809	0.2
283.06055	2.8
284.06790	22.4
285.07159	0.7
299.09134	100.0
300.09509	3.1
324.09106	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0906
Annotation	3'-Hydroxy-4',5'-dimethoxyflavone
Peak:m/z	Relative Intensity
55.01844	0.5
55.05498	0.7
67.05504	0.8
68.99782	1.1
69.03435	0.4
69.07056	0.9
70.70844	1.3
70.71223	0.6
71.05034	0.5
81.07043	1.6
89.82372	0.4
91.05479	1.3
93.07047	0.6
95.04956	0.5
95.08582	0.9
97.06539	0.4
97.91045	0.4
101.23253	0.5
101.23899	0.4
105.03345	0.6
105.07017	0.9
107.04961	3.6
109.10185	0.7
118.04182	0.4
119.04909	0.7
119.08582	1.1
123.04431	0.8
128.06230	0.5
131.04948	0.4
132.73254	0.5
133.02866	3.0
133.10019	0.5
134.03651	2.8
135.04387	1.4
136.27557	0.4
137.02361	0.7
137.05972	0.7
146.03651	1.0
147.04405	11.7
150.03075	0.7
153.01755	0.4
153.06984	0.8
154.07713	0.4
154.16707	0.4
157.06525	0.5
157.10043	0.4
160.05193	0.9
162.03119	1.3
163.03918	0.8
165.05560	0.6
165.07007	1.3
168.05655	0.7
169.06458	0.9
175.03879	0.8
176.14801	0.4
177.05428	2.0
181.06471	3.1
182.07248	1.3
183.08022	0.4
184.05188	2.4
185.05966	3.7
187.07524	0.5
194.07086	0.4
196.05219	4.4
197.05956	2.2
199.07498	1.3
200.04721	0.6
209.05945	2.2
210.06746	10.8
211.03911	0.4
211.07523	1.8
212.04724	0.5
213.05443	4.1
214.06100	0.7
215.07120	0.4
220.05246	1.0
221.05959	5.3
225.05455	0.7
226.06271	0.5
227.07065	1.5
228.07852	0.6
237.05438	10.2
237.07813	0.6
238.06229	19.4
239.06982	3.3
241.04971	7.3
242.05717	0.6
249.05472	6.0
250.05862	0.4
253.04953	1.5
255.06474	5.3
256.07211	1.2
265.04935	5.0
266.05734	20.5
267.06497	8.6
268.06992	0.7
269.04431	9.9
270.04813	0.6
271.06015	1.8
271.18121	0.4
281.04425	0.5
283.05991	20.2
284.06769	25.1
285.07288	0.9
299.09122	100.0
300.09558	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	299.0912
Annotation	3'-Hydroxy-4',5'-dimethoxyflavone
Peak:m/z	Relative Intensity
67.05504	1.1
68.99782	0.7
69.85891	4.0
75.57717	0.7
79.05506	1.0
81.07034	1.4
86.55652	0.7
91.05473	1.4
95.08527	0.9
98.21498	0.9
107.04934	2.4
109.10137	0.8
119.08529	0.7
133.02850	2.6
134.03664	3.8
135.04411	1.5
146.03586	1.0
147.04419	12.5
160.05229	1.0
162.03195	1.1
165.06984	0.7
177.05475	1.9
178.91542	0.6
181.06532	2.9
182.07285	1.2
184.05217	1.5
185.06012	3.7
196.05200	4.6
197.05995	2.6
199.04071	0.9
199.07666	0.8
209.06018	2.5
210.06776	11.1
211.07448	1.2
213.05501	2.2
220.05115	0.8
221.05969	3.7
225.05486	0.8
227.07019	1.1
237.05496	5.4
238.06242	21.5
239.07047	3.3
241.04929	7.1
249.05421	4.1
255.06503	5.5
256.07315	1.5
265.04883	3.9
266.05746	16.8
267.06503	6.5
267.09073	1.1
269.04449	10.3
283.06024	18.8
284.06802	21.6
285.10168	1.8
299.09134	100.0
300.09418	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	299.0913
Annotation	3'-Hydroxy-4',5'-dimethoxyflavone
Peak:m/z	Relative Intensity
52.03175	0.6
55.05517	0.8
56.96561	0.7
58.42786	0.9
67.05495	0.9
68.99771	0.8
91.05466	1.5
95.08600	1.6
107.04941	3.7
123.04461	0.8
131.04979	0.7
133.02855	2.7
134.03661	1.9
135.04453	1.0
146.03598	0.9
147.04419	9.5
150.03154	1.0
151.34940	0.7
157.06430	1.0
162.03053	0.8
165.06984	0.9
168.05725	1.1
169.06464	0.7
176.04579	0.8
177.05482	1.8
181.06467	2.3
182.07230	1.5
184.05185	1.5
185.05968	4.6
193.06497	0.9
196.05255	3.7
197.05896	2.0
209.05965	1.6
210.06747	10.7
211.07529	1.8
213.05424	3.6
220.05310	0.8
221.05978	4.1
224.55870	0.6
227.07004	1.6
237.05461	6.8
238.06253	17.2
239.06990	4.1
241.04962	10.8
249.05530	5.4
253.04922	0.8
255.06493	5.2
256.07233	2.0
265.04974	5.1
266.05728	17.0
266.08398	1.3
267.06500	6.9
269.04446	12.6
283.06015	16.8
284.06769	20.1
299.09140	100.0
300.09406	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	299.0914
Annotation	2'-METHOXYFORMONETIN
Peak:m/z	Relative Intensity
53.03943	0.7
56.96569	0.2
61.06796	0.2
61.50854	0.2
62.26920	0.2
62.90483	0.2
67.01862	0.4
67.05499	0.3
68.99776	0.3
69.42289	1.8
74.46967	0.2
77.03908	0.2
79.05483	2.0
81.03426	0.3
81.07071	0.5
83.82816	0.2
85.02869	0.2
85.06515	0.2
91.05468	0.5
93.07048	0.3
95.04981	2.2
95.08612	0.6
98.20668	0.4
105.04510	0.4
105.07015	0.3
107.04956	100.0
108.05264	1.5
119.08593	0.3
125.06049	0.3
133.02797	0.2
133.10167	0.3
134.03650	0.3
135.04445	0.4
136.30272	0.2
137.02339	0.3
137.05988	0.5
147.04401	2.6
152.68225	0.2
153.01855	0.5
155.08640	0.3
165.06967	0.2
165.40578	0.2
169.05037	0.3
169.06396	0.3
175.03883	0.3
175.07568	0.2
177.05446	0.3
181.06448	0.3
185.05995	0.4
192.04169	1.4
193.04967	36.4
194.05321	0.7
196.05209	0.5
197.93523	0.2
205.04985	0.2
209.05972	0.4
210.06732	1.2
211.07489	0.4
213.05429	0.4
221.05963	0.6
236.15143	0.2
237.05319	1.0
238.06268	2.4
239.07045	0.4
241.04962	0.9
249.05545	0.5
253.05095	0.2
255.06561	0.6
265.04929	0.6
266.05695	2.6
267.06528	1.1
269.04428	1.1
271.05814	0.3
279.38107	0.3
283.06036	2.5
284.06799	2.7
299.09134	58.1
300.09521	2.1
306.95932	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	299.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42423	0.3
53.52086	0.3
54.47301	0.3
61.83997	0.3
68.99799	0.4
70.70782	1.0
93.61630	0.4
104.29746	0.4
105.07014	0.4
107.01258	0.3
107.04943	0.4
111.04443	0.3
119.04919	0.3
123.00864	0.3
125.51551	0.3
129.07062	0.3
132.05699	2.4
133.06483	0.9
135.04434	0.7
137.05975	0.7
139.03883	0.3
147.04440	0.4
153.06969	0.4
163.03970	0.4
167.03401	0.7
168.05711	1.7
169.06396	0.3
171.04445	0.4
171.08018	0.4
172.08801	0.4
175.04039	0.3
176.04579	0.3
182.07254	1.9
183.08063	2.1
184.03674	4.1
185.05965	1.0
196.05203	1.1
197.05963	1.8
200.08307	0.6
210.06787	1.1
211.07547	3.2
212.04802	0.4
213.05440	1.7
224.04794	0.4
225.05409	0.7
227.07034	3.2
228.07762	1.4
239.07025	4.7
240.07603	0.6
241.05020	2.4
243.10184	5.7
255.06575	2.4
256.07306	14.5
257.07770	0.8
267.06482	1.3
271.06335	0.3
271.09573	0.5
283.05969	2.7
284.06796	24.3
285.07092	0.6
299.09131	100.0
300.09476	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	299.0912
Annotation	Alfalone
Peak:m/z	Relative Intensity
55.05489	1.9
56.96550	1.1
63.12123	0.7
67.05490	3.0
68.99751	0.9
69.07054	1.0
79.05490	1.6
81.07047	2.7
91.05466	2.5
92.71985	0.6
93.07050	1.8
95.04953	2.3
95.08580	2.3
103.05502	0.8
105.07042	3.3
107.04950	33.4
107.08571	1.8
109.10136	0.8
116.98576	1.1
119.04991	1.0
119.08561	1.6
129.07054	0.8
133.02869	1.7
133.10097	1.3
134.03629	2.2
134.99625	1.1
135.04379	1.4
137.05931	0.9
141.07050	0.9
144.98128	1.1
147.04414	13.0
147.11668	1.8
157.10059	0.8
159.11797	1.1
160.05095	0.8
162.03191	1.3
162.99129	0.9
168.05626	1.0
171.04462	1.0
171.08051	0.8
177.05472	1.5
181.06483	2.5
182.07274	1.5
183.07985	0.9
184.05275	1.8
185.06000	3.9
190.73064	0.8
193.04979	9.4
196.05193	3.3
197.05925	2.2
199.07411	1.0
209.05989	1.6
210.06792	9.6
211.03819	0.8
211.07454	1.1
213.05408	3.4
215.06882	0.8
220.05229	0.8
221.05919	3.2
227.07043	1.5
237.05559	6.4
238.06224	16.9
239.06987	3.2
241.04941	8.7
249.05482	5.3
253.04956	1.5
255.06544	4.3
256.07275	1.8
265.04962	4.2
266.05719	14.3
267.02991	2.0
267.06476	7.5
267.09094	1.5
268.07156	0.8
269.04453	9.4
271.09634	0.9
283.06015	15.4
284.06775	21.8
285.07297	1.4
285.10101	2.8
299.09122	100.0
299.19931	2.0
300.09482	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	299.0912
Annotation	RETUSIN 7-METHYL ETHER
Peak:m/z	Relative Intensity
70.12346	2.6
78.63294	0.4
80.43793	0.6
124.01575	0.5
132.05708	2.9
135.04366	0.6
137.05968	1.0
139.03893	0.6
147.04361	0.8
154.90865	0.5
157.06535	0.6
167.03351	0.6
168.05737	1.5
171.04463	0.7
176.04655	0.5
182.07262	1.6
183.08107	2.5
184.03662	4.3
185.05937	1.2
196.05194	1.6
197.05952	1.6
199.07425	0.6
200.08385	0.8
210.06725	1.4
211.07500	2.6
212.04594	0.6
213.05479	2.3
221.86734	0.6
224.04640	0.6
227.07047	3.7
228.07834	2.0
237.05663	0.6
238.06310	1.2
238.94203	0.5
239.07018	4.3
241.05019	2.4
243.10150	6.5
252.04173	0.5
255.06471	2.8
256.07300	12.7
266.05887	0.7
267.06534	1.6
269.04514	0.8
283.06073	2.5
284.06763	24.3
285.07062	0.9
299.09122	100.0
300.09518	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	299.0913
Annotation	3'-Hydroxy-4',5'-dimethoxyflavone
Peak:m/z	Relative Intensity
52.03155	0.5
54.90939	0.3
59.08406	0.3
68.99818	0.3
70.83202	0.6
70.83575	0.6
106.04179	0.3
107.04941	0.5
108.02111	0.3
118.04162	0.7
123.04521	0.4
132.05695	0.4
134.03600	0.5
137.02350	4.7
137.05930	0.3
138.02715	0.3
148.05206	2.4
149.02414	0.4
154.02635	0.6
162.03139	2.2
163.03893	0.7
167.03387	4.2
181.06421	0.8
181.57233	0.3
182.07214	0.4
197.05972	1.4
199.07494	2.2
206.11116	0.3
209.06125	0.4
210.06738	2.2
211.07562	0.4
213.05431	1.6
214.06273	0.6
224.04634	0.4
225.05464	1.0
226.06218	0.7
227.06950	1.8
237.05441	16.2
238.06187	7.2
239.06923	0.8
240.07652	0.4
241.04915	1.9
243.10176	2.2
252.04189	0.6
253.04953	2.0
254.05733	0.6
255.06506	13.5
256.07031	0.7
265.04938	10.6
266.05722	12.6
267.06442	3.5
268.07266	0.7
269.04489	3.0
270.05136	0.7
283.05997	25.2
284.06750	6.8
299.09116	100.0
300.09445	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0913
Annotation	2'-METHOXYFORMONETIN
Peak:m/z	Relative Intensity
67.05491	0.6
69.95938	2.3
79.05485	0.9
81.07056	0.8
91.05468	1.0
91.81578	0.5
95.08611	1.2
98.97605	1.0
99.98058	0.5
105.07025	1.4
107.04961	2.7
109.10126	0.8
119.08583	1.0
131.08514	0.8
133.02843	2.1
134.03609	2.1
137.06004	1.2
137.30391	0.8
141.06964	0.7
145.10071	0.9
145.30751	0.5
146.03568	0.6
147.04402	9.0
149.85672	0.6
153.05452	0.8
153.06929	0.9
157.06435	0.9
160.05148	0.8
162.03053	0.7
165.06964	1.2
168.05682	1.8
169.06483	1.0
171.04382	0.7
176.12694	0.6
177.05458	2.0
181.06454	3.1
182.07222	1.6
183.08011	1.3
184.05182	1.7
185.05934	3.9
193.06586	0.6
196.05206	4.9
197.05942	1.4
198.06927	0.9
199.07565	0.9
209.05949	1.6
210.06758	11.2
211.07381	1.7
213.05438	4.0
214.06233	0.7
215.07037	1.2
220.05272	0.8
221.05930	3.8
225.05318	1.2
227.07014	1.3
234.91655	0.6
237.05460	7.0
238.06224	20.6
239.07047	3.4
241.04930	7.1
243.10249	1.6
249.05498	3.3
253.05009	0.9
255.06544	4.4
256.07275	3.3
265.04898	3.6
266.05725	16.0
267.06491	6.4
268.07321	0.9
269.04477	7.5
283.05988	15.7
284.06763	22.0
285.07266	0.9
297.79205	0.6
299.09131	100.0
300.09421	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	299.0912
Annotation	3'-Hydroxy-4',5'-dimethoxyflavone
Peak:m/z	Relative Intensity
56.96550	1.7
64.64484	1.0
67.05485	2.4
70.16941	3.0
70.17341	1.7
72.04501	2.1
79.05476	1.3
81.03407	1.5
81.07049	1.8
87.87263	1.2
91.05477	1.5
95.04953	1.7
95.08546	1.0
105.07034	1.3
107.04945	17.8
119.04988	1.0
121.06490	1.7
123.04428	3.9
133.02826	2.4
135.04402	1.2
137.02339	1.9
137.05960	12.0
141.06993	1.3
147.04451	1.7
148.05170	5.2
165.06950	1.1
179.03400	7.3
181.06467	2.3
183.08057	1.6
185.06145	1.5
197.05971	3.6
199.07600	5.5
209.05986	2.4
210.06749	6.0
211.07492	1.4
212.08398	1.4
213.05515	5.8
221.06210	1.1
225.05521	5.2
227.06966	3.1
228.07755	1.8
230.33931	1.0
237.05412	2.9
238.06253	18.6
240.07726	4.7
241.04958	5.5
243.10176	15.2
252.04187	2.0
253.04883	2.2
255.06522	2.2
256.07300	10.6
266.05798	2.8
267.06796	5.3
268.07254	3.0
269.04407	4.0
271.05969	2.9
271.09766	2.6
283.05865	4.6
284.06772	20.5
285.07483	1.2
299.05783	4.9
299.09122	100.0
300.09470	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	299.0549
Annotation	Glyzaglabrin
Peak:m/z	Relative Intensity
51.02367	0.4
55.01835	0.7
56.96524	0.7
57.03407	0.4
65.03908	0.4
67.05444	0.4
68.99764	0.7
69.30120	0.3
69.39695	2.7
70.53521	0.3
79.05477	0.4
81.03425	1.6
85.02839	1.0
93.07023	0.3
95.04911	0.6
98.97540	0.4
103.05456	0.3
105.03396	2.6
105.07008	0.3
107.04882	0.5
109.02850	0.4
115.05407	0.9
115.06185	0.3
116.98541	0.6
117.06916	0.5
119.59694	0.2
121.02761	0.5
121.06441	0.4
123.04358	0.5
128.06198	0.7
129.07013	1.5
132.05641	0.4
133.02861	2.5
133.06503	0.3
134.99608	0.3
135.04382	0.6
137.02335	25.3
137.05937	1.6
139.05389	0.7
141.06940	1.2
145.06430	0.9
147.04387	0.8
149.02338	0.4
155.05898	0.3
157.06488	7.4
161.05942	0.8
162.03038	0.9
163.03787	0.6
165.01825	0.4
168.05589	0.4
169.06438	1.3
171.04391	1.1
173.05931	1.1
183.08011	0.5
184.03706	0.7
185.05981	3.3
189.01840	1.6
189.50951	0.3
190.02628	1.2
193.04916	0.4
195.02914	2.8
197.05968	5.3
199.03889	3.2
200.04584	0.6
201.05452	2.9
207.02840	1.6
211.07497	0.8
213.05463	49.0
214.05759	0.7
215.07018	0.5
225.05502	1.3
227.03381	2.7
227.06998	0.9
229.04922	0.5
236.27299	0.3
239.07089	0.7
241.04944	32.5
242.05414	0.5
243.06569	1.8
243.10199	1.2
253.04941	0.4
256.07297	2.4
269.04434	11.1
270.05038	0.3
271.06024	1.3
271.09616	0.9
281.04382	0.6
283.06018	0.7
284.06802	4.8
299.05563	100.0
299.09125	18.4
300.05991	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0548
Annotation	Glyzaglabrin
Peak:m/z	Relative Intensity
50.22588	0.3
56.96553	0.5
62.15951	0.3
67.05496	0.6
68.99784	1.1
69.03413	0.6
69.07072	0.5
71.03574	0.6
76.73254	0.4
77.03938	0.6
79.05499	0.6
81.07062	0.8
91.05482	0.6
93.07021	0.8
105.03389	4.0
105.07034	0.5
107.04935	0.9
111.04430	0.6
115.05462	1.0
119.04950	0.4
121.02881	0.8
121.06483	0.7
124.01568	0.6
128.06187	1.9
129.07016	1.5
132.05690	2.5
133.02855	0.9
133.06453	0.9
135.04407	1.4
137.02344	5.4
137.05957	1.2
139.05466	1.3
141.06967	1.7
143.08495	0.6
145.06502	0.9
151.03857	0.4
152.06052	0.4
153.01826	2.8
153.06982	0.4
155.04895	1.1
157.06482	9.0
167.03409	0.7
167.04822	0.6
168.05658	1.4
169.01288	0.6
169.06480	1.2
171.04369	1.4
172.05139	0.7
173.06033	0.5
182.07242	1.5
183.08015	1.8
184.03668	3.2
184.05090	0.6
185.05991	5.3
193.05063	0.4
195.04301	0.5
196.05193	1.5
197.05966	7.4
199.02306	0.4
199.03923	2.8
200.04645	2.3
200.08302	0.7
201.05547	1.8
207.02878	0.8
210.06804	0.7
211.03961	2.9
211.07477	2.7
212.04723	0.8
213.05464	62.2
214.05846	1.3
215.07028	1.1
224.04749	0.4
225.05515	6.2
227.03419	1.3
227.07076	2.9
228.04179	2.4
228.07845	1.4
239.03365	5.9
239.06989	3.5
241.04947	35.6
242.05457	0.7
243.06548	2.6
243.10170	3.9
253.04916	3.5
255.06625	2.3
255.24403	0.4
256.07309	11.0
267.02878	2.1
267.06497	1.3
268.03647	0.5
269.04449	9.0
271.06021	5.9
281.04468	0.6
283.06009	3.2
284.03479	1.0
284.06781	18.3
299.05490	100.0
299.09113	76.4
300.05933	2.0
304.21808	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0548
Annotation	Isotrifoliol
Peak:m/z	Relative Intensity
51.18838	0.3
51.19979	0.3
54.18445	0.2
55.05499	0.4
57.27753	0.3
67.05512	0.4
69.92306	2.0
79.05464	0.3
81.07052	0.4
91.19864	0.3
91.33272	0.3
107.04952	0.4
107.08584	0.4
131.01286	0.9
132.30544	0.3
133.02824	0.3
134.03583	0.7
139.05431	1.6
141.07005	0.3
144.05830	0.3
145.02843	0.3
147.04390	1.5
149.02403	0.4
155.04866	1.5
167.04851	0.8
168.05580	0.4
171.04431	0.4
172.05171	0.9
181.06447	0.7
183.04396	1.0
184.05177	2.1
185.05968	0.7
187.03923	0.5
187.07526	1.2
195.04413	7.2
196.05093	0.5
199.04041	0.3
199.07521	0.5
200.04652	1.6
210.06819	1.3
211.03932	2.5
212.04630	2.7
213.05482	0.4
221.06102	0.4
227.03421	0.5
227.07106	1.5
228.04172	12.4
228.06432	0.6
237.05489	0.5
238.06346	2.4
239.03381	14.4
240.04044	0.8
241.04904	1.1
243.06509	3.8
249.05481	0.6
255.06589	1.4
256.03586	2.0
265.04874	0.5
266.05649	1.8
267.02869	100.0
268.03342	3.6
269.04413	1.6
271.06009	4.5
283.05923	1.8
284.03125	3.6
284.06790	2.6
285.03394	0.3
299.05469	50.4
299.09073	12.4
300.05893	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.055
Annotation	Isotrifoliol
Peak:m/z	Relative Intensity
50.09712	0.3
51.22669	0.3
52.06071	0.3
57.03356	0.5
63.85518	0.3
65.91314	0.2
67.05429	0.4
68.99716	0.4
70.06503	0.2
70.52779	1.0
72.24361	0.2
79.05377	0.4
79.47211	0.3
81.03317	0.7
85.02778	1.3
91.05393	0.5
93.06920	0.4
95.08505	0.4
103.01734	0.3
103.05341	0.3
105.06898	0.6
107.04881	0.5
109.02774	0.6
109.10052	0.4
115.05344	0.5
121.02831	1.4
121.52046	0.4
127.05354	0.3
131.01279	2.5
131.04774	0.4
132.05605	0.3
137.02356	2.3
137.05811	0.6
139.05399	1.4
144.05727	1.6
149.02255	1.2
153.06876	0.4
155.04919	1.7
157.06358	0.5
158.03426	0.3
161.05821	0.4
167.04855	0.4
171.04286	0.7
172.05194	1.6
181.06494	0.5
182.07202	0.3
183.04337	1.1
184.05112	0.7
186.03073	1.7
187.03773	0.8
187.07526	2.7
194.39948	0.3
195.02791	7.3
195.04387	3.3
197.05989	0.5
199.03836	1.0
200.04681	4.2
201.05464	0.4
211.03886	3.4
211.07214	0.3
212.04553	1.3
213.05432	0.5
225.05490	0.6
227.03450	2.4
227.07014	0.5
228.04160	23.9
229.04477	0.8
239.03380	16.2
239.07155	0.8
240.04025	0.7
241.04948	0.5
243.06522	5.5
243.10190	0.6
253.04996	0.4
255.02885	6.4
255.06544	0.5
256.03653	5.0
256.07306	1.0
267.02866	80.8
268.03400	4.0
269.04333	0.4
271.06003	7.3
284.03189	19.6
284.06696	3.3
285.03479	0.4
299.05530	100.0
299.09030	11.5
300.05884	3.5
300.09283	0.6
315.04523	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2742
Annotation	(+)-Lepadin D
Peak:m/z	Relative Intensity
55.05519	10.4
56.05038	8.1
57.07069	2.1
58.02953	2.4
60.04510	3.9
65.03910	1.6
67.05185	1.9
67.05509	25.7
68.05025	3.3
69.07067	14.6
69.99180	2.5
69.99590	6.9
79.05494	15.2
80.05042	2.3
81.07066	17.9
82.06597	8.6
83.08614	7.7
86.06052	3.3
90.82769	1.4
91.05487	9.6
91.47875	1.5
93.07050	8.9
94.06551	3.1
95.04989	2.4
95.08601	13.3
96.08097	3.0
97.10168	3.7
98.06059	1.9
105.07033	2.8
107.08601	5.2
108.08148	2.6
109.10143	6.3
119.08571	4.0
119.81334	1.5
121.10151	4.0
123.11667	1.8
133.10139	2.7
137.25729	1.6
174.36139	1.6
250.25272	6.3
262.25397	4.5
280.26367	100.0
281.26691	1.9
290.73273	1.9
292.98462	2.1
299.09210	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	299.055
Annotation	Glyzaglabrin
Peak:m/z	Relative Intensity
55.05500	0.4
67.05492	0.4
68.99786	2.4
69.07050	0.5
69.74443	2.3
70.50938	0.3
74.94122	0.3
83.08593	0.4
89.03915	2.6
91.05458	0.5
95.01281	0.8
97.10131	0.4
97.70299	0.3
98.21484	0.6
103.05462	0.8
105.03346	0.4
107.04947	0.5
108.02065	0.3
111.00813	0.9
112.82907	0.3
115.05458	1.2
116.98609	0.4
117.03374	0.6
117.07008	0.8
119.04906	0.6
123.00801	4.2
128.06219	0.6
129.07005	1.7
131.04938	4.1
132.05727	0.5
133.02855	0.4
137.06012	0.4
139.05386	0.5
141.06914	0.8
145.06462	1.3
147.04396	0.6
149.02345	1.3
153.01796	0.6
157.02826	0.8
157.06477	2.1
160.91539	0.4
163.03879	0.5
165.05478	0.5
169.06479	0.9
171.04422	1.5
173.05894	0.4
175.03917	1.4
182.07109	0.5
183.08028	0.6
184.03665	1.1
185.05991	2.6
194.19029	0.8
197.06047	1.0
199.03893	4.0
211.07541	0.7
212.04723	0.4
213.05469	9.6
220.53453	0.4
224.10304	0.3
225.05537	0.4
227.06960	0.6
228.07883	0.4
239.06992	1.0
240.04236	0.6
240.19640	0.6
241.04953	48.5
242.05270	1.2
243.06476	0.9
243.10194	1.3
255.06628	0.4
256.07300	2.7
267.06415	0.5
269.04449	37.4
270.04752	1.2
271.05927	0.5
282.20673	1.0
283.05893	0.7
284.06787	4.6
285.06738	0.4
299.05487	100.0
299.09070	22.9
299.23251	1.1
299.30539	0.8
300.05911	2.3
300.08884	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.0
55.05511	4.5
57.03427	0.7
57.07072	9.7
57.50449	0.9
59.04994	1.7
65.66835	0.8
67.05495	5.3
68.05019	2.2
69.07073	4.6
70.02946	3.2
70.06608	5.1
71.08636	9.7
72.08147	3.8
75.57324	0.7
79.05463	1.2
80.05003	2.6
80.26541	0.7
81.07060	9.3
82.06567	2.5
83.08623	1.8
84.04520	1.1
84.08159	1.0
85.10197	6.3
88.52562	0.7
91.05424	0.8
93.07017	1.0
95.08617	8.2
96.04467	1.1
96.08134	1.3
98.06049	1.7
98.09093	1.2
98.09688	13.6
108.08125	1.4
109.10176	1.0
110.09694	1.2
122.09674	2.2
126.09171	3.5
136.11203	1.7
144.10199	5.4
144.98131	0.9
155.14273	1.7
194.19075	1.1
196.16949	1.3
198.18532	1.6
234.22102	3.7
252.23232	78.2
253.23651	2.3
268.98816	1.0
284.07034	0.9
298.23776	100.0
299.09048	2.9
299.24078	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	298.274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	15.2
55.79336	1.6
56.05033	9.9
56.75102	1.4
57.07064	5.3
58.02946	2.6
60.04522	4.0
63.49522	1.6
65.27125	1.7
67.05502	27.8
68.05016	4.7
69.07071	12.8
70.37875	1.4
70.55429	6.1
71.08650	2.3
79.05492	16.2
80.05000	2.3
81.07061	19.7
82.06569	10.5
83.04996	1.7
83.08614	7.1
86.06055	3.9
91.05478	10.0
93.07034	9.3
94.06546	3.5
95.04961	2.5
95.08599	16.1
96.08089	1.7
97.10146	4.0
98.06053	2.0
100.07629	2.3
105.07017	3.8
107.08573	4.2
108.08099	1.9
109.10181	3.8
119.08584	4.0
119.62328	1.7
121.10136	4.9
122.09737	2.4
123.11670	3.2
140.10632	1.9
200.78696	1.8
249.76190	1.7
250.25366	10.1
262.25366	6.6
280.26343	100.0
299.09161	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	297.2424
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
55.05495	20.2
57.07068	10.4
62.06079	8.8
64.78145	5.4
67.05503	34.3
69.07057	18.1
71.08635	100.0
71.58794	8.4
73.59229	5.4
79.05477	23.6
81.07064	58.8
83.08618	13.2
85.06543	7.3
91.05473	25.7
93.07063	26.9
95.08604	42.9
97.06516	6.5
99.08092	81.6
105.07032	19.0
107.08592	18.0
109.10145	12.3
111.22023	5.2
119.08591	11.3
121.10133	12.9
122.10522	5.5
123.11736	6.1
127.11193	6.9
133.10081	5.9
135.11671	12.5
144.90125	5.8
145.10144	9.4
147.11694	59.9
153.12701	10.8
159.11693	7.9
163.11169	9.5
163.14806	16.8
165.12646	11.1
177.58192	5.4
223.28516	5.7
223.30711	5.8
234.43044	5.3
235.10721	8.9
236.07896	11.2
243.21040	14.1
251.10201	20.7
261.22128	16.7
266.12646	29.6
272.03763	6.8
279.23215	36.0
280.23557	5.7
296.97357	5.9
297.25186	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	298.0967
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
53.50121	0.3
53.98045	0.2
54.15836	0.2
57.26161	0.2
61.01151	5.1
66.01121	0.2
69.03425	0.3
70.11497	1.3
72.33591	0.3
75.02699	2.6
81.86906	0.2
93.52929	0.3
94.04044	0.4
97.02868	1.2
103.02145	0.4
104.13139	0.3
119.03533	0.8
136.06184	100.0
137.04616	0.5
137.05710	0.3
137.06613	0.5
145.03189	1.1
163.04230	1.1
163.05489	0.2
166.12247	0.3
171.51880	0.2
174.79590	0.3
220.35577	0.3
298.09735	1.9
316.96365	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1145
Annotation	2'-O-Methylguanosine
Peak:m/z	Relative Intensity
51.15714	0.8
55.05491	1.1
56.04302	0.9
56.96564	2.2
57.80743	0.9
59.04977	1.2
61.01141	1.3
65.50198	0.9
66.16946	1.0
69.03434	6.3
69.07050	1.6
70.06587	3.0
71.04990	1.6
71.57475	1.9
72.08152	1.1
75.04520	1.1
81.03419	2.7
84.08112	1.3
85.02925	5.2
87.04463	1.0
91.05454	1.0
95.06121	1.6
97.02888	4.2
97.03455	0.9
98.97585	1.7
101.06007	2.6
106.22886	1.1
107.04979	1.5
110.03492	2.4
115.03956	1.0
116.98582	1.2
121.06525	0.9
128.04573	2.4
134.06104	1.4
135.03059	2.6
136.06184	25.1
143.23399	1.0
147.04401	3.2
152.05675	100.0
153.01845	2.5
153.04063	14.7
154.02180	1.9
166.07262	11.4
167.05667	1.4
177.05850	1.5
193.10878	4.2
207.07962	1.4
235.07545	1.9
239.11409	5.7
252.10262	1.1
266.05786	1.1
284.06662	1.1
298.17593	2.1
299.06113	1.4
299.09082	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	297.2422
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
53.03951	6.2
55.01867	8.7
55.05510	66.2
57.03437	8.7
57.07060	10.9
65.20348	4.7
67.05507	100.0
69.03447	8.0
69.07056	54.0
70.84908	11.5
71.08617	8.2
79.05496	35.6
81.07061	90.1
83.04984	6.3
83.08627	36.5
85.06548	6.0
91.05475	13.1
93.07037	45.8
95.08607	56.3
97.06545	13.6
97.10190	41.6
99.08076	7.3
104.69289	4.3
105.07044	12.1
107.08599	39.5
109.10149	48.5
117.07000	5.8
121.10143	11.2
123.08069	7.1
123.11710	14.8
125.09609	31.2
131.08534	5.6
133.10159	9.0
135.08037	5.7
135.11659	26.5
137.13234	10.9
147.11731	8.9
149.09564	5.1
149.13307	6.1
153.12723	11.6
159.11685	5.6
165.55115	5.1
173.11885	5.6
173.13275	6.5
189.11263	19.1
234.09572	4.9
235.10692	6.8
236.07915	9.6
243.21075	7.6
251.10260	10.4
261.22150	19.8
266.12576	24.8
276.45941	5.1
279.23239	48.7
290.01981	5.2
297.16882	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	297.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46598	0.3
56.05019	1.1
57.99705	0.3
62.29358	0.3
62.55222	0.4
65.03937	0.5
69.03423	0.7
70.82391	0.5
70.82729	0.6
78.52135	0.4
81.03426	2.5
84.04498	19.7
91.05473	16.6
95.04951	4.2
102.05544	0.8
109.02898	0.4
119.04933	15.8
120.08093	1.5
121.08419	0.6
123.08041	0.4
125.95651	0.3
130.04997	7.0
136.05208	2.2
136.06125	0.6
137.05975	2.0
151.07532	100.0
152.07870	1.2
153.01819	3.9
168.08904	0.6
168.10208	8.0
172.94006	0.4
197.45506	0.3
234.11252	4.6
251.13857	1.4
257.91809	0.3
280.11777	10.2
297.06134	1.2
297.14426	5.7
299.06110	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.6
55.00377	1.0
55.01855	1.2
55.05518	3.3
56.05024	1.2
57.03432	1.5
58.04086	11.1
60.05658	1.8
67.05500	7.4
68.05029	11.7
69.03437	12.2
69.07072	6.4
69.45975	9.0
70.06591	1.1
71.08649	1.8
72.04515	7.8
72.05628	1.9
74.05661	1.8
74.06080	39.4
76.05125	4.9
79.01856	6.3
79.05498	4.2
80.05015	5.6
81.03416	67.6
81.07040	6.1
82.03751	1.3
82.06576	3.1
85.02921	1.4
91.05465	1.9
93.05782	2.3
93.07040	4.3
94.06561	7.5
95.04976	2.0
95.08591	5.4
96.04491	16.4
97.02876	7.3
98.20742	1.5
99.04443	2.7
99.05561	1.6
106.06562	2.5
107.01344	2.2
107.04965	2.6
107.08596	1.5
108.08117	14.8
109.02877	22.2
109.10130	3.0
110.06024	5.3
115.05466	1.3
116.08212	96.7
118.05011	5.0
119.08579	1.9
120.08110	2.4
121.06496	1.6
122.09685	2.6
123.04440	3.5
124.07619	1.5
125.02361	5.4
127.03876	6.4
131.04961	1.6
131.30363	1.1
134.99629	1.3
135.11676	1.6
136.06189	2.3
136.11240	2.2
137.05975	2.7
138.12788	21.0
143.03391	9.5
147.04417	3.4
150.12791	4.4
151.03709	1.1
152.14351	5.1
153.01823	100.0
154.02173	2.7
154.12355	1.3
159.08102	1.3
160.07166	11.5
161.06010	1.9
163.07468	1.1
164.14363	1.9
165.07056	1.4
166.12282	59.0
166.15924	1.4
171.02902	4.5
176.14362	4.4
178.15912	22.5
178.17334	2.1
182.11758	1.2
183.39574	1.1
194.07210	1.8
194.15416	14.4
196.16930	1.5
210.11247	2.8
211.18062	2.3
222.14929	2.6
235.10706	2.5
236.07932	2.8
237.09119	3.4
238.14420	11.0
251.10243	3.7
253.20213	9.7
265.08615	3.8
266.12585	5.4
283.03146	1.5
297.06006	30.4
297.10953	5.3
297.19296	12.1
298.06366	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02141	1.7
53.03942	6.6
55.01872	2.3
56.05009	2.3
56.96558	2.4
57.03415	2.4
61.02924	3.8
67.05505	4.2
68.99778	2.5
69.03432	17.7
69.07047	2.9
70.97672	3.9
71.04967	3.4
73.02908	2.8
73.04755	2.1
79.01852	7.2
81.03419	64.1
81.07034	3.6
85.02897	3.4
91.05444	5.2
93.07030	4.5
95.04971	5.6
95.08598	1.8
97.02887	11.9
99.04437	3.8
103.03941	4.4
103.05461	4.4
105.03406	2.2
107.01325	3.3
107.04962	7.2
109.02882	18.5
110.07058	2.2
111.04412	2.1
115.05471	3.9
116.98563	2.4
119.04939	6.6
121.06489	8.6
123.04414	18.1
125.02359	6.4
127.03927	6.8
131.04961	2.5
133.07700	3.2
135.04405	2.8
136.06200	5.6
137.05962	2.3
140.04684	6.1
143.03401	12.8
145.06537	3.0
145.07634	7.2
146.03638	8.6
147.04430	14.8
149.06036	4.4
151.03911	1.9
151.07533	4.5
153.01825	100.0
153.05531	2.3
159.04501	2.1
161.06062	2.9
161.81610	1.7
162.99135	4.1
163.03871	4.4
163.08653	24.4
164.04562	4.3
167.07008	3.1
171.02827	4.3
174.03122	2.9
177.05466	10.2
179.07034	2.2
180.04185	3.2
183.06535	46.3
189.05435	2.2
192.04205	9.9
195.06480	1.9
205.04942	5.7
207.02895	5.1
207.06503	33.4
209.08069	4.8
222.05212	7.8
233.08014	3.4
235.05946	4.3
236.08006	3.1
237.07664	7.2
249.07501	3.0
251.10326	7.3
257.21707	2.0
261.07629	6.1
265.12460	2.1
266.12576	11.6
266.99899	4.4
279.08661	5.6
283.03043	3.9
297.06104	25.1
297.09460	3.7
297.10797	2.5
297.14450	35.4
299.06232	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	297.0756
Annotation	Coumestrol dimethyl ether
Peak:m/z	Relative Intensity
53.00319	0.3
60.55278	0.3
62.00954	0.3
69.07054	0.3
69.73542	1.1
69.73969	1.0
79.05477	0.4
79.13653	0.3
81.07038	0.5
83.48273	0.3
93.07008	0.4
95.08604	0.7
98.97591	0.5
105.07034	0.5
118.04136	0.9
119.87946	0.4
121.10173	0.4
133.06491	1.3
134.99669	0.4
135.04373	1.7
136.01509	0.5
137.02348	1.3
140.06209	0.5
152.06168	0.8
153.01828	0.4
153.06944	0.7
164.00993	0.4
165.01797	0.9
168.05731	3.6
175.03949	0.4
181.06421	0.7
182.02098	9.4
183.08047	6.4
188.86905	0.3
196.05205	3.2
198.06708	0.8
211.07513	6.0
220.08356	0.3
224.04652	0.8
225.05432	6.4
226.06158	1.2
235.10641	0.5
236.07964	0.5
239.03366	0.4
239.07034	3.6
241.08560	7.8
251.10118	0.7
253.04955	2.2
254.05698	6.0
265.04974	2.8
266.12607	1.6
269.08017	0.3
281.04434	6.4
282.05231	6.0
292.98483	0.5
296.25687	0.7
297.07556	100.0
297.25833	0.9
298.07889	2.1
299.06329	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14138	0.6
53.03944	1.4
57.03428	0.5
63.34678	0.5
66.00106	0.5
69.07082	0.6
71.19115	1.0
79.05486	1.9
81.03419	3.1
85.64613	0.5
87.00832	1.1
91.05467	1.5
95.04979	1.5
95.08622	0.7
95.73450	0.5
99.04496	0.9
105.01856	1.5
105.07028	10.5
107.04952	100.0
108.05259	1.5
109.02882	1.2
110.07140	0.6
117.82928	0.6
119.08571	1.2
127.03852	0.8
130.87260	0.6
131.04919	1.6
132.05725	0.7
133.06488	77.4
134.06844	1.8
136.06235	1.0
143.03368	0.6
145.06483	0.7
147.08069	7.0
147.09166	0.6
153.01833	5.3
157.06560	0.7
171.03052	0.6
173.93004	0.5
175.07518	10.5
175.08818	0.9
182.07965	0.5
193.08638	3.3
194.02705	1.1
235.07700	0.7
239.42717	0.6
265.08655	1.3
266.12637	1.0
297.06067	0.6
297.11154	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.6
51.02375	1.0
53.03945	7.5
63.80093	0.5
69.03432	11.1
71.02668	1.3
71.04983	1.7
77.99371	0.6
78.86240	0.6
79.01856	5.9
81.03414	59.8
85.02905	1.1
89.27198	0.4
91.05434	0.6
91.70568	0.5
92.12270	0.5
97.02889	5.7
99.03915	0.5
99.04457	3.2
107.01292	3.1
109.02127	1.1
109.02874	20.2
125.02341	4.8
127.03916	6.2
133.06433	0.6
136.07574	1.3
143.03398	10.2
153.01823	100.0
153.02812	3.8
154.02153	1.5
159.04375	0.8
163.03825	0.7
171.02882	3.5
177.05260	0.7
181.01306	0.6
185.79359	0.6
191.03427	0.9
205.04956	1.0
233.04437	0.7
237.03784	0.6
265.05377	0.5
297.06039	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0756
Annotation	Milleyanaflavone
Peak:m/z	Relative Intensity
57.07064	0.4
67.05515	1.5
69.07066	0.9
71.08615	0.4
71.59609	0.5
79.05492	0.7
81.03417	0.8
81.07063	1.7
91.05462	0.7
93.07069	0.9
95.08617	1.2
97.06557	0.4
105.07065	0.6
107.04942	3.1
107.08631	0.6
109.10166	0.7
123.04405	0.5
125.09669	0.5
129.07129	0.4
133.02869	1.8
134.38753	0.4
135.04430	1.8
147.04402	5.2
151.37601	0.5
153.01819	0.7
163.03947	0.6
165.06953	0.5
168.05714	0.5
171.04387	0.5
175.03903	6.1
183.08116	0.4
188.04726	1.3
193.06332	0.4
196.05219	1.8
197.05988	1.2
201.09268	0.5
211.07607	0.8
211.57915	0.4
221.06024	0.8
224.04649	0.5
226.91948	0.4
239.07072	1.1
251.10175	1.0
252.04227	0.4
253.04897	3.8
254.05797	1.7
255.14400	1.2
266.12527	2.5
267.06778	0.5
281.04443	91.2
282.05209	45.2
282.82556	0.5
283.05560	0.9
297.07562	100.0
298.07861	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	297.0394
Annotation	Medicagol
Peak:m/z	Relative Intensity
55.05502	0.7
56.96566	0.4
57.07072	0.9
67.05489	1.2
69.07050	1.8
69.55785	3.2
79.05486	1.2
81.03370	0.6
81.07052	1.9
83.08620	0.7
91.05490	0.8
93.07037	1.0
95.04977	0.5
95.08595	1.8
97.06522	1.3
97.10172	0.6
98.97556	0.7
105.07045	1.3
107.08584	0.6
109.10145	0.7
116.98614	0.6
119.08617	0.7
121.02837	0.7
121.10149	0.9
128.06247	0.6
129.64005	0.4
131.01306	3.4
133.10143	0.9
135.08018	0.8
139.05431	3.2
141.07037	0.7
145.06509	0.6
149.02341	0.8
149.09683	0.5
155.04936	2.8
157.06567	0.6
159.08032	1.1
167.04926	1.2
170.57549	0.4
171.04398	0.5
183.04462	1.2
185.05988	6.7
191.76129	0.5
195.04411	7.5
199.03954	0.9
201.09270	0.6
211.03929	5.6
213.05524	0.7
216.57625	0.5
235.10701	1.7
236.07899	1.2
239.03381	50.6
240.03648	1.9
241.04980	9.3
251.10149	1.3
266.12524	3.4
267.02884	47.8
268.03177	2.2
269.04440	14.1
274.97424	0.6
281.04443	1.0
285.03946	0.4
297.03940	100.0
298.04276	4.3
299.06381	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31819	2.3
53.03938	4.5
55.01874	13.8
55.05513	24.7
56.05036	12.9
56.85910	2.7
57.07066	11.9
58.02959	5.1
60.04522	22.0
64.62529	2.7
65.03927	5.1
67.05502	94.4
68.05032	4.9
68.05820	2.9
69.07070	22.5
69.47649	14.9
69.48055	6.1
70.07392	4.4
71.08604	7.0
79.05499	40.6
80.05007	20.1
80.05806	4.5
81.03407	6.0
81.07053	65.3
82.06580	32.9
82.07368	3.8
83.04958	5.0
83.08609	12.5
86.06071	22.6
86.72336	2.3
90.25492	2.4
91.05479	24.8
93.07043	34.5
94.06570	10.6
94.07356	4.0
95.04943	7.1
95.08609	41.2
96.08141	2.7
96.08932	5.1
97.06526	4.7
97.10173	2.9
100.07595	3.2
105.04761	2.4
105.07040	14.5
107.08611	21.9
108.08099	3.1
109.10184	21.7
110.06026	7.6
110.10373	2.8
111.08086	5.5
112.07581	9.4
112.08343	5.1
117.07018	9.2
119.08585	11.7
120.08057	5.6
121.10139	24.1
123.11692	9.0
129.07040	3.3
131.00665	3.7
131.08563	8.0
133.10068	7.0
134.09650	3.5
135.08034	3.4
135.11719	7.1
143.00716	3.1
145.10104	7.3
147.11687	3.9
166.13091	3.2
173.13266	2.9
179.08528	3.7
191.08521	4.6
199.06934	6.8
207.07988	4.6
218.07088	3.8
219.08083	7.0
221.09497	3.1
233.09732	3.7
234.10368	26.1
235.07520	18.1
236.08142	4.5
237.09245	3.2
248.23746	5.9
250.09930	40.1
251.10056	4.3
260.21027	3.5
260.23682	7.2
265.12216	81.1
266.12567	5.5
278.21872	14.1
278.24741	100.0
279.25244	3.3
296.13196	3.1
296.16446	13.0
296.22787	7.4
296.25882	20.3
297.07401	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	296.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09411	2.1
53.03944	3.4
55.05507	17.1
56.05024	7.1
56.05827	3.2
57.03425	6.8
57.07062	8.4
58.02951	5.6
62.98076	1.9
65.03935	6.6
65.64644	2.0
67.04242	2.5
67.05503	35.7
68.05017	2.6
68.05839	4.9
69.03418	4.3
69.07060	20.0
70.06584	2.8
71.04982	9.4
71.08628	3.5
72.05313	3.7
78.62160	2.2
79.05060	3.2
79.05491	38.9
80.05003	6.7
80.05814	5.5
81.07056	29.6
82.06583	29.0
82.07378	10.1
83.04966	2.4
83.08600	6.2
86.06050	2.3
91.05477	34.0
92.05806	4.9
93.07040	34.6
94.06543	8.6
94.07368	9.2
95.04951	9.7
95.08614	22.3
96.08097	3.3
96.08941	7.8
97.06510	3.0
97.10181	4.3
98.06034	2.9
99.08047	2.5
105.07036	20.9
106.07324	3.5
107.04964	4.8
107.07355	3.3
107.08588	16.3
108.08138	4.4
108.08923	6.7
109.06552	2.1
109.10145	8.3
110.10490	3.1
117.06998	9.1
119.08570	12.0
120.08075	5.0
120.08896	3.7
121.10110	13.0
122.09657	3.4
122.10472	8.6
123.11670	2.8
131.08563	8.4
132.08054	4.0
133.06422	4.0
133.10117	7.9
134.09619	3.6
134.10518	2.9
135.11699	5.5
136.12001	3.7
136.51549	2.3
145.10086	4.5
146.09520	3.1
147.11696	2.8
148.11119	4.2
149.02277	3.3
159.11559	2.5
162.13620	2.3
173.13165	2.7
174.13564	5.7
175.14656	2.3
179.08507	2.9
191.08572	3.6
199.06929	3.1
203.08519	3.1
206.16185	2.6
207.08017	2.8
219.08090	6.0
221.05984	3.8
233.09566	5.2
234.10396	23.4
235.07512	21.6
235.10989	3.4
236.08113	2.7
239.03664	2.6
242.19908	2.7
246.22107	3.4
248.23712	14.1
250.09920	33.5
251.10271	2.5
260.21039	4.4
260.23724	7.5
265.12231	60.9
266.12531	4.5
278.21976	15.3
278.24762	100.0
279.25006	3.9
281.04459	15.5
282.05325	6.2
296.16345	12.0
296.22906	5.4
296.25873	10.4
297.07599	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	296.2009
Annotation	Spirasine IX
Peak:m/z	Relative Intensity
51.02378	0.7
53.03944	2.9
57.26200	0.5
69.07084	0.5
69.71343	3.0
69.71775	0.7
77.03943	0.6
91.05479	13.0
93.07041	20.6
95.04977	5.7
101.28310	0.5
103.04798	1.0
103.05466	15.5
105.04547	0.7
118.06531	5.5
121.06500	100.0
122.06819	1.6
132.08102	1.9
133.08832	1.5
134.09656	0.5
146.09616	1.5
176.14345	73.1
177.14638	1.2
179.84819	0.5
235.07556	0.6
250.09695	0.7
265.12256	1.5
296.20081	84.5
297.20322	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	296.222
Annotation	Stemaphylline N-oxide
Peak:m/z	Relative Intensity
50.19537	1.0
50.30231	0.8
55.05496	3.3
57.07069	8.4
65.22648	0.9
67.05489	4.0
69.07051	1.2
70.06590	10.3
71.03950	1.9
71.08624	9.6
79.05483	1.7
80.04997	2.0
81.07043	6.1
85.10165	4.6
93.07015	1.1
94.06540	0.9
95.08614	6.2
96.08131	12.2
99.28346	0.9
106.06568	4.4
106.07171	0.8
114.09139	3.1
120.08076	1.7
124.07578	4.5
138.09120	1.1
141.02246	1.0
142.08623	43.5
146.41962	1.0
155.14278	1.6
174.76813	0.9
232.20618	2.0
234.10394	1.1
235.07475	1.0
250.09808	1.7
250.21677	30.3
256.82855	1.0
265.12170	5.1
296.22195	100.0
297.22479	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	296.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60079	2.6
52.34669	2.6
54.67412	2.4
66.05336	2.3
69.28662	30.6
91.60238	2.6
98.21500	5.6
179.08557	5.6
191.08554	3.2
194.98779	2.5
207.07999	6.3
218.07245	4.8
219.08139	13.2
221.05977	4.0
221.09570	3.7
233.09683	3.9
234.10393	25.1
235.07553	28.1
235.10979	2.9
236.08337	4.5
250.09869	41.9
265.12213	100.0
266.12653	3.4
296.13416	4.1
296.16290	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	296.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12735	1.1
56.25829	1.3
60.08157	4.8
66.81496	1.1
70.72060	4.1
71.07381	2.4
86.09703	20.2
86.10184	2.1
104.10742	100.0
115.56909	1.2
128.18420	1.1
129.76646	1.1
141.53394	1.1
151.21518	1.2
159.15027	1.2
181.89488	1.3
192.62054	1.5
236.99245	24.6
243.09003	1.1
296.06604	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	296.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.2
57.03431	0.7
63.02382	0.3
67.26050	0.3
69.03430	0.3
69.07068	0.9
69.93624	1.6
70.06580	0.2
79.05483	1.4
81.03400	0.4
85.02903	1.0
88.03979	1.4
88.07629	2.1
89.03909	8.4
91.05489	0.4
94.06572	1.0
95.04993	0.5
95.06885	0.4
98.06049	0.3
98.21386	0.5
103.03297	0.5
103.03941	6.1
107.04976	2.4
109.02849	0.3
116.07050	0.7
117.02525	0.5
117.03378	10.2
134.08127	43.5
135.04417	24.9
135.05252	0.3
135.08505	0.5
136.04773	0.4
145.02844	17.4
146.05983	0.9
147.06354	1.9
150.07765	0.8
151.08054	0.8
153.01889	0.5
163.03902	100.0
164.04245	2.2
174.05466	0.3
175.04352	0.4
175.05841	0.8
177.05469	1.1
177.70792	0.3
186.05411	0.3
199.06949	0.5
207.08095	0.4
234.10298	0.8
235.07486	1.1
250.09898	2.0
265.12241	3.4
277.65558	0.3
296.11276	1.7
296.16281	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.1
55.01862	6.5
55.05510	37.6
56.96558	10.0
57.07076	31.7
59.04990	8.2
67.05165	4.0
67.05502	43.4
69.03428	9.5
69.07066	100.0
69.56091	10.5
69.56506	6.6
70.07412	2.8
71.04982	9.1
71.08632	12.2
79.05496	14.9
81.03417	2.5
81.07057	90.3
83.08614	57.0
85.02897	3.7
85.06533	6.0
86.70058	2.2
88.03996	13.5
91.05468	10.3
93.07037	28.7
94.06579	18.2
95.04956	5.1
95.08601	76.1
97.02881	3.3
97.06538	9.8
97.10143	13.8
98.21572	2.2
98.97584	8.5
99.04462	2.5
99.08092	6.5
103.05458	3.3
105.07026	18.9
107.01324	2.1
107.04948	4.2
107.08597	27.1
109.06522	5.2
109.10156	86.9
111.08111	12.6
111.11723	6.8
115.17414	2.0
116.98649	11.4
119.08583	10.9
120.04454	3.8
121.06541	4.7
121.10139	21.9
123.04437	33.8
123.11714	36.1
125.09642	2.9
127.11187	13.6
130.59456	2.0
131.08575	2.1
133.06499	10.6
133.10094	11.9
134.99677	7.6
135.11678	17.3
136.31062	2.2
137.05988	2.9
137.09631	4.0
137.13258	18.8
139.07520	3.3
139.11200	7.7
139.36726	2.1
146.06023	29.8
147.04309	2.5
147.11684	8.8
149.13235	13.2
151.11232	4.4
151.14807	2.9
152.04691	3.6
153.12758	4.6
156.02983	2.2
161.01299	5.1
161.05959	2.5
161.13243	4.9
163.07516	3.1
163.14803	7.9
165.12759	6.9
167.07013	13.3
170.99635	3.8
171.29172	2.1
174.04045	5.2
174.05536	10.4
175.14882	3.4
176.14255	2.6
177.14777	3.5
177.16379	5.4
179.17943	2.6
181.53738	2.7
183.17549	3.7
189.16341	3.3
191.17967	4.3
195.17435	2.5
201.00797	3.0
202.03455	4.8
203.18002	5.9
207.08058	3.7
209.17226	2.6
209.19016	26.3
218.07114	2.3
219.01816	4.6
219.21095	8.9
221.19044	4.7
234.10391	4.5
235.07654	6.0
237.02782	5.9
237.22154	2.8
249.25893	2.7
250.09949	3.5
252.06580	2.6
259.24310	19.3
263.07343	4.0
265.12277	15.3
277.25201	23.5
295.06039	3.1
295.09442	5.1
295.13449	2.3
295.20959	7.6
295.26364	25.0
296.16473	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80824	1.2
53.03939	4.3
55.01870	2.6
55.05513	16.2
56.96561	5.6
57.03434	3.2
57.07077	8.5
59.05005	2.7
62.74003	1.2
63.77092	1.1
65.03949	1.4
67.05505	21.7
69.03442	6.8
69.07070	100.0
70.02968	1.6
70.04543	5.3
70.04963	2.5
70.07404	2.9
71.04988	4.5
71.08626	4.0
79.05494	11.1
81.03432	3.3
81.07057	44.1
83.08614	15.6
85.02896	3.0
85.06535	4.4
85.10182	2.3
87.04463	1.6
88.03996	15.5
91.05479	8.5
93.07043	15.6
94.06565	12.3
95.04980	5.6
95.08610	30.2
97.02943	1.8
97.06538	5.3
97.10175	5.5
98.97569	2.7
99.00883	1.8
99.08083	3.2
103.05459	2.8
104.03513	1.9
105.07045	9.9
107.04944	2.7
107.08577	11.9
109.06477	2.4
109.10155	33.5
110.97569	1.4
111.08076	2.9
111.11720	24.2
113.05998	2.0
116.98637	3.9
118.06551	1.4
119.08604	4.8
120.04455	2.4
121.06502	3.8
121.10122	14.4
123.04436	7.5
123.08025	2.3
123.11724	14.2
125.09627	2.9
127.11227	3.0
129.12787	1.6
131.04930	2.3
131.08540	1.4
132.04501	2.0
133.06476	4.2
133.10117	5.3
134.99666	4.4
135.04399	1.4
135.08110	3.0
135.11710	4.9
137.09567	2.3
137.13239	5.6
139.11182	13.1
145.10168	1.3
146.06017	26.9
146.99648	1.7
147.04420	1.7
147.06361	1.6
147.08066	2.1
147.11679	3.8
148.46927	1.4
149.05957	2.3
149.13257	5.4
151.14958	1.5
153.12758	1.9
156.02957	2.5
161.01184	1.7
161.03401	1.4
161.09656	1.8
161.13324	1.6
163.03879	2.6
163.07570	2.2
163.14856	2.7
164.68379	1.4
165.07001	1.4
167.07103	2.2
167.10681	2.0
174.04068	2.9
174.05518	11.6
177.14771	1.6
178.06166	1.4
179.08516	1.8
179.17960	1.4
198.07559	1.8
199.06964	1.6
199.99883	1.9
202.03471	2.5
205.04832	1.5
207.07996	3.4
219.07957	2.0
220.54420	1.5
221.09575	1.8
234.10347	6.0
235.07590	9.6
236.08365	1.9
237.02847	2.4
250.09932	8.6
252.07913	1.5
259.24289	3.0
263.07098	2.6
265.12241	20.0
271.04852	1.8
277.21954	2.5
277.25290	7.9
295.09662	5.0
295.20981	4.7
295.26337	19.0
296.16034	2.8
296.18939	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2631
Annotation	Sterculic acid
Peak:m/z	Relative Intensity
55.01857	2.3
55.05510	31.7
56.96556	4.9
57.03436	2.6
57.07076	21.7
59.04988	9.8
61.86477	2.0
65.03918	2.4
67.05505	34.9
69.03413	4.7
69.07068	76.8
71.04987	8.7
71.08635	14.1
71.17645	2.1
71.58945	2.1
79.05491	13.2
81.07054	100.0
83.04972	2.2
83.08618	41.4
85.06551	6.0
85.95568	2.0
87.04484	2.6
88.03977	9.3
91.05468	8.7
93.07047	19.5
94.06559	11.9
95.04980	5.4
95.08607	69.6
97.06510	6.4
97.10159	11.3
98.97540	3.5
99.08098	2.9
104.03445	3.1
105.07031	15.8
107.04944	3.3
107.08588	26.8
109.10152	70.9
111.08072	6.5
111.11704	8.3
116.98602	3.9
119.08564	10.2
120.04424	2.8
120.59560	2.4
121.10155	19.3
123.04408	12.7
123.08019	3.4
123.11713	46.0
125.09621	4.6
127.11197	10.0
133.06474	5.4
133.10118	7.9
135.11671	14.6
137.09596	4.7
137.13243	17.7
139.11168	8.6
146.06001	21.0
147.04419	2.6
147.11679	7.6
149.13242	9.4
151.11177	4.1
153.12767	3.6
161.05980	3.0
161.13213	3.6
163.14787	5.3
165.12756	3.3
167.07033	4.8
174.03981	4.0
174.05489	8.1
175.14839	3.7
191.17987	5.2
203.17990	3.2
209.19025	21.6
219.21066	4.9
221.18900	2.2
234.10461	2.6
235.07510	7.4
237.02899	3.3
250.09845	5.5
259.24121	10.0
265.12247	9.8
277.25253	16.8
295.09454	2.4
295.20901	2.8
295.26373	19.2
296.16400	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	9-HOTrE
Peak:m/z	Relative Intensity
53.03943	7.6
55.01873	92.4
55.05511	49.2
57.03431	3.2
57.07066	12.6
62.69110	2.9
67.05502	64.5
69.03437	3.6
69.07066	36.1
71.04990	5.7
71.08623	30.3
71.41612	6.3
79.05487	43.1
81.03415	11.5
81.07056	67.7
83.04971	19.3
83.08619	28.6
85.06536	3.7
85.10177	16.2
86.09731	3.1
91.05475	40.1
93.07037	49.8
93.51926	2.7
95.04971	22.5
95.08611	42.2
97.06518	28.3
97.10172	11.8
99.08080	16.3
105.07024	36.0
107.04967	7.2
107.08591	28.5
109.06533	12.4
109.10149	19.8
111.08073	82.9
113.09638	13.0
117.07004	6.0
119.08569	19.1
121.09452	2.7
121.10139	20.9
123.08082	5.1
123.11677	4.4
129.07024	7.3
131.08582	6.0
133.10127	36.0
135.11710	13.8
137.09604	4.5
137.13338	3.1
139.11180	4.5
143.08571	5.4
145.10092	9.4
147.11694	24.5
149.09621	13.8
149.13266	10.4
151.11183	27.8
153.12761	3.3
157.10106	5.1
161.09647	3.8
161.13287	10.3
163.11211	10.3
165.12750	34.7
171.11719	3.9
175.14838	4.4
179.14365	10.4
207.13878	5.1
213.16124	3.7
221.15456	4.7
231.21065	3.2
234.10352	5.7
235.07536	6.2
241.19553	10.6
246.46761	2.8
249.22240	8.5
250.09900	5.2
259.20596	18.2
265.12219	16.1
277.21616	100.0
295.15332	3.0
295.22635	65.8
296.16504	4.8
306.62622	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	295.2267
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
53.03961	7.4
55.01859	16.6
55.05511	63.9
57.03436	10.2
57.07073	12.5
58.00208	4.8
58.79652	4.6
67.05175	6.8
67.05508	100.0
69.07063	52.0
71.04047	7.2
71.04401	8.0
71.04977	10.3
71.08620	20.2
79.05490	63.5
81.03408	18.2
81.07055	90.4
83.04965	20.8
83.08614	29.3
85.06542	6.1
85.10214	4.4
91.05484	40.3
93.07043	71.5
95.01295	4.5
95.04974	31.1
95.08601	54.4
97.06538	13.6
97.10149	26.0
99.08070	21.4
100.79217	5.2
104.77521	5.3
105.07020	39.4
107.04977	5.3
107.08595	42.4
109.06509	14.1
109.10148	34.7
111.08096	5.0
117.07017	8.5
119.08578	22.7
121.10142	21.6
123.11784	4.7
125.09674	11.5
131.08534	8.1
133.10136	19.2
135.08075	5.1
135.11705	20.0
137.09605	10.3
139.11125	21.9
143.90930	4.3
145.10045	4.7
147.11719	14.6
149.13193	11.6
151.11195	20.7
151.94994	4.2
161.13271	13.0
163.11205	9.9
165.12697	11.1
169.09894	4.9
171.11676	6.8
175.14845	5.3
179.14313	6.0
185.13271	5.5
241.19640	6.4
249.22180	8.7
259.20535	6.1
265.12183	7.9
277.21625	79.7
295.22607	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	295.2267
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
55.01867	15.4
55.05511	53.3
57.07058	12.8
60.51243	6.9
67.05505	100.0
69.03414	10.0
69.07066	51.5
70.12189	37.6
71.05023	8.0
71.08626	32.7
73.22543	8.0
79.05499	58.6
81.03403	22.6
81.07048	83.5
83.04989	20.4
83.08624	22.5
84.99435	6.7
91.05469	44.5
93.07051	66.4
95.04967	26.2
95.08624	58.7
97.06516	15.9
97.10160	19.8
99.08108	31.4
105.07053	35.7
107.08586	35.5
109.06470	9.3
109.10161	37.4
111.08065	9.4
117.07026	10.3
119.08585	27.1
121.10171	21.5
123.08039	9.4
123.11704	7.5
125.09594	16.3
131.08571	11.5
133.10146	15.7
134.59296	6.9
135.11691	24.9
136.83426	7.0
147.11676	21.5
149.13284	10.9
151.11179	29.9
161.13232	12.0
163.11140	12.7
165.12849	10.7
173.13165	12.1
175.14859	9.3
179.14270	13.2
185.13234	9.6
186.20970	7.0
222.14589	8.4
234.10442	12.6
235.07423	12.9
250.09943	13.2
259.20621	8.8
265.12286	29.8
277.21613	95.9
295.22641	38.5
299.23004	8.2
304.95810	8.2
307.25717	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	295.2268
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
52.00726	4.6
53.03925	5.2
55.01869	47.0
55.05512	53.7
57.07067	12.5
67.05504	85.0
69.03423	6.1
69.07061	35.0
70.08904	23.9
71.04977	5.3
71.08617	17.8
79.02785	4.3
79.05489	60.0
81.03408	7.7
81.07060	100.0
83.04983	22.2
83.08617	29.0
85.06547	6.5
85.10171	5.8
89.89497	4.7
91.05476	40.8
93.07042	57.8
95.04965	24.9
95.08608	56.4
97.06518	14.6
97.10175	15.4
98.20877	6.9
99.08087	19.4
105.07038	28.5
107.04879	5.6
107.08578	25.9
107.45378	4.8
109.06523	9.1
109.10153	25.5
111.08077	40.8
113.09629	7.2
117.07065	7.9
118.99242	5.5
119.08595	14.3
121.10148	23.6
123.08045	8.0
123.11710	14.1
125.09630	13.7
129.07074	5.1
131.08554	6.9
133.06500	6.8
133.10159	32.8
135.11674	24.9
139.11127	8.0
147.11679	16.1
149.09561	6.4
149.13242	21.4
151.11200	16.9
157.10056	6.5
157.12912	5.6
161.13239	13.9
165.12749	14.3
175.11234	5.4
175.14842	8.1
177.12672	5.7
179.14340	7.5
185.13260	6.8
193.12212	6.5
234.10387	5.9
252.33026	4.7
259.20587	11.0
277.21616	76.4
295.22723	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	295.2266
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03931	6.9
55.01854	7.3
55.05509	53.4
57.03412	12.0
57.07069	28.7
65.03929	4.8
67.05502	100.0
69.03408	7.7
69.07065	81.9
69.95155	21.1
70.07391	10.7
70.23218	4.8
71.04976	11.3
71.08628	28.0
79.05489	61.6
81.03393	17.7
81.07048	95.3
82.75568	4.2
83.04977	23.5
83.08605	22.6
85.06504	5.8
91.05466	36.9
93.07033	67.1
95.04939	24.4
95.08597	48.5
97.06519	15.1
97.10145	13.5
98.20849	7.8
99.08087	14.7
105.07028	36.9
107.04939	5.4
107.08568	34.3
109.06524	9.7
109.10149	32.4
111.08081	11.0
113.09671	6.2
117.06993	10.1
119.08591	22.1
121.10167	21.9
123.08066	8.1
123.11703	9.5
125.09623	13.8
129.06993	6.2
133.06516	5.7
133.10110	14.7
133.26859	3.5
135.11690	19.5
137.09592	9.1
139.11157	7.2
142.01288	5.0
143.00665	4.8
147.11679	20.0
149.13216	11.3
151.11168	26.3
161.13239	16.4
163.11185	5.3
165.12729	11.4
171.11691	7.0
173.13290	5.4
173.48763	4.2
175.14742	6.6
179.14323	9.2
185.13284	5.0
189.12804	4.2
193.12271	6.9
197.07324	7.9
198.07639	12.6
199.06985	21.4
200.69658	3.9
235.07430	4.4
241.19469	6.2
250.09895	7.6
254.41823	4.4
259.20551	8.2
265.12213	19.0
277.21619	62.2
295.22549	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
53.03937	8.6
55.01871	51.4
55.05510	59.1
57.03424	5.3
57.07064	14.0
67.05501	83.2
67.12351	2.6
69.03423	5.1
69.07064	52.1
69.85880	8.6
69.86290	9.5
71.04973	10.8
71.08630	22.8
79.05486	60.4
81.03419	12.2
81.07054	100.0
83.04987	23.8
83.08619	36.2
85.06535	8.2
85.10190	5.0
89.13927	2.9
91.05473	54.3
93.07041	73.0
95.04973	26.3
95.08606	58.7
97.06522	15.9
97.10183	14.0
99.08100	14.6
104.81214	3.1
105.07021	34.3
107.04959	4.9
107.08595	35.1
109.06503	12.6
109.10153	27.6
111.08075	51.7
111.11697	5.5
113.09655	7.4
117.07032	8.9
119.08598	22.5
121.06467	5.3
121.10156	27.9
123.08087	5.5
123.11716	10.7
125.09652	12.6
129.06978	7.1
131.08595	8.0
133.10152	32.5
133.77019	3.2
135.08089	4.1
135.11696	19.1
137.09639	8.5
139.11157	13.1
142.08696	4.3
143.08569	7.7
145.10129	5.1
147.11691	23.0
149.09639	7.1
149.13243	19.1
151.11201	18.3
157.10156	5.3
159.11707	9.0
161.13281	10.0
163.11249	5.8
165.12753	24.2
171.11635	6.0
172.12567	2.9
175.11189	4.3
175.14871	8.0
177.12747	2.9
179.14310	6.8
185.13345	3.7
189.11243	4.7
193.12292	4.0
193.15947	3.0
221.15477	4.3
231.21103	4.9
234.10307	4.8
235.07590	6.9
241.19498	4.0
249.22075	7.1
250.09909	7.5
259.20621	9.7
265.12216	22.1
277.21603	89.6
295.05948	3.4
295.22668	60.6
296.22318	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	295.2266
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03942	30.3
55.01859	19.0
55.05510	60.1
57.07076	16.6
60.31126	8.9
67.05505	81.7
69.07065	75.5
70.68029	19.1
70.68401	16.9
71.08609	9.6
79.05494	67.5
81.03416	92.3
81.07046	88.5
83.04983	19.9
83.08615	25.3
84.25752	8.9
91.05475	32.7
93.07046	53.7
95.04951	75.2
95.08610	43.3
97.10157	17.8
105.07016	46.0
107.08581	41.9
109.06503	17.2
109.10200	15.1
117.07037	13.4
119.08583	24.3
121.10149	23.6
123.08102	10.4
123.83758	8.4
131.08554	12.6
133.06459	9.3
133.10143	15.5
147.11668	18.1
149.13214	21.2
151.11185	44.7
161.13181	15.0
165.12753	8.4
171.11778	12.2
177.80618	8.3
179.14481	9.3
189.09038	10.2
191.08577	10.6
202.23145	10.6
231.21059	12.0
234.10396	21.2
235.07588	17.0
239.71495	8.8
241.19542	11.1
249.21974	11.3
250.09995	33.3
259.20657	12.9
265.12277	72.0
277.21573	100.0
295.22418	13.8
296.16446	11.0
312.14844	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	295.2267
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03938	8.0
55.01854	7.2
55.05507	49.7
55.73040	2.5
57.07066	7.6
61.23824	2.6
67.05504	100.0
68.21616	2.5
69.03422	4.5
69.07066	35.3
70.05200	13.8
71.04994	4.5
71.08627	10.7
74.15159	2.8
79.05492	42.1
81.03419	28.9
81.07054	49.0
83.04971	11.1
83.08611	26.1
85.06535	3.3
87.55971	2.5
91.05479	26.4
93.07046	43.5
95.04976	21.8
95.08603	25.0
97.06490	6.4
97.10173	33.7
99.08079	10.6
101.21287	2.7
103.29356	3.0
105.07052	19.6
107.04943	3.5
107.08592	37.4
109.06523	6.4
109.10152	32.5
111.08029	3.8
117.07037	5.4
117.62746	2.9
119.08549	12.8
121.10146	15.8
122.03673	3.6
123.11691	6.7
125.09625	31.4
129.06982	4.4
131.08598	5.2
131.54785	3.0
133.10118	12.3
135.08054	6.1
135.11678	12.9
137.05997	28.7
138.06296	24.6
143.08575	4.0
143.10690	3.6
145.10158	3.3
147.11678	11.8
149.13222	12.7
151.11179	19.1
153.09171	3.0
161.13257	10.8
163.11237	3.4
163.14810	3.2
165.12776	4.7
171.11691	3.8
175.14803	5.1
179.14290	2.9
185.13263	4.5
189.11208	21.0
189.12663	3.8
195.13736	3.1
221.15356	4.1
231.21146	4.3
235.07526	4.5
241.19514	7.2
249.21988	3.4
250.09923	3.3
259.20578	10.1
265.12283	9.8
277.21640	74.5
279.36523	2.7
295.22421	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	295.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07064	32.4
70.22297	81.2
70.62411	22.0
93.24510	22.3
96.33112	21.6
96.83183	20.4
99.20757	23.4
137.69995	24.6
147.88979	29.3
184.52702	21.5
213.46146	26.3
232.37308	24.5
235.07396	23.9
244.06409	24.9
250.09856	23.8
261.08017	24.9
265.12262	100.0
271.65805	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	295.2265
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
53.03946	6.6
53.24350	4.3
55.01868	39.1
55.05510	41.3
55.89608	4.6
57.03439	5.7
57.07066	9.5
62.11389	4.3
67.05503	69.6
69.03436	6.6
69.07067	37.1
70.20550	25.6
71.05002	6.7
71.08622	20.8
79.05489	52.8
81.03403	25.3
81.07049	73.9
83.04969	19.7
83.08623	36.2
85.10181	9.0
91.05483	36.5
93.07035	53.0
95.04965	22.8
95.08598	46.9
97.06507	25.3
97.10162	18.7
99.08085	19.5
105.07012	34.2
107.08590	32.9
109.06521	6.3
109.10162	20.3
111.08073	41.4
113.09644	10.6
115.33276	4.4
117.07007	8.0
119.08564	20.1
121.10139	22.8
123.08047	7.3
123.11712	6.7
125.09615	11.3
131.08566	7.9
133.10139	22.9
135.11670	17.1
137.09627	9.4
139.11194	6.2
145.10139	9.6
147.11642	25.3
149.09576	14.9
149.13278	11.0
151.11171	28.7
153.08984	6.6
157.10095	7.8
161.13228	9.8
163.11150	12.7
165.12753	23.0
171.11665	9.0
173.01550	4.3
175.14737	8.2
179.14345	8.7
185.13203	5.8
191.25351	5.3
199.14688	5.6
221.15038	5.1
249.22198	10.1
259.20511	12.8
277.21622	100.0
279.55771	5.1
295.22687	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	295.2267
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
55.05506	31.6
67.05511	65.4
69.07047	14.8
71.08624	31.4
79.05477	46.7
81.03413	14.9
81.07045	48.1
83.04962	11.6
83.08624	10.9
89.80229	11.2
89.97087	10.3
91.05486	24.0
93.07048	63.7
95.08602	38.7
99.08085	33.0
105.07011	12.4
107.08594	37.8
109.10172	16.1
119.08550	25.6
121.10173	26.5
135.11708	40.8
149.13208	10.2
151.11180	12.1
179.14362	100.0
251.96877	12.7
277.21561	33.7
302.75977	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	295.2266
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03934	31.0
55.05500	36.3
57.07080	21.6
66.52517	9.7
67.05495	76.2
69.07070	50.3
70.84045	17.8
70.84415	19.3
76.15439	9.5
78.29673	8.1
79.05482	31.2
81.03408	100.0
81.07059	72.4
83.05003	14.2
83.08604	13.5
91.05516	13.7
93.07027	48.5
95.04960	43.6
95.08609	21.1
97.10179	12.5
105.07042	34.1
107.08602	30.6
109.10140	17.6
109.85485	8.9
119.08574	24.8
125.55437	9.0
133.10089	16.2
135.11761	14.7
141.93118	11.2
147.11667	17.3
151.11168	79.9
153.94225	9.1
161.13222	14.1
163.14787	10.7
164.16617	8.8
175.14757	12.0
277.21628	91.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1329
Annotation	CHEBI:70702
Peak:m/z	Relative Intensity
53.03945	1.4
55.01877	1.5
55.05500	1.5
56.96578	0.8
57.03421	0.8
67.05486	2.5
69.07075	3.4
71.58099	1.1
71.58459	0.9
77.03928	1.1
79.05502	5.8
79.05881	1.0
81.07047	3.1
84.08133	0.8
91.05470	7.5
93.07043	2.7
95.04952	3.3
95.08594	2.5
103.05468	46.5
105.07036	23.2
107.04973	8.0
108.05750	1.5
109.06516	2.1
109.10166	0.9
115.05425	3.9
117.07020	4.2
119.04916	1.2
119.08569	1.9
120.05695	2.1
120.08096	1.3
121.06505	15.5
122.03626	0.7
123.08041	4.0
123.11671	0.8
127.88582	0.7
128.06248	1.6
129.06978	0.9
131.04930	41.9
132.05482	0.9
133.06491	71.0
134.06827	1.0
135.08051	35.0
136.05194	1.9
136.08495	0.8
137.05971	14.2
141.07010	0.8
143.08490	0.8
144.05705	0.7
145.06480	23.2
146.05969	0.8
147.04417	1.1
147.08040	7.6
149.05983	6.2
151.07541	21.3
151.09409	0.9
155.06105	1.4
157.06483	5.7
159.08073	1.4
160.05208	1.6
161.05960	0.7
162.06725	0.9
163.07542	100.0
164.07927	2.1
171.08055	2.3
172.05032	0.8
173.11986	0.8
174.06625	0.8
175.07542	4.2
178.07689	0.9
180.47260	0.8
181.06291	0.9
187.07558	2.8
188.08356	1.0
189.09258	0.8
195.08044	1.0
202.07788	2.4
203.08516	0.9
206.06897	0.9
207.08076	1.6
217.10057	1.8
219.07994	1.9
220.08824	3.2
231.08186	1.0
233.09743	0.8
234.07051	0.9
235.07538	2.1
235.11180	7.0
245.09601	2.9
247.07608	1.2
248.08362	1.8
249.09181	0.8
250.10027	1.7
263.10635	9.4
263.63431	0.7
264.11316	1.2
265.12268	2.1
280.10931	1.7
295.09918	1.9
295.13232	20.7
295.16556	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1651
Annotation	Tyr Leu
Peak:m/z	Relative Intensity
52.44377	0.3
56.05026	0.4
57.36265	0.4
65.03953	0.5
69.07059	0.9
71.14683	0.8
71.66496	0.3
74.02425	0.5
82.53623	0.3
84.04505	2.2
84.08134	0.9
85.13885	0.3
86.09702	5.7
88.03996	2.8
91.05477	24.3
93.07075	0.5
94.06557	2.2
97.02888	0.4
98.83135	0.4
103.05458	0.5
104.03475	0.8
107.04956	1.3
109.06490	0.6
118.06555	1.1
119.04935	15.9
120.04458	0.7
120.08097	7.0
121.06508	3.0
123.04412	0.7
124.04833	0.4
130.08588	0.7
132.10211	2.0
133.06485	0.3
136.07571	100.0
137.07927	1.1
146.06003	7.0
147.04401	0.8
166.08600	2.7
174.04037	0.7
174.05511	2.1
188.49815	0.3
191.06972	0.4
199.06886	0.4
202.03508	0.4
231.13913	0.3
232.13345	0.5
235.07527	0.4
236.12735	0.3
249.15965	1.1
250.14561	0.4
278.10300	0.4
278.13824	0.8
295.16434	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1288
Annotation	Phenylalanylglutamate
Peak:m/z	Relative Intensity
50.87891	0.4
51.70238	0.4
56.05028	2.3
57.07069	0.4
58.58839	0.3
62.66290	0.3
65.03934	0.5
69.03421	0.6
69.07062	1.3
70.02937	1.3
70.06604	0.5
70.77813	0.3
70.90963	0.3
70.98323	0.7
74.02430	1.0
79.05473	1.4
82.06586	0.5
84.04501	29.3
85.02905	0.9
87.37817	0.3
88.03990	9.9
91.05482	1.3
93.07038	1.5
94.06564	9.2
99.00822	0.9
100.07633	0.8
102.05550	0.6
103.05461	8.5
104.03481	2.4
104.04999	0.8
105.07063	0.6
107.04958	3.2
109.06544	0.4
115.03919	0.4
115.07569	0.4
116.98615	0.5
118.06550	1.0
119.04965	0.8
119.61782	0.4
120.04490	1.9
120.08101	100.0
121.08438	1.6
123.06669	0.4
128.04967	0.4
130.04977	5.5
131.04910	4.9
132.04428	2.0
135.04375	0.4
136.07561	1.6
146.06004	21.8
149.05981	2.0
150.07742	13.3
151.07564	0.4
156.02919	1.0
163.03934	1.8
164.07143	0.5
166.08632	36.0
167.08899	0.9
174.03989	3.2
174.05531	7.9
175.07558	0.6
177.05431	0.7
181.04977	0.4
185.10686	0.4
186.09146	7.9
192.06554	1.5
198.07593	0.6
202.03452	2.4
221.95261	0.4
232.09666	4.8
235.07529	0.6
249.12415	0.4
250.09839	0.5
259.11655	0.4
265.12311	1.1
277.08517	0.5
277.11877	0.7
278.10233	4.3
295.12906	3.2
295.16428	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1329
Annotation	CHEBI:70702
Peak:m/z	Relative Intensity
51.02382	0.6
53.03924	0.9
55.01856	2.0
55.40012	0.7
57.03413	0.6
57.07055	0.8
67.05479	1.6
69.03424	1.0
69.07052	2.2
70.02939	0.9
70.50011	1.9
70.50362	0.8
71.04986	0.7
77.03925	0.9
79.05481	6.4
81.07044	1.9
83.04954	0.9
84.08150	0.6
86.09693	1.1
88.03973	2.8
91.05479	8.5
93.07029	2.0
94.06573	3.1
95.04963	3.1
95.08609	1.0
96.08109	1.8
97.06491	0.7
99.04446	0.8
103.05461	47.4
104.03477	1.6
105.07026	20.2
107.04954	5.6
107.08591	1.3
108.05735	1.1
109.06504	1.7
109.10216	1.0
111.04420	0.7
115.05423	3.2
117.07018	4.0
119.04917	1.7
119.08572	1.5
120.05721	1.7
120.08109	1.4
121.06502	15.2
122.03610	1.0
123.04369	1.2
123.08035	3.3
124.07595	8.8
125.09662	1.0
129.07025	1.0
131.04924	39.4
132.05737	1.2
133.06490	70.2
134.06845	0.8
135.04410	0.7
135.08046	34.1
136.05193	1.5
136.07542	1.0
137.05966	14.1
143.08635	1.0
145.06482	22.9
146.06020	6.3
147.04419	1.5
147.08049	6.8
149.06003	4.6
151.07542	19.4
155.06067	1.0
157.06480	4.8
159.08057	0.9
160.05171	1.3
161.05847	0.8
162.06677	0.7
163.03859	1.7
163.07538	100.0
164.07991	1.0
165.06958	0.7
171.08041	2.3
173.06006	1.0
174.04053	1.2
174.05539	2.9
175.07518	6.4
187.07523	3.0
194.07234	0.8
202.03622	0.8
202.07755	1.9
207.08034	1.7
217.10129	1.1
219.08131	1.1
220.08893	3.2
221.09445	0.8
225.09132	0.8
231.08028	0.7
233.09666	1.2
234.53583	0.6
235.07523	1.4
235.11151	5.2
237.09058	0.8
245.09636	2.1
247.07600	1.0
248.08354	2.4
250.09929	1.3
260.12781	0.8
261.09137	0.7
263.10724	9.5
263.13577	1.0
264.11353	0.8
265.12247	2.3
265.42734	0.6
267.10446	0.8
277.08014	0.7
295.13269	18.1
295.16364	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.3
61.01143	0.2
65.03952	1.0
65.91923	0.2
67.05516	0.4
69.07073	0.9
69.26092	1.4
69.26524	0.9
72.04520	0.6
78.03795	0.9
79.05473	0.3
81.07056	0.9
88.04014	1.0
91.05479	9.8
94.06584	1.1
95.08601	0.8
98.21496	0.5
102.03767	1.6
104.03471	0.3
107.04956	0.3
107.08570	0.4
109.10159	0.3
114.03744	0.6
119.04942	24.8
120.04514	0.4
120.05292	0.3
121.10074	0.3
123.11680	0.4
131.06371	0.5
132.04860	1.0
146.06015	2.4
147.04407	100.0
148.04718	2.1
149.07440	5.9
151.07547	0.2
174.04106	0.4
174.05450	0.9
175.05469	0.3
197.08168	0.6
210.85640	0.2
218.08125	6.7
236.15091	0.2
236.90962	0.2
285.89343	0.2
292.87219	0.2
295.11139	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1287
Annotation	gamma-GLU-PHE
Peak:m/z	Relative Intensity
55.04085	0.5
56.05021	1.6
70.74886	1.4
79.05484	0.9
84.04501	29.8
91.57482	0.5
102.05541	0.6
103.05464	6.8
105.77918	0.4
107.04973	2.2
112.77229	0.4
120.08102	100.0
121.08446	1.8
130.05006	5.5
131.04913	4.1
132.13213	0.5
149.05975	2.4
150.07765	1.7
166.08638	39.9
181.87199	0.5
186.09152	7.1
232.09688	5.9
274.18265	0.4
278.10199	5.0
278.12552	0.5
295.12903	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05011	6.3
56.48524	5.3
56.96568	11.1
57.03451	8.6
61.02925	9.6
69.03432	24.6
70.40412	27.3
72.04498	7.1
73.02917	18.0
76.05133	14.8
77.00891	5.6
81.03414	14.5
84.08152	11.2
85.02902	45.6
86.09705	20.5
97.02885	11.4
98.97580	21.5
101.00893	7.6
103.05472	5.7
104.10786	6.9
109.02890	20.7
116.98650	13.9
119.01931	29.2
120.02049	7.2
120.08102	100.0
121.01643	10.4
127.03905	8.3
128.98624	6.4
133.03491	8.0
134.99738	9.3
137.02988	6.5
143.01903	9.5
148.06068	10.3
153.01822	9.4
154.08667	9.5
157.03490	10.8
161.03023	14.9
163.02698	14.7
173.02908	9.0
175.04488	8.4
177.09804	17.7
185.03029	9.5
199.06183	7.2
201.06036	7.2
211.01106	7.1
212.01176	6.4
245.05305	7.7
253.02003	6.5
253.04555	10.7
275.06064	10.4
277.07730	14.8
286.49921	6.4
295.03012	7.9
295.08817	35.5
295.12366	9.2
313.06979	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	294.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.3
55.01852	0.4
55.05487	0.4
57.07072	1.7
64.53307	0.3
66.04692	0.4
67.05484	1.1
69.07061	1.4
71.08628	1.5
71.10945	0.6
71.11287	0.4
78.23286	0.4
79.05480	1.0
81.07043	1.4
88.07571	0.4
91.05466	1.0
92.72127	0.3
94.04179	2.6
95.08613	0.4
103.45267	0.3
107.04922	0.3
107.08595	0.5
109.06467	0.6
110.82046	0.4
116.90226	0.3
121.10033	0.4
122.03634	6.3
133.10092	0.3
137.05969	100.0
138.06317	1.1
141.00978	0.4
141.12738	2.4
158.15385	1.0
197.07275	0.7
221.15559	0.3
234.35088	0.4
276.20380	0.8
277.21631	0.7
294.21097	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0811
Annotation	Vittarilide B
Peak:m/z	Relative Intensity
54.90798	1.0
55.01870	1.7
55.05490	1.2
57.03426	2.4
57.07066	1.5
66.40675	1.1
69.03424	1.4
69.07063	3.1
70.60696	3.3
73.02905	4.0
79.05500	1.3
84.04508	5.6
85.02910	2.9
86.09698	1.7
88.03976	1.6
89.03908	3.1
91.05473	2.2
94.06560	1.6
95.04958	1.7
95.08581	1.5
97.02805	1.3
98.97566	1.3
103.03943	9.1
103.05486	3.2
105.07001	1.8
107.04952	1.8
109.10178	1.5
115.05461	4.1
115.07578	1.0
117.03360	3.3
119.04898	1.6
120.08107	15.9
123.04409	1.6
130.04973	1.1
131.04919	2.9
135.04413	25.7
141.06944	1.1
143.04918	3.5
145.02849	3.1
146.06044	4.8
147.04366	7.4
149.02489	1.0
149.05943	1.3
150.07741	4.5
157.06474	1.5
158.71674	1.0
161.05959	6.9
163.03897	100.0
164.04318	1.5
165.05544	1.1
166.08652	4.4
171.04457	1.7
173.06018	1.6
175.03922	6.8
177.05475	4.7
179.03433	2.6
181.04939	1.3
189.05452	7.0
193.04956	37.6
203.07030	1.4
205.04950	4.1
213.05504	2.9
217.04857	5.6
231.06528	2.0
249.07697	1.5
259.06100	2.3
295.08087	9.2
295.13016	1.4
302.40619	1.2
317.50571	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2836
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
55.01862	1.2
55.05507	7.0
56.96535	1.5
57.03439	1.4
57.07075	74.2
67.05508	10.1
69.07069	15.3
69.95095	5.7
71.04985	1.0
71.08632	100.0
79.05487	6.6
81.07059	20.9
83.08619	5.8
85.06535	1.6
85.10174	1.2
91.05471	4.2
93.07059	7.3
95.04961	2.9
95.08070	1.7
95.08620	16.0
97.06517	2.7
97.10148	2.7
99.08091	1.5
105.07019	3.7
105.89806	0.9
107.04942	1.9
107.08603	9.2
107.33591	1.0
108.98657	1.0
109.06506	2.2
109.10171	6.4
111.08061	1.6
111.11714	2.1
113.13276	10.3
119.08580	2.4
121.10124	2.8
123.11698	15.3
124.05347	1.0
125.09692	1.1
129.07010	1.1
133.10080	2.0
135.08083	1.3
135.11653	2.0
137.13249	3.7
139.23810	1.0
141.12694	7.3
141.13683	1.1
145.10136	1.4
147.11687	1.4
149.13245	1.8
151.14807	1.0
163.11182	1.5
163.14771	2.6
167.14360	1.2
197.07266	1.5
243.25172	1.3
247.20575	1.2
275.20013	5.8
275.27417	2.0
293.21106	5.5
293.28262	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	294.2063
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
54.76000	0.4
55.05508	0.6
57.07063	1.6
67.05495	1.4
67.46221	0.3
69.07062	2.1
69.80924	1.0
69.81349	1.4
71.08624	0.3
72.00080	0.3
79.05487	1.7
79.80855	0.4
81.07055	3.3
91.05492	0.9
93.07026	1.0
94.04170	3.0
95.04948	0.5
95.08570	0.7
97.10203	0.5
107.04955	0.6
109.06523	0.9
109.10132	0.5
110.10435	0.4
112.79493	0.3
121.10138	0.5
122.03646	8.1
122.04476	0.6
123.11694	2.2
133.10172	0.4
137.05975	100.0
138.06313	1.4
158.15427	1.3
170.15396	1.4
197.07373	0.7
220.52010	0.4
238.11528	0.6
276.20425	0.9
314.45770	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2473
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03942	2.0
55.05510	12.5
57.07060	2.8
65.03934	2.9
67.05505	100.0
69.07067	15.7
69.37046	18.6
79.05496	20.9
79.05921	2.8
81.07056	97.1
82.90068	1.6
83.08614	6.0
85.06535	3.7
85.25511	1.6
91.05502	12.3
93.07052	16.2
95.04990	4.9
95.08608	80.0
97.06487	3.6
97.10145	4.7
98.20733	2.2
99.08109	2.0
102.49480	1.9
105.07047	8.7
107.04985	1.9
107.08603	14.0
107.37128	1.8
109.06532	1.7
109.10151	37.6
111.33614	1.9
115.07575	1.6
117.06999	2.4
119.08566	7.5
120.87467	1.6
121.10143	12.5
123.08066	4.1
123.11703	19.2
131.04890	2.6
131.08577	6.5
133.10109	6.1
135.11676	9.8
137.09605	4.4
137.13283	8.7
145.10100	4.4
147.11662	3.8
148.20726	1.5
149.09599	5.8
149.13278	4.2
149.79201	1.6
151.11208	2.4
151.14786	3.9
159.11678	3.8
161.13255	3.2
163.11182	4.3
163.14807	3.3
165.12828	2.6
173.13268	6.1
177.12781	4.4
177.16440	3.2
187.14783	4.5
187.28163	1.8
205.15979	2.1
237.11172	3.7
243.21106	5.4
245.30789	1.9
261.22208	6.4
275.20053	7.1
293.21152	6.3
293.24768	11.0
293.28220	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	293.2838
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03930	1.3
55.01873	2.1
55.05264	1.8
55.05509	23.3
57.07077	14.3
59.04991	1.5
62.09052	1.3
67.05506	34.0
69.07069	47.5
70.16568	6.1
71.04991	3.0
71.08629	5.7
79.05500	11.6
81.07059	83.6
83.04977	2.3
83.08617	19.4
85.02958	1.3
85.06538	10.4
85.10171	2.6
91.05476	5.5
93.07033	18.5
95.04978	3.3
95.08607	100.0
97.06533	3.6
97.10175	12.4
99.08096	8.2
105.07032	7.4
107.08594	18.3
109.06553	3.6
109.10154	51.7
111.08091	5.4
111.11732	7.7
112.02205	1.3
115.07571	1.4
119.08583	5.1
121.10151	11.5
123.08075	2.0
123.11713	28.1
125.09655	2.9
125.13312	1.9
129.00960	1.7
129.06992	1.6
131.04919	2.8
131.08560	2.9
133.10115	2.8
135.08109	2.2
135.11697	5.7
137.09596	1.8
137.13252	36.8
139.11194	1.5
140.34242	1.2
145.10124	2.6
147.11629	1.8
149.09621	2.8
149.13252	10.1
151.14822	5.6
153.12775	2.5
159.11699	1.5
161.13303	1.3
163.14830	4.3
165.16431	1.6
167.14336	2.4
173.13252	1.6
175.13235	1.4
181.71638	1.5
197.07295	5.1
219.98450	1.2
233.06065	2.0
275.20032	6.4
275.27237	1.8
293.08069	4.6
293.21173	4.2
293.25046	2.2
293.28375	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	293.2836
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03944	1.6
55.01868	1.3
55.05507	21.8
57.07075	16.8
57.86553	1.1
59.04991	1.5
62.63843	1.1
67.05501	29.0
69.07066	44.1
69.71558	7.0
71.04996	1.8
71.08625	7.0
71.08958	1.0
79.05496	9.9
81.07053	84.7
83.08619	22.8
85.06528	11.5
85.10175	1.6
91.05482	2.9
93.07031	13.4
95.08601	100.0
97.06518	1.8
97.10162	12.9
98.20813	1.6
98.97595	1.4
99.08074	6.8
101.66486	1.2
105.06992	2.9
107.08591	15.6
109.10149	44.7
110.49210	1.2
111.08086	6.2
111.11700	5.9
112.01753	1.1
113.09618	2.0
116.98611	2.7
119.08570	1.8
121.10139	9.5
123.11706	29.7
125.13259	3.1
127.11157	1.6
131.04895	1.4
134.99660	1.1
135.11687	4.0
137.13245	44.9
139.11192	1.3
149.13254	10.4
151.14821	3.6
153.12741	2.8
163.14783	4.2
165.16409	3.3
167.14326	3.3
177.16475	1.3
179.17944	1.2
191.17824	1.3
191.99411	1.3
193.19331	1.3
197.07379	1.5
275.20184	1.6
275.27286	2.5
293.28372	24.6
294.29224	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2471
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03932	2.1
55.05501	8.7
57.07060	2.7
65.03942	2.6
67.05505	77.7
67.39454	1.8
69.07072	11.0
70.91874	2.3
70.92216	5.0
72.58357	2.1
79.05493	14.2
81.07055	100.0
83.08617	4.4
83.15517	2.0
85.06542	2.4
91.05455	4.9
93.07035	11.0
95.08606	71.0
97.10181	2.2
105.07045	4.7
107.08605	5.9
109.10152	38.3
119.08546	3.5
121.10168	9.2
123.11689	20.1
131.08580	2.6
135.11674	5.9
137.13274	9.9
145.10094	4.1
147.11693	4.1
149.13242	4.5
159.11630	3.4
161.13196	3.1
165.16411	2.3
173.13300	4.5
177.12677	2.3
187.14812	2.0
243.21156	3.4
243.68221	2.0
249.07613	2.6
250.08124	2.1
261.22147	5.2
276.92511	1.8
277.06946	2.0
278.07635	7.2
282.78369	2.0
293.10092	12.0
293.21411	3.5
293.24753	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	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
55.01853	7.8
55.05492	20.9
57.03417	21.5
59.68461	5.7
67.05504	36.4
69.07041	20.3
70.13129	26.7
79.05492	44.8
81.07052	51.3
83.07623	5.8
83.08617	9.8
85.06558	6.1
91.05485	37.6
93.07030	52.2
95.04958	13.4
95.08616	31.7
97.06512	14.5
97.10170	6.4
102.52593	6.4
105.07037	44.0
106.66230	6.4
107.08588	41.2
109.06512	17.4
117.07008	16.5
119.08554	33.5
121.10123	13.1
123.08063	6.2
131.08546	24.1
133.10114	24.8
135.11678	7.4
143.08522	10.0
145.10112	22.9
147.11639	19.3
151.11171	8.5
159.11684	31.3
161.13330	8.2
163.11148	6.4
173.13301	12.6
175.53549	5.8
182.41248	6.5
185.13203	24.7
201.16417	9.2
203.14261	9.5
219.17459	77.4
221.15323	17.8
239.17822	8.8
257.19016	16.9
273.51294	5.9
275.20065	100.0
285.69034	7.0
293.21237	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	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.42834	3.7
53.03941	8.9
55.01875	21.6
55.05514	51.0
57.07072	9.4
67.05505	57.7
69.07064	29.6
70.65404	11.7
71.04996	7.9
79.05496	71.7
81.03417	8.8
81.07060	61.0
83.04988	10.2
83.08618	18.4
88.33325	4.3
91.05493	47.3
93.07052	43.2
95.04980	22.2
95.08595	33.4
97.06551	22.7
97.10164	21.3
105.07031	51.3
107.04935	17.1
107.08596	97.1
109.06541	14.3
109.10151	18.5
111.08105	4.2
117.07030	9.8
119.08591	33.0
121.06544	6.2
121.10157	24.0
122.03647	9.3
123.08064	12.5
123.11783	6.1
125.09619	21.7
129.06987	4.4
129.07928	4.0
131.08565	17.4
133.10139	31.0
135.08044	5.6
135.11703	10.5
137.05983	78.2
137.06955	7.3
137.09634	8.6
145.10123	24.7
147.08124	5.5
147.11697	14.6
149.09610	36.4
149.13312	6.5
151.11131	6.8
157.10117	4.6
159.11739	11.5
161.13274	7.2
163.11195	12.7
165.09155	9.5
169.10237	5.6
173.13245	8.2
174.33707	4.0
177.12747	4.5
187.14868	5.2
189.11244	11.4
229.19832	4.0
237.22459	4.2
239.17917	7.2
247.20517	4.8
257.19046	12.0
275.20074	100.0
276.20166	4.9
293.21176	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	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03953	4.1
55.01880	5.4
55.05506	19.5
57.07076	6.3
67.05503	32.7
69.03433	5.2
69.07065	30.6
71.04986	3.5
79.05502	27.5
81.03418	3.6
81.07059	32.1
83.04970	5.7
83.08604	6.7
91.05475	25.2
93.07047	26.3
95.04962	13.9
95.08602	24.7
97.06515	3.5
100.70857	2.9
105.07040	29.4
107.04951	6.7
107.08597	19.5
109.06519	8.5
109.10159	10.8
111.08139	2.7
117.07013	7.2
119.08608	15.2
121.06523	10.8
121.10162	9.9
123.08036	3.5
123.11738	3.6
131.08585	18.8
133.06453	3.6
133.10136	18.4
135.11658	5.5
143.08516	3.2
145.10078	13.2
147.11690	14.0
149.09634	5.2
151.11185	12.5
157.10165	3.2
159.11737	8.4
161.09648	3.1
161.13200	3.7
163.11188	6.0
173.13260	5.1
191.14168	3.1
197.07256	5.3
219.13696	5.4
229.19296	3.8
239.18129	3.1
247.20461	4.0
257.19049	16.3
275.20044	100.0
276.20331	4.3
293.21124	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03946	20.8
55.01870	84.1
55.05510	55.8
67.05502	74.7
69.07079	51.0
71.05000	11.4
71.32647	9.4
71.32977	14.3
79.05492	66.9
81.03401	43.0
81.07063	100.0
83.04973	15.8
83.08613	13.5
89.93147	7.3
91.05476	53.4
93.05103	6.9
93.07045	55.6
95.01385	9.6
95.04957	59.5
95.08588	43.9
97.06544	24.6
97.10181	14.2
105.07030	63.3
107.04942	43.0
107.08574	39.1
109.06518	22.2
109.10151	13.9
111.04501	12.5
117.07034	17.0
119.08579	35.4
121.06520	17.2
121.10152	14.7
123.08087	17.1
125.09612	75.8
127.85470	8.0
131.08563	18.5
133.10143	34.4
135.08076	15.4
135.11690	7.5
137.09575	7.9
145.10046	17.4
147.11693	21.9
149.09636	15.1
151.11203	29.1
159.11661	22.2
163.11212	11.5
169.10139	8.6
177.12791	21.5
179.14340	8.9
195.13956	8.9
204.91191	9.6
245.55571	7.7
247.20587	8.3
275.20123	66.4
293.21133	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03936	4.4
55.01875	14.0
55.05275	2.9
55.05513	40.2
57.03424	5.4
57.07057	3.7
65.98215	2.3
67.05503	59.4
69.03435	5.0
69.03815	2.6
69.07068	27.0
70.84950	6.2
70.85323	5.9
71.04993	6.2
79.05064	4.2
79.05489	57.0
81.03407	9.4
81.07056	75.2
83.04973	10.8
83.08630	20.9
85.06543	5.0
87.94144	2.6
91.05478	36.5
93.07037	36.7
95.04971	18.6
95.08607	41.7
95.65797	2.8
97.06546	15.6
97.10164	20.1
99.06151	2.6
105.06382	4.2
105.07030	41.7
106.51055	2.9
107.04939	10.1
107.08588	52.1
109.06522	21.2
109.10162	20.2
111.08061	3.9
116.81133	2.8
117.07007	10.5
119.08569	27.0
121.06501	6.9
121.10111	16.9
123.08061	11.3
123.11701	6.1
125.09653	16.3
129.06996	6.3
131.08539	13.9
133.10115	26.8
135.08018	8.6
135.11676	10.0
137.09633	9.1
143.08549	4.7
145.06386	3.1
145.10121	18.7
147.11723	18.5
149.09639	20.2
149.13269	6.1
151.11195	7.8
159.11638	13.1
161.13283	8.3
163.11165	11.6
165.09073	8.6
171.11646	3.4
173.13274	5.7
175.11165	3.8
175.14824	3.2
177.12718	2.8
183.11658	3.2
189.11212	7.9
197.13171	3.1
229.19540	3.5
239.17900	6.9
247.20604	9.0
253.41321	2.8
257.18954	14.9
267.85507	2.8
275.20074	100.0
276.48419	3.1
293.21155	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	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03949	5.8
55.01858	9.3
55.02115	3.1
55.05511	33.4
57.03429	6.5
57.07073	3.5
63.70971	3.1
67.05505	54.0
69.07059	27.1
71.05001	6.5
79.05499	45.3
81.03429	8.1
81.07058	100.0
81.92012	2.7
83.04971	7.3
83.08617	12.8
91.05478	31.0
93.07052	38.6
95.04971	24.1
95.08611	29.4
97.06515	8.6
97.10173	8.0
100.43541	3.2
105.07027	36.2
107.04966	8.5
107.08600	30.8
109.06506	28.2
109.10168	12.8
111.08073	8.4
117.06995	8.9
119.08581	30.2
120.13416	2.9
121.06508	6.1
121.10150	15.3
123.08083	17.0
123.11717	5.6
125.09618	4.9
131.08578	15.1
133.10135	27.5
135.08046	8.2
135.11670	7.5
137.09618	10.7
143.08578	3.6
145.10147	12.1
147.11676	15.8
149.09610	13.3
149.13422	3.1
151.11177	8.7
156.72774	2.9
159.11690	10.5
163.11221	8.6
165.12729	4.5
171.11731	3.2
173.13216	5.7
178.30182	3.3
183.11700	3.6
189.12738	3.4
223.06017	3.3
224.86594	2.9
239.17952	3.3
247.20596	5.7
257.19028	7.3
265.21741	3.4
275.20081	63.0
282.78317	3.3
293.21130	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
55.01881	9.9
55.05512	61.9
56.01279	5.2
67.05508	39.8
69.03421	7.5
69.07044	11.1
69.45569	50.7
79.05489	100.0
81.07059	38.0
83.04967	8.9
83.08612	25.6
87.23978	5.1
89.50507	4.7
91.05470	31.9
93.07060	37.9
95.04966	7.9
95.08600	10.2
97.06509	9.7
97.10149	32.3
98.21437	10.5
101.95932	5.3
105.07036	34.0
106.55317	4.9
107.04938	51.0
107.08585	65.4
109.10162	13.5
117.07018	10.9
119.08559	21.2
121.10172	12.9
125.09629	33.7
131.08528	14.1
133.10100	17.9
135.08046	13.3
145.10092	6.9
147.11685	16.3
149.09622	100.0
161.13292	9.3
166.59599	5.4
189.11203	22.4
198.22079	5.1
229.19566	8.8
247.20738	7.5
257.19037	21.8
275.20010	88.4
276.51483	4.9
293.21179	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	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03940	26.8
55.01872	15.7
55.05513	40.1
56.04446	3.9
56.96570	3.8
57.03416	6.8
57.07077	8.1
67.05504	65.9
69.03407	4.8
69.07066	79.2
69.54435	9.1
69.54839	20.8
70.73234	3.5
71.04999	4.4
75.96901	4.0
79.05493	58.0
81.03417	53.8
81.07059	70.7
83.04980	15.5
83.08620	14.2
85.06532	3.7
91.05478	49.4
93.07043	45.8
95.04954	27.9
95.08604	45.4
97.06519	17.9
97.10155	19.1
98.21488	5.8
105.07032	55.8
107.04960	37.8
107.08595	75.4
109.06514	13.3
109.10163	12.2
111.08091	4.3
115.07552	4.4
117.07022	17.5
119.08573	32.3
121.06496	10.5
121.10126	12.5
123.04423	4.1
123.08070	15.0
125.09637	17.1
131.04842	3.9
131.08566	18.6
133.10121	33.2
134.99655	6.5
135.08055	8.7
135.11705	15.0
137.09624	5.3
145.06517	7.0
145.10106	20.3
147.11703	14.8
149.09680	27.5
149.13200	7.1
151.11198	9.0
157.21222	4.5
159.11649	18.9
161.13245	6.9
163.11191	12.0
169.10167	3.9
171.11717	6.1
173.13266	8.0
177.12767	8.5
179.14310	25.5
187.11201	9.2
189.11308	9.6
197.07324	9.8
219.17450	6.3
219.23128	4.2
239.17944	7.5
257.19064	13.3
275.20044	80.6
275.22818	6.9
293.21075	100.0
293.27942	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	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03934	4.5
55.01872	29.3
55.05508	34.8
57.07067	5.6
59.90560	3.5
67.05498	45.1
68.90364	4.2
69.07057	20.7
70.08390	15.2
70.08795	7.2
71.04960	5.4
78.27184	4.5
79.05487	56.2
81.03429	11.4
81.07055	55.1
81.52637	4.2
83.04992	10.1
83.08613	17.3
85.06520	4.4
91.05462	42.2
93.07040	34.4
95.04971	12.6
95.08608	33.8
97.06515	29.9
97.10181	22.0
98.20780	4.3
105.07022	47.1
107.04951	16.5
107.07874	5.8
107.08596	92.1
109.06510	8.7
109.10168	19.7
117.07033	9.2
119.08586	24.4
121.10125	19.0
123.08110	7.4
123.11698	5.1
125.09622	18.9
128.48770	3.9
131.08551	15.3
133.10130	27.6
135.08017	7.7
135.11665	11.9
137.05963	28.3
137.09511	4.8
137.25429	3.7
145.10118	12.5
147.11665	12.1
149.09604	32.8
151.11174	12.9
159.11697	15.7
161.13226	9.0
163.11183	6.8
165.09097	12.2
171.11761	4.6
187.11121	4.4
189.11307	9.3
229.19484	7.0
237.11246	5.1
239.17981	6.5
247.20583	10.6
257.18973	15.0
275.20081	100.0
293.20987	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	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.40357	5.3
53.03945	7.5
55.01867	15.3
55.05511	36.3
57.03441	29.3
67.05497	62.7
69.03435	8.2
69.07066	37.5
70.00815	20.2
79.05491	56.4
81.03400	7.5
81.07050	78.1
83.04967	9.0
83.08623	26.7
85.06536	8.3
91.05468	55.4
93.07040	65.2
95.04962	16.0
95.08604	47.7
97.06531	14.5
97.10143	18.7
105.07024	50.1
107.04930	8.0
107.08601	57.3
109.06507	28.1
109.10126	22.9
111.08094	7.2
117.06992	15.4
119.08573	43.1
121.06492	4.9
121.10144	22.7
123.08033	9.4
125.09637	15.4
131.08595	33.1
133.10144	27.7
135.11670	12.8
137.09590	6.8
141.01071	5.1
143.08611	4.8
145.10110	24.9
147.11670	20.1
149.01213	6.5
149.09612	20.3
149.13222	7.1
151.11174	10.6
157.10172	6.9
159.11682	18.9
161.09650	5.6
161.13234	9.2
163.11194	8.1
165.12759	7.4
171.11732	4.8
173.13206	13.2
177.12688	5.5
185.13237	20.6
189.11230	5.7
195.23013	4.4
197.07367	5.9
201.16331	12.8
203.14384	6.2
219.17429	75.5
221.15349	12.5
223.13100	6.0
239.17993	13.0
257.19034	18.4
275.20068	100.0
276.20474	5.5
293.21182	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	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03930	15.5
55.01868	18.1
55.05510	92.9
56.96548	21.2
57.03418	8.2
57.07061	29.1
57.76336	6.2
67.05502	79.4
69.03419	14.5
69.07068	71.7
69.63124	5.6
69.70015	28.3
70.06609	7.6
71.04991	14.2
71.08608	10.8
79.05116	7.7
79.05489	73.9
81.03416	15.7
81.07048	100.0
83.04967	20.1
83.08615	56.0
85.02888	7.8
88.66774	6.8
89.52347	6.9
91.05467	44.8
93.07030	55.2
95.04952	30.7
95.08587	51.9
97.02920	6.5
97.06487	10.7
97.10170	55.0
98.97569	18.0
99.08102	14.2
105.07041	41.5
107.04938	13.4
107.08559	50.6
109.06495	11.9
109.10142	17.5
110.24914	6.8
115.07494	6.7
116.98643	21.3
117.07027	18.8
119.08574	26.8
121.06499	9.9
121.10133	31.7
123.08041	14.6
123.11725	7.6
125.09618	60.8
127.85938	8.1
131.04898	10.0
131.08540	17.9
133.10144	27.1
134.99646	24.5
135.08063	13.9
135.11697	12.6
137.09612	12.7
139.11162	6.3
141.06898	9.5
141.09064	8.4
143.10683	11.4
145.10132	20.4
147.11661	13.6
149.01315	7.1
149.09619	23.8
151.11188	22.3
159.11667	14.7
163.03839	9.6
163.11150	10.9
165.12747	7.9
167.10622	7.8
175.11203	7.4
177.00652	7.3
181.04921	17.8
189.11275	42.4
191.14395	8.0
197.07294	20.7
203.13835	6.7
235.28951	7.4
237.05577	6.8
247.20427	8.5
251.04384	13.3
257.19028	11.0
275.20105	79.4
293.21121	96.9
293.27988	17.9
294.04529	6.1
312.05386	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.02148	3.6
55.01860	14.0
55.05515	29.6
57.03427	5.4
57.07079	5.7
67.05505	55.5
69.07072	28.7
69.76730	3.5
70.36422	3.0
70.65083	13.2
79.05487	53.6
81.03416	7.5
81.07056	100.0
83.04983	9.1
83.08611	13.8
85.06570	4.8
91.05474	39.9
93.07036	33.0
95.04978	21.6
95.08596	41.0
97.06511	7.0
97.10143	6.1
105.07033	43.5
107.04956	12.0
107.08583	48.2
109.06498	27.0
109.10150	28.8
111.08057	7.9
117.07007	10.4
119.08593	34.3
121.06489	5.1
121.10132	16.7
123.08070	8.7
123.11725	11.3
125.77636	4.1
131.08559	21.9
133.10149	34.3
135.08086	11.0
135.11684	9.4
135.64011	4.1
137.09631	16.1
140.89421	3.5
145.10139	17.9
147.11697	15.2
149.09628	13.2
149.13248	5.3
151.11214	10.1
159.11731	10.6
161.13223	4.7
163.11198	4.0
171.11710	5.3
173.13242	6.0
192.38806	3.9
237.33704	4.2
247.20514	5.8
257.19104	9.3
275.20068	69.9
288.94449	3.7
293.21078	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	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03939	7.8
53.88622	4.7
55.01863	16.9
55.05265	6.2
55.05511	90.4
56.65464	5.3
58.89114	5.2
59.09073	5.0
62.92009	4.2
62.99510	5.4
67.05502	79.5
69.03433	12.9
69.07073	37.8
69.32822	11.4
69.33238	50.6
71.04992	9.7
73.01816	5.3
73.67533	5.2
79.05493	88.2
81.03425	6.9
81.07062	61.1
83.04977	11.2
83.08623	31.5
91.05482	48.2
93.07039	59.7
95.04962	40.1
95.08618	45.8
97.06516	13.1
97.10163	36.1
105.07030	50.1
107.04960	12.5
107.08591	91.4
109.06518	13.0
109.10137	27.8
117.07017	16.7
119.08582	37.7
121.06468	9.2
121.10135	22.7
123.08085	12.8
123.11632	6.2
125.09630	23.1
131.08540	14.9
133.10153	33.0
135.08038	10.3
135.11716	14.0
137.09593	19.6
139.11162	7.6
145.10104	16.1
147.11681	16.9
149.09622	35.3
151.11107	8.9
159.11719	12.3
161.13219	11.4
163.11189	6.2
171.11795	5.8
173.13191	9.5
189.11209	25.7
236.30052	5.9
239.18060	7.5
247.20737	6.6
257.18967	11.3
275.20041	100.0
276.20258	6.1
293.21179	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	293.211
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
53.03931	3.0
53.69618	1.3
55.01867	11.3
55.05509	21.5
56.96548	3.3
57.07080	10.9
60.71143	1.5
65.03938	2.2
67.05501	38.2
69.03412	3.8
69.07066	19.4
69.27387	15.2
71.04970	6.5
71.08631	18.3
75.94082	1.3
76.54266	1.4
79.05487	21.7
81.03415	17.6
81.07049	28.1
83.04984	7.7
83.08611	11.2
85.02872	2.5
85.06528	4.8
89.56861	1.4
91.05482	21.0
93.07035	24.9
95.04369	3.1
95.04969	59.9
95.08604	36.0
97.06521	9.5
97.10152	5.3
98.97579	1.6
99.04476	1.6
99.08092	12.1
101.06056	2.0
105.07038	16.3
107.04945	5.8
107.08593	14.4
108.53554	1.5
109.06488	7.2
109.10146	16.0
111.04412	2.5
111.08066	3.0
113.05983	1.7
113.09657	1.4
116.98630	2.9
117.07043	7.0
119.08566	11.0
121.06521	8.1
121.10148	9.7
123.08054	4.9
123.11785	2.1
125.09651	4.9
129.06998	2.6
131.08592	7.8
131.09383	1.9
133.10124	8.2
134.99638	3.4
135.08022	5.1
135.11693	5.5
137.09610	7.4
137.13345	1.7
139.11186	4.7
141.09093	3.2
143.08479	1.7
145.10114	6.9
147.11609	2.4
149.09602	6.3
149.13252	3.2
151.11180	73.6
155.10680	7.6
159.11700	6.2
161.09612	3.5
163.11171	8.4
165.12779	12.4
173.13237	1.9
177.12749	13.3
179.10712	2.1
187.11214	1.8
191.14343	1.9
195.13770	1.8
197.07306	3.3
205.12308	1.9
213.96838	1.6
223.13239	5.7
229.19539	2.7
237.14841	1.8
242.04039	1.4
247.20609	4.3
251.16643	2.0
257.18991	4.7
269.05569	1.5
275.20056	17.0
293.21100	100.0
294.21378	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.04815	4.0
53.03944	5.5
55.01872	15.0
55.05510	54.5
57.03448	8.0
57.07076	24.3
65.03931	5.2
67.05501	59.9
69.03422	7.6
69.07069	100.0
69.50739	36.2
71.04969	6.1
79.05493	64.4
79.05915	7.2
81.03419	8.7
81.07055	87.7
83.04973	12.0
83.08620	33.7
84.94164	4.0
85.06522	7.5
91.05475	43.5
93.07035	48.0
95.04984	32.2
95.08604	39.6
97.06528	16.4
97.10151	10.1
98.99989	5.0
105.07030	50.6
107.04943	13.1
107.08604	66.1
109.06489	26.7
109.10159	22.5
111.08065	10.0
115.07589	17.6
117.07021	15.2
119.08581	42.1
121.06498	7.7
121.10140	19.8
123.08070	13.4
123.11721	8.4
125.09637	18.8
126.99480	9.2
128.17290	4.2
129.00995	9.4
129.34094	4.0
131.08582	16.6
133.10126	39.2
135.08066	10.5
135.11638	9.9
137.09592	15.8
139.24715	4.9
141.01024	15.6
143.95003	4.1
145.10120	17.3
147.11682	18.7
149.09630	19.6
149.13176	4.0
151.11183	17.8
159.11703	15.0
161.13292	6.6
163.11200	12.8
165.09190	5.4
173.13226	6.4
187.11127	4.3
188.18987	4.6
189.11320	6.3
197.07275	53.2
210.70039	4.2
214.11423	3.9
225.06810	7.5
237.15074	4.5
239.17955	6.4
247.20631	8.9
250.04776	4.1
257.19006	11.4
275.20059	79.3
293.21051	35.5
294.09973	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65159	0.2
53.60183	0.2
55.05489	0.2
56.96555	0.3
57.03451	0.3
57.07086	0.4
58.96740	0.2
63.59573	0.2
65.03941	0.3
67.04241	1.0
67.05508	1.1
69.03410	0.3
69.07072	0.8
70.06583	0.3
70.98341	0.5
70.98668	0.3
72.08159	1.3
79.05493	0.4
80.05032	0.2
81.07060	0.7
82.06577	30.8
83.06907	0.4
84.08135	0.2
85.02914	0.6
91.05513	0.2
94.06543	0.3
95.08614	0.5
97.02941	0.2
100.07612	100.0
101.07969	0.9
105.07048	0.3
107.04955	0.3
109.10148	0.3
111.04425	0.2
115.07520	0.2
121.28201	0.2
123.04423	0.3
131.04936	0.4
136.07642	0.5
139.03952	0.4
140.84966	0.2
146.04831	0.2
146.05981	0.2
147.04422	0.6
161.07115	0.3
162.05580	0.3
173.05992	0.2
188.07063	0.3
197.07269	0.5
216.20270	0.2
235.28189	0.2
235.57086	0.2
257.13156	0.3
275.13760	0.5
293.14941	19.4
294.09851	0.3
294.15305	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	20.7
60.05633	8.4
65.23838	6.0
65.26161	6.5
65.54182	5.8
66.05169	6.8
69.27069	55.4
69.27484	17.2
76.05128	21.5
84.96032	10.6
97.02932	7.2
97.98660	6.0
98.97578	38.4
113.48637	6.3
114.15587	6.4
116.98621	28.6
118.08627	14.4
119.01933	25.5
119.08996	7.7
120.96670	6.4
126.90591	5.8
128.98578	12.3
134.99666	20.0
143.01901	11.3
145.03445	8.9
160.02156	5.9
161.02969	27.1
161.99538	26.2
163.02679	15.5
173.02969	11.3
177.00902	7.6
177.09860	14.5
182.04585	9.1
189.00633	6.3
191.03992	8.0
203.03996	9.2
203.32402	6.1
218.06567	8.6
219.01886	6.3
237.02887	13.0
251.04378	44.8
269.05432	11.9
289.37292	6.2
293.06158	100.0
311.06595	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	293.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	52.5
69.03398	2.3
69.82562	5.2
70.98102	1.5
71.04964	1.4
71.95242	2.6
74.97607	2.5
76.95462	0.9
77.00896	1.2
81.03403	2.8
84.96036	20.6
85.02895	2.0
86.99301	0.8
87.04424	1.3
88.99171	1.5
97.96777	6.1
98.97583	64.7
100.07597	2.6
101.00883	7.6
102.97101	4.6
109.02876	2.3
110.97585	4.6
115.02380	1.2
115.97810	3.9
116.98618	63.7
118.00272	1.0
118.01109	2.0
119.01920	27.9
120.02004	1.3
123.01366	1.1
124.99107	3.2
127.00715	1.3
127.02402	1.3
127.03919	1.0
128.98581	7.2
131.00182	7.7
131.01851	4.8
131.51985	1.5
133.01663	1.5
133.03455	2.7
133.98897	1.1
134.99657	47.3
137.02940	7.5
138.52617	1.5
139.00716	2.7
139.02518	2.0
140.00197	1.7
140.01454	0.9
140.98622	1.7
141.99387	4.3
142.01114	8.0
143.00160	18.3
143.01884	15.3
144.01820	1.7
144.98135	1.1
145.01672	1.3
145.03473	14.3
146.01518	2.4
146.03432	0.8
146.08104	1.4
146.99632	5.4
149.01170	10.7
149.02879	1.6
150.52759	1.2
152.01437	1.0
153.00742	10.0
153.02007	1.1
153.02240	0.8
154.01321	0.9
155.00134	2.0
155.01909	3.6
157.01743	7.2
157.03479	24.3
158.01276	2.3
158.03448	1.2
158.99644	5.9
159.03180	1.4
160.00409	4.0
160.02174	14.2
161.01208	27.0
161.02936	69.9
162.03041	3.1
163.02629	1.1
163.04494	2.0
167.02165	1.7
170.99568	1.6
171.04970	1.0
173.01216	7.6
173.02945	14.5
173.98442	1.2
174.99219	1.0
175.02776	9.2
175.04495	30.6
176.02477	1.5
176.04568	1.9
177.00716	12.8
179.00758	1.2
179.02263	2.6
179.04018	3.3
182.99602	2.3
184.02791	1.3
184.04588	2.0
185.01572	0.8
185.02962	4.8
187.02893	1.7
187.04497	5.4
189.00629	1.0
189.02434	1.7
189.04169	0.9
191.02248	14.4
191.03990	15.8
195.01720	2.3
196.02205	1.0
197.03020	2.3
197.05058	0.9
198.06075	1.5
199.99770	0.9
200.03665	2.7
201.00746	5.1
201.04175	0.9
203.02325	1.5
203.04036	11.4
205.02930	1.1
209.03278	1.8
209.05130	1.1
212.03618	2.8
212.53734	1.4
214.05551	1.5
215.02203	1.5
215.04031	2.2
217.05615	1.0
219.01759	7.9
221.05144	5.6
221.54276	1.1
227.04115	4.4
228.05591	1.2
232.54956	1.0
233.01073	1.5
233.03000	7.1
233.05060	3.8
235.06534	2.5
235.56703	6.9
236.04492	5.7
236.06786	7.1
236.54729	0.9
236.56998	1.4
237.02809	7.8
239.06163	6.4
240.06326	0.8
244.57285	1.4
245.04950	1.1
245.07207	1.5
247.06679	7.6
247.57286	1.1
251.04324	21.7
253.07693	5.8
260.01428	1.2
265.07623	3.8
269.05435	66.2
270.05872	1.6
271.04257	1.0
274.05994	1.4
275.06168	23.7
276.06226	1.0
287.06500	19.7
292.06989	2.6
293.06168	49.9
311.06473	100.0
312.06769	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	6.3
56.96295	3.7
56.96565	60.3
60.05645	9.1
69.03431	2.1
69.89635	8.9
69.90047	3.1
70.06594	3.1
71.01355	1.8
72.04510	7.4
74.06081	3.2
74.97592	3.4
76.05130	44.0
81.03407	2.8
84.04513	4.5
84.08126	2.2
84.96037	25.5
85.02898	2.7
93.47025	1.9
97.96782	6.9
98.21480	2.8
98.97584	100.0
101.00884	7.2
102.05572	2.8
102.97056	4.8
103.00642	3.1
105.02180	2.0
110.07193	2.4
110.97554	10.8
112.05125	4.9
112.99129	3.3
115.97865	4.0
116.98624	91.8
118.05017	4.4
118.08625	2.7
119.01916	30.7
121.01665	11.5
124.03921	2.2
126.05520	5.0
128.98611	23.2
131.00185	8.7
131.01936	5.5
133.01662	7.0
133.03497	4.8
134.99663	60.7
136.03947	4.6
136.07619	3.7
137.02945	7.2
138.83028	2.2
139.02682	3.4
140.00211	2.9
140.98671	2.7
141.99393	3.5
142.01178	3.5
143.00165	22.2
143.01888	13.1
144.98163	3.4
145.01701	4.9
145.03470	13.5
146.99644	24.7
147.01465	2.4
149.01242	6.9
151.51024	1.9
152.98595	6.4
153.00706	7.8
153.01785	2.8
154.05022	5.4
155.00102	3.1
155.01913	4.3
157.01694	5.1
157.03479	8.5
158.04482	3.5
158.99644	10.0
159.03227	3.7
160.00449	4.1
160.02159	4.6
160.07188	5.1
161.01245	27.0
161.02971	40.6
162.99156	6.8
163.02745	9.7
163.04558	5.2
165.00763	3.6
170.99678	13.8
173.01228	9.4
173.02989	16.4
175.02777	7.6
175.04543	14.2
176.02330	2.1
177.00720	20.2
177.04271	3.0
177.09853	12.6
179.02243	5.5
182.04507	9.4
184.02846	2.4
184.04655	2.9
185.01282	2.2
185.02893	4.9
187.02805	3.7
189.00729	7.7
189.02364	3.1
191.02281	15.9
191.04033	10.6
195.01778	4.4
200.05556	14.4
201.00713	3.2
203.03993	5.7
205.03758	2.2
207.01744	4.2
218.06577	25.9
219.01758	16.5
221.03339	2.4
233.03177	10.5
235.06609	2.9
237.02808	45.5
242.08307	2.4
246.19017	2.4
251.04373	94.7
253.07645	9.3
255.03777	2.9
260.04401	2.5
263.06076	2.7
269.05432	78.0
274.05914	3.6
275.06165	8.1
276.09305	2.2
287.06470	15.8
292.06934	3.1
293.05432	43.0
293.10953	9.4
311.06451	67.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	12.5
56.96559	3.2
57.27390	1.4
67.05489	1.7
69.03423	3.0
71.58053	3.1
71.58414	1.9
84.08126	3.8
85.02911	9.8
97.02886	3.4
107.04914	1.5
109.02827	1.7
112.02214	2.0
112.07601	35.1
116.98644	2.0
130.08635	100.0
146.87596	1.8
151.43787	1.6
170.75934	1.7
173.95615	1.5
199.24455	1.6
213.92651	1.4
269.05511	2.9
281.55789	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.2
55.05496	2.9
56.05026	1.6
56.96563	76.0
57.03430	3.9
57.07055	1.8
60.04512	1.7
61.02941	3.3
67.05505	4.3
69.03424	9.8
69.07052	5.6
70.06579	5.6
70.98133	2.3
71.04957	2.4
71.23370	3.2
71.23721	1.6
71.95253	5.0
72.08097	1.8
73.02903	4.3
73.97865	1.3
74.97604	4.5
77.21251	1.5
79.05473	2.0
81.03398	4.3
81.07062	3.7
83.04943	2.0
84.04522	3.0
84.08143	5.5
84.96028	18.8
85.02896	16.2
86.09674	2.6
86.53803	1.9
87.04437	2.4
88.99117	2.4
91.05467	2.1
95.04936	1.7
95.08577	2.1
97.02898	12.9
97.96796	6.2
98.97578	58.8
102.97048	4.9
107.04948	2.7
107.08570	1.5
110.07178	3.5
110.97552	4.4
111.07477	2.0
115.97816	5.1
116.07121	1.7
116.98618	67.3
119.01890	3.6
120.98028	2.5
127.03871	3.9
128.98596	8.2
130.08661	5.2
131.00174	7.0
131.04941	1.9
131.08975	4.5
132.46562	1.6
133.01814	1.5
133.98909	3.7
134.99655	87.4
137.06013	3.0
140.98515	2.3
141.99385	4.7
143.00160	19.4
145.01682	2.4
146.99622	14.2
147.03180	1.5
147.04340	3.6
149.01224	12.7
150.99010	1.9
153.00717	21.3
153.01846	3.2
157.01727	5.6
158.01276	6.2
158.99680	9.5
160.00447	6.0
160.07698	1.4
161.01224	39.4
161.02669	2.5
161.07092	5.8
161.69632	1.6
162.05478	1.5
162.99104	2.0
163.02791	3.6
163.32329	1.6
165.00737	3.3
167.02269	4.0
170.99681	3.2
173.01122	9.3
174.03583	2.2
174.99176	2.1
175.02809	13.2
177.00710	20.3
179.02264	7.8
182.99594	1.9
183.04167	4.6
183.66093	1.6
184.04935	3.2
187.02663	1.6
189.00677	4.7
191.02260	14.4
191.05682	1.7
193.03673	1.7
195.01755	4.1
196.28435	1.6
197.07332	2.5
201.00708	7.2
202.08591	2.7
203.02208	4.2
205.03763	2.0
207.01730	2.8
209.03343	4.6
211.02649	2.0
219.01736	12.6
221.03331	2.0
233.03357	5.7
237.02780	20.2
244.99698	2.1
251.04401	24.5
254.00919	3.0
263.00766	6.3
269.05484	58.2
287.03839	3.7
287.06821	16.6
292.06989	5.3
293.05460	17.8
293.11319	2.7
293.21057	2.0
311.06491	100.0
312.06671	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	293.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19383	1.2
50.52261	1.2
50.73854	1.2
56.96565	58.5
57.03430	2.5
61.02930	4.1
69.03428	4.6
69.97869	4.9
69.98285	3.2
70.98117	1.5
71.95251	3.1
73.02894	1.6
73.08335	1.3
74.97605	3.1
81.03406	4.0
82.35714	1.3
84.96038	20.0
85.02909	7.3
97.02890	4.2
97.96802	4.0
98.97585	79.0
100.99167	1.8
101.00910	3.1
102.97073	4.7
109.02837	2.8
110.97588	5.4
112.99173	1.5
115.97838	3.8
116.98624	79.6
119.01923	16.7
124.99122	3.4
127.03896	3.2
128.98602	8.8
131.00177	10.4
131.01926	4.4
133.01709	2.0
133.03442	2.6
133.98911	1.9
134.99655	53.5
137.03000	3.5
138.17345	1.3
140.00148	2.3
140.98557	2.2
141.99413	5.9
143.00157	21.7
143.01846	8.0
145.03435	6.0
146.99649	6.9
148.72511	1.3
149.01222	11.5
153.00711	9.3
155.00166	2.3
155.01830	1.8
157.01733	5.2
157.03502	3.4
158.01207	1.6
158.99672	8.9
159.05054	1.4
160.00455	4.4
160.02144	1.9
161.01242	30.3
161.02960	21.8
162.99129	1.5
163.02708	1.7
165.00749	3.0
167.02245	1.6
173.01234	10.7
173.02951	5.1
174.99223	1.8
175.02794	8.9
175.04456	3.2
177.00703	12.1
179.02280	4.1
185.01311	1.8
185.02940	3.3
187.04520	1.7
189.00729	3.2
191.02306	14.2
191.04027	4.5
193.03824	2.6
195.01768	4.1
201.00653	6.9
203.02313	2.3
203.04063	5.5
205.03845	2.0
207.01804	3.4
209.03291	2.3
215.02344	1.9
215.04338	1.5
219.01750	8.9
233.03419	5.6
235.06743	1.4
237.02802	9.4
247.06520	1.8
251.04347	25.9
253.07837	1.9
255.03703	2.2
269.05444	67.5
274.05841	2.0
275.06058	2.8
287.06543	22.8
292.06992	2.0
293.05399	21.2
294.05920	2.1
311.06491	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88123	0.6
54.47024	0.7
55.01862	0.8
55.05498	1.7
55.37549	0.8
56.96566	45.2
62.06320	0.7
67.05520	2.2
69.07068	1.5
70.08315	3.2
71.95265	5.5
72.96047	2.2
79.05511	2.3
80.05820	1.5
81.07058	2.4
91.05487	1.1
93.07057	1.5
95.04950	1.1
95.08602	1.3
96.08927	0.9
98.21428	0.8
105.07033	1.9
107.08572	1.8
109.06490	1.6
110.06882	0.8
110.97594	0.8
111.08073	1.4
112.08400	1.2
116.98568	1.2
123.01221	0.7
123.08104	1.7
124.04782	0.9
124.08402	1.1
133.01721	1.4
135.08041	1.5
137.02736	1.7
139.03909	1.9
139.83009	0.7
141.02249	1.9
145.01752	1.4
146.99684	1.1
148.12010	0.8
149.01216	2.0
151.07550	3.5
152.07896	3.3
155.03773	4.1
157.01701	1.2
159.03285	1.8
163.01305	0.8
171.03279	0.9
173.04860	2.3
175.02766	0.8
181.05348	0.8
185.04852	1.3
187.06485	1.1
190.13078	1.7
195.06969	2.7
195.42535	0.8
197.08542	0.7
199.04482	0.7
199.06448	2.6
203.05960	1.3
205.07500	0.9
207.13858	1.3
208.14154	2.9
211.10277	1.1
213.07993	22.1
213.10069	1.1
217.05655	0.8
217.07515	5.3
219.19742	0.7
221.08449	1.0
225.08012	6.2
231.09056	39.6
234.15755	1.8
236.09531	1.1
239.09570	4.7
241.11230	1.1
243.09048	6.9
249.10051	1.2
251.09508	12.0
251.11856	1.2
254.10658	2.3
257.10635	5.2
269.10605	100.0
270.10980	1.2
274.18839	1.2
287.11655	95.1
288.12158	1.0
292.09091	1.1
292.12238	15.5
292.15704	1.3
292.16843	0.9
292.19696	5.4
292.22635	1.0
310.13235	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	292.121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	2.1
55.05505	3.2
57.03437	28.6
57.07074	25.8
58.99587	10.1
59.04990	1.6
60.79145	1.1
65.03922	1.5
67.05486	2.7
69.03430	6.8
69.07073	7.7
69.36904	12.4
70.06551	1.5
73.01124	1.4
74.06059	1.3
75.09088	1.0
76.02229	26.4
79.05489	2.5
81.03400	1.2
81.07056	6.0
83.04947	3.3
84.08112	1.6
85.02912	4.6
85.06535	3.6
86.99058	7.2
91.05460	2.0
92.05816	1.1
93.07047	2.7
95.08589	2.2
97.02901	4.9
97.06536	1.8
97.10162	1.5
100.11210	1.2
105.00092	10.8
105.07011	2.4
107.04891	1.1
107.08603	8.8
109.06556	2.2
111.04461	2.0
111.08072	6.5
113.02369	3.4
113.09634	4.3
115.05804	6.0
119.04929	1.1
122.02727	100.0
123.04399	3.8
125.04225	3.5
125.09622	26.6
130.12283	19.6
139.03925	3.6
139.05771	5.7
140.04259	4.1
143.05254	52.7
147.04414	1.6
153.09103	21.0
171.10161	42.0
171.11650	2.1
177.05498	1.9
194.10342	1.4
203.07359	23.7
204.08475	1.2
246.11473	1.5
255.06769	1.2
274.10764	3.1
292.11981	3.5
292.17621	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57032	1.4
51.30430	1.4
51.36883	1.5
55.01860	2.4
55.05507	2.7
57.03180	2.4
57.03436	24.9
57.07076	22.5
58.99593	9.5
62.19071	1.6
69.03417	5.5
69.07050	5.0
71.29701	4.0
76.02232	19.8
79.05483	2.0
81.07036	6.5
81.90205	1.9
83.04971	4.1
85.02905	3.5
85.06554	3.3
86.99053	5.4
91.05458	1.9
93.07024	1.8
95.08625	1.8
97.02876	2.0
97.06542	3.2
97.10155	1.5
105.00070	10.2
105.06995	1.7
107.08587	8.5
108.77003	1.6
109.06479	3.1
110.47430	1.6
111.08080	6.9
111.44946	1.9
115.05781	5.1
122.02726	100.0
123.04444	2.3
124.04739	1.7
125.04214	3.4
125.09620	19.5
129.07399	2.2
139.03902	3.9
139.05753	7.6
143.05258	68.5
151.07451	2.2
153.09117	22.5
171.10167	36.5
175.15649	1.5
193.87331	1.7
203.07379	28.4
206.43839	1.7
225.24362	1.6
256.83258	1.6
274.12799	2.9
292.12057	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	291.2681
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03933	3.0
55.01873	11.1
55.05511	36.8
57.03444	13.8
57.07076	11.8
61.09684	2.1
61.22585	2.2
67.05171	3.7
67.05504	48.7
69.03415	4.7
69.06721	3.7
69.07069	51.8
69.95045	11.1
71.04990	3.7
71.08633	4.5
79.05490	36.6
80.92947	2.1
81.03421	3.9
81.07054	100.0
83.04968	7.1
83.08615	27.2
85.06543	12.4
91.05476	29.9
93.07047	47.6
95.04977	18.9
95.08604	91.6
97.06519	7.9
97.10148	8.4
99.08075	4.4
101.49836	2.1
105.07025	35.5
107.04963	6.8
107.08595	42.3
109.06522	33.3
109.09389	2.7
109.10148	49.6
109.10835	4.2
111.08087	11.5
111.11775	5.4
113.05994	5.8
115.05406	4.4
116.67089	2.5
117.07059	10.9
119.08578	23.2
121.06461	4.2
121.10141	32.7
123.04423	15.4
123.08051	4.8
123.11695	37.0
125.09605	5.4
129.06999	5.3
131.08562	18.8
132.08893	2.5
133.06480	3.7
133.10120	12.5
135.08046	34.3
135.11684	18.3
137.02319	6.3
137.09637	6.1
137.13268	21.0
138.14999	2.3
139.03894	20.7
139.11136	3.0
139.91190	2.6
140.04243	2.7
143.08533	6.7
145.10129	9.4
147.04443	5.4
147.08044	5.9
147.11691	9.6
149.09592	9.8
149.13254	20.2
151.14832	6.2
153.12794	2.7
155.08617	2.7
157.10107	5.2
159.11662	5.5
161.09618	12.6
161.13252	8.4
163.11159	2.5
163.14819	14.0
165.05534	3.1
171.11693	2.9
173.09673	2.7
173.13261	3.7
175.11150	3.5
175.14824	6.7
177.16417	10.6
181.04936	19.9
189.16335	3.1
199.14873	3.8
203.17973	4.2
217.15875	13.2
217.19482	3.9
219.13782	3.7
255.17334	4.5
273.18472	17.5
273.25797	10.5
291.19501	29.5
291.26807	34.1
292.19971	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2681
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03936	2.8
55.01855	1.7
55.05270	1.7
55.05511	25.5
57.03422	2.4
57.07074	9.8
59.04987	2.9
67.05508	26.3
67.87435	1.5
69.03422	5.3
69.07068	100.0
70.00114	8.5
70.07342	1.5
71.04958	2.2
71.08637	4.1
79.05498	14.3
81.03413	3.0
81.07057	63.3
82.07391	1.8
83.04970	2.2
83.08615	16.0
84.04490	5.1
85.04814	1.9
85.06533	5.2
86.63000	1.3
91.05476	6.9
93.06480	2.0
93.07050	31.1
95.04985	3.7
95.08607	68.5
96.08923	1.7
97.02927	1.6
97.06544	7.8
97.10146	8.1
99.08093	3.8
105.07046	11.4
107.04970	1.6
107.08592	30.4
109.06505	4.2
109.09465	2.3
109.10157	33.2
110.10439	2.0
111.08091	10.2
111.11722	21.2
117.07021	2.3
119.04863	1.6
119.08584	9.3
121.10153	18.3
123.04411	8.6
123.08055	1.8
123.11713	28.3
125.13245	2.6
131.08595	2.1
133.10123	5.1
134.25153	1.6
135.08038	2.5
135.11688	16.4
137.13260	11.1
139.03894	10.8
139.11186	14.1
141.06989	1.8
143.08585	1.9
145.10124	2.3
147.04384	3.4
147.11673	6.6
149.13268	17.2
151.14842	3.6
153.12721	6.2
157.06477	1.6
161.13234	6.0
163.14815	9.4
165.05530	1.9
167.14377	2.1
175.14804	3.7
177.09125	2.0
177.16400	2.8
181.15634	1.5
182.74574	1.3
189.16350	3.4
191.17912	2.3
201.09024	1.7
203.17928	2.5
205.19534	2.9
217.19542	3.5
228.49213	1.6
273.18607	1.6
273.25751	7.6
285.23047	1.8
291.19806	3.2
291.26819	27.4
292.27115	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2682
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
52.48891	2.1
52.64311	2.4
53.03943	4.6
55.01865	7.8
55.05510	43.7
56.96559	4.8
57.03445	13.7
57.07083	11.5
59.05005	2.4
65.03951	3.2
67.05505	52.5
69.03423	8.0
69.07066	58.4
71.04977	6.2
71.08636	4.4
71.12470	6.1
76.47439	2.2
79.05489	53.1
81.03413	8.8
81.07053	100.0
82.07376	2.2
82.76817	2.3
83.04980	13.6
83.08624	24.3
85.06555	8.1
91.05479	37.1
93.07044	55.7
95.04962	22.5
95.08602	96.0
96.08931	3.2
97.02874	2.5
97.06522	8.8
97.10172	15.3
99.08099	4.0
105.07025	42.5
105.07680	4.0
107.04939	20.9
107.08585	45.3
109.06524	17.8
109.10158	47.4
111.04430	5.3
111.08057	10.9
111.11735	7.6
113.05949	3.6
115.05406	3.0
117.07009	14.2
118.06528	2.1
119.04947	5.1
119.08578	31.7
121.06528	13.3
121.10134	24.4
123.04436	40.1
123.08075	10.5
123.11697	31.2
125.09648	7.0
127.03932	2.7
128.06270	3.2
129.07021	8.3
131.08549	16.2
133.06493	4.9
133.10127	19.9
135.04414	2.4
135.08040	33.5
135.11673	19.9
137.09621	5.7
137.13274	16.9
139.03902	63.6
139.11183	3.7
140.04208	2.5
142.07805	2.6
143.08559	8.8
145.10129	13.5
147.04401	11.9
147.08046	9.9
147.11641	13.7
149.09628	9.3
149.13239	17.5
151.03912	2.3
151.11263	3.7
151.14828	3.2
153.05505	6.8
153.12791	2.9
157.10141	6.6
159.11716	5.7
161.06023	6.1
161.09612	8.0
161.13289	11.1
163.11147	5.0
163.14847	11.6
165.05479	8.2
165.12717	2.3
169.10072	2.9
171.11719	4.0
173.13379	4.0
175.11240	5.9
175.14932	2.8
176.14374	6.5
177.09094	3.4
177.14693	16.2
177.16296	4.9
189.05533	3.3
189.16377	6.9
191.17926	2.4
199.14719	3.3
203.18034	4.1
207.06532	3.9
217.15933	8.9
217.19588	5.5
219.13725	3.4
245.19289	3.3
255.17451	5.7
273.18445	29.1
273.25677	12.1
291.09082	2.5
291.12720	3.1
291.15961	4.7
291.19568	43.9
291.22119	9.7
291.26678	26.3
292.12396	3.2
292.19778	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	291.2681
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
50.97369	0.7
53.03938	1.1
54.68207	0.7
55.05511	10.9
57.03436	2.2
57.07063	4.4
59.05002	1.4
67.05501	7.6
69.03432	2.7
69.07066	100.0
69.38544	4.9
69.38972	1.7
70.07397	0.9
71.04988	0.9
71.08635	2.0
72.36839	0.6
79.05501	3.0
81.03417	1.5
81.07055	22.9
81.07522	1.3
83.04978	1.4
83.08614	5.5
85.06546	1.7
91.05480	2.1
93.07048	9.5
94.92326	0.6
95.08601	21.7
97.06538	5.0
97.10158	7.1
99.08113	1.6
105.07033	2.0
107.08588	7.0
109.06502	0.9
109.10154	9.7
111.08089	1.8
111.11719	24.8
114.06067	0.7
119.08601	2.7
121.10142	12.9
123.11697	10.7
125.09652	0.8
133.10143	1.9
135.11696	2.9
137.13274	5.0
139.11172	20.2
139.12212	1.2
147.04448	1.2
147.11659	1.7
149.13251	4.6
151.14841	1.7
161.13309	1.9
163.14859	2.8
168.90959	0.7
175.14799	1.6
177.16415	1.4
181.15871	0.8
189.16386	1.0
191.17943	1.1
200.37886	0.7
205.19588	0.7
273.25952	2.8
291.26810	12.5
292.27054	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2682
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
55.05510	12.2
55.32230	0.6
57.03429	0.8
57.07085	3.9
59.04997	2.3
63.13877	0.6
65.14651	0.6
65.29088	0.6
67.05505	9.2
69.03423	2.2
69.07067	100.0
69.37671	1.6
69.38080	4.8
70.07384	1.1
71.04981	1.3
71.08634	2.0
79.05509	3.6
81.03445	1.2
81.07053	24.9
81.07523	1.4
83.04980	1.3
83.08618	6.7
85.06547	2.0
91.05501	2.7
93.07034	8.4
95.08602	24.3
97.06525	4.4
97.10171	4.7
99.08092	1.2
100.24590	0.7
105.07056	3.0
107.08583	8.3
109.10155	11.8
110.55157	0.6
111.08115	1.9
111.11718	24.2
113.09641	0.7
119.04961	0.8
119.08611	2.1
121.10149	12.9
123.04448	1.2
123.11690	10.2
133.10168	1.9
135.11708	3.4
137.13252	5.2
139.03932	0.8
139.11176	19.4
139.12196	1.0
147.04359	0.9
147.11722	1.5
149.13261	5.6
151.14789	1.3
153.12730	0.9
161.13316	1.9
163.14824	3.2
167.14452	0.7
167.41852	0.8
177.16447	2.5
179.14392	1.0
179.18085	0.6
191.17953	1.4
195.17574	0.7
203.18025	1.2
217.19553	1.4
273.25906	3.0
291.19775	0.8
291.26807	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	291.2681
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03941	4.3
55.01852	4.5
55.05270	1.9
55.05510	31.4
57.03422	5.2
57.07072	21.4
59.05006	2.2
63.17742	1.6
63.42973	2.0
67.05502	38.1
69.03398	3.4
69.07066	57.7
69.94030	11.0
71.04980	3.5
71.08623	9.8
71.99395	1.7
79.05136	1.9
79.05491	25.3
81.03399	6.4
81.07056	100.0
83.04963	6.0
83.08622	28.0
85.06537	4.3
85.10165	1.8
91.05032	1.9
91.05480	17.3
93.07041	42.8
95.04961	11.4
95.08605	99.9
97.06528	5.9
97.10175	13.6
98.20812	2.3
99.08113	2.1
105.04504	1.8
105.07028	27.4
107.04951	3.4
107.08597	44.3
109.06526	16.3
109.10153	47.4
111.08087	4.7
111.11765	8.4
117.07014	2.9
119.08586	22.4
121.06499	2.4
121.10134	31.7
123.04423	8.0
123.08041	5.0
123.11707	32.0
125.09650	3.1
131.08548	4.0
133.06497	2.5
133.10133	15.6
135.08046	14.2
135.11691	18.7
137.09686	1.9
137.13249	19.7
139.03937	10.5
139.11191	3.6
143.08559	2.4
145.10139	4.0
147.04384	3.5
147.11671	19.9
149.09663	3.7
149.13232	20.9
151.11166	2.5
151.14815	5.0
157.10071	3.5
161.09651	2.0
161.13242	10.4
161.88495	2.5
161.89816	1.8
163.14848	12.4
165.12753	4.8
165.16431	3.4
167.10698	8.1
171.11745	2.1
173.13268	2.1
175.11198	3.4
175.14854	4.4
177.16364	6.9
179.14351	2.7
189.09001	1.8
189.16402	3.5
191.14349	1.9
191.17979	3.2
203.17947	5.4
207.13741	1.9
215.14296	2.3
217.19481	5.2
233.15367	2.8
247.24123	1.9
273.15167	2.8
273.18423	7.0
273.25864	20.2
274.26254	2.1
291.16214	3.0
291.19629	12.9
291.26819	63.1
311.90317	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2316
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
52.18277	2.0
53.03942	6.0
55.05503	21.7
57.15743	1.9
62.82661	2.1
64.68709	2.0
64.97443	1.8
65.07337	1.9
67.05172	3.1
67.05506	42.3
68.02110	2.3
68.55276	2.2
69.07066	17.5
69.34913	21.1
71.85669	1.8
73.06557	2.3
74.07899	2.1
79.05491	79.8
80.38804	2.0
81.07056	56.8
81.07523	4.2
83.05006	2.6
83.08618	8.3
85.06545	3.9
91.05469	26.8
93.07042	100.0
95.04970	10.3
95.08606	35.5
97.10150	4.0
101.93782	2.0
105.07015	20.7
107.08593	63.9
109.06557	2.8
109.10178	14.1
117.07022	3.6
119.08582	18.7
121.10149	47.9
123.11682	3.9
131.08534	7.8
133.10156	13.7
135.11682	55.4
137.09552	2.3
141.61435	2.2
145.10126	5.4
147.11717	11.8
148.12172	1.9
149.09520	2.2
149.13255	37.6
157.10130	3.0
159.11739	5.1
161.13263	8.1
163.11160	3.9
163.14796	8.3
171.11719	3.6
173.13315	3.5
175.14841	4.8
177.12811	3.0
182.41844	2.3
185.13297	2.7
189.12735	2.3
205.39935	2.2
209.15469	2.9
241.19508	6.5
249.18462	4.6
250.29004	2.4
259.20569	8.8
291.20163	1.5
291.23212	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.0
55.05503	20.5
56.35661	2.4
57.07065	3.7
65.03918	3.2
67.05502	46.9
69.07071	17.1
70.01518	11.8
79.05491	69.2
81.07056	54.3
83.08615	8.8
85.06523	5.8
90.46427	2.2
91.05473	30.5
93.07042	100.0
95.04948	10.3
95.08601	28.5
97.06516	3.3
97.10144	3.7
104.96049	2.8
105.07037	16.6
107.08588	59.8
109.06480	4.5
109.10154	16.9
117.07004	6.3
119.08593	13.6
121.10135	41.0
123.04418	4.3
131.08539	8.3
133.10147	15.0
135.08015	5.4
135.11690	61.2
139.03870	9.5
140.12161	2.9
143.08566	2.5
145.10120	6.8
147.11705	13.5
149.09613	2.9
149.13264	30.8
159.11638	4.7
161.09579	2.8
161.13243	6.7
163.11180	4.3
163.14810	11.2
171.11713	4.3
173.13173	3.3
175.14819	2.5
177.12762	2.6
185.13203	2.9
187.12856	2.1
191.11397	2.2
205.08577	3.9
223.09772	5.2
241.19516	5.5
249.11285	2.9
249.18495	2.8
259.20529	6.0
291.19559	7.1
291.23102	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
55.01855	12.3
55.05502	27.6
56.96558	9.8
57.03437	100.0
62.29212	5.7
67.05508	82.8
69.03423	7.4
69.07091	16.8
70.87254	7.4
70.87615	18.3
76.71562	5.7
79.05494	59.5
81.07058	56.5
83.04962	7.2
83.08624	17.8
85.06538	24.0
90.49213	6.6
91.05487	88.0
93.07050	57.6
95.04980	22.9
95.08628	35.3
97.06540	8.6
97.10181	11.2
105.07039	53.3
107.04974	26.1
107.08599	28.9
109.06513	51.3
109.10114	10.6
110.86391	5.9
111.08092	10.0
117.07020	48.1
119.08584	33.0
121.06520	13.3
121.10137	13.5
123.04472	9.8
128.06299	7.4
129.07027	28.0
130.07834	9.4
131.08546	47.0
133.10136	21.4
135.08028	38.8
135.11661	7.7
139.03912	10.2
143.08594	23.9
145.10092	37.3
147.08080	31.8
149.09645	16.0
153.17203	6.7
155.08540	8.5
157.10179	28.5
159.11716	13.1
161.09610	12.7
165.05553	5.7
171.11673	10.6
173.13251	7.5
175.11206	9.1
199.14711	11.8
201.12665	15.5
217.15913	50.2
219.13855	6.6
255.17717	13.9
263.00772	14.8
273.18536	50.5
291.19534	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03936	7.6
55.01868	26.5
55.05511	68.4
57.03436	7.1
59.05013	5.5
61.83716	5.1
67.05504	50.2
69.03426	6.1
69.07056	24.9
70.83810	14.7
79.05495	74.4
81.03412	7.5
81.07056	77.8
81.84102	4.7
83.04993	15.2
83.08622	20.7
91.05477	94.9
93.07038	53.4
95.04953	24.1
95.08585	17.8
97.10175	34.8
105.07017	38.3
107.04948	19.4
107.08570	26.7
109.06495	8.3
109.10152	13.2
113.30182	5.8
115.05474	7.0
117.07008	35.3
119.08580	78.9
121.06498	21.5
121.10136	14.1
123.08039	7.4
125.09656	26.1
129.06993	15.5
131.08527	33.0
133.06433	13.2
133.10092	10.3
135.08049	26.3
137.09621	5.0
137.25893	5.5
143.08582	18.7
145.10114	43.0
147.08046	65.5
147.11687	8.5
149.09573	10.7
151.07559	11.1
157.10135	14.1
159.11670	11.6
161.09657	16.5
171.11707	8.2
185.13315	5.8
189.11221	12.8
190.61543	5.4
207.13815	9.6
231.12991	4.8
237.16255	6.2
245.18961	5.9
249.14984	12.2
255.17310	11.0
257.20807	5.1
273.18506	100.0
291.19571	81.3
291.27106	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	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
50.04449	0.8
53.03933	2.4
55.01870	19.9
55.05508	6.5
56.02547	0.9
56.05028	2.4
57.03439	14.5
57.05370	1.2
57.07075	2.7
60.60578	0.9
64.90579	0.8
65.03941	2.4
67.05504	21.1
69.03426	2.0
69.07065	4.1
70.76533	2.6
71.04980	1.7
71.08654	1.0
74.06072	1.9
79.05496	37.1
79.05961	2.0
81.06582	1.2
81.07059	14.3
83.04980	1.5
83.08616	3.2
85.06540	2.5
88.07624	6.1
89.07956	2.3
91.05477	26.5
93.07042	18.3
94.04185	0.9
95.04974	19.0
95.08601	7.8
96.10477	0.8
97.06541	1.8
97.40645	1.0
103.05453	1.1
105.07026	16.9
107.04964	11.5
107.08592	23.1
109.06516	61.1
109.10162	2.2
111.08091	2.2
115.05457	2.6
116.06197	1.0
117.07011	11.0
118.08658	1.3
119.04954	0.9
119.06046	1.1
119.08542	6.3
121.06500	2.9
121.10151	3.5
123.08094	2.4
128.06235	2.1
129.07001	6.6
131.08568	14.9
133.06528	1.3
133.10086	4.4
135.08055	100.0
135.11714	2.9
137.09660	1.1
142.07796	1.6
143.08542	7.1
145.06500	1.1
145.10118	7.3
147.08072	3.1
147.11676	1.4
148.08701	0.9
149.09656	5.7
149.13254	1.7
155.08437	0.9
157.10150	5.0
159.08028	2.1
159.11697	4.1
161.09607	7.7
163.11174	1.8
169.10118	1.4
171.11691	2.8
173.13191	2.4
175.11203	1.8
177.12758	2.6
183.11720	1.1
185.13298	2.1
189.12715	1.1
199.14839	2.7
201.12724	2.4
217.15913	17.8
218.16122	0.9
227.18001	1.8
237.16399	1.7
243.25098	7.1
245.19008	1.8
255.17462	2.6
273.18494	16.1
273.21240	1.4
289.66129	1.1
291.19553	27.6
291.27234	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	291.1957
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03934	4.1
54.86282	2.0
55.01873	3.9
55.05511	11.7
67.05518	12.7
69.07080	5.0
71.58102	3.6
79.05502	11.4
81.07070	13.2
83.08604	3.9
91.05473	11.3
93.07046	9.4
95.04967	5.7
95.08575	8.6
97.06545	2.6
97.10166	4.0
102.29215	2.4
105.07017	6.2
107.04963	5.9
107.08582	8.7
117.07015	6.5
119.08586	7.6
121.06528	2.5
123.04426	5.8
123.08038	3.1
125.09649	3.8
131.08543	5.2
133.06450	3.5
135.08038	5.8
139.03889	6.8
145.10129	4.9
147.08057	5.3
159.09258	2.6
161.09644	3.0
165.09114	3.3
223.13269	2.7
249.14951	3.2
273.18503	8.2
291.12863	4.1
291.19559	100.0
291.22916	5.4
291.26865	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
55.05500	3.8
56.76435	2.0
57.07069	4.2
59.05004	2.9
66.77282	1.6
67.05492	3.9
69.03423	2.6
69.07043	2.6
70.83477	2.5
70.83815	2.3
71.04973	1.9
79.05473	5.7
81.07050	8.9
83.08610	4.2
85.06526	3.2
91.05465	6.2
93.07053	9.4
94.96558	1.5
95.04942	2.9
95.08607	15.1
97.06532	3.8
105.07021	12.6
107.04958	2.3
107.08585	5.7
108.27095	2.0
109.06503	8.0
109.10149	3.0
111.08089	25.8
117.06973	1.9
119.08563	8.4
121.06487	3.7
121.10146	7.7
122.07288	1.6
123.08060	36.6
129.06950	1.5
131.08566	5.4
133.06482	3.0
133.10124	5.4
135.08020	4.6
135.11702	3.7
137.09598	1.7
139.03905	2.6
143.08566	1.8
145.10112	9.9
147.08043	3.2
147.11693	2.9
149.09622	5.3
151.07539	100.0
152.07881	1.8
156.09360	1.9
157.10110	5.0
158.99971	1.5
159.08051	1.9
159.11687	2.3
161.09601	3.6
163.11107	2.7
171.11673	4.5
173.09726	1.7
173.13203	3.9
174.10457	1.9
175.11096	2.6
179.10652	3.5
187.11124	3.7
187.95967	1.6
189.12735	31.0
191.14275	4.2
192.11404	4.0
197.11758	8.7
207.13797	63.1
207.15749	3.7
215.14391	2.1
227.98018	1.6
233.15347	8.6
273.18518	6.5
291.19522	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	291.1954
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03933	0.9
55.01875	2.7
55.05268	0.7
55.05510	8.4
57.03416	0.5
57.07067	0.4
65.03926	0.6
67.05503	6.1
69.03415	1.2
69.07069	3.8
69.24496	3.5
69.24915	0.7
71.04985	0.6
78.33028	0.4
79.05490	7.5
81.03403	1.1
81.07056	7.7
83.04964	1.6
83.08607	3.7
85.06535	0.7
91.05476	7.6
91.71484	0.4
93.07044	6.6
94.04163	0.4
95.04964	4.0
95.08585	3.5
95.13406	0.4
97.06536	0.8
97.10168	3.1
103.05482	0.5
105.07027	7.5
107.04960	2.6
107.08591	3.6
108.05693	0.5
109.06506	1.1
109.10146	1.1
113.99715	0.3
115.05444	0.8
116.06174	0.7
116.76611	0.3
117.07032	3.3
119.04940	1.9
119.08578	5.1
120.05710	0.8
121.06494	2.0
121.10127	1.5
122.22552	0.3
123.04408	0.9
123.08046	1.0
125.09613	1.1
127.11069	0.3
128.06227	0.5
129.06981	2.5
130.07808	0.6
131.04906	0.4
131.08542	3.9
133.06493	4.4
133.10107	1.5
134.07260	1.1
135.08066	1.8
135.11682	0.4
137.09576	0.4
139.03886	1.3
140.68532	0.4
142.07730	0.4
143.08533	1.3
145.06468	0.6
145.10130	2.8
147.08037	4.1
147.11661	0.6
149.09590	1.2
157.10130	1.3
159.11687	0.5
161.09650	1.0
162.10410	1.3
163.11156	1.1
165.09070	0.6
169.10135	0.4
171.11671	0.6
175.11186	0.9
185.70924	0.4
189.11269	0.4
217.37669	0.4
223.13249	0.8
245.18980	0.4
249.14728	2.2
262.15332	0.4
273.18518	2.4
291.19531	100.0
292.19839	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03939	5.4
55.01874	19.0
55.05299	1.6
55.05514	17.9
57.03444	17.1
58.80218	1.8
65.03939	5.3
67.05508	62.3
69.03412	6.6
69.07079	8.9
69.93192	7.0
69.93603	2.8
71.04971	2.5
79.05060	3.2
79.05495	50.4
81.03413	2.9
81.07063	38.0
83.04990	8.0
83.08595	5.4
85.06537	3.3
91.05485	41.7
92.40570	1.6
93.07045	28.5
93.47023	1.6
95.04972	91.1
95.08604	15.6
97.06520	5.9
97.10168	2.3
105.07034	28.3
107.04964	24.7
107.08602	28.3
109.06519	67.0
109.10177	4.2
111.08113	2.5
115.05465	3.5
117.07020	16.9
119.04974	1.8
119.08579	9.5
121.06502	7.9
121.10150	7.4
123.04347	2.1
123.08074	4.3
128.06161	2.1
129.07043	8.6
130.07761	2.2
131.08560	17.3
133.06480	5.1
133.10130	7.7
135.08058	100.0
135.11688	6.7
137.05917	1.8
143.08516	9.5
145.10133	12.4
147.08005	8.7
147.11775	3.9
149.09621	10.6
149.13277	3.7
157.10118	7.6
159.08104	2.3
159.11699	4.8
161.09622	10.2
163.11197	2.4
171.11725	3.4
173.13287	2.4
175.11200	4.3
187.11118	2.4
189.12769	1.7
195.11734	2.8
199.14830	2.4
201.12718	2.2
205.12166	2.3
217.15933	14.0
227.17981	2.3
245.19026	3.8
255.17509	2.9
273.18506	24.5
291.19547	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	291.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
55.01859	1.8
55.05494	1.0
56.05029	0.9
56.96294	1.3
56.96563	22.2
57.03431	4.5
57.97875	0.8
58.06590	0.8
58.99849	0.8
61.02915	2.5
67.05492	1.2
67.18375	0.8
68.05014	1.3
69.03421	7.4
70.06586	2.0
70.98111	0.8
71.01314	1.4
71.04990	2.1
71.52332	1.3
71.95239	1.0
72.08145	1.2
73.02911	4.0
73.43056	0.8
76.49869	0.9
81.03407	3.4
82.06594	1.1
83.04978	1.2
84.04491	1.3
84.08141	14.9
84.96019	2.1
85.02901	11.8
86.06062	1.1
87.04459	1.8
94.03871	0.9
97.02889	9.0
98.03143	1.0
98.06053	1.8
98.09688	1.7
98.97582	66.7
99.04431	1.6
100.07629	1.1
101.00892	6.1
101.02401	1.0
103.02437	2.4
106.02901	1.0
108.91728	0.8
109.02888	2.1
110.09669	0.9
110.97563	2.1
111.05576	1.4
112.05099	2.1
112.99113	4.7
113.00870	1.7
113.03493	1.6
115.02406	1.0
115.03979	1.4
115.08673	1.8
115.97849	2.1
116.07031	0.8
116.10708	1.5
116.98614	56.8
119.01919	32.6
119.02637	0.9
120.02039	1.9
121.01668	4.9
121.03505	1.8
124.99100	1.1
127.03896	3.0
128.98596	5.2
129.06583	6.9
129.10194	1.0
130.08627	3.1
130.12286	0.8
131.00206	9.7
131.01892	19.0
133.01671	1.5
133.03458	5.3
133.04997	0.9
134.99649	29.1
135.03201	2.3
135.05045	1.0
137.02939	11.5
138.05478	1.1
139.02568	1.8
140.00183	2.2
143.00182	2.3
143.01894	7.5
145.01700	2.5
145.03435	5.6
145.04977	1.3
146.99634	4.6
147.03210	1.0
147.05035	10.4
149.01210	10.0
149.02933	4.9
151.02663	1.4
151.04514	1.6
153.00668	4.7
155.01949	5.3
157.03473	3.3
158.99644	4.9
159.05058	2.7
161.01250	5.0
161.02948	39.5
162.99084	1.1
163.02710	4.0
163.04420	2.5
165.00731	1.0
165.06093	9.1
167.02155	1.6
169.04407	3.9
170.08212	1.3
170.99632	2.3
171.05051	3.2
173.01234	42.0
173.02946	14.8
175.02773	2.7
175.04506	3.9
177.00726	11.1
178.04916	23.3
178.55054	3.1
179.04002	2.7
180.04503	1.0
180.54839	1.7
181.03870	1.0
183.04935	1.0
184.04504	1.7
185.01421	1.5
185.02887	6.8
185.06636	1.5
187.04494	1.5
189.00684	6.5
189.02263	1.2
189.04437	1.5
189.06097	10.8
189.55792	1.3
191.02283	53.1
191.03958	4.9
193.07355	1.1
195.01799	2.5
196.04552	1.0
196.54713	3.7
200.02290	1.1
201.00673	2.0
201.04289	1.7
201.06062	12.7
203.02275	4.4
203.04050	6.9
203.07628	4.4
205.00137	1.5
205.02016	1.1
207.01735	3.0
208.05487	1.1
209.03334	3.1
209.12891	1.1
213.06134	2.4
214.03873	3.4
215.04021	1.0
219.01714	5.5
219.05161	1.0
219.07120	3.5
221.03281	2.8
221.05109	6.9
223.01176	1.8
225.05997	3.7
229.15538	1.3
231.07175	3.3
233.03232	1.4
233.08636	1.3
237.02802	10.3
245.05029	2.4
249.02727	2.4
255.03870	1.0
261.08292	1.9
267.00317	1.6
267.03845	4.1
279.03812	0.9
291.03818	4.5
291.10562	100.0
291.15762	2.4
292.10312	1.5
309.04837	3.4
309.08157	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0974
Annotation	N2-Malonyl-D-tryptophan
Peak:m/z	Relative Intensity
56.96552	5.3
60.73171	1.5
65.03941	2.9
67.05489	4.9
68.99789	2.9
69.07072	2.0
70.75184	5.0
74.97569	2.0
83.04984	1.5
87.00861	1.6
88.03969	2.5
91.05479	2.3
93.03397	3.6
103.51664	1.5
105.72432	1.5
111.04424	3.6
115.05444	6.3
118.06532	11.6
119.04929	5.2
123.04430	11.9
129.06920	1.8
130.06525	100.0
131.06883	1.8
132.08092	34.6
136.06146	13.7
139.03902	83.2
142.06514	11.9
143.07214	2.3
144.08102	6.8
146.06004	16.7
147.04390	10.6
148.06169	3.4
153.05507	2.8
156.03018	1.7
156.08081	2.9
156.33328	1.7
157.07614	4.7
158.05988	2.4
158.08360	5.1
159.09172	82.7
160.07587	5.9
160.09509	2.4
165.05472	15.1
169.07605	1.9
170.06012	35.1
172.07626	1.7
174.03943	2.1
177.02243	4.9
181.07651	2.4
183.09151	5.4
184.07585	13.4
185.07089	35.4
187.08643	2.9
188.07071	35.7
195.03288	6.8
200.06996	8.0
201.10280	10.7
209.07086	2.1
218.79095	1.6
223.09322	4.3
227.08153	39.4
229.09720	1.9
231.07692	3.3
235.09508	3.8
241.03737	2.0
245.09230	55.3
246.09370	1.6
255.07576	3.2
273.03934	1.9
273.08850	7.5
291.08942	2.6
291.15689	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	291.0973
Annotation	N2-Malonyl-D-tryptophan
Peak:m/z	Relative Intensity
56.96558	8.4
60.40688	2.3
66.63392	2.5
70.73802	6.5
70.74160	4.4
81.07057	2.4
85.51026	2.4
87.00802	3.3
91.05466	3.4
105.07014	4.2
115.05484	6.2
118.06531	15.5
119.04934	2.8
123.04440	12.1
129.07019	3.5
130.06523	98.4
131.89058	2.5
132.08096	40.8
139.03902	19.7
140.84274	2.7
142.06526	11.5
146.06012	18.6
147.04391	6.3
156.08107	5.3
157.07603	6.6
158.05908	2.8
158.08409	5.2
159.09178	100.0
160.07596	7.6
160.09479	3.8
167.06175	3.0
169.07628	3.5
170.06000	45.1
177.02327	5.1
183.09216	6.4
184.07623	22.0
185.07094	50.6
187.08640	4.6
188.07057	45.3
188.08601	4.6
188.10635	3.0
195.03281	14.7
199.08803	4.1
200.07089	8.6
201.10228	13.2
214.73947	2.7
221.22748	2.7
227.08160	43.2
241.03876	4.5
243.46124	2.6
245.09239	73.5
255.07623	4.4
259.22388	2.5
273.08655	8.0
291.09204	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96573	1.2
67.24712	1.3
70.37299	5.6
79.98371	1.0
81.01784	1.2
87.00841	1.5
91.05470	1.5
91.40907	1.6
100.55014	1.2
115.05438	7.4
117.05758	2.6
117.07021	1.3
118.06532	13.9
123.04437	2.1
129.07028	2.4
130.06525	100.0
131.06847	1.4
132.08090	41.9
139.03922	1.9
142.06511	12.3
144.08060	4.8
146.06007	20.7
154.50038	1.3
156.08072	3.4
157.07578	5.4
158.05983	2.9
158.08374	4.3
159.09180	91.5
160.07613	8.0
160.09521	2.2
164.13426	1.3
167.06076	2.7
167.56931	1.4
169.07613	2.3
170.06021	37.2
172.07587	2.1
174.03978	1.9
177.02173	2.0
181.07565	3.7
182.06004	1.5
183.09222	6.1
184.07579	18.2
185.07103	44.4
187.08665	4.7
188.07063	43.7
195.03270	3.0
199.08701	1.8
200.07112	9.9
201.10207	12.3
206.73167	1.3
209.06995	2.4
227.08154	45.0
229.09702	3.1
231.07652	3.7
245.09227	66.8
255.07588	4.1
273.08710	6.9
291.09222	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34617	0.5
56.96554	0.9
58.99865	1.1
65.07381	0.4
69.03428	1.1
71.03329	1.0
77.00920	0.8
81.03426	0.6
82.99876	2.2
84.08145	2.4
85.02899	1.1
86.99307	1.0
94.35590	0.5
94.99831	0.6
97.02888	1.8
98.97562	0.5
101.00204	0.9
101.00875	19.1
103.02396	0.7
105.00362	1.9
109.02850	0.9
113.00862	4.4
115.02425	1.7
119.01919	76.6
120.02003	1.8
121.02388	0.6
121.03524	0.7
127.02345	0.9
130.08615	0.8
131.01904	37.2
132.01968	1.0
133.03471	3.6
137.02962	17.3
138.03036	0.8
142.03473	1.5
143.01892	21.4
145.03448	7.9
147.01416	0.6
147.05006	1.3
149.02953	8.4
151.66566	0.5
154.03453	0.8
155.01884	10.1
157.03468	7.1
159.01376	1.2
159.05000	1.0
161.02953	100.0
162.03044	2.6
163.04543	2.3
166.86989	0.5
167.01874	2.3
169.03430	0.9
171.05040	1.6
173.02957	32.0
174.03140	1.0
175.04512	5.7
179.04007	4.6
184.04568	2.6
185.02966	15.1
185.04602	1.1
187.04521	3.5
189.06099	4.8
191.04015	11.8
193.34291	0.5
196.04527	0.6
197.02963	3.5
201.06110	4.5
203.03999	15.7
203.07599	1.9
213.05945	1.2
215.04010	1.6
219.07115	8.0
221.05023	2.4
227.04025	0.9
231.07083	2.7
245.05055	5.2
249.08147	0.6
261.08121	0.8
263.06119	1.6
291.09210	55.9
291.16330	1.3
292.09467	1.8
292.86334	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.086
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
55.01863	1.8
55.47566	0.7
60.55985	0.8
65.03936	0.9
67.05500	2.1
68.99798	2.2
71.31648	1.6
77.03905	0.7
83.04955	2.3
90.04472	0.7
91.05466	2.4
91.29218	0.8
91.72869	0.7
93.03395	1.0
95.04971	3.7
99.04473	0.9
105.03336	1.2
105.06999	0.8
111.04433	3.7
115.05440	2.1
119.04926	7.9
123.04424	70.6
125.31744	0.7
127.03951	0.9
130.06470	0.9
133.06441	0.9
137.02342	1.5
137.05956	0.9
139.03896	100.0
140.04137	0.8
143.04942	2.4
147.04408	22.2
148.29079	0.7
151.03925	2.2
154.07834	1.0
161.05977	9.6
163.03911	2.4
165.05476	13.1
177.05461	1.2
179.07076	3.9
181.04971	1.4
189.05406	2.2
194.03609	0.7
207.06552	6.1
243.71291	0.9
249.07777	1.1
251.11815	0.8
273.07565	0.8
291.08707	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.2
57.03019	0.6
65.03930	1.1
67.05499	1.4
68.99783	2.5
70.93115	1.1
70.93491	1.2
74.18061	0.5
77.03915	0.6
78.00665	0.5
79.59107	0.5
82.19036	0.5
83.04971	1.7
91.05470	2.3
93.03384	0.9
95.04979	3.3
105.03467	0.7
111.04447	4.0
115.05452	1.8
119.04950	7.8
121.02837	0.6
123.04425	65.2
123.53763	0.6
124.04758	0.8
127.03896	1.6
130.06540	1.1
131.62407	0.6
133.06444	1.0
135.04448	0.8
137.02293	1.0
139.03897	100.0
140.04248	1.7
143.04910	2.7
146.06027	0.7
147.04404	24.0
151.03903	2.4
159.09177	1.3
161.05974	7.3
163.03874	2.0
165.05473	13.2
169.04982	1.8
170.05940	0.7
177.05489	1.1
179.07036	2.6
181.05185	0.6
185.07153	0.9
189.05510	2.1
207.06534	6.0
227.08252	0.8
245.09187	1.1
249.07616	1.2
268.31146	0.6
273.07684	0.8
291.08517	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	291.0861
Annotation	(2R-cis)-2-(2,5-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
Peak:m/z	Relative Intensity
50.92090	0.7
52.60559	0.7
55.01846	1.7
55.05495	0.8
57.07058	0.8
62.29484	0.8
67.05492	2.2
68.99777	2.3
71.01384	0.8
71.56752	1.4
73.54552	0.8
81.03400	0.9
83.04987	1.8
91.05463	2.8
95.04975	3.8
98.97585	0.9
107.04938	1.5
111.04438	3.4
115.05445	1.7
116.98597	0.8
119.04921	5.3
123.04427	71.4
127.03938	1.9
131.04959	1.0
133.06525	1.0
135.04434	2.3
137.02362	2.8
139.03899	100.0
140.04248	1.4
141.65846	0.7
143.04912	3.4
147.04410	25.7
150.02397	0.8
150.92873	0.8
151.03909	2.3
151.07489	0.9
153.05515	1.3
157.06461	0.9
157.07648	1.1
159.09175	0.9
160.05251	0.7
161.05965	7.6
163.03911	2.7
165.05476	12.8
169.04955	1.9
177.05396	1.1
179.07051	3.1
181.04962	0.8
185.06056	0.8
189.05478	1.0
199.12199	1.4
202.10785	0.9
203.03328	1.1
207.06540	6.3
214.10838	0.8
231.02847	1.7
234.43758	0.8
245.07861	1.0
245.12863	1.4
249.07617	1.2
273.07651	1.1
273.12314	6.3
291.08591	3.4
291.13437	5.3
291.19626	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0862
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
51.22251	0.4
53.03940	0.5
55.01640	0.4
55.01866	2.4
63.83954	0.5
65.03917	0.9
67.01868	0.6
67.05493	1.5
68.99787	2.2
69.03439	0.6
69.10554	0.5
70.17995	0.8
70.18401	1.7
83.04978	1.8
85.02874	0.6
91.05492	2.4
93.03397	1.4
95.04962	3.6
97.02889	0.4
98.21413	0.6
105.03341	0.7
105.07031	0.6
107.04997	1.1
111.04429	4.1
115.05460	1.3
118.27952	0.4
119.04932	7.2
123.04424	71.9
124.04737	1.1
127.03915	1.5
133.06526	0.9
135.04391	0.6
137.02341	1.4
137.05945	0.9
139.03893	100.0
140.04233	2.3
143.04932	3.3
147.04401	23.3
151.03876	2.2
153.05376	0.7
161.05980	8.4
163.03886	2.7
164.14430	0.5
165.05476	13.8
165.06891	0.7
166.05678	0.5
169.04947	2.0
177.05496	1.3
179.06987	3.0
181.05014	0.9
189.05499	2.0
205.08664	0.6
207.06544	8.1
249.07526	1.1
273.07501	1.3
273.12173	1.0
291.08749	3.3
291.13501	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.084
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	44.0
58.68558	7.6
60.86350	7.2
69.45784	7.9
69.84544	47.6
77.06606	7.1
80.14743	6.6
84.08127	30.1
84.96005	9.4
85.02881	10.2
85.19234	7.4
98.20995	20.3
98.97566	51.7
116.10738	10.6
116.98616	35.4
119.01914	15.5
121.01712	8.7
133.03477	11.0
134.99649	10.0
143.00183	7.1
147.05069	10.0
161.01233	15.0
161.02968	14.0
173.01221	19.2
173.02896	7.6
177.00687	12.1
177.02470	7.7
182.48346	6.9
189.00607	9.4
191.02290	27.0
191.03899	7.8
291.10770	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00827	1.6
55.01874	2.6
55.05497	6.6
56.96296	3.0
56.96563	49.8
57.03428	2.7
57.07053	2.7
65.03927	2.6
67.05510	10.8
69.07080	9.7
71.03621	2.1
71.03936	3.8
71.95235	1.9
79.05473	7.5
81.03385	1.9
81.07056	14.7
83.08624	2.0
84.96047	2.9
88.06846	1.9
91.05479	9.4
93.07032	8.5
95.04941	2.0
95.08605	13.6
97.10149	2.8
98.97581	96.4
105.07024	6.6
107.04944	2.9
107.08591	8.0
109.06502	4.7
109.10154	12.4
110.97570	2.4
116.98616	100.0
117.07027	3.7
119.08559	6.3
121.10136	5.0
123.04405	6.3
123.11691	4.6
124.99151	2.5
128.06180	2.3
128.98587	5.7
129.06993	8.0
130.06543	3.0
131.00134	2.8
131.08548	3.7
133.10068	3.0
134.99657	66.4
135.08051	4.5
135.11673	4.3
137.09546	1.7
139.03880	8.2
140.00163	4.9
140.98579	4.6
143.00137	13.2
145.10124	4.3
146.99631	6.8
147.04425	2.7
147.08015	2.8
147.11636	2.5
149.01160	5.3
149.09628	4.5
149.13210	5.3
153.00684	11.4
157.06499	5.7
158.01242	7.6
158.99663	11.3
161.01224	50.6
161.05969	2.1
165.00688	1.8
167.04883	2.4
170.05992	2.6
170.99646	7.6
171.11780	2.1
174.99149	8.4
177.00711	23.2
179.02284	16.0
182.99632	6.3
184.02898	3.9
184.38475	2.0
187.07527	2.4
189.00710	33.1
189.09033	3.9
191.02113	2.2
193.00172	4.1
195.01785	9.5
199.07613	4.1
201.00676	37.8
207.01729	12.7
211.14761	2.0
212.02274	3.7
213.00929	3.7
217.08638	4.7
219.01772	37.9
224.02217	4.2
231.01723	2.4
231.08034	2.3
237.02876	3.9
242.03383	5.4
245.07887	10.8
248.08371	2.3
249.02849	23.4
255.17511	2.2
267.03854	15.1
272.04453	3.2
273.18588	4.7
291.08691	6.6
291.12866	3.7
291.19360	10.9
291.26801	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	291.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	100.0
63.42654	1.1
69.03425	1.7
71.57381	1.4
71.95260	2.2
74.97608	2.3
84.08127	3.3
84.96023	6.1
85.02921	1.2
97.02888	1.8
98.97578	56.1
101.00867	1.8
110.97566	1.8
112.99107	2.6
115.02427	1.2
116.98613	55.9
119.01904	11.1
123.01205	1.2
124.99119	8.3
127.00700	3.3
128.98593	4.3
131.00162	6.2
131.01929	2.2
133.03441	3.6
133.72649	1.1
134.99654	37.7
135.33272	1.2
137.02933	4.5
139.00684	1.2
140.00087	1.5
141.02235	2.3
143.00156	41.8
143.01869	2.0
145.01746	2.8
145.03462	2.6
146.99686	5.8
149.01155	5.6
152.98619	3.1
153.00693	9.5
157.01733	3.4
157.03468	1.5
158.01242	2.1
158.99655	2.8
159.03275	7.1
161.01216	69.3
161.02896	3.9
162.99155	2.4
165.00713	2.0
167.00235	1.3
169.00294	1.7
169.01714	4.2
170.99666	17.3
173.01207	13.3
173.02911	3.6
174.88472	1.2
174.97630	1.3
174.99107	1.8
175.02902	1.9
175.04419	1.8
177.00780	8.3
177.04306	3.3
179.02277	11.0
181.00188	1.6
184.02794	2.3
185.01231	17.7
185.02794	2.1
186.99132	2.2
187.02774	9.5
187.99258	1.6
189.00716	52.1
189.02277	2.0
190.00955	1.2
190.95396	1.5
190.98822	1.3
191.02281	14.5
192.98659	2.5
194.01418	1.7
197.97890	1.6
201.00829	2.5
201.50906	1.3
203.02284	23.8
203.04016	2.6
204.98526	2.4
205.00244	7.7
205.03867	2.2
207.01801	12.7
212.02411	1.9
213.00751	13.2
219.01819	5.7
219.03586	2.9
221.01509	1.8
221.03323	4.9
223.01332	2.7
225.99734	1.7
226.03801	1.4
230.51627	2.0
231.01727	28.0
231.03860	1.6
239.06178	1.6
245.03185	1.8
247.01256	1.8
249.02792	36.1
250.97498	1.3
260.99786	1.4
263.04099	2.6
267.01318	1.9
267.03909	19.7
267.98691	1.3
269.52731	2.1
272.04544	2.3
273.02756	5.4
278.52820	1.4
278.96793	1.8
285.04886	10.6
291.03760	26.3
309.04883	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.9471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50308	2.7
56.96563	27.0
57.93556	8.7
65.56701	2.8
71.27000	5.8
72.93759	3.0
91.90932	3.0
98.97574	52.3
98.98495	2.8
116.98609	68.6
117.98921	4.6
119.01900	4.6
134.99652	100.0
136.00072	3.8
140.00165	3.2
150.96959	4.0
153.00711	22.6
158.01343	6.6
159.09486	2.8
161.01259	3.8
161.32133	2.6
182.88927	4.3
197.87460	4.1
206.92603	4.6
213.96219	3.7
215.88312	3.7
224.89838	6.1
240.90886	4.7
242.90976	63.4
243.91130	4.6
244.90746	4.3
257.89703	9.0
265.92484	3.7
266.91000	11.2
281.89636	13.3
284.92065	29.1
285.91708	9.6
286.91159	12.9
290.94681	33.3
299.90726	11.0
308.92102	17.3
308.95837	10.3
309.04782	3.5
313.96222	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	290.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.4
56.96556	1.9
57.03410	1.2
57.07077	8.3
61.09607	1.1
67.05502	3.4
68.99786	1.6
69.07074	7.0
70.06595	18.6
71.08632	1.6
71.12346	1.5
71.12679	2.5
73.02914	2.7
73.06545	2.8
79.05486	2.4
81.03365	1.3
81.07053	2.5
83.04977	1.3
84.04498	12.0
84.08166	1.8
85.02912	2.3
85.10161	1.2
88.07616	15.1
91.05486	2.5
93.07031	3.1
95.08595	1.3
101.06029	1.2
102.09228	1.4
103.03968	1.9
105.07033	2.5
106.08654	1.7
107.04932	1.8
107.08516	1.3
109.02873	1.4
109.10217	1.3
114.07242	1.9
114.09169	3.9
117.06971	1.3
117.13755	1.1
118.06542	14.8
118.08614	2.1
118.46920	1.3
123.04434	1.7
126.05518	2.8
131.08577	1.2
132.08124	3.6
132.10199	19.9
133.08900	2.2
135.08089	1.1
139.03877	3.2
143.98978	1.1
146.09647	4.8
150.11250	15.6
160.11330	1.4
176.14340	65.2
177.14661	1.9
228.23230	1.9
231.08180	1.7
246.24316	5.0
290.21201	100.0
290.26898	89.2
290.30295	2.3
291.10223	2.7
291.21497	3.8
291.26932	1.3
303.03915	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60630	0.7
53.03947	1.3
55.05493	1.4
56.05043	3.7
56.96555	1.4
57.03426	3.2
61.02904	2.9
61.26949	0.8
65.03913	0.8
68.99789	6.3
69.03413	1.9
70.06580	1.8
70.18716	3.7
70.19075	1.4
72.04493	1.3
73.02900	2.8
81.03401	3.0
84.04502	100.0
85.02899	16.1
85.04823	1.1
87.00819	7.3
87.23972	0.7
96.04478	3.3
97.02887	4.8
98.06036	5.2
99.04462	1.8
103.03934	15.6
105.01839	3.1
107.04926	1.0
108.04469	3.8
108.05189	1.2
109.02872	3.8
110.06048	1.0
110.36980	0.7
111.04427	2.6
111.23268	0.8
112.04765	0.8
121.06483	1.2
123.04436	5.0
124.04730	1.9
126.05511	30.1
127.03879	4.4
127.41194	0.8
129.01855	4.9
130.06493	1.5
135.04405	4.9
136.04742	6.5
139.03859	4.6
140.04225	3.4
147.02882	3.6
147.04248	0.8
151.03883	2.0
152.04243	1.7
153.01881	0.9
156.06522	1.7
157.06453	1.0
159.09178	1.3
163.03987	1.1
164.04184	0.9
168.06560	10.8
171.02879	1.9
174.74138	0.7
186.07581	3.5
189.03909	4.9
204.08636	3.8
225.16356	1.0
272.07565	3.4
290.08786	9.8
291.10245	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	12.4
55.01872	13.0
56.96572	100.0
57.03439	27.3
60.05653	11.0
61.02913	17.6
67.05515	10.6
69.03429	30.4
69.76797	15.4
69.77208	42.5
70.06588	35.2
71.04996	24.1
71.06937	9.6
73.02914	22.6
74.97635	23.0
81.03432	18.0
82.06552	17.4
84.08149	15.4
84.96040	17.0
85.02882	52.1
93.89537	9.9
97.02900	40.4
97.47574	8.2
98.21425	15.8
98.97575	94.1
100.07626	24.2
100.11248	93.1
106.63206	8.7
114.06678	9.7
116.98636	81.9
119.01912	54.9
120.01978	69.5
121.01652	10.3
130.01877	8.7
130.06531	22.3
131.00226	16.9
131.01895	11.1
131.06883	35.9
132.98103	10.0
134.03577	14.1
134.99629	78.9
137.03004	12.7
138.03044	20.7
145.03438	11.3
146.99670	14.5
149.01192	19.7
150.99110	42.0
153.00706	11.9
155.19102	8.9
157.07597	16.6
158.06018	17.1
158.07956	52.8
158.09106	10.3
158.99681	17.6
159.06335	43.0
159.09091	11.6
160.09618	20.7
161.01237	24.1
161.02907	25.4
162.03108	36.3
163.02666	13.3
169.00204	28.1
173.01222	15.4
177.00728	22.6
186.07430	20.3
188.01006	22.4
190.02538	10.4
191.02258	22.1
192.04257	11.5
193.00223	30.3
195.01828	10.0
200.09093	11.5
206.98219	16.6
216.00580	12.7
216.08543	10.0
218.01959	19.8
227.45238	9.7
228.08533	13.7
237.02858	16.8
246.09552	13.8
248.03172	10.0
267.00345	35.8
272.07285	8.9
285.01337	40.0
290.06467	37.8
290.12665	15.6
291.10541	77.7
304.14270	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	289.2524
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
51.02378	1.0
53.03931	3.4
55.01854	2.7
55.05261	1.6
55.05508	16.1
57.03426	3.3
57.07073	9.7
65.03943	5.9
67.05502	23.4
68.99793	1.3
69.03434	1.9
69.07065	31.4
70.70422	1.2
70.70776	3.2
71.04967	1.7
71.08622	1.2
73.75044	1.3
77.03901	2.0
79.05491	19.2
81.03430	2.0
81.07055	67.0
83.04983	3.0
83.08629	9.4
84.04507	1.4
85.06540	2.4
90.32137	1.1
91.05477	24.7
93.07040	100.0
94.07368	1.5
95.04965	24.8
95.08605	55.5
97.06524	4.7
97.10168	5.1
99.08083	1.5
105.07034	22.2
107.04962	3.7
107.08592	33.4
109.06519	6.8
109.10152	27.9
111.04463	8.7
111.08078	4.7
111.11725	3.2
117.07002	3.3
119.08578	20.5
121.06509	4.2
121.10138	28.1
123.04416	14.1
123.08054	2.9
123.11687	15.9
127.03918	4.4
130.06496	1.2
130.07770	1.6
131.05028	2.1
131.08553	6.3
133.10118	14.1
135.04413	32.1
135.08070	2.3
135.11685	11.3
137.09639	2.5
137.13252	19.0
139.03893	18.4
139.11166	1.4
143.08549	1.8
145.10106	10.5
147.08055	2.6
147.11676	12.0
149.02313	2.3
149.05940	1.3
149.09634	1.7
149.13255	13.0
151.03903	7.3
151.11189	2.9
151.14799	1.3
153.05487	1.2
157.10097	2.0
159.08022	4.6
159.11691	10.4
161.01239	1.2
161.05960	1.3
161.13234	10.5
163.03931	5.5
163.11150	3.3
163.14792	6.7
164.07001	1.6
171.11642	1.4
173.13254	6.2
175.14890	5.9
177.12743	1.5
177.16400	4.3
187.14844	4.1
189.16380	3.6
195.17427	6.5
201.16405	2.4
203.17894	2.1
215.17908	5.9
229.19470	1.5
231.06485	1.8
231.21114	2.4
259.06058	2.1
261.07562	2.1
271.06000	1.5
271.17050	1.9
271.24173	13.1
289.06702	5.1
289.10199	1.7
289.18179	8.8
289.22061	2.5
289.25229	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	289.2524
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
55.01860	2.9
55.05510	24.3
57.07073	11.8
65.03941	2.6
67.05502	24.9
69.07067	100.0
69.95885	10.5
71.05008	2.6
71.08601	2.5
79.05495	16.8
79.42647	2.2
81.07053	83.6
83.04986	2.0
83.08616	16.0
85.06545	3.4
91.05472	15.1
91.34791	2.1
93.07047	39.5
95.04984	9.5
95.08604	62.1
97.06516	6.6
97.10191	9.6
98.20879	4.0
101.77885	1.9
104.57933	1.9
105.07031	22.7
107.04948	9.3
107.08591	36.4
109.06547	5.0
109.10154	44.1
111.04442	6.6
111.08066	3.1
111.11717	26.5
117.06972	2.6
119.08575	18.7
121.10130	32.6
123.04426	15.8
123.08086	2.9
123.11703	30.9
125.09653	3.3
127.03905	2.0
131.08542	6.4
133.02802	2.0
133.10139	15.7
135.04390	31.5
135.11693	17.0
137.05997	2.5
137.09648	4.4
137.13274	17.1
139.03891	17.4
139.11211	9.7
145.10146	5.8
147.11732	10.7
149.02319	4.2
149.13266	22.0
151.03876	5.8
151.11205	6.4
159.11716	9.2
161.13254	14.3
163.03922	3.2
163.14842	8.5
165.12758	5.4
173.13254	7.1
175.14772	10.3
177.12784	2.5
177.16386	6.5
179.14296	3.8
187.14839	6.3
189.16400	6.9
191.18033	2.8
197.05930	2.8
201.16353	5.2
203.17999	5.7
215.17897	6.1
219.17438	2.9
229.08633	3.6
229.19586	2.2
245.22636	7.4
245.84875	1.9
249.75420	1.9
271.24319	11.0
289.07062	4.6
289.10541	2.7
289.25232	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	289.2524
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03949	3.4
55.01846	3.4
55.05512	26.0
57.07072	10.6
67.05506	29.8
69.03442	2.5
69.07067	54.8
70.48341	6.7
71.04990	3.5
78.70317	1.7
79.05487	20.5
81.07055	100.0
82.07384	1.8
83.04994	2.2
83.08618	17.3
85.06526	8.5
86.27234	1.9
88.29021	1.9
91.05473	15.2
91.82796	1.7
93.07039	50.1
95.04949	4.8
95.08603	67.9
96.08957	1.9
97.06530	6.8
97.10168	6.9
99.08092	4.7
105.07033	37.1
107.08595	53.2
109.06519	3.2
109.10155	41.7
111.08080	9.3
111.11699	7.4
117.07012	3.8
119.08575	31.1
121.06480	3.1
121.07328	2.5
121.10136	42.0
123.04421	3.5
123.08068	5.0
123.11703	61.5
125.09644	4.7
131.08560	6.1
133.10126	23.5
135.04439	3.1
135.11664	29.3
137.09619	6.2
137.13243	14.3
139.11163	3.0
145.10138	10.6
147.11684	22.3
149.13264	20.5
151.11186	6.0
153.12756	2.7
159.11688	12.5
161.13252	22.0
163.14815	11.6
165.12737	8.9
173.13246	12.6
175.14833	13.8
177.12706	2.4
177.16371	11.1
179.14310	5.3
187.14841	8.6
189.16399	14.1
193.15848	4.7
201.16330	6.6
203.17906	9.5
207.17528	2.2
215.17917	7.2
217.19649	2.8
219.17564	2.6
229.19501	3.0
233.18950	3.0
245.22664	21.7
271.09616	3.8
271.24268	17.8
285.06436	2.5
289.10797	4.4
289.25253	74.9
290.25766	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	289.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07075	100.0
67.05495	8.7
67.89043	3.0
69.07040	3.2
71.11219	7.4
72.04511	26.3
79.05486	4.1
81.07072	9.2
86.09729	3.2
91.05457	8.3
94.37001	4.1
95.08561	4.3
100.07612	50.9
105.07020	15.4
109.10162	5.2
113.99731	2.8
118.08726	3.4
119.08611	4.6
121.06535	4.1
121.10159	3.5
123.04410	3.3
131.08554	5.6
133.10126	10.6
135.04437	6.7
145.10172	4.7
151.03899	3.5
156.13835	65.0
159.11708	3.9
167.02129	3.5
168.77121	3.7
182.34094	3.1
218.03525	3.3
271.31720	3.8
289.21616	11.6
289.24939	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	289.187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25708	0.8
55.35642	0.7
56.05037	10.5
58.04092	1.0
60.04507	2.4
60.05635	3.0
69.04553	25.8
70.06563	1.3
70.52976	2.5
70.53339	1.2
71.04992	12.2
72.04519	4.1
72.08141	2.7
74.02435	7.6
74.06071	11.0
79.05470	1.3
81.07057	1.2
84.04524	0.9
86.06054	1.8
88.07089	1.5
88.07629	25.5
95.84958	1.0
96.05612	30.3
96.08165	2.0
98.07174	0.8
98.09682	5.3
99.07937	2.5
102.05558	9.2
110.07151	2.4
111.04427	1.4
113.09647	4.5
113.10802	0.7
114.09211	4.0
116.08221	6.9
118.04998	1.3
118.06127	1.0
120.06544	2.3
123.04427	12.2
124.04826	0.8
126.10285	0.9
126.54756	0.8
127.03896	1.1
128.08163	7.5
130.06563	1.2
135.04390	4.9
135.07599	1.4
138.10274	8.0
138.12759	1.2
139.03905	8.4
139.10999	1.1
140.11819	6.6
142.09703	1.4
149.02351	0.9
151.03906	1.5
152.12970	1.0
156.11322	97.2
157.11624	1.1
163.03899	3.5
172.09697	3.1
188.13947	12.4
189.12358	1.6
196.14468	1.2
199.14531	0.9
212.13893	2.4
213.17073	1.5
239.15048	1.4
240.13452	7.2
244.16560	2.2
257.16074	100.0
258.16357	2.3
289.07108	0.9
289.18695	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	289.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.2
55.01879	1.4
55.05523	2.9
56.59974	1.1
56.96556	3.7
57.03430	3.6
59.04992	5.0
61.02928	10.1
65.03925	1.5
67.05495	3.0
68.05035	3.2
68.99770	1.7
69.03433	3.7
70.06587	3.9
71.05000	9.1
71.42365	1.3
74.02396	1.3
75.03596	1.2
79.05495	4.6
81.03409	1.5
81.04536	15.0
81.07058	24.3
82.05318	6.7
83.06100	4.8
84.04518	1.8
84.08115	1.6
85.02899	4.9
86.06066	1.3
87.08096	2.7
91.05470	1.7
95.04977	2.0
95.06089	33.9
95.06695	1.8
96.04507	1.5
97.02892	3.2
98.97531	2.2
109.06536	1.1
111.04391	4.4
111.05560	71.0
113.09647	1.5
116.98638	2.3
122.06013	1.6
123.04459	9.9
123.05551	64.1
125.07112	4.9
127.03922	35.0
130.06517	23.7
131.01901	1.6
132.04449	8.2
132.08089	3.5
134.99684	2.0
135.04413	19.0
139.03897	36.3
141.06586	100.0
151.03926	3.8
157.07602	32.3
158.06018	20.8
158.07973	1.7
159.09184	4.4
160.07675	1.4
163.03928	4.7
163.12326	5.7
173.07137	1.6
175.08711	5.3
185.07111	3.9
185.83835	1.4
191.11835	1.8
193.13458	1.4
197.07146	1.7
199.08621	3.7
203.08141	16.7
209.12918	6.2
217.09297	1.7
221.12842	18.4
225.06638	2.0
227.08180	3.7
231.06586	2.2
239.13902	29.9
241.15485	11.2
243.07690	10.6
245.09193	3.9
246.08626	1.2
253.15512	2.0
271.07126	7.3
271.16510	80.5
272.16949	2.8
289.08707	2.2
289.12540	47.0
289.17459	25.0
290.12769	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08473	1.2
51.20396	1.3
55.01849	2.2
55.05502	1.6
58.48433	1.3
60.93781	1.2
62.23617	1.1
65.03932	6.7
67.05495	3.0
68.99776	3.6
69.03416	1.7
69.07056	2.0
69.24777	15.8
79.05479	5.5
79.48214	1.4
80.61443	1.4
81.03385	1.4
81.07044	3.6
83.04974	2.3
84.04458	1.7
89.03905	5.9
91.05470	3.7
91.74471	1.3
92.65810	1.2
93.03387	6.4
93.07021	4.9
95.04944	4.8
95.08608	1.9
97.06505	3.7
98.20765	2.5
99.04440	1.5
100.41914	1.3
103.05434	2.3
105.07022	1.7
107.04946	11.4
107.08553	2.8
109.02879	1.6
109.06485	1.7
111.00797	3.1
111.04437	26.3
117.03379	4.0
119.08545	2.5
121.02827	1.7
121.06529	5.5
123.04424	58.8
127.03897	13.0
130.06595	2.5
131.04890	3.6
135.04411	100.0
136.04668	2.0
137.02336	4.9
139.03891	41.6
139.07503	2.3
141.07010	2.2
143.15541	1.4
147.11655	3.3
149.02328	13.5
149.05940	2.7
151.03920	19.3
153.01814	5.7
158.05980	3.2
159.04375	2.3
163.03928	11.2
165.12773	2.3
169.06418	1.5
173.05890	2.3
175.11183	2.5
177.05434	2.1
178.05637	1.2
179.03401	1.6
183.11830	1.3
189.12808	1.8
197.05945	1.8
205.04889	2.2
213.05487	3.0
215.06978	3.9
217.12318	6.8
225.05330	1.6
231.06508	4.1
235.13257	3.5
238.36522	1.4
243.06445	3.9
259.06006	6.2
261.07507	7.6
271.05893	4.6
289.06195	19.4
289.11322	1.5
289.14676	1.8
289.18124	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15440	3.7
55.05505	3.8
56.96572	4.3
60.67641	3.7
65.03924	5.5
67.05496	8.6
68.99786	5.7
69.03437	3.6
69.07064	8.4
69.80946	14.2
69.81380	10.4
70.26312	3.3
79.05472	15.4
81.03397	3.8
81.07053	22.3
84.04120	3.7
84.04510	43.3
85.02921	7.9
89.03905	4.4
90.31766	3.8
91.05455	10.1
93.07035	27.6
95.04948	9.8
95.08595	11.7
97.06532	12.2
103.03918	10.2
105.07023	18.8
107.04960	22.6
107.08586	15.2
109.06504	12.0
109.10132	4.3
111.04430	21.6
111.08078	6.8
119.08567	10.6
121.06506	26.8
121.10146	4.2
123.04426	43.6
124.07595	3.7
126.05548	10.0
127.03883	14.9
127.07561	4.8
133.10126	4.5
134.99631	5.4
135.04414	100.0
136.04730	4.2
137.02335	6.2
139.03914	40.4
139.07550	8.7
143.08531	4.1
145.02771	4.8
147.11652	19.3
149.02301	9.5
149.05908	5.7
151.03911	15.7
153.01808	41.7
157.08630	4.4
163.03911	26.2
165.12758	8.1
168.06526	5.4
171.02817	9.5
171.11742	7.4
175.11145	12.3
189.12711	5.7
193.12225	9.0
195.11349	3.9
197.05969	4.0
199.11345	9.2
207.13794	6.1
211.13324	8.4
217.12233	27.7
225.36458	3.9
235.13361	14.2
253.14345	7.5
259.06082	3.9
261.07529	5.1
271.05884	5.2
289.06131	57.0
296.85410	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
53.10930	0.7
55.01871	1.6
55.05513	4.1
56.96549	0.7
57.03430	1.4
57.07083	1.2
65.03939	4.4
67.05496	6.4
68.99789	2.3
69.03439	0.8
69.07068	6.3
71.05003	1.1
71.58739	0.8
72.16554	0.6
72.25285	0.8
76.74092	0.5
79.05502	6.0
80.05015	0.6
81.03423	1.6
81.05792	0.7
81.07051	10.2
83.04990	1.1
83.08614	2.2
84.04513	1.5
85.02869	0.7
85.06556	0.8
85.73618	0.6
89.03927	2.0
89.23278	0.5
91.05485	10.1
92.06316	0.6
93.03413	1.6
93.07042	9.3
94.06566	1.6
95.04957	4.5
95.08607	8.0
96.08139	2.1
97.06545	1.8
97.10181	1.5
103.05463	1.4
105.03374	0.9
105.07025	6.2
106.06548	1.4
107.04326	0.7
107.04942	4.2
107.08592	7.0
108.08101	1.4
109.06528	2.4
109.10142	5.5
111.00775	1.2
111.04443	15.5
111.08028	0.6
111.11707	0.6
114.93916	0.6
115.05479	0.8
116.04984	0.9
117.03386	2.5
117.05743	1.8
117.07001	1.7
118.06554	6.2
119.04998	1.0
119.07310	0.8
119.08588	6.6
120.08112	11.8
121.02891	1.2
121.06524	1.8
121.10139	3.7
122.09673	0.8
123.04427	22.0
123.08022	1.1
123.11693	2.6
123.24039	0.5
124.04780	0.8
124.07600	9.7
125.09641	0.6
126.09150	1.5
127.03925	6.9
128.06194	0.8
129.07002	1.6
131.04947	2.8
131.08580	2.4
133.02887	0.7
133.06474	1.6
133.10138	3.6
134.06003	4.7
135.04417	50.3
135.08055	1.9
135.11685	3.4
136.04727	1.4
136.07594	7.2
137.02356	1.9
137.05954	1.1
137.13272	1.7
138.05501	2.2
139.03902	27.2
140.04257	1.0
141.06973	0.7
143.05000	0.6
143.08588	0.9
145.06511	1.7
145.10120	3.0
146.05998	4.0
147.04329	0.6
147.06786	1.8
147.07976	1.1
147.11687	3.6
148.07570	10.6
149.02338	4.0
149.05995	2.0
149.09541	0.7
149.13254	2.2
150.03084	0.7
151.03905	10.3
152.07092	1.6
157.06506	0.7
157.10121	1.4
159.04382	0.9
159.08044	5.2
159.09146	0.9
159.11707	2.4
161.05983	0.7
161.09607	1.0
161.13251	1.5
163.03902	9.3
163.07550	0.9
163.11148	0.8
163.14816	1.2
164.07068	100.0
165.07402	3.3
166.08649	3.4
169.06528	0.7
169.10132	0.9
171.11639	1.2
173.05975	0.9
173.09615	1.2
173.13373	1.1
175.11130	1.0
175.14821	1.0
177.05525	1.1
177.16362	0.7
179.03340	1.9
179.07039	0.6
179.14258	0.6
187.14838	1.5
189.12758	4.8
190.13528	1.2
197.05954	1.5
200.10718	1.1
203.17961	0.8
205.04916	2.9
213.05415	1.4
215.06999	1.1
215.15677	0.7
215.17982	0.9
216.10199	2.1
217.12312	0.9
225.12720	1.4
225.16286	0.7
229.04991	0.9
229.13321	1.4
231.06548	2.2
241.04819	0.7
243.14893	4.0
243.17468	1.7
243.20807	0.6
245.16479	2.6
247.06094	1.3
253.13400	0.9
253.15915	0.9
254.11620	1.4
259.06009	2.9
261.07559	3.7
271.06042	2.9
271.09741	1.0
271.14352	18.6
271.16989	8.8
271.24142	1.8
289.06604	6.5
289.15405	57.5
289.18118	7.7
289.25064	5.2
290.15738	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1434
Annotation	Hedyosumin D
Peak:m/z	Relative Intensity
53.03972	2.7
55.01869	2.7
55.05507	7.7
60.96501	2.2
65.03951	3.4
67.05498	9.7
69.03416	2.4
69.07065	9.6
71.20274	4.3
79.05480	14.5
81.07051	20.6
83.08640	2.3
91.05473	24.2
93.07038	16.5
95.04968	9.4
95.08596	11.4
103.05447	3.9
105.07034	26.3
107.04964	5.9
107.08595	14.3
109.06464	2.6
109.10162	5.4
111.04458	5.6
115.05470	9.1
116.80630	2.2
117.06994	15.5
119.08567	17.3
121.06486	7.0
121.10136	4.0
123.04435	7.5
123.11689	3.7
127.03928	2.8
128.06212	17.1
129.07011	23.9
131.08549	34.6
133.06464	3.4
133.10138	9.9
135.04388	18.8
135.08012	4.5
135.11636	2.8
139.03918	9.1
141.06987	22.8
142.07751	21.6
143.08560	33.9
144.09357	3.9
145.06490	8.2
145.10129	13.9
147.11711	6.2
149.02336	2.6
149.05989	4.3
151.03862	3.2
151.11119	3.2
153.06992	19.9
154.07745	5.1
155.08548	41.7
157.10124	29.2
158.10948	2.8
159.08018	14.3
159.11711	8.3
161.05975	2.7
161.09645	3.1
163.07541	3.1
167.08568	6.9
168.09320	44.1
169.10071	5.5
172.08875	3.1
173.06017	7.4
173.09666	7.9
173.13260	10.2
175.07562	2.8
178.07791	4.0
181.10078	3.1
183.08165	2.8
183.11691	100.0
184.12337	3.0
185.09615	6.5
185.13275	4.7
187.07594	13.3
187.11234	2.5
193.10132	4.4
196.08844	4.1
201.09161	2.4
201.12723	26.7
203.10712	5.2
211.11166	22.1
219.13826	3.9
222.08659	2.3
225.12807	2.4
229.10118	4.6
229.12238	64.0
235.63666	2.3
247.13370	4.1
271.24258	3.0
289.14365	11.4
289.17987	7.9
289.25211	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	289.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	0.9
66.19312	0.6
70.61901	2.5
73.21232	0.8
79.05475	0.9
81.07072	0.9
84.27545	0.7
85.98994	0.6
111.04443	2.3
115.05498	0.8
123.04412	1.7
125.58391	0.7
127.03902	1.6
130.06526	18.5
131.01897	0.7
131.06819	0.7
132.04459	2.8
132.08095	1.5
135.04430	5.6
139.03906	3.7
146.06128	0.6
151.03944	0.8
157.06340	1.4
157.07620	27.1
158.06018	11.5
159.09146	2.4
163.03862	1.3
169.07666	0.9
173.02919	1.0
175.08733	3.2
175.10124	0.6
176.07080	0.8
182.83023	0.7
185.07162	4.1
186.05556	0.9
197.07152	1.2
199.08691	2.0
203.08163	15.0
221.05083	2.1
225.06618	1.6
227.08209	1.7
239.56015	0.7
243.07774	3.5
245.09218	2.8
271.07153	4.8
289.12582	100.0
290.12854	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
59.44872	0.5
59.52743	0.5
60.97846	0.6
63.47228	0.7
64.48936	0.6
65.03933	2.3
68.99783	1.4
70.37697	2.8
73.91076	0.7
79.05474	0.9
84.08118	1.0
86.06028	0.8
87.00826	2.2
89.03910	1.0
93.07037	1.2
94.06566	1.0
95.04978	1.2
97.06503	0.6
103.05474	1.5
106.74062	0.8
107.04950	1.6
111.04443	6.8
115.05435	0.7
117.03429	1.0
117.05732	1.0
123.04430	11.3
123.76469	0.6
127.03902	4.2
130.06528	71.2
131.04948	0.9
132.04462	11.1
132.08102	6.0
135.04414	24.0
135.07819	0.6
137.02385	0.9
139.03906	11.9
142.06473	1.4
146.06026	1.8
149.02353	3.1
149.05989	0.7
151.03900	4.5
153.01865	1.1
154.06493	1.1
156.06830	1.8
156.08040	1.1
157.07616	100.0
158.06010	37.3
158.08022	1.4
159.09177	10.8
160.07617	1.8
163.03908	4.7
169.07635	2.6
173.07169	0.9
175.08670	8.4
179.03499	0.9
181.07639	1.0
183.05461	1.0
184.07611	2.5
185.07114	12.9
186.05515	2.0
197.07144	5.9
197.16139	0.7
198.05527	0.8
199.08691	7.0
200.06961	1.1
201.06609	2.6
201.10251	1.5
202.07343	1.2
203.08157	62.7
204.06772	0.7
204.08623	1.1
205.04878	0.7
209.07132	0.6
213.05505	0.9
225.06744	5.0
226.91968	0.7
227.08154	7.2
229.06107	0.8
231.06477	1.1
243.07832	4.1
245.09216	11.7
258.09790	0.7
259.05942	1.5
261.07639	1.8
271.07169	20.2
271.10370	1.2
271.88876	0.7
289.08109	9.8
289.11774	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0707
Annotation	(2S)-5,7,2',5'-Tetrahydroxyflavanone
Peak:m/z	Relative Intensity
53.00304	1.6
53.03934	2.1
55.01871	3.5
55.05510	9.0
56.96560	2.5
57.07071	2.8
59.19367	1.3
61.46917	1.1
61.68861	1.3
65.03952	7.5
67.05502	13.7
67.23465	1.1
68.99785	10.1
69.03436	4.0
69.07068	32.4
69.33759	12.8
70.06579	2.0
71.04986	2.1
79.05491	11.8
81.03427	1.8
81.07057	37.4
83.04951	1.5
83.08620	4.8
85.06561	1.8
86.09714	2.6
89.03916	3.9
91.05483	7.6
93.03411	3.9
93.07047	19.4
95.04969	6.7
95.08603	29.4
95.09172	2.5
97.02899	1.8
97.06526	3.1
97.10153	2.8
97.32504	1.4
98.97617	1.9
99.08048	2.3
103.05447	2.4
103.90317	1.2
105.07024	8.8
107.04945	22.7
107.08586	20.4
108.95863	1.1
109.02866	1.4
109.06513	4.5
109.10151	20.2
111.00817	8.4
111.04447	22.3
111.08057	2.4
111.11708	4.3
113.09689	1.3
116.98590	1.6
117.03365	2.9
117.07047	2.5
119.08582	10.6
120.08088	5.6
121.02857	7.0
121.06504	1.6
121.10133	16.8
123.04431	34.8
123.11691	13.9
127.03924	10.0
129.07024	1.4
131.04893	4.1
131.08566	4.6
133.06514	2.6
133.10141	9.8
135.04410	76.0
135.08055	1.5
135.11700	9.8
137.02330	18.6
137.05980	2.4
137.09639	2.3
137.13242	4.3
139.03897	100.0
139.11140	3.5
140.04294	2.0
141.05492	1.9
141.06966	2.3
144.09410	1.5
145.10135	4.8
147.04430	1.7
147.11667	6.3
149.02336	18.5
149.05981	5.9
149.13258	9.9
151.03885	19.6
151.11176	1.7
153.01826	21.5
155.05040	1.5
157.07594	1.6
158.05856	1.5
159.04422	3.2
159.11635	6.2
161.05965	1.4
161.13190	6.9
163.03908	32.2
163.14835	4.2
167.03436	1.8
169.06532	3.8
173.06053	3.0
173.13316	2.0
175.14841	4.1
177.05521	4.6
177.16435	3.5
179.03409	7.4
179.07077	6.1
179.14270	1.4
187.14854	1.8
189.16446	2.7
195.02815	1.8
197.05931	3.1
201.16460	2.0
203.18040	2.3
205.04962	27.3
208.12184	1.6
215.07043	12.2
215.17924	2.5
229.04944	6.0
231.06514	3.5
243.06528	10.9
245.08052	2.3
245.22826	1.8
247.06044	5.9
259.06027	4.8
261.07614	4.0
271.06030	7.9
271.24304	7.5
289.07040	28.4
289.10376	2.2
289.14944	2.9
289.25284	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	289.0705
Annotation	Isookanin
Peak:m/z	Relative Intensity
51.80312	0.9
52.92665	1.1
53.03938	1.0
55.01859	1.4
55.05499	0.8
56.96558	1.4
65.03936	8.4
66.28106	0.9
67.05489	2.4
68.99808	4.1
69.03404	1.0
69.07065	1.1
70.27045	2.3
70.27467	1.4
71.04967	0.9
74.97394	0.8
79.05487	2.6
81.03411	1.1
81.07048	1.8
83.04977	1.3
85.37592	0.9
89.03928	4.2
91.05470	2.2
93.03390	4.8
93.07033	1.2
95.04952	3.5
95.08601	1.0
97.06548	1.0
98.97591	1.6
103.05449	2.1
105.03358	1.1
105.07023	1.5
107.04946	6.9
109.02862	1.2
109.06461	0.9
111.00793	2.0
111.04435	27.5
116.98605	1.8
117.03379	4.9
119.08540	1.0
120.08096	3.5
121.02899	2.4
121.06560	1.3
123.04430	47.9
124.07609	1.2
127.03916	13.2
130.06497	1.3
131.04898	4.7
133.02852	1.0
135.04416	100.0
136.04744	1.1
136.07622	4.1
137.02309	7.9
138.02684	1.2
139.03903	49.1
141.06998	1.2
145.02867	2.1
148.07573	1.3
149.02345	8.6
149.05957	3.6
150.03111	1.5
151.03902	20.9
153.01826	14.7
155.04808	0.9
157.07562	1.2
159.04398	2.4
161.05957	1.4
163.03911	21.4
164.07051	2.6
167.03394	1.3
169.06451	2.9
173.06035	1.2
177.05411	2.3
179.03409	3.2
185.05910	1.1
187.03914	1.5
197.05989	4.2
203.06932	1.0
205.04900	2.8
213.05550	2.1
215.07063	5.9
225.05447	1.2
227.06850	0.9
229.05170	1.1
231.06583	5.5
237.02817	1.0
243.06584	6.6
243.14998	4.6
259.06171	6.8
261.07602	7.4
271.05984	6.6
271.09735	1.2
271.14426	7.4
289.07013	22.6
289.10715	1.8
289.15234	2.0
289.18127	1.8
307.10776	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0707
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
50.67896	1.0
52.20762	1.1
53.16277	1.0
55.01871	1.4
55.05509	1.7
63.29241	1.3
65.03945	9.2
67.01853	1.5
67.05499	2.6
68.99804	5.2
69.03450	2.2
70.75348	3.8
79.05496	3.5
81.03422	2.9
81.07050	1.1
83.05000	2.0
84.08167	4.4
85.02915	1.4
85.85098	1.1
89.03929	4.8
91.05498	2.0
92.62581	1.2
93.03410	4.0
95.04964	4.5
95.08645	1.2
97.02893	1.2
98.97602	1.5
103.05481	1.6
107.04968	28.7
107.05681	1.1
109.02901	1.3
109.06540	1.6
111.00816	2.4
111.04448	27.1
116.98640	1.3
117.03401	4.4
117.07059	1.1
117.38200	1.1
119.04917	1.4
121.02893	5.5
121.06516	1.4
123.04438	54.7
124.04752	1.4
127.03931	17.9
131.04933	3.2
132.08458	3.5
135.04427	100.0
136.07584	2.1
137.02348	5.2
137.05937	1.3
139.03912	55.6
141.07028	2.6
147.04413	1.6
149.02347	26.2
149.05994	2.6
151.03925	16.9
153.01845	33.4
157.06500	1.2
159.04436	2.9
163.03928	17.0
167.03448	4.2
169.06496	2.6
171.02936	7.7
177.05470	1.3
179.03488	1.8
185.05975	1.4
187.03937	1.6
187.07614	1.6
187.60063	1.0
195.02881	2.9
197.06007	3.9
201.05527	1.5
205.05067	2.7
213.05382	2.4
215.07042	21.1
225.05511	1.3
231.06558	3.9
232.69368	1.4
243.06531	19.0
259.06067	5.2
261.07642	5.2
271.06027	9.7
271.14523	1.4
289.07050	12.4
289.15222	1.6
292.38431	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0705
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
55.01846	1.0
57.15912	0.9
65.03934	5.9
67.01873	1.1
67.05490	2.0
67.45813	1.0
68.99814	4.9
70.05299	4.6
72.07397	0.8
72.40805	0.9
79.05482	3.3
81.03412	2.7
83.04987	1.1
84.04502	2.5
85.02890	2.3
88.11298	1.2
89.03918	3.2
91.05476	1.7
93.03394	3.8
95.04958	3.5
96.04443	1.3
97.02854	1.6
99.04423	1.2
107.04951	14.7
108.08134	1.4
109.02877	1.9
111.00779	1.7
111.04443	24.5
117.03353	3.7
120.08086	5.6
121.02869	2.7
123.04428	42.9
127.03915	31.1
127.04703	0.9
130.06531	6.9
131.04904	3.8
132.04443	4.1
133.06429	1.1
135.04416	100.0
136.07600	7.6
137.02339	3.8
139.03899	43.1
141.06982	1.7
146.05971	2.0
147.04449	1.4
148.07565	3.4
149.02344	11.8
149.05980	1.5
150.19061	1.0
151.03893	16.2
153.01826	13.5
157.06509	1.4
157.07654	4.6
158.06044	4.5
159.04419	2.2
161.05991	1.0
163.03886	17.8
164.07062	4.3
167.03447	1.3
169.06520	2.3
171.02893	2.7
173.05986	1.5
174.91096	0.9
175.08728	1.7
177.05530	1.9
179.03319	1.8
187.03844	2.3
187.12415	1.8
197.05936	2.9
200.12848	1.7
201.05368	1.6
205.04901	2.7
213.05521	2.8
214.10982	1.8
215.07034	8.5
215.11874	1.4
225.06635	2.0
231.06468	4.7
243.06499	8.3
243.14981	5.0
245.66158	1.1
247.05922	1.4
259.06018	3.5
261.07535	7.0
271.05896	8.3
271.14325	7.3
289.07614	10.8
289.15161	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0704
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
50.21548	1.6
65.03931	3.9
65.97456	1.6
67.01837	2.2
68.99780	6.2
71.28085	4.3
79.49726	1.8
79.90028	1.7
91.05477	5.2
93.03367	2.1
95.04958	2.7
96.77492	1.5
105.31407	1.8
107.04947	26.2
111.00765	2.6
111.04457	9.8
119.04937	3.8
121.02878	11.1
123.04424	17.7
127.03922	5.2
131.04884	2.3
135.04413	31.5
139.03897	52.8
141.06982	3.8
141.29268	1.8
147.04434	4.2
149.02341	71.4
149.05986	2.4
151.03908	9.6
153.01817	21.4
155.19949	1.9
158.04164	2.0
159.04369	2.3
163.03918	14.4
169.06471	7.0
171.02838	3.5
179.03435	4.3
179.73969	1.8
187.03864	1.9
197.05994	8.7
205.04979	4.4
215.07036	81.5
225.05379	3.7
226.54642	2.1
231.06586	1.7
243.06528	100.0
259.05994	3.4
271.05981	34.4
289.06073	24.2
289.09537	2.2
313.99231	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0707
Annotation	Isookanin
Peak:m/z	Relative Intensity
52.69183	0.9
53.03924	0.9
55.01859	1.4
55.05514	1.3
55.39897	0.9
56.96571	0.9
57.13234	0.9
63.81509	0.9
65.03941	6.5
67.05500	3.6
68.99795	2.1
69.03416	1.2
69.07045	2.3
71.04901	1.9
71.05270	2.0
77.03879	1.1
79.05481	2.9
81.03432	1.4
81.07059	5.9
82.17194	1.1
83.04968	2.7
85.06559	1.3
86.09658	0.9
89.03911	3.0
91.05470	2.0
93.03411	4.5
93.07050	5.1
95.04963	4.6
95.08596	2.4
97.02863	1.2
97.06537	2.0
98.97581	1.4
105.07021	2.7
107.04957	7.4
107.08599	2.5
109.06496	2.9
111.03707	1.6
111.04448	27.6
111.08064	1.7
117.03362	3.6
119.08584	2.5
121.02863	1.6
121.06476	6.3
121.10159	1.1
123.04438	45.2
127.03918	10.8
130.06480	1.4
131.04961	2.6
133.10233	1.1
135.04422	100.0
137.02364	3.7
139.03900	40.4
139.07547	1.7
141.07011	1.3
145.10075	1.2
147.11691	3.4
149.02344	9.5
149.05994	3.1
150.42888	1.0
151.03893	18.0
153.01801	3.9
157.06476	1.3
157.07588	1.4
157.10092	2.2
158.06000	1.3
159.04427	2.0
163.03943	12.2
165.12756	1.3
167.03456	2.0
169.12288	1.1
171.11682	1.4
175.11209	3.5
177.05293	1.7
179.03447	2.5
185.05844	1.0
193.12260	2.2
197.06119	2.4
199.11136	2.7
205.04889	1.6
211.13327	1.3
213.05536	2.0
215.06999	3.4
217.12271	5.6
229.04970	1.3
231.06425	5.7
235.13243	2.7
241.04996	1.5
243.06552	2.9
253.14508	1.2
259.05911	5.3
261.07547	6.4
271.06021	6.0
289.06863	9.5
289.14774	1.2
289.18195	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0705
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
53.03939	2.0
55.01862	1.1
58.56357	1.0
65.01085	1.2
65.03929	4.5
66.16975	1.0
67.01855	2.8
67.05482	2.4
68.99789	6.4
69.03415	2.2
69.07043	1.3
75.09361	1.0
79.05471	2.8
81.07035	1.8
89.03912	1.4
91.05475	2.1
93.03376	1.7
93.07018	1.2
95.04961	4.4
95.08595	1.7
97.02875	1.9
101.35887	1.1
105.07016	1.4
107.04951	81.1
107.08591	1.3
111.00805	2.4
111.04431	12.6
115.05463	1.0
118.89098	1.1
119.04907	3.2
121.02861	14.8
121.06495	3.9
123.04437	13.2
126.12791	1.1
127.03933	6.3
131.04904	2.1
131.08522	1.5
133.02838	1.1
135.04410	33.6
135.11623	1.2
137.02310	3.9
139.03899	26.3
141.05453	1.9
141.06952	3.9
144.67436	1.1
145.06464	2.7
147.04396	2.1
147.08000	2.4
149.02338	73.5
151.03882	6.6
153.01825	100.0
159.04393	1.4
163.03903	10.4
167.03381	10.7
169.06470	5.1
171.02914	1.8
173.05957	1.3
177.05440	1.5
179.07047	1.0
187.03970	1.1
187.07509	2.6
189.09283	0.9
195.02899	9.1
197.05989	9.4
201.05367	1.5
205.04930	3.2
213.05408	1.8
215.07016	67.7
216.07410	1.1
229.21913	1.1
242.05717	3.5
243.06525	49.7
244.06868	1.5
248.90552	1.2
259.06146	1.6
261.07544	2.2
271.05966	14.2
289.07043	11.1
289.14005	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0705
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
64.41829	1.9
65.03938	3.2
68.99769	4.7
70.35682	7.3
74.14432	2.2
81.03364	2.3
86.24139	2.0
91.05476	6.4
97.39690	2.2
102.92680	1.9
107.04947	21.7
111.04428	3.5
119.04922	3.1
121.02833	9.8
123.04424	7.1
123.97806	2.0
127.03873	3.4
127.32719	2.2
135.04439	11.1
139.03896	5.9
141.07002	3.2
145.02849	2.9
147.04414	3.0
147.07985	2.9
149.02338	75.7
153.01836	20.0
159.04391	3.2
163.03874	2.3
167.10428	2.3
169.06509	7.2
171.02876	3.9
187.07547	3.5
197.06006	7.9
215.07010	77.8
225.05440	2.0
229.20277	1.9
243.06529	100.0
271.05994	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	289.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46404	0.8
53.80745	0.8
55.01875	1.1
56.96561	8.2
57.03438	1.5
58.99847	1.0
61.02932	1.0
62.03283	0.7
63.90400	0.9
69.03438	4.2
69.12023	0.9
69.97093	5.4
70.06593	5.3
71.01302	0.9
71.04988	1.3
73.02908	2.3
77.00910	1.8
81.03409	1.4
81.04515	1.0
82.99841	1.5
84.96020	1.1
85.02898	5.4
86.03244	1.0
87.04453	1.2
89.00880	1.2
95.01970	1.0
97.01369	0.9
97.02884	3.3
98.97584	4.9
101.00877	14.9
101.01501	1.4
103.02439	1.0
105.00350	1.2
110.97562	1.0
114.06648	1.2
115.02437	12.4
116.07114	1.0
116.98639	4.6
116.99329	1.0
117.04018	1.2
119.01920	100.0
120.02021	3.0
121.01682	1.2
127.03915	2.0
128.98642	1.1
129.03996	2.3
130.06531	8.0
131.00208	1.1
131.01881	9.6
131.26927	0.9
132.04440	1.7
132.08095	1.5
133.01640	1.4
133.03461	29.3
133.92464	0.8
134.03568	1.3
134.99602	2.1
135.05045	2.2
137.02953	37.8
138.03032	1.3
142.03502	2.6
143.00136	1.7
143.01888	13.6
144.99849	3.7
145.03447	4.9
146.99597	2.9
147.01434	2.6
147.05025	5.9
149.01230	1.6
149.02943	3.2
151.04494	6.4
157.03487	2.8
157.07617	9.8
158.06038	7.4
159.01346	1.9
159.09158	2.0
160.97701	1.2
161.01453	1.8
161.02951	56.0
162.03096	1.4
163.00903	0.9
163.02675	1.3
163.04523	1.6
165.00655	1.1
168.99818	6.3
171.01338	5.2
173.02962	7.8
174.08725	1.0
174.99188	1.5
175.00906	2.6
175.02544	0.8
175.04510	2.7
175.08675	1.2
177.00768	2.4
177.02475	2.4
177.04163	5.0
177.05592	0.9
179.02374	1.2
179.04018	2.3
184.04599	2.8
184.10728	1.0
185.02927	1.6
185.07127	2.4
186.04604	6.6
187.00873	20.9
187.04553	1.1
188.97119	2.5
189.00768	2.1
189.02432	17.6
191.02397	1.3
191.04010	9.9
192.04607	1.1
193.00177	1.5
193.01935	1.6
196.99342	2.9
197.07198	1.7
199.00853	6.8
199.08737	1.6
201.00792	1.1
201.02507	2.6
203.04053	1.8
203.08206	2.9
205.01953	9.0
206.98190	2.2
207.03548	4.0
213.02461	1.0
214.05698	0.9
215.00380	20.8
217.01933	18.4
219.01639	1.5
219.03499	5.5
220.99728	1.7
221.05115	1.2
227.04340	1.0
227.08194	1.9
229.01997	3.1
233.01451	2.7
235.02951	1.7
238.01942	1.1
240.03448	1.3
245.09248	1.6
247.03012	16.2
265.04022	5.7
266.04355	0.9
270.04712	1.1
271.02994	1.2
271.07089	2.8
275.02737	1.4
289.04001	3.1
289.08173	1.1
289.14697	3.7
307.05048	4.4
307.14722	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95781	1.0
55.01870	2.9
56.96567	12.5
57.03443	5.6
58.99853	1.6
61.02937	5.6
65.03922	2.2
67.05513	1.4
68.99788	1.2
69.03429	9.0
70.03793	1.6
70.06596	10.0
71.04994	3.4
71.18813	2.9
72.08144	1.2
73.02917	3.4
74.97635	1.0
77.00906	3.1
81.03426	9.2
81.04541	2.5
81.07042	1.3
82.99847	1.9
84.96029	2.5
85.02909	13.0
86.03217	1.1
87.04468	1.8
89.00907	1.3
89.03935	1.6
91.03983	1.4
93.03387	1.2
95.04965	2.0
95.06115	2.5
97.02901	8.0
97.96822	1.1
98.97572	10.3
99.04526	1.2
100.11263	3.5
101.00881	19.3
101.08948	1.0
103.02481	1.1
105.00346	1.1
107.04954	2.5
109.02885	6.3
110.01301	1.4
110.97566	1.8
111.04452	8.8
111.05577	4.3
113.00855	1.7
114.06654	4.1
115.02440	11.5
116.07089	2.3
116.98618	8.5
117.03325	1.1
119.01922	100.0
120.01987	2.7
123.04433	12.1
123.05550	3.8
125.07097	1.1
127.03915	16.5
127.05039	2.8
128.02324	1.3
128.98625	4.3
129.03975	3.6
130.06554	11.1
131.00244	2.4
131.01909	11.6
131.04930	1.4
132.04457	2.8
132.08119	1.9
133.01663	1.7
133.03474	30.8
134.03691	1.4
134.99680	4.1
135.04390	29.2
135.16969	1.2
137.02975	30.3
137.04019	1.6
137.05963	2.0
139.03918	10.4
141.06570	6.6
142.03505	3.7
143.00148	2.3
143.01888	10.3
144.99846	3.3
145.01683	1.0
145.03462	7.3
145.04930	1.1
146.79868	1.1
146.99640	4.3
147.01382	3.3
147.03131	1.0
147.05089	5.0
149.01178	2.7
149.02948	4.3
151.02650	2.1
151.03874	3.1
151.04648	2.9
155.01871	2.7
157.03491	5.8
157.07620	10.2
158.06021	9.9
158.99684	2.2
159.01346	1.6
159.04988	1.9
159.09186	4.3
161.01465	2.3
161.02962	56.4
162.03079	2.1
163.00885	1.6
163.02673	2.3
163.03979	5.0
165.00723	1.8
166.09763	2.1
168.99854	6.2
171.01402	6.3
173.01492	1.8
173.02962	9.1
174.08725	2.4
174.99156	1.8
175.00874	2.3
175.02628	1.6
175.04530	4.6
175.08633	1.7
177.00713	2.7
177.02469	2.0
177.04205	2.9
177.06038	1.3
178.04980	2.5
179.02222	2.2
179.04025	4.2
182.53537	1.2
184.04648	3.4
185.02943	3.8
185.07123	3.5
186.04718	3.1
186.99265	2.1
187.00883	16.8
187.04515	4.2
188.97031	2.0
189.00780	2.3
189.02417	14.1
191.02347	1.4
191.04001	9.1
192.04668	2.4
193.00197	4.0
193.01884	1.9
196.99290	2.1
197.03122	1.7
197.07166	1.1
198.54863	1.1
199.00903	6.2
199.04573	2.4
201.00719	1.5
201.02454	2.3
201.05232	1.9
202.98555	1.2
203.04005	3.1
205.00247	1.7
205.01923	7.9
205.05457	1.5
207.01793	1.9
207.03552	4.6
207.05283	1.9
207.55386	2.6
208.04013	1.1
212.55949	1.7
215.00377	21.4
215.03972	2.0
216.55867	1.3
217.01915	21.7
217.05414	2.0
219.01663	1.3
219.03642	7.6
221.05063	5.6
221.12852	1.7
223.04550	1.3
227.08160	2.9
229.00024	1.6
229.02032	3.8
229.05574	1.7
229.12990	1.2
231.03661	1.3
233.01469	3.3
234.22633	1.1
235.03078	1.8
237.02704	2.6
239.14021	2.0
240.03607	1.6
243.07631	1.2
244.99615	1.3
245.09245	4.6
247.03038	16.1
259.06354	2.0
261.07773	2.5
263.00528	1.4
265.04108	6.2
269.05316	5.4
270.05826	1.8
271.06470	3.2
271.16562	5.5
277.04138	1.7
289.03998	4.0
289.07379	7.5
289.12000	1.8
289.14841	6.0
289.17862	2.0
307.05154	4.1
307.08804	4.7
311.06366	1.0
312.06711	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2031
Annotation	Leucylarginine
Peak:m/z	Relative Intensity
55.01864	1.7
55.05498	1.7
56.05018	1.9
56.96563	13.7
57.03421	1.2
60.04529	1.8
60.05649	18.3
61.02919	1.4
64.60357	0.8
65.03924	1.6
68.99780	1.3
69.03418	2.7
69.07063	3.0
70.06592	100.0
70.45896	0.8
71.04984	3.4
71.57726	2.0
72.08155	9.1
73.02911	1.8
74.06076	2.2
81.03412	2.1
82.06570	2.3
82.33587	0.8
83.04965	0.9
83.06096	0.9
84.04502	2.2
84.08137	6.1
85.02909	4.8
86.09705	38.4
87.10043	1.1
88.07627	1.6
89.60069	0.9
90.94819	1.6
91.50868	0.9
95.04970	1.0
96.05614	1.3
97.02892	2.8
97.07673	2.0
98.06033	3.7
98.97581	2.5
100.07658	1.0
103.02449	2.0
107.04964	2.6
107.83815	0.9
109.02895	1.7
110.06046	1.0
110.07172	1.9
111.04429	1.6
112.08735	11.5
113.96393	1.0
114.05553	1.4
115.08671	3.5
116.07108	13.5
116.98625	2.7
119.00166	0.9
119.01923	5.8
121.02761	1.2
121.03513	2.4
121.06516	1.1
123.04416	3.0
126.05496	1.5
127.03916	3.8
128.07089	5.3
128.98589	2.2
129.10291	2.1
130.08585	1.1
130.09752	3.8
131.01901	5.3
131.97481	1.2
132.05113	1.0
133.03456	1.5
134.99673	2.0
135.04419	4.1
137.02989	2.3
139.03903	47.4
140.08124	1.2
145.03531	1.6
146.99651	4.7
147.01419	2.2
148.04659	1.2
149.01144	1.0
149.03050	1.6
150.96867	1.6
151.03918	3.9
153.01833	2.0
156.11316	7.7
157.07594	1.4
157.10867	2.7
158.09239	8.3
160.08211	1.4
161.02948	3.4
161.67296	1.1
162.03323	1.0
163.03957	0.9
163.04640	1.1
165.00766	1.2
165.02403	1.4
166.12294	1.3
172.08189	2.0
174.00723	2.4
174.99150	5.4
175.04405	1.3
175.11902	40.0
183.01291	1.1
185.02919	1.2
189.00781	1.2
189.02437	1.9
190.09380	1.1
191.03975	2.0
193.00244	11.1
201.02419	2.6
203.04056	1.6
205.05176	2.4
206.06941	1.2
207.01872	1.2
207.03568	2.3
211.01201	1.5
219.03676	2.1
223.01239	1.4
224.08099	2.5
225.16971	1.4
228.17162	1.9
229.01991	2.7
229.15465	3.9
234.11890	2.5
237.02922	1.9
242.08713	1.8
244.10312	2.7
247.02977	3.3
253.16554	2.1
254.14830	1.2
257.16071	2.2
271.17682	10.8
288.05923	3.5
288.07904	1.3
288.20300	79.0
289.03876	2.8
289.06946	2.3
306.08572	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	288.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	9.9
56.05043	1.7
56.40597	0.7
57.05813	1.0
60.04522	1.0
60.05643	2.1
65.03947	2.9
67.05493	0.9
68.99792	4.7
69.03452	1.0
69.76896	4.7
70.00121	0.9
70.06595	8.7
71.01369	0.8
72.08154	100.0
76.30357	0.8
81.03412	1.3
84.08134	1.4
86.09703	47.4
89.03897	1.0
93.03426	0.8
95.04985	1.1
97.02843	0.9
105.03419	0.7
107.04951	6.3
111.00774	2.2
111.04446	8.5
112.01118	0.9
117.03358	1.4
118.08641	2.5
121.02869	2.9
121.06491	1.0
122.03194	1.7
123.04423	13.4
123.06351	1.0
127.03896	10.3
129.10239	28.8
130.06551	1.7
131.04918	1.4
132.10211	12.6
135.04408	32.9
137.02393	1.9
139.03900	22.3
139.04771	0.7
143.11790	21.1
145.06476	1.0
148.04753	1.2
149.02330	6.6
151.03932	6.4
153.01826	10.0
154.02135	1.9
157.06468	0.8
157.09734	11.1
161.05911	1.2
163.03874	6.7
171.02890	2.3
171.11316	4.1
172.04718	1.0
174.06360	0.9
175.11917	2.2
176.04251	2.4
179.03308	1.0
189.12346	11.6
200.04248	1.9
202.05841	1.7
204.03761	1.6
205.04965	1.9
213.05380	1.0
214.05840	2.7
215.06964	4.6
218.05327	1.5
219.06105	0.9
231.06541	1.5
242.05310	1.9
243.06592	4.5
246.04938	1.8
259.05804	3.3
260.06491	1.1
261.07590	1.8
270.04706	1.2
271.06033	5.2
279.11694	1.0
287.79324	0.7
288.05844	50.6
288.20404	5.8
289.06854	6.7
289.12396	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2369
Annotation	9-cis retinol
Peak:m/z	Relative Intensity
55.01871	2.6
55.05501	6.1
56.96561	3.3
57.07064	2.1
61.37860	1.9
63.00035	5.6
64.99721	2.1
65.03893	1.8
67.05495	12.0
68.99772	5.2
69.03432	3.1
69.07068	10.4
69.85094	10.9
71.04969	2.1
76.05793	2.0
77.78187	1.7
79.05492	10.2
81.07053	26.3
83.08610	5.1
91.05476	13.2
93.07045	14.0
95.04985	4.9
95.08611	19.1
97.02892	4.1
97.06519	3.5
98.97630	1.8
98.98452	6.8
103.05458	5.4
105.07030	15.3
107.04951	5.1
107.08588	16.8
107.94839	1.7
109.06490	3.6
109.10154	14.9
111.00775	1.8
115.54321	1.8
116.98672	3.1
117.07026	2.3
119.04964	2.1
119.08576	15.5
121.02875	5.0
121.06489	10.1
121.10160	9.1
123.04441	6.2
123.11718	5.9
125.00009	3.3
128.06215	2.2
129.06987	3.6
129.12953	1.6
130.93297	2.0
131.04929	4.1
131.08566	6.7
133.10133	9.6
134.99631	3.8
135.04434	2.1
135.11678	11.5
137.02359	4.2
137.05986	17.0
143.08580	3.5
145.10133	9.7
147.04428	4.2
147.11679	5.8
149.05951	1.7
149.13274	6.9
151.07596	2.6
153.01834	11.9
153.05432	3.3
157.10150	6.3
159.11719	8.4
161.05984	2.6
161.13251	6.2
163.03847	2.5
163.07610	2.8
163.14810	3.4
169.06471	2.4
171.04457	2.3
171.11684	4.9
173.13257	7.2
175.07510	2.7
175.14842	6.1
177.12662	2.5
177.16501	2.0
181.06584	2.2
185.05959	3.4
185.13239	3.3
187.14787	3.8
189.09137	2.2
190.95468	8.9
197.06010	4.7
199.03947	2.9
199.14842	5.2
201.05534	2.0
201.16399	8.1
203.03325	2.2
203.07039	15.8
208.96550	8.8
213.05449	4.4
213.16373	4.6
224.96632	2.7
227.10635	3.0
227.17833	3.3
229.19566	4.9
231.06517	3.1
241.04959	4.6
245.04361	2.0
250.97513	5.8
258.05136	2.1
269.12869	4.5
269.22614	18.9
287.05518	100.0
287.08823	6.3
287.12936	12.4
287.16205	2.1
287.23657	30.7
288.05856	7.5
288.25311	4.2
289.40308	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2369
Annotation	9-cis retinol
Peak:m/z	Relative Intensity
50.92719	0.8
53.03944	1.4
55.01878	1.4
55.05509	4.8
56.96553	3.0
57.07067	2.1
58.53915	0.8
65.03934	1.9
67.05508	9.7
68.99796	7.2
69.03426	1.8
69.07066	10.2
69.78473	2.8
69.78888	3.4
71.05003	4.9
76.44367	1.0
79.05490	10.8
81.07056	22.4
83.04984	0.9
83.08629	4.3
85.02888	1.0
91.05475	18.0
93.07045	15.7
94.04176	1.0
95.04979	2.7
95.08604	21.1
96.79367	0.9
97.02886	2.5
97.06515	1.1
98.98454	1.4
99.08095	4.3
105.07037	32.4
107.04926	1.7
107.08599	19.2
109.06512	4.1
109.10165	10.3
111.00806	2.7
111.04428	1.0
115.05453	1.6
116.98605	1.7
117.07019	6.9
119.08579	24.8
121.02872	4.8
121.06501	13.0
121.10148	8.9
123.04433	12.2
123.08067	1.6
123.11723	3.3
125.05988	2.8
127.11205	2.7
128.06197	2.9
129.06981	4.5
130.07771	1.9
130.93243	1.0
131.04929	1.8
131.08574	17.5
133.10138	11.2
134.10529	1.1
134.99696	1.7
135.04434	2.8
135.08102	1.3
135.11684	3.5
137.02376	2.0
137.05968	4.9
138.03136	2.6
142.07826	2.3
143.08562	10.7
144.09415	1.1
145.06522	2.0
145.10127	32.5
145.11288	1.6
147.04424	3.6
147.11682	9.8
149.13257	3.9
151.03899	5.5
153.01817	11.3
153.05472	25.2
155.08519	1.1
156.09299	1.4
157.06502	2.3
157.10127	11.4
158.10944	1.5
159.04459	1.5
159.11696	20.3
161.05869	1.3
161.13275	8.9
163.04047	1.5
163.14777	1.3
165.01846	2.6
167.03432	1.7
169.10170	1.3
171.04424	3.9
171.11682	9.2
172.12424	1.2
173.05885	1.2
173.13269	12.3
175.14841	4.0
177.05476	2.9
179.03394	5.6
179.14279	1.1
183.02875	2.5
185.06033	2.6
185.13232	6.2
187.14816	6.4
189.05508	1.2
189.16446	5.2
190.95421	1.8
191.14426	1.3
197.05861	1.0
199.03925	4.1
199.14813	12.3
201.05513	2.5
201.16386	72.8
202.16704	3.2
203.07062	10.3
203.17854	1.4
208.96529	1.9
213.05544	4.9
213.09097	2.6
213.16408	8.5
215.17978	3.1
217.04942	1.9
217.15959	2.1
219.06555	1.6
226.06215	2.5
227.06958	1.1
227.18001	2.6
231.17467	1.8
232.96434	1.2
239.07097	1.4
241.04950	2.6
241.08513	4.5
241.19431	1.7
242.05971	1.1
245.04385	3.6
250.97704	1.7
255.06613	1.3
269.04440	1.8
269.08102	4.5
269.22623	22.4
287.05536	100.0
287.08957	12.3
287.23676	39.6
288.05759	8.6
288.24124	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2368
Annotation	11-cis-Retinol
Peak:m/z	Relative Intensity
53.03939	0.8
55.01863	1.4
55.05510	6.3
56.96564	1.1
57.07068	1.2
65.03935	0.8
67.05506	5.6
68.65597	0.7
68.99789	6.2
69.03417	1.1
69.07072	10.0
70.25980	1.8
70.26384	0.9
71.04984	5.1
74.07204	0.7
79.05482	6.7
81.07053	16.7
82.69908	0.7
83.08643	4.1
85.02940	0.7
87.56284	0.6
91.05479	8.0
91.28334	0.6
93.07042	12.6
95.04952	2.3
95.08605	11.4
97.06508	1.4
97.10179	0.9
98.20913	0.8
103.05491	0.8
105.03385	1.0
105.07028	21.2
107.04937	3.7
107.08583	10.1
109.02901	0.9
109.06524	1.3
109.10161	7.1
111.00803	2.6
111.04476	1.3
111.11713	1.4
115.05454	1.1
117.07000	2.4
119.04892	0.7
119.08575	15.7
119.79598	0.7
121.02866	6.9
121.06487	2.5
121.10147	7.6
123.04467	1.0
123.11709	4.7
127.11169	1.9
128.06245	0.8
129.06999	1.7
131.08560	5.4
133.02827	1.4
133.10135	9.0
135.04387	1.6
135.08093	1.5
135.11679	7.3
137.02376	1.6
137.05971	1.6
137.09552	0.9
137.13254	0.9
139.11116	1.2
141.12718	2.2
142.07768	1.1
143.08546	3.2
145.10115	7.8
146.10831	0.8
147.04419	3.0
147.11684	16.6
149.02322	0.7
149.05992	1.4
149.13280	4.3
151.11333	0.9
153.01823	13.0
153.05414	1.5
154.02214	1.1
156.09325	0.8
157.06503	2.2
157.10130	6.7
159.11694	9.3
161.13271	8.2
163.03893	1.0
163.11179	1.1
165.01804	3.6
171.04375	3.8
171.11684	4.9
173.05997	1.6
173.13245	4.1
175.03903	1.3
175.14839	2.8
177.05498	1.1
177.09076	1.0
183.02931	1.6
185.05971	2.1
185.13272	2.4
187.14812	2.5
189.16301	1.2
199.03909	3.6
199.14763	3.3
201.05367	1.7
201.16383	5.7
203.03340	1.2
203.07036	2.0
213.05473	5.1
213.16357	6.7
214.12238	2.2
215.17957	0.9
217.04987	2.3
227.06947	1.0
227.17926	1.0
231.06648	1.5
241.04977	3.5
241.13388	1.4
245.04468	2.3
258.05197	1.9
259.09714	1.9
269.04361	1.3
269.12820	5.4
269.22601	3.6
272.06219	1.4
287.05496	100.0
287.08282	3.7
287.13770	4.4
287.23651	20.9
288.05820	8.8
288.23929	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2369
Annotation	11-cis-Retinol
Peak:m/z	Relative Intensity
53.03938	0.9
53.58988	0.7
55.01847	2.0
55.05505	6.5
57.07053	1.6
59.29343	0.8
67.05503	6.1
68.99788	6.8
69.03413	1.6
69.07065	12.5
69.28136	6.5
69.28539	1.2
70.75098	0.7
71.04992	6.2
73.10487	0.8
77.03963	0.7
77.26897	0.6
79.05482	6.0
81.07057	18.0
83.04971	1.1
83.08630	3.9
91.05480	8.5
93.07041	13.7
95.04957	4.0
95.08595	10.4
97.06518	2.2
103.05458	0.9
105.03391	1.1
105.07031	25.9
107.04955	4.5
107.08595	12.3
109.06521	2.1
109.10166	8.9
111.00771	1.5
111.08073	1.1
111.11681	0.7
117.07009	2.4
119.08580	17.7
121.02869	7.2
121.06505	3.1
121.10143	11.8
123.04463	1.3
123.11708	4.8
127.11189	2.6
128.06165	1.5
129.07004	2.6
130.22980	0.8
131.04961	0.8
131.08571	7.6
133.02863	1.4
133.10141	10.0
135.08035	1.0
135.11700	8.9
137.02342	2.5
137.07085	1.2
137.09598	1.1
137.13260	1.1
139.11221	1.1
141.06915	0.9
141.12746	2.9
142.07751	1.3
143.08559	3.8
145.06462	1.9
145.10130	11.0
147.04408	2.1
147.11693	21.2
149.05991	1.5
149.09637	1.5
149.13255	4.3
153.01820	10.6
153.05458	1.8
156.09366	1.3
157.06503	2.1
157.10139	7.9
158.10724	0.7
159.10449	1.1
159.11697	12.7
161.09598	0.9
161.13266	9.4
162.06741	0.8
163.03951	1.3
163.11275	0.8
163.14836	0.8
165.01814	3.8
171.04405	3.6
171.11667	5.6
173.05988	1.1
173.13284	4.7
175.03694	0.8
175.14842	2.0
177.05435	1.2
177.12770	0.9
183.02907	1.7
184.12611	0.7
185.05956	1.4
185.13342	3.5
187.14822	2.7
189.05402	1.4
189.16415	2.3
191.14430	0.8
191.95811	0.8
199.03951	3.3
199.14793	4.0
201.05441	1.9
201.16370	9.5
203.03429	1.8
203.07095	2.0
203.17941	0.9
206.10669	0.8
213.05392	4.2
213.16362	6.9
214.12259	2.6
215.18030	1.3
217.04924	1.5
219.06580	0.9
227.03310	0.8
227.06982	1.3
227.17877	1.6
229.19493	1.3
231.06447	1.0
241.04941	3.2
241.13460	1.0
241.19556	0.9
245.04495	2.9
258.05267	1.7
259.05978	1.8
259.09668	1.7
269.04477	1.3
269.12888	6.2
269.22610	5.8
272.06836	0.7
287.05499	100.0
287.14026	4.4
287.23672	27.2
288.05878	7.7
288.24112	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2368
Annotation	9-cis retinol
Peak:m/z	Relative Intensity
50.46918	1.8
53.03932	2.6
55.05512	11.8
56.96552	4.3
57.07045	2.7
62.99678	1.9
63.00039	3.5
63.91648	2.2
65.03912	3.1
67.05180	2.2
67.05505	28.2
67.33418	2.0
68.99770	6.6
69.03413	4.1
69.07063	18.5
69.83431	7.1
69.83834	5.1
71.04990	4.1
79.05489	20.7
81.07058	80.3
83.04964	3.3
83.08604	10.0
91.05479	22.3
93.07034	37.4
95.04950	6.4
95.08609	56.8
97.02891	4.3
97.06528	9.3
98.97577	2.5
98.98471	5.9
105.06384	3.8
105.07029	41.5
107.04962	4.7
107.08589	42.4
109.06501	7.0
109.10154	30.1
111.00823	4.6
111.08084	4.6
117.07001	9.6
119.07816	1.8
119.08582	44.1
120.08953	2.0
121.02857	5.6
121.06512	13.6
121.10153	32.2
123.04434	4.7
123.08072	6.0
123.11731	14.8
125.09648	4.1
128.06175	3.8
129.07019	6.1
131.05003	2.3
131.08559	20.5
133.10129	30.0
134.99622	4.5
135.11664	13.7
137.02271	3.2
137.09602	3.7
137.13269	3.1
142.07779	3.4
143.08578	12.0
145.10135	30.9
147.04375	4.1
147.11700	20.1
148.94336	3.3
149.09630	3.8
149.13264	17.8
151.11163	3.9
153.01846	7.9
153.05495	2.9
157.10123	12.7
159.04330	3.4
159.11691	31.8
161.13246	21.5
163.14873	11.7
165.01810	4.0
171.04332	3.7
171.11719	12.7
173.13258	22.6
175.04074	3.0
175.07469	3.3
175.14842	13.1
177.00700	2.2
177.16357	2.9
179.14297	2.2
185.13268	13.3
187.14784	13.4
189.16385	8.5
190.95459	8.1
191.14326	2.9
199.14851	13.5
201.16411	36.5
203.06976	18.6
203.08588	2.6
203.17932	6.1
205.15826	2.8
208.96440	5.5
213.05444	6.8
213.16396	18.8
215.17963	5.3
217.15813	5.5
227.17975	8.0
229.19522	13.4
231.17386	5.3
241.04871	2.6
241.19443	6.0
245.04381	2.3
250.97443	2.8
259.24231	5.2
269.22607	45.5
287.05511	98.6
287.08813	5.8
287.12802	4.5
287.23676	100.0
287.26910	4.8
288.05811	10.2
288.24274	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	287.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
55.05508	2.5
56.05018	0.6
56.96559	0.7
57.03433	1.5
58.06587	1.2
63.00037	0.7
65.03931	0.5
67.01867	1.1
67.05502	2.2
68.05023	0.5
68.99791	6.9
69.03422	0.9
69.07053	2.2
71.13589	1.4
73.60877	0.5
78.79387	0.4
79.05499	3.7
81.03413	0.6
81.07053	6.1
82.06564	1.0
83.04990	0.7
83.08632	0.6
84.04503	1.0
86.06081	2.8
89.03924	0.6
91.05468	2.6
93.07043	3.6
94.06583	3.2
95.04957	1.7
95.08601	2.4
97.06536	5.4
98.98476	0.8
103.05464	0.9
103.21463	0.4
105.07028	3.7
106.06607	0.6
107.04956	4.4
107.08570	2.6
108.08126	1.0
109.02883	1.1
109.06489	0.6
109.10159	1.9
111.00829	2.6
111.04433	0.6
112.07611	0.8
112.40633	0.5
115.05481	1.4
117.07022	1.8
119.08575	4.5
120.08095	1.7
121.02870	3.2
121.06505	1.6
121.10139	2.3
122.09680	1.4
123.04420	2.7
123.11732	1.3
125.05978	0.6
128.06250	0.8
129.07018	2.1
130.61400	0.5
131.04950	0.8
131.07327	1.2
131.08586	1.7
132.08076	3.6
133.06621	0.5
133.07600	2.2
133.08742	0.6
133.10121	1.9
134.03619	0.5
134.09639	1.0
135.04408	3.3
135.11691	1.4
137.02338	1.9
137.06003	1.0
138.09155	1.0
141.07021	0.7
143.08553	1.6
144.08081	3.9
145.06575	2.6
145.07516	0.7
145.08963	1.0
145.10115	2.5
146.08409	2.1
146.09662	2.1
147.04414	2.3
147.09155	1.0
147.11687	1.4
148.11244	1.7
149.05981	1.0
149.13254	0.8
153.01834	10.9
153.05487	2.9
153.06639	0.6
154.07735	0.6
155.08586	0.6
156.08070	0.7
157.06494	3.1
157.08952	1.3
157.10101	1.3
158.09666	5.4
159.04420	0.7
159.09282	0.5
159.10446	1.5
159.11668	1.4
160.10062	0.6
160.11243	3.0
161.02342	0.9
161.06010	0.8
161.10754	2.3
161.11914	0.6
161.13252	0.7
162.12775	0.8
163.03951	0.7
163.07579	1.4
165.01889	1.6
169.06441	0.7
170.09662	2.7
171.03001	1.1
171.04431	4.3
171.10442	1.1
171.11729	1.0
172.11215	7.5
173.05983	1.9
173.10733	1.1
173.12051	0.9
173.13332	1.4
174.11530	0.7
174.12842	0.6
175.03902	1.5
175.14861	0.6
176.09494	0.8
179.03287	0.7
183.02858	0.7
183.10397	0.6
184.11243	1.2
185.06042	2.6
185.12029	2.9
185.13362	0.8
186.12794	1.4
187.12349	2.3
187.14830	1.5
188.14343	0.7
189.05479	0.8
189.10231	8.7
191.06993	0.8
198.12706	0.7
199.03934	4.2
199.08824	0.7
199.11186	1.8
201.05424	2.1
201.08997	2.5
201.13885	2.2
201.16370	0.8
202.15961	0.6
203.03400	2.0
203.11768	0.6
204.12582	4.4
204.17479	5.6
213.05415	3.8
213.09123	0.9
213.16324	0.8
214.15906	14.7
214.17889	1.0
215.11931	3.1
215.15434	2.8
216.12613	1.2
216.17450	2.9
217.04962	1.7
217.13391	1.7
219.06541	1.8
219.10086	0.8
225.08987	1.2
226.12337	0.8
227.03389	1.0
227.07069	1.0
227.10629	8.1
231.06543	1.0
241.04938	2.9
241.08673	0.5
245.04478	4.5
258.05380	1.2
259.06052	1.2
259.09631	1.1
269.04462	1.7
269.12726	1.7
269.22659	1.4
274.78287	0.5
287.05521	100.0
287.08615	4.7
287.13644	2.9
287.21161	68.6
287.23557	3.7
288.05896	8.3
288.09650	1.4
288.21487	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.6
55.01862	2.3
55.05506	1.6
63.00057	1.6
65.03931	1.8
65.68170	1.3
67.05500	8.1
68.05022	2.6
68.99791	28.9
69.00162	1.9
69.03423	1.8
69.07074	17.9
69.59008	5.7
69.59446	4.8
70.06586	2.8
79.05482	6.0
80.05013	4.1
81.03406	2.1
81.07043	4.7
84.08135	1.4
85.06517	1.3
88.04002	1.3
91.05476	11.6
93.05765	4.5
93.07062	2.8
94.06567	34.1
95.04954	7.5
96.04510	2.0
97.06506	5.0
98.21478	2.6
104.04980	4.7
105.04513	1.7
105.07005	2.3
107.04947	5.8
107.07291	1.7
107.08563	1.8
109.02844	2.1
109.06503	1.6
110.06033	2.8
111.00777	6.9
112.07603	5.0
115.05445	2.6
116.04977	4.1
117.05743	2.3
117.07014	2.1
118.06543	100.0
119.07347	15.9
120.08132	9.4
121.02888	2.7
121.06494	3.9
122.06038	50.6
123.04420	4.2
124.07574	2.7
128.06177	2.6
130.06531	1.2
132.08047	2.2
134.05988	2.5
137.05966	2.1
140.07065	57.7
141.06982	2.2
142.08594	3.0
143.04893	2.1
144.08107	2.3
145.06552	3.5
146.06010	37.5
146.07098	2.5
147.04384	5.2
147.06783	22.6
148.07574	83.9
149.02356	3.5
149.07904	1.5
150.03130	1.6
153.01823	1.5
153.05444	4.1
157.06462	5.5
158.09537	1.6
161.05927	1.4
164.07079	4.9
168.07997	1.6
171.04413	21.3
171.10417	3.1
173.05923	6.8
173.08301	1.7
174.05527	2.2
175.03912	7.6
177.05536	3.0
181.08878	2.1
182.09665	1.6
183.10455	1.5
185.06001	5.4
186.09094	2.6
188.10741	3.5
189.05426	3.0
189.11470	5.3
195.04362	1.7
196.11211	3.6
198.09221	1.8
199.03918	22.8
199.09966	4.7
201.05453	8.3
203.03398	6.1
209.09636	2.4
213.05452	14.2
213.13750	1.3
214.12248	9.3
216.13870	3.2
217.04973	12.7
219.06578	7.4
224.10683	2.6
226.12418	8.6
227.03275	6.7
231.06549	4.1
234.81546	1.5
241.04869	10.1
241.09665	1.5
241.13345	5.6
242.11751	37.6
243.12355	3.1
243.14926	38.9
245.04482	19.5
252.10194	1.7
258.05496	1.4
259.06131	3.0
259.14395	2.1
269.04440	6.9
269.12894	26.1
270.11246	39.4
271.11594	2.2
287.05505	91.3
287.10361	4.0
287.13864	25.4
288.05856	5.1
305.14853	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	287.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	0.5
65.03934	1.0
67.05492	2.0
68.99436	0.9
68.99793	10.1
69.03423	0.7
69.07074	2.9
70.06596	0.7
71.32045	0.9
73.17997	0.5
77.03943	0.5
79.05487	1.6
80.05029	0.5
81.03421	0.7
81.07059	0.7
86.09698	0.7
91.05491	3.6
93.07037	0.8
94.06556	4.1
95.04958	1.7
95.08581	0.5
97.06514	1.0
104.04971	0.6
105.03400	1.2
105.07024	0.6
107.04941	2.5
108.08142	0.9
109.02868	0.9
110.06046	0.8
111.00800	4.6
111.04426	0.6
112.07602	0.7
115.05472	1.1
117.05753	1.1
117.06998	0.7
118.06544	17.3
119.07330	3.7
119.08521	0.6
120.08102	2.7
121.02869	5.5
121.06497	1.3
122.06025	8.5
123.04408	1.2
128.06271	0.9
129.07036	1.0
129.22847	0.5
133.02864	1.2
135.04385	0.8
137.02341	2.4
138.02980	0.6
140.07057	11.2
145.06482	1.8
146.06007	100.0
147.04425	2.5
147.06822	6.4
147.75485	0.5
148.07571	14.8
148.08710	1.0
149.02344	0.9
149.05997	1.3
151.03923	0.5
153.01836	7.3
153.05449	1.6
155.04855	0.7
157.06499	2.6
163.03926	0.6
164.07127	0.8
165.01840	2.6
171.02997	1.0
171.04379	6.3
173.05951	1.6
174.05565	0.6
175.03912	2.2
177.05421	1.2
181.10144	0.7
181.89052	0.6
183.02873	1.0
185.06009	2.4
189.05467	1.2
189.70673	0.6
199.03937	7.9
199.09825	1.0
201.05444	3.5
203.03368	3.1
209.09688	1.2
213.05406	6.3
214.12219	1.0
217.04987	3.4
219.06599	2.3
226.12315	0.9
227.03436	1.5
227.10677	0.6
229.05156	0.6
231.06483	2.3
241.04953	4.3
241.09853	0.7
242.05690	0.6
242.11740	4.3
243.14963	3.7
244.52115	0.6
245.04453	6.3
258.05170	1.3
259.06030	1.8
259.09494	0.8
269.04443	3.1
269.12820	3.5
270.11258	4.6
287.05499	75.8
287.10370	1.9
287.13748	4.5
288.05783	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	287.1278
Annotation	Diphenolic acid
Peak:m/z	Relative Intensity
51.02368	0.5
53.03935	2.0
55.01849	1.5
55.05492	1.5
56.96531	0.6
57.03425	0.9
57.07053	0.5
65.03911	0.7
67.05511	2.5
68.99792	4.9
69.03423	0.7
69.07059	3.4
70.08160	0.5
70.80687	1.2
70.81017	0.5
71.01340	0.6
71.04969	1.3
77.79203	0.5
79.05499	3.9
81.03421	2.5
81.03799	0.5
81.07058	4.7
83.04969	0.6
83.08592	0.6
85.06561	0.5
91.05486	2.7
91.36001	0.5
93.03393	0.6
93.07040	4.3
95.04942	1.9
95.08614	2.8
97.06506	0.9
103.05477	0.8
105.03392	0.5
105.07024	5.7
107.04949	1.6
107.08567	2.5
109.02867	1.3
109.10139	2.0
111.00773	2.2
111.04420	0.6
111.08012	0.4
115.05449	1.8
117.06995	2.3
119.08579	4.3
121.02867	6.9
121.03754	0.8
121.06509	1.5
121.10125	2.3
123.04399	2.1
123.11703	1.7
128.06216	1.7
129.06998	3.0
131.04900	1.0
131.08533	1.8
133.02837	1.3
133.06473	1.0
133.10104	2.4
135.04373	1.1
135.08058	0.7
135.11671	1.3
137.02351	2.7
137.06007	0.6
137.55469	0.4
140.57535	0.5
141.07022	2.8
142.07753	1.2
143.04874	0.5
143.08562	2.4
145.06470	2.0
145.10101	3.1
147.04420	2.6
147.11668	3.9
149.05978	1.1
149.09531	0.5
149.13232	0.7
152.06192	5.1
153.01834	12.0
153.05466	1.9
153.06970	5.6
154.07736	1.5
155.04913	0.6
155.08557	1.2
156.09285	0.6
157.06456	3.0
157.10112	1.9
158.07269	0.7
159.04501	0.7
159.08076	0.8
159.11696	2.5
161.05978	1.9
161.13220	2.0
163.03865	0.8
163.07562	0.5
165.01913	2.7
165.06993	5.0
166.07774	8.6
167.08563	13.2
168.05681	1.4
169.06499	1.6
169.10088	2.8
170.07266	1.3
171.04427	2.0
171.08002	1.3
171.11681	2.0
172.08929	0.4
173.05992	7.5
173.09561	2.4
173.13193	1.1
175.03903	1.4
175.07527	2.2
175.14798	1.4
177.05507	0.6
178.07709	1.1
179.08556	2.2
180.05698	0.9
180.09366	0.9
181.06491	6.9
181.10112	22.2
182.07196	0.7
182.10487	0.5
183.02852	1.2
183.08116	1.1
184.05260	0.6
185.05978	2.7
185.09604	13.5
185.13213	1.4
186.06841	0.7
187.07539	1.7
187.14809	1.0
188.08308	7.7
189.05444	0.9
189.09029	0.6
189.16389	0.6
190.07791	0.5
191.07040	0.8
191.08582	1.4
194.07269	19.4
195.08043	8.2
195.11703	4.9
196.08908	1.1
197.05978	1.8
197.09650	4.6
198.06747	2.5
199.03893	2.4
199.07535	3.3
199.09035	0.5
199.09581	0.4
199.11179	3.8
201.05449	1.2
201.09123	11.3
201.16394	1.8
203.03392	1.1
203.06992	1.1
205.10144	0.9
207.08047	1.2
208.08795	1.4
209.09610	62.8
210.06812	1.0
210.10052	2.3
211.07539	0.5
212.08241	1.3
213.05453	4.6
213.09023	1.4
213.12613	0.6
213.16406	1.4
215.07028	1.0
215.10651	0.8
217.04996	1.7
219.06554	0.7
221.05635	0.5
221.07671	0.5
223.07668	1.0
223.11179	25.0
224.11517	0.6
225.09099	27.1
225.12772	1.5
226.09583	0.6
227.07014	1.4
227.10661	47.7
228.10977	1.1
231.06569	1.6
233.09554	0.8
240.07819	1.3
241.04936	3.1
241.08568	0.6
241.12140	5.4
243.10133	1.2
245.04492	2.3
245.11734	1.3
251.10649	7.4
258.05185	2.6
259.05960	1.3
259.13333	1.1
269.04398	1.0
269.09555	0.6
269.11722	26.6
269.22672	2.1
287.05502	100.0
287.12646	18.8
287.23621	6.6
288.05835	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1276
Annotation	3'-Hydroxy-3,4,5'-trimethoxystilbene
Peak:m/z	Relative Intensity
53.03959	1.0
55.05514	1.5
56.96549	2.1
63.00033	3.5
64.99733	1.0
65.03938	1.6
67.05483	3.2
68.99773	3.6
69.07047	3.3
70.80048	1.9
70.80379	1.6
79.05482	5.6
81.07047	7.6
82.46584	0.9
83.04980	1.4
85.90297	0.9
91.04906	1.6
91.05477	26.7
92.74020	0.9
93.07040	5.5
94.04135	1.2
95.04969	6.0
95.08601	5.5
97.02896	6.4
98.97566	1.6
98.98457	6.4
100.09704	0.9
103.05463	24.7
104.98530	1.0
105.07022	7.2
107.04930	5.3
107.08566	3.3
109.06503	3.2
109.10155	2.9
111.04424	3.8
115.05443	1.5
116.98566	1.1
119.04911	6.4
119.08551	3.1
120.05719	1.1
121.02865	2.7
121.05656	1.5
121.06498	21.5
121.10141	2.8
123.04420	18.5
123.11646	1.6
125.00024	1.5
128.06210	1.8
129.07010	1.8
130.93315	1.4
131.04929	27.4
131.08517	2.8
132.05675	1.4
133.02919	1.3
133.10159	2.1
134.03627	2.9
134.99646	1.1
135.04402	2.7
135.08055	5.1
135.11681	1.3
137.02382	1.1
137.05975	32.2
138.06688	1.2
138.24261	0.9
139.07538	1.5
141.06938	2.2
142.07750	1.0
143.04922	1.3
143.08434	1.6
145.06493	1.2
145.10114	4.5
147.04366	2.9
148.05153	3.0
148.94366	2.1
149.05981	14.5
151.03912	1.5
151.07542	20.5
152.06171	3.0
153.00687	1.1
153.01801	4.4
153.05408	1.3
153.06938	1.4
157.06531	1.3
157.10086	2.6
159.04414	3.8
159.11670	3.9
160.05246	1.7
161.05919	2.9
161.13261	1.4
162.06760	1.0
163.03873	2.8
163.07550	13.7
163.14687	1.1
164.08298	4.3
165.06966	5.3
165.09087	2.3
166.07721	1.8
167.08521	3.0
168.05705	1.6
169.06430	5.9
169.10146	0.9
171.04375	2.4
173.13254	2.8
175.07539	2.1
177.09084	3.3
180.05692	2.9
181.06491	6.8
182.07304	1.1
183.07916	2.1
184.08847	1.6
185.06050	1.2
185.09567	1.2
188.04735	1.6
188.08331	1.2
189.09172	2.0
190.95406	4.4
195.08063	13.3
196.08846	9.0
197.05927	9.7
198.06664	1.7
199.04050	1.6
199.11317	1.0
199.14784	1.0
201.09039	2.9
201.16344	2.9
203.07002	27.4
208.96446	4.0
209.05945	1.0
209.09494	1.3
211.07529	6.7
212.08318	14.0
213.05450	3.6
213.09055	5.2
213.16400	3.0
214.06261	1.2
223.07614	5.3
224.08293	3.3
224.96690	1.3
225.05472	3.7
225.09026	2.5
227.07130	1.2
227.10632	21.1
227.17897	1.3
229.08609	3.2
229.19507	1.4
232.96510	2.7
239.07030	2.2
240.07843	7.8
241.04845	1.3
241.08612	4.2
243.10126	1.3
245.04337	1.4
250.97491	2.3
254.09193	1.7
255.10170	17.4
256.10947	7.2
257.08029	3.0
259.09552	1.3
269.12677	2.2
269.22598	4.4
272.10458	7.6
287.05597	42.4
287.09131	5.7
287.12735	100.0
287.23593	8.6
288.05740	2.1
288.13235	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	287.1278
Annotation	Tupichinol A
Peak:m/z	Relative Intensity
58.53937	1.2
67.05494	2.0
67.49415	1.2
71.03435	3.4
72.19951	1.1
91.05474	5.2
93.07033	1.6
95.04961	5.3
103.42249	1.1
105.07016	1.1
117.07018	1.4
121.06503	21.6
123.04428	100.0
124.04768	2.6
139.07520	4.4
145.06415	1.4
146.07254	2.8
147.08003	2.2
149.05943	5.6
151.07545	54.4
152.07950	1.8
162.06743	2.1
165.09143	5.8
177.09105	21.4
260.70477	1.2
287.05539	5.6
296.75247	1.3
304.72260	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
56.09535	0.4
57.03440	1.9
61.02916	1.9
65.62574	0.4
66.03457	0.8
69.03078	0.7
69.03423	7.0
69.13193	0.4
70.83031	1.3
71.04984	0.8
73.02900	1.6
80.05010	7.4
81.03421	2.0
85.02901	16.0
87.04465	0.9
91.03957	0.8
95.06066	0.7
96.06857	1.7
97.02887	4.3
99.04448	1.3
107.04973	0.5
107.06076	2.2
108.06814	0.7
109.02876	1.2
109.07629	0.9
121.06545	0.4
125.07109	100.0
126.07496	0.7
127.03898	3.9
145.03871	0.5
145.04962	1.4
153.01848	0.9
165.01834	0.7
250.16658	0.4
287.05457	4.1
287.10782	0.6
305.11145	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1124
Annotation	Isohomoarbutin
Peak:m/z	Relative Intensity
53.03920	2.7
55.01862	1.9
56.96531	2.4
57.03428	7.1
61.02917	7.7
63.00043	4.6
64.99751	1.7
65.03942	12.2
67.05484	1.7
68.99774	10.1
69.03448	1.5
69.07086	4.0
70.06596	2.9
70.08536	6.3
70.08948	3.5
70.70644	1.6
75.04471	7.6
79.05495	16.8
81.03416	2.1
84.08143	2.4
85.02888	2.9
89.03960	3.1
91.05480	5.8
93.03432	4.9
95.04980	9.1
96.06892	2.4
97.02884	3.2
98.98489	4.2
105.03391	3.1
107.04954	29.7
108.02116	1.9
109.02868	3.1
110.03646	23.6
111.00823	3.0
111.04447	21.8
115.05476	3.3
116.98637	2.6
119.04928	1.8
121.02846	2.5
121.06496	17.7
122.03645	4.3
123.04427	7.9
125.06001	69.3
125.07092	9.1
129.07042	2.6
131.04987	2.5
133.02846	11.7
134.99625	1.8
135.04417	21.9
137.02348	3.6
137.05949	8.4
140.07057	2.1
141.05466	3.7
145.06480	2.7
146.06003	6.5
147.04463	2.8
149.02379	4.1
149.05984	19.3
150.03136	7.9
151.03909	76.6
151.05006	5.7
152.04626	3.7
153.01837	4.8
153.05476	7.6
157.06479	2.8
157.51056	1.7
161.05942	2.6
162.03113	5.1
163.03922	10.0
163.07474	3.5
163.16899	1.8
165.05458	25.7
165.06708	2.5
167.07072	17.2
171.04388	4.0
171.07669	7.8
173.05904	2.1
175.03952	4.9
177.05473	27.9
180.04147	10.7
183.06532	1.9
185.05981	4.7
186.07497	2.8
193.04997	2.3
195.06471	12.0
199.03874	5.5
199.09644	4.7
203.03395	4.2
212.04726	4.0
213.05478	9.4
213.07556	8.1
219.06514	4.2
225.07605	8.4
227.06978	2.9
231.06612	1.8
240.04164	5.1
241.04878	4.2
245.04471	6.0
251.09067	2.5
259.06055	3.2
269.04489	5.9
269.10226	4.2
269.15060	3.9
272.60342	2.5
287.05515	100.0
287.11017	33.0
287.16196	6.8
288.05914	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	287.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03493	1.1
55.01861	1.0
55.05494	1.2
56.96555	2.5
57.03452	1.8
61.02922	1.2
63.00018	1.3
64.09270	1.0
64.99730	1.2
68.99774	3.6
69.03424	2.3
70.06590	7.5
71.04974	1.8
71.57510	1.9
79.05467	1.5
80.05806	1.1
81.03426	2.2
81.07040	2.8
83.06087	2.7
84.04500	1.7
84.08137	1.8
85.02910	4.9
86.09671	1.4
91.05464	1.7
95.06068	1.7
97.02891	3.7
98.97601	1.6
98.98447	3.0
107.04926	2.8
109.02888	1.2
109.06512	1.0
110.07166	10.4
111.00790	1.2
111.06839	1.4
111.07491	7.1
112.07590	4.6
113.07920	3.0
115.05441	1.3
116.98597	2.3
119.01878	5.5
121.02872	1.8
121.06519	6.8
124.07571	1.3
125.07095	4.4
125.07936	2.2
127.03924	1.2
129.48067	1.0
130.06488	1.7
130.70348	1.0
131.01923	1.4
134.99670	1.8
140.07027	2.6
141.07460	1.5
143.01852	5.3
146.06029	1.6
146.38513	1.0
147.04486	1.1
153.01790	1.8
156.02901	1.6
156.07764	1.3
157.08038	1.2
161.02963	9.6
163.12302	2.1
164.12677	7.2
177.00626	1.0
184.00557	1.2
185.06052	1.1
186.07635	4.0
199.03871	1.3
209.14874	2.2
213.05522	2.5
221.04997	1.3
237.02881	1.9
237.14175	1.2
255.15327	3.7
269.04443	1.2
287.05771	27.8
287.10986	100.0
287.17801	11.1
288.11295	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	287.0912
Annotation	(6aR,11aR)-3,8-Dihydroxy-9-methoxypterocarpan
Peak:m/z	Relative Intensity
55.05504	4.5
56.96576	5.2
57.08775	0.8
63.00033	1.7
65.03930	2.1
67.05507	5.6
68.99785	7.1
69.03416	1.9
69.07059	3.7
69.54517	7.9
71.04990	1.6
79.05490	7.9
81.07052	15.0
83.04951	1.1
83.08611	2.3
89.03917	1.6
91.05468	6.0
93.07041	9.1
95.04958	3.5
95.08610	10.6
97.02886	3.1
97.06550	1.2
97.10156	1.1
98.21482	1.9
98.97538	1.1
98.98476	1.4
103.05466	1.4
105.07027	11.6
107.04955	2.1
107.08595	10.6
109.06487	1.2
109.10148	6.8
110.03658	2.3
111.00784	1.0
111.04444	1.5
116.98627	1.3
117.03305	1.0
117.07024	2.2
119.04961	2.1
119.08590	12.0
121.02858	3.5
121.06498	6.7
121.10160	6.7
123.04431	4.9
123.08010	1.3
123.11696	3.2
125.05990	2.9
125.09612	1.0
129.07028	2.2
130.07790	1.1
131.08578	5.2
132.80600	0.8
133.02873	2.4
133.10124	7.2
134.99689	2.1
135.04398	1.3
135.08035	1.5
135.11717	3.8
137.02324	2.3
137.05931	1.9
138.03122	19.4
141.06978	1.3
142.07713	1.4
142.85536	1.0
143.08566	3.8
145.06456	1.1
145.10114	9.9
147.04382	6.0
147.11678	6.1
148.94377	1.0
149.05939	1.7
149.13309	1.8
151.03891	1.0
153.01881	6.6
153.05461	100.0
157.06465	1.2
157.10112	4.0
159.04388	1.3
159.11699	6.9
161.13255	4.2
162.03177	1.7
163.03929	1.5
165.01839	2.7
167.03389	4.1
171.04405	1.6
171.08076	0.9
171.11720	4.6
173.13277	5.2
175.14845	2.9
177.05449	5.3
181.06505	1.9
183.02855	1.1
185.00839	1.4
185.06013	1.2
185.13278	1.9
187.14899	1.2
189.16417	2.0
190.95398	3.8
193.05037	1.0
199.03885	1.4
199.07687	1.4
199.14827	3.8
201.05283	1.3
201.16376	13.6
203.03526	1.1
203.07034	13.9
208.96457	3.0
209.06012	2.7
213.05524	1.6
213.09212	1.4
213.16354	4.4
215.17889	1.3
217.15857	1.2
227.07132	1.2
227.18028	1.7
229.19472	2.9
232.96461	1.6
241.04921	2.6
241.08591	2.0
245.04637	1.0
250.97484	2.7
255.06546	4.0
258.05017	1.5
259.05688	1.1
259.09720	1.3
269.04416	1.3
269.08032	2.1
269.22604	9.4
281.07501	3.3
287.05481	59.8
287.08975	13.2
287.12296	1.4
287.20389	1.3
287.23648	20.5
288.05869	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.091
Annotation	Eryvarin L
Peak:m/z	Relative Intensity
55.24715	0.8
67.05492	1.3
68.99767	1.2
69.44949	7.7
79.05477	2.5
79.65156	0.9
91.05447	1.1
95.04945	4.0
107.04954	100.0
108.05310	0.9
118.48859	0.7
119.08510	0.8
120.82207	0.9
121.02869	1.0
123.04421	13.7
123.05233	1.6
128.06174	1.0
133.02844	0.8
138.03116	12.3
145.06473	1.4
147.04492	1.3
153.05464	66.4
154.05646	0.9
155.04817	1.0
173.05942	3.6
181.06502	1.6
184.05159	1.8
197.05971	2.4
198.06525	1.7
199.07564	2.9
200.53008	0.9
201.05461	2.3
212.04666	3.9
213.05411	2.0
225.05470	2.5
226.05859	2.8
227.07053	4.7
229.04942	3.8
239.03505	1.1
243.06473	1.5
244.07010	4.4
254.05508	1.8
255.06482	4.0
256.07376	2.3
257.04443	12.3
259.09659	34.1
272.06726	17.7
287.05508	6.3
287.09048	65.4
288.09171	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0914
Annotation	2'-O-Methyllicodione
Peak:m/z	Relative Intensity
53.03934	0.5
55.01862	0.8
55.05512	2.7
57.07078	1.6
57.52716	0.3
59.04961	0.3
65.03928	2.8
67.01859	0.6
67.05226	0.3
67.05505	3.9
67.48096	0.3
68.99433	0.6
68.99786	8.7
69.03413	1.0
69.07064	5.3
69.78081	2.1
71.04988	0.4
71.08628	0.8
79.05052	0.5
79.05486	4.1
80.55264	0.3
81.03422	0.7
81.07056	8.7
83.04971	0.5
83.08608	1.4
83.75552	0.3
89.03916	1.3
91.04965	0.4
91.05480	4.3
92.04981	0.5
93.06477	0.5
93.07039	7.3
94.06586	0.3
95.04959	4.9
95.08047	0.6
95.08602	7.1
96.08118	0.7
97.06516	1.1
97.10171	0.8
98.98473	0.4
99.08095	0.3
103.05469	0.5
105.03394	1.2
105.07024	6.2
106.06533	1.2
107.04951	3.9
107.07349	0.7
107.08591	5.1
108.02090	4.0
109.02863	1.3
109.06524	1.4
109.10159	4.7
110.06062	3.1
111.00771	2.7
111.04438	1.8
111.08070	0.5
111.11700	0.8
115.05434	1.0
116.04947	0.8
117.03368	0.9
117.06997	1.4
119.04968	0.5
119.08575	5.1
120.03612	0.6
120.04459	9.1
121.02876	6.8
121.03854	0.7
121.06488	1.1
121.10139	5.1
122.06036	0.8
123.04415	3.4
123.08047	0.6
123.11713	3.1
124.07581	7.0
125.07559	0.5
125.08373	6.8
126.09151	12.2
127.03899	0.4
129.07005	1.2
131.04945	0.5
131.08568	2.5
133.02814	1.1
133.10136	4.9
134.06012	2.3
135.04416	2.8
135.08051	0.6
135.11665	2.7
137.02350	2.5
137.05977	1.0
137.09586	0.4
137.13245	1.2
139.05446	0.4
139.11189	0.7
141.07021	0.6
142.07735	0.5
143.08572	1.3
144.04425	0.9
145.02846	1.1
145.06497	1.6
145.10083	3.2
147.04385	2.4
147.11673	2.9
149.02394	0.6
149.05922	0.6
149.09639	0.7
149.13261	1.9
151.03896	95.1
152.04202	0.9
153.01825	8.5
153.05481	1.5
154.02629	2.3
157.06474	2.1
157.10118	2.1
159.08095	0.3
159.11684	2.8
160.50964	0.4
161.05954	0.8
161.13275	2.0
162.05498	58.4
163.03903	4.7
163.06146	0.7
163.11142	0.6
163.14812	1.1
164.07036	1.0
165.01796	2.5
165.12743	0.3
166.02682	0.3
167.08586	0.5
171.04362	3.8
171.11713	1.3
173.05925	1.7
173.13243	2.4
175.03915	1.2
175.07613	0.7
175.11235	0.8
175.14786	1.6
177.05513	1.5
177.12756	0.8
181.06482	0.7
183.02882	1.7
185.05920	2.1
185.13249	0.8
187.14824	1.3
189.05486	1.0
189.09195	0.5
189.16373	0.7
191.14217	0.5
197.05965	0.8
199.03905	4.7
199.07538	0.8
199.14737	0.6
201.05482	1.8
201.16446	0.7
203.03310	1.5
203.17937	0.4
209.09598	0.6
213.05443	5.4
213.16359	1.8
217.04930	2.3
217.15886	0.5
219.06520	1.2
225.09142	0.5
227.03398	1.3
227.07004	0.8
227.10583	0.6
227.17989	0.6
229.04872	0.9
229.19431	0.9
231.06528	1.5
231.17427	0.7
238.60973	0.3
241.04933	3.2
241.08568	0.7
242.05676	0.5
243.10223	0.8
243.21127	0.8
244.06418	1.1
245.04404	3.6
245.12830	1.6
255.06598	0.5
256.07013	0.4
257.04333	0.8
258.05231	2.1
259.06021	1.4
259.09692	1.1
263.13947	2.2
269.04865	1.7
269.08084	3.0
269.11865	0.7
269.22589	3.5
270.05112	0.4
272.06699	4.6
287.05490	100.0
287.09030	27.6
287.13791	4.6
287.23654	10.1
288.05865	2.6
288.09247	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0915
Annotation	Dihydrobiochanin A
Peak:m/z	Relative Intensity
51.02388	0.8
53.03940	1.5
55.01864	1.8
55.05500	2.0
57.03437	1.6
63.00061	1.8
64.99741	0.8
65.03935	1.3
67.05518	4.5
68.99790	7.5
69.03419	2.0
69.07071	3.7
71.58649	1.1
75.04519	0.6
77.39594	0.7
79.05493	6.5
81.03395	1.6
81.07072	4.8
83.04977	1.0
85.02903	1.1
91.05476	3.0
93.07035	2.6
95.04971	6.6
95.08599	3.3
97.06527	5.3
98.98487	1.1
103.05470	3.3
105.03381	1.3
105.04477	1.0
105.07007	3.9
107.04957	56.7
107.08575	2.4
109.02832	0.9
109.10130	1.7
110.16519	0.8
111.00809	2.9
115.05460	3.5
117.07056	2.7
119.08565	3.1
121.02895	6.0
121.06502	3.3
121.10145	2.5
123.04436	12.7
126.05508	1.2
128.06219	2.1
129.07014	2.9
131.04910	6.4
131.08516	1.6
132.05745	0.9
133.02849	1.2
133.06491	1.8
133.10129	1.4
135.11739	1.1
137.02341	3.1
137.05965	0.9
138.03156	5.9
141.06985	2.6
143.04913	0.9
143.08565	1.9
145.06500	4.9
145.10155	2.3
147.04424	5.0
147.11650	1.7
149.02373	0.9
149.05977	2.3
153.01846	9.9
153.05467	40.4
157.06494	3.5
157.10144	0.9
159.08109	1.0
159.11711	1.2
160.05190	1.7
161.06021	2.7
165.01840	2.3
166.07729	0.7
167.03378	0.8
169.06598	1.7
170.07291	1.1
171.04385	4.6
171.08081	2.4
171.11697	1.3
173.05923	5.5
177.05475	1.2
181.06413	1.4
181.10031	1.3
183.08041	1.1
184.05225	2.0
185.05997	3.9
185.09615	1.4
185.13327	0.9
187.07582	1.0
188.08298	1.7
189.05562	1.3
190.95430	1.2
191.07076	1.0
197.05934	2.1
198.06638	1.6
199.03882	5.2
199.07481	3.5
199.11183	1.7
199.14798	0.9
201.05530	4.7
201.09109	3.2
201.16353	1.1
203.03429	1.7
203.07031	1.0
208.96410	1.4
209.09653	1.5
212.04659	1.7
213.05469	6.5
216.04013	1.3
217.04971	3.1
219.06573	2.9
223.11148	0.8
225.09146	1.2
226.06007	0.9
227.03406	1.1
227.07033	3.0
227.10640	9.4
229.04900	3.1
231.06531	1.3
232.96384	1.4
241.05029	3.6
241.12141	0.9
243.06622	1.3
245.04460	4.5
245.08171	7.3
250.97531	1.2
255.06531	2.7
256.07312	0.9
256.09833	0.9
257.04489	10.5
258.05011	1.4
259.06232	1.9
259.09677	19.3
269.04385	1.9
269.11807	1.0
269.22577	1.9
272.06747	12.0
287.05493	100.0
287.09070	34.4
287.12720	13.5
287.19791	1.3
287.23538	2.2
288.05814	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65406	0.2
55.01862	0.2
61.57904	0.2
65.03931	0.5
67.01851	0.5
68.99789	2.4
69.03417	0.4
70.83673	0.4
70.84025	0.2
79.05483	0.5
81.03423	0.2
87.49423	0.1
95.04955	0.5
103.05421	0.2
105.03410	1.1
107.04967	1.1
109.02919	0.8
111.00798	1.6
111.04420	0.4
111.86926	0.2
119.04932	0.2
121.01991	0.4
121.02866	7.2
121.46558	0.2
127.03904	0.3
128.06213	0.3
129.07011	0.5
133.02853	0.9
135.04425	0.5
137.02345	2.2
140.85666	0.2
141.06947	0.5
145.06456	0.7
147.04381	1.2
153.01825	11.0
154.02217	0.2
157.06444	1.8
161.05975	0.6
165.01840	3.9
171.04390	1.1
175.03854	0.2
183.02917	1.5
184.05275	0.2
185.05951	1.1
189.05467	0.5
197.05974	0.3
199.03859	0.3
201.05400	0.2
203.03355	0.4
203.06941	0.3
213.05472	4.0
229.04973	0.5
231.06482	1.4
241.04898	1.7
242.05823	0.2
245.04604	0.4
258.05243	2.7
259.06058	1.1
269.04553	0.5
287.05490	100.0
288.05792	4.0
288.08810	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.2
62.08945	0.1
65.03930	0.6
67.01857	0.3
67.05473	0.2
68.99437	0.2
68.99786	2.7
69.03404	0.2
69.30811	1.4
69.31218	0.3
71.01357	0.2
71.02936	0.1
74.60579	0.1
79.05502	0.7
80.26111	0.1
81.03410	0.3
81.07043	0.2
89.03883	0.2
91.05430	0.2
93.07021	0.2
95.04935	0.6
97.02875	0.4
98.97588	0.2
103.05442	0.3
105.03394	0.9
105.06995	0.2
107.04958	1.1
108.02091	0.3
109.02860	0.7
111.00803	1.7
111.04448	0.8
111.05111	0.1
114.93727	0.2
115.05467	0.3
117.07007	0.3
119.04981	0.2
121.02865	7.6
121.03852	0.5
122.03126	0.2
123.04429	0.4
127.03909	0.3
128.06247	0.2
129.06981	0.6
131.08585	0.1
133.02800	0.9
135.04411	0.5
137.01349	0.2
137.02336	2.7
139.05415	0.2
141.06943	0.4
145.02797	0.2
145.06508	0.7
147.04408	1.5
151.03894	7.5
153.01823	11.1
154.02182	0.2
157.06508	1.6
161.05933	0.5
163.03899	0.4
165.01828	3.7
169.06441	0.2
171.03116	0.2
171.04337	0.8
173.05939	0.2
175.03818	0.3
183.02879	2.2
184.05214	0.2
185.05957	1.3
189.05399	0.3
194.02203	0.2
197.05960	0.4
199.03935	0.2
201.16350	0.1
203.03250	0.2
203.07048	0.7
213.05460	3.8
216.04161	0.2
217.05003	0.3
229.04944	0.7
231.06505	1.6
231.08594	0.2
241.04921	1.7
242.05463	0.2
243.06538	0.3
245.04402	0.2
258.05225	2.4
259.06052	1.1
269.04465	0.4
269.07809	0.2
272.06577	0.2
287.05487	100.0
288.05801	3.1
290.44504	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	287.055
Annotation	5,7,2',6'-Tetrahydroxyflavone
Peak:m/z	Relative Intensity
52.08657	0.3
53.03939	0.9
55.01865	0.9
55.05513	2.2
56.96564	0.3
57.03432	0.6
57.07071	0.7
63.00054	0.3
65.03940	1.0
67.01864	0.7
67.05209	0.3
67.05508	3.0
68.99789	5.5
69.03426	0.5
69.07071	3.6
69.19627	0.3
70.16259	1.5
71.04982	1.0
79.05495	2.9
81.03421	1.9
81.07059	5.8
82.07388	0.3
83.04974	0.5
83.08617	1.1
91.05492	3.3
93.07043	6.1
95.04969	2.4
95.08606	4.2
97.02877	0.5
97.06528	1.1
103.05424	0.6
105.03383	1.1
105.07039	4.9
106.07260	0.3
107.04951	3.8
107.08598	3.4
107.98045	0.3
109.02877	0.9
109.06530	0.8
109.10155	3.3
110.40519	0.3
111.00812	2.2
111.04434	0.7
111.08022	0.3
115.05441	0.7
116.16415	0.3
117.07027	1.6
119.08589	4.9
121.02867	6.9
121.03857	0.4
121.06492	1.2
121.10163	3.8
123.04404	1.5
123.11703	2.3
125.06070	0.4
128.06230	1.0
129.06978	1.8
131.08540	2.3
133.02843	0.8
133.06534	0.4
133.10141	3.3
135.04431	0.8
135.08104	0.7
135.11682	1.4
136.07489	0.3
137.02351	2.1
137.05930	0.9
137.09628	0.5
137.13242	0.5
139.05432	0.5
139.11150	0.3
141.07011	1.0
143.08534	1.4
145.06499	1.7
145.10123	2.4
147.04396	1.8
147.07999	0.5
147.11679	3.5
149.02367	0.3
149.05954	0.3
149.13272	1.4
151.03860	0.4
152.06229	0.7
153.01825	10.8
153.05484	2.0
153.06969	1.3
155.08560	0.6
157.06500	2.0
157.10143	1.8
159.11729	2.6
161.05980	1.4
161.13223	1.5
163.03902	1.0
163.07637	0.3
163.11162	0.6
163.14821	0.6
164.07007	0.4
165.01801	3.2
165.07019	1.3
165.12744	0.6
166.07822	2.8
167.08575	3.2
168.05598	0.4
168.07979	0.4
169.06442	0.8
169.07706	0.6
169.10126	1.2
170.07251	0.6
171.04382	2.3
171.08076	0.4
171.11737	1.6
173.05988	3.2
173.09648	0.9
173.13237	1.1
175.03922	0.9
175.07663	0.6
175.14844	1.0
177.05450	0.6
177.12773	0.4
181.06569	1.9
181.08548	0.2
181.10118	6.5
183.02913	1.4
185.05995	2.2
185.09601	3.5
185.13249	1.1
187.07623	0.6
187.14812	0.7
188.08369	2.1
189.05484	0.7
189.16499	0.6
189.20055	0.4
194.07285	5.4
195.08066	1.4
195.11682	1.7
196.08829	0.5
197.06038	0.5
197.09688	1.1
198.06766	0.5
199.03893	3.0
199.07549	1.0
199.11168	1.1
199.14790	0.9
201.05527	1.2
201.09120	2.3
201.16377	1.7
203.03384	1.4
203.07013	0.8
205.10130	0.4
208.08849	0.3
209.09627	17.5
212.08473	0.3
213.05469	5.0
213.08836	0.5
213.16393	1.2
215.07111	0.6
215.10445	0.3
215.18138	0.8
216.04399	0.4
217.04994	1.4
219.06505	1.3
223.11168	6.2
225.09109	6.3
225.12712	0.4
227.03391	0.7
227.10667	13.8
227.18005	0.4
229.04982	0.5
231.06520	1.8
241.04977	3.1
241.09946	0.6
241.12251	1.2
241.19452	0.4
243.10246	0.4
243.21089	0.4
245.04430	2.3
245.11708	0.6
251.10678	1.7
258.05252	2.2
259.05978	0.9
259.09729	0.5
269.04428	1.2
269.08578	0.7
269.11670	6.4
269.22623	2.0
287.05508	100.0
287.23663	7.7
288.05917	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	287.0549
Annotation	Luteolin
Peak:m/z	Relative Intensity
63.32722	0.3
67.01878	0.5
67.05495	0.5
68.99784	2.9
69.07076	0.5
69.46971	0.4
70.21715	1.5
79.05482	1.5
81.03374	0.4
81.07036	0.9
84.98262	0.3
86.65920	0.4
91.05448	0.7
93.07027	0.7
95.04945	0.8
95.08627	0.5
97.02908	0.4
98.97574	0.4
98.98450	0.5
103.05457	0.5
105.03385	1.2
105.07021	0.8
107.04969	1.8
107.08591	0.4
109.02887	0.8
111.00810	1.3
111.04437	0.5
117.07006	0.5
121.02864	6.9
121.06525	0.8
121.10121	0.6
129.06989	0.6
133.02806	0.9
135.04434	0.8
137.02303	2.4
145.06458	0.6
145.10138	0.4
147.04369	1.0
147.11723	0.6
153.01830	9.9
157.06450	1.2
159.11642	0.6
165.01855	3.1
171.04469	0.9
183.02888	1.6
185.05978	1.0
199.03920	1.0
201.16409	0.6
203.07007	1.9
204.07527	0.4
208.96362	0.7
213.05492	3.5
229.04855	0.7
231.06480	1.0
241.04913	1.8
245.04504	0.5
250.97540	0.6
258.05222	2.4
259.06021	1.1
269.04413	0.4
269.22629	0.6
287.05493	100.0
287.23752	1.2
288.05902	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	287.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08108	0.1
53.03941	0.2
55.01867	0.2
55.05503	0.4
57.03418	0.2
59.04044	0.1
65.03907	0.1
67.01596	0.1
67.01871	1.6
67.02200	0.3
67.05489	0.4
68.99445	0.2
68.99791	2.5
69.03411	0.3
69.07047	0.4
70.72882	0.5
74.06083	0.2
76.01260	0.2
79.05489	0.8
81.03413	0.4
81.07057	0.9
82.06565	0.4
83.04976	0.6
83.06915	0.2
84.05283	0.2
85.02898	0.2
85.06570	0.1
86.32220	0.2
89.03925	0.8
91.05472	0.4
93.07035	0.6
94.06551	0.3
95.04941	0.3
95.08612	0.8
97.06533	0.1
104.80794	0.1
105.03350	0.2
105.07020	0.6
107.04965	0.8
107.08584	0.5
109.02879	0.6
109.10166	0.6
111.00803	0.5
111.04421	0.3
115.05463	0.3
117.03384	1.0
117.06960	0.2
119.04922	0.2
119.08581	0.4
121.02861	1.7
121.03775	0.2
121.06503	0.3
121.10132	0.4
123.04415	0.2
123.11682	0.3
127.03947	0.3
128.06137	0.2
129.01845	0.3
129.06987	0.2
131.08543	0.3
133.10101	0.5
135.04414	4.4
135.08047	0.2
135.11679	0.2
137.02327	2.6
137.06003	0.2
137.09534	0.2
138.03116	0.3
139.05428	0.2
140.25877	0.1
143.93860	0.1
145.06450	0.2
147.04405	0.6
147.11678	0.2
149.09795	0.2
149.13258	0.2
153.01830	11.5
153.05444	1.4
154.02180	0.2
157.06479	0.7
159.11638	0.3
161.02324	1.1
161.05952	0.2
161.13257	0.2
163.03841	0.2
165.01822	0.8
167.04941	0.2
171.02885	1.5
171.04428	0.8
173.05904	0.2
173.13351	0.2
175.03879	0.2
177.05450	0.4
179.03351	0.3
183.02893	0.4
185.05968	0.7
187.14882	0.2
189.05405	0.3
197.79057	0.1
199.02173	0.2
199.03838	0.7
201.05487	0.2
203.03436	0.4
203.06956	0.2
205.19818	0.1
213.05431	1.5
217.04892	0.2
219.06532	0.5
220.58217	0.1
227.03400	0.3
229.04970	0.3
231.06450	0.5
233.17287	0.5
241.04942	1.8
245.04448	0.6
251.18361	0.6
258.05099	0.7
259.06024	0.4
259.09476	0.2
263.05539	0.2
269.04413	0.8
269.12799	0.1
269.19498	1.2
269.22418	0.3
287.05490	100.0
287.20697	0.9
287.23691	0.9
288.05817	3.4
303.04962	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	ASPHODELIN A
Peak:m/z	Relative Intensity
55.01855	2.7
56.96536	0.8
63.00036	1.5
65.03927	2.9
67.01842	0.7
67.05490	1.5
68.99788	15.3
69.03423	1.5
69.07058	1.5
70.06584	1.2
72.17964	0.7
79.05473	1.7
81.03416	1.6
81.07047	1.6
83.04956	0.8
84.08105	1.0
86.09701	1.6
89.03924	3.6
91.05469	2.9
93.07063	1.0
94.06552	2.1
95.01298	1.0
95.04939	2.5
98.20618	1.3
98.98463	1.4
103.05451	1.4
105.03370	2.5
105.07013	1.8
107.04961	5.5
109.02885	1.5
111.00807	5.3
111.04430	0.9
115.05444	2.9
117.03396	1.4
117.07023	1.2
118.06553	1.8
119.04967	1.1
119.07309	0.9
119.08588	1.0
121.02869	15.4
121.06503	2.6
122.06010	2.8
123.04414	5.9
124.07552	1.3
127.03933	1.0
128.06221	2.0
129.06985	2.8
131.04900	1.4
135.04416	3.3
137.02345	3.0
137.05968	1.0
139.05418	2.1
140.07063	3.5
141.06987	2.0
143.04935	1.3
144.88179	0.7
145.06487	4.3
146.06000	19.7
147.04424	7.8
148.07626	3.5
149.02339	70.4
149.05948	2.2
150.02991	1.3
151.03920	1.0
153.00578	1.3
153.01822	21.0
153.05492	3.4
153.20464	0.9
155.06049	1.1
157.06494	9.9
159.04491	1.0
161.02299	2.0
161.05952	1.7
163.03867	3.0
165.01851	1.0
167.04892	0.9
169.06487	1.8
171.04434	7.6
173.06001	3.4
173.07222	0.9
175.03897	7.5
175.07567	2.0
177.05426	2.0
183.02869	1.0
185.05972	17.0
189.05478	4.1
191.03477	1.1
197.05994	3.5
199.03876	8.6
201.05562	3.8
203.03397	16.7
203.07060	2.2
213.05472	22.5
216.04135	1.2
217.04991	6.2
219.06557	3.3
227.03381	2.8
229.47844	0.9
231.06525	57.3
232.06839	2.1
241.04945	17.0
245.04387	8.2
259.06009	53.8
260.06351	1.8
269.04489	7.0
287.05502	100.0
287.10495	3.9
287.13889	2.4
288.05844	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Luteolin
Peak:m/z	Relative Intensity
58.53955	0.2
67.01862	2.1
68.99792	1.8
70.72382	0.9
78.46124	0.3
78.89229	0.3
89.03909	1.2
90.59577	0.3
107.04922	0.6
111.04446	0.3
117.03363	0.9
120.22456	0.3
129.01817	0.4
135.04428	4.9
137.02373	1.5
153.01826	12.2
157.06496	0.3
161.02368	1.7
171.02902	1.9
171.04199	0.3
179.03432	0.6
185.05922	0.6
200.24471	0.3
213.05396	0.5
219.06531	0.3
241.05035	1.7
255.70831	0.3
258.91492	0.3
259.05951	0.4
269.04501	1.0
287.05493	100.0
288.05841	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.2
55.01856	0.2
65.03936	0.5
67.01838	0.4
68.99435	0.2
68.99794	2.6
69.03412	0.3
70.23383	1.0
79.05489	1.0
81.03442	0.4
83.32614	0.2
91.05463	0.3
95.04976	0.6
103.05476	0.2
105.03386	0.8
107.04963	1.4
107.08597	0.3
109.02855	0.7
111.00809	1.8
111.04425	0.7
115.05416	0.4
119.04939	0.3
121.02869	6.8
127.03925	0.2
129.06976	0.5
131.05016	0.2
131.93791	0.2
133.02859	1.1
135.04425	0.6
137.02325	2.1
141.06963	0.4
143.04903	0.2
145.06494	0.6
147.04437	1.3
153.01828	10.4
154.02208	0.2
157.06496	1.6
159.09161	0.5
161.05978	0.5
164.98932	0.2
165.01823	3.4
171.03024	0.2
171.04343	0.9
175.03917	0.2
183.02863	1.4
185.05957	1.1
189.05444	0.3
191.07585	0.2
197.05963	0.4
199.03876	0.2
203.03468	0.2
209.09637	0.4
213.05460	3.0
216.04269	0.3
227.10713	0.2
229.05104	0.3
231.06499	1.5
231.27057	0.2
241.05002	1.2
245.04349	0.3
246.66879	0.2
258.05270	2.3
259.06052	0.7
269.04507	0.5
287.05499	100.0
288.05847	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	287.0548
Annotation	Fisetin
Peak:m/z	Relative Intensity
65.03918	0.4
67.01862	0.3
68.99785	3.0
69.03381	0.3
70.60719	0.7
79.05483	0.9
81.03394	0.5
86.29130	0.3
91.05488	0.4
91.82389	0.3
95.04959	0.7
105.03395	0.9
106.20663	0.4
107.04930	1.2
109.02883	0.8
109.10101	0.3
111.00777	1.4
111.04406	0.5
115.35831	0.3
121.02867	7.0
121.03877	0.5
129.06969	0.6
133.02855	1.1
135.04382	0.5
137.02325	2.1
141.06947	0.4
145.06453	1.0
147.04401	0.9
148.17140	0.3
153.01825	12.1
153.87758	0.3
157.06476	1.2
161.06033	0.3
165.01849	3.7
171.04448	0.8
175.03831	0.3
183.02858	2.1
185.05975	1.3
189.05341	0.3
197.06029	0.6
203.07079	0.4
213.05444	3.6
216.04144	0.4
229.04930	0.6
231.06519	1.7
241.04991	1.6
258.05231	3.0
259.06042	1.0
287.05490	100.0
288.05859	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	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.2
53.40969	0.2
67.01859	0.4
67.44809	0.2
68.99436	0.3
68.99792	2.9
69.54050	1.4
73.38724	0.2
79.05483	0.7
81.03411	0.3
94.42297	0.3
95.04974	0.4
103.05445	0.4
104.35143	0.2
105.03381	1.1
107.04929	1.2
109.02871	0.4
111.00788	1.7
111.04423	0.6
115.05454	0.4
119.04928	0.3
121.02866	7.8
121.03886	0.4
121.04059	0.3
129.06996	0.5
133.02847	1.0
135.04413	0.4
137.02353	2.8
141.06975	0.3
145.06534	0.5
147.04411	1.7
153.01830	12.4
157.06500	2.0
161.05991	0.6
165.01845	3.0
169.06493	0.3
171.04399	0.8
178.02095	0.2
183.02882	1.8
185.06036	1.3
189.05486	0.3
192.22415	0.2
197.05925	0.4
203.03371	0.3
203.07059	0.3
213.05470	3.7
217.04936	0.3
229.04881	0.4
231.06580	1.3
241.04994	1.9
258.05273	2.5
259.06039	1.0
269.04407	0.5
287.05499	100.0
288.05872	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	287.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55317	0.2
55.01863	0.3
60.34716	0.2
65.03922	0.4
67.01853	0.4
68.99452	0.2
68.99791	2.8
69.03400	0.3
69.54224	1.6
79.05482	0.8
81.03400	0.3
95.04971	0.5
102.70351	0.2
103.05446	0.2
105.03387	1.1
107.04942	1.6
109.02865	0.6
111.00799	1.8
111.04437	0.6
115.05396	0.2
119.04945	0.2
121.02863	8.0
121.03836	0.4
121.06558	0.3
127.03867	0.2
128.06200	0.3
129.07040	0.3
133.02863	0.8
133.07486	0.2
135.04402	0.5
137.02357	2.7
141.06987	0.5
145.06468	0.8
147.04422	1.8
153.01826	12.2
157.06497	2.0
160.78461	0.2
161.05984	0.5
165.01845	3.5
171.04420	0.8
183.02847	1.9
185.05965	1.4
189.05386	0.3
197.05963	0.5
203.03372	0.3
203.06985	0.5
212.27882	0.2
213.05464	3.4
229.04970	0.4
231.06541	1.4
241.04953	1.5
258.05273	2.2
259.06018	0.8
269.04404	0.5
287.05487	100.0
288.05807	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	287.0548
Annotation	Kaempferol
Peak:m/z	Relative Intensity
55.01869	0.7
55.05498	0.9
67.01838	0.4
67.05502	0.5
68.99788	5.0
69.03416	0.5
69.07076	0.7
71.04985	0.3
71.21909	0.6
71.22289	0.4
74.06070	0.8
79.05483	0.7
81.03411	0.5
81.07064	0.7
82.06567	0.9
83.04971	1.0
83.06889	0.3
84.05296	0.3
89.03922	2.2
91.05471	0.8
93.07063	0.5
94.06506	0.3
95.01258	0.3
95.04950	0.6
95.08605	0.8
97.02866	0.4
103.05477	0.7
105.03372	1.7
105.07027	0.6
107.04960	1.9
107.08529	0.4
108.08116	0.3
109.02862	0.4
109.08443	0.3
109.10138	0.4
111.00810	1.4
111.04393	0.3
115.05428	0.7
117.03368	0.4
117.07066	0.4
119.04961	0.5
119.08584	0.6
121.02853	1.8
121.06510	0.7
123.00784	0.8
123.04413	0.6
128.06226	0.5
129.06998	1.0
131.04938	1.2
132.10342	0.2
133.02864	0.4
135.04410	0.9
137.02330	1.2
137.06026	0.6
139.05368	0.3
141.06978	0.8
145.06477	1.2
147.04393	1.2
149.02335	2.6
149.06082	0.3
153.01823	13.7
153.05457	0.9
157.06502	2.2
161.02344	1.4
161.05946	0.8
163.03902	0.6
165.01848	0.6
167.07274	0.3
169.06453	0.4
169.14110	0.5
171.02962	0.6
171.04408	2.5
173.05927	0.8
175.03880	1.4
175.07484	0.6
185.05942	2.6
189.05396	0.9
191.03369	0.3
197.05934	1.0
199.03920	3.3
201.05498	0.9
203.03339	1.3
203.07037	1.6
209.04507	0.3
213.05444	7.3
215.27802	0.3
216.04169	0.8
217.04956	2.4
219.06454	0.9
227.03394	0.9
231.06522	5.4
233.17322	0.4
241.04939	13.9
242.05370	0.4
245.04483	1.6
251.18286	1.2
259.06015	1.7
269.04443	6.5
269.12195	0.3
269.19461	2.9
272.06116	0.5
287.05487	100.0
287.20410	2.2
287.23633	0.6
288.05817	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	287.0549
Annotation	Fisetin
Peak:m/z	Relative Intensity
54.74027	0.3
61.80546	0.2
62.01966	0.2
65.03908	0.4
68.99786	2.2
70.91476	0.6
70.91839	0.4
79.05461	0.9
81.03407	0.4
95.04955	0.4
105.03375	1.0
107.04953	1.1
109.02856	0.6
111.00829	1.3
111.04414	0.5
120.59508	0.3
121.02865	6.0
133.02850	1.0
137.02336	1.9
141.07024	0.3
145.06502	0.4
147.04420	1.3
153.01830	9.6
154.11481	0.3
157.06512	1.5
161.05951	0.4
165.01848	3.6
171.04442	0.8
183.02882	1.6
184.59886	0.3
185.05998	1.0
197.05948	0.6
199.04103	0.3
203.06998	0.4
213.05470	3.7
229.05043	0.4
231.06535	1.1
236.11647	0.3
241.04959	1.3
258.05203	2.0
259.05994	1.0
269.04517	0.4
287.05493	100.0
288.05789	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	287.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
55.01857	0.4
65.03937	0.7
67.01859	0.4
68.74015	0.1
68.99436	0.2
68.99789	3.3
69.03413	0.4
71.01325	0.1
71.11507	0.2
71.26154	0.1
79.05505	0.8
81.03408	0.8
91.05472	0.2
93.03410	0.2
95.04955	0.4
97.02895	0.2
103.05452	0.3
105.03400	1.1
105.07039	0.2
107.04954	1.5
109.02897	1.0
111.00803	1.8
111.04401	0.6
115.05444	0.4
117.07057	0.2
119.04946	0.4
121.02866	8.6
121.03849	0.3
121.06468	0.2
123.04401	0.3
126.03106	0.1
127.03892	0.3
128.06197	0.3
129.06995	0.7
133.02876	0.8
135.04408	0.4
135.07985	0.1
137.02333	5.7
137.05937	0.2
139.05417	0.4
141.06961	0.4
143.04953	0.2
145.06500	0.8
147.04407	1.7
147.08102	0.1
149.02371	1.1
153.01819	11.3
154.02042	0.1
157.06471	2.2
161.06000	0.7
163.03923	0.4
165.01825	3.1
166.02423	0.2
167.03447	0.3
167.04745	0.1
169.06458	0.2
171.02881	0.3
171.04416	1.3
173.05930	0.3
175.03905	0.4
175.07573	0.3
179.03418	0.1
183.02878	1.6
184.05142	0.2
185.05969	2.5
188.04697	0.2
189.05434	0.5
197.05975	0.3
199.03912	0.6
201.05574	0.3
203.03409	0.4
203.07010	0.6
212.04652	0.2
213.05455	5.1
214.05775	0.1
216.04102	0.2
217.04955	0.3
219.06514	0.2
227.03336	0.1
229.04962	0.5
230.05876	0.1
231.06516	1.6
240.04402	0.1
241.04956	2.8
242.05562	0.2
243.06396	0.2
243.18784	0.1
244.50571	0.1
245.04488	0.6
258.05240	2.2
259.06082	1.0
261.58136	0.1
269.04523	0.9
286.04605	0.2
287.05481	100.0
288.05801	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	287.055
Annotation	Kaempferol
Peak:m/z	Relative Intensity
55.01876	0.5
55.05500	1.0
65.03926	0.7
65.59811	0.3
67.01849	0.6
67.05493	1.5
68.99786	4.3
69.03441	0.7
69.07076	1.6
69.91734	1.1
69.92142	0.6
79.05489	1.6
81.03399	1.0
81.07064	2.5
83.05000	0.3
83.08604	0.4
85.06590	0.4
91.05478	1.8
93.07064	1.8
95.04969	1.5
95.08617	2.1
97.02880	0.5
97.06525	0.3
99.08077	0.4
105.03384	0.8
105.07018	2.3
107.04967	2.3
107.08579	1.5
109.02841	0.8
109.10152	1.3
111.00790	1.7
111.04465	0.4
117.07067	0.7
119.08569	1.5
119.73959	0.3
121.02866	6.5
121.06526	0.6
121.10172	1.8
123.04420	0.6
123.11698	0.9
128.06247	0.6
129.07027	0.8
131.08559	0.8
133.02841	1.2
133.10114	1.6
135.04413	1.0
135.08098	0.6
135.11710	0.7
137.02324	2.1
143.08542	0.4
145.06516	0.9
145.10107	0.7
147.04395	2.3
147.11665	1.0
149.09593	0.6
149.13240	0.4
153.01825	11.3
153.05508	0.6
157.06467	1.7
157.10117	0.7
159.04524	0.4
159.11691	1.5
161.05975	0.8
161.13303	0.7
163.03915	0.6
165.01842	2.9
167.08672	0.4
171.02985	0.6
171.04356	2.5
171.11739	0.5
173.05951	1.2
173.13315	0.8
175.03922	0.9
175.07692	0.5
177.05408	0.4
181.10083	0.3
183.02841	1.7
185.05986	2.1
185.13275	0.4
187.14703	0.4
189.05469	0.5
194.07318	0.7
197.05949	0.6
199.03883	2.3
199.15004	0.3
201.05489	0.9
201.16446	0.4
203.03462	0.7
203.07051	0.9
209.09625	0.8
210.45688	0.3
213.05487	4.5
217.04961	1.3
219.06638	0.9
223.11208	0.5
225.09056	0.7
227.03412	0.6
227.10747	1.2
227.17909	0.4
229.05019	0.7
231.06535	1.4
241.04935	3.0
244.07306	0.5
245.04428	2.5
258.05289	2.0
259.05984	1.0
269.04358	1.1
269.11960	0.6
269.22620	0.9
272.06613	1.5
287.05502	100.0
287.23590	3.0
288.05862	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	286.2375
Annotation	Myristoyl-Gly-OH
Peak:m/z	Relative Intensity
52.72805	1.0
55.05503	3.0
57.07075	32.1
62.06093	1.5
67.05510	7.2
69.07047	6.2
71.08630	22.3
71.58983	1.5
75.81221	1.1
76.04005	100.0
77.03755	1.1
79.05468	1.9
81.07066	10.4
82.87912	1.2
83.08609	2.3
85.10182	13.6
95.08609	18.1
97.10173	2.3
98.98433	1.5
109.10145	6.2
111.11723	2.0
121.02835	1.7
123.11692	4.3
133.58867	1.3
137.02376	1.2
142.28038	1.3
148.16763	1.0
153.01889	2.3
171.04990	1.8
181.03387	2.5
199.04530	3.8
211.20624	7.6
213.05449	1.3
223.62996	1.0
278.12274	2.2
286.31033	12.9
286.33881	1.8
287.05505	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	286.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
55.01864	0.5
55.05507	3.6
56.05036	1.8
57.03417	0.4
65.03923	0.4
67.01855	1.4
67.05497	2.2
68.99779	2.2
69.03419	0.5
69.07066	1.9
70.06585	1.3
70.42164	0.5
70.42543	0.9
71.04984	0.3
71.62741	0.2
74.06077	5.1
79.05485	1.4
80.96735	0.2
81.03416	0.5
81.06645	0.3
81.07056	3.4
82.06576	7.6
83.04976	7.9
83.08611	0.7
84.04493	0.6
84.08129	0.8
85.02887	0.3
85.06525	0.3
89.03918	0.7
91.05460	1.1
93.07035	1.1
94.06565	4.5
95.04978	0.7
95.08586	1.1
96.08108	0.3
97.02894	0.3
97.06514	0.7
97.10145	0.3
98.06053	1.7
100.07613	0.9
105.06995	0.7
106.06530	0.4
107.04945	0.9
107.07362	0.5
107.08573	0.8
107.89624	0.3
108.08121	3.4
109.10143	0.5
110.06029	1.7
111.00805	0.5
112.07595	1.1
115.05508	0.6
117.03362	0.9
119.08575	0.3
120.08089	1.0
121.02843	1.5
121.06433	0.3
121.10136	0.3
123.11658	0.4
127.03934	0.3
129.01886	0.4
129.06989	0.3
133.10133	0.5
134.09608	0.5
135.04419	3.9
137.02341	3.3
138.09123	0.5
145.06430	0.4
145.10156	0.3
147.04439	0.4
148.11189	0.3
153.01822	12.2
153.05434	1.0
157.06476	0.5
161.02286	1.3
162.71921	0.3
165.01877	0.5
168.13846	2.9
171.02850	1.4
171.04295	0.5
177.05424	0.4
179.03409	0.4
183.02907	0.3
185.05992	0.6
186.14917	1.0
199.03940	0.6
201.05501	0.5
203.03448	0.5
204.17471	0.9
208.94588	0.3
213.05496	1.6
216.05861	0.2
220.16957	0.9
222.18526	1.0
224.16512	0.5
229.04939	0.3
231.06479	0.6
232.16942	5.0
238.18016	1.3
240.19705	0.5
241.04944	1.8
242.17462	0.4
245.04498	0.6
250.18019	8.4
258.05182	0.9
259.05978	0.5
268.19061	21.2
269.04373	1.2
271.06241	0.3
286.04764	1.5
286.07709	0.4
286.20108	13.6
287.05481	100.0
303.04968	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.1
53.00310	0.1
53.03942	0.2
53.11360	0.0
55.01864	0.2
55.05499	0.2
56.05027	0.1
65.03584	0.0
65.03928	0.5
66.01080	0.0
67.01858	0.5
67.05509	0.1
68.02627	0.0
68.99780	3.1
69.03419	0.3
69.07047	0.1
69.65798	0.1
69.66215	0.0
70.06597	0.0
71.01344	0.1
74.06078	0.1
77.03917	0.1
77.60094	0.0
78.01070	0.0
78.04681	0.0
79.01848	0.0
79.05482	0.9
81.03409	0.5
81.07056	0.1
82.06577	0.2
83.01326	0.1
83.04973	0.3
83.08605	0.0
84.08137	0.0
85.02874	0.1
89.03925	0.0
91.05460	0.2
93.03392	0.1
93.07043	0.0
94.04185	0.1
94.06541	0.1
95.01328	0.1
95.04955	0.6
95.08582	0.0
96.08104	0.0
97.02871	0.2
97.06514	0.0
98.06055	0.0
100.07615	0.1
103.05449	0.2
105.03378	1.3
105.04498	0.1
105.07024	0.1
107.04940	1.6
107.08589	0.0
108.02073	0.0
108.08109	0.1
109.02109	0.0
109.02863	0.9
109.10128	0.0
110.03679	0.0
110.06047	0.1
111.00790	1.9
111.04436	0.8
112.07597	0.0
115.05437	0.4
117.07001	0.2
119.04922	0.3
120.08045	0.0
121.02851	8.5
121.03872	0.3
121.06448	0.2
123.04404	0.1
125.02364	0.0
126.03123	0.1
127.03885	0.4
127.05338	0.0
128.06194	0.2
129.01819	0.0
129.03365	0.0
129.06993	0.5
131.04927	0.1
131.08568	0.0
133.02834	1.2
133.06473	0.1
134.03632	0.1
135.04402	0.5
135.08046	0.1
136.01495	0.0
137.02319	2.6
138.03096	0.1
139.05396	0.1
141.06941	0.4
143.03381	0.0
143.04883	0.1
144.05676	0.1
145.02747	0.2
145.06468	0.8
147.04393	1.8
147.08046	0.1
149.02324	0.1
151.03842	0.2
151.10979	0.0
153.01807	13.4
155.04910	0.1
155.05995	0.1
157.06464	1.8
160.05196	0.1
161.02335	0.1
161.05949	0.6
161.07204	0.1
163.03902	0.1
165.01811	4.4
166.02592	0.1
167.04985	0.1
168.05687	0.1
168.13823	0.1
169.06473	0.2
171.02869	0.2
171.04398	0.9
173.05910	0.2
175.03885	0.2
175.07599	0.1
177.05498	0.0
179.03354	0.1
181.01384	0.1
183.02869	2.1
184.05211	0.2
185.05957	1.5
186.14958	0.0
188.04596	0.1
189.05444	0.3
191.03362	0.1
193.01266	0.1
194.02119	0.2
195.04350	0.1
197.05951	0.4
199.03868	0.2
201.05440	0.2
203.03398	0.3
203.07016	0.3
212.04582	0.1
213.05434	4.0
215.06987	0.0
216.04210	0.2
216.10258	0.0
217.04912	0.2
218.02222	0.1
218.05707	0.1
219.06456	0.0
220.16785	0.0
222.18497	0.0
223.03891	0.1
225.05249	0.1
229.04921	0.6
230.05577	0.1
231.06479	1.6
232.16943	0.1
238.17827	0.1
240.04158	0.1
241.02316	0.0
241.04915	1.9
242.05664	0.1
243.06465	0.2
245.04385	0.2
250.18108	0.2
257.04587	0.2
258.05212	2.5
259.06000	1.0
263.05597	0.1
268.19006	0.7
269.04367	0.5
270.05200	0.1
285.03836	0.1
286.04483	0.2
286.20102	0.3
286.22659	0.0
287.05447	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.0
55.01869	1.2
55.05503	2.1
56.05027	0.9
56.96548	4.4
57.03423	1.9
57.07065	0.8
58.01443	1.0
59.04982	2.5
61.02916	5.5
61.52576	0.7
63.00028	0.9
69.03419	3.0
70.06593	88.2
70.65910	0.8
70.87373	2.7
71.05000	5.8
71.06924	1.4
72.08131	1.4
73.02899	0.7
74.04266	0.7
79.05479	3.0
81.03421	1.4
81.04554	1.3
81.07059	11.7
81.95066	0.8
82.05312	2.5
82.06574	1.9
83.04981	1.3
83.06097	11.1
84.04473	1.4
84.08152	1.6
85.02910	5.8
91.05476	1.2
93.04527	8.4
94.06551	1.2
95.06091	15.9
96.08072	1.0
97.02880	3.6
98.06055	0.9
98.97576	2.8
98.98502	0.8
101.00853	1.4
107.04948	1.4
107.06057	3.0
109.02853	0.9
110.07163	100.0
111.05559	1.8
111.07497	1.5
112.07604	76.8
113.07948	1.2
116.98610	2.7
119.01949	4.0
121.06495	3.0
121.07587	2.1
122.05980	1.6
124.03941	1.8
124.07590	4.7
125.07093	2.1
127.03938	1.6
134.99667	2.0
136.07611	1.3
137.05974	1.3
140.07063	43.3
143.01862	3.3
146.09608	1.0
146.99663	1.1
147.04340	1.1
147.07706	0.8
152.07033	2.1
154.07211	1.4
156.07687	12.7
157.09734	4.1
160.06569	1.0
161.02956	7.4
163.12305	51.9
164.12621	1.4
166.06148	1.6
169.04459	1.5
170.08118	1.4
177.00708	0.9
178.98560	0.8
186.07608	2.0
188.09099	0.9
190.13327	8.0
193.13348	1.4
204.41534	0.8
206.07996	1.2
208.14470	11.2
211.02748	0.8
212.15150	1.1
219.01830	0.8
219.11362	2.2
221.04922	0.8
225.15956	1.1
226.03857	2.4
236.13911	7.2
237.02869	1.9
240.10207	1.3
240.17038	9.2
244.04929	5.3
254.15012	19.0
255.15283	1.0
262.06018	1.8
286.17596	51.6
287.05923	7.3
287.11011	35.5
287.17914	1.6
309.08478	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.6
55.01859	5.0
55.05511	31.1
56.01088	3.5
57.03186	4.4
57.03435	60.5
57.31302	3.1
65.03930	3.1
67.05183	3.8
67.05505	54.6
69.03419	7.7
69.07053	11.0
71.04976	13.0
79.05493	45.0
81.03416	100.0
81.06648	4.1
81.07061	48.3
81.56222	3.1
82.62566	2.9
83.04981	24.6
83.08617	42.0
85.02901	89.8
85.06531	4.4
91.05479	60.4
91.11147	3.2
93.07043	31.1
95.04967	45.9
95.08609	24.4
97.02882	4.2
97.06520	7.0
97.10197	4.9
98.21540	7.1
99.08112	4.4
103.25066	3.0
105.07027	43.8
107.04932	10.3
107.08572	9.7
109.06543	8.1
109.10165	7.9
111.04428	4.0
111.08076	21.6
113.06013	9.8
119.08562	31.4
121.10123	15.9
123.08053	3.1
123.11662	5.3
129.07028	18.7
131.08574	15.7
133.10063	20.2
142.07782	8.4
147.11693	28.3
149.09602	10.8
151.03882	3.6
157.10133	24.4
165.12717	8.5
175.11194	35.4
193.12236	92.7
211.13280	53.6
216.72011	3.0
264.23383	3.2
285.16931	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.1
55.05508	15.0
57.03440	24.0
57.07059	2.2
59.05023	1.9
65.03940	1.3
67.05504	32.1
69.07063	18.8
69.34678	14.8
71.04999	7.0
79.05488	24.8
81.03400	3.2
81.07057	100.0
83.05004	7.8
83.08620	11.6
85.06550	8.1
86.62611	1.7
90.29256	1.4
91.05480	28.8
93.07030	15.1
94.84722	1.4
95.04982	4.3
95.08598	18.9
97.06554	7.9
97.07072	1.5
98.21495	3.8
99.08099	3.5
101.84319	1.3
105.07030	44.0
105.10474	1.3
107.08582	13.5
109.06539	5.0
109.10186	2.5
111.08125	1.9
119.08581	30.1
121.10143	18.8
123.08095	4.7
123.11704	32.3
127.07582	2.7
129.06966	2.3
133.10118	2.5
145.10135	1.6
147.11684	75.4
148.12004	1.4
157.10162	4.0
165.12756	33.7
175.11302	3.3
183.13828	3.6
193.12325	3.6
209.63924	1.7
229.14377	4.7
267.15982	2.5
282.08658	1.4
285.16998	29.1
285.33398	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.0
55.01861	6.1
55.05507	26.2
57.03188	3.9
57.03440	53.9
65.03941	3.0
67.05500	36.7
69.03431	5.4
69.07076	13.8
71.04986	8.8
79.05129	3.0
79.05495	36.5
79.95251	2.6
81.03419	94.4
81.07056	49.3
83.04958	16.9
83.08620	35.0
85.02907	100.0
85.06544	6.0
91.05488	50.6
93.07038	32.1
95.04968	43.0
95.08617	20.3
97.02885	5.7
97.06525	7.3
97.10143	6.5
99.08081	4.8
103.05354	2.8
105.07029	35.7
107.04928	8.0
107.08577	9.0
109.06495	7.4
109.10166	5.8
111.04427	3.8
111.08064	17.6
113.06041	6.3
119.08591	26.2
121.10143	17.1
123.08101	5.9
123.11734	4.4
129.07060	13.4
131.08565	16.5
133.06503	4.6
133.10114	14.3
137.09656	3.8
142.07748	4.1
145.10056	3.9
147.08040	5.0
147.11684	35.1
149.09607	8.3
157.10135	25.6
165.12721	5.9
171.01440	7.9
175.11208	29.6
193.12254	86.4
209.34073	2.7
211.13277	65.0
229.18327	3.2
253.08533	3.1
285.16962	38.8
285.29999	3.0
285.33438	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03905	12.2
55.05497	35.5
57.03443	54.4
57.07078	14.1
57.79658	8.9
63.00042	13.8
67.05503	63.3
69.07056	22.6
71.04970	17.1
71.59120	13.5
79.05498	54.2
81.03419	100.0
81.07072	61.3
83.04981	23.8
83.08585	31.3
85.02907	91.0
85.06528	11.2
91.05465	50.7
93.07036	31.7
95.04976	57.7
95.08601	45.3
98.98456	11.7
105.07029	51.2
107.08600	14.3
111.08055	25.5
119.08582	47.0
121.10078	21.1
123.11699	16.8
129.06964	14.4
131.08578	18.8
133.10071	10.1
147.11667	40.4
149.09660	12.3
157.10164	21.2
165.12772	14.4
171.01360	19.7
175.11200	25.2
181.27327	9.5
193.12216	98.0
203.03938	10.6
211.13339	69.8
285.11133	12.2
285.16992	44.0
285.22021	11.5
285.30072	11.1
285.33423	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	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.8
55.01870	4.7
55.05516	30.2
57.03440	47.8
59.04985	2.2
63.00041	4.1
65.03946	4.0
67.05162	3.9
67.05501	38.7
69.03423	5.9
69.07062	12.5
69.67406	11.7
71.04981	11.7
79.05497	41.2
81.03417	100.0
81.07059	53.7
83.04971	18.8
83.08621	42.7
84.51708	2.2
85.02906	86.5
85.06527	4.6
91.05479	50.8
93.07043	30.6
95.04974	48.9
95.08604	19.7
97.02848	4.8
97.06538	7.1
97.10186	2.2
98.21603	2.1
98.98456	3.1
99.08098	2.6
99.91109	1.9
103.09029	2.0
105.07034	36.6
107.04969	7.5
107.08607	12.5
109.06528	7.2
109.10155	7.0
111.04437	5.6
111.08073	21.0
113.06010	6.6
115.05434	3.6
119.08576	33.2
121.06493	2.2
121.10135	18.4
123.08083	4.5
123.11678	3.5
125.05953	2.7
125.09628	2.9
128.64189	2.4
129.07013	13.7
131.08583	19.8
133.06476	3.3
133.10110	12.1
142.07787	5.6
147.08087	3.9
147.11696	31.8
149.09622	9.5
157.10123	21.0
165.12756	9.2
175.11180	32.3
193.12248	93.6
202.03572	2.1
211.13303	62.6
239.08569	2.1
249.37730	2.6
285.04239	2.4
285.16998	46.1
285.29916	2.3
304.26352	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	6.1
55.05516	29.2
57.03438	60.5
63.13976	3.8
65.03958	5.0
67.05184	3.2
67.05508	50.7
69.03419	9.4
69.07055	12.3
71.04973	11.6
79.05496	41.0
81.03419	99.6
81.07061	68.4
83.04967	21.2
83.08627	46.8
85.02907	100.0
86.94379	3.9
91.05482	63.3
93.07046	31.6
95.04968	51.8
95.08624	23.1
95.90665	3.6
97.06509	8.1
97.10165	7.2
98.98436	6.0
105.07021	48.2
107.04940	11.7
107.08583	13.7
109.06499	7.4
109.10131	7.9
111.04456	5.5
111.08088	18.9
113.06003	4.2
117.07034	5.7
119.08575	41.6
120.03458	3.3
121.10138	23.8
123.08070	5.2
123.11744	4.6
129.07008	14.3
131.08566	18.1
133.06458	3.7
133.10132	15.7
147.08052	5.9
147.11699	29.2
149.09610	8.6
151.03889	4.0
153.45494	3.3
157.10117	21.4
161.05934	4.9
165.12834	8.3
175.11176	36.1
193.12248	82.6
193.13892	7.2
211.13278	58.1
279.94299	4.0
285.07639	9.6
285.11172	4.9
285.16837	40.4
285.21994	4.5
285.29822	4.5
290.78235	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	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.0
55.01864	5.7
55.05509	29.9
57.03436	59.8
57.07067	2.7
61.21950	2.3
62.69084	2.0
65.03930	2.6
67.05502	48.6
69.03426	6.2
69.07069	14.1
71.04652	2.0
71.04984	15.7
79.05492	49.0
79.39613	2.2
81.03415	100.0
81.07050	52.6
83.04978	20.9
83.08618	40.4
85.02901	99.2
85.06535	4.4
91.05474	57.6
93.07040	33.3
95.04971	43.6
95.08599	23.9
97.02872	5.1
97.06487	10.4
97.10150	5.1
98.20743	7.0
99.04475	2.7
105.06383	3.7
105.07032	44.9
107.04943	6.9
107.08604	14.2
109.06515	10.5
109.10152	4.9
111.04456	4.5
111.08085	21.0
113.05997	9.0
117.07034	2.0
119.07784	3.8
119.08582	42.8
121.10115	16.1
123.08059	4.6
123.11735	5.1
123.13139	2.0
129.07014	17.2
131.08563	18.1
133.06497	3.5
133.10149	16.6
137.09587	4.0
142.07788	3.3
145.10072	4.2
147.08049	4.8
147.11674	28.5
149.09625	9.2
157.10115	22.7
163.11096	2.6
165.12759	7.5
171.01364	3.0
175.11205	28.8
193.12242	85.7
211.13272	59.1
229.13092	2.4
278.43143	2.2
285.16986	38.6
285.33405	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01863	4.8
55.05508	21.4
55.42867	2.5
57.03437	29.0
57.07045	3.1
60.50266	2.3
65.03955	2.2
67.05171	3.7
67.05503	43.5
69.03433	3.8
69.07069	26.6
71.04993	9.7
71.58688	3.8
79.05489	31.1
81.03419	57.1
81.07056	100.0
82.07388	2.2
83.05003	10.2
83.08611	18.7
85.02901	11.6
85.06548	7.6
87.89687	1.8
91.05482	37.0
93.07038	20.2
95.04972	17.6
95.08604	23.0
97.02892	3.1
97.06513	7.8
99.08077	5.5
101.05984	2.0
104.69402	1.7
105.07031	45.2
107.04966	3.8
107.08602	18.2
109.06504	8.1
109.10162	4.5
111.04346	2.3
111.08086	6.4
113.05990	3.2
117.07050	4.7
119.08585	38.4
121.10156	22.2
123.08074	5.0
123.11700	27.0
129.06973	5.3
131.08582	7.6
133.06494	2.7
133.10130	6.8
137.09584	2.0
142.07745	4.5
144.08095	2.9
145.10120	4.5
147.08055	2.3
147.10498	3.4
147.11682	66.0
149.09526	2.5
149.13321	2.4
151.11160	2.1
157.10118	14.2
159.11655	2.8
161.06030	4.6
165.07022	5.2
165.12733	28.5
169.10222	3.0
173.05927	2.3
173.13142	2.5
175.11177	12.7
182.07254	2.4
183.11705	2.7
183.13701	3.5
187.07472	2.2
187.14972	2.2
193.06511	2.8
193.12238	29.1
197.05978	3.2
199.14935	2.8
210.06767	5.3
211.11388	2.2
211.13290	8.5
221.06001	3.8
225.09068	8.0
229.14342	3.2
242.05659	3.2
253.08717	12.8
267.15778	6.4
267.21365	2.9
269.04428	7.9
270.05228	12.4
270.07947	1.9
285.04065	6.0
285.07544	19.6
285.11246	15.6
285.16843	27.5
285.21906	11.8
286.08160	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	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.01863	2.9
55.05510	19.5
57.03148	1.2
57.03436	24.2
57.07071	1.0
59.04975	0.9
61.84224	0.6
65.03943	1.9
67.05502	39.5
69.03423	2.1
69.07067	17.9
69.07452	0.6
69.89458	3.2
71.04633	1.1
71.04991	9.0
72.78340	0.6
73.06562	0.9
79.05015	0.7
79.05489	25.1
81.03415	16.1
81.07053	100.0
82.07380	0.7
83.04979	10.0
83.08617	13.0
85.02902	6.6
85.06541	7.6
87.04459	1.0
91.05476	32.1
93.07035	16.9
95.04963	11.3
95.08602	22.7
96.01458	0.6
97.02882	1.1
97.06531	8.0
97.10165	1.4
99.08089	4.5
100.07613	0.6
101.06026	1.4
103.05470	0.8
105.07027	40.3
107.04984	2.9
107.08591	13.7
108.08185	0.7
108.08914	0.9
109.06505	6.9
109.10155	4.3
111.04478	0.9
111.08077	3.5
113.05997	1.6
113.09638	1.2
115.07624	0.7
117.07014	1.8
119.04921	1.0
119.08573	32.7
121.06524	1.1
121.10131	20.6
123.08063	4.1
123.11700	28.3
125.09609	0.8
126.09184	0.9
126.78004	0.5
127.07561	3.0
127.09420	1.0
128.06271	1.3
129.07008	4.8
131.08571	5.0
133.06450	1.0
133.10129	7.0
135.08049	1.1
135.11693	1.5
137.05925	0.6
137.09596	1.1
137.13286	2.2
141.06956	0.9
141.09084	1.5
142.07799	1.7
143.08563	1.6
145.06415	0.6
145.10114	4.5
147.11679	68.7
148.11989	1.3
149.09636	1.4
151.03943	0.6
151.11110	0.8
153.06981	0.6
155.08589	1.6
156.09273	0.7
157.10107	7.1
159.07944	0.8
159.11705	1.9
161.06026	1.8
161.09492	0.8
161.13210	0.7
163.03917	0.8
165.07030	2.0
165.12750	28.4
169.10213	1.2
171.11681	1.8
173.13306	1.6
175.11171	5.4
175.14917	0.7
183.11705	0.8
183.13837	2.9
185.13223	1.6
187.14880	0.8
191.03342	3.9
193.06473	1.6
193.12233	11.9
193.13867	0.9
197.05989	0.8
197.09657	0.8
197.13254	1.1
199.14804	2.8
201.16418	0.6
202.02856	0.8
210.06766	1.9
211.13303	3.8
211.14970	0.9
221.05972	1.2
221.09523	0.7
224.08229	1.2
225.09088	5.3
227.36131	0.6
229.14221	4.2
243.06474	0.6
253.08595	4.7
253.19925	5.9
267.08752	1.3
267.15918	3.8
267.21252	2.1
270.05188	1.2
285.04269	1.1
285.07550	6.2
285.11365	4.2
285.16980	26.6
285.22205	14.1
286.11954	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	1.5
53.03934	2.9
55.01872	5.7
55.05509	34.4
57.03437	57.7
57.07053	1.4
59.04984	3.1
61.02921	1.2
65.03938	3.5
67.05503	44.2
69.03429	6.3
69.07064	13.0
69.38165	8.7
69.38587	3.0
71.04989	14.8
77.17844	1.2
79.05493	41.5
81.03418	100.0
81.07055	60.7
83.04977	19.6
83.08617	37.3
85.02903	94.6
85.06541	4.7
87.04424	1.4
88.97916	1.4
91.05478	52.5
91.45760	1.1
93.07042	27.7
95.04364	2.5
95.04967	49.6
95.08607	22.2
97.02869	5.5
97.06522	7.5
97.10163	4.5
98.98459	2.1
99.08081	1.8
105.07030	43.2
107.04972	10.7
107.08602	11.5
109.06508	8.2
109.10158	5.9
111.04442	4.8
111.08070	22.9
113.06001	7.5
115.05445	3.4
116.06222	1.4
117.07019	3.4
118.39845	1.2
119.04871	1.4
119.08579	35.1
121.06477	4.9
121.10145	17.6
123.04360	1.9
123.08082	5.6
123.11684	5.6
125.05978	1.2
125.09633	2.5
127.79687	1.2
128.06177	1.5
129.07019	13.8
131.08566	18.0
131.45157	1.1
133.06447	4.7
133.10135	14.3
137.02316	4.7
142.07755	4.4
143.08546	2.1
145.10135	4.5
147.04419	2.0
147.08029	3.7
147.11687	35.1
149.09642	9.2
151.07512	4.1
151.43089	1.0
155.08536	2.3
157.10130	22.9
159.11676	2.3
161.05992	3.3
161.09525	1.9
165.07008	3.6
165.12755	7.7
171.11615	1.7
173.13306	1.8
175.11177	30.1
182.07220	2.0
185.13248	1.3
193.06499	2.5
193.12242	99.2
194.12570	1.3
197.05956	2.0
199.15019	1.7
210.06670	1.5
211.13278	66.8
221.06052	2.4
225.05571	5.7
225.09035	7.8
229.08650	4.8
238.06335	1.4
242.05725	3.4
253.04814	2.0
253.06017	1.3
253.08549	10.9
257.04105	1.4
257.08176	1.5
267.15918	2.4
269.04523	2.5
270.05203	4.4
285.04041	3.5
285.07535	22.0
285.11197	10.0
285.16916	38.5
285.22183	5.7
286.08121	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12809	0.8
53.03935	1.6
55.01881	1.9
55.05265	1.4
55.05510	17.5
57.03435	18.8
57.07063	1.4
59.04982	0.9
63.00032	1.1
65.03929	1.5
67.05503	34.5
69.03407	1.5
69.06730	1.4
69.07069	20.2
69.99645	4.1
71.04985	6.1
79.05487	19.0
79.29013	0.9
81.03394	3.0
81.07055	100.0
83.04979	9.7
83.08614	9.9
85.02903	1.3
85.06545	7.0
91.05481	27.4
93.07044	13.8
95.04976	5.8
95.08051	1.6
95.08605	20.6
97.06524	7.1
97.10162	1.2
98.98434	0.9
99.08079	4.7
105.07031	37.3
107.04965	1.7
107.08595	12.4
109.06525	6.2
109.10143	2.8
111.08063	2.0
113.06025	2.4
117.07011	1.3
119.08578	29.1
121.09328	1.5
121.10140	20.7
123.04432	1.0
123.08071	5.0
123.11707	28.9
125.05953	0.8
127.07538	3.6
129.06963	2.8
131.08546	2.5
133.10112	3.4
137.09599	1.1
137.13251	2.8
141.09094	1.5
142.07803	1.2
143.08571	1.2
145.10118	4.5
145.69635	1.0
146.03584	0.9
147.11685	71.7
149.09618	1.6
152.09909	1.0
153.06946	0.9
154.36734	0.9
157.10147	5.1
159.08014	1.1
161.05954	2.8
161.09581	1.2
161.13281	0.9
165.07002	3.2
165.12759	30.0
169.10117	1.0
171.11673	1.7
173.13263	1.3
175.11140	5.2
175.14851	1.3
179.08521	1.2
181.06425	1.4
182.07210	1.1
183.11874	1.0
183.13809	2.9
185.13231	1.3
193.06439	2.9
193.12276	4.6
195.11526	1.0
197.09634	1.2
199.14870	1.1
210.06696	3.4
211.13185	1.5
211.14940	1.3
221.05914	1.9
225.05624	1.3
225.09116	8.1
229.14326	4.0
239.10628	1.1
242.05824	1.0
253.08542	8.5
267.10037	1.3
267.15860	3.3
267.21054	1.2
270.05103	1.3
285.04327	1.9
285.07544	10.6
285.11230	7.4
285.16888	26.2
285.22131	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	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20936	0.6
50.42226	0.6
53.03949	2.2
55.01871	2.6
55.05511	17.2
57.03436	22.7
57.07074	1.5
57.28350	0.8
65.03950	2.1
67.05502	37.1
69.03423	1.6
69.07066	22.1
70.85011	2.3
71.04997	6.5
73.06561	0.8
79.05492	23.3
81.03424	6.5
81.07054	100.0
81.22321	0.7
82.07384	1.0
83.04980	8.3
83.08620	11.3
85.02924	3.8
85.06551	7.3
91.05478	31.5
93.07037	16.1
95.04961	5.2
95.08608	22.1
95.09064	0.7
97.06514	9.4
97.10165	1.6
99.08088	3.7
101.06010	1.9
105.07028	37.9
106.07359	0.8
107.08595	14.2
109.06521	6.3
109.10155	2.8
111.08076	2.9
113.06010	2.5
117.07011	1.5
118.04171	0.8
119.08580	32.1
121.06525	1.5
121.10145	19.9
123.08089	5.1
123.11701	33.0
127.07548	3.2
128.06169	0.8
129.07002	2.9
131.08560	3.0
133.06505	1.2
133.10120	3.9
137.09677	0.7
137.13269	2.5
141.07027	0.8
141.09120	1.8
142.07748	1.4
143.08577	0.8
145.10123	1.9
147.11682	77.0
148.12054	1.0
149.09549	1.5
151.03909	0.7
153.01967	0.9
157.10085	4.8
161.06085	1.6
165.07028	2.2
165.12753	34.2
166.13052	0.7
170.02060	1.4
172.70094	0.7
175.11191	3.9
175.30836	0.8
176.11591	0.8
182.07291	1.4
183.13783	2.8
193.06519	1.9
193.12306	5.6
197.06024	1.0
199.14792	1.0
209.11090	0.8
210.06714	1.4
211.13258	3.3
213.05449	1.9
221.06003	1.6
225.05394	1.1
225.09125	4.8
225.77399	0.8
229.08560	1.1
229.14343	3.3
239.07060	1.0
242.05861	1.5
253.04897	1.6
253.08575	5.7
267.15839	2.7
269.04401	1.3
270.05347	1.5
270.08554	1.0
285.07513	18.8
285.11133	4.5
285.16888	29.2
285.22125	2.3
286.07727	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.5
55.01859	9.9
55.05507	18.5
56.96558	4.8
57.03433	23.3
57.07050	2.6
57.72091	2.4
61.02916	11.0
63.00012	2.7
67.05507	34.9
68.99788	5.5
69.03428	23.1
69.07071	19.7
70.51103	5.4
70.51492	4.9
71.04984	11.4
73.02914	5.2
79.05493	52.1
81.03424	13.2
81.07056	91.7
83.04972	4.7
83.08612	10.3
85.02906	100.0
85.06518	4.1
87.04465	5.6
91.03934	8.5
91.05479	34.1
93.07046	17.4
95.04973	12.0
95.08604	30.8
97.02892	23.3
97.06533	10.4
97.10168	2.6
98.20770	2.7
98.98444	2.6
99.04456	3.9
99.08085	6.7
102.97031	2.3
105.03382	8.1
105.07031	37.9
105.52966	2.6
107.04958	8.5
107.08595	13.8
109.02882	7.0
109.06505	6.2
109.10138	8.1
111.08055	4.2
114.09997	3.9
115.03956	2.7
115.05487	2.4
117.07005	4.2
119.08587	33.2
121.02853	7.9
121.06503	5.5
121.10117	21.3
123.04428	32.5
123.08040	5.0
123.11726	29.3
127.03937	17.6
127.07600	3.1
129.06992	8.5
131.04903	3.2
131.08568	9.1
133.06441	3.5
133.10147	8.8
134.03658	3.4
135.04405	4.3
135.11682	4.6
137.02344	18.1
137.13153	3.2
141.06967	7.2
142.07823	2.4
143.08569	4.0
144.44348	2.8
145.04965	25.1
145.06396	5.1
145.10136	7.6
147.04399	9.3
147.11688	80.4
149.02353	9.4
153.05482	3.4
153.06970	4.8
154.07797	2.9
155.08569	4.2
157.10130	8.9
159.07954	2.8
159.11690	6.4
161.05946	10.7
163.03915	6.6
165.06972	13.2
165.12776	29.8
168.05693	4.1
169.06512	6.1
171.11688	4.9
173.05928	4.6
175.11215	4.1
181.06499	6.1
182.07246	2.3
183.13887	3.4
185.05937	3.3
185.13187	3.4
186.06735	2.5
187.03922	8.9
187.07703	2.7
189.05496	7.5
191.03398	23.2
193.06474	10.4
193.12312	5.6
194.07156	2.4
197.05991	10.9
197.09570	2.9
197.13312	4.8
199.30983	2.9
210.06749	8.8
211.07439	3.4
211.14877	3.5
213.05460	5.5
214.06154	3.8
215.03377	7.1
221.05952	11.0
224.04277	2.6
225.05403	6.9
225.09120	21.9
228.04141	3.4
229.14352	3.9
237.02686	3.2
238.06291	3.6
239.06985	7.8
242.05859	17.4
243.06493	9.5
253.04950	9.7
253.08601	31.7
257.04297	7.8
267.10278	4.6
267.21085	6.8
269.04434	36.5
270.05212	58.4
270.08295	4.6
271.05930	8.7
285.03970	25.6
285.07568	96.2
285.11191	26.1
285.16898	23.8
285.21829	13.6
285.29892	3.9
286.08365	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	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.8
53.03941	2.9
53.85063	0.7
55.01864	2.7
55.05265	1.3
55.05511	18.5
55.97465	0.8
57.03437	25.1
57.07058	1.2
59.04992	0.9
61.34966	0.7
65.03947	1.4
65.87334	0.8
67.05503	37.0
69.03417	2.2
69.06721	1.3
69.07066	19.8
70.04476	3.2
71.04991	9.6
79.05490	23.2
81.02979	1.4
81.03416	15.9
81.07057	100.0
82.07377	1.1
83.04981	10.1
83.08621	13.8
85.02919	7.5
85.06554	6.6
91.05479	33.0
93.07042	17.8
95.04960	10.8
95.08607	21.8
97.06533	7.7
97.10164	1.3
98.20720	1.0
99.08086	4.6
101.06008	1.4
103.05481	1.0
105.07029	42.5
107.04951	1.8
107.08586	11.5
108.08144	0.9
109.06532	8.0
109.07207	1.3
109.10137	2.9
111.08099	3.6
113.05980	2.4
117.07008	2.4
119.08575	30.4
121.06490	1.6
121.10140	21.0
123.08067	5.6
123.11707	29.7
127.07560	2.4
129.07024	4.4
131.08562	4.3
133.10136	4.7
135.11673	1.8
137.09634	1.2
137.13206	2.7
141.09088	0.9
142.07787	1.9
143.08560	1.3
145.10123	3.4
147.11685	72.7
149.09615	1.4
154.08713	0.9
155.08679	0.8
157.10136	6.9
158.20403	0.7
159.11691	1.1
163.11166	1.1
165.06990	1.5
165.12750	31.9
169.10167	1.1
171.11659	1.2
173.13171	0.8
175.11189	6.4
183.13799	2.9
191.03397	1.6
193.06566	1.0
193.12238	11.8
197.13336	1.1
199.14838	1.0
201.90869	0.9
210.06801	1.7
211.07413	1.1
211.13248	5.3
211.14926	0.7
216.82324	0.8
221.05933	1.0
225.09062	3.2
229.14247	4.5
253.08589	3.3
253.19937	4.3
264.67941	0.8
267.16006	3.8
267.21234	1.2
285.04593	1.0
285.07565	5.4
285.11307	2.6
285.14026	1.5
285.16965	28.2
285.22104	9.7
286.17505	0.9
301.31924	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.0
55.01858	5.4
55.05510	21.4
57.03437	40.1
57.75024	2.1
67.05502	35.3
69.03428	6.0
69.07057	7.9
69.47772	17.6
71.04971	8.0
79.05492	30.8
80.20281	2.3
81.03417	100.0
81.07053	37.4
83.04979	13.7
83.08620	32.0
85.02902	67.3
85.06558	2.2
91.05483	36.5
93.07046	22.4
95.04972	36.6
95.08611	15.1
97.02908	4.8
97.06525	8.7
97.10188	3.8
105.07031	25.8
107.04969	10.4
107.08607	10.0
109.06520	8.3
109.10146	6.6
111.04412	4.0
111.08086	21.6
113.06026	5.3
119.08572	22.3
121.06481	3.6
121.10126	13.4
123.11665	4.7
126.09065	2.3
129.07010	16.7
131.08582	11.7
133.06479	4.4
133.10127	12.8
137.09619	3.1
142.07770	4.1
145.10065	2.5
147.08025	2.8
147.11671	25.1
149.09625	9.7
157.10144	22.0
165.12718	7.6
175.11203	24.5
193.12242	78.2
211.13280	43.7
229.14291	3.7
253.19847	11.1
267.15933	5.8
285.04010	4.9
285.17007	23.4
285.22357	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	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
55.01865	5.6
55.05511	33.2
55.64613	1.6
57.03438	59.8
59.04999	2.5
59.11785	1.5
65.03957	2.8
67.05507	50.4
69.03423	6.2
69.07068	13.2
69.51391	14.0
71.04989	10.9
79.05496	52.1
81.03420	100.0
81.07059	63.0
83.04986	25.1
83.08618	40.2
85.02905	90.6
85.06546	5.0
89.03234	1.5
91.05482	62.6
93.07047	34.1
95.04970	47.1
95.08605	24.2
97.02886	4.8
97.06538	7.1
97.10184	4.8
99.08026	1.6
105.07030	44.6
107.04945	10.6
107.08591	15.6
109.06529	11.1
109.10188	4.9
111.04454	4.6
111.08091	20.7
113.06023	7.4
115.05417	2.9
117.07054	2.7
119.04994	1.9
119.08588	34.6
121.06461	2.0
121.10146	21.7
123.08062	7.1
123.11716	3.5
127.07533	1.6
129.06996	17.2
131.08554	19.9
133.06519	2.9
133.10124	20.4
134.93283	1.7
137.09608	3.9
142.07785	5.0
145.10162	2.4
147.08070	2.2
147.11687	29.7
149.09622	11.8
151.07524	1.9
157.10124	25.5
165.12796	6.7
175.11163	23.0
190.59930	1.6
193.12241	71.3
211.13301	43.4
229.14285	2.9
253.08682	3.2
267.15884	2.8
268.19125	2.7
279.03879	2.4
285.04089	2.0
285.07498	3.1
285.11929	1.8
285.16977	39.6
285.22256	6.0
292.10739	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.3
55.01863	7.4
55.05510	37.3
57.03436	54.3
61.45084	2.4
63.00030	2.7
65.03930	6.3
65.89638	2.5
67.05502	48.1
68.99776	7.0
69.03413	8.9
69.07075	16.3
70.06604	3.4
70.93623	3.7
70.93952	4.7
71.01362	2.4
71.04993	15.4
74.06068	3.8
75.04469	2.4
79.05494	57.6
81.03419	100.0
81.07062	56.5
82.06578	8.2
82.48421	2.4
83.04984	23.9
83.08620	34.1
85.02904	86.7
85.06533	5.1
91.05482	64.6
93.07040	36.9
94.06583	6.7
95.04964	45.7
95.08601	27.3
97.02879	5.3
97.06532	8.8
97.10199	4.1
99.08021	2.6
100.11224	2.2
100.34455	2.6
103.05511	2.9
105.07029	43.1
107.04948	11.9
107.08585	17.0
108.08121	2.5
109.06516	11.9
109.10129	9.0
111.04458	4.2
111.08077	22.3
113.06033	6.8
115.05434	7.6
117.07018	3.0
119.08577	35.1
121.02924	3.2
121.10141	22.9
121.21984	2.5
123.08054	3.5
123.11710	4.4
128.06242	4.5
129.06999	18.9
131.04901	2.9
131.08563	21.1
133.06496	7.3
133.10146	20.8
137.02299	3.7
137.09731	2.9
141.01839	5.1
142.07788	7.3
145.06473	5.2
145.10094	5.2
147.08000	4.5
147.11673	31.6
149.09605	9.6
150.05484	3.3
151.03847	3.2
151.10988	2.4
155.04938	9.0
157.10118	25.0
161.05927	3.1
165.01857	22.2
165.07022	4.6
165.12776	8.3
173.05989	8.6
175.11194	22.8
183.02924	32.9
183.04381	4.4
187.03905	8.1
193.06386	3.4
193.12242	86.4
199.14764	2.9
201.05432	12.6
210.06804	5.2
211.13303	53.1
213.05365	4.3
215.03487	2.6
221.06041	3.7
225.09071	9.5
229.04939	31.3
232.17017	3.6
239.03226	2.8
242.05724	31.2
250.18068	5.6
253.08661	16.7
257.04425	23.1
267.17960	4.1
268.10815	2.4
268.19009	9.2
270.05209	39.6
285.03931	69.8
285.07593	64.6
285.11383	10.7
285.16855	40.4
285.21863	3.5
286.04352	3.2
286.20099	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	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.0
54.04051	2.1
55.01869	7.5
55.05507	29.1
57.03440	35.7
57.47820	2.1
63.00028	3.1
65.03951	3.5
66.82217	2.1
67.01865	2.3
67.05506	35.7
68.99796	8.3
69.03416	8.0
69.07067	12.5
70.06597	2.2
71.04987	9.4
71.58311	2.2
71.58674	3.0
71.82342	2.0
74.06067	3.4
79.05492	37.0
80.99028	1.9
81.03418	95.3
81.07057	47.0
82.06581	8.3
83.04983	24.4
83.08617	32.3
85.02910	47.0
85.06542	5.2
91.05479	39.9
93.07040	22.6
94.06573	6.6
95.04967	42.2
95.08593	17.7
97.02892	5.4
97.06525	9.3
97.10162	2.9
98.98505	3.7
99.08090	2.6
100.07635	3.9
100.11230	3.1
105.07023	30.2
107.04969	14.5
107.08588	11.9
108.08109	4.8
109.06500	7.7
109.10135	7.8
110.07230	3.2
111.04439	2.4
111.08101	18.0
113.06021	4.2
115.05453	5.4
117.07024	5.9
119.08586	27.2
121.02843	4.0
121.06444	3.4
121.10146	15.4
123.04440	5.0
123.08059	4.4
123.11683	7.4
125.00012	2.3
129.06989	14.5
131.04948	6.0
131.08571	12.5
132.08051	2.7
133.06482	6.8
133.10114	14.6
134.03592	3.9
135.11664	3.2
137.02370	12.4
137.09590	3.6
142.07820	4.2
144.57587	2.1
145.06459	7.1
145.10104	5.8
147.08015	4.2
147.11691	25.3
149.09624	5.1
150.05469	3.9
155.04886	13.0
157.10135	20.7
161.06030	6.6
165.06984	3.0
165.12726	4.4
171.01332	2.3
173.05939	7.1
175.11159	23.8
181.06476	2.3
183.04471	5.4
187.03871	7.2
193.12250	74.0
197.05995	5.8
201.05469	18.9
210.06673	2.7
211.03912	2.7
211.13318	33.6
213.05510	9.4
214.06253	5.1
221.05894	3.5
225.05489	8.0
225.09163	7.6
229.04964	45.4
229.14258	4.0
230.05550	3.8
232.17023	4.8
239.03392	4.4
243.02650	3.0
250.17961	6.6
253.05028	11.3
253.08640	6.0
257.04483	25.3
267.15842	6.1
268.19073	24.5
269.04373	4.3
270.05151	15.2
285.03928	100.0
285.07532	45.7
285.11118	6.3
285.13742	2.6
285.16949	28.8
285.22150	16.2
286.04422	9.3
286.20129	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	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
55.01866	3.4
55.05511	20.6
57.03437	33.0
57.07070	3.1
61.11131	1.2
63.00031	2.3
67.05505	37.8
69.03430	2.7
69.07069	20.0
69.30360	5.4
69.30785	9.3
71.04996	8.5
79.05495	28.0
81.03418	24.1
81.07057	100.0
83.04987	9.5
83.08622	18.2
85.02905	20.2
85.06540	7.9
91.05480	35.4
91.06013	2.4
93.07046	21.4
95.04971	12.4
95.08596	21.7
97.06525	6.6
97.10156	1.8
98.97541	2.4
98.98480	1.5
99.08078	3.1
101.06026	1.7
105.07035	42.6
107.04990	2.9
107.08611	13.2
109.06520	10.1
109.10154	3.8
111.08072	6.4
113.05999	2.7
115.05456	2.1
116.09428	1.3
116.98682	1.6
119.08578	33.7
121.06556	1.5
121.10141	21.9
121.10927	2.0
122.10490	1.3
123.08087	5.3
123.11703	27.6
129.07065	3.9
131.08545	6.7
133.10120	3.9
137.09633	2.5
137.13269	2.1
142.07800	3.1
145.10123	2.2
147.08095	2.1
147.11690	65.3
149.09659	3.0
151.03938	1.6
156.60109	1.3
157.10124	7.5
165.12749	26.5
175.11186	9.7
183.13904	2.7
193.12265	21.4
197.06058	1.9
211.13272	14.5
225.09209	2.0
229.14279	3.0
267.15942	3.4
269.04422	2.1
270.05255	2.8
285.04553	1.8
285.07602	10.8
285.16928	32.7
285.22079	3.2
285.30020	1.5
303.61053	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47536	2.4
53.03942	6.4
55.01865	6.3
55.05265	2.9
55.05509	29.8
56.96566	2.9
57.03180	3.8
57.03440	44.6
60.89563	2.8
63.00043	5.6
67.05506	40.1
69.03430	5.4
69.07067	13.3
69.32515	9.5
69.32944	20.3
71.04987	8.3
79.05493	36.8
81.03416	100.0
81.07059	66.2
83.04966	11.2
83.08620	32.8
85.02905	73.6
85.03308	1.7
85.06522	3.7
89.74788	2.6
91.05479	38.0
93.07054	24.3
95.04975	38.2
95.08604	21.4
97.02869	5.5
97.06525	6.6
97.10155	4.7
98.98470	5.3
105.07038	41.5
107.04967	10.3
107.08594	13.1
109.06517	10.2
109.10139	7.1
111.04427	3.4
111.08068	16.2
113.06003	8.0
115.05475	2.9
117.06989	4.2
119.08593	37.5
121.06474	6.3
121.10143	22.5
123.08117	4.2
123.11686	8.6
125.35588	2.8
129.07001	17.6
130.56334	3.5
131.08606	13.5
133.06467	3.1
133.10120	11.2
137.09712	3.6
142.07802	3.2
143.08536	3.1
145.10126	6.1
147.08054	2.9
147.11699	32.3
149.09599	8.5
151.03864	5.7
157.10135	25.2
160.97656	2.9
165.12759	13.3
170.66173	2.5
175.11168	24.7
176.20570	2.7
193.12244	77.7
197.05933	4.3
197.09508	3.1
199.14894	3.6
210.06778	3.2
211.13290	47.9
211.15166	3.2
213.05493	3.4
225.09108	10.4
229.14304	3.4
232.05490	2.8
253.08647	8.9
267.15973	4.0
269.04263	3.6
270.05270	5.2
285.04221	5.9
285.07562	23.9
285.11108	10.7
285.16977	33.6
285.21964	3.9
285.29755	3.9
287.20480	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	285.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77319	0.5
55.01860	0.5
56.96560	3.4
58.99867	2.0
69.07068	4.7
70.06589	1.9
71.56819	0.8
72.04531	0.5
72.08131	0.8
74.06067	0.5
77.00909	5.5
84.08149	1.8
86.09702	88.1
94.01410	0.7
94.80924	0.4
95.01943	1.9
97.06542	1.4
100.02473	1.8
102.04086	0.7
102.73418	0.5
105.00397	1.0
110.07156	2.5
112.02477	1.2
118.03528	1.4
119.01917	0.6
119.06084	0.5
120.05114	0.5
120.06399	1.8
128.05571	1.4
130.03514	5.2
131.01930	2.4
135.03101	0.6
139.63686	0.5
142.07130	10.1
144.08687	7.2
146.06644	1.7
146.99651	0.7
148.04573	1.2
149.02979	1.9
152.05670	8.7
152.06883	0.8
153.04155	0.9
153.06163	5.5
154.07167	2.0
155.05542	0.8
156.07674	0.6
160.08192	36.1
161.08292	1.0
162.09756	22.1
164.11307	1.0
165.06599	1.0
166.06935	1.8
172.08186	56.4
173.06635	3.0
173.08224	1.2
174.09776	4.2
185.11401	0.8
187.06905	0.9
188.06013	0.8
189.10887	1.3
190.05769	0.7
190.09227	18.3
191.07664	8.2
191.09352	0.8
195.09776	2.2
197.11337	1.0
198.09778	1.4
202.09259	1.0
207.11864	3.3
208.10289	6.0
213.10809	0.6
216.10847	1.1
217.10307	0.6
224.07997	0.8
225.10948	0.6
226.09218	0.9
227.16025	1.8
229.17542	0.6
237.14488	1.2
239.16031	6.7
240.14377	4.3
241.17746	0.8
242.15991	1.7
243.11926	1.1
244.10350	1.1
252.13310	0.6
255.15608	1.6
257.17084	10.2
258.15442	4.7
262.02960	0.8
267.15518	3.9
268.11264	0.7
268.14020	1.7
273.16528	4.7
274.16974	0.5
275.18149	20.0
280.18643	0.7
285.16568	49.3
286.11533	1.5
286.15018	4.0
303.17639	100.0
304.12433	0.8
304.17914	2.2
308.18079	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	285.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	5.6
55.90731	3.2
57.03452	4.3
67.05524	4.0
69.71439	3.1
69.92427	18.2
70.06600	6.5
79.05497	10.6
81.03433	9.2
81.07088	4.1
82.33861	3.2
86.46886	3.1
91.05479	22.2
93.07057	7.2
95.04987	7.3
100.11244	4.4
103.05486	6.3
105.03372	4.4
105.07043	21.7
107.04980	13.5
107.08656	3.4
108.67489	3.4
109.06525	8.3
115.05489	5.2
119.04949	27.6
121.06536	12.1
123.04452	3.5
124.07627	4.0
125.02556	4.5
133.06509	19.7
135.04425	13.5
140.04727	10.8
147.04419	6.7
149.05934	17.7
151.07573	16.4
153.05464	100.0
154.05928	4.0
161.05986	31.5
165.05499	4.8
165.07025	6.0
167.07039	20.4
168.07829	76.9
175.11278	3.4
176.45953	4.0
177.05553	5.0
179.07033	10.3
181.06465	3.8
181.08560	5.5
193.08615	33.9
196.07295	78.3
209.08099	6.6
210.06918	4.6
211.07776	5.4
211.09659	39.3
221.05949	5.7
225.09091	5.7
253.08571	9.2
265.39011	3.1
285.07703	8.8
285.11276	5.3
285.24316	4.6
296.08414	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	285.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.0
55.05504	3.0
56.96572	1.6
57.03440	4.4
61.79653	1.7
62.43792	1.8
63.00035	5.1
65.03962	2.1
67.05500	2.4
68.99795	2.8
69.03407	2.3
70.56559	1.6
71.57887	3.2
72.08158	4.4
79.05499	8.2
81.03398	3.1
81.07039	4.5
84.04508	4.0
84.08128	1.8
86.09705	4.1
91.05480	23.9
93.07038	4.9
95.04967	4.3
97.06574	2.4
98.98473	3.5
99.04395	1.8
100.11252	5.8
103.05463	4.1
105.03407	5.6
105.07034	15.7
107.04980	14.1
108.05728	3.0
109.06518	4.8
110.07175	4.3
111.04485	3.0
115.05446	4.6
119.04953	21.9
121.06488	8.7
123.04401	13.0
123.08082	3.2
125.06026	3.3
133.06500	16.3
134.03694	2.7
135.04395	8.8
136.05142	6.6
137.02339	3.1
137.05965	4.0
140.04675	9.4
147.04442	3.9
149.05978	16.5
151.03865	4.6
151.07536	13.7
153.01923	4.3
153.05467	100.0
153.09093	2.3
161.05983	29.2
163.03844	3.5
165.05586	2.9
165.06978	3.2
167.07021	18.0
168.07819	74.2
169.06389	2.0
177.05518	3.2
179.07054	6.4
181.08617	5.7
193.08611	26.4
196.07303	61.9
209.08076	2.9
210.11203	3.1
211.07726	2.9
211.09653	33.1
225.05824	1.9
225.09007	3.7
227.06999	2.1
257.04456	1.8
285.07605	21.2
285.29904	2.7
286.04672	3.7
292.70212	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1121
Annotation	Glypallichalcone
Peak:m/z	Relative Intensity
50.04423	0.5
51.53990	0.5
53.03940	2.7
55.01856	0.6
63.00048	1.4
67.05495	1.3
69.92661	3.7
71.69343	0.6
77.03921	0.8
78.04704	1.0
79.05495	4.2
81.03403	1.3
81.07050	2.2
83.08624	0.7
91.05473	5.1
91.10237	0.6
93.07009	0.8
94.04178	19.1
95.04971	8.7
95.08640	0.9
98.98449	1.3
103.05468	1.4
105.04521	0.9
105.07020	4.4
107.04941	2.4
109.06513	66.0
110.06803	1.0
121.06498	86.1
122.06846	0.7
123.04423	3.3
125.05984	0.9
133.06422	3.2
134.07324	0.9
135.04399	4.4
135.08055	5.7
136.08299	0.6
137.05972	100.0
138.06349	1.1
147.04315	0.8
147.07968	0.9
147.11673	0.9
149.05977	31.7
151.03889	17.7
161.05959	1.1
175.03909	0.9
177.05463	75.3
178.05884	0.8
224.08298	1.0
225.09120	0.7
229.08620	0.9
239.10631	0.7
257.11743	3.4
267.10028	1.2
270.05103	0.8
284.29202	0.7
285.07639	5.7
285.11163	59.8
285.29480	0.7
286.11441	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1121
Annotation	Glypallichalcone
Peak:m/z	Relative Intensity
53.03930	0.5
55.01851	0.3
55.44170	0.3
57.07080	0.5
63.00026	0.4
66.04706	0.8
66.65296	0.3
67.05489	0.6
74.33413	0.3
76.14168	0.4
79.05487	5.1
81.07052	2.6
83.44165	0.3
91.05466	0.8
94.04156	1.7
95.04955	1.2
95.08601	0.4
98.99982	0.3
100.63979	0.4
109.06515	12.8
109.07262	0.7
117.07056	0.3
118.04132	0.5
121.06496	1.2
123.04467	0.4
133.06508	1.3
137.05974	100.0
137.34749	0.4
138.06317	0.8
145.10104	0.7
147.04385	0.5
149.05986	1.6
151.03906	1.3
159.11644	1.0
161.05980	11.2
162.06589	0.5
177.05449	2.1
188.93739	0.4
200.29956	0.4
255.06691	0.3
257.11691	1.0
274.01056	0.4
284.29590	0.8
285.04785	0.4
285.07608	2.2
285.11264	5.1
285.22052	0.8
285.29883	0.8
289.07748	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.5
55.01869	3.6
55.05511	2.3
55.31451	0.6
56.96560	2.0
57.03437	6.1
57.60751	0.7
61.02926	12.0
63.00035	1.3
67.05507	4.0
68.99779	1.0
69.03429	21.2
69.07067	2.3
69.42429	7.1
71.04987	3.4
73.02926	5.4
79.05495	25.2
81.03410	9.3
81.03847	0.9
81.07056	6.9
83.01323	1.3
83.08599	1.5
83.46608	0.7
85.02906	100.0
87.04474	3.1
91.03948	5.3
91.05490	3.0
93.07052	2.6
95.04974	4.4
95.08613	2.8
97.02896	22.8
97.03525	1.5
97.06524	1.1
98.21492	1.0
98.97599	1.4
99.04464	3.4
105.03387	7.1
105.07056	4.4
107.04970	1.5
107.08593	2.4
109.02869	7.6
109.06561	1.1
109.10197	1.5
110.97591	0.8
111.08115	1.0
115.03922	1.2
116.98646	1.5
117.06973	1.7
119.08587	3.5
121.02825	1.0
121.06541	1.1
121.10158	2.2
123.04425	31.7
123.11732	1.0
127.03918	19.1
127.04813	1.4
128.98656	1.0
131.04948	0.8
131.08537	1.6
133.10172	1.1
134.99684	0.8
135.04413	0.7
137.02267	1.7
137.05975	1.1
137.13182	0.7
141.07030	1.6
143.08620	0.7
145.04964	21.7
145.10159	2.4
146.03638	0.9
146.99641	1.4
147.04465	0.9
147.11710	3.2
149.02441	1.0
149.09703	0.8
155.08516	1.0
157.10162	1.4
159.11784	1.4
161.06007	3.3
163.03917	2.1
163.06091	2.4
165.07027	3.4
165.12781	1.2
167.08453	0.8
168.05722	0.8
169.06442	1.1
169.10265	1.0
173.05960	1.1
173.13278	0.9
175.11214	1.2
177.00764	1.2
178.71141	0.8
182.07310	1.4
183.11754	1.1
191.03415	8.3
193.06537	2.8
193.12262	1.1
197.06029	5.7
197.13147	1.0
210.06839	3.6
211.07567	1.0
211.14975	1.2
214.06241	1.1
221.05916	3.5
225.05568	3.9
225.09058	6.6
226.06342	0.8
229.04985	1.0
237.02652	1.9
242.05888	3.5
243.06555	2.1
253.04956	2.2
253.08617	12.5
257.03824	1.1
257.07974	1.6
267.21121	0.9
269.04514	2.7
270.05270	6.8
285.04092	4.0
285.07635	22.2
285.11279	6.2
285.15103	0.9
285.18759	1.6
285.22205	4.1
286.08145	1.0
303.07474	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0756
Annotation	Biochanin A
Peak:m/z	Relative Intensity
51.02387	0.2
55.01873	0.4
63.00039	0.4
67.05497	0.4
68.66167	0.2
70.13216	0.2
70.34218	0.5
70.34599	0.7
79.05494	0.5
81.03395	0.3
81.07032	0.8
89.03899	0.5
91.05492	1.1
93.07032	0.5
95.04951	0.4
95.08554	0.4
97.02885	0.3
98.21548	0.3
99.50992	0.2
103.05421	0.3
105.03407	0.3
105.07015	1.0
107.04958	1.6
107.08558	0.4
108.02121	0.4
109.02920	0.3
115.05413	0.5
117.03307	0.2
117.07016	0.4
117.50618	0.2
118.04167	0.6
119.04932	0.9
119.08580	0.5
121.02872	0.5
121.06474	1.3
123.04436	0.4
124.01507	0.3
125.02309	0.4
129.06993	0.7
131.04898	0.7
131.08534	0.2
133.02882	0.4
133.06487	0.8
134.03627	7.1
135.04329	0.3
137.02332	10.5
137.05948	0.8
141.06989	2.4
145.02831	0.3
145.06482	0.4
145.10112	0.5
147.04333	0.4
151.03935	0.4
151.07529	0.8
153.01793	0.7
153.06984	0.4
154.02521	0.4
155.05031	0.3
157.06451	0.5
157.10078	0.3
158.07269	0.8
159.04402	0.3
159.11684	0.3
161.02306	0.4
161.05998	0.6
165.07011	0.7
167.03365	0.4
168.05762	1.2
169.06491	2.2
172.26855	0.2
179.08534	0.6
181.06512	0.8
183.04422	0.6
185.05951	1.3
186.06755	2.0
194.07303	0.4
196.05214	0.8
197.05991	6.1
197.13206	0.3
199.07529	0.3
207.08116	0.4
210.06616	0.4
211.07520	0.4
213.05464	9.3
214.06233	6.3
215.06674	0.3
221.06081	0.5
224.03189	0.4
224.04938	0.4
225.05469	12.2
225.08740	1.2
226.06001	0.5
229.08623	2.2
238.06238	0.3
239.06085	0.3
239.10619	0.4
241.04971	0.7
241.08723	0.3
242.05809	4.2
252.04170	0.4
253.04942	16.0
253.08501	1.4
254.05347	0.6
257.08060	0.7
267.06317	0.4
267.10178	0.9
267.21078	0.5
269.04425	4.8
270.05219	28.9
271.05624	0.6
285.07568	100.0
285.21753	1.1
286.07962	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0757
Annotation	Biochanin A
Peak:m/z	Relative Intensity
55.05481	0.5
64.05641	0.3
66.94468	0.4
67.05492	0.7
69.07069	0.5
70.71613	0.8
79.05480	0.7
81.03391	0.8
81.07058	0.9
91.05456	0.5
93.07019	0.5
95.04949	0.8
109.10069	0.4
119.08557	0.5
121.06408	0.4
134.02628	0.6
134.03635	9.5
137.02328	14.4
137.46619	0.4
141.07016	2.6
145.10100	0.5
147.11674	0.6
153.06958	0.6
155.04898	0.8
157.06436	0.6
158.07281	0.9
161.05948	0.7
165.06993	0.8
168.05728	0.8
169.06508	1.7
181.06461	0.8
183.04430	1.0
185.05968	0.9
186.06749	2.2
193.06468	0.7
196.05223	0.7
197.05989	6.0
213.05467	12.2
214.06236	8.7
221.05940	0.5
224.04723	0.7
225.05472	15.0
225.08850	1.8
226.05864	0.5
229.08598	2.3
236.08897	0.4
241.04990	0.8
242.05748	1.7
253.04977	14.3
253.08372	2.1
257.08090	0.8
269.04419	6.3
270.05228	30.8
271.05606	1.3
274.13196	0.4
285.07568	100.0
285.22025	1.1
286.07849	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0757
Annotation	Acacetin
Peak:m/z	Relative Intensity
50.82818	0.4
52.69584	0.3
70.63980	0.8
70.64378	0.9
76.93268	0.4
81.07024	0.5
91.26588	0.4
103.53709	0.4
105.06956	0.6
109.23665	0.5
137.02307	1.2
147.11638	0.4
185.05890	0.5
207.16830	0.4
213.05457	3.0
229.08678	0.5
241.04944	0.9
242.05742	47.9
243.06064	1.1
253.08485	0.7
268.30884	0.5
269.04468	1.5
270.05237	68.1
271.05600	2.1
285.07584	100.0
286.07925	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0753
Annotation	Biochanin A
Peak:m/z	Relative Intensity
53.58508	0.5
55.05495	1.3
56.96550	1.2
61.09736	0.5
63.00035	0.8
67.05490	1.5
68.99783	0.9
69.03403	0.7
69.07072	0.7
70.43722	0.6
70.87601	1.6
71.04997	0.7
78.79382	0.5
79.05472	0.9
81.03396	1.0
81.07048	4.1
83.04980	1.5
83.08612	0.7
83.60488	0.6
85.02886	0.6
91.05476	1.3
93.07004	0.7
93.87594	0.5
95.08593	2.7
97.02879	1.4
97.49557	0.5
98.98444	1.0
107.05025	0.8
109.06492	0.8
111.04469	0.5
111.08450	0.6
115.05402	0.6
117.67688	0.5
119.08556	0.7
121.02831	0.6
121.06539	0.7
121.17031	0.6
121.55414	0.5
131.04951	0.6
134.03609	8.9
137.02335	16.1
137.72903	0.6
139.03853	0.6
141.06975	2.1
149.01126	0.7
154.02489	0.8
155.04935	1.2
157.10071	0.6
161.05981	0.7
165.01860	1.4
165.07040	0.8
168.05672	1.2
169.06485	2.0
173.05890	0.8
181.06499	0.8
183.02896	1.7
185.05945	1.8
186.06755	2.2
197.05971	5.0
199.14862	0.7
201.05383	1.3
203.02383	0.8
204.86140	0.7
213.05481	10.5
214.06244	7.9
225.05429	14.7
225.08994	1.3
229.04982	2.8
229.08626	2.5
239.19981	0.7
241.04689	0.8
242.05756	2.4
253.02435	1.1
253.04951	13.7
253.07903	1.0
253.08678	1.0
254.05258	0.6
257.04401	1.8
269.04465	5.7
270.05215	28.9
271.16415	0.6
285.04059	6.1
285.07541	100.0
286.04865	0.8
286.07898	3.8
303.04999	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0758
Annotation	Biochanin A
Peak:m/z	Relative Intensity
54.43269	0.6
55.01869	1.7
55.05500	3.3
56.31609	0.7
56.96560	0.8
57.03426	3.0
57.07079	1.2
63.00031	1.9
67.05503	7.8
68.72185	0.7
68.99794	0.9
69.07056	3.9
69.72377	5.4
74.00674	0.6
75.63953	0.8
79.05476	3.9
81.03413	1.2
81.07059	18.2
83.05002	1.3
83.08585	1.3
85.02924	0.9
85.06547	1.4
87.63983	0.7
88.43462	0.7
91.05482	6.5
93.07050	4.0
95.04971	1.8
95.08611	6.3
97.06533	2.0
98.21421	1.5
98.98472	1.8
105.07026	7.7
107.04967	1.0
107.08604	2.7
109.06477	1.0
109.10061	0.8
119.08585	6.0
121.02900	0.9
121.06469	1.5
121.10135	5.1
123.04446	1.8
123.08067	0.8
123.11715	5.2
129.07007	1.4
131.08560	1.2
133.06474	0.7
133.10124	0.9
134.03635	10.3
137.02339	23.7
141.07019	3.6
145.10136	2.3
147.11696	10.1
149.02364	1.3
151.03891	2.2
152.06316	1.0
153.06975	1.2
154.02585	1.2
157.10107	1.4
159.11714	1.2
161.06012	2.2
163.03857	1.5
165.07011	2.1
165.12720	5.7
168.05722	1.7
169.06435	1.4
170.02119	1.8
171.11702	1.1
175.03903	1.6
177.00859	0.8
181.06509	1.6
182.07201	0.9
186.06725	1.1
193.06534	1.0
196.05209	0.8
197.05991	7.0
199.14792	1.6
210.06769	1.4
211.14940	1.3
213.05472	5.4
214.06203	1.6
215.03343	0.9
221.05951	3.0
224.04707	1.2
225.05470	17.1
225.08899	4.2
226.06010	0.7
228.04063	0.9
229.08662	5.1
239.06911	1.3
241.05057	1.8
242.05719	5.5
243.11353	1.6
252.04352	0.9
253.04964	19.5
253.08594	6.9
257.04504	1.2
257.07977	1.3
267.20996	1.3
269.04446	16.5
270.05243	21.5
270.08273	1.6
284.29303	1.1
285.07584	100.0
285.11090	6.5
285.16580	4.2
285.22052	4.1
285.29901	1.2
286.08014	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	285.0756
Annotation	Biochanin A
Peak:m/z	Relative Intensity
53.03930	0.7
55.01867	0.6
55.39304	0.5
61.67393	0.5
62.37695	0.5
63.00053	0.8
64.89041	0.5
67.05491	1.1
68.99792	0.6
70.84531	1.5
72.08126	0.5
79.05470	1.8
81.03413	1.2
81.07051	1.2
87.92117	0.5
89.03925	0.7
91.05481	3.3
93.07039	0.6
95.04964	2.0
95.08585	1.0
97.02902	0.5
98.98460	1.3
99.12530	0.5
103.05441	0.9
105.07015	1.9
107.04927	1.7
107.08573	0.6
118.04145	0.7
119.04945	2.1
119.08592	0.9
121.06501	9.2
123.04403	2.5
131.04907	0.7
133.06502	0.6
133.10110	0.6
134.03609	0.8
135.04375	0.8
135.08113	1.2
137.01360	1.0
137.02339	14.3
137.05942	1.6
139.07552	1.6
141.06979	0.9
145.06523	0.8
146.03603	0.7
147.04419	6.0
148.05154	1.3
149.02319	1.1
149.05968	1.1
151.03925	1.4
151.07530	8.0
153.01770	0.7
157.10110	0.8
161.05980	1.7
163.03902	0.6
163.07541	2.2
165.07007	1.5
167.03333	1.0
168.05696	1.9
169.06499	0.6
170.02109	4.2
175.03914	1.5
175.07556	2.3
182.07193	0.9
183.08069	2.3
183.90068	0.6
186.06726	1.5
187.03807	0.7
193.06461	1.3
196.05156	0.8
197.05946	3.4
200.04666	0.9
210.06734	1.4
211.07553	2.2
213.05334	2.7
214.06145	3.6
221.05960	1.5
224.04698	2.0
225.05449	12.5
225.08923	2.4
227.03378	0.6
229.05049	0.9
229.08600	10.2
239.07074	1.7
241.05157	0.7
242.05666	3.5
250.56200	0.6
252.04189	2.8
253.05005	2.5
253.08627	3.4
254.09395	0.9
257.08130	2.9
257.11771	1.9
267.06519	1.4
269.04541	3.0
270.05209	3.2
270.08896	1.0
285.07590	100.0
285.11118	11.6
285.22089	1.6
286.07932	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	285.0756
Annotation	Biochanin_A
Peak:m/z	Relative Intensity
58.92408	0.7
63.00038	1.6
69.07081	1.0
69.44244	7.5
69.44644	1.8
81.03380	0.8
81.07040	1.3
98.98448	2.7
105.07015	1.4
107.04904	0.9
121.06464	1.8
129.06950	1.1
134.03641	3.9
135.04422	2.1
137.02330	13.3
141.06950	1.2
149.02310	3.4
151.03900	1.9
154.02577	0.8
158.07275	1.0
160.97694	1.3
161.05981	0.9
163.03877	1.6
168.05707	3.1
169.06488	1.9
170.02089	2.5
179.40263	0.9
182.98744	0.8
183.08037	2.7
185.05960	1.1
186.06767	2.1
196.05203	1.3
197.05951	3.1
198.06573	1.0
211.07547	2.0
213.05394	7.4
214.06174	4.0
214.40022	0.9
225.05495	7.6
229.08531	7.1
239.06989	1.8
242.05667	3.3
253.04892	7.2
253.08632	1.2
257.07928	1.4
269.04462	4.5
270.05179	16.7
284.29263	1.0
285.07553	100.0
285.21902	1.5
285.29904	1.0
286.07806	2.3
305.57758	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0755
Annotation	Biochanin_A
Peak:m/z	Relative Intensity
68.99795	0.8
70.74992	1.3
70.75342	1.0
94.77067	0.5
97.78269	0.6
107.04941	1.0
118.04171	3.4
123.04422	4.6
124.01556	3.2
133.06522	1.4
145.06433	0.7
149.02347	3.9
152.01056	2.5
153.01833	3.6
158.03607	2.8
167.03401	1.2
170.02100	7.2
179.03419	0.8
197.05992	1.8
203.61310	0.5
213.05504	5.9
214.06194	1.6
225.05496	0.8
229.08582	7.7
241.05011	2.3
242.05717	6.9
252.04108	0.7
253.04962	5.4
255.62592	0.7
259.15585	0.5
269.04456	7.1
270.05212	9.3
285.07578	100.0
286.07962	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	285.0756
Annotation	7,2'-dihydroxy-4',5'-methylenedioxyisoflav-3-ene
Peak:m/z	Relative Intensity
50.15046	1.0
53.00280	1.6
55.01863	2.6
65.03931	2.5
67.05513	6.0
68.99782	3.4
70.71204	2.6
70.71562	1.9
74.18672	1.2
79.05471	1.3
93.03400	4.4
95.04949	5.3
107.04939	2.5
114.88816	1.1
115.94390	1.1
119.04961	2.0
121.02866	4.3
123.04427	89.7
135.04332	1.4
136.50082	0.9
137.02307	2.4
140.73988	1.2
143.93413	1.1
147.04431	7.7
148.05161	1.4
151.03902	100.0
152.04243	2.2
163.03879	4.7
175.03905	14.1
199.07533	1.6
203.65302	1.2
220.20317	1.2
227.06923	2.6
255.06532	5.3
285.07373	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0753
Annotation	Biochanin A
Peak:m/z	Relative Intensity
53.03955	0.6
55.01862	0.5
55.05497	0.8
56.96555	1.3
57.26464	0.6
63.00029	1.1
67.05489	1.9
68.11008	0.5
68.99760	0.8
69.07056	1.0
69.99910	1.3
70.00333	1.7
74.94186	0.5
79.05484	1.6
81.03377	0.9
81.07053	3.7
82.57210	0.6
83.04990	1.2
83.08599	0.7
90.92642	0.6
91.05473	1.2
91.34189	0.5
93.07039	0.9
95.08604	3.9
97.02894	1.1
98.98481	0.8
105.06995	0.6
109.75230	0.6
121.06485	0.8
121.10121	0.8
123.62759	0.5
134.03648	8.4
137.01357	1.0
137.02335	14.2
137.06030	0.6
141.07002	3.2
143.08636	0.6
145.06454	0.9
153.01828	0.7
154.53310	0.6
155.04855	1.3
157.06503	0.7
158.07161	0.7
159.10168	0.8
161.06075	0.9
165.01749	0.8
168.05716	0.8
169.06493	2.2
175.01469	0.9
175.51788	0.7
181.06532	0.6
182.07300	0.6
182.42307	0.6
183.02899	1.1
183.04382	1.1
185.05984	1.0
186.06767	2.6
196.05196	1.3
197.06017	5.2
199.14780	0.8
201.05418	1.0
213.05461	13.4
214.06232	8.3
221.09962	0.6
225.05450	13.9
225.09042	1.3
229.04886	2.1
229.08636	2.1
239.20004	1.0
242.05734	1.7
253.00832	0.6
253.04945	14.9
253.08786	0.8
257.04388	1.9
257.08133	1.0
269.04456	5.3
270.05231	30.2
271.05429	0.7
285.04071	5.1
285.07562	100.0
286.07944	3.2
303.05069	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	284.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
55.05499	1.4
56.96560	0.5
57.03421	1.3
57.07076	0.5
61.02924	4.0
63.42472	0.4
67.05499	1.9
69.07051	1.9
70.06573	0.6
70.32723	0.3
70.53905	1.1
72.08141	0.8
72.92388	0.4
74.06081	0.4
76.26579	0.4
79.05489	1.2
80.05016	1.2
81.03413	1.4
81.07042	1.7
82.06574	5.4
83.04963	1.3
83.08628	1.0
84.04531	0.9
84.08112	1.2
86.06081	1.0
91.05460	0.9
93.05762	0.5
93.07016	2.1
94.06560	1.5
95.04931	0.6
95.08591	1.6
97.06515	1.2
98.97601	0.5
100.07607	8.8
105.07021	1.0
107.04955	0.9
107.08573	1.4
108.08106	10.4
109.10145	1.6
110.09660	0.7
111.08079	2.5
112.07611	2.2
119.08558	0.7
126.09147	13.5
126.12709	0.4
133.10091	0.4
133.60742	0.4
135.11737	0.9
136.07578	2.4
136.11223	0.8
149.41183	0.4
150.12756	0.7
151.98904	0.4
152.14328	0.8
153.12711	4.3
154.08646	5.8
154.12212	3.5
159.11763	0.4
173.34184	0.4
186.11305	1.0
191.02167	0.4
204.17487	0.5
206.19141	0.9
216.17378	0.9
225.08983	0.6
229.04987	0.5
234.18483	2.9
252.19574	40.3
253.19937	0.8
257.04385	0.9
266.21207	0.7
284.22180	100.0
285.03967	1.6
285.07532	1.4
285.11227	0.8
285.22583	3.5
295.41806	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.222
Annotation	Tumonoic acid D
Peak:m/z	Relative Intensity
53.03951	0.3
55.01853	0.5
55.05514	1.9
55.82415	0.3
56.05024	0.8
57.03445	2.0
57.07072	0.5
60.42531	0.4
61.02929	2.1
67.05510	2.5
69.03426	0.5
69.07069	1.7
69.35935	3.1
72.08134	0.5
74.06090	0.7
79.05494	2.1
79.57544	0.4
80.05005	1.1
81.03413	3.9
81.07079	1.7
82.06580	6.0
83.04960	1.2
83.08611	1.4
84.04491	0.8
84.08142	0.7
85.02847	0.3
86.06059	0.6
91.05470	1.3
93.05776	1.3
93.07054	3.2
94.06554	0.9
95.04951	1.7
95.08615	2.9
96.35218	0.3
97.06515	1.3
98.20781	0.8
100.07613	18.9
100.11230	0.6
105.07031	0.6
105.46542	0.4
107.04941	0.5
107.08569	2.1
108.08121	13.9
109.06539	0.4
109.10158	1.2
111.08087	5.0
112.07602	2.0
119.08553	1.1
121.10132	0.4
121.80785	0.3
126.09158	10.3
129.06972	0.4
131.08585	0.5
133.10138	0.5
135.11678	1.2
136.07597	2.6
136.11177	0.5
147.11748	0.5
150.12807	0.4
152.14311	0.5
153.11504	0.5
153.12752	8.3
153.13979	0.7
154.08643	4.2
154.12259	4.7
157.10103	0.4
161.13283	0.4
175.11143	0.7
186.11259	0.7
193.12241	1.5
204.17519	0.7
206.19041	0.6
208.17122	0.4
211.09694	0.4
211.13284	0.6
213.34637	0.4
216.17439	0.5
234.18515	2.3
245.00775	0.4
252.19585	38.5
253.08617	0.6
253.19936	1.3
266.21146	0.6
270.05042	0.4
284.22195	100.0
285.07535	1.0
285.11243	0.4
285.22299	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	284.2219
Annotation	Tumonoic acid D
Peak:m/z	Relative Intensity
53.03935	0.8
55.01870	1.0
55.05508	4.0
56.05019	1.0
57.03433	3.8
58.61139	0.5
59.40477	0.6
61.02922	3.0
67.05511	3.5
69.03425	0.9
69.07062	3.1
70.06584	1.5
71.04992	28.8
71.58001	0.7
71.58379	1.0
72.08154	0.7
79.05476	2.2
80.05013	1.2
81.03417	3.3
81.07050	5.1
82.06577	6.3
83.04969	2.4
83.08614	2.2
84.04498	1.6
84.08139	1.2
85.02888	2.8
86.06048	0.7
91.05473	2.6
93.07042	3.7
94.06562	1.3
95.04953	1.4
95.08598	3.5
97.02923	0.6
97.06532	1.0
97.10184	0.6
98.06039	1.9
100.07609	8.8
105.07033	1.2
107.04940	0.8
107.08589	2.3
108.08113	10.2
108.08827	0.5
109.10155	1.2
110.06020	1.2
110.09668	1.2
111.08072	3.3
112.07594	2.5
112.11227	0.9
113.09641	15.7
115.35128	0.5
119.08543	1.6
120.08097	0.8
121.10122	1.2
123.08030	0.8
126.09147	13.1
131.08586	0.9
133.10118	1.2
135.11719	0.9
136.07562	2.6
136.11266	1.0
145.10056	0.8
147.11714	1.0
152.14348	1.0
153.12712	4.6
154.08629	8.5
154.12245	5.4
156.51343	0.7
157.10074	1.1
161.06036	0.9
165.06987	1.1
168.13780	1.4
186.11281	0.9
186.12906	0.8
192.17471	0.7
193.12253	1.6
206.19043	1.0
208.16937	1.0
211.13350	0.7
216.17424	1.1
225.09114	2.2
234.18547	5.0
252.19585	60.1
253.08673	2.1
253.20004	1.8
266.21146	15.0
269.04410	0.9
270.05301	1.2
284.22192	100.0
284.29166	2.3
285.03961	1.4
285.07660	2.5
285.11295	2.4
285.16922	0.6
285.22571	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	284.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.7
56.96580	0.5
57.03190	0.4
57.03436	4.0
57.07061	0.5
57.57515	0.3
58.06594	0.4
61.02926	4.1
65.03924	0.4
67.05482	1.7
69.03414	0.8
69.07052	1.9
69.82555	0.3
69.84177	0.3
70.06580	0.6
70.72243	1.1
72.08150	0.7
79.05478	0.8
80.05012	1.0
81.03422	1.5
81.07039	1.5
81.54591	0.4
82.06124	0.4
82.06577	6.2
83.04977	1.4
83.08602	0.9
84.04491	0.6
84.08138	0.6
85.02894	0.6
86.06065	0.8
91.05480	1.0
92.38399	0.3
93.05794	0.6
93.07047	1.7
94.06547	1.1
95.04980	0.8
95.08607	1.6
100.06978	0.7
100.07613	9.8
105.07026	0.6
107.08604	1.6
108.08106	8.9
109.10147	0.9
110.06025	0.4
110.09650	0.5
111.08076	2.5
112.07572	1.3
116.98628	0.3
126.09155	13.9
133.10077	0.6
135.08084	0.3
135.11684	0.7
136.07596	1.9
136.11195	0.9
141.80147	0.4
150.12788	0.6
152.14354	1.1
153.12749	4.5
153.13953	0.5
154.08617	4.7
154.12233	2.7
161.13251	0.3
162.12822	0.4
167.03397	1.1
177.00668	0.4
186.11241	1.0
193.12218	0.6
204.13914	0.5
206.19075	1.3
208.17056	0.5
211.09608	1.5
216.17523	0.6
224.20212	0.4
225.09189	0.6
234.18465	2.5
241.07278	0.4
252.19583	40.4
253.08687	0.6
253.19894	1.0
266.21255	1.1
284.22192	100.0
285.22449	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	284.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96573	7.6
57.07072	10.7
63.00038	16.5
66.04225	5.5
69.03419	9.3
69.07063	9.4
70.06580	11.0
71.01400	5.6
71.57583	7.2
71.57996	7.5
71.58366	6.7
73.02914	6.4
73.71026	5.7
81.03443	7.5
81.07072	8.2
84.08142	14.3
85.02920	12.2
86.09693	7.4
88.07652	8.1
91.05491	7.8
97.02910	12.8
98.98480	12.8
121.10053	5.9
122.07033	8.0
123.89904	7.4
129.71164	6.4
131.08540	11.2
132.22847	7.3
134.06024	7.5
136.06194	8.4
136.07487	6.6
137.05933	8.8
152.07141	8.0
159.08063	23.7
177.09065	12.6
187.07603	8.0
188.94589	6.9
193.07329	25.0
195.01784	7.4
211.08650	6.0
220.13321	14.2
222.11232	100.0
248.12756	7.0
266.13898	38.8
284.10883	15.0
284.14935	30.0
284.29526	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	284.2218
Annotation	Tumonoic acid D
Peak:m/z	Relative Intensity
52.84738	0.5
55.05505	1.7
56.05017	1.2
57.03423	0.8
57.06788	0.9
57.07074	16.3
59.85986	0.6
67.05500	5.5
69.03425	10.7
69.07071	4.1
69.63495	2.2
69.63918	2.4
70.06580	3.4
71.08628	16.9
79.05486	1.7
81.07059	9.2
82.06592	4.7
83.05038	0.6
83.08598	0.8
84.08137	7.0
85.10177	10.5
86.06054	2.1
87.04463	10.3
88.07618	2.7
91.05482	0.8
93.07021	1.0
94.06563	3.8
95.08603	8.5
97.92850	0.7
98.06084	1.1
102.09190	1.2
105.07032	0.7
107.08569	0.7
112.07600	79.0
113.07918	0.7
116.98594	0.8
123.04421	0.6
130.08633	19.8
150.09131	0.9
151.03935	0.6
155.14299	3.6
167.26880	0.6
181.38663	0.7
198.18484	5.6
219.21809	0.7
226.05801	0.8
266.21130	2.5
284.06473	1.5
284.22195	100.0
284.29321	17.0
285.07581	2.0
285.22543	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	284.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51379	0.7
54.84830	0.8
56.05025	2.0
56.96554	1.4
58.69099	0.7
63.00037	1.2
69.03412	2.0
69.88374	3.4
70.06583	6.1
71.01398	0.7
79.01817	1.0
79.05492	1.3
81.03421	1.2
81.07081	1.0
83.06089	2.8
84.04504	47.8
84.08130	1.4
85.02902	2.2
87.05839	0.6
91.05468	1.3
93.07024	1.4
94.06606	0.9
94.85334	0.7
101.07157	4.6
102.05524	1.4
105.07045	0.9
110.06004	1.0
110.09669	1.1
112.07587	3.9
123.06811	3.2
126.09154	9.8
127.03857	0.9
129.06599	9.4
130.05003	66.4
137.05977	1.0
138.09137	100.0
139.09496	1.1
140.07042	2.0
147.07645	47.6
153.01831	3.4
154.30042	0.8
155.11784	2.1
155.83842	0.7
161.05963	1.3
165.07108	1.7
165.39627	0.8
165.58144	0.7
167.07066	1.3
182.07317	1.3
183.63664	0.7
193.06461	1.2
210.06796	1.4
221.05960	1.5
221.12767	4.5
222.11206	1.0
225.09117	3.7
237.02835	0.8
253.08572	5.3
266.13840	1.6
267.13675	0.9
277.37592	0.7
284.11084	0.8
284.16052	8.4
284.29486	3.9
285.07956	1.4
285.11240	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	284.0986
Annotation	38819-10-2
Peak:m/z	Relative Intensity
56.05009	0.5
56.96557	2.3
60.71190	0.4
61.02918	0.5
67.87714	0.4
69.57670	2.6
69.58090	1.2
70.06593	0.9
70.16914	0.4
72.08153	0.7
73.02919	0.6
81.02494	0.5
81.03435	0.6
85.02911	1.7
86.09720	0.4
97.02900	1.0
98.97591	1.5
108.06583	0.5
109.05114	0.5
110.03529	1.9
110.07120	0.5
116.98598	0.9
124.07658	0.6
127.03869	0.5
128.04544	1.8
134.99657	0.7
135.03008	3.3
152.05676	100.0
153.04095	10.4
153.06068	0.5
164.07137	0.8
279.07910	0.5
284.16006	0.7
284.29337	0.6
285.14557	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0677
Annotation	calycosin(1-)
Peak:m/z	Relative Intensity
62.79431	2.7
63.00024	3.1
68.99786	3.9
69.07055	2.9
69.82954	15.0
72.08125	3.4
85.06514	2.7
91.05486	3.5
98.98464	3.1
110.06593	2.6
117.03382	3.2
129.06982	2.8
132.05669	21.4
143.04974	3.2
146.44191	2.5
185.05962	6.4
197.05940	5.0
213.05415	4.7
225.05470	6.2
226.05902	8.2
227.07159	8.0
241.04984	9.3
254.05467	5.2
255.06560	8.2
256.07281	44.4
269.04184	4.1
283.05911	6.2
284.06714	100.0
284.09927	4.9
284.29416	13.7
285.07498	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	284.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.5
54.79089	0.4
55.01862	0.8
57.03416	0.6
61.02917	0.7
66.08498	0.4
68.99793	0.6
69.03426	3.5
70.98878	1.3
71.04972	0.7
72.52395	0.4
73.02915	1.0
79.05498	0.5
81.03401	2.9
85.02899	10.8
87.00825	4.1
91.05442	0.5
97.02883	6.0
98.68098	0.4
99.04435	1.7
105.01865	5.2
107.01299	0.5
108.04459	0.9
109.02886	3.5
110.84365	0.4
117.01890	0.7
118.04107	1.0
119.04982	0.6
121.06509	1.3
123.04399	1.3
127.03901	9.5
133.06441	0.8
137.02336	6.6
140.06203	0.7
141.06987	1.0
145.04959	7.0
148.05202	0.9
152.06218	1.0
153.01802	1.7
153.06998	0.6
159.02890	3.1
159.40495	0.4
168.05766	2.3
169.06529	0.6
170.02094	9.4
171.04538	0.6
172.05153	0.6
175.03836	0.6
181.06461	0.6
183.08051	4.5
186.06731	1.3
196.05219	1.7
197.05974	1.9
201.09253	0.5
211.07513	4.0
213.03685	0.6
213.05501	5.3
214.06157	2.0
224.04684	1.2
225.05469	5.4
229.08597	9.4
231.05119	2.3
239.07054	1.9
241.05014	1.4
242.05724	3.8
252.04109	1.3
253.04878	2.6
257.08069	0.9
267.06613	0.9
269.04431	4.2
270.05209	4.5
271.99884	0.5
284.06741	0.7
284.10086	0.4
284.29465	1.3
285.07559	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2054
Annotation	8-18 bonded retinal
Peak:m/z	Relative Intensity
51.30071	1.7
53.03938	2.1
55.01864	4.3
55.05513	12.3
57.03436	4.3
57.07056	6.3
65.03924	2.0
65.13651	1.5
67.05499	20.8
69.03406	5.6
69.07063	13.4
70.65696	3.6
71.04983	5.2
71.99789	1.8
79.05495	19.2
81.07053	34.2
83.04976	7.2
83.08599	6.5
91.05474	22.5
93.07046	35.8
95.04958	15.8
95.08602	24.4
97.02889	3.2
97.06523	4.4
103.05531	2.0
105.07027	50.1
107.08594	27.2
107.90823	2.0
109.06509	8.4
109.10168	22.0
111.08067	3.3
117.07011	8.6
119.07708	2.5
119.08578	42.7
121.06516	10.1
121.10144	79.0
121.81116	1.8
123.08068	8.5
123.11696	6.8
125.05933	2.1
128.06224	3.9
129.06987	5.9
130.07776	4.2
131.08543	28.5
133.10139	27.1
135.08061	7.4
135.11693	11.8
141.06960	2.4
142.07735	7.2
143.08568	18.5
144.09331	4.3
145.06487	3.4
145.10114	37.1
146.07263	2.4
147.08049	3.4
147.11674	8.3
149.09550	2.0
149.13264	2.9
153.07016	2.4
153.12721	4.3
155.08507	3.3
156.09335	5.8
156.76044	2.1
157.10121	26.4
158.10875	6.1
159.08035	5.2
159.11679	17.1
161.09608	22.0
161.13251	4.1
163.11185	8.2
163.14774	3.0
165.06979	4.0
167.08546	5.2
169.10138	6.6
170.10922	4.0
171.11700	14.4
173.09592	7.6
173.13272	49.9
175.11183	4.5
175.14778	8.9
179.08551	6.8
181.10114	6.6
181.12227	2.6
183.11662	11.2
185.09676	4.8
185.13219	12.3
187.11168	3.5
187.14812	8.6
189.12772	2.7
191.14397	2.0
192.09242	1.8
193.10161	4.2
194.10930	5.1
194.16585	2.1
195.11685	13.9
197.13269	7.7
199.11279	4.2
199.13124	1.9
199.14780	8.8
201.12669	2.6
201.16454	4.5
203.14348	2.6
205.91698	1.9
208.12512	3.3
209.11684	2.4
209.13274	19.9
210.14162	2.2
211.14870	2.5
213.12729	6.5
213.16426	5.0
215.14244	2.0
223.14761	12.6
225.16357	7.8
227.12462	3.3
227.14314	8.3
235.14703	3.0
237.16504	2.6
241.15906	3.2
255.21086	8.9
262.16922	2.1
265.19537	26.4
267.06778	2.2
283.09778	3.5
283.15475	4.4
283.20551	100.0
284.20987	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00258	2.5
53.03936	6.4
55.01865	8.6
55.05509	19.5
57.03437	15.0
57.03659	2.7
57.07058	5.0
61.45847	2.3
63.45194	2.5
65.03941	2.6
67.05503	24.4
69.03414	3.0
69.07063	12.1
69.25295	29.8
71.04972	4.7
75.35746	2.4
79.05496	37.9
80.02708	2.6
81.03426	5.1
81.07051	27.3
83.04959	10.0
83.08612	13.7
85.02870	2.7
85.06519	3.4
89.06014	3.6
91.05490	19.6
93.07041	56.5
95.04952	16.0
95.08604	49.1
97.02894	4.8
97.06503	6.2
99.04440	3.4
105.07051	18.9
107.04945	10.9
107.08598	31.7
109.10157	5.5
111.04415	5.7
111.08107	2.6
113.54182	2.8
117.07007	16.6
119.08588	17.7
121.06496	7.2
121.10165	25.7
122.17044	2.6
125.05924	4.3
128.06152	2.9
129.06941	3.2
130.07768	3.1
131.08536	7.7
133.10143	9.2
135.08070	3.2
135.11691	54.8
137.52731	2.6
141.82484	2.6
143.08549	8.2
145.10109	36.9
147.11696	3.9
153.04503	2.7
153.12677	4.3
155.08479	5.6
156.09273	5.4
157.10135	6.2
163.11180	64.4
171.11713	2.9
179.08585	4.9
181.10849	2.5
181.12248	19.5
183.11638	7.0
185.13184	4.8
194.10913	4.1
195.11714	3.2
207.11597	2.6
209.11597	5.0
209.13249	8.4
211.14955	2.8
223.14931	3.2
227.12759	100.0
265.19504	4.6
279.91342	2.7
283.14957	18.6
283.17557	2.5
283.20349	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
54.49210	1.5
55.01863	5.0
55.05509	15.3
57.03434	17.1
57.07066	3.7
65.03925	2.1
65.51396	1.9
67.05500	29.5
69.03425	2.4
69.07078	9.7
70.11620	6.8
71.04968	3.3
71.39106	1.7
73.02901	1.6
79.05070	2.3
79.05495	42.4
79.05955	2.4
81.03388	3.5
81.07051	30.8
83.04967	6.3
83.08617	12.9
85.06556	2.4
89.06024	4.1
91.05460	9.0
93.07045	58.5
93.07629	3.1
95.04978	15.3
95.08610	46.3
96.99647	1.7
97.02872	5.1
97.06524	5.2
97.10163	2.3
99.04450	5.2
103.05412	2.3
105.07027	11.1
107.04955	18.1
107.08590	33.6
109.06495	2.6
109.10147	3.9
111.04424	3.9
117.07027	13.9
119.08575	13.4
121.06496	10.1
121.10130	17.3
125.05967	3.9
130.07751	4.2
133.10097	3.2
135.08105	3.9
135.11696	65.6
135.85564	1.6
139.07529	3.8
143.08453	1.7
145.10129	44.3
145.11261	2.7
153.12785	3.5
163.11177	91.5
173.09644	3.2
181.10774	2.0
181.12244	20.4
209.11574	2.0
227.12775	100.0
228.13156	3.3
283.15405	16.7
283.20303	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.4
55.01865	4.8
55.05506	11.6
55.67366	1.4
57.03435	14.6
57.07066	2.4
63.91582	1.4
65.03921	1.7
67.05501	23.3
69.03434	2.1
69.07070	11.1
69.40879	1.4
69.41224	13.1
71.04987	2.7
73.02885	2.7
79.05061	2.5
79.05492	35.0
81.03413	4.3
81.07053	26.3
83.04970	6.0
83.08608	9.3
85.93185	1.6
89.06002	2.5
91.05470	14.0
93.07040	56.1
93.07632	2.8
95.04951	10.5
95.08603	47.4
97.02883	5.7
97.06512	5.7
97.10143	2.0
99.04441	5.1
105.07027	11.5
107.04951	11.9
107.08585	35.5
109.06514	4.0
109.10111	3.5
111.04399	2.7
111.08034	1.7
117.07014	12.7
119.08582	14.8
121.06503	8.4
121.10143	18.6
125.05981	4.2
129.06967	1.6
130.07782	2.1
131.08580	1.6
133.10098	3.8
135.08075	2.4
135.11687	59.0
139.07545	2.7
142.06496	1.6
143.08504	2.5
145.10123	31.1
152.40741	1.4
153.12692	2.5
155.08572	2.0
163.11177	83.3
181.12224	18.8
209.11742	3.1
227.12776	100.0
228.13173	1.8
278.97748	1.5
283.15372	17.2
293.95276	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	3.7
55.01870	8.4
55.05510	17.4
57.03438	18.3
57.07060	3.2
62.48940	3.0
65.03923	3.5
67.05504	27.1
69.03424	4.0
69.07073	16.2
70.67757	10.7
71.04979	2.7
71.43181	2.6
79.05493	42.1
81.03423	5.4
81.07056	30.8
83.04977	10.3
83.08619	10.0
86.31287	2.8
91.05482	18.5
93.07046	54.0
95.04961	12.7
95.08603	55.1
97.02888	8.3
97.06554	4.4
99.04453	8.5
105.07020	13.9
107.04931	14.3
107.08592	37.3
109.06495	4.2
109.10144	5.2
111.04442	5.1
111.08128	4.4
113.33532	2.9
117.07019	13.3
119.08581	20.9
121.06504	11.0
121.10139	23.2
125.06018	3.8
130.07779	4.4
131.08578	4.2
133.10086	5.8
135.11688	64.1
135.12727	5.3
145.10121	43.3
163.11176	100.0
172.21330	3.7
181.12248	20.2
191.10561	3.1
192.08925	3.7
207.82726	3.1
209.11708	4.1
227.12779	91.5
283.15335	26.6
283.20407	3.4
298.87186	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	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.3
55.01862	7.2
55.05515	19.5
57.03442	14.3
57.07061	4.1
64.82361	2.2
67.05508	27.9
69.07056	9.2
71.04964	3.2
71.58765	2.1
73.02927	2.4
79.05493	45.1
80.47516	2.0
81.03410	5.8
81.07057	31.5
83.04977	8.1
83.08624	12.7
85.06530	2.9
89.05942	2.0
91.05472	19.9
93.07044	59.2
93.07629	3.7
95.04979	10.9
95.08607	45.5
97.02879	7.0
97.06521	4.7
99.04465	7.2
105.07031	12.1
107.04949	14.7
107.08601	42.5
109.06514	3.6
109.10155	5.4
111.04437	6.6
114.96150	3.4
117.07001	14.9
119.08564	18.3
121.06523	10.3
121.10129	20.6
125.05991	3.0
130.07825	4.5
131.08565	3.5
131.78835	2.1
133.08475	2.1
133.10126	5.3
135.08061	3.1
135.11690	60.4
135.89468	2.5
139.07527	3.0
143.08519	3.0
145.10130	41.6
145.11261	3.2
153.12711	4.1
163.11191	83.1
181.12221	17.1
209.11713	4.0
227.12787	100.0
228.13136	2.9
243.78853	2.2
283.15314	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	283.152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.0
55.05513	9.4
56.96549	1.2
57.03426	4.6
59.04985	1.1
67.05507	9.4
69.07071	9.7
69.65108	1.0
71.04982	2.7
71.10673	1.6
71.10984	1.6
79.05495	13.1
80.23919	1.2
81.03411	2.6
81.07058	17.0
83.04955	2.9
83.08617	5.9
91.05489	5.2
93.07044	16.6
95.04967	4.6
95.08608	20.5
96.08939	1.8
96.28016	1.3
97.02877	3.0
97.06532	3.1
97.10189	2.0
100.60771	1.3
105.07016	4.9
107.04941	3.7
107.08592	11.4
109.06509	1.8
109.10136	6.2
111.04443	1.9
117.07008	3.2
119.08552	5.2
121.06531	3.1
121.10130	7.6
123.11699	2.6
124.65608	1.2
131.08568	2.3
133.10181	1.7
135.11696	15.1
135.71964	1.2
145.10126	9.8
147.11661	1.4
153.12708	1.6
157.10072	1.8
159.07909	1.2
163.11180	20.9
163.71840	1.2
181.12219	5.1
191.10680	1.4
197.05983	1.2
221.06200	1.2
227.12762	22.1
227.14908	1.4
230.86037	1.3
233.11508	5.9
237.05515	1.2
255.06345	1.8
269.12335	3.9
283.06009	4.6
283.09830	4.1
283.15182	100.0
283.20404	2.7
284.06723	2.0
284.15533	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	2.4
56.96559	1.9
57.07058	0.8
67.05488	0.7
69.07080	1.2
70.30079	3.0
74.06084	2.5
79.05494	1.2
81.07056	3.2
84.04505	30.2
84.69961	0.8
85.02908	1.5
91.05475	14.0
98.97576	1.0
102.05547	1.4
107.04940	1.3
109.06540	4.0
109.07653	2.6
116.98561	0.8
119.04952	9.9
121.02851	0.8
130.05008	17.2
136.07555	3.8
137.05977	100.0
138.06340	1.5
150.07800	1.1
153.01845	5.9
154.08632	17.0
169.07681	1.4
173.59978	0.8
181.78412	0.7
182.08127	1.5
193.07608	0.8
220.09811	4.8
225.05505	1.3
237.12321	2.5
238.45241	0.8
242.03409	0.9
245.34836	0.8
260.04535	1.8
263.01126	1.1
266.10275	16.2
268.97745	1.8
283.06088	2.3
283.12878	6.9
301.06088	2.6
303.02213	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	1.3
65.03949	0.7
70.63506	1.5
71.85043	0.5
81.07011	0.7
84.04503	26.4
85.02898	1.8
91.05478	19.0
92.05782	0.6
102.05554	1.2
109.06545	0.8
117.73988	0.5
119.04930	13.4
119.05785	0.8
127.89135	0.5
130.05005	14.0
137.05972	100.0
138.06328	1.1
145.68787	0.5
151.16309	0.5
153.01830	1.3
154.07372	0.8
154.08621	15.3
214.49777	0.4
220.09641	3.9
237.12384	3.2
266.10220	14.0
267.10522	0.6
283.12891	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	283.0965
Annotation	7,2'-DIMETHOXYFLAVONE
Peak:m/z	Relative Intensity
56.96553	0.4
57.07070	0.3
67.05463	0.3
68.46095	0.3
69.07049	0.4
69.61813	1.9
69.93336	0.3
71.69920	0.3
79.05482	0.5
81.07056	0.3
85.07092	0.2
85.15305	0.2
91.05462	0.5
93.07036	0.3
95.04981	0.4
95.08585	0.3
98.20777	0.6
105.07019	0.6
107.01342	0.3
107.04916	0.3
118.04163	1.9
119.08522	0.4
121.06496	4.2
121.10139	0.4
122.03671	1.2
126.51621	0.3
132.05716	0.5
133.06453	0.7
134.99675	0.4
141.06940	0.6
145.09987	0.2
147.11772	0.3
151.03883	1.5
152.06230	0.4
153.06958	0.3
153.59209	0.3
161.05980	0.3
168.04182	4.9
168.05536	0.5
169.06491	2.0
180.05624	0.3
181.06441	1.1
183.04321	0.5
184.08801	1.4
195.07991	0.9
196.08810	1.1
197.05963	5.1
198.06683	0.6
199.59367	0.3
208.05164	1.3
209.05844	0.6
211.07532	6.2
212.08299	3.6
223.07446	0.4
225.05493	3.2
226.05989	0.3
227.07138	0.3
227.10652	8.4
227.12915	0.5
228.10991	0.3
236.04616	0.3
239.07036	3.2
240.07794	13.7
251.07030	6.8
252.07568	0.5
253.04939	1.8
267.06506	8.0
268.07288	9.5
269.07520	0.6
283.06149	5.3
283.09622	100.0
284.06952	0.4
284.09943	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0964
Annotation	3',4'-Dimethoxyflavone
Peak:m/z	Relative Intensity
53.03923	0.5
55.01869	0.8
55.05513	1.9
56.76226	0.4
56.96555	0.9
57.03424	1.5
57.07061	0.5
67.05508	2.1
68.99791	0.5
69.07056	2.0
71.04971	0.5
79.05501	2.7
81.03413	0.6
81.07071	2.7
83.01338	0.6
83.04964	1.6
83.08617	0.9
91.05472	2.0
93.07040	3.0
95.04954	1.1
95.08605	2.3
97.02877	0.5
97.06517	0.6
105.07048	1.5
107.04957	7.9
107.08575	1.9
109.06512	0.4
109.10146	1.3
111.04463	0.7
111.08101	0.7
119.08521	0.9
121.06512	6.1
121.10136	0.8
123.04459	0.5
125.09686	0.4
128.06233	0.4
128.98604	0.4
129.07016	0.6
131.04929	1.3
131.08548	0.4
135.04451	2.5
135.11673	2.3
137.05971	1.9
142.53687	0.4
145.06439	0.9
145.10101	2.0
146.03603	0.5
147.04408	10.8
149.05972	2.6
153.07126	0.4
153.12730	0.9
159.11621	0.5
160.05209	1.1
161.05981	5.9
163.11197	2.5
165.07077	0.5
167.08493	0.5
168.08612	0.4
169.06444	0.4
173.09642	0.7
174.06729	2.1
181.12277	0.5
185.05678	0.4
195.08128	0.6
196.62424	0.4
197.05984	0.9
209.11617	0.7
211.07564	0.9
212.08249	0.6
222.06721	0.5
223.07487	0.8
224.04697	0.5
225.05478	10.2
226.05931	0.4
227.12752	1.4
237.05452	1.1
240.07796	1.7
247.36992	0.4
250.06282	0.5
251.07025	0.9
252.04176	4.8
253.04918	1.9
255.06496	0.5
257.10574	1.8
267.06534	63.3
268.07285	12.7
269.07907	0.6
269.10666	1.5
275.11667	1.2
283.09659	100.0
284.09998	2.8
287.11731	2.2
301.13312	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0598
Annotation	3-Hydroxy-8,9-methylenedioxypterocarpene
Peak:m/z	Relative Intensity
70.13263	1.8
89.03922	2.4
98.20744	0.6
115.05488	0.9
129.06993	0.7
141.06979	8.8
153.06967	0.8
155.04895	1.9
157.06476	0.7
169.06490	6.2
181.06438	1.5
183.04431	4.1
197.05978	13.7
224.04716	1.5
225.05460	49.6
226.05869	1.0
227.07004	2.8
253.04955	38.4
255.06479	0.8
283.06006	100.0
284.06390	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	283.0597
Annotation	3-Hydroxy-8,9-methylenedioxypterocarpene
Peak:m/z	Relative Intensity
55.01847	0.5
55.05495	0.4
56.97578	0.3
57.03425	0.5
67.05509	2.5
67.09116	0.3
68.99781	0.7
69.03416	0.5
69.07044	1.1
69.66153	2.6
72.79221	0.4
79.05465	1.1
81.07046	1.4
83.04987	0.3
83.08617	0.4
85.06519	0.7
89.03891	2.3
89.06019	0.4
91.05485	1.1
93.07058	2.3
93.12712	0.4
95.01346	0.4
95.04967	3.0
95.08554	0.5
105.07072	0.9
107.04930	0.7
107.08572	1.2
109.06458	0.6
109.10143	0.6
115.05437	2.0
119.08603	0.7
121.02839	0.6
121.06505	0.5
121.10148	1.9
128.06172	0.6
129.06992	1.3
135.11653	0.7
137.02327	0.5
137.05956	0.5
141.06978	7.9
145.10089	0.9
149.09552	0.5
151.03896	0.5
152.06178	0.8
153.06941	0.9
155.04886	1.7
157.06488	0.9
163.11246	2.0
168.05780	0.6
169.06497	6.0
169.08623	0.7
181.06477	1.6
181.12257	0.9
183.04385	3.5
197.05968	12.4
199.07571	0.3
200.04654	0.4
209.06000	0.5
224.04654	1.2
225.05461	48.9
226.05753	0.8
227.07048	3.4
227.12816	0.7
228.04166	1.0
237.05476	0.5
240.04149	0.5
253.04959	36.6
254.05220	0.4
255.06494	0.5
283.06006	100.0
283.14981	2.4
284.06296	1.8
287.62561	0.5
301.05777	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65865	0.5
53.03922	0.5
53.84402	0.6
55.05483	1.5
56.05025	0.5
67.05478	1.8
68.05000	0.9
69.07047	0.8
69.73122	3.4
70.06582	0.7
71.04971	1.0
79.05499	2.9
80.05012	3.3
81.07056	3.1
82.06554	2.0
84.08144	0.6
86.06020	0.8
87.04467	17.4
91.05461	1.2
93.07035	3.8
94.06548	2.1
95.07329	0.5
95.08586	1.5
96.08114	0.7
97.06518	0.7
98.06046	1.2
105.06998	1.0
107.08571	1.8
108.08099	2.9
109.08857	0.7
109.58327	0.5
110.09656	2.2
116.07082	0.6
120.08052	1.0
121.10165	0.6
122.06023	0.5
122.09664	2.8
123.10448	0.5
124.11207	1.0
134.09619	0.8
135.11697	3.2
136.08444	1.0
136.11192	1.4
145.10133	0.5
146.09607	0.5
150.12772	3.4
152.13165	1.0
152.14345	16.3
152.15561	1.0
163.11180	0.7
166.07355	0.8
166.08632	3.2
178.12332	0.8
180.10210	1.4
181.10968	1.2
184.09682	0.7
194.11795	3.3
204.17517	2.4
208.13341	4.7
209.14027	1.0
210.14867	0.7
213.22946	0.5
222.18523	0.6
227.12762	0.7
232.16946	1.8
236.16501	0.4
238.18008	100.0
239.18323	2.2
240.19412	0.5
250.17986	5.1
252.19618	1.4
282.20630	84.4
283.20990	2.5
292.16086	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.7
55.01860	7.0
56.96549	12.4
57.03434	6.1
57.07070	4.7
59.88704	2.8
61.02910	13.1
64.38191	2.9
68.98560	4.1
69.03426	21.1
69.07066	6.6
71.04988	6.1
71.09508	7.0
73.02909	6.5
81.03404	9.6
81.07053	4.3
84.04486	4.0
85.02901	100.0
85.06546	16.5
87.04442	8.3
91.03957	7.7
91.05807	4.8
92.05775	4.0
97.02879	23.6
98.06105	3.4
98.97570	5.5
99.04379	5.7
101.02369	3.2
109.02841	9.2
110.06049	4.2
116.98637	4.9
120.08103	3.8
121.06412	3.6
127.03932	26.9
136.06160	25.7
137.05908	4.7
145.04953	50.5
150.07721	4.8
152.07095	4.2
153.01819	19.9
163.06006	10.6
168.06543	3.7
168.67760	3.7
172.08287	3.2
173.98550	4.0
177.07780	7.4
181.99007	9.9
191.08531	6.9
193.03180	11.4
200.00047	11.2
203.99512	4.6
206.11749	27.8
219.07956	4.6
224.00005	5.0
229.10776	3.7
235.07506	3.5
237.02802	4.5
241.01447	11.4
242.01082	58.7
251.10707	4.7
259.02481	6.9
260.02148	31.0
278.03140	4.4
282.14948	4.6
282.22046	7.8
283.03644	5.9
284.03146	10.2
300.06244	24.0
301.06451	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24563	2.4
52.96195	2.4
54.51579	2.0
55.01858	3.1
55.03533	2.4
55.05505	3.4
56.96564	5.4
57.03421	10.8
57.07051	5.3
67.05500	5.7
69.03425	18.2
69.07056	6.2
70.37126	10.3
71.05000	3.7
79.05457	4.2
81.03412	10.9
84.08143	13.8
85.02892	17.5
85.06545	25.4
91.05437	3.2
93.07043	5.4
97.02889	51.2
97.06503	3.0
98.97568	4.3
99.04438	15.0
101.06031	2.3
103.07562	6.8
107.04887	2.9
109.02876	11.8
109.10131	3.7
112.07597	2.5
121.08408	4.9
125.61557	2.5
127.03928	5.7
134.09618	3.2
136.06221	13.5
136.07518	2.2
137.09512	3.8
140.07100	3.6
145.04982	14.6
153.01826	24.3
153.09071	4.4
159.06566	2.3
168.06578	2.4
169.04933	3.6
170.18332	2.7
173.77557	2.3
177.07831	20.9
181.07079	4.7
181.08601	76.7
191.08565	3.6
206.11760	100.0
211.09633	23.1
211.26395	2.4
229.10672	11.2
237.02672	3.3
251.10580	3.5
263.00821	5.7
264.15918	4.0
265.12103	2.7
267.99936	3.5
282.09784	5.8
282.17133	5.5
282.22113	6.3
284.03091	2.9
285.00644	3.4
300.06201	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	282.1196
Annotation	2'-O-Methyladenosine
Peak:m/z	Relative Intensity
55.01863	0.3
56.05010	0.2
56.96555	1.0
57.03413	0.5
59.04994	0.8
69.03430	2.4
70.06585	0.4
70.39090	1.0
84.04504	0.6
84.08146	0.5
85.02868	0.3
87.04459	0.9
91.05385	0.3
92.79002	0.2
94.04035	0.9
97.02888	0.9
98.97602	0.4
101.06014	1.4
107.04920	0.3
110.07104	0.3
111.78741	0.2
119.03541	1.1
120.08105	1.1
123.07903	1.2
124.08282	0.8
134.09674	0.3
134.99638	0.2
136.06183	100.0
137.04587	1.3
137.05695	0.4
137.06671	0.3
145.34377	0.2
146.56108	0.3
147.06531	0.5
148.83348	0.2
151.03952	0.3
153.01836	1.4
153.02893	0.3
174.73936	0.3
191.08575	0.4
195.98761	0.2
219.08084	0.5
250.09969	0.2
251.10680	0.4
263.00760	0.3
267.99869	0.5
282.12012	2.5
282.22321	0.5
284.03119	0.6
285.00690	0.3
300.06171	1.6
301.05957	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.5
55.46892	0.6
69.27506	5.2
69.27924	1.5
70.02936	1.2
71.01348	2.8
79.05488	1.7
80.01347	0.8
89.02386	1.4
91.05479	3.3
93.07044	3.8
95.04977	0.7
98.02431	3.2
103.05474	15.2
104.04984	0.8
105.07021	0.7
107.04943	1.9
107.08595	1.1
115.05444	0.7
117.07009	1.2
118.06559	0.7
119.04942	2.3
120.08107	100.0
121.08431	2.1
121.10175	0.6
128.06250	1.4
129.07013	3.7
130.06561	1.3
131.04939	3.4
134.04565	0.7
144.08134	3.7
145.06490	2.2
146.06020	1.7
148.07567	1.7
149.09659	3.0
152.12564	0.6
154.06506	2.4
155.54852	0.6
156.08151	0.8
157.06506	7.2
166.08630	3.6
172.07585	12.0
173.06021	1.5
182.06009	6.2
190.08630	12.1
200.07071	22.1
201.05537	1.6
218.08124	37.0
219.08229	0.9
228.06508	1.0
236.09184	19.2
246.07629	6.5
264.08682	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	282.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27518	0.4
55.01862	1.5
64.63874	0.5
69.83609	2.9
70.02928	1.1
71.01342	1.9
76.47329	0.4
79.05490	1.7
80.01379	0.4
80.64552	0.5
81.07086	0.5
86.94957	0.4
89.02388	1.8
91.05470	3.5
93.07049	3.7
98.02423	2.5
103.05467	14.2
104.04994	1.2
107.04936	2.3
115.05452	0.4
117.07049	1.1
118.06566	0.6
119.04913	2.4
120.08102	100.0
121.08438	1.7
121.09280	0.4
121.10135	1.0
121.36555	0.5
128.06267	0.6
129.07007	3.5
130.06499	2.1
131.04941	3.3
134.04518	0.4
144.08086	3.5
145.06471	2.3
146.05991	1.4
148.07579	1.6
149.05995	1.0
149.09558	2.0
154.06519	3.1
157.06479	5.5
158.06015	0.6
166.08691	2.8
171.04379	0.6
172.07576	12.0
173.05995	1.8
177.71910	0.4
182.06021	7.4
182.07649	0.5
190.08618	11.3
190.10266	0.8
200.07066	18.6
201.05486	2.4
201.07214	0.7
214.42867	0.4
216.53389	0.5
218.08118	29.3
219.08348	1.0
220.31778	0.4
228.06610	0.8
236.09174	15.8
237.09489	0.5
246.07582	5.9
264.08646	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2837
Annotation	6,10,14-Trimethyl-2-methylenepentadecanal
Peak:m/z	Relative Intensity
53.03934	1.4
55.01866	2.5
55.05508	15.7
56.96546	1.3
57.03438	16.1
57.07074	77.3
59.04988	2.0
61.02700	1.0
61.02929	11.7
63.51533	1.0
65.03954	1.0
67.05502	16.7
67.97655	1.1
68.05825	1.3
69.03082	2.0
69.03429	28.8
69.07067	32.7
70.03751	1.1
71.04988	2.8
71.08630	100.0
71.58309	0.9
71.58769	1.6
71.59135	1.3
73.02923	2.0
79.05485	8.7
81.03407	4.9
81.07053	29.4
82.07375	1.2
83.04981	12.0
83.08622	17.1
85.02901	13.3
85.06538	1.4
85.10178	1.4
87.04445	2.8
87.08086	1.9
91.03968	5.9
91.05455	9.1
93.07024	4.8
95.04966	1.9
95.08601	43.5
96.08924	2.0
97.10157	7.4
98.97550	1.5
99.04433	2.6
103.03922	2.0
105.06993	7.7
107.08594	50.9
108.08927	2.2
109.06510	3.9
109.10157	13.8
111.04420	5.8
111.11725	5.2
113.13284	6.5
116.98641	1.5
119.06080	1.5
119.08567	9.3
121.10185	1.3
123.11694	12.9
125.13262	2.4
129.05484	6.5
133.10094	1.2
135.08051	49.3
136.08350	2.8
137.13261	7.9
141.12767	4.0
147.06517	3.2
151.14821	5.3
165.16418	1.2
169.15979	2.7
171.11647	1.5
191.08589	1.6
197.19189	1.2
207.21097	1.5
211.20563	1.4
219.08047	1.2
223.39890	1.1
225.22093	1.2
263.27292	3.6
266.99902	2.3
281.28659	40.1
283.03085	2.0
299.06058	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	281.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	11.5
55.01868	6.4
55.05515	31.9
57.03437	26.2
59.11802	2.1
63.52074	2.1
65.03945	5.5
67.05505	81.1
69.03419	2.9
69.07069	15.4
69.07421	1.8
70.84769	6.6
71.04986	4.1
79.05492	94.3
80.05834	4.5
80.36162	2.1
81.03405	12.9
81.07055	64.4
83.04976	34.0
83.08632	8.6
91.05474	59.8
93.06468	5.3
93.07039	62.9
95.04983	30.0
95.08611	36.4
97.02891	3.0
97.06537	4.8
97.10189	5.7
103.05476	4.3
105.07031	100.0
106.07366	32.8
107.04951	9.8
107.08591	17.8
109.06526	8.5
109.10165	8.6
113.69075	2.4
115.45721	2.5
117.07005	6.1
119.08585	25.4
121.06448	2.9
121.10151	4.3
123.08080	3.5
128.06190	3.7
129.07010	19.7
131.08609	5.5
133.06422	2.6
133.10106	13.5
135.11682	2.5
143.08598	9.5
145.10130	13.7
147.08054	3.2
147.11685	33.5
161.09633	4.9
161.13249	10.7
171.11696	28.0
177.14763	3.2
189.12770	8.8
207.13826	6.2
239.29349	2.2
272.90082	2.5
281.17572	21.5
281.20947	56.6
302.80981	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1748
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03955	11.1
55.01866	6.4
55.05267	2.2
55.05513	33.2
55.62754	1.4
57.03440	29.2
64.07738	1.4
65.03935	3.3
67.05506	91.7
69.03435	3.3
69.07072	18.4
69.80712	1.6
70.63349	4.9
71.05004	3.7
73.06567	3.7
79.05495	100.0
79.37333	1.5
81.03418	16.9
81.07059	69.8
83.04984	36.5
83.08605	7.4
85.06532	5.5
91.05486	75.2
93.07043	72.7
94.47308	1.4
95.04973	31.6
95.08611	42.5
97.02904	1.4
97.06524	6.0
97.10159	5.3
101.06036	1.5
103.05444	1.9
105.04568	1.9
105.07037	57.1
107.04945	10.1
107.08598	20.7
109.06509	9.7
109.10182	7.2
111.08067	2.2
117.07023	9.0
119.08585	31.4
121.06509	2.9
121.10155	6.9
123.08040	7.3
127.07548	2.3
128.06227	1.8
129.07002	19.9
131.08589	3.0
133.10152	14.7
135.11674	3.9
143.08617	8.1
145.10132	11.8
147.08035	2.5
147.11685	36.4
161.09703	2.0
161.13275	15.5
171.11682	25.2
179.14368	1.9
189.12679	9.3
207.13788	11.6
281.17508	24.1
283.73853	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.7
55.01864	5.1
55.05510	31.2
57.03436	24.4
57.07058	3.1
65.02795	2.4
65.03937	3.6
65.70103	2.3
67.05501	77.6
69.03419	2.7
69.07060	16.5
70.83987	4.8
70.84346	5.9
71.04971	3.2
79.05492	100.0
79.50626	2.3
81.03431	13.2
81.03847	2.3
81.07055	65.4
83.04977	32.4
83.08605	8.6
85.06509	3.5
91.05483	61.9
93.07040	65.8
95.04967	28.8
95.08603	38.8
97.02884	4.3
97.06489	5.7
97.10175	5.2
98.97587	3.0
103.05485	4.5
105.07024	43.9
107.04951	13.1
107.08602	21.1
109.06509	9.1
109.10131	9.7
113.09620	2.6
117.06978	7.8
119.08562	30.4
121.06506	3.5
121.10129	5.3
123.08054	5.4
129.07011	17.9
131.08549	3.0
133.10089	14.7
135.11661	3.5
137.13184	2.4
143.08540	9.6
145.10095	10.8
147.08040	3.9
147.11688	33.4
161.09583	5.1
161.13252	11.1
165.06955	2.6
171.11664	21.5
189.12724	8.4
207.13863	7.7
218.48247	2.6
281.17511	18.3
299.06107	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	281.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.4
53.03946	9.2
55.01858	5.2
55.05509	34.9
56.96555	4.9
57.03434	26.0
57.07058	2.1
65.03928	5.0
67.05502	82.7
69.03427	4.2
69.07064	20.3
69.67833	4.6
69.68242	2.7
71.04988	4.5
73.06578	1.8
77.03189	1.1
77.03918	1.3
79.05489	100.0
81.03410	14.4
81.07053	74.2
82.82513	1.4
83.04979	35.3
83.08630	9.7
85.02898	2.2
85.06528	4.0
91.05475	68.9
93.07042	68.5
93.07552	1.0
95.04965	29.5
95.08606	44.4
97.02900	1.6
97.06503	5.7
97.10169	6.4
98.20720	1.5
98.97566	1.7
99.08101	2.2
103.05495	1.9
105.04487	1.4
105.07028	48.9
107.04937	8.4
107.08589	22.2
109.06512	10.4
109.10143	10.6
111.08068	2.3
115.05454	1.6
116.98636	2.5
117.06998	10.3
119.08584	32.2
121.06503	2.6
121.10132	8.6
123.08059	8.4
123.11720	2.1
125.09551	1.3
127.07532	2.1
128.06206	4.3
129.06998	16.2
131.08565	3.6
133.06520	1.7
133.10129	11.6
134.99669	2.3
135.08047	1.6
135.11674	4.2
137.13242	4.7
141.09164	1.3
143.08524	10.4
145.10114	8.4
147.08008	2.9
147.11684	37.0
147.12787	2.1
159.11659	2.1
161.09618	3.4
161.13246	16.9
163.11214	1.5
171.11681	25.4
179.14256	1.4
189.12775	10.2
191.11853	2.5
200.12440	2.2
207.13786	9.1
209.12973	1.7
263.23724	1.4
267.00116	1.7
281.17447	24.2
283.03064	2.5
299.06158	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	281.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	2.3
53.03942	9.1
55.01871	6.4
55.05262	3.1
55.05512	41.4
55.17747	1.9
56.96567	9.5
57.03438	24.8
57.07059	4.8
58.88729	2.1
61.17164	2.1
65.03939	4.5
67.05504	92.3
67.08727	2.0
68.05830	1.7
69.03432	3.8
69.07071	26.6
70.50219	8.2
72.08150	9.0
79.05492	100.0
81.03433	14.7
81.06581	3.9
81.07057	78.5
81.07526	4.7
83.04984	30.5
83.08623	8.4
85.02912	4.1
85.06549	3.5
89.40070	2.4
91.05480	73.7
93.07040	70.1
95.04974	30.8
95.08604	49.3
97.06546	5.9
97.10168	7.4
98.97588	13.3
103.05474	3.5
105.07026	47.0
105.07681	3.5
107.04922	10.0
107.08594	26.2
109.06533	8.3
109.10144	15.5
112.33059	1.9
114.80625	2.1
116.98651	10.0
117.07025	9.1
119.08581	33.1
121.06526	4.9
121.10153	4.9
123.08080	7.8
123.11739	6.0
127.07526	2.5
128.06229	2.4
129.07001	17.6
131.08568	3.0
133.10126	15.4
134.99648	5.7
135.11723	4.3
137.13266	7.9
143.08577	8.7
145.10139	11.3
147.08072	3.4
147.11696	35.4
158.99712	4.5
161.09590	5.7
161.13243	16.6
171.11690	28.7
171.13103	2.5
177.00681	5.1
185.11940	2.9
189.12723	10.0
207.13785	8.2
224.48843	2.0
232.99382	2.0
241.74101	2.2
257.14041	2.8
266.14767	2.4
271.63922	2.7
272.14569	13.7
272.64777	2.6
281.15002	3.0
281.17508	24.0
281.22220	3.8
299.06085	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	281.1747
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03947	10.0
55.01863	4.7
55.05512	37.2
57.03434	29.5
64.50552	2.5
65.03936	5.8
67.05504	85.7
69.03418	3.0
69.07074	18.3
69.77356	11.7
71.04998	3.1
73.06573	3.5
79.05495	100.0
80.05826	2.9
81.03428	16.1
81.07055	66.6
81.33859	3.0
82.43227	2.7
83.04977	34.4
83.08622	6.9
85.06554	3.0
91.05482	71.6
93.07044	66.7
95.04971	36.6
95.08607	41.6
97.06514	4.0
97.10146	2.8
105.04527	3.4
105.06385	4.3
107.04985	10.9
107.08597	24.1
109.06514	6.5
109.10149	7.7
117.07012	11.4
119.08581	33.2
121.10139	7.1
123.08057	7.5
128.06219	3.1
129.06992	13.4
133.10126	13.5
143.08574	9.5
145.10149	9.5
147.08031	3.6
147.11691	34.6
161.09639	6.6
161.13271	14.3
171.11681	29.7
179.14462	3.1
183.67659	2.4
189.12791	7.7
189.22388	2.5
203.18451	2.8
207.13853	10.4
231.02718	2.6
281.17499	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	281.1745
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03934	10.8
55.01865	6.5
55.05266	3.3
55.05512	43.2
57.03434	35.0
57.07076	20.0
62.41344	1.8
65.03935	6.2
66.94920	2.2
67.05503	91.3
69.07065	27.8
71.05003	4.2
71.08624	19.6
71.32639	5.0
73.06554	2.4
78.53973	1.9
79.05490	100.0
81.03419	14.4
81.07056	87.6
83.04980	29.6
83.08627	14.8
85.06520	3.9
91.05472	73.6
93.07044	76.7
95.04964	37.9
95.08608	51.3
95.09161	1.7
97.06520	8.5
97.10178	6.8
103.05392	2.3
105.04526	3.2
105.07027	52.4
107.04948	8.6
107.08595	22.9
109.06516	9.6
109.10140	11.7
111.08125	2.0
117.07020	7.7
119.08576	34.5
121.06496	4.5
121.10135	5.0
122.67417	2.4
123.08078	9.1
123.11691	2.8
127.07506	3.1
128.06273	3.9
129.07004	19.7
131.08592	3.6
133.10124	15.4
135.11687	4.4
137.13344	2.2
143.08562	10.8
145.10123	13.2
147.08017	4.1
147.10526	2.1
147.11684	40.9
161.09692	5.3
161.13300	14.6
163.11279	3.0
171.11679	26.5
189.12703	9.7
207.13823	11.2
266.99884	3.3
281.17426	33.0
281.28452	8.5
283.02802	2.3
299.05942	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	281.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69971	0.4
56.05030	1.1
57.07082	0.5
67.05499	0.4
69.03445	0.4
69.07068	0.5
69.92326	2.1
70.06592	0.6
73.04745	0.9
74.06079	2.1
79.05468	0.4
81.07063	0.6
85.02895	0.5
88.03989	1.6
91.05801	1.3
93.06995	0.5
93.33447	0.4
94.04022	0.7
95.08613	0.7
97.02858	0.6
98.20802	0.4
102.05537	1.3
103.05463	1.0
107.04914	0.5
115.87474	0.4
119.03548	6.2
120.06602	6.8
120.08089	10.2
122.07159	0.5
123.07937	2.3
130.06537	0.7
131.04947	0.7
136.06180	100.0
137.04599	5.0
137.06514	0.9
142.09451	0.5
144.08076	0.4
144.80070	0.4
147.04405	0.6
148.07632	0.5
162.04112	56.0
166.08664	3.1
169.81538	0.4
172.07565	0.5
175.08653	0.9
181.08585	0.7
200.07111	1.9
206.11737	1.1
217.13438	0.4
223.02788	0.5
235.10800	1.5
245.12930	0.6
246.07652	1.0
263.13968	0.5
266.99948	3.4
281.09998	5.7
281.14819	0.6
283.03088	3.1
299.06165	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	281.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58252	5.7
55.01867	8.7
55.05516	14.2
57.03432	6.2
57.07065	8.9
60.93163	4.9
67.05505	15.8
68.76275	4.3
69.03435	18.0
69.07082	8.1
69.23957	4.4
71.04988	9.1
71.17648	12.8
79.05476	14.6
81.07066	23.6
83.04979	13.8
83.08619	5.4
84.04523	4.8
85.02911	9.7
85.06595	6.4
86.09716	7.0
87.03235	5.3
91.05424	27.0
93.07060	17.3
95.04987	14.7
95.08592	14.5
97.02888	12.8
97.06522	5.7
99.04475	6.5
103.05531	5.5
105.07053	27.7
106.06539	5.3
107.04972	10.2
107.08580	12.9
109.06535	12.0
109.10190	5.3
111.24015	4.5
115.05462	7.5
117.07016	14.8
119.04964	19.2
119.08602	18.4
120.05308	15.6
120.08099	8.3
121.06490	13.4
121.10189	11.1
123.08050	7.1
123.11794	6.2
124.07624	6.1
125.06047	5.6
127.03899	9.6
131.05048	5.5
131.08583	8.1
133.06479	9.7
133.10127	11.1
134.06049	16.0
134.08133	13.3
135.08463	9.8
137.05983	8.8
143.08566	7.3
145.06436	7.1
145.10132	6.6
147.04417	46.4
147.08113	7.2
147.09146	25.2
147.11661	8.6
148.04753	69.8
148.07504	5.1
149.09651	8.6
153.01880	6.3
157.10220	6.9
159.08084	7.7
161.09613	5.6
162.05458	6.9
163.07567	8.8
163.11186	26.6
166.07214	11.0
167.10707	8.0
175.11339	5.3
176.07059	7.2
177.05524	6.1
181.04898	9.2
190.08519	6.9
221.09575	5.0
235.10779	6.2
263.09253	5.2
263.16501	15.0
266.99945	17.6
281.11310	100.0
281.14902	24.8
281.17822	10.1
282.15591	6.2
283.03104	10.3
297.99091	4.9
299.06107	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	280.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	0.7
57.03417	0.5
67.05463	0.4
69.76582	0.7
69.76995	2.5
75.31908	0.3
79.01873	0.4
81.03384	0.5
82.43357	0.4
85.02876	0.6
86.09698	1.1
88.07606	0.7
91.05476	10.1
98.20797	0.5
100.69884	0.4
103.03936	2.2
116.07093	0.8
116.98595	0.4
117.07864	0.4
119.04939	26.2
134.07071	0.6
134.08121	18.3
147.04407	100.0
148.04724	1.2
149.02274	0.6
150.02646	0.6
153.01837	2.7
154.02165	0.5
166.08714	0.5
173.19247	0.5
210.07576	0.4
234.11227	0.6
280.11768	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28863	0.3
53.03930	1.1
53.22136	0.3
55.05500	0.9
57.03442	0.5
57.07079	0.5
62.20735	0.3
64.33138	0.3
67.05500	2.4
69.07062	0.9
70.03741	1.0
70.04131	0.8
76.95948	0.3
79.05490	10.8
81.03389	0.5
81.07047	1.4
83.04965	0.8
84.00019	0.3
91.05473	1.5
93.07056	2.0
95.04967	2.9
95.08593	1.3
100.30326	0.4
103.05463	6.3
105.07027	100.0
106.07375	0.9
107.08580	0.6
110.13793	0.4
117.07013	0.5
118.06526	1.4
119.08567	0.7
124.10997	0.3
129.06982	0.5
132.08148	0.7
133.08917	0.3
134.33565	0.4
145.10126	0.6
146.09691	0.6
147.11681	0.6
149.02344	1.3
150.02626	1.1
152.93240	0.4
168.15442	0.4
176.14342	6.1
191.08487	0.5
280.20593	82.4
281.17999	0.5
281.20883	2.5
283.03159	0.4
299.06293	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03414	0.4
65.03937	0.6
71.13345	0.9
71.57589	0.3
85.02906	0.8
88.07637	1.2
91.05479	11.7
98.06063	0.3
98.42602	0.3
98.97565	0.3
103.03944	2.8
115.76518	0.3
116.07084	0.7
119.04943	30.1
120.01077	0.5
134.08130	22.5
137.05965	0.4
146.32449	0.4
147.04410	100.0
148.04726	1.5
149.02338	0.8
150.02721	0.5
153.01945	0.3
159.77226	0.3
234.11263	0.7
236.15872	0.3
242.92424	0.4
280.11819	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.0817
Annotation	N-(E-4-coumaroyl)-aspartate
Peak:m/z	Relative Intensity
55.05503	1.3
55.93529	1.0
56.96555	0.8
63.72248	0.6
63.85622	0.6
65.03922	0.8
65.92722	0.6
67.05498	0.7
68.81565	0.6
69.07080	0.6
70.06579	1.5
70.80035	2.0
71.94052	0.7
72.08176	0.8
76.14227	0.6
79.05481	0.6
83.08592	1.5
84.08144	1.4
86.09712	1.5
88.03990	0.7
88.70026	0.6
89.73360	0.7
91.05471	12.9
95.04981	0.7
95.08591	0.7
116.01669	1.3
117.01963	1.0
118.62749	0.6
119.04945	27.9
120.08085	0.8
129.10158	0.8
132.08081	2.3
147.04411	100.0
148.04752	1.0
148.43439	0.7
149.02350	2.8
150.02687	3.1
153.01828	0.9
154.02138	1.0
162.02182	2.2
163.02565	1.8
216.18201	0.6
225.95534	0.8
242.95952	0.8
243.96146	1.1
263.11368	1.0
274.98038	1.7
280.11963	1.0
283.03067	0.8
290.73029	0.8
297.99808	1.0
299.06100	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.9822
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	4.3
57.03443	1.9
61.02935	9.1
67.05504	1.5
71.57551	2.0
77.00883	1.5
81.03410	4.0
85.02918	1.8
98.97588	2.2
101.00909	1.9
107.08471	1.1
109.17526	1.4
116.98656	4.2
119.01923	26.3
120.02028	6.8
121.01694	2.5
122.47447	1.1
131.01909	4.9
132.02029	1.8
133.03474	2.8
134.99715	6.2
137.02982	14.8
138.03081	2.5
139.02719	1.6
142.03479	6.4
143.03630	9.5
145.34206	1.1
145.98694	1.9
146.03528	1.4
146.09460	1.3
149.01167	1.4
149.02299	2.0
150.43729	1.1
153.00851	2.7
155.01366	1.6
158.99739	3.8
160.04582	3.5
161.03044	1.6
161.04631	2.8
161.49701	1.6
163.04433	1.2
164.99432	3.8
166.97795	1.2
168.00253	1.7
168.50497	2.5
174.00719	2.0
174.98506	1.7
176.99525	2.4
177.00954	48.4
177.98415	1.4
178.01064	4.0
178.99341	2.1
179.49362	1.8
181.00345	1.7
182.99770	1.7
183.03267	1.6
186.00047	6.1
186.98195	1.6
187.98047	2.0
189.00983	1.9
190.99236	2.0
191.02481	2.2
197.00615	1.9
198.00056	2.2
199.00591	1.9
200.50021	1.6
201.00995	5.4
201.04210	3.0
203.02533	5.6
205.00668	2.1
208.48866	1.6
208.98701	1.6
210.00075	3.0
214.96613	14.0
215.01657	4.8
217.98830	1.7
218.00778	2.1
218.03645	4.1
219.02025	100.0
220.02267	2.1
221.02127	1.4
223.00627	1.5
225.00288	2.9
226.00162	1.7
228.00984	2.4
228.98613	1.8
229.48872	2.1
229.98706	3.9
232.96646	6.0
233.03638	4.5
235.00571	1.6
235.99953	1.9
236.97874	2.1
237.01532	4.1
237.03760	2.4
237.51755	1.7
238.95802	2.7
241.99306	1.4
242.03633	4.3
244.98560	1.8
247.01419	3.4
248.02109	1.5
249.48338	1.6
249.99295	2.2
255.01312	1.5
255.97821	1.5
256.96860	63.2
257.96918	2.2
258.02972	1.6
258.96448	1.9
259.49106	1.4
261.97107	2.1
264.98315	3.1
265.48215	2.6
265.98056	1.6
266.61563	1.3
267.98065	1.8
272.95154	2.6
273.95462	1.3
273.98535	1.5
274.48615	1.4
274.94705	2.1
274.97717	38.5
275.01086	6.0
275.04495	22.5
275.97845	1.8
276.99442	4.8
277.49475	2.0
279.98215	28.1
280.98154	1.9
286.49240	2.2
286.98581	2.3
290.95483	3.0
291.95810	1.7
292.95380	5.0
293.02072	2.8
297.99335	7.7
298.18591	3.3
298.98489	11.8
303.00079	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	279.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.6
55.01862	3.1
55.05509	27.9
56.24445	1.2
56.41928	1.2
56.96566	3.5
57.06823	2.0
57.07077	21.7
59.05001	17.3
62.31218	1.3
63.51822	1.3
65.03928	1.9
67.05505	17.6
69.03426	5.6
69.07069	100.0
69.88920	4.5
69.89323	2.9
71.04987	3.6
71.08625	4.6
79.05494	9.9
80.82281	1.4
81.07059	44.2
83.04989	2.0
83.08141	2.5
83.08616	36.6
85.06529	2.6
91.05476	5.1
93.06484	1.5
93.07047	23.1
95.04958	2.6
95.08607	46.9
96.93797	1.6
97.06541	8.0
97.10137	10.1
98.97591	1.6
99.08061	2.4
105.07009	4.5
106.28471	1.3
107.08585	18.3
109.10153	32.5
110.22282	1.4
111.08096	5.2
111.11720	12.7
116.98656	1.9
119.08580	3.4
120.94812	1.3
121.02867	2.9
121.10138	16.5
123.08086	1.4
123.11701	16.4
125.09644	2.5
125.13255	1.9
131.08566	2.3
133.06610	1.4
133.10139	2.6
135.11700	13.0
137.13246	8.8
139.11183	4.2
145.10081	1.8
147.11703	2.2
149.02342	58.2
149.09587	1.6
149.13261	15.7
150.02728	3.3
153.12752	2.3
157.10217	1.3
157.45404	1.5
159.11790	1.5
161.06128	1.9
163.14833	4.2
165.16551	1.5
167.03389	2.1
167.14328	1.9
173.13200	1.6
177.16418	4.5
183.17537	2.4
191.08566	1.8
191.17998	2.2
195.17372	1.4
205.19531	3.1
209.18932	3.3
218.07503	1.4
219.07930	1.5
221.08086	1.8
235.07527	1.4
261.25714	8.9
279.08734	1.9
279.11450	2.1
279.23648	2.7
279.26721	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	279.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	1.1
53.03932	2.1
55.05260	2.2
55.05506	26.6
56.96581	1.4
57.03418	1.2
57.07074	42.8
59.04996	9.5
61.20353	1.1
65.03951	1.4
67.05231	1.3
67.05510	15.0
69.03416	4.1
69.07067	100.0
69.35228	1.5
69.35571	13.4
70.07381	1.7
71.04987	3.1
71.08232	1.9
71.08630	37.6
79.05480	7.2
81.06581	2.5
81.07056	46.3
83.08615	37.5
85.06541	2.8
85.10154	2.0
91.05474	3.7
91.77708	1.3
93.07047	20.9
95.04961	1.6
95.08604	53.7
97.06532	8.2
97.07050	1.2
97.10163	11.0
98.20732	2.5
99.08053	2.7
105.07029	2.9
107.08592	22.8
109.06495	1.4
109.10154	26.0
111.08096	4.1
111.11720	15.6
113.13279	3.0
119.08600	2.7
121.10138	15.4
123.11708	30.3
125.13273	3.5
131.08578	1.3
135.11681	15.2
137.13264	9.4
139.11186	3.0
141.12737	1.9
147.11722	1.5
149.02336	16.6
149.13258	16.7
151.14871	2.4
153.12781	2.9
163.14867	4.2
165.16391	2.0
167.14349	2.4
167.61397	1.3
177.16406	5.7
182.10837	1.3
183.17378	2.1
190.11081	1.2
191.17970	3.0
199.11577	1.6
205.08121	1.4
205.19519	4.0
205.67900	1.2
209.19066	3.5
210.41269	1.3
253.84850	1.5
261.25739	9.3
279.26834	42.4
280.18988	1.8
280.27029	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2317
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03947	1.7
55.01869	0.8
55.05509	11.6
55.45787	0.7
57.03438	1.8
57.07075	5.6
57.68998	0.7
58.58163	0.6
65.03943	2.9
65.14211	0.6
66.29474	0.6
67.05503	98.8
68.05823	1.4
69.07065	10.6
69.95125	2.9
70.39008	0.8
71.04986	1.5
71.08635	1.4
71.99040	0.6
79.05495	16.4
80.05824	0.7
81.07054	100.0
82.07383	1.0
82.22193	0.5
83.04984	1.8
83.08620	6.4
85.06538	1.7
91.05479	6.7
93.07041	14.6
95.04966	2.1
95.08606	82.8
96.08955	1.9
97.06552	1.8
97.10175	2.9
99.08117	1.1
105.07015	4.0
107.08584	7.7
109.06501	1.3
109.10154	47.2
109.32716	0.6
111.08150	0.8
117.06998	1.5
119.08569	4.2
119.66532	0.6
121.02871	1.5
121.06464	0.9
121.10144	8.0
123.08066	1.7
123.11706	22.3
123.12585	1.3
125.09602	1.0
127.07548	1.1
131.08565	5.6
133.10124	3.1
135.08072	0.8
135.11702	6.4
137.09602	1.9
137.13263	10.0
145.10109	3.3
147.11674	1.8
149.01146	1.3
149.02339	23.5
149.09615	1.7
149.13226	3.4
151.11128	1.1
151.14818	1.9
153.37518	0.6
159.11699	3.2
161.13237	2.9
163.11151	1.6
163.14818	2.2
165.12758	0.9
167.03352	0.7
167.10675	1.1
173.13260	2.8
177.12741	2.0
177.16293	0.8
179.14186	0.8
181.12202	1.9
187.14836	2.3
191.14246	1.7
195.13741	2.0
198.26387	0.6
209.15315	2.8
219.05699	1.8
219.20897	0.9
223.16980	2.9
228.20264	0.7
237.18288	0.7
243.21025	2.3
261.22180	3.5
279.09265	1.6
279.16599	1.1
279.19574	6.7
279.23132	28.4
280.26306	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2318
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03929	1.5
55.05512	8.3
57.07074	2.8
65.03930	2.0
67.05505	100.0
69.07059	8.7
69.30143	11.9
71.04952	1.3
79.05487	11.1
81.07059	91.6
82.07397	1.9
83.08603	3.1
85.06497	1.0
91.05470	3.1
93.07043	9.9
95.08610	67.2
96.08952	1.1
97.10133	2.4
105.07034	3.3
107.08586	4.1
109.10158	41.0
117.06974	1.1
119.08580	3.0
120.40319	1.0
121.10159	5.8
123.08031	1.4
123.11708	23.5
127.07582	1.0
131.08551	3.5
133.10109	1.1
135.11655	3.2
137.09602	1.0
137.13275	9.5
145.10101	2.1
147.11659	2.5
149.02307	6.1
149.09624	1.2
149.13245	1.4
151.14799	1.6
159.11668	2.0
161.13147	1.1
173.13251	1.6
187.14883	2.6
195.13783	1.5
209.15399	2.4
219.05798	1.1
223.16930	1.4
261.21997	1.9
276.14520	1.2
279.23199	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	279.2319
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
52.98615	1.3
53.03928	1.6
55.05512	9.5
65.03924	3.8
67.05505	99.0
69.07075	11.6
69.37084	1.4
71.03740	4.6
79.05498	15.2
81.07056	100.0
82.07439	1.7
83.08614	4.6
91.05460	4.2
93.07055	12.3
95.08607	77.2
101.65842	1.5
105.07035	3.4
107.08588	6.1
109.10150	21.6
111.08134	1.4
117.06980	2.6
119.08575	3.2
121.10144	6.4
123.11715	12.2
131.08575	7.4
133.10130	2.7
135.11646	3.0
137.13254	7.3
145.10056	2.4
147.11726	2.3
149.02353	2.3
149.09624	2.5
149.13266	3.7
151.14850	1.7
159.11685	2.8
161.13280	1.6
173.13242	5.0
177.12730	3.0
209.15414	1.5
223.16898	2.0
241.96332	1.8
279.23163	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	279.2318
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03941	1.6
55.05510	7.6
56.89677	0.7
57.07070	1.9
65.03938	2.2
67.05506	100.0
68.05824	0.7
69.07071	7.3
71.04975	0.8
71.32190	1.3
71.84712	0.7
79.05494	13.2
81.07058	99.2
82.07385	1.1
83.08617	4.5
85.06542	1.6
91.05473	4.0
93.07052	13.1
95.04987	1.3
95.08608	74.0
97.06526	1.7
97.10155	1.8
99.08066	0.9
105.07019	2.5
107.08584	8.0
107.85791	0.7
109.06496	0.7
109.10158	27.2
117.07008	1.9
119.08572	2.7
121.10143	6.4
123.08072	1.1
123.11714	12.1
127.07504	1.5
131.08578	5.7
133.10101	2.5
135.08011	0.9
135.11688	5.1
137.09651	1.1
137.13251	7.7
145.10083	2.7
147.11603	1.6
149.09622	0.9
149.13268	3.4
151.14804	2.5
159.11678	2.1
161.13193	1.1
163.11154	1.6
163.14777	2.0
167.10623	1.0
173.13303	4.1
177.12715	1.3
181.12225	1.5
187.14824	2.3
191.14268	1.5
195.13785	2.4
209.15285	2.0
219.63554	0.7
223.16963	1.1
237.78445	0.7
243.21060	0.9
254.79678	0.7
261.21964	1.6
279.20447	0.8
279.23215	11.7
292.69250	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2315
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03934	1.4
55.05507	9.8
56.96559	1.3
57.03420	1.8
57.07074	4.7
65.03927	3.7
67.05500	100.0
69.06725	1.1
69.07066	10.6
71.04966	1.3
71.59164	1.9
79.05488	14.7
79.89993	1.0
81.07052	99.3
82.07391	1.2
83.05014	1.0
83.08619	6.2
91.05476	7.5
93.07044	14.5
95.04978	1.9
95.08601	77.0
96.08968	1.1
97.02895	1.2
97.06512	3.2
97.10184	3.1
105.07045	5.2
107.08578	11.0
109.06513	1.6
109.10149	43.2
111.11692	1.7
117.07000	2.1
119.08595	5.1
121.02843	1.3
121.10135	12.1
123.08107	1.7
123.11703	23.0
131.08560	4.2
133.10103	4.4
134.99478	1.3
135.11679	5.4
137.13232	7.4
145.10138	3.4
147.11652	3.1
149.02319	21.4
149.09637	1.3
149.13213	4.8
151.11151	1.0
151.14841	3.1
153.00496	3.3
158.03220	4.5
159.11673	3.0
163.11166	2.6
163.14922	2.3
167.10683	1.2
171.01566	1.9
173.13239	3.6
175.14784	1.3
177.12798	1.6
187.14786	3.0
191.14055	1.0
195.13794	1.8
202.40202	1.2
209.15381	2.7
219.05701	2.7
223.16914	2.6
243.21065	2.3
261.22076	4.0
279.09427	1.9
279.23175	25.6
279.28033	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	279.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71735	1.7
57.07069	8.8
67.05505	5.8
69.03437	1.8
71.49917	3.6
73.06558	6.2
85.06546	33.7
86.09702	6.5
86.97757	1.7
87.04468	48.3
89.06033	100.0
91.05500	3.4
93.07076	1.8
97.02882	2.0
107.04950	8.3
107.07101	4.4
120.08127	9.8
121.02886	3.7
129.07033	2.2
129.09097	13.1
130.08676	1.9
133.08603	26.8
147.04462	4.6
147.08026	2.0
149.02339	38.4
153.01813	6.6
165.06981	2.5
177.11224	1.9
189.07047	4.6
190.07774	14.5
191.08563	23.4
201.06999	1.7
208.08894	2.4
218.07295	9.2
219.08037	30.1
220.08542	1.8
235.07573	2.3
236.08325	7.4
247.07619	13.3
248.08075	2.1
251.10683	48.4
251.13341	3.3
279.10205	30.7
280.10168	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	0.6
56.96559	0.4
57.05802	0.3
57.07066	1.3
58.06601	0.4
65.03938	0.7
67.05495	0.5
69.07063	13.2
70.06599	0.5
71.15597	0.9
79.05473	0.6
81.07040	0.5
83.05034	0.4
86.09700	100.0
87.10050	1.0
91.05470	3.1
93.03407	0.6
93.07027	0.6
95.04985	0.6
95.08607	0.7
103.03933	0.5
103.05452	0.7
105.07041	0.6
107.04948	6.0
107.05630	0.6
116.07088	0.4
116.98644	0.4
117.52996	0.4
119.04939	5.8
119.08492	0.4
120.08097	13.5
121.02870	1.2
134.08119	2.7
136.07547	0.8
139.03923	0.7
146.06029	0.6
147.04401	21.0
147.08017	0.8
149.02330	9.3
149.03479	0.5
153.01822	1.3
166.08621	4.5
175.07581	0.9
229.60828	0.4
229.95387	0.4
233.16508	0.4
279.05154	0.5
279.17047	1.3
280.11874	0.4
287.80167	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1702
Annotation	H-PHE-LEU-OH
Peak:m/z	Relative Intensity
57.07074	1.0
67.41914	0.6
67.50000	0.8
69.07023	1.0
70.73937	1.1
86.09704	100.0
91.05499	1.5
93.07034	2.0
95.04973	0.7
96.24449	0.6
103.05463	7.1
107.04966	6.8
120.08103	99.1
121.08447	1.9
132.10219	2.0
145.59186	0.8
147.08086	0.7
149.02348	6.7
153.01788	0.7
163.58359	0.7
166.08620	9.3
233.16508	1.9
279.17010	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	279.1703
Annotation	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
50.34196	0.3
56.05021	0.4
57.03416	0.4
57.05812	0.7
57.07062	1.4
58.23361	0.3
65.03939	0.7
67.05501	0.5
69.07066	13.7
70.06567	0.5
71.57983	0.4
73.95634	0.3
79.05477	0.4
81.07064	0.6
86.09700	100.0
87.10036	0.7
91.05477	3.4
93.07047	0.6
95.08614	1.0
103.03926	0.6
103.05491	0.6
107.04959	2.9
111.04441	0.5
116.07109	0.6
119.04934	5.7
119.08569	0.4
120.08100	11.2
121.02863	1.2
131.04935	0.4
133.10103	0.3
134.08127	4.1
136.07611	0.5
139.03909	0.5
146.06018	0.5
147.04399	20.5
149.02347	9.7
153.01842	1.1
166.08641	5.0
167.03455	0.5
176.11069	0.3
192.99487	0.6
251.10378	0.7
279.17068	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.056
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	33.6
59.35488	0.4
60.29744	0.4
60.68909	0.4
66.85677	0.4
68.89420	0.4
69.03410	0.4
70.11086	1.3
71.95262	0.8
74.97607	1.7
80.86675	0.4
81.03408	0.5
82.99858	0.7
84.08138	4.7
84.96026	8.5
96.28929	0.4
97.02843	0.6
97.96784	0.5
98.20949	0.7
98.97576	50.7
100.99153	0.8
101.00876	7.4
102.97027	1.2
110.97558	3.4
112.99124	2.5
116.98613	35.3
119.01912	31.8
119.02557	0.6
119.02793	0.8
120.02028	1.0
120.98048	0.7
121.01659	0.7
124.99085	3.1
128.07005	0.6
128.98602	5.4
130.08621	1.9
131.00169	4.2
131.01889	2.3
132.98082	0.7
133.03445	0.5
134.99648	19.2
137.02939	8.2
139.00732	0.7
139.02672	0.9
140.00174	1.0
140.98555	2.8
142.03477	1.1
143.00145	21.1
143.01895	10.6
144.01970	0.7
144.98050	0.9
145.03455	1.2
145.50655	0.5
146.99611	4.3
149.01265	3.2
150.99098	1.0
153.00676	2.4
157.01762	1.6
157.03479	0.7
158.01201	1.0
158.99648	13.1
159.01324	1.2
161.01218	28.7
161.02940	42.1
162.03088	0.8
162.99147	1.6
163.02728	0.8
165.00714	3.2
169.00261	0.9
170.99619	0.8
171.01477	0.7
173.01245	2.6
173.02965	4.0
174.97723	0.5
174.99208	1.4
175.02850	0.6
175.04414	1.1
176.99370	1.1
177.00705	25.7
177.02408	6.1
177.04016	0.8
179.00874	0.4
179.02260	3.0
179.03993	1.7
180.10185	0.8
183.01700	1.0
184.02855	0.9
184.04561	1.6
185.03008	0.5
186.01064	0.5
189.00705	1.6
189.02458	1.9
190.54495	0.6
191.02222	1.6
191.03990	4.8
193.00156	2.0
195.01746	5.0
198.02124	1.0
200.02315	0.8
201.00516	1.0
203.04042	1.3
207.01772	1.3
213.01872	0.5
219.01749	8.6
219.03558	0.7
221.05054	0.6
230.94261	0.8
233.05052	3.6
237.02795	61.6
238.03221	0.8
243.13318	0.5
252.00650	0.5
255.03857	100.0
256.04224	1.0
260.04297	2.7
261.04550	3.3
272.95279	2.6
273.04929	6.9
276.02118	0.8
278.05438	3.6
279.03522	18.4
297.04895	33.1
298.05151	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
53.32490	1.0
55.05507	2.0
57.07067	3.6
67.05495	1.8
69.03417	2.2
69.85947	6.5
70.06563	1.9
71.30222	1.1
71.63601	1.0
77.05903	1.0
79.01859	7.3
81.03413	9.8
81.07039	1.2
84.08146	1.3
91.05460	2.7
95.04993	2.0
97.02886	2.1
97.06509	1.3
98.20832	1.7
103.05457	1.3
105.42621	1.0
107.01266	1.1
109.02875	7.1
110.03651	1.5
115.05437	1.5
116.01650	1.4
119.04877	1.7
121.02855	1.8
125.02365	6.0
127.03917	6.7
131.04918	5.0
139.03960	1.3
143.03397	11.2
147.04414	6.5
149.02347	32.9
152.78255	1.0
153.01822	100.0
153.02869	4.2
154.02161	1.4
159.04378	3.6
162.02260	1.6
163.88741	1.1
165.01778	1.5
165.05466	1.4
175.03877	1.4
177.05388	1.7
179.03314	1.3
181.01312	3.8
187.03926	3.7
191.03412	1.5
197.00734	1.8
205.04974	4.2
207.02919	2.3
209.94456	1.2
215.03395	2.4
221.04367	1.3
233.04408	3.7
261.03918	2.6
279.04984	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	279.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78004	1.7
56.96561	24.2
57.03426	3.1
57.07060	1.7
58.02771	1.6
59.88842	1.9
60.40136	1.9
61.02924	2.1
69.03413	7.8
69.68134	12.2
71.04990	4.2
71.65225	2.1
72.08157	1.7
81.03404	10.8
84.08125	5.1
84.96032	3.2
85.02913	9.3
98.21069	6.8
98.67203	1.9
98.97579	100.0
99.04433	2.6
100.07596	11.7
100.99126	3.3
101.00863	2.1
103.00642	5.6
109.02871	8.0
110.97541	11.6
116.98613	81.7
116.99453	4.2
119.00172	2.2
119.01917	20.3
120.00909	2.2
120.01959	3.5
121.01662	38.3
121.02440	3.7
127.03943	2.2
127.93547	1.8
128.98586	18.8
131.00217	3.2
133.01662	5.1
134.99651	40.8
135.03212	6.6
136.94008	6.3
137.02963	4.1
138.03056	1.9
139.02679	13.2
141.02142	2.2
143.00146	7.0
143.01929	4.5
144.03358	2.1
145.01680	5.1
145.03397	3.6
146.08110	10.4
146.99646	18.0
147.03200	6.0
149.01213	3.8
149.02322	4.3
150.99138	3.9
153.00696	5.5
153.04182	2.4
157.03436	3.7
158.01221	2.9
158.99638	31.4
159.03191	15.9
161.01234	13.4
161.02911	18.5
162.01862	2.2
163.02640	17.2
165.00720	6.2
165.04190	2.7
169.00175	2.4
170.99593	5.5
173.02965	3.4
174.99181	3.3
175.04471	2.4
176.99146	4.3
177.00713	84.1
177.04150	17.4
181.03854	2.6
181.85916	2.0
183.01787	3.6
185.03027	2.6
185.04723	2.7
187.02713	6.0
189.00693	20.1
190.05817	2.1
191.02327	3.1
193.00185	4.9
195.01817	12.4
200.02272	4.4
201.04155	3.3
201.05856	2.1
203.04106	3.2
203.05952	4.7
205.03825	7.2
207.01781	16.3
219.01735	7.6
219.05341	4.5
225.02797	2.7
237.02811	27.3
247.04929	3.3
255.03854	30.4
260.89743	2.1
261.06665	2.7
273.04892	2.4
277.07596	2.3
279.04297	11.3
279.07516	31.5
279.15561	13.8
295.08600	4.3
297.04892	10.2
297.08466	64.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78004	1.7
56.96561	24.2
57.03426	3.1
57.07060	1.7
58.02771	1.6
59.88842	1.9
60.40136	1.9
61.02924	2.1
69.03413	7.8
69.68134	12.2
71.04990	4.2
71.65225	2.1
72.08157	1.7
81.03404	10.8
84.08125	5.1
84.96032	3.2
85.02913	9.3
98.21069	6.8
98.67203	1.9
98.97579	100.0
99.04433	2.6
100.07596	11.7
100.99126	3.3
101.00863	2.1
103.00642	5.6
109.02871	8.0
110.97541	11.6
116.98613	81.7
116.99453	4.2
119.00172	2.2
119.01917	20.3
120.00909	2.2
120.01959	3.5
121.01662	38.3
121.02440	3.7
127.03943	2.2
127.93547	1.8
128.98586	18.8
131.00217	3.2
133.01662	5.1
134.99651	40.8
135.03212	6.6
136.94008	6.3
137.02963	4.1
138.03056	1.9
139.02679	13.2
141.02142	2.2
143.00146	7.0
143.01929	4.5
144.03358	2.1
145.01680	5.1
145.03397	3.6
146.08110	10.4
146.99646	18.0
147.03200	6.0
149.01213	3.8
149.02322	4.3
150.99138	3.9
153.00696	5.5
153.04182	2.4
157.03436	3.7
158.01221	2.9
158.99638	31.4
159.03191	15.9
161.01234	13.4
161.02911	18.5
162.01862	2.2
163.02640	17.2
165.00720	6.2
165.04190	2.7
169.00175	2.4
170.99593	5.5
173.02965	3.4
174.99181	3.3
175.04471	2.4
176.99146	4.3
177.00713	84.1
177.04150	17.4
181.03854	2.6
181.85916	2.0
183.01787	3.6
185.03027	2.6
185.04723	2.7
187.02713	6.0
189.00693	20.1
190.05817	2.1
191.02327	3.1
193.00185	4.9
195.01817	12.4
200.02272	4.4
201.04155	3.3
201.05856	2.1
203.04106	3.2
203.05952	4.7
205.03825	7.2
207.01781	16.3
219.01735	7.6
219.05341	4.5
225.02797	2.7
237.02811	27.3
247.04929	3.3
255.03854	30.4
260.89743	2.1
261.06665	2.7
273.04892	2.4
277.07596	2.3
279.04297	11.3
279.07516	31.5
279.15561	13.8
295.08600	4.3
297.04892	10.2
297.08466	64.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.01872	0.7
55.05500	0.4
56.96562	3.1
57.03439	1.4
61.02929	2.1
62.31486	0.2
67.05511	0.3
68.05029	0.6
69.03429	3.9
70.06593	5.7
70.98144	0.3
71.04980	0.8
71.57421	0.3
73.02923	1.6
81.03424	2.2
81.07059	0.3
82.06572	0.3
84.04513	0.4
84.08149	0.5
84.96044	0.3
85.02903	8.5
87.04465	0.5
91.03946	0.6
96.04471	0.2
97.02885	4.1
98.06052	32.5
98.97583	4.2
99.04453	0.8
100.07587	0.4
101.00851	0.3
101.02364	0.3
106.62064	0.2
109.02879	1.1
110.97561	0.7
116.07089	100.0
116.98610	2.9
117.07420	0.7
119.01885	1.2
120.01961	0.6
121.01653	0.4
127.03925	1.8
128.98631	1.4
129.02960	0.2
131.00179	0.5
131.01912	0.5
132.02055	0.3
133.03468	0.7
134.99638	2.5
136.07532	0.3
137.02992	0.5
137.53284	0.3
143.00189	0.4
145.01747	0.4
145.03400	0.3
145.04941	1.1
146.99646	1.7
149.01221	0.3
149.02289	0.4
153.00693	0.4
158.99617	1.2
161.01199	0.9
161.02927	0.7
162.03163	0.4
163.04515	0.3
165.00764	0.6
167.54425	1.3
168.03514	0.3
170.05183	0.2
170.99629	0.3
172.02779	0.6
173.01349	0.3
173.02965	0.5
175.04587	0.3
175.44481	0.2
176.03319	0.3
176.04669	0.4
176.08223	0.5
176.09630	0.2
176.54916	0.7
177.00734	3.1
177.08554	1.3
178.04884	0.3
179.02185	0.3
183.04175	0.5
183.54202	0.4
183.74745	0.2
184.03304	0.2
184.04944	0.5
189.00749	1.1
190.03868	1.0
191.03937	0.3
195.01674	0.3
196.56418	0.3
201.00722	0.5
202.06453	0.3
203.04015	0.4
204.04256	0.3
207.01816	0.5
208.04900	0.3
219.01752	0.8
221.05048	0.6
223.04486	0.3
233.07401	0.3
237.02715	1.3
251.04247	0.3
255.03961	0.5
260.10248	0.4
269.05371	0.3
278.07462	0.5
278.10043	0.5
291.03833	0.2
296.09021	1.4
297.08542	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1235
Annotation	Sachaloside V
Peak:m/z	Relative Intensity
53.03938	0.4
55.01863	0.4
56.96555	1.2
57.03427	0.9
60.73807	0.3
61.02906	1.3
64.19811	0.3
65.56882	0.3
68.05013	0.5
69.03431	2.8
70.06592	5.4
71.04962	0.5
71.57236	0.4
73.02920	0.5
81.03407	1.2
84.08127	0.4
85.02907	6.8
86.06090	0.3
93.94180	0.4
97.02873	2.3
98.06053	31.7
98.97570	1.8
109.02890	0.8
116.07089	100.0
116.98633	1.6
117.07432	0.7
119.01905	0.8
127.03984	0.6
128.98645	0.7
133.42503	0.3
134.99687	0.8
137.02965	0.3
145.04951	0.7
146.99651	0.4
149.05913	0.4
162.03065	0.5
167.54449	0.9
176.04701	0.5
177.00732	1.3
177.08499	0.4
225.07079	0.4
237.02893	0.5
255.08324	0.9
278.07721	0.4
296.09073	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2527
Annotation	5-(1-hydroxybutan-2-yl)isolongifol-4-ene
Peak:m/z	Relative Intensity
53.00306	1.0
53.03947	1.5
53.64317	0.8
55.01859	1.8
55.05510	27.7
57.03414	1.2
57.06836	1.1
57.07079	16.6
59.04989	3.5
65.03924	1.1
67.05177	1.4
67.05508	19.6
69.03417	3.6
69.07069	100.0
71.04977	3.2
71.08639	5.8
71.59260	1.3
79.05494	9.7
81.03398	1.4
81.07056	58.4
83.04977	1.9
83.08620	43.6
85.06528	2.7
85.10157	1.0
91.05477	6.1
93.06487	1.4
93.07049	22.1
95.04945	2.6
95.08608	49.7
97.06534	7.8
97.10170	11.7
99.08054	1.2
105.07030	9.8
107.08604	20.6
109.06517	3.6
109.10156	45.3
111.08077	6.6
111.11723	21.2
116.10699	0.9
119.08583	10.0
121.06478	1.5
121.09318	1.4
121.10143	19.9
123.08086	4.4
123.11707	20.5
125.09602	2.0
127.11184	1.0
131.08557	1.4
133.10147	7.8
135.11678	10.1
136.87601	1.0
137.09618	9.5
137.13258	14.2
138.10295	1.1
139.11171	13.9
145.10121	1.7
147.11674	8.6
148.07457	1.0
149.09598	1.2
149.13255	10.4
151.03893	2.9
151.11182	2.9
151.14896	1.7
153.12698	2.1
158.99121	1.0
161.13261	3.8
163.03905	3.4
163.14784	4.3
165.12772	9.3
165.16365	1.5
173.02354	1.0
175.14810	4.3
177.16350	3.4
179.17970	1.3
181.15875	1.6
182.33090	0.9
189.12805	1.0
189.16389	3.8
191.17957	1.9
193.15843	1.6
195.17468	1.3
203.17953	5.0
206.07185	1.0
207.17542	1.3
209.18918	1.1
219.21146	3.1
221.19009	2.7
235.16884	1.6
259.09717	1.7
259.24207	13.7
277.18402	2.7
277.25266	56.3
278.25665	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
55.01867	4.1
55.05508	23.9
57.03413	2.3
57.07078	28.7
59.04993	3.9
67.05175	2.5
67.05505	34.8
68.99782	2.5
69.03419	7.4
69.07067	100.0
70.15906	10.9
71.01360	2.6
71.04984	4.8
71.08621	4.8
75.05592	2.0
79.05495	19.4
81.03413	7.8
81.07053	76.3
83.04983	5.6
83.08614	19.7
85.06538	17.5
91.05483	14.8
93.07037	34.0
95.04964	6.8
95.08599	49.0
95.09174	3.9
97.02885	2.2
97.06538	19.8
97.10157	5.1
99.04427	2.4
99.08075	2.5
100.11256	6.0
103.05488	2.7
105.07031	20.6
107.04961	4.4
107.08591	26.0
109.02870	11.0
109.06525	8.8
109.09458	3.9
109.10158	46.8
111.04424	2.2
111.08102	4.2
111.11727	13.0
115.05474	3.2
119.04922	5.0
119.08562	14.1
121.06552	2.7
121.10130	20.0
123.04414	9.6
123.08042	5.0
123.11707	26.9
125.09602	5.6
128.06194	2.2
131.08565	8.3
133.02855	2.5
133.06464	5.0
133.10150	11.0
135.04385	5.2
135.08047	3.6
135.11682	19.0
137.05975	6.5
137.09634	3.4
137.13260	12.3
139.03885	2.1
139.11179	9.8
141.06995	2.4
142.12221	2.1
145.06464	2.5
145.10101	5.3
146.06026	15.9
147.04414	7.4
147.08041	4.0
147.11691	6.5
149.02264	2.8
149.09615	3.6
149.13252	9.6
151.03871	12.3
151.07555	5.6
151.11171	4.7
153.05385	2.4
153.12758	10.1
157.10112	4.6
159.11687	4.3
161.05966	23.2
161.09645	5.3
161.13234	3.9
163.03931	11.7
163.07506	4.2
163.14778	3.0
165.05504	7.6
165.12686	6.0
171.04430	2.7
173.02292	2.4
173.13350	2.4
174.05420	4.8
175.03941	4.7
175.07407	4.2
175.11348	2.2
175.14836	4.0
177.05496	4.8
180.08784	3.0
182.15392	2.1
185.09573	3.5
189.05498	14.9
189.09093	8.3
189.16414	3.0
190.06114	2.3
191.03351	3.7
191.06996	3.6
193.04945	29.4
199.07353	2.1
203.10699	8.1
205.04929	3.5
206.07193	2.3
215.06924	3.8
217.04947	7.3
217.08661	5.3
217.19594	2.7
221.04445	7.0
221.78641	1.9
231.10112	18.8
233.08093	2.6
234.06758	4.7
235.16837	10.8
249.11244	21.9
259.09628	21.7
259.13312	6.3
259.17273	2.2
259.20508	4.6
259.24127	6.0
277.08408	4.4
277.10818	52.4
277.14288	5.7
277.18073	7.2
277.21658	16.0
277.25211	44.6
278.11060	5.0
278.17520	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03939	6.4
55.01861	4.0
55.05309	2.1
55.05515	27.5
55.07627	2.4
56.96546	6.5
57.03423	7.0
57.06871	2.0
57.07080	23.0
65.03944	2.8
67.05504	55.9
68.05836	3.3
69.03425	3.1
69.06783	2.3
69.07074	25.3
69.27222	28.0
71.04991	9.0
71.08648	5.0
73.76436	2.1
74.91403	2.2
79.05064	4.3
79.05495	69.4
80.05815	4.5
81.03433	3.6
81.06583	3.8
81.07059	68.9
81.55581	2.0
82.07392	2.6
83.04976	4.6
83.08606	10.2
84.95081	2.3
84.96089	2.3
85.06548	4.9
91.05482	54.7
92.05821	6.3
93.07042	100.0
94.07360	5.1
95.04974	15.5
95.08603	43.2
96.08991	2.5
97.06522	6.7
97.10184	5.1
98.20737	5.8
99.08090	5.0
105.07030	40.4
106.07335	14.2
107.04956	5.7
107.07869	2.5
107.08595	65.3
108.08869	4.0
109.06536	8.5
109.10168	19.8
111.08091	3.1
117.07018	8.1
119.08578	30.5
120.08925	7.7
121.06491	9.0
121.09305	3.7
121.10149	40.0
123.08092	5.0
123.11691	5.6
125.09570	2.6
129.07004	6.6
131.08575	13.6
133.06497	4.4
133.10146	24.9
134.10457	5.7
135.08038	6.2
135.10771	3.9
135.11690	38.2
137.09624	4.6
143.08575	5.1
145.10141	12.6
147.04303	3.6
147.08087	5.9
147.11639	18.3
148.11993	7.0
149.02351	31.2
149.09613	4.6
149.13252	27.6
151.03886	7.2
151.07407	2.7
151.11189	4.8
157.10216	4.8
159.11699	6.4
160.12073	3.5
161.09628	4.4
161.13261	10.0
162.06776	5.1
163.11185	3.8
163.14821	5.8
165.05492	5.6
165.12814	2.9
171.11768	4.7
173.13159	2.9
175.07584	13.6
175.11224	4.1
175.14789	5.9
177.12723	3.5
179.07072	2.9
179.10677	7.5
180.07698	3.6
185.13307	3.5
187.14734	3.9
187.73761	2.7
189.12801	5.3
190.79379	2.1
191.07047	6.2
191.14375	2.2
193.08615	19.2
193.12238	5.0
205.15903	2.4
207.13785	5.0
209.08067	3.4
209.11461	2.4
217.08662	2.9
217.12206	9.2
217.15840	3.2
217.19530	6.6
219.13916	2.5
221.15335	7.0
224.68692	2.5
235.13362	28.9
235.16893	29.9
239.03995	3.4
241.19447	5.7
253.57751	2.5
259.13364	11.2
259.20602	12.2
277.14362	13.4
277.17929	23.9
277.21387	92.2
277.28207	7.0
278.17523	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	277.2161
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03930	5.6
55.01860	3.4
55.05516	24.5
57.03437	7.5
57.07067	3.5
65.03925	3.9
67.05505	40.1
69.07070	22.4
71.04999	2.5
71.08630	3.3
71.14595	1.4
79.05491	77.6
81.07058	53.0
83.04991	2.2
83.08618	10.6
84.46407	1.5
85.06522	2.6
91.05482	31.4
93.07046	100.0
95.04969	11.9
95.08055	2.5
95.08610	34.9
97.06525	3.1
97.10178	4.9
98.20723	3.7
99.08085	4.8
105.04495	2.1
105.07034	20.6
105.64471	1.6
107.08594	60.5
109.06503	5.3
109.10146	15.7
111.08057	4.4
117.06992	3.6
119.08569	15.8
121.09317	2.9
121.10148	46.7
123.08047	4.3
123.11699	3.8
125.09616	1.8
129.06956	1.8
131.08559	5.6
133.10162	16.5
135.08098	2.1
135.11688	47.8
137.09615	2.4
143.08551	3.1
145.10114	6.8
147.11687	10.1
149.09593	1.7
149.13258	21.9
151.11162	3.4
157.10199	2.5
157.72569	1.4
159.11688	4.0
161.13260	5.5
163.11140	4.3
163.14822	4.6
171.11731	2.9
173.13242	2.0
175.11017	1.5
175.14809	1.4
179.14354	2.5
185.13235	2.5
187.14819	4.8
193.12131	1.6
195.13881	3.4
199.14786	2.2
203.14130	1.6
205.15849	5.9
207.13902	1.6
207.17471	4.9
213.16321	2.1
221.15395	3.9
235.16885	4.4
241.19467	2.8
259.20572	7.9
277.18466	3.9
277.21613	73.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03931	4.7
55.01872	27.9
55.05261	3.7
55.05511	38.0
55.21213	2.3
57.07059	7.9
67.05175	3.6
67.05504	51.7
69.07073	24.4
70.71658	7.1
71.04987	7.2
71.08625	15.0
79.05066	4.4
79.05494	63.7
81.03397	5.6
81.07056	59.3
83.04971	5.7
83.08598	14.1
85.06540	5.3
91.05475	43.0
93.07044	97.8
94.07399	2.9
95.04963	16.9
95.08604	30.7
97.06519	4.8
97.10117	4.5
99.08082	8.5
105.07027	29.3
107.04948	4.0
107.08589	48.0
108.05816	2.7
109.06545	6.4
109.10146	19.1
111.08089	20.1
117.07007	5.4
119.08559	19.7
121.10151	30.2
123.08089	4.1
123.11714	4.7
125.09641	5.4
127.24124	2.5
129.06953	3.2
131.08557	6.2
133.10114	26.0
135.11687	27.8
141.12735	4.0
141.60262	2.4
143.08542	3.8
145.10071	8.3
147.11653	15.3
149.09563	5.4
149.13251	18.6
151.11185	8.7
157.10104	7.2
159.11626	3.3
161.09657	4.1
161.13268	13.1
163.11212	11.8
163.14795	8.2
165.12764	5.8
171.11697	5.9
175.11177	5.7
175.14806	3.4
185.13272	4.3
189.12782	3.9
193.12196	3.1
195.13774	3.0
199.14790	4.5
221.15358	4.7
231.21049	4.5
235.16852	6.3
241.19566	4.2
259.20728	11.6
277.18369	5.0
277.21631	100.0
278.21811	3.3
278.96863	2.5
295.41476	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	277.216
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03939	7.9
54.98912	2.2
55.01871	18.5
55.03906	2.2
55.05510	33.7
57.03413	2.8
57.07070	6.2
61.45089	2.8
67.05503	64.5
69.07053	20.7
70.83884	4.5
70.84206	2.7
71.04988	5.8
71.08628	15.9
79.05488	65.9
81.03407	5.4
81.07059	61.6
83.04956	6.3
83.08610	14.7
85.06551	3.4
85.10188	4.0
91.05475	46.1
93.07042	97.3
93.07632	5.3
95.04981	20.8
95.08607	39.5
97.06508	10.4
97.10173	5.7
99.08091	12.0
105.04507	3.2
105.07034	29.6
107.04942	5.1
107.08589	50.7
109.06499	10.0
109.10117	15.9
111.08074	12.5
117.07023	7.6
119.08582	21.0
121.06469	4.5
121.10137	28.1
123.08044	4.2
123.11691	7.2
129.07016	4.2
131.08537	7.5
133.10115	19.4
135.11700	24.3
137.09575	4.2
138.20386	2.6
141.12743	4.0
143.08521	4.0
145.10146	6.2
147.08034	3.6
147.11687	19.9
149.09721	3.1
149.13266	17.4
151.11208	11.7
159.11790	3.7
161.09598	3.0
161.13289	11.8
162.51274	2.8
163.11182	12.1
163.14801	9.8
165.12732	10.7
171.11690	7.3
174.65794	2.7
175.11240	2.6
175.14909	5.4
177.12805	3.4
178.55772	2.5
179.14310	6.5
185.13316	6.3
191.96532	2.9
193.12242	3.6
221.15410	5.6
231.21091	4.8
235.16971	3.6
241.19473	8.4
259.20618	12.7
277.21628	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.8
55.05514	18.4
67.05508	34.2
67.78452	2.0
69.07069	14.0
69.27566	2.7
69.27869	25.1
79.05494	74.5
81.07056	33.6
83.08617	7.3
91.05481	23.1
93.07044	100.0
95.04974	11.1
95.08606	22.8
97.10193	3.8
98.20782	4.4
105.07027	15.6
107.08591	48.6
109.10184	13.4
117.06959	2.4
119.08591	10.6
121.10144	44.8
123.11723	3.4
131.08553	3.1
133.10136	7.5
135.11705	45.5
143.08604	2.7
147.11688	7.2
149.13280	24.9
161.13187	3.1
163.14830	5.7
175.14861	2.7
235.16914	3.9
241.19528	3.0
259.20651	4.2
271.75058	2.2
277.18637	1.9
277.21594	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	277.2161
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03945	2.7
55.05503	17.7
57.07069	2.7
67.00211	2.2
67.05503	36.3
69.07079	15.0
69.87010	11.2
69.87425	4.7
76.63335	2.2
79.05491	74.0
81.07059	33.4
83.08613	6.8
91.05477	24.8
93.07040	100.0
93.07639	5.3
95.04967	11.4
95.08601	27.6
98.20779	2.7
105.07040	17.1
107.08598	51.0
109.09492	2.9
109.10139	17.9
119.08566	10.4
121.10142	38.1
123.11691	3.1
128.08139	2.4
131.08632	2.7
133.10121	11.2
135.08076	2.6
135.11690	53.0
137.14905	2.4
145.10161	4.6
147.11667	7.2
149.13274	19.2
151.11166	3.2
161.13257	5.7
163.14804	5.6
171.11665	2.5
175.14873	2.8
184.92709	2.4
213.16293	2.7
221.15247	2.8
235.16942	5.2
277.21585	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03934	5.0
54.69184	2.0
55.01873	3.5
55.05512	20.6
56.96545	2.6
57.03434	3.5
57.07074	11.5
61.43941	2.3
65.29405	2.1
67.05501	52.6
69.03430	3.5
69.06768	2.0
69.07068	19.7
71.04984	4.0
71.08605	6.1
71.54910	2.6
79.05065	3.4
79.05492	48.8
81.03397	8.7
81.07056	46.8
82.07369	2.5
83.04967	5.3
83.08626	11.9
85.17902	1.9
91.05467	28.2
93.07039	68.4
95.04969	13.8
95.08595	32.0
97.06522	8.0
97.10155	3.7
99.08070	3.8
105.07024	22.0
106.07409	2.3
107.04938	3.9
107.08590	36.6
109.06512	4.9
109.10152	17.6
111.08072	3.5
114.21027	2.2
117.06997	7.5
119.08595	13.5
121.06462	2.8
121.10135	22.6
123.08060	2.6
124.79192	1.9
129.06999	3.3
131.08531	7.9
133.10130	11.7
135.08032	3.9
135.11690	26.3
137.09630	4.3
143.08571	5.2
145.10124	4.2
147.08032	2.9
147.11731	11.2
147.12651	2.1
149.02377	2.3
149.12170	2.0
149.13254	13.8
151.11169	7.5
157.10135	2.7
159.11674	5.0
161.09583	4.5
161.13261	6.0
162.06789	2.8
163.11139	6.7
163.14809	7.0
165.12775	4.4
171.11668	3.4
173.13254	3.6
175.14822	3.5
179.10661	4.3
181.12131	2.1
185.13248	2.9
189.12784	2.6
193.08630	4.1
199.16760	2.7
207.13840	2.5
217.12294	3.0
217.19588	2.7
231.21156	3.4
235.13274	4.1
235.16908	19.7
241.19444	4.7
259.20596	8.1
277.18030	11.9
277.21591	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
51.07252	3.6
53.03929	10.3
55.05505	21.2
57.07072	24.5
66.00655	3.2
67.05502	44.9
69.07062	19.9
69.43446	29.0
69.43858	9.6
71.04984	5.1
71.08612	14.4
73.06514	3.8
79.05487	64.3
81.03413	8.1
81.07052	55.4
83.04977	6.0
83.08581	11.6
87.58070	4.0
91.05470	31.1
93.07036	100.0
95.04942	14.0
95.08596	38.6
97.06528	4.8
99.08100	11.7
105.06978	19.9
107.08582	54.1
109.10156	13.4
111.08002	3.5
113.09612	4.1
117.07012	8.5
119.08569	17.2
121.10138	36.7
123.08102	4.3
123.11733	4.2
129.06940	5.0
131.08546	6.6
133.10133	17.4
135.08029	4.1
135.11681	44.3
137.09525	3.8
145.10048	6.0
147.11656	9.9
149.13249	16.0
151.11174	7.1
157.10213	3.8
159.11679	4.5
161.13246	8.0
163.11240	6.1
175.14775	3.7
179.10699	11.1
179.14336	11.7
197.36642	3.6
231.21048	4.4
235.16901	43.6
241.19536	3.9
259.20578	4.6
277.18033	29.2
277.21628	80.8
278.21826	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03938	5.6
54.53489	3.5
55.01857	4.5
55.05513	30.1
56.05052	3.7
57.07074	28.8
59.04992	4.6
59.55309	3.7
60.73536	3.7
67.05505	55.8
69.03432	20.6
69.07068	35.6
70.06586	4.3
71.04991	9.2
71.08606	4.1
71.59428	8.1
79.05492	41.3
81.03402	9.2
81.07064	100.0
83.04977	14.2
83.08617	15.1
84.41364	4.0
85.06538	58.2
91.05472	29.2
93.06479	5.3
93.07043	74.5
95.04948	16.2
95.08611	92.6
97.06513	13.8
97.10140	9.2
99.04486	5.9
99.08092	74.8
105.07022	44.3
107.04938	5.8
107.08595	58.7
108.88303	3.8
109.06509	20.0
109.10164	61.0
111.08083	8.9
113.09641	8.3
117.06994	9.2
119.08586	45.7
121.06481	11.2
121.10148	56.8
123.04406	8.1
123.08053	8.5
123.11687	34.0
124.75157	3.9
125.09626	16.8
126.31963	3.5
129.06967	5.3
131.08524	13.9
133.10126	40.5
135.08058	9.2
135.11682	33.9
137.09618	16.6
137.13243	13.8
139.11168	7.4
143.08582	4.7
145.10126	16.4
146.06004	13.3
147.04370	4.2
147.08093	9.4
147.11700	26.3
149.09560	8.8
149.13258	16.1
151.03906	10.8
151.11200	25.9
157.10143	13.0
159.11703	13.0
161.09576	5.8
161.13252	14.2
161.63676	3.5
163.11171	8.1
165.12756	20.8
171.11713	8.0
173.13290	9.3
174.05540	6.0
175.11165	5.7
175.14885	18.7
179.10649	6.9
179.14267	9.4
183.11656	4.4
185.13205	9.5
189.12738	3.8
190.86885	3.8
199.14917	9.9
201.16393	11.4
203.14384	10.2
217.19666	6.1
234.06744	9.0
235.16943	23.4
236.78955	4.2
236.94186	4.3
241.19392	5.2
249.09016	4.0
251.56421	4.0
259.09497	7.8
259.17038	4.5
259.20584	19.4
262.06183	4.6
275.49615	4.4
277.08450	9.3
277.14661	8.2
277.18094	16.6
277.21622	78.0
277.25424	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	277.2161
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
50.13029	1.5
53.03932	6.3
55.01872	22.0
55.05255	2.4
55.05506	27.4
56.96552	2.1
57.07066	10.3
59.04998	2.0
60.33038	1.6
65.03938	2.3
67.05502	62.9
69.03411	2.0
69.07065	22.1
71.04962	5.6
71.08625	15.2
73.06537	1.8
73.28758	1.5
78.62461	1.7
79.05490	67.8
81.03403	6.2
81.06584	3.2
81.07055	63.2
83.04966	7.8
83.08611	15.3
83.52957	1.5
85.06540	3.2
85.10201	1.8
91.05478	44.4
93.07037	94.8
95.04981	18.2
95.08607	40.2
97.06532	13.7
97.10151	5.6
99.08096	10.7
102.45625	1.6
105.06387	2.7
105.07027	31.4
107.04952	7.1
107.07870	2.8
107.08586	45.9
109.06545	9.8
109.10146	18.2
111.08083	18.7
113.09616	4.3
117.06998	8.5
119.08575	19.9
121.06516	4.1
121.10137	27.3
123.08070	5.0
123.11688	6.7
125.09618	2.9
129.07002	5.7
131.08603	9.0
133.10135	21.0
135.08049	3.4
135.11685	31.8
137.09612	4.9
137.13234	4.7
139.11227	3.2
141.12750	4.9
143.08546	3.7
145.10127	8.5
147.11690	17.4
149.09637	5.8
149.13268	18.7
151.11143	9.5
157.10100	4.0
159.11703	5.5
161.09642	4.1
161.13239	13.5
163.11165	19.4
163.14804	7.8
165.12759	8.9
169.12228	1.6
171.11650	7.6
173.13260	3.3
175.11308	2.7
175.14815	6.7
177.12717	2.8
179.10695	2.0
179.14313	5.6
185.13289	4.8
187.92940	1.8
189.12766	4.6
189.16467	2.1
193.12280	2.5
195.13864	2.0
199.14778	4.2
207.13794	2.7
210.93307	1.6
217.15933	1.6
217.19556	2.0
221.15416	6.0
231.17365	1.8
231.21101	4.2
235.16887	8.9
241.19466	5.8
249.22099	3.4
259.20633	12.6
277.18460	4.3
277.21616	100.0
278.21988	2.4
279.37607	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.216
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03951	3.6
55.05510	16.5
57.46531	2.0
61.91408	2.0
63.58688	1.7
67.05506	36.5
69.07061	14.2
70.11593	9.3
79.05492	72.2
81.07055	37.5
83.04960	4.2
83.08610	7.1
91.05476	27.1
93.07043	100.0
95.04967	11.4
95.05469	2.2
95.08604	22.9
95.63371	1.9
97.10156	4.6
98.21476	2.2
102.20073	1.7
105.07022	13.6
106.07292	1.9
107.08590	51.6
109.06506	2.4
109.10152	15.2
117.07005	4.5
119.08591	10.1
121.10142	38.3
123.11714	3.1
128.81230	2.0
129.06993	2.1
131.08551	5.3
133.10121	14.2
134.41533	1.8
135.07950	2.3
135.11693	54.6
135.12711	3.3
139.11093	2.0
143.11037	1.9
145.10141	3.1
147.11661	8.4
149.09607	2.5
149.13268	22.8
159.11705	2.8
161.13335	3.2
163.14809	6.2
171.11740	3.0
173.13292	2.7
175.14853	2.9
195.13737	2.4
207.13617	2.7
213.16418	2.0
235.16905	2.8
241.19325	1.9
247.17001	2.1
259.20575	3.9
277.21606	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	277.2161
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03932	6.4
53.04506	2.3
54.60532	2.7
55.01856	4.1
55.05511	29.4
57.03439	3.0
57.07064	10.7
60.96357	2.5
65.03934	3.1
67.05506	61.2
67.05882	5.0
69.07073	21.2
70.09892	12.7
71.04970	4.5
71.08639	13.6
72.56280	2.9
77.81495	2.5
79.05495	72.2
81.03414	7.5
81.07051	60.4
83.04967	6.7
83.08627	12.8
85.06539	4.1
91.05472	40.6
93.07043	100.0
95.04970	15.1
95.08605	38.7
97.06516	6.1
97.10153	6.4
98.21449	2.7
99.08095	14.9
100.18432	2.6
103.05492	2.9
105.07034	27.4
105.07690	4.0
107.04933	3.8
107.08594	56.1
109.06501	5.9
109.10163	20.3
111.08073	3.5
117.07014	7.7
119.08597	19.3
121.06456	3.9
121.10165	31.7
123.04471	3.0
123.08030	2.9
123.11713	3.2
125.09642	4.7
129.07047	3.7
131.08496	4.7
133.10120	15.7
135.08035	5.4
135.11697	34.7
137.09631	3.7
141.12733	4.7
143.08597	4.0
145.10101	7.3
147.08031	3.8
147.11745	13.1
149.09764	2.7
149.13275	20.3
151.11163	6.8
159.11722	3.7
161.13297	11.1
163.11172	8.0
163.14844	5.9
171.11729	7.5
173.13354	3.9
175.14771	8.0
177.12753	3.2
179.10718	5.3
179.14369	4.4
189.12733	4.3
195.13924	3.1
207.13840	2.6
217.19595	3.2
221.15416	5.2
235.13319	5.3
235.16911	9.8
241.19484	6.5
244.81049	2.5
259.20609	10.3
277.18365	5.5
277.21640	94.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
51.02368	1.8
52.95678	1.4
53.03714	1.3
53.03948	23.9
55.01876	9.2
55.05270	2.7
55.05512	38.8
57.03431	2.7
57.07072	15.7
60.00240	1.4
65.03606	1.6
65.03930	5.3
67.05505	83.2
69.03434	1.7
69.07069	46.2
71.04975	6.6
71.08639	12.7
71.50307	2.7
74.11157	1.5
76.47673	1.6
77.03931	1.8
79.05495	74.6
80.98537	1.5
81.03416	68.8
81.07057	79.0
83.04987	17.9
83.08626	14.2
85.06533	5.2
85.10165	3.2
91.05480	50.4
93.07045	87.8
95.04972	59.5
95.08607	35.8
97.06516	6.5
97.10172	8.8
99.08079	9.6
103.05544	1.7
105.07032	41.1
107.04962	3.6
107.08594	45.1
109.06509	14.2
109.10152	22.2
111.08053	5.8
113.09640	2.2
115.05450	1.7
117.06998	7.5
119.08580	23.9
121.06476	6.7
121.10145	21.1
123.08035	4.7
123.11688	5.8
125.09623	7.5
129.06976	7.0
130.90027	1.8
131.08595	11.2
133.06479	2.5
133.10133	25.9
135.08047	4.5
135.11691	17.0
137.09596	3.8
137.13167	1.5
143.08531	4.6
145.10117	5.7
147.08023	3.2
147.11705	22.5
149.09683	1.9
149.13249	14.9
151.11185	42.6
153.09045	3.1
157.10126	5.6
159.11687	4.3
161.09583	4.3
161.13245	15.2
163.11107	1.7
163.14807	6.9
165.12772	19.1
167.36775	1.5
171.11667	6.3
173.13287	2.7
175.11121	5.0
175.14812	6.2
177.12769	4.9
177.16364	1.7
179.10689	3.8
179.14291	10.2
185.13278	3.4
189.12657	3.3
193.12228	2.9
199.14842	2.4
201.16443	1.7
207.13829	6.3
217.19499	3.7
221.15300	2.7
231.21080	10.7
235.16968	17.2
241.19504	5.6
249.22093	5.4
259.20605	8.0
272.62289	1.5
277.18134	10.0
277.21613	100.0
278.22070	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79426	1.2
53.03933	1.9
55.01865	3.4
55.05497	4.9
57.07061	4.2
65.03933	3.2
67.01844	2.8
67.05498	13.4
68.99784	12.9
69.03430	8.8
69.07068	7.7
70.06574	1.8
70.71839	2.5
72.08131	3.8
79.01907	1.4
79.05484	13.2
81.03397	5.5
81.07044	9.7
83.04978	11.3
84.08146	9.2
85.02892	2.2
86.09692	1.7
91.05471	11.4
93.07036	6.4
95.01328	22.7
95.04975	17.7
95.08604	21.9
97.02858	3.0
97.06530	3.3
99.00809	1.8
101.30247	1.5
103.05457	5.2
105.03414	2.2
105.07030	12.9
107.04968	12.5
107.08601	6.3
109.02866	3.3
109.05790	2.0
109.06518	30.8
109.10146	20.5
110.07283	17.0
111.04458	1.4
114.10304	3.0
115.05446	5.4
117.07008	6.5
119.01916	1.7
119.04971	6.6
119.08558	11.3
120.08104	6.0
121.02882	3.2
121.06498	7.8
121.10139	7.1
121.75006	1.2
122.07283	11.2
123.00806	6.9
123.04422	25.4
123.08068	13.6
124.08849	36.4
125.02342	1.9
125.06012	1.7
127.03893	3.4
128.06207	5.3
129.07005	6.3
130.07765	1.9
131.04907	3.2
131.08546	2.2
133.02858	2.1
133.06508	6.7
133.10114	3.9
135.04411	6.5
135.08061	3.2
135.11748	1.7
136.07581	2.5
137.09615	100.0
139.03899	7.8
141.01819	89.1
141.06993	3.5
142.07777	10.3
143.08551	10.0
144.09314	1.4
145.06479	5.1
145.10118	9.5
146.06000	4.8
147.04405	19.1
147.08025	1.8
149.02315	3.8
149.06001	2.3
149.09558	1.7
151.03902	18.0
153.01839	9.3
153.05481	8.8
153.06720	1.4
154.07797	2.2
155.03380	9.9
157.06480	2.0
157.10126	9.2
158.07243	2.1
159.02907	2.4
159.08037	3.3
159.11661	4.6
161.05994	7.9
161.09604	5.6
163.03908	7.5
163.07547	2.0
163.11211	1.9
165.05467	4.0
166.99741	1.6
167.03384	7.5
167.08580	2.2
169.10138	1.4
170.07257	3.9
171.04347	2.0
171.08040	8.2
172.08810	2.2
173.05894	3.3
173.09598	3.3
175.03879	7.7
177.05450	3.5
177.09076	2.2
179.10588	3.3
181.04950	27.3
183.02852	3.2
183.04393	1.6
185.05948	1.9
185.09598	18.5
186.09081	1.7
187.03909	2.9
187.11188	5.4
188.07106	2.6
189.05577	11.9
189.07399	4.3
189.09006	12.7
193.04948	5.0
199.07468	2.9
203.03375	1.9
203.07199	1.4
203.10675	4.0
206.10069	2.1
207.02899	2.8
207.06523	4.8
213.05498	4.2
213.09085	11.1
217.05057	7.2
217.08525	10.4
219.06479	8.2
221.04446	5.6
231.02882	3.8
231.06493	2.2
231.10149	20.6
235.05995	31.8
235.09573	6.2
235.16824	8.0
241.04866	5.1
241.08658	2.0
244.99629	1.5
247.09662	1.8
249.11063	1.6
259.02286	4.0
259.06021	11.0
259.09570	12.1
277.03867	6.7
277.07205	5.5
277.10626	35.1
277.17773	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	277.107
Annotation	Illudalic acid
Peak:m/z	Relative Intensity
53.03935	2.3
55.01859	3.4
55.05513	5.1
57.03428	6.0
57.07076	22.4
58.79718	0.9
59.04977	1.3
62.24866	0.9
65.03939	3.9
67.01850	0.9
67.05505	27.3
68.99789	4.9
69.03420	1.7
69.07056	9.4
69.90588	3.0
70.74137	0.7
71.01350	1.3
71.08605	1.5
79.05492	9.0
81.03419	17.6
81.07052	17.3
83.04965	3.1
83.08599	1.3
85.06542	53.3
91.05476	7.4
93.07046	5.6
95.04977	6.8
95.08605	7.1
97.02875	1.0
97.06557	4.1
99.08070	2.3
103.05425	1.5
103.83778	0.9
105.03341	1.5
105.07030	10.1
107.01309	1.5
107.04969	4.6
107.08585	3.6
109.02881	30.8
109.06516	12.7
109.10162	3.5
111.00811	1.2
111.07997	1.0
111.11687	1.5
115.05453	2.5
117.07005	2.3
119.04935	2.9
119.08574	4.5
121.02861	1.5
121.06487	1.9
121.10121	3.7
123.04424	9.9
123.08039	4.3
123.11708	4.9
125.05994	1.7
125.09595	2.0
127.03917	5.1
127.07553	21.5
128.06204	3.3
129.06966	2.8
131.04884	2.0
131.08563	2.0
132.02293	0.8
132.05754	1.0
133.06491	9.6
133.10103	3.7
135.04411	7.3
135.08037	1.0
137.05954	4.9
137.13242	1.6
139.03900	1.5
139.11185	1.8
141.06950	1.2
142.07790	2.9
143.08556	2.0
145.06494	4.7
145.10097	1.8
146.05962	1.1
146.07251	0.8
146.15176	0.9
147.04420	11.8
147.08047	4.7
147.11656	1.1
148.05179	3.0
149.02394	1.3
149.05928	3.5
151.03897	15.9
151.07553	3.7
152.06158	1.3
153.05475	8.1
157.06508	1.4
157.10100	4.3
159.04373	1.2
159.08078	3.5
160.05168	2.0
161.05980	24.7
161.09608	9.7
163.03909	18.8
163.07555	1.7
164.04680	2.4
165.05476	6.3
167.07137	1.6
167.08562	1.6
169.08618	5.2
170.07266	1.4
171.06512	3.7
171.08054	3.5
172.69254	0.9
173.05957	2.6
174.05414	1.0
174.06754	3.6
175.03877	3.3
175.07524	7.9
175.11165	2.3
176.04669	3.6
176.08298	1.2
177.05481	6.9
177.09067	0.8
177.16510	0.8
185.05984	1.8
185.09583	5.2
187.03850	1.4
187.07573	4.6
188.08344	1.1
189.05484	12.6
189.09097	16.6
191.03398	9.4
191.07077	6.3
191.10643	0.9
192.04175	9.8
193.04970	17.8
195.06528	6.4
195.08046	1.6
198.06815	3.9
199.07529	2.3
200.04738	1.4
201.05466	11.8
202.06264	6.4
203.03427	1.2
203.07051	7.3
203.10660	19.0
205.04915	1.2
207.10072	1.7
213.09097	11.6
215.06985	8.2
216.07748	1.8
217.05156	1.7
217.08574	22.6
218.09050	0.9
219.06575	1.6
221.04486	3.8
226.06308	0.8
230.05750	4.6
231.06566	1.7
231.10159	47.6
232.10493	1.7
233.08080	1.7
235.09695	4.2
241.08527	6.7
249.11224	15.9
259.09656	83.7
260.09933	3.3
277.10709	100.0
277.21643	3.0
277.24948	1.8
278.11108	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	277.107
Annotation	Intybulide
Peak:m/z	Relative Intensity
53.03938	1.5
55.01859	3.4
55.05515	11.2
57.03437	7.1
57.07077	24.5
65.03929	4.0
67.01868	1.5
67.05505	40.8
68.99780	4.0
69.03419	4.2
69.07066	17.3
71.01340	1.8
71.04980	2.4
71.58732	2.5
79.05495	11.2
81.03426	18.6
81.06583	1.9
81.07057	34.7
83.01383	1.2
83.04971	3.7
83.08620	5.5
85.06544	55.1
91.05478	8.4
93.03380	1.1
93.07053	8.9
95.04990	6.9
95.08601	23.4
97.06538	2.4
97.10162	1.6
99.08111	2.5
100.11263	13.0
101.11574	1.3
103.05444	1.6
105.07034	10.2
107.01313	1.2
107.04929	5.2
107.08590	4.5
109.02129	2.0
109.02882	33.7
109.06506	13.7
109.10162	12.2
110.67499	1.1
111.00777	1.8
111.04424	2.2
111.11723	2.7
115.05447	3.0
117.07005	3.2
119.04959	3.5
119.08560	5.9
121.02870	2.3
121.06505	3.9
121.10122	6.1
123.04424	10.6
123.08031	3.9
123.11692	10.0
125.05979	3.1
125.09613	3.7
127.03901	4.3
127.07542	19.4
128.06226	3.8
129.07002	3.5
131.08549	3.4
133.06483	7.9
133.10133	4.5
135.04456	5.5
135.11678	3.2
137.05968	6.2
137.13240	11.6
139.03880	1.8
141.11511	1.1
142.07787	3.5
143.08568	2.1
145.06505	3.7
145.10040	1.3
146.07224	1.8
147.04390	11.4
147.08083	4.5
147.11650	3.0
148.05164	3.9
149.02322	2.4
149.05942	4.4
149.13240	3.0
151.03888	14.1
151.07536	5.0
153.05420	7.1
153.12764	2.0
157.06432	2.4
157.10149	3.2
159.08092	3.3
160.05183	3.5
161.05972	28.9
161.07277	2.3
161.09613	10.9
163.03923	19.0
163.11174	1.3
163.64397	2.6
164.04640	2.5
165.05565	5.8
165.06859	1.6
165.12740	1.5
167.07042	1.5
169.08607	7.2
170.07295	2.1
171.06538	4.6
171.08032	3.6
172.72867	1.1
173.05975	3.3
174.06746	3.9
175.03897	3.6
175.07504	7.2
175.11169	3.5
176.04660	3.6
176.08287	1.6
177.05475	7.0
182.15407	3.8
185.06023	2.6
185.09604	5.7
187.03897	3.1
187.07545	2.8
188.04697	1.3
188.08218	2.1
189.05463	14.7
189.09132	18.3
191.03404	9.2
191.06984	5.4
191.10614	1.3
191.17963	1.5
192.04210	12.1
193.04982	22.1
193.08601	1.3
195.06523	7.5
195.08119	2.0
198.06792	3.2
199.07494	2.8
199.18005	1.1
201.05437	15.8
201.16467	1.2
202.06224	7.0
203.07021	8.8
203.10655	18.4
205.08521	1.5
207.10158	1.7
210.14891	3.8
213.09113	12.8
213.17775	3.2
215.06955	6.8
216.07698	2.7
217.05098	1.8
217.08611	20.8
221.04419	3.4
230.05840	6.5
231.06667	1.9
231.10155	50.4
232.10480	2.7
233.08173	1.2
235.09717	4.2
235.16980	1.7
241.08629	8.8
249.11250	13.1
259.09665	90.7
260.09891	2.7
277.10706	100.0
277.25150	6.8
278.11057	2.3
283.59985	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	2.4
68.98319	1.8
69.03424	2.2
70.92494	3.0
70.92834	2.1
71.04991	2.6
81.03414	5.6
82.98084	1.2
82.99845	2.5
85.02904	2.2
97.02869	2.4
99.04495	1.5
100.00088	1.6
101.00870	26.2
109.02872	4.3
113.00838	3.9
115.02421	5.1
118.01134	2.8
119.01920	94.7
120.02022	2.9
121.01643	3.8
125.96527	1.4
127.02408	3.2
131.01904	31.7
133.03470	11.9
133.76962	1.4
137.02965	27.4
142.03488	2.5
143.01886	21.9
145.03471	22.7
147.04976	1.4
149.02950	4.7
151.04541	2.2
155.01910	13.1
156.02666	2.6
157.03468	34.9
159.01364	4.6
159.04973	1.7
160.02182	3.2
161.02959	100.0
162.02983	2.2
163.04524	4.4
167.01894	5.3
169.03453	2.2
171.05060	3.9
173.02960	31.6
174.03253	1.3
175.04527	30.2
179.04024	4.7
179.63469	1.3
183.05002	1.6
184.02161	1.5
184.04495	3.6
185.02971	27.7
187.03036	1.9
187.04529	9.8
189.04301	2.5
189.06070	4.5
191.04030	11.4
197.02940	3.6
199.04526	4.6
201.06082	4.7
203.04004	23.3
205.05591	8.4
217.03773	2.0
217.05522	6.9
221.05110	4.8
227.04056	4.1
235.06641	2.9
245.05034	12.4
253.07646	2.7
259.06662	3.7
263.06125	2.7
277.07690	91.3
278.08057	2.1
295.08746	63.2
296.09152	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	2.4
56.96553	3.5
58.06577	1.0
58.99862	1.0
65.09219	0.9
69.03426	3.6
70.06583	2.5
70.70824	1.2
70.71161	2.0
71.04989	1.8
74.06054	1.0
76.05132	1.1
77.00906	1.9
79.00632	1.0
81.03425	6.3
81.07035	1.3
82.06583	1.2
82.99834	2.1
84.04493	1.5
84.08143	2.8
85.02905	4.9
86.09702	1.7
86.99307	1.1
87.10024	1.4
89.28378	0.9
95.01918	1.2
97.02880	2.7
98.06023	1.1
98.97575	1.0
99.04436	2.4
101.00880	18.7
105.00371	2.6
107.04997	0.9
109.02879	5.6
110.07096	0.8
113.00896	3.1
115.02396	4.4
116.07078	1.1
116.98659	0.9
118.01147	3.1
119.01919	100.0
120.02080	2.0
120.08112	1.9
121.01635	3.3
127.03993	0.8
131.01903	25.4
133.03484	9.6
134.99641	1.1
136.02190	1.3
137.02957	37.3
138.03084	1.3
139.02556	2.9
139.03815	1.1
142.03500	3.3
143.01898	18.9
145.03470	15.6
146.99681	0.9
147.01343	1.9
147.03203	1.5
147.05017	1.1
149.03035	5.5
151.04512	3.2
153.01840	1.0
155.01894	10.0
156.02649	1.6
157.03459	28.3
159.01395	2.9
159.05017	1.7
160.02177	3.1
160.04523	1.1
161.02959	90.7
162.03064	3.0
163.04634	5.0
167.01901	3.1
169.03470	1.7
171.03340	1.4
171.05081	2.4
173.02960	27.2
175.04521	31.6
176.04791	0.9
178.03226	1.2
179.04066	6.9
179.10741	1.1
183.05022	2.1
184.04536	4.9
185.02960	24.9
185.04602	1.7
186.03229	1.2
187.04520	11.0
189.04410	1.8
189.06093	4.1
189.96860	0.9
191.03954	6.9
196.04556	1.3
197.03024	2.4
198.06061	1.2
198.96700	0.9
199.04497	4.9
201.06087	5.1
203.02258	1.9
203.04019	19.1
205.03871	1.5
205.05556	6.1
208.04515	1.1
209.03027	1.4
211.00932	1.1
215.03999	1.7
217.05482	5.2
221.05058	3.9
223.04726	0.9
227.04034	1.9
234.99152	1.5
235.06624	2.5
235.16930	3.1
245.05116	7.4
249.02815	1.6
259.06659	4.8
259.13708	1.1
263.06216	2.7
272.04395	2.1
277.07697	81.5
277.17892	3.1
278.07901	2.2
295.08755	63.1
296.08887	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	277.032
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	3.5
69.96826	12.1
73.47010	2.5
81.03409	6.0
85.02911	3.4
88.39391	2.3
89.85885	2.3
96.15828	2.1
98.21420	3.7
98.97562	2.8
101.00893	17.0
109.02879	4.9
113.00886	3.1
113.12041	2.4
118.01071	4.7
119.01924	78.1
131.01909	6.0
133.03499	11.8
137.02968	19.8
143.01878	9.8
145.03452	11.5
151.04504	2.7
155.01886	3.3
156.02603	3.2
157.03458	27.7
159.01315	2.9
160.02158	4.5
161.02959	43.1
163.02789	2.6
163.04527	4.6
171.04959	3.0
173.02922	5.3
175.04539	29.1
179.04012	3.6
183.05006	2.5
185.02974	16.2
187.04497	5.7
191.03990	3.4
199.04535	7.3
201.06084	4.7
203.03944	12.7
217.05554	8.7
245.05049	7.7
259.06668	4.4
277.03152	9.7
277.07639	53.8
295.08755	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.5
56.96300	5.3
56.96564	93.0
57.03434	6.2
60.98881	3.6
61.02925	8.1
67.05455	4.1
69.03415	15.7
69.31110	3.4
70.06593	7.3
70.88307	8.6
70.88639	4.8
70.98117	8.5
73.02922	10.8
74.00632	6.0
74.06075	4.0
80.00504	4.5
81.03419	10.3
84.08134	10.1
84.96037	14.3
85.02892	29.8
95.19667	4.8
97.02879	16.8
98.97581	100.0
100.11208	4.7
100.99149	5.4
101.00876	16.2
110.97553	21.2
112.99123	9.2
116.07076	8.3
116.98627	67.4
119.01915	63.3
120.01149	16.1
127.03936	6.5
128.98590	38.7
130.12271	6.2
131.00162	20.8
131.01886	9.7
133.01730	9.8
133.03448	13.5
134.99677	28.2
137.02942	13.8
138.05476	4.5
140.98511	5.2
143.00130	7.7
143.01917	10.1
144.13768	6.7
145.01695	4.5
145.03430	15.1
146.99660	41.6
149.01202	24.4
151.02722	9.4
155.01846	5.7
157.03400	19.1
158.99670	25.1
159.05128	4.1
161.01254	14.2
161.02950	57.5
162.99152	3.9
163.02740	13.4
163.04527	6.1
165.00734	15.6
170.99654	11.4
173.01385	6.2
173.02995	16.2
175.02782	12.6
175.04486	18.1
176.08223	33.4
177.00714	31.9
177.04318	6.4
178.04924	9.3
179.03999	5.0
182.54219	5.2
183.04166	7.1
185.03050	6.5
188.03789	5.6
189.00786	19.2
191.02315	6.1
192.04747	8.2
193.03822	7.4
196.06725	6.5
203.02315	6.4
203.04024	10.3
207.01743	9.6
213.06842	4.0
214.06258	5.0
215.04094	3.8
217.03784	5.4
219.01752	37.1
232.07195	17.9
235.04814	6.4
237.02835	72.4
242.03058	5.0
245.05122	7.7
255.03925	13.0
259.06818	4.4
277.02890	8.7
277.07507	16.8
277.09711	7.0
277.17694	5.1
295.06729	24.3
295.08929	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	277.008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25875	4.8
56.96558	6.2
57.07072	8.2
71.57666	9.7
81.03408	9.5
98.97566	40.8
99.04458	5.4
99.05474	5.8
101.00871	10.8
103.28690	5.6
109.02896	5.9
116.98606	49.4
118.01083	7.3
119.01922	83.5
131.01906	9.2
133.03502	10.4
134.99667	40.9
137.02972	36.7
142.03740	6.3
143.01910	15.5
143.22269	4.9
145.03519	11.6
153.00694	5.0
156.83374	4.7
157.03491	36.2
159.01324	6.3
161.02957	56.6
163.03905	43.3
169.10161	5.2
175.04561	36.1
177.00963	22.7
185.03004	13.8
187.04506	9.7
199.04556	8.6
201.06107	11.2
203.03964	13.9
210.95973	6.8
217.05431	6.5
219.01978	22.2
235.16963	15.5
236.99466	6.7
240.98628	5.5
245.05118	6.2
250.99309	6.5
258.99744	24.7
272.17184	5.4
276.97604	8.4
277.00732	48.6
277.05099	7.2
277.07886	35.7
294.98071	7.9
295.08875	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75673	1.3
55.01854	4.0
55.05508	7.4
56.05038	27.8
58.99586	34.2
59.16579	1.4
59.99182	1.2
67.05173	2.2
67.05506	32.8
68.05006	1.9
69.07064	13.8
70.06581	3.1
71.04976	4.5
71.09982	2.2
71.10344	2.7
73.01130	4.5
74.00655	6.0
76.02222	17.4
79.05491	15.0
80.05001	1.4
81.07057	10.3
82.06589	2.0
83.08616	3.7
85.01118	6.2
85.06528	3.2
86.00648	39.4
86.99050	23.9
87.02705	6.5
88.02216	4.3
88.04001	7.5
89.78664	1.3
91.05480	23.7
93.07043	40.6
95.04967	4.3
95.08607	13.5
97.01120	38.7
97.06535	6.5
99.02678	3.0
100.02206	1.9
105.00105	8.4
105.07008	3.0
107.08586	10.0
109.06543	2.5
109.10152	26.0
110.06014	1.7
110.09673	1.5
111.02657	2.5
111.08067	4.1
112.02172	1.8
113.00538	2.6
115.05399	1.5
116.05316	3.0
117.06983	5.3
119.08585	7.7
120.01167	2.4
123.02626	1.9
124.11245	1.3
125.04194	4.8
127.05758	1.8
130.06532	1.9
132.01147	34.5
132.99524	4.7
133.10101	2.2
135.08038	12.2
136.11224	3.0
137.09589	12.4
141.07297	6.6
151.05785	8.7
154.12259	32.1
155.10719	2.6
160.09441	1.5
164.79605	1.4
167.08917	1.9
169.06834	6.0
172.11995	1.7
172.13345	16.9
173.11778	2.9
175.05803	1.4
177.07321	6.0
180.05786	1.3
194.10033	1.6
195.08395	13.2
204.61209	1.2
211.07887	2.9
212.11026	52.2
213.09421	6.6
223.07866	8.3
228.61861	1.3
230.12115	30.8
258.09146	2.1
258.11618	24.4
259.09952	18.2
262.74860	1.4
276.12631	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03942	2.2
55.01862	3.2
55.05510	12.2
55.78168	0.8
56.96548	1.9
57.03435	8.5
57.07066	1.1
67.05502	18.5
69.07067	9.9
69.61547	6.6
70.06561	1.4
71.04986	2.2
71.08613	0.8
79.05490	19.7
80.39432	0.8
81.07052	19.2
83.04965	1.3
83.08619	5.9
85.06533	2.5
88.07634	1.9
91.05478	43.2
93.07042	19.8
95.04953	3.5
95.08601	14.5
97.06523	2.6
97.10156	1.8
99.08091	1.4
103.05448	2.4
105.07026	62.1
106.08627	1.2
107.04936	3.6
107.08589	13.1
109.06544	3.9
109.10146	3.6
111.08059	1.6
117.07008	15.2
119.01911	0.9
119.07706	1.9
119.08575	39.7
120.08923	1.2
121.06490	2.7
121.10148	7.0
123.08055	2.3
123.11622	1.0
128.06171	1.0
128.63383	0.9
129.07013	7.7
130.07750	1.4
131.08566	19.2
133.06511	1.0
133.09117	1.6
133.10132	32.3
135.08035	3.6
135.11685	4.3
137.09631	1.1
141.06949	1.9
143.08559	6.7
145.10106	16.9
147.08057	1.7
147.11681	29.7
149.09622	8.8
149.13148	0.9
155.08522	1.4
157.10123	4.6
159.11685	13.5
161.09552	2.3
161.13264	7.7
163.11165	3.5
163.32196	0.9
169.10196	2.6
171.11662	2.5
173.09731	1.3
173.13268	6.4
175.11171	1.7
175.14841	2.3
177.12776	1.5
179.10768	1.2
183.11737	2.6
185.13217	12.5
186.13524	0.9
191.14246	1.1
197.13252	2.5
201.12752	1.3
201.16383	3.0
203.14339	8.0
211.14818	1.1
219.13924	1.1
219.17392	4.3
229.15889	1.0
229.19508	2.8
233.15788	0.9
239.17899	6.7
257.18991	11.8
275.20053	100.0
275.27686	9.0
276.20355	2.1
293.14056	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03963	2.6
55.01869	3.0
55.05515	13.9
57.03425	5.7
67.05508	16.1
67.58199	2.4
69.07057	8.7
69.47671	20.6
75.86211	2.4
79.05493	17.6
81.07055	18.7
81.65216	2.5
83.08619	6.9
91.05482	41.9
92.14209	2.5
93.07059	18.2
95.08602	13.5
105.07032	56.4
107.05017	2.2
107.08594	7.8
109.10154	6.6
117.07013	8.2
119.07782	4.2
119.08588	41.4
121.10131	4.9
129.06999	3.5
131.08604	13.5
133.10139	28.5
135.11638	3.9
143.08546	5.2
145.10104	10.7
147.11658	28.2
149.09604	5.7
149.13269	2.7
157.10136	2.7
159.11717	10.1
161.13240	9.2
163.11163	4.0
173.13321	5.0
185.13242	9.3
197.13156	2.5
203.14346	5.6
223.28838	2.3
239.17920	2.9
257.18985	8.8
275.20053	100.0
276.20313	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	275.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05170	1.0
53.00295	1.4
53.03946	1.3
55.01855	3.1
55.05508	17.6
57.03418	1.2
57.07050	3.8
57.44087	0.9
65.03922	1.3
67.05499	22.6
69.07062	14.6
69.50179	3.3
69.50614	4.0
71.04985	2.7
71.08660	1.1
77.03910	0.9
79.05488	24.2
81.03390	1.1
81.07049	23.6
82.70721	0.9
83.04955	2.9
83.08617	8.6
85.06525	2.7
88.07668	1.8
89.07945	1.1
91.05476	48.4
92.32835	0.9
92.83530	1.1
93.07041	26.8
95.04947	5.8
95.08600	20.7
97.06518	3.3
97.10194	1.4
98.20686	1.8
98.43746	1.0
103.05485	2.0
105.07024	68.8
106.07302	1.0
106.08610	2.3
107.04942	3.6
107.08573	18.8
109.06495	3.1
109.10133	7.0
111.08064	1.4
113.09659	1.1
115.05511	1.0
117.07007	12.7
118.07864	1.1
119.08574	42.9
121.06476	4.2
121.10116	8.1
123.04431	6.4
123.08058	3.3
123.11687	3.1
125.09670	1.2
129.06993	3.6
131.08551	17.5
133.06468	1.5
133.09114	2.2
133.10123	43.2
135.08083	3.3
135.11697	7.6
137.09605	1.6
141.06932	1.5
143.08537	3.4
145.10106	16.2
147.08035	2.3
147.10489	1.7
147.11674	30.1
149.09628	5.7
149.13264	4.9
151.11185	2.0
153.05441	4.1
155.08476	2.1
157.10114	2.6
159.03036	0.9
159.07954	1.1
159.11670	13.0
161.09598	2.1
161.13249	9.2
163.11171	4.0
163.14790	1.1
167.10747	1.0
169.10138	1.9
170.75099	0.9
171.11697	3.9
173.09645	1.1
173.13263	7.9
175.11217	1.0
175.14792	2.2
177.12781	2.8
179.14322	0.9
181.99054	1.0
183.11710	2.1
187.11208	1.0
187.14838	1.8
191.14325	1.3
193.12199	1.2
197.13208	3.5
201.12767	2.0
201.16388	0.9
205.12201	1.3
215.17798	1.3
219.13789	1.3
229.19560	2.0
239.18053	4.7
247.20491	2.7
257.18973	10.2
275.09091	3.1
275.20044	100.0
275.27567	8.0
276.20392	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	275.2004
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03938	3.4
55.01860	5.7
55.05271	1.7
55.05513	22.4
65.03925	2.8
67.05167	2.6
67.05500	27.4
69.03414	1.8
69.07066	13.5
69.54411	1.6
69.97406	1.5
70.88060	3.2
70.88395	3.3
71.04982	3.4
79.05066	2.4
79.05488	29.5
79.66325	1.5
81.07056	33.6
83.04986	2.8
83.08585	5.8
85.06525	2.7
91.04903	2.5
91.05474	49.5
93.07049	25.3
95.04971	8.0
95.08584	17.6
97.06523	6.0
97.10130	3.3
105.07025	71.2
107.04939	6.1
107.08591	15.5
109.06508	7.0
109.10155	9.3
109.48455	1.6
117.06991	14.9
119.07793	3.1
119.08579	39.3
121.06490	3.6
121.10127	11.9
123.08083	4.1
123.11713	3.1
125.09550	1.7
129.07016	3.1
131.08548	18.5
133.10129	46.9
135.08023	4.6
135.11676	5.9
137.09619	5.9
143.08565	3.0
145.10086	13.8
147.11671	30.1
149.09616	9.0
149.13332	1.8
151.11122	3.5
155.08525	2.4
157.10132	3.1
159.11662	11.5
161.13251	7.4
163.11192	6.8
165.12772	4.5
169.10153	2.9
171.11711	4.7
173.13272	5.2
175.14812	2.6
177.12778	4.0
178.23703	1.9
183.11629	3.5
187.14822	1.9
191.14128	1.7
197.13281	4.5
201.12560	2.0
219.13818	2.3
229.19508	5.8
233.15305	1.8
239.17934	8.9
247.20529	3.6
257.18958	10.7
275.20047	100.0
276.20413	4.5
291.30975	1.8
299.19464	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	Dicranin
Peak:m/z	Relative Intensity
55.01870	3.0
55.05514	16.0
67.05508	20.1
69.07056	9.8
69.42369	2.3
71.58685	2.4
79.05490	21.6
81.07054	23.6
83.04983	2.5
83.08623	7.2
91.05479	43.4
93.07052	28.4
95.04960	5.2
95.08609	17.0
97.06541	5.7
97.10165	3.8
103.05460	2.2
105.07025	44.5
107.04898	3.7
107.08589	20.2
109.06500	4.1
109.10172	11.1
115.05476	2.3
117.07040	11.8
119.06064	1.9
119.08585	37.7
121.06499	3.7
121.10132	9.5
123.08037	4.2
125.09657	4.4
128.70728	2.2
129.07021	5.6
131.08571	14.1
133.10126	33.8
135.08075	5.7
135.11674	5.4
135.75948	2.2
137.09616	5.4
143.08508	3.1
145.10130	19.9
147.11685	18.0
149.09618	17.2
149.13318	2.8
151.11195	4.7
155.08539	3.9
157.10170	3.8
159.11707	10.0
161.13240	8.4
163.11189	8.5
171.11671	4.0
173.13284	5.6
175.11275	2.6
177.12714	4.9
183.11743	3.6
197.13185	3.4
202.19391	2.2
229.19563	3.8
239.17920	13.9
247.20589	3.4
257.19037	17.3
275.20050	100.0
275.27686	10.8
276.20673	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	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
55.01865	2.2
55.05512	12.5
57.03422	4.2
57.07072	3.1
67.05509	13.3
69.07071	8.9
69.38817	3.9
69.39240	7.7
70.06582	4.5
71.04970	1.8
71.06911	1.6
79.05495	15.8
80.13196	1.2
81.07055	12.7
83.08643	7.8
85.06547	1.7
88.07633	4.1
89.07918	1.5
91.05484	42.8
93.07046	14.6
95.04945	2.4
95.08607	11.9
97.06491	2.2
97.10166	1.7
99.08067	1.4
102.09156	1.9
103.05485	2.3
105.07034	52.2
106.07300	1.4
106.08669	3.3
107.08591	9.0
109.06516	2.8
109.10165	4.2
109.60335	1.3
111.08089	1.4
117.07009	11.2
119.08583	39.5
120.08979	1.3
121.06490	2.2
121.10130	5.2
129.06987	3.0
131.08574	14.2
133.10129	27.9
135.11703	3.5
137.09572	1.3
141.07021	1.5
143.08589	1.9
145.10127	12.8
147.10513	1.8
147.11681	32.2
149.09602	3.6
157.10092	4.2
159.11684	12.2
161.13261	8.5
163.11119	2.5
169.10126	2.1
171.11659	3.6
173.13249	4.1
175.14851	1.4
183.11737	2.7
185.13284	5.0
197.13313	2.1
203.14302	4.2
211.14748	1.1
214.55656	1.3
219.13776	1.8
219.17540	1.4
231.24950	1.5
239.18002	3.5
257.19086	9.2
257.26608	4.4
265.38348	1.3
275.20065	100.0
275.27756	41.2
276.20367	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	275.2005
Annotation	Dicranin
Peak:m/z	Relative Intensity
51.90283	2.3
53.03923	4.3
55.01856	6.1
55.05508	24.9
57.03423	2.2
67.05503	35.5
69.07072	14.8
70.71880	5.8
71.04977	4.4
79.05488	49.0
81.07065	27.3
83.04948	2.9
83.08609	6.0
83.74370	2.0
91.05476	49.7
92.90212	2.1
93.07045	30.0
95.04967	6.8
95.08630	11.8
97.06499	3.1
97.10159	5.3
102.25844	2.2
103.05496	3.1
105.07030	69.9
107.04951	23.6
107.08587	33.4
109.10165	15.3
111.08070	3.3
117.07014	15.3
119.08577	40.9
121.06490	2.5
121.10149	11.4
123.08047	3.6
123.11686	5.3
125.09596	4.6
129.07010	3.5
131.08568	18.1
133.10130	35.0
135.08032	4.3
135.11632	2.5
143.08527	3.2
145.10149	14.0
147.11678	33.5
149.09625	43.2
154.41269	1.9
157.10092	3.4
159.11673	12.0
161.13275	8.9
163.11127	3.0
171.11681	2.4
173.11836	2.8
173.13206	6.1
174.04480	2.2
175.14983	2.3
183.11720	3.4
187.11232	2.6
187.14809	2.5
197.13319	2.8
211.14706	2.4
229.19563	8.0
239.17914	5.3
247.20695	3.8
257.19064	15.1
275.20059	100.0
275.27890	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	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.07909	1.4
53.03942	4.7
55.01873	13.0
55.05509	19.7
57.03410	1.8
57.07066	3.4
61.70012	1.4
63.31041	1.4
65.03947	1.8
67.05502	33.5
69.03404	1.5
69.07068	17.3
69.07423	2.3
69.48029	1.5
71.04974	3.2
71.58913	3.2
71.59317	1.8
72.40218	1.5
74.24800	1.7
79.05489	34.0
81.03411	5.9
81.07053	31.0
83.04971	5.1
83.08620	11.8
85.06536	2.8
91.05481	43.2
93.07044	26.9
94.05787	1.7
95.04966	12.7
95.08602	16.1
97.06513	8.1
97.10170	4.6
103.05446	2.0
105.07035	50.4
107.04954	21.6
107.08601	19.2
109.06511	9.8
109.10164	9.6
111.08064	2.7
117.06994	15.8
119.07789	3.1
119.08587	39.6
119.09418	1.5
121.06522	10.8
121.10133	9.5
123.04459	1.7
123.08051	11.5
123.11647	2.6
125.09631	6.2
129.07005	3.0
130.07838	1.8
131.08582	19.8
132.81317	1.5
133.06522	3.4
133.10129	33.6
135.08043	12.2
135.11684	5.3
137.09615	5.3
143.08534	3.8
145.10115	17.5
146.48705	1.6
147.08057	3.2
147.11661	15.8
149.09612	17.2
149.13300	1.8
151.11243	3.9
157.10104	3.4
159.11694	10.2
161.09625	3.2
161.13239	6.0
163.11180	6.7
165.12740	2.6
169.10103	4.5
171.11739	2.6
173.13278	5.5
175.11197	2.7
175.14769	2.1
177.12735	7.3
183.11652	5.4
187.11252	3.7
191.14310	4.9
193.12297	2.0
197.13194	3.0
215.18109	2.5
219.13968	2.3
227.77055	1.6
229.19514	7.0
233.15361	2.1
239.17908	4.3
247.20357	3.7
255.28979	1.9
257.19009	16.1
257.88321	1.5
275.20062	100.0
275.27652	9.2
276.20505	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	275.2006
Annotation	Dicranin
Peak:m/z	Relative Intensity
51.02365	1.2
53.03930	3.5
54.51798	1.0
55.01867	7.3
55.05510	38.3
57.03436	2.5
57.07057	1.1
59.05008	1.2
65.03934	1.4
67.05503	46.5
69.03430	2.1
69.07069	14.1
69.35231	3.4
69.35652	7.9
71.04983	4.3
74.78717	1.1
79.05491	61.7
81.03387	1.8
81.07055	36.1
83.04979	3.7
83.08605	8.6
85.06513	1.1
85.53581	1.1
90.96648	0.9
91.05481	57.8
92.05781	1.0
93.07043	36.3
95.04967	7.7
95.08609	15.0
97.06524	2.5
97.10166	6.0
103.05449	3.7
105.04542	1.5
105.07027	78.6
107.04949	34.0
107.08593	35.3
109.06506	5.5
109.10159	19.4
111.08092	1.9
112.88702	1.0
115.05497	1.7
116.06207	1.3
117.07023	21.1
119.08578	47.3
121.06522	3.2
121.10127	13.5
123.08057	2.2
123.11691	4.1
125.09633	5.9
129.07001	4.5
130.07780	1.6
131.08562	21.0
133.06467	1.1
133.10129	39.9
135.08052	6.6
135.11684	4.4
137.09599	1.5
143.08548	2.5
145.10112	20.7
147.08029	1.8
147.11687	27.6
149.09619	52.9
149.13159	1.5
153.09111	1.5
155.08536	1.4
155.10652	1.3
157.10112	3.1
159.11688	12.3
161.09590	1.9
161.13232	7.4
163.11162	3.7
165.12756	1.5
169.10075	2.3
169.12241	1.6
171.11653	3.4
173.11755	3.8
173.13246	4.4
175.11206	2.1
177.12746	2.2
183.11726	1.5
185.13158	1.3
187.11177	2.9
187.13234	1.4
187.14812	2.2
197.13226	2.4
204.27377	0.9
211.14636	1.3
213.16348	1.0
215.17943	2.7
223.32341	1.0
229.19519	10.6
233.15393	2.0
239.17912	3.6
247.20439	1.4
257.18958	19.1
275.20062	100.0
276.20340	3.2
287.55249	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
55.01863	3.4
55.05509	12.6
57.03431	3.2
57.07063	4.6
57.78033	1.3
65.03966	1.8
66.08900	1.5
67.05503	21.0
69.03414	1.6
69.07066	12.4
70.06571	5.6
71.04975	4.5
71.08595	1.5
71.10960	3.5
73.06548	1.6
79.05486	23.0
81.07056	28.1
83.04956	3.0
83.08588	4.6
85.06525	2.8
88.07631	7.5
89.07961	3.4
91.05476	48.2
93.07036	22.2
95.04962	5.7
95.08606	13.5
97.10146	2.4
105.07027	58.1
106.08665	2.7
107.04942	6.4
107.08569	17.6
109.06520	6.2
109.10164	7.4
115.05470	1.8
117.07010	13.4
118.07814	1.7
119.08569	39.6
121.06475	4.2
121.10141	9.4
123.08064	5.2
129.06935	2.3
131.08569	16.4
133.10124	41.5
135.08055	4.4
135.11699	5.8
136.86282	1.4
137.09610	2.2
142.07832	1.6
143.08565	2.7
145.10110	17.4
147.08009	2.1
147.11682	28.2
149.09615	6.5
149.13214	1.5
151.11171	1.7
155.08537	2.1
157.10095	4.1
159.11696	12.5
161.09660	1.6
161.13255	7.6
163.11171	3.6
169.10120	2.5
171.11702	3.4
173.13260	6.6
175.11295	1.6
177.12785	3.2
183.11719	3.5
185.13293	2.7
187.14830	1.9
197.13295	3.2
203.14369	2.6
211.14746	1.4
229.19522	3.0
239.17786	3.7
247.20596	2.0
250.28439	1.6
257.19080	9.7
257.26736	3.3
275.20047	100.0
275.27734	55.7
276.20374	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	275.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.0
53.41181	1.5
55.01858	3.4
55.05516	17.3
57.07074	1.5
58.07269	1.4
58.87311	1.2
65.03936	1.6
67.05505	19.1
69.07069	9.8
69.92140	6.8
71.04993	3.1
76.95630	1.2
79.05069	1.8
79.05493	18.2
81.07057	19.0
83.08601	5.1
85.06552	1.7
91.05483	44.1
93.07042	16.5
95.04975	2.3
95.08608	9.8
97.06506	3.4
97.10161	2.5
103.05486	1.7
105.07030	69.1
107.04966	3.2
107.08573	13.5
109.06516	1.8
109.10132	4.0
111.06339	1.3
111.08117	1.4
117.07023	9.9
118.95947	1.5
119.08580	36.2
121.00482	3.4
121.06493	1.9
121.10136	6.6
125.09670	1.5
129.07034	2.7
131.08575	16.7
133.09119	2.1
133.10129	42.1
134.10457	1.8
134.50450	1.5
135.00398	1.3
135.07939	1.5
135.11690	3.3
143.08568	3.1
145.10123	17.8
147.08041	2.0
147.11690	29.3
149.09593	5.5
155.08577	2.2
157.10127	3.9
157.90088	1.6
159.11668	10.1
161.09622	1.3
161.13274	5.7
163.11180	2.7
169.10068	1.8
171.11690	4.3
173.13268	4.2
175.11038	1.5
177.00269	2.1
177.12802	1.7
183.11772	2.2
185.13251	1.6
187.11302	1.9
197.13284	2.2
215.18138	1.7
239.17911	4.3
251.30006	1.3
252.04706	1.6
254.49252	1.5
257.18967	9.5
275.20068	100.0
275.27762	11.8
276.20383	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03942	1.4
55.01857	2.8
55.05513	17.4
57.03423	3.0
57.07080	1.2
58.80768	1.0
65.03946	1.3
65.10015	1.1
67.05505	21.7
69.07069	11.2
70.06570	0.9
70.84282	3.5
71.04983	3.0
75.82289	1.0
79.05495	27.8
81.07058	30.5
81.36697	1.0
83.04990	2.9
83.08620	4.9
85.06534	1.7
87.55242	1.1
90.50162	0.9
91.05481	52.3
91.32939	0.9
93.06473	1.6
93.07040	24.3
95.04961	5.3
95.08050	1.6
95.08605	17.1
97.06516	3.3
97.10184	2.4
103.05489	2.1
105.07032	71.4
107.04958	6.2
107.08593	17.6
109.06509	6.1
109.10152	6.6
115.05462	1.5
117.07009	11.8
119.08578	39.0
121.06544	4.8
121.10119	8.4
123.08101	5.6
123.11697	2.1
129.06979	2.8
131.08557	18.9
132.09366	1.4
133.10130	51.8
134.10405	1.3
135.08046	6.0
135.11734	5.2
137.09587	2.4
141.07028	1.1
143.08559	4.0
145.10114	15.9
146.10773	1.5
147.08122	2.7
147.11687	23.4
149.09602	7.6
149.13214	1.0
151.11105	1.3
153.43707	1.3
155.08524	1.6
157.10103	3.0
159.11662	9.3
161.09578	1.9
161.13278	5.9
163.11154	3.4
165.12775	1.0
169.10114	2.4
171.11696	2.8
173.13284	5.9
175.11198	1.2
175.14871	1.7
177.12752	2.1
183.11678	3.5
185.13235	2.2
187.11131	1.3
197.13274	2.4
201.12703	1.5
201.16397	1.9
203.14310	1.8
215.14339	2.5
219.17256	1.0
229.19481	2.2
233.15340	1.6
239.18033	5.7
247.20576	3.0
257.18958	9.1
275.20062	100.0
275.27722	9.3
276.20352	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03939	2.0
54.17461	0.8
54.37304	0.9
55.01871	2.2
55.05513	14.2
56.96546	1.0
57.03430	1.3
57.07051	1.1
65.03928	1.2
67.05170	1.4
67.05502	14.0
69.07066	9.6
69.71112	0.9
70.18559	2.8
71.04996	1.2
79.05490	16.8
81.06593	1.2
81.07062	21.2
83.04973	2.2
83.08641	6.8
85.06522	1.7
88.07608	1.1
91.05479	51.7
93.07041	17.0
95.04971	2.7
95.08610	14.4
97.06538	1.6
97.10145	3.1
98.91476	1.0
103.05433	2.7
105.07030	75.1
106.07296	1.0
106.08652	1.1
107.04926	3.5
107.08594	14.7
109.06518	2.5
109.10167	6.1
111.08062	1.2
115.05466	1.3
117.07007	9.9
119.08576	40.6
121.06494	2.4
121.10150	6.7
123.11661	1.6
129.06996	2.2
131.08566	14.2
133.06480	0.9
133.10129	42.1
134.99731	1.2
135.08035	1.5
135.11674	4.0
137.09618	1.3
141.06941	1.5
143.08531	2.9
145.10124	19.1
147.11696	30.2
149.09612	2.7
149.13251	2.6
155.08557	1.8
157.10089	3.0
158.82074	0.9
159.11713	11.0
161.13239	6.5
163.11148	1.5
163.14799	1.0
169.10143	1.9
171.11653	2.7
173.13235	4.0
175.14827	1.1
177.12770	1.6
177.90306	0.9
183.11685	2.3
185.13301	2.1
197.13246	1.6
201.12833	1.3
203.14336	1.3
203.96365	1.1
215.14493	1.2
219.13707	1.2
229.19510	1.2
239.17902	3.7
257.19012	8.9
275.20062	100.0
275.27676	4.2
276.20486	2.4
286.08160	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.01854	1.7
55.05511	13.9
57.03441	6.3
57.07066	1.7
58.07392	1.0
67.05503	14.4
69.06794	0.9
69.07079	11.5
70.06577	3.4
70.32738	4.1
70.99493	1.0
71.04991	2.2
71.06909	1.3
79.05067	1.4
79.05492	16.2
81.07053	16.6
83.04999	1.3
83.08619	6.8
85.06534	2.1
88.07627	4.9
91.05480	46.4
93.07032	15.7
95.04957	2.8
95.08611	13.1
97.10169	1.4
103.05450	2.5
105.07028	62.7
106.08670	2.9
107.08572	10.4
109.06497	3.1
109.10142	3.8
115.05473	1.4
117.07033	12.0
119.08578	46.7
121.06503	1.3
121.10149	5.5
123.08070	1.1
129.07008	4.3
131.08559	16.4
133.09120	1.6
133.10126	31.9
135.08044	2.1
135.11658	1.8
143.08549	3.9
145.10130	14.4
147.10495	1.9
147.11679	34.5
149.09636	3.2
149.13226	2.0
157.10158	4.9
159.11690	17.7
161.13272	11.4
163.11211	1.9
169.10106	3.0
171.11630	1.6
173.13278	6.1
175.14876	1.2
183.11652	2.6
185.13280	8.9
189.12856	1.2
197.13281	2.1
201.16380	2.1
203.14294	6.7
211.14847	1.4
219.17358	2.9
239.17950	3.9
257.19043	7.2
257.26675	3.6
275.20059	100.0
275.27750	30.4
275.30576	2.1
276.20285	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	16.9
58.04071	4.3
59.04861	1.8
61.93142	1.1
63.22645	1.1
69.04555	20.9
70.06605	2.0
70.62029	4.4
72.04512	16.5
72.08141	4.3
74.02444	12.5
74.06086	12.9
76.05128	35.3
79.05467	1.7
81.07063	6.0
84.04513	2.8
86.03548	5.1
86.07201	2.1
87.07976	2.5
88.07629	29.0
96.05612	18.4
96.08154	1.6
98.09690	3.5
100.08703	1.6
102.05538	16.0
109.45200	1.1
110.07169	2.5
114.06653	20.9
114.09170	4.0
115.07426	10.0
116.08196	7.7
118.05005	11.1
120.06585	2.4
128.08205	7.1
132.10214	1.4
135.07651	2.3
138.10229	6.0
139.11050	2.2
140.11848	3.4
156.11325	57.4
158.12958	1.6
160.07181	6.5
170.96681	1.4
172.09694	9.9
174.12383	47.3
177.08507	1.3
177.09834	8.4
185.88199	1.3
189.12354	5.7
213.17128	2.6
215.13960	1.4
230.15025	3.8
239.14977	1.5
240.13441	4.5
251.41791	1.3
257.16086	94.7
258.16153	1.6
275.17133	100.0
276.17224	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	21.8
55.05513	26.5
56.05027	6.2
56.96567	2.6
57.03434	2.3
57.07074	12.4
58.99590	12.9
59.21232	2.0
61.01134	6.2
64.85327	1.8
65.03926	2.0
65.29745	1.9
67.05502	14.7
68.05020	2.4
69.07075	16.1
70.02953	3.0
70.06567	5.6
70.18899	8.4
71.08632	1.9
72.04506	8.1
73.01142	12.2
74.00658	8.9
76.02218	3.7
79.05489	22.2
81.07061	46.1
81.85902	1.8
82.06559	5.6
82.72049	1.9
83.08620	9.8
84.04499	15.4
85.01139	10.1
85.06506	3.0
86.99040	7.4
87.02702	3.3
88.02190	5.2
90.05562	17.6
91.05470	21.1
93.07041	14.1
95.04958	3.4
95.08604	25.2
97.02888	2.3
98.02412	5.7
98.09696	5.9
98.21443	2.7
99.02657	10.4
100.11253	52.3
104.01686	12.6
105.07022	25.2
107.04974	2.5
107.08579	21.0
109.06519	2.2
109.10150	12.0
112.11227	17.6
115.05852	8.9
116.01669	23.4
116.03442	4.8
116.05325	24.5
117.07024	9.6
119.08587	12.9
121.10173	10.1
123.11711	5.8
124.11216	6.8
126.05519	70.9
129.06996	2.0
131.08553	8.8
133.10121	13.4
135.11714	5.7
137.02336	2.3
137.09605	5.4
138.02721	2.5
141.07338	23.5
143.08871	6.0
144.06570	19.2
145.10115	8.2
147.11690	8.6
149.13269	5.8
154.12277	3.5
157.10170	2.1
158.02708	24.3
158.09985	100.0
159.11652	4.8
161.13275	4.5
163.11150	2.4
163.14821	2.7
169.10176	2.2
172.13324	29.8
173.13284	2.2
176.03746	4.5
177.16348	2.2
193.12428	2.0
198.09428	2.6
215.12111	2.8
240.10509	3.8
257.13171	6.1
257.18954	4.0
258.11572	52.4
275.08258	4.1
275.14227	73.9
275.20023	33.9
275.27286	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	275.0913
Annotation	Phloretin
Peak:m/z	Relative Intensity
53.03938	1.1
55.01858	0.3
55.05503	2.1
57.07069	0.8
67.01862	1.4
67.05502	2.4
69.03442	0.9
69.07070	1.7
69.58789	3.0
71.05011	0.4
77.03937	0.4
79.05502	3.2
81.03404	1.1
81.07040	3.5
83.04971	0.9
83.08585	0.8
85.02903	1.1
85.06530	1.1
91.05480	2.5
93.07051	2.7
95.04963	2.4
95.08609	3.1
97.02876	0.5
97.06529	0.9
99.08135	0.4
105.07029	3.9
107.04951	100.0
107.08602	3.1
108.05286	1.2
109.06512	0.8
109.10153	3.7
109.47063	0.4
111.08102	0.5
115.05482	0.5
117.07018	0.7
119.08569	2.7
121.06498	1.1
121.10129	3.2
122.59131	0.3
123.04436	3.3
123.08105	0.5
123.11720	1.5
125.09640	1.2
127.03922	3.3
131.01860	0.7
131.04945	1.1
131.08575	1.5
132.94180	0.4
133.10165	2.0
135.08057	0.6
135.11685	1.4
137.05968	0.6
137.09633	1.5
143.08553	0.6
145.10126	1.4
147.08084	0.5
147.11688	1.9
149.05989	0.7
149.09663	0.8
151.03888	3.0
151.11179	0.7
157.10077	0.9
159.11697	1.5
161.09648	0.5
161.13275	0.4
163.11174	0.6
165.12790	0.8
169.04956	12.9
169.06364	0.7
171.11713	0.5
173.03076	0.4
173.13277	1.0
175.14795	0.9
181.12262	0.6
187.14888	0.5
189.16495	0.4
191.14247	0.8
201.12689	0.4
204.08954	1.8
207.66217	0.4
245.91902	0.4
247.10782	2.4
257.19055	1.1
257.22522	0.6
275.05722	0.4
275.09698	2.1
275.13382	0.4
275.20215	5.5
275.23779	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0913
Annotation	Phloretin
Peak:m/z	Relative Intensity
53.03951	1.0
55.01856	0.9
55.05511	0.9
56.96558	1.0
67.05479	1.5
69.07058	1.1
69.47471	6.5
69.72782	0.8
79.05492	3.6
81.07058	2.4
85.06541	0.8
91.05476	4.3
93.07030	2.7
95.04977	1.3
95.08579	1.2
97.02864	1.0
98.21474	1.8
105.07022	3.2
107.04954	100.0
107.08606	1.6
108.05278	1.5
109.02850	0.9
109.10085	0.7
113.15142	0.8
117.06956	1.2
119.08581	2.3
121.06485	1.2
121.10188	1.2
123.04427	4.7
127.03891	1.9
128.06221	0.8
129.07033	1.2
131.08534	2.3
133.06505	1.2
133.10139	1.5
135.11728	1.0
137.05966	2.5
145.10126	1.2
147.11630	1.2
151.03883	2.1
158.91397	0.8
159.11671	0.9
169.04979	9.9
184.00545	0.9
185.13287	0.9
197.01144	0.8
232.04254	0.8
257.08212	0.8
275.09457	0.9
275.12976	1.4
275.16846	2.0
275.20142	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	275.0914
Annotation	Fomajorin S
Peak:m/z	Relative Intensity
50.76715	2.9
55.01860	5.5
56.96554	6.9
58.10944	3.3
58.30159	2.9
60.38551	2.8
65.03938	2.7
69.03428	3.6
69.95894	4.2
69.96303	12.9
70.67767	2.5
72.11282	2.5
75.48846	2.7
79.05505	5.0
81.03394	3.2
81.07055	2.6
84.08144	3.1
91.05472	11.3
95.04977	6.7
95.08585	3.2
98.20891	4.3
100.61366	3.3
103.05492	3.1
105.07035	5.8
107.04987	4.4
115.05457	30.0
115.61873	2.7
116.06254	4.8
117.07022	4.9
118.04177	3.8
119.04935	4.0
122.04848	3.0
122.81696	2.6
123.03672	2.7
123.04417	16.3
128.06253	5.3
129.03340	4.1
129.07001	14.6
130.07755	5.4
131.04922	6.9
131.08545	7.1
132.05710	9.7
133.06488	3.6
138.03110	4.6
139.05428	4.8
140.06245	4.8
141.06984	56.4
143.04913	16.3
144.05701	10.8
145.06506	15.4
146.03609	10.0
149.02379	4.0
152.06201	4.3
153.01817	8.2
153.05501	10.0
153.06987	6.2
155.04877	10.2
157.02856	12.1
157.06491	23.6
158.07251	12.0
159.04433	5.6
159.08032	18.1
160.05194	12.7
161.06004	21.5
162.03172	3.4
165.07043	5.7
168.05728	14.2
169.05180	5.0
169.06497	58.8
170.07298	5.3
171.04393	27.3
172.05212	7.4
173.05954	15.4
175.07587	10.1
176.04724	6.3
177.05522	7.2
179.07051	3.9
183.04440	5.6
183.08101	5.5
185.06049	13.9
186.06769	26.1
187.03940	3.1
187.07489	20.9
188.04753	6.5
189.05489	29.3
190.06172	5.0
190.80043	2.9
191.07004	20.2
196.05176	7.1
197.06001	43.1
198.06677	4.1
199.03903	12.8
200.04716	16.8
201.05444	9.5
201.09045	14.4
203.07037	17.0
204.07797	10.1
205.08609	7.0
211.07550	11.6
213.05498	7.2
214.02559	2.7
214.06227	18.6
215.07022	43.2
217.04991	8.9
225.05498	9.0
226.06233	4.5
229.04964	11.6
229.08549	33.8
231.06549	29.0
232.07161	6.5
239.07101	5.0
242.05791	12.3
243.06496	28.5
244.07259	5.4
245.04381	14.2
247.05956	3.7
247.09641	35.3
257.04730	2.9
257.05411	3.3
257.07990	21.5
257.12659	2.8
260.06781	43.3
275.05832	3.2
275.09131	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.2
56.96303	1.1
56.96564	16.7
57.03431	1.1
58.99854	1.3
66.12762	0.9
67.05495	1.4
69.03429	3.4
70.17902	3.8
74.97615	0.9
82.06543	1.1
82.99863	2.6
83.04967	2.5
84.08142	1.7
84.52159	0.8
84.96030	1.2
86.99336	1.0
92.33239	1.0
93.03387	2.0
95.04962	3.9
97.02879	2.6
98.20902	1.9
98.21436	0.9
98.97578	20.2
101.00869	14.4
103.02453	1.6
109.01387	1.7
110.97593	1.2
111.04440	2.2
116.98618	16.0
117.03990	1.5
118.01149	1.5
119.01917	100.0
120.02016	2.4
121.02871	6.1
125.00958	1.3
125.04507	1.3
125.99258	1.2
127.02393	7.0
128.98598	2.8
129.03981	1.0
131.00197	1.1
131.01871	3.8
132.96570	1.0
133.03479	2.9
133.98163	1.8
134.96184	0.9
134.99660	8.9
135.05058	1.1
137.02954	37.3
138.03004	1.3
139.03915	1.7
142.03477	3.2
143.00200	1.2
143.01904	9.0
143.05501	1.1
145.03461	59.7
146.03517	1.4
146.99648	3.2
147.04985	2.4
148.01375	1.1
149.03021	1.2
150.00792	1.1
153.00679	1.8
153.03954	1.8
154.98683	1.6
155.01924	1.6
157.03462	14.0
158.99721	2.6
159.05029	6.2
160.02176	1.1
160.99602	1.4
161.02951	36.1
161.06567	1.1
162.99245	1.7
163.03003	1.6
163.04509	9.7
165.00720	1.0
165.02524	1.0
168.98460	1.5
169.03450	41.8
169.99077	1.6
170.03619	1.7
171.01418	1.9
171.05032	10.8
173.02919	4.1
174.97542	1.3
175.04523	11.8
177.00812	4.0
177.06039	1.9
179.00696	1.2
179.03999	1.9
184.04477	1.6
185.02946	24.5
185.06525	2.0
186.03046	1.2
187.04515	82.3
187.99051	0.9
188.04671	2.9
189.00832	2.3
189.02472	5.7
189.06078	4.1
191.03993	2.7
193.00330	1.4
195.05057	4.1
196.99719	1.3
197.02921	11.2
198.00713	1.0
199.19376	1.0
201.06165	1.5
202.99731	0.9
203.04033	11.5
204.01286	1.1
205.05585	16.3
206.00256	2.9
207.03444	1.4
210.01408	1.3
210.06090	4.2
211.04657	4.2
211.06416	1.1
212.00305	1.9
213.02409	2.6
213.06090	3.4
215.04012	17.3
216.98700	2.5
217.02214	1.7
217.05446	1.1
218.00262	4.1
218.50333	2.0
219.01988	1.8
220.98135	2.0
221.01442	1.2
221.03061	3.0
221.05025	1.5
227.00774	4.0
229.02104	1.3
229.05562	33.0
230.05801	2.0
231.03546	4.1
233.01494	1.2
234.99611	1.7
235.03256	1.9
236.01416	1.6
238.00009	1.3
239.03976	2.9
245.05000	1.1
247.06639	24.5
249.04678	2.8
252.96465	1.6
253.02385	1.1
257.05020	5.2
262.99423	1.3
270.08163	1.6
274.97537	5.2
275.06113	64.6
276.06421	2.5
292.98590	3.3
293.03769	2.1
293.07108	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	275.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.2
56.96303	1.1
56.96564	16.7
57.03431	1.1
58.99854	1.3
66.12762	0.9
67.05495	1.4
69.03429	3.4
70.17902	3.8
74.97615	0.9
82.06543	1.1
82.99863	2.6
83.04967	2.5
84.08142	1.7
84.52159	0.8
84.96030	1.2
86.99336	1.0
92.33239	1.0
93.03387	2.0
95.04962	3.9
97.02879	2.6
98.20902	1.9
98.21436	0.9
98.97578	20.2
101.00869	14.4
103.02453	1.6
109.01387	1.7
110.97593	1.2
111.04440	2.2
116.98618	16.0
117.03990	1.5
118.01149	1.5
119.01917	100.0
120.02016	2.4
121.02871	6.1
125.00958	1.3
125.04507	1.3
125.99258	1.2
127.02393	7.0
128.98598	2.8
129.03981	1.0
131.00197	1.1
131.01871	3.8
132.96570	1.0
133.03479	2.9
133.98163	1.8
134.96184	0.9
134.99660	8.9
135.05058	1.1
137.02954	37.3
138.03004	1.3
139.03915	1.7
142.03477	3.2
143.00200	1.2
143.01904	9.0
143.05501	1.1
145.03461	59.7
146.03517	1.4
146.99648	3.2
147.04985	2.4
148.01375	1.1
149.03021	1.2
150.00792	1.1
153.00679	1.8
153.03954	1.8
154.98683	1.6
155.01924	1.6
157.03462	14.0
158.99721	2.6
159.05029	6.2
160.02176	1.1
160.99602	1.4
161.02951	36.1
161.06567	1.1
162.99245	1.7
163.03003	1.6
163.04509	9.7
165.00720	1.0
165.02524	1.0
168.98460	1.5
169.03450	41.8
169.99077	1.6
170.03619	1.7
171.01418	1.9
171.05032	10.8
173.02919	4.1
174.97542	1.3
175.04523	11.8
177.00812	4.0
177.06039	1.9
179.00696	1.2
179.03999	1.9
184.04477	1.6
185.02946	24.5
185.06525	2.0
186.03046	1.2
187.04515	82.3
187.99051	0.9
188.04671	2.9
189.00832	2.3
189.02472	5.7
189.06078	4.1
191.03993	2.7
193.00330	1.4
195.05057	4.1
196.99719	1.3
197.02921	11.2
198.00713	1.0
199.19376	1.0
201.06165	1.5
202.99731	0.9
203.04033	11.5
204.01286	1.1
205.05585	16.3
206.00256	2.9
207.03444	1.4
210.01408	1.3
210.06090	4.2
211.04657	4.2
211.06416	1.1
212.00305	1.9
213.02409	2.6
213.06090	3.4
215.04012	17.3
216.98700	2.5
217.02214	1.7
217.05446	1.1
218.00262	4.1
218.50333	2.0
219.01988	1.8
220.98135	2.0
221.01442	1.2
221.03061	3.0
221.05025	1.5
227.00774	4.0
229.02104	1.3
229.05562	33.0
230.05801	2.0
231.03546	4.1
233.01494	1.2
234.99611	1.7
235.03256	1.9
236.01416	1.6
238.00009	1.3
239.03976	2.9
245.05000	1.1
247.06639	24.5
249.04678	2.8
252.96465	1.6
253.02385	1.1
257.05020	5.2
262.99423	1.3
270.08163	1.6
274.97537	5.2
275.06113	64.6
276.06421	2.5
292.98590	3.3
293.03769	2.1
293.07108	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	275.0549
Annotation	1,3,5,6-Tetrahydroxy-8-methylxanthone
Peak:m/z	Relative Intensity
52.40197	0.2
53.03951	0.2
55.01865	0.9
56.96560	0.3
58.85886	0.2
63.41232	0.2
65.03936	4.3
68.02736	0.2
68.99783	5.2
69.03403	0.4
69.67879	1.7
79.01875	0.3
79.05479	0.4
81.03420	1.4
81.07027	0.3
91.05439	0.6
93.03403	0.3
95.01328	0.9
95.04988	0.4
97.02881	1.0
98.09718	0.2
98.20832	0.3
103.05457	1.6
104.37378	0.2
105.07045	0.7
107.04945	2.1
109.02878	4.7
111.00814	0.6
111.04444	2.2
115.05431	1.9
117.07011	3.1
119.08613	0.2
120.08114	0.2
121.02862	22.5
121.06472	0.6
123.04428	2.8
125.02357	1.6
126.03157	0.3
127.03921	0.7
127.05397	0.5
128.06207	0.5
129.06969	0.5
131.04916	3.4
133.02838	0.7
133.06468	0.8
135.04434	0.7
137.02365	1.3
139.03894	7.2
143.04979	0.3
144.05666	0.4
145.06476	9.4
147.04382	0.9
149.02333	100.0
150.03127	15.6
151.03908	2.1
153.01859	1.1
153.05467	0.3
155.04909	6.2
155.06047	1.2
157.06453	0.8
159.04416	2.2
161.05974	1.7
163.03885	3.0
165.01854	2.0
166.02618	0.3
167.03424	1.1
172.05124	0.4
173.05980	13.6
174.06290	0.5
177.05455	1.1
179.03386	1.7
179.06990	0.6
183.02806	0.6
183.04407	9.4
184.05051	0.5
187.03920	1.9
191.03372	0.8
191.06998	0.4
200.04675	1.0
201.05457	17.5
202.05772	0.6
205.04993	2.7
211.03886	0.7
212.04733	0.3
219.03014	0.2
219.06516	0.9
229.04945	33.7
230.05298	0.9
239.03351	0.5
244.96971	0.2
247.06004	55.4
248.06374	1.3
257.04440	11.1
258.05054	0.5
275.05472	51.0
276.05780	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66719	0.4
56.96568	2.6
58.99856	1.7
60.42374	0.4
61.83536	0.4
65.03929	1.0
67.05495	1.3
69.03413	1.5
71.57620	0.8
77.00892	1.0
81.03434	0.8
82.99461	0.5
82.99892	1.5
83.04972	1.2
85.02918	0.6
85.82432	0.4
93.03415	1.2
95.04961	1.9
96.83993	0.4
97.02890	1.1
98.97573	2.4
99.02906	0.5
101.00867	12.6
103.02440	2.9
105.00356	0.6
109.01366	0.6
111.04421	1.0
115.02416	1.0
116.98622	2.7
117.03989	2.8
119.01917	100.0
120.02032	1.7
121.02833	3.0
121.03584	0.8
127.02387	6.3
129.03943	0.9
131.01886	2.0
133.03458	1.6
134.99681	1.0
135.05003	2.9
137.02951	40.2
138.02997	0.5
139.03970	1.0
141.03943	1.1
142.03447	2.8
143.01891	4.9
143.05510	0.9
145.03461	55.9
146.03642	1.1
146.99786	0.6
147.01372	1.3
147.05026	1.0
153.00546	0.7
153.03976	1.5
157.03455	6.8
158.03665	0.5
159.05032	17.6
160.04610	0.5
161.02953	13.9
161.06578	1.0
163.04510	11.5
165.02477	0.5
167.01894	0.9
168.00414	0.8
168.05083	1.1
169.03464	32.9
171.01410	2.2
171.05028	6.5
172.99347	0.6
173.02979	2.0
175.04529	4.3
175.99173	0.5
177.00870	1.3
177.06091	8.7
179.03975	2.2
182.06606	1.0
183.04973	0.7
184.04527	0.7
185.02942	14.9
185.06535	1.3
187.04515	55.0
188.04637	1.1
189.00952	0.6
189.02448	9.5
189.06047	1.6
191.00375	0.6
191.03975	1.3
195.05023	2.4
197.02950	7.1
203.00885	0.6
203.02275	0.8
203.04016	11.0
205.01990	0.6
205.05565	13.3
207.03506	4.7
210.06091	2.0
211.04475	2.8
213.02437	3.6
213.05998	2.2
215.00446	1.5
215.03981	11.2
221.03181	3.1
221.04991	1.0
229.05568	23.1
231.03525	8.5
231.07024	0.6
233.01389	1.2
233.05074	1.0
235.03188	0.7
239.04033	1.0
244.98874	0.5
247.06645	15.3
249.04568	2.1
252.00302	0.5
252.94421	0.5
253.99658	0.5
255.02361	0.5
257.05014	2.3
265.41702	0.6
270.08237	0.8
275.02637	2.5
275.06104	44.0
276.06317	1.1
293.03561	1.7
293.07089	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	275.025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66719	0.4
56.96568	2.6
58.99856	1.7
60.42374	0.4
61.83536	0.4
65.03929	1.0
67.05495	1.3
69.03413	1.5
71.57620	0.8
77.00892	1.0
81.03434	0.8
82.99461	0.5
82.99892	1.5
83.04972	1.2
85.02918	0.6
85.82432	0.4
93.03415	1.2
95.04961	1.9
96.83993	0.4
97.02890	1.1
98.97573	2.4
99.02906	0.5
101.00867	12.6
103.02440	2.9
105.00356	0.6
109.01366	0.6
111.04421	1.0
115.02416	1.0
116.98622	2.7
117.03989	2.8
119.01917	100.0
120.02032	1.7
121.02833	3.0
121.03584	0.8
127.02387	6.3
129.03943	0.9
131.01886	2.0
133.03458	1.6
134.99681	1.0
135.05003	2.9
137.02951	40.2
138.02997	0.5
139.03970	1.0
141.03943	1.1
142.03447	2.8
143.01891	4.9
143.05510	0.9
145.03461	55.9
146.03642	1.1
146.99786	0.6
147.01372	1.3
147.05026	1.0
153.00546	0.7
153.03976	1.5
157.03455	6.8
158.03665	0.5
159.05032	17.6
160.04610	0.5
161.02953	13.9
161.06578	1.0
163.04510	11.5
165.02477	0.5
167.01894	0.9
168.00414	0.8
168.05083	1.1
169.03464	32.9
171.01410	2.2
171.05028	6.5
172.99347	0.6
173.02979	2.0
175.04529	4.3
175.99173	0.5
177.00870	1.3
177.06091	8.7
179.03975	2.2
182.06606	1.0
183.04973	0.7
184.04527	0.7
185.02942	14.9
185.06535	1.3
187.04515	55.0
188.04637	1.1
189.00952	0.6
189.02448	9.5
189.06047	1.6
191.00375	0.6
191.03975	1.3
195.05023	2.4
197.02950	7.1
203.00885	0.6
203.02275	0.8
203.04016	11.0
205.01990	0.6
205.05565	13.3
207.03506	4.7
210.06091	2.0
211.04475	2.8
213.02437	3.6
213.05998	2.2
215.00446	1.5
215.03981	11.2
221.03181	3.1
221.04991	1.0
229.05568	23.1
231.03525	8.5
231.07024	0.6
233.01389	1.2
233.05074	1.0
235.03188	0.7
239.04033	1.0
244.98874	0.5
247.06645	15.3
249.04568	2.1
252.00302	0.5
252.94421	0.5
253.99658	0.5
255.02361	0.5
257.05014	2.3
265.41702	0.6
270.08237	0.8
275.02637	2.5
275.06104	44.0
276.06317	1.1
293.03561	1.7
293.07089	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	274.9749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89532	2.3
56.96562	20.2
63.94994	2.7
69.18066	2.6
69.69502	2.8
69.71719	5.7
69.72121	16.5
70.95846	3.7
71.95268	2.8
74.13757	2.8
79.52769	2.5
85.25226	2.5
98.20829	5.8
98.21454	5.7
98.97573	95.7
108.40606	2.4
116.98614	100.0
119.01897	10.6
134.99649	64.2
137.02943	3.6
140.00166	2.8
153.00647	13.3
155.01358	3.6
157.03494	3.1
169.61798	2.6
172.94348	3.2
177.00967	4.9
185.02925	3.3
185.97366	2.5
187.04570	5.9
190.95294	7.2
192.98701	3.5
208.96144	8.6
209.14188	2.7
216.98738	7.9
219.01978	6.9
220.02116	6.1
221.01691	4.7
222.10339	2.8
232.96321	10.9
234.99745	19.0
247.06691	3.3
250.97166	9.0
256.96429	15.5
274.27557	3.6
274.97427	98.6
275.06134	5.4
292.98422	81.8
293.01392	4.7
297.99152	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31924	2.1
57.07070	3.5
62.75288	2.6
69.52418	17.3
69.52826	4.9
70.06573	4.0
81.14951	2.3
88.07653	5.4
94.03599	2.5
99.54495	2.4
123.67473	2.3
274.27399	100.0
275.20160	4.1
275.27689	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	274.2737
Annotation	Hexadecasphinganine
Peak:m/z	Relative Intensity
53.81087	0.4
57.07076	8.5
58.06581	0.7
61.87556	0.4
62.06083	0.6
67.05539	0.4
69.81057	0.8
69.81470	2.0
70.06593	16.5
71.08623	4.2
85.10175	0.6
88.07627	19.2
97.11618	0.4
102.09182	5.3
105.07044	0.6
106.08669	10.3
165.76479	0.5
169.57782	0.5
172.39638	0.5
212.24089	0.5
230.24898	1.2
256.26355	7.1
274.27396	100.0
275.27701	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	274.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44446	0.3
56.73645	0.3
56.96566	2.5
57.03431	0.4
57.84093	0.4
58.06593	2.3
69.03435	1.0
69.07068	7.9
69.74992	1.2
69.75410	1.0
70.06577	1.0
70.98139	0.7
71.07369	1.6
72.08154	1.0
79.05477	0.4
82.06576	0.6
84.08141	3.8
84.96030	0.4
85.02900	0.8
89.02209	0.4
92.04959	0.4
97.02884	1.2
98.97581	2.2
99.43668	0.3
100.11255	100.0
101.11588	0.7
102.38818	0.3
107.04994	0.4
110.06010	0.4
110.97586	0.4
111.06307	0.4
112.99141	0.4
113.00877	0.4
114.05527	0.5
116.07102	0.4
116.98621	1.9
119.01904	0.8
120.91392	0.3
125.07127	0.6
127.04014	0.4
128.98625	1.1
129.10277	0.8
130.08633	2.0
131.00169	0.6
134.99637	0.9
145.03442	0.4
146.99739	0.5
147.11281	3.8
149.01186	0.6
157.01247	0.4
161.02940	0.7
163.04366	0.6
163.54605	0.6
165.00740	0.7
178.04929	0.5
178.55141	0.9
179.05241	0.5
180.04619	0.5
190.98640	1.1
192.29300	0.4
208.99629	0.5
219.01839	0.5
232.99765	0.4
237.02779	0.8
251.00830	1.1
251.48112	0.4
256.20206	0.5
274.09097	0.6
274.12592	0.4
274.18451	0.7
274.21252	5.7
274.27478	0.4
274.97583	1.2
292.98685	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01924	0.4
55.27751	0.4
56.05017	0.5
56.96571	0.7
58.06601	2.3
69.03442	0.5
69.06722	0.6
69.07068	7.6
70.06598	0.8
70.19247	0.7
70.19639	0.9
71.07381	1.9
72.08150	1.5
81.03435	0.4
83.32023	0.3
84.08142	3.6
85.02911	1.3
98.20953	0.6
98.97573	0.8
100.07626	0.7
100.11256	100.0
101.11600	1.1
106.91470	0.3
116.98697	0.5
119.01897	1.4
129.10277	0.5
130.08640	1.7
143.01930	0.5
143.21930	0.4
147.11278	3.4
160.02022	0.4
161.02989	1.0
163.02730	0.4
171.04141	0.6
181.38667	0.4
218.88368	0.4
219.01898	0.4
274.08975	0.5
274.21213	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	274.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
56.05043	0.5
56.96298	0.4
56.96564	4.5
57.03424	1.0
58.06604	1.9
61.02916	1.3
62.29156	0.4
63.72267	0.3
63.81968	0.3
69.03423	2.1
69.07069	7.3
70.02656	1.8
70.06583	1.3
71.07364	1.3
72.08147	1.1
73.02904	1.1
79.01835	0.4
81.03408	0.8
82.06580	1.8
84.04510	0.4
84.08136	3.6
84.96030	1.2
85.02906	3.9
85.31317	0.3
86.03248	0.4
87.04461	0.5
91.03939	0.3
94.52526	0.3
95.04951	0.3
97.02336	0.4
97.02888	2.3
98.21167	0.9
98.97582	4.5
99.04417	0.5
100.07628	3.0
100.11254	100.0
100.99107	0.4
101.00916	0.6
101.11592	0.9
107.04999	0.4
109.02885	0.9
110.01308	0.3
110.97536	0.6
111.02045	0.6
112.99142	0.4
113.07141	0.5
116.93338	0.3
116.98618	2.5
119.01904	2.9
123.02914	0.3
127.03915	1.4
128.02254	0.4
128.98566	0.7
129.10284	1.1
130.08640	1.4
131.00204	0.9
131.01888	0.9
133.03433	0.5
134.99669	1.0
136.09772	0.3
137.02960	0.6
140.02342	0.4
143.00175	0.9
143.01903	0.9
145.01694	1.0
145.03447	1.2
145.04883	0.3
146.99660	0.4
147.11279	4.7
149.01202	0.5
153.01814	3.0
155.01834	0.6
157.01686	0.4
157.03438	0.7
161.01245	1.4
161.02914	1.9
162.03307	0.4
162.99107	0.4
163.02672	0.9
165.00784	0.4
171.04089	1.7
173.01523	0.3
173.02994	1.4
174.03064	0.4
174.99219	0.4
175.02750	0.9
175.04544	0.7
177.04218	1.0
178.04932	1.2
179.02284	0.6
184.04933	1.0
185.02898	0.4
186.04672	1.8
189.00781	0.5
193.00247	0.9
193.03891	0.4
193.05325	1.5
203.04068	0.6
204.04248	0.4
215.04141	0.4
220.04964	2.1
221.05096	0.4
223.01198	0.5
238.06058	1.3
241.05858	0.4
256.20328	1.0
269.05527	1.2
274.18640	0.5
274.21255	6.8
275.06027	0.7
275.11005	0.7
292.07169	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2575
Annotation	beta-Springene
Peak:m/z	Relative Intensity
53.03922	0.7
55.01854	1.0
55.05510	7.0
56.96565	3.3
57.07071	2.8
65.03931	1.1
67.01855	3.5
67.05504	10.6
68.99786	2.7
69.03419	1.7
69.07063	15.6
71.08617	0.9
71.51428	1.3
74.24075	0.6
77.03923	0.8
79.01826	0.8
79.05492	7.9
81.03423	0.9
81.07055	19.5
83.08620	5.0
91.05480	13.0
93.07044	12.5
95.04958	4.5
95.08601	19.1
97.02895	1.4
97.06499	0.6
97.10155	1.8
98.97581	8.7
105.07025	9.8
107.04940	7.5
107.08594	12.9
109.06499	1.6
109.10156	13.3
111.11691	1.1
116.98618	6.1
117.07027	1.5
119.04943	18.6
119.08569	7.8
120.05283	1.1
121.06493	1.6
121.10136	10.4
123.04425	15.8
123.08105	0.8
123.11697	5.0
124.04750	0.7
129.06999	1.0
131.08549	2.7
133.06491	1.1
133.10106	7.0
134.99640	2.4
135.04437	1.2
135.11691	7.5
137.13232	2.6
143.08559	1.4
145.10124	3.1
147.04401	42.0
147.07982	0.8
147.11679	7.7
148.04744	1.7
149.05966	0.8
149.13266	6.2
151.03917	1.5
151.14793	1.1
153.01822	100.0
154.02159	3.3
155.08546	1.1
156.09352	0.9
157.10104	2.1
158.99675	2.8
159.11612	1.1
161.13242	4.3
163.03865	1.2
163.14861	4.3
165.07005	0.9
167.07001	1.6
169.10182	0.9
171.02905	3.6
171.11664	1.2
173.09482	0.7
173.13240	1.2
175.14827	2.6
177.00694	4.0
177.16356	4.1
181.06433	1.0
181.09991	1.0
182.10901	0.8
183.12010	0.8
189.05510	1.2
189.12744	1.2
189.16393	2.4
191.17929	1.3
195.11670	0.6
197.13211	2.2
199.11171	1.0
203.17952	2.5
211.14795	1.0
212.15538	0.8
213.16336	0.8
217.19547	3.3
227.14369	0.7
255.17444	2.6
273.07568	57.6
273.18445	6.3
273.25757	20.3
274.07919	4.8
279.16431	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2576
Annotation	Trixagoene
Peak:m/z	Relative Intensity
53.03951	2.4
55.05513	41.2
57.07059	10.1
61.74190	2.3
65.03951	3.0
67.05505	30.5
69.03442	4.3
69.07063	55.8
69.76031	10.4
69.76463	6.0
71.04977	3.0
71.08617	4.3
79.05480	18.8
80.74435	2.8
81.06579	4.5
81.07058	81.2
83.08617	25.9
85.02897	3.3
91.05467	22.2
93.07044	42.4
95.04926	5.3
95.08603	88.3
97.10183	15.5
99.05515	2.6
105.07031	36.4
107.04961	4.3
107.08598	60.0
109.06493	2.9
109.10153	57.6
111.11720	6.5
117.07020	3.8
119.04965	6.5
119.08581	34.5
121.06541	3.6
121.09315	4.3
121.10143	49.2
123.04427	33.6
123.11694	33.1
125.13282	2.8
129.06961	3.0
131.08582	6.7
133.10132	27.3
135.04419	4.0
135.11699	32.3
137.13242	14.5
141.98567	2.5
143.08551	3.1
145.10010	6.3
147.04352	6.4
147.11676	24.9
149.05948	2.3
149.13271	39.8
151.07449	3.1
151.14870	4.4
153.01808	7.5
153.06976	6.7
159.08073	2.9
159.11697	5.8
161.13248	30.4
163.03920	2.6
163.14841	36.1
165.16443	4.2
173.13188	2.6
175.14844	23.5
177.16380	21.6
181.06447	5.6
185.06087	2.4
189.16374	23.2
191.17944	11.9
203.17964	25.6
213.09181	3.5
217.19511	28.7
228.10272	5.1
231.21007	7.0
232.42371	2.5
239.29013	3.0
255.17465	3.0
273.04190	2.6
273.07474	13.0
273.12292	5.9
273.18500	7.5
273.25769	100.0
274.17950	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	273.2574
Annotation	Trixagoene
Peak:m/z	Relative Intensity
55.05508	17.8
57.07066	12.6
60.74571	4.9
60.80573	5.5
67.05518	24.3
69.07061	41.8
73.99796	5.1
79.05489	15.6
81.07062	76.9
83.08614	14.7
91.05473	14.7
93.07043	46.3
94.00472	4.9
95.08050	8.3
95.08609	100.0
97.10155	14.2
98.21508	13.5
105.07017	39.6
107.08591	63.3
109.10162	68.6
119.08574	29.6
121.10130	52.0
123.11697	46.4
133.10109	25.5
135.11691	30.1
137.13257	11.2
144.00887	5.5
147.11656	23.6
149.13257	41.2
151.14761	8.3
161.13289	26.2
163.14854	28.9
175.14845	9.4
177.16373	17.3
189.16388	35.1
191.17957	10.2
203.17950	25.1
217.19444	34.1
273.25766	99.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2213
Annotation	androstenone
Peak:m/z	Relative Intensity
55.05515	10.8
56.96554	2.3
57.07065	3.4
67.05506	14.4
69.07070	13.3
70.06578	2.2
71.04999	15.2
77.34496	2.4
77.70944	2.0
79.05492	16.4
81.07058	46.5
83.08605	3.7
85.06548	3.5
89.35499	2.0
91.05476	19.0
93.07047	31.9
95.04963	7.8
95.08601	35.5
97.10177	3.9
102.36544	2.2
103.05474	2.4
105.07030	44.7
107.04932	5.3
107.08595	29.4
109.06544	7.3
109.10155	15.8
110.82408	2.1
111.08076	17.9
113.09658	4.4
117.07017	11.0
119.08585	62.2
121.10138	26.7
123.04421	3.8
123.08054	5.9
123.11714	11.3
129.07022	5.2
131.08562	27.3
131.66095	2.1
133.10132	15.1
134.99684	3.2
135.08098	2.4
135.11670	7.0
137.09525	2.4
143.08522	12.0
144.09363	3.5
145.10129	34.6
147.08054	2.9
147.11703	14.2
149.09665	7.5
149.13245	8.2
151.11113	2.5
157.10109	17.8
159.11690	51.6
161.13249	17.9
163.11171	4.0
163.14845	4.1
171.11679	11.0
171.17229	2.1
173.13258	25.3
175.14838	7.6
177.12741	10.5
179.14244	2.4
185.13255	12.4
187.14793	8.1
189.16505	3.1
199.14828	21.0
203.18011	3.3
210.33426	2.5
211.14903	2.8
213.16354	14.1
215.17935	67.7
217.15965	4.7
227.17955	6.3
229.19493	10.0
231.17387	2.4
245.19060	2.9
255.17233	3.7
255.18182	3.8
255.21072	60.0
273.16129	3.0
273.18576	17.5
273.22134	100.0
273.29880	9.3
274.22189	3.0
274.27338	12.2
283.95694	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	273.1848
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03930	1.4
55.01867	4.2
55.05513	11.9
57.03437	1.2
57.07083	1.0
67.05506	14.5
69.03417	1.4
69.07065	6.5
70.15460	4.4
71.67917	0.8
73.06530	0.8
79.05499	11.9
81.03432	1.4
81.07053	10.8
83.04995	1.0
83.08614	4.0
91.05485	27.5
93.07044	11.1
95.04970	4.7
95.08602	7.6
97.10162	1.8
99.08072	1.1
103.05478	1.3
105.03397	1.2
105.07037	22.9
107.04949	4.3
107.08588	5.9
109.10147	5.2
111.08048	1.6
115.05453	3.8
116.06212	1.5
117.07017	17.8
117.38475	0.9
119.04946	1.4
119.08587	18.8
121.06488	2.4
121.10125	3.2
123.04425	1.8
123.08084	2.6
128.06238	3.2
129.07016	10.8
130.07797	4.8
131.08566	42.3
133.06476	4.1
133.10130	6.8
135.08025	2.4
135.11688	1.0
137.09599	1.5
141.06989	2.1
142.07748	1.8
143.08565	12.4
144.09283	0.9
145.06471	2.9
145.10124	29.9
146.07262	1.5
147.08057	14.7
147.11673	3.4
149.09616	2.9
153.01831	1.2
154.07640	1.0
155.08540	2.1
156.09305	1.0
157.06458	1.1
157.10109	9.3
158.10867	1.2
159.08101	6.0
159.11694	7.5
161.09631	9.1
163.11203	1.2
169.10126	2.9
171.11638	5.0
173.09628	3.1
173.13295	1.8
175.11200	5.6
177.09242	1.2
181.10074	1.5
183.11676	1.3
185.09601	1.8
185.13278	2.0
187.11127	1.6
189.12706	1.5
195.11751	1.9
199.11201	3.1
201.12799	1.6
203.10707	1.0
205.12207	1.0
209.13287	1.0
213.12547	1.0
213.16289	1.1
217.15649	1.0
227.17952	3.9
229.16141	1.0
231.17441	1.7
237.16397	4.4
239.89174	1.0
245.19034	4.0
255.17505	10.4
273.18494	100.0
273.29825	3.1
274.18759	2.1
274.27521	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1847
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
52.89077	1.5
53.03935	4.4
55.01868	9.8
55.05512	16.2
56.96574	1.3
57.07076	1.8
60.56688	1.4
65.03941	2.2
67.05505	35.2
68.57940	1.5
69.03432	3.4
69.07071	12.0
71.32177	3.1
79.05063	2.4
79.05495	32.7
81.03402	5.7
81.07058	35.2
83.04975	6.1
83.08631	7.3
91.05485	48.3
93.07044	28.2
95.04959	16.2
95.08609	36.0
97.06507	3.8
97.10139	2.7
103.05438	2.8
105.07034	44.6
107.04963	15.6
107.08595	18.5
107.80392	1.3
109.06544	14.6
109.10140	5.4
115.05431	3.9
117.07022	20.0
119.04968	3.3
119.08578	34.0
121.06510	12.1
121.10136	8.7
121.19622	1.3
123.04440	3.5
123.08093	11.5
128.06190	7.4
129.07021	15.4
130.07816	2.2
131.08574	31.5
133.06493	14.5
133.10136	19.2
135.08052	15.9
135.11687	2.9
137.09618	10.1
141.06995	4.7
142.07770	3.9
143.08563	16.6
144.05725	1.6
144.09332	2.4
145.06470	4.8
145.10127	25.5
146.07231	2.0
147.08038	17.4
147.11662	8.5
149.09621	13.0
151.11183	2.2
153.01794	1.5
155.08563	3.9
157.06499	2.3
157.10139	15.6
159.08022	5.2
159.11679	11.4
161.09619	29.5
161.13249	3.0
163.11172	4.4
165.09157	1.7
168.09274	1.4
169.10159	3.8
171.11652	12.6
173.09631	5.1
173.13260	4.0
175.11174	15.5
177.09183	3.1
177.12804	2.5
181.10104	2.5
183.11627	2.0
185.09570	3.5
185.13280	4.1
187.11197	5.9
187.14822	2.2
189.12766	7.6
191.10568	1.7
195.11792	2.1
197.13431	1.5
199.11217	4.3
201.16473	1.8
203.17848	1.5
213.12752	3.8
213.16335	3.8
217.12373	1.8
227.17975	6.8
237.16434	5.3
245.18990	11.2
255.17438	19.9
273.18500	100.0
273.29724	3.0
274.18964	1.7
274.27051	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1848
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03928	4.3
55.01873	7.9
55.05510	15.9
57.03430	2.5
57.07075	1.4
65.03930	1.4
67.05505	26.9
69.03422	2.8
69.07069	10.5
69.75721	1.4
71.05001	2.9
71.58910	2.2
71.59304	1.7
77.03963	1.3
79.05489	23.4
81.03400	3.1
81.07056	23.2
83.04972	2.9
83.08596	3.4
91.05481	37.0
93.07040	22.2
95.04973	8.8
95.08598	12.9
97.06485	2.2
97.10178	1.4
101.84142	1.2
103.05454	3.2
105.07034	38.1
107.04957	5.6
107.08576	10.8
109.06511	5.5
109.10151	5.5
112.70757	1.3
115.05437	2.8
116.06232	2.2
117.07014	18.7
119.04934	2.6
119.08578	25.4
121.06520	13.8
121.10143	5.9
123.04418	2.1
123.08065	5.7
128.06226	4.6
129.07022	14.0
130.07776	3.6
131.04948	1.5
131.08571	26.5
133.06496	14.2
133.10109	13.2
135.08072	7.0
135.11676	3.4
137.09586	3.3
141.06941	3.9
142.07753	3.1
143.08591	17.4
145.06506	4.3
145.10132	24.5
147.08043	15.0
147.11665	5.9
149.09605	5.1
151.11177	2.1
155.08582	1.7
156.09258	1.6
157.10118	12.6
159.08018	6.4
159.11716	12.6
161.09618	17.2
161.13249	3.4
163.11136	3.7
169.10161	2.8
171.08000	2.1
171.11687	10.0
173.09621	3.9
173.13272	2.0
175.11157	7.6
175.14703	1.6
177.12718	2.2
181.10085	2.4
183.11589	1.4
185.09674	2.1
185.13266	3.5
187.11165	3.1
189.12720	3.3
195.11673	2.3
199.11131	4.1
199.14792	1.8
205.12415	1.8
213.12819	2.1
213.16286	2.4
215.17862	1.8
227.17920	7.4
237.16373	2.9
245.19035	10.5
255.17476	9.8
255.21083	1.7
273.18491	100.0
273.29785	2.3
274.19125	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1848
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03955	1.9
55.05506	8.9
57.07063	3.1
59.04997	2.1
65.70152	1.7
66.54848	2.1
67.05499	8.9
69.03402	2.6
69.07064	4.9
70.84525	5.0
71.04996	6.2
79.05499	7.3
81.07063	10.4
83.05000	3.8
83.08617	4.5
85.06541	5.6
90.66678	1.9
91.05479	10.0
93.07040	12.5
95.04969	28.3
95.08602	11.6
99.08067	3.7
105.07030	19.2
107.08584	14.4
109.06527	28.0
109.10156	11.9
111.08080	6.1
115.05486	2.6
117.07008	11.6
119.08585	34.7
119.63176	1.8
120.71613	2.0
121.06543	4.4
121.10159	6.7
123.04427	5.7
123.08065	27.1
123.11730	4.0
128.06262	5.3
129.07005	6.4
130.07755	3.8
131.08565	19.9
133.06551	2.6
133.10152	14.3
135.08055	7.1
135.11653	2.6
137.09627	9.0
141.07004	4.7
142.07762	8.7
143.08553	16.2
144.09352	4.2
145.06387	2.3
145.10130	43.8
147.08047	5.7
147.11691	17.1
149.09628	5.6
151.07474	4.6
151.11154	3.9
153.06956	2.7
155.08511	5.3
156.09344	12.9
157.10130	35.3
158.11000	9.0
159.08073	8.0
159.11693	13.8
161.09619	8.3
161.13264	5.9
167.08551	3.2
169.10120	7.2
170.10925	4.8
171.11673	27.6
172.12474	3.0
173.09634	13.8
173.13274	28.5
174.10352	4.2
175.11191	10.9
180.09306	2.2
181.10182	3.8
182.10934	5.1
183.11739	2.4
185.13213	9.7
187.11159	16.6
187.14841	6.1
189.12762	23.8
190.13492	2.1
197.13277	14.2
199.11185	15.1
200.11887	3.1
203.14323	3.0
207.11705	3.6
211.14793	3.7
212.15565	4.4
213.12758	5.9
213.16341	16.3
215.14308	36.6
217.12300	9.8
225.12718	3.1
229.15863	4.9
231.17470	16.9
237.16426	4.2
240.15193	2.8
243.13788	3.6
255.17447	37.7
263.95364	1.9
273.07529	2.2
273.18503	100.0
274.18802	4.7
278.97238	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03931	2.3
55.01861	3.4
55.05267	2.3
55.05512	30.6
56.96563	5.7
57.03432	3.9
57.07055	3.8
57.11068	1.0
65.03959	1.4
67.05168	2.0
67.05501	20.9
69.03412	2.1
69.07067	18.3
71.04974	1.7
71.08675	1.4
79.05491	21.0
81.03416	1.6
81.07059	23.0
83.04965	2.5
83.08628	10.6
85.02878	1.3
85.06523	2.4
91.05482	44.2
93.07032	18.7
95.04965	3.0
95.08603	19.5
97.06529	3.9
97.10146	5.6
98.97589	8.3
103.05439	1.9
105.07030	36.1
107.04945	3.0
107.08585	12.2
109.06510	4.7
109.10168	7.0
109.69200	1.1
115.05460	7.3
116.06254	7.5
116.98608	5.3
117.06216	2.4
117.07018	37.8
119.04903	2.2
119.08576	30.8
121.02875	3.5
121.06511	3.1
121.10123	4.9
123.04434	5.0
123.08089	2.1
123.11677	1.6
125.09659	1.8
128.06203	7.3
128.98593	1.4
129.07011	20.2
130.07793	8.8
131.04936	2.2
131.08563	62.9
131.36607	1.4
132.05635	1.6
133.06488	5.9
133.10143	11.8
134.99644	3.6
135.08026	2.9
135.11717	2.1
137.02335	2.4
137.09595	2.1
141.06970	2.8
142.07785	4.4
143.08563	37.7
144.09320	2.7
145.06480	2.7
145.10123	74.5
146.99631	2.9
147.08047	12.0
147.11673	6.4
149.09633	2.2
149.13266	1.8
151.08702	1.3
155.08582	3.5
156.09344	1.4
157.08817	1.5
157.10120	21.4
158.10930	2.2
158.99658	1.7
159.08054	6.8
159.11679	21.3
161.09605	10.7
161.13260	4.0
163.11166	2.4
163.14830	1.6
165.00697	1.2
165.07086	1.3
169.10130	5.9
171.11685	9.6
173.09621	2.6
173.13274	4.3
175.11269	5.9
177.00667	3.0
180.09402	1.4
181.10121	2.9
183.11720	2.8
185.09671	2.6
185.13239	3.3
187.14783	1.3
189.12700	2.0
189.16359	1.9
195.11656	5.0
199.11215	4.0
199.14767	1.9
201.12914	1.7
203.17952	2.1
204.12621	1.2
207.13310	1.9
209.13252	2.4
211.14977	1.4
213.13005	1.9
213.16405	1.9
217.15875	3.2
217.19597	1.6
222.13918	1.4
227.14259	2.0
227.17967	3.2
228.13770	1.5
237.14311	1.9
237.16385	9.6
245.19107	3.7
255.17520	11.4
255.61923	1.3
258.14737	7.7
258.65085	2.3
273.18497	100.0
273.25793	7.8
274.18762	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1118
Annotation	7,4'-Dihydroxy-3'-methoxyisoflavan
Peak:m/z	Relative Intensity
53.03939	1.6
55.01861	1.9
55.05488	0.6
56.96552	1.0
57.03439	0.8
65.03941	0.6
67.05507	3.7
68.99784	1.1
69.07068	1.4
69.41205	4.2
69.41617	1.0
79.05490	6.1
81.03415	1.0
81.07050	2.2
81.19273	0.6
85.81940	0.5
91.05476	3.5
93.07048	2.6
95.04964	6.6
95.08597	1.6
98.42514	0.5
98.97586	1.2
103.05469	9.4
105.07030	7.2
107.04952	20.8
107.08592	1.9
109.06498	1.2
109.10120	0.7
116.98618	0.9
117.07047	1.4
119.08575	1.3
120.08081	3.1
120.74969	0.5
121.02859	0.5
121.06509	2.5
121.10120	0.7
123.04426	100.0
124.04765	1.0
124.07627	0.8
125.05977	3.4
129.06987	0.9
131.04922	5.0
131.08521	0.9
132.05682	1.0
133.06477	1.7
134.99641	1.5
135.04453	1.4
135.05507	1.1
135.08037	7.7
137.05975	62.8
138.06326	0.9
142.07750	0.6
143.08540	0.6
145.10126	1.3
147.04404	1.4
147.11691	0.8
147.40289	0.5
148.05199	1.7
148.07521	4.0
149.05960	3.4
151.07529	3.1
153.01807	1.4
153.07063	0.9
157.10135	0.8
159.11668	1.0
160.12935	0.5
163.07533	38.4
164.08043	0.6
169.10097	0.8
189.05502	0.8
193.68040	0.6
199.07611	0.7
213.09079	0.8
213.16261	0.7
214.62732	0.6
242.86003	0.6
255.17429	0.6
273.07553	2.7
273.11111	2.0
273.15854	2.2
273.18533	2.1
273.26041	1.0
279.51596	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1118
Annotation	Phoyunbene C
Peak:m/z	Relative Intensity
51.32680	0.7
53.03930	3.1
55.01870	5.1
55.05498	2.7
57.03445	3.5
58.16809	0.7
65.03915	1.2
67.05503	8.0
68.99770	3.1
69.03432	8.6
69.07041	0.9
69.40487	6.8
71.01340	3.2
71.04985	1.0
73.02896	0.8
77.03928	1.0
79.05471	3.0
81.03416	14.2
81.07037	1.5
83.04979	7.0
85.02901	19.6
87.00821	6.2
91.05495	3.6
93.07053	1.7
95.01302	1.0
95.04980	8.4
95.08594	1.0
97.02881	6.1
98.20751	1.4
99.04430	3.0
101.02351	1.9
103.03913	1.4
103.05454	5.3
105.01865	1.1
105.03392	1.0
105.07032	3.6
107.04942	4.5
107.08584	1.4
109.02896	5.0
109.10116	0.8
110.03703	0.9
111.00794	2.0
111.04435	5.4
115.05446	6.2
116.06206	1.0
117.07003	2.7
119.04930	1.7
119.08603	0.8
121.06490	2.8
123.04423	59.6
125.02306	1.6
127.03928	7.3
128.06245	4.1
128.07124	0.6
129.07004	5.1
130.07773	0.9
131.04918	8.6
131.08566	1.0
132.05730	0.8
133.06474	3.0
135.04391	5.8
135.08008	1.6
135.11705	0.7
137.02309	0.8
137.05972	7.3
139.03886	2.2
141.05414	1.0
141.05875	0.7
141.06985	7.7
142.07762	1.7
143.04887	3.3
143.08510	2.3
144.05710	6.0
145.06462	3.4
145.10143	0.9
146.03668	1.3
146.07254	0.9
147.04385	5.9
148.05179	1.6
149.05959	2.8
151.03909	3.9
151.07545	1.1
152.06189	4.8
152.48442	0.7
153.01813	1.4
153.06979	5.0
155.04929	1.7
155.08536	1.9
156.05646	0.7
157.06491	4.0
157.10117	1.5
158.07297	4.0
159.04381	1.6
159.07994	2.1
160.05188	3.8
161.04619	1.3
161.05972	24.1
161.09502	0.9
162.06746	2.1
163.03908	5.8
163.07529	5.1
164.08342	2.1
165.06981	5.0
166.07864	1.2
167.08560	9.5
168.05693	1.6
169.01331	8.4
169.04967	5.9
169.06480	8.2
170.07245	3.1
171.02856	2.4
171.04410	7.3
171.08049	6.0
172.05179	2.9
173.05920	2.2
173.09645	1.3
174.06741	7.3
175.03767	0.7
175.07550	7.0
176.08250	1.0
177.07021	1.2
177.09111	1.6
181.06445	6.7
182.07285	1.0
183.08017	3.2
184.05222	1.1
184.08847	1.9
185.05962	4.5
185.09627	3.4
186.06766	5.9
187.05984	4.8
187.07536	12.4
188.04706	3.1
188.08272	1.2
189.03908	3.1
189.05447	24.8
189.09087	2.4
190.06047	1.6
191.07007	15.3
194.07217	1.1
195.08040	12.9
196.05281	0.9
197.05931	4.9
198.06729	1.8
199.03899	11.4
199.07570	3.9
200.04597	2.1
200.08429	1.1
201.05389	1.0
201.09111	18.9
202.09816	0.8
203.06979	2.7
203.10701	3.9
204.07784	2.5
209.09607	0.9
211.07524	2.8
212.08307	2.9
213.05484	2.1
213.09135	8.2
214.06227	9.0
215.07008	1.8
215.10645	5.3
217.04944	28.3
217.12222	1.1
223.07579	4.5
226.06372	0.7
227.07065	1.5
227.10637	11.5
229.08551	7.1
230.09338	1.2
231.06526	1.7
231.10120	2.7
232.07294	45.6
237.09024	1.4
240.07791	1.9
241.08507	4.1
245.08076	1.9
245.11703	5.3
255.07277	1.1
255.10146	11.1
258.08810	1.6
273.07642	14.7
273.11182	100.0
274.07693	0.9
274.11530	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.112
Annotation	Phoyunbene C
Peak:m/z	Relative Intensity
53.03933	2.0
55.01860	1.6
55.05497	2.7
56.96545	0.9
65.03921	3.1
67.05513	5.8
68.99775	2.5
69.07053	2.6
71.58104	0.9
71.58524	1.4
79.05494	4.4
81.03394	2.5
81.07045	6.8
83.04964	1.7
84.00359	0.9
85.02889	4.8
87.00813	1.0
89.03908	1.0
91.05479	24.1
93.07037	3.8
94.04176	1.0
95.04963	10.4
95.08614	5.1
97.02885	4.6
97.10224	1.2
98.26307	0.9
103.05464	14.5
105.03416	1.3
105.07032	6.1
106.37279	0.8
107.04941	13.0
107.08575	4.6
109.02866	0.9
109.06521	1.7
109.10136	3.0
111.04463	2.3
115.03905	0.9
115.05425	1.4
116.98546	0.8
117.03351	1.3
117.07038	1.2
119.04964	9.0
119.08595	2.8
119.21819	0.8
121.02811	1.4
121.06499	45.0
121.10131	2.2
122.03688	1.4
123.04417	19.1
123.08116	0.8
123.11686	2.3
124.05235	1.9
125.05933	1.2
127.03918	1.3
128.06206	2.3
129.07007	2.9
131.04924	14.7
131.08556	3.1
133.02811	3.1
133.06433	0.9
133.10080	1.4
134.03601	3.9
134.99667	1.0
135.04408	7.3
135.08049	1.5
135.11658	2.3
137.02278	1.4
137.05977	16.4
141.06992	2.8
142.07765	2.3
143.04810	1.3
143.08542	1.4
145.06485	1.7
145.10100	2.5
147.04417	6.2
147.11670	1.4
148.05144	1.7
149.04778	2.0
149.05980	41.1
149.13268	2.0
150.06746	4.2
151.03896	1.8
151.07533	7.4
152.06224	11.2
153.01819	9.4
153.06984	19.2
154.07649	1.1
155.04831	1.0
155.08525	3.0
157.06454	4.8
157.10081	1.5
159.11656	1.1
161.05943	3.4
162.06749	0.9
163.03893	1.5
163.07526	10.1
165.06978	6.5
166.07704	0.9
167.07240	1.2
167.08455	4.4
168.05592	1.1
169.05153	1.0
169.06442	5.4
170.07251	8.3
171.04265	1.0
171.07962	2.6
174.03108	2.3
175.07535	2.1
175.14792	1.1
177.05432	1.2
180.05678	3.9
181.06488	27.0
182.07254	8.3
183.07996	2.9
184.05157	1.4
184.08669	1.0
185.05898	1.3
185.09616	5.1
187.06003	1.1
187.07530	3.6
189.03920	1.8
189.05463	15.0
195.08046	10.5
197.05966	6.7
198.06746	18.1
199.07494	5.4
200.04733	1.1
201.05476	1.2
203.06914	0.9
203.10773	0.8
208.05173	2.2
209.05974	4.1
210.06744	3.5
211.07442	2.1
212.08192	2.8
213.05745	6.3
213.09097	38.8
213.16287	1.1
214.09357	1.1
215.06955	3.8
223.07498	4.7
224.08270	1.1
225.05380	1.2
225.09183	1.0
226.06259	5.3
227.07008	2.6
227.10602	4.6
229.08568	1.5
240.07794	5.0
241.08577	25.4
242.09303	6.8
243.06474	1.2
245.11668	1.3
255.06622	2.0
255.10129	3.1
255.17593	1.3
258.08926	4.3
273.07675	11.8
273.11182	100.0
273.18439	3.7
273.22241	1.4
273.25702	2.6
274.11511	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1121
Annotation	Erianthridin
Peak:m/z	Relative Intensity
55.01863	0.7
56.96554	1.0
57.07073	0.6
60.77266	0.4
67.00111	0.5
67.01865	1.0
67.05508	1.3
68.99789	5.5
69.03416	2.2
69.07093	0.5
69.63969	1.5
69.64395	2.4
74.04978	0.5
79.05478	1.5
81.07051	1.3
83.04978	1.0
85.02900	3.5
91.05486	4.1
93.03419	0.5
93.07023	1.0
95.04978	1.6
95.08606	1.1
97.02892	2.2
98.21525	1.2
101.48782	0.6
103.05453	1.3
105.07015	1.2
107.04959	6.9
107.08566	1.2
109.02874	0.6
109.10143	0.9
111.00812	1.2
111.04436	1.4
115.05460	1.7
117.07018	2.1
119.04922	5.6
119.08591	0.8
121.02881	1.3
121.06499	1.2
121.10143	1.1
122.17839	0.5
123.04430	14.0
128.06232	0.6
129.06973	0.7
131.04909	3.7
131.08551	1.7
133.06511	1.5
134.99693	0.7
135.04401	2.3
137.02353	2.2
139.02916	1.0
139.03912	11.2
141.07005	1.6
143.08536	0.9
144.05702	1.3
145.06497	4.4
145.10146	1.2
146.99565	0.6
147.04410	22.5
149.02383	1.2
149.06000	0.9
151.03922	1.9
152.06219	0.7
153.01816	3.7
153.06990	2.6
155.06023	0.9
155.08572	1.4
157.06505	4.7
158.07278	0.5
159.08055	1.3
161.05949	1.8
163.03909	2.6
163.07564	0.9
165.07030	2.5
168.05739	1.0
169.06497	1.7
171.04393	4.3
171.05606	0.7
173.13335	0.6
174.03099	1.1
181.06494	2.7
183.08064	1.5
185.05920	1.6
187.07590	1.1
189.05470	11.5
189.07066	1.0
197.05983	1.0
199.07596	2.7
201.09026	0.7
213.05464	2.4
213.16426	0.6
215.07123	0.7
222.49538	0.5
227.07034	4.6
228.07777	1.8
229.08595	75.6
230.08926	1.1
255.06526	5.6
255.10123	9.0
273.07593	8.0
273.11197	100.0
274.11542	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.112
Annotation	Phoyunbene C
Peak:m/z	Relative Intensity
53.03931	1.9
55.01860	1.6
55.05501	1.8
61.43697	0.8
67.05478	3.0
68.99769	1.9
69.03407	1.7
69.07046	2.0
70.06847	1.7
70.07259	3.0
75.59181	0.8
79.05494	4.2
81.03394	2.0
81.07048	5.0
83.04967	1.7
84.78959	0.8
85.02892	2.7
89.03893	1.2
91.05479	24.5
93.07033	4.0
95.04960	7.4
95.08601	3.3
97.02876	2.3
97.10128	1.2
99.04431	1.3
103.05462	16.8
105.03363	1.1
105.07006	3.8
107.04919	5.6
107.08576	2.3
109.06493	1.0
109.10117	1.6
111.04456	1.1
115.05450	2.3
117.07005	3.7
117.50269	0.9
119.04951	7.9
119.08541	2.1
121.02836	3.5
121.06496	40.5
121.10150	2.0
123.03566	1.4
123.04424	18.7
125.06010	4.6
128.06252	1.2
129.06995	2.4
131.04924	15.2
131.08556	3.3
133.02837	2.9
133.10130	1.9
134.03627	3.5
135.04393	7.3
135.08029	1.2
137.02328	2.9
137.05956	11.0
141.06949	2.2
142.07791	2.2
143.04926	1.2
143.08452	2.1
144.26814	1.0
145.06462	2.4
145.10110	1.6
147.04390	3.3
148.05133	2.9
149.05972	35.4
150.06773	5.3
151.03873	5.1
151.07527	6.6
152.06194	9.4
153.01857	7.2
153.06969	19.1
154.02097	1.0
154.07608	1.2
155.08496	2.6
157.06479	1.7
159.08028	1.0
161.06006	2.1
163.03847	1.5
163.07532	8.2
163.14816	1.8
165.06966	5.2
166.07724	1.4
167.08519	3.5
169.06519	5.2
170.07240	7.8
171.07990	2.1
174.06709	0.8
175.07489	2.3
177.05516	1.1
177.06970	1.4
177.09012	2.1
180.05652	3.1
181.06462	30.1
182.07246	7.7
183.08014	2.4
184.05174	1.4
184.08669	1.1
185.09676	5.4
187.06041	1.0
187.07492	4.7
189.05467	9.0
189.09013	1.1
192.38525	1.1
195.08032	12.4
196.08774	1.5
197.05933	7.6
198.06764	16.5
199.07536	4.8
203.26395	0.8
208.05214	2.9
209.06001	4.1
210.06812	4.9
211.07474	1.9
212.08315	4.3
213.09082	42.0
214.09377	1.2
215.07002	3.7
223.07484	5.7
225.05457	1.4
225.09084	1.1
226.06250	6.4
227.07036	3.2
227.10678	5.8
229.08542	2.2
230.09253	1.1
237.09341	0.9
240.07774	3.2
241.08588	22.9
242.09340	5.8
243.06444	1.0
245.11790	1.3
255.10132	5.0
257.08206	1.6
258.08707	4.8
273.07782	5.0
273.11182	100.0
273.18481	3.5
273.22287	1.4
273.25760	2.3
274.11530	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06208	1.8
50.06832	2.0
53.03934	3.4
55.01865	8.3
57.03231	2.1
57.03439	22.3
58.20259	2.1
61.02929	14.4
69.03075	3.5
69.03429	42.7
69.99683	1.9
70.06591	16.0
71.04970	2.7
71.57205	4.7
72.08152	4.4
73.02914	34.0
81.03420	13.2
84.08129	5.9
85.02904	100.0
86.03246	2.6
87.04448	4.0
91.03946	4.4
97.02894	36.4
97.06525	2.3
98.03567	3.9
99.04439	8.4
101.00896	12.6
101.02363	2.5
102.02454	2.9
109.02863	7.6
111.02953	4.5
113.00878	3.4
115.03200	3.2
115.03954	3.6
116.07092	3.9
118.77663	2.3
119.01921	38.1
120.02058	3.8
121.01648	2.5
123.02936	6.0
124.02631	2.0
127.03928	26.9
129.02890	3.9
131.01918	19.1
132.03459	3.2
133.03465	8.3
135.02881	3.9
137.02960	6.9
138.03436	4.3
143.01897	61.8
144.02081	7.6
144.03464	5.9
145.03467	11.8
145.04980	10.6
146.31934	2.1
147.01443	2.8
147.03996	7.2
149.02983	4.1
153.03951	8.2
154.03664	3.2
155.01860	23.0
156.02010	3.0
157.03419	9.7
158.05620	3.8
161.02950	90.2
162.03139	14.1
162.04462	4.6
163.02750	4.0
167.01822	2.8
169.03452	2.4
171.04958	4.5
173.02963	62.6
174.03117	5.9
174.04529	9.2
174.54527	2.5
175.04553	2.8
183.04996	18.9
183.55116	3.4
184.04607	5.1
185.02979	26.8
186.03180	4.2
191.00336	2.8
191.03960	10.8
192.05536	13.6
196.04616	2.8
197.02968	5.7
203.03990	46.1
204.04286	5.6
205.01955	2.4
213.02489	2.1
215.04034	7.5
221.05103	7.9
223.02948	2.6
227.03976	5.4
230.08669	2.3
233.05109	9.1
245.05005	20.9
246.05290	2.9
257.05151	3.3
263.06100	25.4
264.06329	5.4
273.11530	3.3
275.06155	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	273.0758
Annotation	HYDRAMACROPHYLLOL A
Peak:m/z	Relative Intensity
51.02374	0.9
53.03952	0.8
55.01868	1.3
55.05523	0.9
56.96563	0.4
57.07072	0.6
58.99591	0.4
63.78121	0.3
67.05511	2.4
68.05037	0.3
68.99803	2.1
69.07056	1.1
70.00062	2.2
77.03934	1.6
79.05484	2.9
81.07070	3.2
84.04501	1.0
85.01138	3.1
85.02925	0.4
86.00650	1.4
89.03922	0.8
90.05550	0.6
91.05471	2.0
93.07052	2.4
95.04957	2.7
95.08617	3.4
96.08139	0.6
98.09674	1.0
104.01667	0.5
105.03397	2.3
105.07032	2.3
107.04959	2.7
107.08594	2.2
109.10146	2.1
110.09688	0.5
111.00804	2.2
113.04227	2.1
115.05450	0.8
116.01708	0.5
117.03368	1.3
117.07013	0.8
119.04976	1.1
119.08585	1.5
121.06514	0.9
121.10160	1.4
122.09666	0.6
123.04429	100.0
123.11687	0.7
124.04771	1.1
126.05526	3.2
127.03887	0.6
127.05038	0.5
129.07004	0.4
131.08575	0.9
133.06522	0.7
133.10136	1.6
135.04416	9.2
135.11716	0.9
136.07570	0.5
137.02287	0.4
139.03917	4.0
143.04875	0.7
143.08597	0.8
144.06552	2.4
145.02856	1.0
145.06520	0.6
145.10110	0.5
147.04414	6.9
147.11678	1.2
147.78885	0.4
148.05199	0.6
149.05965	0.6
149.13271	1.2
151.03893	1.6
151.19096	0.4
152.06212	0.6
153.06966	1.0
156.08437	2.9
157.06560	0.6
157.10130	0.6
158.02727	0.6
159.11667	0.5
161.05980	0.9
161.13271	0.8
163.03905	8.8
163.07524	1.8
163.14961	0.5
170.11766	1.0
177.05489	1.2
179.89569	0.4
181.06502	1.5
185.05901	0.7
185.09628	0.4
187.07654	0.6
189.05489	4.1
191.04797	0.9
199.07562	1.1
209.05927	0.6
213.05443	0.7
213.09090	0.4
227.07022	0.7
231.06534	1.3
241.08601	0.5
245.08136	0.7
255.06497	1.3
273.07562	17.2
273.12155	1.9
273.18564	0.8
273.22760	0.5
273.25772	2.7
274.07904	0.5
279.01733	0.8
287.04507	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0755
Annotation	HYDRAMACROPHYLLOL A
Peak:m/z	Relative Intensity
51.02368	0.7
53.03934	1.3
55.01872	2.5
55.05496	1.1
57.03419	0.8
65.03927	1.1
67.05500	3.9
68.31410	0.4
68.99796	3.2
69.03434	2.4
69.07046	0.9
69.53718	3.4
71.01342	0.9
71.04979	0.6
75.61555	0.4
77.03910	2.0
78.30540	0.4
79.05495	2.1
81.03416	3.8
81.07044	1.8
83.04953	1.4
85.02906	3.6
87.00812	1.2
91.05482	2.8
93.07024	1.4
95.04961	4.0
95.08598	2.1
97.02317	0.4
97.02876	2.9
99.04433	0.5
103.03922	0.5
103.05462	2.2
105.01860	0.4
105.03394	2.9
105.07007	1.9
107.04944	4.4
107.08603	1.2
109.02875	1.8
109.10167	0.7
111.00814	2.9
111.04459	2.1
115.05441	3.5
116.06231	0.8
117.07017	1.4
119.04938	1.2
119.08584	0.9
121.06511	1.3
121.10148	1.5
123.04421	100.0
123.11732	0.5
124.04776	1.0
127.03878	2.3
128.06207	2.1
129.06987	2.6
131.04912	2.8
131.08553	0.9
133.06500	1.7
133.10129	0.5
135.04401	8.1
135.08034	0.6
135.11696	1.0
136.04858	0.4
137.05971	2.1
139.03905	3.0
141.05450	0.4
141.05879	0.4
141.06972	3.4
142.07784	0.6
143.04880	2.0
143.08549	1.5
144.05714	3.0
145.06483	1.8
145.10164	0.8
146.03613	0.7
147.04407	8.1
147.08035	0.5
147.11754	0.4
148.05168	0.6
149.05972	1.7
149.13223	0.8
151.03891	3.1
151.07536	0.6
152.06178	1.9
153.01842	0.6
153.07010	2.7
154.07710	0.6
155.04912	0.7
155.08539	1.1
155.97490	0.4
157.06479	2.1
157.10155	0.5
158.07237	2.3
159.04352	0.5
159.08046	1.4
160.05194	1.1
161.05974	10.7
161.07259	0.7
161.13234	0.5
162.06703	0.9
163.03894	7.1
163.07507	2.6
164.08307	0.8
165.07027	2.0
166.07849	0.6
167.08569	4.6
168.05714	0.7
169.04976	1.2
169.06496	3.8
170.07266	1.4
171.02966	0.7
171.04361	3.0
171.08034	2.4
171.43536	0.4
172.05179	1.3
173.06035	0.8
173.09628	0.7
174.03171	0.6
174.06778	3.4
175.07542	3.5
176.08366	0.5
177.05504	0.5
177.06938	0.5
177.09187	1.0
181.06444	3.5
183.04457	0.5
183.08015	1.4
184.05219	1.1
184.08801	0.6
185.05933	2.1
185.09616	1.4
186.06715	2.5
187.06038	0.8
187.07501	4.9
188.04712	1.1
188.08321	0.9
189.03920	0.7
189.05449	14.5
189.09068	0.8
190.06065	0.6
191.07013	6.6
195.08035	5.8
196.05379	0.4
197.05923	2.2
198.06720	1.2
199.03867	4.4
199.05528	0.5
199.07487	2.6
199.11176	0.7
200.04674	1.3
200.08235	0.7
201.05473	0.5
201.09105	7.1
203.07045	1.8
203.10655	1.7
204.07791	0.9
209.09705	0.8
211.07532	0.8
212.08336	1.1
213.05493	1.7
213.09106	3.6
214.06241	2.7
215.07028	1.2
215.10715	1.9
217.04964	11.0
217.08392	0.6
217.12218	0.7
223.07535	2.5
227.07199	1.9
227.10664	5.1
229.08545	2.8
231.06548	1.9
231.10233	1.1
232.07288	18.8
240.07829	0.6
241.08525	2.2
245.08133	1.6
245.11749	1.4
255.06543	1.2
255.10265	4.2
256.60693	0.4
258.08832	0.7
273.07642	16.5
273.11224	39.1
273.18622	1.2
273.25790	1.2
274.11642	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0758
Annotation	Butein
Peak:m/z	Relative Intensity
51.02411	0.5
51.31886	0.4
53.03947	1.0
55.01863	0.6
55.05507	1.1
55.33045	0.4
56.96558	0.5
57.07064	0.5
65.03939	1.2
67.05496	1.6
68.99783	3.2
69.07056	2.1
69.51681	3.3
70.31787	0.4
79.05499	2.4
81.03422	11.6
81.07051	3.2
83.08622	0.9
89.03918	5.4
91.05482	1.8
93.03363	0.5
93.07077	2.1
95.04986	1.2
95.08596	2.8
96.02104	0.7
96.69874	0.5
98.97572	1.2
103.05494	0.5
104.16887	0.4
105.07011	1.9
107.04946	3.7
107.08605	1.9
109.02874	1.5
109.10167	1.6
111.04408	2.5
116.98606	0.5
117.03386	8.2
117.07002	0.6
119.04960	0.8
119.08592	1.8
121.06481	0.8
121.10158	1.7
123.04436	10.9
123.05323	0.7
123.11710	1.0
125.09575	0.4
127.03903	1.8
129.06973	0.6
131.04947	0.9
131.08592	0.7
133.10101	0.7
135.04422	16.0
135.11687	0.9
137.02342	100.0
138.02654	1.1
139.03906	1.9
141.07027	0.8
143.08493	0.6
145.02844	8.3
145.06578	0.5
145.10135	0.8
147.04414	0.9
147.11678	1.3
149.05904	0.6
149.13255	1.2
153.06987	2.3
155.03386	1.9
157.10069	0.5
159.08122	0.5
159.11736	0.6
161.09665	0.5
163.03908	59.0
163.14807	0.6
164.04254	0.9
165.07018	0.6
169.01320	2.5
169.06519	0.8
171.04486	0.4
171.08047	0.6
175.14828	0.5
177.00639	0.7
181.06497	6.1
185.05919	1.9
187.07535	1.2
189.05386	0.7
199.07494	0.9
203.07060	0.8
209.05913	2.5
213.05475	0.9
213.09123	0.6
217.19383	0.7
227.07027	3.7
231.06580	0.4
237.05455	2.4
241.08609	0.6
255.04030	0.9
255.06523	12.1
255.17393	0.6
256.06857	0.5
258.05273	3.0
273.07581	66.6
273.18542	1.5
273.25757	3.2
274.07938	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0757
Annotation	2beta-5,7-Trihydroxyflavanone
Peak:m/z	Relative Intensity
53.03943	2.5
55.01854	1.4
55.05510	12.2
56.96568	8.7
57.03428	1.5
57.07063	3.9
62.60142	1.0
66.18324	1.0
67.01862	2.3
67.05505	19.6
68.99786	2.7
69.03416	2.7
69.07069	26.1
69.32141	8.1
69.32550	2.1
71.08611	1.9
73.14468	1.1
74.13209	0.9
77.03918	1.1
79.05491	13.7
81.03439	1.5
81.07059	35.9
83.04960	1.3
83.08612	7.6
91.05484	18.0
93.07047	23.4
95.04979	6.8
95.08607	40.0
97.02914	1.3
97.10178	4.0
98.97585	10.1
105.07032	13.6
107.04955	11.7
107.08595	24.5
109.02846	1.0
109.06496	2.4
109.10155	17.9
111.00846	1.6
111.11707	2.2
116.98641	11.2
117.07034	1.6
119.04945	22.4
119.08575	11.1
121.06499	3.9
121.10139	21.1
123.04432	32.0
123.11712	9.9
129.06996	1.5
131.08562	2.8
133.06390	1.5
133.10136	8.7
134.99661	7.4
135.04410	2.1
135.08049	1.4
135.11702	16.7
137.06097	1.4
137.13252	4.1
139.03918	3.0
141.94366	1.0
143.08563	2.4
145.10130	3.7
147.04411	49.4
147.11699	9.2
149.05966	2.3
149.09612	1.3
149.13252	13.7
151.03908	2.4
151.07555	1.8
152.06212	1.3
153.01828	100.0
153.06993	3.0
154.02173	1.7
157.10139	2.5
158.99649	2.3
159.11708	3.1
161.13264	9.2
163.03914	2.2
163.07497	1.2
163.14841	8.7
165.07072	1.6
167.07076	2.1
171.02893	4.0
171.11713	2.1
175.14813	4.1
176.28615	1.1
177.00662	5.9
177.16348	5.4
181.06499	4.6
182.61539	2.9
189.05545	2.3
189.16382	4.2
191.11984	1.4
191.17993	3.3
191.62131	2.5
203.12895	1.9
203.17964	3.7
213.09100	2.6
217.19485	6.3
231.21121	1.8
245.07935	1.4
255.06473	2.3
255.17513	1.7
267.05396	1.6
273.07578	74.5
273.18600	7.2
273.21518	1.2
273.22607	2.1
273.25742	24.4
273.28525	2.0
279.16379	1.7
288.58069	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0753
Annotation	2beta-5,7-Trihydroxyflavanone
Peak:m/z	Relative Intensity
55.05500	1.1
56.96550	0.9
59.34250	0.8
67.01851	3.7
67.05482	1.3
68.99779	3.7
69.03417	2.8
69.07057	1.0
69.50696	7.3
70.06556	1.2
79.05489	1.4
81.07050	1.6
81.82600	0.8
83.52682	0.7
91.05485	11.5
93.07037	1.6
95.04950	3.0
95.08600	1.1
97.02903	4.2
98.20748	1.2
98.97655	0.8
100.11255	0.9
103.05485	1.8
105.07024	2.6
107.04948	5.4
109.10137	1.0
111.00793	1.3
116.98579	0.9
119.04935	18.1
119.08592	0.9
121.02814	1.0
121.06499	4.9
123.04429	11.2
125.02333	1.3
127.03909	1.2
128.06224	1.0
129.06987	1.4
131.08569	2.1
134.99687	1.1
135.04460	1.3
137.02432	0.9
137.05957	1.1
143.08580	1.3
145.06427	1.0
145.10132	1.5
147.04410	45.3
148.04744	1.0
149.06023	1.4
151.03831	1.4
153.01825	100.0
153.06964	2.4
153.67848	0.8
154.02165	1.3
157.06442	1.1
161.05956	1.4
163.03906	1.7
171.02892	17.6
174.03064	2.6
181.06491	3.7
189.05460	19.4
199.07516	1.4
213.09151	1.3
215.07097	1.3
227.07005	1.5
231.06512	1.0
255.06590	5.5
260.74591	0.8
273.07568	68.7
273.18478	3.2
273.22049	1.1
274.07965	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0756
Annotation	2beta-5,7-Trihydroxyflavanone
Peak:m/z	Relative Intensity
50.04680	0.6
55.01892	0.7
59.40092	0.4
65.03954	0.8
66.82063	0.5
67.01860	2.7
67.11989	0.4
68.99787	3.2
69.03432	1.4
70.97989	0.6
70.98306	0.7
87.00838	1.0
91.05475	7.2
95.04967	1.8
97.02884	1.3
107.04951	2.6
107.98376	0.5
115.05441	4.9
117.05769	1.1
118.06530	1.2
119.04941	17.1
120.05280	0.7
123.04417	4.0
130.06516	7.2
132.08087	13.6
142.06516	4.9
144.08008	0.9
146.05998	1.0
147.04408	40.3
148.04675	1.1
151.03897	0.6
153.01819	100.0
154.02145	1.9
154.06546	0.9
156.08057	1.4
157.06465	0.5
157.07597	3.0
158.06015	1.1
158.08379	1.7
159.09169	33.2
160.07576	2.2
167.06010	1.2
169.07602	9.0
170.06001	17.5
171.02919	5.3
171.06470	0.8
172.07568	1.1
179.03468	0.8
181.07564	3.1
182.05980	1.0
183.09163	2.2
184.07565	6.5
185.07089	19.1
187.08659	8.7
188.07037	1.3
189.05431	1.7
196.80754	0.5
199.08752	0.8
200.07076	5.8
201.10184	4.0
209.07027	1.1
211.08694	0.6
227.08145	20.2
231.07532	2.3
234.59384	0.5
245.09206	22.2
246.09503	0.7
255.07692	3.2
273.07532	63.1
274.07809	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0758
Annotation	1-Hydroxy-7-hydroxymethyl-6-methoxyxanthone
Peak:m/z	Relative Intensity
54.19210	0.4
55.01881	1.9
55.05509	0.9
56.96548	1.1
65.03928	0.4
67.05499	0.6
68.99787	4.1
69.03391	0.4
69.07058	1.0
70.94828	0.4
71.01354	0.7
71.58174	0.6
79.05489	1.0
81.07053	2.6
83.08596	0.6
91.05484	2.2
93.07047	1.1
95.04968	0.9
95.08588	1.2
96.49364	0.4
97.02923	0.8
98.97587	0.4
105.06998	1.2
107.04938	0.7
107.08589	0.9
109.10152	1.0
115.05484	0.9
116.98593	0.6
117.07014	1.2
119.04913	0.6
119.08551	1.1
121.02844	3.6
121.06480	1.0
121.10144	0.9
121.37366	0.4
123.04446	4.8
128.06233	1.6
129.07022	2.7
131.08566	1.6
133.02846	1.7
133.10143	0.8
134.99681	1.0
135.04413	0.5
135.11717	0.7
137.02319	0.9
141.06976	1.5
143.08582	1.4
144.05656	0.4
144.07825	0.4
145.06482	0.7
145.10162	0.6
147.04413	0.7
147.08044	0.5
147.11678	0.6
149.05940	0.8
151.90013	0.4
152.06186	3.0
153.01878	1.2
153.06998	7.9
155.49416	0.4
157.06490	8.6
159.08083	0.8
161.13235	0.6
165.07001	1.6
169.06476	1.6
171.04428	0.5
171.07986	3.2
171.11772	0.6
179.03412	0.5
181.06471	19.3
182.07153	0.7
184.05206	0.6
185.05959	4.2
187.07526	1.9
189.05458	2.9
197.06010	0.7
198.06755	1.0
199.07553	10.0
209.05960	4.4
210.06691	1.2
213.05486	8.6
213.09073	0.8
215.07036	0.5
217.19487	0.5
226.06230	1.0
227.07033	17.3
228.07436	0.8
237.05443	2.8
241.08578	0.6
245.08063	1.5
255.06526	100.0
256.06839	2.8
273.04367	0.9
273.07556	7.1
273.10910	0.8
273.14395	0.4
273.18481	1.1
273.22391	0.6
273.25711	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0756
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.10091	0.9
55.05512	1.4
55.91802	1.0
65.03947	1.1
66.76620	0.7
66.79929	0.8
67.01863	2.9
67.05502	2.1
67.25624	0.8
68.99780	2.2
69.03429	2.2
69.07081	1.6
70.31383	0.9
70.98257	2.0
70.98590	1.0
79.05497	1.1
81.07059	3.8
85.02951	1.0
91.05486	11.7
93.07050	3.5
95.04971	4.0
95.08611	2.5
97.02879	3.4
98.97604	1.1
103.05470	2.3
105.07044	3.4
107.04947	5.0
107.08596	2.1
111.00780	1.5
119.04938	21.4
119.08593	2.9
121.06525	2.4
121.10147	1.0
123.04422	9.5
123.11729	1.0
129.07082	1.5
131.04967	2.0
131.08562	1.4
133.10162	2.1
137.05959	1.6
145.10133	1.3
147.04410	45.2
147.11681	1.9
149.05989	2.7
151.03922	1.9
152.06262	1.5
153.01830	100.0
153.07010	1.9
154.02147	2.0
165.06921	1.0
169.06461	1.5
171.02875	4.3
174.03204	1.1
175.14771	1.1
179.03470	1.4
181.06499	2.8
189.00723	1.1
189.05507	8.7
197.01262	1.0
198.06815	1.3
213.09074	2.4
213.18408	0.9
227.07095	1.2
241.08737	1.4
255.06435	1.9
273.07596	65.3
273.11069	3.7
273.18546	2.8
273.21616	1.2
273.25836	1.7
274.07980	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	273.0755
Annotation	75514-30-6
Peak:m/z	Relative Intensity
53.03936	1.9
55.01875	2.3
55.05515	3.0
56.96560	5.1
57.63523	1.5
64.59212	1.5
65.03944	1.9
67.05497	4.9
68.99789	5.4
69.03413	1.5
69.07059	2.8
71.04975	1.9
71.11958	3.9
72.68615	1.8
75.55526	1.4
76.33853	1.3
79.05486	5.6
81.03426	7.2
81.07047	5.3
83.04961	1.7
83.68933	1.5
85.02911	2.5
89.03902	4.7
91.05474	9.3
91.91595	1.7
93.07053	4.3
95.04964	7.0
95.08612	3.9
97.02882	14.2
103.05458	3.6
103.66965	1.5
105.03365	2.0
105.07033	6.5
107.04955	100.0
107.08605	3.9
109.10208	1.6
111.00785	5.5
111.04451	4.7
115.05415	3.1
117.03387	7.0
117.06995	4.0
119.04925	11.8
119.08546	3.4
121.02921	2.2
121.06495	10.0
121.10117	2.7
123.04426	57.7
123.11737	1.6
127.03892	1.7
128.06229	2.8
129.07005	2.7
131.04903	3.1
131.08578	4.8
133.06531	2.8
133.10129	3.5
134.99622	2.0
135.04413	15.4
135.11708	1.7
137.02341	60.5
139.03893	6.8
143.08553	4.0
145.02823	6.8
145.06502	1.9
145.10136	4.4
147.04416	12.3
147.11684	1.9
149.02394	5.9
149.05984	13.4
151.03905	3.8
152.06340	2.2
153.01811	10.3
153.07030	4.9
157.06505	3.9
157.10086	2.5
159.08076	2.2
161.05946	7.5
161.09662	1.9
161.87041	1.5
163.03905	37.1
163.05241	3.1
163.07545	2.7
167.07050	34.2
170.07407	2.0
171.03018	1.9
171.11685	2.3
174.03134	7.6
181.06458	10.0
184.05238	2.0
189.05467	55.7
198.06764	1.8
199.07483	9.0
207.06604	2.5
209.05991	4.4
213.09099	4.0
213.16345	1.8
215.07011	4.4
227.07037	8.6
236.48347	1.7
241.08707	2.3
255.06548	16.2
255.17761	1.8
258.05292	2.2
268.99829	2.0
273.04065	5.3
273.07581	72.1
273.11148	7.9
273.18515	6.2
273.22137	2.7
273.25797	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0756
Annotation	HYDRAMACROPHYLLOL A
Peak:m/z	Relative Intensity
51.02353	0.4
53.03931	0.9
55.05501	0.4
65.03938	0.5
67.05501	1.7
68.99784	1.8
69.07048	0.7
69.36505	1.3
69.36930	2.8
77.03525	0.5
77.03928	1.3
79.05487	0.6
81.07065	0.8
91.05468	1.4
93.07023	0.5
95.04965	3.1
95.08592	0.9
101.42728	0.4
105.03374	2.3
105.07011	0.7
107.04972	2.8
107.08551	0.6
111.00796	1.8
111.04451	0.5
119.04939	1.6
121.02866	0.4
121.06497	0.7
123.04422	100.0
124.04757	1.4
128.32370	0.4
131.08580	0.5
135.04411	4.9
135.11674	0.4
137.02321	0.9
139.03899	5.1
139.32973	0.4
141.06882	0.4
143.08574	0.5
145.06506	0.4
145.10121	0.5
147.04393	7.8
149.70155	0.4
151.03908	1.4
152.06284	0.5
153.01807	0.9
153.07008	0.5
161.05983	1.0
163.03911	3.3
163.07565	1.7
169.10100	0.5
181.06505	1.0
189.05453	2.6
199.07570	0.6
213.09003	0.6
227.07025	0.7
241.08516	0.6
245.08112	0.5
255.06566	0.6
273.07559	19.0
273.12027	0.8
273.18576	0.7
273.92059	0.4
274.08047	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0754
Annotation	2beta-5,7-Trihydroxyflavanone
Peak:m/z	Relative Intensity
51.95181	1.7
53.03938	2.7
56.16374	1.7
56.96568	15.0
65.03945	2.4
67.05511	2.4
68.99792	4.8
69.03416	4.1
71.42678	4.0
73.02906	4.4
81.03372	3.2
84.96020	4.2
85.02887	3.2
87.04480	2.5
89.05455	1.7
91.05469	6.5
95.04965	7.5
97.02892	15.4
98.97577	6.9
103.04445	1.9
105.03377	2.4
107.04965	4.4
110.97588	4.5
111.00790	4.5
116.98616	3.5
117.56649	1.9
119.04939	16.7
121.02851	1.9
123.04420	100.0
128.98624	9.8
131.04962	2.2
134.99699	3.3
135.04437	5.7
137.02335	5.3
143.00121	2.2
146.99693	11.1
147.04407	41.0
153.00568	4.4
153.01820	93.6
161.01190	3.9
163.03900	6.0
163.07553	2.5
170.05989	2.5
171.02893	4.4
189.05502	10.6
197.51416	2.1
198.01657	2.9
201.05608	2.6
237.02773	3.8
245.04259	2.2
245.09221	3.7
255.06479	2.7
257.04599	3.0
261.03384	5.1
270.04108	2.8
273.04068	12.0
273.07571	73.0
274.04678	3.1
274.07626	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	271.242
Annotation	Axerophthene
Peak:m/z	Relative Intensity
55.05507	8.3
57.07069	3.2
63.38314	1.2
65.03944	2.0
67.05503	17.7
69.06707	2.6
69.07062	17.8
69.86144	7.6
79.05495	10.9
81.06582	2.2
81.07053	38.8
83.08614	7.4
91.05486	9.5
93.07039	19.8
95.08054	2.4
95.08607	32.9
97.10174	1.9
103.05477	1.4
105.07029	22.5
107.08588	26.8
109.10148	31.2
117.07001	2.8
119.08584	24.4
121.10143	20.7
123.11694	14.1
131.08572	9.3
133.10132	16.7
135.11707	11.2
137.05960	4.5
137.13266	2.8
145.10126	16.1
147.11690	17.2
149.13240	17.6
151.03947	2.3
159.11684	21.7
160.12695	1.3
161.13251	22.1
163.14825	13.6
167.03488	1.6
171.11679	1.3
173.13226	12.4
175.14815	17.2
177.16377	5.2
187.14859	10.9
189.16388	6.5
189.69705	1.6
201.16414	17.3
203.18054	2.3
215.17946	23.5
216.18459	1.5
228.18971	1.5
229.19426	4.0
243.21013	1.5
255.89799	1.5
271.06073	4.0
271.08871	2.0
271.24210	100.0
272.24643	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.242
Annotation	Axerophthene
Peak:m/z	Relative Intensity
52.94849	1.4
53.03930	2.9
53.44695	1.3
55.01853	1.8
55.05509	14.8
56.96560	1.6
57.07067	4.8
67.05502	24.0
68.99786	7.1
69.03419	1.5
69.07069	18.6
70.04574	6.5
71.04990	1.9
79.05497	12.2
81.03413	3.5
81.07054	44.6
83.08624	8.6
85.02890	1.8
91.05476	14.4
93.07041	26.3
95.08603	41.8
97.10162	3.2
103.05403	1.7
105.03397	2.9
105.06384	2.7
105.07034	30.3
107.08595	27.5
109.06513	1.7
109.10152	28.0
111.00788	1.5
115.05447	3.5
117.06995	4.5
119.08575	32.6
119.09364	2.7
121.10133	22.4
123.11694	17.2
129.07034	1.8
130.07841	1.4
131.08586	12.4
133.10129	22.2
135.11688	12.9
137.02339	15.7
137.05956	1.5
137.13222	3.6
141.06978	3.9
143.08537	2.7
144.09242	2.1
145.10127	22.9
147.11690	18.8
149.13263	14.5
153.06995	3.3
155.04945	2.7
155.08650	2.2
157.06480	3.9
157.10112	2.8
159.08116	1.9
159.11691	24.6
161.02272	1.7
161.13263	22.0
163.14777	8.6
165.07001	6.6
168.05563	1.6
169.06436	5.3
171.11679	3.1
173.05946	5.4
173.13266	18.1
175.14832	17.2
177.16440	3.7
181.06555	3.7
183.04440	4.0
183.08051	5.8
183.09552	1.5
183.11682	1.5
185.06013	2.8
185.13358	1.9
187.14832	14.5
189.16432	11.5
197.05981	11.0
201.05479	7.6
201.16374	17.8
203.06985	2.0
211.07533	4.8
215.07057	9.3
215.17950	20.7
215.75734	1.4
220.64699	1.4
225.05457	11.6
225.10222	1.7
226.05890	1.9
229.05000	5.9
229.19493	4.0
239.07043	2.6
243.06551	4.3
253.05014	5.8
271.06024	72.4
271.09439	5.5
271.24191	100.0
272.06308	4.2
272.24548	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	271.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	14.7
56.96567	3.8
57.03417	2.6
57.07054	8.7
57.07312	1.8
67.05216	2.3
67.05503	21.7
68.99777	6.1
69.07063	17.0
70.54958	3.0
70.55360	5.0
71.08629	2.6
79.05492	12.5
81.07055	38.0
83.08604	9.1
91.03898	2.0
91.05473	14.5
93.07030	15.7
95.08608	38.7
97.10170	3.6
105.07020	24.3
107.08585	31.8
109.06465	2.3
109.10162	28.5
110.79450	2.6
116.98667	2.3
117.06992	7.7
119.08575	43.4
121.10129	22.4
123.11684	10.1
129.06998	3.0
131.08565	14.1
133.10146	21.6
135.11670	10.7
137.13365	2.5
141.06944	3.1
143.08540	3.7
144.09364	4.1
145.06445	2.7
145.09030	3.9
145.10117	40.5
146.10445	2.4
147.11673	12.6
149.13243	8.6
155.04921	3.0
157.10135	4.5
159.08037	3.4
159.11682	54.5
161.13254	20.8
163.14813	11.4
169.06535	2.6
171.11681	3.8
171.22174	2.3
173.05875	3.6
173.13246	18.3
175.14833	14.2
177.16420	4.6
183.04382	3.2
187.14796	24.5
189.16360	4.5
193.87637	2.2
197.05966	3.3
201.05482	6.8
201.16393	21.0
203.07011	3.1
215.10648	2.3
215.17963	20.7
225.16628	2.2
229.04971	4.9
229.19322	5.0
271.06036	27.8
271.08963	4.3
271.16815	5.4
271.24188	100.0
272.06393	2.6
272.25497	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	271.242
Annotation	Axerophthene
Peak:m/z	Relative Intensity
53.03946	2.9
55.05516	12.4
56.96549	3.1
57.07062	6.6
60.78494	2.6
67.05226	1.9
67.05505	21.6
68.99778	8.1
69.07068	18.4
70.56201	9.1
71.08617	3.0
72.37244	2.2
75.24011	2.2
79.05463	7.5
81.07053	30.2
83.08607	9.4
91.05457	14.1
93.07051	17.5
95.04948	4.5
95.08600	34.7
97.06496	2.4
97.10197	3.2
105.07030	24.6
107.08591	22.2
109.10152	30.3
109.10847	4.1
116.98637	2.2
117.07032	6.3
119.08576	34.5
121.10112	16.1
122.84777	2.2
123.11691	9.7
129.07092	2.8
131.08571	12.2
133.10126	23.4
135.11713	8.5
143.08527	5.0
144.05739	2.5
145.10114	33.7
147.11693	12.0
149.13234	8.6
151.11198	5.1
155.04817	2.9
155.08604	2.1
157.06468	2.4
157.10114	3.3
159.11693	50.0
161.13252	16.5
163.14830	9.5
169.06403	2.9
173.06032	3.9
173.13269	18.1
175.14864	11.1
177.16376	3.9
183.04398	6.0
187.14828	17.3
189.16396	4.5
197.05948	4.2
201.05519	4.4
201.16434	22.2
203.07143	2.3
215.17833	15.9
229.04930	7.7
229.19496	4.7
271.05972	26.4
271.15247	3.1
271.24185	100.0
272.24869	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	271.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31673	1.1
52.43845	1.1
52.44103	1.4
53.03934	4.1
54.15652	1.1
55.01873	4.2
55.05512	41.0
56.08118	1.1
56.96563	1.7
57.03184	2.1
57.03439	26.6
57.07074	4.8
59.05001	1.6
60.43175	1.2
65.03938	3.4
67.05507	67.0
68.99791	11.2
69.03448	1.9
69.07068	35.4
70.19741	3.0
70.20145	4.0
71.04999	16.6
71.08596	2.1
79.05490	30.1
81.03421	1.8
81.07058	99.7
83.04988	5.8
83.08615	22.3
85.02896	1.7
85.06536	10.4
91.05480	30.7
93.07043	28.5
95.04981	7.5
95.08608	100.0
96.08958	1.8
96.59365	1.1
97.02908	1.5
97.06526	15.0
97.10172	6.9
98.21432	1.7
98.52540	1.2
98.97598	1.7
99.08095	6.2
103.05406	1.4
105.07034	24.1
107.04962	1.4
107.08593	17.9
109.06520	4.7
109.10161	24.2
111.08083	4.6
115.05460	3.8
116.98623	2.0
117.07044	2.4
119.04959	1.9
119.08584	33.3
121.06549	1.7
121.10133	13.2
123.08073	5.5
123.11713	4.0
129.07013	3.7
131.04906	1.5
131.08589	7.5
133.10126	19.5
134.03761	1.3
135.11670	11.6
137.05922	1.7
137.09605	3.9
137.13264	7.8
141.06992	5.7
145.10124	8.7
147.11688	5.2
148.07451	1.7
149.13286	3.8
152.06306	1.4
153.07008	5.4
155.04929	4.1
155.08577	3.7
157.06514	3.7
157.10158	2.5
159.11670	8.9
161.13263	30.3
162.13658	1.2
163.14845	2.4
165.06995	11.5
168.05711	1.8
169.06461	4.1
173.06006	8.8
173.13281	6.0
175.14821	4.2
179.14339	10.8
181.06444	2.5
183.04430	4.7
183.08131	7.2
185.06015	3.4
187.03883	1.6
187.14874	3.5
189.16435	3.4
189.35455	1.3
197.05978	6.2
201.05461	7.4
201.16324	4.8
203.07030	4.0
211.07617	8.5
213.05481	1.5
215.06984	3.0
215.18002	7.4
221.06122	2.0
225.05472	4.0
228.07823	2.1
229.04964	13.9
229.19493	2.3
239.07071	3.4
243.06535	5.3
253.04973	2.9
266.15405	1.4
271.06030	43.0
271.09692	12.7
271.14365	1.7
271.19031	40.6
271.24072	25.3
272.06317	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	271.1904
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
53.03928	2.5
55.01860	2.8
55.05509	41.7
57.03438	30.3
57.07054	2.8
65.03930	2.7
67.05503	55.8
68.99776	2.7
69.03434	1.1
69.07068	33.2
69.57460	7.7
71.04997	12.4
71.08609	1.3
73.06540	1.5
78.90990	0.9
79.05492	26.4
81.07055	92.1
83.04987	5.9
83.08617	22.8
85.06539	8.7
91.05478	21.1
92.38567	1.0
93.06473	1.7
93.07043	24.6
95.04948	3.9
95.08604	100.0
97.06524	13.8
97.10157	6.6
98.21492	1.3
99.08083	4.7
101.05996	1.0
105.06388	1.6
105.07037	21.8
107.08595	14.5
109.06490	2.9
109.10158	15.5
111.08087	5.5
113.06005	1.3
113.09653	1.2
117.06988	1.7
119.08576	25.8
121.10149	8.0
123.08050	5.3
123.11682	3.5
125.09608	1.6
127.07549	1.7
131.08548	3.8
133.10130	17.8
135.11679	10.6
137.09601	3.2
137.13237	6.4
141.06952	1.2
141.09026	0.9
145.10132	3.8
147.11658	2.5
149.13245	3.0
153.07018	1.2
155.04893	1.2
155.08511	1.2
157.06461	1.2
159.11694	5.0
161.13251	27.2
162.74107	0.9
163.14813	1.5
165.06982	3.1
173.06010	2.4
173.13254	3.4
175.14835	2.0
179.14293	9.0
183.04453	1.5
183.08105	1.8
187.14828	1.7
189.16464	1.4
197.05981	2.1
201.05420	1.4
201.16360	2.3
211.07526	3.5
215.17928	2.3
225.05353	1.4
229.04916	3.3
233.30457	0.9
253.18024	1.6
271.06006	11.9
271.09659	4.3
271.16153	2.0
271.19034	37.5
271.23984	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	271.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
53.26738	1.0
55.01855	2.8
55.05515	41.3
56.96557	4.3
57.03439	29.1
57.07055	3.1
65.03925	2.4
65.09322	0.9
67.05505	58.0
68.94643	1.0
68.99790	3.6
69.03413	2.8
69.07071	39.4
71.04599	2.8
71.04982	13.1
73.06562	1.5
79.05493	30.4
79.11323	0.9
81.07059	100.0
83.04985	5.3
83.08621	22.6
85.06544	8.6
91.05484	27.4
91.78650	1.0
93.07044	27.7
93.16589	0.9
95.04964	3.7
95.08608	98.9
96.08958	1.7
97.02884	1.1
97.06533	14.7
97.10178	5.5
98.97588	2.4
99.08099	5.7
105.07037	29.4
107.04951	1.3
107.08595	15.2
109.06512	4.6
109.10157	17.9
111.08092	4.8
113.09676	1.2
116.98652	1.1
117.06998	4.6
119.08583	30.3
121.10149	12.1
123.08083	6.1
123.11715	6.2
127.07611	1.4
129.07071	1.7
131.08554	5.0
133.10129	19.5
134.30096	1.2
134.99609	2.1
135.11716	10.9
137.09586	2.7
137.13301	6.1
143.08571	1.8
145.10141	7.0
147.11679	7.9
149.13249	5.9
153.01822	1.2
153.06960	1.2
155.04904	1.3
155.08534	1.8
157.10103	2.0
159.11687	11.8
161.13266	28.3
161.14607	1.4
163.14777	2.5
165.06999	4.3
169.10133	1.4
171.11665	1.1
173.05972	2.8
173.13271	7.4
175.14862	4.0
177.00673	1.7
179.14270	9.2
182.11417	1.9
183.04449	1.5
183.08044	2.5
185.11858	1.2
187.14801	6.6
189.16373	2.7
191.11932	2.9
196.05272	1.0
197.05952	1.6
201.05516	2.1
201.16417	6.6
204.43401	1.1
211.07501	3.9
215.17917	5.0
225.05458	1.8
229.04979	3.4
229.19505	1.9
253.05060	1.7
253.18011	1.7
257.04260	1.2
271.06003	13.8
271.09576	3.9
271.19067	34.9
271.24115	24.4
272.06485	1.4
272.14493	1.5
272.19534	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
55.01857	1.2
55.05513	12.9
57.03154	0.4
57.03437	8.0
57.07068	0.7
65.03934	0.9
66.20793	0.3
67.01879	1.7
67.02179	0.4
67.05505	17.0
68.99789	3.3
69.03416	0.7
69.07070	9.9
69.41618	0.8
69.42025	2.8
71.04998	3.4
73.06585	0.4
79.05067	0.5
79.05495	7.0
81.03426	0.4
81.07057	26.4
83.04964	1.4
83.08617	6.5
85.06538	2.1
91.05479	10.3
93.07043	7.4
95.04948	1.4
95.08607	28.4
97.06536	4.1
97.10169	1.6
98.21489	0.8
99.08099	1.2
105.07022	6.1
107.08592	3.2
109.06504	0.8
109.10155	4.2
111.00818	0.5
111.08084	1.5
115.05386	0.5
117.07005	0.6
119.04953	5.6
119.07788	0.7
119.08578	8.6
119.69094	0.4
121.02883	1.8
121.10120	1.8
123.08073	2.1
123.11680	0.7
127.07568	0.6
129.06993	1.4
131.08563	0.7
133.10129	4.6
135.11725	2.1
137.06013	0.5
137.09608	1.1
137.13240	1.7
141.06964	1.1
143.08536	0.6
145.02754	1.7
145.10083	1.1
147.11671	0.6
149.13263	1.0
151.03947	0.4
153.01831	10.9
153.06935	0.7
155.04906	0.6
155.08572	0.8
157.06522	0.7
157.10086	0.6
159.06822	0.6
159.08064	7.0
159.11679	1.5
161.13264	7.5
163.03894	0.9
165.06998	1.4
168.05756	0.5
169.06519	0.8
171.02937	2.5
173.06001	1.0
173.09512	0.5
173.13202	0.5
175.14806	0.4
179.14317	2.6
183.04460	0.8
183.08075	0.9
185.05956	0.8
185.09679	1.7
187.03958	0.4
187.14857	0.6
197.05994	1.5
197.09595	0.6
198.12799	0.5
201.05533	0.9
201.16345	0.7
203.07010	0.7
211.07471	0.5
211.11330	0.5
213.10074	0.5
215.07053	0.4
215.18013	0.5
218.21843	0.3
225.05455	1.4
225.16382	0.5
226.12210	0.5
227.11674	0.7
229.04970	2.0
243.06555	1.2
243.10059	0.5
243.14938	0.8
253.15796	1.0
253.18108	0.5
256.12064	0.4
271.06015	100.0
271.19101	10.2
271.23941	3.2
272.06345	6.1
272.09567	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.4
55.05495	2.4
63.91422	0.6
65.03922	1.2
67.05513	3.3
68.99444	1.1
68.99792	16.3
69.03427	0.7
69.07058	3.5
70.06567	2.2
71.05004	1.4
71.17641	1.2
72.08183	0.6
79.05499	4.3
81.03410	2.1
81.07064	7.3
83.04959	1.4
83.08608	1.9
85.06541	1.6
86.09695	1.0
91.05489	4.2
93.07039	6.6
95.04973	2.6
95.08598	2.5
97.06529	4.2
98.97572	0.7
99.04494	0.9
102.05562	0.8
103.05471	0.8
105.07026	5.8
107.04961	1.3
107.08586	2.9
109.06495	3.1
109.10134	2.0
111.00803	2.1
111.04417	0.9
111.08075	1.8
113.05956	0.8
115.05431	1.8
116.07084	2.9
117.06982	1.1
119.04954	1.0
119.08553	2.4
121.02901	0.7
121.06506	7.4
121.10098	0.7
123.04372	0.7
123.08083	0.7
123.11642	0.9
125.05978	1.3
127.07561	1.7
128.06178	0.9
129.07010	3.0
131.04958	1.4
131.08507	1.1
133.06514	1.2
133.10114	1.7
133.98044	0.7
135.04378	3.9
135.08023	1.3
135.11604	0.8
137.02328	9.8
137.05956	2.3
139.07533	2.7
141.06982	4.9
143.07149	0.6
143.08549	1.7
145.06485	2.3
147.11693	4.1
148.06088	1.1
149.02316	1.6
152.06209	1.3
153.07025	3.9
155.03386	3.0
155.04910	4.6
155.08572	1.6
156.52176	0.6
157.06483	5.0
157.08606	2.3
157.09958	0.8
161.02342	4.5
161.13310	1.1
165.05733	1.1
165.07011	7.4
165.12804	1.6
167.06985	0.8
168.05751	1.5
169.06471	4.5
171.11655	1.8
173.05978	10.8
175.07561	1.3
175.09758	0.7
175.11211	2.3
181.06459	3.0
182.07242	0.8
183.04428	7.4
183.08002	4.2
185.05933	4.3
187.03947	1.6
187.07449	0.8
189.12755	1.9
193.06470	0.9
193.12212	1.8
196.05089	0.7
197.05896	6.3
199.07361	0.7
199.11275	1.9
200.08362	0.6
201.05449	9.6
203.07028	4.3
207.13805	1.5
211.03961	1.3
211.07570	4.0
211.13161	1.0
215.07039	2.8
217.12267	5.7
221.05975	0.9
225.05484	4.6
226.05928	0.7
229.04958	12.8
235.13321	4.6
239.07043	1.2
243.06314	3.1
253.04953	5.5
253.14337	2.6
254.67590	0.7
271.06018	100.0
271.09564	7.9
271.20871	1.1
272.06366	4.3
272.09866	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01865	4.0
55.05490	2.4
55.13329	0.6
56.96563	0.9
57.03434	4.3
57.07057	1.1
65.03928	2.6
67.05493	2.7
68.99793	4.3
69.03427	0.9
69.07050	1.2
69.23068	0.7
70.06587	3.2
70.38887	1.4
70.39283	1.2
72.08152	5.9
73.02917	28.0
75.04469	3.0
79.05484	1.8
81.03467	0.7
81.07071	0.9
84.04542	0.7
85.02905	1.9
87.00786	0.7
91.03945	2.5
91.05472	4.2
92.05836	0.8
93.03380	1.5
93.07040	1.0
95.04953	2.4
95.06093	0.6
95.08567	0.7
97.02883	0.8
98.97568	1.0
103.05448	0.9
103.07513	0.8
105.07017	1.2
107.04980	1.2
109.06551	1.3
110.03674	5.3
111.04449	8.4
116.07097	2.6
116.98600	0.7
119.04954	2.7
121.06486	1.2
122.03616	0.8
123.04425	2.0
125.05991	42.4
127.73856	0.7
130.06519	8.8
131.04956	0.7
135.08073	1.0
137.05978	5.9
138.06337	3.1
141.05441	4.0
142.06546	0.8
147.04405	1.2
147.06549	3.0
149.05984	3.2
150.81964	0.7
151.03905	100.0
151.05002	7.5
151.07475	6.3
152.04198	1.1
153.01849	0.9
155.04863	1.9
157.06352	1.2
157.07611	18.0
158.05977	1.3
163.07510	2.7
165.07069	1.0
167.07040	2.5
169.06348	0.8
169.07661	1.5
173.06003	3.4
179.05467	1.2
179.07043	20.1
182.05830	0.8
183.04346	1.7
185.07201	1.3
187.03902	0.7
195.72754	0.7
197.08171	17.8
198.05460	0.7
199.02232	0.7
201.05449	2.2
203.08177	2.6
209.13701	2.8
211.07834	0.6
215.07076	1.0
225.05276	0.9
225.07466	2.3
227.09076	0.7
229.04915	4.0
239.06830	0.9
241.42081	0.7
243.07661	1.5
253.04948	1.5
253.10605	3.3
253.16380	1.1
258.05707	1.3
271.05960	10.2
271.11862	15.0
271.16620	1.3
277.67358	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0966
Annotation	(-)-Medicarpin
Peak:m/z	Relative Intensity
53.03931	1.5
55.05505	1.4
57.07080	0.8
62.67153	0.7
63.46828	0.7
65.03959	1.0
67.05484	2.2
68.99783	1.0
69.07050	1.2
71.32630	1.6
76.19752	0.7
79.05489	5.7
81.07054	4.3
91.05453	1.6
93.06997	1.0
94.04140	1.5
95.04963	3.0
95.08601	1.6
97.76823	0.7
105.03321	0.8
107.04955	1.3
109.06512	9.8
109.10145	0.8
109.21004	0.7
117.20718	0.7
119.05035	0.8
119.08562	1.8
121.06505	1.5
121.10130	0.8
123.04432	10.9
123.11629	0.8
131.08510	1.0
133.06467	1.0
135.04395	1.2
137.05974	100.0
138.06255	1.7
146.03653	0.8
147.04414	5.4
147.11684	1.2
149.05974	1.3
151.03909	1.0
159.08058	1.4
159.11676	1.3
161.05962	9.6
163.03964	1.3
173.13197	0.8
177.05484	0.9
202.78616	0.7
243.10136	1.4
253.05052	0.7
271.06076	3.3
271.09644	7.6
271.24203	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0965
Annotation	Methyl-liquiritigenin
Peak:m/z	Relative Intensity
53.73612	0.3
55.01860	0.9
55.05505	1.2
56.96562	0.4
57.07072	0.4
65.03938	2.0
67.05501	2.8
68.99792	5.4
69.07065	1.7
71.03898	0.8
71.08617	0.3
76.65516	0.3
79.05494	1.5
81.07062	3.5
83.04950	0.4
83.08632	0.8
85.06563	0.4
91.05477	3.1
93.07043	1.7
95.04972	2.2
95.08633	2.2
105.03386	0.4
105.07009	2.0
107.04942	0.6
107.08568	2.2
108.02108	3.4
109.02864	0.5
109.06536	0.6
109.10145	1.8
111.00768	0.4
111.04427	1.3
111.11796	0.4
115.05418	0.8
116.98622	0.4
117.07024	0.8
119.04954	2.4
119.08588	1.7
121.02884	1.0
121.10138	1.2
123.04421	1.2
123.11714	0.8
128.06198	0.5
129.07036	0.6
129.74773	0.4
131.04939	0.6
131.08546	1.2
133.10158	1.4
135.11681	0.7
137.05989	0.8
140.40878	0.3
141.06964	1.8
143.08554	0.8
144.05661	0.4
145.06512	0.4
145.10143	1.4
147.04411	3.9
147.11691	1.1
151.03902	100.0
152.04225	1.2
152.06270	0.5
153.07022	1.0
154.02605	2.0
155.04910	1.0
155.08588	0.8
157.06490	1.6
157.10181	0.8
159.08070	1.2
159.11693	1.2
161.06024	0.5
161.13246	0.6
163.14780	0.3
165.06982	2.8
168.05696	1.1
169.06497	1.4
172.05141	0.4
173.06003	2.5
173.07300	0.4
173.09584	0.4
173.13295	0.9
175.14862	0.6
177.05458	0.5
181.06497	1.3
182.07269	0.3
182.17297	0.3
183.04410	1.5
183.08052	1.6
185.05989	1.2
187.03888	0.6
187.07509	0.4
187.14726	0.5
193.06465	0.7
196.05147	0.9
197.05963	3.1
199.07527	0.4
200.04735	0.5
201.05515	2.4
201.16359	0.9
203.07056	1.1
210.06673	0.3
211.07559	3.1
213.05261	0.4
215.07112	1.0
215.10883	0.4
215.17958	0.7
221.05994	0.7
225.05424	2.5
228.04121	0.6
228.07658	0.9
229.05023	3.7
239.07072	1.8
240.07716	0.8
241.04945	0.5
243.06508	0.9
243.10130	0.7
253.05042	0.8
253.08751	0.5
256.07172	1.7
270.63669	0.4
271.06058	13.2
271.09653	28.2
271.17026	1.5
271.21002	0.6
271.24088	3.3
272.06631	0.8
272.10056	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0963
Annotation	Pinostrobin chalcone
Peak:m/z	Relative Intensity
53.03916	1.5
53.44117	1.4
55.05515	2.1
56.96562	4.6
67.05508	4.2
68.99802	5.9
69.07059	3.6
70.83788	3.1
70.84123	2.0
71.04931	1.4
79.05497	2.7
81.07067	7.0
83.08617	1.8
90.46579	1.4
91.05483	5.8
93.07066	5.3
95.08616	6.4
99.04470	1.9
103.05490	5.6
105.07063	5.2
107.08620	4.0
109.10136	2.5
119.08592	3.6
121.10190	3.7
123.11767	2.4
124.01595	2.0
126.48410	1.6
127.03846	2.8
131.04915	9.3
133.10121	2.6
135.11673	2.1
137.05975	5.2
141.06993	2.2
145.10152	2.3
147.04445	4.3
147.11659	1.7
149.02438	1.7
149.13287	2.3
152.96660	1.7
156.13901	1.7
159.11673	1.8
161.13306	2.3
165.07019	4.9
167.03394	100.0
169.06541	2.7
170.02147	5.4
170.15417	2.3
177.00658	1.6
183.08130	2.2
184.13287	3.7
197.06085	2.6
197.28174	1.6
198.14944	2.2
201.05542	2.2
211.07587	2.4
215.10686	1.7
229.05183	1.6
243.06445	1.7
271.06128	11.5
271.09708	47.1
271.24136	12.1
277.51657	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0964
Annotation	Pinostrobin
Peak:m/z	Relative Intensity
53.03937	0.7
63.34350	0.4
68.99779	1.9
71.58198	0.6
72.75996	0.4
81.03420	0.6
85.60337	0.4
91.05479	1.6
92.71665	0.4
97.02880	0.6
99.04445	0.4
102.22259	0.4
103.05463	5.0
109.48764	0.3
111.04436	0.9
124.01574	3.0
131.04929	7.1
137.05969	0.7
141.07027	0.6
151.03917	0.5
151.41895	0.4
152.01012	1.9
167.03400	100.0
168.03743	1.4
170.02126	6.4
201.05534	0.4
229.08702	0.5
271.09628	21.5
272.09863	0.4
289.64749	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.06
Annotation	Thunberginol A
Peak:m/z	Relative Intensity
55.01855	3.4
57.07067	1.5
57.75619	0.8
65.03938	1.0
67.05489	1.7
68.99789	40.3
69.07069	1.9
70.11615	4.4
70.77747	0.8
71.01339	1.4
76.23656	0.9
78.99587	0.8
79.05521	1.3
81.07038	3.5
83.08586	1.0
91.05479	5.7
93.07018	1.7
95.08605	1.9
96.08851	1.1
103.05476	7.3
105.07053	4.3
107.04939	3.7
107.08621	1.5
109.10140	2.0
115.05441	6.1
117.07018	6.5
119.04964	1.5
119.08582	3.2
121.02856	2.5
121.10148	1.0
123.04424	3.0
127.05469	1.0
128.06241	1.9
129.07001	3.9
131.04933	15.4
131.08566	4.0
133.06487	1.3
134.03625	4.4
135.11661	1.2
137.06017	2.2
141.06982	14.6
144.05687	2.6
145.06482	16.1
145.10133	1.4
147.04404	7.5
147.08040	3.1
149.02303	2.0
151.03854	3.0
152.06183	1.0
153.06934	1.3
155.04904	3.2
155.06076	2.9
157.06502	3.8
159.04387	1.9
159.08058	5.3
159.11621	1.5
160.05209	3.3
161.05949	6.9
167.03415	4.9
169.06490	12.0
171.04404	1.2
173.05988	50.7
174.06581	2.8
175.07510	6.9
181.06584	1.0
183.04411	2.1
183.08044	1.1
184.05199	1.2
185.06055	4.9
187.07527	10.9
197.05978	34.9
198.06366	2.9
199.07660	1.3
200.04655	2.6
201.05470	20.3
201.07213	1.9
202.06189	2.0
203.06999	2.0
211.03983	2.3
213.05424	2.9
214.06090	1.4
215.07018	27.1
215.09135	1.5
215.18016	1.1
225.05481	13.1
229.04964	5.8
242.05595	3.2
243.06519	47.5
253.04970	10.1
253.07532	1.1
253.08604	1.3
271.06003	100.0
271.09268	8.4
271.18668	2.2
271.23975	4.4
272.06390	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0599
Annotation	Apigenin
Peak:m/z	Relative Intensity
55.01850	0.3
57.07048	0.3
65.03927	0.4
67.01865	1.7
67.05468	0.4
67.82560	0.2
68.71531	0.2
68.99434	0.4
68.99789	4.8
69.03419	0.4
69.07047	0.4
70.24742	0.2
71.57809	0.4
79.05459	0.5
81.07040	0.7
81.83318	0.2
83.04964	0.2
85.02894	0.3
85.06520	0.2
91.05475	2.7
93.07017	0.5
95.04918	0.4
95.08583	0.4
97.02838	0.2
105.07023	0.6
107.04961	0.4
109.06490	0.3
111.00790	0.6
115.05446	0.4
119.04941	4.5
121.02859	2.0
121.06470	0.5
127.03873	0.4
129.01857	0.2
129.06970	0.5
131.04906	0.3
133.10133	0.3
137.05923	0.7
141.06958	1.4
145.02838	1.1
145.06441	0.4
147.08028	0.3
147.11647	0.3
149.02367	0.5
153.01822	10.2
155.04938	1.2
157.06473	0.8
159.04385	0.4
163.03896	1.0
165.06993	0.4
169.06500	1.2
171.02881	2.1
173.05991	2.9
181.06569	0.3
183.04384	1.0
185.05966	0.7
187.03891	1.0
197.05992	2.5
200.04608	0.3
201.05426	2.8
203.07085	1.3
211.07436	0.4
215.06984	0.9
217.12123	0.3
225.05472	2.3
229.04948	3.5
243.06508	1.7
253.04858	1.9
271.05994	100.0
272.06339	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	271.0599
Annotation	5,7,2'-Trihydroxyflavone
Peak:m/z	Relative Intensity
50.70959	0.3
53.03944	0.4
54.11679	0.3
55.01862	0.4
55.05499	0.4
57.17244	0.3
65.03928	0.5
66.62938	0.3
67.05498	0.7
68.99792	2.5
69.07049	0.3
69.42955	0.3
71.28136	0.9
79.05502	0.8
81.03387	0.7
81.07043	1.1
86.95432	0.4
89.03893	0.6
91.05482	1.1
93.07020	0.4
95.01376	0.5
95.04964	0.4
95.08602	1.0
105.07028	0.5
107.08631	0.4
109.10136	0.9
111.04443	0.9
117.03324	0.8
118.06550	1.4
118.42014	0.3
119.04980	0.8
119.08590	0.9
121.02894	0.4
121.06474	0.7
124.07598	4.1
127.03905	0.6
133.10129	0.4
135.04424	3.3
137.02332	8.9
141.06963	1.0
146.06012	0.5
147.11653	0.5
148.07556	3.0
153.01817	1.9
155.03394	2.8
155.04729	0.7
161.02344	4.9
161.13278	0.4
165.07021	0.7
169.06487	0.8
173.05957	0.7
185.05975	0.6
197.05969	0.9
211.07550	0.5
225.05505	1.0
229.05009	1.0
243.06439	0.9
253.04907	0.8
271.06009	100.0
271.17877	1.1
271.20901	0.9
271.24020	1.8
272.06375	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0601
Annotation	Apigenin
Peak:m/z	Relative Intensity
53.03936	0.4
55.01866	0.4
55.05510	3.2
57.03436	1.8
65.03928	0.7
67.01874	1.7
67.05502	4.2
68.99787	2.0
69.03418	0.4
69.07068	3.0
71.04983	0.7
71.32159	0.3
71.32500	0.4
77.32181	0.3
79.05490	2.1
81.07053	6.4
83.04959	0.4
83.08619	1.4
85.06527	0.6
91.05474	4.3
91.50639	0.3
93.07036	1.8
95.04962	0.6
95.08607	7.2
97.06511	0.8
97.10156	0.4
99.08106	0.4
105.07034	1.7
107.08577	0.8
107.86976	0.2
109.06550	0.4
109.10155	1.3
111.00788	0.3
111.08038	0.3
117.06989	0.3
119.04939	6.3
119.08577	2.3
121.02867	1.6
121.10165	0.6
123.08056	0.2
123.11697	0.3
125.09670	0.2
129.01843	0.5
129.06978	0.6
131.04878	0.2
131.08578	0.5
133.10144	1.8
135.11679	1.0
135.98491	0.2
137.13203	0.4
141.06993	0.9
142.07745	0.3
144.05719	0.3
145.02815	1.9
145.06384	0.2
145.10112	0.7
147.11736	0.4
149.02309	0.4
153.01828	11.6
153.90601	0.3
155.04884	0.4
157.10147	0.4
159.04376	0.3
159.08003	1.5
159.11707	0.9
161.13249	2.1
163.03920	1.0
165.07019	0.6
169.06473	0.7
171.02858	1.6
173.05954	0.7
179.14217	0.5
183.04404	0.4
185.05945	0.4
185.09612	0.5
187.03908	0.3
197.06020	0.8
201.05476	0.6
203.07048	0.5
211.07443	0.4
215.06993	0.8
215.17921	0.5
225.05423	0.8
226.12325	0.3
229.04961	1.0
243.06496	1.4
243.14923	0.4
253.04869	0.4
253.15843	0.3
271.06003	100.0
271.19089	2.7
271.24084	1.3
272.06305	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0598
Annotation	Emodin
Peak:m/z	Relative Intensity
55.01857	1.2
56.96553	1.3
63.02373	0.5
65.03937	1.0
67.05489	0.7
68.46914	0.5
68.99772	1.3
69.07060	0.6
69.73233	3.2
71.01330	0.5
77.03887	0.6
79.05473	0.8
81.03411	3.5
81.07045	0.9
84.96019	0.5
89.03905	1.9
91.05471	1.4
95.04940	1.2
95.08591	0.8
98.97569	1.6
105.03405	3.3
105.06980	0.9
107.04929	2.0
109.02878	1.1
110.97649	0.6
115.05434	2.0
116.98605	1.7
117.03347	1.0
121.02863	0.7
121.06453	0.7
127.03860	0.7
128.98642	0.7
129.06973	0.9
131.04903	0.6
131.08539	0.8
134.99707	0.6
135.04396	2.4
137.02333	40.6
141.06993	6.8
144.05659	0.7
145.06480	1.6
145.10083	0.5
146.99556	0.6
147.04402	1.5
149.02344	1.7
152.06219	1.2
153.07031	1.1
155.04909	0.8
157.06503	0.6
158.99533	0.6
159.08070	1.2
161.02332	4.5
163.69803	0.4
165.07019	0.7
167.03381	1.4
169.06477	6.5
171.19989	0.4
173.05963	1.5
175.03909	0.7
181.06487	3.6
183.04399	0.8
183.08020	0.8
185.06001	0.5
187.03403	1.1
187.07547	2.7
193.04921	0.8
196.03793	3.0
196.54132	0.6
197.05975	12.8
200.04735	2.3
201.05484	2.7
211.07579	0.8
213.05470	0.7
215.07028	20.9
216.07437	0.5
224.04755	1.0
225.05458	21.7
229.04930	0.7
237.02895	0.5
243.06569	4.1
243.10175	0.8
253.04985	7.7
271.06006	100.0
271.24203	1.0
272.06137	2.2
284.06757	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0599
Annotation	5,7,3'-Trihydroxyisoflavone
Peak:m/z	Relative Intensity
50.91956	0.7
53.03947	0.8
55.01857	2.0
59.77169	0.6
61.59766	0.6
65.03932	3.5
68.99789	10.0
70.74993	1.5
83.09586	0.8
91.05477	10.7
92.63630	0.8
95.01316	1.0
105.03336	0.7
107.04944	6.6
111.00781	1.0
115.05428	2.1
119.03255	0.8
119.04930	6.2
121.02869	15.8
128.06233	1.4
129.06985	1.3
131.04926	4.2
131.08557	1.8
133.02817	1.0
133.06476	0.7
137.02350	1.8
141.06990	9.5
144.05675	1.3
145.02808	2.8
145.06473	2.1
145.81686	0.8
147.04382	2.7
147.08003	2.5
149.02336	90.9
150.02737	1.6
152.06181	1.5
153.01828	21.6
153.07011	1.7
155.04916	1.1
157.06462	2.4
159.04437	3.8
159.08041	2.0
161.02379	0.9
165.01859	1.5
167.03345	1.2
169.06491	11.7
173.06001	4.0
181.06387	3.5
183.04489	1.3
185.06009	1.6
187.03902	2.5
187.07506	3.5
197.05992	13.9
197.07747	1.5
199.07512	1.3
200.04633	1.1
201.05452	2.0
203.06995	1.1
213.05484	1.0
215.07019	100.0
216.07426	1.7
222.98523	0.7
225.05453	3.6
227.06941	1.1
229.04958	2.3
243.06526	61.5
244.06830	1.7
248.18233	0.8
253.05092	3.8
271.06000	70.1
272.06284	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.4
59.80046	0.3
65.03933	0.9
67.01855	0.6
67.05474	0.5
68.99794	3.1
69.03414	0.7
69.48621	1.2
69.49045	1.6
79.05440	0.4
81.03426	0.4
81.07052	0.7
91.05476	6.4
93.07039	0.4
95.08593	0.5
107.04941	0.9
109.02872	0.5
111.00786	1.0
115.05436	0.6
119.04955	2.1
119.05690	0.3
121.02855	1.4
121.06493	0.6
123.04391	0.6
128.06152	0.4
129.06963	0.4
131.04933	0.9
131.08578	0.6
133.02875	0.3
135.04414	0.5
137.02301	1.4
140.10065	0.3
141.06989	2.0
145.02798	1.8
145.06467	1.0
147.04390	0.5
149.02312	4.1
151.03903	0.5
152.06238	0.6
153.01816	12.6
155.04877	0.9
157.06490	1.1
159.04398	1.8
159.08064	0.7
165.01842	1.2
165.06981	0.6
169.06491	3.4
173.05988	2.6
175.07491	0.5
181.06322	0.5
183.02959	0.4
183.04395	1.4
185.06010	0.6
187.03935	0.9
187.07539	1.2
197.05951	3.9
200.04767	0.7
201.05443	1.9
203.07019	0.7
211.07439	0.6
213.05487	0.7
215.05042	0.7
215.07011	10.0
225.05452	2.1
229.04987	1.3
243.06522	6.4
253.04947	4.0
271.06000	100.0
272.06366	3.0
293.75824	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0599
Annotation	Thunberginol A
Peak:m/z	Relative Intensity
53.03945	0.6
53.32927	0.4
55.01861	0.6
56.96560	1.8
59.45374	0.4
65.03941	0.7
67.05468	0.5
68.99786	1.7
69.07062	0.5
69.72938	1.6
69.73359	1.0
72.83189	0.4
79.05487	1.3
81.03415	3.0
81.07031	0.6
86.00336	0.3
89.03890	1.9
91.05466	0.7
93.07051	0.6
95.04967	0.9
95.08597	0.7
98.20753	0.8
98.97575	1.5
101.34217	0.4
105.03374	3.2
107.04951	1.2
107.08565	0.8
109.02876	0.7
111.04443	0.5
115.05453	1.2
116.98621	1.5
117.07005	1.0
121.02901	0.8
121.06531	0.7
127.03914	0.5
128.06197	0.4
129.07011	0.5
131.08568	1.2
133.02869	0.5
134.99626	0.9
135.04436	1.8
137.02336	34.4
137.05957	0.7
141.06987	5.7
144.05736	0.6
145.06490	1.3
146.99651	1.1
147.04398	1.1
149.02350	1.2
151.03874	0.6
152.06166	0.8
153.07019	1.0
155.04912	0.7
157.06448	0.6
158.99638	0.4
159.08072	1.4
161.02330	4.1
163.03889	0.9
165.06956	0.8
167.02080	0.5
167.03368	2.1
168.05746	0.5
169.06483	7.8
170.99614	0.4
173.06023	1.3
175.03920	0.7
181.06483	3.2
183.04420	1.0
187.03339	0.4
187.07552	2.8
188.52576	0.5
189.01895	0.4
193.04926	0.7
196.03879	2.6
196.54062	0.4
197.04121	0.7
197.05974	12.7
198.06416	0.4
200.04677	2.1
201.05446	2.8
211.07550	0.6
213.05356	0.8
215.07022	16.3
224.04755	0.6
225.05466	18.1
226.05675	0.4
237.02739	0.6
243.06577	2.6
243.10205	0.8
253.04948	6.2
256.07034	0.5
271.06009	100.0
271.24109	0.9
272.06345	1.9
284.06638	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0598
Annotation	5,7,3'-Trihydroxyisoflavone
Peak:m/z	Relative Intensity
55.01865	2.3
55.76825	1.0
65.03929	3.9
67.01862	1.3
68.99786	12.7
69.03433	1.1
71.19146	2.3
71.19489	1.4
71.19890	1.0
75.98002	1.2
79.05481	1.3
91.05475	11.5
95.08575	1.2
107.04945	5.0
111.00781	1.7
111.04368	1.0
111.42103	1.2
112.10423	1.1
115.05455	2.9
117.06997	1.8
119.04951	4.4
121.02860	15.8
128.06224	2.5
129.06999	2.8
131.04926	4.3
131.08531	2.0
137.02408	1.2
138.77147	1.0
141.06999	11.4
144.05721	1.7
145.02841	3.8
145.06485	3.0
147.04379	4.1
147.08075	2.1
149.02339	86.3
150.02792	1.3
152.06181	3.1
153.01825	20.0
153.06992	2.2
155.04909	3.2
157.06461	4.0
159.04413	3.5
159.08092	1.5
165.01784	1.2
169.06490	14.4
173.05966	9.2
181.06444	3.1
183.04376	3.3
185.05963	2.3
187.03899	2.2
187.07523	4.4
197.05965	17.4
199.07549	1.5
200.04646	1.7
201.05455	3.9
203.07063	3.4
211.07556	1.1
215.07019	100.0
216.07332	1.5
225.05391	5.1
229.05009	7.2
233.34146	1.3
239.97945	1.1
243.06516	70.5
244.06799	1.7
253.04880	6.6
266.93039	1.1
271.06006	82.2
272.06290	1.7
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
53.03936	2.4
55.01875	7.9
55.05498	4.9
56.05024	5.1
56.96567	32.5
57.03203	1.5
57.03435	13.5
58.99850	4.0
61.02927	10.8
67.05486	3.1
68.23264	1.4
68.99780	3.4
69.03435	23.6
70.06599	10.2
70.82371	1.7
70.82714	3.4
70.98107	1.5
71.01321	2.2
71.04977	7.8
72.08157	1.7
73.02924	11.4
74.06086	2.3
77.00901	4.7
79.01851	1.5
79.05490	2.4
81.03419	19.2
81.07047	3.1
82.01426	2.6
82.06573	27.4
82.99840	2.3
83.01321	1.6
83.04991	2.9
84.04481	5.1
84.08150	2.8
84.96019	2.8
85.02426	2.7
85.02905	31.9
86.03212	2.1
86.03685	2.4
86.06055	2.7
86.99289	1.6
87.04458	6.4
87.81443	1.7
89.60165	1.8
91.05459	2.4
95.04982	3.0
96.08154	1.8
97.02885	24.5
98.06052	4.1
98.97591	16.3
99.04453	4.1
100.02477	4.3
100.07629	22.3
101.00866	14.9
103.02445	4.1
105.00357	2.4
105.07003	1.9
109.02859	12.0
110.06032	5.7
110.97533	2.2
112.07611	9.0
115.02439	23.7
116.07065	2.7
116.98614	16.1
117.03997	3.3
118.01122	2.1
118.03522	7.5
119.01920	100.0
119.04874	3.5
120.01984	2.6
120.03461	1.9
121.03461	3.7
121.06516	2.7
124.07575	2.2
127.02361	2.4
127.03903	7.4
127.08676	3.5
128.02310	3.3
128.98570	3.3
129.03955	6.4
130.06519	4.2
130.08618	2.1
131.00191	3.4
131.01933	19.7
132.05046	1.8
133.03470	36.4
134.99652	12.1
135.04997	4.8
136.04552	4.1
136.06183	4.0
137.02948	35.3
138.05499	42.6
138.07822	1.8
139.02625	2.4
139.04077	2.6
140.03429	2.7
140.05551	3.0
142.01199	5.3
142.03523	9.9
143.01901	9.8
143.03435	1.8
144.01837	2.4
144.03421	2.0
144.99815	6.2
145.01694	2.0
145.03461	12.0
146.99622	7.1
147.01372	2.0
147.04398	7.8
149.01257	3.5
149.02939	4.8
151.04562	3.6
152.06935	6.6
153.00674	3.2
153.01810	21.7
154.03407	2.8
155.01884	6.6
156.02965	2.0
156.05043	5.0
157.03467	17.0
157.07649	4.2
158.01274	2.7
158.06654	24.2
158.99619	4.6
159.05022	4.7
160.02100	8.6
160.04515	4.9
161.01204	5.4
161.02953	20.3
162.03102	2.3
163.00879	3.5
163.04465	5.4
165.00706	3.6
167.05627	3.0
168.05098	1.8
168.99857	5.5
170.06706	3.7
170.08138	3.5
171.01385	3.5
172.04503	3.0
173.02966	14.4
174.03001	2.1
174.04457	3.4
174.06245	6.3
174.99150	2.8
175.00847	3.0
175.04561	12.4
176.07684	27.0
177.00702	5.5
177.02335	2.0
177.04105	2.8
182.02905	5.2
184.03029	2.4
184.04494	9.5
184.08205	2.9
185.02972	5.5
185.06664	2.2
186.04662	2.4
186.06157	3.6
187.00894	15.7
187.04488	4.6
188.07684	24.7
188.09238	2.9
189.00713	5.1
189.02452	8.1
190.09178	2.5
191.02417	2.1
191.03966	3.8
192.05135	3.5
192.98613	2.9
193.00171	6.1
196.99222	2.4
198.06126	5.4
199.00876	2.5
199.04477	2.2
200.07671	10.7
201.00690	3.2
201.02478	4.5
202.05643	6.4
202.09216	3.0
203.03984	4.1
203.07417	2.3
205.01970	5.0
207.01678	2.3
207.03445	2.5
210.04288	2.4
210.06088	15.6
211.00867	3.0
211.10928	2.6
212.03877	2.2
212.07741	3.1
214.05528	2.0
215.00421	17.7
216.07347	2.2
216.98737	2.3
217.01930	6.5
218.08748	2.5
219.01810	5.9
219.03561	4.6
221.04985	7.0
224.07660	8.1
226.09297	3.0
227.04088	2.5
228.07149	31.4
229.01949	5.1
229.07332	3.0
231.03407	2.7
233.01474	4.4
234.99628	2.7
235.06650	2.0
237.02811	6.2
242.08800	8.6
245.05161	2.2
246.08243	18.6
247.02899	10.0
247.08420	2.0
251.02505	4.8
252.07063	6.6
256.02975	5.2
270.08112	45.6
270.14551	3.3
271.06183	3.2
274.03928	2.6
277.07541	2.3
288.09250	19.8
291.56888	1.8
293.09814	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2262
Annotation	Anhydrovitamin A1
Peak:m/z	Relative Intensity
53.03912	1.6
55.05510	9.2
56.96564	2.9
57.03440	6.7
57.07060	2.9
65.03960	1.4
67.05499	27.1
69.07066	13.3
70.16489	5.8
72.93767	1.8
79.05491	17.5
81.07054	39.0
83.04979	2.2
83.08612	5.7
91.05475	11.6
92.50349	1.5
93.07034	25.6
95.04969	1.9
95.08066	1.7
95.08607	22.6
97.06544	1.7
97.10143	2.4
98.21483	1.7
105.07029	23.0
107.08591	28.4
107.09319	2.5
109.06519	2.4
109.10145	12.6
111.08083	1.8
112.35204	1.3
117.07012	4.2
119.08578	25.2
121.10136	16.4
123.11688	5.1
129.06981	3.4
131.08572	12.9
133.10121	11.9
135.11690	8.6
136.90140	1.3
142.07784	4.0
143.08575	9.5
144.09311	2.2
145.10120	16.4
147.11694	9.7
149.13242	9.5
156.09352	1.9
157.10121	17.5
158.10844	1.6
159.11676	24.8
161.13246	11.3
163.14792	2.1
171.11661	12.1
173.13228	13.6
174.99020	1.3
175.14819	7.2
177.12677	1.8
183.11691	1.6
185.13223	9.4
187.14812	3.5
189.16377	2.5
195.13809	1.9
197.05890	1.4
199.14819	17.0
200.15630	1.9
201.16338	1.8
213.05495	1.8
213.16373	20.8
227.17972	6.1
241.19496	3.2
269.08255	6.9
269.17789	3.7
269.22626	100.0
270.22928	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	269.1746
Annotation	Arteincultone
Peak:m/z	Relative Intensity
50.83128	0.7
53.03945	3.0
54.42810	0.8
55.01873	3.6
55.05233	1.1
55.05508	24.4
57.03434	41.9
57.07080	4.4
65.03946	1.7
65.71565	0.6
67.05502	79.4
68.05821	0.8
69.03423	1.1
69.07065	33.4
69.43637	7.2
71.01337	1.0
71.04992	7.8
71.08632	1.4
73.02918	1.1
75.51978	0.7
79.05490	53.5
81.03419	2.3
81.07054	100.0
82.07392	0.9
83.04980	9.9
83.08144	1.7
83.08616	20.6
83.29288	0.7
85.06544	6.5
91.05473	24.9
93.07040	79.5
94.07372	1.2
95.04964	7.8
95.08601	26.4
97.06525	16.0
97.10167	2.0
99.04457	0.8
99.08086	4.3
105.07025	10.0
107.08591	40.4
109.06543	4.0
109.10143	5.0
111.08072	8.7
111.11715	1.3
113.05963	1.2
113.09614	1.5
117.07018	9.0
119.08571	3.7
121.06548	2.0
121.10136	26.2
123.08089	1.2
123.11691	3.2
124.22169	0.7
125.09592	1.0
127.07542	1.0
129.06996	1.5
131.08562	9.7
133.10107	8.2
135.08032	2.3
135.11690	11.0
139.11165	2.3
147.11676	2.7
149.13255	49.5
151.11142	0.9
159.11678	18.1
167.14348	1.2
177.12759	9.0
184.00327	0.8
195.13800	8.9
213.14789	1.1
241.08588	0.9
258.46973	0.8
269.08124	1.4
269.11612	1.1
269.17447	28.5
269.22540	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Arteincultone
Peak:m/z	Relative Intensity
52.59943	2.8
53.03916	2.9
55.01868	4.7
55.05514	19.4
57.03434	33.4
57.07070	8.9
58.22779	3.4
60.27919	3.2
66.64571	2.8
67.05504	83.6
68.99780	7.0
69.07063	31.8
69.74944	3.1
71.04974	8.1
71.59034	4.6
71.59394	3.3
75.73872	2.8
79.05497	48.8
81.07056	100.0
83.04965	10.2
83.08619	20.8
85.06541	4.6
91.05468	23.4
91.21803	2.7
93.06478	4.1
93.07043	71.6
95.04977	7.7
95.08614	27.1
97.06532	14.6
99.08112	4.9
105.07025	8.1
107.08598	38.4
109.06465	4.4
109.10153	5.2
111.00819	7.1
111.08074	9.2
117.07022	11.9
119.08556	4.8
121.10148	28.3
125.65558	2.8
129.06955	3.1
131.08588	11.0
133.10114	8.1
135.08087	3.9
135.11690	7.9
139.00266	8.0
143.69363	2.9
144.96455	3.1
149.13264	49.2
157.01314	11.5
159.11679	17.0
167.98711	3.1
177.12788	8.2
195.13792	7.5
269.17343	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	269.1744
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03938	5.2
55.01867	3.6
55.05505	27.2
56.96576	2.3
57.03433	36.2
57.07061	5.8
61.69207	2.2
63.09742	1.9
65.03923	5.2
67.05500	78.6
69.03413	2.4
69.07062	36.5
71.04980	6.4
71.08601	2.2
71.28776	5.2
73.02896	2.4
79.05063	3.3
79.05490	48.8
81.03407	4.3
81.07050	100.0
83.04964	12.2
83.08617	19.4
85.06538	7.4
91.05475	27.4
93.07042	78.4
93.07631	4.6
95.04948	9.9
95.08600	36.1
97.06538	19.3
97.10196	2.3
98.21553	1.9
99.08112	2.8
105.07026	14.9
107.08591	33.3
109.06539	4.2
109.10136	6.4
111.08070	11.3
113.09621	3.2
117.07018	10.9
119.08561	9.2
121.10150	22.8
123.11683	4.8
131.08530	16.0
133.10103	13.8
133.10989	2.0
135.11668	13.2
139.11110	2.6
143.08524	3.9
145.10201	3.4
145.52382	2.2
147.11647	3.4
149.13246	44.5
157.10109	6.1
159.11681	25.6
162.89325	2.2
163.82358	1.9
171.11685	3.1
176.13254	2.1
177.12721	9.7
195.13808	9.4
199.14850	2.9
253.05000	2.6
269.08035	9.4
269.17377	35.5
269.22559	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03935	4.4
55.01861	4.1
55.05513	24.2
57.03436	40.5
57.07060	5.6
65.03938	3.3
67.05505	89.8
69.07068	34.0
70.00381	9.3
71.05007	8.2
71.08604	1.6
79.05491	50.7
81.03400	2.4
81.07056	100.0
82.07381	1.9
83.04987	11.3
83.08621	20.7
84.71053	1.4
85.06548	5.8
89.37601	1.7
91.05474	23.6
91.63073	1.5
93.07042	71.9
93.07633	3.6
94.07414	2.3
95.04975	9.8
95.08064	2.1
95.08611	24.9
97.06522	16.6
97.10184	1.9
99.08072	3.7
105.07014	9.4
107.08591	36.9
109.06493	3.2
109.10142	4.4
111.08074	9.6
111.11795	2.0
113.09660	1.5
117.07030	9.5
117.07733	2.0
119.08575	2.9
121.10141	27.4
123.11666	3.6
131.08559	11.3
133.10117	9.0
135.11661	10.6
139.11197	4.5
149.13260	47.2
159.11674	17.9
162.07941	1.7
177.12750	9.7
195.13799	9.6
195.79469	1.8
199.22763	1.4
269.17465	30.7
269.20181	2.6
270.91986	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03930	3.6
53.31753	2.1
53.86023	2.1
55.01859	3.7
55.04725	2.4
55.05510	22.7
57.03439	35.3
57.07065	6.7
62.63375	2.3
65.03934	2.5
67.05505	90.2
69.07067	29.6
69.94561	11.0
69.94979	3.6
71.04966	5.0
79.05061	3.4
79.05493	45.7
81.03401	2.7
81.07056	100.0
83.04970	9.2
83.08604	25.9
85.06524	7.1
91.05478	25.9
93.07045	72.8
95.04955	9.7
95.08139	2.5
95.08612	28.0
97.06525	16.1
98.21528	2.3
99.08092	4.3
105.07030	11.4
107.08589	39.5
109.10143	6.9
110.09213	2.2
111.08086	9.0
112.70406	2.5
113.22976	2.7
117.07018	10.2
119.08549	3.8
121.10140	19.6
123.11684	4.1
131.08586	13.1
133.10124	13.5
135.11702	11.6
147.11684	4.3
149.12160	4.2
149.13251	37.9
151.11107	2.8
159.11687	24.0
171.11736	3.0
177.12779	9.5
195.13789	9.0
207.97141	2.4
212.59879	2.4
227.18211	2.6
269.08139	4.6
269.17505	34.6
269.22449	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	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.05615	1.7
52.19241	1.5
53.03933	5.3
55.01873	2.7
55.05510	24.8
56.09949	1.4
57.03436	41.2
57.07063	4.7
65.03904	3.2
67.05505	81.9
69.07063	30.3
70.71574	4.8
71.04987	6.2
71.08628	2.2
75.71593	1.6
79.05492	47.5
81.07056	100.0
83.04979	10.3
83.08617	22.1
85.06561	7.8
89.02448	1.6
91.05489	23.3
93.07043	77.4
95.04974	7.7
95.08604	22.8
97.06520	12.8
97.10179	2.3
99.08077	4.8
105.07047	10.5
107.04982	2.1
107.08586	39.1
109.06504	5.2
109.10136	4.4
111.08115	8.5
117.07037	11.2
118.04145	2.0
119.08563	3.5
121.10151	28.7
123.11691	3.4
129.06967	1.7
131.08592	10.1
133.10130	10.1
135.07990	1.8
135.11691	7.8
139.11198	2.6
143.08566	2.8
147.04387	2.7
147.11725	2.5
149.12057	3.0
149.13248	49.5
153.17216	1.5
157.10127	2.4
159.11707	17.9
177.12743	7.7
195.13863	10.2
199.14751	2.2
213.09126	3.6
213.16437	2.1
226.06116	2.8
237.05591	2.5
253.04906	13.2
254.05663	4.6
269.08096	42.2
269.17465	32.4
269.22601	5.3
270.08545	3.4
270.17746	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03934	5.1
55.01869	2.5
55.05514	21.3
57.03437	32.6
57.07064	4.1
57.99458	2.1
58.47664	2.2
67.05507	81.4
68.92203	1.7
69.07068	27.2
71.04987	7.7
77.60318	1.9
79.05495	51.4
80.05860	2.8
81.03426	2.9
81.07058	100.0
83.04974	9.7
83.08622	21.9
85.06528	6.6
91.05484	26.7
93.07045	73.1
95.04959	7.4
95.08608	26.4
97.06544	15.6
97.10169	3.4
99.08085	5.9
105.07022	13.5
107.08604	34.2
109.06486	2.3
109.10156	4.4
111.08063	8.4
114.93764	2.1
117.06995	11.0
119.08565	4.1
121.10140	22.7
123.11728	5.6
131.08543	10.1
133.10123	9.6
135.11690	10.2
138.93159	2.3
139.11232	2.7
143.08536	2.6
147.11679	2.9
149.12186	3.3
149.13269	39.0
159.11691	19.9
177.12756	8.3
178.87302	2.1
185.13132	2.4
195.13835	11.0
197.06097	2.5
269.08051	22.1
269.17383	32.8
269.22650	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	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
52.56560	6.4
55.05497	20.5
57.03435	38.8
57.07064	8.3
67.05180	5.7
67.05507	83.3
69.07063	30.9
69.84496	29.6
71.08596	5.7
79.05093	7.2
79.05492	46.6
81.06599	7.3
81.07063	100.0
83.04989	14.7
83.08606	19.7
85.06523	9.5
91.05482	21.6
93.07048	77.4
95.04938	7.4
95.08603	26.1
97.06461	12.1
97.10236	7.4
105.07029	8.3
107.08571	37.2
107.15734	5.1
109.06483	7.4
111.08077	11.2
117.07014	8.2
121.10133	23.2
131.08582	11.9
133.10129	8.6
135.11676	9.4
149.13237	39.1
159.11674	12.2
177.12675	9.2
195.13826	10.1
269.17456	21.1
270.27856	9.6
286.45517	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	269.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.7
55.01871	3.0
55.05511	21.2
57.03439	33.6
57.07074	5.4
63.36395	1.0
65.03944	3.7
67.05505	71.9
68.05840	1.7
69.03426	1.5
69.07068	31.9
70.64830	1.8
70.65217	2.6
71.05001	6.1
71.08623	1.1
73.02897	1.5
79.05493	45.4
81.03426	1.9
81.07056	100.0
83.04980	10.2
83.08620	19.4
85.06556	6.1
91.05480	25.7
91.05907	0.8
93.07044	70.2
95.04974	8.6
95.08605	27.2
97.06524	14.1
97.10177	3.6
99.08098	3.4
105.07046	13.7
107.08595	38.6
109.06542	4.1
109.10166	7.7
111.08088	8.3
113.05995	1.3
113.09669	1.3
115.05387	1.6
116.15217	1.0
117.07017	9.0
118.94059	1.2
119.08582	5.8
121.06585	1.7
121.10139	23.9
122.03245	1.0
123.08075	1.2
123.11729	3.5
125.09683	1.6
128.06223	1.7
129.07024	1.9
131.08549	15.6
133.10114	12.9
134.56749	1.2
135.08057	1.7
135.11693	10.1
139.11147	1.7
141.07025	1.0
142.07834	2.3
143.08582	4.1
145.10095	5.0
147.11702	3.4
149.02315	1.0
149.09599	1.2
149.13258	47.3
156.09438	1.3
157.10114	12.3
159.11688	24.0
161.13194	1.7
167.03384	2.9
169.10149	1.3
171.11641	6.6
173.13287	3.0
177.12756	6.9
185.13275	3.9
187.14824	2.4
188.79778	1.0
195.13762	6.9
199.14790	5.0
213.16371	5.8
226.06340	3.8
227.18082	1.8
254.05714	11.0
269.08109	18.3
269.17493	26.9
269.22543	19.0
270.08435	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.2
55.01880	3.1
55.05509	17.4
56.50103	2.2
57.03435	40.6
57.07071	6.1
65.03938	3.4
67.05173	4.6
67.05509	73.0
68.80441	2.5
69.03420	2.7
69.07075	32.8
70.95860	4.4
71.04996	8.5
72.93793	10.4
79.05496	52.4
81.03419	3.8
81.07060	100.0
83.04980	8.8
83.08620	21.1
85.06558	7.0
88.23165	2.3
90.94836	6.0
91.05485	25.5
92.37808	2.3
93.07051	80.2
95.04974	7.2
95.08614	23.6
97.06529	15.7
99.08097	2.6
105.07066	12.0
107.05033	3.1
107.08607	38.5
108.95885	3.2
109.06515	3.5
109.10178	3.2
111.08101	8.6
113.09631	2.5
117.07026	8.4
119.08596	4.8
121.10141	21.1
123.11665	3.2
131.08554	11.5
133.10098	11.3
135.08073	4.4
135.11699	12.8
139.11211	2.7
145.10162	2.4
147.11758	3.8
149.13271	43.9
151.02068	4.7
159.11696	18.9
160.27782	2.5
165.00081	4.1
177.12814	8.2
178.98015	4.1
194.54324	2.6
195.13829	9.0
201.03629	6.4
251.07309	19.4
262.78568	2.2
269.08350	27.2
269.17468	23.2
269.22665	5.3
270.08749	3.2
287.09525	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03947	2.5
54.00711	2.1
55.01877	3.4
55.05513	21.1
57.03436	25.0
57.07077	6.1
67.05505	74.6
69.07070	32.1
70.42797	2.0
70.65251	3.4
70.65611	4.8
71.05011	4.5
72.39059	1.8
75.30544	1.7
76.05222	1.8
79.05055	3.9
79.05492	48.7
81.03450	3.6
81.07057	100.0
83.04964	6.4
83.08612	19.8
85.06528	2.8
87.72223	2.0
91.05470	22.1
93.07043	64.8
95.04964	8.3
95.08613	24.4
97.06527	16.0
99.08084	4.3
105.07020	10.5
107.08578	30.2
109.10159	3.4
111.08084	7.5
117.07017	10.1
119.08613	3.1
121.10151	16.1
123.08112	2.2
123.11687	2.8
125.54897	2.1
131.08577	10.8
133.10130	12.1
135.07993	3.4
135.11673	11.7
149.13249	34.1
151.11140	4.2
157.10143	2.8
159.11665	18.0
177.12746	8.8
195.13779	13.6
217.27977	2.4
269.08105	6.9
269.17422	31.6
282.08105	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.3
55.01853	3.2
55.05269	1.8
55.05511	22.3
56.96553	2.9
57.03434	27.7
57.07076	3.6
58.80761	1.5
65.03931	1.8
67.05505	72.4
69.07063	28.2
70.07733	7.8
71.04974	5.3
79.05067	3.1
79.05491	46.5
81.03413	2.4
81.07052	100.0
83.04981	10.2
83.08618	20.3
85.02884	1.7
85.06532	5.5
91.05485	30.6
93.06485	3.4
93.07043	63.1
95.04953	8.4
95.08606	24.9
97.06539	17.1
97.10163	4.2
99.08083	4.2
105.07026	11.3
107.04950	3.9
107.08592	37.1
109.06489	3.3
109.10129	6.2
111.08057	7.7
117.06989	9.3
118.04169	6.5
119.08552	2.8
121.10138	17.5
123.11714	4.6
129.06932	2.0
131.08574	13.2
133.06506	1.9
133.10127	13.4
135.08104	1.9
135.11726	10.1
137.02414	1.8
144.09369	1.9
149.09627	2.6
149.13258	32.2
151.11203	2.3
154.02589	3.1
156.05640	1.9
157.10136	2.0
159.08351	1.7
159.11671	20.1
170.07118	1.9
177.12755	6.7
181.06389	3.6
185.09531	1.7
195.13815	12.1
197.05942	6.8
198.06650	3.5
213.09071	12.2
225.05409	2.5
226.06142	8.8
237.05434	11.5
253.04973	7.5
254.05606	8.7
269.08072	100.0
269.14816	3.1
269.17484	34.6
269.22620	7.0
270.08423	6.0
287.11469	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Arteincultone
Peak:m/z	Relative Intensity
50.07971	1.6
51.60414	1.6
53.03941	3.0
55.01873	2.6
55.05511	25.4
57.03436	34.5
57.07077	3.8
65.03960	2.2
65.10969	1.8
65.13957	1.5
67.05504	80.1
69.07067	28.8
69.70284	1.4
71.04996	6.2
71.08628	2.1
76.58495	1.6
77.03910	1.6
79.05490	48.7
81.03426	1.9
81.07057	100.0
83.04981	7.4
83.08625	20.1
85.06544	5.3
91.05475	25.4
93.07044	66.7
95.04972	7.3
95.08601	24.8
97.06525	14.2
97.10174	3.1
98.20708	3.9
99.08120	3.7
105.07047	11.7
107.08594	39.2
109.06504	3.6
109.10193	4.4
111.08062	8.4
117.07024	9.5
119.08562	5.6
121.06513	2.3
121.10123	22.6
123.11712	3.1
131.08580	12.7
133.10127	9.8
135.08049	1.9
135.11726	9.9
143.08551	2.4
145.10135	1.9
147.11676	2.9
149.13249	41.8
151.11151	3.4
157.10191	1.6
159.11691	20.1
162.41954	1.7
177.12762	8.0
195.13876	10.9
269.04401	2.1
269.08002	2.6
269.17459	30.8
269.22366	3.7
270.05444	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
50.11946	1.6
53.03943	3.1
55.01854	4.7
55.05515	20.4
57.03439	36.1
57.07077	4.2
67.05506	72.3
69.07074	28.0
70.30150	7.7
71.04989	6.6
75.66490	1.9
79.05057	3.2
79.05497	37.6
81.03423	3.7
81.07059	100.0
83.04992	9.3
83.08619	17.1
85.06550	4.8
91.05479	24.6
93.07046	59.4
94.14748	2.2
95.04967	8.7
95.08604	25.2
97.06516	13.4
97.10178	3.3
99.04394	2.2
99.08108	4.6
105.07037	9.1
106.34523	2.2
107.04960	2.8
107.08601	34.4
109.06513	4.2
109.10158	4.3
111.08082	5.5
113.09622	2.3
117.07020	7.0
119.08569	6.2
121.10124	20.3
123.11723	2.2
125.76002	1.9
131.08562	8.6
133.10141	11.8
135.10809	1.8
135.11684	11.6
147.11696	3.5
149.13272	36.0
159.11708	20.7
177.12790	8.2
195.13855	10.4
197.35252	1.9
200.53645	2.1
211.14905	2.4
254.05731	2.2
269.08054	9.6
269.17368	26.2
269.22220	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1609
Annotation	Histidylleucine
Peak:m/z	Relative Intensity
54.76649	0.3
55.01866	0.4
55.05492	0.4
56.05040	1.7
56.09566	0.3
56.96567	3.6
57.07074	0.3
57.47081	0.3
60.04526	1.9
61.02946	0.3
69.03442	0.5
69.07045	0.9
70.06581	1.1
71.16428	0.3
71.57217	0.4
73.02895	0.5
79.05477	0.5
81.04525	0.7
81.07063	0.4
82.05318	0.7
82.06559	0.5
83.05630	0.7
83.06101	9.6
84.04491	0.7
84.08138	1.7
85.02888	1.0
86.09709	3.8
91.05476	1.0
93.04527	7.9
93.07058	0.4
94.24390	0.3
95.04984	0.5
95.06078	1.6
95.08569	0.5
97.02902	1.0
98.46891	0.3
98.97559	0.4
99.04466	0.3
100.07626	0.4
103.05464	0.4
107.04961	1.2
110.07162	100.0
115.02419	0.4
116.98639	0.6
119.01920	1.2
119.04929	0.6
120.08118	1.0
121.03986	0.7
121.05709	0.4
121.06502	1.6
122.06859	0.8
123.04431	0.6
130.36366	0.4
133.03485	0.4
134.99687	0.5
136.06186	1.0
136.07607	2.1
137.04582	13.9
138.06586	3.3
140.90639	0.4
146.37616	0.3
148.19214	0.3
153.01828	0.9
155.99731	0.7
156.07684	13.4
156.97520	0.9
160.07513	0.4
161.02956	0.5
165.05499	0.7
166.04868	0.4
166.06148	1.0
172.95232	0.7
173.02895	0.3
174.00731	2.2
174.98586	1.5
178.13399	2.5
182.08128	1.0
185.02885	0.5
188.07748	0.4
189.00682	0.4
190.96257	0.4
192.01836	0.7
198.98560	0.4
199.41141	0.3
201.00537	0.6
208.97304	0.3
209.04674	0.4
212.04691	0.4
216.99586	0.4
220.06984	0.4
223.10832	0.5
223.15523	5.2
226.98024	1.9
234.12344	0.5
244.99632	0.9
246.08208	0.4
251.10646	0.4
251.15044	5.9
253.05170	0.4
254.05684	0.7
263.00742	1.6
269.05411	0.5
269.08044	3.4
269.11157	0.6
269.16110	11.5
270.95792	0.5
287.09131	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0806
Annotation	Formononetin
Peak:m/z	Relative Intensity
71.12368	0.8
107.04958	3.4
108.02103	0.6
118.04154	5.6
133.06477	1.4
136.01576	0.4
137.02365	2.3
152.06236	0.6
153.07031	0.7
154.02594	1.7
156.05635	1.2
158.07297	0.6
165.06819	0.4
169.06480	0.9
170.07246	1.3
181.06451	1.5
182.07191	1.0
184.05252	0.5
195.08028	0.4
197.05978	5.4
198.06732	2.3
210.06871	0.4
213.09094	8.7
213.11000	0.6
225.05498	2.7
226.06229	8.5
237.05434	10.1
238.05962	0.4
241.08568	0.4
253.04961	7.9
254.05717	10.2
255.05725	0.5
269.08075	100.0
270.08539	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0804
Annotation	7-HYDROXY-2'-METHOXYISOFLAVONE
Peak:m/z	Relative Intensity
55.01853	0.3
55.05497	0.2
67.05496	0.3
68.99767	0.3
69.07109	0.1
69.61968	0.1
70.42826	0.3
70.43215	0.3
79.05484	0.5
81.03401	0.2
81.07033	0.3
90.04698	0.4
91.05444	0.2
93.07063	0.2
95.04929	0.2
95.08588	0.3
98.21397	0.2
103.05460	0.3
105.03381	0.2
105.07010	0.5
107.04946	3.2
108.02076	1.0
109.10133	0.1
118.04157	7.0
121.02848	0.2
123.04401	0.3
128.06197	0.3
129.06981	0.2
129.39546	0.1
132.32866	0.1
133.02824	0.4
133.06485	1.3
135.04453	0.2
136.01549	0.4
137.01346	0.2
137.02332	2.9
141.06955	0.2
145.06454	0.2
147.04372	0.4
149.13313	0.1
151.03891	0.1
152.06178	0.7
153.07011	0.7
154.02600	3.2
154.07668	0.1
155.04909	0.2
156.05717	1.3
157.06471	0.5
158.07288	0.5
163.03893	0.7
165.06992	0.3
167.08443	0.2
169.06470	0.8
170.07286	1.9
171.08095	0.3
180.04214	0.1
180.05769	0.4
181.06470	2.7
182.07216	1.1
183.08006	0.4
184.05153	0.8
185.09624	0.3
191.11656	0.1
195.07939	0.5
197.05975	7.7
198.06741	3.3
199.07539	0.2
200.04622	0.6
209.06007	0.5
210.06798	0.2
211.07599	0.2
212.04730	0.3
213.09097	10.6
225.05466	3.5
226.06221	8.5
227.06734	0.3
236.04572	0.1
237.05453	10.9
238.05879	0.2
239.07057	0.1
241.08574	0.4
253.04950	10.8
254.05727	9.9
255.06064	0.3
269.08063	100.0
270.08417	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.5
56.96545	1.4
57.03423	0.8
57.07027	0.5
65.22716	0.3
67.05500	2.2
67.44349	0.3
68.99781	0.5
69.07056	1.1
71.29054	0.6
77.64895	0.3
79.05500	1.7
81.07055	3.5
83.08616	0.7
84.22595	0.4
84.96030	0.4
91.05475	1.1
93.07028	2.3
95.04944	0.4
95.08587	1.4
97.06521	0.3
98.97529	0.4
103.05399	0.6
105.07042	1.5
107.04951	3.5
107.08583	1.2
108.02088	1.0
109.10169	0.6
116.98547	0.6
117.07027	0.6
118.04162	7.1
119.08546	0.9
121.10159	0.9
128.06226	0.4
129.06979	0.6
131.04932	0.4
131.08566	0.8
133.02876	0.6
133.06453	1.3
133.10089	0.6
134.99606	0.6
135.04309	0.4
135.11633	0.6
137.02361	2.6
143.08537	1.0
145.10132	0.9
147.11775	0.4
149.13188	0.8
152.06175	1.1
152.98627	0.4
153.07016	0.8
154.02605	3.5
155.08513	0.3
156.05678	1.0
157.06491	1.0
157.10103	1.3
158.07291	0.6
159.11707	1.2
163.03932	0.7
165.07018	0.5
169.06506	0.9
170.07214	1.6
170.99693	0.5
171.11719	1.0
173.13295	0.5
177.12804	0.4
180.07909	0.8
181.06445	2.5
182.07245	1.2
184.05190	0.5
185.13278	1.0
187.14882	0.5
195.07983	0.6
195.10146	0.3
195.13765	0.5
197.05984	6.9
198.06728	2.7
198.14020	0.4
199.14836	1.1
209.05957	0.5
213.05717	1.6
213.09109	9.3
213.16396	1.2
223.08656	0.4
225.05455	3.3
226.06244	7.6
237.05470	10.6
237.07912	0.5
241.04919	1.0
241.08554	0.5
253.04961	10.5
254.05745	9.8
269.08081	100.0
269.22577	4.3
270.08368	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	268.1544
Annotation	Codonopsine
Peak:m/z	Relative Intensity
54.11566	0.3
54.16784	0.3
54.40166	0.4
58.06577	0.5
70.74930	0.7
71.20967	0.4
84.08155	1.8
117.01479	0.4
128.06178	0.5
131.08514	0.7
136.06122	0.7
137.05920	0.4
143.08563	1.9
147.04393	0.4
159.06810	0.4
159.07997	1.1
160.05139	1.3
160.11172	1.0
161.06006	2.1
161.09634	0.4
162.05458	1.3
164.07076	3.6
171.08054	1.6
174.06647	0.4
176.07080	1.4
177.07841	23.4
178.08234	0.9
188.10661	2.0
189.09105	2.0
204.10031	0.5
206.11757	100.0
207.12054	1.8
250.14391	17.9
268.15448	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	268.1041
Annotation	Vidarabine
Peak:m/z	Relative Intensity
55.01867	0.6
56.96576	0.4
57.03425	0.8
61.02936	0.3
69.03423	0.4
69.51008	2.1
70.06586	0.4
73.02901	0.3
79.31995	0.3
81.03380	0.3
82.06601	0.5
84.04532	0.3
84.08139	3.5
85.02907	0.7
94.04021	0.3
97.02879	0.7
100.07589	0.5
104.09802	0.2
110.07169	0.5
115.03895	0.3
119.01924	0.4
119.03540	0.6
122.06778	0.2
131.01932	0.4
136.06183	100.0
136.67175	0.2
137.04549	0.6
137.06627	0.5
150.05493	0.3
151.05830	0.5
154.21446	0.2
156.97432	0.5
160.02238	0.4
160.04564	0.3
166.02257	0.4
170.06604	0.3
173.02905	0.3
174.98499	0.5
175.02846	0.3
176.07741	0.3
188.07664	0.4
198.02541	0.4
201.00157	0.3
206.08772	0.5
219.01868	0.3
221.01711	0.4
224.07661	0.3
226.42513	0.3
226.98044	0.6
242.08731	0.6
263.02930	0.5
268.10367	4.5
268.16531	0.3
286.07690	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.104
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01867	0.2
57.03428	0.5
69.03413	0.2
70.63864	0.7
85.02896	0.3
93.27415	0.2
94.04044	0.6
94.66670	0.2
119.03534	0.9
130.77136	0.2
133.04953	0.2
136.06183	100.0
137.04602	0.5
137.06512	0.7
151.82784	0.2
152.55365	0.2
193.08034	0.2
206.11752	0.4
268.10391	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	267.1591
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
51.43198	0.7
53.03946	3.5
55.01872	2.3
55.05510	8.5
57.03434	20.4
57.07075	0.9
65.03939	1.0
67.05506	13.2
69.03427	2.8
69.07054	3.7
70.07356	1.3
70.07753	3.8
71.04994	1.5
79.05489	13.2
81.03416	100.0
81.07056	14.0
82.03776	0.8
83.04978	5.5
83.08617	13.3
84.72003	0.7
85.06530	0.9
91.05479	19.5
93.07048	9.5
95.04963	22.6
95.08588	5.5
97.02867	2.5
97.06535	1.4
97.10158	1.9
105.07030	14.2
107.04941	5.0
107.08604	3.4
109.06517	3.4
109.10153	2.1
111.04418	1.3
111.08080	5.2
115.05432	1.3
119.04957	0.8
119.08585	11.1
121.06532	1.6
121.10159	5.4
123.08079	0.8
123.11662	0.9
128.06232	1.1
129.06992	7.4
131.08589	7.8
133.06473	2.7
133.10124	3.5
135.11700	1.0
137.09579	2.1
140.04828	0.7
142.07777	2.5
145.10178	1.1
147.08076	2.1
147.11696	9.1
149.09608	2.6
157.10123	8.2
163.11186	0.7
165.12752	1.3
175.11169	7.8
193.12222	13.0
205.12080	1.0
211.13269	2.5
214.56665	0.7
249.14873	1.4
267.09909	1.0
267.15894	30.1
267.20502	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1589
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
53.03945	5.0
55.01861	2.1
55.05510	8.6
57.03436	19.4
60.72254	0.9
61.27717	0.8
61.71068	0.7
65.03922	1.1
67.05173	1.1
67.05505	14.4
69.03411	2.5
69.07051	3.6
70.18782	3.5
71.04998	1.2
77.92491	0.7
79.05483	11.6
81.03416	100.0
81.07057	14.7
82.03758	1.2
83.04980	6.6
83.08141	1.2
83.08617	14.5
85.06506	1.3
91.05477	17.5
93.07043	7.9
95.04968	19.2
95.08605	5.1
97.02877	2.3
97.06506	1.2
97.10178	1.7
99.60420	0.7
103.05423	1.0
105.07026	13.6
107.04954	4.8
107.08580	3.9
109.06502	3.0
109.10144	1.4
111.04395	1.1
111.08089	5.6
115.05416	0.8
117.06985	1.1
119.08572	13.2
121.06496	2.3
121.10131	5.8
123.08038	1.3
123.11717	1.7
129.07004	8.1
131.08563	7.3
133.06476	3.5
133.10133	4.2
137.09560	1.9
137.27965	0.7
142.07730	2.4
147.08028	3.2
147.11656	9.4
149.09615	3.9
157.10118	7.3
165.12793	2.6
175.11145	6.4
193.12227	18.5
193.13875	1.4
211.13298	3.0
227.96600	0.9
267.15906	33.2
275.36700	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.159
Annotation	Rugosal A
Peak:m/z	Relative Intensity
51.55654	0.6
53.03947	1.8
55.01873	2.6
55.05261	1.0
55.05511	13.0
57.03439	6.4
57.07076	1.1
65.03948	1.7
66.94733	0.7
67.05505	39.7
69.03424	1.4
69.07066	16.4
69.45965	4.0
71.05000	3.9
71.08640	0.6
73.06533	0.7
79.05495	23.4
80.62508	0.5
81.03427	3.8
81.07056	100.0
82.07404	1.3
83.04982	8.0
83.08623	7.1
85.06548	4.4
91.05479	28.1
93.07044	13.7
95.04957	5.1
95.08604	27.6
97.06532	6.9
97.10167	0.8
99.08089	4.4
101.06023	1.3
105.07031	36.3
107.04967	1.3
107.08595	9.9
109.06533	4.6
109.10169	1.6
111.08084	1.6
117.07033	1.3
119.08580	26.3
121.10145	17.6
121.11020	0.8
123.07324	0.6
123.08070	4.2
123.11706	24.3
127.07552	1.9
129.06998	1.7
131.08606	2.1
133.10135	3.2
137.13275	2.0
141.09116	1.4
145.10213	0.7
147.11688	54.3
148.11990	1.4
149.09503	0.7
151.11169	0.6
157.10144	2.4
165.12756	20.2
169.08716	0.6
175.11198	2.1
183.13771	1.1
193.12262	1.9
195.57486	0.5
267.15909	61.0
268.16122	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1589
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03953	4.6
55.01859	1.7
55.05508	8.9
57.03438	19.1
57.07059	1.0
63.69104	0.8
67.05504	12.1
69.03442	1.9
69.07052	4.2
71.05002	1.0
71.32191	1.9
73.77878	1.0
79.05494	12.4
81.03416	100.0
81.07059	14.3
83.04974	7.4
83.08614	15.7
91.05480	19.8
93.07046	8.3
95.04963	22.3
95.08591	5.1
97.02876	1.4
97.06554	1.9
97.10140	2.5
105.07026	15.0
107.04936	4.3
107.08587	2.2
109.06499	3.2
109.10146	2.2
111.04472	1.3
111.08062	5.9
117.07070	1.5
119.08585	15.8
121.06506	1.6
121.10156	4.3
123.08077	1.2
123.11712	1.0
128.06212	0.9
129.07002	9.5
131.08548	7.1
133.06494	2.9
133.10107	3.6
142.07741	2.0
145.10146	1.3
147.08034	3.3
147.11688	7.4
149.09618	2.2
157.10133	7.8
158.17378	0.9
165.12761	2.6
175.11183	8.8
193.12250	15.1
211.13290	2.8
249.14917	0.9
267.15909	34.9
278.58902	0.9
285.10086	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1591
Annotation	Grangolide
Peak:m/z	Relative Intensity
51.57112	0.6
52.23477	0.6
53.03947	3.9
54.50693	0.8
55.01874	2.5
55.05508	11.5
56.96568	0.7
57.03436	22.6
57.07069	0.9
65.03938	1.4
67.05502	21.4
69.03429	3.5
69.06721	1.0
69.07066	8.6
71.04987	3.6
71.59000	1.2
79.05127	0.5
79.05491	22.2
81.03416	100.0
81.07055	29.3
83.04979	7.9
83.08614	15.0
83.46452	0.7
85.06544	3.4
88.25599	0.8
91.05479	28.4
93.07043	15.6
95.04968	25.8
95.08600	13.4
97.02883	2.3
97.06548	5.0
97.10173	2.1
98.97615	0.8
99.04478	1.0
99.08098	1.6
103.05474	1.3
105.07027	23.3
107.04948	7.2
107.08577	7.5
109.06528	5.1
109.10176	4.6
111.04436	1.6
111.08073	8.4
115.05463	2.2
117.07018	2.7
119.06805	0.7
119.08578	19.2
121.06477	3.3
121.10146	8.9
123.08048	2.7
123.11709	4.0
125.06001	0.9
125.09605	1.3
127.07562	0.7
128.06212	0.8
129.07005	11.3
131.08560	8.1
133.06490	2.1
133.10121	8.8
135.04459	0.9
135.08055	1.2
135.11661	1.0
137.09621	2.5
142.07765	2.9
145.10114	2.5
147.08057	3.3
147.11681	18.5
149.09616	4.7
157.10121	11.7
159.11684	0.9
163.11171	1.2
165.12732	5.4
171.11705	1.5
175.11195	10.2
178.06190	1.7
193.12244	19.6
207.13853	0.9
207.48357	0.7
211.13318	3.2
211.15015	0.8
225.16347	1.0
243.08887	1.4
249.05656	1.2
249.14838	1.2
249.18497	0.8
251.07333	0.9
265.08887	1.8
267.06763	1.3
267.10306	2.7
267.15906	42.7
267.20465	1.2
283.09991	4.9
285.11383	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1339
Annotation	gamma-Glutamyltyramine
Peak:m/z	Relative Intensity
53.03961	0.5
55.05510	0.8
56.05030	2.3
57.07053	0.7
59.25918	0.5
67.05494	1.0
69.03423	0.6
69.07073	1.0
71.02982	1.1
79.05484	1.6
80.39171	0.5
81.07048	1.3
84.04504	30.1
85.02901	1.2
86.62634	0.5
91.05475	4.8
93.07045	9.5
94.11399	0.5
95.04961	2.1
95.08601	1.0
98.97586	0.6
102.05531	1.0
103.05474	4.8
105.07002	0.9
107.04961	1.2
107.08559	0.5
111.84459	0.5
112.32623	0.5
119.62217	0.6
121.06505	100.0
122.06830	1.0
128.43080	0.5
128.98627	0.5
130.05006	8.0
133.06506	0.7
135.04413	0.8
137.05968	0.6
138.09140	36.3
144.37013	0.5
153.01788	0.5
163.03882	1.4
175.07660	0.7
176.07002	1.3
177.07951	1.0
195.35146	0.5
204.10202	7.6
206.11745	6.0
221.04465	0.7
221.12950	2.6
250.10751	23.3
251.11176	0.6
267.00180	0.7
267.09143	0.8
267.10187	0.5
267.13428	8.6
268.15576	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1338
Annotation	gamma-Glutamyltyramine
Peak:m/z	Relative Intensity
51.50822	0.5
56.05027	1.6
60.86889	0.4
64.73017	0.5
70.00301	1.9
76.12744	0.5
81.40722	0.5
84.04501	23.3
85.02898	1.3
91.05491	3.0
93.07045	7.0
95.04946	1.2
95.91950	0.5
98.20850	0.6
98.97627	0.6
101.31613	0.5
102.05547	0.7
103.05459	5.2
121.06502	100.0
122.06844	1.0
130.04999	14.5
138.09134	27.4
154.11313	0.6
170.93869	0.5
188.40639	0.5
203.27997	0.5
204.10207	3.2
221.12883	1.9
249.12195	0.7
250.10748	14.7
250.13266	1.0
267.13428	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	267.1339
Annotation	gamma-Glutamyltyramine
Peak:m/z	Relative Intensity
53.03938	0.5
55.95716	0.3
56.05024	1.2
63.04081	0.4
70.46886	0.7
70.47272	0.9
74.06094	2.0
84.04504	22.1
85.02891	0.6
87.06375	0.3
87.52483	0.4
89.95644	0.4
91.05501	2.4
93.07040	6.1
93.19849	0.4
95.04945	1.1
102.05532	0.8
103.05473	3.3
111.38441	0.4
115.39970	0.4
120.08095	1.0
121.06506	100.0
122.06860	1.3
123.68365	0.4
130.05008	12.8
138.09137	16.6
166.08641	0.6
214.32472	0.4
221.12819	5.5
250.10751	16.2
267.13412	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	267.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38930	0.4
53.03934	0.5
53.57536	0.3
55.05511	0.4
56.05018	1.3
67.05480	0.4
69.03426	0.4
70.06582	0.4
71.56834	0.4
79.05486	0.7
81.03416	0.5
81.07048	0.7
83.04968	0.3
84.04501	23.2
85.02902	1.1
85.04823	0.4
91.05479	3.1
92.27540	0.3
92.62151	0.4
93.07043	6.7
95.04957	1.3
102.05523	1.0
103.05461	4.3
105.07011	0.4
107.04948	0.7
115.52665	0.3
117.04075	0.3
121.06498	100.0
122.06848	1.3
130.05000	14.6
135.04398	0.4
135.08035	0.5
137.06013	0.4
138.09134	25.4
142.08643	0.4
152.91386	0.3
153.01808	0.5
154.08636	0.5
204.10207	3.7
221.12871	2.0
250.10724	14.7
251.10973	0.4
257.39554	0.4
267.13416	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	267.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.3
56.05020	1.1
70.82581	1.0
74.06075	2.7
84.04503	21.4
85.02905	0.7
85.04815	0.3
91.05469	2.6
93.07039	5.9
95.04965	1.3
102.05524	1.1
102.86491	0.4
103.05460	3.7
107.93372	0.3
120.08099	1.3
121.06500	100.0
122.06834	0.8
130.04994	11.6
138.09137	15.0
157.40346	0.3
166.08630	1.3
204.10059	0.4
221.12836	5.3
250.10739	15.9
267.13416	6.0
285.01852	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77884	0.4
53.03942	0.3
56.05024	1.0
60.08928	0.3
69.60703	0.3
70.97653	0.4
70.97995	0.9
74.06052	1.1
74.06442	0.3
84.04507	24.8
85.02895	0.7
89.64072	0.3
91.05485	2.3
93.07056	5.2
95.04957	1.4
102.05550	1.0
103.05460	3.2
120.08100	1.1
121.06508	100.0
122.06874	1.3
130.05011	12.1
138.09145	16.2
150.16307	0.4
160.55226	0.4
161.17726	0.4
170.00154	0.4
189.37802	0.4
221.12877	4.9
250.10762	15.4
263.98611	0.4
267.13385	6.1
267.16046	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74724	1.2
55.01868	1.5
55.05508	1.4
56.96556	1.2
57.03429	5.3
60.38938	1.1
66.02480	1.2
67.05489	3.0
69.03400	1.1
69.07074	2.0
70.70371	1.9
70.70705	2.5
71.04983	1.3
72.08156	3.0
79.05479	6.0
81.03416	7.4
81.07047	4.8
83.05030	1.6
83.08613	1.6
84.04495	1.9
85.02889	1.9
91.05464	6.5
93.07056	4.0
94.06550	2.2
95.04956	4.4
95.08588	3.0
97.06528	3.8
101.76335	1.1
103.05470	5.5
105.07022	20.1
107.04964	4.2
107.08603	2.6
109.06553	1.4
115.05457	5.5
118.04166	8.1
119.04926	1.3
119.08568	2.3
121.06489	4.0
121.08542	1.1
121.10118	3.0
129.07005	1.6
131.04950	4.4
132.05734	8.1
133.06490	16.6
133.10052	1.3
135.04422	3.0
138.09128	5.9
145.06425	1.7
146.03622	34.8
146.04750	2.2
148.05168	1.3
149.06056	1.6
152.05692	5.5
157.10091	1.4
158.85703	1.2
160.05220	2.3
161.05977	31.3
161.07265	2.4
163.03865	7.4
163.07495	1.3
168.06639	1.5
169.06917	1.9
174.34151	1.2
175.07564	1.4
175.11209	2.0
177.05452	1.4
178.06242	100.0
179.06708	2.9
190.06273	3.4
191.06973	7.6
192.07800	3.3
193.08591	33.4
193.12292	1.6
203.10706	2.8
211.09746	1.8
221.04501	3.0
249.11246	1.7
267.15997	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43270	1.8
52.45508	1.8
55.01860	4.1
55.05492	5.2
56.96554	3.0
57.03423	3.3
57.07032	1.9
59.86728	1.8
61.18971	2.0
63.52055	2.1
67.05499	10.6
69.03435	2.2
69.07053	3.5
71.57817	3.2
72.03486	2.2
79.05473	8.6
81.03405	3.4
81.07037	8.1
84.04498	2.7
85.02915	2.4
91.05466	8.2
93.07027	6.2
95.04929	4.6
95.08601	4.4
95.10696	2.1
103.05478	5.7
105.07030	19.9
107.04924	4.9
107.08576	5.5
109.10174	3.9
115.05505	2.7
116.98618	2.2
118.04156	6.5
119.08576	2.4
120.08064	4.9
120.54666	1.9
121.06486	8.8
121.10126	5.0
123.08107	3.7
131.04913	5.1
132.05673	4.6
133.06514	16.9
135.04427	2.3
146.03648	35.1
147.11665	3.4
153.01810	3.1
160.05211	3.2
161.05972	33.0
163.03880	9.5
178.06252	100.0
190.06322	2.5
191.07034	7.3
192.68472	1.8
193.08600	37.5
215.69731	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
54.13920	0.2
56.19210	0.2
56.96563	1.5
63.44165	0.2
65.03928	0.4
67.05505	3.0
69.03415	0.6
70.17920	0.8
70.18335	0.5
73.02909	0.3
73.06615	0.3
79.05479	0.6
81.03408	0.3
81.07046	0.3
84.04505	0.6
84.08128	0.5
85.02883	0.3
87.57137	0.3
91.05460	0.4
93.07036	0.4
94.06564	10.0
95.04960	0.5
97.02876	0.5
98.21404	0.3
98.97575	1.1
100.03979	1.2
101.02386	0.3
105.67776	0.3
106.06550	3.7
107.04984	0.2
116.98617	0.9
118.05003	0.8
120.04454	0.7
121.06502	2.0
122.06030	8.3
130.14687	0.2
134.99673	0.6
136.06171	1.6
148.03920	0.3
150.05504	100.0
150.99158	0.5
151.05841	1.1
151.98572	0.3
152.06975	0.3
155.04771	0.3
168.06561	3.7
169.64284	0.2
173.94681	0.2
176.07057	0.5
177.00772	0.4
199.05725	0.2
206.11717	0.4
208.02829	0.5
226.03868	1.7
244.04906	2.5
248.98965	0.3
250.10889	0.3
262.06009	1.2
267.00302	0.4
267.09763	3.2
267.13629	0.4
268.97839	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.4
55.05495	0.7
56.96557	1.3
57.03426	1.5
58.04784	0.6
61.16431	0.6
67.05497	4.4
68.05814	1.2
69.30779	1.2
69.31110	6.9
77.16602	0.6
79.05509	2.9
80.05040	0.8
81.03426	5.6
81.07050	4.3
82.06564	2.2
83.08584	0.9
91.05467	2.7
93.05751	0.7
93.07020	1.5
94.06564	2.0
95.04973	1.2
95.08590	2.4
96.08907	0.8
105.07026	1.7
105.25626	0.6
107.07299	1.2
108.08135	5.6
108.98908	0.8
109.08901	1.4
109.10145	1.5
110.10436	0.8
118.06516	0.7
119.08576	1.3
120.08097	3.1
121.08858	1.1
122.09666	1.9
123.06760	0.7
123.11738	0.7
124.11243	1.5
131.07239	1.1
131.08597	0.9
132.08069	2.0
133.10129	0.8
134.09656	6.6
136.07574	12.5
136.11163	1.2
144.08076	1.0
147.30472	0.6
148.07588	1.4
148.11186	1.2
149.11948	0.8
150.09111	2.1
150.12718	1.7
160.11221	1.9
162.09070	0.8
162.34381	0.7
164.07043	3.0
165.11476	2.4
178.12268	19.6
190.12285	0.8
193.12317	0.9
204.13696	0.7
206.11752	100.0
207.12137	1.8
220.13365	0.9
220.17065	1.0
232.16827	0.9
234.14883	1.2
243.08971	3.0
248.16428	1.8
249.17473	0.8
261.10092	2.5
266.17453	10.8
266.21967	1.4
267.15887	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	266.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08159	9.1
61.02924	1.3
63.43553	0.7
68.71296	0.6
69.03413	1.9
70.01464	0.6
70.84946	1.5
71.01359	1.1
73.02914	2.7
76.98900	0.6
82.06553	3.5
84.16769	0.6
85.02911	2.6
87.04462	3.0
92.30649	0.6
97.02911	0.9
99.04433	2.0
100.07608	5.2
101.02372	0.8
104.10738	100.0
109.02878	0.8
119.01850	0.7
127.03937	1.1
188.45804	0.7
266.02789	1.4
266.15982	91.8
267.16437	1.1
284.03674	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04894	0.4
54.47875	0.4
55.05525	0.8
57.03437	0.6
59.04998	0.8
61.02929	1.1
70.84618	0.7
71.04992	1.8
79.05498	1.1
81.03423	0.5
81.07068	4.2
82.06592	0.7
84.04490	0.7
91.05511	0.8
94.04062	1.4
94.06543	0.4
95.04929	0.4
95.08633	0.4
96.08144	0.5
97.06497	0.6
103.44142	0.4
107.08610	0.5
119.03546	2.6
124.07577	2.2
130.04988	0.8
136.06186	100.0
137.04597	2.9
137.06674	0.4
148.06075	0.7
150.07716	0.7
181.42978	0.4
202.09006	0.4
207.25217	0.5
214.98120	0.4
234.13499	19.8
235.13838	0.6
248.16472	1.0
266.16110	40.6
267.16306	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2524
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
55.01826	5.1
55.05508	63.7
57.03437	6.4
57.07073	33.2
62.39081	5.1
67.05505	73.3
69.07063	100.0
69.39116	46.8
71.04977	6.4
71.08623	15.3
73.37338	4.6
74.81406	4.3
79.05495	35.5
81.07053	81.3
83.08608	62.3
88.59254	4.6
91.05460	10.7
93.07041	52.4
95.04957	4.7
95.08605	87.2
97.06532	24.9
97.10172	44.6
99.08118	6.5
107.08591	29.9
109.10163	39.7
111.08071	14.3
111.11710	12.5
121.10148	63.2
123.11707	13.3
135.11700	44.6
137.13327	6.4
149.13255	16.5
151.14859	4.5
163.14861	5.8
165.16353	7.6
179.08633	6.3
205.19540	5.8
235.07574	6.0
247.24188	37.8
250.09894	9.1
265.12305	12.4
265.25281	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	266.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04967	1.3
60.04522	12.6
63.97974	1.0
70.02941	2.3
70.88464	3.0
71.95383	1.0
88.03991	58.7
90.95124	1.4
91.05479	76.0
98.29675	1.0
102.05539	100.0
103.05881	1.2
105.47403	1.2
130.04984	2.2
146.05952	1.6
148.06041	49.3
206.08197	2.8
220.09645	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	265.1547
Annotation	Val Phe
Peak:m/z	Relative Intensity
51.29944	0.3
53.03952	0.4
55.05509	13.3
56.05022	0.6
56.96525	0.4
57.05809	1.3
67.05508	0.6
68.81314	0.3
69.94230	1.7
70.06571	0.5
72.08154	100.0
73.08482	0.5
79.05493	0.4
81.07059	0.3
84.08137	0.3
86.09726	0.5
91.05491	0.7
93.07043	0.8
95.04977	0.6
95.08595	0.4
98.21370	0.5
103.19560	0.3
107.04996	0.4
119.04922	0.4
119.08581	0.4
119.47443	0.3
120.08102	14.9
122.07155	0.8
131.04909	0.5
136.06203	0.5
147.04454	0.8
166.08644	8.7
167.30614	0.3
170.05043	0.3
219.14738	0.4
247.13338	0.5
265.15393	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1433
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
52.02338	3.6
53.03940	6.4
55.05509	16.3
65.03941	12.0
67.05510	32.0
69.03427	46.3
69.07072	9.0
69.76147	3.9
70.42543	14.9
71.04995	12.4
79.05489	30.2
81.03402	4.7
81.07069	19.5
83.04964	8.4
85.02913	4.7
91.05473	60.6
91.98226	3.8
93.03410	10.7
93.07040	47.3
95.04963	53.1
95.08590	19.6
97.02883	4.9
97.06532	6.8
99.04461	10.7
103.05460	5.6
105.07023	83.2
105.07672	5.1
107.04960	9.4
107.08600	20.5
109.06528	28.2
109.10169	13.3
111.04436	36.5
111.08095	14.3
113.05997	13.3
115.05460	10.4
116.06279	5.0
117.07033	16.3
119.08579	100.0
120.08103	11.8
121.02850	15.5
121.06515	46.7
121.10157	16.4
122.07148	10.9
123.08073	28.6
125.06035	4.1
126.16777	3.6
128.06241	10.7
129.07010	22.2
130.07764	6.6
131.08553	48.2
133.06490	12.8
133.10139	19.7
135.08051	91.2
137.09631	25.2
139.03903	8.8
139.07556	8.8
141.06982	5.2
142.07777	15.4
143.08574	17.5
144.05739	5.0
144.09355	13.3
145.06459	18.9
145.10101	40.8
146.07234	6.9
147.08049	41.9
147.11691	12.0
149.05989	4.1
149.09621	11.2
152.48061	3.8
153.07019	7.8
155.08575	8.6
156.09331	7.6
157.06522	7.1
157.10118	20.2
158.07274	23.5
158.10919	6.5
159.08070	42.3
159.11694	41.9
161.06020	6.1
161.09607	32.7
161.13297	4.2
165.09100	27.6
168.09457	7.2
169.10091	6.2
171.08067	8.9
171.11655	9.4
172.08838	23.0
173.09605	19.7
173.13268	23.1
173.96835	5.1
175.07538	71.4
175.11147	38.7
183.11707	14.8
185.09637	8.9
186.10437	13.7
187.11136	32.5
188.08415	5.7
189.09128	5.8
189.12779	13.5
193.08565	19.8
193.10156	4.7
196.08835	12.0
199.11224	15.1
201.12750	43.2
203.10643	40.8
205.08481	4.1
205.12265	7.3
211.11209	16.6
217.12172	19.7
229.12225	24.5
235.13235	3.8
247.13269	38.4
265.03311	5.6
265.14383	34.1
270.27823	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	265.1434
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
53.03936	7.2
55.01868	10.7
55.05503	22.1
56.05027	12.7
57.03415	8.5
57.07063	6.4
63.00740	6.1
65.03924	13.5
67.05502	34.0
68.99804	7.0
69.03423	35.8
69.07056	18.2
70.06594	15.7
71.04981	11.7
71.57834	8.9
72.08135	8.0
72.93778	16.4
79.05484	26.5
81.04530	8.3
81.07054	33.3
83.04960	10.7
83.08606	9.2
83.39020	5.2
83.44973	5.8
84.04490	8.8
84.08154	8.0
85.02889	12.6
86.09704	33.5
90.94817	12.9
91.05476	75.0
93.03382	11.8
93.07040	52.3
95.04973	50.8
95.08605	32.7
97.02885	14.8
97.06518	20.6
99.04432	7.0
100.35323	5.6
103.05459	13.2
105.07034	82.1
106.04929	10.4
107.04961	14.5
107.08585	32.7
108.95860	9.1
109.06505	35.4
109.10133	14.4
110.07197	8.6
111.04418	34.4
111.08077	9.5
113.02339	5.6
113.05999	17.3
115.03941	13.0
115.05419	7.9
115.31170	5.6
116.06259	10.6
117.07012	22.7
119.04925	6.2
119.08573	100.0
120.08108	54.8
121.02866	9.3
121.06504	54.0
121.10148	16.4
122.07142	43.0
123.04441	8.0
123.08115	27.9
127.03909	7.0
128.06207	11.9
129.06987	25.7
130.07744	9.4
131.04930	8.5
131.08571	53.1
133.06471	14.5
133.10114	23.1
135.08035	79.0
135.11617	6.4
137.09590	16.4
139.03871	17.3
139.07549	9.2
141.06981	12.3
142.07787	17.8
142.97702	5.9
143.08545	23.3
144.04759	15.7
144.09270	9.8
145.02812	10.8
145.06493	20.7
145.10103	29.6
147.04402	14.1
147.08028	46.0
147.11690	16.1
149.05983	11.4
149.09631	11.7
151.07530	11.5
153.01817	15.6
155.08502	10.4
157.10143	21.9
158.07260	22.3
158.10818	6.5
159.08055	56.9
159.11722	53.7
160.08905	6.0
161.05927	9.5
161.09639	42.7
161.13275	9.3
163.07550	10.0
165.09135	29.0
168.09340	12.4
169.10126	8.1
171.08049	9.7
172.08826	23.0
173.09604	19.5
173.13255	21.1
175.07542	72.9
175.11147	42.8
177.05438	16.2
183.11720	13.5
185.09596	15.7
187.11145	43.4
189.09018	11.0
189.12779	22.2
191.03421	8.7
193.08658	35.1
193.10132	9.9
199.11168	20.4
201.12711	42.6
203.03450	8.3
203.10660	52.0
205.12297	7.1
211.11179	20.4
217.12222	29.5
219.13820	10.8
221.04340	6.1
229.12239	26.9
247.13263	40.6
265.03427	29.1
265.07050	18.5
265.14401	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1435
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
52.17632	4.0
53.03940	5.8
55.05500	15.3
57.03412	4.4
65.03941	10.5
67.05500	33.7
69.03432	41.1
69.07059	6.2
69.92704	21.3
71.04992	6.7
72.08142	20.3
79.05488	25.3
81.03398	6.1
81.07049	24.4
83.04962	12.5
85.02925	3.9
91.05482	62.2
93.03390	7.1
93.07048	42.4
95.04976	48.9
95.08614	24.9
97.02911	9.4
97.06549	7.5
99.04465	7.2
103.05453	10.3
105.07037	72.0
107.04918	9.0
107.08591	24.6
109.06526	33.7
109.10152	4.9
111.04412	24.0
111.08064	8.5
113.06020	20.5
115.05458	12.5
116.06236	7.1
117.07018	16.7
119.04962	7.0
119.08585	100.0
120.08103	52.3
121.02856	9.1
121.06508	46.9
121.10181	16.0
123.04449	19.7
123.08074	21.6
128.06229	8.6
129.07005	26.0
129.07797	3.9
130.07777	12.1
131.04919	5.6
131.08574	45.5
133.06497	15.4
133.10146	21.3
135.08051	83.7
137.05907	5.2
137.09615	13.2
139.03926	8.8
139.07588	6.6
141.06969	15.9
142.07777	11.0
143.08577	21.5
144.05710	4.9
144.09320	13.3
145.06462	21.0
145.10124	31.4
146.07213	4.5
147.08055	41.2
147.11681	13.2
149.05974	5.3
149.09618	11.0
151.07527	5.9
153.07011	5.3
155.08522	6.9
156.09323	9.9
157.06458	4.7
157.10066	25.5
158.07288	24.6
158.10870	5.8
159.08078	37.4
159.11717	38.5
160.08817	6.3
161.06029	5.7
161.09608	37.5
163.07538	6.2
165.09137	27.3
167.04710	4.7
168.09370	8.1
169.10156	6.3
171.08046	12.7
171.11688	7.6
172.08878	27.1
173.09651	20.3
173.13237	22.8
174.06767	5.8
175.07562	70.2
175.11183	37.8
183.11584	6.9
185.09604	6.2
186.10345	4.5
187.07587	4.5
187.11166	37.4
189.09140	12.7
189.12718	19.0
193.08603	21.7
193.10167	5.9
196.08882	7.5
199.11205	16.4
201.12794	28.0
203.10670	38.4
205.12273	4.5
211.11195	20.5
217.08682	6.3
217.12175	25.3
219.13745	9.7
229.12146	23.1
235.13184	5.3
247.13168	24.4
264.38480	4.2
265.11880	7.8
265.14484	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	265.1433
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
51.64915	2.8
53.03957	3.0
53.33963	2.8
54.46582	3.1
55.01859	3.4
55.05501	9.1
63.66936	3.1
65.03937	10.6
67.05500	28.8
69.03423	32.4
69.07047	3.7
69.61175	12.0
69.61597	12.0
71.04979	6.8
74.02793	2.8
79.05498	23.8
81.07063	17.2
83.04967	8.2
91.05479	54.1
93.03429	6.9
93.07034	40.7
95.04973	43.0
95.08608	20.6
97.02890	4.7
97.06555	7.2
98.21490	6.1
99.04482	3.7
103.05471	4.2
104.77861	3.1
105.07024	68.7
107.04944	8.6
107.08613	18.2
109.02844	2.9
109.06513	34.3
109.10148	8.8
111.04435	25.2
111.08051	8.7
113.05981	17.0
115.05482	5.6
116.06231	4.9
117.07021	20.9
119.08575	100.0
121.02837	7.9
121.06502	48.1
121.10139	9.2
122.07222	4.0
123.08053	23.6
125.05936	3.2
128.06218	6.0
129.07022	24.2
130.07809	7.2
131.08562	45.5
133.06494	12.7
133.10114	19.0
135.08058	77.5
137.06058	4.5
137.09555	15.7
139.03893	13.1
139.07545	6.1
141.07027	10.2
142.07747	9.6
143.08585	13.9
144.05753	4.8
144.09315	8.0
145.06480	16.7
145.10114	27.7
146.07294	3.7
147.08037	41.0
147.11684	10.8
149.05980	4.3
149.09610	10.2
151.07530	4.6
153.07042	4.1
154.07764	3.5
155.08571	10.5
156.09409	7.1
157.06468	6.7
157.10139	18.8
158.07291	21.8
158.10805	3.8
159.08049	44.3
159.11687	31.1
160.08780	4.3
161.06021	3.8
161.09622	34.2
161.13211	5.0
165.09117	30.7
167.10684	3.0
168.09352	6.4
169.10088	5.9
171.08055	11.7
171.11700	8.9
172.08829	27.7
173.09621	22.0
173.13261	20.4
175.07523	69.9
175.11179	37.0
181.06433	5.0
183.11685	11.4
185.09612	9.6
186.10371	5.9
187.11198	35.2
189.09100	8.9
189.12740	12.6
191.07133	4.4
193.08633	19.3
193.10176	5.3
196.08881	6.7
199.11089	14.1
201.12694	34.2
203.10661	36.7
205.12219	5.9
207.10184	5.3
211.11160	17.3
217.12251	20.5
219.13768	8.6
229.12256	21.9
235.13319	6.0
247.13290	30.6
265.14331	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	265.1434
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
53.03924	4.6
55.05503	15.0
62.21931	5.3
64.74418	5.2
65.03929	7.5
67.05503	28.0
69.03439	30.6
69.07084	7.0
69.42191	16.7
69.42614	24.9
71.04991	6.6
79.05491	21.4
81.07060	19.0
83.04980	11.2
91.05486	60.5
93.03394	5.8
93.07056	39.8
95.04966	52.4
95.08595	23.5
97.06550	7.8
99.04443	8.5
103.05461	13.1
105.07030	61.4
107.04981	5.4
107.08585	17.9
109.06519	28.4
109.10199	4.5
110.98704	5.2
111.04462	29.9
111.08205	5.5
113.05997	14.4
115.05419	7.4
117.07025	14.7
119.08578	100.0
119.09371	8.9
120.08109	30.0
121.02895	11.1
121.06510	40.3
121.10136	13.4
123.04431	5.2
123.08051	25.9
129.06984	14.2
131.08580	43.8
133.06470	10.8
133.10123	15.3
135.08049	90.5
137.09601	17.9
139.03896	9.6
139.07567	8.1
142.07759	9.7
143.08549	11.1
144.09334	14.9
145.06529	14.9
145.10149	34.8
146.07271	5.3
147.08037	45.4
147.11685	15.2
149.09622	14.3
153.09105	5.1
155.08546	10.5
156.09303	8.0
157.10141	21.5
158.07286	23.0
159.08073	37.1
159.11676	41.1
161.06064	9.1
161.09616	39.5
165.09073	29.6
168.09346	5.6
171.08121	5.9
171.11717	9.4
172.08865	21.9
173.09622	18.9
173.13242	21.8
175.07544	67.4
175.11186	38.5
183.11598	10.7
185.09666	13.7
186.10431	7.5
187.11195	45.7
189.09175	13.3
189.12712	13.6
191.10579	5.1
193.08629	21.8
193.10234	6.2
196.08839	8.6
199.11240	19.2
201.12711	29.2
203.10672	43.7
207.10176	5.2
211.11238	27.2
217.12308	22.5
219.13770	8.6
228.75203	5.3
229.12247	22.2
235.13208	5.9
247.13297	24.7
265.11761	11.4
265.14401	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	265.1434
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
51.62772	2.9
55.01861	7.8
55.05495	14.6
57.07069	8.8
59.04990	5.6
60.04510	3.1
62.22556	3.2
65.03920	13.2
67.05506	29.3
68.99783	4.5
69.03427	28.3
69.07057	9.4
69.85546	22.1
71.04992	7.2
79.05495	32.6
81.07061	30.2
83.01330	3.3
83.04984	18.2
83.08610	4.2
85.02887	6.4
85.06521	3.5
88.03989	32.2
91.05480	100.0
93.03378	8.0
93.07040	43.5
95.04970	34.0
95.08606	25.6
95.09713	3.3
97.02888	7.9
97.06538	19.5
98.20772	3.1
99.04445	7.0
102.05541	50.6
105.07027	51.1
107.04938	11.9
107.08584	42.0
109.06509	30.6
109.10157	11.1
111.04433	26.0
111.08057	12.8
113.02406	3.9
113.05974	8.9
115.05428	9.9
117.06982	19.2
119.04915	5.1
119.08572	78.0
120.08100	5.3
121.02854	9.0
121.06510	40.2
121.10132	22.8
122.07152	10.8
123.04405	6.0
123.08046	21.8
128.06161	5.8
129.06989	14.5
130.07735	7.8
131.08589	32.6
133.06496	7.9
133.10112	16.5
135.08049	70.6
135.11665	12.4
136.89545	3.6
137.05992	6.7
137.09578	13.3
139.03880	16.0
139.07527	6.3
141.06964	5.8
142.07756	5.7
143.08572	8.8
144.04736	4.5
144.09325	8.0
145.06459	17.9
145.10135	25.4
147.04420	5.0
147.08043	30.5
147.11644	8.3
148.04903	6.3
148.06032	23.9
149.05952	9.0
149.09599	11.4
151.07573	24.8
153.09094	11.9
155.08438	6.0
156.09300	7.1
157.10117	14.8
158.07259	10.0
158.10893	5.8
159.08064	20.5
159.11690	31.2
160.08777	3.8
161.09619	18.6
163.07556	35.1
165.09120	20.2
167.10555	3.8
171.07996	7.5
171.11722	6.6
172.08804	14.4
173.09641	10.5
173.13220	17.4
175.07549	42.7
175.11169	23.5
177.09056	5.9
177.12766	4.8
181.08614	16.5
183.11627	7.8
185.09612	6.0
186.10361	5.7
187.07535	3.9
187.11169	31.2
189.09067	11.4
189.12761	7.6
190.07793	3.9
191.06978	6.8
191.10670	3.8
193.08569	17.8
196.08800	4.8
199.11188	12.6
201.12685	25.3
203.10597	18.5
205.12238	17.4
207.13504	3.6
209.08029	21.6
211.11157	15.4
217.12230	12.4
219.13719	8.1
229.12216	16.1
235.13139	4.3
247.13222	34.2
250.09950	5.1
265.11703	5.1
265.14383	95.7
265.17926	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	265.1433
Annotation	ABSCISIC ACID
Peak:m/z	Relative Intensity
55.05498	14.3
56.96567	7.2
57.07069	9.0
59.04984	6.4
67.05492	12.0
68.99813	6.3
69.03431	25.9
70.76644	10.6
70.76978	11.4
79.05480	22.7
81.07054	13.0
83.04987	69.1
84.96026	6.8
85.56141	5.1
91.05476	27.8
93.07072	34.5
95.04960	19.0
95.08585	11.3
97.02898	7.1
97.06490	5.7
98.20856	7.1
98.97559	13.5
103.05479	8.5
105.07039	28.3
107.04977	6.9
107.08601	48.9
109.02902	9.3
109.06525	17.6
109.10152	9.6
111.04432	57.5
111.08048	14.9
113.02369	5.2
113.06004	30.5
115.05447	9.9
116.98605	9.1
117.07024	11.6
119.08578	31.9
121.06504	36.6
121.10131	12.2
123.08049	21.7
125.09542	6.5
128.21306	5.1
130.57793	5.9
131.08505	11.2
133.06441	8.1
133.10077	7.1
133.16812	4.6
134.99725	7.6
135.08047	98.8
137.09590	7.6
143.08609	5.8
145.06491	16.4
145.10100	18.0
147.08031	9.6
149.06007	10.7
149.09608	20.2
153.09103	26.1
157.10193	6.2
158.10924	7.6
159.08026	9.3
159.11713	16.5
160.08795	7.7
161.01256	7.6
161.09612	12.6
163.07549	66.7
163.11176	14.6
165.09135	15.9
169.10193	6.2
170.10976	6.2
172.08791	14.6
173.06046	7.5
173.13289	23.4
175.11227	7.8
175.14662	7.1
177.12756	12.2
181.08617	5.8
187.11212	44.7
191.07037	18.3
201.12737	31.9
205.12210	14.1
209.08067	14.4
211.11192	5.6
219.13878	24.9
229.12283	43.0
243.10245	20.5
247.13300	100.0
265.08423	7.6
265.14377	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1434
Annotation	Populene F
Peak:m/z	Relative Intensity
50.40198	1.5
52.67266	1.5
53.03941	3.2
55.01868	2.2
55.05494	5.5
56.96564	1.8
57.03429	1.5
57.07064	2.2
65.03928	2.7
67.05510	9.2
69.03423	9.9
69.07079	3.0
70.08494	7.2
70.95888	1.5
71.04985	1.6
71.12827	1.5
76.27582	1.6
79.05504	18.7
81.03413	5.3
81.07053	11.3
83.04980	7.1
83.08601	1.9
85.02876	2.8
91.05479	27.2
93.07043	19.3
95.04967	36.9
95.08615	10.4
97.02889	3.7
97.06526	2.4
103.05415	1.8
105.07037	53.3
107.04957	32.8
107.08596	12.1
108.05285	2.6
109.02886	6.3
109.06523	13.1
109.10153	4.1
111.04443	64.5
115.05449	5.8
117.07025	17.0
119.04938	1.9
119.08580	40.3
121.06512	15.4
121.10167	4.5
122.07134	3.7
123.08068	3.2
128.06239	3.1
129.06976	10.2
130.07755	4.8
131.04938	1.9
131.08566	26.8
133.05476	2.1
133.06487	29.6
133.10129	8.9
135.08066	11.4
136.76926	1.9
137.05977	3.0
137.09555	3.8
141.06996	5.4
142.07765	5.2
143.08565	10.3
144.05690	4.7
144.09320	4.7
145.06511	17.1
145.10133	29.1
146.07205	2.2
147.08044	44.5
147.11678	3.5
149.05917	4.3
149.09639	4.1
151.07547	2.3
153.07031	2.4
154.07797	2.9
155.08542	6.8
155.10648	10.9
157.06470	4.0
157.10173	8.0
158.07304	14.4
158.10872	2.1
159.08064	35.4
159.11693	30.0
161.05957	2.5
161.09593	8.4
163.03839	2.2
163.07544	10.3
165.09067	2.4
167.08504	2.3
168.09312	4.8
169.10127	3.3
171.08069	5.6
172.08842	14.3
173.09570	5.4
173.13271	5.8
175.07553	47.9
175.11125	2.5
178.97894	4.7
180.99574	1.9
183.11691	7.5
185.13313	2.2
186.10509	2.5
187.07590	2.3
187.11172	22.6
189.09070	13.7
191.03358	2.3
191.07008	3.8
193.06841	3.4
193.08607	70.4
193.10052	3.3
196.08784	3.6
196.98984	2.4
199.11201	2.0
201.12750	11.0
203.10706	1.9
205.12241	4.5
211.11197	12.5
217.12253	2.8
219.13876	3.0
220.98999	3.3
223.00607	14.4
229.12219	10.2
239.00056	3.6
247.13290	21.4
265.03369	1.7
265.14349	100.0
266.14664	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	265.1433
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03933	9.7
55.01882	3.7
55.05503	15.5
57.03403	3.7
65.03933	14.4
65.90746	3.7
66.03423	4.1
67.05501	32.8
69.03428	36.7
71.04973	3.5
71.31291	7.8
71.31659	5.1
79.05470	24.3
81.07053	20.5
83.04981	11.6
86.28839	3.9
91.05473	70.1
93.03367	3.8
93.07038	42.2
95.04962	46.0
95.08600	15.4
97.02889	5.5
97.06515	10.9
99.04467	4.6
103.05462	9.0
105.07020	86.2
107.04945	5.1
107.08582	23.8
109.06503	32.1
109.10149	8.1
111.04429	33.8
111.08035	6.9
113.05997	19.0
115.05464	11.3
116.06233	6.4
117.07036	28.2
119.04963	4.8
119.08572	100.0
121.02873	10.8
121.06490	47.7
121.10109	16.6
123.04427	4.3
123.08063	23.3
128.06245	6.1
129.06984	25.0
130.07784	8.7
131.08566	48.1
133.06476	10.3
133.10103	15.9
134.14003	4.0
135.08044	87.1
137.09596	14.8
139.03882	13.9
139.07570	6.5
141.06987	13.6
142.07753	16.0
143.08485	18.7
143.25020	3.5
144.05688	7.0
144.09325	11.5
145.06430	19.8
145.10112	30.5
146.07254	5.6
147.08049	43.7
147.11684	15.8
149.05968	4.9
149.09616	10.5
151.07518	4.5
153.06964	3.4
153.09180	3.6
154.07733	6.6
155.08531	12.4
156.09343	10.6
157.06506	8.8
157.10118	19.5
158.07239	25.6
158.10901	4.8
159.08034	39.8
159.11687	40.9
160.08804	5.7
161.05994	6.1
161.09602	38.0
161.13196	4.2
163.07500	4.0
165.09088	31.1
168.09290	6.9
169.10115	6.6
171.08006	8.7
171.11638	9.6
172.08798	30.8
173.09616	17.2
173.13210	16.6
175.07535	77.0
175.11186	33.7
181.10126	4.9
183.11642	7.4
185.09686	6.4
186.10350	5.4
187.09657	6.4
187.11162	40.3
189.09149	7.4
189.12711	12.1
193.08632	23.0
193.10132	5.1
196.08800	5.4
199.11133	12.5
201.12738	33.4
203.10638	38.9
205.12177	7.8
207.10120	4.1
211.11142	26.5
217.12222	19.9
219.13789	8.8
229.12245	33.0
235.13278	5.1
236.07552	3.2
247.13324	32.3
265.14316	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	265.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
54.03466	0.6
54.38013	0.5
55.01863	1.6
55.05514	3.2
55.93524	2.7
56.05028	2.0
56.96567	7.5
57.03430	2.3
57.07073	0.8
57.95564	0.5
58.99582	0.6
61.01141	0.7
61.02931	2.9
65.03932	0.9
67.05497	1.3
67.70733	0.5
69.03432	4.6
69.07077	1.1
69.57748	4.4
70.02936	1.9
70.06582	2.2
71.04998	1.1
72.08125	0.8
72.93777	1.0
73.02924	2.8
73.06549	2.6
74.02418	0.7
74.06087	0.7
74.97594	0.9
77.89033	0.6
79.05492	1.6
80.05013	1.5
81.03416	2.0
81.04541	15.8
81.07040	1.5
82.00030	0.6
82.06577	0.9
84.04497	1.8
84.08118	1.0
85.02905	6.4
85.07698	0.5
86.03246	0.7
86.09676	0.7
87.04470	0.7
88.04002	0.9
88.99168	0.8
91.05479	2.3
91.96392	0.7
93.07038	1.8
95.04971	1.6
95.08607	1.0
97.02880	4.6
98.06061	0.7
98.20785	1.2
98.97575	3.7
99.04471	0.7
100.02176	0.7
104.05331	2.2
105.07043	2.1
107.04971	0.8
107.08583	1.0
109.02882	1.6
110.07150	0.7
110.97591	0.6
111.04449	0.6
111.09239	0.8
112.01036	1.4
113.02985	1.6
115.05457	0.6
116.98657	3.7
119.01857	2.7
119.04922	0.6
119.08586	2.4
121.01596	2.7
121.06478	1.4
121.10094	1.1
122.07150	100.0
126.03754	1.7
126.05505	0.7
127.03918	1.7
128.02312	0.8
128.06181	0.6
128.98572	1.8
129.97147	0.9
130.06572	0.7
131.01898	0.6
133.01636	1.1
133.03279	1.3
133.10118	0.7
134.99640	2.4
135.08041	1.9
136.07590	1.1
137.05991	1.5
137.09653	0.7
139.01529	0.8
143.01907	0.8
144.04782	28.7
144.98135	0.8
145.01595	1.4
145.06468	1.2
145.10204	0.9
146.04140	0.8
146.99664	1.9
147.01141	0.6
147.03268	0.8
147.04408	1.1
147.08009	0.8
147.55927	1.3
150.05815	1.4
153.00717	0.6
153.01801	1.3
154.02051	0.8
155.04643	3.4
157.03505	0.7
158.99673	1.2
159.08066	1.0
159.11656	1.0
161.01213	1.1
161.02924	0.8
161.09642	1.3
162.03101	0.7
162.95380	1.7
162.99110	1.8
163.02663	3.5
164.05225	3.1
165.00726	0.6
165.09212	1.0
166.55455	1.2
171.07701	0.7
173.02971	0.7
173.09587	0.6
175.02637	2.0
175.07585	0.8
175.11142	1.1
175.55978	0.6
177.00726	1.6
177.02216	0.6
180.96422	1.4
181.00214	0.8
184.03101	1.7
187.11270	1.2
201.12947	0.9
203.04057	0.6
203.10680	1.4
204.04686	2.1
205.00183	1.9
206.03299	0.8
219.01614	0.7
219.07964	0.6
219.14098	0.6
222.97633	1.0
223.01224	4.5
237.02802	0.9
240.98515	0.8
241.95152	2.4
247.01143	1.4
247.13594	1.0
259.96158	4.3
260.04349	2.0
265.02383	0.8
265.05487	0.6
265.11655	1.0
265.18219	0.7
282.97794	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.1
54.43189	0.7
67.05496	1.5
70.65237	2.0
71.04992	100.0
79.05487	1.2
81.07068	6.8
82.06580	9.4
95.08582	1.0
98.20776	0.8
107.08624	1.0
113.09641	48.8
124.11238	9.3
127.70937	0.8
152.10712	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	264.1957
Annotation	Flabelliformine
Peak:m/z	Relative Intensity
55.05503	7.0
57.07077	5.3
63.93126	0.6
67.05506	6.5
68.05828	1.9
69.07079	1.1
69.25988	9.0
71.05001	8.6
71.82413	0.9
79.05476	2.4
81.07064	7.5
82.06579	1.4
82.07397	1.6
83.08617	1.1
83.72404	0.7
87.08103	14.2
91.05472	1.1
93.07033	1.9
94.06548	2.3
94.07384	0.7
95.08607	3.7
96.08920	2.7
96.41137	0.7
98.21535	1.4
105.07016	1.3
106.06579	1.4
107.07364	1.6
107.08624	1.2
108.08100	1.9
109.06493	0.8
109.10161	1.4
110.10496	1.8
113.09618	1.2
118.06561	1.4
119.07330	1.1
120.08115	3.8
121.10123	1.4
122.09652	1.8
122.10480	0.9
123.11681	1.0
124.11184	1.4
132.08084	4.9
133.08870	1.3
133.10106	0.8
134.09630	4.1
136.07588	5.6
143.96318	0.7
146.09673	1.8
148.07535	1.0
148.11183	5.3
150.09151	3.7
150.12756	4.0
151.09956	1.1
160.07590	1.2
160.11203	2.5
161.12115	0.8
162.12740	4.3
164.10715	8.8
176.14326	7.4
178.12274	21.9
190.12236	0.9
190.15820	0.7
192.10287	0.9
193.14609	5.4
194.15390	4.7
204.13867	2.2
204.17462	3.4
206.11748	8.3
218.15355	1.0
221.13954	0.9
236.20078	26.5
237.20253	0.9
246.22948	0.9
264.19595	100.0
264.24075	4.2
265.19873	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.6
55.01874	2.2
55.05502	0.6
57.03426	1.3
58.84745	0.5
67.05496	2.4
69.03434	1.3
69.07065	9.3
69.07417	1.0
71.01351	1.7
71.58773	0.8
73.02917	1.1
76.03190	0.5
79.05492	11.7
81.07037	1.1
83.04951	0.8
85.02871	0.5
89.02396	0.8
91.05479	15.6
93.07030	0.7
95.04970	1.9
97.02893	0.7
97.06528	100.0
98.06883	1.3
103.05450	0.6
105.04508	0.6
105.07053	0.7
107.04938	1.2
107.08584	0.8
109.06501	1.5
117.07005	1.3
119.01938	1.3
119.04939	8.4
119.08604	0.6
121.02883	0.8
121.06513	1.4
123.04436	1.1
123.38537	0.5
131.01959	0.7
133.06483	1.8
135.04396	1.8
135.08055	1.5
136.08392	0.7
137.05974	65.4
138.06229	0.9
145.03444	1.6
145.06497	1.0
147.01422	1.1
147.04387	6.7
149.05988	1.9
150.02646	0.9
153.01965	0.5
159.08063	0.6
161.06000	0.7
161.09590	1.9
163.07503	2.1
166.07274	1.1
167.02664	0.9
167.05640	1.1
173.05949	0.8
181.02536	0.7
181.52699	0.6
189.09106	10.3
191.10599	0.6
205.12242	0.9
215.10692	4.0
216.10893	0.6
233.11717	52.9
234.12096	1.2
247.13287	5.2
257.04352	1.0
264.15945	38.8
265.14252	1.7
287.05557	4.6
288.05786	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
53.24755	1.0
55.01863	3.3
55.05499	1.0
57.03415	1.4
66.56095	0.8
67.05498	2.8
67.23050	0.8
69.03439	1.3
69.07068	14.8
71.04963	0.9
72.08168	1.0
72.92794	0.7
77.77375	0.8
79.05066	1.4
79.05495	16.5
81.03409	0.9
81.07048	2.1
85.11282	0.8
91.05484	19.4
91.06017	1.5
93.07007	1.7
94.06590	1.2
95.04973	2.4
97.06531	100.0
98.06866	1.2
105.07045	1.0
105.76457	0.8
107.04958	1.4
107.08576	1.1
109.06550	0.9
112.64431	0.8
119.04933	11.2
120.08088	1.5
131.04973	0.9
133.06497	1.8
135.04407	2.1
136.08472	0.9
137.05975	77.2
147.04405	7.4
149.06010	2.0
159.08092	1.4
163.07526	1.6
164.06984	1.5
166.07156	2.0
173.06081	1.1
175.07605	1.2
177.09088	1.8
178.08609	6.2
189.09100	11.9
192.10185	1.9
199.35806	0.8
200.65717	0.8
204.10985	0.9
205.12308	1.4
214.54668	0.9
215.10735	2.6
218.11839	2.0
233.11725	83.1
234.12096	1.4
246.15076	1.0
247.13246	1.2
264.10022	1.2
264.15967	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	264.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88632	1.0
56.96566	100.0
57.84921	0.9
60.04517	0.8
70.80208	2.8
71.95264	2.3
72.96050	2.7
74.02435	3.7
74.97611	1.9
83.97650	2.3
89.60241	0.9
91.05488	1.6
98.97582	9.7
112.42731	1.1
116.98631	7.6
118.06515	2.3
120.01860	1.0
120.08088	2.0
132.08089	1.4
134.05978	1.4
134.99669	6.9
144.96873	1.3
153.00655	1.3
159.09158	2.1
160.07535	1.2
162.97847	1.1
165.02269	1.0
167.03836	2.0
173.10748	1.5
176.03851	13.4
177.02248	1.6
178.05386	14.5
181.01651	2.3
183.03348	4.5
187.02812	1.1
191.11835	1.0
192.03429	1.5
194.04915	9.7
196.06474	14.5
200.11842	1.3
201.04350	8.3
204.03322	4.8
208.02792	4.4
218.12953	3.2
219.05286	1.2
219.98634	1.2
222.04379	67.5
226.03954	5.3
240.05435	68.5
245.06020	3.3
263.07016	2.3
264.05359	10.7
264.13498	3.9
282.06573	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88483	2.5
55.05516	16.8
57.03428	2.8
57.07077	14.1
67.05504	81.9
69.07066	17.1
71.08635	8.1
77.63741	2.6
79.05495	21.2
81.07055	100.0
83.08601	16.2
85.06554	8.2
91.05483	20.5
93.07053	23.4
95.04987	4.3
95.08605	88.3
97.06541	10.4
97.10201	5.2
99.08091	6.1
102.00135	2.9
104.99281	3.9
105.07021	16.0
107.08598	16.2
109.10154	50.6
109.10840	5.1
111.08089	3.5
113.09644	2.9
119.08574	10.2
121.10133	15.2
123.08076	4.8
123.11726	16.1
133.10144	19.7
135.11665	7.8
137.09642	4.2
137.13335	5.1
141.12766	2.9
147.11682	13.4
149.13239	8.0
151.14821	8.7
161.13275	11.7
163.14842	7.2
165.16368	6.7
175.14851	5.9
189.16263	3.2
245.22684	24.9
247.11749	5.7
252.61659	2.9
263.14648	11.3
263.23654	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.3
55.05510	19.2
57.07077	14.2
57.44360	1.5
65.03953	2.9
67.05505	90.7
69.06714	2.2
69.07066	19.2
69.33955	4.4
69.34361	11.8
71.04986	1.6
71.08627	8.4
79.05492	28.3
81.07060	100.0
81.72648	1.4
83.04964	2.0
83.08616	13.6
85.06542	3.7
85.10215	1.8
91.05483	20.0
93.07044	24.6
95.04944	4.2
95.08609	92.4
97.06532	13.0
97.10172	6.8
99.08055	4.6
104.99258	3.4
105.07024	13.1
107.08578	15.0
109.06493	4.4
109.10159	44.4
111.08064	5.8
113.09615	2.8
119.08588	14.0
121.10139	16.8
123.08067	5.2
123.11720	16.5
133.10135	17.2
135.11707	9.6
137.09618	4.9
137.13261	8.6
147.11728	8.5
149.13260	7.7
151.14835	10.8
161.13297	10.4
163.14767	9.0
165.16374	6.9
170.48164	1.6
175.14801	4.6
179.17946	2.8
189.16406	3.8
203.12735	1.9
204.13390	3.2
207.08513	2.4
217.19379	2.2
233.09950	2.1
245.22672	25.0
247.11632	9.0
248.12451	7.8
263.14725	56.0
263.23700	68.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03928	4.1
55.01862	1.7
55.05507	19.5
57.03421	1.8
57.07081	16.5
65.03925	3.7
67.05505	94.6
69.03449	1.8
69.07069	22.1
70.01128	7.1
71.04984	1.6
71.08628	8.4
79.05490	27.8
81.03403	5.5
81.07059	100.0
83.04984	3.2
83.08612	13.1
85.06528	5.0
85.10181	3.3
91.05480	26.2
93.07043	28.1
95.04980	7.7
95.08606	93.9
97.06525	16.5
97.10175	7.3
99.08070	6.4
104.99255	3.9
105.07021	17.0
107.08591	15.3
109.06503	3.1
109.10157	41.0
111.08064	6.3
113.09624	1.9
119.07957	1.3
119.08588	14.3
121.10143	16.7
123.08060	7.1
123.11693	15.8
133.10130	18.4
135.11703	8.8
137.09587	8.0
137.13245	7.7
147.11659	10.0
149.13222	7.7
151.11191	2.5
151.14833	11.8
161.13271	6.8
163.14790	6.9
165.16412	6.2
175.14833	5.6
179.17888	2.0
189.16403	3.7
219.20932	1.9
245.22650	22.0
248.12300	1.5
263.14590	8.4
263.23709	77.8
264.23996	3.5
271.92053	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
52.22429	1.5
55.05507	15.9
56.96538	1.9
57.03417	2.8
57.07077	11.6
65.03921	2.3
67.05504	85.3
69.07067	13.3
69.36189	2.5
69.36597	12.1
71.04972	2.7
71.08612	5.5
79.05495	24.9
81.07055	100.0
83.04933	2.0
83.08613	14.0
85.06541	2.2
85.10166	3.7
90.29735	1.4
91.05478	17.4
93.07039	26.5
95.04963	3.7
95.08604	84.8
97.06520	6.3
97.10176	8.0
98.21427	3.4
99.08083	6.6
103.52467	1.3
104.99282	2.5
105.07032	13.5
107.08609	12.2
109.06532	2.0
109.10155	44.5
111.08073	5.3
113.09591	2.9
119.08585	10.0
121.10139	18.3
123.08038	3.1
123.11716	18.3
127.11183	3.4
133.10132	15.3
135.11682	11.4
137.09599	3.2
137.13286	8.2
147.11678	10.5
149.13243	6.5
151.11142	3.3
151.14761	7.0
161.13254	8.6
163.14813	6.5
165.16399	8.8
175.14799	6.2
177.16351	2.1
179.17923	2.5
189.16447	3.6
203.17989	2.1
217.07507	2.3
245.22682	25.8
263.20172	2.6
263.23697	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	263.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78664	1.7
55.05511	16.7
56.31727	1.6
56.39839	1.5
57.07074	12.8
67.05505	85.9
69.07057	14.7
69.24596	16.0
69.25018	6.9
71.08615	5.8
79.05486	23.9
81.07056	100.0
83.04963	2.7
83.08610	11.7
83.35329	1.7
84.79697	1.9
85.06538	4.7
85.10189	2.2
87.45166	1.7
88.35223	1.8
91.05469	18.5
93.07041	20.8
95.04933	2.2
95.08605	76.9
97.06532	9.5
97.10171	4.1
99.08093	3.8
105.07037	13.1
107.08589	14.4
108.12000	1.7
109.10150	40.3
111.08081	4.6
119.08578	13.7
121.10159	13.6
121.57181	2.0
123.08037	3.1
123.11698	17.5
133.10149	13.1
135.11708	10.9
137.13225	8.0
147.11644	7.6
149.13225	7.1
151.14824	5.9
161.13252	8.2
163.14775	5.9
165.16376	8.9
175.14825	7.7
177.16339	2.2
179.17928	1.9
245.22635	25.0
263.23709	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
50.40020	1.8
53.03930	2.3
55.05503	16.4
57.03433	3.7
57.07070	11.5
61.89901	2.0
65.03946	2.2
67.05504	83.7
69.07066	15.3
70.72392	5.4
71.04972	1.8
71.08609	6.9
77.40310	1.7
79.05485	21.2
81.07052	100.0
83.08601	13.8
85.06527	5.5
85.10144	3.2
91.05487	16.9
93.07034	23.3
95.08604	77.8
97.06500	5.6
97.10162	4.3
99.08092	6.0
105.07032	9.0
107.08578	10.7
109.10146	40.3
111.08118	3.7
113.09570	2.7
119.08577	12.8
121.10152	10.9
123.08050	2.3
123.11681	15.8
133.10132	14.1
135.11697	6.7
137.09596	2.3
137.13235	8.5
138.09947	1.7
147.11667	8.2
149.13228	7.1
151.14836	5.7
155.14172	2.3
158.26657	1.7
161.13269	7.1
163.14803	6.4
165.16351	6.5
175.14792	5.2
179.17912	2.9
189.16362	3.3
221.53799	1.8
245.22655	26.7
263.19324	2.1
263.23700	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.6
55.05508	20.6
55.81985	1.6
57.03431	1.9
57.07084	11.9
65.03926	3.6
65.53260	1.5
67.05502	84.2
69.07071	21.1
71.04935	1.8
71.08627	7.9
71.59175	2.4
79.05491	27.2
81.03400	4.6
81.07052	100.0
82.21175	1.8
83.04943	2.6
83.08620	15.2
85.10152	1.7
91.05468	20.7
93.07040	25.8
95.04941	6.6
95.08603	92.1
96.08943	1.9
97.06508	11.4
97.10160	5.4
99.08086	3.5
104.99277	2.5
105.07034	13.7
106.29676	1.5
107.08575	12.9
109.06500	3.7
109.10153	38.2
111.08038	9.5
111.11768	1.9
113.09647	1.7
119.08586	14.9
121.10130	12.5
123.08054	6.7
123.11698	11.8
133.10120	14.2
135.11723	7.6
137.09599	6.5
137.13251	7.4
147.11658	8.5
149.13268	7.8
151.11142	3.3
151.14796	10.9
161.13235	7.6
163.14824	6.0
165.16371	5.7
170.82658	1.5
175.14795	5.4
189.16342	4.1
210.53613	1.8
245.22668	16.9
263.14618	5.8
263.23697	78.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.0
54.09008	1.2
54.15612	1.1
55.01859	1.3
55.05511	17.9
55.92179	1.3
65.03922	1.8
67.05167	2.2
67.05502	26.8
69.07069	13.4
69.31956	11.6
69.32364	2.3
71.04991	1.5
79.05495	71.5
80.05829	1.4
81.06587	1.7
81.07056	38.3
83.08633	10.3
91.05482	27.5
93.07042	100.0
95.04984	12.6
95.08607	30.8
97.06517	1.5
97.10137	4.6
98.21569	2.2
104.99258	3.3
105.04530	1.5
105.07034	20.6
107.08593	61.5
107.95715	1.4
109.06511	5.4
109.10149	10.3
117.06966	1.9
119.08582	14.6
121.10146	61.5
123.04469	1.2
123.08099	1.2
125.09599	1.6
129.07019	1.7
131.08554	4.8
133.10114	11.5
135.08058	2.7
135.11696	41.6
143.08557	1.7
145.10120	4.0
147.11652	8.6
148.43449	1.3
149.09613	2.4
149.13252	14.7
157.10121	3.1
159.11632	2.2
161.09503	1.8
161.13249	4.4
163.11177	2.2
163.14796	2.2
167.10565	1.4
171.11668	2.2
185.13219	1.5
189.12711	2.2
199.14824	3.8
207.13817	3.5
217.15866	1.7
221.15315	2.2
227.17902	1.3
245.19084	4.5
263.17276	1.8
263.20059	50.3
263.25900	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2006
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03946	6.0
54.09008	1.2
54.15612	1.1
55.01859	1.3
55.05511	17.9
55.92179	1.3
65.03922	1.8
67.05167	2.2
67.05502	26.8
69.07069	13.4
69.31956	11.6
69.32364	2.3
71.04991	1.5
79.05495	71.5
80.05829	1.4
81.06587	1.7
81.07056	38.3
83.08633	10.3
91.05482	27.5
93.07042	100.0
95.04984	12.6
95.08607	30.8
97.06517	1.5
97.10137	4.6
98.21569	2.2
104.99258	3.3
105.04530	1.5
105.07034	20.6
107.08593	61.5
107.95715	1.4
109.06511	5.4
109.10149	10.3
117.06966	1.9
119.08582	14.6
121.10146	61.5
123.04469	1.2
123.08099	1.2
125.09599	1.6
129.07019	1.7
131.08554	4.8
133.10114	11.5
135.08058	2.7
135.11696	41.6
143.08557	1.7
145.10120	4.0
147.11652	8.6
148.43449	1.3
149.09613	2.4
149.13252	14.7
157.10121	3.1
159.11632	2.2
161.09503	1.8
161.13249	4.4
163.11177	2.2
163.14796	2.2
167.10565	1.4
171.11668	2.2
185.13219	1.5
189.12711	2.2
199.14824	3.8
207.13817	3.5
217.15866	1.7
221.15315	2.2
227.17902	1.3
245.19084	4.5
263.17276	1.8
263.20059	50.3
263.25900	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1279
Annotation	Dihydrosterepolide
Peak:m/z	Relative Intensity
55.01867	9.9
55.05507	11.6
56.96560	14.6
57.07071	5.9
67.04893	5.3
67.05505	28.8
69.03439	36.6
69.07066	7.3
70.06618	6.2
71.58054	8.5
71.58536	6.8
79.05501	24.6
81.07062	34.3
83.04988	12.1
83.08623	6.5
91.05476	23.2
93.07046	26.5
95.01346	17.6
95.04971	20.6
95.08607	20.8
97.06515	16.8
98.97590	9.1
105.03407	6.4
105.07059	33.2
107.08612	37.1
109.02881	12.8
109.06511	12.5
109.10175	18.6
111.04485	7.9
113.02414	7.8
115.05515	12.9
116.98619	8.6
117.06997	12.1
119.04936	6.2
119.08578	31.8
121.06506	12.9
121.10157	10.1
123.04442	10.9
123.08082	8.6
129.07011	15.9
131.08559	15.2
133.06480	16.9
133.10150	12.7
134.99692	9.7
135.08061	100.0
137.05913	10.8
137.09634	24.6
141.07027	8.2
142.07791	8.3
143.08534	11.2
145.06497	11.8
145.10150	6.1
147.08072	11.8
151.03888	14.2
153.05489	10.3
156.09343	9.7
157.10107	12.2
159.11676	8.6
161.05971	14.1
161.09653	8.0
171.11722	7.7
172.08911	6.1
173.06053	6.7
175.07573	12.4
175.11209	7.5
177.00726	6.7
179.03424	18.5
179.07039	11.0
185.09645	8.3
187.11183	25.4
189.05469	8.2
199.11163	20.6
201.20421	9.9
203.10629	38.1
205.08484	8.0
215.10768	10.9
217.12242	18.1
227.10603	20.3
228.25519	6.5
233.11693	11.6
245.11761	41.2
263.12778	35.0
263.20139	7.5
263.24008	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	263.1277
Annotation	Carmenin
Peak:m/z	Relative Intensity
55.01867	2.9
55.05503	5.1
65.60831	2.4
67.05486	10.8
68.99790	4.2
69.03412	11.5
69.07059	2.9
70.06581	2.8
71.57854	2.5
71.58237	4.3
72.94456	2.8
79.05474	10.4
81.07055	16.3
83.04975	23.8
85.02901	16.8
86.31740	2.7
87.00710	3.0
91.05465	15.4
93.07035	10.9
95.04948	9.9
95.08586	6.1
97.02872	6.5
97.06528	5.3
104.03331	3.4
105.07036	24.8
107.04952	3.9
107.08579	19.9
109.02876	3.9
109.06509	9.2
109.10146	7.0
111.04410	4.8
113.02372	37.8
115.05492	6.5
117.07014	7.8
119.04911	4.6
119.08560	14.1
121.06477	10.3
121.10110	3.0
123.04411	8.9
123.08048	8.2
123.11676	6.5
129.07010	8.6
131.08559	7.4
133.06499	17.2
133.10103	8.0
135.04335	3.5
135.08063	39.7
137.05948	5.5
141.07010	5.4
142.07761	5.3
143.08525	9.3
145.06496	7.0
145.10153	6.2
147.08047	9.4
147.11639	9.8
149.09570	12.1
151.07462	3.8
151.11180	18.9
156.09319	14.4
157.10089	12.1
159.08075	7.4
159.11635	4.9
160.08865	5.0
161.05975	23.5
161.09605	6.4
161.13300	4.0
163.07538	5.5
165.06868	3.4
166.07730	3.8
169.06458	3.8
171.04292	2.6
171.08006	3.9
171.11649	16.3
172.08873	3.3
173.09619	7.2
173.13301	4.0
175.07539	13.1
175.11172	27.0
177.12732	5.3
178.07124	2.9
179.03369	3.0
179.06999	7.3
181.10091	5.5
184.08846	7.4
185.09605	4.3
187.07501	6.3
187.11195	11.9
188.08246	5.6
189.05489	9.4
189.09009	3.3
189.12761	12.7
193.08615	6.4
199.03888	3.8
199.11179	39.8
202.07884	2.6
202.09886	8.0
203.08739	5.1
203.10666	32.0
207.06482	4.7
209.09656	5.5
212.08391	8.4
215.10603	2.9
217.12209	33.7
227.10620	41.3
231.08109	4.2
233.11745	3.5
235.13309	2.7
245.11714	86.4
247.11787	2.8
248.08301	3.2
263.05328	3.9
263.10690	4.6
263.12772	100.0
265.77585	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1276
Annotation	Picridin
Peak:m/z	Relative Intensity
50.08796	3.0
53.03944	5.2
55.01841	3.1
64.83498	2.7
67.05505	7.7
69.03431	10.1
69.43330	2.6
69.62939	22.3
71.04993	3.7
79.05470	9.0
81.03412	5.0
81.07056	5.9
91.05467	15.2
93.07054	7.8
95.04981	11.6
95.08608	4.3
97.02905	4.2
97.06527	16.8
105.07026	15.2
107.08617	10.1
109.02882	13.1
109.06534	9.1
111.04447	10.0
111.08112	2.6
113.02372	5.5
113.06021	7.6
115.05496	3.3
117.07027	7.8
119.04986	3.3
119.08591	12.6
121.06494	6.8
123.04449	9.4
123.08102	4.0
123.54825	3.7
128.06244	10.3
129.07048	8.4
131.08580	6.4
133.06514	7.1
133.10139	6.0
135.04413	4.5
135.08052	100.0
137.06001	4.4
141.06990	6.1
142.07784	8.1
143.08578	12.4
145.06459	6.8
145.10155	6.1
147.08067	13.2
148.05278	3.1
149.02336	3.1
149.05965	4.1
149.09729	3.8
151.07652	3.0
156.09334	10.2
157.10129	4.3
158.07156	3.4
159.08041	10.0
159.11722	10.6
161.06004	8.4
161.09592	7.4
163.03931	4.8
163.07657	4.0
165.06911	3.0
166.07855	4.0
167.63051	2.9
171.08083	9.1
171.11766	8.3
172.08781	6.6
173.09622	9.6
174.06810	4.0
175.07556	13.9
175.11198	6.5
177.09116	2.7
181.04874	3.0
184.08925	3.7
185.09708	5.9
187.11162	28.3
189.09109	16.5
191.03435	4.0
193.04984	3.9
199.07553	9.6
199.11151	20.4
201.05420	4.0
203.07021	6.6
203.10657	29.3
212.08368	6.2
214.69736	2.7
215.10687	18.4
217.08614	20.7
217.12202	19.7
227.10689	13.7
233.11862	14.0
245.08128	28.0
245.11758	43.7
245.14059	4.6
263.09079	29.5
263.12842	9.3
265.33807	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	263.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	1.8
57.46838	0.6
58.99868	1.7
59.70194	0.7
67.07800	0.7
69.03408	1.1
69.72927	4.3
70.72047	0.6
77.00913	4.4
81.03398	0.8
82.99879	2.1
89.00900	1.3
95.01918	0.9
98.20770	1.3
98.21424	1.7
98.97586	1.5
101.00874	21.3
105.00381	1.1
109.02889	0.8
113.00881	2.0
115.02428	2.2
116.98611	0.7
119.01915	73.7
120.02020	0.8
127.00756	0.6
127.02402	0.7
127.03904	0.6
131.01021	1.2
131.01912	12.6
133.03447	3.6
137.01947	1.4
137.02946	14.0
139.02412	1.8
142.03560	1.1
143.01898	27.0
143.03030	1.4
144.01990	0.7
145.03461	10.7
147.05022	1.4
147.77888	0.7
149.02925	2.1
154.68098	0.7
155.01921	3.0
157.03467	16.0
159.01428	2.1
161.02951	100.0
162.03133	1.3
163.02806	0.6
163.04526	2.8
168.03769	1.1
169.03442	0.8
171.05045	1.2
173.02956	9.7
175.04518	8.8
176.03262	0.7
177.02441	1.1
179.04007	4.3
182.03471	1.1
184.04565	3.9
185.02936	5.9
187.04489	2.6
191.04013	6.8
194.19312	0.8
197.04037	1.3
203.04004	17.1
221.05077	10.2
222.13904	0.7
239.06099	7.8
245.05052	1.5
263.06088	67.0
264.06223	2.0
281.07178	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	263.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	1.8
57.46838	0.6
58.99868	1.7
59.70194	0.7
67.07800	0.7
69.03408	1.1
69.72927	4.3
70.72047	0.6
77.00913	4.4
81.03398	0.8
82.99879	2.1
89.00900	1.3
95.01918	0.9
98.20770	1.3
98.21424	1.7
98.97586	1.5
101.00874	21.3
105.00381	1.1
109.02889	0.8
113.00881	2.0
115.02428	2.2
116.98611	0.7
119.01915	73.7
120.02020	0.8
127.00756	0.6
127.02402	0.7
127.03904	0.6
131.01021	1.2
131.01912	12.6
133.03447	3.6
137.01947	1.4
137.02946	14.0
139.02412	1.8
142.03560	1.1
143.01898	27.0
143.03030	1.4
144.01990	0.7
145.03461	10.7
147.05022	1.4
147.77888	0.7
149.02925	2.1
154.68098	0.7
155.01921	3.0
157.03467	16.0
159.01428	2.1
161.02951	100.0
162.03133	1.3
163.02806	0.6
163.04526	2.8
168.03769	1.1
169.03442	0.8
171.05045	1.2
173.02956	9.7
175.04518	8.8
176.03262	0.7
177.02441	1.1
179.04007	4.3
182.03471	1.1
184.04565	3.9
185.02936	5.9
187.04489	2.6
191.04013	6.8
194.19312	0.8
197.04037	1.3
203.04004	17.1
221.05077	10.2
222.13904	0.7
239.06099	7.8
245.05052	1.5
263.06088	67.0
264.06223	2.0
281.07178	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	263.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09848	0.5
56.05028	1.0
57.03459	0.6
58.99883	0.5
61.02930	0.8
69.03429	1.2
71.47525	1.4
72.04523	1.1
73.02890	0.9
74.06081	1.9
77.00900	0.7
81.03423	0.9
82.99863	1.6
83.26476	0.5
85.02897	0.9
89.78413	0.6
97.02892	1.2
101.00881	14.5
102.06666	0.8
105.00371	0.7
112.05091	4.7
113.00854	3.1
113.05865	1.3
115.02433	0.7
119.01925	53.1
120.02013	1.5
130.06160	1.0
131.01907	23.7
133.03444	3.0
137.02971	9.0
142.03482	0.9
143.01900	27.8
145.03459	5.5
149.02914	3.8
151.04419	0.7
154.03485	0.9
155.01901	9.0
157.03456	5.2
161.02959	100.0
162.03065	2.9
173.02971	25.8
174.77654	0.6
175.04512	3.4
179.04044	4.7
184.04541	3.5
185.02928	3.8
187.04474	0.7
191.04018	20.5
196.04510	0.8
197.02948	0.9
197.26421	0.6
199.04895	0.6
203.04019	14.2
209.05048	0.7
210.62273	0.6
214.05598	1.0
215.03888	1.2
221.05104	5.7
233.05087	1.9
239.06117	2.3
242.88199	0.6
245.05023	1.5
263.01556	1.2
263.06122	23.3
281.07214	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	263.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16767	5.8
60.23717	5.3
66.34872	5.3
71.43261	12.5
79.20858	5.8
82.99828	6.2
84.68963	6.1
91.64143	6.1
101.00872	22.1
102.72829	5.4
109.17764	5.7
119.01910	65.0
131.01912	27.9
137.02956	8.5
143.01889	36.9
145.03419	15.3
154.54921	6.0
155.01913	10.9
161.02963	100.0
173.02945	27.1
185.03082	8.8
191.04047	16.0
203.04036	16.5
221.05045	9.2
263.01642	6.4
263.06107	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	262.1802
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
55.05496	0.8
57.07067	0.6
67.05489	0.9
70.06582	0.8
70.07500	2.3
70.07877	1.0
78.35645	0.5
81.07061	1.2
87.04465	31.1
91.05458	1.3
93.07023	0.6
95.04970	0.5
95.08604	1.3
105.07021	1.3
107.04954	0.7
107.08566	1.1
107.13446	0.5
110.73268	0.5
117.07029	0.6
118.06536	17.8
118.07360	1.0
120.08125	0.5
124.12093	0.5
132.08081	4.1
132.10178	0.5
133.08864	1.8
134.09634	0.6
146.09619	4.4
176.14345	84.0
177.14648	2.8
181.58684	0.5
204.10310	0.7
216.12154	0.7
233.08394	0.7
244.11798	0.6
262.18018	100.0
263.18362	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1802
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
57.07073	1.7
58.06589	0.4
69.03410	0.6
69.07056	0.4
70.06594	3.2
70.38165	1.3
71.08633	0.7
82.25533	0.3
87.04467	34.1
88.07636	3.4
91.05453	0.7
99.07384	0.4
105.07058	0.5
106.08646	0.8
107.08605	0.4
114.09164	1.8
118.06541	15.3
119.08564	1.4
120.08137	0.5
132.08096	6.0
132.09073	0.5
132.09267	0.5
132.10197	4.9
133.08900	2.2
134.09647	1.1
146.09637	4.3
147.10435	0.6
147.11620	0.4
150.11238	4.3
156.64755	0.4
176.14348	81.8
176.80107	0.4
177.14670	1.6
186.18472	0.4
216.10991	0.3
218.21114	1.6
244.09676	1.2
262.18018	100.0
262.23770	19.7
263.18347	1.8
278.63666	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03925	5.9
55.05506	15.8
57.03419	4.3
57.07055	9.5
64.21809	4.1
67.05502	58.8
69.07076	30.4
70.67997	11.6
79.05489	69.5
81.07059	75.8
83.08613	6.0
85.06544	7.0
91.05482	36.8
93.07047	100.0
95.04954	8.8
95.08601	46.7
95.70598	4.0
97.10155	5.0
98.20819	4.3
105.06999	23.8
107.08594	64.2
109.10147	18.2
117.07010	10.6
119.08581	22.6
121.10138	56.6
123.11726	5.4
124.48174	4.0
131.08553	13.4
133.10143	21.9
135.11678	36.3
144.55113	4.1
145.10143	17.4
147.11694	19.1
149.09602	4.0
149.13275	25.1
159.11725	21.1
161.13225	16.7
163.14835	21.0
163.84312	4.7
173.13269	13.4
175.14824	10.0
177.16403	6.9
187.14780	9.9
243.21031	35.0
261.19244	6.6
261.22141	88.9
262.14365	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	261.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.8
55.01862	3.5
55.05508	20.4
57.07059	6.0
59.22380	2.1
65.03940	3.2
67.05505	56.9
69.07068	21.4
70.11588	7.9
70.78165	1.9
71.04990	2.4
71.08618	3.0
71.69547	1.9
72.75763	1.8
75.86599	2.1
79.05492	70.6
81.07054	59.9
83.04984	3.0
83.08606	8.7
85.06532	4.8
91.05476	50.2
93.07042	96.4
95.04950	7.3
95.08611	47.7
97.06519	9.6
97.10150	6.4
99.08099	4.2
105.06397	2.7
105.07039	33.9
107.08594	55.3
109.06499	4.6
109.10156	19.2
111.08037	3.0
117.06988	11.0
119.08574	24.5
121.10140	49.3
123.08083	2.6
123.11696	7.7
131.08542	29.4
133.10153	21.5
135.11691	38.9
135.12679	2.8
137.09549	2.4
145.10120	25.6
147.11690	17.2
149.09668	2.8
149.13283	27.6
151.03775	2.2
151.14845	2.3
159.11719	22.1
161.13248	14.6
163.11205	2.8
163.14857	18.2
165.12827	2.8
169.81308	2.0
171.11638	3.3
171.13120	2.2
173.13223	14.7
175.14755	6.6
177.16373	4.9
187.14828	11.3
189.16377	3.0
201.16408	6.0
203.17906	2.8
210.81934	2.1
215.18031	4.1
217.19455	3.3
217.94714	2.0
219.17381	2.5
233.22539	2.8
243.21106	53.8
261.03738	2.6
261.22137	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.5
53.03953	3.6
55.01862	4.9
55.05272	1.7
55.05513	25.0
57.07068	6.4
59.05006	1.7
65.03926	2.7
65.68277	1.4
67.05505	64.1
68.93519	1.3
69.07068	15.1
69.70356	11.1
71.04984	4.8
71.08618	4.4
77.03915	1.7
79.05493	92.1
81.07059	63.6
83.04968	3.7
83.08623	12.0
85.06524	4.8
85.10185	1.8
91.05480	55.5
93.07043	100.0
95.04967	11.5
95.08608	47.8
95.14263	1.4
97.06519	5.9
97.10174	4.4
99.08097	4.5
100.11607	1.4
103.05453	1.8
105.04469	1.4
105.07032	40.7
106.34637	1.7
107.04957	11.9
107.08592	70.7
109.06503	5.4
109.10149	18.4
111.08085	4.2
113.09646	1.5
115.05457	1.6
115.37392	1.3
117.07011	16.6
119.08577	32.0
121.06496	1.8
121.10146	46.5
123.04479	2.3
123.08028	2.2
123.11671	3.9
125.09642	2.6
129.06976	3.0
131.08559	26.3
133.10126	28.4
135.08057	28.5
135.11691	33.4
137.09590	1.9
137.13223	2.3
143.08524	2.7
145.10121	26.4
147.11679	19.2
149.09657	3.5
149.13263	24.1
151.03918	3.2
159.11696	15.5
161.13245	14.7
163.14835	18.0
173.13258	10.2
175.14798	4.1
177.12820	1.7
177.16382	5.3
187.14824	4.9
201.16368	6.3
203.17897	1.7
215.17917	6.1
219.17468	1.7
225.16234	1.5
233.22583	2.6
243.17387	4.7
243.21097	33.2
261.04083	1.7
261.07574	1.8
261.12991	1.9
261.18542	30.3
261.22144	74.6
262.14386	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.0
55.05509	18.7
57.07058	6.0
59.00168	2.6
63.17986	2.7
63.48592	2.7
65.03931	3.1
67.05177	4.4
67.05504	61.8
68.55929	2.2
69.07071	17.0
69.42337	5.7
69.42741	21.7
71.04984	5.1
79.05497	83.6
81.07052	62.6
83.08617	9.0
85.06534	4.4
91.05473	42.4
93.07042	100.0
95.04946	11.6
95.08608	51.2
97.06521	2.8
97.10135	4.2
99.08063	5.5
105.07025	25.7
107.08595	69.5
109.06480	4.1
109.10144	19.2
109.60501	2.2
111.08048	4.7
117.06997	11.9
119.08582	23.5
120.81309	2.5
121.10152	57.6
123.08113	3.0
123.11702	7.2
131.08595	20.7
133.10146	14.1
135.11697	36.4
137.09648	3.9
145.10126	22.4
147.11670	12.9
149.09662	3.1
149.13249	29.6
159.11705	17.3
161.13274	13.3
163.14792	23.5
173.13240	12.8
175.14877	6.1
177.16399	7.0
187.14813	9.8
201.16389	2.9
243.21094	35.6
261.22134	96.8
262.14328	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	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
50.85041	1.2
53.03927	4.4
55.05507	18.5
57.03418	1.8
57.07060	4.7
65.03939	2.4
67.05502	58.0
69.06734	1.4
69.07067	17.1
71.04977	3.8
71.08627	1.4
77.03876	1.3
79.05490	69.4
81.07054	64.1
83.08629	11.1
85.06528	4.9
85.10135	1.2
91.05477	39.4
93.07040	100.0
95.04984	7.6
95.07981	2.6
95.08601	46.8
97.06509	5.2
97.10162	4.8
99.08089	7.1
105.07025	25.3
107.08592	67.8
109.06488	3.9
109.10160	18.5
111.08060	5.5
113.09631	2.4
117.07011	8.6
119.08582	19.6
121.10135	52.9
123.11687	6.1
131.08566	18.9
133.10127	19.0
135.11684	45.7
137.13257	2.0
145.10106	20.6
147.11682	15.8
149.13254	32.1
151.11180	1.6
159.11662	11.6
161.13229	16.0
162.60733	1.3
163.14815	18.6
173.13251	13.3
175.14825	5.1
177.16403	4.5
179.14328	2.2
187.14833	8.6
189.16393	1.7
201.16379	3.9
215.17947	2.5
229.17067	1.9
233.22610	2.0
243.21095	32.6
261.22125	82.4
283.27231	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2211
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03928	3.1
55.05258	1.7
55.05505	17.7
57.03415	1.9
57.07056	4.6
62.73645	1.2
65.03936	2.9
67.05502	48.2
69.07063	13.5
70.72160	3.3
71.04984	2.1
76.18629	1.1
77.32702	1.1
79.05489	69.6
81.07053	62.7
83.04995	2.1
83.08613	10.6
85.06532	4.2
91.04896	1.6
91.05472	32.7
93.07041	93.7
95.04980	7.0
95.08604	42.5
97.06499	5.4
97.10146	4.6
99.08075	4.5
102.62444	1.4
105.06387	1.8
105.07031	22.0
107.08593	58.0
109.06523	2.7
109.10145	17.5
111.08057	4.7
113.09633	2.4
114.28555	1.3
117.06989	8.7
119.07816	1.5
119.08578	19.5
121.10138	50.7
121.73473	1.3
123.08027	1.8
123.11689	6.6
125.09560	1.4
131.08546	18.3
133.10136	15.9
135.11685	48.3
137.09581	3.1
145.10100	19.0
147.11659	15.1
149.09653	1.3
149.13254	36.2
151.11133	1.4
159.11688	13.1
161.13252	16.0
163.14828	22.8
165.12764	3.1
173.13243	11.0
175.14825	8.5
177.16351	6.1
179.14281	2.3
187.14809	8.9
189.16298	1.5
201.16345	4.5
215.17921	2.9
217.19519	1.2
233.22659	1.6
243.21071	40.6
244.21530	1.3
261.22125	100.0
262.22379	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	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03933	4.6
55.01856	1.1
55.05507	16.6
56.17875	1.2
57.03403	1.5
57.07066	6.5
65.03928	2.6
67.05502	51.3
69.07070	13.4
69.86870	1.1
70.00322	6.2
71.04984	2.8
71.08608	3.4
79.05492	77.0
81.07054	59.6
81.60455	1.1
83.04966	2.5
83.08619	8.3
85.06538	3.2
85.10178	1.4
91.05477	41.4
93.07041	100.0
95.04957	11.1
95.08598	36.3
97.06516	4.3
97.10167	1.9
99.08075	4.7
105.04514	1.2
105.07024	21.8
107.04993	1.3
107.08594	57.1
109.06491	3.9
109.10146	14.4
111.08073	1.9
113.09601	2.2
115.05392	1.1
117.07023	10.0
119.08574	19.2
121.10142	44.0
123.08115	1.8
123.11683	4.0
129.06989	1.6
131.08563	19.9
133.10121	12.0
135.08017	1.7
135.11684	32.5
137.09619	2.7
137.13211	2.2
143.08574	1.0
145.10115	18.3
147.11681	10.7
149.09618	3.7
149.13252	23.0
151.03918	1.5
151.14902	1.2
157.22705	1.1
159.11679	11.3
161.13234	10.9
163.11176	1.6
163.14804	18.0
165.12750	1.2
173.13254	11.3
175.14809	3.9
177.16386	7.2
179.14285	1.4
187.14795	6.2
201.16385	3.0
215.18039	2.0
233.22598	2.7
243.17337	1.2
243.21066	26.4
261.22131	75.6
262.22302	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96931	1.4
53.03930	4.4
55.01885	1.5
55.05507	17.5
55.66331	1.4
56.84652	1.7
57.03415	2.6
57.07070	4.2
62.92775	1.5
65.03925	2.4
67.05501	54.8
69.07058	14.5
71.04962	2.4
71.08607	2.6
79.05493	75.7
79.05965	3.7
81.07054	63.8
83.04985	2.2
83.08597	10.5
85.06535	4.4
91.05478	44.3
93.07040	87.2
95.04953	6.9
95.08603	44.0
97.06516	4.5
97.10146	5.1
99.08073	5.2
105.07024	29.6
107.07868	2.7
107.08594	55.3
109.06491	3.2
109.10155	16.6
111.08058	2.8
117.07018	13.7
119.08566	22.5
121.10137	54.3
121.74574	1.8
123.04380	2.4
123.08059	2.3
123.11674	7.1
129.06999	1.7
131.08562	22.2
133.10123	22.3
135.08044	2.2
135.11688	44.5
137.09586	3.7
137.13231	2.0
145.10107	18.0
147.11702	14.4
149.13254	31.8
158.55719	1.5
159.11667	13.3
161.13264	14.5
163.14828	21.8
166.40002	1.6
173.13290	14.3
175.14815	4.9
177.16351	7.4
179.14450	2.1
187.14847	8.4
201.16345	4.9
217.53197	2.2
228.53897	1.5
243.21077	35.8
261.03967	2.3
261.18774	4.8
261.22131	100.0
262.14380	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02383	2.2
53.03931	3.6
55.05285	1.9
55.05508	16.6
56.28013	1.8
56.96554	2.9
57.07063	4.7
57.40127	1.8
59.30150	2.1
65.03917	3.7
67.05504	54.6
69.07060	16.4
71.05000	3.1
71.32664	4.7
79.05493	63.5
81.06583	3.8
81.07048	56.7
83.08637	8.6
85.06532	4.9
91.05475	36.2
93.07039	93.9
95.04949	6.9
95.08606	41.4
97.06506	4.4
97.10170	3.7
99.08090	3.5
105.07030	23.3
107.08590	57.6
109.06480	3.6
109.10149	18.5
111.08093	4.2
113.09667	1.8
117.07022	8.7
119.08585	22.1
121.10138	55.3
123.10763	1.8
123.11665	5.6
131.08588	16.4
133.10138	15.2
135.11688	40.5
145.10123	21.0
147.11685	11.1
149.13260	30.5
159.11661	16.0
161.13245	15.3
163.14822	25.2
173.13269	11.4
175.14836	4.3
177.16417	6.6
187.14815	7.6
189.06589	2.0
201.16339	4.2
215.18181	2.2
243.21072	35.3
259.11737	1.7
261.13190	2.1
261.22125	100.0
262.14740	2.0
273.30365	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34052	1.3
55.01854	5.8
55.05262	1.8
55.05510	22.9
56.05018	3.9
56.83132	1.3
56.96555	2.1
57.07080	9.5
58.99583	17.5
61.01153	7.3
67.05482	3.3
69.07064	2.6
70.06573	4.9
70.94021	4.3
73.01144	8.3
74.00662	10.7
74.02431	1.7
76.02216	4.4
76.03986	3.8
79.05485	9.2
81.07056	31.4
82.06570	2.0
83.08620	18.8
84.04505	11.6
85.01126	10.1
86.99048	11.6
87.02659	2.2
87.04467	2.3
88.02193	7.5
88.03998	1.6
89.79302	1.4
91.05472	3.7
93.07045	3.1
94.56142	1.4
95.08607	6.5
97.02885	2.6
98.09686	5.2
98.97526	1.7
99.02673	9.6
100.11253	45.6
105.07016	3.6
107.08586	6.5
110.09694	1.8
112.03961	19.7
112.11222	13.3
115.05798	15.6
116.00899	1.9
116.01674	30.7
116.04555	2.2
116.05315	25.2
116.06078	3.0
116.98576	1.6
119.08535	2.9
121.86897	1.3
123.04419	1.7
123.08092	1.4
124.11233	7.0
130.05002	11.9
131.08501	1.6
133.10139	3.0
141.07323	18.6
144.01189	7.5
145.10153	1.8
151.03900	2.0
158.09982	100.0
158.11751	46.4
159.11624	2.3
162.02190	14.2
163.41591	1.6
186.13725	1.3
243.20979	1.8
244.07576	1.9
244.10037	37.1
261.12674	47.7
261.18457	2.8
261.22452	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	261.0582
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89470	2.0
53.17680	2.4
55.01863	3.5
56.96295	3.9
56.96563	55.8
57.03422	4.1
60.95840	4.6
61.02926	3.5
67.05496	3.5
69.03413	10.6
69.96257	11.3
70.06586	4.5
71.95264	3.0
73.02911	5.3
74.97598	2.9
77.00926	2.9
81.03371	4.0
84.08134	32.4
84.96044	2.9
85.02888	10.8
85.08469	4.4
86.06023	3.0
86.09681	11.3
97.02879	8.8
98.06071	2.9
98.97583	49.3
99.04464	2.5
100.07598	8.1
101.00869	11.9
102.96875	9.9
103.83884	2.1
110.97567	7.9
112.99147	5.0
113.00868	7.5
113.03487	4.3
115.02402	7.0
116.98617	43.1
117.03983	3.9
119.01927	30.0
120.97894	8.9
121.01749	2.6
121.03439	2.8
124.07574	2.9
127.00701	3.0
127.03883	5.2
128.98618	11.5
129.03952	3.0
130.08650	12.1
131.00150	8.1
131.01901	26.8
133.03461	25.9
134.99655	27.7
135.05016	7.0
137.02980	4.2
137.05913	3.1
137.98314	2.8
138.98911	4.2
140.98552	5.1
143.00153	5.8
143.01912	9.3
145.01704	4.7
145.03461	15.8
146.99606	12.2
147.03264	4.4
147.05052	6.9
149.01160	10.6
149.02974	4.1
149.04860	2.9
151.04565	4.0
153.00688	4.2
155.01930	13.5
156.02663	6.6
157.03484	5.9
158.99658	8.7
159.05051	15.7
161.01205	7.8
161.02939	19.5
163.04625	5.0
165.00670	4.2
165.58580	2.4
169.00974	2.3
170.99632	4.4
171.05037	21.5
171.16315	2.5
172.02930	3.2
173.01495	4.4
173.02965	22.7
173.06549	4.3
175.04555	3.8
177.00748	8.6
177.02278	2.7
177.06007	7.6
178.04906	6.2
179.02293	3.9
179.04047	2.6
185.02859	3.2
185.06523	2.8
189.00691	9.7
189.06076	19.5
191.02332	5.1
191.03879	3.0
194.94724	2.9
201.00655	8.0
201.06090	6.5
203.02335	3.2
203.03990	11.9
203.07623	8.8
206.02771	5.0
211.04538	2.6
213.05975	4.0
219.01706	16.5
219.05353	4.8
221.05034	46.8
229.03250	32.9
233.09145	2.9
237.02820	30.6
243.04791	4.1
261.02859	12.6
261.05792	77.6
261.09326	100.0
278.96768	13.9
279.00815	5.5
279.03845	8.7
279.09338	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	260.1603
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
50.22698	1.1
56.05034	6.8
56.96540	1.4
69.07052	3.4
70.06582	2.5
71.09145	2.8
72.08144	3.2
74.02437	9.4
75.02759	2.0
78.79772	1.3
79.05494	1.5
82.06591	2.0
83.06099	50.2
84.04501	73.1
84.08142	26.6
85.04836	4.0
86.09700	100.0
90.05530	1.3
98.06014	2.2
101.07130	6.3
129.06599	4.5
129.10237	3.9
130.04987	3.2
130.06526	2.8
130.08606	5.0
131.05312	2.5
131.08978	2.9
132.10193	28.3
143.11771	3.3
147.11281	4.7
151.09457	1.5
157.13361	6.9
161.09253	1.3
171.11301	1.8
182.68906	1.4
189.12306	1.8
196.14445	5.8
197.10088	2.1
197.12859	28.6
225.12398	1.6
242.14990	55.6
243.13371	22.8
260.13226	3.8
260.16022	2.3
260.19727	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	260.1604
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
52.24826	1.3
52.84783	1.3
56.05039	11.0
58.22606	1.4
61.65142	1.3
62.19161	1.5
63.65402	1.4
67.05494	1.5
69.07062	5.4
70.06577	4.0
71.56753	1.4
71.57136	2.5
72.08133	1.9
82.06585	3.7
83.06098	64.3
84.04500	87.9
84.08139	93.8
85.02888	2.9
86.09700	100.0
100.07623	10.5
101.00905	1.5
101.07145	7.3
101.10765	2.0
102.75565	1.2
105.84441	1.4
109.02882	2.3
119.01921	6.1
119.74742	1.5
121.01670	3.0
121.03541	2.1
129.06598	6.5
129.10237	14.7
130.05026	14.2
130.08638	9.6
131.01976	2.2
132.10205	27.5
141.06596	3.1
143.11774	2.0
145.03429	3.0
147.03246	3.6
147.07642	10.3
147.11284	14.7
149.02965	1.7
159.03189	2.1
161.02974	4.6
162.93092	1.5
173.02994	1.6
173.09392	1.7
186.54707	1.3
187.02745	1.6
189.00807	1.8
189.02460	3.3
196.14444	10.3
197.12857	37.2
198.11234	1.8
225.12311	3.9
242.14978	59.0
243.13365	23.5
243.17183	3.9
260.05359	2.5
260.16470	2.0
260.19690	12.8
261.05838	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	260.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.2
56.96560	8.6
57.07073	3.8
60.04510	8.5
67.05515	11.9
69.07062	8.3
70.04996	13.9
79.05503	4.4
81.07055	6.4
85.10163	3.0
88.03990	66.6
91.05498	5.0
93.07076	3.2
95.08607	60.9
97.02932	2.7
97.06521	10.4
98.97580	2.8
102.05542	100.0
105.07034	4.3
113.09653	3.8
114.59969	2.5
116.98616	3.0
119.08573	3.5
123.04438	3.9
128.07118	2.8
130.05006	3.3
131.04950	2.7
133.10123	3.8
134.10475	3.1
135.04420	2.3
143.08485	3.1
148.06044	84.3
148.07175	4.9
164.04245	4.4
177.00676	3.4
177.05522	2.6
202.16699	3.0
204.13870	4.6
213.90703	2.7
216.07416	3.5
218.05296	5.2
233.04384	3.0
238.09589	6.8
260.10052	5.1
260.20380	10.8
260.24600	3.9
261.03961	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	260.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
55.05528	0.9
56.05029	1.4
56.96566	2.4
59.57664	0.9
67.56115	0.9
68.99784	1.3
69.03433	1.6
69.29150	10.8
71.04987	3.5
72.08155	1.1
73.04042	5.3
74.02442	1.0
79.05495	2.5
84.08150	2.1
85.02898	2.4
85.04019	1.8
85.06543	11.6
86.09709	2.1
88.03990	3.6
95.04938	1.3
99.05576	23.6
100.83939	1.0
102.05531	2.8
106.06567	3.1
107.05012	1.0
111.05605	2.0
115.05041	28.6
116.98596	1.2
120.08118	2.4
121.06478	1.3
127.05032	11.2
128.04958	2.7
128.07051	1.3
128.98540	1.6
130.06525	100.0
131.04880	1.3
131.06894	3.2
132.04466	10.9
134.04492	3.8
134.06010	21.4
134.07002	1.9
139.05029	3.3
141.06645	1.2
146.06006	49.6
148.06052	2.1
151.03983	1.5
153.01900	1.5
155.05994	1.3
157.07607	43.6
158.06007	32.5
167.04503	2.2
169.07629	2.0
170.06001	2.6
173.07152	2.4
175.08682	9.4
184.13063	1.0
185.07101	5.2
187.08716	3.4
197.07201	1.7
214.09669	6.5
215.08209	1.3
225.06680	1.5
232.06969	1.4
237.02916	1.7
242.09241	86.6
243.09686	2.8
254.46205	1.0
255.03651	1.2
260.06512	1.4
260.10336	24.5
261.03961	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	260.103
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02871	1.9
56.05025	4.3
56.96561	4.3
70.04243	5.5
70.04652	6.7
70.06593	3.4
72.08166	2.7
73.07681	5.9
74.02444	3.5
82.02941	2.5
82.06583	4.9
82.24102	1.9
83.06055	2.0
84.04514	3.6
84.08154	16.0
86.09705	22.9
98.06026	2.1
100.07644	4.4
106.84568	2.7
109.02859	3.4
115.05497	3.2
118.06524	5.7
129.05731	2.7
129.06616	6.2
129.10283	4.3
130.06581	10.9
132.10214	7.1
133.05232	6.4
134.99615	2.3
142.06535	6.0
143.11787	5.4
144.08037	3.2
145.07646	6.4
146.06015	38.8
147.06776	8.8
154.06456	2.9
156.06862	7.4
157.05257	5.8
158.05975	4.7
159.06796	3.8
159.09163	11.4
159.36194	2.2
160.07573	13.7
161.04700	2.6
169.07616	46.8
170.06049	18.8
171.05534	31.9
171.09146	4.8
172.07547	11.7
173.07088	11.9
174.05495	6.3
174.07890	27.7
185.04723	6.6
185.07195	3.5
186.10309	3.5
187.08661	33.8
188.07095	4.3
189.12422	3.7
196.08733	10.1
197.07100	73.0
199.08643	5.2
199.14807	2.9
201.06621	24.6
207.07628	2.3
214.09750	100.0
215.08211	6.7
215.10074	2.4
216.06599	5.8
220.08556	2.3
225.06522	5.5
243.07645	39.4
260.10312	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
51.27817	1.7
53.03949	1.9
55.01876	3.6
55.05504	14.2
56.76443	1.7
57.07063	8.3
60.61293	1.8
67.05508	28.4
69.03518	1.9
69.07069	11.3
69.31561	19.9
71.08618	1.8
79.05502	22.8
80.77438	1.8
81.03458	1.9
81.07059	21.1
83.08603	5.3
91.05479	38.2
93.07050	25.1
95.04969	5.8
95.08615	18.4
97.06512	7.1
98.21462	3.3
99.08048	2.0
101.05996	2.5
105.07034	45.3
107.04966	4.9
107.08596	9.9
109.06515	2.0
109.10162	7.4
115.05460	4.2
117.07019	14.3
119.08582	23.1
121.06504	2.9
121.10146	8.8
123.11741	3.1
128.06223	4.8
129.01836	2.0
129.07016	23.0
131.08551	22.1
133.06482	6.7
133.10120	15.5
135.11652	5.1
135.16638	1.8
142.03247	2.3
142.07777	4.5
143.08577	19.4
145.10118	13.1
147.06413	2.7
147.08051	8.6
147.11682	18.4
149.13284	3.5
157.10149	17.6
159.11714	7.2
161.09653	2.5
161.13275	21.9
163.11140	2.6
171.11682	21.0
173.13248	11.5
175.11200	6.8
175.14821	7.7
177.12741	4.0
185.13284	15.3
187.14789	3.2
189.12758	12.1
199.14867	10.0
203.14326	2.2
213.16438	2.8
215.18034	6.3
231.20973	11.7
241.19519	29.9
259.20599	100.0
260.21030	3.4
275.08780	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.05264	2.2
55.05509	30.7
57.03432	1.9
57.07074	10.4
62.06074	4.2
67.05215	1.6
67.05507	15.1
69.07063	12.1
70.51382	1.2
71.04990	1.4
71.08630	10.0
71.15292	1.4
71.58449	2.4
71.58831	1.4
72.04514	3.9
73.04877	1.4
79.05494	15.9
81.07060	17.6
83.08621	18.1
90.17410	1.6
91.05484	38.6
93.07057	14.2
95.04968	2.6
95.08607	15.1
97.06525	1.9
99.08076	5.7
103.05469	3.0
103.34914	1.5
105.07036	62.6
106.61244	1.4
107.04973	6.7
107.08593	8.7
109.06520	1.6
109.10144	5.9
115.05452	3.3
117.07018	40.9
117.07849	2.1
119.04958	3.6
119.08588	28.4
121.06512	20.3
121.10132	5.1
128.06245	6.6
129.06999	33.4
130.07730	1.9
131.08577	34.8
133.06497	41.5
133.10126	22.3
135.08066	2.5
135.11688	4.8
142.07748	3.6
142.99371	1.6
143.08557	25.6
145.06471	2.2
145.10126	33.1
147.08066	13.5
147.11679	23.1
149.13235	2.0
157.10138	22.2
159.11682	25.4
161.09653	4.0
161.13268	14.4
171.11668	17.4
173.13264	12.9
175.11206	3.8
175.14835	1.9
177.12779	4.4
185.13286	12.5
187.14854	2.7
189.12743	100.0
199.14882	11.6
203.14355	1.9
213.16412	1.8
215.18045	1.9
215.35242	1.3
231.25122	18.1
241.19522	19.2
241.23419	8.3
259.20599	98.6
259.24554	13.7
260.20981	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2055
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
52.20784	3.6
53.67828	3.4
55.05494	8.5
57.07050	4.9
67.05490	8.0
67.56893	3.3
69.07059	32.5
69.40215	36.4
71.04990	20.3
79.05499	4.5
81.07057	16.1
83.08611	8.2
85.06541	23.5
87.99966	3.6
88.01212	3.4
91.05460	10.9
92.39552	3.5
93.07043	13.7
95.04955	4.9
95.08599	23.3
99.08086	3.8
105.03373	6.1
105.07028	27.9
107.08572	22.3
109.06535	5.2
109.10164	16.0
111.08075	5.8
117.07003	7.6
119.08586	50.4
121.10135	12.6
123.11709	25.7
128.11418	3.3
129.07013	4.7
131.08562	14.2
133.10121	30.2
135.08049	14.3
135.11656	4.8
137.09644	5.9
142.07828	3.5
143.08534	7.5
144.09366	5.3
145.10130	35.6
147.11676	19.8
149.13272	4.7
156.09348	5.2
157.10132	16.0
159.11693	29.2
160.12286	4.0
161.13284	31.3
163.11163	4.4
171.11732	15.5
173.13271	13.1
175.11156	6.3
175.14819	86.4
176.15338	3.7
177.16380	3.9
185.13300	13.5
189.12764	3.5
189.16289	4.6
199.14751	5.6
201.16373	25.8
203.14339	10.1
215.17937	8.2
241.19496	15.4
259.20569	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2054
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
50.30401	2.3
50.30675	2.3
50.30939	2.3
51.48588	2.3
51.87057	2.3
53.20116	2.5
55.05507	15.1
55.05723	2.5
56.96544	3.4
57.03436	3.8
57.07061	4.3
57.54501	3.1
62.38926	3.0
67.05505	25.8
69.07053	12.2
69.51717	18.4
79.05486	25.7
81.07044	23.9
83.08600	6.3
85.06532	4.2
91.05469	52.5
93.07043	25.4
95.08610	18.1
97.06498	3.7
97.25519	2.7
98.20811	6.0
105.06396	4.4
105.07040	64.2
107.08582	13.9
109.10180	4.9
117.07011	14.2
119.08569	48.1
121.10130	9.6
129.06992	7.4
131.08575	29.0
133.10129	39.6
134.99634	3.7
135.11646	4.5
143.08534	11.7
145.10085	21.1
147.11688	38.3
149.13219	5.1
157.10144	7.8
159.11636	18.4
161.13257	19.9
170.02638	2.9
171.11723	10.4
173.13278	11.0
175.14821	8.7
185.13232	8.5
199.14891	7.7
241.19478	19.6
259.20563	100.0
259.28265	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	259.2055
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
50.58490	1.8
53.03923	2.3
55.01883	1.7
55.05512	17.4
56.96558	3.1
57.03432	3.0
57.07061	6.4
62.06090	1.6
65.03924	2.4
67.05500	20.4
69.06754	1.5
69.07067	13.9
71.04965	1.9
71.19677	2.4
71.20020	2.0
79.05493	27.3
81.07051	18.7
83.08606	8.6
91.05479	58.9
93.07037	20.3
95.04930	3.2
95.08604	14.6
97.06539	4.2
97.10126	3.6
99.08062	4.4
103.05490	3.5
105.07028	89.7
107.08593	14.0
109.10130	6.9
112.03101	1.5
115.05443	4.6
116.06229	2.0
117.07018	77.0
117.52662	1.4
119.08577	62.3
121.10135	7.5
128.06232	11.9
129.07001	33.9
130.07782	3.7
131.08568	67.3
133.10126	49.5
134.95183	1.9
135.07999	2.1
135.11674	5.4
142.07770	5.8
143.07495	3.1
143.08559	40.8
143.09666	2.0
145.10115	54.4
147.07944	1.6
147.11685	48.7
149.09608	1.8
149.13188	2.7
155.08528	2.4
156.09312	3.2
157.10159	26.4
159.11691	84.6
161.09615	1.7
161.13254	19.7
163.11142	2.2
169.10262	2.0
171.11687	31.2
173.13264	51.6
175.11125	2.4
175.14818	6.5
185.13255	39.3
187.14838	3.1
199.14822	26.9
213.16333	5.2
231.21077	3.3
241.19499	33.9
242.19945	2.0
259.20566	100.0
259.28198	5.3
260.21027	2.2
277.11111	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0963
Annotation	Cochinolide
Peak:m/z	Relative Intensity
53.03946	0.7
53.45259	0.3
55.05471	0.4
71.10191	0.8
79.05470	1.4
79.29042	0.3
81.07046	0.4
83.04968	0.4
91.05482	1.0
93.07023	0.6
95.04958	1.2
99.04466	1.3
100.50987	0.3
105.03377	1.2
105.07048	0.7
107.04954	100.0
108.05293	1.1
109.35342	0.3
111.04434	0.4
117.07014	1.5
119.08578	0.9
129.06998	0.9
131.09911	0.3
135.04431	0.8
136.03918	0.3
142.06270	0.3
145.10146	0.4
147.11697	0.4
149.06046	0.4
153.05460	7.3
161.06065	0.4
175.11191	0.3
185.09674	0.4
259.07181	0.3
259.09561	1.7
259.24405	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.1
55.05503	2.4
55.12980	1.2
56.05028	4.7
56.96552	4.4
57.03440	1.8
57.07087	1.5
58.06586	1.7
60.70610	1.2
62.92589	1.1
65.35918	1.4
65.82638	1.2
66.35938	1.3
67.05500	2.8
69.03436	3.0
69.07055	2.1
69.82253	6.6
70.06581	3.5
74.02441	86.9
79.05481	2.2
80.05014	1.9
81.03480	1.3
81.04556	1.7
81.07049	2.6
82.06580	4.9
83.04993	1.5
84.04503	100.0
84.08141	9.2
85.02892	5.1
86.09702	3.8
88.03941	1.2
91.05467	2.0
91.78705	1.3
94.06548	1.8
95.04985	1.9
95.06090	1.6
97.02930	1.9
97.04005	1.4
97.91242	1.1
98.21526	1.4
99.04446	1.5
100.07623	5.0
102.05556	2.8
102.09170	2.1
105.03383	1.5
107.04937	4.6
108.08158	1.8
110.06036	6.0
111.04411	2.3
112.07582	2.2
113.05931	2.0
114.05531	1.6
122.48701	1.3
124.07647	6.4
125.07108	2.4
128.06244	1.7
128.07123	1.9
130.05008	41.7
130.06503	2.6
130.08638	66.3
135.04398	2.4
136.07559	1.9
138.05501	2.4
142.03281	1.9
143.08211	3.6
150.09152	6.3
152.10661	1.6
153.01865	1.5
156.04198	1.9
157.06181	1.7
161.02982	1.4
163.03856	3.0
168.10213	2.1
170.08133	1.6
181.06519	1.7
183.06468	1.3
185.06058	2.1
195.06454	2.3
195.11313	2.0
196.09668	30.0
213.05475	12.3
213.12300	1.4
219.01851	1.2
231.06473	3.3
241.11775	4.2
241.15538	2.6
242.10226	9.1
246.09375	1.2
259.06277	1.3
259.10077	2.3
259.12915	25.5
259.16534	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	258.9974
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	16.0
71.00616	1.2
71.95256	2.3
98.97577	100.0
99.97903	0.8
100.97161	1.1
100.97955	0.7
101.23440	0.5
116.98613	87.5
117.98967	0.7
118.98237	1.1
118.99018	1.2
134.99649	46.8
136.99226	0.5
140.00185	2.0
153.00691	6.3
158.01276	1.7
177.00937	1.2
178.01054	0.5
219.02005	4.0
220.02168	1.2
234.99712	1.2
240.98601	3.8
258.99747	35.6
259.99863	1.5
277.00778	72.7
278.01019	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	259.0601
Annotation	Alternariol
Peak:m/z	Relative Intensity
50.36257	0.3
52.22638	0.3
55.01869	1.6
55.05499	0.8
56.05027	1.0
56.96556	0.6
65.03934	3.5
67.05476	0.4
68.99783	4.3
69.03409	0.8
69.07061	0.5
70.06582	0.8
70.87450	0.4
71.57718	0.8
72.08125	0.4
73.06550	0.7
81.03409	0.6
83.04980	0.3
84.08118	0.4
85.01128	0.5
86.09702	1.3
91.05457	0.9
93.03379	0.4
97.02884	0.9
98.09721	0.9
101.06014	1.5
105.07018	0.7
107.04938	2.6
109.02898	0.7
111.04437	1.1
115.05478	0.7
117.07048	0.9
119.08537	0.7
120.08160	0.7
121.02862	19.6
123.04408	5.8
123.10512	0.4
128.06223	1.8
129.07018	3.3
129.10164	0.4
133.06482	0.8
135.04404	0.5
137.02322	1.8
139.05408	1.9
141.06981	0.7
143.04895	0.9
145.06468	1.2
147.04398	2.3
147.08022	0.6
149.02335	100.0
150.02747	1.5
156.08409	0.5
156.10231	0.9
157.06483	11.5
160.05219	1.2
161.06004	1.2
163.03920	1.8
163.07585	0.6
167.03407	1.2
167.04922	1.2
171.04433	1.0
175.04120	0.4
175.07501	2.8
179.80988	0.4
183.06580	0.5
185.05980	16.2
185.07677	0.9
189.05519	0.7
195.05606	0.5
203.07094	1.2
210.12352	0.4
213.05461	19.0
214.05724	0.4
214.14441	0.4
231.06509	76.2
232.06873	2.0
241.04988	1.2
258.27844	0.6
259.06009	49.1
259.11078	1.2
260.06421	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03205	0.8
53.03936	2.2
54.17092	0.8
55.01858	3.5
55.05510	40.1
56.96562	1.1
59.04987	0.8
60.04525	10.1
65.13462	0.7
67.05511	1.1
69.03426	1.1
69.06724	1.1
69.07069	13.8
70.02940	4.4
70.52049	3.1
72.89093	0.8
79.05476	2.4
80.64085	0.8
81.07047	1.3
83.08617	44.3
85.01104	0.9
88.03987	59.5
93.07033	1.0
97.06525	5.0
97.07057	0.8
101.22646	0.7
102.05539	98.1
104.06278	0.7
111.08082	5.2
121.06504	1.1
130.04974	3.4
135.04427	0.9
137.05952	1.0
138.09154	1.8
145.10170	0.9
148.06041	100.0
163.03926	2.5
173.02382	2.4
180.10185	12.4
181.08693	0.8
198.11244	4.0
212.12805	8.8
215.07002	1.9
226.10785	1.2
240.12262	1.5
258.13364	32.8
259.09488	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.3
56.05029	3.6
56.96560	2.6
58.06599	1.7
60.15116	0.5
61.01904	0.5
61.02918	0.7
69.03426	1.2
70.06589	1.5
71.31750	0.9
72.08157	0.6
82.06575	0.8
82.36736	0.5
83.06107	0.7
84.03979	0.8
84.04503	23.8
84.08141	94.7
85.02900	1.4
85.08475	1.1
93.74083	0.5
95.06122	0.6
97.02895	1.2
98.97589	1.5
99.04501	0.7
100.02188	4.5
100.11229	0.6
101.10783	2.4
101.51165	0.5
102.05548	0.9
108.04516	0.7
111.04484	0.6
111.09190	1.0
112.05099	0.6
112.07606	0.6
116.98623	1.2
126.05533	1.2
128.98666	0.7
129.10237	100.0
130.04991	5.5
130.10593	1.2
134.99672	0.9
144.88818	0.5
146.02695	3.6
146.03809	0.5
146.99707	0.7
149.10677	0.6
155.04626	1.3
158.97406	0.8
159.90080	0.6
160.86813	0.5
166.55521	0.9
168.05411	0.8
173.01306	0.6
174.04367	0.9
177.00684	1.0
177.05917	1.1
180.01175	0.8
183.80901	0.5
194.12914	1.5
195.11255	3.9
204.05611	0.6
231.02722	0.7
234.98975	2.0
240.13374	5.1
241.11749	1.1
250.99669	0.7
258.09778	2.7
258.14453	3.5
258.18036	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.8
54.92493	0.8
55.01870	1.6
55.05270	0.8
55.05512	11.6
57.03432	1.7
57.07069	2.3
65.03936	1.4
67.05505	24.5
69.05342	0.8
69.07069	5.6
69.61904	5.4
71.04990	2.0
72.08138	3.4
79.05486	7.6
81.07059	13.2
83.04964	0.8
83.08595	3.4
85.06535	1.1
88.07580	1.1
90.09171	2.5
91.05473	16.0
92.63454	0.8
93.07056	6.3
95.04979	1.6
95.08613	11.5
97.06525	1.5
97.10118	1.5
103.05488	1.1
105.07030	16.3
107.08571	4.4
107.83367	0.8
109.06553	1.0
109.10167	4.7
115.05453	4.0
116.06229	2.9
117.07012	22.3
119.08572	7.7
121.10151	3.3
121.18519	0.8
123.08105	0.9
128.06227	7.2
129.07007	13.4
130.07751	6.2
131.08568	44.6
133.10139	6.6
134.99611	1.0
135.08072	1.1
135.11722	1.1
141.06963	6.8
142.07788	2.9
143.08554	23.9
144.09314	1.4
145.06512	2.0
145.10121	100.0
146.10442	1.9
147.08015	2.1
147.11717	5.3
154.07806	1.3
155.08533	8.1
156.09219	1.1
157.10124	15.3
159.08037	1.5
159.11717	17.5
161.09618	3.3
161.13281	1.5
167.08627	1.0
168.09320	1.4
169.10114	11.2
171.11690	21.7
173.09656	2.4
173.13251	9.4
175.11192	2.6
182.10921	1.4
183.11702	14.6
185.13260	5.5
187.11180	6.0
187.14822	0.9
189.12773	1.6
197.13251	9.4
199.14809	4.1
201.12756	1.7
211.12357	1.2
211.14798	2.7
213.16463	1.3
215.14345	1.5
215.17964	1.8
229.19551	3.7
239.17940	21.3
257.19006	62.1
257.26404	4.2
258.19339	2.5
258.27899	16.4
267.71277	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1899
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
54.56088	1.6
55.05520	10.2
57.03429	3.9
57.07074	6.5
59.04998	2.8
60.08161	10.4
65.03941	2.0
67.05509	25.0
67.47180	1.7
69.07067	3.2
70.85842	1.7
71.04996	2.4
71.08637	3.5
79.05495	10.5
81.07059	16.5
83.08622	2.6
91.05488	18.7
93.07039	7.5
95.04880	1.7
95.08611	10.0
98.97543	1.9
105.07027	15.3
107.08592	3.7
109.10133	6.2
115.05463	4.9
116.06229	1.9
116.98650	2.7
117.07020	31.1
119.08589	7.8
121.10117	4.1
121.72823	1.8
128.06171	8.3
129.06998	17.3
130.07785	3.8
131.08575	55.1
133.10143	7.9
134.99672	4.2
141.07030	6.6
141.16873	1.6
142.07797	3.9
143.08559	28.0
145.10123	100.0
147.08037	1.9
147.11662	4.6
154.07774	2.1
155.08528	9.2
156.09346	2.2
157.10124	18.3
159.08057	2.3
159.11707	22.6
161.09627	4.4
163.11156	2.2
168.09381	3.1
169.10149	11.2
171.11696	28.9
173.09528	2.1
173.13289	8.3
182.10956	2.1
183.11688	20.2
185.13275	6.6
187.11121	2.5
187.14844	3.0
197.13263	11.9
199.05983	1.6
199.14787	2.6
201.12823	2.0
211.14784	4.0
213.16486	2.1
229.19522	3.8
239.17929	21.9
257.15259	2.0
257.16098	2.9
257.19006	50.5
257.26978	3.4
257.30328	55.4
258.19427	3.7
258.27802	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	257.19
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.9
55.05510	11.1
55.05721	1.9
56.96555	7.8
57.03434	2.9
57.07079	9.8
67.05508	37.8
69.07055	8.3
70.06603	2.5
71.03014	3.1
71.03339	2.8
71.04995	2.3
71.08617	3.2
72.08157	13.4
79.05495	13.3
80.55925	1.9
81.07059	21.2
83.08609	8.2
85.06535	3.4
88.07613	2.8
90.09207	9.4
91.05476	31.9
93.07045	15.0
95.04955	3.9
95.08617	15.1
97.10188	2.3
98.97575	9.2
103.05456	3.0
105.07031	26.2
107.08580	9.1
109.10156	7.8
115.05432	6.0
116.06221	3.1
116.98620	13.3
117.07018	38.6
119.08565	14.0
121.10153	34.5
123.08052	5.2
128.06247	9.4
129.07005	29.0
130.07802	4.8
131.04916	2.6
131.08571	72.9
132.08917	2.1
133.06494	2.7
133.10117	10.6
134.99660	21.9
135.08076	5.2
135.11655	2.2
137.09621	4.8
139.35919	1.8
141.06967	14.5
142.07791	6.8
143.08557	41.4
145.06438	2.7
145.10124	100.0
146.10564	2.3
147.11668	6.8
149.09648	4.4
152.88641	2.1
153.00685	6.5
153.01826	3.2
154.07800	2.8
155.08583	12.5
157.10115	27.2
159.08015	4.4
159.11687	34.6
161.09636	3.2
168.09422	3.8
169.10133	20.2
171.11690	32.3
172.95267	2.7
173.13231	18.0
175.11218	4.3
181.10109	2.3
182.10960	3.6
183.11723	35.2
185.13275	7.0
187.11195	3.6
187.14757	3.8
197.13245	20.9
199.14833	11.5
201.16391	2.2
205.37956	1.8
207.89250	2.2
210.14143	2.2
211.14772	5.0
213.16385	2.3
215.17841	1.9
219.75119	1.9
229.19524	4.8
239.17966	38.5
257.08203	7.0
257.11343	12.7
257.19003	82.6
257.22153	3.7
257.22769	3.6
257.26553	17.6
257.30499	4.0
258.19336	3.2
258.27930	78.0
274.97461	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	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
50.26257	2.6
53.03935	3.5
55.05515	16.3
56.96556	4.7
57.03427	3.3
57.07072	6.9
58.11304	2.5
60.08146	7.9
66.93987	2.5
67.05507	29.8
69.07057	6.4
71.08610	2.8
71.59029	4.5
77.54795	2.5
79.05476	15.5
81.07060	19.4
83.08595	4.9
88.07590	3.0
91.05494	23.7
93.07039	9.8
95.08595	19.7
98.97594	5.9
103.05444	2.8
105.07035	28.2
107.08591	8.0
109.10165	13.1
116.98631	9.1
117.07014	23.8
119.08575	24.7
121.10191	6.9
128.06161	3.6
129.07024	10.2
130.07779	4.4
131.08559	42.4
133.06451	4.1
133.10147	19.0
134.99629	12.5
141.06969	7.9
143.08560	20.9
145.06436	8.7
145.10120	90.5
147.08099	3.6
147.11667	15.7
148.37503	2.6
155.08582	8.1
157.10156	18.3
159.08043	5.1
159.11687	27.9
161.13306	6.0
169.10130	11.9
171.11658	16.3
173.13278	14.5
183.11682	14.7
185.13242	3.2
187.11191	15.3
187.14832	8.5
197.13261	10.7
199.14824	3.9
201.00511	2.7
211.14807	4.1
229.19495	57.9
239.17996	18.8
257.19022	100.0
257.26877	5.6
257.30310	54.9
274.97522	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	257.1899
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03938	1.8
54.48339	1.4
55.05513	13.4
57.03435	2.3
57.07072	2.6
65.03954	1.7
66.81644	1.4
67.05508	35.5
69.07072	9.0
69.35806	16.8
71.04993	1.7
73.16958	1.4
75.79981	1.4
79.05485	9.6
81.07057	21.5
83.08620	3.0
84.61957	1.9
85.06541	1.9
91.05476	24.0
91.55515	1.6
93.07049	5.4
95.08604	7.2
98.97578	2.2
99.08082	2.1
103.05491	1.7
105.07033	11.1
107.08579	2.6
109.06453	1.7
109.10155	5.7
115.05447	7.7
116.06208	3.9
116.98579	2.2
117.07024	45.9
119.08598	7.8
121.10139	2.8
128.06224	10.5
129.07004	46.7
130.07773	5.9
131.08571	87.8
133.06522	2.4
133.10124	12.2
141.07008	19.1
142.07755	6.4
143.08568	34.0
145.06560	2.3
145.10126	100.0
147.08015	3.4
147.11751	2.3
149.09605	3.3
152.69122	1.6
154.07805	4.0
155.08542	22.4
157.10136	30.4
159.08105	5.3
159.11694	45.4
167.08517	1.8
168.09308	2.9
169.10129	16.7
171.11691	47.7
173.13255	18.6
175.11137	2.8
181.10168	2.6
183.11694	37.7
185.13293	7.1
187.11212	2.5
196.12491	2.4
197.13268	26.9
202.70276	2.0
211.14835	3.9
213.16411	3.0
215.14348	2.3
239.17967	41.2
257.18988	53.3
257.26727	2.2
258.19415	2.1
258.27988	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	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.05517	9.0
57.03438	22.1
57.07064	3.9
65.77488	1.9
67.05231	1.8
67.05511	21.8
69.07052	6.0
70.84538	6.3
72.08147	6.4
72.33096	1.8
78.04329	1.9
78.42303	1.7
79.05483	11.3
80.99286	1.8
81.07054	14.6
83.08622	4.4
85.06535	2.4
88.07635	2.4
90.09193	5.5
91.05482	24.5
93.07043	9.9
95.08596	13.9
98.97594	3.0
99.08089	4.5
105.07034	25.0
107.08566	7.5
109.06474	3.3
109.10146	4.6
115.05420	3.9
116.98640	2.2
117.07021	40.1
119.08591	12.0
119.09317	2.7
121.10145	4.5
128.06206	8.1
129.07008	44.5
130.07768	6.7
131.08571	41.2
131.49109	1.9
133.10127	7.3
134.99600	2.7
141.06987	8.0
142.07767	5.1
143.08557	26.6
145.10126	69.5
147.07988	2.1
147.11674	8.1
155.08536	9.6
157.10120	27.3
159.11705	37.7
161.09543	4.0
167.08565	2.4
168.09285	2.7
169.10136	14.6
170.10925	1.8
171.11679	10.0
173.09619	2.1
173.13242	14.0
175.11179	4.5
182.11014	2.1
183.11700	19.3
185.13254	92.7
186.13646	2.4
187.11235	3.1
197.13248	13.6
199.14732	5.0
201.16371	9.1
210.14061	2.3
211.14784	6.5
213.16425	3.3
229.19464	5.3
239.17943	32.3
246.13513	2.0
257.19006	100.0
257.26636	12.4
258.19470	3.2
258.27927	38.1
267.71814	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.57102	1.6
55.05505	8.1
57.07067	4.1
67.05503	10.9
69.07085	8.1
70.30643	4.9
71.04987	5.5
72.08144	6.9
79.05480	7.6
80.56702	1.8
81.07038	8.9
83.04956	2.3
83.08604	2.3
85.06512	5.4
88.40791	1.5
90.09173	6.4
91.05484	9.6
93.07045	15.0
95.04956	5.4
95.08609	12.3
97.06508	2.3
103.05474	1.5
105.06384	2.7
105.07029	30.7
107.08603	16.8
109.06509	6.5
109.10156	12.2
111.08054	2.2
117.07015	7.3
119.08590	27.1
121.06447	2.6
121.10145	72.4
123.08069	5.2
123.11681	1.8
128.06221	3.1
129.06984	6.4
131.08559	17.4
133.10153	10.4
135.08063	15.1
135.11665	4.7
137.09627	6.9
142.07799	7.0
143.08582	23.6
144.09370	2.3
145.10110	26.9
147.11702	4.8
149.09602	7.9
155.08545	5.1
156.09297	6.1
157.10126	29.6
158.10887	6.8
159.08037	2.3
159.11702	31.1
161.09621	2.8
161.13277	1.9
163.11223	4.4
168.09325	2.7
169.10139	12.6
170.10904	2.8
171.11708	17.5
173.09628	5.3
173.13271	31.8
174.14027	2.8
175.11205	2.8
175.14813	3.0
182.10823	1.9
183.11684	16.4
184.12413	4.8
185.13167	2.9
187.11174	10.7
187.14719	2.8
189.12718	2.7
197.13275	11.1
199.14818	37.4
201.12691	8.3
210.13916	2.4
211.14847	2.4
211.89691	1.8
213.16397	13.1
214.17139	5.1
215.14326	3.9
215.17957	12.8
218.72047	1.8
224.15590	2.2
225.13184	1.8
239.17937	18.0
257.19003	100.0
257.26627	3.1
258.19406	3.8
258.27924	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58627	1.0
55.01883	2.6
57.03440	5.9
67.05503	1.7
69.07050	1.9
69.72376	7.1
73.54968	1.2
75.04476	1.3
79.05494	7.2
81.07060	2.1
83.04970	2.3
91.05460	3.5
93.07065	1.7
94.04204	2.1
95.04971	2.5
95.08611	2.1
98.97588	1.3
102.09543	1.1
103.05466	3.3
105.07030	34.0
107.04946	7.6
109.06557	2.1
115.05474	1.3
117.07021	2.1
121.06511	1.4
122.03645	6.3
123.04440	1.8
125.06058	1.5
133.06496	45.8
135.04414	4.2
137.05977	100.0
138.06317	2.0
147.04523	1.2
152.98521	1.1
163.03915	4.1
163.07547	4.8
165.07005	2.4
165.09113	20.6
175.07564	3.5
175.11240	1.1
181.08641	2.0
183.08041	2.1
183.10239	2.0
234.98961	2.1
257.04776	1.0
257.07996	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1172
Annotation	AK-087/42718243
Peak:m/z	Relative Intensity
50.44872	0.7
53.39103	0.7
54.95112	0.8
55.01860	0.8
55.05512	0.8
56.96550	2.1
65.03935	1.4
67.05509	2.4
69.07073	0.9
71.58706	1.1
71.59108	0.7
79.05498	2.5
81.07063	2.0
91.05477	100.0
92.05808	1.4
93.07058	1.6
95.04953	0.8
95.08590	1.9
98.97588	3.0
103.05484	2.3
104.23751	0.7
105.07027	30.6
106.72741	0.7
107.04945	1.6
109.06503	0.7
109.10178	1.0
111.04425	0.8
115.05450	25.7
116.98596	4.0
117.07022	5.7
119.08573	1.9
121.06512	1.4
123.04446	5.7
125.06010	1.1
129.07005	3.0
131.04922	1.3
131.08556	4.2
133.06503	4.1
133.10187	1.0
134.99652	4.9
135.27649	0.6
137.05957	5.2
137.70508	0.7
141.06967	1.9
143.08542	1.9
145.10118	6.5
147.04474	0.8
149.05963	2.5
151.03912	1.2
152.42944	0.8
153.00659	1.7
153.01787	0.7
153.05455	1.2
154.07730	0.9
155.08582	1.2
157.10141	1.9
159.08018	0.9
159.11760	3.4
161.05992	8.8
165.06961	0.9
169.10150	1.5
171.11748	1.2
173.13326	1.3
174.34789	0.7
178.07796	3.2
179.07050	1.1
179.08517	6.4
181.06470	1.3
183.11671	1.9
185.13216	1.4
190.95421	0.8
193.10275	0.7
196.08890	1.9
197.13194	1.3
207.08115	2.3
208.08813	2.9
211.11241	2.8
215.14339	0.8
222.58388	0.7
223.07629	1.7
224.08269	4.9
239.10652	49.2
239.17896	2.2
257.07843	1.2
257.11719	29.6
257.18942	6.6
257.22726	1.2
257.26721	1.7
274.97513	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1168
Annotation	(+)-Kurasoin A
Peak:m/z	Relative Intensity
51.04844	0.5
55.05496	1.0
56.96558	1.6
60.09464	0.5
65.03935	1.8
68.99779	1.0
69.07076	0.9
69.17500	0.5
70.48006	1.9
79.05486	1.2
81.03410	2.2
91.05480	100.0
91.82647	0.5
95.04991	1.6
95.08611	1.2
98.97585	1.8
103.05469	1.8
105.07029	27.1
107.04947	1.9
108.40414	0.5
115.05453	30.0
116.98591	2.9
117.03359	0.8
117.07008	3.7
119.04944	3.9
119.08545	0.8
121.06534	1.0
123.04424	9.6
127.03926	0.6
128.06268	0.7
129.07008	2.2
131.04915	1.8
131.08568	1.1
133.06477	2.6
134.99655	3.7
137.02335	26.5
137.05962	5.1
141.07002	0.8
145.10133	2.3
147.04398	8.3
147.11723	0.7
149.06003	2.1
151.02238	0.6
151.03928	1.3
153.00717	1.2
153.01935	0.6
153.05476	2.2
159.11690	0.8
161.05972	10.2
163.03949	0.7
165.07013	1.2
169.10172	0.6
178.07761	3.0
179.08551	6.5
181.06485	1.2
181.10135	0.7
183.08127	0.7
196.08884	2.1
197.06006	0.7
198.61096	0.6
207.08128	2.5
208.08855	3.5
209.05864	0.7
209.09581	0.6
211.07558	2.0
211.11166	3.5
221.09596	0.9
223.07639	0.8
224.08333	6.0
239.10658	58.8
240.11116	1.2
257.08157	15.3
257.11786	32.9
257.19052	2.5
257.22620	1.0
257.26697	1.2
258.08328	0.7
274.97375	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	257.0804
Annotation	Pinocembrin chalcone
Peak:m/z	Relative Intensity
54.50545	0.7
56.96557	1.9
57.03432	1.3
67.01534	1.3
67.01865	18.8
67.05500	2.9
68.99783	8.5
69.03432	2.1
69.07062	1.0
71.58838	1.1
77.22324	0.7
79.05479	2.3
81.03409	2.2
81.07041	3.0
83.01333	1.3
84.25262	0.7
91.05474	6.1
93.07002	1.5
94.31126	0.8
95.08600	2.1
97.02877	2.7
98.97561	2.7
103.05466	11.0
105.03403	0.8
105.07018	3.3
107.04915	2.2
107.08562	1.0
111.00800	1.4
111.16698	0.9
115.05437	0.9
116.98652	3.9
117.07043	4.7
119.08562	1.7
121.10167	0.9
123.04409	1.7
125.02357	2.2
127.03886	1.3
128.05280	0.9
128.06180	1.6
129.01819	3.5
129.06946	1.7
131.04922	19.0
131.08557	3.1
134.99657	4.4
137.02344	1.2
138.24107	0.8
141.07051	1.0
143.08553	1.6
145.06454	1.2
145.10136	5.6
147.11740	1.0
147.55893	0.8
151.03864	1.1
153.01826	68.9
155.08517	1.7
155.88326	0.8
157.10144	2.8
159.11714	4.4
169.10156	0.9
171.02885	100.0
171.11670	1.4
172.03214	1.5
173.13232	1.8
179.03311	1.0
183.11716	1.4
185.13284	4.8
186.32454	0.8
197.13176	1.2
201.16368	1.2
215.07037	3.5
229.08546	1.2
231.69363	0.8
239.10657	1.4
239.18005	2.7
257.08087	51.3
257.19034	6.0
257.22565	2.0
257.26773	1.4
274.97562	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	257.0808
Annotation	Pinocembrin chalcone
Peak:m/z	Relative Intensity
53.03938	0.3
58.98040	0.2
67.01521	0.5
67.01865	6.2
67.05515	0.7
68.99794	3.2
69.03415	1.6
70.01502	0.3
70.06703	0.3
71.38136	0.3
79.05500	2.8
79.82677	0.3
81.03409	0.7
81.07060	0.4
83.01344	0.4
91.05486	3.4
93.07040	0.3
95.04967	1.2
95.08612	0.6
97.02895	1.1
102.04749	0.3
103.05470	21.6
104.05808	0.6
105.03424	0.7
105.07011	0.8
107.04971	2.5
107.08592	0.4
111.00793	1.1
111.04427	0.5
117.07021	0.6
120.80564	0.3
123.04434	1.7
125.02339	0.7
127.03889	0.6
129.01816	0.6
131.04930	40.2
132.05251	0.8
145.06502	0.5
145.10094	0.4
147.08009	0.7
151.03899	1.7
153.01830	100.0
154.02203	1.7
159.11635	0.3
163.03926	0.3
171.02890	22.7
171.11737	0.3
173.05998	2.6
179.03416	1.2
183.11742	0.4
191.07013	0.7
197.05997	0.5
197.13261	0.6
215.07007	2.2
229.08461	0.3
231.94177	0.3
239.06976	0.8
257.08087	77.7
257.19049	0.8
258.08432	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0808
Annotation	Pinocembrine
Peak:m/z	Relative Intensity
55.05507	3.3
56.96555	8.1
57.07084	9.9
58.07401	2.6
62.23958	2.1
67.01867	2.9
67.05493	6.9
68.05827	2.1
69.07053	4.0
69.61568	16.7
70.06590	10.9
71.06915	2.0
71.08626	2.7
79.05470	4.5
81.03449	2.6
81.07055	4.7
88.07641	14.1
89.07955	4.3
91.05472	8.8
93.07031	3.0
95.04986	2.9
95.08585	5.2
97.78932	2.0
98.21503	2.7
98.97572	7.8
102.09182	12.8
103.05460	24.6
105.07014	7.7
107.04919	2.8
107.08569	3.0
116.98598	11.6
117.07036	5.2
119.08553	6.2
129.07030	5.1
131.04929	53.4
131.08534	7.4
133.10103	2.3
134.99651	19.2
135.11711	2.0
142.09511	2.0
142.12218	2.0
143.08521	3.1
145.10098	11.9
147.11688	3.7
153.00777	4.8
153.01823	100.0
157.10191	2.7
159.11650	4.4
171.02953	5.7
171.11717	2.8
173.13290	3.4
183.11646	2.6
185.13232	3.0
189.09099	2.1
199.15053	2.2
239.17938	3.4
256.26367	15.6
257.08096	95.4
257.19034	9.0
257.22495	5.1
257.26691	61.9
258.08386	2.7
274.97620	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0808
Annotation	Isoliquiritigenin
Peak:m/z	Relative Intensity
53.03941	0.9
65.03927	1.0
65.11956	0.4
65.68980	0.4
67.05500	1.4
68.99782	1.4
69.03426	0.4
69.56274	1.7
69.56708	1.4
72.14765	0.4
79.05506	0.5
81.03416	8.4
81.07043	0.9
91.05481	8.5
95.04950	1.7
95.08594	1.1
96.02112	1.4
98.97569	0.5
105.07032	1.1
106.97444	0.4
107.04943	1.8
109.02872	0.8
109.10122	0.5
111.04434	1.6
115.05450	0.7
116.98612	0.7
117.03390	4.1
117.06943	0.6
119.04937	15.5
119.08601	0.5
121.10137	0.5
123.04428	3.1
123.08051	0.4
127.03915	1.1
131.08568	1.5
133.10149	0.5
134.99686	0.5
135.04437	0.6
137.02332	100.0
138.02684	1.1
143.08530	0.7
144.26663	0.4
145.10115	1.7
147.04405	34.0
147.11691	0.7
147.26189	0.4
153.06992	0.6
155.03383	1.3
155.08446	0.5
157.10164	0.5
157.69655	0.4
159.11734	0.6
163.03949	2.2
165.06978	2.0
168.09259	0.6
169.10117	0.6
171.08012	0.7
173.13246	0.9
183.08118	1.6
187.07526	0.9
197.05939	0.6
197.13316	0.5
211.07573	3.9
215.07027	0.5
239.07021	4.9
239.18153	0.5
242.05774	2.4
257.08081	62.9
257.18958	2.0
257.26590	0.6
258.08405	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0807
Annotation	2',3,4-Trihydroxychalcone
Peak:m/z	Relative Intensity
53.03942	0.8
56.96566	1.6
58.65804	0.6
61.49878	0.5
64.98791	0.6
67.05473	0.5
68.99793	2.0
69.07061	0.7
70.06596	1.2
70.59574	0.5
70.60406	0.6
71.04996	0.6
71.08652	0.6
77.89108	0.5
79.05501	2.8
81.03437	0.6
81.07051	1.1
86.09703	1.6
91.05486	1.9
95.04975	3.4
95.08587	0.9
95.36047	0.6
98.97578	0.8
107.04951	81.1
107.08596	0.6
108.05298	1.2
111.04425	0.8
119.04903	3.9
120.08087	0.8
121.02811	0.9
121.10084	0.6
123.04427	2.4
126.68095	0.5
131.04903	0.8
133.06499	0.6
134.06012	0.6
134.99652	1.2
135.04413	61.2
136.04739	0.6
141.06892	0.7
147.04398	2.1
151.03880	6.6
152.07060	0.6
153.01819	1.0
153.07010	0.6
156.77267	0.5
163.03896	100.0
164.04274	1.9
165.06989	1.9
167.08563	0.7
173.06032	0.7
177.44273	0.6
181.04930	0.8
183.08081	1.3
197.05977	0.7
211.07430	1.6
229.04910	1.4
229.08525	2.9
239.07004	4.0
257.04245	1.3
257.05106	0.9
257.08078	23.8
257.26651	1.0
258.08365	1.2
260.81458	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.9646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.1
55.58481	0.9
56.96565	34.5
57.03418	2.1
58.06585	1.4
61.02909	2.4
69.03434	4.8
69.07055	2.2
70.06584	1.9
71.04955	1.6
71.47039	1.7
71.47403	0.9
71.95242	4.2
72.08145	1.5
73.02906	3.6
74.97607	1.1
79.05469	0.9
81.03420	1.7
81.04540	3.0
82.06575	1.0
84.08125	2.7
85.02916	6.2
86.09686	2.1
87.04462	1.0
93.03401	0.9
95.06087	2.7
97.02886	3.8
97.95168	0.9
98.97581	91.0
100.11250	3.1
101.00864	1.2
107.04915	0.9
110.07163	2.1
110.49059	0.9
110.97553	1.3
116.98617	100.0
119.01923	7.3
125.07124	5.3
127.03967	1.1
128.98520	2.0
130.93271	2.5
131.01875	2.2
133.03441	3.0
134.05977	3.1
134.99657	89.8
135.98965	1.0
137.02956	1.5
140.00194	2.3
143.08162	1.9
145.03444	1.8
146.99643	3.6
148.94289	1.2
149.01219	1.3
152.07050	3.6
153.00706	14.9
154.03914	1.2
155.01839	1.1
158.01230	3.3
161.01198	1.4
161.02911	2.1
163.04407	1.6
165.00714	1.0
170.05161	1.5
171.01689	1.0
172.94350	2.5
172.97882	1.1
173.01128	1.0
173.02969	1.0
175.02747	1.4
177.00723	1.5
186.25119	1.0
190.95407	9.9
190.98746	1.1
197.01929	1.0
206.02629	2.4
208.96442	4.2
214.95424	1.5
221.05110	1.8
232.96407	9.3
233.01479	1.9
234.99739	2.5
239.10390	1.1
239.14023	1.1
250.97462	5.6
251.02560	5.5
256.26364	1.2
256.96417	8.6
257.05212	1.7
257.11115	2.1
257.12524	1.0
257.15048	10.4
274.97501	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	256.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48229	1.8
53.03949	2.4
55.01859	4.9
55.05497	7.0
56.96563	5.3
57.03414	2.0
57.07069	8.7
67.05237	1.6
67.05510	19.9
69.07060	2.2
70.02956	12.4
70.06608	8.3
71.57802	2.0
72.08132	2.4
73.02908	7.0
74.02043	2.4
74.02441	36.1
79.05489	18.3
81.03427	3.8
81.07057	81.9
84.08140	2.0
85.02892	6.5
86.09686	2.0
88.03989	71.7
88.07623	2.0
91.05479	2.6
93.07034	7.2
95.04967	2.8
95.08604	64.4
98.97573	7.6
98.98456	3.5
107.08604	3.0
110.01254	2.8
110.07189	2.1
116.03461	23.9
116.07072	2.6
116.98608	6.6
119.52010	1.8
120.04617	1.9
123.08097	15.5
124.03973	2.1
128.98624	4.0
131.01831	2.2
134.04489	100.0
134.99643	7.2
137.05830	2.2
140.02237	2.3
140.10658	1.9
146.99635	3.9
147.91507	1.7
149.02881	1.9
150.09154	5.6
152.07141	2.4
161.01186	2.6
161.02872	3.5
164.10684	3.6
166.12277	2.1
177.00723	5.5
178.08551	1.6
189.00734	3.3
192.10162	11.3
198.06577	2.9
201.00746	3.2
210.11296	16.1
219.01743	2.9
238.10684	10.5
256.11688	10.6
256.19162	2.9
256.26303	18.9
267.19479	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.03
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92283	1.3
55.01860	6.1
55.05503	2.1
56.96571	16.1
57.03436	10.7
57.07074	2.5
58.99858	3.2
61.02922	10.4
69.03427	13.6
69.07050	2.9
70.06593	2.4
71.01356	2.7
71.04982	2.6
71.57502	2.6
73.02913	7.7
74.06068	1.6
77.00897	3.3
78.52041	1.6
81.03416	3.6
82.01448	1.7
82.06585	1.4
83.04927	2.1
84.08134	2.7
85.02908	18.5
87.00839	1.5
87.04465	1.8
88.07632	2.3
96.04462	3.2
97.02895	13.9
98.97573	8.2
98.98447	3.0
99.04429	2.6
100.02495	8.8
100.07592	3.2
100.11251	14.5
101.00875	2.5
101.02345	1.8
109.02887	2.3
110.07195	1.9
110.97578	1.8
113.00900	2.4
113.02365	2.7
115.02420	18.5
115.03934	2.8
116.98623	7.2
117.04011	5.7
118.03526	5.3
119.01897	24.4
120.02022	1.7
124.03949	100.0
127.03880	1.5
128.02364	2.1
128.98610	2.9
129.04007	1.9
131.01888	9.1
133.03458	23.0
133.04961	3.9
134.03664	1.6
134.22505	1.6
134.99666	6.8
135.05054	8.7
137.02954	9.4
138.04044	1.9
140.05547	1.8
141.04062	1.6
142.03517	6.5
143.01904	6.7
143.05516	1.4
145.03479	8.7
145.99965	3.1
146.99651	4.9
147.05061	1.9
149.01318	1.8
149.02905	2.6
150.06627	7.3
152.07109	1.5
154.03493	1.7
154.04648	2.3
155.08150	4.0
157.03447	2.0
159.01318	1.8
160.04716	2.6
161.01147	1.6
161.01782	1.7
161.02962	14.9
161.05615	3.1
163.02820	1.7
163.04457	3.8
164.08182	3.4
168.04997	2.0
169.05312	2.4
170.06105	3.3
171.01428	7.9
171.05154	1.6
173.03056	2.7
177.00746	4.6
177.02472	1.5
178.04942	1.7
179.03993	1.8
184.04584	4.7
187.00780	2.0
187.04335	1.7
189.00932	1.9
189.02380	8.9
189.55724	2.0
190.98654	3.7
194.03043	2.7
196.07184	10.0
207.01756	2.3
207.03523	6.2
210.08815	7.6
212.04033	8.5
215.00391	3.9
230.05054	3.9
233.01439	15.9
245.05093	1.9
251.02510	55.4
252.02689	1.6
256.03036	31.5
256.09454	7.9
256.12909	5.9
256.26285	11.4
274.04138	23.5
279.04517	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.4
55.01861	5.4
55.05509	31.0
56.96553	6.6
57.03436	54.8
57.07069	5.4
65.03938	6.5
67.05502	97.2
69.07066	36.7
71.01358	5.5
71.04982	9.3
79.05492	85.1
81.03409	14.6
81.07054	48.8
83.04971	26.9
83.08617	12.6
85.06534	11.9
91.05476	40.0
93.07037	100.0
95.04988	14.5
95.08613	20.4
97.06525	25.1
97.10186	19.1
98.98461	84.5
99.08084	4.1
105.07008	10.2
107.05009	2.8
107.08595	65.7
109.10136	16.0
111.08083	4.5
117.07010	10.4
119.08576	14.6
121.06466	3.7
121.10131	13.5
133.10153	5.9
135.11690	86.1
143.08539	3.9
145.10152	18.8
153.12843	3.7
163.11182	11.8
165.80205	2.9
173.60664	3.8
176.98909	4.1
181.12260	12.2
255.06433	5.3
255.15718	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	255.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.4
55.01882	3.2
55.05510	32.9
57.03436	57.1
57.07067	6.9
60.48839	1.8
65.03927	2.5
67.05503	100.0
69.03419	3.0
69.07069	29.6
69.81676	2.3
70.21680	9.3
71.01359	3.7
71.04989	9.5
74.09511	1.9
76.94594	2.0
77.80241	2.0
79.05493	87.3
81.03402	10.3
81.07056	44.9
83.04984	27.3
83.08623	9.3
85.06538	9.3
91.05476	38.7
93.07044	96.8
95.04966	13.2
95.08594	18.3
97.06526	23.6
97.10166	19.8
98.98469	51.2
99.08103	3.7
100.98906	3.2
103.10844	2.2
105.07022	8.0
107.04940	4.0
107.07871	3.2
107.08598	63.1
109.06522	3.3
109.10152	10.8
111.08038	4.5
113.64039	1.8
115.05454	2.3
117.07024	9.8
119.08581	15.2
121.06537	2.5
121.10114	15.3
125.09643	7.0
128.06276	2.3
129.07057	2.2
130.07831	2.2
131.08543	3.4
133.10121	6.7
135.08084	2.0
135.11690	94.7
137.09618	3.3
145.10117	13.0
146.03922	2.0
151.21085	2.0
153.07173	1.8
153.12775	2.9
157.10188	2.5
163.11179	11.3
181.12254	11.7
207.90982	2.0
213.16251	2.4
255.06487	2.6
255.10149	2.7
255.15706	34.2
255.21100	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	255.159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66291	3.2
53.03946	6.1
55.01866	4.1
55.05510	35.3
57.03437	54.8
57.07061	9.5
67.05504	91.8
67.47475	2.9
68.16373	3.4
69.07066	33.0
69.66778	25.3
70.06586	4.6
70.91545	3.1
71.04999	6.5
79.05495	91.4
81.03416	12.2
81.07044	39.7
83.04976	22.6
83.08627	7.8
85.06522	7.6
91.05468	29.7
93.07047	100.0
95.04960	12.3
95.08612	13.4
97.06521	24.4
97.10178	24.0
98.98465	83.9
99.08109	4.6
100.98895	3.7
105.07030	12.3
107.04962	4.4
107.08593	60.0
109.06550	4.6
109.10162	15.0
110.35208	3.2
111.08055	5.1
116.37923	3.4
117.07007	6.6
119.08580	15.2
121.10141	13.6
125.09621	3.9
133.10098	7.1
135.11691	87.4
142.07831	4.3
143.08565	6.5
145.10138	18.7
163.11221	14.3
167.08568	4.1
169.10245	4.4
177.00693	3.8
181.12212	14.9
255.10107	3.4
255.15620	39.4
256.26389	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	255.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.0
55.01855	6.9
55.05509	32.8
57.03437	49.8
57.07066	11.3
57.87165	2.7
59.29645	2.7
65.03917	3.3
67.05504	89.9
69.03424	3.5
69.07060	29.8
70.64957	4.9
70.65293	5.3
71.01353	4.8
71.04980	9.5
71.08628	3.0
79.05494	92.9
81.03403	12.1
81.07055	55.0
83.04988	25.9
83.08620	7.9
85.06539	9.2
91.05479	38.5
91.85953	2.8
93.07038	95.4
95.04951	11.1
95.08596	21.4
97.06539	27.0
97.10185	16.3
98.98470	54.6
99.08128	5.0
101.35114	2.7
105.07027	11.3
107.04948	4.0
107.08591	62.8
109.06518	3.3
109.10147	12.8
111.08087	4.1
115.87397	2.8
117.07009	12.1
119.08566	14.9
121.06450	3.7
121.10127	18.1
128.06180	2.9
130.07758	3.6
131.08501	4.1
133.10121	8.3
135.10689	4.9
135.11694	100.0
137.09576	4.1
143.08525	4.3
145.10114	22.3
149.35657	3.1
153.12712	2.8
157.10106	6.3
158.07178	3.1
161.02356	3.9
161.09648	3.7
163.11168	10.9
171.11697	8.2
174.35442	2.6
181.12207	12.4
182.10977	2.8
185.13156	3.2
195.11708	6.0
197.13300	8.9
199.11084	2.9
211.14844	3.7
213.12837	2.9
213.16341	6.2
237.16385	4.3
255.06477	7.6
255.15904	30.0
255.17802	11.8
262.47534	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	255.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.1
55.01856	4.1
55.05508	34.4
57.03436	59.0
57.07085	9.6
58.32913	2.0
65.03941	3.4
67.05506	100.0
69.03441	2.2
69.06721	3.1
69.07067	37.5
69.78787	12.8
71.01338	5.3
71.04990	9.2
79.05494	85.1
80.23481	1.8
81.03429	12.9
81.07059	51.9
83.04984	28.4
83.08615	10.8
85.06541	8.4
90.99149	1.9
91.05482	34.9
93.07042	95.4
93.60079	1.9
95.04972	11.9
95.08606	23.8
96.47074	1.9
97.06522	24.7
97.09611	2.7
97.10174	19.8
98.98466	30.6
99.08099	5.5
105.04478	2.2
105.07019	9.6
106.83858	1.9
107.04949	2.5
107.08596	62.0
109.06573	2.3
109.10148	13.8
111.08092	3.9
116.99488	2.3
117.07021	6.8
119.08598	11.2
121.06500	4.1
121.10146	18.4
125.09660	4.5
133.10086	5.7
135.08076	2.2
135.11691	98.0
137.09610	3.9
141.06966	2.4
143.08528	3.2
145.10127	19.5
149.13161	3.1
150.60414	2.0
153.12724	3.1
154.93498	2.0
163.11159	12.6
169.10193	2.0
181.12204	11.7
244.45732	1.8
255.15782	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	255.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50402	1.0
53.00308	1.2
53.03936	1.8
55.01863	3.9
55.05510	3.3
56.05020	2.0
56.96558	1.2
57.03438	15.1
58.04075	4.4
65.03945	2.0
67.05498	4.6
68.05019	4.9
69.03429	1.6
69.07079	4.5
71.04984	1.7
72.04510	3.7
72.08163	1.9
74.06078	20.3
75.04482	6.8
75.39729	1.0
76.05128	2.0
79.01867	2.2
79.05500	5.9
80.05007	2.1
81.03411	1.9
81.07066	5.5
83.08643	1.6
84.53828	1.1
85.02901	2.4
86.09718	1.1
91.05478	20.6
92.06271	2.1
93.05787	2.8
93.07040	5.1
94.04160	1.3
94.06576	4.0
95.04976	5.0
95.08616	2.1
96.04499	1.8
96.08125	15.1
97.06535	1.4
97.10157	1.0
98.21519	2.7
98.98466	33.6
98.99120	1.6
100.98885	2.1
103.05471	52.9
105.03420	2.8
105.07025	2.6
107.01337	1.5
107.04964	2.9
107.07310	1.7
107.08584	1.8
108.08134	9.6
109.02881	2.0
109.06520	2.9
109.10136	1.7
110.02995	0.9
110.03671	20.7
110.07187	2.5
110.09679	4.0
116.08216	45.2
116.99568	1.6
118.05006	2.1
119.04945	20.4
120.05731	1.7
120.08121	1.3
121.06507	17.7
122.03706	2.4
122.06833	8.7
123.04430	49.9
123.08054	1.3
124.05228	8.4
124.07593	31.4
125.02332	1.3
126.77055	1.2
127.03918	2.1
131.04930	100.0
133.06506	1.9
134.09691	3.3
135.04410	2.6
135.08083	5.1
135.11736	1.6
136.05215	1.5
136.11211	9.7
137.05975	36.8
138.06772	27.4
143.03395	2.8
145.06485	1.4
147.04410	3.4
148.05167	1.5
149.05968	2.2
151.03938	1.4
151.07555	13.1
152.10680	1.4
153.01828	22.7
153.02991	1.8
160.07190	4.5
161.05898	1.3
163.07545	31.8
166.06256	30.3
168.06499	1.7
175.07585	1.7
176.98833	1.6
178.06236	1.8
179.07019	3.6
180.07880	2.3
180.92308	1.2
181.08591	18.4
186.24519	1.2
189.08984	1.2
193.14140	6.8
195.13979	1.0
196.09676	2.5
219.10056	1.7
237.11380	1.4
241.43813	1.2
255.04800	2.0
255.14540	4.5
255.17662	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	255.1013
Annotation	5-Methoxyflavanone
Peak:m/z	Relative Intensity
55.01878	0.5
55.05508	0.6
57.03437	0.4
65.03941	1.6
65.04248	0.3
67.05505	1.8
68.99793	1.1
69.81190	1.9
71.41159	0.3
79.05481	0.8
91.05496	0.4
93.07027	1.0
95.04978	1.7
95.08553	0.4
97.06538	0.4
98.98472	2.7
103.05478	1.9
105.07082	0.3
107.04909	0.3
107.08604	0.8
108.02081	3.5
111.04405	1.4
121.02837	0.8
121.04029	0.4
123.04399	0.6
131.04935	3.8
135.11684	1.2
136.01471	0.3
151.03896	100.0
152.04280	1.5
154.02620	1.5
183.87186	0.3
186.67972	0.3
193.16187	0.3
237.09016	0.3
240.07782	2.1
255.10149	20.7
256.10391	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.065
Annotation	Daidzein
Peak:m/z	Relative Intensity
54.79366	0.2
55.01874	1.0
55.05500	0.3
57.84871	0.2
65.03932	0.7
67.05494	0.3
68.99767	0.7
69.03405	0.2
70.84245	0.6
79.05504	0.3
79.46345	0.2
80.33017	0.2
81.03405	0.5
81.07032	0.3
84.04491	0.2
91.05478	5.4
95.08580	0.2
98.98462	2.1
100.11251	0.5
103.05432	0.4
104.33530	0.2
105.03408	0.5
109.02883	0.3
115.05429	0.6
119.04926	2.0
121.02865	0.8
127.03827	0.2
128.06224	1.5
129.06999	1.9
131.04892	0.8
131.08557	0.3
133.02824	1.0
134.03577	0.4
137.02332	11.2
141.06931	0.3
143.08565	1.2
145.02849	2.3
147.04378	0.2
149.02325	0.9
152.06206	1.5
153.06979	3.6
154.12198	0.3
155.08524	0.3
157.06508	2.1
165.06996	0.3
169.06427	0.4
171.08061	1.8
171.14931	0.7
181.06470	6.7
182.07213	0.4
184.05182	0.8
185.05997	0.5
197.05997	0.6
198.06754	0.3
199.07535	15.4
200.07877	0.3
209.05972	0.8
210.06824	0.3
211.07538	0.3
212.04829	0.2
225.05524	0.3
226.06161	0.3
227.07014	6.5
227.09340	0.3
227.83684	0.2
237.05458	3.2
255.06506	100.0
256.06857	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0649
Annotation	7,8-DIHYDROXYFLAVONE
Peak:m/z	Relative Intensity
55.05500	0.4
55.52977	0.3
57.07065	0.3
67.01871	2.9
67.05470	0.3
68.99782	1.6
69.07055	0.7
71.16171	0.3
71.16513	0.5
81.07059	0.5
91.05453	0.4
95.04932	0.5
95.08596	0.6
98.98464	8.8
100.98891	0.3
103.05470	3.7
105.03389	1.4
107.05006	0.3
109.10195	0.3
115.05464	0.3
116.99506	0.7
119.08585	0.4
121.10114	0.4
123.24474	0.3
128.06223	0.3
129.01814	0.4
129.03349	1.8
131.04926	0.7
131.08426	0.3
132.05711	0.4
139.05415	0.4
139.14418	0.3
141.34343	0.3
145.10141	0.3
147.04390	1.3
152.06252	0.5
153.01822	8.1
153.06934	0.4
157.06345	0.5
157.10045	0.3
162.19693	0.3
171.02875	1.7
171.04280	0.6
181.06468	0.6
187.07547	0.3
199.07574	0.5
209.05997	1.3
212.04674	0.3
213.05452	0.8
227.07069	0.5
231.06607	0.5
237.05469	0.4
240.04189	0.4
255.06520	100.0
256.07001	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	254.9752
Annotation	Unknow
Peak:m/z	Relative Intensity
64.62969	27.4
67.42303	21.6
70.69053	46.4
75.96908	20.1
146.08221	24.3
151.93304	29.2
176.93562	38.6
190.15709	23.9
194.16312	22.9
194.93915	89.2
223.32542	24.0
254.97241	32.1
255.00775	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.2
55.05500	2.7
56.05034	2.6
57.03437	2.8
58.40354	1.4
69.03437	4.5
69.07055	2.1
69.64632	9.5
70.06578	3.8
71.05013	2.0
72.08141	4.6
73.02901	4.6
77.63744	1.5
81.03391	2.0
82.06596	2.1
83.06095	9.2
83.08641	1.5
84.08130	5.3
85.02890	8.5
90.79568	1.5
93.04524	5.2
97.02861	3.7
98.20841	3.1
98.97839	2.5
98.98468	28.5
100.07619	7.9
103.02390	1.7
110.07163	100.0
116.99586	2.1
119.01917	9.5
124.03952	3.6
130.08652	5.8
131.01891	4.8
133.03450	2.2
135.04976	1.8
137.02948	3.0
138.06642	3.2
143.01894	3.1
145.03491	3.5
146.08104	6.8
147.01404	2.1
153.01816	6.1
155.01935	2.3
156.07698	16.2
156.97437	4.2
161.02940	2.2
163.04495	1.6
164.11803	2.9
173.02913	3.2
174.04530	2.4
174.55254	2.7
174.98581	7.2
182.99069	4.2
184.04578	1.7
185.02957	4.6
194.93906	1.9
201.00130	4.5
203.03897	1.7
209.14043	8.7
215.03966	2.1
228.99684	2.2
237.13385	4.8
245.05112	4.0
255.12051	2.5
255.14496	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	254.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.05510	0.7
57.97121	0.3
70.71379	0.5
70.71709	0.7
72.08158	7.8
79.05485	1.0
80.07954	0.3
81.07036	1.8
88.05887	0.3
91.05486	4.5
93.07037	7.9
94.07441	0.4
94.47740	0.3
95.04980	1.2
98.98475	1.1
103.05463	3.8
110.33142	0.4
113.91306	0.4
116.10728	0.9
121.06503	100.0
122.06829	1.8
128.76083	0.4
136.07616	0.4
192.13832	55.2
193.14197	1.4
196.93552	0.3
236.16466	4.9
254.17519	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	254.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
55.01876	0.6
55.05509	5.5
62.76835	0.5
69.03424	0.6
70.06587	0.5
70.23076	0.5
70.97687	1.3
72.93766	0.6
76.43960	0.5
77.03929	0.6
79.05513	0.7
81.07073	0.8
82.06570	0.5
83.08607	0.6
90.67323	0.5
91.04903	0.6
91.05480	10.4
92.82152	0.4
93.07041	15.3
95.04954	3.4
97.02879	1.4
98.98464	5.4
103.04791	0.8
103.05464	11.9
109.07646	1.6
112.07595	0.5
118.06516	1.0
119.07304	2.1
121.06503	100.0
122.06854	1.7
125.00484	0.5
127.08690	0.8
134.09651	49.3
182.09059	0.8
199.01753	1.1
210.18558	2.2
217.02820	0.6
235.62613	1.5
236.12454	9.4
236.16640	0.6
236.62608	2.4
240.04141	0.6
244.63144	1.0
245.13004	5.1
245.63095	0.7
253.63663	1.2
254.13464	5.9
254.15431	30.4
254.21004	1.0
254.63770	2.2
255.15797	0.8
263.08441	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08178	1.5
55.05497	6.2
56.05030	3.3
56.96571	9.2
57.03436	3.1
57.96943	1.6
58.46198	1.7
60.04515	2.6
68.05035	2.6
69.03410	2.1
70.06594	5.3
71.57272	3.2
72.08136	2.3
79.01817	2.1
79.05497	3.1
81.03407	2.1
81.04539	2.3
81.07063	23.2
82.05309	3.5
83.06100	19.6
84.04465	2.7
84.08118	3.0
85.02906	2.1
86.09678	2.1
91.05421	2.3
93.04530	14.0
95.04989	2.3
95.06091	27.7
97.02886	3.2
98.06042	10.3
98.97507	2.6
98.98464	54.1
103.05485	1.8
104.05755	2.4
106.97631	1.7
107.06087	2.6
110.07166	100.0
111.04381	2.0
111.05543	2.0
112.07586	6.1
112.08738	2.5
116.99509	3.0
119.04958	2.1
120.08109	14.1
121.02858	2.0
121.07657	2.7
121.08436	19.7
123.04420	1.9
127.03947	2.2
129.01698	1.6
143.03412	1.8
147.04436	2.4
148.07579	2.0
149.05984	2.5
151.03746	1.6
152.07051	1.8
153.01826	18.1
154.02153	2.2
156.07655	4.7
163.12309	43.4
174.98537	1.7
176.99005	1.9
180.05171	19.3
180.12508	2.7
181.03561	6.5
188.92438	2.7
190.13411	16.4
193.13344	4.7
193.99564	2.0
195.11279	2.8
208.09822	2.1
208.14461	63.3
209.12820	4.9
211.00816	2.1
212.00830	2.9
236.13998	2.0
249.02338	1.8
254.01932	3.0
254.08734	5.0
254.14967	85.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53447	3.1
53.20000	2.9
56.96558	8.1
60.27256	2.8
60.81432	3.2
61.02929	4.4
69.03430	5.0
69.07085	3.1
69.92017	18.3
70.06586	7.3
71.83756	3.1
75.04472	3.9
83.08581	3.8
83.80214	3.2
85.02900	4.2
91.05489	4.7
91.61830	2.9
93.07049	3.0
98.20700	3.1
98.98468	100.0
103.03923	6.9
116.99510	6.4
121.06506	3.1
136.96297	3.2
143.99371	3.2
153.01732	4.7
159.02866	15.9
177.00600	3.6
219.05054	21.9
245.41795	4.3
254.10078	6.6
254.13885	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	254.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00172	2.8
56.96557	4.0
58.79916	2.9
67.05508	3.4
69.03443	4.1
70.06573	4.6
71.04997	5.5
71.57881	4.8
74.54962	2.8
75.04494	5.7
79.05489	4.7
93.07034	4.3
98.98463	100.0
103.03970	8.8
103.56963	2.8
116.99517	4.1
120.08129	5.8
121.02849	3.3
121.06506	5.3
152.05669	8.2
153.01817	6.7
159.02904	23.1
164.05730	4.7
181.08638	3.0
208.13373	7.0
219.04976	31.3
254.10207	4.2
254.12537	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1433
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
52.23701	1.2
53.03949	3.0
55.01863	4.2
55.05503	5.6
55.38900	1.2
65.03933	2.0
67.05512	12.1
69.03416	4.4
69.07074	7.4
70.82652	2.9
71.04984	6.9
79.05074	1.5
79.05497	28.9
81.06581	2.7
81.07060	46.4
83.04984	6.9
83.08609	2.5
84.27913	1.3
85.06536	4.6
91.05485	18.5
93.07044	39.0
95.04985	12.3
95.08610	14.0
97.02872	1.4
97.06540	15.8
98.98468	63.6
98.99126	3.2
99.04446	8.3
100.12664	1.3
103.05459	1.7
105.07027	26.0
107.04971	5.9
107.08605	19.0
109.05790	1.9
109.06518	28.6
109.10164	5.5
111.04510	1.5
111.08070	5.0
111.36395	1.4
113.06003	3.3
115.05441	1.5
116.99503	3.0
117.07023	1.8
119.04950	1.4
119.08567	18.3
121.06503	100.0
121.10169	3.0
123.04379	1.7
123.08070	4.9
123.11748	1.9
125.05961	3.1
127.07541	12.7
128.06192	3.0
129.06978	4.2
130.07835	1.5
131.08569	3.7
133.06502	4.9
133.10121	9.5
135.04419	5.4
135.08038	11.5
135.11705	2.1
137.05966	6.7
139.07565	11.2
141.05466	3.0
141.06992	2.2
142.07794	6.8
143.07140	1.7
143.07385	2.0
143.08557	11.4
145.10129	6.7
147.04379	1.7
147.08035	3.7
147.11685	25.0
149.09543	1.5
151.07561	1.3
155.08565	2.5
156.09328	3.2
157.08868	2.0
157.10121	17.3
159.08026	2.0
161.05998	1.7
161.09569	1.4
161.13268	12.4
165.07008	2.2
165.12726	3.6
166.07765	4.1
171.11678	17.1
172.12086	2.1
173.09610	3.3
174.99193	1.2
175.11159	17.8
181.10097	5.8
184.08859	2.5
189.09096	1.3
189.12743	15.7
193.08569	1.4
193.12247	13.0
199.11183	31.6
207.13799	8.8
217.12238	73.8
218.12679	1.9
235.13313	28.9
253.14311	11.3
262.03497	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1433
Annotation	a ubiquinol
Peak:m/z	Relative Intensity
53.03929	2.3
55.01882	7.8
55.05495	5.6
56.56490	1.6
57.07074	2.4
65.03925	1.7
65.18742	1.5
67.05181	1.9
67.05502	29.4
69.07056	7.2
69.47849	8.0
69.48286	6.1
71.04977	3.7
79.05491	12.7
81.03407	5.4
81.06593	2.2
81.07056	33.2
83.04961	6.1
83.08582	2.3
85.06526	3.3
91.04957	2.7
91.05473	23.5
93.07039	7.7
95.04945	6.5
95.08582	6.1
98.98463	100.0
100.31694	1.5
105.07023	22.1
106.62296	1.6
107.08576	15.6
109.06522	3.0
109.10149	33.2
116.99498	5.0
123.11684	6.2
127.07545	1.8
131.68794	1.5
133.10127	39.4
140.01089	2.5
151.11172	20.1
161.09560	2.1
169.12309	4.1
219.08344	1.4
253.14342	55.9
254.14636	1.5
261.26266	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1433
Annotation	a ubiquinol
Peak:m/z	Relative Intensity
55.01867	4.6
55.05500	3.4
57.07056	2.1
67.05164	1.8
67.05502	18.5
69.03416	1.3
69.07059	5.0
69.65682	4.3
69.66112	3.9
71.04967	1.2
79.05489	8.0
81.03403	1.7
81.07054	19.8
83.04972	2.9
83.08656	1.3
84.27598	1.1
85.06536	3.0
88.98684	0.9
91.05489	10.6
93.07047	4.8
95.04967	3.2
95.08585	4.5
98.98463	100.0
100.98892	1.4
105.07026	11.0
107.08580	9.7
109.06521	1.4
109.10159	20.7
116.99493	5.0
119.08596	1.7
123.08057	1.1
123.11703	3.3
133.10115	23.1
140.01041	2.1
151.11153	11.6
161.09680	1.5
163.07655	1.1
169.12225	2.3
174.99214	1.4
253.14316	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1433
Annotation	a ubiquinol
Peak:m/z	Relative Intensity
51.62532	1.3
53.03938	2.0
54.49063	1.1
55.01876	8.2
55.05496	4.8
57.03436	2.4
57.07055	2.4
59.00997	1.2
65.03908	1.3
67.05178	1.9
67.05505	31.8
69.03417	2.2
69.07073	10.3
69.35247	7.7
69.35681	5.3
71.04975	3.6
71.08634	1.7
72.63070	1.2
79.05489	14.0
81.03403	4.6
81.07059	26.3
83.04966	4.7
85.06511	3.5
91.05485	23.4
93.07057	8.8
95.04948	4.9
95.08578	5.0
97.02886	1.5
97.06540	1.6
98.98467	100.0
105.07036	18.1
107.04935	1.5
107.08596	13.8
109.06489	2.6
109.10158	32.7
109.23646	1.5
113.05984	1.8
116.99490	5.3
117.07044	1.3
119.08601	1.6
122.81329	1.3
123.11681	5.3
127.07557	2.1
133.10130	35.7
140.01074	1.8
151.11188	18.1
159.34018	1.2
161.09602	1.9
169.12250	3.1
176.98952	2.6
197.11804	2.2
250.08455	1.4
253.14330	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	253.1433
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
53.03947	2.4
54.51498	1.5
55.01863	4.2
55.05503	4.0
63.83959	1.6
67.05502	14.3
69.03414	4.8
69.07056	6.2
69.99033	6.7
71.04976	6.9
79.05491	21.5
81.03408	1.7
81.07054	55.0
83.04971	5.2
83.08615	3.0
85.06530	4.6
91.05475	17.5
93.07040	40.9
95.04967	15.2
95.08597	17.5
97.02864	2.1
97.06529	16.3
98.21397	2.5
98.98460	57.8
99.04464	7.8
103.05483	1.6
105.07024	27.5
107.04964	7.3
107.08587	23.4
109.06509	34.6
109.10157	6.0
111.08098	3.4
113.05967	5.4
117.07018	3.2
119.04881	2.0
119.08576	18.8
121.06500	100.0
121.10118	4.3
123.04407	4.8
123.08060	5.8
125.06007	4.8
125.44867	1.6
127.07566	15.9
128.06253	3.4
129.07002	5.2
131.08563	4.7
133.06491	4.1
133.10139	8.1
135.04417	6.9
135.08073	9.3
135.11681	1.5
137.05966	4.4
139.07526	17.1
141.05423	2.5
142.07756	5.5
143.07472	1.8
143.08505	9.4
145.10146	7.4
147.08041	5.7
147.11674	27.6
149.09549	1.6
151.07587	1.9
155.08527	3.3
156.09311	5.1
157.08733	3.2
157.10107	15.7
161.13225	11.8
165.12759	4.9
166.07753	3.7
171.11674	19.0
173.09669	2.8
175.11156	18.6
181.10156	4.4
184.08786	2.3
189.12740	23.1
193.12228	20.7
199.11157	36.1
207.13754	9.1
217.12236	81.0
235.09683	3.7
235.13297	30.1
253.14276	13.5
253.19963	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49468	0.5
55.01867	0.6
55.05506	1.0
56.96552	2.0
57.03432	0.9
57.07061	1.6
60.04500	0.5
61.02922	0.7
64.01954	0.5
65.02955	0.4
67.05491	1.5
67.42130	0.4
69.03432	2.7
69.07061	1.0
69.62758	3.0
70.06590	1.2
73.02913	0.8
73.06558	2.2
79.05502	0.9
80.39864	0.5
81.03433	0.6
81.07051	1.4
83.08580	0.5
84.04510	0.9
84.08142	0.9
85.02905	6.6
86.09660	0.4
91.05477	1.0
93.07062	0.9
94.06550	0.5
95.04955	1.0
95.06084	0.7
95.08604	0.8
97.02888	2.3
98.06055	0.6
98.98464	100.0
99.04421	0.8
100.98875	1.3
103.05482	0.9
105.06980	0.5
109.02872	1.0
110.07185	2.3
116.98676	1.1
116.99495	6.3
120.08101	15.1
121.06535	0.4
123.04370	0.6
125.31315	0.4
127.03907	1.2
134.99654	0.7
137.06010	0.7
140.01053	0.9
141.05447	0.8
146.05963	0.4
150.05568	0.6
153.16895	0.4
155.54721	0.6
163.12369	0.8
174.99294	1.3
176.98975	1.1
179.10693	0.5
197.11844	1.5
207.07756	0.8
208.14488	1.1
211.00928	0.6
213.94864	0.5
235.07118	0.6
253.08299	0.7
253.11891	0.5
253.16151	0.5
254.15129	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1182
Annotation	H-Ser-Phe-OH
Peak:m/z	Relative Intensity
55.05501	0.6
55.66194	0.5
56.96568	0.9
57.07072	1.9
60.04526	52.6
67.05494	0.8
69.03400	0.6
69.07062	0.7
69.72935	0.4
70.02943	0.6
71.04989	0.6
71.22569	0.4
71.56889	0.5
81.07040	1.5
84.08144	0.7
87.05586	2.4
91.05495	0.6
93.07023	1.0
95.08604	1.6
98.98465	100.0
100.98888	1.8
103.05447	2.7
105.07018	0.9
107.04964	0.8
109.10081	0.6
116.99524	5.3
120.08103	86.6
121.08451	1.4
123.04426	0.5
131.04915	1.5
132.08110	0.9
139.03874	0.5
140.01086	1.4
141.05492	0.6
144.08076	2.2
149.05992	1.9
159.02899	1.0
162.09138	2.2
166.08640	45.9
167.08972	0.7
174.99207	1.1
176.98955	1.1
179.10612	0.6
197.11739	1.5
207.11302	10.7
219.04979	1.2
235.10800	2.2
253.11879	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	253.1071
Annotation	CHEBI:69186
Peak:m/z	Relative Intensity
55.01868	0.8
55.05514	2.7
57.03429	1.6
57.07076	71.2
67.01855	1.8
67.05509	4.2
68.99810	0.9
69.03425	1.9
69.07072	3.0
69.94813	1.6
69.95229	1.7
71.04983	1.6
72.04526	0.6
79.05508	3.0
80.17004	0.5
81.03394	1.6
81.07062	5.7
83.04959	0.9
83.08618	0.8
85.02903	1.3
85.06542	11.2
91.05470	2.8
91.87270	0.7
93.07044	3.6
95.01333	0.6
95.04965	1.4
95.08617	5.5
97.02908	1.2
97.06520	1.0
98.98468	68.1
99.04453	0.6
99.08121	0.6
101.46950	0.7
105.07038	3.2
107.04993	0.6
107.08587	2.2
109.02850	0.7
109.06511	2.0
109.10145	3.1
111.00816	0.8
111.08096	0.7
112.42907	0.5
116.99499	4.6
117.70252	0.5
119.08557	1.7
121.06506	1.2
121.10139	2.1
123.04510	0.8
123.08055	1.2
123.11729	1.0
125.09694	0.6
127.03921	45.8
127.07544	13.0
127.60281	0.6
133.10173	2.7
135.04439	0.6
135.11725	0.8
137.05959	1.4
137.09599	1.0
140.01117	0.7
141.05530	0.8
145.10103	0.8
147.04405	2.8
147.08041	0.7
147.11681	2.1
149.09590	0.9
151.03902	3.3
153.01830	100.0
154.02174	1.4
157.66643	0.6
161.09558	1.3
165.07045	1.5
165.12807	0.6
169.04967	7.7
171.02930	1.4
174.99269	0.9
176.98981	0.9
179.10719	1.1
181.06534	0.6
189.09137	1.0
189.16331	1.1
217.08571	1.3
217.12141	1.1
217.15981	0.7
235.09607	4.6
235.13293	0.7
235.16876	1.8
253.05144	0.6
253.08432	1.0
253.10695	9.8
253.19661	1.8
271.12146	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1069
Annotation	Pyrenochaetic acid B
Peak:m/z	Relative Intensity
55.01857	0.7
55.05513	2.6
57.03415	2.0
57.07071	3.1
64.02118	0.6
65.03938	1.2
67.05511	4.7
68.99774	1.2
69.03403	0.7
69.99393	0.5
70.89428	1.7
79.05472	2.3
81.03392	1.3
81.07056	3.4
83.04971	0.7
83.72857	0.4
85.02903	4.3
85.06149	0.5
85.06548	5.7
91.05482	5.0
93.06963	0.7
95.04941	1.1
98.98463	10.3
100.07642	0.5
105.07060	3.2
107.04940	1.8
109.02851	2.1
109.06494	2.7
115.05436	0.7
117.07018	1.6
119.04906	2.3
119.08574	3.0
119.99946	0.5
121.06502	0.7
123.04412	2.0
123.08022	1.9
127.03907	1.2
127.07494	0.7
128.06218	3.1
129.06995	1.0
131.04855	0.8
131.08525	0.8
133.06465	3.1
133.10107	1.3
134.03632	1.1
135.04417	2.6
137.05971	2.1
143.08562	3.5
145.06512	3.0
146.07303	0.6
147.04408	39.9
147.08046	5.0
148.04781	0.9
149.05954	1.3
150.03061	1.3
151.03882	2.9
151.07585	1.1
161.05989	5.5
161.09618	5.4
163.03899	1.8
163.07503	1.8
165.05479	6.3
171.08046	6.2
173.05978	3.7
174.06723	2.0
175.03912	1.5
175.07535	6.4
177.05446	7.6
179.03406	1.0
179.07022	1.5
184.05212	0.5
188.04700	3.0
189.05452	1.8
189.07381	1.2
189.09103	23.8
191.07024	3.6
192.07770	2.2
193.04941	0.7
193.08591	2.1
193.26393	0.6
199.07547	4.9
202.27681	0.5
206.05730	0.9
207.06531	0.6
207.10199	4.2
208.25671	0.5
217.08597	40.8
218.08997	1.0
235.09647	100.0
236.10001	2.1
253.10709	23.7
253.19939	1.2
254.11166	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1071
Annotation	Pyrenochaetic acid B
Peak:m/z	Relative Intensity
53.03947	1.1
55.01856	1.3
55.05510	3.4
55.31146	0.8
57.03425	2.3
57.07077	7.6
67.05502	7.7
68.99780	1.8
69.07062	1.1
69.31693	9.1
69.32100	1.4
71.04979	1.3
75.44940	0.8
79.05483	2.9
81.03403	1.8
81.07056	6.6
83.04952	1.2
83.08621	1.3
84.65727	1.0
85.02902	4.2
85.06548	7.9
90.24001	1.1
91.05481	6.2
93.07038	3.8
95.05009	1.2
95.08593	3.3
97.06521	1.5
98.21526	2.0
98.98463	26.3
105.07047	5.9
107.04968	2.9
107.08597	3.6
109.06522	4.5
109.94781	1.0
111.08030	1.1
116.99495	1.0
119.04922	2.5
119.08582	3.2
121.06513	3.3
123.04428	1.9
123.08053	2.8
127.03902	1.6
127.07513	1.0
128.06210	4.0
129.07060	1.0
131.08578	1.3
133.06467	2.3
133.10110	2.4
135.04395	3.3
135.07985	1.4
135.11726	1.1
137.05908	2.7
137.09564	1.2
143.08553	5.0
145.06490	3.3
145.10016	1.2
146.07272	1.1
147.00989	1.0
147.04405	46.3
147.08058	7.3
147.11682	2.1
149.06007	1.1
150.03140	1.8
151.03900	2.6
153.01823	10.5
159.06773	1.0
161.02364	1.5
161.05968	7.0
161.09605	6.5
163.03929	2.7
163.07593	2.0
165.05467	7.2
165.09160	1.0
171.08038	5.2
173.05959	2.8
174.06738	2.3
175.07555	7.6
177.05473	7.5
179.03386	1.1
179.07031	2.7
188.04698	4.0
189.05501	1.3
189.09102	26.1
191.07040	4.1
192.07802	3.1
193.08621	1.3
199.07562	4.7
206.05675	1.1
207.10172	4.4
217.08598	48.4
217.12047	2.2
235.09647	100.0
236.10081	2.5
253.10719	25.0
253.13580	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0819
Annotation	5-Hydroxy-N-formylkynurenine
Peak:m/z	Relative Intensity
56.96548	0.8
57.07064	1.4
67.05490	1.4
69.03414	0.9
69.07081	0.6
70.06582	0.4
71.57117	0.5
71.57504	0.6
72.08140	0.4
74.02436	1.9
79.05477	0.8
81.03416	0.6
81.07050	1.2
91.05488	0.8
95.08583	1.2
96.04494	0.9
97.02923	0.7
98.98460	100.0
100.98885	0.9
106.06536	2.0
108.04485	0.7
109.10122	0.5
110.06055	1.4
110.07146	0.5
116.04972	0.6
116.99480	5.6
117.05753	0.7
118.06532	1.7
119.06105	0.7
120.04472	1.3
120.08118	1.0
126.05507	0.8
133.07608	1.2
134.06013	9.7
136.03946	1.6
140.01022	0.8
141.05479	0.8
144.04472	1.3
146.06006	14.5
147.04272	0.6
147.05498	0.5
147.11627	0.4
148.03926	1.0
149.04779	0.8
152.07036	0.7
153.01871	0.8
158.06082	0.6
161.04776	0.6
161.07127	4.0
162.05501	20.0
163.06239	0.7
164.03429	7.0
166.08633	0.5
171.05574	0.5
172.03949	0.9
173.07143	1.8
174.05579	0.6
174.99278	0.9
175.08606	0.5
176.98900	1.3
179.08177	0.8
179.10677	0.8
180.06551	1.2
189.06488	2.1
190.04982	4.9
190.07559	0.5
191.08162	0.7
197.11734	1.3
203.05904	0.5
207.07654	12.6
207.09531	0.8
208.06096	1.0
208.08226	0.6
218.04422	1.0
219.07709	1.2
220.08427	2.2
225.08838	0.6
235.07152	2.8
236.05493	1.6
236.07849	1.0
253.08186	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	252.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41656	0.9
55.05512	7.5
56.96556	1.9
57.07069	1.5
67.05489	1.6
69.07059	3.9
69.54726	1.8
69.55137	6.5
72.08144	7.3
79.05490	2.0
84.08135	1.1
86.09708	3.1
88.03988	1.3
91.05476	11.7
93.07027	1.2
94.79686	1.1
95.04967	1.0
98.98463	80.5
103.05478	2.0
104.03463	1.3
105.07029	5.0
107.04928	3.0
114.78979	1.1
115.05473	6.9
116.17574	1.0
116.98736	1.0
116.99522	4.3
117.07011	32.4
118.06541	4.3
119.04926	4.0
120.08121	8.3
121.06517	2.4
123.04394	2.2
127.03893	1.6
129.07010	2.7
131.04953	6.1
133.06483	1.8
136.06158	6.5
137.05980	27.4
137.07047	1.4
143.04956	2.1
145.06479	45.3
146.05994	10.8
147.04408	3.1
148.05232	1.8
149.05959	11.2
151.07539	2.2
157.06491	3.0
161.05971	20.0
161.07239	1.4
163.06369	1.6
163.07538	43.5
164.07057	62.5
171.11731	1.4
175.07506	11.6
177.07845	2.2
180.08606	2.5
180.10190	46.4
189.09145	1.5
206.08173	2.2
208.13329	11.1
217.12245	14.7
234.07706	1.7
234.14897	25.3
235.13321	1.1
252.15973	100.0
253.16266	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50816	0.4
55.05577	1.1
59.01952	0.4
59.02242	0.6
60.55391	0.4
61.44755	0.4
69.07133	1.3
70.05041	2.2
71.98277	0.4
72.08208	0.6
74.02510	6.2
79.05555	1.3
81.07055	2.8
86.09743	0.6
88.03990	10.5
91.05480	22.1
92.05844	0.7
93.07079	0.5
94.04107	1.5
98.20857	0.5
98.98465	14.0
103.05491	0.5
104.03476	1.0
106.06590	0.9
107.04941	2.2
109.88622	0.4
110.45468	0.5
111.46555	0.5
115.05475	0.6
116.03448	3.3
116.99549	0.8
117.07018	5.7
118.06583	1.4
119.03561	2.0
120.08111	1.7
121.06513	1.0
123.04394	0.8
129.07016	0.5
130.58479	0.4
131.04945	1.3
133.06509	0.5
134.04480	12.2
136.06183	100.0
137.04651	2.2
137.05882	3.5
143.04852	0.4
145.06490	6.8
146.06007	1.3
147.04358	0.6
149.05991	2.0
157.06407	0.6
161.05963	4.1
162.06676	0.5
163.06276	0.7
163.07532	6.8
164.07074	12.1
165.05287	0.6
175.07516	2.0
177.07771	0.5
180.08855	0.6
180.10176	5.7
192.06447	0.5
192.93320	0.5
203.49413	0.5
206.07974	1.5
217.12259	2.9
220.21251	0.4
234.07391	0.7
234.13284	15.0
252.14244	38.4
253.14436	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1093
Annotation	5'-Deoxyadenosine
Peak:m/z	Relative Intensity
50.12990	0.3
53.03929	0.4
55.05507	0.6
56.96557	1.0
57.03423	0.6
57.07081	0.3
60.04534	0.6
67.05487	0.4
69.03429	1.0
70.06597	0.9
71.04996	0.6
71.57669	0.5
72.08150	1.0
73.02909	1.4
81.03428	0.4
84.04499	0.5
84.08138	2.0
85.02895	0.7
86.09710	1.4
91.05458	0.4
94.04066	0.5
95.01910	0.3
97.02884	0.4
98.06049	0.5
98.98465	35.9
99.04453	1.3
107.04920	0.4
109.02878	0.4
110.07135	0.9
112.07587	0.3
116.99500	1.9
117.05486	2.4
119.01900	0.3
119.03558	0.7
119.47836	0.4
120.08107	0.8
121.05104	0.7
129.10207	0.4
134.99664	0.5
136.06183	100.0
137.04587	1.0
137.06628	0.7
164.97281	0.3
173.02975	0.6
174.99171	0.5
176.99028	0.4
178.07195	0.4
215.63440	0.3
216.08841	0.3
219.01903	0.3
229.87637	0.4
235.15587	0.6
252.08623	0.8
252.10802	1.8
252.15967	1.0
252.23215	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02433	1.5
53.03940	2.9
55.01866	5.9
55.05517	4.1
56.05032	4.9
56.96564	39.2
57.03435	17.6
58.03781	1.7
58.07462	1.8
59.04992	2.4
60.04526	36.6
60.95848	4.6
61.02934	17.4
64.15578	1.7
67.05503	3.0
69.03428	30.2
69.07050	3.8
69.86825	9.9
70.02942	2.7
70.03757	2.5
70.06618	3.8
71.01363	2.0
71.04994	11.7
72.04503	4.2
72.08145	4.4
73.02922	17.8
73.06551	2.0
74.06075	6.8
74.97617	2.4
75.04499	9.4
77.00862	2.3
78.74329	1.7
80.05027	1.6
81.03410	13.4
81.77823	1.8
82.06570	2.4
83.04941	4.0
84.04510	11.6
84.08138	5.7
84.96029	2.9
85.02902	48.3
86.03220	3.2
86.06053	3.1
87.04470	7.5
88.03992	15.5
90.01572	2.6
90.05540	2.7
90.09203	5.2
91.03989	2.1
91.05479	3.6
93.07059	1.6
95.00755	2.3
95.04982	3.2
96.04512	2.3
97.02887	40.5
98.01289	2.3
98.03239	3.8
98.06062	5.5
98.21442	3.0
98.97591	34.9
98.98471	100.0
99.02055	6.4
99.04447	6.0
101.00806	2.7
101.02557	2.5
101.06049	3.0
102.05548	8.5
102.96915	2.5
103.02477	1.6
104.01307	2.2
104.10763	2.1
105.02089	2.6
106.05026	48.2
106.05695	2.8
107.04929	2.2
108.02619	2.4
109.02865	7.3
110.01276	3.0
110.06076	2.6
110.07143	2.0
111.02084	4.0
111.04446	3.1
112.07594	2.9
112.99149	3.2
115.03968	1.7
116.98643	31.2
116.99518	4.3
118.03582	2.1
119.01870	12.1
120.97921	7.1
121.01667	4.3
121.06506	11.4
123.04489	2.5
123.54842	2.1
124.02879	3.1
126.02593	3.5
126.05535	2.6
127.03901	10.8
128.02371	2.2
128.98605	6.3
129.05481	2.9
130.05020	6.5
131.00186	6.8
131.01859	6.0
132.02580	2.9
133.03452	10.8
134.03561	2.9
134.99658	24.8
135.03154	4.8
136.06168	2.0
136.07536	2.0
137.05960	2.9
138.98938	5.4
140.02361	5.0
143.00203	4.4
145.01707	2.6
145.03409	4.2
145.04996	3.3
146.99664	9.5
147.03149	4.5
147.05127	2.5
148.03920	2.5
148.06136	3.9
149.01280	11.7
149.02864	10.9
149.04781	2.5
150.05479	3.7
151.04585	2.1
152.07063	3.3
153.00684	3.9
153.01904	2.1
153.03062	3.3
155.02876	3.1
155.53041	1.7
156.03615	3.5
156.06625	2.6
157.03481	7.4
158.01233	2.0
158.03369	5.0
158.99686	4.8
159.05049	4.4
161.01201	9.0
161.02917	3.9
161.55676	15.0
162.03636	17.1
162.05377	10.2
162.99232	2.5
163.02785	3.6
163.04390	3.9
164.03117	2.7
165.00723	4.1
166.03922	2.2
169.04518	3.4
170.56165	8.1
170.99739	2.1
171.04152	68.9
171.05945	8.7
171.54341	6.3
172.06075	4.1
172.95232	2.2
173.02835	4.4
173.54321	2.2
175.04514	5.0
176.07704	2.1
177.00743	5.4
177.02786	2.6
177.04193	10.6
177.05928	2.1
178.04990	8.9
179.02277	9.6
179.05833	2.3
180.04721	2.6
182.07011	4.3
182.55038	6.5
182.56783	3.9
183.05066	2.0
186.04736	17.1
186.54893	3.1
186.96788	1.8
188.07632	2.2
188.09184	2.8
189.00757	3.7
189.55717	2.4
191.02299	3.6
193.00229	1.9
197.01239	4.6
197.03395	9.9
197.55405	2.8
198.06027	2.9
198.07651	3.7
201.00662	3.5
203.02391	2.4
203.04054	3.0
206.06737	2.1
207.01868	3.5
207.05235	3.0
207.07973	2.3
208.13348	1.9
210.06099	2.8
211.01036	3.0
211.06262	2.6
215.02187	4.8
216.08643	9.6
219.01822	3.4
219.07146	2.0
221.03265	2.4
221.07010	4.9
222.05841	1.9
223.04779	1.9
226.05676	2.0
228.07388	1.9
229.00276	3.3
229.07443	6.0
234.09738	4.1
237.02795	4.9
243.06310	2.8
245.03256	3.0
247.08498	3.9
252.04349	2.6
252.06752	3.2
252.10687	3.3
252.23409	2.4
270.08472	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08962	0.6
51.24648	0.6
57.07074	0.7
65.03942	1.5
69.07102	0.8
70.02939	1.0
70.06602	1.1
72.08166	1.3
74.02437	26.2
79.05506	1.2
81.07065	2.2
84.04510	0.8
84.08133	2.7
86.09693	1.0
88.03989	48.7
89.81272	0.6
91.05478	100.0
92.05806	1.3
93.07035	1.3
95.04974	0.7
98.98463	50.4
104.03470	0.8
105.03395	0.8
106.06490	0.7
107.04951	2.1
116.03445	17.8
116.98656	1.0
116.99489	2.5
117.06995	1.2
118.06555	1.1
119.03464	0.7
120.08096	3.2
121.06480	1.6
129.10225	1.6
134.04483	52.8
136.06183	59.4
137.04620	1.1
137.05887	0.9
143.04886	0.6
145.06517	1.5
146.05899	1.6
147.04335	0.7
149.05956	0.7
152.05650	1.3
159.07353	0.7
161.06012	1.1
163.07501	1.8
164.07016	2.4
180.10149	1.6
188.07089	0.9
206.08125	3.5
214.82906	0.6
234.07439	2.4
234.13406	7.5
252.08675	1.8
252.14394	23.2
252.23041	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.6
65.03927	1.5
70.06568	1.4
72.08170	1.3
74.02439	28.6
79.05485	3.3
81.07056	1.6
83.62305	1.1
84.08134	2.0
86.09683	2.0
88.03992	44.1
91.05481	100.0
98.98462	64.4
100.02409	1.1
103.05480	1.6
104.03487	2.4
105.03387	1.7
106.06549	2.7
107.04955	5.8
115.05413	1.6
116.03461	16.5
116.99469	2.7
117.07025	5.4
118.06536	1.6
119.03551	1.5
119.04951	1.3
120.08084	14.4
129.06952	1.3
129.10278	1.3
131.04892	3.1
134.04486	59.8
136.06184	62.2
137.04587	2.2
137.05956	3.5
145.06479	7.8
146.05991	3.0
147.04401	1.1
149.05962	3.8
151.07590	1.4
161.05914	3.7
163.07570	7.9
164.07060	15.4
175.07541	1.8
180.10170	8.5
188.06953	1.1
191.69167	1.1
192.06516	1.6
206.08104	5.9
217.12260	3.7
234.07672	2.2
234.13239	9.0
235.15715	1.2
252.14554	23.7
252.16264	7.3
252.23248	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
69.02861	0.7
70.02943	1.2
71.04626	2.1
77.58385	0.8
79.05503	2.1
79.94099	0.7
84.04549	0.8
84.08142	1.4
86.09711	1.3
87.00827	2.1
91.05476	1.2
93.07047	2.7
97.02859	0.9
98.98464	28.0
102.70097	0.8
103.05462	8.6
104.03449	1.9
105.07040	0.9
106.06547	2.0
107.04965	4.4
116.99480	1.6
118.06541	10.7
120.08106	100.0
121.08411	1.1
124.31261	0.8
128.04993	1.2
129.10207	0.8
131.04930	2.5
136.06184	6.1
146.06010	19.0
162.18729	0.8
165.37024	0.8
166.08626	1.4
188.07068	17.2
192.06654	2.3
206.08119	50.7
207.08533	1.2
234.07561	0.9
234.13533	1.1
252.14502	2.2
270.99097	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37194	0.6
64.11773	0.6
70.97594	1.4
70.97948	0.8
87.00813	3.3
91.05483	1.7
93.07037	1.6
98.98461	9.9
103.05454	7.3
118.06526	10.9
120.08099	100.0
121.08451	1.1
136.06166	1.3
137.79553	0.7
146.06003	17.8
164.07065	0.8
166.08643	1.9
170.88608	0.6
188.07054	16.8
188.08746	0.9
206.08118	44.0
207.08380	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1388
Annotation	N-Caffeoylputrescine
Peak:m/z	Relative Intensity
53.03222	0.5
55.92895	0.5
56.05018	1.4
63.99550	0.6
66.34117	0.7
69.57687	4.7
73.52815	0.6
78.33822	0.6
79.05486	2.5
84.04504	29.3
98.98469	9.1
103.05457	2.0
105.07028	100.0
106.07349	1.0
120.08096	0.9
122.09669	29.4
130.04997	4.1
176.38228	0.7
205.13348	4.8
234.11244	22.5
251.13911	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	251.1641
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
53.03933	0.9
55.01875	0.6
55.05505	2.1
56.96566	2.8
57.03436	1.1
57.07078	2.2
59.04999	1.5
67.05505	4.5
69.03429	3.0
69.07082	2.5
71.04990	12.3
71.58514	0.6
71.58904	0.4
73.02926	0.8
79.05482	3.6
81.03404	1.1
81.07053	5.3
83.01325	0.5
83.04983	2.5
83.08613	1.1
85.02925	2.0
85.06539	1.0
91.05472	3.1
93.07037	4.4
95.04966	3.5
95.08608	5.8
96.08900	0.4
97.02874	3.3
97.06554	2.2
97.10175	0.4
98.98463	100.0
99.04490	0.6
102.94964	0.3
103.05473	1.0
105.07040	3.9
107.04958	3.4
107.08604	4.0
109.02875	0.7
109.06517	1.5
109.10143	3.4
109.95865	0.4
111.08080	1.0
113.05991	1.2
115.05453	0.6
116.98660	1.0
116.99502	5.0
117.07036	1.7
119.01929	1.6
119.08585	4.1
121.06501	1.4
121.10142	4.7
123.04468	0.7
123.08053	2.1
123.11692	1.4
124.05193	0.9
125.05982	6.0
125.09632	0.4
127.03945	0.5
131.01918	1.1
131.08556	2.0
133.06438	1.1
133.10118	1.8
134.99670	0.8
135.04425	0.5
135.08064	2.6
135.11726	1.4
137.05997	1.3
137.09624	4.6
137.10622	0.6
139.11234	0.5
140.01051	1.1
142.07806	0.4
143.08554	0.6
145.03438	1.5
145.06436	0.6
145.10123	4.0
146.99652	0.9
147.04501	0.6
147.08040	4.6
147.11694	1.8
148.05165	1.3
149.05974	0.9
149.09555	2.0
151.07515	2.0
151.11189	0.6
151.14876	0.5
152.04665	0.5
153.09117	0.7
157.03499	0.4
157.10139	0.7
158.67688	0.4
159.08066	0.6
159.11777	0.7
161.05983	1.3
161.09593	0.6
161.13332	0.5
163.03958	0.5
163.07585	2.1
163.11171	8.9
163.14798	0.8
165.06979	0.4
165.09169	0.6
173.01796	1.2
173.09615	0.6
173.13280	0.9
174.99161	2.9
175.11186	1.0
177.05487	1.4
177.09116	0.9
178.06306	1.0
179.14334	4.2
181.12236	2.8
182.02240	0.6
184.52736	0.4
187.14822	1.6
189.12711	0.6
189.53456	0.7
191.07031	0.6
191.14243	0.8
193.08595	0.6
195.10187	0.9
203.14354	0.4
205.08714	0.6
205.15921	0.9
207.13806	1.0
215.14343	1.7
221.80849	0.4
233.11707	0.6
233.15292	4.5
233.18962	0.7
243.57275	1.0
251.12654	3.2
251.16405	11.0
251.19987	1.0
260.06271	0.6
271.06024	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63831	0.2
53.03946	0.3
55.01859	0.8
55.05496	0.9
56.96570	0.7
57.03419	0.3
57.07055	0.4
67.05497	1.9
68.29676	0.4
69.03411	0.8
69.07065	1.0
69.72154	1.5
69.72561	0.4
71.04977	1.1
77.01601	0.4
79.05498	3.2
81.07047	3.2
83.04968	0.5
85.02879	0.4
91.05475	2.5
93.07040	2.7
95.04942	1.7
95.08586	2.1
97.02899	0.7
97.06525	1.0
98.98460	100.0
99.04443	2.7
103.05455	0.4
105.07026	4.2
107.04954	1.7
107.08588	2.6
109.06533	1.5
109.10149	0.8
111.08081	0.3
115.05502	0.5
116.98689	0.6
116.99504	5.8
117.07034	1.4
119.04937	0.4
119.08578	1.6
121.06506	2.2
121.10159	1.5
125.06003	0.4
127.07594	0.3
128.06290	0.3
129.07010	0.7
130.07773	0.8
131.08572	1.8
133.06525	0.8
133.10173	0.7
134.99649	0.3
135.08066	1.0
135.11685	1.1
137.05968	1.1
139.07513	0.4
140.01100	1.7
141.06976	0.5
143.08569	0.8
144.09320	0.6
145.06453	0.5
145.10114	8.0
147.08025	0.4
147.11652	0.6
148.08833	0.7
149.09634	0.7
155.07085	0.5
155.08414	0.3
159.08073	0.4
159.11696	2.3
163.07521	0.6
163.11176	11.3
165.12621	0.4
169.10124	0.5
173.09598	2.9
173.13330	0.4
174.99203	2.5
177.09103	0.5
177.12804	0.5
181.12242	0.7
187.11179	5.7
191.10661	1.7
197.09686	0.4
205.12230	3.6
215.10689	2.3
219.08258	0.3
223.12378	0.4
233.11739	2.5
233.15430	0.6
251.04593	0.4
251.08797	0.3
251.12457	1.2
251.16550	1.0
251.20140	0.8
252.12514	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63831	0.2
53.03946	0.3
55.01859	0.8
55.05496	0.9
56.96570	0.7
57.03419	0.3
57.07055	0.4
67.05497	1.9
68.29676	0.4
69.03411	0.8
69.07065	1.0
69.72154	1.5
69.72561	0.4
71.04977	1.1
77.01601	0.4
79.05498	3.2
81.07047	3.2
83.04968	0.5
85.02879	0.4
91.05475	2.5
93.07040	2.7
95.04942	1.7
95.08586	2.1
97.02899	0.7
97.06525	1.0
98.98460	100.0
99.04443	2.7
103.05455	0.4
105.07026	4.2
107.04954	1.7
107.08588	2.6
109.06533	1.5
109.10149	0.8
111.08081	0.3
115.05502	0.5
116.98689	0.6
116.99504	5.8
117.07034	1.4
119.04937	0.4
119.08578	1.6
121.06506	2.2
121.10159	1.5
125.06003	0.4
127.07594	0.3
128.06290	0.3
129.07010	0.7
130.07773	0.8
131.08572	1.8
133.06525	0.8
133.10173	0.7
134.99649	0.3
135.08066	1.0
135.11685	1.1
137.05968	1.1
139.07513	0.4
140.01100	1.7
141.06976	0.5
143.08569	0.8
144.09320	0.6
145.06453	0.5
145.10114	8.0
147.08025	0.4
147.11652	0.6
148.08833	0.7
149.09634	0.7
155.07085	0.5
155.08414	0.3
159.08073	0.4
159.11696	2.3
163.07521	0.6
163.11176	11.3
165.12621	0.4
169.10124	0.5
173.09598	2.9
173.13330	0.4
174.99203	2.5
177.09103	0.5
177.12804	0.5
181.12242	0.7
187.11179	5.7
191.10661	1.7
197.09686	0.4
205.12230	3.6
215.10689	2.3
219.08258	0.3
223.12378	0.4
233.11739	2.5
233.15430	0.6
251.04593	0.4
251.08797	0.3
251.12457	1.2
251.16550	1.0
251.20140	0.8
252.12514	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
56.96556	1.2
57.07073	0.7
64.90739	0.3
67.05525	0.7
69.07051	0.6
69.67493	2.3
70.06585	1.0
71.73283	0.3
73.66882	0.3
77.01595	0.4
79.05506	0.8
81.03425	0.5
81.07075	0.6
84.04511	0.4
84.08121	0.5
85.02924	0.4
86.09746	0.3
91.05476	0.8
93.07056	0.4
95.04986	0.4
97.02892	0.7
98.98465	100.0
105.07016	0.5
107.04962	0.5
110.07185	0.5
112.07650	0.4
116.98646	1.0
116.99490	5.5
121.06521	0.4
123.04424	0.4
124.68201	0.3
131.04944	0.5
134.99669	0.6
136.06184	2.0
140.01096	0.8
142.03482	0.6
146.99594	0.4
152.07091	0.5
156.05061	0.4
160.04590	0.7
161.00903	0.3
161.06006	0.4
168.05089	3.3
172.04466	0.5
174.06108	1.1
174.99240	2.5
176.81906	0.3
177.05482	0.5
178.08203	0.4
180.05028	0.5
182.06648	0.8
184.08197	0.5
186.06114	2.5
190.05519	0.4
192.05096	2.0
198.06100	2.3
200.07678	0.7
202.09239	0.9
205.05037	0.7
207.12160	1.7
210.06114	19.4
211.06291	0.7
216.07091	0.5
220.45837	0.3
220.84932	0.3
228.07172	40.6
229.07414	1.2
233.07904	0.9
242.05153	0.6
242.08640	0.4
246.08228	25.2
247.08383	0.7
251.08687	5.3
251.14513	0.8
251.16751	0.4
251.20111	0.5
252.08955	0.5
260.06174	3.0
269.09796	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	251.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.01864	1.7
55.05519	0.6
56.96296	0.6
56.96563	9.7
57.03445	2.8
58.99851	0.7
59.05005	0.5
61.02930	3.5
63.93604	0.5
69.03127	0.6
69.03430	5.9
70.41656	1.2
70.42037	1.2
71.04980	1.6
73.02909	2.6
74.06081	0.8
77.00871	1.4
81.03426	3.4
82.01434	1.2
83.04949	0.6
84.04489	0.7
84.08168	1.0
84.96017	0.8
85.02904	8.2
87.04468	0.8
89.00851	0.5
90.15747	0.6
91.02357	1.1
95.01911	0.5
97.02886	7.5
98.03203	0.8
98.97575	12.4
98.98454	15.3
99.04427	0.8
100.02465	6.3
100.97130	0.9
100.99129	0.9
101.00864	1.8
103.00642	0.6
103.03199	0.7
106.05049	0.9
109.02888	1.6
110.03143	0.8
110.03924	0.6
110.97559	1.0
112.99144	0.6
115.02410	1.7
116.98621	8.5
116.99477	1.0
118.02772	0.7
118.03516	5.1
118.98218	0.9
118.98986	0.7
119.00191	1.2
119.01901	5.1
121.01669	3.9
124.02874	0.5
125.04471	0.7
127.03913	2.0
128.98613	0.8
131.00160	1.7
131.01904	1.2
132.03436	0.9
133.01686	0.6
133.03468	3.5
134.99635	4.6
136.58868	0.5
137.00098	0.6
137.02951	1.2
139.02638	1.0
141.02985	0.6
141.03969	0.7
142.03470	1.9
142.96570	0.6
143.00157	1.6
143.01852	0.8
144.99832	4.2
145.01686	1.3
145.03452	1.1
145.05075	0.7
146.99611	2.3
147.05055	1.4
148.01982	0.7
148.03787	1.6
149.01222	2.1
149.04758	0.5
150.01678	0.8
151.04529	0.9
152.05002	0.6
154.03622	0.7
154.04713	2.1
154.54745	0.7
156.05042	1.5
157.02458	0.7
157.04507	1.2
159.05009	1.9
160.04533	2.0
161.01244	3.4
161.02982	1.3
161.05547	7.4
161.55614	2.0
162.99208	0.5
163.00900	1.5
163.02863	3.2
163.04312	4.6
165.00729	1.2
167.02275	1.1
168.01477	2.4
168.05046	7.6
170.06114	6.1
170.56180	0.7
171.05051	0.9
172.04648	1.1
172.99336	5.0
173.01167	1.2
173.02994	1.1
174.06102	2.7
175.04620	1.2
177.00751	1.0
177.02400	1.7
177.06076	1.1
179.02255	1.7
180.05028	0.8
181.03673	0.8
181.56886	1.3
182.06660	1.9
183.42189	0.5
184.08189	2.3
185.06577	0.5
186.06114	6.4
189.06111	0.7
190.05714	0.8
191.00380	4.6
191.02032	1.0
192.05064	4.6
193.03761	1.2
193.05513	0.7
195.07071	1.1
196.00931	11.9
198.06117	6.7
200.07680	1.5
202.09213	1.8
203.07684	0.8
205.01938	1.5
205.03903	0.6
207.01804	1.0
207.12083	1.1
210.06119	48.4
211.06384	1.5
214.01929	7.7
216.07201	1.2
219.02141	0.9
219.07100	4.2
224.07809	0.6
227.04338	1.9
228.03493	5.8
228.07161	100.0
229.07414	3.3
231.07051	0.8
233.07536	1.2
237.02687	1.0
242.05048	1.8
246.08231	63.0
247.08363	3.0
251.04681	2.5
251.08771	11.2
260.06165	7.3
269.05444	2.9
269.09808	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	251.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87294	0.4
53.03934	1.3
54.88249	0.5
55.01867	1.1
56.96563	5.0
57.03424	2.4
58.99869	0.6
61.02929	4.5
64.23622	0.5
69.03428	3.4
71.04986	1.0
71.57899	0.9
73.02907	2.0
77.00903	0.8
81.03415	1.9
81.07075	0.6
82.01429	1.3
83.04984	0.6
83.93081	0.5
84.08121	0.6
85.02898	5.9
87.04487	0.7
88.99165	0.6
91.02391	1.0
95.01959	0.9
97.02885	4.3
98.98466	100.0
99.04459	0.5
100.02478	9.4
100.03069	1.0
100.07619	0.5
101.00890	0.9
103.02458	0.8
109.02873	1.2
113.02428	1.0
115.02438	1.3
116.98624	2.8
116.99505	5.3
118.01138	0.7
118.03510	7.8
119.01930	4.1
120.01973	0.6
121.01682	2.3
122.04031	0.7
126.98769	0.9
127.03956	1.1
129.04066	0.5
131.01894	1.6
132.03418	0.7
133.03499	2.9
134.99693	2.2
137.02988	0.5
139.02660	0.9
139.04219	0.8
140.05014	0.8
142.03481	0.6
143.01924	0.8
144.99837	6.5
145.03465	1.6
146.04987	0.9
146.99637	1.1
147.03166	0.6
147.05087	1.5
150.01799	1.4
151.04514	1.0
154.04768	2.2
154.54878	0.7
155.04597	1.0
156.53828	0.5
157.02541	1.4
159.05106	1.4
161.01228	1.4
161.02896	0.8
161.05511	4.6
161.06555	0.5
161.55762	0.8
163.00887	1.7
163.02744	1.8
163.04482	2.0
164.05157	0.7
165.00745	0.7
166.03123	0.5
168.01437	3.9
170.06070	3.3
170.56271	0.6
172.99316	6.9
173.02928	0.9
174.99188	3.0
177.00917	0.9
177.02457	2.6
177.06158	1.0
177.99841	0.9
179.02138	0.7
181.05540	0.7
181.56883	0.9
183.05077	0.7
186.02629	0.6
186.06189	0.6
187.00897	0.9
187.04465	0.9
191.00356	7.5
191.02080	0.9
192.05113	0.6
195.07138	0.8
196.00920	16.9
197.01193	0.7
198.06149	0.7
205.01939	1.5
210.06061	3.8
214.01959	10.7
219.02509	1.3
219.07098	2.7
228.03558	6.9
228.07130	6.8
237.02945	0.8
246.04576	1.7
246.05899	0.6
246.08215	5.4
251.04880	1.3
269.05490	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.2166
Annotation	dendrobane
Peak:m/z	Relative Intensity
53.03926	0.5
55.05508	1.3
57.07079	3.6
57.18369	0.4
59.84507	0.5
67.05506	2.9
68.05036	1.0
69.07079	1.0
70.06592	0.6
70.08422	2.2
71.08627	1.9
78.57870	0.4
79.05495	3.3
79.77463	0.4
80.05005	1.2
81.07045	2.9
82.06571	1.5
82.10567	0.5
84.08144	0.5
85.02377	0.5
85.10188	1.9
91.05481	0.6
93.07047	1.5
94.06575	1.2
95.08611	2.2
96.07547	0.9
96.08127	7.2
98.06053	1.2
98.98466	83.5
101.70543	0.5
106.06555	11.2
107.08583	0.8
108.08142	0.5
109.10182	0.7
116.99509	4.5
118.06505	0.7
120.08087	2.8
122.06084	0.7
124.07570	1.0
134.09679	0.8
136.07576	1.7
138.09097	0.9
140.01089	2.2
174.99229	2.0
232.20599	4.4
243.16939	0.5
250.21664	100.0
251.22046	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	250.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.05510	2.7
55.56977	0.6
56.05038	3.2
56.96569	0.6
57.07066	1.9
65.03931	0.6
67.04256	0.7
67.05502	6.9
69.07072	2.9
70.06594	1.0
71.58121	0.9
79.05487	12.7
80.05009	0.7
81.07056	8.8
81.50590	0.7
82.06576	9.3
83.07368	1.4
83.08616	1.5
84.04508	0.7
88.08620	0.5
91.05470	3.7
93.07041	6.5
95.04967	1.6
95.08601	4.0
97.10151	0.6
98.98463	100.0
107.08579	2.7
109.10189	2.1
116.99519	5.8
119.65529	0.5
121.10148	3.1
135.11703	1.5
139.80940	0.5
140.01085	1.8
174.99207	2.1
175.62148	0.6
233.22604	0.6
250.18048	0.7
250.25284	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	250.1801
Annotation	Nupharidine
Peak:m/z	Relative Intensity
53.75956	0.5
54.95850	0.4
55.01862	1.3
55.05511	5.7
56.96532	0.5
57.03424	1.7
67.05501	2.5
69.07060	1.5
70.06583	0.7
70.25332	2.0
71.04993	1.1
73.06538	0.6
79.05497	1.4
80.04996	2.0
81.05780	0.8
81.07059	3.0
82.06577	4.1
91.05482	1.5
93.05765	1.0
93.07029	1.1
94.06564	8.9
95.07324	1.3
95.08615	0.8
96.08173	0.8
98.98463	31.2
104.44160	0.5
105.07025	2.2
106.06532	1.6
107.07340	3.8
107.08554	1.2
108.08112	19.4
109.08904	0.8
116.99512	1.3
117.07005	0.9
117.20872	0.5
118.06573	0.8
119.07320	1.1
120.08088	4.0
121.08875	2.3
122.06010	1.6
122.09662	4.5
123.10423	0.6
124.11199	2.0
124.70746	0.5
131.08562	0.5
132.08061	4.0
133.08887	0.7
134.09637	5.9
136.07559	4.7
136.11197	7.0
137.08391	2.8
140.01018	0.5
144.08130	0.6
145.08810	0.6
146.09637	1.2
148.07588	0.6
148.11244	3.0
150.09148	10.6
150.12776	16.5
150.13997	0.9
151.09827	0.9
160.07689	0.5
160.11218	2.0
161.11998	0.9
162.09233	0.6
162.12756	2.2
164.07043	1.2
164.10745	3.2
174.99229	0.9
178.08612	0.9
178.12302	2.4
179.13091	3.2
180.13829	12.4
189.06396	0.5
190.12222	0.6
192.10175	0.9
201.86717	0.5
204.17403	3.6
222.18512	35.6
223.18896	0.9
229.36110	0.5
240.61513	0.6
250.18013	100.0
251.18367	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	250.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62963	0.7
55.01864	2.9
61.28073	0.7
62.89872	0.7
65.03935	0.7
67.05495	1.8
69.03425	1.1
69.07068	25.6
69.43717	6.4
73.17554	0.7
79.05492	5.1
81.07054	2.9
83.64951	0.8
91.05482	26.4
92.05832	1.0
93.07015	1.5
95.04980	1.7
95.08590	0.8
96.08134	1.3
97.06525	21.2
98.98466	34.9
105.07047	1.0
107.04919	1.1
107.08620	1.2
109.06511	2.1
116.99498	2.1
119.04942	15.5
121.02844	1.7
134.09660	3.1
136.05182	2.2
137.05975	100.0
138.06235	1.5
145.06537	1.1
149.05971	1.2
163.03908	2.1
163.07649	0.8
174.99199	1.4
187.07535	0.8
188.07800	1.9
188.10744	0.9
190.09435	0.9
215.10750	1.5
232.17009	2.9
233.11726	47.5
234.12010	1.2
250.11583	4.3
250.14174	1.0
250.15387	1.0
250.17949	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	250.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	0.6
55.01861	0.7
55.05521	1.4
56.05039	0.7
56.96564	0.5
57.03442	1.0
58.90216	0.4
69.03423	1.1
69.07052	3.2
71.58393	0.8
72.08151	0.5
77.01593	0.5
79.05505	1.6
81.07063	0.9
83.05022	0.5
85.02931	0.5
91.05483	2.0
93.07024	0.9
94.04054	0.8
97.02887	0.9
97.06528	3.0
98.98461	60.7
99.85344	0.5
103.05460	1.5
105.07021	1.7
107.04918	0.6
107.08598	0.6
115.05466	2.3
116.05746	1.1
116.99507	3.4
117.07048	1.1
119.03539	1.6
119.04935	1.3
119.08509	0.6
120.08089	1.0
121.06513	1.3
128.06236	0.7
129.06995	0.7
130.07314	0.6
131.04922	2.1
131.08545	0.8
132.08078	1.2
132.55775	0.5
133.06471	2.0
136.06180	100.0
137.04539	1.4
137.05910	1.0
141.06989	0.6
142.07352	0.7
143.04933	2.0
143.08578	1.2
144.05307	0.7
145.06412	0.8
147.04411	2.5
147.52557	0.5
149.05957	3.1
149.12442	0.5
149.66148	0.5
152.05672	11.4
153.04095	1.4
159.08052	1.0
160.08510	0.7
161.05966	4.1
163.06293	0.6
163.07512	0.7
164.07062	2.1
165.01888	0.7
167.07027	2.0
169.10088	0.8
171.07945	0.6
172.04790	0.7
173.06042	0.5
174.07764	1.4
174.99210	1.7
177.07817	0.7
178.08623	8.9
183.02902	1.4
187.11076	0.7
189.09120	7.5
190.05774	0.6
191.10623	0.5
203.07094	0.6
204.07405	2.4
205.08235	1.0
206.11690	1.3
208.09631	0.7
215.10623	2.0
228.43404	0.5
232.13313	1.6
233.11713	10.2
243.05136	0.5
250.12944	86.0
251.13170	2.0
266.37360	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
55.36639	0.4
56.96571	3.0
70.06596	1.0
71.09384	0.8
79.05495	0.6
84.04504	4.1
84.08179	0.5
85.02909	6.5
91.05481	9.1
91.57941	0.5
93.06475	1.0
93.07046	16.2
95.04958	4.7
97.02882	1.0
98.98464	50.1
102.05551	3.9
103.05470	10.8
105.04502	0.8
112.03941	0.6
116.99522	2.9
121.06502	100.0
122.06847	0.9
123.30284	0.5
130.05002	63.2
131.05357	0.6
134.05972	0.4
136.06183	15.1
146.06041	0.7
174.99208	1.6
191.05727	0.5
201.00735	0.6
206.11790	1.7
219.01793	0.7
244.99623	2.7
245.06897	0.8
250.10786	27.8
263.00800	5.2
266.00247	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.5
53.93874	1.3
54.03471	2.5
55.01871	4.5
55.05535	1.4
56.05029	1.5
56.96571	6.7
59.06115	1.3
60.72545	1.2
63.41191	1.2
65.03935	3.0
67.05502	12.8
68.05037	6.9
69.03434	4.1
70.02942	2.8
70.06584	5.9
70.50260	2.8
70.50658	2.4
72.08141	5.6
73.08497	2.4
74.02442	62.2
75.03227	4.4
79.05486	12.1
80.05028	8.6
80.80715	1.4
81.03415	7.5
82.06577	4.0
83.04989	2.7
84.04524	3.2
85.02890	3.2
86.09683	1.6
91.05492	3.1
93.05769	1.7
94.06579	10.9
95.04971	33.5
96.04481	3.8
96.08136	1.4
97.02911	4.8
97.06549	1.8
98.21387	1.7
98.98467	100.0
99.04445	2.6
103.05462	3.6
104.04976	1.5
106.06561	16.1
107.04951	8.0
108.04497	4.2
109.05275	1.9
110.06049	20.2
110.07225	1.4
113.04773	1.8
116.99495	5.6
118.06576	3.4
119.01929	3.3
120.03269	2.8
120.04463	2.1
120.08112	17.2
121.01659	15.3
121.02435	2.1
121.06496	5.2
121.08435	2.4
122.06023	17.7
122.67641	1.4
123.04434	13.5
124.03904	1.6
124.05225	3.2
124.07551	1.9
126.05535	2.1
128.03471	5.2
128.96709	1.3
130.05025	4.4
132.04448	2.3
134.06023	15.5
135.04425	1.7
135.87416	1.4
136.06142	2.2
139.02672	11.1
140.07043	1.9
141.05431	2.2
144.08116	1.3
145.60693	1.2
146.09615	2.7
150.05536	5.7
151.03862	2.0
151.06284	2.5
152.07069	8.1
154.04955	1.2
155.05788	8.6
156.06578	3.8
159.09018	1.6
166.05074	1.7
168.06544	21.9
168.07950	1.6
179.03160	1.5
179.05811	4.5
180.06618	5.2
183.93961	1.4
186.07625	6.1
196.06027	2.8
197.06871	4.1
198.07628	6.3
201.00711	2.0
204.06889	3.3
214.07054	8.6
219.01866	1.6
223.06517	3.7
232.08145	13.2
244.99730	2.7
250.09314	19.3
250.15245	1.5
263.00735	6.6
268.08676	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	249.2213
Annotation	Heptadecatrienal
Peak:m/z	Relative Intensity
53.03707	2.0
53.03946	24.8
55.01875	10.8
55.05516	40.8
57.03430	2.3
57.07078	9.0
59.05007	1.7
61.74167	2.0
63.81855	1.6
66.14403	1.7
67.05508	64.9
69.03426	4.9
69.07072	49.3
71.04091	5.9
71.04978	3.1
71.08614	3.1
79.05493	32.4
81.03421	96.1
81.06590	3.7
81.07059	68.2
83.04988	21.9
83.08633	11.1
85.06506	3.7
85.10175	3.3
85.76633	1.9
91.05476	18.8
93.07048	26.3
95.04970	48.5
95.08610	29.8
97.06516	7.1
97.10190	13.8
99.08051	2.1
105.07044	23.0
107.08600	17.8
109.06531	14.6
109.10152	17.5
111.08116	1.9
113.09648	2.6
117.07007	2.2
119.08588	11.8
121.09451	1.8
121.10165	14.7
123.08047	5.2
123.11716	12.7
125.09628	2.3
133.10135	21.7
135.11685	7.1
137.13254	3.1
139.11197	1.8
147.11673	6.3
149.13252	4.9
151.09979	2.9
151.11191	56.6
153.12761	2.5
154.83609	1.7
161.13260	6.5
165.12767	12.7
165.16380	2.1
175.14761	3.2
177.16383	3.5
179.14328	8.7
190.93607	1.8
191.17885	2.6
193.12332	2.5
193.15923	3.2
203.08522	1.8
231.21107	11.0
249.18442	6.9
249.22147	100.0
250.18996	1.7
250.22392	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	249.1485
Annotation	Lyratol D
Peak:m/z	Relative Intensity
53.03939	6.7
53.58103	1.2
54.12432	1.3
55.01862	2.9
55.05505	13.9
56.96545	2.2
57.03413	2.8
57.07058	4.5
57.56318	1.4
59.04984	2.5
65.03927	3.6
67.01871	3.3
67.05171	2.2
67.05502	26.3
69.03429	49.0
69.07067	10.3
69.67504	8.4
71.04971	3.8
77.03884	2.1
79.05490	25.0
81.03392	3.1
81.06587	2.6
81.07057	53.0
83.04553	2.0
83.04985	24.2
83.08600	6.2
85.02902	6.8
85.06520	4.4
87.38689	1.7
91.05477	57.8
93.07040	73.3
95.04967	44.4
95.08602	35.0
97.02898	6.9
97.06501	6.8
97.10132	2.1
98.47031	1.3
99.04425	2.1
103.05456	5.6
105.04441	1.3
105.06393	2.3
105.07034	34.6
107.04970	8.0
107.08585	30.2
109.02892	8.0
109.06508	32.7
109.10160	14.5
110.07314	7.2
111.04431	4.9
111.07346	2.5
111.08073	26.3
115.05445	8.9
116.06237	7.3
117.07021	13.7
119.04936	14.8
119.08582	66.1
121.06509	18.5
121.10152	15.5
122.07275	2.3
123.04408	3.3
123.08062	5.3
123.11677	3.5
125.09587	2.6
127.03919	2.4
128.06210	15.1
129.06998	28.3
130.07724	1.9
131.04919	3.4
131.08572	28.9
131.29655	1.3
132.05727	3.4
133.06491	11.2
133.10123	16.2
135.04362	3.0
135.08035	12.6
135.11670	7.4
137.05933	8.1
137.09615	17.3
139.07503	3.4
139.11169	1.6
141.06990	12.3
142.07816	6.9
143.08556	9.0
144.05710	13.0
145.06442	10.2
145.10097	12.6
146.07260	5.4
147.04407	3.6
147.08043	100.0
147.11696	11.9
148.08423	1.7
149.09631	6.3
149.13171	2.1
151.07571	3.8
151.11096	1.9
152.06181	2.4
153.06985	3.1
155.08598	1.4
156.05652	2.8
156.09341	1.9
157.06494	12.2
157.10118	8.4
158.07237	4.1
159.08049	30.6
159.11652	6.3
160.05165	1.6
161.05925	9.9
161.09619	19.5
161.13252	13.5
163.11157	4.1
165.05469	31.3
165.06853	2.0
165.09122	1.4
169.06425	2.3
169.07663	2.1
170.07278	8.9
170.10863	3.5
171.08038	7.0
171.11604	9.4
172.05092	3.1
173.05981	4.3
175.07545	17.3
175.11119	4.0
175.14769	7.8
177.00673	1.3
177.09117	2.5
177.12683	3.6
178.06155	1.5
179.07048	7.4
185.13219	5.4
187.07526	22.2
187.14809	2.2
189.05461	5.2
189.09138	10.9
189.12741	19.6
189.16309	2.3
190.06224	2.2
191.07011	2.2
193.12276	1.9
195.11691	1.7
198.06714	2.2
199.07539	2.5
201.05446	2.3
203.07091	6.8
203.14302	14.1
203.17999	2.3
204.07799	13.4
213.12717	7.3
213.16371	5.3
216.07739	3.7
218.09294	1.6
219.10185	1.4
221.11620	2.9
231.10248	6.6
231.13780	18.0
231.17416	5.8
249.11214	93.3
249.14850	68.3
249.18419	12.7
249.21930	3.5
250.11554	3.1
250.17850	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1485
Annotation	[R-(E)]-6-(4-Formyl-3-cyclohexen-1-yl)-2-methyl-2,6-heptadienoic acid
Peak:m/z	Relative Intensity
51.02383	2.1
52.48206	1.4
53.03939	4.5
55.01889	1.4
55.05513	14.5
56.96572	2.5
57.03442	1.8
57.07069	4.0
59.04991	2.0
64.37604	1.7
65.03930	5.2
67.01858	4.5
67.05173	2.3
67.05505	32.6
69.03429	52.6
69.07059	9.2
69.17832	1.3
69.94643	8.8
71.01349	1.9
71.04984	2.9
73.25496	1.5
79.05494	26.2
81.03409	3.6
81.06580	3.0
81.07059	57.9
83.04983	25.8
83.08616	6.8
85.02914	3.2
85.06548	3.7
87.00878	1.9
88.82549	1.6
91.05485	57.9
92.05818	2.1
93.07043	62.9
95.04968	48.0
95.08606	35.3
97.02898	3.8
97.06534	4.8
99.08091	2.0
103.05472	5.0
105.04598	1.6
105.07030	39.7
107.04931	9.8
107.06915	1.5
107.08597	32.2
109.02874	6.6
109.06522	34.1
109.10147	14.4
110.07295	7.6
111.04434	3.0
111.08076	24.3
115.05461	6.4
116.06226	6.9
117.07025	10.6
119.04945	13.5
119.08579	68.3
121.06536	15.9
121.10132	15.2
123.04489	2.5
123.08058	6.8
123.11717	2.2
125.09637	3.2
127.03930	3.5
127.07542	1.7
128.06227	12.3
129.07004	23.0
130.07788	3.3
131.04904	1.8
131.08568	27.9
132.05664	2.1
133.06514	13.8
133.10143	20.0
135.04417	5.0
135.08046	12.9
135.11671	8.0
137.06004	7.4
137.09625	15.5
139.07520	3.8
139.11174	2.5
141.07001	12.2
142.07780	7.3
143.08559	8.7
144.05737	8.8
145.06516	8.2
145.10129	11.8
146.07257	4.2
147.04424	3.0
147.08049	100.0
147.11662	8.5
149.09619	6.9
149.13277	3.1
151.07530	3.0
152.62108	1.6
153.06958	1.6
153.09161	1.5
156.05644	1.6
156.09360	2.8
157.06509	10.6
157.10123	7.3
158.07295	2.2
159.08054	25.1
159.11720	4.7
160.08812	1.7
161.06006	8.1
161.09618	15.3
161.13292	11.7
163.11191	3.2
165.05475	32.1
165.06879	2.3
165.09146	3.7
169.06335	1.9
170.07285	6.4
170.10846	2.6
171.07982	8.3
171.11720	8.8
172.05127	2.0
173.06021	5.4
173.13243	3.8
174.06734	2.5
175.07512	15.5
175.11189	2.8
175.14832	9.7
177.12787	2.3
179.06992	6.7
185.13286	7.4
187.07518	18.2
187.14830	3.5
189.05475	4.1
189.09096	12.3
189.12752	16.2
189.16374	2.7
191.07086	1.8
195.83971	1.5
198.06773	1.6
199.07524	3.2
201.05286	1.8
203.07060	4.3
203.14308	17.1
203.18001	3.1
204.07809	11.3
205.08501	1.7
213.12746	7.2
213.16394	6.1
216.07848	4.1
219.10072	3.2
221.11723	3.1
221.33862	1.5
231.10185	8.0
231.13832	12.5
231.17461	6.4
249.07460	3.8
249.11227	68.1
249.14876	61.3
249.18512	16.4
249.22281	2.0
250.15242	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20732	0.8
52.05343	0.8
56.96563	41.9
67.05509	1.4
71.58756	1.1
71.95262	3.3
74.97607	2.1
81.07052	0.9
84.96040	2.1
89.52587	0.9
91.05551	0.9
93.07025	0.9
95.08616	1.0
96.98410	2.5
97.10446	0.8
114.99443	4.8
116.00123	1.3
120.28551	0.8
133.00475	5.2
146.01262	1.6
147.99211	1.2
149.84619	0.8
151.01573	1.0
159.03326	1.1
161.09592	1.1
189.56766	0.9
197.08334	1.2
207.13876	1.4
208.10004	4.6
211.06516	1.1
211.08759	1.8
224.09763	1.6
226.11137	100.0
227.09528	1.7
227.11540	2.2
242.10751	1.5
244.12213	76.4
245.12668	1.0
249.12770	4.6
249.18556	1.6
249.22083	1.2
267.13782	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	249.1484
Annotation	4-(4,8-Dimethyl-2,4,6-nonatrienyl)-2,6-dioxabicyclo[3.1.0]hexan-3-one
Peak:m/z	Relative Intensity
53.03939	6.8
55.01867	10.4
55.05506	28.6
56.96566	10.8
57.03431	4.6
57.07072	10.7
65.03938	5.2
66.86508	3.8
67.01856	9.1
67.05501	61.4
67.05843	6.7
69.03430	23.9
69.07057	21.2
70.03340	20.8
71.05002	6.5
71.08614	4.0
79.05486	36.3
81.03415	7.1
81.07048	51.8
83.04985	15.7
83.08621	11.1
91.05457	41.2
93.07042	33.5
95.04952	37.9
95.08604	45.0
97.06551	8.8
97.10199	5.3
98.21414	7.3
105.07012	33.5
107.04977	5.3
107.08597	25.4
109.06514	20.1
109.10125	24.4
111.08097	8.5
117.07018	6.7
119.04914	9.0
119.08578	57.3
121.06525	12.2
121.10123	21.6
123.08102	6.8
123.11677	4.8
128.06189	3.6
129.07022	10.0
131.08530	9.0
133.06519	9.3
133.10130	26.8
135.08017	12.6
135.11707	10.9
137.05995	11.3
137.09628	20.7
143.08574	11.6
145.10086	6.2
147.08037	100.0
147.11674	14.5
149.09612	9.2
149.13251	7.4
151.07567	4.1
151.11156	4.4
157.06444	4.6
161.09605	20.6
161.13283	19.4
165.09145	6.7
171.11659	8.8
175.07520	27.1
175.11279	5.5
175.14824	6.3
185.13249	8.3
187.07504	4.9
189.09055	6.2
189.12785	17.0
203.14328	11.2
207.13850	4.6
213.12737	11.8
231.10216	5.7
231.13753	20.1
231.21039	11.0
235.01302	3.5
249.11279	13.6
249.14803	43.2
249.18533	9.6
249.22131	46.0
249.25174	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1121
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03937	2.8
56.96549	6.1
57.07056	1.9
67.05482	7.6
69.03408	8.2
69.07036	2.9
69.32320	19.4
70.20616	1.8
79.05490	4.9
81.03413	4.0
81.07058	10.5
81.20072	1.9
82.78746	2.1
85.02886	7.0
87.00802	3.5
88.30486	1.9
89.87725	1.9
91.05467	13.4
93.07027	6.2
95.04938	4.9
95.08592	8.0
97.02878	5.4
97.06542	2.8
98.21462	3.8
98.97569	6.0
105.07034	11.0
107.04942	6.9
107.08578	6.3
109.02875	2.7
109.10139	6.5
115.05448	6.0
116.06198	5.0
116.98593	4.4
117.06977	5.9
118.08601	2.4
119.08570	7.8
121.06478	3.8
121.10139	4.6
123.08101	2.9
127.03905	5.1
128.06219	14.4
129.07016	23.5
131.04898	2.1
131.08568	19.8
133.06500	5.8
133.10130	9.4
134.99632	4.6
135.11656	6.0
137.09650	2.2
141.06963	13.1
142.07726	7.3
143.00008	2.0
143.08537	3.4
144.05695	8.4
145.05438	2.2
145.06482	9.2
146.07228	5.8
147.04416	5.3
147.07944	4.6
157.06509	11.1
158.99748	2.1
159.08061	33.3
161.05986	5.5
161.09578	11.5
163.03862	4.5
170.07280	9.1
171.08006	8.2
172.05226	4.3
173.05981	7.3
174.06715	3.2
175.07564	5.2
185.05995	3.1
187.07542	25.1
189.05478	4.3
189.09122	16.8
189.12727	3.0
193.08568	2.7
199.07515	5.2
201.05592	2.1
203.07036	6.8
204.07791	16.2
205.08516	2.6
216.07838	2.4
217.08569	2.5
219.10201	2.5
221.04514	3.7
221.11659	3.9
231.10194	9.7
231.13789	3.5
249.09146	3.6
249.11217	100.0
249.15024	5.0
249.18625	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	249.1121
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
52.89774	1.1
54.43581	1.1
57.03415	1.8
69.03417	5.1
70.71310	2.5
70.71674	2.4
70.94137	1.3
79.05479	2.1
81.03399	2.5
85.02896	4.1
87.00816	2.1
91.05482	9.6
93.07053	1.3
97.02896	2.7
99.04408	1.5
103.05431	2.2
105.07008	3.5
107.04937	3.8
109.02873	1.2
115.00098	1.0
115.05438	6.8
116.06225	5.0
117.07004	4.5
119.04915	1.5
119.08552	2.7
124.22943	1.1
127.03912	3.4
128.06224	11.4
129.07011	24.0
130.07779	1.9
131.04924	2.9
131.08563	22.6
133.06476	4.7
133.10130	2.5
137.60808	1.2
141.06992	11.9
142.07782	5.6
143.08546	4.3
144.05696	12.3
145.06458	7.7
146.07285	5.3
147.04475	1.8
147.08026	1.6
153.06970	3.8
155.06020	1.6
156.05667	3.0
157.06471	13.4
158.07277	3.6
159.08058	35.9
161.05981	4.8
161.09631	8.8
169.07631	3.0
170.07274	11.2
171.08034	7.1
172.05162	3.4
173.05957	5.2
174.06799	3.5
175.07520	3.9
187.07532	24.8
189.05511	4.6
189.09093	10.3
190.06233	1.5
191.06900	1.8
193.08522	2.1
198.06754	2.2
199.07626	2.9
201.05428	2.5
203.06981	7.3
204.07809	16.9
205.08687	2.2
216.07802	3.8
217.08777	1.8
219.10287	1.7
221.11734	3.5
231.10170	6.6
234.09033	1.3
249.11221	100.0
250.11545	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	249.1122
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
51.65388	0.8
55.01856	0.7
59.10978	0.7
62.33320	0.7
62.45500	0.6
67.05492	1.0
69.03432	1.8
70.72318	2.4
70.72657	0.7
79.05469	0.8
91.05486	11.8
97.02887	1.5
103.05452	1.6
105.07013	4.1
107.04951	2.9
107.63749	0.7
115.05454	8.0
116.06262	5.6
117.07005	3.8
128.06219	12.9
129.07016	24.3
130.07829	0.9
131.04919	2.6
131.08569	22.4
132.05653	1.3
132.08896	0.8
133.06505	4.9
133.10117	1.2
139.05379	0.9
141.05981	1.0
141.06987	14.4
141.08640	0.7
142.07826	4.5
143.08549	5.1
144.05717	12.5
145.06490	8.7
146.07306	4.5
147.04398	2.2
147.07996	1.1
152.06210	1.6
153.07010	2.1
155.06053	0.8
156.05675	2.4
157.06482	12.7
158.07288	3.6
159.04417	0.9
159.08063	35.3
160.05206	2.5
160.08563	0.9
161.06007	6.0
161.09622	9.7
169.06464	3.1
169.07626	2.3
170.07269	10.6
171.04422	1.5
171.08038	8.1
172.05222	3.6
173.05980	5.4
174.06755	3.8
175.07529	4.2
178.06223	1.5
185.05981	1.5
186.06702	1.1
187.07539	21.3
188.08208	2.4
189.05547	3.8
189.09106	10.7
190.06204	1.4
191.07117	1.4
192.07562	0.8
198.06770	2.1
199.07483	3.8
201.05466	2.0
203.07054	7.1
204.07834	17.9
205.08565	2.8
206.09430	2.0
216.07785	3.9
217.08476	0.9
218.09355	2.3
219.10132	2.4
221.08107	1.3
221.11691	3.6
230.45181	0.8
231.10188	8.0
249.11230	100.0
250.11520	1.7
260.39426	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1123
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.01847	1.9
55.05502	1.5
56.96561	1.5
57.07076	1.2
58.84306	0.9
63.76002	1.0
66.91380	1.0
67.05482	2.8
69.03414	4.4
69.07069	2.2
70.15607	2.8
70.16014	2.0
79.05492	3.1
81.03384	1.4
81.07038	4.3
85.02908	1.4
91.05475	12.2
93.07072	4.7
95.04953	2.1
95.08597	4.4
97.02863	1.7
97.06456	1.0
98.97611	1.3
103.05455	2.1
105.07034	8.9
107.04959	2.8
107.08595	4.1
109.06529	2.2
109.10155	2.3
113.09635	2.4
115.05442	6.5
116.06232	4.5
117.07016	5.6
119.08572	6.9
121.06471	2.8
121.10155	3.5
123.08040	1.8
128.06232	14.1
129.07013	24.2
130.07767	1.1
131.04918	3.5
131.08563	23.3
132.05705	1.4
133.06522	4.8
133.10126	4.6
134.99611	1.3
135.11664	1.2
137.05916	1.6
137.09573	1.4
139.07430	1.0
141.06993	12.5
141.40384	1.3
142.07808	5.7
143.08539	4.4
144.05705	12.7
145.06505	6.7
145.10112	2.0
146.07294	4.8
147.04410	2.4
147.08046	4.1
147.11711	1.9
153.06978	2.7
156.05702	2.4
157.06508	10.4
157.10103	1.9
158.07265	2.8
159.08057	36.0
160.05188	2.6
161.05980	6.2
161.09621	10.8
161.13226	2.2
169.06390	1.4
169.07616	3.2
170.07275	9.3
170.10934	1.2
171.04395	1.6
171.08040	7.8
171.11758	1.5
172.05153	3.0
173.05978	4.7
173.09683	1.5
174.06755	3.7
175.07558	5.7
175.14854	1.7
178.06223	1.1
185.13251	2.0
187.07564	24.7
189.05492	5.5
189.09109	10.0
189.12723	5.7
190.06264	2.0
191.07059	1.7
198.06833	1.3
199.07549	3.2
201.05557	1.6
203.07111	6.2
203.14302	4.4
204.07831	14.9
205.08629	2.7
206.09309	1.1
207.13896	1.5
213.12726	1.8
216.07785	4.4
217.08606	1.8
218.09470	1.3
219.10201	3.1
221.04530	1.7
221.11736	3.6
221.15308	1.5
231.10155	8.3
231.13690	4.9
234.08823	1.4
249.11232	100.0
249.14830	10.5
249.18448	2.3
250.11514	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1121
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.01860	1.4
55.05482	0.8
56.96563	1.2
57.03411	1.1
66.87258	0.7
67.05488	3.3
69.03440	1.7
69.69632	1.8
69.70042	2.7
79.05477	2.1
81.07034	2.5
85.02894	0.9
91.05479	9.3
93.07034	2.3
95.04948	0.9
95.08583	2.4
97.02866	1.0
97.06520	0.8
98.97578	1.1
103.05480	1.2
105.07029	5.4
107.04937	3.0
107.08612	1.4
109.02906	1.2
109.10149	1.3
115.05444	8.1
116.06246	5.8
117.07005	3.9
118.07678	0.9
119.04904	1.2
119.08556	3.1
121.06523	1.0
121.10181	1.1
127.05406	1.4
128.06209	11.7
129.07004	25.7
130.07788	1.6
131.04912	2.9
131.08563	20.4
132.05705	1.5
133.06454	4.2
133.10138	3.4
135.04390	1.2
135.08075	0.9
137.05983	1.0
141.06995	11.6
142.07797	5.6
143.04956	1.3
143.08557	4.0
144.05701	12.0
145.06483	7.7
145.10065	1.0
146.07280	4.7
147.04387	2.2
147.08035	1.9
152.06224	1.4
153.01941	0.8
153.06975	2.0
155.00417	0.6
155.06012	0.9
156.05658	2.1
157.06476	10.6
158.07240	2.5
159.08049	33.7
160.05197	1.7
160.08928	0.7
161.05978	5.9
161.09654	9.6
167.07048	1.4
169.06441	2.4
169.07654	1.9
169.90324	0.7
170.07249	9.3
171.04431	1.0
171.08034	8.4
172.05202	3.9
173.05977	5.4
174.06735	3.4
175.07481	4.5
178.06194	1.5
185.05988	1.1
187.05870	1.2
187.07552	21.5
188.08234	1.7
189.05417	4.4
189.09119	11.1
190.06117	1.7
191.07021	1.9
193.05096	0.9
193.08585	1.0
198.06726	2.3
199.07567	3.4
201.05519	1.4
203.07005	8.3
203.10789	0.9
204.07814	14.6
205.08571	2.1
206.09435	0.9
216.07776	3.5
217.08633	1.2
218.09366	1.1
219.10121	1.9
221.11650	4.1
231.10190	8.9
231.13759	1.6
231.17482	1.1
234.08777	1.1
249.11226	100.0
249.18491	2.1
250.11612	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1121
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
52.03830	0.8
53.03933	1.0
55.01851	1.2
55.05510	4.0
56.05045	0.9
56.96557	3.3
61.02920	0.9
67.05490	2.3
69.03426	8.9
69.07064	1.2
71.04977	1.2
74.06070	1.3
79.05478	2.3
81.03407	2.8
81.07044	2.5
83.04957	2.0
83.08610	1.0
84.04521	1.2
85.02907	9.8
86.09672	1.1
87.00797	3.7
87.04501	1.0
90.62541	0.8
91.05484	12.5
93.07024	1.7
94.42648	0.8
94.62039	0.8
95.04969	1.7
95.08591	2.7
97.02888	5.3
98.20721	2.4
98.97571	1.1
99.04445	2.6
100.11246	3.9
102.05532	0.9
103.05468	2.8
105.01855	1.3
105.07028	6.5
106.99986	0.8
107.04959	5.1
107.08550	1.7
109.02849	1.6
109.06522	0.8
110.07170	1.3
111.04490	1.4
111.79264	0.8
114.70127	0.9
115.05441	8.2
116.06236	5.1
116.98594	1.8
117.07018	3.6
119.01964	0.9
119.04930	1.7
119.08530	1.7
120.08074	2.7
121.06499	2.2
122.07157	0.9
127.03918	4.2
128.06215	11.7
129.07005	26.3
130.07802	2.1
131.04926	3.8
131.08566	22.5
132.05705	1.5
133.06503	6.7
134.99644	3.7
137.02971	0.9
137.05949	1.1
141.06984	13.5
142.07823	5.4
143.04893	1.4
143.08549	4.8
144.05730	11.9
144.13812	0.9
145.02847	1.1
145.06482	7.3
145.10144	1.0
146.07253	5.3
147.04417	3.7
147.08087	2.3
151.03966	0.9
152.06233	1.4
153.06944	2.6
155.06017	2.1
155.07109	1.5
156.05673	2.0
157.06508	12.3
158.07213	2.1
159.04445	1.8
159.08054	38.4
160.05199	2.1
160.08603	1.3
161.05989	6.0
161.09612	8.5
163.03905	2.5
167.07030	1.5
169.06422	2.4
169.07617	2.7
170.07297	9.0
171.04297	1.1
171.08018	7.9
172.05215	4.7
173.05972	4.7
174.06784	3.6
175.03874	1.0
175.07556	3.6
175.11082	1.0
177.12575	1.5
178.06163	1.3
178.46495	0.8
185.05963	1.3
187.07535	22.9
188.08359	1.0
189.05522	6.7
189.06956	1.0
189.07506	1.1
189.09096	9.9
190.06256	1.0
191.03386	1.0
191.07034	2.4
198.06801	2.4
199.07573	2.7
201.05475	1.3
203.07036	8.6
203.10623	1.0
204.07831	12.1
205.08568	2.4
207.03320	1.4
216.07791	5.1
217.08635	1.7
218.09389	1.5
219.10153	2.2
221.04422	3.2
221.06328	1.5
221.08263	1.5
221.11670	4.3
225.04272	1.6
230.11800	1.2
231.10114	8.6
234.08841	2.1
249.11224	100.0
249.18619	2.9
250.11610	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0758
Annotation	Tournefolin B
Peak:m/z	Relative Intensity
51.02374	1.0
53.03938	1.0
55.01870	5.9
55.05499	0.8
56.96566	1.6
65.03925	2.8
67.01807	0.8
67.05473	1.2
68.02603	0.8
68.99773	2.3
69.03415	3.3
69.07014	0.9
70.82549	1.9
77.62917	0.7
79.01831	3.0
79.05471	2.1
81.03401	2.6
81.07040	0.9
82.04151	0.8
83.04985	1.3
85.02890	3.0
86.09679	1.9
89.03884	0.9
91.05470	5.5
93.03397	0.7
93.07060	0.8
95.04967	1.1
96.02111	10.6
97.02886	6.4
98.97593	1.2
103.05471	11.0
105.07019	7.4
107.01312	2.2
109.02853	2.2
110.03648	2.6
110.07175	0.8
111.04440	68.4
115.05455	19.7
116.98597	1.0
117.06987	2.0
119.04937	7.0
120.08147	1.0
121.02872	1.5
121.06451	1.0
123.04485	1.1
125.02334	2.6
125.06005	1.4
127.03938	1.3
131.04927	9.9
132.05731	1.6
133.06491	6.2
134.03671	1.1
134.99625	0.8
137.05966	2.7
139.03899	71.1
140.04686	7.1
143.04938	8.3
144.05632	1.0
145.06503	1.3
146.03624	1.5
147.04401	16.9
147.07948	1.2
149.05946	1.6
151.03886	1.8
153.05432	3.6
159.04420	14.9
160.05168	3.2
161.05966	14.7
161.09576	1.0
162.03127	2.4
163.03897	6.1
163.07568	1.5
164.04596	1.1
165.05475	1.7
167.01967	1.3
167.03401	26.4
171.04405	20.2
171.05605	0.6
172.05025	0.8
175.03893	3.0
175.07590	4.6
176.04691	1.4
177.05453	16.2
178.06291	1.6
179.03375	2.1
179.06995	2.9
188.04782	3.9
189.05469	13.5
191.03435	0.9
191.07019	13.7
193.08629	1.1
199.03889	12.8
203.07013	12.9
205.04962	2.5
206.05612	0.9
207.06491	2.1
207.13922	0.9
216.04123	2.6
217.04956	26.1
218.05551	1.4
221.04424	2.8
221.07980	3.5
231.06493	7.0
249.07585	100.0
250.07939	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	249.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66368	2.3
53.03925	5.8
55.01859	6.5
55.05496	5.1
56.96569	4.3
57.03425	10.3
57.07067	3.5
60.48681	2.9
61.02915	7.8
67.05496	9.7
69.03426	100.0
69.07049	3.4
70.08926	9.4
70.09341	5.0
71.04993	8.0
71.06638	2.4
72.72472	2.7
73.02921	4.8
79.05489	8.3
81.03416	28.9
81.07056	15.5
83.01321	4.1
83.04970	11.1
83.08620	4.8
85.02900	88.3
87.00816	24.9
88.76218	2.5
91.05474	17.1
93.07028	13.2
95.04966	7.8
95.08605	10.0
97.02888	60.0
98.21359	3.9
98.97585	6.1
99.04442	20.0
105.01861	13.0
105.07014	15.3
107.04971	4.0
107.08603	12.4
109.02888	13.7
109.06490	4.6
109.10141	5.3
111.08070	4.2
115.03915	3.7
115.05460	4.5
116.06236	4.9
116.98634	6.5
117.06989	5.3
119.04883	5.2
119.08592	16.9
121.06519	3.9
121.10165	6.0
127.03921	66.8
128.06224	10.2
129.06998	12.0
131.04964	3.4
131.08560	10.8
133.06555	5.1
133.10115	7.9
135.04369	6.7
135.08025	4.8
135.11668	4.8
137.09612	3.8
141.06975	3.1
142.07739	2.6
143.08588	3.7
144.05623	4.6
145.04968	12.3
145.06479	5.1
145.10133	3.8
147.08041	22.9
147.11670	6.4
157.06451	5.9
157.10016	4.0
159.08026	18.0
160.05055	2.9
161.06004	4.6
161.09631	11.7
163.03851	3.0
165.05507	5.3
170.07323	5.5
171.08047	3.8
171.11719	3.5
173.05949	2.9
175.07599	6.2
179.07149	3.2
185.13333	3.8
187.07552	8.5
189.09081	9.2
189.12743	11.6
203.07004	3.5
203.14342	9.2
204.07762	4.6
213.12675	3.5
231.10080	4.2
231.13773	8.4
249.09091	3.6
249.11278	40.8
249.14819	34.4
249.18494	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	249.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66368	2.3
53.03925	5.8
55.01859	6.5
55.05496	5.1
56.96569	4.3
57.03425	10.3
57.07067	3.5
60.48681	2.9
61.02915	7.8
67.05496	9.7
69.03426	100.0
69.07049	3.4
70.08926	9.4
70.09341	5.0
71.04993	8.0
71.06638	2.4
72.72472	2.7
73.02921	4.8
79.05489	8.3
81.03416	28.9
81.07056	15.5
83.01321	4.1
83.04970	11.1
83.08620	4.8
85.02900	88.3
87.00816	24.9
88.76218	2.5
91.05474	17.1
93.07028	13.2
95.04966	7.8
95.08605	10.0
97.02888	60.0
98.21359	3.9
98.97585	6.1
99.04442	20.0
105.01861	13.0
105.07014	15.3
107.04971	4.0
107.08603	12.4
109.02888	13.7
109.06490	4.6
109.10141	5.3
111.08070	4.2
115.03915	3.7
115.05460	4.5
116.06236	4.9
116.98634	6.5
117.06989	5.3
119.04883	5.2
119.08592	16.9
121.06519	3.9
121.10165	6.0
127.03921	66.8
128.06224	10.2
129.06998	12.0
131.04964	3.4
131.08560	10.8
133.06555	5.1
133.10115	7.9
135.04369	6.7
135.08025	4.8
135.11668	4.8
137.09612	3.8
141.06975	3.1
142.07739	2.6
143.08588	3.7
144.05623	4.6
145.04968	12.3
145.06479	5.1
145.10133	3.8
147.08041	22.9
147.11670	6.4
157.06451	5.9
157.10016	4.0
159.08026	18.0
160.05055	2.9
161.06004	4.6
161.09631	11.7
163.03851	3.0
165.05507	5.3
170.07323	5.5
171.08047	3.8
171.11719	3.5
173.05949	2.9
175.07599	6.2
179.07149	3.2
185.13333	3.8
187.07552	8.5
189.09081	9.2
189.12743	11.6
203.07004	3.5
203.14342	9.2
204.07762	4.6
213.12675	3.5
231.10080	4.2
231.13773	8.4
249.09091	3.6
249.11278	40.8
249.14819	34.4
249.18494	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	249.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73228	0.9
52.13337	1.0
56.96574	1.6
61.04023	1.1
71.08971	2.3
82.21409	1.3
94.93015	100.0
101.00881	13.4
103.02441	1.5
116.98602	1.9
119.01922	82.8
120.02032	1.5
121.03513	1.2
131.01910	7.3
133.03459	1.7
134.99619	1.3
137.02960	21.7
142.03456	1.9
142.25571	1.0
143.01894	11.3
145.03445	3.7
149.02960	2.2
150.91931	3.4
159.01379	4.3
161.02963	43.1
170.03049	1.1
173.02992	2.2
175.04526	1.2
177.02412	13.9
179.04074	2.2
189.02419	11.0
191.04005	7.7
201.02342	1.1
206.88589	12.6
207.03545	4.6
214.96556	1.4
219.03542	2.2
231.03482	1.6
248.89621	7.6
249.04623	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	249.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	25.5
68.50623	1.1
70.27911	5.7
84.96046	2.2
98.97585	100.0
100.99149	18.1
101.00868	12.3
116.98623	89.6
119.00173	13.0
119.01926	59.4
120.01986	1.1
128.98611	2.1
131.00165	1.7
131.01903	2.6
131.60938	0.9
134.99657	50.6
137.02957	16.3
139.00893	1.2
140.00188	3.0
142.03548	1.6
143.00163	18.8
143.01865	10.3
145.03429	5.6
146.99638	3.1
149.01253	2.1
153.00740	3.9
157.03407	1.4
158.01250	3.1
158.99628	2.8
159.01401	3.6
161.01228	44.7
161.02951	41.6
162.03023	1.4
163.02901	1.0
163.04408	1.4
165.00723	17.0
172.35866	1.4
173.01222	1.2
173.02985	3.2
177.00714	6.5
177.02452	14.9
179.02266	10.6
179.03844	2.4
183.01787	18.5
183.03401	2.4
184.02879	1.2
184.04448	1.8
189.00710	22.7
189.02463	15.3
191.02502	2.0
191.03954	7.8
201.02483	3.6
207.01784	83.5
207.03514	6.9
211.00044	1.4
219.03526	3.9
225.02803	13.0
230.03349	4.1
249.04814	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.1
56.96563	47.3
57.03443	1.3
58.84446	0.7
60.95848	0.8
61.02917	1.6
69.03419	2.4
70.53382	2.7
70.98098	1.5
71.95262	1.6
74.97588	1.8
79.24473	0.7
81.03405	1.8
84.96019	3.1
85.02898	3.2
86.97609	0.8
88.99169	1.3
90.28951	0.9
97.02895	2.3
98.21228	1.3
98.97581	100.0
100.99145	15.3
101.00898	1.1
110.97574	2.0
112.99127	1.9
116.98616	72.4
117.93536	0.8
119.00180	8.0
119.01918	6.2
127.37478	0.8
128.98604	2.8
131.00163	2.7
132.98036	0.9
133.03438	1.3
134.99652	41.5
137.01151	0.9
137.02948	2.0
140.00166	2.9
143.00127	9.9
143.01891	1.6
145.01697	0.9
146.99612	5.1
149.01193	4.3
150.05479	1.9
150.99135	2.4
153.00706	5.4
155.04675	1.0
158.01279	2.6
158.99663	3.9
161.01221	30.6
161.02910	2.3
162.99173	1.4
164.05222	0.9
165.00716	14.0
170.99577	1.0
174.99226	0.9
177.00722	8.4
177.02290	1.5
179.02272	6.7
183.01782	11.8
184.02740	1.0
188.02446	0.8
189.00723	18.4
189.02365	1.4
191.02277	1.4
191.03935	1.1
193.00159	2.5
197.03275	0.8
207.01767	60.7
225.02838	12.1
230.03319	3.9
249.02759	3.0
249.08109	1.7
267.00293	1.0
267.03790	1.5
269.05493	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.8965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89331	1.4
54.52559	1.5
64.79998	1.2
70.30326	1.3
70.84626	4.2
72.52978	1.2
78.62038	1.4
94.93018	100.0
97.69424	1.3
119.01950	6.3
120.23666	1.8
137.02988	3.5
150.91945	4.6
158.97319	1.5
161.03001	2.6
164.33725	1.4
171.60840	1.4
189.02716	1.4
191.04062	1.4
206.88596	20.5
248.89607	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	248.1645
Annotation	Ketobemidone
Peak:m/z	Relative Intensity
53.94175	0.3
55.05500	0.4
56.96538	0.3
67.05492	0.4
69.75546	1.9
79.05437	0.3
81.03405	0.3
81.07054	0.6
87.19390	0.2
87.85063	0.3
89.95955	0.3
91.05470	1.0
93.07003	0.6
94.07367	0.3
95.04939	0.3
95.08595	0.6
96.23714	0.3
97.02860	0.3
98.97565	0.7
105.07014	0.5
106.07464	0.3
107.08586	0.5
108.08900	0.3
115.05414	0.4
115.38324	0.2
116.98598	0.3
117.05743	0.5
117.07018	0.4
118.06534	7.9
119.08611	0.3
120.08918	0.3
121.06524	0.4
128.06229	0.3
128.91258	0.3
129.06996	1.0
131.08560	0.8
132.04565	0.3
132.05620	0.3
132.08078	3.7
133.08891	0.6
134.09619	0.6
136.96184	0.3
141.06990	0.6
144.05624	0.3
144.08067	0.5
145.06534	0.3
145.08743	0.3
146.09619	2.8
157.06572	0.3
159.08028	1.1
160.11229	0.9
161.09645	0.4
163.03989	0.4
169.07489	0.3
172.11229	0.3
174.12793	1.3
175.07603	0.3
176.14345	15.1
187.07475	0.5
189.05498	0.4
190.08624	15.5
202.15936	2.5
203.16599	1.3
204.07921	0.6
204.10173	7.1
205.11011	1.9
206.11772	0.3
216.10081	0.8
218.11748	5.6
219.12433	0.3
232.13214	0.4
235.15695	0.4
248.16446	100.0
249.11198	2.2
249.16783	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1644
Annotation	Ketobemidone
Peak:m/z	Relative Intensity
55.05515	5.9
56.96564	3.9
57.03167	2.9
57.03431	13.5
69.30597	6.0
69.31004	26.4
79.05497	5.5
80.04981	4.0
81.07048	5.4
91.05508	4.3
93.07028	7.8
94.06541	10.7
94.59243	3.1
95.05089	3.0
96.91377	2.8
105.07017	6.3
107.08603	4.1
108.08118	3.4
115.36446	2.8
119.08565	4.7
120.08097	12.1
121.10143	4.7
122.09635	3.6
124.07572	3.1
125.09554	2.8
132.08064	9.5
134.09660	10.6
135.10419	3.6
136.07582	6.1
138.09120	13.1
144.08101	4.9
146.09671	3.9
148.11223	16.9
149.08308	3.8
150.09152	28.5
158.09712	3.3
172.11191	4.2
173.11954	3.3
174.12744	22.8
176.10609	6.7
178.12233	14.8
192.13832	43.9
194.11803	6.8
204.13904	3.4
206.11778	30.0
230.15512	8.7
241.65227	3.1
248.13899	4.7
248.16483	100.0
248.23804	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	248.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01091	0.8
52.74447	0.8
52.93559	0.9
53.03917	1.0
55.05507	7.0
55.43383	0.9
57.03432	11.4
57.07072	2.5
58.99588	4.5
61.01154	4.8
62.99065	2.0
66.94615	0.9
67.05501	26.2
69.07062	4.1
71.04996	1.6
71.08624	9.1
71.49914	1.9
76.02219	14.3
77.00635	3.0
79.05485	2.2
81.07054	4.1
83.08590	4.4
85.06526	1.0
86.99044	3.9
89.00619	16.3
91.05489	2.1
97.10183	6.4
99.02695	1.2
99.08101	4.0
103.02138	1.1
105.00093	7.7
105.07040	1.3
106.07391	1.6
107.08601	2.9
109.10158	18.0
121.06477	1.1
122.02726	53.3
127.11192	41.9
127.12148	2.0
129.06973	2.4
131.08548	1.7
141.07076	0.9
144.05721	1.2
159.08386	100.0
160.08684	1.2
187.07509	1.7
189.08963	1.3
231.10246	1.0
235.56798	1.0
238.74084	0.9
248.13293	3.7
249.11153	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	248.1129
Annotation	Valinopine
Peak:m/z	Relative Intensity
51.89716	1.8
56.96562	2.6
69.03416	2.9
69.07069	32.2
70.02949	2.7
70.06569	2.6
71.01361	4.1
71.57630	2.2
71.58002	2.1
81.03396	2.5
84.08138	4.9
86.09702	100.0
87.10020	2.3
88.04012	2.5
89.02364	3.7
91.05450	2.8
93.07064	2.6
95.08565	2.8
96.04504	4.7
98.02417	19.9
98.97642	2.1
105.07052	5.8
107.04951	3.4
110.02409	17.3
110.07139	3.4
116.03453	22.5
119.08591	7.7
120.08060	3.5
121.06484	2.3
123.04446	5.1
123.65646	1.8
124.03947	5.8
128.03439	2.2
132.10211	3.7
134.04489	16.1
136.06165	13.1
137.06004	2.3
147.11678	8.6
156.10185	9.5
163.65250	2.0
166.08640	20.7
184.09692	42.4
202.08835	4.4
202.10733	58.3
207.06519	2.1
207.13889	3.4
212.09148	3.6
230.10202	5.2
248.06282	2.0
248.13098	2.0
248.16473	8.3
249.11272	3.8
255.49075	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1129
Annotation	Valinopine
Peak:m/z	Relative Intensity
53.21468	1.0
56.05001	0.9
67.05500	1.4
69.03436	0.9
69.07063	14.7
69.57471	7.7
71.01357	9.5
72.08149	2.1
72.93796	2.2
84.08143	1.8
86.09705	100.0
88.03982	4.5
89.02381	7.9
90.94802	1.2
91.05476	1.3
96.04518	1.2
97.02876	2.6
98.02425	4.1
99.00774	1.4
100.03973	2.3
110.02399	3.7
110.07171	1.0
116.03468	7.9
120.08111	0.9
121.06479	1.2
121.08444	1.6
123.04449	0.9
124.03925	1.8
125.02382	1.3
132.10219	5.7
134.04472	5.6
135.59509	0.9
140.14354	1.3
147.04407	2.0
153.01804	2.2
154.02182	1.2
156.10210	11.3
166.08667	4.5
184.09717	9.7
186.14919	2.6
202.08827	2.0
202.10741	41.9
216.55331	0.9
221.04575	2.2
224.94804	2.1
230.10197	2.0
242.95897	2.6
248.06380	1.3
248.16473	1.4
249.15764	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	248.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	77.5
66.84443	7.6
68.91782	9.5
69.12621	7.9
70.06620	9.4
71.57645	10.8
73.75699	7.4
75.24644	8.4
78.85223	7.1
82.06565	10.4
84.08154	23.8
86.09717	69.7
90.12968	7.9
98.97594	89.2
107.15331	7.5
110.07199	8.5
116.98627	97.6
117.98022	10.0
119.01936	35.4
120.08113	17.2
120.60551	8.1
134.99652	99.2
137.02965	15.6
139.86580	8.0
142.01634	13.3
153.00705	20.2
175.32321	9.0
189.04306	19.3
206.06995	13.3
207.01904	9.1
207.05295	8.7
224.08105	23.7
230.07007	47.2
248.04286	28.1
248.08041	100.0
256.46591	8.5
266.09164	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	247.2057
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
50.21986	0.7
53.03941	2.5
55.01874	2.7
55.05513	28.8
57.03428	1.5
57.07080	1.3
67.05508	14.4
69.03454	1.4
69.07059	5.2
71.05000	2.2
74.50211	0.7
79.05496	42.4
80.05839	0.7
81.03426	1.4
81.07056	15.3
83.04982	2.9
83.08622	3.7
83.63962	0.7
85.06558	0.8
86.10117	0.8
91.05477	12.5
93.07046	24.4
94.65894	0.8
95.04991	4.7
95.08608	10.1
97.06524	1.4
97.10177	7.3
97.70851	0.7
98.20694	1.6
105.06383	1.0
105.07040	10.0
107.04962	39.7
107.08598	19.7
109.06506	1.8
109.10153	8.0
111.08098	1.1
117.07033	4.1
119.08582	6.1
121.06523	2.9
121.10145	13.3
123.08045	1.3
123.11737	1.7
125.09610	2.5
129.07025	0.9
131.08575	6.4
133.10156	6.3
135.11671	5.3
137.09624	1.5
143.08562	0.8
145.10138	3.1
147.11688	3.2
149.09627	100.0
149.13219	2.4
150.09943	1.8
151.11194	1.0
159.11671	2.7
161.13287	2.4
163.11172	3.9
163.14838	1.1
173.13290	3.2
175.14700	0.9
177.12755	2.3
187.14859	1.4
189.16508	1.1
191.14389	1.0
201.16486	0.9
229.19505	5.1
230.03363	0.7
244.66751	0.9
247.16666	1.8
247.20581	71.6
248.20888	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.1
55.01855	3.1
55.05499	5.8
56.96555	2.7
57.03438	2.2
57.07052	2.6
65.03925	2.0
67.05508	13.9
68.99783	10.0
69.03409	4.9
69.07072	11.0
69.79866	10.5
71.01354	2.0
79.05483	6.5
81.03395	3.3
81.07056	17.9
83.04961	2.8
83.08600	2.1
85.02884	1.8
86.09701	35.7
88.57471	1.7
91.05484	10.6
93.07062	10.7
95.04955	5.8
95.08607	22.2
96.04504	2.2
97.02892	3.1
98.02434	3.5
98.21556	2.3
101.03542	1.6
103.05463	3.2
105.07020	17.4
107.04951	2.8
107.08582	15.8
108.04430	1.6
109.02893	3.8
109.06505	5.6
109.10160	23.4
110.02375	6.3
111.04427	5.0
115.05437	4.5
116.03435	5.9
117.07017	7.6
119.08583	33.2
120.08036	2.1
121.02830	3.2
121.06512	4.5
121.10142	11.7
123.04401	5.3
123.08047	5.3
123.11690	15.1
125.02324	2.8
126.50126	1.6
129.06955	2.7
131.04892	6.1
131.08560	5.3
133.06436	3.0
133.10114	17.2
135.04419	3.9
135.11685	23.6
137.09641	4.9
139.03967	9.8
145.06502	15.5
145.10112	4.5
147.04350	2.4
147.11644	4.8
149.05997	2.3
149.09702	1.8
149.13248	2.7
149.31189	1.6
155.04900	10.4
157.06454	1.7
157.10121	3.3
158.07251	1.8
159.04466	2.4
159.08031	4.4
159.09213	2.2
159.11678	6.8
161.05986	2.5
161.09663	2.9
163.03838	3.5
163.14822	4.6
165.08998	2.2
165.16360	7.5
166.08601	6.9
173.05995	23.1
173.13208	3.9
174.98969	1.7
175.14835	29.4
179.03346	3.5
180.52776	2.0
183.04391	15.9
183.11601	2.7
184.09683	11.8
187.03905	5.9
187.11177	3.7
188.07135	1.5
191.07047	2.3
193.15886	16.9
196.08847	1.8
201.00809	1.7
201.05455	26.5
201.12703	4.2
202.10724	14.6
205.04897	3.4
211.16876	19.0
219.06516	3.1
219.13809	1.8
224.22418	1.6
229.04961	37.8
229.12233	4.9
230.05273	2.5
247.06020	100.0
247.13167	12.3
248.06392	3.8
248.13828	2.0
269.16373	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1329
Annotation	Xanthatin
Peak:m/z	Relative Intensity
53.19491	2.6
53.97438	2.5
55.01869	3.0
55.05497	7.5
56.25001	2.4
56.96554	5.5
60.21453	2.6
60.54274	2.5
67.05499	11.4
69.03422	7.5
69.07066	5.6
70.06586	2.7
70.13807	13.6
77.90810	2.6
79.05495	18.3
81.07056	48.2
83.04945	3.1
91.05477	34.8
93.07037	23.3
94.21171	2.6
95.04951	8.0
95.08611	13.5
96.13734	3.3
103.05450	3.6
105.07025	46.7
107.04961	7.5
107.08597	20.1
109.06509	20.4
109.10133	6.3
111.04469	3.8
114.19260	2.7
115.05450	5.3
117.07032	22.4
119.04940	3.9
119.08573	23.7
121.06507	10.4
121.10131	5.5
123.04410	3.6
123.08005	3.3
128.06236	23.5
129.06999	17.4
130.07811	5.7
131.08557	50.5
133.06508	7.8
133.10136	13.3
135.08086	5.5
135.11685	8.5
137.05986	4.2
137.09602	3.9
137.20969	2.5
141.06995	11.0
142.07784	9.9
143.08557	47.7
143.20819	2.9
144.09349	5.9
145.06479	17.0
145.10123	25.6
146.07109	4.1
147.08002	7.9
147.11723	5.0
149.05904	2.9
149.09570	4.9
153.07025	7.7
155.08533	15.4
156.09377	4.0
157.10149	20.5
158.10957	4.1
159.08049	30.3
159.11682	22.2
161.05971	3.8
161.09604	8.9
163.07516	4.0
168.09369	22.6
169.10104	8.6
171.08060	9.6
173.05939	5.3
173.09657	8.7
173.13257	18.5
175.11177	11.4
183.11694	38.7
185.13300	4.3
186.10316	3.3
187.07532	15.1
187.11192	45.5
189.09102	27.7
191.06931	4.6
201.12752	70.7
205.12132	4.6
211.11212	11.9
219.13748	5.5
229.12228	100.0
229.19556	3.2
230.12581	3.6
247.06053	5.1
247.13264	64.1
247.20453	3.6
247.24597	21.0
248.13818	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	247.1328
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03949	2.8
55.05507	6.1
55.15392	1.4
57.07061	1.5
59.96016	1.3
60.04535	7.0
65.03931	4.7
67.05495	5.4
68.99785	1.8
69.03087	1.4
69.03429	21.7
69.07045	3.0
69.47118	11.1
71.04963	1.3
79.05474	7.8
81.07062	9.3
82.06047	1.2
83.04980	23.7
84.66240	1.3
86.16642	1.4
88.03976	3.6
90.40791	1.2
91.05476	26.1
93.03394	4.5
93.07040	12.3
95.04967	5.9
95.08580	2.2
97.02896	5.9
97.06504	1.9
102.05539	26.8
103.05465	1.3
105.07033	16.6
107.04925	4.4
107.08596	14.9
109.02885	9.4
109.06527	11.3
109.10163	4.0
111.04399	4.5
111.08075	3.0
115.05419	4.4
117.07019	14.4
119.04909	1.8
119.08579	16.2
121.02822	3.6
121.06510	18.2
121.10116	5.2
123.04425	1.5
123.08041	4.4
125.05977	1.4
128.06218	4.0
129.06099	1.2
129.07002	7.3
130.07755	2.2
130.13416	1.3
131.08574	18.9
132.05673	3.1
133.06433	2.8
133.10103	10.2
135.04340	1.8
135.08046	28.8
135.11760	1.5
137.05952	5.1
137.09587	4.0
139.03870	1.7
141.06996	3.7
142.07744	4.3
143.08549	11.5
144.05760	2.2
144.09335	7.8
145.05428	1.4
145.06491	17.1
145.10115	11.5
146.05971	1.5
146.07243	2.0
147.08017	5.3
149.09607	24.7
150.10397	2.4
151.11171	3.9
153.06941	3.6
153.08990	2.2
154.07793	1.7
155.08508	5.6
156.09183	1.5
157.06493	3.1
157.10107	5.7
158.07217	3.3
158.10921	13.3
159.08037	13.2
159.11685	29.0
160.08823	7.4
161.09641	7.2
163.03932	1.5
163.06285	2.0
163.07532	20.4
163.11237	2.4
165.09079	1.6
168.09358	6.1
169.10089	1.9
170.10886	3.9
171.07976	8.4
171.11699	1.7
172.08817	21.1
173.06052	1.4
173.09616	32.5
173.13249	30.9
177.09161	1.5
181.06490	3.8
183.11700	9.4
185.09634	2.9
185.13147	2.5
185.99287	1.4
186.10394	24.2
187.07564	3.8
187.11180	100.0
188.11511	3.3
189.09111	3.6
191.07028	50.2
193.10158	1.6
196.08804	5.3
199.07503	3.1
201.12750	50.0
202.13062	1.4
203.14352	1.6
205.12190	5.0
211.11131	11.5
214.09915	4.5
219.13785	5.7
219.56403	1.3
229.12225	58.1
230.12601	1.6
247.05986	2.3
247.13277	78.0
248.13504	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1328
Annotation	[2R-(2alpha,4aalpha,8abeta)]-1,2,3,4,4a,7,8,8a-Octahydro-4a-methyl-alpha,8-bis(methylene)-7-oxo-2-naphthaleneacetic acid
Peak:m/z	Relative Intensity
57.49861	5.5
57.50187	5.5
69.03411	20.6
70.83487	18.0
74.31441	6.5
79.05495	11.8
83.04975	23.1
84.94757	6.1
88.39301	5.9
88.39876	6.4
91.05470	22.3
93.07066	11.0
97.02898	14.9
105.07040	15.6
107.08593	14.3
109.02866	11.9
109.06499	13.9
117.07009	17.0
119.08552	22.3
121.06510	19.5
121.10188	6.2
129.06996	14.4
131.08530	14.9
133.10033	9.7
135.08063	40.3
137.09630	8.0
141.06859	7.4
143.08553	14.2
144.09369	7.1
145.06482	13.4
145.10152	14.8
147.07990	6.4
149.09613	22.8
150.88467	6.5
155.08536	7.4
158.10857	11.2
159.08037	12.3
159.11685	23.1
160.08769	7.6
163.07524	23.0
168.09383	10.1
170.10892	9.1
172.08752	22.6
173.09615	28.3
173.13290	24.4
183.11615	20.2
186.10425	18.7
187.11183	100.0
189.09128	9.3
191.07005	64.6
201.12724	50.1
211.11183	17.3
219.13774	8.8
229.12263	79.9
247.13298	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	247.1328
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
52.54765	1.3
53.03940	7.9
55.01865	6.5
55.05502	8.4
56.96545	5.4
57.03430	1.7
57.07057	1.4
58.24754	1.2
59.04995	7.2
65.03931	4.0
67.05504	34.1
68.99774	3.5
69.03426	34.1
69.07066	16.0
71.04981	2.0
71.58160	2.1
75.47292	1.3
79.05484	14.5
81.03410	8.7
81.07053	42.2
83.01359	1.7
83.04979	23.7
83.08620	3.3
85.02895	5.2
86.06075	1.7
86.09695	1.5
87.02689	1.6
91.05479	25.9
93.07041	19.5
95.04968	10.0
95.08605	58.6
97.02885	19.9
97.06526	25.1
98.03219	1.7
98.06027	1.5
98.97568	3.5
103.05450	2.9
105.07032	25.6
107.04961	6.0
107.08584	21.5
108.04472	2.5
109.02866	14.2
109.06516	42.9
109.10152	55.5
110.07322	3.1
111.04440	49.6
111.05209	2.7
113.02376	1.7
115.05453	7.3
116.06252	2.2
116.98576	4.6
117.07011	15.3
119.01797	1.8
119.05030	1.4
119.08576	33.7
121.06490	13.3
121.10142	7.9
122.07289	15.6
123.04431	19.1
123.08070	23.5
123.11663	2.5
124.08845	85.7
125.02345	5.9
125.05970	5.7
126.05502	2.8
128.06224	6.5
129.07007	10.2
130.07745	3.5
131.04915	2.0
131.08563	19.0
132.28023	1.5
133.06487	5.5
133.10135	8.7
134.99626	3.4
135.04430	2.8
135.08057	19.0
135.11658	4.1
137.02345	11.3
137.05972	29.7
137.09613	100.0
138.04355	1.7
139.03870	2.9
141.06941	4.0
142.07750	2.9
143.08534	11.5
144.05672	3.1
144.09323	12.5
145.06468	11.5
145.10114	11.3
146.07262	2.1
147.08008	6.7
149.05975	7.4
149.09645	7.2
150.06738	2.6
151.07541	58.7
153.05453	13.1
153.06935	3.6
155.08542	4.1
157.06506	2.1
157.10086	4.1
158.07260	2.6
158.10924	7.8
159.08073	14.5
159.11685	28.3
161.05995	1.8
161.09578	10.9
161.13202	1.6
163.03870	3.6
163.07542	16.2
165.09103	3.5
167.08636	1.4
168.09332	4.0
169.10088	1.9
171.08011	6.4
171.11697	1.7
172.08838	7.9
173.05931	3.1
173.09612	11.0
173.13252	16.1
174.06790	2.1
175.07527	3.2
177.05447	22.9
177.09114	2.1
181.06503	1.5
183.11691	6.3
185.13304	3.1
186.10406	7.7
187.07520	6.2
187.11179	56.0
188.11601	2.8
189.09091	36.6
191.07004	8.8
192.05495	1.7
193.10135	1.7
196.08784	2.0
201.00653	1.7
201.12746	25.2
203.14201	2.4
205.08598	8.1
205.12254	7.1
206.05644	1.9
211.11150	6.2
217.02747	1.5
217.12285	3.4
219.13736	3.9
223.02835	3.2
224.03558	13.2
229.12221	30.5
229.14249	2.3
237.47458	1.6
239.05853	7.3
242.04584	10.3
243.05025	2.1
247.05917	3.9
247.09547	3.7
247.13268	49.8
247.16858	3.4
248.13577	2.3
257.06934	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	247.1329
Annotation	E-7,12,13H-5-Dehydro-12-oxolasiosperman
Peak:m/z	Relative Intensity
53.03942	7.8
55.01866	8.6
55.05510	8.2
56.96556	4.5
57.03432	2.6
59.04992	3.4
64.72372	1.3
65.03933	2.7
67.05501	32.9
68.99773	3.6
69.03426	35.6
69.07073	14.9
69.94793	8.1
71.04983	1.8
78.03795	1.3
79.05134	1.4
79.05499	16.0
80.80260	1.3
81.03401	6.1
81.06580	2.7
81.07053	43.3
83.04980	22.2
83.08611	1.9
85.02882	4.0
91.05480	26.8
93.07041	18.0
95.04966	12.3
95.08608	51.0
97.02892	16.8
97.06521	18.7
98.97553	2.3
99.04443	2.2
103.05462	3.5
104.06255	1.9
105.07025	22.6
107.04945	6.4
107.08591	22.8
108.04447	2.2
109.02868	13.3
109.05797	2.8
109.06515	46.9
109.10152	53.2
110.07316	3.0
111.04443	47.2
115.05432	7.5
116.98615	2.6
117.07007	11.6
119.04890	1.8
119.08579	34.3
121.05904	1.1
121.06522	11.6
121.10134	7.2
122.07302	13.3
123.04439	19.7
123.08072	24.9
123.11708	2.4
124.08847	71.9
125.02351	3.3
125.05976	4.4
126.05490	2.6
128.06212	6.1
129.07031	10.1
130.07759	1.8
131.04929	3.5
131.08556	18.7
132.05659	1.9
133.06485	5.2
133.10135	11.9
134.99631	2.8
135.08057	17.4
135.11684	1.9
137.02347	10.3
137.05009	2.3
137.05989	29.2
137.09615	100.0
138.04457	1.6
138.09964	1.4
139.03845	1.7
141.06949	4.3
142.07724	2.3
143.08559	11.1
144.05728	2.1
144.09340	14.1
145.06471	10.3
145.10143	12.1
146.07295	1.5
147.08028	5.3
149.05989	8.2
149.09598	6.5
150.06773	2.8
151.07539	50.9
153.05444	11.5
153.06818	3.0
155.08546	3.4
156.09277	1.6
157.06514	1.7
157.10136	3.9
158.07242	2.4
158.10912	6.0
159.08054	13.3
159.11690	27.3
161.05977	1.9
161.09651	9.5
163.03865	4.3
163.07526	16.8
165.09094	3.5
168.09334	4.6
169.10072	2.3
170.10867	3.1
171.08061	4.9
172.08789	7.5
173.05927	2.6
173.09628	6.8
173.13257	15.9
174.06805	2.4
175.07506	2.6
177.05473	17.9
177.09053	2.0
177.12759	1.5
181.06409	1.7
183.11690	5.6
185.09590	1.8
185.13145	2.5
186.10446	7.2
187.07553	5.7
187.11186	53.8
189.07404	2.0
189.09109	37.1
191.06989	8.5
193.10040	1.7
201.09076	1.7
201.12747	25.2
202.09848	1.6
202.13467	2.2
203.14268	2.0
205.08588	9.0
205.12212	7.4
211.11064	7.2
214.09818	2.1
217.08723	2.7
217.12215	4.7
219.13742	3.6
224.03551	11.4
225.03841	1.7
229.12215	28.7
239.05858	9.4
240.06184	2.1
242.04623	6.9
247.05908	3.9
247.09619	3.2
247.13278	50.3
247.16902	3.1
257.06873	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	247.1329
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
55.01872	9.2
55.05498	14.8
56.41082	2.9
56.96553	7.1
57.03419	6.0
65.03925	4.4
67.05512	22.4
68.99790	8.7
69.03432	30.5
69.07069	7.2
69.90051	8.4
69.90464	9.3
71.04969	3.8
72.08146	5.2
79.05482	20.4
79.52171	3.1
81.03409	8.1
81.07051	16.7
83.04966	13.9
84.08128	4.2
85.02896	6.7
85.06521	3.4
85.86125	3.2
86.09676	3.9
86.46727	3.4
91.05489	37.6
93.07044	23.3
95.04980	38.0
95.08636	15.5
97.02882	9.7
97.06526	7.7
103.05431	6.1
105.03360	3.6
105.07033	65.5
107.04942	6.3
107.08581	17.4
109.02848	5.4
109.06514	26.4
109.10162	8.1
111.00812	5.0
111.04450	10.2
115.05441	14.0
116.98615	5.5
117.07007	15.8
119.08586	38.2
121.02852	23.3
121.06473	23.8
121.10129	10.7
121.11449	3.2
121.25595	3.0
123.04406	10.6
123.08076	28.8
128.06189	10.7
129.07013	17.4
130.06557	5.1
130.07761	6.6
130.99304	3.3
131.04919	5.8
131.08530	24.5
133.06477	10.7
133.10164	19.2
135.04427	5.0
135.08020	12.7
137.09576	7.0
141.06963	8.1
142.07764	16.1
143.08548	15.1
144.09306	7.7
145.06483	16.8
145.10103	25.4
146.07152	5.7
147.04337	3.5
147.08047	18.0
147.11671	11.1
149.05988	5.6
149.09625	7.2
153.01843	24.3
155.04924	7.0
155.06123	4.1
155.08478	9.8
156.09323	11.2
157.10114	23.5
158.06026	6.9
158.07245	9.9
159.08052	25.1
159.11745	20.2
160.08878	6.4
161.05992	5.0
161.09622	17.5
163.03914	8.9
165.09128	19.0
168.09367	7.6
169.06570	3.8
171.08049	7.4
171.11652	11.7
172.08859	10.6
173.05989	10.4
173.09621	17.2
173.13252	11.5
174.06795	4.8
175.07533	5.8
175.08833	4.0
175.11177	14.8
183.04335	4.7
183.11667	9.9
185.09650	8.0
186.10321	6.5
187.07562	4.5
187.11198	29.2
189.05446	4.4
189.09105	9.4
191.07050	5.1
195.08009	4.0
196.08835	9.1
199.11232	16.5
201.05411	12.5
201.08995	7.3
201.12706	30.0
203.10641	9.2
211.11191	14.7
217.12225	14.4
219.10208	3.5
219.13786	4.3
229.04880	24.1
229.08601	4.8
229.12202	24.5
247.06015	100.0
247.09622	6.1
247.13200	66.8
248.12762	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	247.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70057	2.4
55.93771	2.6
56.96558	4.2
58.61679	2.2
62.95653	2.1
71.28214	4.2
72.08159	2.2
74.91856	3.0
79.34637	2.3
81.76161	2.0
101.00889	3.9
110.47108	2.2
115.02428	3.6
119.01923	28.5
121.01701	2.5
133.03313	3.7
137.02937	6.3
161.02998	5.0
183.01857	2.5
187.00833	3.4
215.00418	6.2
229.03194	37.2
247.04265	100.0
255.51497	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.0
56.05025	1.9
56.96566	13.9
57.03436	1.6
69.03410	1.4
70.06586	3.0
71.10284	3.3
72.08155	26.7
73.02945	1.9
82.06576	2.1
83.04965	1.4
84.04497	13.8
84.08138	2.8
85.02887	1.4
86.09689	2.6
88.03976	1.6
88.99149	1.3
97.02907	1.4
98.06020	1.1
98.97571	4.8
100.07628	6.3
101.00864	2.0
111.24188	1.2
112.07596	1.1
116.98618	4.3
118.08658	13.7
119.01935	8.0
121.01658	2.7
128.02315	1.4
130.05008	2.0
130.09746	1.2
131.01913	1.6
133.01656	1.1
133.03456	1.9
134.99651	2.9
137.02937	1.9
142.08650	1.2
145.03448	3.1
157.03468	1.6
158.06032	1.5
161.02942	2.7
162.99207	1.6
165.00725	2.8
167.03217	1.8
173.03058	1.7
175.02867	1.9
175.04507	1.9
184.09746	4.3
187.00845	1.6
187.02397	2.8
193.00291	2.3
201.12369	2.9
215.00385	2.7
221.05119	1.5
223.01242	3.3
229.03200	30.5
230.10187	2.9
247.04262	100.0
247.08002	17.6
247.13058	4.4
248.04477	1.4
252.71461	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
55.05507	1.5
56.05019	1.2
56.96563	100.0
57.03756	0.6
63.10398	0.7
67.05523	1.0
69.03440	0.6
69.07071	1.4
70.06590	2.8
70.98116	6.0
71.30550	0.8
71.95261	1.0
72.08156	11.1
72.08539	0.8
73.02892	0.6
74.02432	1.0
74.97604	7.1
81.07047	0.5
83.04974	0.5
83.38231	0.6
84.04510	6.1
84.08147	2.8
84.32297	0.6
84.96039	5.2
85.02908	1.2
86.09699	9.7
86.97585	1.1
87.10110	0.6
88.03999	3.9
88.99156	4.9
92.98659	1.2
97.02923	1.3
97.99200	0.9
98.97593	2.5
100.99137	4.5
102.05563	1.0
102.97086	0.9
107.00222	3.8
110.02415	0.6
110.97595	1.4
112.95491	0.7
114.06680	0.7
116.07111	0.6
116.98627	2.9
118.08646	4.1
119.00176	8.3
119.01910	0.9
120.08090	0.6
121.03571	0.6
128.98579	5.7
130.05002	1.1
130.96559	1.8
132.10219	2.6
133.01704	3.1
134.99670	3.1
135.03160	0.6
137.01256	2.1
141.10246	1.5
144.98080	11.9
145.06602	0.6
146.99640	8.5
148.97603	4.6
150.96957	1.1
151.02783	1.1
153.00644	1.0
153.01894	0.6
161.01247	2.9
162.02983	0.7
162.99136	29.9
165.00780	2.3
166.08670	1.3
166.98708	2.5
174.09154	0.7
176.73674	0.5
179.02357	1.5
181.00191	22.1
182.00502	0.7
184.09712	1.9
186.00826	0.9
186.99303	1.5
190.06371	0.6
199.01228	3.1
199.24072	0.6
201.12247	3.0
204.01744	1.0
205.00197	17.6
210.94717	0.6
212.09303	0.8
223.01247	53.2
228.01869	1.2
229.12070	0.7
230.10388	1.4
241.02309	9.6
246.02779	3.2
247.01186	0.7
247.06256	0.9
247.13025	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.186
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
51.08582	0.3
54.98486	0.4
55.08393	0.4
55.65758	0.4
57.16476	0.4
67.63681	0.4
69.49048	2.4
70.06586	0.4
86.09704	100.0
87.10050	0.5
100.75384	0.4
110.05258	0.4
115.05508	0.5
130.06517	1.4
132.08095	4.6
132.09087	0.4
132.09270	0.5
132.10179	3.7
142.06474	0.6
156.08165	0.4
157.07573	0.6
159.09187	8.2
160.07549	1.0
160.09544	0.5
184.07587	1.3
185.07111	3.5
199.17999	0.9
200.07115	0.5
201.10223	1.0
227.08212	3.7
245.04494	1.2
245.09210	1.3
245.11586	0.7
245.18657	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	245.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	19.1
57.07053	12.3
59.23625	7.9
60.76006	7.1
62.52733	8.0
67.05495	55.2
69.07057	16.3
69.26508	100.0
79.05478	38.9
81.07066	59.6
91.05484	52.2
93.07056	51.4
95.08600	64.9
105.07035	67.9
107.08578	33.9
109.10145	24.0
119.08591	52.3
119.38438	9.3
121.10120	39.5
133.10153	62.9
135.11661	27.2
135.12608	9.1
137.13269	9.6
142.65338	7.9
147.11679	37.5
149.13258	15.5
161.13277	51.4
163.14828	24.9
175.14816	28.0
189.16414	11.3
203.17978	13.5
227.96959	9.4
233.88243	8.6
245.22670	94.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27974	3.8
56.96586	4.1
71.57191	4.8
72.08148	4.7
82.06583	47.4
84.08140	6.1
93.24095	3.5
97.02862	4.6
98.97663	4.6
100.07621	100.0
101.00866	5.3
119.01919	25.3
120.02019	17.2
121.01630	5.3
131.01894	6.6
132.05110	5.9
133.00801	3.9
134.34445	3.9
139.02618	3.7
145.03491	7.5
146.03642	5.5
155.53957	3.7
157.03442	5.6
158.03661	6.0
161.02994	6.9
162.03265	7.5
170.09879	4.0
186.03113	20.7
186.06284	3.6
187.02693	3.7
187.69856	4.0
198.03154	7.6
204.04327	6.5
216.04324	3.8
228.07161	30.0
246.05420	12.2
246.08165	64.8
246.18105	4.8
247.04311	8.4
247.08052	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	245.1858
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
53.83038	0.5
56.05030	0.7
56.96568	1.1
57.05808	0.7
59.43583	0.5
60.64682	0.6
67.05473	0.7
69.07063	10.7
70.06591	1.6
71.57727	0.9
71.97537	0.5
72.08145	0.7
79.05498	0.6
81.07076	0.6
84.08149	2.9
86.06057	0.9
86.09702	100.0
87.10044	1.1
88.04003	0.8
91.05493	0.8
93.07030	0.8
97.06509	0.5
107.04946	0.6
107.08610	0.7
115.05476	0.7
116.00735	0.5
121.06509	0.9
129.10199	1.0
130.06528	2.1
131.08516	0.6
132.08096	2.7
132.10211	1.9
134.99666	0.5
138.46611	0.5
144.08058	1.0
153.01825	0.6
156.07930	0.6
157.07657	0.9
158.05951	0.7
159.09189	6.2
160.07581	0.7
172.07683	0.6
184.07564	0.6
185.07137	2.4
199.03918	1.1
199.17909	0.9
200.07098	0.6
201.10223	0.7
210.18486	0.5
227.08107	1.9
245.04449	6.3
245.09254	0.8
245.18678	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.186
Annotation	NH-DVal(NMe)-Val-OMe
Peak:m/z	Relative Intensity
56.05016	0.3
56.96543	0.4
57.05808	0.4
58.06592	0.6
69.07066	12.6
70.93138	0.7
86.09702	100.0
87.10017	0.7
98.97591	0.4
102.04354	0.3
111.16666	0.3
116.98650	0.4
132.08127	0.9
132.10204	1.8
158.57033	0.4
159.09190	2.1
185.07143	1.2
199.18086	0.6
223.56598	0.4
226.71492	0.4
227.08284	0.4
245.04552	1.2
245.13547	1.6
245.18593	2.2
262.35550	0.4
263.93045	0.3
266.03516	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.117
Annotation	5-Hydroxybisphenol A
Peak:m/z	Relative Intensity
53.03949	5.6
55.01855	8.7
55.05498	7.3
58.55624	2.5
59.70335	2.0
62.39861	2.2
63.24226	2.1
65.03922	3.3
67.05491	9.6
69.03114	3.1
69.03428	26.2
69.07061	2.5
69.63319	3.9
69.63731	13.1
79.05495	18.2
81.07057	14.4
81.51675	2.3
83.08627	3.7
87.04458	5.7
91.05484	23.0
93.07067	14.8
95.04965	11.3
97.02889	6.4
97.06526	39.9
98.21496	3.0
103.05437	3.3
105.07034	24.4
106.24693	2.1
107.04942	4.1
107.08591	27.3
109.02889	17.5
109.06504	6.6
111.04443	15.4
111.08080	3.2
115.05436	9.4
117.07004	8.9
119.04936	2.3
119.08604	16.5
121.06489	10.7
123.04411	22.4
128.06200	23.9
129.07065	12.6
130.07669	2.8
131.08592	16.9
133.06470	4.5
133.10112	6.9
134.04469	5.3
135.08052	61.7
137.02371	2.8
137.05968	6.8
139.03903	3.9
141.06987	14.3
142.07788	23.6
143.08585	27.6
144.09361	6.0
145.06511	9.4
145.10138	8.1
146.07217	3.4
147.08067	12.5
147.11739	3.9
149.05957	7.4
149.09595	3.5
153.06990	4.4
154.07706	3.4
155.08559	5.0
156.09349	33.6
157.06488	3.3
157.10144	23.5
158.07214	6.5
159.08034	10.4
159.11717	12.7
160.08777	4.5
161.09613	9.9
163.07541	5.8
165.07010	8.5
166.07813	13.8
169.06464	12.9
170.07228	3.2
171.08014	12.7
171.11679	27.1
172.08748	3.3
173.09682	4.4
174.06741	2.7
175.07562	10.0
175.11194	7.5
181.10136	16.2
183.08029	3.4
184.08824	21.3
185.09634	19.2
187.07603	3.9
187.11200	7.0
188.08345	9.1
189.09077	7.0
189.12749	6.9
197.06044	3.3
199.07558	12.9
199.11176	50.8
202.09886	6.6
203.10664	100.0
209.09683	9.6
212.08276	11.0
215.10637	3.0
217.08638	5.2
217.12242	44.8
227.10657	50.0
245.11737	63.3
245.18907	2.6
246.14725	4.3
254.24750	2.6
268.71762	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	245.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
61.61364	0.6
63.95885	0.5
68.99788	1.0
70.22402	2.1
72.08138	1.2
81.47966	0.5
87.00819	2.0
110.87626	0.5
115.05451	3.9
117.05750	4.1
118.06563	3.2
129.07007	2.1
130.06517	11.8
132.08081	50.9
133.08417	0.9
140.04869	0.9
142.06517	7.4
143.07191	0.8
154.06482	1.2
156.06877	1.0
156.08073	3.6
156.90057	0.5
157.07613	6.8
158.06010	1.1
158.08391	6.3
159.09169	100.0
160.07576	8.1
160.09505	1.3
167.06042	4.4
167.35547	0.5
170.05994	2.4
172.07483	0.8
181.07590	2.3
183.09293	0.9
184.07568	16.9
185.07091	46.1
186.07397	1.1
199.08653	2.3
200.07059	8.0
201.07309	0.7
201.10226	12.0
209.07156	1.5
220.51688	0.6
220.72496	0.5
227.08138	37.0
228.08629	0.6
229.57039	0.6
245.04282	0.7
245.09213	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	245.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39182	0.4
55.01857	0.4
55.05498	0.7
59.32106	0.3
63.83279	0.4
68.99792	1.1
69.61702	0.4
71.57841	0.4
71.58718	0.6
76.25507	0.3
79.05489	0.6
81.07036	0.8
86.09702	1.0
87.00836	1.1
87.55966	0.4
91.05478	0.5
93.07007	0.7
97.06531	0.4
105.07035	1.0
107.08564	0.5
115.05453	3.9
117.05740	5.0
118.06580	2.6
124.05213	0.4
129.06998	2.5
130.06519	13.1
132.08084	56.5
133.08418	0.8
140.04945	0.9
142.06514	7.9
143.07285	0.6
144.08066	1.0
154.06497	1.5
156.06812	0.6
156.08066	4.9
157.07597	8.8
157.08859	0.8
158.06010	1.7
158.08372	6.5
159.09169	100.0
160.07570	9.3
160.09494	1.2
165.55943	0.4
166.06560	0.4
167.06075	4.9
167.07420	0.6
170.06026	3.9
171.06715	0.6
171.09169	1.3
172.07599	1.4
175.07510	0.5
181.07655	2.2
182.06073	1.2
183.09183	2.0
184.07567	15.2
184.09253	0.7
185.07095	46.0
186.07501	1.1
193.79721	0.4
198.05461	0.6
199.08763	2.3
200.07062	7.4
201.10234	10.9
209.07126	1.7
227.08147	35.1
228.08501	1.2
245.04642	2.4
245.09225	15.4
245.15001	0.5
246.09628	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04514	7.3
67.05463	2.3
69.07069	90.9
69.44651	17.6
70.02946	3.5
81.07072	2.4
88.03987	61.9
95.08507	1.7
97.06514	5.0
102.05540	99.7
113.02335	2.0
124.07574	7.8
130.05022	2.9
148.06042	100.0
166.08644	16.0
174.53645	1.9
184.09700	5.8
198.11221	10.1
226.10724	3.8
244.09727	3.8
244.11827	38.3
245.04523	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	244.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64433	3.3
55.05510	24.0
56.05040	20.9
56.96579	3.6
57.07069	5.1
58.06629	3.3
60.04524	4.2
67.05506	15.6
69.07069	14.7
71.58817	7.7
79.05479	9.4
79.99595	2.9
81.07056	13.7
82.06572	11.0
83.04984	4.1
83.08645	8.3
86.06055	4.4
91.05498	4.0
91.61423	3.0
93.07040	8.0
95.08603	12.2
97.10148	5.2
100.07626	10.7
105.07009	4.0
107.08595	4.2
109.10135	5.1
113.42702	3.1
118.77049	3.4
127.41734	3.2
132.29662	3.0
196.20598	19.4
208.20639	12.0
226.21652	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56320	0.8
55.01872	0.8
55.05510	1.4
56.96552	1.5
57.19297	0.7
59.61037	0.8
60.04526	9.5
67.05484	2.4
69.03448	1.0
69.07067	88.1
70.02946	4.2
71.03454	0.8
71.03764	1.4
71.04986	0.9
74.06145	0.8
81.07013	1.0
85.02882	0.9
88.03989	62.8
94.44193	0.7
95.08627	1.5
97.02868	4.3
97.06495	2.7
98.97578	2.6
102.05540	100.0
113.02412	0.9
114.05504	0.7
116.98620	3.3
121.06471	1.4
121.94118	0.8
124.07600	6.1
124.70071	0.9
130.04987	3.5
134.99609	1.7
138.05490	1.9
145.49829	0.8
148.06046	97.3
148.35947	0.7
149.06169	1.4
158.99710	0.9
166.08635	15.2
177.00623	1.0
179.32239	0.7
184.09665	5.0
198.11241	12.5
199.07565	0.7
212.09167	2.0
214.08443	1.0
223.09134	1.2
225.84406	0.7
226.10739	2.6
244.09741	2.3
244.11812	41.3
245.08464	1.0
245.12140	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86036	0.4
53.03961	0.9
55.01868	0.8
55.05509	0.6
56.05026	0.6
56.96563	25.0
57.03435	2.8
58.06594	0.7
61.02917	4.7
63.22650	0.4
67.04237	1.4
67.05508	0.5
69.03430	5.7
70.06594	5.8
70.98121	0.9
71.04987	1.9
71.57410	0.8
71.57744	0.4
71.95258	1.9
72.08154	5.5
72.96079	0.7
73.02915	2.6
74.97614	0.7
79.16865	0.4
81.03428	2.8
82.06579	39.3
83.05019	0.5
83.06928	0.5
84.04503	0.7
84.08142	4.4
84.96037	1.6
85.02900	6.0
87.04465	1.1
88.99168	0.7
90.01532	0.8
91.03958	0.4
91.13856	0.4
93.02091	0.5
97.02879	6.6
98.03237	0.6
98.06039	1.3
98.97578	25.8
99.04436	1.0
100.07614	100.0
100.99122	1.0
101.00860	1.4
101.07934	0.7
105.02043	0.8
106.02831	0.7
109.02897	1.5
109.06498	0.4
110.01272	0.9
110.06054	0.5
111.02050	0.5
112.02892	0.7
112.05080	0.7
112.07631	0.6
112.99122	1.7
115.03292	0.7
115.08701	1.2
116.98622	26.9
118.01027	0.9
118.02860	1.1
119.00146	1.0
119.01889	7.4
124.95471	0.4
127.03944	2.0
128.02310	1.3
128.98630	1.3
130.01820	0.7
131.00209	3.7
131.01903	1.9
133.03413	1.2
134.99664	21.0
135.03267	0.5
137.02931	1.1
140.00206	0.8
140.02310	0.5
141.01266	1.0
141.03120	1.2
142.03545	0.5
142.96545	1.4
143.00169	0.8
144.02541	0.4
145.01711	1.4
145.03427	2.4
145.05052	0.6
146.99651	2.3
147.03085	1.3
147.11276	0.8
148.03871	0.6
149.01205	4.7
149.02878	1.1
150.01781	3.3
150.03619	1.1
153.00688	3.7
154.01868	0.7
154.03838	1.7
154.04871	0.9
155.01909	1.4
155.04576	0.6
156.03600	3.9
157.03508	1.1
158.01279	1.0
158.08104	0.6
158.99609	1.2
160.02034	0.6
160.97572	1.7
161.01198	1.2
161.02927	1.8
162.01830	0.6
163.02757	2.4
163.04401	4.7
165.00769	1.0
167.02162	1.1
169.04410	3.1
170.96083	0.9
172.00505	0.6
172.04810	0.6
173.01337	0.8
173.02933	2.0
174.04437	0.5
174.99155	0.6
175.00659	0.6
175.02808	0.6
175.04506	1.1
176.07533	0.6
177.00656	1.4
178.04921	16.6
178.07243	0.6
178.55032	1.3
178.98615	0.6
179.02168	0.6
181.03864	1.2
181.05486	0.6
183.01991	0.6
184.02786	0.7
185.03012	2.0
187.04468	0.6
188.97037	4.5
189.00687	0.6
189.04178	0.5
189.55710	1.4
190.03761	0.5
190.98618	0.7
191.02235	0.8
191.03902	0.5
193.00156	1.8
193.03841	1.2
193.05524	0.5
197.03076	0.9
198.04384	1.9
200.07678	1.3
202.01527	0.9
202.03873	1.0
202.98624	1.0
203.02257	0.6
203.04056	1.2
204.05533	0.8
205.01987	0.5
205.03827	0.8
205.05563	1.1
206.98128	4.1
207.05118	0.6
215.04047	0.6
216.05470	2.8
219.01680	0.9
220.04913	1.7
220.99655	1.1
221.03101	1.0
221.05070	1.2
221.71227	0.5
226.03931	2.1
226.11848	0.7
227.13712	0.5
230.98007	0.5
234.06509	1.1
235.06604	0.9
237.02736	1.2
238.05899	0.8
239.06181	0.9
244.04887	25.9
244.06921	1.3
244.09024	1.0
244.16525	2.0
245.05154	2.3
262.05960	32.2
263.00690	0.6
263.06229	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50323	0.5
55.01873	0.6
55.05495	0.6
56.05033	0.6
56.96564	25.7
57.03432	2.4
58.06594	1.0
59.02497	0.5
59.04984	1.2
61.02925	4.7
67.04240	0.8
69.03426	5.1
69.36642	1.0
69.37054	3.8
70.06589	5.5
70.98151	0.8
71.04990	2.0
71.95258	1.8
72.08154	4.8
73.02911	2.2
74.97594	0.9
81.03423	2.3
82.01832	0.6
82.06577	44.8
84.04482	0.7
84.08136	4.5
84.96028	2.3
85.02897	5.8
85.08501	0.6
87.04465	1.1
88.99169	0.9
91.02350	0.5
91.03877	0.5
93.02072	0.6
96.01572	0.5
97.02328	0.7
97.02871	4.3
98.06052	1.4
98.97582	28.3
99.04465	0.7
100.07613	100.0
100.99129	1.3
101.00841	1.5
101.07967	0.6
104.01301	0.6
109.02885	1.3
110.01262	1.1
110.97620	0.5
111.02113	0.8
112.05064	0.9
112.99136	1.9
115.02395	0.7
116.98618	25.5
118.01094	0.9
118.02834	1.4
119.00176	0.8
119.01898	7.4
124.02865	1.2
124.95425	0.9
125.03634	0.6
127.03997	0.9
128.02278	0.6
128.07027	0.5
128.98631	1.3
130.01817	0.7
130.08656	0.5
131.00169	3.7
131.01918	1.7
131.03607	0.6
133.03378	1.3
134.99654	18.3
137.03006	1.3
140.00221	0.5
140.02296	1.2
141.01302	0.7
141.02974	0.9
142.03543	0.9
142.96570	1.0
143.00201	0.9
143.01883	0.8
143.02835	0.7
145.01723	1.3
145.03487	1.4
145.04994	0.7
146.99648	2.0
147.03125	0.8
147.11310	0.5
148.02881	0.9
149.01241	3.8
149.02898	1.7
150.01808	2.4
150.03656	1.0
153.00607	2.4
154.03737	1.1
154.04831	0.8
155.01860	0.6
156.03683	4.1
156.04927	0.9
157.03488	1.3
158.01247	0.9
160.97568	1.5
161.01271	0.9
161.02956	1.1
163.02782	2.5
163.04425	5.1
163.54547	1.2
165.04124	0.7
167.02205	0.6
169.04385	2.6
173.01245	0.9
173.02911	1.5
174.99278	0.6
175.04578	1.1
177.00708	1.8
178.04915	13.9
178.55119	1.7
181.03754	1.1
184.01294	0.7
185.02950	1.7
188.97089	3.6
189.00572	0.7
189.55736	1.7
190.05829	0.7
191.02226	0.9
193.00238	1.8
193.03931	0.7
193.58801	0.5
197.03094	0.7
198.04404	2.1
200.07690	0.6
202.01459	0.7
202.03934	1.0
202.98589	0.7
205.05528	1.0
206.98181	3.3
211.04767	0.9
216.05482	1.8
219.01703	0.8
220.04897	1.9
220.99625	0.7
221.05045	1.1
226.03880	2.3
234.06407	0.8
235.04631	0.6
237.02785	1.1
238.05925	1.0
244.04904	22.4
244.07312	1.3
244.16585	1.3
245.04944	1.5
262.05966	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	243.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	6.8
55.24673	2.0
57.07061	5.3
67.05504	26.4
69.07039	7.3
71.59019	3.5
71.59392	2.5
79.05499	15.3
81.07055	24.2
83.08603	2.7
91.05479	29.2
93.07042	19.1
95.04970	2.2
95.08612	18.7
105.07021	25.2
107.08597	11.8
109.10126	8.2
115.05478	2.4
117.07014	19.7
119.08555	19.3
121.10154	12.0
123.11697	5.8
127.13927	2.0
129.07005	3.7
129.51382	2.2
130.26112	1.8
131.08577	52.0
133.10101	15.4
135.11693	9.3
140.13477	2.0
143.08644	4.1
144.09311	2.5
145.10118	40.9
147.11705	13.4
149.13298	4.9
159.11702	27.2
161.13293	17.6
168.86609	2.0
171.11649	2.4
173.13258	31.6
175.14853	5.0
185.13182	3.0
187.14821	16.6
201.16400	8.5
215.17915	2.8
223.87158	2.0
243.13904	3.6
243.21075	100.0
243.28738	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	243.134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.5
56.05029	0.6
57.05802	0.5
58.06591	1.5
60.95230	0.5
61.02913	2.2
67.05495	0.7
68.05011	0.9
69.03438	0.5
70.06573	1.4
70.71914	1.5
80.05005	1.0
80.64108	0.5
81.03412	1.6
81.04544	2.5
82.06584	2.2
83.04976	1.9
83.06100	2.1
91.04863	0.5
91.05466	0.5
92.63132	0.5
93.05796	0.6
94.06561	1.5
95.04948	0.5
95.06083	4.1
98.06046	1.2
108.08120	1.4
109.07668	2.5
110.06010	2.6
110.08389	1.2
111.04444	1.0
111.05563	1.5
119.06071	0.6
121.07626	1.3
122.03216	0.6
123.05521	0.6
123.09167	2.9
124.07607	0.8
125.07120	0.9
129.07848	1.2
134.09715	0.6
135.09216	0.6
136.06331	1.2
136.07526	0.6
137.07095	18.8
137.10724	1.6
138.07863	1.6
139.08675	0.6
146.08272	0.7
147.09149	0.8
149.07126	1.5
149.10728	2.6
150.07881	1.0
150.09076	0.8
151.08653	5.8
151.12337	1.1
153.10231	7.3
155.08141	1.8
161.07106	1.5
161.10732	5.3
163.08704	0.7
164.09430	2.1
165.10242	9.2
173.09239	1.7
174.07892	1.0
177.10201	1.5
178.08618	0.6
179.11784	12.0
180.08797	0.6
181.04973	0.6
181.09705	1.4
189.10210	1.0
192.08917	0.6
195.11263	1.9
197.12866	1.0
198.11250	1.1
207.11301	6.4
210.09988	1.2
215.77240	0.5
225.12331	6.8
228.10979	2.8
243.13406	100.0
244.13747	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	26.4
55.05517	91.1
56.96565	39.4
67.05511	38.3
69.07084	33.3
70.89651	40.2
70.89996	40.9
79.05487	51.8
81.07073	43.7
83.08656	28.0
86.09696	36.1
91.05491	48.0
97.02890	73.1
98.97589	48.9
100.07623	60.6
100.11253	80.9
107.08545	27.4
109.10191	43.5
115.34550	23.2
116.98625	34.0
121.06481	46.6
125.63008	25.3
128.06201	26.4
128.07077	73.3
129.07434	71.3
131.04875	33.4
131.08644	28.8
137.09583	28.6
147.08046	47.3
159.04477	34.4
159.10120	31.0
161.09657	100.0
165.09138	55.7
169.06416	22.5
177.00827	27.5
189.09123	35.4
189.31776	21.9
222.06458	73.2
238.62076	24.7
243.06688	49.2
243.10188	27.5
250.99933	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	243.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56849	19.7
55.05503	34.4
56.96561	41.5
69.03407	28.2
70.28802	95.9
79.05495	49.9
81.07072	39.1
83.04989	37.0
84.04508	30.1
86.09706	23.7
90.04656	24.3
91.05483	41.4
95.04998	23.7
95.08615	27.0
97.02879	49.0
98.97581	81.3
100.07642	29.8
100.11253	100.0
103.05485	34.5
105.07035	49.7
107.04932	34.0
109.06484	27.3
109.10184	48.6
114.59400	19.7
116.98609	39.8
119.08605	51.9
121.06470	33.0
128.07045	47.1
134.99657	42.3
137.09648	33.5
146.99753	21.1
147.08060	53.9
153.10188	21.0
159.04477	38.9
161.09616	95.1
165.09125	79.2
189.09187	30.5
197.05946	38.1
222.06517	92.9
243.06442	40.5
243.17258	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1017
Annotation	RESVERATROL 4'-METHYL ETHER
Peak:m/z	Relative Intensity
52.03569	1.7
55.01865	3.9
55.05503	3.8
56.96556	4.3
57.32221	1.8
65.03942	3.4
67.05491	4.8
68.99780	2.3
69.03436	2.4
70.74818	5.2
71.05003	2.6
77.69289	1.8
79.05495	6.0
81.07052	7.7
83.08611	2.2
91.05478	49.7
93.07048	3.8
95.04955	9.8
95.08604	2.3
97.02879	5.4
103.05462	2.1
105.07028	29.7
107.04948	22.5
109.06461	2.2
111.04416	2.0
115.05431	3.5
119.04935	26.7
119.08605	2.1
120.05748	3.9
121.02876	3.8
121.06498	47.5
123.04430	9.5
124.05170	2.5
125.05911	2.1
133.06474	26.3
134.03622	3.0
135.04436	8.4
137.05971	6.2
141.07010	3.1
145.06464	5.4
147.08008	3.4
148.09723	2.1
149.05971	30.8
150.06790	5.4
151.03957	1.8
153.06998	4.6
154.07765	3.5
155.08615	4.2
157.06555	3.3
159.04381	4.3
159.08026	5.5
165.06989	18.6
167.08543	2.1
169.10150	2.2
171.07986	2.2
174.06827	2.1
181.06509	5.1
182.07262	8.2
183.08095	11.4
186.86742	1.9
190.57640	1.9
194.07182	3.5
197.05931	3.7
197.09610	6.0
198.06613	2.5
199.07619	3.0
204.41206	2.2
210.06749	6.1
211.07552	8.4
212.08302	5.2
213.09087	2.9
225.09145	7.3
228.07803	6.1
243.06525	4.1
243.10175	100.0
243.17358	2.3
243.21037	3.3
244.10428	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	243.1015
Annotation	Pholidotol D
Peak:m/z	Relative Intensity
53.03942	1.4
55.01853	2.9
55.70631	0.6
57.49119	0.6
65.03932	1.6
67.05502	1.5
68.99773	1.3
69.03400	0.8
69.47403	2.0
69.47819	4.4
71.04968	0.9
79.05483	3.5
81.03393	0.8
81.07023	2.5
86.09670	0.7
91.05476	34.4
91.35705	0.7
92.05865	0.7
93.07023	2.1
94.04147	1.0
95.04975	5.0
97.02855	3.0
99.04444	1.2
103.05450	3.1
105.07024	15.9
105.73242	0.7
107.04945	22.1
107.08605	0.8
109.06487	1.3
115.05447	1.5
119.04930	23.1
120.05766	4.5
121.02835	3.6
121.06499	48.8
123.04409	12.5
124.05175	2.1
125.05975	3.8
128.42021	0.7
131.04919	1.8
133.05460	1.3
133.06480	23.4
134.03610	2.2
134.06895	1.0
134.49777	0.7
135.04424	6.0
137.05972	6.0
140.06142	0.7
141.06981	1.9
145.06483	3.6
147.08012	2.8
149.05966	27.8
150.06755	6.0
153.06944	4.8
154.07698	2.6
155.08511	2.9
157.06490	3.0
159.04440	1.5
159.08028	4.2
161.05984	0.8
165.06990	17.8
166.07701	1.4
167.08414	0.9
168.05692	1.1
169.06497	1.4
169.10197	0.9
171.08061	0.9
173.05913	1.1
173.09656	1.1
174.06804	1.4
179.08537	1.8
181.06441	4.8
182.07269	8.4
183.08020	9.5
185.05939	1.0
187.07433	0.9
193.06499	2.5
194.07228	2.3
195.07973	1.4
197.05981	1.9
197.09590	5.5
198.06757	1.0
199.07484	3.0
200.08269	1.4
201.09050	1.0
210.06729	8.6
211.07491	7.3
212.08307	5.3
213.05411	1.2
213.09152	1.1
215.10664	2.6
225.09099	5.8
227.06911	1.6
228.07733	6.0
243.10147	100.0
244.10474	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1014
Annotation	RESVERATROL 4'-METHYL ETHER
Peak:m/z	Relative Intensity
53.03918	1.2
55.01869	2.5
55.05492	1.2
65.03932	2.2
66.26988	1.3
67.05466	1.6
68.99784	1.8
69.03455	1.1
69.31862	9.2
69.32285	3.4
72.63294	1.0
79.05476	5.2
81.03410	1.2
81.07040	3.4
91.04895	1.7
91.05476	36.6
93.07028	2.8
95.04971	7.3
97.02926	1.5
97.06443	1.1
98.20737	2.0
99.04421	1.4
103.05440	3.6
105.06376	1.9
105.07024	14.8
107.04949	18.4
109.06520	1.7
112.27425	1.1
115.05447	2.7
117.14730	1.1
119.04938	21.8
120.05700	3.7
121.02876	3.1
121.06496	39.9
123.04417	9.5
124.05232	1.5
125.05957	3.5
128.06216	5.0
129.06999	2.4
131.04930	9.4
133.06485	19.0
134.03654	2.6
135.04410	6.4
135.05304	1.1
137.05960	4.7
141.07028	2.4
144.05646	1.7
145.06474	6.8
147.04358	1.3
147.08028	2.7
149.05980	20.8
150.06737	4.2
152.06161	1.9
153.07043	5.7
154.07773	2.3
155.08493	3.5
156.05685	3.2
157.06461	2.4
159.04430	2.0
159.08035	3.0
161.05956	7.6
165.07033	17.7
166.07794	1.3
167.66556	1.1
168.05692	2.1
169.06453	2.5
171.08040	8.4
173.09596	1.2
174.06734	2.2
177.06978	1.4
179.08502	1.4
181.06461	7.2
182.07228	7.3
183.07988	9.2
184.05119	5.7
185.05968	2.7
187.07544	1.4
193.06319	1.3
194.07202	2.3
197.05919	2.7
197.09625	5.3
199.07492	4.1
200.08348	1.9
202.06226	13.5
210.06807	7.6
211.07541	9.1
212.08264	4.1
215.07095	2.4
215.10652	2.7
225.09088	8.9
226.09335	1.5
227.07019	2.4
228.07791	7.8
243.10155	100.0
244.10553	3.2
250.11043	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1015
Annotation	RESVERATROL 4'-METHYL ETHER
Peak:m/z	Relative Intensity
55.01864	2.3
56.96548	2.6
65.03934	2.7
67.05479	2.5
68.31667	1.3
69.03439	1.5
70.75160	2.1
70.75491	3.0
70.80631	1.6
71.05010	1.5
73.43355	1.4
79.05479	3.8
81.07047	3.4
85.02890	1.7
86.98292	1.3
91.05484	27.0
93.07037	2.6
95.04969	6.8
95.08612	1.8
97.02908	3.5
103.05486	3.1
105.03411	1.3
105.07028	12.6
107.04957	20.5
109.55259	1.4
111.04506	1.8
114.07684	1.4
115.05412	1.7
116.98605	1.6
119.04943	18.8
120.05714	4.4
121.02863	4.6
121.06509	36.9
123.04443	10.5
124.05198	2.2
125.06054	3.1
131.04919	1.9
133.06496	20.6
134.99677	1.5
135.04411	5.1
136.22737	1.2
137.05975	4.1
145.06538	3.2
146.99666	2.1
147.08023	4.3
147.11606	1.6
149.05989	27.0
150.06699	4.8
153.06970	5.0
154.07610	2.0
155.08510	3.8
157.06464	2.5
159.04391	2.7
159.08049	3.8
165.06984	20.1
167.08629	2.2
168.05698	3.0
169.06453	1.7
170.15373	1.9
171.07913	1.3
171.97841	1.4
181.06494	4.9
182.07343	9.0
183.08072	11.5
185.05974	1.7
193.06400	1.9
194.07231	2.7
197.04344	1.4
197.06044	4.8
197.09607	4.9
198.14935	1.2
199.07524	2.7
200.08269	1.7
204.15698	1.3
207.01581	1.5
210.06773	7.8
211.07542	8.2
212.08330	4.9
213.05388	2.9
215.10750	2.2
225.09099	5.2
227.07088	2.5
228.07773	9.3
243.10159	100.0
244.10431	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1015
Annotation	RESVERATROL 4'-METHYL ETHER
Peak:m/z	Relative Intensity
53.03933	0.9
55.01865	1.8
56.96323	0.5
56.96565	3.1
65.03928	1.3
67.05505	0.9
68.99788	0.8
69.03421	1.1
69.25993	1.9
69.26418	3.5
71.04993	0.9
79.05499	3.8
81.03416	0.8
81.07043	1.9
83.80172	0.5
85.02870	0.6
91.05476	36.7
92.05779	0.8
93.07034	2.0
94.04231	0.6
95.04960	7.8
97.02878	1.7
98.97564	1.4
99.04463	0.9
103.05463	2.6
105.03358	0.6
105.04520	0.5
105.07027	14.5
107.04950	24.3
108.05280	0.5
109.06510	1.3
110.03642	1.2
111.04454	1.0
115.05460	1.5
116.98631	2.2
119.04939	24.1
119.08646	0.6
120.05733	4.5
121.02866	4.2
121.06499	50.0
123.04427	11.6
124.05222	2.7
125.05968	2.9
128.06238	0.7
128.98604	2.1
129.06985	1.1
131.04898	1.8
131.08511	0.7
133.06493	23.7
134.03632	2.5
134.99635	1.1
135.04414	7.3
137.05980	5.7
138.21519	0.5
141.06956	2.3
144.05679	0.9
145.06485	4.1
145.09900	0.6
146.99689	2.4
147.04314	1.0
147.08051	3.6
149.05974	29.5
150.06786	5.7
152.06151	1.5
153.06956	5.1
154.07739	2.4
155.00172	0.8
155.08507	3.0
157.06459	3.2
159.08012	3.2
161.01201	1.7
165.06999	17.4
166.07751	2.0
167.08546	1.5
168.05713	1.4
169.06488	2.1
170.07213	1.0
171.04424	1.2
171.08061	1.2
172.08759	0.7
173.01202	1.3
173.09552	0.9
174.06764	0.5
177.07004	1.0
178.07774	1.0
179.08458	0.9
181.06465	8.1
182.07242	9.1
183.08043	8.3
185.05995	0.7
185.09595	1.1
187.07544	0.7
189.18250	0.6
192.05769	0.9
193.06465	2.1
194.07251	3.6
195.04857	0.7
195.07999	1.5
197.05930	1.8
197.09634	4.4
198.06712	1.6
199.07462	2.0
200.08350	1.2
201.09123	1.5
207.07951	0.6
209.05994	1.1
210.06743	8.1
211.07515	7.9
212.08301	4.5
213.05438	1.8
213.08978	2.3
215.10695	2.3
225.09100	5.5
226.06268	1.2
226.09459	0.9
227.07082	2.5
228.07780	5.8
241.08511	1.5
242.04700	0.6
242.09180	2.1
243.10156	100.0
244.10484	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	243.0865
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
51.02388	1.5
53.03944	2.9
54.52383	1.3
55.01860	1.6
55.05517	2.0
56.84086	1.4
56.96556	3.7
57.03443	1.8
61.02929	9.1
65.03951	8.5
67.05502	4.6
69.03421	1.8
69.07056	2.4
70.06614	2.7
70.82696	1.6
70.83040	3.3
71.04980	1.3
72.08154	2.1
74.06078	1.6
77.03891	1.3
79.05495	9.2
81.03433	3.2
81.07061	5.3
81.79468	1.3
82.04208	3.1
82.06580	4.3
83.04978	4.9
84.04510	11.8
84.08154	4.3
85.02906	7.2
86.06061	2.1
86.09703	10.1
91.05492	18.5
93.03394	2.3
93.07027	1.4
94.04209	2.3
94.06551	1.7
95.04972	17.6
97.02891	2.1
97.06547	3.8
103.05458	1.6
105.03432	2.1
107.04947	7.5
109.06513	14.3
110.03645	5.0
110.06042	1.2
111.04417	2.1
111.09189	1.8
116.98629	3.2
119.04926	6.3
120.08101	2.1
123.04461	14.0
123.08066	2.3
125.02342	8.7
125.06004	1.9
128.04565	1.5
132.04465	2.7
132.10229	4.5
133.02873	11.7
134.09558	1.8
135.04454	2.4
136.11176	2.5
137.05984	20.2
138.03090	2.4
138.12746	2.1
140.04683	100.0
142.02672	2.9
147.04456	6.9
149.02361	1.5
149.05986	1.9
151.03900	1.7
152.04750	2.6
152.10745	2.4
154.12305	2.9
155.04720	2.6
155.07033	77.9
161.37155	1.5
163.03931	2.1
165.01836	2.9
165.05472	18.3
167.07092	1.6
171.06549	4.8
172.13478	1.7
173.08261	6.5
175.12279	6.2
177.13918	3.2
179.07063	8.6
180.04178	13.8
181.04965	66.0
183.06537	3.4
184.03693	2.0
187.14380	1.3
193.04974	26.3
195.06558	10.6
197.06026	2.5
197.08107	7.8
197.12907	3.1
207.06551	21.2
207.08421	2.4
207.14949	12.3
211.14418	3.0
223.04022	1.4
225.07527	13.6
225.09186	1.3
225.15889	1.5
233.49727	1.4
241.12495	1.4
243.08572	7.5
243.13463	2.2
243.17035	7.3
253.51025	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0651
Annotation	2,4,5,6-Tetrahydroxyphenanthrene
Peak:m/z	Relative Intensity
55.01873	1.0
55.22490	0.3
65.03934	4.3
68.99789	6.2
69.61106	1.7
69.61517	0.8
76.67091	0.3
81.03419	0.5
91.05501	1.1
95.04964	0.4
107.04953	8.2
111.04454	0.8
115.05463	1.8
117.07011	1.3
119.04923	0.6
121.02864	24.1
131.04973	2.2
131.08556	1.5
141.06992	8.5
144.05699	1.5
145.06496	2.2
147.04408	3.5
147.08052	2.9
149.02338	100.0
150.02708	1.4
152.06190	0.5
155.06030	0.5
157.06448	0.6
159.08032	1.7
167.03412	1.8
168.05670	0.9
169.06474	11.9
173.05966	1.6
185.05956	0.8
187.07538	1.9
197.05974	13.3
198.06519	0.6
200.04707	0.5
213.05505	0.8
214.06190	0.5
215.07018	94.6
216.07410	2.1
243.06520	38.3
244.06790	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.065
Annotation	2,4,5,6-Tetrahydroxyphenanthrene
Peak:m/z	Relative Intensity
55.01874	1.1
65.03933	3.4
67.05494	0.6
67.39190	0.4
68.99782	4.4
69.07043	0.4
71.04984	0.5
71.58252	0.5
75.23059	0.4
81.03391	0.5
81.07066	0.6
84.00250	0.5
91.05485	1.6
93.07064	0.5
95.04981	0.8
95.08613	1.0
98.97615	0.7
103.05448	0.8
107.04951	7.7
111.04485	0.7
115.05456	1.3
116.98645	0.5
117.06990	1.2
117.86370	0.4
119.04990	0.8
119.08604	1.3
119.82290	0.6
121.01997	1.0
121.02863	19.9
123.04412	0.5
123.08010	0.6
129.07004	0.7
131.04948	2.3
131.08578	1.7
141.06989	7.6
144.05678	1.1
145.06502	1.8
147.04424	3.6
147.08054	2.2
147.11595	0.6
149.02333	100.0
150.02686	1.4
152.06218	0.5
155.05986	0.9
159.08003	2.5
162.71609	0.5
165.06953	0.5
167.03403	1.8
169.05049	1.1
169.06465	10.4
173.05992	2.3
185.05981	0.9
187.07527	1.9
197.05962	12.6
197.13161	0.5
198.06567	0.9
200.04718	0.7
213.05376	1.1
215.07016	96.0
216.07382	2.6
238.82455	0.5
243.06497	41.8
244.06798	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.9
56.96560	3.2
57.03435	13.2
59.04996	4.5
67.05498	4.7
67.64494	1.1
69.03423	2.1
69.07066	94.2
70.06593	14.1
70.07409	1.1
71.01343	1.7
71.49945	1.6
72.08162	1.2
73.02931	1.2
79.05493	3.0
81.03381	1.3
81.07053	5.2
83.06104	2.3
83.08601	2.5
84.08138	3.4
85.02905	2.4
88.03992	3.1
91.05460	1.7
93.90597	1.3
94.06567	1.6
95.04967	9.1
96.08160	2.8
97.02896	1.4
97.06513	9.9
98.97584	1.6
108.04501	1.4
109.06529	1.2
112.07600	18.0
116.98637	2.0
122.06017	1.9
123.04423	3.9
124.07572	5.3
129.05501	1.5
134.04491	1.8
134.99643	1.3
140.07059	89.6
141.05455	3.3
154.04970	1.1
156.10216	8.3
160.41029	1.1
168.06555	100.0
207.26009	1.1
224.09201	1.5
225.16037	1.7
242.10237	24.7
242.15581	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	241.1546
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
56.96548	0.4
58.06601	19.6
60.92347	0.3
70.06591	3.1
70.74364	1.1
72.08135	0.5
73.66232	0.3
76.79061	0.3
81.03389	0.7
82.71889	0.3
84.08144	10.7
98.06056	0.4
98.09713	1.5
98.97573	0.4
100.11243	0.3
114.05526	0.4
116.07090	0.5
116.10673	0.3
126.05487	0.5
128.10716	3.8
144.10173	1.5
164.07057	1.3
168.10188	1.0
196.09677	6.0
213.16006	0.7
241.15469	100.0
242.15703	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	7.6
57.07078	7.6
67.05522	8.1
69.07063	12.4
71.58636	2.4
79.05477	5.6
81.07066	9.6
83.08601	6.1
91.05470	12.8
93.03700	5.6
93.07040	6.0
95.08584	6.4
97.10185	1.8
99.45911	1.5
102.06232	1.6
105.07041	11.9
107.08567	5.3
109.10133	3.0
111.06780	1.5
114.29082	1.4
115.05427	4.7
117.06227	2.8
117.07021	51.8
119.08595	9.5
121.10137	4.5
122.73947	1.6
128.06207	7.2
129.06998	30.7
131.07579	3.2
131.08560	53.9
133.10114	11.9
135.11710	1.5
141.07010	3.4
142.07753	6.3
143.08559	39.1
145.10130	24.9
147.11713	11.5
155.08549	3.0
156.09364	3.8
157.10129	28.7
159.11693	50.9
161.13211	3.5
167.53400	1.6
169.10086	4.3
171.11687	33.0
173.13266	43.1
183.11681	2.3
185.13260	46.5
187.14844	4.4
199.14804	49.7
213.16457	10.0
241.19507	100.0
242.19806	3.3
242.28444	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	241.1222
Annotation	Didehydroconicol
Peak:m/z	Relative Intensity
52.08206	1.2
55.02511	0.9
55.05482	1.2
69.07072	1.3
69.85855	6.6
79.05476	1.4
81.07065	1.3
83.08630	1.0
91.05501	6.0
93.03730	3.0
93.80121	1.0
98.20816	1.1
98.97594	1.2
115.05455	18.4
116.98643	2.0
117.07016	100.0
118.07350	1.4
125.24531	0.9
129.07014	1.2
134.99654	2.7
137.05986	2.0
157.10107	1.5
163.97711	1.3
164.72144	1.0
167.83727	1.2
181.98820	1.1
201.24022	1.0
210.09920	1.7
241.19661	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.05502	1.1
56.96563	3.9
57.03425	1.2
57.73285	0.3
58.06599	22.4
61.02920	2.4
65.26288	0.4
67.05466	0.5
68.05028	0.4
69.03426	1.7
70.06588	4.3
71.04985	0.9
71.44205	0.7
72.08156	0.4
73.02909	0.9
73.06509	0.4
75.31841	0.3
81.03412	2.1
82.06573	1.1
82.70922	0.3
84.08143	11.3
85.02909	2.3
85.06528	0.7
87.04462	0.4
97.02872	1.9
97.99148	0.6
98.06068	0.5
98.09674	1.5
98.97583	2.6
99.04418	0.6
100.07640	1.9
101.00887	0.6
106.49044	0.4
109.02866	0.9
110.06042	0.5
110.97542	0.4
112.07616	0.4
114.05515	0.4
116.07103	0.7
116.98621	1.9
119.01926	2.6
120.40449	0.4
126.05489	0.7
126.09159	0.5
127.03889	0.8
128.10712	4.2
128.98633	0.7
130.01825	0.4
131.00145	0.7
131.01892	1.3
133.03473	1.1
134.06030	0.5
134.99663	1.5
143.01851	0.7
144.10201	1.7
145.03477	0.6
146.08122	1.5
146.99638	0.7
147.05783	1.2
150.09082	0.5
151.04524	0.6
152.07100	0.7
153.05730	0.8
155.01825	0.4
161.02946	2.1
161.05458	0.6
164.07056	3.3
165.04350	0.4
168.10126	0.9
170.06085	0.9
171.05032	0.5
173.03000	0.5
173.06747	0.4
175.04565	0.5
185.03011	0.7
185.06540	0.6
189.06017	0.5
196.09653	5.6
197.09883	0.4
203.04189	0.5
213.06128	0.5
213.15997	0.9
221.04994	0.5
228.07141	0.6
237.02853	0.7
241.15465	100.0
242.15773	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	241.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.05499	1.1
56.96562	0.7
61.54321	0.5
65.03952	0.7
67.05472	1.0
67.15342	0.5
67.38805	0.5
69.07062	1.3
70.72939	1.4
72.69913	0.6
79.05495	5.1
81.07062	0.8
91.05477	21.7
93.03694	1.3
93.07034	0.8
95.04945	3.2
95.08630	0.6
107.04951	21.4
109.06502	0.6
117.07021	6.0
121.10172	0.7
122.03635	0.7
123.04395	1.8
125.05991	5.7
134.99673	1.0
135.05547	1.3
137.05971	100.0
138.06305	1.8
153.00713	0.7
163.97665	0.8
202.98657	0.6
213.05507	0.8
241.05038	2.9
241.08687	2.5
241.19666	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1184
Annotation	epsilon-L-norlysyl pyrraline
Peak:m/z	Relative Intensity
52.64761	3.3
55.01877	3.1
55.05497	3.7
56.05036	6.7
57.07060	3.7
58.06593	6.0
59.06130	4.1
67.05508	3.2
68.05025	6.1
69.03431	3.2
69.07049	5.1
70.06580	9.9
70.15812	3.0
71.57691	3.2
74.02440	55.9
79.05482	13.0
80.05008	7.4
81.07056	5.3
82.06573	5.8
83.05628	5.5
83.06103	78.0
84.04485	9.5
84.08160	8.3
86.09698	4.9
88.04004	4.4
91.05482	30.9
93.03734	6.5
93.07042	5.8
94.06562	13.6
95.04955	9.1
95.08608	4.1
96.04470	4.9
97.06535	4.0
103.05447	4.0
105.07032	19.0
106.06556	17.9
107.04962	15.0
108.08122	10.0
109.06514	10.4
109.71944	2.8
110.06021	8.1
111.20931	3.2
112.07629	4.3
114.05524	4.0
115.05447	5.4
116.98691	3.5
117.05750	8.8
118.06541	100.0
119.04955	16.1
119.07315	11.3
120.08101	11.3
121.06506	3.8
122.06002	4.4
122.09636	5.2
123.04431	10.6
124.07588	3.6
128.03206	3.3
130.06506	4.6
132.08092	46.1
133.06540	4.6
133.07570	6.5
134.06032	37.6
135.04416	6.2
136.07565	26.7
142.06514	6.6
146.05978	5.3
147.04401	5.2
149.08018	6.9
150.05479	4.2
150.09137	18.9
151.07503	4.6
152.07063	9.5
159.09177	45.1
160.07562	29.7
161.05908	3.2
164.07033	16.1
165.05453	5.0
168.10129	4.5
177.10228	56.5
178.04921	7.0
178.08688	15.6
178.09978	3.1
180.06557	9.8
182.08075	5.9
195.08356	3.7
195.11320	16.5
196.09697	5.0
196.14473	8.1
198.07613	4.1
205.09795	20.8
206.08124	14.2
223.10780	42.4
224.09161	6.5
239.91959	2.8
241.11795	52.7
241.15569	9.1
242.10196	8.1
242.15030	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	241.107
Annotation	CMPF
Peak:m/z	Relative Intensity
50.25626	0.5
53.03928	1.5
55.01873	6.6
55.05505	0.8
65.03936	1.2
67.05511	0.9
69.03419	1.0
69.07035	0.5
69.30437	3.7
69.30865	2.1
70.38597	0.4
73.02917	34.7
79.05492	4.5
81.03414	3.8
81.07073	2.6
83.08547	0.5
85.24251	0.4
91.03971	0.7
91.05514	1.1
93.03382	1.3
93.07034	0.5
94.04200	1.2
95.04955	2.4
96.05719	2.6
98.20777	1.0
105.07013	0.7
107.04935	1.0
107.08570	0.6
109.02884	1.2
109.06515	6.4
111.04436	1.9
111.08041	0.7
121.06497	0.8
122.03638	3.0
124.05209	4.8
128.04688	1.1
137.02332	1.7
137.06001	3.1
137.46278	0.5
138.06734	1.0
139.03902	10.3
139.07536	7.0
141.01808	0.6
151.03923	1.4
152.04694	9.8
152.05893	0.3
153.05411	0.8
154.06245	100.0
155.06490	1.1
156.04158	1.0
165.05434	1.0
166.06204	1.0
167.07086	1.1
167.08521	0.6
169.08603	39.8
171.07932	0.6
176.35103	0.6
180.07858	1.1
181.08611	0.8
185.08122	2.5
193.08662	1.3
195.06529	64.4
195.10194	2.6
213.09047	0.9
223.09680	11.7
230.06290	0.6
241.04845	0.6
241.08635	0.8
241.10727	8.7
241.19757	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0859
Annotation	2',4'-Dihydroxychalcone
Peak:m/z	Relative Intensity
50.85152	0.5
53.03944	0.9
53.07178	0.5
55.05505	0.9
56.28763	0.6
56.96561	0.8
64.43662	0.6
68.99776	2.7
69.07074	0.9
70.06574	0.5
79.05501	4.5
81.02988	0.6
81.03424	8.3
81.07036	0.8
91.05479	2.5
93.03732	1.3
95.04950	0.8
95.08652	0.6
98.97542	0.6
103.05470	28.0
107.04973	4.9
109.02869	0.7
111.04460	1.4
116.98594	0.9
117.03386	3.3
123.16125	0.7
127.03925	1.3
129.07007	0.7
131.04924	41.4
132.05215	1.1
134.99667	1.4
135.04410	2.2
137.02336	100.0
138.02695	1.1
143.08530	1.1
152.06209	1.7
153.07025	1.2
155.03378	1.4
155.08562	2.5
157.06375	0.6
163.03909	5.2
165.07037	1.8
166.07791	0.7
167.08528	4.1
171.08046	2.8
171.11681	0.6
177.07001	1.5
178.07697	0.7
181.06473	0.9
195.08058	9.4
199.07500	1.5
213.09177	1.0
223.07520	5.4
226.06259	5.9
229.40518	0.6
241.08589	71.9
241.19612	0.9
242.09029	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0859
Annotation	2',4'-Dihydroxychalcone
Peak:m/z	Relative Intensity
53.03941	0.9
55.05500	0.7
56.96559	0.8
57.07072	0.7
58.06596	0.5
62.97461	0.4
65.03930	0.7
67.05486	0.5
68.99789	2.6
69.07053	0.8
70.20348	1.1
70.20758	1.2
75.79746	0.4
79.05497	4.1
81.03420	8.3
81.07074	0.6
83.94238	0.4
91.05456	2.6
93.03707	1.8
93.07047	0.5
95.04962	1.3
95.08611	0.7
96.02083	0.7
98.97557	0.5
103.05462	29.1
105.03384	1.0
105.07005	1.0
107.04945	5.3
109.02866	0.8
111.04436	1.3
116.98615	0.7
117.03362	2.8
120.85564	0.5
127.03895	1.4
128.06256	1.1
129.07018	0.8
131.04924	44.1
134.99660	0.8
135.04443	2.8
137.02333	100.0
138.02675	1.3
141.07010	0.6
143.08510	1.3
152.06226	1.5
153.06970	1.3
155.02228	0.4
155.03352	2.3
155.08553	3.3
157.06462	0.5
163.03931	7.2
163.97639	0.4
165.06985	1.9
167.08565	4.1
169.06422	0.5
171.08028	2.9
171.11726	0.9
177.06963	1.4
178.07727	1.0
181.06442	1.2
181.91843	0.4
185.09601	0.7
185.13255	0.9
195.08046	9.9
199.07549	2.1
213.09093	1.8
223.07523	6.9
226.06216	7.1
229.10765	0.5
241.08585	87.2
241.19557	2.5
242.08942	2.3
244.88982	0.4
254.44167	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56914	0.4
53.25409	0.4
55.05492	1.5
67.05476	1.2
69.03400	0.7
69.07050	1.0
70.06561	0.7
70.15079	0.9
70.15472	1.4
72.04504	0.8
74.06056	0.6
79.05468	1.4
80.05029	0.4
81.07065	2.2
82.06565	0.5
83.08612	0.6
91.05473	0.6
93.07014	1.9
94.06537	0.9
95.08622	2.1
96.08096	0.5
97.06479	0.5
98.97501	0.5
107.08545	1.0
108.08089	1.2
109.10145	0.6
114.66349	0.4
121.10152	0.9
122.09640	1.2
123.10387	0.6
123.11687	0.4
124.07584	4.4
126.09109	0.5
128.10747	0.5
129.43452	0.4
135.11700	1.1
136.08006	0.5
136.11185	2.8
137.13202	0.7
138.09081	1.3
139.09892	1.3
140.10605	0.6
142.12276	1.2
150.12738	2.0
150.28317	0.4
151.13501	0.6
152.09610	0.5
152.10666	2.7
152.14328	0.8
152.15497	0.5
153.11479	1.0
154.12247	2.2
155.58417	0.4
166.12274	5.2
167.13087	2.5
168.13867	1.1
178.15855	0.5
181.07573	3.0
194.15475	2.1
194.52879	0.4
195.09192	2.2
196.16959	100.0
197.17320	2.2
198.18570	1.0
223.08630	6.5
240.19577	44.3
241.09833	4.7
241.19879	1.2
248.84291	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1277
Annotation	Aspidinol D
Peak:m/z	Relative Intensity
55.01870	1.1
55.05507	3.6
56.96567	0.9
57.03432	2.0
57.07077	6.2
65.03941	0.7
67.01867	1.0
67.05504	17.1
68.99790	4.1
69.03423	2.2
69.07066	12.5
70.25474	2.4
71.04991	2.6
71.08640	4.4
73.06551	2.0
79.05488	2.4
81.03422	2.6
81.07053	5.7
83.04973	2.6
83.08601	1.6
85.02909	3.0
85.06574	0.6
85.10200	1.1
91.05489	3.1
93.07051	3.2
94.60914	0.6
95.04956	3.5
95.08605	54.4
97.02917	1.0
97.06542	1.1
97.10151	0.6
98.20845	0.8
98.97581	2.5
99.04447	10.4
99.08087	1.1
105.07028	1.7
107.04944	0.7
107.08599	1.8
107.68407	0.7
109.02887	1.9
109.06546	3.8
109.10146	3.6
111.04426	3.2
113.09654	1.2
115.05444	0.8
115.74062	0.7
116.98616	1.5
117.07045	0.9
119.04929	6.0
119.08594	1.8
121.10144	0.8
123.04430	16.1
125.06017	0.7
127.02990	0.7
127.03918	12.3
128.06183	1.0
129.07024	2.2
133.10132	0.7
134.99660	1.4
137.05978	20.8
137.09589	1.5
139.03899	100.0
140.04208	1.4
141.06989	1.1
143.08508	1.1
145.10150	0.7
145.99472	0.6
147.04413	3.6
147.11699	1.1
151.03905	11.3
151.07526	2.1
151.11220	1.0
153.01825	6.0
153.05455	9.1
155.03391	49.0
155.08568	2.0
155.10641	5.2
156.03746	0.9
157.10155	2.0
161.01230	0.8
165.05476	32.6
167.07048	0.7
168.09393	0.8
169.04973	2.9
169.10124	2.4
170.99657	0.6
171.11656	1.7
177.00734	0.8
179.07019	8.2
183.06503	1.9
183.11682	2.4
189.00783	0.8
190.06230	1.0
197.13312	3.2
201.00716	0.8
208.04205	1.0
210.14058	0.8
219.01814	1.0
221.08218	1.2
221.11703	8.5
239.12769	97.4
239.17906	9.3
240.13098	2.3
249.02727	0.7
252.45728	0.7
254.20398	0.6
255.98463	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1066
Annotation	4'-Methoxychalcone
Peak:m/z	Relative Intensity
55.05497	2.5
57.07068	3.4
67.05494	6.1
69.07070	1.7
69.88726	8.2
71.04991	1.7
71.08612	3.1
81.07047	4.3
83.08623	1.5
85.10146	1.4
89.06042	1.6
91.05474	25.7
95.04984	1.5
95.08608	5.1
100.37294	1.3
103.05470	4.7
105.07044	9.2
107.04929	3.0
109.10162	2.2
115.05453	72.3
117.07029	7.3
123.04432	12.9
123.11717	1.5
124.25427	1.3
128.06248	1.6
129.07001	3.9
131.04951	2.8
131.10020	1.4
133.06519	3.5
137.05981	10.2
147.04375	2.8
153.07060	2.2
161.05995	21.2
165.06996	2.0
169.09973	1.4
178.07771	9.4
179.08548	15.9
181.06502	4.1
196.08873	5.7
207.08095	5.4
208.08893	10.5
209.06038	1.7
211.11316	7.6
223.07571	5.7
224.08287	12.8
239.10686	100.0
240.11021	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1025
Annotation	3-hydroxy-4-methyl-D-kynurenine
Peak:m/z	Relative Intensity
52.56351	3.0
53.03912	2.8
54.03455	2.8
55.01876	5.1
55.05510	3.6
56.96550	3.2
57.07072	7.4
64.42413	2.1
65.91214	2.4
67.05494	7.3
68.05029	4.3
70.06588	4.9
70.09810	13.1
71.04985	5.3
74.02440	60.4
79.05507	16.8
80.05014	11.7
81.07059	9.4
82.06575	7.5
83.08617	3.3
84.04507	3.1
84.08146	4.1
88.03982	3.8
91.05466	10.9
93.05775	4.4
93.07035	9.1
94.02913	2.9
94.06564	7.8
95.04963	7.2
95.08589	8.3
96.04494	4.7
97.10136	2.7
98.06034	2.6
103.05482	15.2
104.04966	3.4
105.07025	18.5
106.06551	30.4
107.04953	16.0
108.04465	4.5
108.08106	3.5
109.10133	3.6
110.06010	5.2
113.04796	2.8
115.05463	7.9
117.05761	14.8
118.06549	25.4
119.04950	6.4
119.07364	3.1
119.08583	3.1
120.08104	29.3
121.06507	13.4
121.07594	2.5
122.06059	9.0
124.03944	7.6
124.07594	2.8
126.05495	4.0
129.10298	3.0
130.06523	77.0
131.04955	33.4
131.07298	3.7
131.68707	2.9
132.04451	8.4
132.07021	4.0
132.08066	33.5
133.05267	3.9
133.06514	5.4
133.07611	6.8
134.06018	100.0
135.04413	8.9
135.06773	8.2
136.07573	10.1
146.06006	4.7
147.09178	15.6
148.07581	70.7
149.05969	7.1
150.05507	10.0
151.08665	7.1
152.07092	12.5
157.07616	26.3
158.06026	31.1
159.04410	8.9
159.09203	3.4
160.07591	8.5
162.05504	6.6
164.07047	3.4
165.07874	9.9
166.08618	11.7
175.08672	84.4
176.07074	53.5
177.05449	6.6
177.10269	3.0
178.08649	8.6
179.08144	6.1
180.06584	11.6
181.07285	3.6
186.05560	5.0
193.09717	92.9
194.08076	17.5
203.08182	7.2
204.06583	7.1
221.09239	54.3
222.07590	31.3
239.10350	80.2
240.08444	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	239.0913
Annotation	10-Norparvulenone
Peak:m/z	Relative Intensity
51.46065	0.6
52.46438	0.5
53.03942	0.8
55.01864	1.7
55.05505	0.9
57.03420	1.0
57.07053	0.8
65.03944	0.7
66.78931	0.6
67.05492	3.6
68.49367	0.6
68.99783	1.9
69.03422	1.2
69.07064	1.7
69.26525	1.0
69.26936	5.9
71.04977	2.4
79.05495	2.3
81.03421	1.1
81.07053	3.3
83.01341	0.7
83.05006	0.8
85.02895	2.6
85.06532	1.7
91.05477	15.3
93.04813	0.6
93.07047	1.8
95.04955	2.4
95.08590	2.1
97.02876	0.7
103.05468	1.0
105.03397	0.7
105.07045	5.4
106.07320	0.9
107.04973	3.0
107.08617	1.1
109.02868	1.4
109.06505	4.2
109.10158	1.2
113.06030	0.7
117.07016	2.2
119.04926	2.2
119.08578	15.5
119.58442	0.5
121.06480	1.2
121.10168	0.6
123.04443	1.6
123.08051	1.9
123.11736	0.7
128.06219	2.0
129.07011	8.4
131.04900	0.7
131.08583	0.8
132.05695	2.0
133.06525	3.3
134.03589	1.3
135.04391	1.6
135.08037	1.0
137.05984	1.5
145.06441	1.1
146.07344	0.7
147.04411	29.6
147.08035	24.8
148.08394	0.7
149.02313	0.7
149.05997	3.7
150.03102	2.0
151.03915	1.6
151.07555	1.6
151.57732	0.6
157.06479	11.5
160.05197	2.1
161.05930	1.5
163.03909	1.8
163.07536	0.8
165.05505	1.4
165.09117	1.4
175.07542	96.8
176.07904	1.7
177.05466	10.8
177.06897	1.0
177.14658	1.8
178.06241	4.4
179.07022	2.1
185.05965	14.2
188.04648	3.4
193.08603	8.9
199.46736	0.6
203.07031	68.0
204.07367	1.9
221.08084	100.0
222.08430	2.6
238.66069	0.7
239.09132	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	238.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28676	0.2
53.03936	0.3
54.89997	0.3
55.05511	3.8
57.03437	1.6
57.42633	0.2
70.23466	0.6
70.23860	0.5
70.51203	0.2
71.04992	4.4
73.06554	24.8
74.06886	0.3
77.70816	0.3
79.05055	0.3
79.05486	2.6
89.06026	5.6
95.04968	0.6
98.06020	0.3
103.05473	2.4
105.07027	100.0
106.07358	1.5
117.05507	0.3
122.09665	23.3
123.10040	0.4
130.06505	2.3
146.77515	0.2
148.07562	11.3
174.12814	0.3
176.14305	2.8
202.12274	3.0
220.13313	7.2
220.15359	0.5
238.14366	10.8
238.18089	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1847
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
53.03944	4.9
55.01876	8.1
55.05512	89.2
55.82055	4.6
56.96560	9.6
57.03428	8.6
57.07063	16.9
63.08418	4.2
67.05498	46.0
67.89941	4.7
69.03437	31.3
69.07069	34.5
69.75497	29.7
71.04987	41.3
79.05487	21.0
81.07056	84.3
83.04980	100.0
83.08618	16.2
85.06536	36.7
90.04296	4.5
91.05475	28.9
93.07035	56.8
95.04972	17.5
95.08599	62.6
97.02916	5.1
97.06540	29.6
97.07062	4.3
97.10123	6.4
98.97600	9.7
99.04453	5.6
99.08043	11.5
105.07028	46.9
107.04908	4.5
107.08601	54.8
109.06532	13.8
109.10150	58.3
111.08067	19.2
113.05997	19.5
113.09626	6.2
116.98618	7.4
117.07002	8.9
119.08608	22.9
121.06481	6.6
121.10134	56.9
123.08099	9.7
123.11707	28.0
125.09626	17.3
127.11159	11.3
129.06975	4.9
131.08546	18.8
133.10118	60.4
135.11664	17.1
137.09610	7.6
139.11191	32.4
145.10124	16.9
147.11670	9.7
149.09657	6.2
149.13220	16.7
151.11192	51.9
153.12764	7.9
156.08032	5.2
159.08086	9.7
159.11694	24.7
161.13246	6.7
163.03941	5.5
163.07536	7.0
163.11217	8.6
165.27650	4.2
175.07448	6.1
175.14801	5.7
177.08980	4.9
177.12712	13.0
177.16431	8.1
181.15892	5.1
191.17918	4.5
193.82790	4.6
201.16377	20.2
202.06528	4.8
207.06485	6.5
219.10207	7.3
219.17432	27.8
228.10046	7.9
237.07498	8.1
237.11197	29.5
237.14880	5.4
237.18680	34.5
237.22050	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	237.1849
Annotation	(+)-Curcudiol
Peak:m/z	Relative Intensity
50.74603	0.8
54.27606	0.9
55.01866	1.2
55.05502	3.9
57.03430	0.9
57.07064	1.1
67.05503	6.6
69.03419	1.7
69.07066	5.2
69.55673	3.6
69.56105	3.4
71.04991	2.0
79.05485	5.0
79.30797	0.9
81.07050	8.9
83.04985	2.2
83.08604	2.4
88.15160	0.8
91.05494	3.0
93.07028	5.9
95.04950	3.1
95.08606	7.2
97.06525	9.2
97.10167	1.4
99.08083	1.4
103.02457	1.0
103.05364	0.8
105.07039	7.7
107.04916	1.1
107.08599	6.1
109.06530	4.4
109.10159	6.9
111.07355	1.7
111.08077	18.6
117.07048	0.9
119.08582	3.1
121.06498	2.9
121.10141	6.7
123.08069	2.3
123.11694	5.4
125.09618	2.0
127.11179	1.4
131.08591	1.3
133.03505	1.6
133.10126	3.5
135.08080	5.8
135.11690	3.3
137.09648	1.8
139.11128	1.0
145.10167	3.3
147.11699	5.7
148.04771	1.2
149.09634	2.8
149.13245	2.3
151.11183	3.3
159.11714	2.7
161.09653	2.2
161.13223	1.6
163.11174	8.4
164.12068	1.3
173.13293	1.3
177.12753	2.0
189.12755	17.2
201.16402	1.6
204.15120	17.9
219.13937	2.4
219.17439	100.0
220.17728	2.1
237.18486	3.6
237.22118	1.2
237.52306	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1848
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
53.03934	3.8
55.01855	2.5
55.05508	60.4
56.68002	2.4
56.96566	2.3
57.03429	6.0
57.07069	4.7
59.05001	3.5
65.03925	2.7
67.05499	20.4
69.03431	6.7
69.07079	16.8
69.52028	20.3
71.04995	31.6
73.06555	22.6
74.95139	2.5
78.47838	2.5
79.05502	16.5
81.07054	45.1
83.04481	4.4
83.04978	80.9
83.08617	6.5
85.06546	4.7
91.05482	17.8
93.07040	27.2
95.04967	12.7
95.08598	22.7
95.12682	2.4
97.06511	15.5
98.20750	4.1
98.97556	5.6
99.04427	2.9
99.08086	10.7
99.47995	2.2
103.05457	6.4
105.07029	100.0
107.04945	4.6
107.08601	28.2
108.82684	2.1
109.06532	9.1
109.10143	31.4
111.08088	13.2
115.05463	3.4
116.98648	3.4
117.07014	5.7
119.08584	11.6
121.06499	5.9
121.10137	40.3
122.09674	12.4
123.08086	7.0
123.11707	19.1
125.09617	3.6
127.07571	2.9
127.11186	8.6
131.04987	3.0
131.08548	8.0
133.10121	37.8
135.04424	3.2
135.08011	3.1
135.11685	10.8
137.05928	2.7
137.09647	4.1
139.11200	21.8
145.06581	3.3
145.10132	11.5
147.11700	10.1
148.07538	12.5
149.02361	5.0
149.09549	4.6
149.13232	10.5
151.11197	38.6
153.12740	3.4
155.10649	3.8
159.11731	16.2
161.13242	4.4
163.07535	5.2
163.11188	4.6
173.13196	2.3
176.14383	4.4
177.05481	5.5
177.12718	5.6
177.16306	2.9
191.07002	18.8
191.17935	2.7
193.04950	4.7
201.16406	9.0
202.12224	2.6
207.09778	2.7
219.06499	5.7
219.17436	20.6
220.13307	9.1
220.17801	3.3
237.07455	12.9
237.14793	4.5
237.18527	24.2
237.22176	3.4
238.14403	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	237.1485
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
53.03954	3.1
55.01868	9.8
55.05515	20.1
55.94883	2.6
57.03442	3.3
57.07064	10.5
61.14999	2.4
65.79955	2.7
67.05498	26.3
69.03426	9.2
69.07064	20.1
69.61339	19.7
70.06594	5.6
71.04984	8.2
71.08625	4.3
73.15764	3.1
74.06057	3.3
79.05068	3.8
79.05494	43.5
81.03412	7.4
81.07057	32.0
83.04982	19.8
83.08608	9.9
84.08150	3.8
85.02893	16.5
85.06530	4.4
86.09706	3.9
87.04466	5.2
88.03981	3.1
91.05471	27.5
93.07042	31.0
95.04946	18.7
95.08607	50.0
97.02875	10.3
97.06521	17.9
97.10123	3.1
101.06020	4.6
103.05488	7.5
105.03383	8.9
105.07038	13.9
107.04951	19.9
107.08589	26.7
109.02869	3.5
109.06535	8.2
109.10168	6.0
111.04443	8.4
111.08058	4.4
113.06043	5.3
115.03956	5.0
115.05471	3.7
116.98576	4.9
117.07027	16.7
119.08562	10.0
120.08092	7.0
121.02863	4.7
121.06511	27.9
121.10132	8.3
123.08083	9.5
125.05993	24.1
125.09622	8.4
131.04964	8.3
131.08543	34.4
133.06512	5.6
133.10185	3.2
134.05930	3.2
134.99655	4.5
135.08055	18.8
135.11644	5.3
136.06201	9.4
137.05981	7.5
139.07538	7.3
139.11269	2.8
141.06999	5.3
143.07027	10.1
145.06464	3.9
145.10152	14.5
147.08037	4.5
147.11729	4.2
149.05971	100.0
149.09590	3.0
150.06398	2.7
151.03894	10.9
151.07518	9.4
153.09084	3.6
157.10139	5.9
159.08089	4.1
159.11653	6.0
163.03894	9.5
163.07547	48.1
163.08783	4.1
163.11172	3.1
165.05424	5.6
167.07021	8.3
173.13268	44.8
175.11179	4.4
177.05453	4.6
177.09109	9.5
177.12709	3.7
179.07001	2.8
181.08586	6.8
183.11745	5.8
185.95514	3.0
191.03389	6.3
191.06966	3.8
191.14331	11.3
192.04146	3.9
192.13794	3.5
193.04971	3.2
201.12717	24.2
219.03004	4.0
219.06425	5.7
219.10640	4.8
219.11563	3.1
219.13814	29.8
237.03972	9.5
237.07448	4.5
237.09508	4.1
237.12498	6.0
237.14824	64.6
237.17244	6.2
237.22018	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	237.1484
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
51.59076	1.0
53.03942	1.3
55.01862	2.8
55.05510	7.6
55.61658	1.0
56.96559	2.6
57.03432	1.7
57.07063	6.1
60.52215	1.0
65.03930	1.9
67.05509	16.2
69.03423	1.9
69.07067	16.2
71.04987	3.0
71.08627	2.2
71.59502	1.9
73.06583	1.1
78.33149	1.1
79.05491	17.6
81.03393	1.7
81.07050	24.8
83.04967	4.7
83.08605	4.6
85.06537	2.1
91.05480	10.5
93.06475	1.5
93.07046	21.2
94.96384	1.1
95.04965	13.9
95.08604	14.2
97.06520	3.7
97.10173	1.8
98.97566	3.4
105.07018	7.4
107.04977	5.2
107.08596	14.0
108.05730	8.2
109.06515	23.8
109.10128	7.3
111.08083	3.3
115.05457	2.2
116.98616	3.1
117.07013	7.7
119.08588	6.8
121.06502	12.7
121.10160	8.4
123.08051	5.2
123.11671	2.2
125.09628	1.9
128.51401	1.0
129.07016	1.8
131.08568	6.2
133.10114	4.7
134.99628	1.7
135.08055	10.9
135.11671	5.3
137.09592	2.4
145.06479	3.2
145.10150	4.3
147.11681	1.2
149.02359	2.2
149.09592	3.0
149.13245	4.1
151.07552	4.1
153.09186	1.4
155.08505	1.7
157.10141	2.1
158.99948	1.0
159.08047	1.7
159.11700	7.3
161.09622	1.7
163.07588	5.9
163.11159	1.7
173.09538	1.4
173.13223	2.8
177.09088	3.0
177.12746	4.3
179.10684	1.8
181.08609	6.6
181.09993	1.4
183.11633	3.0
190.53899	1.1
191.14304	3.1
193.04962	1.1
193.10115	1.3
195.10129	2.0
195.11794	1.3
198.03615	1.2
201.12781	5.0
219.10127	1.5
219.13791	7.5
219.17465	2.5
219.21062	1.5
237.14850	100.0
237.22113	7.2
238.15166	2.2
243.14285	2.0
255.14424	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	237.112
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	7.5
58.46094	1.5
59.16062	1.6
63.27370	1.5
65.03584	1.5
75.04491	2.3
78.40125	1.4
79.05492	2.3
81.58916	1.5
86.42871	1.5
91.05476	7.0
95.04957	1.7
97.02883	2.2
98.20743	5.0
100.42005	1.6
102.04659	7.9
103.05465	42.8
105.03811	1.5
105.07017	6.4
107.04914	1.9
117.06929	2.1
119.04920	3.6
121.06501	4.0
122.06805	1.5
130.04144	15.7
131.04922	88.6
132.05276	1.8
133.06464	5.3
135.08038	2.0
145.06471	2.2
147.04449	2.1
148.05191	100.0
149.05536	1.9
157.06625	1.8
160.05276	2.6
161.05984	13.1
162.06726	9.2
163.07538	44.5
166.72528	1.6
175.07587	3.7
181.08687	1.8
195.90254	1.5
201.08998	2.0
204.07813	2.2
229.74271	1.6
237.22264	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0869
Annotation	N-Formyl-D-kynurenine
Peak:m/z	Relative Intensity
53.21399	1.1
55.05499	3.6
57.03412	1.4
57.03672	1.0
57.07055	3.0
60.96392	1.1
67.05499	4.1
69.07049	3.7
70.06583	1.9
71.38276	2.1
74.02429	2.8
75.03220	1.4
78.08418	1.1
79.05484	4.2
81.07047	4.1
83.04969	2.8
83.08605	2.2
91.05475	3.9
93.07038	4.0
94.06554	3.5
95.04976	2.2
95.08038	1.1
95.08598	4.7
97.06538	2.1
103.05474	1.7
105.03385	1.4
105.07030	2.4
107.04943	1.7
107.08589	2.3
109.10156	2.7
110.06003	2.3
115.05470	1.0
117.07039	1.3
118.06551	8.4
119.08586	1.3
120.04444	1.4
120.08080	3.1
121.10156	2.1
123.05603	1.3
124.08617	1.1
125.09623	1.6
128.04965	5.6
130.06546	10.9
131.04919	1.9
131.08536	1.3
132.04465	1.5
133.05186	2.0
134.06000	1.9
135.04413	1.3
135.11685	2.2
136.07584	5.0
146.06006	100.0
147.06400	1.9
148.03928	18.3
149.06015	1.5
150.05505	1.8
157.07610	6.6
158.05966	1.4
163.03850	2.6
163.07477	1.3
164.07065	2.2
166.08620	1.5
173.07126	2.9
174.05510	16.7
174.28304	1.3
177.09045	2.0
178.04929	2.0
188.58159	1.4
191.03381	3.3
191.08176	22.7
192.06493	3.5
200.59480	1.1
202.05090	2.1
203.08156	5.4
216.54689	1.1
218.23038	1.1
220.06058	3.7
237.08960	8.5
237.12540	3.2
237.14859	1.6
237.22073	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	236.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.5
51.04045	0.4
51.28252	0.5
54.46253	0.5
55.05523	1.4
57.07081	1.8
60.01353	0.5
64.45162	0.5
67.05506	1.1
67.88045	0.5
69.03440	0.6
69.07065	0.6
70.40977	1.0
79.05521	0.7
81.07074	0.7
91.05489	2.1
93.07047	1.0
95.08621	0.7
98.97602	0.8
100.11246	0.5
103.05463	16.6
105.07049	0.8
107.05008	0.9
109.06493	0.7
115.05453	2.5
116.06237	0.5
117.07021	12.9
119.08565	0.7
121.06512	1.6
121.10168	0.8
123.04429	4.8
123.22444	0.5
131.04926	43.0
131.08575	2.9
132.05251	0.9
133.06508	0.8
137.05986	6.9
144.05664	1.1
145.06483	24.3
149.05980	100.0
150.06343	1.8
151.07507	0.6
159.08057	4.2
161.05965	1.0
162.06752	2.0
163.07542	35.8
164.07880	0.9
173.13281	0.6
177.09154	3.1
201.12680	1.6
219.13802	48.3
220.14107	1.4
236.16432	40.7
237.16774	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.3
56.05022	0.9
56.96552	0.9
57.07058	3.0
61.54643	0.8
62.65142	0.9
65.37090	0.8
65.71157	0.8
67.05469	1.2
67.12287	0.8
69.03392	1.0
69.07058	1.1
69.90363	2.1
69.90784	3.6
71.04972	1.3
76.88336	0.8
79.05496	1.8
80.53448	0.9
81.07044	3.2
83.08589	1.3
91.05453	3.6
93.07014	2.8
95.04911	0.9
95.08559	1.1
98.97540	1.2
103.05468	14.5
105.07006	3.7
107.08558	2.2
109.06488	1.1
109.10132	1.1
115.05424	2.5
115.43757	0.9
117.06353	1.1
117.07021	13.0
121.06461	3.7
123.04434	5.7
123.07996	0.9
131.04930	45.8
131.08528	3.4
132.05148	0.9
132.08879	0.9
133.10112	1.8
137.06001	6.2
144.05663	1.3
145.05396	1.4
145.06488	23.7
147.11595	1.1
149.05983	100.0
150.06274	3.4
159.08084	5.4
161.05846	1.0
162.06696	2.3
163.07547	31.6
173.13196	1.5
177.09019	2.9
180.10988	1.6
192.13759	3.1
201.12700	1.3
219.10361	2.0
219.13806	49.6
220.14069	1.4
236.16438	44.4
237.16655	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01676	1.4
55.01861	1.5
55.05496	6.5
56.96566	3.4
57.07074	58.1
59.04988	2.7
60.00847	1.4
67.05507	6.8
67.71910	1.4
69.07056	2.4
69.54752	1.3
70.06572	1.5
70.11404	1.3
71.04953	1.6
71.57812	1.5
73.06547	3.7
75.86938	1.3
79.05479	5.8
81.03403	1.7
81.07053	8.0
83.04996	1.4
83.08591	1.7
85.06537	18.4
87.04467	36.1
87.08119	3.2
88.08409	2.4
89.06028	62.2
91.05445	8.3
93.07051	8.2
95.04951	4.9
95.08588	5.7
97.02909	1.3
97.06486	1.6
98.97587	4.7
103.05449	6.6
105.07001	6.2
107.04944	4.0
107.07050	5.0
107.08577	4.2
107.87609	1.5
108.42413	1.4
109.06508	4.5
109.10138	3.3
116.98595	4.3
117.07014	4.2
119.08584	3.9
120.08069	5.6
121.06470	3.2
121.10130	2.5
123.04420	4.5
123.08023	2.5
125.00092	1.3
128.06169	2.0
129.06999	1.9
129.09129	10.6
130.06491	4.2
131.04935	7.8
133.08589	12.8
133.10103	4.2
134.99686	2.8
135.08064	1.7
135.11697	2.3
137.05963	2.1
137.09627	2.4
143.08519	2.1
145.06502	2.1
145.22327	1.5
147.11566	1.9
149.05966	11.6
151.03905	1.8
153.01852	3.2
158.02554	1.5
161.09651	3.0
163.07524	6.6
163.11234	1.3
165.09134	1.3
175.03941	2.3
175.07504	2.5
175.11284	1.6
177.00716	2.1
177.11256	2.1
179.10681	33.8
186.99126	2.6
189.09142	2.5
189.12720	2.7
189.16464	2.0
193.08575	1.7
210.68822	1.4
217.04915	2.1
217.12234	2.7
219.13800	4.6
224.09843	2.1
235.05994	11.1
235.09584	4.6
235.16920	100.0
235.20668	3.4
236.16528	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	235.1328
Annotation	Dehydrooreadone
Peak:m/z	Relative Intensity
50.46769	1.6
53.03926	4.5
55.01852	5.9
55.05514	11.1
55.40516	1.3
56.96548	4.6
57.03405	1.8
57.07075	46.3
62.15714	1.3
63.78267	1.3
67.05498	14.7
69.03428	7.4
69.07057	7.8
70.06583	1.7
70.94038	3.3
71.01357	1.6
71.04971	5.1
72.88379	1.3
75.27882	1.3
79.05493	31.0
81.03381	3.2
81.06586	2.3
81.07053	45.0
81.50287	1.4
83.04980	8.1
85.06528	2.1
91.05476	26.5
93.06483	2.1
93.07040	35.1
95.04971	13.9
95.08592	14.1
97.02891	2.5
97.06528	14.1
98.97588	4.4
99.04433	4.9
103.05482	1.7
105.07027	35.1
107.04978	8.1
107.08590	18.8
109.06519	26.6
109.10127	6.4
111.08091	2.7
115.05422	4.1
116.98597	3.2
117.07012	7.1
118.98422	1.4
119.04964	3.2
119.08567	21.6
121.02838	1.9
121.06502	76.2
121.10128	6.9
123.04424	8.5
123.08051	5.9
123.11687	2.7
125.05950	2.8
125.09583	1.8
126.75442	1.4
127.07542	10.5
128.06192	5.1
129.07021	10.3
129.65517	1.6
131.04913	2.2
131.08559	10.0
133.06467	6.3
133.10132	11.4
134.99657	4.3
135.04404	5.0
135.08052	16.0
137.05919	7.3
137.09601	4.7
139.07530	3.5
141.06950	2.1
142.07799	8.7
143.08559	14.2
145.06459	3.6
145.10118	9.7
147.04370	1.9
147.08023	6.5
147.11674	18.0
149.05971	1.4
149.09648	11.3
151.03976	1.6
151.07507	1.5
151.11162	1.4
153.06981	1.7
153.61557	1.5
155.08611	1.7
156.09331	4.7
157.06450	3.1
157.10120	17.6
158.07245	1.6
159.08064	2.9
159.11664	3.4
161.05960	5.7
161.09607	4.4
161.13232	7.0
162.06540	1.7
163.07553	2.6
165.09140	1.7
165.12756	2.3
166.07735	2.1
171.08060	1.8
171.11670	19.5
173.09648	2.6
173.13211	3.2
175.07544	5.1
175.11168	29.6
175.14740	1.6
176.07944	2.1
177.00694	5.1
177.12688	2.6
179.10680	28.9
180.54111	2.3
181.10083	4.1
189.09113	4.6
189.12749	17.5
189.16264	1.8
191.07074	2.4
191.17674	1.5
193.12323	2.7
199.11168	20.4
217.08835	2.4
217.12222	38.8
217.15820	4.4
217.19370	2.0
218.12508	3.2
235.06003	5.5
235.09624	6.2
235.13382	22.1
235.16916	100.0
235.20665	4.5
237.02872	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1326
Annotation	Pterosin N
Peak:m/z	Relative Intensity
53.03939	5.9
55.01868	6.0
55.05509	6.5
57.03423	1.2
57.07072	15.1
57.95959	1.2
60.71555	0.9
67.05506	12.6
69.03427	4.0
69.07067	5.1
71.01364	1.2
71.04981	4.6
74.31699	0.9
79.05491	38.3
81.03439	1.6
81.07055	55.2
82.07359	1.0
83.04980	8.9
85.02902	1.3
89.04990	1.0
91.05483	22.4
93.07043	41.8
95.04969	15.4
95.08591	8.2
97.06530	14.5
98.20779	4.6
99.04472	7.5
99.10556	1.0
101.06044	1.3
103.05464	2.3
105.07026	35.1
107.04945	12.2
107.08589	16.6
109.06514	37.9
109.10150	2.8
111.04421	1.7
113.05963	1.7
113.72942	1.4
115.05470	2.8
117.07005	5.7
119.04952	2.4
119.08572	19.8
120.24038	1.1
121.06502	100.0
121.10130	2.4
123.04431	5.0
123.08067	4.8
125.06021	2.0
127.07562	16.7
128.06239	4.6
129.05457	1.1
129.06987	10.5
131.04944	1.8
131.08565	7.8
133.06483	7.2
133.10143	11.2
135.04439	5.9
135.08044	12.6
137.05951	6.8
137.09569	1.0
139.07532	4.0
141.07024	2.5
142.07759	9.1
143.08572	14.4
145.06473	3.6
145.10133	8.9
147.08012	6.8
147.11681	18.7
149.05948	2.7
149.09621	3.8
149.13268	1.9
151.07469	1.4
155.08539	3.2
156.09334	8.3
157.06526	1.8
157.10118	20.8
158.04924	1.0
159.08069	1.8
160.08829	2.0
161.05983	3.0
161.09631	3.4
161.13257	4.6
165.06996	2.3
165.12796	2.2
166.07738	4.9
167.07018	1.1
167.57320	1.1
171.08018	2.9
171.11682	22.5
173.09624	3.2
173.13271	1.4
175.07591	3.3
175.11182	38.9
175.14880	1.7
179.10658	9.0
181.10156	6.5
184.08858	2.6
189.09145	2.6
189.12744	21.9
191.08244	2.1
199.11165	30.9
205.05104	1.3
217.10185	1.5
217.12221	44.3
217.15845	2.9
217.19652	1.2
224.10088	1.2
230.06020	1.1
235.09653	4.0
235.13324	20.1
235.16914	31.0
235.20500	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0962
Annotation	Coumarsabin
Peak:m/z	Relative Intensity
53.03936	0.5
53.96122	0.3
55.01847	0.6
55.05510	1.7
55.26937	0.3
55.70959	0.3
56.96566	0.5
57.07076	11.1
63.44391	0.3
67.01871	0.5
67.05512	2.8
68.99806	0.5
69.03426	0.6
69.07067	1.7
70.10442	1.7
71.04990	0.9
76.43593	0.3
79.05494	2.0
81.03405	0.7
81.06638	0.4
81.07061	4.8
82.85622	0.3
83.04980	0.5
83.08607	0.7
85.02898	0.5
91.05471	2.2
93.07047	2.4
95.04959	1.5
95.08607	4.2
97.06504	0.9
103.05443	0.6
105.07037	3.1
107.04963	0.8
107.08607	3.0
109.02890	0.5
109.06514	1.4
109.10146	1.8
111.08083	0.7
113.06058	0.5
115.05452	1.3
117.06983	1.1
119.08581	3.7
121.06515	1.7
121.10119	1.9
123.04411	1.9
123.08071	1.3
123.11706	0.8
125.09582	0.5
128.06161	0.3
129.06998	1.0
131.08551	0.7
133.06468	0.6
133.10143	2.6
135.08063	0.7
135.11685	0.8
137.05951	1.2
137.09624	0.7
137.13220	0.5
143.08583	0.5
145.06490	1.7
145.10080	0.9
147.04385	1.0
147.08051	1.2
147.11694	2.4
149.09644	0.5
149.13278	0.5
151.03905	0.6
151.07530	0.6
153.01834	2.8
157.10089	0.7
159.11691	0.9
160.05267	0.3
161.05981	0.8
161.09593	1.2
161.13252	0.9
163.03799	0.6
173.05978	1.0
175.07549	1.5
175.11227	0.6
175.14755	1.5
177.12759	0.4
179.03381	1.0
179.08360	0.4
179.10678	7.6
189.09108	0.6
189.12738	0.5
189.16400	1.0
190.06265	0.9
191.07040	0.6
192.04172	11.9
193.04970	11.0
194.05243	0.4
199.14713	0.5
203.07086	0.4
205.04965	23.1
206.05742	19.0
207.06238	0.7
217.08551	0.8
217.15923	1.7
217.19414	0.9
235.09647	100.0
235.16913	23.3
235.20677	1.4
236.09979	3.2
236.17224	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0964
Annotation	Coumarsabin
Peak:m/z	Relative Intensity
55.01858	0.2
55.05513	0.3
56.40758	0.1
57.03421	0.2
57.07080	1.4
62.81234	0.1
67.05494	0.4
67.80500	0.2
68.99801	0.2
69.07053	0.4
69.84441	0.1
70.23997	0.6
79.05477	0.4
80.74371	0.2
81.03396	0.2
81.07027	0.7
91.05463	0.4
93.07021	0.6
95.08576	0.6
105.07013	0.6
107.08559	0.4
109.06526	0.3
109.10118	0.3
115.05430	0.3
117.06980	0.3
119.08542	0.5
121.06529	0.3
121.10120	0.4
123.04422	0.4
123.11730	0.2
129.06955	0.2
133.10117	0.4
137.06027	1.0
137.21104	0.2
145.06491	0.4
147.04396	0.3
147.08058	0.3
147.11679	0.3
149.09674	0.2
149.13217	0.2
151.07516	0.2
153.01828	1.9
154.02641	0.2
161.05975	0.2
161.09698	0.2
161.13211	0.2
163.03854	0.4
164.04726	0.2
165.05515	0.2
172.04242	0.2
173.05919	0.2
175.07617	0.3
178.02579	0.4
179.03387	1.2
179.07053	0.2
179.10680	0.9
192.04176	8.8
193.04974	7.5
200.32808	0.1
205.04962	24.8
206.05742	23.3
207.06349	0.9
217.08617	0.2
217.15894	0.2
220.07320	0.5
225.99762	0.2
235.09651	100.0
235.16867	3.4
236.09958	3.2
247.73477	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	235.0964
Annotation	GTRI-02
Peak:m/z	Relative Intensity
55.01856	3.3
55.05504	8.5
56.96529	1.2
57.03432	1.8
57.06831	1.5
57.07075	21.3
59.04977	2.0
60.23668	1.2
61.82018	1.1
65.03931	3.2
67.05173	1.8
67.05502	23.7
68.61274	1.0
68.99774	2.4
69.03420	1.8
69.22917	1.2
71.04966	1.4
71.58475	1.7
75.33899	1.1
77.03907	1.3
79.05491	7.6
79.06390	1.1
81.03411	3.4
81.07059	10.7
83.04976	2.7
85.02896	7.2
85.06540	39.7
87.01893	1.1
91.05479	19.9
93.07054	6.5
95.04959	4.3
95.08603	6.0
97.06538	1.4
103.05470	1.5
105.07035	14.6
105.89779	1.1
107.04935	4.7
107.08592	4.0
109.02848	2.7
109.06526	7.7
109.10170	2.6
115.05434	3.4
117.07024	3.3
119.04958	5.7
119.08566	9.2
121.02853	3.1
121.06481	4.2
121.10141	3.8
123.04414	9.4
123.08096	6.0
125.02349	1.9
127.03852	2.2
128.06235	11.9
129.06972	3.5
131.08568	2.0
132.05696	2.2
132.92386	1.2
133.06474	8.0
133.10129	6.8
135.04399	3.6
135.08035	1.9
135.11678	1.8
137.05974	5.0
137.09552	1.4
143.08536	12.7
145.06476	8.6
145.10069	1.7
146.07269	2.2
147.04405	100.0
147.08028	11.2
147.11703	3.5
148.04767	1.9
149.02393	1.8
149.05946	2.9
149.09599	2.5
150.03087	4.9
151.03882	6.4
151.07539	2.1
157.06340	1.5
160.05179	2.9
161.02310	1.6
161.05988	12.5
161.09615	13.0
162.06201	1.2
163.03900	7.9
163.07541	3.5
165.05498	12.1
171.08055	11.0
173.05968	4.3
174.06770	5.3
175.04005	6.4
175.07536	14.1
177.05469	14.3
179.03383	7.3
179.07007	2.1
179.10674	9.1
184.05182	3.3
188.04674	8.6
189.05493	2.4
189.07376	2.9
189.09100	57.1
190.09341	1.7
191.07043	6.3
192.07817	3.0
193.05051	2.2
193.08597	3.4
199.07530	13.3
202.06331	1.3
206.05780	2.0
207.06630	2.0
207.10094	6.5
217.08595	81.5
217.15778	2.0
217.19507	1.4
218.08902	3.5
235.09647	93.6
235.16890	31.8
235.20547	1.8
236.09973	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	235.0964
Annotation	Coumarsabin
Peak:m/z	Relative Intensity
51.59972	0.2
57.07074	2.4
67.05490	0.3
69.07057	0.4
69.41425	2.5
79.05479	0.6
81.07060	0.4
91.05464	0.4
93.07053	0.8
95.08582	0.5
98.20693	0.4
109.10107	0.3
114.68897	0.2
119.08630	0.2
123.04414	0.8
133.10124	0.3
140.89615	0.2
146.70081	0.3
153.01872	0.4
179.03450	1.6
179.10683	2.2
193.05144	0.4
205.04962	32.7
206.05748	32.3
207.06288	1.1
220.07295	0.5
228.46104	0.3
235.09654	100.0
235.16890	5.4
236.10011	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	234.1486
Annotation	Methylphenidate
Peak:m/z	Relative Intensity
50.69226	1.1
55.01874	1.7
55.05496	6.8
57.07066	3.3
58.06584	4.8
69.06729	1.6
69.07069	22.4
69.62714	6.4
69.63124	3.4
72.08126	4.7
79.05478	3.7
81.07048	4.9
91.05470	8.4
97.06504	2.2
98.06852	3.4
98.09689	1.8
98.97588	1.5
103.05454	6.6
105.07013	6.0
115.05466	9.4
116.06168	1.5
117.07006	4.2
118.06551	2.6
119.04926	2.6
119.08551	2.5
123.04427	18.7
125.28226	1.6
128.06238	8.2
129.07019	27.1
130.04163	2.8
131.04927	15.0
133.06497	2.7
136.06213	2.4
137.05965	8.4
138.06296	1.9
142.07747	2.6
143.04927	9.4
143.08589	6.8
144.05733	1.8
145.06496	6.7
146.06010	3.3
147.04410	14.7
147.08014	2.9
148.05203	10.1
149.04807	2.2
149.05969	39.5
156.09332	3.5
157.06474	20.1
160.05197	8.1
161.05978	77.0
162.06723	9.7
163.07558	3.2
164.07063	100.0
165.07274	1.6
165.80016	1.3
169.06491	1.6
170.07237	2.8
171.07976	8.0
171.11665	11.3
173.05986	3.5
175.07544	76.4
177.44058	1.2
184.08795	2.9
188.08238	6.7
189.09039	6.1
199.11148	12.3
217.12228	78.8
218.12575	1.9
234.14882	68.7
235.05995	3.6
235.17139	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	234.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29257	1.8
55.05512	7.8
57.03438	2.3
57.07072	2.2
58.06586	4.4
69.03387	1.3
69.07066	18.5
69.87363	5.4
69.87769	2.1
72.08144	5.0
78.73552	1.2
79.05479	3.2
81.07054	7.8
91.05489	8.3
93.74765	1.3
103.05470	7.5
105.07021	12.3
105.21207	1.2
106.06565	2.6
108.08042	1.4
115.05475	8.5
116.06198	2.3
117.06992	3.1
119.03535	2.7
119.04971	2.5
120.08099	3.4
123.04417	15.9
128.06268	4.4
129.07004	26.8
130.04106	2.1
130.14865	1.5
131.04930	16.9
133.06502	2.4
136.06181	67.5
137.04596	3.3
137.05989	10.2
142.07756	2.1
143.04910	10.6
143.08545	6.1
144.05710	1.9
145.06505	5.1
146.05989	3.8
147.04401	15.8
148.05186	8.1
149.05974	37.6
151.07507	2.7
157.06483	18.8
157.07605	2.2
160.05219	9.4
161.05978	66.5
162.06760	11.7
163.07581	4.5
164.07063	100.0
170.07356	2.4
171.08054	8.1
171.11694	7.7
173.05969	2.4
174.06834	1.7
175.07544	69.1
184.08862	2.2
184.67242	1.4
188.08363	4.8
189.09109	9.1
198.04648	1.3
199.11195	10.3
201.13545	1.5
217.12242	70.3
234.13139	13.2
234.15280	48.7
234.18591	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	234.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61002	0.3
55.05516	2.0
57.03204	0.5
57.03433	1.8
57.07095	0.6
58.06617	0.7
62.47740	0.3
69.07063	2.5
70.15303	0.7
70.15690	0.9
72.08167	0.8
79.05506	2.0
81.07066	5.0
91.05489	2.0
94.04089	1.4
95.05037	0.4
95.07389	0.4
98.20814	0.6
98.97637	0.4
103.05463	1.6
105.07048	0.9
106.06581	0.8
115.05482	1.4
116.98643	0.3
117.07023	0.8
118.06569	0.5
119.03562	2.9
119.04922	0.8
119.08617	0.6
120.08111	0.9
121.06501	0.7
123.04462	2.5
128.06235	1.1
129.07019	3.2
131.04918	2.4
133.06526	0.5
136.06190	100.0
137.04590	2.7
137.05940	1.3
142.07834	0.4
143.04898	1.2
143.08559	1.2
144.05717	0.6
145.06473	0.8
146.05991	0.6
147.04424	3.3
147.08018	0.9
148.05220	1.6
148.06216	0.5
149.05988	5.2
157.06508	2.1
160.05177	1.2
161.05995	9.8
162.06639	0.8
164.07076	11.9
170.07266	0.6
171.07996	1.0
171.11729	0.9
175.07547	10.1
184.08795	0.5
188.08391	0.6
189.09012	0.7
190.10835	1.0
192.06645	0.5
194.22758	0.4
199.11214	1.7
217.10265	0.4
217.12248	9.0
234.13382	45.2
235.13614	1.5
235.16864	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1123
Annotation	Phyllantidine
Peak:m/z	Relative Intensity
51.02368	0.3
53.03931	0.6
55.05508	0.3
56.96557	0.4
57.07077	0.3
67.38432	0.2
69.07058	0.3
71.33865	0.1
71.57702	0.2
72.08164	0.2
77.03920	0.3
79.05490	6.2
81.07066	0.4
84.04517	0.5
84.08156	0.2
85.02911	1.4
91.05482	0.4
93.07056	0.2
95.04976	1.6
97.02878	0.2
98.97572	0.4
102.05544	0.2
103.05467	4.9
105.07027	100.0
106.06560	0.7
106.07368	1.7
116.98617	0.5
118.06565	0.2
120.08086	0.9
122.09682	1.2
129.07004	0.4
130.04997	2.0
130.06555	0.2
131.04926	1.1
133.06479	0.2
136.06180	6.2
136.07193	0.3
137.04625	0.3
147.04491	0.2
149.05971	0.2
158.99785	0.2
161.06047	0.5
164.07060	0.6
175.07561	0.8
177.00768	0.4
179.10667	0.2
188.10712	0.2
191.27463	0.2
199.11215	0.2
206.08131	0.2
206.11823	0.4
208.93053	0.2
209.98532	0.2
217.12244	0.6
219.74289	0.2
234.11261	42.0
234.13416	3.3
235.11624	1.1
235.13521	0.2
235.16925	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.2
53.44220	2.8
56.05024	11.4
56.96536	3.8
57.03440	3.9
57.05361	3.7
58.00895	2.9
58.06569	4.0
58.79636	3.5
66.98458	3.0
68.05029	8.2
70.02959	5.1
70.06586	6.3
70.07368	3.5
71.04966	3.8
71.57217	7.2
72.08147	10.9
72.93804	4.3
74.02438	100.0
74.02855	4.9
74.06076	61.2
75.06401	21.9
79.05489	49.7
79.61367	3.6
79.92279	3.0
80.05000	12.7
81.03406	6.5
81.07032	7.2
82.06575	3.5
83.04955	4.3
84.04491	6.3
84.08146	5.7
85.02901	5.3
86.09698	10.9
87.10036	6.8
91.05477	14.3
93.05809	3.6
94.06554	9.3
95.04964	10.6
97.06522	15.1
106.06551	50.7
107.04291	5.4
107.04955	62.4
108.08107	4.5
109.02915	4.0
109.06499	3.6
110.05996	6.1
110.07218	4.1
118.06532	19.4
119.04939	7.8
120.08098	7.2
121.06506	3.3
124.07600	8.1
125.05199	3.7
125.05961	19.5
132.10211	5.5
133.10538	7.9
134.06004	57.0
135.04420	12.9
136.07558	17.1
139.03836	4.3
139.06287	3.9
142.04964	3.2
152.07079	53.0
162.05516	4.6
170.08125	10.9
180.06581	30.6
188.09196	7.5
188.10837	3.9
188.14722	5.8
191.03906	3.8
198.07574	28.6
210.96989	3.2
216.08650	24.8
228.97771	4.2
234.09689	34.0
234.15149	5.0
234.18190	5.7
247.94815	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	233.1535
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
51.72245	1.8
53.03951	4.3
55.01848	1.7
55.05514	9.1
56.96558	4.7
57.07058	4.6
59.04998	2.7
59.40300	1.8
65.03934	3.8
67.05495	12.2
69.03429	19.1
69.07050	5.0
70.55684	7.2
71.04978	5.4
77.17107	1.7
79.05492	41.8
81.03407	2.2
81.07049	15.1
83.04967	3.8
83.08611	6.6
83.90754	1.7
85.06535	5.9
90.56358	1.6
91.05479	29.5
93.07037	24.6
95.04969	31.6
95.08624	12.3
97.06499	2.7
103.05494	2.5
105.07027	27.3
106.08704	2.2
107.04950	36.3
107.08585	24.7
109.02869	3.0
109.06513	10.2
109.10160	8.9
111.08076	4.9
113.05996	4.4
115.05423	4.3
117.07016	11.4
119.04881	2.5
119.08575	100.0
121.06494	10.0
121.10131	18.8
121.62586	1.8
123.08051	6.8
123.11716	4.2
125.09658	2.0
127.41674	2.1
128.06143	2.8
129.07002	5.2
130.07796	4.9
131.08569	29.2
133.06451	6.3
133.10127	15.0
135.08035	7.7
135.11691	3.2
137.09612	9.0
139.03938	2.7
142.07762	2.5
143.08533	8.1
144.05692	2.6
145.06499	3.8
145.10114	40.7
147.08040	30.1
147.11690	12.0
149.09622	15.7
149.13235	3.4
151.11082	1.9
155.08525	4.8
156.09325	4.6
157.10139	7.4
158.10902	5.6
159.08078	10.4
159.11661	9.8
160.08765	2.3
161.05975	2.1
161.09543	2.8
161.13348	2.4
163.11205	9.2
163.14815	2.6
167.08543	4.2
169.10133	5.1
171.11665	8.3
172.12381	2.4
173.09625	12.3
173.13257	18.0
175.11131	12.7
177.09106	6.9
182.10898	8.6
187.07396	2.4
187.11182	7.5
187.14819	15.1
189.12682	10.1
189.16373	3.1
191.14297	40.8
197.13219	8.7
205.08638	4.4
205.15848	4.0
215.06915	2.8
215.14334	15.8
215.17976	3.8
233.08058	7.2
233.11639	5.7
233.15356	88.5
233.19057	4.2
233.23006	18.7
234.15410	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	Hypacrone
Peak:m/z	Relative Intensity
51.07289	0.8
53.03935	3.8
55.05508	6.3
56.96524	1.0
57.07078	4.4
61.43179	0.8
67.05495	4.0
69.03423	7.2
69.07058	2.8
71.04998	1.3
71.32559	1.9
72.00660	0.8
77.03911	1.6
79.05493	67.6
81.07050	5.5
83.04995	2.4
83.08635	5.7
85.02883	0.9
85.06525	2.8
91.05480	10.1
93.07050	7.8
95.04557	0.7
95.04980	8.4
95.08586	3.9
97.06503	1.3
105.04506	1.4
105.07025	14.1
107.04955	70.2
107.08591	13.5
109.06513	2.6
109.10176	1.5
111.08109	5.5
117.07043	4.4
119.08573	16.3
121.06486	2.9
121.10150	9.2
123.08048	2.2
123.11739	1.4
125.09628	3.3
129.07014	2.3
130.07765	1.3
131.08572	14.8
133.10139	8.2
135.08046	3.2
135.11655	1.8
135.21953	1.0
137.09616	5.1
142.07826	1.9
143.08574	2.2
144.09294	0.9
145.06448	1.4
145.10139	14.4
146.10939	1.3
147.08060	16.5
147.10638	1.6
147.11696	16.8
149.09596	8.5
149.13268	5.2
152.31282	0.9
153.09210	1.4
155.08531	1.1
157.10152	5.1
158.10915	2.5
159.08047	1.6
159.11696	2.3
160.08833	2.2
161.09625	0.9
163.11134	4.6
171.11694	1.9
173.09567	2.0
173.13286	11.3
175.11191	20.4
182.10896	1.1
187.14743	4.2
189.12753	4.2
191.14305	79.5
197.13219	1.3
215.07159	1.2
215.14389	4.9
215.17926	0.9
233.15366	100.0
233.18726	6.4
234.15656	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1534
Annotation	Swartzianin D
Peak:m/z	Relative Intensity
51.52476	1.5
53.03926	2.7
55.05487	6.5
56.96553	2.0
57.07049	3.5
61.20755	1.4
67.05491	4.9
69.03409	5.9
69.07059	3.7
69.47014	1.5
71.04974	2.8
79.05492	70.8
81.07076	7.9
83.04981	2.4
83.08608	7.3
86.60919	1.7
91.05468	9.6
93.07050	8.2
95.04417	1.6
95.04940	9.7
95.08568	5.6
105.07040	12.1
107.04954	65.6
107.08581	11.2
111.08052	5.6
117.06963	3.4
119.08585	9.0
121.06481	4.7
121.10104	10.2
123.07995	1.9
129.06956	2.0
131.08569	7.7
133.10112	7.9
135.08049	2.3
143.08522	2.2
145.10107	5.6
147.11684	9.9
149.09593	7.4
149.13246	4.7
157.10165	3.7
159.11642	3.1
160.07530	1.9
160.08792	2.1
171.83456	1.6
173.09543	1.9
173.13237	6.3
175.11147	11.7
177.09093	3.0
187.14880	2.7
191.14299	76.3
215.14339	4.3
233.08069	2.7
233.11938	7.8
233.15350	100.0
233.18996	3.3
234.15622	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1535
Annotation	6,7-Dehydroartemisinic acid
Peak:m/z	Relative Intensity
51.44286	1.1
53.03949	2.1
55.05513	7.0
56.70963	1.2
56.96561	1.2
57.07057	3.8
57.94851	1.0
58.59020	1.0
58.90996	1.0
67.05505	18.8
69.07069	6.9
71.58624	1.9
72.10732	1.3
73.02918	1.7
79.05501	12.4
81.07062	33.7
82.51900	1.0
83.04990	1.4
83.08607	2.0
91.05476	21.5
93.07047	26.5
95.04959	3.3
95.08604	31.2
97.06503	1.2
97.10155	1.2
103.05486	1.2
105.07030	35.9
107.04975	2.4
107.08595	18.7
109.06496	2.4
109.10161	10.5
115.05436	2.0
116.48512	1.2
117.07003	8.1
119.08580	18.4
121.06477	3.7
121.10138	8.4
123.08054	1.2
123.11696	3.2
125.05975	2.8
128.06281	1.6
129.07028	3.0
131.08563	37.8
133.06458	1.5
133.10103	8.2
135.08099	2.4
135.11678	4.8
137.05992	2.3
139.07524	1.6
141.06979	1.3
143.08572	2.9
144.09274	1.1
145.10123	38.0
145.11282	1.8
147.08023	1.4
147.11719	8.9
149.09647	2.2
149.13231	2.1
151.07523	3.1
155.08517	2.7
156.09302	1.5
157.10098	2.7
159.08078	5.2
159.11714	21.0
161.13258	14.5
163.07584	3.0
167.23012	1.1
169.10118	4.1
171.11661	1.7
173.09641	2.8
177.05502	2.0
177.09137	10.2
178.06281	2.6
185.13301	1.3
187.14824	100.0
188.15138	3.1
189.16316	2.1
191.10658	3.1
197.13255	7.8
205.15829	3.7
215.14316	20.6
215.17809	1.2
217.15924	2.5
233.11720	2.7
233.15358	43.9
233.18901	12.3
233.22604	5.3
234.15616	1.3
235.43724	1.2
239.19586	1.1
253.74648	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1496
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
51.02171	0.3
55.05507	0.6
56.05035	17.9
56.96561	1.8
57.03441	2.4
57.07061	0.4
58.06600	3.6
69.07081	0.5
70.06596	0.7
70.83481	0.7
70.83852	0.6
72.08165	1.3
72.93796	0.3
73.10303	0.4
74.06081	100.0
75.04488	0.7
75.06425	0.5
84.04507	2.9
84.08156	0.4
86.09705	23.0
86.14857	0.5
91.05502	0.5
98.97581	0.5
101.07145	2.5
102.20104	0.4
107.08573	0.4
116.98647	0.6
128.98743	0.4
132.10207	15.2
142.12299	0.9
143.11818	0.8
145.03522	0.4
146.99667	0.6
150.96913	0.5
161.02927	0.5
169.13411	1.7
175.04442	0.5
187.14406	7.9
187.15945	0.5
190.98756	0.8
208.99797	0.7
215.13907	2.1
233.04536	0.9
233.14995	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	233.1495
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
51.51931	1.2
55.01871	4.1
56.05024	1.6
56.96563	2.3
67.05498	2.1
69.03419	2.2
69.07046	1.3
71.05025	1.3
71.08633	24.2
71.31714	1.8
71.32061	2.2
72.04499	4.2
73.02899	2.9
74.02444	18.9
79.05486	3.4
81.03414	1.5
81.07065	2.0
82.02942	30.0
83.01335	2.6
84.04502	6.3
85.02907	1.7
86.09714	3.5
88.11272	80.2
91.05473	4.9
93.07071	2.8
95.04968	2.1
95.08603	1.8
96.04497	2.1
96.91954	1.1
99.00771	1.7
100.03984	6.6
103.05466	4.1
105.07026	3.8
107.04967	3.1
115.05467	2.5
117.07012	3.3
118.05000	4.8
119.08620	1.4
121.06530	3.1
123.04431	1.5
123.08083	1.1
128.06195	1.9
131.04906	2.5
131.08546	1.8
133.06485	2.1
135.08054	1.9
136.06184	4.7
141.01740	1.4
141.13853	4.1
142.12219	1.2
145.06520	3.3
145.10126	4.4
146.04477	11.6
146.06041	2.5
149.05951	2.8
159.08072	1.9
161.05978	2.7
165.01855	5.5
167.06996	2.0
169.13370	100.0
170.11783	2.6
173.05940	1.4
173.09695	2.1
173.13292	1.5
174.06754	2.3
180.05956	1.5
183.02872	9.8
187.07404	2.0
187.11136	2.4
187.14464	3.4
189.09140	5.9
191.06949	2.5
198.11224	7.1
205.04967	2.1
205.08643	2.0
205.12277	1.4
215.07005	2.5
215.10736	1.7
215.13963	15.3
216.12328	64.6
217.12590	1.6
233.04419	1.9
233.08060	5.2
233.11670	4.5
233.15086	13.8
233.18954	1.3
234.13496	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1495
Annotation	Leu-Thr
Peak:m/z	Relative Intensity
50.20882	1.3
55.01864	2.0
69.00128	1.2
70.70783	3.3
70.71157	2.4
71.08629	22.7
72.04515	3.6
73.02905	4.0
74.02435	24.1
80.52427	1.4
82.02940	31.4
82.25098	1.3
83.01350	4.0
84.04492	2.0
85.02902	2.0
86.09695	6.8
86.93893	1.5
88.11266	69.6
91.05478	1.5
96.04527	1.5
99.05576	1.6
100.03963	9.2
101.02345	2.9
103.05463	2.1
118.05003	7.9
119.03471	1.7
131.04865	1.9
141.13837	5.5
146.04474	33.3
156.47307	1.3
169.13361	100.0
170.13544	1.7
187.14426	3.3
198.11246	6.1
215.13889	14.1
216.12309	57.2
233.15021	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	233.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04528	0.5
53.03951	1.2
55.01870	3.7
55.05500	1.7
65.03932	2.2
67.05505	4.3
69.03411	1.6
69.07067	33.0
69.47310	1.0
69.47716	3.8
75.83129	0.5
78.50240	0.5
79.05068	0.7
79.05495	10.1
81.07047	5.0
83.04973	0.8
85.46152	0.5
91.05479	46.0
93.07043	3.8
95.04975	2.5
95.08598	2.0
95.61900	0.5
97.06533	24.3
98.97527	0.6
99.04456	1.0
100.11238	0.5
103.05475	0.6
105.07026	7.7
107.04947	3.1
107.08611	2.7
109.06531	3.1
109.10122	1.4
111.08085	0.9
115.05453	1.1
117.07021	2.8
119.04937	19.6
119.08607	4.0
121.06499	2.6
121.10146	1.7
123.08046	0.6
124.21040	0.6
128.06224	0.6
129.07001	0.6
130.07782	0.9
131.04941	0.9
131.08556	3.7
133.06485	0.8
133.10146	2.8
135.04427	1.2
135.08104	0.9
135.11722	0.6
136.05179	1.9
137.05975	100.0
138.06326	2.0
143.08562	1.3
144.05698	0.7
144.09401	0.8
145.06442	2.4
145.10120	9.2
147.11696	2.0
149.05984	1.5
149.09657	0.8
154.07817	0.7
155.08611	0.6
158.07225	1.2
159.08049	1.4
159.11690	3.0
161.05946	1.0
161.09625	0.6
161.13289	0.8
163.03844	2.5
163.07584	0.7
163.11165	1.5
169.10196	1.4
172.05162	1.0
173.06036	1.4
173.09622	11.1
173.13283	2.4
175.07492	0.8
177.09184	0.8
179.07039	0.6
187.07603	1.0
187.11169	3.7
187.14769	2.9
189.16359	0.9
191.03384	1.4
191.10565	0.7
191.14294	0.7
197.09731	0.8
197.13300	0.6
205.08607	1.3
215.10600	2.5
215.14326	1.3
215.17984	1.2
233.08118	2.9
233.11732	6.2
233.15285	3.7
233.19136	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1172
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
53.03941	1.6
55.01871	4.9
55.05500	1.4
57.03417	1.6
57.07072	1.7
58.11188	0.8
59.05007	0.7
65.03931	2.6
66.12072	0.6
67.05510	6.3
69.03419	3.3
69.07069	30.0
71.04994	2.1
71.59059	1.0
77.03900	0.7
79.05498	15.5
81.03403	0.9
81.07050	5.1
83.04975	1.2
85.06589	0.9
91.05479	56.7
93.07071	5.1
95.04971	4.7
95.08592	2.3
97.06533	42.3
98.97575	1.2
99.04443	3.2
103.05453	1.0
105.07029	10.3
105.13235	0.7
107.04957	3.8
107.08583	3.0
109.06520	4.2
109.10164	1.4
115.05462	2.8
116.06229	0.7
116.98634	1.1
117.07015	5.8
119.04942	25.8
119.08603	3.8
121.06516	5.5
121.10146	2.9
122.44839	0.7
123.04445	1.1
123.08068	1.8
128.06210	1.0
129.07014	1.8
130.07777	1.7
131.08559	5.3
133.06483	1.1
133.10120	3.2
133.33974	0.7
135.04388	1.3
135.08031	4.6
135.11674	1.1
136.05202	1.4
137.05977	100.0
138.06314	2.2
139.07549	1.4
141.06955	1.3
142.07777	0.9
143.08601	2.5
144.09396	1.4
145.06479	4.2
145.10133	16.1
147.04420	2.3
147.08057	1.3
147.11676	2.2
149.05971	2.5
149.09627	3.3
154.07805	1.6
155.08522	1.2
157.10191	1.5
158.07297	2.2
159.08081	2.4
159.11707	6.9
161.09610	1.3
163.03862	2.4
163.07549	1.3
163.11185	4.8
169.10132	2.6
171.11693	0.9
172.05185	1.1
172.08823	2.0
173.06004	1.5
173.09618	22.1
173.11018	1.5
173.13261	2.4
177.09105	1.3
177.12810	0.9
187.11183	10.0
187.14713	1.2
189.09113	1.8
189.12759	1.9
191.03401	1.4
191.10710	2.6
191.14352	1.2
197.09677	1.1
205.12247	2.4
205.15851	3.7
215.10651	6.6
215.14311	1.3
222.08357	2.3
233.06036	1.3
233.08057	2.1
233.11714	14.3
233.15297	9.3
233.18953	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	233.1171
Annotation	Drupanin
Peak:m/z	Relative Intensity
50.00842	1.0
53.94127	0.8
55.01868	1.1
55.05508	1.2
67.05486	1.6
69.03413	4.3
69.07058	2.8
70.71944	3.3
79.05473	4.3
81.07040	1.4
86.93144	0.9
87.00813	0.9
91.05482	9.9
93.07047	2.3
95.04945	2.6
97.06522	13.4
105.07021	8.6
107.04948	1.3
107.08572	1.6
109.06499	3.0
115.05442	1.6
117.07021	3.5
119.04946	0.9
119.08570	10.5
121.06489	2.5
121.10194	1.3
123.08072	2.1
128.06223	1.7
129.06995	4.2
130.07797	1.7
131.08557	5.4
135.08047	100.0
136.08356	3.0
137.05959	7.1
139.07530	1.4
141.06963	4.1
143.08536	3.1
144.09387	4.6
145.06441	3.0
145.10146	8.1
147.11670	1.7
149.05946	1.2
151.07550	2.5
154.07721	2.1
155.08531	2.9
156.09337	8.5
157.06473	3.1
158.07268	4.6
159.08067	5.6
159.11691	18.4
161.09547	1.3
163.07555	1.4
163.11113	1.7
169.10129	5.4
170.10869	1.6
171.11632	2.6
172.08833	21.1
173.09624	27.5
174.10138	1.7
182.07304	1.2
187.11162	38.2
188.11455	1.1
189.09076	1.6
189.12701	2.8
191.10712	1.4
197.09653	1.9
200.08237	1.2
205.12238	1.6
215.10661	16.3
233.08076	1.0
233.11708	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	233.1172
Annotation	Drupanin
Peak:m/z	Relative Intensity
53.03934	2.4
55.01872	7.0
55.05519	6.7
57.03430	2.0
65.03926	3.2
67.05510	14.9
68.99802	1.5
69.03437	10.4
69.07068	14.7
71.04994	10.6
71.58888	2.3
79.05493	20.3
80.58258	1.3
81.03419	1.9
81.07064	19.6
83.04966	3.3
83.81804	1.4
85.06537	6.7
91.05485	49.1
92.05809	2.0
93.07038	22.9
95.04964	15.4
95.08595	12.3
97.06534	20.5
99.04455	22.3
103.05479	5.3
103.93748	1.4
105.07030	60.0
107.04945	11.1
107.08608	13.6
109.06532	7.9
109.10166	6.1
111.08116	3.1
113.06004	1.4
115.05447	6.8
116.06268	2.4
117.07024	26.3
119.04945	19.2
119.08587	20.8
121.06512	15.3
121.10179	8.4
122.06830	2.7
123.08039	2.8
123.11762	1.8
125.09630	2.1
128.06215	6.1
129.07010	11.1
130.07784	15.7
131.04904	3.9
131.08571	31.8
133.06483	7.3
133.10147	12.6
135.04453	2.9
135.08064	6.3
135.11725	3.6
137.05978	47.0
137.09514	1.6
141.07001	7.8
142.07764	2.5
143.08568	16.0
144.05713	2.7
144.09357	8.8
145.06483	12.8
145.10124	92.6
146.07248	1.7
147.08083	3.8
147.11684	9.0
149.05995	4.2
149.09630	3.3
153.07018	2.0
154.07747	9.9
155.08560	5.5
156.09364	2.6
157.06519	1.7
157.10158	5.1
158.07265	9.6
159.08087	12.8
159.10442	3.0
159.11705	49.5
161.05972	1.7
161.09668	3.0
161.13252	4.1
163.03963	1.6
163.07523	2.3
163.11195	20.3
167.08563	2.3
169.10118	18.7
171.08049	3.5
171.11726	3.6
172.08786	8.7
173.09624	100.0
173.13040	6.8
174.09901	3.1
175.07561	5.3
175.11086	1.6
175.14865	2.1
177.09190	3.1
177.12755	5.5
179.08617	3.5
182.07210	1.6
187.11185	76.2
187.14761	3.6
189.09036	1.9
189.16383	3.7
191.03380	4.3
191.10677	8.0
197.09634	9.3
205.12241	10.6
205.15910	2.2
215.07317	1.7
215.10681	44.2
215.17851	8.8
233.08014	4.8
233.11702	39.7
233.15239	6.9
233.19046	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	233.102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.2
55.01867	2.7
55.05506	3.9
56.05042	5.7
56.96562	28.4
57.03435	22.8
57.07063	1.3
60.04523	2.0
61.02934	1.6
64.26639	1.1
67.05510	2.1
69.03419	4.5
69.07063	11.9
70.06583	4.3
71.04991	9.6
71.57620	1.1
72.08135	4.1
73.02917	4.4
73.06549	3.2
74.06077	14.3
74.97624	1.3
75.04485	10.7
77.78481	1.2
79.05484	2.1
80.05032	1.1
81.03416	27.2
81.07056	2.3
82.06576	1.7
84.04501	39.5
84.08134	4.0
84.96056	1.5
85.02900	100.0
85.06541	7.2
86.03201	1.6
86.06065	6.4
86.09701	26.6
87.08113	1.4
87.87672	1.0
88.07617	5.5
89.06013	1.0
91.05456	1.5
93.07065	1.4
95.04971	5.2
95.08628	1.2
96.04579	1.1
97.02892	4.9
97.06541	1.9
98.03658	6.6
98.06042	6.7
98.09696	1.0
98.21188	1.3
98.97588	10.7
99.04458	25.0
100.07579	1.3
100.99147	2.5
101.02386	3.0
102.05512	3.1
103.05483	1.9
104.10737	46.6
107.04959	2.6
109.02863	11.4
113.06001	55.2
114.05516	2.4
116.00241	1.1
116.07113	3.1
116.98610	16.8
117.05475	1.8
119.00183	1.8
119.01897	8.6
119.04971	1.2
122.06002	1.4
123.04433	2.0
127.03909	52.5
128.98599	1.9
130.04988	17.7
131.01877	1.4
132.10194	1.8
132.95903	1.4
133.03458	2.6
134.99644	16.2
137.02902	2.7
137.06030	2.0
141.05463	40.1
142.04997	4.6
145.01732	2.8
145.03456	8.5
145.06482	1.5
146.99648	3.1
150.96887	2.9
152.07097	1.5
153.00690	4.5
156.06519	1.2
158.01294	1.4
158.99707	1.8
159.06523	77.3
161.01221	3.7
161.02933	1.7
161.04816	1.8
162.05452	1.1
163.02766	6.7
163.04469	4.2
164.05205	1.8
165.00771	2.5
167.21989	1.1
169.08662	1.6
169.13350	1.3
170.11763	7.3
173.02892	1.9
173.09514	1.5
175.04514	3.7
175.06021	6.9
177.00725	2.1
179.02295	3.2
181.03871	1.7
183.01755	2.2
183.06543	6.3
185.01128	1.3
187.14299	1.5
189.00705	2.3
190.98698	2.3
191.02309	2.4
191.04004	6.1
198.07709	1.5
198.11258	5.1
201.07507	1.8
207.01747	7.0
215.10481	1.8
215.13895	7.3
216.12317	18.5
233.04747	2.6
233.10185	15.5
233.12267	1.5
233.12697	1.4
233.14966	12.9
234.09828	1.5
235.38922	1.1
237.02759	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	0.7
66.26827	0.6
70.37476	2.1
81.18750	0.5
82.99860	2.3
86.05016	0.6
101.00872	23.7
103.02470	1.5
105.48949	0.7
107.62168	0.6
113.00824	1.0
115.02416	5.9
119.01917	100.0
120.02026	1.9
121.03500	0.8
127.02395	5.6
131.01903	3.7
133.03467	33.2
134.03601	1.2
137.02953	21.7
142.03493	1.4
143.01884	3.6
145.03461	88.7
146.03619	2.3
149.02966	0.9
151.03374	1.1
151.04489	6.0
155.01915	0.8
157.03470	9.2
161.02959	13.0
163.04517	35.6
164.04683	1.4
168.05113	2.0
173.02956	11.7
175.04521	28.3
176.04688	0.9
179.03996	1.2
185.02864	0.8
186.06094	1.2
187.04558	1.6
191.04004	51.5
192.04195	2.9
198.06123	0.7
203.04013	1.1
205.05576	1.0
214.05664	1.8
215.03873	0.6
230.34508	0.6
233.05054	14.4
234.05107	0.7
245.02042	0.6
251.06155	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	3.4
56.96559	13.3
61.02913	1.3
69.51447	8.6
70.06582	1.9
72.08146	3.5
74.02427	1.2
74.06089	2.0
76.05145	2.9
82.99860	2.3
83.99963	1.2
84.08146	2.2
86.09709	11.1
91.67812	1.0
96.05593	1.9
98.20692	2.2
98.97588	2.9
100.99149	2.3
101.00864	17.6
102.00937	1.4
102.05492	1.5
103.00630	5.1
103.02450	2.4
105.02202	7.5
105.02779	1.3
105.49159	1.3
114.06651	3.4
115.02438	3.6
116.98603	2.9
119.01920	83.6
120.02019	5.6
121.01668	24.4
121.02442	2.4
121.03457	1.4
123.03246	5.0
127.02415	3.9
128.98593	2.9
131.01910	4.4
132.07719	6.6
133.01750	1.6
133.03464	30.1
134.99669	1.5
135.03259	2.5
137.02956	22.5
137.04700	2.5
138.03133	1.4
139.02670	12.0
142.03508	3.6
143.01891	8.7
145.03461	100.0
146.03627	3.4
146.99669	2.9
147.03212	12.9
149.01149	8.4
149.02931	1.9
151.04547	7.0
157.03462	14.3
161.02951	31.7
162.99164	2.7
163.02750	5.1
163.04521	45.4
164.04622	1.5
165.04247	9.7
167.02237	4.5
168.05058	2.7
172.97519	1.5
173.01253	3.7
173.02971	19.5
175.02975	2.9
175.04515	46.0
177.02437	1.2
181.03734	3.2
184.04553	1.2
185.03137	1.4
187.04512	4.3
189.02477	2.1
190.98657	2.1
191.02229	30.7
191.04033	65.4
192.04195	1.5
198.06122	2.1
203.04079	1.6
203.77318	1.1
205.05563	2.3
207.05168	1.4
208.99689	4.5
209.03242	8.3
214.03799	1.9
214.05643	2.6
215.11406	3.2
221.05148	1.9
233.03168	4.2
233.05098	23.1
233.12607	5.6
234.05185	1.4
237.02780	2.3
251.04050	2.3
251.06436	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	3.3
56.96560	5.3
57.07345	0.8
58.99855	1.6
69.04522	0.9
70.06575	1.1
70.82748	1.7
70.83096	1.9
72.08149	6.6
74.06081	13.1
77.00903	1.2
82.99857	2.5
84.04485	1.1
84.08141	1.3
86.09715	5.0
100.99117	0.9
101.00869	15.7
103.02439	1.7
114.06675	2.1
115.02451	3.9
119.01920	82.8
120.02023	2.9
121.01679	1.9
121.03493	1.6
127.02372	5.6
127.13851	1.0
128.98599	1.2
131.01894	4.0
132.07690	2.3
132.10182	2.7
133.03465	26.5
135.03183	1.3
137.02945	26.0
142.03517	2.8
143.01898	7.8
145.03458	100.0
146.03586	2.3
146.99623	1.2
147.05013	1.6
149.02968	1.8
151.04529	6.3
155.01962	1.1
157.03450	12.9
161.02945	27.6
163.04520	47.2
164.04675	1.0
167.02069	1.0
168.05055	3.7
171.04915	1.3
173.02965	15.0
175.04529	39.7
176.04681	1.8
177.02426	0.8
179.04002	1.4
186.06131	1.8
187.04504	3.6
187.14458	2.0
189.02490	1.1
190.98669	1.4
191.04004	64.8
192.04207	2.8
198.06123	1.8
203.04034	1.9
205.05478	2.2
208.99728	2.6
214.05626	2.9
215.04196	1.1
233.01360	0.9
233.05017	17.5
233.12544	2.0
233.14951	1.6
251.06255	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05016	1.5
56.96561	12.0
58.54891	1.0
69.07047	2.2
70.06583	1.3
70.43190	4.1
72.08146	3.1
73.02900	1.3
74.06071	1.1
76.05135	1.4
82.99844	1.8
84.04514	1.3
84.08143	3.2
84.96006	1.3
85.02945	1.3
86.09710	14.9
96.05625	1.9
98.20830	1.4
98.97569	3.0
100.07581	1.6
101.00877	18.5
102.00993	1.3
102.05556	2.3
103.00642	2.3
103.02441	1.7
105.02202	4.0
112.23177	1.4
114.06684	6.5
115.02416	2.9
116.61419	1.2
116.98629	2.2
119.01920	76.8
120.02033	3.9
121.01672	12.4
123.03265	2.4
127.02430	5.2
130.05011	1.2
131.01912	4.8
132.07680	9.2
133.01837	1.4
133.03471	31.8
134.99678	1.6
137.02950	23.2
139.02687	6.8
142.03470	1.6
143.01881	7.2
144.10152	2.1
145.03462	100.0
146.03552	3.9
146.99631	1.3
147.03230	5.2
149.01118	2.5
151.04497	6.4
155.01868	1.2
157.03488	14.1
161.02946	31.1
162.99190	2.3
163.02763	2.5
163.04524	49.8
164.04663	2.0
165.00716	2.5
165.04332	3.9
167.02142	2.7
168.05093	3.3
173.01437	2.4
173.02937	19.0
175.04526	43.3
181.03952	1.6
181.72287	1.3
183.01811	1.2
185.02997	1.4
186.06064	1.5
187.04512	3.9
187.70349	1.7
190.98611	1.5
191.02238	17.2
191.04037	67.7
192.04268	1.9
203.04018	2.3
205.05533	2.2
208.99687	3.2
209.03316	5.0
214.05690	3.4
215.11365	4.3
233.05072	23.7
233.12489	7.9
251.06284	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	233.0142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62230	0.2
56.96566	1.4
57.96532	0.2
58.99857	0.8
60.00660	0.2
60.66948	0.2
68.01147	0.2
70.20000	0.8
70.99860	0.2
77.00897	0.7
82.99793	2.0
85.01399	0.4
85.02905	0.3
86.61480	0.2
86.99318	0.3
89.00885	0.3
95.01929	0.3
97.01371	0.2
98.97578	0.6
101.00867	16.4
103.00626	0.2
103.02427	0.9
105.00378	0.5
113.00820	0.3
115.02416	4.3
116.98630	0.6
119.01913	79.9
120.01999	1.1
121.01641	0.5
121.02422	0.3
121.03468	0.8
124.02439	0.3
127.02388	5.5
127.03297	0.3
129.03905	0.2
131.01010	0.3
131.01909	2.6
133.03464	24.9
134.03568	0.3
134.99702	0.6
135.04906	0.2
137.02948	23.8
138.02995	0.4
139.00854	0.2
139.02602	0.2
142.03482	2.0
143.01895	4.7
145.03455	100.0
146.00768	0.4
146.03549	1.3
146.99661	0.2
147.01378	0.5
147.03941	0.3
147.05017	0.4
149.01135	0.3
149.02963	1.0
151.04509	4.5
155.01859	0.6
156.05072	0.3
157.03455	14.1
158.99774	0.3
159.01398	0.4
159.05037	0.3
160.01414	0.3
160.04564	0.7
161.02951	25.0
162.03053	0.4
163.04514	49.4
164.04646	0.8
165.04974	0.2
168.00313	0.5
168.05057	2.7
171.05052	0.3
173.02948	18.9
174.03079	0.3
175.04517	44.3
176.04657	0.7
177.01019	0.3
177.02406	1.2
177.06070	0.2
179.02560	0.2
179.03935	1.3
180.00301	0.3
182.00053	0.3
184.04584	0.9
185.02933	0.7
186.01262	0.2
186.06113	1.0
187.04507	3.0
189.02399	0.2
189.06108	0.3
191.03996	78.8
191.99481	0.2
192.04109	1.1
193.05568	0.5
198.06099	1.7
203.04001	1.8
203.99522	0.3
204.01309	0.2
205.02179	0.2
205.05539	1.7
208.99695	0.2
209.05002	1.0
213.00131	0.2
214.03699	0.3
214.05617	3.7
215.00333	0.3
215.03873	0.8
219.01691	0.2
221.05051	0.6
233.05061	23.3
234.05165	0.4
234.99927	0.2
251.06134	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	232.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88717	0.3
57.07065	0.4
58.41726	0.3
59.04944	0.2
59.19908	0.3
69.03434	0.5
70.05067	0.6
70.05459	0.7
70.06588	0.4
91.05468	0.7
93.07030	0.6
105.07024	0.8
106.08672	0.5
107.08569	0.3
112.75533	0.3
115.05422	0.4
116.98611	0.3
117.07018	0.5
118.06534	2.3
119.08601	0.3
121.06457	0.4
130.06537	0.4
131.07286	2.7
131.08578	0.7
132.08064	1.1
133.10107	0.6
133.95230	0.3
143.08528	0.4
145.08871	1.3
145.10016	0.4
146.09659	2.5
147.10378	0.5
158.09636	0.4
160.09879	0.6
160.11217	13.4
161.11729	0.4
161.13243	0.5
174.09148	15.0
174.12625	1.5
175.09808	0.4
176.14351	1.3
188.10713	3.8
189.11472	1.2
189.15129	10.3
190.15706	0.3
202.12260	4.9
216.14017	0.3
221.14130	2.3
232.16962	100.0
233.08130	0.7
233.15210	0.4
233.17267	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1695
Annotation	alpha-Pyrrolidinopentiophenone
Peak:m/z	Relative Intensity
54.85299	0.1
55.05490	0.4
56.05016	0.5
57.07061	0.4
67.05495	0.2
67.18307	0.2
68.78497	0.1
69.32523	1.7
70.25649	0.1
71.08629	0.2
74.06075	1.4
81.07048	0.2
88.07631	2.9
91.05467	0.6
93.07054	0.2
95.08604	0.2
95.85701	0.1
102.05512	0.2
105.07024	0.7
107.08549	0.2
117.05766	0.2
117.07045	0.3
118.06528	1.6
119.08569	0.7
120.06551	0.3
120.08076	0.1
123.25745	0.2
128.06175	0.3
130.06526	0.5
131.07304	2.1
131.08540	0.7
132.08084	1.4
133.10130	0.6
143.08533	0.3
144.08102	0.5
145.08888	1.8
145.10046	0.3
146.09653	3.3
147.10414	0.4
158.09669	0.5
159.10400	0.3
159.11601	0.2
160.11218	11.8
161.11858	0.2
161.13280	0.6
173.09686	0.2
174.09142	12.8
174.12718	1.2
175.09605	0.2
176.14320	1.1
186.09216	0.2
186.18538	2.4
188.10701	5.8
188.14334	0.6
189.11508	1.4
189.15111	8.2
190.12256	0.3
190.15506	0.2
202.12259	5.3
203.12930	0.2
214.18092	0.4
216.13881	0.4
221.14116	2.3
232.16966	100.0
232.18889	4.2
233.17308	2.3
250.69662	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	232.1695
Annotation	Metazocine
Peak:m/z	Relative Intensity
53.03946	1.1
55.05510	5.3
65.03957	0.8
67.05506	5.6
69.07054	2.6
69.17430	0.7
79.05499	10.1
80.05000	1.4
81.07059	24.6
82.06202	0.6
82.06593	6.9
83.08601	0.7
91.05462	2.2
93.07044	3.2
94.06570	4.0
95.08598	1.8
96.08120	1.1
97.05645	0.7
97.72604	0.6
98.20731	1.5
101.87547	0.6
105.07005	2.5
106.06541	1.9
106.07259	0.6
107.07339	1.5
107.08574	1.7
108.08118	3.0
112.27962	0.7
117.05741	1.0
117.07059	1.1
118.06522	2.2
119.07329	1.9
119.08584	1.5
120.08122	7.5
121.06496	0.7
122.06048	0.9
122.09624	3.7
124.11241	5.8
130.26147	0.8
130.67209	0.6
131.07289	1.9
131.08545	0.7
132.08093	30.4
133.08893	4.6
133.10199	0.7
134.09682	3.1
136.11189	1.9
145.08884	1.8
145.10027	1.5
146.09653	15.7
147.10471	3.2
148.11235	2.2
152.10620	1.0
160.07587	2.1
160.11227	12.3
161.11992	6.1
162.12796	24.9
174.09134	2.4
174.12778	13.3
175.13530	2.6
176.14294	0.7
188.14453	0.7
189.15141	0.9
192.11983	0.7
202.15964	1.0
203.12871	0.7
204.17488	50.5
205.17882	1.3
229.43170	0.9
232.16971	100.0
233.17281	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63943	3.1
54.42355	2.9
55.01857	5.1
56.96557	10.1
58.46579	3.0
59.91043	2.7
69.03404	4.4
69.07074	5.0
70.02946	10.2
70.12438	11.3
71.08242	3.4
71.08631	65.4
71.23125	2.8
72.04516	3.9
74.02426	3.4
75.53316	3.6
80.01392	3.2
81.03419	3.9
84.04505	11.5
85.02892	3.4
88.03989	80.9
88.11280	4.1
91.05503	7.2
94.06543	3.1
97.06540	4.5
98.02417	44.3
98.97542	5.4
100.03998	5.0
103.05473	3.3
116.03452	78.6
116.98570	4.1
121.06522	10.8
130.04999	52.2
134.99681	3.7
139.31357	3.1
144.02927	41.7
145.03238	3.1
146.04480	15.0
146.97552	2.9
150.96848	3.8
158.04500	46.8
158.11807	4.8
168.10213	12.5
172.92258	3.5
176.05518	3.6
186.11256	43.4
214.10750	100.0
215.10883	3.8
232.09793	5.9
232.11636	23.3
232.17043	8.8
233.19032	4.0
237.02821	3.2
248.29378	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	232.103
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53581	2.5
56.05024	11.2
56.96559	11.7
61.01149	32.9
68.05030	2.7
69.07060	10.6
69.86597	15.7
70.06579	3.7
84.08134	18.6
84.29075	2.4
85.09547	2.6
86.09708	56.8
87.02672	5.2
94.98723	2.4
97.06551	5.1
98.97588	11.0
100.97205	2.6
101.00846	15.5
102.96938	3.4
104.05315	10.9
116.98625	11.2
118.03525	5.9
118.98258	5.0
118.99021	4.9
119.01921	100.0
120.01974	4.3
130.03535	6.6
131.01904	4.9
134.99654	8.6
136.99225	4.5
137.02959	48.9
144.05008	15.3
145.03445	8.3
146.99576	3.3
149.02974	3.8
156.05046	6.1
157.03481	13.6
172.04572	6.9
174.02496	6.0
174.06140	5.5
175.04521	7.6
184.04527	6.7
186.09747	19.3
187.02724	5.0
191.04028	4.6
191.37656	3.2
202.05611	19.7
204.05467	6.3
204.10829	10.5
205.03755	16.2
214.09206	19.3
215.02293	9.6
215.07632	4.1
232.04915	30.9
232.10301	67.9
233.03223	20.9
233.10762	3.6
237.02876	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	231.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.8
55.05518	9.9
56.96552	6.7
57.03412	2.9
57.07067	3.2
58.48463	2.1
60.36135	1.9
67.05486	7.0
68.99438	3.2
68.99791	49.7
69.03089	2.0
69.03429	27.1
69.07063	8.6
69.96729	1.9
70.05550	3.6
70.05904	10.3
71.04986	4.7
71.08609	3.1
72.04498	2.6
72.08144	3.1
74.02431	3.6
79.05484	8.4
81.03415	16.1
81.07065	16.0
83.08608	7.7
83.69861	2.0
85.02917	10.7
85.06535	6.4
86.09709	2.7
87.00809	4.1
88.03991	6.4
91.05471	10.6
93.07049	13.2
95.08608	27.8
97.02877	7.5
97.10170	2.5
98.97585	2.5
99.04434	5.3
99.08073	4.3
105.03410	3.2
105.07018	3.5
107.04940	6.7
107.08588	19.1
109.02863	6.8
109.10184	11.6
111.00819	2.7
115.05439	7.9
116.03438	2.8
117.06972	3.3
118.05019	4.6
119.04959	18.2
119.08569	2.6
121.02874	2.4
121.06517	13.6
121.10139	26.3
123.11712	2.4
127.03905	6.7
128.06186	6.4
129.06987	6.5
131.04933	2.5
131.08574	2.8
133.06451	3.4
133.10146	3.9
134.04471	5.1
135.08034	3.7
135.11662	8.2
135.69243	2.1
139.05405	4.9
143.08621	2.0
145.06461	9.8
147.04405	100.0
147.07979	2.3
148.04726	5.5
149.13243	2.5
153.01782	5.7
155.06059	2.6
157.06483	42.5
158.06834	2.2
160.05153	2.4
161.05965	7.3
171.04390	18.9
171.11731	2.9
175.07475	2.5
177.16389	31.7
185.05815	18.1
189.05453	4.5
195.04385	2.9
195.17445	9.4
203.07013	25.9
204.07297	2.6
213.05466	8.1
213.12665	4.1
231.06503	98.8
231.13744	3.9
232.06915	7.5
239.05894	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	231.1703
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
53.03941	0.8
55.01869	0.5
55.05511	10.8
56.05041	0.6
56.96579	0.3
57.05812	0.9
69.03432	2.2
71.04985	0.5
71.15539	0.6
71.15914	0.3
72.08154	100.0
73.08485	0.7
81.03427	1.3
82.28020	0.3
84.08136	0.3
85.02903	0.7
86.09698	5.1
87.00846	0.4
91.05460	0.7
97.02898	0.9
99.04479	0.4
105.07067	0.3
107.70576	0.3
109.02859	0.3
115.05459	8.7
119.04987	0.5
127.03918	0.5
131.04944	0.7
132.05724	1.1
132.10219	3.5
133.06474	0.3
143.04924	3.6
144.05731	0.5
147.08041	0.4
154.43649	0.3
160.05222	2.4
161.06035	0.5
171.04411	3.3
172.04959	0.4
175.07568	2.3
177.97858	0.3
185.16632	0.3
188.04672	1.8
199.03851	1.8
203.07031	7.8
216.04248	0.5
231.06528	4.1
231.17004	1.3
237.22812	0.3
254.80513	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.138
Annotation	Kauniolide
Peak:m/z	Relative Intensity
50.72414	2.5
55.05502	8.0
57.07080	3.1
58.06604	6.0
67.05516	8.5
69.03393	2.5
69.07053	6.8
71.15877	3.6
71.16205	5.6
72.08144	2.4
76.59280	2.4
79.05482	10.4
81.07045	26.0
91.05479	24.2
93.07056	20.3
95.08603	9.6
100.48094	2.5
103.05481	2.5
105.07027	39.3
107.08593	10.7
115.05505	5.5
117.07011	12.4
119.08592	22.7
121.06543	4.6
121.10149	5.5
126.85027	2.4
128.06233	15.4
129.06987	31.9
130.07762	4.0
131.08580	30.9
133.06546	3.8
133.10133	10.5
141.07037	5.2
142.07774	19.0
143.08568	56.9
144.09322	2.9
145.06505	4.7
145.10133	32.2
147.08076	9.0
155.08525	8.5
156.09369	7.6
157.06509	5.9
157.10152	40.7
159.11652	24.9
161.09637	3.7
165.06993	5.0
170.10953	13.4
171.08063	8.0
171.11717	7.7
175.07524	13.2
180.09337	5.5
185.09686	5.2
185.13271	100.0
186.13646	4.3
187.14893	4.8
189.09109	7.4
195.11755	11.7
203.10739	4.3
203.14288	6.4
213.12766	22.6
231.10246	5.7
231.13806	62.9
231.17422	4.9
231.21094	5.9
231.25119	14.8
232.14120	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1378
Annotation	Volvatellin
Peak:m/z	Relative Intensity
53.03943	8.9
55.05503	4.9
55.82367	3.2
56.96562	4.5
59.91953	2.9
60.11876	2.8
63.06424	2.8
67.05493	6.0
69.03428	100.0
71.05003	3.4
71.58604	4.1
78.28903	3.2
79.05500	8.9
80.58972	3.3
81.03419	23.6
81.07040	11.2
83.04988	3.2
83.08564	3.4
85.02899	14.0
87.00842	5.4
87.04466	4.7
91.05469	18.3
93.07043	12.5
95.04958	2.9
95.08644	3.6
97.02885	10.7
99.04444	10.4
105.07016	26.1
107.04951	6.3
107.08591	6.4
109.02887	8.2
109.06512	3.6
111.04438	5.6
115.05480	5.9
117.07011	5.5
119.08568	15.6
121.06496	5.4
121.10123	6.7
121.68154	2.8
127.03926	9.7
128.06224	12.3
129.07013	12.7
130.07790	3.2
131.08565	9.4
133.06467	4.5
133.10129	96.3
133.11093	6.1
134.10487	4.7
141.06970	5.0
142.07767	8.9
143.01146	2.8
143.08585	17.0
145.10103	16.6
147.08032	5.2
147.11801	2.8
155.08568	13.7
156.09349	14.5
157.10117	26.7
159.08078	4.1
159.11691	3.4
165.06985	18.6
170.10905	21.4
171.08057	10.0
171.11693	24.7
172.08847	6.2
175.07558	3.3
179.08650	3.7
180.09343	20.1
183.08058	11.3
185.09602	5.3
185.13226	24.7
195.11708	37.2
198.10458	15.4
213.12740	89.7
231.08286	3.6
231.13770	39.7
231.17461	9.0
240.74692	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.138
Annotation	Volvatellin
Peak:m/z	Relative Intensity
52.67558	1.6
53.03939	3.1
55.05499	2.7
56.96560	4.2
63.61016	1.8
67.05497	3.3
68.72897	1.9
69.03428	52.5
69.07064	3.2
69.50216	17.9
74.84598	1.8
79.05495	12.7
81.07056	9.0
85.02901	2.3
87.04469	6.5
91.05486	11.6
93.07043	10.0
95.04981	3.1
95.08609	3.7
98.97570	5.9
103.05464	2.8
105.07037	22.9
107.04985	5.4
109.06529	4.0
111.04406	2.7
115.05476	3.7
116.98615	5.8
117.07036	3.7
119.08545	16.0
121.06538	5.8
121.10139	4.9
128.06262	12.2
129.07028	10.6
131.08542	9.4
133.06526	3.3
133.10132	66.2
134.99672	3.7
141.06990	5.0
142.07791	9.0
143.08559	23.9
145.06525	2.3
145.10123	21.4
147.08046	5.8
155.08580	8.3
156.09340	12.7
157.06525	4.9
157.10126	28.0
159.08073	2.9
159.11790	2.3
161.09697	2.9
165.06992	17.1
169.10135	2.6
170.10924	19.6
171.08052	9.1
171.11697	21.9
172.08917	4.9
173.09590	4.4
175.07509	2.5
180.09341	19.9
183.08029	11.7
185.09659	4.3
185.13248	28.1
192.89767	1.8
195.11681	42.1
198.10381	18.6
203.14172	2.7
213.12746	100.0
231.10287	3.3
231.13821	40.9
231.17303	2.3
232.22772	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	231.138
Annotation	Volvatellin
Peak:m/z	Relative Intensity
53.03927	3.9
53.85083	0.9
54.25381	0.9
54.52674	1.0
55.01873	1.9
55.05501	3.4
56.96563	5.8
57.03410	1.2
57.07059	3.2
67.05499	3.8
69.03429	80.6
69.07066	2.2
70.06580	1.0
70.19148	2.3
70.19562	3.6
71.04990	1.4
71.08620	1.8
75.37644	1.2
79.05487	9.6
81.03418	9.6
81.06651	0.9
81.07053	5.4
83.04977	2.4
85.02911	8.0
87.00822	2.9
87.04466	10.1
88.07634	1.2
91.05488	12.5
93.07040	9.3
95.04976	2.9
95.08581	2.1
97.02898	8.8
98.20800	1.6
98.97565	6.0
99.04451	3.4
105.07024	20.6
107.04966	5.1
107.08588	4.5
109.02863	3.1
109.06507	1.6
111.04419	4.3
111.08106	1.2
115.05449	3.3
116.98631	8.5
117.07009	4.0
119.08573	15.8
121.06494	3.6
121.10141	4.4
125.05943	1.3
127.03910	4.0
128.06227	10.5
129.07007	12.1
130.07788	1.7
131.04956	1.0
131.08588	8.4
133.06435	3.0
133.10132	67.8
134.99649	4.6
135.08127	1.3
139.07585	1.0
141.06961	6.2
142.07790	11.3
143.08572	24.4
145.06490	2.1
145.10133	15.6
146.99644	1.1
147.08040	2.6
149.01276	1.2
149.09647	1.6
153.07005	4.3
155.08548	14.7
156.09349	15.7
157.06467	3.7
157.10126	20.8
158.07281	1.5
159.08089	3.7
159.11748	1.5
161.01259	3.6
161.09648	1.3
163.07651	1.0
165.05614	1.3
165.07011	21.3
167.08585	4.0
169.06490	1.3
169.10139	3.5
170.10898	20.9
171.08064	11.4
171.11679	24.4
172.08809	5.6
172.12271	1.1
173.09621	2.7
175.07587	2.3
177.00729	3.4
179.08585	4.5
180.09340	26.1
183.08055	12.8
183.11574	1.8
184.08681	1.8
185.09612	3.9
185.13261	25.7
186.13625	1.4
187.14711	1.3
189.00768	1.6
189.12723	2.0
195.11697	47.9
196.02094	2.7
197.09666	2.4
198.10410	24.2
213.12733	100.0
214.13101	2.9
219.01738	1.5
228.99782	1.1
231.06540	1.2
231.13786	30.7
231.17332	2.1
232.22745	1.8
249.02689	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1378
Annotation	Volvatellin
Peak:m/z	Relative Intensity
53.03936	3.5
55.05499	3.6
66.07674	1.2
67.05520	3.1
69.03427	62.7
69.07062	4.0
69.56263	3.9
69.56693	8.1
71.04979	1.8
78.73563	1.4
78.99395	1.6
79.05492	9.8
81.03391	5.5
81.07047	7.7
85.02890	4.3
87.00804	3.1
87.04453	6.3
91.05483	13.1
91.23531	1.2
93.07031	8.7
95.04960	4.0
95.08584	4.3
97.02879	2.8
97.06555	1.7
99.04459	2.2
103.05457	2.5
105.07028	19.5
107.04969	5.0
107.08575	4.7
107.15700	1.4
109.02886	1.8
109.06526	2.0
111.04417	3.0
115.05428	5.1
117.06997	6.3
118.08694	1.6
119.08569	15.8
121.06512	3.3
121.10119	4.5
121.97704	1.4
127.03893	4.5
127.11155	1.6
128.06221	8.0
129.06987	9.3
130.07788	3.0
131.08545	8.6
133.06493	3.8
133.10124	100.0
134.10442	1.6
137.05948	1.5
140.73068	1.3
141.06993	4.7
142.07776	12.1
143.08568	20.0
144.09261	1.6
145.06477	2.8
145.10123	16.1
147.08020	4.9
149.09535	1.4
153.06985	3.0
155.08545	15.8
156.09346	14.4
157.06476	3.2
157.10129	23.3
158.07262	1.9
159.08061	1.9
159.11658	2.3
161.09695	2.2
165.06993	19.9
167.08571	3.4
169.10109	3.6
170.10899	27.6
171.08093	9.5
171.11693	28.1
172.08850	5.1
173.09583	3.0
175.07536	3.1
179.08557	3.9
180.09326	22.1
183.08040	11.7
185.09628	4.4
185.13257	28.3
189.12700	3.6
195.11679	39.0
197.09599	2.6
198.10362	15.9
213.12730	86.4
214.13130	4.7
231.06525	3.1
231.10243	2.1
231.13768	27.6
232.19109	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	231.1379
Annotation	Volvatellin
Peak:m/z	Relative Intensity
53.03942	3.3
55.64381	2.4
57.03416	2.7
57.07052	3.2
67.05499	4.1
68.99805	4.6
69.03424	73.5
69.07037	5.0
70.06570	2.1
70.13270	12.5
71.04988	4.2
79.05491	16.5
81.03414	12.4
81.07047	14.6
83.04965	5.3
85.02914	12.4
87.00837	2.6
87.04486	6.1
91.05446	15.5
93.07030	13.4
95.04968	6.7
95.08604	5.4
97.02885	9.1
99.04503	3.2
103.05451	2.5
105.07020	26.2
107.04948	9.0
107.08585	6.5
109.02848	3.2
109.06513	5.8
115.05442	5.8
117.07004	11.8
119.08569	23.6
121.06511	7.8
121.10130	6.9
125.05981	2.7
127.03909	6.7
128.06206	11.7
129.07002	12.5
131.08553	12.7
133.06493	2.9
133.10118	76.1
133.11092	4.8
135.08089	2.7
137.05986	4.7
141.06972	5.8
142.07779	11.8
143.08560	22.5
145.06450	5.3
145.10104	15.6
147.08072	7.9
149.28302	2.7
153.01830	4.5
155.08559	11.4
156.09323	13.3
157.06459	4.6
157.10100	22.6
159.08044	3.5
159.11728	2.6
160.26421	2.6
161.09666	6.1
161.13173	2.8
165.06992	18.5
166.80217	2.4
167.08609	2.7
168.43832	2.4
170.10910	25.7
171.02943	3.4
171.08018	11.2
171.11697	24.2
172.08809	3.8
173.09599	5.3
173.13304	2.8
173.22263	2.4
175.07483	4.7
175.11182	3.0
180.09315	18.3
183.08075	7.9
183.11601	3.8
185.09633	3.8
185.13261	32.0
189.09096	3.3
195.11691	45.3
198.10446	17.2
203.14275	2.7
206.87560	2.7
213.05699	2.6
213.12724	100.0
215.53210	2.4
231.06491	6.9
231.10170	5.1
231.13760	38.7
231.17422	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	231.1378
Annotation	Secocrispiolide
Peak:m/z	Relative Intensity
56.96540	10.8
57.07088	10.1
62.24366	7.8
67.05494	23.7
69.03421	10.2
71.58947	14.9
79.05477	13.3
81.07063	54.9
91.05476	63.2
93.07037	33.0
95.04959	10.7
95.08598	23.7
105.07031	55.8
107.08582	12.2
109.02881	8.4
117.07014	29.7
119.08649	41.1
119.09390	8.9
121.06543	18.6
121.10132	10.5
128.06239	18.8
129.06981	39.2
131.08560	51.2
133.10126	24.3
142.07764	24.2
143.08539	73.6
143.38370	8.9
145.02829	10.6
145.10094	37.5
147.11626	8.5
156.25766	9.3
157.10120	35.4
159.11647	24.0
160.01543	16.6
161.09586	10.4
170.10878	13.6
171.08080	15.9
171.11668	12.3
173.09639	16.9
175.03926	67.0
175.07544	23.9
185.13223	85.5
188.01030	20.8
189.09065	13.0
195.11719	17.3
203.03395	43.2
203.14348	24.8
213.12700	38.7
231.02846	81.0
231.10095	14.0
231.13794	100.0
231.17430	16.1
231.20901	23.2
231.25067	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	231.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	12.2
55.01878	8.4
55.05505	17.7
56.96569	23.1
57.03425	11.9
57.07075	59.0
61.02905	5.5
65.22476	3.8
65.63503	4.4
68.98882	3.5
69.03428	70.3
69.07054	12.1
70.06561	5.0
70.83321	11.7
71.01316	5.2
71.05000	6.8
72.08158	47.7
73.02915	7.4
79.05495	4.3
81.03414	100.0
81.07044	11.6
83.04990	22.7
85.02911	37.7
85.06535	9.6
86.06048	4.2
86.09703	34.8
87.00841	5.3
91.05476	9.2
93.07021	5.6
95.08623	6.9
97.02909	9.2
97.06506	9.3
98.97581	15.1
99.04446	11.8
99.08088	10.1
105.07050	8.8
107.08578	6.9
109.02879	10.8
111.04427	17.9
111.08076	10.7
115.05453	7.3
116.98617	16.2
117.07010	4.1
120.08933	5.0
121.06502	8.5
125.05963	4.0
127.03909	15.6
129.05463	12.0
129.07008	5.8
131.08530	7.0
134.99637	15.4
143.04874	5.0
147.08148	6.0
157.06459	4.4
161.01180	7.2
161.05994	4.4
163.11240	4.0
172.03119	3.7
175.07518	6.0
177.00716	8.2
185.05830	4.2
203.07040	5.7
222.98091	4.0
228.47050	3.8
231.02921	5.9
231.12312	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	231.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.4
51.09927	0.3
53.03945	2.1
55.01877	0.4
57.03436	0.3
67.01868	2.4
68.99784	1.8
69.03429	5.3
71.05003	0.4
71.07955	0.6
77.03938	0.3
79.01871	0.4
79.05515	0.3
81.03421	1.9
81.07066	0.4
83.01350	0.7
85.02892	1.2
87.00809	0.3
91.05469	0.4
95.04960	4.2
97.02880	1.7
99.04480	0.9
105.03392	29.0
105.04551	0.8
106.03716	0.4
106.81406	0.3
109.02879	0.5
111.00786	0.3
118.06605	0.3
119.08663	0.4
125.02431	0.3
127.03923	0.6
129.07076	0.3
135.11839	0.3
143.08580	0.3
145.10130	0.3
147.11613	0.2
153.01828	100.0
154.02139	1.7
161.06009	0.3
171.02887	1.7
185.07130	0.5
189.05499	1.0
194.52852	0.2
213.09004	0.3
231.06511	15.9
231.17575	0.5
232.06793	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05423	2.2
53.03184	2.2
53.03931	6.5
54.64379	2.2
55.01870	6.6
55.05498	3.3
56.05032	6.3
56.96568	35.3
57.03423	6.3
57.10403	2.8
58.06592	2.2
59.68849	2.3
60.11547	2.3
61.02916	7.8
65.03934	3.1
68.05007	7.7
69.03435	17.3
69.07056	3.5
70.06572	8.8
70.86284	2.7
70.86621	4.8
71.04988	16.5
71.95268	2.6
72.04503	7.4
72.08167	3.2
73.02919	14.8
74.02444	2.7
79.05510	3.3
80.05019	15.4
81.03416	16.9
82.02943	3.9
82.06571	6.5
83.05000	3.6
83.06095	5.7
84.04504	17.0
84.08133	7.2
84.53550	2.4
84.96036	3.8
85.02894	15.6
86.06041	2.5
86.09715	4.3
86.84312	2.3
87.05592	100.0
88.03974	3.7
93.03401	3.9
95.04948	3.5
96.04472	11.0
97.02895	61.2
97.04005	7.2
98.06046	14.5
98.97575	17.4
99.04485	12.1
99.05582	20.0
106.06593	3.0
107.04945	2.9
108.04488	9.8
109.02840	7.7
110.06038	3.8
111.05550	24.1
112.06336	4.1
113.07162	3.4
116.98614	19.0
117.05502	6.5
119.01915	12.2
120.04464	9.0
121.07635	5.8
122.06046	6.8
123.05561	3.4
124.07568	5.6
125.07119	14.9
126.05518	12.6
127.03909	21.8
127.04961	5.9
128.98601	4.1
130.04993	2.5
130.11008	2.9
131.00180	6.2
134.99667	14.6
137.02863	2.6
137.05974	2.8
137.07042	3.0
139.05034	12.4
139.08681	6.7
140.07072	3.5
143.00064	3.0
144.06624	5.7
145.04926	8.7
146.99718	3.3
147.05525	4.2
149.01234	6.9
149.07101	13.9
150.05489	2.8
152.07043	3.1
153.00665	3.5
153.06610	18.5
155.04651	2.5
158.99660	3.0
161.01222	14.4
165.06627	14.8
167.08162	17.4
167.11763	3.5
168.06593	2.7
170.08147	3.4
177.00706	4.6
177.06656	14.2
179.02258	3.6
185.09193	10.9
189.02412	9.2
193.00175	3.2
195.07600	25.3
203.10231	4.8
207.01794	5.2
213.08736	33.0
213.12289	4.2
214.10674	4.1
225.02892	3.8
226.98616	4.6
231.07794	2.2
231.09755	54.6
231.13432	9.9
231.17363	2.8
248.99219	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	231.0649
Annotation	2,4,6-Trihydroxybenzophenone
Peak:m/z	Relative Intensity
51.02390	0.3
53.03950	2.0
53.19635	0.2
55.01870	0.4
67.01862	2.2
68.99778	1.5
69.03432	4.2
71.33588	0.4
76.81365	0.2
77.03934	0.4
81.03420	1.5
83.01343	0.4
85.02914	0.8
87.00813	0.4
90.11652	0.2
91.05499	0.5
95.04960	3.3
97.02895	1.4
99.04444	0.4
99.60692	0.2
103.58717	0.2
105.03387	28.1
105.04536	0.8
105.07037	0.3
107.10168	0.2
109.02892	0.5
111.00768	0.3
127.03886	0.7
130.06566	0.2
135.07968	0.2
142.07745	0.3
143.08582	0.3
153.01820	100.0
154.02165	1.6
161.05989	0.5
162.84558	0.2
171.02896	1.4
175.09450	0.2
176.14374	0.3
185.07141	1.6
185.09596	0.3
189.05498	0.9
213.09081	0.3
231.06508	17.3
231.10187	0.6
231.13759	0.4
231.17635	0.6
232.06779	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	17.8
55.01867	2.7
57.03418	4.7
59.94046	1.2
61.02921	2.6
63.62760	1.2
67.05476	1.6
68.99779	2.7
69.03429	100.0
69.07063	1.4
69.56737	7.0
71.04993	14.0
79.05478	1.8
81.03415	50.3
81.07056	2.0
83.05016	1.5
85.02903	46.5
87.00829	22.5
91.05479	2.6
93.07047	1.7
95.04921	1.5
95.08594	1.9
97.02892	29.4
98.98390	1.4
99.03838	1.9
99.04453	26.4
105.01860	4.4
105.03388	3.1
105.07020	3.2
107.08569	2.0
109.02879	21.5
111.04478	1.0
115.03944	1.1
115.05456	1.3
117.06948	1.6
119.08568	1.5
127.03915	26.3
128.06203	1.8
129.06966	2.5
131.08566	1.8
133.10139	3.0
141.06897	1.5
142.07774	2.5
143.08540	3.6
145.05016	2.2
147.11612	1.4
153.01819	9.4
157.06332	1.1
157.10126	4.4
160.05103	1.2
161.09569	1.2
169.61952	1.1
171.08047	1.2
171.11607	2.1
175.07542	1.2
185.13188	1.8
189.05415	1.6
195.44743	1.0
213.03938	4.2
213.09154	2.0
213.12852	2.7
217.35948	1.1
231.04686	2.4
231.06544	4.2
231.10222	3.3
231.13768	4.1
231.17468	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.4
51.09927	0.3
53.03945	2.1
55.01877	0.4
57.03436	0.3
67.01868	2.4
68.99784	1.8
69.03429	5.3
71.05003	0.4
71.07955	0.6
77.03938	0.3
79.01871	0.4
79.05515	0.3
81.03421	1.9
81.07066	0.4
83.01350	0.7
85.02892	1.2
87.00809	0.3
91.05469	0.4
95.04960	4.2
97.02880	1.7
99.04480	0.9
105.03392	29.0
105.04551	0.8
106.03716	0.4
106.81406	0.3
109.02879	0.5
111.00786	0.3
118.06605	0.3
119.08663	0.4
125.02431	0.3
127.03923	0.6
129.07076	0.3
135.11839	0.3
143.08580	0.3
145.10130	0.3
147.11613	0.2
153.01828	100.0
154.02139	1.7
161.06009	0.3
171.02887	1.7
185.07130	0.5
189.05499	1.0
194.52852	0.2
213.09004	0.3
231.06511	15.9
231.17575	0.5
232.06793	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	13.4
55.01865	2.3
55.05501	4.0
56.96555	3.7
57.03446	5.7
57.03657	1.0
61.02933	2.3
63.33623	0.9
66.00761	0.9
67.05476	1.0
68.99769	3.9
69.03428	100.0
69.07065	2.0
71.04995	10.2
71.57806	1.7
72.08158	14.8
73.95639	1.0
79.05490	1.6
81.03417	48.3
83.01350	1.5
84.08138	1.1
85.02905	48.2
86.09700	5.1
87.00832	20.5
91.05480	2.8
93.07027	1.7
95.08669	1.3
97.02290	2.1
97.02891	35.0
98.97596	4.0
99.03844	1.9
99.04450	23.5
105.01856	4.6
105.07004	2.5
107.04891	1.5
109.02148	1.0
109.02883	18.8
112.26640	0.9
115.05460	1.1
116.98601	3.9
119.08584	1.4
120.08130	1.1
121.06507	1.3
121.10170	1.2
127.03914	27.5
129.06982	1.3
132.10188	1.4
134.99649	3.5
145.04936	2.8
146.99644	1.4
147.08078	1.2
153.01810	4.2
158.09795	1.1
161.01224	1.3
171.02884	1.6
177.00710	3.4
213.03912	2.3
213.09102	1.3
222.08244	1.1
231.02885	1.3
231.04762	1.7
231.06706	1.5
231.10266	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.8
53.03944	6.2
54.44407	0.3
55.01872	1.1
55.22194	0.3
56.96565	0.3
57.03442	1.0
57.12875	0.3
58.15411	0.3
59.36681	0.3
61.02929	0.7
61.04567	0.3
67.01862	2.4
67.05527	0.3
67.88065	0.3
68.99786	2.4
69.03427	31.1
69.07051	0.3
70.05679	1.7
70.27373	0.3
71.04979	2.8
72.08123	0.6
79.05483	0.5
81.03413	14.1
81.20996	0.3
83.01347	0.7
83.04957	0.4
85.02898	10.8
87.00822	5.1
91.05463	0.5
93.07037	0.3
95.04962	4.3
97.02887	7.1
98.21474	0.5
99.04457	6.2
105.03385	28.1
105.07007	0.7
109.02876	5.9
118.06557	0.4
119.08548	0.6
125.02377	0.4
126.61246	0.3
127.03914	6.1
128.06239	0.4
129.07004	0.5
130.06493	0.6
131.72449	0.4
133.10138	1.8
145.04997	1.0
145.06483	0.5
145.10077	0.4
153.01819	100.0
157.10092	0.4
159.09183	0.5
159.11713	0.4
165.06921	0.5
170.10861	0.5
171.02867	1.6
171.11674	0.5
175.07486	0.4
180.09258	0.6
185.07146	3.3
185.13184	1.2
195.11806	0.4
213.03867	0.7
213.12679	1.5
231.06505	17.5
231.13788	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.2
55.01867	3.2
55.05512	2.0
56.96572	2.8
57.03433	5.5
67.05499	3.6
68.99792	4.3
69.03427	100.0
69.28037	14.1
71.01346	1.2
71.04987	5.6
72.08160	1.4
76.05144	1.1
79.05492	5.1
79.72578	1.1
81.03416	74.7
81.07070	2.5
83.01331	5.3
83.04986	1.4
85.02901	55.5
87.00827	20.5
87.04468	1.8
91.05483	4.9
93.07047	3.7
95.04949	3.0
95.08588	2.5
97.02893	25.7
99.04447	19.9
103.05497	1.4
105.01865	3.7
105.07056	5.1
107.04982	1.8
107.08607	2.0
109.02859	9.5
111.00817	2.6
115.05432	2.9
116.98621	2.2
117.07026	2.0
119.04952	1.6
119.08607	6.2
121.10145	2.0
122.68237	1.1
127.03916	34.3
128.06236	2.3
129.01758	1.3
129.07022	2.5
131.08464	1.5
133.06509	1.7
133.10129	17.0
134.04651	1.2
135.18385	1.3
141.06990	1.6
142.07774	1.4
143.08574	5.0
145.04977	4.3
145.10078	2.6
147.04463	2.2
147.08043	3.9
149.95461	1.4
155.08536	2.1
156.09358	3.2
157.10100	3.8
161.06065	1.6
161.13220	1.5
165.06976	2.2
170.10909	3.7
171.02899	2.0
171.11719	3.6
175.07484	2.3
180.09428	2.8
183.08037	1.6
185.09659	1.4
185.13268	6.5
190.06227	1.9
195.11679	4.0
213.03870	1.7
213.12680	11.7
231.02896	2.4
231.04846	10.3
231.10185	2.7
231.13831	6.4
231.17459	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37208	0.5
50.37606	0.6
55.01863	1.1
56.66587	0.6
56.96577	0.7
58.99868	1.5
60.12979	0.6
62.11509	0.6
65.35339	0.6
68.98298	1.1
69.38990	0.6
69.39293	5.7
73.01408	0.6
77.00903	0.8
82.99882	2.0
84.08164	0.9
85.01408	3.0
86.99332	2.3
87.65215	0.6
89.00935	1.0
91.02457	1.6
98.21533	1.1
98.97585	0.8
100.76620	0.6
100.94932	0.7
101.00880	13.2
103.02445	24.1
105.00350	2.9
109.03527	1.3
113.00861	1.3
116.07124	0.8
117.03197	0.9
117.03981	7.2
119.01920	87.3
120.01995	1.9
121.01646	1.5
121.03477	17.1
125.98087	0.5
127.02409	2.2
128.00258	0.6
129.00346	2.4
131.01923	5.0
133.03452	4.8
135.03384	0.6
135.05040	10.1
137.02956	33.9
138.02931	0.7
142.03514	2.3
143.01936	1.4
144.05067	1.0
145.03464	44.0
146.03552	1.7
147.01389	26.9
149.02927	1.6
151.04543	2.2
152.15657	0.6
157.03450	1.6
161.02956	16.9
161.04971	0.7
163.04523	34.7
164.04590	1.0
165.01154	0.9
165.02463	11.6
168.05086	2.1
170.03036	0.8
171.01373	13.0
173.02972	3.5
175.04427	0.7
179.03952	5.9
183.03516	2.1
185.03006	0.7
187.04523	3.0
188.04016	0.6
189.02441	100.0
190.02524	2.8
191.04004	1.8
199.00807	1.3
203.03976	0.9
205.05481	1.0
207.03500	24.7
208.04495	0.8
212.04089	3.8
225.35661	0.7
229.27406	0.7
230.05020	0.7
231.03499	22.0
236.20979	0.6
249.04572	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	230.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.8
53.03942	0.7
55.05500	1.0
56.96564	0.9
67.05505	1.1
69.03433	1.7
69.07069	100.0
70.02960	2.6
70.07402	1.1
70.70993	1.8
72.08156	0.6
74.02440	29.2
81.03392	0.6
85.02926	1.6
88.03992	47.6
92.85800	0.5
97.06538	6.6
99.00838	0.6
114.09177	2.4
115.07568	1.1
116.03454	20.0
116.04274	1.0
124.07541	1.0
130.06528	0.6
134.04489	89.9
140.10699	1.5
158.09692	0.8
160.06433	0.6
166.08643	9.3
184.09702	6.4
212.09189	5.1
230.10225	32.9
231.10486	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41829	0.4
54.33047	0.5
56.96563	58.7
58.06598	1.4
60.08160	1.8
68.05035	0.4
69.07047	0.4
69.62408	3.0
70.06592	8.7
71.06918	4.5
71.95269	3.0
72.96046	2.1
74.97611	1.4
83.97628	1.4
84.08131	0.9
84.96028	1.4
86.09702	7.0
97.08429	0.6
97.99165	0.6
98.20814	0.8
98.97580	92.8
99.97937	0.5
114.05532	0.6
115.05852	0.8
116.00224	2.0
116.98617	100.0
118.99097	0.5
119.01880	1.0
124.00705	0.9
125.07950	0.5
126.02279	2.2
126.09120	0.5
128.98616	0.8
134.01262	2.9
134.99654	72.4
140.00160	2.1
140.03801	2.4
142.01781	0.9
142.05385	1.3
142.08629	3.5
143.08994	5.7
144.03305	2.1
146.99649	1.4
152.02332	0.8
153.00705	12.8
158.01268	3.3
158.04904	5.8
160.06451	9.0
161.04816	0.5
162.04291	0.5
169.72549	0.6
170.04872	1.8
171.03291	1.1
174.02609	0.5
176.02361	1.0
176.05891	2.2
178.07495	5.3
188.05948	6.3
189.00737	0.6
189.04344	16.4
189.06058	1.0
202.07463	1.9
203.05971	0.6
206.06984	9.9
207.01642	0.5
207.05403	15.2
212.05911	1.2
220.08565	0.9
224.08041	19.6
225.06401	0.4
225.08553	0.5
230.06958	13.2
230.10555	0.8
230.15797	25.6
231.05353	2.4
242.08994	0.6
247.09410	0.6
248.08052	32.6
248.87732	0.5
249.06339	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66124	1.4
53.03952	8.2
53.04159	1.7
55.01850	2.2
55.05272	2.6
55.05513	35.7
56.96544	1.3
57.03428	6.0
57.07055	5.1
59.04994	7.7
67.05503	36.6
69.03427	39.0
69.07070	12.2
69.51362	6.7
69.51776	4.4
70.06596	1.6
71.05012	7.2
73.48610	1.3
75.78607	1.2
79.05489	8.7
81.07050	25.8
83.04981	31.5
83.08157	1.9
83.08619	23.3
85.02867	1.3
85.06541	14.7
87.04431	2.5
91.05478	17.6
93.03398	2.3
93.07038	20.0
95.04976	8.3
95.08604	16.2
97.06535	1.9
97.10165	4.4
98.21563	1.7
99.04473	1.3
99.08062	6.8
101.06012	6.0
105.07018	16.5
107.04961	1.5
107.08591	18.9
109.02879	18.8
109.06495	3.2
109.10153	62.7
111.08073	3.8
115.05437	2.7
117.07015	5.7
119.08586	19.0
121.06493	12.1
121.10130	10.9
123.11720	19.9
125.09621	8.2
127.11188	16.5
128.06242	4.2
129.07008	7.5
130.07791	2.4
131.08575	21.9
132.08041	1.4
133.10126	17.4
134.99677	2.0
135.08109	1.8
135.11681	17.3
139.11131	1.6
141.06960	3.9
142.07735	5.0
143.08563	21.5
144.09315	6.3
145.06488	4.3
145.10126	21.1
147.11691	5.0
149.13214	7.7
151.11157	6.2
151.14774	2.1
153.06972	4.6
153.12733	3.6
155.08543	11.1
156.09390	2.2
157.06496	2.0
157.10103	6.0
158.07288	3.2
158.10902	23.6
159.08063	12.7
159.11679	17.0
161.09523	2.0
167.14308	16.6
168.05682	1.4
168.09337	6.1
169.10030	3.9
169.12234	16.1
170.10945	8.7
171.08028	11.5
171.11679	1.9
172.08824	13.4
173.09628	52.3
173.11884	3.0
173.13239	57.8
174.13626	1.7
175.07585	1.9
175.14795	3.7
181.06477	4.0
181.10106	1.6
183.11710	12.0
185.09547	2.9
185.13258	2.7
185.15361	3.0
186.10402	35.6
187.07588	3.9
187.11185	97.3
188.11569	1.8
193.10143	2.9
193.15916	10.7
196.08830	7.3
199.07510	2.4
201.12733	66.6
202.13013	1.9
211.11174	14.7
211.15041	1.7
211.16920	25.3
214.09883	6.7
229.04973	3.2
229.08578	4.8
229.12238	100.0
229.15898	3.9
229.19679	11.0
229.23492	2.2
230.12602	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1547
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
51.35708	0.7
51.69459	0.5
54.65221	0.6
55.01880	0.9
56.96565	3.8
58.06598	5.6
58.71020	0.6
59.07373	1.4
60.08160	7.2
68.05006	0.9
70.06591	43.0
70.18985	1.2
70.19376	1.3
71.01121	0.5
72.08138	0.8
75.61329	0.6
86.09709	1.1
95.05647	0.5
96.08116	1.7
98.06046	0.6
98.97586	3.9
114.05533	3.5
114.09164	1.7
116.07091	1.8
116.98627	5.3
124.07605	3.7
134.02928	0.5
134.99670	3.2
142.08626	33.0
152.07112	0.7
160.06448	0.6
170.08054	1.6
188.05981	0.6
189.04408	0.6
207.05510	1.3
224.08067	1.5
225.83804	0.5
229.15469	100.0
230.07002	0.8
230.15781	2.5
236.85831	0.5
247.11568	0.7
248.08203	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1798
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
55.05507	65.2
57.03429	7.7
57.07071	7.3
59.04995	16.4
65.03949	4.7
67.05499	42.3
69.03435	20.9
69.07059	28.9
70.72038	10.3
71.04980	10.1
79.05487	8.4
81.07046	30.1
83.04976	61.4
83.08626	42.5
85.06529	29.6
91.05499	7.2
93.07037	20.0
94.38802	2.9
95.04964	11.0
95.08622	24.4
97.10189	8.0
98.97621	3.5
99.08103	17.1
101.06045	8.8
105.07032	13.2
107.08588	37.3
109.10152	100.0
111.08092	5.2
113.06001	5.5
116.65562	3.3
116.98608	5.2
119.08591	17.8
121.06564	3.8
121.10156	15.5
122.17808	3.2
123.11704	39.3
125.09621	15.0
127.11179	30.3
131.08559	7.3
133.10126	14.2
135.11668	27.6
139.11121	4.1
143.08548	3.9
145.10123	8.6
147.11679	6.1
149.13257	11.5
151.11188	10.3
153.12741	10.3
154.53899	4.3
155.08464	3.1
157.10051	3.7
159.11734	5.4
159.66879	3.3
167.14301	35.9
169.12248	39.8
171.11659	4.3
173.13243	5.1
175.14799	11.6
185.15340	6.4
191.55988	3.5
193.15810	20.1
202.76637	3.7
207.19138	3.5
211.15054	6.7
211.16928	58.4
229.15919	7.5
229.19635	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	229.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.8
55.05504	1.2
56.96564	9.2
57.03438	3.3
58.06603	8.9
58.99848	2.1
59.07370	1.4
60.07889	0.6
60.08161	9.7
61.02920	4.6
68.05011	2.2
69.03421	3.4
69.07056	0.9
70.06591	56.2
70.98096	0.6
70.99824	1.1
71.00166	1.3
71.04980	2.1
72.08152	3.8
73.02900	2.1
74.97588	0.8
77.00918	3.0
81.03408	3.2
81.04517	1.0
81.07067	0.8
82.06116	1.0
82.06580	17.6
82.99852	0.9
83.04978	0.7
83.06109	1.2
83.06917	4.5
84.04493	0.9
84.08121	2.3
84.96037	1.6
85.02909	4.6
86.03696	1.4
86.07127	0.8
86.09701	0.7
87.04473	0.8
89.00893	1.0
91.02361	1.0
93.01950	0.5
95.06091	6.3
96.08160	3.0
97.02905	3.3
98.06039	1.1
98.97584	4.9
99.04395	0.9
100.05286	0.6
100.07615	28.5
100.99159	1.5
101.00877	15.8
101.01557	0.5
101.07323	1.1
101.07940	7.1
102.00998	1.0
103.02407	0.6
105.00325	0.6
109.02888	1.1
109.07632	1.1
110.01269	1.3
110.06024	0.6
110.97546	0.7
112.07597	1.7
114.05531	4.1
114.06660	4.2
114.09161	3.2
115.02421	1.6
116.07079	4.3
116.98617	5.1
117.02056	0.7
119.01920	96.1
120.01965	6.2
121.01668	2.2
123.09241	0.6
124.02592	0.6
124.07592	5.8
125.03634	0.7
125.07144	0.9
126.02563	1.7
126.09131	0.9
126.98781	1.4
127.03952	1.2
128.02353	1.1
128.98630	1.3
131.01900	2.2
133.01683	1.0
133.03455	7.9
134.99658	2.3
135.03128	2.7
137.02953	32.4
137.07080	6.5
137.10681	0.7
137.53329	0.6
138.03069	2.5
140.07068	5.3
141.01311	0.8
141.03122	1.5
142.03528	2.9
142.08630	38.7
143.00171	1.4
143.01923	1.7
144.99820	8.0
145.03484	1.3
145.99928	1.1
146.99667	1.4
147.01408	1.1
147.05017	1.0
148.03830	1.5
149.01299	0.8
149.02930	0.7
150.03595	0.7
150.99165	1.1
151.04581	2.6
151.08713	1.0
152.07063	2.0
155.08205	2.3
159.01384	0.7
159.02994	0.6
160.04636	1.1
161.01274	2.3
161.02980	5.0
163.00911	2.2
163.02902	1.3
163.04453	3.5
165.00737	1.1
166.09795	1.7
168.99825	6.8
170.08124	3.0
171.05031	0.7
172.99371	1.9
173.01434	0.8
173.03044	0.8
175.04535	0.9
176.03415	0.8
177.00838	1.1
177.02437	1.4
178.03137	0.7
181.03813	0.7
183.07797	1.3
183.11295	5.5
183.12555	0.6
184.10838	0.9
187.00894	19.9
187.04617	0.7
187.06239	1.1
188.01082	2.2
189.00896	1.0
189.04266	0.9
190.02902	0.6
191.00436	1.9
191.02370	0.8
191.04041	1.1
193.00366	0.8
193.09787	0.6
195.03546	0.7
196.99355	1.9
197.01120	1.3
199.04564	1.0
201.08083	0.7
205.00208	1.0
205.01929	5.4
207.01845	0.7
210.02513	1.4
211.06404	2.5
211.10774	7.5
212.05965	0.9
215.00375	14.8
215.02185	1.1
215.03738	0.7
219.01801	0.8
221.02924	0.7
229.07420	7.5
229.11935	27.6
229.15459	100.0
230.07013	2.2
230.12094	0.9
230.15918	2.0
232.04515	0.7
233.01495	0.7
233.03651	0.6
237.02959	1.0
238.02016	0.9
241.50282	0.6
247.08409	10.3
248.08122	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	229.122
Annotation	Mansonone C
Peak:m/z	Relative Intensity
53.03922	5.4
55.05504	4.9
56.96555	5.6
66.34754	2.6
67.05482	10.5
69.03423	25.8
79.05471	3.8
81.07036	8.2
83.04957	5.6
83.08606	3.2
89.01425	2.7
89.37322	2.7
91.05462	11.7
91.53434	2.6
93.07023	12.9
95.04957	7.2
95.08552	3.7
105.07030	8.9
107.08548	4.1
109.02884	21.2
109.10137	8.0
115.05421	3.7
116.94553	2.8
119.08555	10.9
121.06478	8.0
121.10136	3.5
125.07948	2.7
128.06151	3.7
129.07025	8.8
131.08548	20.0
132.65540	2.9
133.10120	12.1
134.99657	3.1
141.06921	2.8
143.08504	17.5
144.09315	7.4
145.06509	2.9
145.10150	14.2
153.06995	2.8
155.08577	9.7
157.78046	3.0
158.07332	3.6
158.10925	19.2
159.08029	9.8
159.11659	15.7
168.09360	7.3
169.10176	7.2
170.10876	12.0
171.08035	12.0
171.11499	3.4
172.08797	11.9
173.09608	53.0
173.11807	5.3
173.13239	44.0
174.13689	3.0
175.07474	4.1
181.06319	3.2
183.11621	9.6
185.13258	5.1
186.10419	35.4
187.07578	6.0
187.11169	85.8
196.08797	11.7
201.12753	65.9
211.11203	19.2
214.09814	4.6
229.08640	7.0
229.12238	100.0
229.15732	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1434
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
55.05510	9.4
57.03438	15.9
57.07076	1.6
59.05001	5.7
65.03937	1.3
67.05506	100.0
69.03437	1.2
69.07053	1.9
70.06561	1.5
71.04987	3.4
77.93158	0.8
79.05485	2.6
81.07054	12.8
83.08614	6.7
85.06541	3.9
91.05480	5.8
93.07036	3.2
95.08619	5.6
98.21510	2.2
107.08608	1.9
109.10159	78.9
109.16805	1.0
111.08100	3.4
119.08587	5.9
137.09608	3.1
139.44345	0.9
155.10640	3.4
157.16782	0.9
161.68153	1.0
173.11745	17.8
205.76538	1.0
219.82585	0.9
229.14204	13.7
229.19456	1.3
229.27130	2.1
232.76167	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39026	0.6
53.03933	0.9
53.80702	0.6
55.01853	1.9
55.05494	0.8
55.89793	0.6
56.96564	28.4
57.03437	7.9
58.06601	7.0
58.99841	0.6
59.04983	0.9
59.07365	2.1
60.08167	8.0
60.46297	0.5
61.02647	0.9
61.02927	11.0
61.57468	0.6
65.38942	0.6
68.05008	1.9
68.45188	0.5
69.03428	6.5
69.07067	0.7
69.68258	4.4
69.68594	1.2
70.06592	56.7
70.98087	1.7
71.01374	0.8
71.04996	3.2
71.95265	0.7
72.08163	4.8
72.82745	0.6
73.02905	5.3
74.97601	2.7
75.04491	0.7
77.00854	0.9
79.05531	0.6
81.03403	4.4
82.06580	9.7
83.00800	1.4
83.01329	0.5
83.06897	2.1
84.04478	0.8
84.08135	1.6
84.96025	3.9
85.02903	11.7
85.08498	0.5
86.03680	1.6
87.04454	1.7
88.99153	1.1
89.00843	0.6
91.02335	1.0
95.06065	2.4
96.01549	1.1
96.08115	2.0
97.02345	1.0
97.02883	6.0
97.96796	1.6
98.01282	1.6
98.06055	1.1
98.20761	1.2
98.97578	12.1
99.02087	0.9
99.04427	1.5
100.02880	1.1
100.05241	0.9
100.07619	14.1
100.99115	1.0
101.00891	6.2
101.02478	0.8
101.07932	3.6
102.97055	0.6
103.02408	1.2
104.01243	1.3
105.02052	2.1
106.01077	0.7
107.00184	0.6
107.01868	0.6
108.01532	0.9
109.02885	3.0
109.52148	0.6
110.01256	2.5
110.97559	1.9
112.99117	0.7
114.05544	4.7
114.06660	7.0
114.09163	2.1
115.02362	1.1
115.97836	1.1
116.07092	6.5
116.98618	10.3
117.02042	2.2
117.10305	1.0
118.01015	0.8
118.02824	0.9
119.01910	50.6
119.08648	0.7
120.02013	1.9
124.07614	3.9
124.95294	0.6
126.02552	2.8
126.09135	0.9
127.03907	2.3
127.04824	0.6
128.02304	6.6
128.98604	4.0
131.00177	2.2
131.01830	1.6
131.08513	0.7
132.00742	1.3
133.01645	1.4
133.03456	4.7
134.01239	0.6
134.99654	6.9
135.03079	7.3
137.01266	0.8
137.02939	20.3
137.07091	1.5
140.02306	0.5
141.01265	0.9
141.03072	2.7
141.53268	0.9
142.03554	2.2
142.08632	34.3
142.96536	0.7
143.00166	3.2
143.01863	0.9
143.53055	0.7
144.00566	0.8
144.03560	2.1
144.99889	3.6
145.01633	1.0
145.03421	0.7
146.99649	6.0
147.00719	0.7
147.01276	0.9
147.03119	1.3
148.02022	1.0
148.03830	1.9
148.04802	1.2
149.01207	4.5
149.02902	0.8
150.01749	1.5
150.03618	3.3
150.99118	1.9
151.04475	2.1
153.00671	0.9
153.04120	1.4
154.03902	0.9
155.08165	0.7
156.03435	1.1
157.01610	0.9
157.03484	1.6
157.04588	1.3
158.03410	0.7
158.99623	2.3
159.03143	1.0
160.00392	0.8
160.04816	0.7
161.01245	4.6
161.02887	2.9
162.01770	1.6
162.03210	0.6
162.99069	2.0
163.00871	0.9
163.02710	2.5
163.04367	3.3
163.54562	0.8
165.00705	2.0
166.09721	1.3
168.01749	0.7
168.03665	0.8
168.99840	4.4
169.02536	1.7
170.08153	1.9
170.99699	0.9
172.99275	1.2
173.01192	1.6
173.02870	1.0
174.04353	3.0
174.99045	1.1
175.02827	1.2
175.04639	5.1
176.03394	1.2
177.00682	4.0
177.02394	1.5
178.03036	1.3
179.02269	1.3
179.52548	0.6
181.00114	0.7
182.99602	0.6
183.09697	1.1
183.11296	1.6
183.14937	3.6
184.03011	1.6
184.10873	1.0
186.04364	1.9
186.99280	1.2
187.00888	11.4
187.04852	3.1
187.06215	0.9
189.00674	2.0
191.00557	0.8
191.02261	2.6
191.03900	1.0
193.00204	1.6
193.03767	0.7
196.99377	0.7
201.00714	1.5
204.05435	1.6
205.00217	1.3
205.01930	2.8
205.03900	1.3
205.05745	5.7
207.01772	1.9
208.04048	0.9
210.02406	1.2
211.06523	0.8
215.00363	7.5
215.02164	1.4
219.01736	2.2
220.02066	0.7
220.04062	0.8
229.07457	2.3
229.12004	5.0
229.15462	100.0
233.03328	1.2
237.02838	1.5
247.08563	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66861	0.6
56.96560	1.1
57.03439	2.4
61.02935	1.8
67.04259	1.2
67.30742	0.6
69.03004	0.6
69.03423	2.8
69.96294	4.0
71.04987	1.0
72.08153	1.0
73.02918	2.0
81.03403	1.9
82.01437	0.7
82.06579	55.1
84.08134	5.8
85.02904	3.1
95.99794	0.7
97.02886	2.2
100.02510	1.5
100.07616	100.0
101.00890	2.0
109.02879	1.1
119.01921	9.9
119.28749	0.7
120.01971	0.8
127.03876	0.7
131.01933	1.0
137.02971	2.7
143.01872	0.9
144.99835	1.4
145.03398	0.9
157.03447	0.8
161.02956	0.9
168.99838	0.9
182.06668	4.8
184.08223	1.8
186.06128	3.1
187.00877	2.0
191.00430	1.0
196.00932	1.6
198.06239	0.7
200.07654	2.0
210.06049	5.5
214.01851	1.5
228.07143	24.0
229.11771	0.9
229.15424	0.8
246.08237	40.3
247.08322	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43685	1.4
53.03931	1.6
53.08318	1.2
55.05517	13.9
57.03424	2.6
57.07071	1.9
65.03928	2.3
67.05177	2.0
67.05510	29.8
69.07072	10.2
71.04994	100.0
71.59533	1.4
79.05494	15.1
80.40691	1.4
81.07057	37.1
83.04983	1.7
83.08613	6.2
85.06528	3.4
91.05479	9.7
93.07043	18.7
95.04994	2.4
95.08611	18.7
97.06539	3.1
97.10151	7.4
99.08107	2.1
100.11258	6.3
105.07036	5.3
107.08610	8.8
109.06537	1.8
109.10173	4.0
110.98662	1.3
113.05997	1.3
117.07033	6.8
117.78082	1.3
119.08570	2.7
121.10142	1.9
125.09627	3.9
129.06953	2.1
131.08618	6.8
133.10153	5.4
135.08081	1.9
135.11688	8.0
142.07756	1.5
143.08559	4.6
145.10117	3.6
149.13231	4.5
156.09372	1.4
157.10117	4.2
159.11702	6.2
166.07678	1.4
167.07065	1.6
169.63498	1.3
171.11697	3.8
177.12714	1.8
181.04993	1.6
185.13272	2.2
209.15135	1.9
213.14622	1.3
227.10533	3.3
227.12730	4.0
227.14537	2.8
227.17923	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	227.1641
Annotation	Annuionone E
Peak:m/z	Relative Intensity
53.03951	1.8
55.01855	1.2
55.05516	8.4
56.02659	1.2
57.03442	1.2
57.07067	2.0
67.05505	26.3
69.03439	1.2
69.07072	5.8
71.04996	100.0
71.08610	0.9
71.59628	1.2
79.05499	13.9
79.05919	1.5
81.07059	35.3
82.07389	0.8
83.04981	1.4
83.08630	5.7
85.06541	2.6
91.05499	6.4
93.07045	15.0
95.04996	2.6
95.08614	22.7
95.67772	0.9
97.06525	5.1
97.10172	4.1
99.08093	0.9
100.11262	3.0
105.07043	3.6
107.08601	6.8
109.10169	4.6
111.08102	2.4
117.07038	4.2
119.08632	1.2
121.06569	1.1
121.10146	2.1
121.32705	0.8
123.11752	0.9
125.09637	2.9
129.06984	1.2
131.08582	4.2
133.10136	4.6
135.08051	0.9
135.11697	11.6
143.08635	1.3
144.04350	0.8
145.10161	1.3
149.13280	4.0
157.10194	1.7
159.11700	6.9
167.07016	1.1
171.11717	1.6
175.14908	3.0
177.12767	2.8
189.11115	0.9
227.10727	1.8
227.12685	1.8
227.14520	1.5
227.17879	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	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
51.62589	2.9
51.97845	2.6
53.03944	5.7
53.58576	2.8
55.01868	22.2
55.05512	100.0
56.96575	4.0
57.03427	6.5
57.07069	8.7
65.03939	4.1
65.53744	3.1
66.50376	2.5
67.05505	26.0
68.15147	2.7
69.03424	9.0
69.07069	29.8
71.04994	37.6
71.08634	8.0
71.58631	2.8
73.02921	38.7
79.05482	31.4
81.07057	57.7
83.04977	8.0
83.08627	14.2
85.02911	40.7
85.06537	12.9
85.10175	4.7
90.47461	2.8
91.05486	21.4
93.07040	70.2
94.07417	4.0
95.04980	7.9
95.08603	39.8
97.06529	25.3
97.10173	49.0
98.97582	3.3
99.03831	2.6
99.04463	10.5
99.08096	4.7
100.11259	12.1
101.02380	83.9
103.05459	3.9
105.03410	5.4
105.07026	8.9
107.08591	72.7
109.06506	5.7
109.10149	15.8
111.04438	7.8
111.08112	5.0
113.06006	46.2
117.07009	3.9
119.03416	5.0
119.08586	7.2
121.06538	13.6
121.10145	13.2
123.08038	4.3
123.11733	3.6
125.05994	51.2
125.09648	6.6
127.07552	7.5
128.06158	4.2
129.07024	8.8
131.04935	4.2
131.08589	8.0
133.10135	8.7
134.99677	3.2
135.08043	24.5
135.11638	5.8
139.07561	5.0
140.04726	3.4
142.07790	5.4
143.08603	6.1
145.10103	6.5
147.11688	13.5
149.05988	5.2
149.09642	7.8
149.13269	63.1
153.09142	17.3
157.10139	9.0
163.14825	8.7
165.06958	3.0
166.07735	4.2
167.07050	41.4
167.08482	5.5
167.10789	4.0
171.08066	3.3
171.11722	9.3
173.13272	13.1
177.05511	7.6
181.05026	7.1
181.10178	4.7
181.15892	12.0
185.09596	3.7
191.14305	26.4
199.11247	3.3
209.15291	29.2
209.16737	2.5
212.12143	4.2
227.07089	8.0
227.10562	8.9
227.14267	6.9
227.16248	8.0
227.17937	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	227.164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	10.4
57.03432	6.2
57.07059	3.4
58.90689	1.7
59.04986	6.5
60.99865	2.0
65.03941	2.1
67.05505	10.4
69.03432	4.2
69.07059	13.9
69.98363	4.4
69.98772	6.6
71.04988	36.7
79.05491	11.1
81.07052	20.3
83.04981	6.3
83.08620	5.7
85.06564	10.7
91.05479	15.1
93.07037	27.4
93.07555	2.9
95.04966	100.0
95.08624	15.0
97.06537	16.8
97.10164	6.6
98.21365	2.8
99.04446	18.5
99.08098	41.7
103.05482	3.1
105.07028	13.7
107.04964	7.9
107.08595	30.8
109.06506	21.7
109.10152	12.5
111.08084	6.8
111.09886	1.9
112.45383	1.9
113.09700	2.1
115.07554	7.0
117.07003	2.8
119.01930	3.3
119.04910	3.1
119.08599	8.6
121.06504	6.9
121.10141	26.9
123.04541	2.7
123.08060	3.8
123.11697	5.6
125.09608	11.4
126.63252	2.0
127.07535	20.5
131.08568	7.9
133.06474	2.2
133.10133	37.4
135.08072	10.9
135.11703	8.1
136.05214	4.0
137.05983	3.3
137.09612	7.1
139.11189	16.7
143.10686	7.6
145.10109	2.6
147.04381	7.2
147.08054	7.1
147.11681	6.6
148.05206	13.1
149.05972	2.3
149.09592	2.5
149.13268	12.4
151.07549	8.5
151.11183	8.4
153.05513	4.2
153.09102	25.1
155.07060	2.8
161.02957	3.9
162.06741	2.9
163.07545	12.5
163.14821	5.8
165.05472	4.8
166.06274	16.5
167.07074	5.1
168.07799	6.1
171.10188	17.1
171.11533	3.3
173.13254	17.0
177.09091	5.6
178.09892	30.1
179.07018	5.9
179.10663	2.8
181.04993	4.8
181.08580	91.2
182.08890	2.3
191.14279	12.3
194.09389	16.8
209.11739	27.8
209.15359	12.9
227.12822	4.0
227.16383	41.9
227.18416	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	227.1641
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03938	7.0
55.01874	7.5
55.05511	31.6
57.03442	5.1
57.07069	7.3
59.04987	4.7
67.05174	3.2
67.05504	37.0
68.46055	2.4
69.03429	38.3
69.07068	51.1
69.87389	9.3
69.87807	6.5
71.04992	51.3
73.02921	4.6
79.05495	43.5
81.03407	11.7
81.07056	61.3
81.07526	5.4
83.04979	24.8
83.08617	23.2
85.06535	10.7
87.16154	2.6
91.05482	28.9
93.07043	60.6
94.85964	2.9
95.04960	31.9
95.08610	48.0
97.06532	16.2
97.10181	16.8
99.04456	26.3
99.08106	7.8
100.11226	5.5
103.05447	4.1
105.07037	26.3
107.04940	11.2
107.07864	5.7
107.08594	100.0
108.24969	2.8
109.06510	20.7
109.10163	38.5
110.50175	2.4
111.08097	17.3
115.07560	9.8
116.38744	2.7
117.07043	7.4
119.08610	13.5
121.06496	20.0
121.10140	39.1
123.08083	18.7
123.11723	17.2
125.09626	26.6
131.08563	15.4
132.08083	7.0
133.10138	28.9
135.08061	24.8
135.11714	14.3
137.09633	18.1
139.07487	4.8
139.11182	4.4
140.04646	5.8
143.10692	6.5
145.10092	5.1
147.11678	13.8
149.05945	4.3
149.09648	16.0
149.13255	21.6
151.11189	28.1
153.09126	11.3
155.07063	4.6
158.10870	4.3
159.09142	5.1
161.13208	4.5
163.14795	21.6
165.12756	17.3
167.07054	15.2
169.12305	3.1
173.13263	28.2
177.05482	4.2
177.36450	2.7
181.04970	8.6
191.14308	26.2
209.08098	16.1
209.15324	13.2
227.14470	3.7
227.16344	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	MKN-003C
Peak:m/z	Relative Intensity
55.01854	2.3
55.05502	6.3
57.03423	4.5
57.07060	4.6
59.04988	4.9
66.21975	1.3
67.05491	4.7
68.93764	1.5
69.03414	4.8
69.07065	12.3
70.30943	1.6
71.04987	24.5
71.17744	3.1
73.06544	3.0
76.45547	1.6
79.05493	6.5
81.07054	16.6
83.04968	4.3
83.08611	4.8
85.06538	8.5
89.49224	1.5
91.05465	6.8
93.07041	21.9
95.04965	100.0
95.08600	15.5
97.06524	15.9
97.10128	3.6
99.04446	9.5
99.08089	32.7
100.11243	1.6
105.07039	11.0
107.08588	23.2
108.71799	1.5
109.06525	14.7
109.10163	11.2
111.07371	1.5
111.08078	6.5
113.06001	1.6
113.09636	2.8
115.07574	5.7
119.08567	7.4
121.10135	19.4
123.08025	2.2
123.11692	6.9
125.09627	10.6
127.07542	15.7
131.08565	5.3
133.10133	34.7
135.08018	4.1
135.11694	7.1
137.05183	1.7
137.09596	2.7
139.11169	15.9
140.04623	2.4
143.10692	3.7
145.10056	3.5
147.11722	4.1
149.13248	12.3
151.11197	3.6
153.09108	23.4
155.07018	1.6
158.10883	2.5
163.14807	5.5
167.07028	3.3
167.14296	1.7
171.10179	14.9
173.13252	11.9
178.27469	1.6
181.04945	4.5
191.14287	10.4
209.15392	12.0
227.08629	2.3
227.16397	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	227.1641
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03922	5.1
55.01858	10.8
55.05516	35.3
57.03417	7.8
57.07064	12.7
59.04990	16.1
67.05502	32.6
69.03432	18.2
69.07069	52.4
70.39205	12.4
71.04991	56.8
79.05492	32.4
81.07053	79.8
83.04999	18.2
83.05405	3.9
83.08621	23.5
85.02948	3.5
85.06542	26.2
86.67675	3.3
87.04469	51.9
91.05486	30.6
92.36021	3.0
93.07047	74.4
95.04967	72.5
95.08607	65.4
97.06525	38.0
97.10169	9.3
98.97579	3.4
99.04459	72.0
99.08096	13.1
100.11249	17.3
105.07034	40.6
107.04928	6.9
107.08590	81.8
109.06535	20.6
109.10142	35.8
111.08068	19.9
113.06044	20.2
113.09652	4.0
115.07552	11.0
117.07021	11.2
119.08575	28.6
121.06479	9.0
121.10142	48.6
121.10957	6.6
123.08089	19.1
123.11710	100.0
125.06009	4.6
125.09653	18.7
127.07519	7.1
129.19530	3.8
131.07068	5.1
131.08542	29.5
133.10132	58.7
135.08061	12.6
135.11691	47.3
137.09595	7.0
137.13237	7.3
139.03891	4.0
139.07533	6.0
139.11174	13.0
140.04605	3.7
141.11557	4.0
141.12694	4.9
143.07144	3.1
143.08578	8.0
145.10110	10.0
147.11700	21.5
149.09688	4.8
149.13255	38.6
151.11191	13.3
153.09093	20.4
153.12727	10.2
155.03391	3.5
157.10039	4.7
158.10945	5.5
161.13252	9.7
163.11151	3.7
163.14792	14.0
165.12767	5.9
167.07048	14.1
169.12222	4.5
171.10162	13.3
171.11601	3.7
173.13260	44.3
177.05486	4.4
179.14349	5.5
181.04881	8.4
183.13831	7.7
191.14339	29.6
202.91020	3.2
209.08029	7.9
209.15286	32.1
227.10622	4.9
227.14334	4.2
227.16383	74.1
228.16719	4.0
228.22937	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	227.164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.7
53.73521	1.7
55.01868	9.4
55.05513	10.6
57.03440	4.5
57.07077	3.0
57.30481	1.6
59.05003	3.6
65.03947	8.9
67.05491	9.5
69.03433	5.0
69.07072	11.7
69.76309	8.3
69.76714	3.5
71.05001	19.9
73.02921	38.4
73.06570	2.4
73.61490	1.6
75.50540	1.7
78.04723	2.4
79.05491	9.8
81.03433	2.8
81.07050	17.2
82.04182	2.7
83.04976	5.9
83.08624	5.4
85.02901	8.0
85.06532	6.0
86.09697	2.9
87.09222	1.6
91.05468	11.1
93.03374	2.9
93.07043	25.1
95.04971	91.7
95.08629	11.2
96.05285	2.3
97.02909	2.5
97.06542	23.5
97.10130	3.5
99.04449	11.6
99.08094	25.8
100.11260	14.0
103.05449	3.9
105.07032	9.3
107.04975	5.2
107.08598	20.1
109.06527	14.1
109.10181	9.4
110.03667	4.3
111.04474	4.2
111.08084	6.6
113.06010	3.1
115.07566	18.7
119.08583	7.9
121.06507	9.0
121.10168	14.9
123.04441	11.1
123.08102	3.9
123.11687	4.8
125.02328	3.6
125.06014	2.7
125.09628	9.5
127.07563	8.3
131.04959	2.6
131.08575	4.8
133.10133	26.7
135.08046	4.2
135.11684	5.1
137.06027	4.2
138.03098	4.3
139.11188	7.5
140.04692	56.8
143.10689	3.0
147.11694	3.9
149.05965	7.7
149.09628	2.6
149.13281	6.8
151.03986	1.9
151.11189	5.5
153.05571	1.7
153.09094	21.2
155.07040	47.0
155.08257	1.6
163.14862	4.5
165.12784	1.9
167.07054	40.8
168.07433	2.2
171.06580	9.1
171.10106	9.2
173.08089	6.4
173.13290	9.1
175.27274	1.7
177.05486	7.2
179.07056	2.8
181.04971	100.0
181.08546	3.6
182.05296	2.5
191.10606	1.9
191.14291	7.9
209.08043	18.5
209.09615	2.1
209.15320	8.7
227.07175	2.5
227.09152	8.4
227.16399	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	227.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64880	2.2
52.10715	2.5
53.03947	4.8
55.01876	29.5
55.05511	97.9
57.03425	6.1
57.07063	8.9
60.57890	2.2
65.03945	4.1
67.05509	26.5
67.09908	2.1
69.03413	9.3
69.07063	33.6
69.47771	21.8
70.10605	2.3
71.04995	35.1
71.08627	8.7
72.42035	2.2
73.02918	38.5
73.18074	2.3
79.05495	29.1
81.07060	54.0
83.04989	5.5
83.08611	14.0
85.02902	41.1
85.06544	10.3
85.10172	3.1
91.05475	19.7
93.07043	79.9
95.04962	8.1
95.08601	45.7
97.06526	28.7
97.10172	51.9
98.23279	2.7
98.97527	3.7
99.04446	9.3
99.08109	3.0
100.11235	14.2
101.02374	100.0
103.05444	5.0
105.03387	3.8
105.07028	11.0
107.04964	3.4
107.08591	62.2
109.06558	7.0
109.10178	12.9
111.04430	8.4
111.08072	9.7
113.06001	51.3
115.65551	2.5
116.98617	3.8
117.07041	4.3
119.03435	4.6
119.08592	9.0
121.06503	9.2
121.10162	14.6
123.04408	2.8
123.08077	5.2
123.11705	6.2
125.05995	59.3
125.09605	4.2
127.07574	8.9
128.06169	2.6
129.07016	4.2
131.05034	3.5
131.08543	7.4
133.10139	9.2
135.08078	23.5
135.11700	5.3
137.06018	3.8
140.04616	3.5
142.07822	2.8
143.08531	7.2
145.10126	9.1
147.11674	16.6
149.05937	6.0
149.09634	9.8
149.13260	70.7
150.17676	2.4
153.09108	22.4
155.07028	3.2
155.08553	3.1
156.09297	3.0
157.10139	6.4
163.14847	7.6
167.07054	39.1
167.08539	6.4
167.10724	7.1
171.11726	8.2
173.13264	9.4
177.05482	7.9
181.04948	3.9
181.10153	4.4
181.15872	13.3
185.13292	7.0
191.14322	34.3
199.14769	2.5
209.09659	4.1
209.13481	4.2
209.15334	28.6
209.18642	2.4
227.06905	5.5
227.10612	7.8
227.14278	8.9
227.16400	8.7
227.17999	10.8
228.10335	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	227.1641
Annotation	MKN-003C
Peak:m/z	Relative Intensity
51.94786	2.6
53.03942	3.0
55.01834	2.8
55.05507	32.2
57.07082	4.4
67.05515	14.1
69.07076	12.2
70.10059	13.8
71.93538	2.4
79.05482	14.1
81.07051	16.3
83.04983	100.0
83.08637	11.9
91.05472	6.1
93.07031	17.3
95.08584	12.8
95.93233	2.6
97.10181	14.4
97.95453	2.2
99.43072	2.4
99.71732	2.3
100.11262	9.9
107.08604	13.0
109.10161	6.7
111.08054	6.3
117.06989	3.0
121.10109	10.5
125.09628	7.5
131.08598	3.3
135.08092	3.8
149.13268	3.9
150.60558	2.5
151.98901	2.7
154.16367	2.6
155.98006	2.3
163.14815	12.3
171.11665	4.1
173.13237	4.1
185.13309	2.9
191.14305	5.7
209.15321	6.9
227.10306	4.6
227.12737	7.0
227.17842	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	227.1277
Annotation	Chloriolide
Peak:m/z	Relative Intensity
51.05384	4.6
52.67737	4.3
53.03931	5.1
53.10778	3.9
55.05508	37.8
56.96559	20.0
57.07076	6.7
66.45387	4.5
67.05493	18.8
68.52863	4.3
69.03430	4.8
69.07063	18.1
70.70553	4.9
70.70898	12.9
73.02927	9.0
79.05475	21.1
81.03436	4.9
81.07066	32.5
83.04953	6.0
83.08625	9.6
84.96049	5.5
85.02895	5.5
85.06538	6.5
91.05471	21.2
93.07061	23.6
95.04953	10.2
95.08596	21.7
97.02862	7.7
97.06553	7.2
97.10167	6.1
98.97582	16.3
100.11253	19.5
103.05439	4.9
105.07023	12.1
107.04929	14.2
107.08615	22.0
115.05434	8.3
116.98608	8.1
117.07008	5.6
119.08587	9.9
121.06525	14.3
121.10124	11.4
123.04414	14.2
128.06178	7.1
129.06982	8.5
131.04951	5.8
134.99626	11.1
135.08049	5.8
135.11710	20.2
137.05977	15.7
140.04787	6.3
141.07059	6.1
143.04913	8.8
143.08571	8.6
145.10138	12.7
146.99702	6.6
149.05994	12.8
155.08583	5.8
157.06519	6.4
157.10110	13.0
163.11174	18.6
165.05585	5.7
167.07045	100.0
171.08083	8.3
171.11717	11.6
175.07544	6.0
177.05466	25.1
181.10191	6.7
185.09631	6.4
185.13187	9.9
193.08629	13.1
199.11211	9.5
209.08017	10.7
213.00717	4.5
227.06949	11.4
227.10693	39.9
227.12639	12.0
227.14484	10.0
227.17805	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	227.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95748	0.5
53.03933	0.6
55.01868	1.4
55.05508	3.8
56.78089	0.5
57.03428	0.8
57.07071	1.1
59.05003	0.5
64.67696	0.5
65.03934	1.9
67.05495	2.9
69.03416	1.5
69.07069	3.8
70.65351	1.7
71.04995	6.2
73.02911	0.7
78.04716	0.8
79.05492	3.0
81.07050	6.0
83.04967	1.4
83.08638	1.4
85.01807	0.5
85.06531	2.0
91.05476	8.1
93.07041	4.9
93.36589	0.4
93.64782	0.5
95.04974	15.2
95.08601	5.0
97.06537	3.0
97.10160	1.3
98.20793	0.6
99.04453	3.6
99.08075	5.1
100.11274	2.9
103.05452	1.8
105.03391	0.6
105.07029	3.2
106.04181	1.1
107.04953	6.5
107.08581	5.0
108.05733	1.2
109.06514	4.2
109.10153	2.5
111.04429	1.3
111.08085	1.1
113.09640	1.1
115.05460	1.1
115.06355	0.6
115.07554	1.2
115.35500	0.5
117.07014	0.8
119.04956	3.1
119.08577	1.9
120.05694	0.9
121.06515	5.6
121.10136	4.5
123.04456	2.9
123.08063	2.4
123.11667	1.2
125.05975	1.6
125.09624	1.9
127.07540	2.6
131.04919	1.8
131.08571	1.3
133.02853	1.9
133.06482	2.1
133.10135	6.8
135.04425	1.3
135.08054	6.4
135.11729	1.6
136.05208	4.5
137.05971	5.1
138.06729	3.1
139.07571	1.2
139.11165	1.9
140.04692	1.5
143.08536	0.6
143.10646	0.9
145.06467	0.9
145.10054	0.8
146.07259	1.2
147.04399	4.7
147.08054	6.8
147.11682	1.1
148.05200	15.6
149.05984	3.2
149.09639	1.3
149.13269	2.0
151.03923	3.0
151.07547	9.2
151.11111	0.8
153.05467	4.2
153.06691	0.8
153.09113	4.0
154.06258	0.9
155.07130	1.2
161.06000	1.0
162.06738	3.3
163.07535	11.4
163.08803	1.0
163.14828	0.7
164.08321	1.2
165.05487	5.0
166.06255	15.8
166.07666	0.9
167.07072	3.7
168.07816	7.3
169.08522	0.5
171.10175	1.8
173.13252	2.1
177.09097	6.6
178.09886	33.8
179.07056	6.0
179.10635	4.0
181.05092	2.3
181.08594	100.0
182.08936	1.1
185.13257	0.6
191.14326	1.9
193.39279	0.6
194.09390	16.3
195.09999	1.0
209.09854	1.0
209.11726	27.3
209.15350	2.7
210.11877	0.6
212.10344	0.9
227.10564	1.9
227.12695	3.2
227.16275	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1277
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.46808	3.0
55.01876	15.5
55.05509	26.7
56.96557	11.4
57.03424	7.2
57.07060	12.4
65.03951	4.6
66.93231	4.1
67.05502	42.2
69.03431	15.4
69.07060	25.8
70.06116	13.3
71.04992	24.4
71.08589	3.2
73.02895	6.6
79.05484	40.1
81.03411	3.2
81.07046	24.2
83.04960	12.6
83.08644	15.4
85.02908	5.7
85.06537	100.0
86.09214	3.2
86.09678	16.2
91.05476	25.1
93.07031	48.9
95.04966	19.0
95.08588	15.7
95.91841	2.5
97.06544	17.1
97.10173	6.5
98.20872	3.4
98.75561	2.7
99.04453	10.3
99.08118	4.0
100.11253	51.3
101.06058	3.0
103.05450	3.1
105.04465	3.2
105.07026	38.5
107.04959	21.6
107.08587	62.5
109.06509	17.7
109.10139	5.4
111.04422	12.7
111.11653	3.2
113.05976	5.0
116.98604	5.5
117.07002	9.9
119.08575	20.7
121.06506	31.7
121.10136	40.4
123.04418	6.2
123.08082	7.1
125.05996	11.0
127.07567	3.4
128.06212	3.5
129.06999	10.5
130.06528	5.5
130.07785	2.9
131.08551	66.5
132.08052	17.1
133.10100	7.1
134.99663	4.6
135.08061	5.6
135.11662	16.5
137.09610	11.3
139.07602	5.4
140.04677	6.8
142.06540	4.1
142.12239	5.8
143.11790	4.5
145.10115	40.3
147.08011	5.3
147.11650	3.9
148.05177	3.2
149.05981	4.1
149.09608	65.2
149.83879	2.8
153.01819	3.2
153.05415	4.7
153.09099	4.7
154.06462	3.3
155.07033	10.6
155.08435	4.7
159.09187	18.4
159.14932	6.2
163.11169	51.5
164.06808	3.0
165.09100	13.1
167.07043	36.7
167.10657	34.2
169.08583	24.6
170.05959	4.0
173.09590	8.2
174.60141	3.2
177.00572	3.5
177.05475	6.7
178.06267	5.7
181.04936	11.6
181.12210	16.3
183.10162	7.0
183.56621	3.2
185.07039	5.8
185.16528	6.2
191.10645	60.0
191.14166	3.1
195.06474	3.5
199.02867	4.0
199.04568	3.9
199.07471	3.9
199.11201	5.7
200.07121	3.7
209.08109	9.6
209.11678	49.6
209.16661	5.3
212.08401	4.2
227.08061	9.1
227.10527	5.7
227.12672	21.2
227.17581	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	227.1064
Annotation	2-Phenylethyl benzoate
Peak:m/z	Relative Intensity
51.02393	1.8
52.87506	2.0
53.03931	5.0
53.62673	1.8
55.01871	13.0
55.05500	14.0
56.96568	4.7
57.03429	2.3
57.07050	2.1
65.03930	3.7
67.05495	4.5
69.03412	2.7
69.07050	5.3
69.47102	15.6
71.04963	2.0
77.15253	1.7
79.05479	4.6
81.07051	4.7
83.04978	24.3
83.08590	4.3
84.05295	2.0
85.02879	5.4
91.05479	32.3
93.07021	3.6
94.58757	2.4
95.04958	7.8
95.08617	4.0
97.06533	2.7
97.10138	3.4
99.04452	53.1
100.11264	8.7
103.05494	2.3
105.02718	3.9
105.03387	60.5
105.07011	2.4
107.04935	6.2
111.04430	24.3
115.05446	13.8
116.98666	2.1
117.07012	36.6
121.06517	3.4
121.10177	2.6
128.06232	7.0
129.05493	20.5
129.06993	37.7
131.04893	5.1
131.08522	2.0
134.99687	2.6
141.06975	9.5
142.07719	3.8
143.08546	11.2
145.10161	3.1
149.05927	2.6
152.06181	10.1
153.06982	5.6
155.08562	6.8
157.06458	2.9
157.10091	3.4
161.06006	4.9
161.15846	1.9
165.07019	20.7
166.07817	17.1
167.07063	8.0
167.08543	100.0
168.08992	2.3
169.10074	2.3
171.11684	5.7
179.08611	2.1
181.10098	27.5
185.09589	7.3
185.13268	4.5
199.07498	12.5
199.11185	4.5
209.09602	19.8
227.07060	3.2
227.10677	52.5
227.17873	10.5
228.23230	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0912
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03940	3.3
55.01873	7.1
55.05509	9.8
56.96566	2.0
57.03439	3.6
57.07081	2.2
59.04985	2.3
61.02948	1.3
65.03918	4.3
67.05497	6.1
68.99783	4.7
69.03417	4.2
69.07060	8.0
70.40941	3.2
70.41336	4.2
71.04987	19.1
71.10606	1.3
73.02901	2.7
78.04697	3.3
79.05486	11.8
81.03400	2.6
81.07064	13.2
83.04972	3.2
83.08615	5.7
85.02921	2.5
85.06544	5.4
91.05470	21.0
93.03415	5.7
93.07039	22.3
95.04975	21.1
95.08597	6.8
97.02905	2.0
97.06520	7.6
97.10178	2.1
98.20877	1.7
98.97577	2.4
99.04453	31.8
99.08090	4.8
100.11245	9.7
103.05461	9.8
105.03367	1.9
105.07028	6.1
106.04185	4.7
107.04945	15.5
107.08584	15.8
109.06510	6.1
109.10158	7.1
111.04436	4.5
111.08075	4.0
115.05466	1.5
117.05744	1.6
117.07001	1.4
119.04955	3.9
119.08589	3.1
120.05706	5.5
121.02803	1.6
121.06507	33.9
121.10129	8.6
123.04424	15.3
123.08057	3.5
123.11690	5.3
125.06004	8.5
125.09626	3.6
129.06924	3.1
130.06497	3.4
131.04939	4.0
131.08522	3.2
132.08098	17.2
133.02859	1.5
133.10086	8.5
134.03641	4.2
135.04417	5.8
135.08057	2.5
135.11670	2.4
137.05965	3.4
139.07585	1.5
139.11209	3.1
140.04688	4.4
145.10085	2.2
147.04411	1.9
147.11659	1.6
148.05177	36.2
149.05991	25.2
149.09613	4.1
149.13269	5.1
151.03958	7.4
151.11185	4.7
153.01834	2.7
153.05492	8.7
153.09106	5.1
154.06467	2.5
154.47632	1.6
155.07048	3.4
157.07681	3.1
159.09201	12.4
160.07602	3.3
162.03159	3.5
163.03867	3.6
165.05469	3.5
166.06288	6.3
167.07030	45.2
169.12216	1.9
171.06567	2.5
171.10202	2.6
171.14886	2.3
173.13287	3.6
176.04684	5.9
177.05464	23.0
177.09099	2.3
179.03430	2.0
181.04958	6.2
181.07521	3.2
181.10159	2.2
183.13718	2.2
184.07526	2.6
185.07095	5.8
191.14311	3.8
193.04935	2.2
194.05751	37.6
194.34659	1.5
195.06523	57.0
196.07010	1.9
200.07076	4.9
209.08099	100.0
209.15285	7.0
210.08461	4.2
227.09003	9.3
227.14503	2.3
227.16304	9.6
247.12379	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0914
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03936	1.5
55.01870	6.3
55.05507	3.0
56.96555	2.0
57.03416	0.8
57.07057	1.0
65.03941	9.4
67.05497	5.5
69.03435	2.9
69.07072	3.9
70.02921	0.5
70.06579	0.8
71.04983	1.4
71.15911	1.1
73.02916	38.9
79.05498	3.2
81.07042	1.5
82.04205	3.5
83.04981	0.9
83.08605	2.0
85.02909	6.5
85.06520	2.1
86.09705	3.6
91.03925	1.6
91.05472	3.9
93.03412	1.7
93.07025	2.8
95.04967	8.4
95.08603	1.4
97.02888	2.0
97.06516	2.8
97.10153	1.1
98.97535	0.9
100.11251	10.2
103.05448	1.2
105.07030	1.3
107.04951	2.4
107.08627	2.2
108.02107	1.5
109.02866	0.6
109.06519	2.8
110.03653	4.1
111.04447	3.9
116.98651	0.8
119.04936	1.5
119.08575	1.0
120.05573	0.7
121.06532	2.4
121.10130	1.3
123.00830	0.9
123.04420	10.3
123.08073	0.7
124.05183	0.7
125.02340	3.5
125.05962	3.7
131.08537	1.6
132.08112	0.5
133.09967	0.5
134.99687	0.6
135.04417	1.0
136.05180	0.7
137.05952	1.1
138.03082	2.4
139.07524	1.8
140.04678	57.4
141.05040	1.4
142.02588	3.0
145.10133	1.3
149.05972	2.0
149.08514	0.7
149.09573	2.9
151.07509	0.6
152.04662	0.7
153.01816	0.6
153.05447	1.3
155.07025	50.1
156.07336	0.9
157.05025	0.7
158.99644	0.6
163.03844	1.1
163.11172	1.3
166.06290	2.5
167.07040	12.2
167.10684	1.1
171.06519	7.9
173.08096	5.4
178.06244	3.8
179.07074	2.8
181.04955	100.0
181.08388	4.6
181.16528	0.4
182.05348	1.4
183.06531	0.8
191.10612	1.6
195.06523	1.2
209.08101	19.9
209.11624	1.3
209.16502	1.2
210.08510	0.8
227.09081	10.6
227.17619	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0913
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03946	1.5
55.01868	5.8
60.48991	0.6
65.03941	7.9
67.05517	3.0
69.03425	0.7
70.34981	2.1
73.02917	37.0
77.57648	0.5
81.03412	0.6
82.04177	2.4
85.02911	5.5
91.03948	0.8
91.05478	1.4
92.48911	0.5
93.03389	1.8
95.04966	7.4
97.02897	1.3
97.06513	1.7
100.11256	0.5
103.05473	1.4
107.04998	0.6
108.02084	1.7
110.03654	3.8
111.04428	2.2
119.04913	0.6
121.06491	1.3
123.00821	0.6
123.04419	9.6
125.02367	3.6
125.05971	2.3
138.03105	2.8
140.04683	52.5
141.05023	1.1
142.02631	2.6
147.49792	0.5
149.02307	0.6
149.06033	0.9
153.05463	1.7
155.07030	50.2
156.07379	0.8
166.06247	0.9
167.07039	3.7
171.06532	7.4
173.08072	3.8
173.32013	0.5
176.08051	0.5
176.34596	0.5
179.07071	1.9
181.04955	100.0
181.08276	3.0
182.05295	1.9
186.86534	0.6
195.97034	0.6
196.15401	0.5
209.06073	0.8
209.08080	17.4
210.08446	0.8
227.09140	8.8
232.79836	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0913
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03939	1.5
55.01874	5.9
55.05491	3.2
56.96553	1.1
57.03429	1.1
57.07073	1.3
65.03933	9.0
67.05486	4.3
69.03411	1.1
69.07056	2.9
70.06596	1.1
70.27345	3.1
71.04974	1.6
73.02915	37.8
79.05484	3.6
79.33923	1.0
81.03418	1.0
81.07053	2.3
82.04193	2.9
83.04984	1.3
83.08600	1.0
85.02908	6.4
85.06548	2.2
88.75797	1.2
91.05461	3.3
93.03383	2.0
93.07027	4.0
95.04976	10.1
95.08586	1.5
97.02893	1.0
97.06523	2.9
97.10175	1.5
99.08045	1.0
103.05490	1.1
105.07008	1.0
107.04961	1.2
107.08611	2.3
108.02096	1.5
109.06527	0.8
109.10133	1.1
110.03667	4.6
111.04433	2.7
113.06001	0.8
121.06488	3.1
121.10149	1.9
123.00708	1.0
123.04436	8.0
125.02328	2.7
125.05957	3.1
125.71465	0.9
132.08015	1.4
137.05939	1.9
138.03090	2.6
139.07613	1.0
140.04688	52.0
142.02591	3.0
149.05960	2.1
149.09610	1.1
153.05518	1.4
155.07025	43.6
159.09167	1.3
167.07056	11.1
171.06537	7.3
173.08125	4.5
177.05437	2.5
179.07010	3.0
180.57706	0.9
181.04951	100.0
181.08484	3.2
182.05293	1.7
209.08098	18.2
214.10918	0.9
227.07249	1.0
227.09190	9.3
233.85255	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0912
Annotation	Massarigenin B
Peak:m/z	Relative Intensity
53.03938	1.1
55.01866	5.9
55.05491	1.7
63.43597	0.5
65.03937	7.0
66.27180	0.5
67.05502	3.7
69.03423	1.1
69.07056	1.4
70.20875	1.2
70.21272	1.4
71.04979	0.8
73.02917	34.4
79.05482	2.1
79.46680	0.5
81.07034	0.9
82.04198	3.1
83.04958	0.8
85.02895	6.0
85.06522	1.7
86.09692	2.9
91.03941	0.7
91.05486	3.0
93.03403	1.7
93.07015	1.7
94.29861	0.6
95.04966	5.7
95.08620	1.1
97.02877	1.0
97.04002	0.7
97.06528	2.6
100.11244	3.4
103.05476	1.3
105.04532	0.8
105.06982	0.9
107.04961	1.0
107.08596	1.3
107.59646	0.5
108.02079	1.6
109.06522	1.1
110.03650	4.2
111.04408	2.8
112.25642	0.5
115.05424	0.6
117.05740	0.5
119.05026	0.5
119.08564	0.7
121.06503	1.8
121.10174	0.5
123.00796	0.7
123.02607	0.7
123.04424	10.4
125.02356	3.9
125.05984	2.9
127.67247	0.5
131.08536	1.0
132.08069	1.5
138.03085	2.5
140.04683	51.3
141.05022	0.8
142.02579	2.4
149.09613	1.7
153.05435	1.3
153.09085	0.7
155.07027	48.1
156.07330	0.9
157.06308	0.6
159.09213	1.0
166.06342	0.8
167.07069	2.1
171.06529	7.8
173.08115	4.9
177.05382	0.6
179.07045	2.9
181.04950	100.0
181.08321	3.7
182.05319	2.2
209.08115	18.2
209.09744	0.4
209.11708	0.7
210.08357	0.7
212.08289	0.9
227.09064	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	227.0913
Annotation	Ficusol
Peak:m/z	Relative Intensity
51.22554	0.7
53.03934	2.3
55.01865	4.6
55.05521	5.9
56.96559	3.1
57.03419	1.7
57.07072	1.8
65.03936	5.3
65.71888	1.1
67.05502	6.0
69.03416	2.3
69.07069	6.1
69.07392	1.1
69.65979	2.0
69.66383	5.6
71.04651	0.8
71.04979	5.2
71.05318	0.8
73.02916	19.9
78.04700	5.4
79.05491	6.1
81.03393	2.0
81.07047	4.6
82.04195	1.9
83.04979	2.0
83.08606	3.6
84.04469	0.8
84.96048	0.9
85.02902	2.7
85.06554	1.2
86.09694	3.9
89.03920	1.7
91.03955	0.9
91.05466	9.2
93.03420	1.3
93.07048	7.1
94.04211	0.9
95.04960	13.9
95.08612	2.1
97.02923	1.4
97.06548	4.9
97.10151	1.0
99.04448	1.0
99.08092	2.7
100.11260	11.9
103.05457	7.7
105.03375	1.3
105.04530	1.2
105.07043	3.5
106.04171	2.8
107.04937	5.7
107.08591	2.6
108.08149	0.7
109.02898	1.3
109.06525	3.1
109.10128	1.4
110.03660	2.7
111.04430	3.1
111.08076	1.4
115.05411	1.2
116.98573	2.1
117.03362	1.1
118.04122	1.0
119.04923	2.0
119.08601	1.2
121.06514	14.8
121.10128	2.0
122.03668	1.2
123.04433	11.9
123.08077	2.1
124.05228	4.2
125.02342	2.3
125.06000	3.2
125.09640	2.1
127.07628	1.2
128.98601	1.2
131.04935	6.7
131.08615	1.3
133.02844	1.8
133.06471	1.5
133.10146	2.4
134.03630	1.8
134.99634	1.4
135.04436	1.8
135.08070	2.0
137.05977	9.2
138.03206	1.1
139.07527	2.0
139.11160	1.0
140.04671	30.4
142.02606	1.2
145.02849	1.7
146.99654	1.7
147.04457	1.4
148.05205	1.8
149.02472	0.8
149.05988	13.8
149.13264	1.4
151.03908	2.8
152.04709	1.9
153.05487	1.3
153.09152	2.8
155.07025	26.5
159.04413	3.2
161.05978	1.5
163.03867	1.5
165.05542	1.1
166.06360	0.9
167.07031	100.0
168.07446	2.4
171.06514	4.5
173.08115	3.1
173.13301	1.6
177.05460	21.4
179.07033	1.6
181.04955	45.1
181.08609	3.8
183.06598	1.1
185.04684	0.9
191.06879	0.8
194.05876	1.2
208.33160	1.0
209.08083	15.0
209.09929	1.1
209.16510	0.9
217.06111	0.8
227.08978	4.2
227.14458	1.1
227.16470	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0816
Annotation	Harman-3-carboxylic acid
Peak:m/z	Relative Intensity
55.05508	3.5
56.96555	1.5
69.07069	3.7
71.58317	0.6
74.95735	0.7
76.76159	0.7
79.05468	1.0
81.07077	0.8
83.08600	1.7
86.09684	1.6
91.05470	1.3
96.00590	1.5
96.26944	0.7
100.11266	1.2
103.05434	1.0
115.05445	1.5
117.05762	41.8
128.06207	1.5
129.07004	6.2
130.06526	46.8
141.05765	1.6
142.06493	1.4
143.07304	26.4
143.08411	1.5
145.06557	0.7
148.07578	1.7
148.99754	0.7
154.06512	11.3
155.06015	0.9
155.07318	1.5
156.06804	1.4
156.08073	17.2
157.07605	18.7
158.06009	8.8
159.06746	1.2
166.06575	0.8
167.07126	1.5
169.05217	6.0
181.07613	9.6
182.06049	6.3
182.08391	5.4
183.05589	0.8
183.09163	12.4
185.07104	100.0
186.07364	1.7
187.06230	2.0
199.08725	1.3
200.07097	2.9
209.07092	7.6
210.05110	0.8
227.08119	25.8
227.10283	1.7
229.00093	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.9719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81419	3.5
57.03436	9.0
57.67975	3.8
67.49637	3.6
71.04993	4.7
71.07362	9.3
73.02882	4.6
81.03406	7.9
82.06577	17.9
85.02910	4.6
86.03684	6.8
94.93013	13.9
100.07619	27.1
101.12670	4.0
104.43767	3.7
109.02900	6.7
119.01894	7.5
146.55070	7.0
150.95583	100.0
157.03516	7.7
163.31024	4.2
175.04524	5.3
180.96623	7.0
181.05260	5.5
205.11824	4.6
208.96170	12.3
221.00272	4.4
226.97179	20.5
233.47852	4.6
246.08423	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	225.1483
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03938	2.4
55.01855	4.7
55.05508	5.1
56.16428	2.1
57.03429	3.5
57.07071	5.0
65.03936	3.1
67.05494	9.2
69.03419	7.0
69.07060	5.9
69.29888	22.7
71.04975	6.9
79.05486	9.5
79.58582	2.3
81.07055	29.9
83.04976	6.2
83.08593	2.6
85.02903	100.0
91.05479	23.1
93.07040	6.6
95.04976	14.6
95.08605	12.3
97.02893	2.0
97.06528	4.4
99.04440	7.5
105.03381	6.7
105.07017	12.5
107.04955	6.0
107.08575	9.6
109.06525	11.4
109.10183	14.8
115.05448	2.5
119.04944	15.7
119.08575	11.9
121.06467	2.8
121.10117	14.0
123.04414	5.0
123.08074	8.2
123.11701	69.9
125.05990	12.0
125.06917	2.0
125.09675	3.9
127.07581	2.4
131.05859	2.1
131.08588	3.1
133.06514	2.6
133.10159	4.9
135.04430	2.8
137.05968	4.6
137.09602	2.5
139.11191	3.3
144.95479	2.5
145.10048	2.6
147.04398	17.2
147.07991	3.5
147.11679	6.1
149.09622	9.8
151.07549	6.3
161.09753	2.3
161.13245	8.4
163.11179	5.0
165.05504	4.9
165.09088	3.1
165.12741	3.6
166.06108	2.0
166.12250	1.9
167.07095	3.5
167.10747	3.7
172.62401	2.6
175.03896	17.3
177.04445	2.9
179.06989	3.3
179.14333	2.6
180.04248	2.3
181.08498	3.8
183.06635	2.8
189.12711	12.0
192.04112	5.1
196.86040	2.2
197.05997	2.4
207.06567	22.4
207.13803	15.3
225.07347	4.3
225.09221	5.7
225.14795	13.7
226.09810	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	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03941	6.4
55.01868	8.0
55.05503	25.2
55.39196	3.6
57.07069	10.3
57.26654	3.3
59.04983	5.9
67.05510	40.6
69.03082	7.7
69.03431	100.0
69.07054	22.6
69.93884	12.3
69.94293	7.4
71.04993	15.0
79.05497	32.2
81.03406	9.7
81.07058	54.3
83.04983	24.7
83.08627	9.6
85.02879	7.7
85.06544	7.3
87.04468	9.4
91.05474	26.7
93.07033	35.1
95.04977	31.3
95.08610	40.9
97.06529	17.0
99.04437	18.4
103.05476	6.8
105.03389	7.8
105.06397	5.2
105.07031	57.5
107.04943	12.4
107.08588	27.2
109.06528	27.9
109.10143	21.7
110.07336	5.4
111.04452	7.3
111.08076	12.6
113.06116	3.5
117.07065	4.7
119.04942	9.6
119.08575	47.1
121.06505	9.3
121.10133	39.5
122.07241	4.5
123.04401	21.9
123.08070	22.3
123.11692	6.5
125.05979	4.5
125.09623	5.7
129.07001	4.6
131.08571	4.9
133.06485	12.4
133.10130	63.8
135.08044	6.9
135.11664	8.1
137.05981	13.5
137.09613	60.3
139.07613	4.8
139.11191	28.4
143.08554	6.5
145.10155	7.7
147.04465	6.8
147.08044	7.4
147.11696	36.9
149.09596	15.1
151.03853	5.3
151.07538	14.5
151.11165	11.6
156.09349	13.2
159.08122	4.7
159.11626	7.0
161.06123	3.5
161.09592	10.0
161.13240	21.4
163.11169	12.4
165.12694	7.8
167.07059	8.6
167.74786	3.4
171.11687	9.4
174.10405	11.9
175.03941	4.8
179.06984	4.0
179.14267	4.0
180.04158	5.7
189.12766	26.8
193.04932	6.8
198.68170	4.7
207.06589	9.1
207.13782	32.1
225.04062	4.8
225.07576	10.7
225.14885	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	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03956	5.7
55.01871	7.7
55.05516	18.1
57.03430	6.4
57.07065	9.9
59.04997	6.1
64.16698	2.4
67.05170	5.4
67.05505	55.5
67.05837	4.9
67.37755	2.5
67.58353	3.2
69.03429	100.0
69.07066	31.4
71.04981	19.5
71.58459	4.3
79.05490	35.1
81.03415	8.1
81.07060	49.5
83.04984	27.5
83.08618	10.4
85.02901	6.4
85.06527	6.2
87.04486	8.8
91.05486	32.1
93.07034	31.6
95.04978	24.7
95.08613	37.1
97.02891	5.4
97.06541	16.0
99.04440	21.2
99.08112	5.6
100.11268	3.2
103.05489	5.2
105.03414	7.9
105.07024	62.6
105.07681	4.8
107.04963	18.0
107.08587	28.4
109.06519	36.9
109.10157	28.6
111.04443	6.8
111.08083	13.7
113.06059	4.5
113.13776	2.8
117.07040	3.3
119.04955	8.2
119.08575	35.7
120.05604	4.3
121.06520	9.7
121.10148	36.5
122.07307	4.5
123.04434	24.7
123.08045	25.8
123.11710	8.3
125.06031	4.0
125.09617	6.3
129.05569	2.8
129.07068	3.0
131.08577	6.6
133.06522	15.8
133.10129	69.8
133.11098	5.0
135.08069	8.1
135.11668	8.1
137.06026	14.8
137.09624	53.1
137.13234	3.1
139.11168	41.9
143.08600	8.0
145.10159	6.7
147.04416	5.7
147.08072	11.8
147.11708	30.8
149.09608	16.0
151.07553	13.1
151.11139	5.7
153.01807	4.1
156.09348	10.6
159.08066	6.8
159.11697	6.3
161.09639	5.5
161.13234	18.0
163.11127	14.1
165.05537	5.3
165.09198	4.3
165.12810	7.9
167.07072	16.6
167.10690	5.0
171.11723	10.9
174.10408	10.0
175.03839	6.0
177.12779	2.9
179.07101	3.4
179.14252	3.4
180.04195	7.6
181.12285	3.5
183.06616	3.4
183.13815	5.3
189.12750	27.5
193.05025	6.7
207.06541	7.9
207.10394	3.8
207.13824	29.5
225.07542	7.2
225.14653	13.3
226.09914	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
52.03830	3.3
55.05502	10.1
57.07075	5.5
58.45923	3.3
59.04994	9.6
67.05505	24.1
71.04978	3.3
71.28056	9.4
79.05496	5.5
81.07049	15.3
81.55467	3.3
83.04971	8.6
85.02906	35.6
85.06541	7.2
91.05466	9.6
93.07034	10.2
95.08604	100.0
97.06514	4.1
105.07026	5.8
107.08591	12.2
109.06512	13.7
109.10117	4.2
111.04430	4.5
113.05990	7.5
119.04920	7.2
119.08572	14.8
121.10153	11.2
123.08066	44.6
123.11729	25.6
125.05992	5.1
135.11688	7.9
135.99350	4.4
137.09631	6.4
141.09106	4.7
142.34753	3.8
147.04446	7.1
147.65697	3.7
149.09610	14.5
151.07532	6.4
161.13226	6.4
163.11124	6.8
165.12794	8.4
169.08524	3.5
175.03937	6.7
179.14395	5.0
189.12738	8.5
207.06595	7.8
207.13776	18.8
225.14894	16.5
234.75430	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	225.1484
Annotation	MKN-003A
Peak:m/z	Relative Intensity
52.35014	2.0
53.03939	4.0
55.01873	17.8
55.05510	28.7
56.96552	2.3
57.03439	9.7
57.07055	3.7
59.05003	2.0
59.56392	2.0
65.03945	3.3
67.05176	3.4
67.05507	47.6
69.03426	10.1
69.07068	61.2
71.04996	15.6
71.08625	3.5
71.58498	3.1
73.02895	7.5
78.32314	1.7
79.05495	19.1
81.03406	2.7
81.07059	46.2
83.04485	3.1
83.04979	59.1
83.08605	8.6
85.02888	8.4
85.06542	9.3
91.05475	22.1
93.07045	31.0
95.04975	11.4
95.08606	100.0
96.05276	2.1
96.91827	1.8
97.06525	22.0
97.62818	2.0
98.97530	3.2
99.04458	17.5
99.08096	15.7
101.02368	18.0
101.06015	2.1
105.03400	4.3
105.07039	30.5
107.04943	7.3
107.08588	23.8
107.30065	1.9
109.06519	43.1
109.10162	12.4
111.04443	27.3
111.08080	31.9
113.05998	6.3
113.09616	3.0
116.98671	3.7
117.07018	2.6
119.04923	4.0
119.08583	28.1
121.06508	5.1
121.10153	13.6
123.04469	3.2
123.08061	74.6
123.08955	3.8
123.11717	7.5
125.05983	26.3
125.09616	14.7
127.07556	8.5
129.06961	2.5
131.08507	4.6
133.06479	4.3
133.10130	13.4
135.08044	3.7
135.11705	6.0
137.05965	5.8
137.09592	5.3
139.07480	2.7
139.11192	4.2
141.09091	6.8
143.08549	2.9
145.10104	6.0
147.04402	3.5
147.08005	4.8
147.11685	41.3
149.09616	13.2
151.07553	19.4
151.11201	5.1
161.13278	14.2
163.11215	10.1
165.09097	4.1
165.12737	17.6
167.07050	7.5
167.10698	7.6
171.11664	5.2
175.03976	2.1
178.44958	2.2
179.07048	2.7
179.10648	2.3
179.14308	8.9
180.04224	2.8
181.06477	2.3
181.12201	4.5
183.06551	3.0
183.13754	2.1
185.97778	2.0
189.12697	12.7
193.04921	3.0
197.15398	5.2
207.06477	6.0
207.13789	29.1
225.07318	2.4
225.09200	4.5
225.14732	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	225.1483
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03946	3.9
55.01875	2.1
55.05520	9.4
57.03437	3.8
57.07071	5.4
59.04999	9.9
61.03216	1.6
67.05506	14.6
69.03429	14.7
69.07069	12.1
69.33624	2.8
69.34028	11.8
71.04999	4.9
72.00997	1.4
79.05493	15.3
79.69829	1.4
81.07058	23.9
83.04965	10.7
83.08613	7.4
87.04485	13.0
91.05479	20.0
93.07043	49.0
95.04980	9.1
95.08601	20.5
97.06536	6.1
99.04443	4.5
101.05993	2.5
105.03377	2.7
105.07030	40.5
107.04940	5.3
107.08588	33.9
109.06510	13.8
109.10149	9.2
111.04425	1.7
111.08106	8.3
113.06004	1.8
117.07043	4.7
119.04959	3.1
119.08591	27.4
121.06525	4.1
121.10155	7.2
123.08051	16.4
123.11708	6.7
125.06029	3.1
125.09592	1.9
129.07036	3.6
131.08582	5.6
133.06488	6.0
133.10101	10.7
135.08044	4.4
135.11662	3.3
137.05991	5.1
137.09622	6.3
137.13251	2.9
139.11208	6.8
141.06979	2.4
141.09019	3.0
143.08591	5.4
145.10141	4.1
147.04393	2.1
147.08046	8.3
147.11690	15.9
149.09572	8.0
151.07574	5.3
151.11179	89.5
156.09352	6.6
159.11731	7.2
161.09639	4.9
161.13251	20.4
163.11169	4.1
165.09128	1.7
165.12778	4.7
167.07083	3.3
169.08702	1.7
171.11761	7.5
174.10387	2.4
177.12781	3.7
179.14366	4.3
180.04126	2.4
189.12729	15.5
207.06554	4.3
207.13794	100.0
208.14241	2.4
225.09340	2.0
225.14810	19.3
225.16623	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03931	3.5
55.01869	22.3
55.05508	21.9
56.96556	2.0
57.03428	2.7
57.07075	2.7
60.46035	1.5
61.02933	2.0
65.03938	2.5
67.05507	38.0
69.03416	6.7
69.07066	59.5
71.04993	19.7
71.08074	3.6
71.08628	2.1
73.02913	10.0
78.85487	1.4
79.05486	14.3
81.07056	35.2
83.04974	10.0
83.08611	6.2
85.02889	7.1
85.06539	7.9
91.05053	1.5
91.05490	16.7
93.07046	28.5
95.04987	8.8
95.08604	100.0
97.06528	24.6
97.10194	1.7
98.97591	2.5
99.04453	37.4
99.08081	4.3
101.02374	24.0
105.03368	3.3
105.07030	29.9
107.04969	4.1
107.08592	21.2
109.06513	18.9
109.10162	6.6
109.78140	1.5
111.04456	4.9
111.07363	2.7
111.08085	34.9
113.06018	4.6
113.09661	1.9
119.03346	1.5
119.04964	2.4
119.08575	21.3
121.10123	6.2
123.08072	25.8
123.11686	5.9
125.05984	26.3
125.09666	3.0
127.07558	4.1
129.06960	3.1
131.08583	3.6
133.06526	3.4
133.10141	9.0
135.08080	4.6
135.11668	2.0
137.05949	2.9
137.09602	3.5
139.07584	1.9
139.11183	2.2
141.09111	5.6
143.08554	3.6
145.10121	5.7
147.08055	3.9
147.10516	1.6
147.11684	31.1
149.09619	4.5
151.07552	15.1
151.11137	2.5
153.09026	3.1
155.07118	1.8
155.08481	1.7
161.09650	3.7
161.13252	13.8
163.11169	3.8
165.05423	1.9
165.09102	5.2
165.12704	8.9
167.07011	5.1
167.10715	8.5
171.11685	2.6
175.03870	1.6
177.00745	2.2
179.10596	2.3
179.14342	7.8
179.86807	1.3
183.11588	2.2
183.13748	7.5
189.12714	12.3
197.15396	5.7
207.06418	3.6
207.10141	1.9
207.13785	15.0
210.06862	1.7
225.09229	2.2
225.14703	11.4
226.09778	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1121
Annotation	3-Ethoxy-1-(4-hydroxy-3-methoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
51.02389	0.5
53.03939	1.4
55.01867	1.2
55.05502	2.6
57.03438	1.7
57.07074	6.6
59.04990	2.3
65.03938	0.9
67.01871	0.6
67.05505	4.2
68.99782	4.7
69.03423	1.8
69.07068	1.5
71.04989	2.0
71.08624	1.8
73.06561	1.1
75.19650	0.5
79.05491	12.8
81.03431	1.8
81.07055	59.8
83.04973	3.6
83.08602	0.7
84.49857	0.5
85.02901	7.4
85.06549	1.5
91.05473	2.4
93.07036	1.5
95.04974	4.2
95.08609	4.7
97.02894	0.6
97.06489	0.9
99.04449	9.3
99.08089	2.0
105.03397	1.0
105.07011	1.2
107.04955	1.4
109.02856	1.3
109.06530	1.9
109.10159	1.3
111.00797	2.3
111.04482	2.7
111.08141	0.5
113.09557	0.6
119.04958	1.7
119.08582	1.2
121.10167	0.9
123.04427	26.8
123.08038	2.9
123.42996	0.5
125.06024	0.6
127.02960	0.7
127.03909	13.6
133.10147	1.2
137.02316	0.9
137.05963	17.0
137.09605	1.8
139.03897	97.9
139.11224	0.7
140.04312	1.1
141.09097	10.9
142.09312	0.6
147.04417	1.1
151.03902	19.9
151.07483	1.1
153.01819	4.4
153.05437	4.8
155.03383	48.0
156.03731	1.0
161.09576	0.6
163.03938	1.5
164.04677	0.6
165.05472	24.9
167.07013	2.5
169.04984	3.3
178.06267	1.1
179.07024	3.1
179.08380	0.5
179.10651	0.6
180.04161	1.9
183.06477	1.9
183.10229	1.4
189.09138	1.3
207.10162	22.4
211.20033	0.6
213.07919	0.7
225.11206	100.0
226.11563	2.2
229.17532	0.8
229.98262	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1121
Annotation	Aspidinol
Peak:m/z	Relative Intensity
53.03948	1.2
55.01859	1.4
55.05507	5.1
57.03428	1.9
57.07063	5.1
65.63156	1.1
67.05488	4.2
68.99783	4.4
69.03411	1.9
69.07077	1.4
70.83785	3.5
71.04972	2.3
71.08620	6.2
79.05499	7.6
81.03400	1.7
81.07053	22.0
83.04958	1.3
85.02886	4.2
85.06541	2.2
86.66579	1.0
89.69491	1.1
91.05491	6.0
93.07032	1.8
95.04948	4.6
95.08604	8.8
97.06478	1.3
99.04435	3.0
99.08092	3.7
99.30505	0.9
105.03424	5.4
105.07024	2.8
107.04934	4.2
107.08557	1.5
109.02825	1.6
109.06491	3.5
109.10163	1.3
111.04414	3.0
119.04929	7.1
120.05591	1.4
121.10115	1.8
123.04427	23.2
123.08058	3.9
125.05947	1.0
127.03905	11.6
137.02324	1.8
137.05981	20.2
137.09592	3.4
139.03897	81.0
141.09094	17.5
147.04376	4.3
151.03880	7.6
153.01819	4.5
153.05463	6.5
155.03384	62.0
165.04156	2.1
165.05472	30.0
165.09099	1.4
167.07042	1.7
179.07036	2.2
180.04141	2.4
183.10100	1.4
207.06602	1.2
207.10162	15.4
225.09283	4.0
225.11194	100.0
226.09619	2.2
226.11618	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0756
Annotation	Sepedonin
Peak:m/z	Relative Intensity
53.03942	2.9
55.01868	4.3
55.05492	4.4
57.03427	3.1
57.07063	2.9
59.05009	1.9
62.16202	1.5
65.03936	5.4
66.06138	1.6
67.05515	7.4
68.99780	3.3
69.03413	3.5
69.07057	2.5
70.83971	5.4
71.04990	4.0
77.03928	2.7
79.05495	11.3
79.35805	1.5
80.95933	1.6
81.03406	2.7
81.07058	17.5
83.04965	4.2
83.08636	1.9
84.08126	1.6
85.02898	29.5
85.06519	3.8
89.03897	2.6
91.05479	81.3
93.03409	2.2
93.07031	6.8
95.04967	23.2
95.08614	9.1
97.02895	1.8
97.06532	4.1
99.04465	8.4
103.05438	3.7
105.03402	10.8
105.07028	7.5
107.04953	23.4
107.07909	1.5
107.08569	8.4
109.02862	1.6
109.06518	12.7
109.10157	5.8
109.98928	1.3
111.04446	2.6
118.04166	10.2
119.04939	67.2
119.08566	4.4
119.42746	1.6
121.02830	4.4
121.06527	3.6
121.10141	8.2
122.03688	2.5
123.04432	10.9
123.08064	7.5
123.11713	19.4
125.06023	5.5
125.09599	1.9
131.04996	1.7
132.02080	4.9
133.02838	6.9
133.06461	2.2
133.10150	3.0
135.04417	9.5
135.08006	2.0
135.11766	2.3
136.05148	3.1
137.05948	12.2
137.09616	1.9
139.07503	2.2
140.04655	2.3
145.10095	3.2
146.03635	2.3
147.03230	2.9
147.04407	60.0
147.08104	2.4
147.11693	2.3
149.02332	16.5
149.09625	6.2
150.03197	1.8
151.03874	2.4
151.07578	6.5
153.05566	2.3
155.07011	2.9
157.03976	3.8
161.02386	2.3
161.13303	3.2
163.03886	11.6
163.11169	9.8
164.04710	9.0
165.01852	5.5
165.05511	13.4
165.09146	2.9
167.07018	8.2
167.10709	3.4
174.03079	2.0
175.03903	92.2
176.10712	3.5
177.01799	4.2
178.02660	2.1
179.07040	7.0
180.04150	29.1
180.07640	1.8
181.06572	1.5
181.08560	2.6
181.12291	2.2
182.05655	1.4
183.06555	9.5
183.13811	2.6
189.12764	4.9
192.04181	29.8
193.04971	16.3
194.05841	2.0
194.11722	2.6
195.06538	5.2
197.08075	2.8
207.06516	100.0
207.13733	16.4
207.25716	1.5
208.06801	2.0
210.05142	2.2
222.93729	1.6
225.07382	11.7
225.09422	2.5
225.11066	3.5
225.14729	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	224.2006
Annotation	N-Isobutyldeca-trans-2-trans-4-dienamide
Peak:m/z	Relative Intensity
50.16451	0.7
51.05224	0.7
53.03929	1.8
55.01871	1.3
55.05510	7.9
57.07074	5.8
60.04263	0.9
60.04523	10.9
65.03922	2.9
67.05502	41.3
68.05015	1.3
69.06786	0.8
69.07069	8.2
70.06594	1.1
71.32461	1.8
79.05066	1.2
79.05492	16.6
80.05011	3.6
81.05770	1.0
81.07053	22.3
82.06575	6.9
83.04993	0.8
83.08604	3.5
91.05482	10.6
92.05749	0.9
93.05769	3.5
93.07040	8.7
94.06562	9.8
95.04943	3.1
95.08607	15.8
96.08118	1.8
97.10092	1.2
98.06035	1.2
105.03378	1.2
105.07011	6.4
106.06548	1.0
107.07326	1.7
107.08591	2.3
108.08104	10.1
109.06540	1.0
109.10168	5.9
112.07604	1.3
119.08559	2.7
121.08855	1.0
121.10132	1.1
122.09668	1.4
123.11681	1.9
124.79206	0.8
126.12775	1.0
128.14322	1.8
159.76175	0.9
164.57091	0.8
186.55898	0.9
193.18282	1.1
194.19028	12.6
197.05965	0.8
197.40332	0.8
206.08360	1.0
206.19040	9.6
207.17465	1.3
224.07092	1.0
224.20078	100.0
225.05408	1.7
225.20377	2.0
226.04301	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.128
Annotation	Maokonine
Peak:m/z	Relative Intensity
56.96559	3.3
58.06588	5.0
58.26034	1.2
67.05501	2.0
68.05043	1.8
68.09497	1.1
69.03445	1.4
69.07066	1.9
69.87082	7.6
70.06564	1.3
79.05496	6.6
80.13443	1.2
81.03424	1.5
81.07059	1.8
82.06573	1.5
83.04969	2.1
85.02911	2.1
90.99297	1.4
90.99973	1.2
91.05463	11.1
93.07030	1.9
95.04964	2.1
97.02866	1.5
98.20802	1.8
98.97549	1.9
103.05463	12.5
105.03359	2.5
105.07026	35.8
107.04952	5.2
107.08549	1.6
110.06023	1.2
116.98578	2.0
117.06989	1.9
118.06545	15.2
119.04935	2.4
119.07315	1.6
120.08095	22.1
121.06476	1.6
121.10123	1.4
122.06033	1.1
123.04419	1.9
123.08054	1.6
128.06209	5.5
130.06523	4.9
131.04918	4.5
131.07314	3.9
131.08566	1.4
132.08073	2.2
134.99638	3.1
137.06007	2.0
143.08562	3.9
146.99648	1.2
147.04440	2.8
150.02728	1.3
150.14589	1.3
158.09581	1.4
160.11220	100.0
161.11589	2.4
164.07079	1.4
175.03886	1.8
178.12274	78.9
179.12611	1.9
206.11755	12.6
207.06499	3.9
224.06714	3.4
224.09160	2.8
224.12830	20.6
224.17351	1.9
225.04272	2.9
226.04309	9.5
227.04036	1.6
228.02287	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1691
Annotation	Rumphellolide F
Peak:m/z	Relative Intensity
53.03944	2.5
53.86156	0.9
55.01880	0.9
55.05510	8.3
56.96557	3.7
57.07067	1.9
64.48778	1.0
65.03939	1.8
67.05503	57.8
69.03434	1.3
69.07068	6.5
71.04986	1.7
74.59422	0.9
75.55254	0.9
79.05489	19.5
81.07055	100.0
82.07397	1.4
83.04985	2.3
83.08609	2.6
85.06540	1.3
91.05498	4.5
93.07047	19.1
95.04956	2.8
95.08605	94.1
96.08934	1.4
97.06539	2.4
98.21538	1.8
105.07057	5.4
107.08592	16.5
109.06529	1.7
109.10144	24.3
109.10828	1.7
111.08099	1.9
117.07016	1.4
119.08566	3.6
121.06474	1.5
121.10146	13.8
123.08082	3.2
123.11703	3.7
125.09709	1.5
131.08612	6.3
133.10078	1.9
135.08061	2.3
135.11710	2.7
145.10118	5.4
149.02359	5.8
149.09599	4.4
159.11667	2.1
163.11250	2.3
163.14827	7.0
167.10648	1.4
181.12239	1.1
184.94354	1.0
187.14781	5.9
205.12274	1.2
205.15840	4.4
206.50122	1.0
218.07898	2.0
223.05943	1.5
223.11348	1.3
223.13342	2.0
223.16927	11.9
225.04214	5.4
227.02193	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1328
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
53.03937	7.6
53.38518	3.2
54.12918	3.4
55.01859	11.5
55.05499	16.0
56.96552	11.3
57.03434	5.6
57.07069	8.4
59.04987	14.7
59.89269	3.7
62.43367	3.5
65.03922	5.4
67.05490	23.4
69.03425	23.6
69.07058	13.6
70.64539	11.5
71.04973	10.2
79.05495	32.0
81.03420	7.3
81.07069	22.6
83.04987	29.5
83.08604	8.1
85.02875	5.4
85.06538	7.8
87.04466	4.4
91.05472	55.8
93.07047	96.9
95.04560	3.0
95.04977	31.8
95.06085	4.3
95.08604	21.3
97.02866	8.4
97.06512	8.7
98.97572	21.5
103.05461	16.8
105.03343	4.1
105.07019	42.5
107.04944	9.7
107.08597	51.1
109.06503	23.4
109.10161	9.1
111.08082	13.7
113.06000	3.5
115.05441	8.4
116.98628	23.3
117.07037	29.1
118.18139	3.7
119.04958	6.9
119.08585	20.5
120.08089	4.0
121.05665	6.6
121.06501	100.0
121.07374	6.3
121.10131	30.7
123.08052	13.1
125.09607	6.5
128.02274	3.6
129.06992	10.8
131.04982	18.6
131.05809	3.6
131.08603	19.4
133.06520	5.6
133.10124	18.1
134.99660	20.2
135.04396	4.5
135.08041	15.1
135.11679	15.6
136.86015	3.4
137.05984	11.5
139.07510	13.7
142.07773	8.8
145.06499	30.9
145.10092	17.5
146.99486	3.6
147.04376	4.8
147.07994	10.4
147.11613	6.6
148.04701	13.6
149.02341	18.2
149.06003	7.0
149.09619	71.2
151.03864	4.4
151.11217	4.2
153.09096	17.0
153.10225	5.2
157.10135	14.0
158.99695	4.3
159.08076	6.1
159.11694	39.2
161.05943	5.3
161.09572	8.8
162.03111	4.2
163.07495	17.2
163.11124	18.7
165.05487	3.9
167.05629	5.6
167.06992	3.8
172.08850	9.1
175.11182	31.4
177.00706	10.8
177.05464	9.0
177.09135	21.8
177.12631	19.7
179.10645	6.0
187.11192	30.6
192.07825	8.0
193.12256	7.1
205.04947	8.2
205.08548	13.5
205.12161	25.3
208.03531	4.9
223.05983	32.7
223.09650	9.0
223.13264	55.0
223.16963	13.1
225.04289	57.7
227.02228	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	223.1329
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
53.03938	10.1
55.01865	11.1
55.05501	10.9
56.96556	5.8
57.03442	4.0
57.07067	7.8
59.04990	9.3
61.02912	3.8
67.05503	24.0
69.01101	2.3
69.03423	25.1
69.07060	10.2
71.04972	6.0
71.58235	4.2
72.08136	4.2
79.05496	26.7
81.03421	7.1
81.07066	21.2
83.04980	28.8
83.08604	5.8
85.02899	6.8
89.46294	2.4
90.35838	2.5
91.04970	4.3
91.05475	51.2
92.05761	3.4
93.07047	100.0
95.04977	28.6
95.08598	17.8
97.02896	5.4
97.06520	10.5
98.97578	4.6
99.04459	3.4
103.05444	11.9
105.03374	5.8
105.04492	4.0
105.06386	3.7
105.07034	41.6
105.84602	2.4
107.04960	13.3
107.08606	34.5
109.06521	20.7
109.10149	9.8
110.03475	3.4
111.04426	6.3
111.08081	11.1
113.06003	7.0
115.05462	7.3
116.98597	8.0
117.07016	23.7
119.04906	6.8
119.08591	24.6
121.02857	5.2
121.06503	95.5
121.10144	38.8
122.07185	3.4
123.04415	5.1
123.08092	11.6
123.11692	2.5
125.07051	2.9
125.09631	8.3
127.07543	3.2
128.06209	4.3
129.07016	14.7
130.07805	3.2
130.98285	2.5
131.04909	10.8
131.08554	21.6
133.06493	6.0
133.10094	13.3
134.99667	7.0
135.04439	3.1
135.08046	18.3
135.11694	9.0
136.08685	3.4
137.05974	7.1
137.09622	8.0
139.03932	4.5
139.04968	2.7
139.07542	15.6
142.07800	6.7
144.09320	7.0
145.06496	11.1
145.10126	18.8
147.04372	6.4
147.08049	6.8
147.11687	5.9
148.04774	4.8
149.02350	22.2
149.05954	12.9
149.08429	4.7
149.09616	81.3
149.13248	2.6
151.07643	2.6
153.09126	19.1
154.07852	2.7
157.08839	4.1
157.10051	13.8
158.99612	3.9
159.08052	6.2
159.11693	29.2
161.06007	3.4
161.09641	9.2
162.03154	2.8
163.03882	5.9
163.07530	11.3
163.11153	17.5
165.09116	7.5
167.05669	3.6
167.07005	5.8
169.10172	2.7
172.08792	8.8
175.11197	37.2
177.00768	5.0
177.05484	14.8
177.09125	10.4
177.12683	20.8
179.07092	3.0
179.10696	11.4
181.12256	3.9
187.07585	3.1
187.11160	27.5
190.02661	4.2
192.07851	19.5
193.12286	6.6
205.04988	6.0
205.08519	7.3
205.12166	36.2
208.35091	2.5
223.02567	4.2
223.05930	12.5
223.09692	9.1
223.11490	2.6
223.13290	60.5
223.15152	6.6
223.16777	13.1
225.04297	57.4
226.04269	4.8
227.02211	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	223.1328
Annotation	Placidene C
Peak:m/z	Relative Intensity
52.56517	0.4
53.03936	1.4
55.01855	1.6
55.05269	0.5
55.05512	6.6
57.07053	1.0
59.04996	0.6
65.03936	0.7
65.10617	0.4
67.05506	4.8
69.06716	0.6
69.07065	5.9
71.04999	0.7
71.58877	0.5
71.59314	0.5
79.05492	4.7
81.03416	11.2
81.07058	4.8
83.04955	0.9
83.08610	2.7
85.02900	0.5
85.06529	0.5
90.00251	0.4
91.05492	2.8
93.07042	2.8
94.04181	4.1
95.04964	14.5
95.08603	2.0
96.05292	0.4
97.06522	0.6
105.07018	2.0
107.04945	5.7
107.08565	1.8
109.06526	1.9
109.10149	1.2
111.08085	0.5
114.19574	0.4
117.07006	1.8
119.08560	1.0
121.06509	0.9
121.10086	0.9
123.08066	1.0
125.56521	0.4
131.08546	1.4
132.38585	0.4
133.10136	0.6
135.08052	0.7
135.11684	0.6
143.08551	0.6
145.06445	1.2
145.10081	1.4
149.02327	2.6
149.09636	0.5
163.11171	1.3
167.05724	0.5
184.34665	0.4
187.11150	0.4
205.12259	2.0
223.06003	1.2
223.13281	100.0
223.16884	3.0
224.13609	2.4
225.04352	2.4
227.02299	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0964
Annotation	Coniferyl acetate
Peak:m/z	Relative Intensity
51.02371	0.6
54.60677	0.5
55.01876	1.1
55.05506	1.3
57.03431	2.9
57.07060	0.9
67.05510	1.5
69.03411	1.0
69.07072	1.1
70.05318	1.3
70.05719	1.7
71.04997	1.5
79.05488	1.7
81.03436	1.2
81.07066	2.7
83.04970	1.9
83.08635	0.7
91.05482	1.8
93.07040	2.7
94.04198	1.4
95.04963	1.7
95.08614	2.1
99.04456	2.2
103.05466	44.9
104.05785	0.6
105.07033	2.2
107.04935	1.3
107.08596	1.9
109.06509	2.6
109.10177	1.0
110.03669	1.0
111.08070	1.7
115.05443	1.5
117.07010	9.7
119.04908	0.9
119.08538	1.2
121.06510	2.0
121.10168	2.1
122.03679	2.8
123.08047	0.8
131.04929	100.0
132.05276	2.3
133.62546	0.5
135.04424	0.6
135.08112	1.0
135.11670	1.6
137.05975	31.5
137.09596	1.3
138.06383	0.8
145.06482	9.1
145.10130	1.1
149.02299	1.4
149.05966	1.0
149.09584	0.9
159.10387	0.5
159.11687	1.5
161.05959	5.0
163.07539	52.3
164.07841	1.1
165.09149	1.0
167.10652	0.9
177.05490	0.6
177.09131	3.6
177.12811	1.0
181.04997	0.9
181.08572	0.5
181.12257	0.9
205.08614	6.1
205.12070	1.2
205.15895	0.6
223.06071	0.8
223.09575	2.2
223.13345	2.3
223.16905	2.3
225.04320	2.2
227.02232	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1488
Annotation	Phenethylcarbamic acid butyl ester
Peak:m/z	Relative Intensity
53.03937	0.7
53.05399	0.3
55.01896	0.3
55.05507	3.4
56.96573	0.3
57.03434	0.3
57.07059	0.8
57.35834	0.2
62.46405	0.2
67.05495	0.8
69.03394	0.3
69.07064	0.7
70.07384	0.3
70.79516	0.4
70.79847	0.6
71.04971	0.3
73.06544	1.2
79.05490	4.9
81.03450	0.5
81.07050	1.0
83.04974	8.5
83.08581	0.4
90.17670	0.3
91.05461	1.7
93.07027	0.9
94.07375	0.3
95.04961	1.2
95.08605	1.3
96.08958	0.3
97.06512	0.3
98.97615	0.4
103.05461	6.7
105.07024	100.0
106.07362	2.1
107.04941	0.3
107.08562	0.8
117.07058	0.5
119.04913	0.8
119.08579	2.6
119.24642	0.3
120.08089	1.2
120.08858	0.4
121.06482	0.5
121.10148	0.4
122.09654	4.2
122.10474	0.3
130.05577	0.6
130.06523	8.6
130.07494	0.5
131.04916	3.0
131.08575	0.3
133.10097	0.7
134.06844	0.3
135.08064	0.9
135.11693	0.6
137.06001	0.5
137.09598	1.7
146.09616	0.3
147.04407	0.3
148.07564	60.0
149.02325	0.7
149.07896	1.0
149.13205	0.8
161.09546	0.5
163.03918	0.3
163.07512	1.3
163.11148	0.4
164.04251	0.3
165.05559	0.4
176.06987	0.3
176.14307	3.8
177.12735	11.5
190.06052	0.3
190.08659	0.4
191.06586	0.7
194.09035	0.3
204.13818	6.6
204.18230	0.2
207.05815	0.3
222.08435	0.7
222.11266	2.5
222.14813	2.0
222.18384	2.8
223.05875	0.4
223.11304	0.4
223.13239	0.4
225.04219	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1487
Annotation	Phenethylcarbamic acid butyl ester
Peak:m/z	Relative Intensity
51.02393	0.3
53.03939	0.5
55.05258	0.3
55.05509	3.6
56.96553	0.4
57.03420	0.5
57.07070	0.7
59.04971	0.3
62.63888	0.2
67.05511	0.4
70.25124	0.2
71.58452	0.2
71.58842	0.2
73.06554	1.3
77.03918	0.4
79.05487	3.6
81.07058	0.4
83.04980	6.3
85.06546	0.2
85.57417	0.2
86.56043	0.2
91.05454	0.3
93.07049	0.4
95.04963	0.8
95.08588	0.8
98.97556	0.2
101.06005	1.3
103.05457	5.1
105.07027	100.0
106.07356	2.1
109.10092	0.2
111.04483	0.2
116.98653	0.3
119.04916	1.0
120.08105	1.6
121.06508	0.4
122.08767	0.3
122.09666	7.3
130.06517	8.4
131.04930	0.7
137.06015	0.2
146.09570	0.3
148.07567	52.6
149.07907	1.2
163.07471	0.3
176.14340	2.6
203.23361	0.2
204.13828	5.6
205.03883	0.3
222.08090	0.2
222.14871	3.1
222.18492	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54539	1.2
53.03954	1.1
55.05513	69.1
56.05027	1.4
56.96562	4.4
57.07054	1.4
58.99585	4.1
59.06120	1.2
60.04522	4.5
62.74966	1.1
67.05518	1.4
68.05013	1.5
69.07064	2.1
70.06580	3.1
72.08144	1.2
76.02234	2.1
79.05482	1.2
79.36797	1.0
81.07046	2.2
83.08621	100.0
84.04453	1.4
84.08157	1.9
86.99041	5.4
91.05477	1.8
92.05816	1.1
93.07020	1.3
95.04974	2.4
95.06108	1.4
95.08627	1.2
98.97551	2.0
101.09657	12.2
103.05473	48.5
105.00105	7.1
105.07045	1.6
109.06525	1.1
109.10177	1.5
111.08116	1.1
111.59579	1.3
117.07037	1.2
121.06499	4.8
122.02799	1.6
122.03664	1.4
129.10272	1.6
130.06575	1.5
131.04929	85.4
136.06187	4.9
137.05966	13.8
138.06319	1.5
139.47868	1.2
145.06497	1.8
148.06250	1.7
148.07582	3.8
149.02332	1.5
151.03915	1.1
153.01863	7.6
158.55801	1.2
159.08189	1.3
160.07578	1.1
161.06084	2.0
161.08345	5.9
162.05518	1.7
163.07542	42.1
164.08092	1.4
167.62318	1.1
175.07426	1.5
176.07083	10.5
177.09119	2.1
180.10222	6.0
189.07803	7.1
190.08624	11.1
204.10280	3.4
205.08978	9.7
207.08902	10.8
216.98036	1.4
222.11272	93.7
222.13354	4.9
223.11540	1.5
225.04274	4.8
226.98608	3.2
227.02065	2.3
229.68294	1.2
244.99579	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55391	0.9
54.35513	0.9
62.61580	0.9
62.78725	0.9
71.07375	1.5
71.43080	2.1
86.09295	1.1
86.09717	12.4
119.01917	2.0
138.96344	1.7
156.97469	53.0
162.95561	6.0
174.98534	100.0
175.98648	2.3
179.99077	3.7
198.00124	4.3
198.98517	13.8
216.99577	43.6
217.99768	1.8
222.02879	4.6
240.01151	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1123
Annotation	N-Methylcorydaldine
Peak:m/z	Relative Intensity
55.01871	1.7
55.05506	7.3
56.05014	1.7
56.96558	3.0
57.03436	1.0
60.04512	2.8
61.02913	1.1
67.05492	2.7
68.05016	1.1
69.03426	1.6
69.07069	3.2
70.06579	2.4
71.43864	0.9
71.57964	1.1
72.08154	3.0
72.81816	0.8
72.92627	0.9
79.05490	1.5
81.07064	2.5
83.04999	1.1
83.08617	8.7
85.02910	1.7
89.78286	1.0
91.05470	2.6
91.81291	1.0
93.07055	1.9
95.00311	1.0
95.04979	2.2
95.08560	1.6
97.02882	1.3
97.07703	0.9
98.97587	3.3
101.02398	1.1
103.05463	37.4
104.05781	1.3
105.07042	2.8
107.04993	2.2
107.08606	2.0
109.07654	1.3
109.10168	1.5
111.08031	1.1
116.98640	3.7
117.07035	1.5
119.08588	2.2
120.08067	1.3
121.06509	3.6
122.07029	1.3
123.11699	1.6
131.04924	79.0
134.99661	2.9
136.06186	14.0
136.07578	1.9
137.05980	11.1
145.06464	1.6
146.99654	1.8
148.06195	3.7
148.07565	4.6
149.02341	1.9
149.05992	1.7
158.99689	1.4
159.06380	1.1
160.07600	1.0
161.05922	1.2
161.08328	4.7
162.05400	1.2
163.07539	49.3
167.07069	1.7
176.07039	9.7
176.09198	1.1
176.10477	1.3
176.15236	1.1
177.00710	2.0
177.09122	1.2
180.06534	0.9
180.10109	5.4
189.07860	4.7
190.08585	8.4
194.16144	1.2
204.10249	3.2
204.12349	1.4
205.08833	1.2
205.12160	1.3
207.08879	8.9
222.07666	6.0
222.11298	100.0
222.13504	17.7
223.05981	1.5
223.09712	1.3
223.11505	2.3
223.13423	5.0
225.04243	5.8
227.02222	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03950	2.0
55.01871	4.4
55.05513	23.2
56.96564	3.9
57.03433	3.2
57.07068	5.8
59.04995	3.2
65.03935	4.1
67.05500	28.1
68.99785	2.9
69.03438	4.8
69.07063	27.9
70.84597	4.9
71.04991	28.8
78.04709	4.4
79.05489	32.2
81.07057	100.0
82.07383	2.9
83.04988	5.7
83.08620	9.8
85.06533	4.5
91.05476	26.7
93.07039	53.9
94.07393	1.9
95.04973	8.5
95.08602	57.6
96.29214	2.0
97.06540	6.7
97.10187	5.5
98.97598	2.6
99.08105	4.5
102.04689	5.9
103.05471	6.5
104.06262	4.1
105.07027	54.9
106.07362	2.7
107.04971	9.3
107.08587	60.7
109.06516	8.0
109.10150	43.4
111.08072	11.5
115.05447	6.1
116.98632	3.1
117.07043	6.7
118.04172	3.1
119.04949	11.8
119.08575	55.9
121.06512	7.4
121.10130	22.1
123.08064	8.0
123.11703	24.4
125.09640	3.2
127.11259	5.8
130.04167	4.3
131.04935	10.2
131.08574	5.1
132.05716	8.7
133.06477	14.4
133.10121	30.6
135.04420	8.1
135.08051	6.1
135.11694	73.5
135.54869	2.3
137.05992	4.2
137.09615	10.2
137.13269	5.6
139.11180	3.8
143.04945	3.6
143.08566	2.5
145.10168	4.6
146.03658	3.9
147.04395	27.9
147.08014	4.5
147.11673	35.4
149.06029	3.1
149.13271	16.4
151.07584	2.7
151.11220	6.0
159.04420	2.7
159.11810	2.8
160.05179	6.2
161.05974	18.2
161.09674	3.8
161.13249	15.6
162.06770	10.5
162.11082	2.5
163.03897	22.3
163.07523	4.9
163.11157	2.8
163.14873	7.5
165.01884	8.5
165.07007	2.9
165.09196	3.1
165.12798	3.5
175.03944	10.3
175.07494	3.5
175.14796	14.0
176.04773	4.0
177.05508	6.0
177.16438	4.2
178.06267	12.1
178.07700	3.2
179.10709	3.5
188.04704	8.4
189.05472	6.2
190.06244	26.8
191.03409	12.8
191.06824	3.5
193.06999	3.6
193.08626	22.8
203.07065	2.3
203.14368	3.9
203.17950	42.4
206.05722	25.5
206.16246	7.6
221.04575	2.6
221.08060	54.0
221.11646	4.9
221.15613	12.2
221.19023	71.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.6
55.01897	2.1
55.05504	16.5
56.96554	8.1
57.07057	8.3
59.40311	1.8
67.05502	22.9
69.03439	2.1
69.07063	14.5
70.78874	7.2
71.04982	11.9
76.30367	1.9
79.05494	21.7
81.07052	58.4
82.07375	3.3
82.52544	2.3
83.04979	5.2
83.08619	9.4
91.05459	18.9
93.07038	43.2
95.04935	4.7
95.08601	38.3
96.08945	2.8
97.06561	3.3
97.10133	4.6
98.97605	4.7
99.08070	4.7
103.05450	8.7
105.06385	3.4
105.07026	35.5
107.04951	6.2
107.08585	64.3
109.06519	7.9
109.10138	29.6
110.10384	2.0
111.08066	10.8
111.82764	2.0
113.09682	2.1
115.05435	3.7
116.93985	2.1
116.98598	5.5
117.07047	2.3
119.04951	2.8
119.08566	45.6
121.06500	8.7
121.10131	16.1
123.08042	7.6
123.11678	20.3
125.09588	2.5
127.11179	3.6
129.06982	2.9
131.04915	9.5
131.08595	2.8
132.05588	2.4
133.06473	8.0
133.10133	31.1
134.99611	6.2
135.08095	4.3
135.11690	100.0
137.05965	8.7
137.09608	8.8
137.13237	6.1
146.03448	2.1
147.04413	7.3
147.08115	2.5
147.11684	25.1
149.05949	3.2
149.13260	6.2
151.03894	6.3
151.11130	7.0
153.09113	5.2
159.11705	2.4
161.05957	7.7
161.09669	2.6
161.13234	10.9
162.06737	5.2
163.07544	5.7
163.14787	7.0
165.12692	3.0
175.04047	2.2
175.14783	10.4
177.05276	2.3
177.09013	2.6
177.16435	2.9
179.91656	2.0
190.06235	2.5
193.08609	3.4
193.15898	2.8
194.98283	2.4
203.10448	3.6
203.17943	34.8
206.05739	2.4
206.16235	13.1
221.04361	3.5
221.08058	6.6
221.11725	6.4
221.15689	10.6
221.19057	52.3
221.21577	2.8
221.21979	2.4
222.11295	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	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.45498	4.1
55.05297	4.0
55.05512	39.8
56.96561	8.7
57.07077	19.4
59.05000	5.9
67.05499	51.4
69.03426	6.6
69.07064	60.6
71.04978	14.4
73.71670	3.5
79.05500	32.6
81.03371	3.8
81.07051	94.5
83.04974	31.9
83.08624	27.4
85.06542	6.0
91.05466	27.8
93.07046	50.6
94.06543	3.6
95.04949	5.0
95.08601	100.0
97.06502	5.3
97.10150	10.6
97.75823	3.3
98.20753	11.0
99.08077	7.1
103.05451	12.0
105.07021	70.3
107.04888	4.3
107.08589	82.4
109.06500	12.9
109.09470	6.1
109.10152	80.4
111.08095	20.0
111.11724	7.1
115.05447	8.9
115.19415	4.1
117.07048	4.1
119.08572	58.6
121.06496	19.0
121.10136	43.6
123.08097	4.6
123.11722	25.4
125.09611	15.7
131.04900	7.8
131.08601	10.6
133.06480	16.3
133.10117	41.2
134.99678	5.0
135.08031	5.0
135.11671	19.0
137.05975	8.8
137.09584	11.3
137.13199	5.9
139.11186	9.6
145.10130	6.0
147.11684	65.4
149.13257	7.4
151.03886	6.3
151.11166	9.8
151.14825	5.6
153.09041	5.9
159.11639	4.7
161.05956	14.6
161.09651	7.2
161.13255	27.8
163.07510	7.1
163.14832	15.5
165.12756	10.0
175.07501	9.6
175.14810	19.2
177.16368	10.1
193.08662	6.2
193.15883	5.8
203.17947	97.0
206.16165	18.4
221.04395	5.6
221.08095	10.8
221.11684	6.4
221.15378	14.9
221.19051	61.5
222.11278	13.2
227.96936	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	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03935	3.6
55.01897	2.1
55.05504	16.5
56.96554	8.1
57.07057	8.3
59.40311	1.8
67.05502	22.9
69.03439	2.1
69.07063	14.5
70.78874	7.2
71.04982	11.9
76.30367	1.9
79.05494	21.7
81.07052	58.4
82.07375	3.3
82.52544	2.3
83.04979	5.2
83.08619	9.4
91.05459	18.9
93.07038	43.2
95.04935	4.7
95.08601	38.3
96.08945	2.8
97.06561	3.3
97.10133	4.6
98.97605	4.7
99.08070	4.7
103.05450	8.7
105.06385	3.4
105.07026	35.5
107.04951	6.2
107.08585	64.3
109.06519	7.9
109.10138	29.6
110.10384	2.0
111.08066	10.8
111.82764	2.0
113.09682	2.1
115.05435	3.7
116.93985	2.1
116.98598	5.5
117.07047	2.3
119.04951	2.8
119.08566	45.6
121.06500	8.7
121.10131	16.1
123.08042	7.6
123.11678	20.3
125.09588	2.5
127.11179	3.6
129.06982	2.9
131.04915	9.5
131.08595	2.8
132.05588	2.4
133.06473	8.0
133.10133	31.1
134.99611	6.2
135.08095	4.3
135.11690	100.0
137.05965	8.7
137.09608	8.8
137.13237	6.1
146.03448	2.1
147.04413	7.3
147.08115	2.5
147.11684	25.1
149.05949	3.2
149.13260	6.2
151.03894	6.3
151.11130	7.0
153.09113	5.2
159.11705	2.4
161.05957	7.7
161.09669	2.6
161.13234	10.9
162.06737	5.2
163.07544	5.7
163.14787	7.0
165.12692	3.0
175.04047	2.2
175.14783	10.4
177.05276	2.3
177.09013	2.6
177.16435	2.9
179.91656	2.0
190.06235	2.5
193.08609	3.4
193.15898	2.8
194.98283	2.4
203.10448	3.6
203.17943	34.8
206.05739	2.4
206.16235	13.1
221.04361	3.5
221.08058	6.6
221.11725	6.4
221.15689	10.6
221.19057	52.3
221.21577	2.8
221.21979	2.4
222.11295	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	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03928	3.2
55.05510	21.1
56.96556	4.2
57.07065	11.7
65.03936	3.4
67.05218	3.0
67.05509	27.6
68.79326	2.5
68.92686	2.4
69.03388	3.4
69.07071	24.8
71.04993	31.8
71.08627	2.8
79.05497	23.5
81.03405	3.0
81.07057	77.5
82.34593	2.4
83.04998	14.7
83.05458	2.4
83.08611	8.3
85.06516	6.5
91.05450	27.4
93.07041	51.5
95.04963	9.2
95.08608	50.5
97.06491	4.1
98.21601	4.8
99.08054	3.9
103.05447	4.4
105.07027	48.9
107.08597	70.6
109.06508	6.9
109.10152	33.5
111.08057	15.5
115.05438	5.4
117.07008	7.3
117.24231	2.7
119.01953	3.3
119.04919	3.8
119.08582	60.0
120.08921	3.2
121.06502	16.0
121.10153	21.8
123.04446	3.8
123.08068	7.4
123.11701	24.0
125.09560	3.6
126.31689	2.8
127.11246	5.0
129.07013	2.9
131.04942	6.2
131.08562	5.9
133.06480	8.6
133.10121	35.1
135.08113	6.1
135.11693	100.0
137.05942	4.5
137.09593	13.6
137.13301	9.3
139.11249	3.1
142.07765	2.9
145.10022	2.8
147.04404	9.5
147.08040	3.8
147.11685	38.4
149.13240	12.1
151.03889	17.6
151.11168	8.2
153.09146	3.6
159.11717	2.8
160.05188	4.8
161.05952	13.4
161.09569	3.9
161.13289	27.9
163.04063	2.9
163.07433	3.0
163.11136	3.1
163.14792	8.2
165.05504	5.2
165.09122	6.7
168.39018	2.7
175.08759	4.3
175.11119	5.1
175.14804	12.4
177.09190	6.0
179.03554	3.0
188.04755	3.0
191.07047	4.1
193.08583	5.5
193.15794	13.7
203.03310	3.2
203.06914	5.0
203.14355	5.3
203.17970	41.2
205.14853	3.9
206.16177	16.0
221.04414	10.9
221.07976	10.7
221.11711	11.2
221.15558	21.4
221.19064	55.7
221.21976	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	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.12726	1.9
53.03924	3.5
55.01850	2.5
55.05305	1.6
55.05513	19.5
56.96573	2.3
57.03415	3.9
57.07064	7.4
59.04986	3.6
65.03940	2.8
67.05506	28.0
69.03426	5.3
69.07069	32.5
70.63246	5.8
71.04646	2.5
71.04996	29.6
77.25958	2.0
79.05055	2.9
79.05489	32.8
81.03406	2.2
81.07057	100.0
83.04961	5.8
83.08626	10.9
85.06528	2.5
91.05478	25.2
93.07042	51.6
95.04958	8.8
95.08607	56.0
97.02893	2.1
97.06516	7.6
97.10174	5.3
98.97565	2.7
99.08112	4.1
102.04689	6.4
103.05458	6.9
104.06268	3.9
105.07031	51.9
106.83534	1.7
107.04962	10.3
107.08599	54.7
109.06489	9.0
109.09456	3.1
109.10159	40.6
111.08064	10.0
111.11704	4.1
113.09589	2.7
115.05442	4.8
117.06988	4.2
118.04132	3.8
119.04954	9.0
119.08583	54.9
121.06515	8.5
121.10138	22.1
123.08064	6.9
123.11703	21.0
125.09611	5.5
126.04508	1.7
127.11162	4.4
129.07034	3.0
130.04131	5.0
131.04918	8.9
131.08589	3.3
132.05711	12.2
132.12057	1.9
133.02834	1.9
133.06499	12.3
133.10117	29.0
135.04402	12.7
135.08061	4.6
135.10681	3.8
135.11687	64.9
137.05949	3.2
137.09586	7.8
137.13260	4.3
139.11166	2.8
143.04930	3.1
145.10109	3.1
147.04413	26.9
147.08035	3.3
147.11687	33.1
149.05971	4.9
149.13237	15.0
151.03891	2.5
151.07605	2.7
151.11182	6.7
153.09128	1.7
158.99643	1.9
159.11696	2.1
160.05199	10.7
160.97321	1.8
161.02281	2.3
161.05995	20.1
161.09593	3.9
161.13254	19.5
162.06769	14.4
163.03896	24.5
163.07561	5.1
163.11230	1.9
163.14832	6.7
165.01831	4.9
165.05495	2.4
165.08922	1.9
165.12848	2.4
175.03931	10.8
175.07520	4.8
175.11151	2.7
175.14777	9.1
176.04721	3.4
177.00616	1.8
177.05492	7.4
177.16356	4.1
178.06311	15.1
178.07712	3.4
185.13251	3.5
188.04637	8.3
189.05473	7.3
190.06252	34.9
191.03386	16.3
191.07063	3.8
193.08597	26.6
193.15903	2.7
203.07138	1.8
203.14352	3.1
203.17950	44.2
205.05099	1.9
205.15079	2.4
206.05736	26.4
206.10985	2.5
206.16225	9.3
221.08081	69.0
221.11542	3.7
221.15694	10.9
221.19061	67.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.16281	3.9
51.94520	3.9
53.03938	7.5
55.05508	36.9
56.96568	15.7
57.07059	13.8
59.05003	4.9
67.05511	37.6
68.53426	3.9
69.03433	4.5
69.07068	29.0
71.04987	17.5
71.58611	6.3
79.05490	39.9
81.07051	100.0
82.07380	5.5
83.04987	13.9
83.08203	3.6
83.08625	20.3
91.05469	33.4
93.07046	71.8
95.04969	13.5
95.08603	62.0
97.06541	7.1
97.10195	4.7
98.97588	12.9
103.05483	6.4
105.07026	46.3
107.04939	6.1
107.08588	82.8
109.06501	12.0
109.10165	57.2
111.08083	18.3
116.98606	14.0
119.04930	15.1
119.08578	52.7
121.06530	8.1
121.10132	23.1
123.08097	8.5
123.11713	31.1
130.04195	6.0
131.04933	7.2
132.05618	5.8
133.06459	4.8
133.10107	32.7
134.99648	12.3
135.04431	8.7
135.08063	5.1
135.11681	94.1
136.12097	4.7
137.05945	5.7
137.09627	11.0
137.13199	7.8
145.10144	6.1
146.10367	4.4
147.04424	25.6
147.08022	6.5
147.11693	34.6
149.02345	4.1
149.06055	5.5
149.13248	6.0
151.11172	9.4
160.05264	5.0
161.06000	8.4
161.13281	21.3
162.06761	14.6
163.03931	32.0
163.14845	5.7
165.09125	5.5
165.12769	10.2
175.03992	12.2
175.11263	5.6
175.14821	13.0
177.00745	9.1
177.05505	8.6
177.16391	5.4
178.06252	17.6
188.04646	7.9
190.06277	40.8
191.03380	17.8
193.08650	20.9
193.15732	4.8
195.82825	4.2
203.14290	5.4
203.17946	39.2
206.05751	33.1
206.10915	6.7
206.16190	26.9
221.08089	57.7
221.11632	13.5
221.13593	4.5
221.15443	9.8
221.19040	68.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1536
Annotation	ar-Bisabol-9-en-7,11-diol
Peak:m/z	Relative Intensity
50.80984	0.8
53.03955	4.8
55.01874	1.3
55.05513	13.4
56.96558	3.0
57.07061	2.3
65.03941	2.4
67.05503	18.4
69.07068	14.3
69.39526	10.4
71.04982	4.7
72.92142	0.9
73.06551	1.8
77.03956	1.3
78.04728	1.0
79.05495	72.6
80.05821	1.6
81.07059	45.2
83.04987	2.7
83.08621	5.5
85.02905	1.5
85.06533	3.8
90.22280	1.0
91.05485	47.3
92.05793	1.0
93.07045	100.0
94.07386	2.2
95.04971	15.2
95.08602	20.8
97.06532	2.5
99.08109	1.0
101.06009	1.5
103.05508	1.6
105.04514	2.5
105.07033	39.2
107.05030	1.3
107.08597	82.7
108.08926	1.6
109.06517	6.5
109.10170	3.2
111.08105	1.7
117.07006	5.7
119.08584	40.9
121.06498	4.5
121.10144	20.3
121.11004	1.0
123.08080	6.0
127.07545	1.0
128.06230	1.7
129.07002	5.6
131.08571	8.3
133.06502	1.3
133.10147	13.9
135.08025	3.3
135.11696	2.0
137.09636	2.0
139.07550	1.4
142.07773	1.2
143.08557	10.8
145.10149	2.0
145.98863	1.0
147.04472	1.1
147.08043	3.3
147.11667	5.3
153.09068	1.8
157.10133	5.0
159.11690	9.4
161.09601	6.2
161.13257	39.6
162.13614	1.2
165.09082	3.7
175.02742	1.6
175.11230	8.4
175.14822	7.2
183.28819	1.1
185.13266	22.3
193.03755	1.8
203.14304	12.0
206.16208	3.0
217.07420	1.4
221.08138	2.2
221.11984	1.2
221.15395	25.0
221.18140	3.2
234.95236	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1172
Annotation	Precocene II
Peak:m/z	Relative Intensity
53.03969	0.9
55.05547	3.2
56.96601	2.0
57.07104	1.6
61.88150	0.6
62.86188	0.6
67.05514	6.0
69.03449	1.1
69.07070	37.0
70.25097	3.9
71.05024	1.7
77.03949	1.4
79.05489	7.9
80.05886	0.7
81.03452	0.6
81.07058	9.4
83.05019	1.5
83.08649	1.0
83.48199	0.6
85.02939	1.2
85.06586	0.9
91.05471	8.1
93.07052	6.8
94.04256	0.7
95.04939	3.7
95.08605	9.3
97.06558	1.4
102.04735	2.0
103.05518	1.1
104.06291	1.2
105.03405	5.0
105.07016	9.5
107.04969	4.0
107.08590	7.0
109.06515	6.9
109.10168	5.3
111.08080	3.2
115.05502	1.5
117.07043	1.1
119.04970	4.2
119.08578	7.2
119.09235	0.7
121.02898	1.5
121.06529	5.2
121.10138	4.5
123.04448	2.5
123.08086	2.1
123.11731	1.9
123.27380	0.6
125.09683	0.7
130.04144	1.5
131.04951	3.2
132.05728	2.3
133.02852	8.2
133.06531	2.5
133.10129	4.8
135.04413	10.8
135.08051	1.5
135.11687	2.1
137.05968	5.0
137.09576	1.5
139.03922	2.6
145.02890	0.8
145.10144	0.7
147.04420	9.7
147.08124	1.2
147.11691	4.0
148.05145	1.3
149.06010	1.1
149.13290	1.4
151.03928	3.2
153.05466	6.4
153.09105	0.9
160.05196	2.7
161.05974	3.6
161.09619	1.9
161.13284	4.0
162.06729	4.0
163.03915	7.0
163.07523	1.5
163.11148	1.2
163.14809	1.2
165.05476	100.0
166.05800	1.3
170.80548	0.7
175.03915	3.0
175.07570	1.7
175.14838	2.0
176.04684	1.3
177.05452	2.1
178.06253	4.4
179.06920	1.3
179.10533	0.9
188.04637	2.7
189.05501	1.3
189.09103	14.5
190.06244	10.5
191.03391	6.5
191.06905	1.1
193.08699	6.7
203.14297	1.4
203.17915	3.1
206.05707	8.0
206.16170	2.8
221.08293	17.7
221.11665	24.9
221.14972	4.2
221.19064	5.2
222.08276	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1172
Annotation	Precocene II
Peak:m/z	Relative Intensity
53.00297	0.8
53.03929	1.5
55.05515	5.7
56.96561	1.7
57.03428	1.1
57.07055	2.7
59.04985	1.1
65.03925	1.4
67.05502	10.5
69.03420	1.4
69.07066	51.0
69.48713	2.8
69.49127	5.5
71.04980	3.2
77.03924	2.1
78.04697	1.8
79.05494	12.2
81.07056	17.8
83.04965	3.0
83.08604	2.1
85.02892	1.9
85.06515	1.2
91.05474	15.6
93.07039	10.1
95.04967	6.9
95.08609	14.3
97.06530	1.4
97.10172	1.2
102.04665	3.4
103.05474	7.4
104.06225	2.9
105.03407	7.0
105.07030	33.6
107.04951	7.2
107.08578	12.0
109.06511	7.5
109.10149	9.5
111.08072	3.9
115.05457	4.0
116.98623	1.7
117.07042	1.6
118.04137	1.3
119.04947	7.2
119.08577	13.0
121.02848	4.0
121.06508	7.1
121.10132	7.3
123.04404	1.2
123.08036	2.9
123.11714	5.6
125.09614	2.0
129.06970	1.8
130.04158	2.9
130.06519	1.5
131.04926	8.3
131.08546	1.6
132.05684	5.5
133.02852	11.7
133.06490	7.5
133.10130	9.2
134.99652	1.0
135.04411	13.4
135.08035	2.8
135.11708	6.7
137.05991	7.6
137.09613	4.1
137.13333	1.3
143.08501	1.3
145.10062	2.5
146.03656	1.9
147.04401	17.9
147.08005	2.3
147.11697	8.4
148.05205	1.6
148.07559	8.6
149.05971	3.2
149.13239	2.3
151.03900	4.8
151.07550	1.4
151.11113	1.5
153.05473	7.2
156.93556	1.0
157.06505	0.9
159.11694	1.4
160.05142	6.6
161.05968	9.0
161.09607	3.0
161.13245	6.3
162.06746	7.7
163.03906	17.0
163.07521	2.1
163.11230	1.2
163.14822	2.2
165.05473	100.0
165.12790	1.7
166.05780	1.4
175.03917	5.4
175.07475	2.6
175.11244	0.9
175.14819	4.3
176.04593	2.2
177.05463	4.6
177.12686	2.5
177.16385	1.6
178.06232	9.5
179.07057	1.2
179.10680	2.3
188.04680	5.0
189.05466	3.2
189.09103	15.2
190.06233	20.2
191.03352	10.0
191.06932	1.7
193.08594	19.7
193.15839	1.7
194.08968	1.1
203.06915	2.2
203.10706	1.7
203.14301	2.5
203.17938	7.8
204.13689	1.1
205.04930	1.9
206.05759	18.5
206.11002	1.5
206.16194	5.7
221.04564	2.2
221.08075	37.4
221.11601	18.1
221.15256	8.0
221.18958	8.5
222.11247	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0921
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
55.05482	2.0
56.96553	1.4
57.03423	0.8
57.07071	1.1
64.27372	0.6
67.05492	1.7
67.45432	0.7
67.74675	0.7
69.03414	0.9
69.07048	1.8
70.07382	0.8
70.25250	1.6
70.25640	1.6
74.02431	1.2
74.06068	1.4
75.06393	0.8
79.05479	0.8
81.07040	2.5
82.02925	2.8
82.06590	4.7
83.06898	3.8
83.08625	1.0
84.05300	1.5
85.02880	0.8
91.05466	1.5
94.06563	6.9
95.06895	2.3
95.08610	1.2
98.20878	0.7
98.97599	1.4
103.05459	2.0
104.04997	1.2
105.07008	1.2
107.08594	1.3
109.10157	1.6
111.08090	3.4
116.98622	1.2
119.08612	1.6
120.08120	1.3
121.06490	2.2
125.11570	2.2
129.09137	1.2
130.06525	65.5
130.09447	2.7
131.04922	2.8
131.06766	1.3
132.04446	45.1
133.10103	1.7
135.08038	0.9
137.05971	1.0
137.09596	0.7
147.08076	0.7
147.09178	1.1
148.07573	3.1
152.10678	0.9
153.09103	0.8
153.11087	6.1
155.04605	4.9
156.06860	1.0
157.07608	28.8
157.99237	0.7
158.06010	82.2
159.06384	1.4
159.16315	0.7
160.31972	0.8
161.05939	1.2
163.07547	1.6
164.05196	1.6
164.55406	0.7
165.05544	0.7
171.12079	1.0
175.08670	100.0
176.07082	2.2
176.09033	2.1
185.13817	0.8
186.05519	2.0
191.08923	0.7
193.15811	1.1
203.08199	6.9
203.14645	1.2
204.06500	4.6
206.16240	1.2
221.04280	0.8
221.09207	16.5
221.15579	3.0
221.18237	1.2
222.11270	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.5
55.01861	0.6
55.25370	0.4
56.05031	1.1
56.96560	0.8
57.03436	0.6
57.07062	0.5
61.42890	0.4
61.68453	0.4
63.54234	0.4
67.05494	1.0
69.03390	0.4
69.07075	0.9
70.06583	1.2
71.57078	0.5
72.04543	0.5
72.08136	0.9
73.02920	0.6
74.02435	1.5
74.06062	0.6
79.05474	0.7
81.03461	0.6
81.07064	1.2
82.02940	2.0
82.06572	0.8
83.04964	0.5
83.08641	1.2
84.04494	0.8
84.08110	1.2
85.02901	1.1
86.09715	0.5
88.03984	0.5
90.05508	1.2
91.05430	0.5
91.05920	0.6
93.07059	1.0
94.06569	4.4
95.04970	1.1
95.08590	1.0
98.97602	0.6
103.05484	1.2
104.04999	0.8
105.07030	0.8
107.08591	0.9
109.06519	0.4
109.10124	0.9
110.07192	0.9
111.08081	2.0
112.07624	1.1
115.05450	1.4
116.98584	0.7
119.08603	1.0
120.08087	0.7
121.01667	0.8
121.06531	3.7
130.06520	70.2
131.01917	0.5
131.06863	1.3
132.04448	42.7
133.03384	0.4
133.04796	0.6
133.10088	1.0
134.06001	0.7
134.09634	0.5
136.07559	0.7
137.01958	0.4
137.05991	1.3
137.09558	0.7
146.05922	0.8
147.09167	1.0
148.07556	3.7
153.09064	0.7
156.06795	0.6
156.97487	0.9
157.07600	30.1
158.06009	89.9
159.06374	1.9
160.07605	0.7
162.09200	0.8
165.09122	0.6
172.08250	0.9
174.48395	0.5
174.98521	1.8
175.08664	100.0
176.07065	2.6
176.08978	2.3
186.05453	2.5
190.09230	1.5
193.15962	0.9
203.08162	3.9
203.11110	0.7
204.06593	3.9
204.08350	0.8
206.16273	0.8
216.07062	0.5
216.99646	0.9
221.09224	14.2
221.12764	1.4
221.15356	1.2
221.18155	0.8
222.09673	0.7
239.09441	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0919
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
51.29897	0.5
55.05506	0.6
71.37945	1.2
74.02435	0.7
75.54088	0.4
79.05489	0.6
81.07029	1.0
82.02927	1.6
94.06557	3.4
96.65299	0.6
100.92773	0.6
103.05448	1.3
104.04962	1.2
106.06527	1.2
109.17773	0.5
111.08035	0.8
112.16917	0.5
115.05439	2.1
120.08093	1.8
121.06503	0.8
130.06520	50.9
131.04959	1.3
131.06837	1.2
132.04446	34.5
132.08116	1.2
133.05029	0.7
134.06015	7.8
146.05986	3.0
147.06361	3.5
147.09187	0.9
148.07535	4.9
156.06856	1.0
157.07605	19.7
158.06003	66.0
159.06482	2.2
160.07593	4.1
162.05489	16.6
165.99164	0.6
175.08662	100.0
176.07195	2.6
176.08936	3.0
186.05495	6.2
187.05653	0.6
203.08122	0.9
204.06549	20.5
206.16261	0.7
221.09215	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	221.0808
Annotation	Polygonolide
Peak:m/z	Relative Intensity
51.68447	1.1
55.01847	1.3
55.05509	7.1
56.02203	1.1
56.05017	1.2
57.07063	2.9
65.03923	2.3
66.04708	1.4
66.90928	1.0
67.05507	8.7
67.05810	1.8
69.03415	2.9
69.07050	4.0
71.04990	2.2
71.58366	1.3
77.03925	1.2
78.04704	5.4
79.05140	1.0
79.05497	11.7
81.07047	7.3
83.04949	2.3
83.08591	3.1
85.02922	1.2
89.03919	1.8
90.04732	1.4
91.05481	18.7
92.02628	1.2
92.05798	1.3
93.07036	6.2
95.04967	7.1
95.08607	6.1
95.34382	1.2
97.06521	1.5
102.04686	12.8
103.05463	8.3
104.06261	6.0
105.03405	2.3
105.07030	13.2
107.04955	14.4
107.08643	5.9
109.06493	4.3
109.10152	6.0
111.08073	4.2
115.05448	3.1
117.03359	2.7
117.07031	2.4
118.04190	6.6
119.04947	21.3
119.08578	7.1
121.02870	3.9
121.06499	8.5
121.10126	4.8
122.07244	2.2
123.04468	1.7
123.08004	2.1
123.11688	3.4
129.07063	2.1
130.04149	12.0
130.06519	3.4
131.04932	12.3
131.08658	1.2
132.02101	1.8
132.04488	2.5
132.05685	11.0
133.02831	5.2
133.06537	7.4
133.10126	5.7
134.03645	1.7
135.04417	22.0
135.08052	2.8
135.11667	2.4
137.05956	2.1
137.09604	3.2
143.04921	1.7
143.08549	3.0
145.02846	3.0
145.06522	1.5
145.10150	1.2
146.03610	2.6
147.04414	50.9
147.08035	2.0
147.11710	2.5
148.05135	4.6
149.02347	43.6
149.05959	11.5
150.06747	3.8
151.07500	1.5
153.09155	2.0
157.07634	2.3
158.05998	5.9
159.04407	3.3
160.05193	12.6
161.02312	1.4
161.05980	14.6
161.09595	2.7
161.13239	4.1
162.06766	37.0
162.08118	2.1
163.03905	54.4
163.07532	6.3
163.11227	2.0
164.04266	1.6
165.09077	2.4
173.02280	1.3
174.03122	2.3
175.03914	23.9
175.07475	3.0
175.08733	4.5
175.14819	3.7
176.04718	9.0
177.05467	10.9
178.04768	2.3
178.06250	34.2
179.06932	2.3
179.10724	1.6
179.14220	2.7
187.03883	1.6
188.04652	8.1
189.05515	9.5
190.06248	82.7
191.03398	28.2
191.06912	6.2
192.04044	2.1
192.99492	1.9
193.08601	53.0
193.15858	1.7
194.08987	1.4
203.07036	2.4
203.10670	3.3
203.14296	2.2
203.17818	2.2
205.04944	2.5
206.05751	42.4
206.16167	5.0
221.08083	100.0
221.11664	4.5
221.15352	7.3
221.18681	2.1
222.08397	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	221.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61005	0.2
55.01874	0.3
55.05508	0.8
57.07059	0.3
64.19859	0.2
64.31518	0.2
67.01859	0.3
67.05504	1.1
68.99792	0.4
69.03435	0.2
69.07063	0.8
69.66618	0.2
70.14661	0.9
71.05007	0.3
79.05492	1.3
81.07057	2.6
83.04974	0.4
85.06535	0.3
91.05481	1.5
93.07021	1.2
95.04953	0.7
95.08614	1.6
97.06549	0.3
98.21414	0.2
98.28255	0.2
103.05463	0.2
105.07015	1.6
107.04944	0.5
107.08582	1.2
109.06516	0.7
109.10141	1.1
111.08069	0.5
115.05451	0.3
117.07046	0.2
119.04941	0.6
119.08569	2.1
121.06513	0.5
121.10157	0.9
123.04430	0.7
123.08055	0.6
123.11671	0.3
128.06203	0.2
129.06999	0.4
131.04964	0.7
131.08588	0.3
132.05663	0.3
133.06502	0.6
133.10117	1.0
135.04361	0.3
135.11676	0.6
137.05965	0.6
137.09637	0.3
137.90526	0.2
139.03873	0.3
145.10081	0.4
147.04391	1.2
147.08026	0.5
147.11699	0.8
149.02325	0.3
149.05988	0.3
151.03868	0.4
151.07510	0.3
153.01816	0.9
160.05240	0.3
161.05977	0.9
161.09598	0.3
161.13284	1.3
162.06734	0.7
163.03918	0.8
163.07527	0.3
163.11189	0.6
165.01817	1.4
165.05537	0.2
165.09155	0.4
175.03944	0.4
175.07561	0.5
175.11130	0.3
175.14822	0.8
177.05470	0.5
178.02599	0.4
178.06192	0.5
179.03369	1.4
179.07074	0.4
188.04720	0.4
189.05429	0.3
190.06250	0.7
191.03401	0.4
192.04277	1.0
193.08624	0.9
193.15965	0.2
203.07027	0.4
203.10664	0.6
203.14349	0.4
203.17938	0.5
205.04958	20.9
206.05734	25.4
206.16238	0.5
207.06091	0.6
220.09180	0.2
221.08080	100.0
221.15193	1.3
222.08426	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0807
Annotation	5,7-Dimethoxy-4-methylcoumarin
Peak:m/z	Relative Intensity
53.03931	0.1
55.01850	0.1
55.05499	0.4
56.96563	0.1
57.07055	0.2
58.36636	0.1
67.01860	0.2
67.05500	0.8
68.99777	0.3
69.03413	0.1
69.07077	0.5
69.65100	0.7
71.04974	0.4
75.84106	0.1
79.05493	0.5
81.07061	1.0
83.04932	0.1
83.08608	0.2
85.06553	0.1
88.60262	0.1
91.05461	0.7
93.07040	0.9
95.04939	0.5
95.08611	1.2
97.02892	0.1
97.06492	0.2
97.10143	0.1
103.05436	0.2
105.07033	1.2
107.04944	0.3
107.08584	1.1
109.02837	0.1
109.06478	0.5
109.10147	0.8
111.08078	0.6
115.05484	0.3
117.07034	0.1
118.21494	0.1
119.04941	0.3
119.08595	0.9
121.06476	0.3
121.10165	0.5
123.04414	0.7
123.08035	0.3
123.11691	0.4
125.09599	0.2
128.06215	0.1
129.07013	0.2
131.04889	0.2
131.08514	0.2
133.06473	0.4
133.10114	0.6
135.04431	0.1
135.08055	0.2
135.11694	1.1
137.02330	0.3
137.05957	0.3
137.09575	0.3
137.13235	0.1
143.08549	0.1
145.10121	0.1
147.04419	0.6
147.08026	0.1
147.11714	0.6
149.02185	0.1
149.05988	0.1
151.03882	0.4
151.07526	0.3
151.11165	0.1
153.01791	0.7
154.02585	0.2
160.05203	0.3
161.05957	0.6
161.09656	0.2
161.13257	0.4
162.06738	0.1
163.03909	0.5
163.14818	0.2
165.01799	0.3
165.12750	0.2
175.07530	0.3
175.14836	0.4
177.05452	0.3
178.02586	0.6
178.06252	0.3
179.03340	0.8
179.06964	0.2
188.04605	0.2
188.08368	0.1
189.05438	0.2
190.06264	0.4
191.03291	0.1
193.04988	0.1
193.08589	0.5
193.10129	0.1
203.07002	0.3
203.10637	0.1
203.17924	0.5
205.04959	23.8
206.05736	28.2
206.16196	0.2
207.06056	0.8
221.08083	100.0
221.19177	0.8
222.08427	2.8
242.00293	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	221.0808
Annotation	Polygonolide
Peak:m/z	Relative Intensity
53.03929	2.1
55.01859	2.0
55.05495	3.3
56.96545	1.3
57.07055	1.2
65.03929	1.7
65.06688	0.9
67.05508	5.9
69.03416	1.4
69.07058	2.6
69.92106	3.0
69.92538	3.6
77.03916	0.9
78.04719	5.7
79.05492	12.7
81.07043	6.2
83.02945	1.0
83.04967	1.6
83.08601	2.4
89.03916	2.7
89.41255	0.9
90.04690	1.1
91.04977	1.2
91.05479	13.4
93.07024	4.6
95.04972	8.2
95.08581	3.6
102.04682	14.3
103.05451	8.6
104.06288	5.3
105.03372	2.2
105.07027	9.4
107.04939	13.3
107.08576	3.3
109.06518	2.4
109.10159	4.9
111.04448	0.9
111.08101	1.3
111.11217	1.0
114.63316	1.1
115.05386	1.6
117.03319	2.5
118.04147	6.5
119.04935	19.7
119.08578	5.1
120.02032	1.2
120.05741	1.6
121.02779	1.1
121.06502	7.2
121.10132	3.0
122.07260	2.6
123.08036	1.7
123.11682	2.6
128.06131	1.2
130.04135	12.6
130.06477	1.3
131.04944	14.0
131.08528	1.6
132.02046	2.2
132.04446	1.4
132.05695	11.7
133.02843	4.2
133.06517	6.5
133.10092	3.6
134.03651	1.7
134.07344	1.5
135.04419	25.0
135.08023	2.4
135.11687	1.2
137.06012	1.8
137.09590	1.7
145.02850	2.0
146.03622	3.6
147.04405	48.5
147.08052	1.1
147.11681	1.7
148.05176	5.0
149.02327	11.9
149.05965	8.0
150.06699	3.6
151.03865	1.2
151.07556	1.7
159.04385	3.1
160.05199	11.8
161.02313	3.1
161.05975	14.0
161.09625	3.0
161.13269	1.5
162.03117	1.5
162.06755	37.7
163.03903	57.7
163.07532	7.5
164.04201	2.6
173.02281	1.6
174.03122	3.4
175.03897	26.0
175.07401	1.4
175.08746	1.9
176.04704	8.7
177.05464	11.2
178.06245	35.3
178.07814	1.8
179.06639	1.6
179.14308	2.4
185.13234	1.1
188.04648	10.1
189.05447	6.1
190.06238	91.9
191.03403	30.4
191.06972	6.3
192.04161	2.5
193.08595	58.1
194.08997	1.5
203.18077	1.1
205.04910	1.6
206.05739	46.9
206.16228	2.4
221.08073	100.0
221.11636	2.9
221.15341	4.8
221.17261	1.3
222.08453	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0808
Annotation	Siderin
Peak:m/z	Relative Intensity
50.44160	0.2
55.05491	1.3
56.96558	0.5
57.07070	0.7
60.91396	0.3
67.05500	1.8
69.07051	1.1
69.07404	0.3
70.13352	1.3
71.04978	0.7
79.05477	1.5
81.03396	0.3
81.07050	2.8
83.04993	0.3
83.08611	0.6
85.06519	0.3
90.83165	0.3
91.05453	1.5
93.07047	1.9
95.04934	1.2
95.08614	2.0
98.20782	0.3
98.97575	0.3
102.04660	0.5
103.05485	0.5
105.07027	2.0
107.04928	0.8
107.08584	1.3
109.02866	0.4
109.06503	0.7
109.10129	1.2
111.08054	0.9
115.05484	0.3
119.04956	0.6
119.08582	2.1
121.06506	0.8
121.10140	1.1
123.04419	0.6
123.11692	0.9
123.36704	0.3
131.04944	0.6
132.05737	0.3
133.06474	0.5
133.10109	1.4
135.04393	0.9
135.08025	0.4
135.11679	1.0
137.06001	0.5
137.09586	0.6
137.18535	0.2
145.10133	0.3
147.04369	1.1
147.11693	1.0
149.05898	0.3
151.03897	0.3
151.07472	0.4
153.01785	0.7
153.09109	0.5
157.10052	0.3
160.05217	0.6
161.05957	0.6
161.13289	0.6
162.06755	0.7
163.03951	1.8
165.01851	0.5
165.09152	0.4
175.03972	0.8
175.11244	0.4
175.14748	0.7
177.05452	0.5
178.02673	0.4
178.06247	1.0
179.03394	1.3
179.10620	0.3
188.04680	0.6
190.06261	2.2
191.03384	1.0
193.08664	1.5
203.17947	1.0
205.04956	19.9
206.05739	27.3
206.16219	3.0
207.06067	0.9
221.08080	100.0
221.15187	1.8
221.18927	1.6
222.08409	3.3
227.84576	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1695
Annotation	Fabianine
Peak:m/z	Relative Intensity
54.08096	0.3
67.05515	0.3
69.43892	2.7
73.96713	0.3
91.05475	0.4
98.21533	0.5
105.07013	0.5
118.06539	12.9
132.08095	3.7
133.06477	0.5
133.08839	1.2
134.09607	1.0
144.08092	0.4
146.09639	3.9
148.11165	0.3
152.04320	0.4
160.11168	0.7
162.09140	7.7
176.10748	4.6
176.14340	30.9
177.11499	1.6
177.14661	1.0
189.15182	0.3
190.12234	3.9
191.12793	0.4
202.15865	1.0
204.14372	0.3
205.15858	0.8
220.16948	100.0
221.17261	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	220.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.5
55.01873	0.3
55.05513	6.1
56.05051	0.3
56.25478	0.2
56.96545	0.4
57.07078	1.2
67.05506	0.5
68.05014	0.3
69.03404	0.3
69.07069	0.5
70.13321	0.7
70.13734	0.6
73.06557	14.5
79.05486	0.9
81.07067	0.7
83.04986	4.1
84.04489	0.3
90.22375	0.3
91.05478	4.9
93.07047	2.5
94.07352	0.4
95.04970	0.9
95.08596	0.3
98.06036	0.3
98.97563	0.3
103.05470	11.8
104.04989	0.4
105.03446	0.4
105.07030	1.9
106.07378	0.5
107.04968	0.3
107.08614	0.3
109.06517	0.3
115.05501	0.4
117.07018	5.8
118.06551	13.0
119.04976	0.4
119.08591	1.1
120.08107	100.0
121.06523	0.8
121.08446	1.0
121.10136	0.4
122.10472	0.6
123.08083	0.3
128.04968	2.6
128.05826	0.4
128.06264	0.2
129.07019	1.0
130.06558	0.6
131.08580	0.9
132.04440	0.5
132.08913	0.6
133.02840	3.4
133.06438	0.3
133.10104	0.6
134.10474	0.8
135.04404	0.4
142.05008	0.3
142.07806	0.4
144.08118	0.3
145.09035	0.3
145.10114	1.0
146.06009	11.9
146.09615	0.4
147.04422	0.7
149.09616	0.4
157.10107	0.8
158.06021	0.7
159.11697	1.8
160.12056	0.3
161.06021	0.4
161.09619	0.4
161.13174	0.3
162.06764	0.7
162.13596	0.5
163.03938	0.5
164.07092	0.5
174.12770	4.8
175.03917	0.5
175.07253	0.3
175.08620	0.6
176.06996	2.3
176.15152	0.3
177.05441	1.3
177.12770	1.0
178.06219	0.3
190.06296	0.9
190.09401	0.5
191.03371	0.3
192.10097	0.3
193.08606	0.7
202.09038	0.4
202.12245	1.3
203.06927	0.3
203.14233	0.3
204.14670	3.2
205.15878	7.5
206.05763	0.6
220.09691	4.6
220.13219	2.7
220.17812	11.0
221.08022	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.0
55.05502	5.2
56.05026	2.6
56.96563	14.2
57.03433	10.9
57.07072	1.3
58.06595	1.1
59.04992	3.9
60.04525	1.0
61.02919	8.6
65.03949	1.3
67.04243	2.3
67.05497	3.7
68.05030	1.3
69.03430	4.9
69.07066	14.3
70.06589	5.8
71.02946	2.8
71.04990	7.9
72.08134	1.5
73.02923	5.5
74.06079	31.6
79.05485	3.7
80.05011	4.4
81.03422	1.7
81.05783	2.6
82.06577	100.0
83.04979	18.3
83.06925	1.4
84.04485	1.7
84.08143	1.3
84.96033	1.0
85.02898	5.0
85.06536	1.9
88.07630	14.8
91.00336	0.9
91.02346	1.1
91.05480	1.7
93.07040	2.1
94.06565	81.8
95.04974	1.7
95.06847	1.3
95.07361	8.1
96.04500	1.4
96.08131	9.9
97.02346	1.0
97.02892	5.6
97.06525	21.5
98.01308	1.5
98.06052	1.6
98.20984	0.9
98.97588	8.2
99.04466	1.3
100.02886	1.0
100.99124	1.2
105.06999	1.3
107.07355	1.3
107.08583	3.3
108.08114	2.3
110.06066	2.7
110.09676	3.1
110.97569	1.4
111.06852	1.0
112.07601	2.2
114.09155	2.3
115.00792	1.0
115.07548	1.9
116.98587	6.1
119.01839	3.9
122.09666	7.6
123.91729	0.9
124.02817	1.1
124.07619	1.0
124.11221	36.3
126.09165	1.3
127.03937	2.4
128.02292	1.9
128.98608	2.4
129.09114	31.8
131.00165	1.8
133.01721	1.9
133.03496	1.1
134.02202	1.2
134.09644	12.0
134.99678	2.6
135.03191	1.2
137.08322	1.8
141.03105	1.0
142.12219	2.1
143.00130	1.7
144.42276	1.0
145.01726	1.4
146.99696	2.5
148.03874	4.0
149.01176	1.4
151.02782	1.2
152.10698	99.5
153.11021	1.8
156.13869	1.2
157.04413	2.6
158.99686	1.9
161.01215	2.0
163.02840	3.1
163.04454	2.8
165.00768	2.1
166.12279	3.4
169.04562	1.3
170.11766	18.8
173.01248	1.6
177.00748	1.7
178.04948	1.1
184.09686	1.1
184.13367	5.4
188.12827	3.9
197.04211	1.5
202.14381	9.9
204.14655	1.2
205.15942	1.7
213.00673	0.9
219.01845	1.5
220.12103	1.0
220.15469	21.5
220.17775	2.7
237.02817	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80943	0.4
55.05509	6.8
56.96556	0.8
57.07069	1.5
59.04896	0.3
65.03925	0.4
67.05482	0.8
67.91963	0.4
69.03414	0.5
69.07082	0.4
70.84396	1.1
73.06554	11.9
79.05495	1.1
81.07046	0.9
82.07377	0.4
83.04510	0.5
83.04980	3.4
84.04460	0.6
88.31193	0.4
90.15891	0.3
91.05470	5.5
92.05810	0.7
93.07045	3.1
95.04971	0.9
95.08559	0.4
97.02898	0.4
98.97562	0.5
103.04795	0.9
103.05462	10.8
104.04958	0.4
105.07027	3.2
106.07343	0.8
107.04948	1.0
107.08599	0.8
108.08901	0.5
109.06492	0.4
115.05445	0.7
116.98637	0.7
117.07025	4.1
118.06541	11.5
118.99921	0.4
119.08562	1.1
120.08099	100.0
121.06490	0.9
121.08424	1.4
122.10477	0.6
128.04980	2.4
128.06035	0.4
129.06996	1.4
130.06514	1.4
130.07382	0.4
131.04973	0.6
131.08594	0.8
132.04471	0.6
132.08904	0.8
133.06442	0.4
133.10150	0.8
134.10411	0.9
134.99620	0.7
137.05975	1.2
142.07666	0.3
145.10117	1.3
146.04816	0.6
146.05997	11.6
146.09587	1.1
146.99660	0.6
147.04405	0.6
157.10126	0.9
158.06001	1.1
159.07768	0.7
159.11708	1.7
160.05199	0.4
161.05908	0.6
161.09653	0.4
162.13647	0.4
174.09087	0.8
174.12743	4.6
175.07336	1.0
175.08685	0.9
176.15108	0.5
177.12749	1.6
190.09398	1.3
197.01147	0.4
202.12221	2.1
203.14192	0.4
204.14624	4.9
205.15862	9.0
220.10178	1.1
220.13261	2.6
220.17787	14.1
221.08105	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1193
Annotation	trans-Zeatin
Peak:m/z	Relative Intensity
52.45679	0.7
55.01872	0.9
55.05507	1.0
56.05013	1.1
56.96550	2.2
57.07062	5.5
66.24361	0.7
67.05489	2.8
68.05040	0.7
69.07056	1.4
70.48125	1.6
72.99187	0.7
79.05481	1.8
81.07061	1.9
82.01109	0.7
82.06580	0.8
84.08165	1.7
90.05520	1.3
90.66526	0.7
91.05453	1.9
93.07016	1.4
95.04945	0.9
97.02908	1.4
98.97578	1.3
103.05439	0.8
104.68898	0.8
105.03402	1.2
105.07026	2.7
106.07346	1.6
111.08070	1.1
118.07369	0.8
119.03500	2.0
119.04967	1.2
119.08567	2.7
120.08880	1.2
121.06508	4.5
121.10112	1.1
122.10464	1.2
124.39228	0.7
131.08522	0.8
133.10217	1.8
134.10445	1.4
135.06693	0.8
135.07994	1.1
136.06181	100.0
137.04582	3.7
137.05853	1.0
145.10152	5.8
146.10451	0.9
148.06184	12.5
158.05949	1.3
159.06563	1.0
161.06006	1.1
161.09654	1.0
162.09950	0.8
162.13487	0.8
164.10626	0.8
177.12743	5.5
179.09280	0.8
185.08241	4.5
195.28467	0.9
197.02972	2.3
202.10861	13.1
203.14333	0.9
204.14655	12.4
205.15877	33.6
220.07414	0.8
220.09689	2.4
220.11922	28.1
220.17799	39.9
234.74918	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.118
Annotation	Pantothenate
Peak:m/z	Relative Intensity
53.03945	0.9
55.01863	1.6
55.05490	2.0
56.96546	2.8
57.07074	10.1
59.04990	5.5
67.05495	8.5
69.03429	1.2
69.07069	6.6
70.02953	8.0
70.06559	1.2
70.36707	3.4
72.02735	0.7
72.04514	15.7
72.08142	1.6
73.02915	5.9
74.02431	1.7
74.43979	0.7
75.04462	0.7
79.05473	2.0
81.07035	3.1
83.04983	1.3
83.72627	0.8
84.04495	1.6
84.96011	0.8
85.02929	1.1
85.06539	10.4
86.06058	0.9
86.09692	2.2
87.04455	2.6
87.08086	2.7
90.05553	100.0
91.05464	2.3
93.07014	1.2
94.06583	0.8
94.07396	0.9
95.04967	8.2
96.08121	2.3
97.02864	1.9
98.02409	10.4
98.06026	2.5
98.97556	1.5
100.03957	3.3
103.07583	8.1
105.07021	1.8
113.05994	3.3
116.03454	19.0
116.98597	1.2
119.08536	2.4
120.08898	1.4
121.06516	3.8
121.10118	1.0
122.10472	1.3
123.04459	0.7
124.07586	20.7
128.04990	1.2
128.98515	1.0
130.06535	8.3
131.06993	1.5
131.08530	1.9
132.04472	5.4
133.10101	1.6
134.05997	1.4
134.10400	1.5
134.99634	1.2
140.04608	0.9
140.10687	1.7
142.08635	9.1
145.10081	3.6
146.05998	14.5
146.99626	0.8
147.04381	1.0
147.06435	1.5
148.07614	1.0
157.07561	2.0
158.06010	8.7
158.11777	9.3
159.08043	1.4
160.09676	2.3
161.05989	1.3
162.05437	1.6
162.09938	1.2
162.13611	1.6
164.10587	0.8
166.08606	2.3
174.11282	1.2
175.08681	10.2
176.07059	0.8
177.12758	3.7
178.10788	0.8
181.04939	2.6
184.08144	1.6
184.09694	19.9
189.12621	0.9
192.06555	1.2
202.10742	25.8
204.06604	1.5
204.14624	11.0
205.15866	31.6
220.06003	1.8
220.09795	1.4
220.11795	20.5
220.17801	39.8
221.09232	1.3
221.18083	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.118
Annotation	Pantothenate
Peak:m/z	Relative Intensity
55.01863	2.4
55.05497	4.0
56.01377	1.3
56.05018	1.2
56.96545	1.6
57.03414	1.0
57.07073	11.3
58.20217	1.1
59.05001	5.6
60.04526	1.6
61.02913	1.2
65.03934	0.9
67.05504	7.4
68.05035	1.3
69.03409	2.6
69.07056	8.3
70.02958	7.6
70.06567	2.9
70.79700	2.9
71.01351	1.5
71.04965	1.6
72.04517	16.0
72.08156	8.1
73.02923	6.3
74.02422	2.1
74.06077	0.8
75.04468	2.0
76.04812	1.2
79.05470	2.9
81.07041	4.4
82.06569	1.2
83.04974	1.8
84.04486	2.3
84.08131	1.3
85.06544	12.7
86.06069	5.3
86.09687	1.7
87.04456	12.3
87.08104	2.2
88.03971	1.0
88.04804	1.0
90.05555	100.0
91.05425	2.3
92.14507	0.9
93.07036	1.7
94.06567	1.3
95.04974	10.6
95.08610	1.1
96.08109	3.3
97.02898	1.1
98.01830	1.1
98.02415	12.7
98.06050	16.1
100.03968	2.3
103.03926	2.1
103.07567	7.2
104.04255	2.8
105.07009	3.1
106.07323	1.2
107.04949	1.2
107.08587	0.9
111.08091	2.1
112.07576	1.5
113.05990	3.1
116.03447	21.3
117.07028	1.0
119.08530	2.6
120.08908	1.5
121.06475	3.7
121.10119	1.8
122.10490	2.8
124.07590	21.8
131.08530	2.7
134.10481	2.4
135.08049	1.6
136.06206	1.7
137.05954	2.2
140.10695	11.0
142.08635	7.2
145.10091	5.1
149.09572	1.9
153.01871	1.2
156.10175	1.2
158.11769	47.5
159.02910	1.2
159.08057	2.7
160.03224	4.0
160.09680	0.9
162.13556	2.3
164.10559	1.1
166.08640	2.6
174.11220	2.4
177.09094	1.9
177.12741	4.3
184.09692	18.7
192.06567	1.3
202.07063	0.9
202.08852	1.4
202.10745	24.0
202.14403	3.0
203.10928	1.1
204.14645	14.6
205.15878	45.1
220.05899	1.7
220.08066	1.4
220.09674	1.3
220.11768	20.8
220.15479	3.7
220.17790	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	219.134
Annotation	D-Lysopine
Peak:m/z	Relative Intensity
54.03485	0.6
55.01880	2.4
55.05520	1.6
56.05047	0.6
56.96582	0.7
57.07076	24.0
61.02914	1.2
67.05505	1.1
67.52548	0.6
69.07075	1.5
71.01356	1.9
71.06131	0.8
71.20323	1.3
71.20686	0.6
72.04510	5.5
72.08141	3.0
73.02913	2.7
74.02441	25.4
74.09719	66.8
75.04480	2.7
79.05469	1.4
80.30691	0.5
81.07054	2.2
82.02940	31.8
82.06603	0.8
83.01342	3.7
83.04983	0.8
83.08582	0.6
84.04508	1.2
85.02892	1.8
87.04465	2.1
87.60104	0.6
90.05564	1.3
91.05477	1.5
93.07034	1.2
95.04967	0.6
98.97578	0.7
99.05576	2.1
100.03978	6.7
101.02386	2.4
103.03925	3.2
105.07035	2.2
107.08571	1.1
110.09715	0.9
115.05475	0.6
117.06995	1.0
117.42780	0.6
117.45766	0.7
118.05021	5.8
119.03426	1.1
119.08578	4.4
121.10133	4.4
123.08076	0.7
127.12315	5.5
128.03424	1.1
128.10715	1.6
131.03377	1.0
131.08560	0.9
133.10133	4.7
135.07976	0.7
135.11728	1.4
135.50089	0.6
138.09137	2.0
145.06465	1.1
145.10149	1.2
146.04483	26.9
147.11728	1.4
155.11792	100.0
156.12157	1.5
158.11755	2.0
159.02919	4.3
161.09641	1.6
161.13235	2.5
170.10878	0.6
173.05963	1.0
173.09616	1.0
173.12851	3.8
175.14815	1.1
184.09685	5.6
188.11929	1.1
201.12329	10.5
202.10747	60.1
203.12447	1.1
203.14320	22.4
219.13441	8.3
219.17435	59.3
220.17836	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.3
55.05511	2.9
56.05022	1.0
56.96555	1.4
57.03418	0.6
57.07074	17.5
61.02925	1.3
67.05489	2.7
69.03455	0.7
69.07078	3.0
70.06587	0.6
70.92709	1.4
70.93056	0.7
71.01340	2.1
72.04505	2.3
72.08151	3.6
73.02905	2.5
74.02033	1.1
74.02438	16.8
74.09716	46.5
75.04485	3.3
78.99316	0.5
79.05500	3.3
81.04536	0.8
81.07044	2.7
82.02938	22.9
82.06561	2.5
82.91403	0.6
83.01325	2.7
83.04958	1.8
84.04505	1.0
84.08127	0.7
85.02888	2.0
85.06542	0.9
86.06081	0.6
87.04452	3.2
88.53336	0.5
90.05527	1.7
91.05463	3.0
93.07051	2.9
95.04952	1.4
95.08608	1.5
97.06571	0.7
98.06050	2.0
98.21190	1.0
98.97540	0.7
99.05567	1.5
100.03970	6.4
101.02386	1.3
103.03952	4.1
103.05488	0.7
105.07022	4.5
107.08589	3.2
108.08142	1.4
109.06511	0.8
109.10127	0.7
110.09660	0.7
111.04424	0.8
112.79963	0.6
115.05498	1.0
116.03477	0.6
116.98599	1.5
117.07011	1.1
118.05003	4.5
119.03418	1.0
119.08571	6.9
121.06529	0.7
121.10136	9.0
123.08092	1.5
127.12320	4.2
128.03423	1.5
128.06166	0.8
128.10672	0.9
131.04900	0.7
131.08542	1.1
133.10124	7.4
134.99667	0.9
135.08020	1.1
135.11673	1.1
138.09114	1.7
140.10661	2.1
143.08569	1.2
145.06525	3.3
145.10123	2.7
146.04478	20.5
146.07004	0.7
147.08096	0.7
147.11685	2.6
154.12209	0.7
155.11789	67.7
156.10223	1.4
156.12112	0.6
158.11771	7.2
159.02916	3.8
159.07979	0.8
159.11723	0.8
161.09607	2.5
161.13280	4.8
170.10916	1.6
173.05951	2.0
173.09628	1.3
173.12927	2.7
175.14806	2.2
177.05396	0.7
184.09657	4.3
185.13240	0.7
187.11197	2.2
188.11955	1.9
201.12323	7.5
202.10739	41.7
203.11234	1.2
203.14310	36.9
205.15845	1.1
219.06616	1.2
219.13454	6.0
219.17429	100.0
220.11844	0.8
220.15401	0.9
221.93344	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1337
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
51.05693	0.7
52.67850	0.7
54.66829	0.8
56.05033	5.8
60.04522	100.0
67.05495	1.3
69.07066	1.9
71.02148	1.7
74.02448	0.7
74.06084	0.7
79.05514	1.4
81.29415	0.9
82.89439	0.8
83.04994	0.9
86.09702	74.8
87.05587	3.2
91.05457	0.9
102.05494	0.9
105.07038	1.2
107.04971	0.9
107.08595	1.1
119.08558	2.3
120.08051	0.8
121.10137	3.4
128.10716	2.9
130.06538	1.1
132.10196	44.9
133.10110	3.4
145.10098	1.0
146.05998	1.5
161.13229	2.2
173.07082	1.1
173.12868	24.9
175.14816	1.0
184.07608	0.7
187.11108	0.8
188.11955	1.0
201.12321	2.9
203.14313	17.9
219.13496	5.6
219.17427	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1015
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.01861	1.2
55.05495	3.1
56.96574	1.0
57.03429	2.1
67.05486	3.1
69.03416	1.6
69.07049	1.7
70.83919	0.9
71.57692	1.6
73.02911	0.9
79.05484	4.2
81.03369	1.0
81.07058	4.2
83.04965	1.9
91.05482	15.5
93.07049	5.3
95.04973	1.4
95.08640	1.2
97.02885	0.9
103.05458	3.2
105.07037	6.3
107.04956	1.9
107.08573	3.5
109.06494	1.2
115.05452	10.0
116.06254	6.2
116.06965	1.4
116.98635	0.7
117.07043	4.8
119.08581	9.8
120.08104	0.8
121.06522	2.1
121.10143	9.1
123.07994	1.1
128.06232	9.4
129.07007	31.2
130.04123	0.9
130.07771	2.5
131.04941	7.4
131.08563	30.4
132.05728	1.0
133.06494	1.5
133.10112	9.0
134.99631	1.1
135.04468	1.0
135.08031	2.3
135.11690	2.8
137.05928	3.1
141.06989	26.8
143.04965	1.4
143.08524	2.4
144.05701	7.9
145.06488	7.9
145.10106	4.7
146.07260	4.0
147.11658	2.4
148.83311	1.0
155.08513	0.9
157.06458	14.9
157.07582	1.2
158.07266	18.1
159.03084	1.0
159.04411	2.3
159.08057	24.1
159.11653	2.9
160.05215	4.5
160.12708	0.9
161.05991	1.9
161.09627	4.8
161.13260	5.5
163.03876	1.5
163.07559	1.5
163.11156	1.6
169.06483	10.8
169.07684	0.8
170.07263	4.9
170.10881	1.2
171.04398	1.4
171.08040	1.0
173.05983	6.1
173.09621	2.1
173.13242	1.8
174.06766	49.0
175.07497	9.4
175.14777	2.1
176.04828	0.9
177.05466	1.4
177.12926	1.1
186.06754	11.6
187.07539	5.0
187.11150	1.9
188.08299	3.2
188.11961	1.4
189.09102	57.5
191.07001	1.6
191.10658	4.1
201.05539	1.1
201.09093	22.0
201.12830	1.5
203.14313	36.2
205.16002	0.9
208.06714	1.3
219.06677	2.0
219.10164	49.9
219.13806	3.3
219.17426	100.0
220.10460	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.3
55.05517	4.3
55.93996	0.9
57.03424	1.3
57.07067	1.2
65.03933	1.1
65.98837	0.8
67.05504	5.1
69.03415	1.4
69.07076	4.8
69.87863	5.5
71.04980	1.9
79.05505	4.3
81.03403	1.5
81.07059	8.0
83.04951	2.0
83.08575	1.2
84.08147	1.1
89.42323	0.8
91.05481	13.3
93.07039	7.1
95.04945	3.5
95.08590	3.8
103.05456	4.1
105.07031	14.7
107.04962	1.4
107.08591	6.4
109.06481	1.3
109.10119	3.2
111.08058	0.9
115.05444	8.8
116.06227	3.1
116.98631	1.4
117.07024	6.6
119.08587	12.7
120.08117	1.8
121.06494	3.6
121.10139	10.1
123.08060	2.8
125.09607	1.3
128.06221	8.2
129.07001	28.5
130.07748	3.6
131.04900	5.7
131.08566	25.5
133.06482	1.3
133.10127	15.1
135.08026	4.1
135.11684	4.7
137.05980	1.7
137.09619	1.2
141.06982	21.8
142.07712	1.0
143.04921	1.4
143.08562	2.8
144.05687	5.2
145.06470	6.2
145.10109	7.0
146.07257	3.3
147.08005	2.9
147.11664	3.7
148.05121	1.0
149.06006	1.5
149.09604	1.5
151.03893	7.5
155.04921	1.1
157.06473	12.5
157.10078	1.3
158.07280	14.5
159.04425	2.0
159.08057	18.3
159.11674	6.9
160.05202	3.9
161.05908	1.1
161.09575	4.9
161.13254	6.9
163.07536	1.9
163.11119	2.0
169.06468	8.3
170.07266	4.0
173.05998	3.1
173.09622	1.9
173.13263	2.5
174.06767	44.5
175.07510	8.8
175.14810	2.4
176.14394	2.3
177.05487	1.6
177.09062	1.5
177.12802	1.1
186.06731	10.7
187.07625	4.3
187.11116	2.0
188.08276	2.5
188.11876	1.2
189.09096	49.1
190.09627	1.0
191.06842	0.9
191.10558	4.8
197.01204	1.2
201.09079	21.9
201.12802	1.9
201.16380	3.8
202.09302	0.9
203.14310	31.8
205.15846	1.9
208.95407	1.1
219.06816	1.2
219.08423	0.8
219.10152	46.2
219.13815	3.4
219.17430	100.0
220.10507	1.4
220.17841	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.05512	4.5
56.96558	1.3
57.07064	0.9
63.09901	0.7
65.03931	1.7
67.05505	5.9
69.03419	1.5
69.07066	5.6
69.51117	5.8
71.04987	1.1
79.05494	6.3
81.03409	1.4
81.07056	11.5
83.04955	1.4
83.08606	1.9
85.06526	0.8
88.07568	0.9
90.54093	0.6
91.05482	11.5
93.07040	10.1
95.04951	3.6
95.08612	6.7
97.06549	3.5
98.97594	1.5
101.02457	0.7
103.05447	2.8
105.07024	11.8
107.04929	1.0
107.08595	8.7
109.06503	3.2
109.10159	5.4
111.08080	2.1
115.05428	7.3
116.06232	2.6
116.98622	1.0
117.07016	4.4
119.08577	10.8
121.06491	2.0
121.10143	11.2
123.04456	3.2
123.08073	2.7
123.11681	1.8
125.09594	1.5
127.03893	0.9
128.06223	5.2
129.07007	20.4
130.07828	3.3
131.04953	6.1
131.08566	22.3
133.06551	0.8
133.10136	10.6
134.99664	0.8
135.04369	1.1
135.08029	2.6
135.11703	4.6
137.05956	1.9
137.09610	1.0
141.06989	17.4
143.04959	1.2
143.08571	2.4
144.05705	3.6
144.09302	0.8
145.06493	5.6
145.10129	8.0
146.07231	2.7
146.13000	0.6
147.08070	1.4
147.11714	4.8
148.05209	1.2
149.06003	0.9
149.09599	2.0
149.13245	2.4
151.03911	16.6
155.08588	1.0
157.06482	10.3
157.07596	1.2
157.10120	1.3
158.07280	12.7
159.04390	2.6
159.08064	13.5
159.11678	5.1
160.05196	3.4
161.06006	1.3
161.09590	3.7
161.13264	6.5
163.03845	0.7
163.07578	1.3
163.11168	2.9
169.06477	6.9
170.07248	2.5
170.10921	0.7
173.05969	3.7
173.09601	2.7
173.13274	2.4
174.06769	35.7
175.07539	5.2
175.11195	0.8
175.14815	2.1
176.04652	3.1
177.05482	2.6
177.09061	1.0
177.12779	0.8
185.13219	0.7
186.06766	10.0
187.07524	2.5
187.11162	1.9
188.08322	3.2
188.11900	1.7
189.09106	41.8
190.09384	1.1
191.06992	1.4
191.10675	2.9
201.05396	0.7
201.09094	17.8
201.12776	1.4
201.16382	4.1
203.14326	27.9
219.06647	1.2
219.10172	38.4
219.13838	3.2
219.17433	100.0
219.21420	2.7
220.10431	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1016
Annotation	Bitalin A
Peak:m/z	Relative Intensity
50.37660	1.2
55.01873	1.3
55.05495	4.2
55.71822	1.1
59.19756	1.5
66.75745	1.2
67.05506	7.4
68.37247	1.2
69.03418	2.4
69.07050	6.1
69.62384	10.7
71.04994	2.3
72.49350	1.3
79.05474	6.0
81.07063	13.0
81.38415	1.4
83.08607	2.1
85.02863	1.6
85.46846	1.4
91.05473	18.8
93.07031	11.0
95.04955	2.0
95.08604	7.7
97.06511	3.8
98.21423	2.7
98.97544	1.9
103.05442	5.5
105.07021	11.2
107.08591	12.0
109.06478	1.9
109.10172	7.9
111.08084	7.1
115.05444	14.2
116.06200	4.4
117.07044	8.2
117.82938	1.3
119.08585	11.6
121.06461	1.8
121.10149	18.5
122.03706	1.7
123.04417	5.1
123.08064	2.0
123.11694	4.2
128.06242	13.5
129.07008	43.4
130.07756	2.9
131.04916	13.0
131.08565	37.4
133.06488	1.7
133.10135	9.0
135.08031	5.2
135.11668	7.9
137.05965	4.0
141.06982	33.6
142.88060	1.6
143.04826	2.1
143.08566	2.6
144.05708	7.8
145.06480	12.4
145.10147	9.2
146.07257	2.8
146.10789	1.4
147.08017	1.9
147.11650	4.0
149.06006	4.4
149.09628	4.3
151.03877	7.5
155.08543	2.2
157.06494	18.9
157.10007	1.5
158.07281	19.1
159.04411	3.5
159.08023	25.7
159.11703	7.9
160.05173	4.5
161.05936	2.6
161.09598	5.3
161.13281	8.1
163.07516	2.1
163.11166	4.5
168.05750	1.4
169.06461	11.8
170.07291	8.2
173.05986	8.1
173.09601	4.2
173.13184	2.9
174.06773	69.7
175.07550	12.6
175.14841	3.6
177.05444	2.2
177.09155	1.4
177.12775	1.7
177.16336	1.7
186.06764	17.8
187.07552	3.1
188.08275	3.1
189.09103	74.4
189.12758	3.4
190.09547	2.0
191.06973	2.9
191.10661	6.4
201.09103	34.0
201.16370	5.1
202.09555	1.4
203.14316	31.3
204.15123	4.4
210.01974	1.6
219.08067	3.2
219.10159	64.1
219.17433	100.0
219.20978	3.3
220.10545	2.6
220.17043	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	219.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.9
55.05507	4.4
56.87305	0.9
57.03420	2.0
57.07074	1.5
61.57472	0.7
67.05482	3.4
69.03407	1.4
69.07050	4.2
69.55818	7.5
76.75772	0.8
79.05485	4.5
81.07048	7.0
83.04985	1.3
91.05479	14.0
93.07030	5.2
95.04937	1.9
95.08588	2.3
97.06496	0.9
98.97571	0.9
102.82103	0.8
103.05477	2.6
105.06371	1.4
105.07024	12.1
107.04961	1.1
107.08594	6.5
107.40798	0.8
109.06507	2.0
109.10162	1.9
111.04408	0.9
115.05454	10.0
116.06219	3.3
116.98595	1.2
117.07003	5.9
119.08573	11.4
120.08102	2.1
120.67741	1.0
121.06462	2.0
121.10149	8.6
123.08040	1.6
128.06218	7.9
129.06998	30.4
130.07735	3.1
131.04921	7.4
131.08563	28.7
132.08911	1.2
133.06500	1.5
133.10115	9.7
135.04341	1.1
135.08012	3.3
135.11685	2.6
135.28838	0.8
137.05936	2.9
137.09601	1.8
141.06981	24.2
143.04907	1.1
143.08551	2.9
144.05711	5.3
145.06480	6.4
145.10088	6.2
146.07234	3.1
147.08087	2.0
147.11679	2.5
148.05185	1.4
149.05977	1.1
149.13206	1.1
151.03967	2.1
151.07434	1.1
155.08553	1.8
157.06500	14.1
157.07707	1.3
157.10005	0.9
158.03609	0.9
158.07280	14.8
159.04416	2.8
159.08049	19.2
159.11685	6.6
160.05174	3.2
160.08542	1.8
161.05931	2.1
161.09608	4.7
161.13301	6.3
163.07520	2.1
163.11140	1.3
169.06467	8.7
169.07661	1.4
170.07210	4.2
173.05975	4.9
173.09657	2.3
173.13226	2.5
174.06767	51.0
175.07513	7.8
175.14801	3.0
176.04738	0.9
176.08076	0.8
176.14371	1.8
177.12697	1.3
185.13132	1.1
186.06760	10.4
187.07445	2.0
187.11151	2.4
188.08295	2.8
188.11859	1.8
189.09105	56.3
190.09471	1.6
191.06967	1.9
191.10674	5.1
201.09094	22.5
201.12718	1.4
201.16393	1.3
203.14307	35.9
205.15796	1.5
219.06578	2.4
219.10139	44.6
219.13795	3.1
219.17427	100.0
220.10565	1.1
220.17783	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1014
Annotation	Bitalin A
Peak:m/z	Relative Intensity
55.05499	1.9
56.96567	1.2
57.03422	3.0
67.05486	3.1
69.03422	1.9
69.07055	3.0
69.85503	4.8
69.85925	2.3
76.55759	1.0
79.05480	3.2
81.07038	4.5
85.02885	1.3
88.92726	1.0
91.05482	15.8
93.07040	3.8
95.04968	1.2
95.08611	2.7
98.21445	1.0
98.97597	1.6
103.03924	1.4
103.05442	4.6
104.59198	1.1
105.07034	8.1
107.08575	4.1
109.06495	1.7
115.05467	13.7
116.06237	4.1
117.05506	2.5
117.07018	6.1
117.70743	1.0
119.08572	7.1
121.10136	6.9
123.08059	1.2
125.41453	1.1
128.06238	13.1
129.07004	50.2
130.04120	1.1
130.07755	3.6
131.04913	12.3
131.08566	43.3
133.06424	1.2
133.10133	10.1
135.07979	1.9
135.11691	2.3
137.05986	5.3
137.06921	1.2
137.09615	1.2
141.06990	44.5
143.04903	1.2
143.08562	4.3
144.05661	5.9
145.06468	12.1
145.10114	4.5
146.07242	7.4
147.04443	1.8
147.08116	1.3
147.11623	2.6
148.05138	2.5
151.03874	3.7
153.06999	1.1
155.06023	2.1
156.05692	1.7
157.06487	24.5
158.07271	27.3
159.04427	4.8
159.08044	26.5
159.11685	3.2
160.05177	6.1
161.05898	2.2
161.09680	6.2
161.13219	4.9
163.07536	2.1
168.05592	1.5
169.06474	14.6
169.07709	1.1
170.07227	7.0
170.10944	1.7
171.04454	1.5
171.08009	1.3
172.05148	1.5
173.06020	5.0
173.09662	2.1
173.13206	1.2
174.06766	88.1
175.07530	12.8
175.14839	1.9
185.05984	1.5
186.06766	21.4
187.07494	1.6
187.11180	1.6
188.08391	5.6
189.09102	100.0
190.09483	3.8
191.06984	3.0
191.10675	6.6
201.09108	43.1
201.16365	1.7
202.09398	2.0
203.14301	30.0
205.15733	1.8
219.10164	75.8
219.13814	3.3
219.17429	85.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58863	5.4
54.51989	5.4
56.05032	6.1
71.57085	10.6
79.65051	5.4
84.08128	6.1
89.94586	4.7
94.06567	22.4
94.93008	100.0
119.01892	9.4
121.01681	11.3
124.69002	5.4
147.03230	7.8
160.09595	6.4
161.68761	5.3
183.52667	6.2
203.14362	22.9
212.64587	5.8
214.84952	5.8
219.17496	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	219.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89463	0.4
55.01871	2.2
55.05518	2.2
56.96557	1.0
57.03426	0.4
57.07054	1.2
58.27080	0.4
59.04990	0.5
61.02639	0.7
61.02925	7.9
64.69856	0.4
67.05489	1.6
69.03407	0.9
69.07072	2.7
70.98099	0.9
71.01350	13.0
72.63743	0.5
74.02451	0.5
75.04477	18.5
79.05497	2.4
79.24291	0.4
80.14944	0.4
81.03397	0.7
81.07065	3.1
83.04956	1.0
83.08617	0.7
85.02902	0.7
87.04457	7.0
89.02393	2.4
89.07143	0.5
90.05577	0.6
91.05474	2.4
91.05996	0.4
91.92393	0.4
93.07037	3.1
94.38875	0.4
95.04985	1.0
95.08595	1.3
98.97572	0.9
103.03937	22.6
105.07034	4.2
107.08591	2.8
109.06501	1.1
110.93904	0.5
111.04431	0.7
115.05455	0.6
116.98615	1.4
117.06992	1.1
119.08577	7.6
121.10130	7.6
123.08048	1.3
129.07018	0.5
131.03424	3.6
131.04924	0.5
131.08542	1.2
133.06409	0.8
133.10126	6.8
134.99614	0.6
135.08072	1.0
135.11653	0.9
137.06090	0.5
142.07883	0.5
143.08563	1.0
145.06471	1.2
145.10126	2.3
147.08017	1.1
147.11674	2.2
148.08757	0.5
155.11769	0.6
157.07607	1.0
157.10051	1.1
159.02882	27.8
159.08080	0.7
159.11687	0.7
160.12454	0.9
161.05949	0.5
161.09616	2.1
161.13246	4.5
163.11229	0.5
170.10867	1.4
173.05978	1.6
173.09642	1.0
175.14833	1.9
185.13191	0.8
187.02409	3.4
187.11246	2.2
188.11922	1.3
191.06950	0.6
203.14307	39.4
219.03119	0.7
219.04947	2.0
219.06697	1.0
219.17429	100.0
223.54768	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.195
Annotation	(+)-Vulgraon B
Peak:m/z	Relative Intensity
50.45948	1.4
53.03939	3.0
53.40547	1.2
55.05508	38.8
57.07053	4.7
59.04973	2.5
64.15408	1.2
67.05504	28.9
69.03407	2.4
69.07063	30.2
69.93024	1.2
70.71434	4.4
71.08620	1.7
73.02908	2.0
79.05484	12.4
81.07053	41.9
83.04978	34.5
83.08633	11.3
84.05282	1.4
85.06521	3.5
87.04440	5.9
89.02374	3.9
89.06006	4.9
91.05486	16.2
93.07036	22.2
95.04967	1.5
95.08608	52.5
97.10146	3.8
99.04458	3.0
101.06007	12.0
101.14909	1.3
103.05381	1.3
105.07027	53.7
107.08591	40.5
109.06483	1.7
109.10153	49.2
111.04441	40.9
111.11697	5.2
112.04736	1.6
113.06006	7.5
117.07009	4.1
117.98018	1.4
119.06024	1.4
119.08578	71.7
121.10139	34.3
123.11697	24.4
127.07571	10.0
128.06233	3.0
129.05475	13.3
129.07001	4.7
131.08548	5.1
133.10129	45.0
135.11682	10.8
137.13258	1.8
142.07776	4.7
143.08553	7.0
144.09300	2.2
145.10129	5.7
146.58527	1.7
147.10522	2.3
147.11681	41.0
149.13234	3.8
155.07027	64.3
156.07391	2.7
156.09375	3.3
157.10173	10.0
158.10873	5.4
159.11696	21.2
161.13252	61.0
162.13780	1.8
169.10103	5.1
170.10863	1.6
171.11682	5.2
173.08098	28.0
173.13251	3.2
175.14821	21.1
184.12428	4.9
189.16434	7.7
199.09647	2.5
199.14835	19.5
217.10695	23.1
217.16249	12.6
217.19502	100.0
218.19789	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	217.1296
Annotation	N-Acetyl-L-arginine
Peak:m/z	Relative Intensity
55.01862	1.6
55.05496	4.6
56.05018	1.6
56.96564	9.5
57.03423	1.4
60.04526	6.2
60.05648	14.8
68.05013	2.2
69.03419	2.6
70.06592	100.0
70.98085	1.2
71.04642	1.4
71.04994	16.6
71.06894	1.2
71.57460	1.5
72.04514	3.0
72.08148	11.7
73.02911	2.1
74.02444	8.5
74.06074	2.4
74.97607	1.2
82.06551	1.7
83.04997	5.2
84.08138	3.2
85.02859	2.1
86.06091	2.4
87.04485	1.6
88.07628	7.0
88.99158	1.2
95.06104	5.0
97.02892	1.4
97.07633	2.9
98.06056	2.7
98.97573	8.4
99.04431	2.2
100.07558	1.8
101.06011	2.5
110.97570	1.4
111.04439	6.5
111.09194	1.4
112.07594	14.2
112.08723	14.2
113.05990	1.4
113.07136	10.2
113.10809	1.2
114.09177	7.9
114.10307	2.6
115.08690	26.4
116.07095	45.6
116.08952	1.5
116.98605	6.0
119.01881	3.0
119.04888	1.2
120.56920	1.0
121.01750	1.5
127.07534	1.0
128.98590	2.0
129.05458	1.8
130.08722	2.1
130.09753	6.7
133.03450	1.3
134.99654	4.0
139.08672	3.2
139.36708	1.1
140.07088	1.4
140.08206	1.5
144.06593	2.7
146.99640	2.5
154.09763	2.0
154.22359	1.0
155.07056	7.1
157.08461	0.9
157.09732	21.6
157.10928	2.4
158.08113	64.9
158.09279	15.4
160.97588	1.2
163.02844	1.5
173.08090	3.3
174.11285	2.0
175.10670	1.5
175.11951	14.6
181.03899	1.3
198.23946	1.0
199.12006	2.4
200.10321	18.5
217.11095	2.7
217.12958	76.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43470	0.6
55.05515	1.4
55.84071	0.5
56.05019	0.8
56.96554	1.8
57.03447	0.7
60.04523	6.6
60.05359	1.0
60.05644	13.1
60.22062	0.5
64.25908	0.5
69.03407	0.7
69.44446	3.8
69.44860	1.7
70.06589	100.0
70.38106	0.6
71.04986	17.7
71.06926	1.0
72.04504	3.1
72.08150	12.3
74.02436	8.7
74.06078	0.9
81.03458	0.7
82.06573	12.1
83.04966	0.7
84.08128	1.6
86.06068	1.2
87.04452	0.7
87.14320	0.7
88.03986	1.2
88.07623	6.4
95.06078	4.5
97.07651	3.6
98.06062	2.3
98.21166	2.8
98.97586	1.2
99.04476	1.3
100.07612	48.2
101.00902	0.9
111.09214	2.1
112.07614	14.4
112.08742	14.6
113.07130	10.5
113.07911	0.8
113.10765	1.2
114.05550	1.4
114.09149	7.1
114.10302	2.3
115.08683	27.3
116.03478	0.9
116.07086	41.7
116.98645	0.7
119.01920	4.0
126.52993	0.6
128.07112	1.1
130.08672	2.1
130.09776	7.2
133.09738	0.8
137.02936	1.5
139.08710	2.3
140.07083	1.2
141.06543	0.6
142.96497	0.7
145.03505	2.8
154.09779	1.0
155.07028	0.9
157.09724	19.4
158.08156	69.5
158.09300	15.1
159.08458	0.7
163.04515	1.3
175.10687	1.0
175.11931	17.3
182.09300	0.8
191.04056	0.8
199.11961	2.6
200.10301	19.6
201.10637	0.9
217.13020	78.5
218.13380	0.9
236.75053	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09703	0.5
54.72275	0.5
55.01883	0.7
55.05509	16.0
56.05028	0.9
56.96561	6.9
57.03418	1.2
57.60289	0.4
59.04991	1.7
60.04524	7.3
60.05645	12.4
60.59410	0.4
61.02916	0.8
65.03937	0.6
67.05497	1.7
68.05029	1.1
69.03425	2.1
69.07068	0.5
69.77140	0.4
70.06589	100.0
70.98130	1.0
71.04988	15.9
71.06915	1.0
71.58102	0.7
72.04518	3.9
72.08150	13.2
73.02911	1.2
74.02434	8.7
74.06084	0.6
76.24612	0.5
77.00891	0.6
79.05512	0.5
81.03417	0.9
82.06586	3.7
83.04977	24.6
83.08608	1.2
84.04489	1.8
84.08136	1.8
85.02908	1.5
85.06541	1.8
86.06060	1.4
87.04458	4.3
88.03989	1.7
88.07629	6.6
88.99133	1.2
89.02373	2.6
89.06031	1.8
93.03395	0.6
95.06087	4.7
96.04461	0.6
96.08176	0.4
97.07648	4.3
98.06042	2.1
98.97595	2.6
99.04434	3.2
100.03971	0.7
100.07613	11.0
101.00896	0.6
101.06017	7.6
103.02432	0.8
107.00182	0.8
111.04440	22.7
111.08131	0.4
111.09215	2.4
112.07596	15.0
112.08727	14.8
112.09486	1.0
113.05991	4.2
113.07129	10.1
113.10782	1.4
114.05521	0.9
114.09164	6.9
114.10294	3.5
115.08690	28.8
115.71068	0.5
116.07088	40.2
116.98622	3.5
118.01035	0.4
119.01910	4.6
121.01617	0.5
127.03867	0.5
127.07551	5.1
128.07066	1.1
129.05475	11.2
129.06995	0.8
130.08635	1.6
130.09750	7.0
131.01889	0.7
133.03465	1.0
133.09758	0.7
134.99663	3.2
137.02925	2.0
137.05913	1.0
137.10721	0.6
138.09131	0.9
139.08687	3.0
140.07034	1.8
140.08080	0.7
141.06546	0.7
142.02859	0.6
145.03476	2.7
147.05135	0.7
147.11464	0.4
149.01289	0.5
153.00667	0.7
154.09749	1.6
155.07024	35.9
156.07378	0.9
156.11279	0.7
157.09721	20.4
157.10811	1.3
158.08104	67.4
158.09271	15.0
159.07497	0.7
160.97643	0.8
161.03052	0.6
163.04495	1.6
172.09662	2.0
173.08086	15.6
174.05769	0.5
174.74193	0.5
175.11929	18.3
182.09299	1.1
183.07675	0.7
189.02457	1.3
193.00183	1.8
199.09660	1.3
199.11897	2.2
200.10303	19.4
211.01228	0.6
212.04008	0.6
217.10744	12.9
217.12936	75.1
218.10297	1.4
218.13213	1.4
221.04916	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1222
Annotation	4,9-dimethyldodeca-2,4,6,8,10-pentaenedial
Peak:m/z	Relative Intensity
53.03939	5.5
55.01863	5.4
55.05262	2.2
55.05509	29.3
59.04990	4.2
65.03945	2.9
67.05503	11.9
69.03436	6.3
69.07055	3.2
69.31080	5.8
69.31507	8.3
72.61515	1.3
73.02914	2.4
78.76396	1.2
79.05492	36.2
80.06268	1.3
81.07056	74.5
83.04981	42.0
85.06535	3.3
86.77840	1.3
87.04465	4.9
89.02389	4.2
89.06025	4.4
91.05486	21.9
93.07041	21.1
95.04987	11.5
95.08585	3.3
97.06519	7.2
99.04464	4.6
101.06014	12.8
103.05473	2.8
105.07023	22.8
107.04949	7.2
107.08569	6.0
109.06519	39.2
109.87198	1.4
111.04442	37.2
111.08116	1.3
112.99393	1.2
113.05991	6.3
115.05453	3.6
117.07005	3.2
119.04955	2.2
119.08565	14.2
121.06503	100.0
123.04400	1.8
123.08069	3.7
124.42657	1.3
127.07548	31.0
128.06244	6.9
129.05499	13.5
129.06998	15.3
130.07793	1.6
131.08565	4.4
133.06505	4.9
133.10112	8.5
135.04443	6.8
135.08037	6.4
137.05988	4.3
139.07538	1.6
141.07008	5.2
142.07777	11.4
143.08559	17.6
145.06502	3.6
145.10127	4.6
147.04379	1.3
147.07985	6.0
147.11700	7.1
153.07024	1.8
155.07036	58.5
155.08429	2.8
156.05766	1.3
156.09348	8.9
157.06497	3.7
157.10127	25.5
158.07277	3.1
159.08044	2.4
159.11726	1.6
160.08841	2.2
161.05988	4.1
161.09624	3.3
161.13281	3.9
165.06967	5.1
166.07838	8.3
171.08022	3.1
171.11679	22.2
173.08105	20.2
173.09605	5.4
175.11194	15.2
181.10159	9.6
184.08864	2.9
189.09073	1.6
189.12778	10.9
199.09624	2.0
199.11186	32.9
217.08611	2.8
217.10608	14.3
217.12276	41.4
217.15840	4.6
217.19463	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	217.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.7
55.05510	42.5
57.03417	1.8
59.04997	4.6
67.05501	6.4
69.03428	3.6
69.07069	2.5
69.44865	11.8
72.94640	1.5
73.02922	4.0
78.44830	1.5
79.05482	3.0
81.07041	5.4
83.04978	63.2
83.08614	3.8
85.06542	4.8
87.04467	8.2
89.02385	6.0
89.06030	5.9
91.05476	4.9
93.07017	2.8
95.08601	2.4
99.04478	4.5
101.06018	19.0
105.07042	5.6
107.08600	2.9
108.86325	1.5
108.87181	1.5
109.10165	2.3
111.04439	55.6
113.05996	12.9
119.08600	6.7
121.10169	2.2
125.25967	1.5
127.07536	13.4
129.05476	22.4
129.07022	4.3
133.10132	4.2
133.66202	1.5
135.11684	2.3
137.05998	3.0
143.08556	2.7
147.11699	2.5
155.07028	100.0
156.05743	2.3
157.10114	3.3
159.11720	2.0
161.05986	2.4
161.09651	2.6
171.11624	1.9
173.08101	38.8
173.09505	3.2
199.09673	4.4
199.14835	2.8
217.04874	1.8
217.10715	26.4
217.12256	12.6
217.15897	5.7
217.19455	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	217.0859
Annotation	Noraucuparin
Peak:m/z	Relative Intensity
52.09245	1.0
53.03922	2.2
55.01870	3.8
55.05514	31.7
55.27671	0.8
59.04992	1.6
59.14478	0.8
67.05506	4.7
69.03429	2.6
69.07067	1.5
70.38393	0.8
71.58514	1.7
73.02926	2.0
73.09232	1.0
79.05500	4.1
81.03413	1.3
81.07039	3.3
83.04981	42.0
83.08603	1.8
85.06551	3.5
87.04477	6.1
89.02380	5.1
89.06032	4.4
91.05483	22.2
93.07046	3.8
95.04951	1.3
95.08604	2.7
99.04462	2.9
99.90392	0.9
101.06015	14.1
103.05482	7.2
104.06229	1.3
105.07028	18.4
107.04940	3.8
107.08598	2.7
111.04443	40.4
111.05215	2.1
111.08114	1.1
113.06006	7.2
115.05449	11.8
116.06268	7.3
116.92396	0.9
117.07011	7.9
119.04945	3.6
119.08604	3.1
121.06529	6.8
121.10157	3.4
127.07562	9.6
128.06227	31.3
129.05524	15.5
129.07004	35.7
130.07780	1.9
131.04933	15.9
131.08566	7.4
132.05655	1.7
133.06479	3.3
133.10143	3.1
135.11731	2.5
137.06003	1.6
141.07005	4.1
143.04906	2.1
143.08562	3.0
144.05710	12.6
145.06483	16.1
146.07262	21.1
147.04456	1.4
147.08028	2.8
147.11711	2.1
155.01938	1.1
155.04958	2.5
155.07034	63.2
156.05688	12.7
157.06491	14.9
157.07748	1.3
157.10104	1.4
158.07224	1.9
159.04491	2.2
159.08051	24.6
160.05209	2.9
160.08792	2.3
161.06087	4.6
161.09621	100.0
161.13277	2.7
162.09897	1.5
168.05692	3.7
169.06462	1.2
171.04384	4.5
171.08028	7.9
171.11562	1.0
172.05185	26.8
173.05937	4.2
173.08104	25.2
173.09238	0.6
174.06772	19.1
175.07513	7.1
175.14877	1.4
181.81129	0.9
184.05173	18.2
185.05922	4.4
186.06546	12.0
187.07552	31.1
188.08339	7.2
189.05455	3.1
189.09114	26.1
189.10745	2.1
199.07544	68.1
199.09512	2.8
200.08008	2.6
202.05984	6.6
206.54735	1.3
213.11493	1.0
217.08578	97.3
217.10727	23.3
217.15839	2.5
217.19458	5.0
218.08846	3.1
226.10646	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97494	0.6
52.02621	0.6
55.01862	1.7
55.05510	28.9
56.05026	0.9
58.99836	1.6
59.04988	2.7
60.04527	3.5
60.05653	4.2
61.02897	0.7
67.05502	4.1
67.34824	0.7
69.03434	3.8
69.07045	2.1
70.06592	31.0
71.04986	4.7
72.04520	0.7
72.08153	9.2
73.02897	3.4
74.02432	2.6
74.06083	2.3
76.05129	1.2
77.00893	1.7
81.07038	0.9
82.99817	0.9
83.04981	46.0
83.08603	2.0
84.04501	1.4
84.08163	3.3
84.11700	0.6
85.02911	1.3
85.06551	3.1
86.24319	0.7
87.04468	6.7
88.03987	1.2
88.07630	2.0
89.02403	6.2
89.06036	4.6
91.05478	1.0
93.07047	0.7
95.01945	0.8
95.06084	1.4
97.07681	0.6
98.06062	1.8
99.04458	3.5
100.02443	0.7
100.07583	1.4
101.00869	8.7
101.06016	15.9
102.05550	0.9
103.02448	13.9
111.04439	38.7
111.08050	1.1
112.07602	5.8
112.08727	4.3
113.00864	1.1
113.06010	8.2
113.07124	2.6
114.09161	2.2
114.10258	1.0
115.02431	1.5
115.08693	9.7
116.06332	1.3
116.07094	15.5
119.01921	100.0
120.01994	4.8
120.03279	1.7
121.01657	4.3
121.03483	13.9
127.02427	2.2
127.07566	8.0
128.07036	0.8
129.05481	20.9
129.06990	1.4
129.10289	1.2
130.08723	0.9
130.09755	2.0
131.01913	13.5
131.04848	0.7
133.03439	2.9
135.05000	0.7
137.02956	64.8
137.05959	1.9
138.03061	2.8
138.04320	3.3
139.02689	2.6
139.08644	1.0
142.03484	4.7
144.05035	0.8
145.03462	72.2
146.03568	2.9
146.04750	0.7
147.01382	6.0
149.02975	6.4
149.05905	0.6
151.04561	0.7
152.78287	0.6
154.03523	0.8
155.01944	4.0
155.07028	70.6
156.05983	0.6
157.03497	2.0
157.09731	7.0
158.08124	20.4
158.09290	3.8
159.03065	0.6
159.05023	1.5
160.04587	2.6
161.02995	2.0
163.04529	46.9
164.04677	2.3
165.02478	1.6
168.05061	6.1
171.01480	3.1
172.09688	1.3
173.02974	9.2
173.08093	27.3
174.04346	0.9
175.04594	1.2
175.11932	6.4
177.05975	0.7
185.02995	1.2
186.06125	2.2
189.02443	22.2
190.02518	1.4
191.04001	4.3
193.01932	2.6
193.04939	0.7
194.25578	0.7
199.00827	0.9
199.09682	2.8
199.11664	0.7
200.10310	6.5
203.04086	0.7
207.03493	12.0
208.03795	1.3
212.04016	1.4
213.06093	1.0
217.02037	4.2
217.05049	1.4
217.06912	14.3
217.10742	23.0
217.12982	28.1
221.05081	1.1
230.05029	0.8
235.02985	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	217.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
55.01865	0.7
55.05508	7.8
58.99870	1.4
59.04987	0.9
67.05505	1.2
69.03416	0.7
69.07082	0.5
70.06593	1.4
71.01340	0.4
71.57735	1.0
72.08159	1.0
72.61138	0.4
73.02906	0.9
77.00920	0.8
78.49226	0.4
79.24075	0.4
82.99847	0.8
83.04980	13.6
83.08644	0.9
85.01410	1.1
85.06533	1.5
87.04469	1.8
89.02398	1.7
89.06020	1.6
90.30116	0.4
99.04463	1.3
101.00872	11.0
101.06018	4.5
103.02442	12.7
111.04441	15.2
113.00867	1.0
113.05997	2.5
114.45262	0.5
119.01920	100.0
120.01979	2.3
121.01661	3.0
121.03477	12.5
126.03944	0.5
127.02345	2.4
127.07533	2.2
129.00354	0.9
129.05476	7.1
131.01915	11.0
133.03514	0.5
137.02954	50.3
137.05905	1.0
138.03073	1.4
139.02710	1.6
142.03552	3.4
144.05043	0.6
145.03464	67.2
146.03561	1.0
147.01390	6.3
149.02974	5.4
149.05911	0.4
155.01912	0.7
155.07034	25.4
159.05040	1.1
160.04633	1.1
161.03078	0.6
163.04529	49.5
164.04648	1.2
165.02420	1.2
168.05055	3.2
170.02951	0.5
171.01361	3.6
171.05110	0.8
173.02998	4.5
173.08093	9.9
173.09518	0.8
175.00905	1.0
177.04391	0.6
177.06096	0.7
186.06059	1.6
189.00722	0.9
189.02446	19.6
190.02573	0.6
191.03992	4.3
193.01942	2.4
199.00844	1.0
199.09761	1.2
207.03514	13.0
210.34052	0.5
212.04109	1.4
217.01898	3.7
217.07173	2.4
217.10663	8.8
217.12471	0.5
221.05014	0.7
235.02974	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	217.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20032	0.8
53.68048	0.9
60.32895	0.8
70.71415	2.9
70.71759	1.0
77.00930	0.9
85.01452	1.2
101.00867	12.6
103.02432	11.1
113.00815	1.2
119.01917	100.0
120.02026	2.6
120.03274	2.0
121.01688	3.1
121.03472	8.6
127.02465	1.4
131.01897	11.6
131.02692	1.0
132.02148	0.8
137.02951	42.0
138.03107	1.9
142.03568	2.4
145.03465	43.0
146.03557	1.3
146.04895	0.9
147.01395	7.9
149.02977	5.2
163.04556	26.1
168.05150	1.6
171.01445	2.7
189.02495	10.0
191.04001	1.7
193.02023	1.2
207.03508	5.5
217.02008	1.4
235.02969	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42153	0.5
53.03945	0.5
55.05511	4.9
56.05034	0.6
56.96567	1.1
57.39511	0.4
58.99852	1.2
60.04121	0.3
60.05649	0.7
69.03419	0.5
70.06595	4.9
71.04999	0.8
71.57629	0.7
72.08155	28.0
74.06075	0.7
76.04162	0.4
77.00905	1.1
82.67987	0.3
82.99860	1.2
83.04980	2.5
84.08130	1.2
84.13986	0.4
85.01388	1.3
86.09737	0.4
87.04484	0.5
98.97551	0.5
100.07621	1.1
101.00871	13.0
101.06020	1.2
103.02448	11.1
103.02940	0.2
105.00336	0.4
111.04465	2.6
111.68119	0.4
112.07584	0.7
113.00786	0.4
113.06014	0.5
114.89456	0.4
115.08703	0.6
116.07108	2.4
116.98625	0.8
118.08652	1.0
119.01918	100.0
120.01979	3.0
120.03271	1.7
121.01658	2.6
121.03474	12.2
124.02454	0.5
127.02349	2.5
127.07496	0.5
129.00377	0.6
129.05496	0.7
131.01907	11.0
131.04820	0.7
133.03450	1.3
134.99687	0.5
137.02953	51.5
138.02992	1.5
138.04289	1.3
139.02631	0.7
142.03491	3.9
145.03458	71.1
146.03571	2.1
146.04755	0.8
147.01382	7.4
147.05081	0.6
149.02959	6.5
149.05817	0.5
154.03439	0.5
155.01859	0.6
155.07019	4.6
157.03461	0.6
158.08104	1.9
159.05038	1.3
160.04594	2.0
161.02960	0.8
162.04247	0.6
163.04524	48.1
164.04732	1.4
165.02415	0.8
168.05042	3.1
171.01407	4.0
171.05029	1.2
173.02933	4.5
173.05931	0.6
173.08118	1.8
174.04268	0.9
175.00896	1.0
175.04071	1.3
177.06108	0.8
186.06108	1.5
189.02432	19.3
189.06053	1.6
190.02451	0.6
190.03976	0.6
191.02374	0.7
191.04010	7.2
193.00266	0.9
193.01933	2.5
193.04778	1.0
199.00897	0.8
200.02356	0.5
203.03815	0.4
207.03503	11.5
212.04031	1.4
217.01903	4.5
217.05171	1.3
217.06866	1.4
217.10738	1.3
217.12987	1.6
217.15201	0.6
235.02898	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	216.123
Annotation	(+)-Monascumic acid
Peak:m/z	Relative Intensity
55.01871	5.3
55.05510	9.6
56.05021	2.3
56.75616	1.0
56.96560	1.2
57.03435	2.0
62.92989	0.9
69.03410	1.1
69.07057	1.9
70.74700	1.5
70.75042	2.1
71.08630	16.1
72.04512	9.6
73.02917	13.2
74.02424	4.6
82.02509	1.4
82.02949	13.7
83.01336	15.8
83.03257	1.4
83.04981	15.4
84.04507	1.9
85.02876	3.4
85.06533	1.8
86.09674	1.3
87.04475	1.5
88.11288	6.5
89.02386	2.0
89.06019	1.9
89.11588	2.3
95.08604	1.3
99.04400	1.1
100.03980	43.1
101.02377	7.3
101.05995	5.9
105.06987	1.5
111.04443	15.6
113.05984	2.4
118.05013	5.5
119.03396	2.1
127.07555	3.0
128.02502	1.8
128.03439	28.8
129.05476	8.0
134.99608	1.1
146.04485	82.0
155.07022	28.9
169.13368	1.1
170.11786	15.6
170.13768	6.2
173.08099	12.3
199.09654	1.1
214.58989	1.1
216.12320	100.0
217.10678	9.3
217.12494	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.0867
Annotation	Succinylproline
Peak:m/z	Relative Intensity
55.01891	6.5
55.05511	35.3
67.05491	5.9
70.06590	33.6
70.40254	21.7
72.08147	22.5
73.08493	13.6
74.02441	87.1
79.05490	69.3
80.05012	28.4
81.07058	8.5
83.04973	49.8
84.04521	7.9
84.08140	15.1
86.09708	9.3
87.04472	12.7
89.06013	5.5
91.05479	16.9
94.06576	11.6
95.04955	17.8
97.06530	15.3
98.20836	6.6
99.99296	5.8
101.06023	18.8
106.06549	100.0
107.04964	72.7
108.04507	6.8
108.05744	46.6
108.08115	7.6
110.06007	16.2
111.04433	46.4
113.05984	9.4
116.07085	23.0
117.07446	14.4
118.06538	24.3
124.07629	9.7
124.43690	5.7
125.05966	14.3
126.09189	7.5
127.07594	9.9
129.05466	25.6
132.08121	9.5
134.06013	90.2
135.04381	31.0
136.07590	25.7
139.06351	6.3
144.27533	6.2
152.07056	88.6
152.10695	8.1
155.05815	6.5
155.07008	77.1
170.08139	25.3
170.11716	5.8
173.08122	26.0
180.06606	35.0
198.07622	52.4
198.11372	12.6
216.08675	54.3
216.12311	12.5
217.08900	5.8
217.10701	27.3
229.11449	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	216.0573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.3
55.01871	5.1
55.05505	15.4
56.05013	5.0
56.96564	100.0
57.03440	11.9
58.06602	3.7
60.05645	2.2
60.95841	6.9
61.02933	8.3
65.71682	1.6
67.05499	4.6
69.03425	12.2
69.07072	3.5
70.02929	2.1
70.06591	26.0
70.98111	6.4
71.01341	1.6
71.04982	9.2
71.06892	2.3
71.57225	2.2
71.95270	3.7
72.08148	7.4
72.93770	2.9
72.96041	2.0
73.02908	8.0
74.97592	5.8
79.05484	3.0
81.03426	9.4
81.07053	2.0
82.06563	8.1
83.04991	18.4
83.06115	1.9
84.04483	5.5
84.08130	8.3
84.96014	4.1
85.02892	13.9
86.03687	3.2
86.06064	2.3
86.09695	2.7
87.04469	5.0
88.03984	3.6
88.30679	1.9
88.99152	7.7
89.02397	1.9
89.06037	2.5
90.85033	1.6
90.94840	2.4
92.98644	4.7
95.04984	2.6
96.04485	4.1
96.08121	2.3
97.02888	7.2
98.01266	1.9
98.06067	3.1
98.21160	1.8
98.97578	24.9
99.04436	4.7
100.07624	17.3
101.00871	2.9
101.02370	1.8
101.06020	6.2
102.05566	2.1
102.96964	1.8
103.02402	2.1
106.06538	1.8
107.00195	6.8
107.04940	1.8
107.08613	1.8
107.75609	1.7
108.04455	1.9
109.02878	2.9
109.05257	1.8
110.06039	5.7
110.97575	4.0
111.04406	11.1
112.07609	4.9
112.08759	2.2
113.02334	2.3
113.05984	4.2
114.05550	2.7
115.08683	4.5
116.00195	1.9
116.07091	6.7
116.86760	1.7
116.98611	31.2
118.01105	2.3
119.01908	27.2
120.02017	4.9
120.97963	1.9
121.01614	7.0
122.06018	2.8
124.07582	4.5
125.01185	1.8
126.05538	3.2
127.03877	2.2
128.02312	2.5
128.06210	1.8
128.07094	3.6
128.98575	7.4
129.05489	7.6
130.01756	4.2
130.08638	2.0
131.00157	3.0
131.01880	6.4
132.95840	2.7
132.97900	2.1
133.03522	3.1
134.01309	2.3
134.02930	2.3
134.03769	2.3
134.04794	1.6
134.52437	2.1
134.99664	41.8
135.03191	2.2
137.02975	10.1
138.03078	3.0
138.05444	3.8
138.09135	1.9
139.02711	3.0
140.07089	2.8
142.96509	3.4
143.00122	1.9
144.05077	2.9
144.06506	1.8
145.03450	16.9
146.99658	16.4
147.03123	2.7
148.02841	5.4
148.99234	2.3
149.01207	6.0
149.02948	2.0
149.53024	1.9
150.01826	1.9
150.96875	4.9
151.04561	2.6
151.96982	2.3
152.07054	7.6
152.08983	1.9
153.00713	11.9
155.07048	23.5
156.06514	2.1
157.03392	2.4
157.09721	2.7
158.01248	2.9
158.08099	9.4
158.99557	2.8
160.97647	8.4
161.01239	4.9
161.04739	1.8
163.04597	9.6
165.00681	7.5
165.01996	2.1
170.01300	1.9
170.03069	2.0
170.08112	6.0
170.11703	1.8
170.13687	6.7
171.01476	1.8
173.08113	9.9
174.04460	2.5
174.06004	2.0
174.99149	11.6
176.02290	2.4
176.04660	3.4
177.00684	7.7
177.04213	1.9
178.98648	2.8
179.02293	2.2
180.06522	2.1
188.04056	3.0
189.00868	2.1
189.02419	3.8
189.05975	2.1
191.04012	4.1
192.05408	3.1
193.00191	45.4
193.01898	2.5
198.00818	2.9
198.07620	6.6
198.11305	2.9
200.10423	2.3
201.00604	2.1
207.01764	2.9
210.06454	2.1
211.01192	7.8
211.02948	3.5
216.08673	7.7
216.10442	6.7
216.12323	5.6
216.14145	16.3
217.10710	7.2
217.12988	3.9
219.01762	2.2
229.04018	2.5
234.04562	3.3
234.06718	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	215.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.05509	47.5
56.05046	8.8
56.96563	10.0
57.07057	1.3
58.02952	1.7
58.93486	1.3
60.04516	3.8
67.05495	4.2
68.05022	4.4
69.03400	2.0
69.07052	3.1
69.83173	9.5
70.02937	3.9
70.06590	7.3
70.95856	4.5
71.04996	1.6
72.04517	3.4
72.08144	4.3
72.93784	10.1
73.02900	6.8
74.09728	2.1
79.05480	1.7
81.07059	4.6
82.06570	3.4
83.04945	2.0
83.06101	1.6
83.08614	38.7
84.04497	6.6
84.08128	4.8
86.02425	8.8
86.09686	4.0
87.05593	22.7
88.04018	8.5
90.94817	9.6
91.05478	2.6
93.07036	3.1
93.38984	1.4
95.04944	1.7
95.08611	1.7
96.04485	3.3
96.08095	2.3
98.21425	1.8
98.97554	1.9
99.00813	5.5
100.04002	10.5
100.04546	1.4
100.11253	21.0
101.09663	4.1
102.05527	7.3
108.08129	2.0
108.95837	4.1
109.10119	2.1
109.29875	1.7
110.06023	2.8
110.09676	94.6
112.11238	25.0
114.05540	1.8
116.98621	4.6
121.06492	1.6
124.11214	8.0
126.09126	2.1
126.12798	10.2
126.13595	2.2
128.07094	2.4
128.10678	2.1
131.08565	1.4
131.97440	3.7
132.95834	22.0
134.01221	2.5
134.99623	3.3
137.05988	4.1
145.07646	2.2
145.10124	1.8
148.02834	2.4
149.96104	5.3
149.98534	1.7
150.96881	97.3
151.97054	2.2
152.10704	26.3
154.12253	4.5
156.10197	100.0
157.10591	1.6
167.97113	8.5
168.97972	4.9
169.13354	34.1
170.08145	3.2
170.11766	44.9
173.98476	5.9
177.00716	2.1
177.67146	1.5
180.06793	2.4
191.97162	17.6
191.98984	1.9
191.99559	2.0
198.11247	74.2
199.11603	1.7
199.99883	1.6
209.98175	12.0
214.98782	1.9
215.03267	1.5
215.07135	1.6
215.10657	1.5
215.13928	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	215.1025
Annotation	5-(4,5-Dihydroxypentyl)uracil
Peak:m/z	Relative Intensity
52.93637	0.5
55.01863	0.9
56.05008	1.0
61.02929	8.5
62.70640	0.7
65.03931	2.4
67.04255	0.8
68.05029	2.1
71.03008	1.5
80.05012	7.0
82.06578	3.3
84.04514	0.8
86.39287	0.6
91.02286	0.9
92.04985	3.5
95.06089	9.2
97.07640	2.7
106.06544	3.0
107.06055	0.6
109.07624	3.2
110.06040	15.5
111.06804	0.8
119.06079	4.5
120.06911	0.9
121.07627	16.1
122.08408	3.8
123.05553	14.5
123.09178	11.6
124.06333	12.9
125.07112	26.6
132.06738	0.6
133.07611	33.0
137.07097	54.1
141.06604	2.3
148.06284	3.9
149.05969	1.1
149.07086	14.6
150.07848	2.0
151.08659	45.8
152.09030	0.9
153.06593	6.8
154.07324	1.1
161.07118	12.6
167.08150	6.0
179.08148	43.9
197.09209	23.4
215.10268	100.0
216.10605	1.4
221.51665	0.7
226.21901	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99051	21.0
53.46667	19.7
69.37344	21.6
70.23500	71.8
70.23908	45.0
89.06895	21.3
92.71239	21.4
93.09267	20.3
95.91308	19.2
98.16496	22.2
100.29747	21.1
118.03510	100.0
119.01896	78.6
119.86764	21.1
121.27534	21.3
121.71713	19.0
136.04562	74.7
137.02954	31.4
144.05043	47.5
145.04561	26.5
147.06123	42.4
161.04128	64.9
172.04509	35.2
173.04037	72.3
179.05196	23.9
188.04057	31.8
191.05193	73.3
195.78218	23.0
214.85025	69.6
215.05190	98.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.01851	0.9
55.05492	0.9
56.05026	1.9
56.96573	3.6
57.03429	1.3
58.06601	4.1
61.02638	0.8
61.02924	8.7
65.03931	2.2
67.04218	0.6
68.05025	2.8
69.03412	1.6
70.06593	4.6
70.11438	1.7
72.08148	5.2
73.02910	1.5
76.58047	0.5
76.66006	0.6
78.03436	1.5
78.70122	0.7
79.05497	0.8
80.05006	8.0
81.03411	1.4
81.05799	1.3
82.05325	0.6
82.06567	5.3
83.04967	0.8
84.04488	1.4
84.08134	2.7
85.02891	1.5
86.03681	0.7
92.05008	4.4
94.06569	0.7
95.06088	10.1
96.04478	1.5
96.06862	1.0
97.02901	0.7
97.07658	4.1
98.06056	1.3
98.09681	0.9
98.97591	1.3
100.07600	0.8
101.00871	1.3
106.06555	4.7
107.06092	0.8
109.07642	4.4
110.06038	16.1
111.05573	0.6
116.10738	0.9
116.98615	0.9
119.01920	6.2
119.06064	3.5
120.02009	0.7
120.06828	1.0
121.07627	15.6
121.08503	0.9
122.08430	3.9
123.05545	15.3
123.09185	10.0
123.10016	1.0
124.06338	16.9
125.07114	23.3
125.08038	1.1
128.07028	0.5
128.98605	0.6
131.01895	1.8
133.03458	2.3
133.07608	23.5
135.05443	0.6
135.59705	0.6
137.02924	2.3
137.07094	45.6
138.07849	1.7
140.07033	1.2
141.06564	2.3
147.05099	0.7
148.06284	3.9
149.05968	1.1
149.07101	14.3
150.07874	2.0
151.08661	40.0
152.09074	0.8
153.06590	7.5
154.07349	1.1
156.06425	0.6
157.03470	1.9
161.02939	2.0
161.07088	12.6
167.08183	5.5
169.09703	1.5
169.13356	16.2
170.08115	1.9
175.04474	4.3
179.08160	37.3
197.09210	21.0
215.10277	100.0
215.13771	30.5
216.10547	1.5
233.05106	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.05507	0.5
56.05032	0.4
56.96558	0.8
57.03439	1.4
61.02917	0.3
67.05515	0.3
68.05022	0.3
69.03432	0.3
69.07056	0.5
70.06591	100.0
70.95845	0.3
70.97503	0.6
71.06917	0.6
72.04494	0.2
72.93779	0.6
74.06053	0.3
79.05502	0.4
81.03415	0.4
81.07079	0.3
82.06569	0.5
83.04980	0.9
84.04496	0.6
86.09705	0.5
86.67426	0.3
90.94830	0.6
95.01972	0.4
95.04974	1.2
97.35125	0.3
98.98499	0.3
99.04453	0.3
100.07561	0.3
103.03937	0.8
110.06051	0.7
112.07603	42.8
113.07880	0.3
114.05518	0.3
115.21784	0.2
116.07103	1.0
116.98601	0.3
119.01939	0.4
128.03464	0.6
128.57361	0.3
132.95836	0.7
134.99580	0.4
137.07109	0.4
140.03421	0.3
140.07080	2.3
141.00063	0.7
150.96904	4.3
151.08653	0.3
154.08600	0.3
158.08139	1.0
163.73677	0.3
167.97160	0.4
168.10248	0.5
168.97963	0.4
172.09677	2.3
173.98518	0.4
182.08121	0.3
191.97133	0.6
196.09654	0.5
196.15216	0.4
209.98257	0.6
214.10730	12.0
214.14133	0.5
214.21611	0.4
215.10291	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1073
Annotation	Kainic acid
Peak:m/z	Relative Intensity
53.03932	4.2
55.01863	2.9
55.05501	2.4
56.96548	3.7
57.03417	2.5
67.05471	1.8
69.03442	1.1
69.07065	1.2
70.06602	1.4
70.23013	4.4
71.04980	1.0
72.93774	1.1
79.05485	1.6
80.04995	2.1
81.02988	1.2
81.03423	16.4
81.07028	3.5
82.06122	1.0
82.06577	13.3
84.04507	17.2
85.02902	1.3
90.94829	1.5
91.05476	5.3
93.07037	2.4
94.06590	5.6
95.04955	6.1
96.04475	1.8
97.02861	1.5
98.06055	7.2
98.97560	3.0
99.04465	1.2
105.07022	6.3
106.06573	1.8
107.04943	1.1
107.08570	2.4
108.07415	1.7
108.08116	18.0
109.06543	2.2
110.06039	65.7
111.04430	1.2
111.39588	1.0
112.07578	1.3
116.98601	3.4
119.04916	3.4
122.06017	7.3
122.09633	3.5
123.04407	1.3
124.07608	1.4
126.09161	2.1
132.95752	1.2
133.06491	6.7
134.06000	3.9
134.99617	2.5
136.07578	54.2
137.05956	2.2
139.03897	2.7
140.07054	9.9
141.00061	2.1
150.05479	2.4
150.09125	14.0
150.96867	9.0
151.03963	1.8
151.07521	1.3
152.10664	1.2
154.08624	100.0
155.08986	1.2
160.07533	2.5
161.05922	3.6
172.09651	2.3
177.00615	1.6
178.08621	12.6
182.08058	1.8
186.05521	1.2
196.09676	43.0
209.98247	1.6
214.10728	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	213.1484
Annotation	(-)-Helicascolide A
Peak:m/z	Relative Intensity
53.03944	2.8
55.01869	13.9
55.05511	87.9
57.03424	4.1
57.07063	4.0
59.05000	2.1
65.03932	2.8
67.05501	32.4
69.03441	10.7
69.07070	19.5
71.04994	67.4
71.08626	2.9
71.58685	3.2
76.09367	1.6
79.05493	22.5
81.03433	2.0
81.07056	41.4
83.04988	6.5
83.08620	45.8
85.02927	1.7
85.06551	9.2
85.10213	1.6
87.04468	9.1
88.07641	2.1
91.05488	12.2
93.07045	21.4
95.04961	2.7
95.08611	17.5
96.50203	1.7
97.06532	100.0
97.10171	61.8
99.08067	3.3
105.07033	9.3
107.04979	2.5
107.08591	24.4
109.06562	3.6
109.10157	15.6
111.08089	4.4
113.09652	3.7
115.05398	1.8
117.07047	5.7
119.08591	3.5
121.06518	4.7
121.10153	6.8
124.15730	1.5
125.09632	39.5
127.07624	2.0
128.06244	3.6
129.06996	4.9
131.08565	7.0
133.10144	7.5
135.08052	5.7
135.11690	5.4
139.03902	12.9
139.05482	2.3
141.07001	2.6
141.14664	1.6
142.07784	6.4
143.08534	8.1
145.10143	2.4
149.13260	5.9
152.06218	2.7
153.09088	2.2
153.12787	2.4
156.09355	4.5
157.06541	1.7
157.10143	13.9
159.11736	2.6
167.08572	4.2
167.14348	4.5
171.10303	1.6
171.11621	9.8
177.12744	7.5
184.05272	1.6
185.05910	2.6
185.09639	4.1
189.11240	7.4
195.08086	4.0
195.11920	2.8
195.13802	35.3
198.06944	1.8
213.05544	12.0
213.09221	9.6
213.12701	3.7
213.14853	60.8
213.16446	10.8
231.06433	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	213.1485
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
50.14813	20.4
51.39516	22.9
51.85322	20.2
55.01876	24.6
55.05496	19.8
56.96553	62.5
66.90966	21.0
67.05495	49.4
68.17016	20.0
69.07063	48.2
71.58797	35.6
73.46396	25.8
73.78545	22.3
78.28572	21.3
79.05479	42.3
81.07052	37.5
83.08614	26.6
86.45683	23.0
88.07633	31.3
91.05447	28.3
93.07027	55.5
93.10456	21.7
95.08590	46.2
105.07027	27.3
107.08619	33.6
119.08529	28.9
121.10133	24.2
129.06993	32.7
134.50278	21.5
142.07825	29.9
142.21400	23.2
143.08546	60.7
145.10127	24.4
157.10124	100.0
170.11058	24.0
171.11719	45.5
185.13379	30.4
213.05476	55.6
213.12752	29.8
213.14546	23.9
213.16409	94.1
231.09027	66.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1484
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
51.83705	0.8
53.03934	1.1
55.05508	20.4
55.59211	0.9
56.96551	1.3
57.03428	1.7
57.07074	10.4
67.05500	5.4
69.03412	1.9
69.07076	4.3
71.08595	0.7
71.90643	0.7
79.05486	4.1
81.07057	7.7
83.04984	10.2
83.08611	1.6
85.06544	6.6
88.07638	1.5
91.05460	4.1
93.07035	12.5
95.04961	3.1
95.08601	10.8
97.06532	6.9
105.07018	6.0
107.04974	0.9
107.08588	20.5
109.06496	4.8
109.10176	2.8
111.04438	100.0
111.08016	4.1
111.11757	1.0
112.04777	1.0
113.06014	2.0
114.31152	0.8
117.07024	2.4
119.08580	1.6
121.06503	3.4
121.10143	2.7
122.07281	1.7
123.08088	1.7
124.76813	0.8
125.05983	28.1
127.07558	3.9
129.06995	0.9
130.07768	1.4
135.08044	15.5
135.11684	22.5
137.05931	0.8
137.13258	2.1
139.07545	4.7
143.08615	1.8
145.10121	17.4
146.10342	0.7
153.12761	5.8
163.11177	21.0
169.25815	0.7
171.11732	0.9
181.12227	36.1
182.12621	1.1
195.13834	4.1
213.11871	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1121
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.03935	2.0
54.23116	0.6
55.01865	1.5
55.05496	1.7
56.96569	4.0
57.03429	0.8
65.03922	1.3
67.05493	1.6
69.03433	2.0
69.07040	1.4
70.06602	4.6
71.04993	0.8
71.57376	0.9
72.08167	2.8
73.02927	0.6
78.04709	3.3
79.05491	11.7
81.03390	1.5
81.07046	2.2
83.04994	0.6
83.06133	0.6
83.08622	0.6
83.82027	0.6
85.02898	0.7
86.09700	2.7
87.56575	0.5
88.07627	1.3
91.05482	6.6
93.07021	1.8
95.04974	4.7
97.02882	1.0
98.97577	1.5
99.04447	1.1
103.05483	9.0
105.03342	0.8
105.07027	6.5
106.04163	1.2
107.04954	65.0
107.08609	2.7
108.05279	1.1
109.02872	1.1
110.03669	0.8
111.04379	0.6
115.05443	4.4
116.07080	1.0
116.98610	1.8
117.07008	1.0
119.01855	0.9
119.08542	1.7
120.05736	1.9
121.06496	1.7
121.10112	1.2
122.03584	0.7
123.04427	8.1
123.08057	0.7
124.05246	4.1
125.02349	0.7
125.06037	2.9
127.03890	1.6
128.10710	0.6
128.98589	0.9
129.07001	1.1
131.04922	2.5
133.02837	0.6
133.06528	1.3
134.99641	2.6
135.04395	0.9
135.08063	16.3
137.02310	0.9
137.05963	1.7
139.03900	1.1
140.04628	1.3
145.07605	1.9
146.99628	1.9
147.04425	1.7
148.05081	0.7
148.97414	1.1
149.05936	0.8
151.03922	3.0
151.11012	0.6
151.21872	0.6
152.04683	2.2
153.01840	3.6
153.05508	1.0
154.02078	0.6
154.06288	2.0
155.02313	0.7
155.07129	0.8
157.06485	0.7
163.03848	1.4
163.07552	24.6
167.07039	100.0
168.04182	0.8
168.07236	1.3
177.00699	0.7
180.07808	3.3
190.01941	0.7
195.08568	0.4
195.10176	12.1
213.09206	1.3
213.11269	1.8
213.16386	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.112
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
50.66554	0.8
53.03940	3.4
55.01859	3.9
55.05498	3.7
56.96558	4.3
57.03447	1.5
57.07066	1.2
61.02909	1.2
65.03939	1.9
65.41048	0.8
67.05505	4.0
69.03419	4.5
69.07059	3.7
69.88983	2.2
69.89401	2.6
70.06586	2.4
71.01347	0.7
71.04974	1.7
72.08148	1.3
73.02877	1.6
77.00709	0.9
77.03886	1.3
78.04706	0.7
78.65306	0.9
79.05491	22.2
80.13800	0.8
81.03412	2.4
81.07055	7.2
83.04995	1.9
83.08607	1.7
85.02896	1.8
86.09689	1.8
88.07610	2.1
91.05479	33.8
93.07043	30.4
93.07629	2.0
93.30175	0.7
94.04163	1.0
95.01111	0.9
95.04964	9.2
95.08607	2.6
97.02879	1.6
97.06544	1.5
98.06049	0.8
98.21474	1.5
98.97581	1.4
99.04460	1.9
103.05463	2.3
105.03397	1.0
105.04496	1.7
105.07028	36.7
107.04959	32.0
107.08592	54.0
109.02843	2.1
109.06493	4.7
109.10145	1.4
110.03641	3.6
110.06036	1.7
111.04431	3.6
111.08060	2.0
115.05457	1.8
116.06217	3.9
116.07000	1.0
116.98621	2.1
117.06997	3.1
119.04930	4.5
119.08579	100.0
120.08890	1.4
121.06498	6.9
121.10147	33.7
122.03653	1.5
123.04420	2.1
123.08078	4.1
124.05212	7.2
125.05978	5.8
125.09637	1.5
127.03890	2.2
127.05628	0.8
128.06238	1.2
129.07004	4.5
131.08571	32.6
133.02855	5.2
133.06505	11.6
133.09221	1.6
133.10126	13.8
134.99619	2.4
135.04408	14.2
135.08040	11.7
137.05952	2.3
137.09534	1.7
139.07549	10.0
140.04643	4.7
140.99947	0.9
141.05411	1.4
141.32805	1.1
143.08572	0.9
146.99608	1.1
147.08043	16.7
148.97359	1.6
149.02365	1.0
149.05966	3.3
149.09618	49.8
150.03094	3.6
151.03905	12.3
151.05006	1.5
151.07536	7.5
152.04723	6.2
152.05914	1.3
153.01831	1.6
153.05472	7.4
153.09109	1.7
154.08633	3.0
155.07025	2.1
157.10046	0.9
159.08066	7.0
163.03903	24.1
165.01855	6.9
165.05467	5.5
165.06793	1.0
165.09106	18.2
167.03439	2.1
167.07048	18.6
167.08441	1.4
167.10675	12.9
177.05478	2.4
177.09105	48.1
180.04187	6.1
185.09581	1.2
189.55688	5.4
195.06551	21.9
195.08421	1.7
195.10179	29.8
196.26617	0.9
213.05495	1.8
213.09120	2.3
213.11160	20.0
216.05487	2.7
218.96991	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1121
Annotation	Melazolide A
Peak:m/z	Relative Intensity
53.03918	3.5
55.01877	2.5
55.05507	5.9
56.96572	5.8
57.03424	2.1
58.97344	1.1
59.04976	2.4
59.91138	1.4
61.02910	1.2
63.25551	1.0
65.03936	10.0
67.05165	1.1
67.05505	8.5
69.03431	6.2
69.07060	6.3
70.06556	3.8
71.04980	2.3
71.57682	2.0
73.02906	1.6
79.05075	1.6
79.05495	24.2
81.03381	3.8
81.06647	1.7
81.07054	16.7
82.04167	1.8
83.01291	1.2
83.04969	1.7
83.08588	2.1
85.02896	4.0
85.06536	2.1
88.07587	1.7
91.05482	30.6
92.02595	1.6
93.03383	3.9
93.07047	21.7
94.04185	7.0
94.07320	1.5
95.04961	7.5
95.08609	15.7
97.02871	3.8
97.06512	2.9
98.97591	9.5
103.05435	1.8
105.04463	1.3
105.07026	29.3
107.04960	9.3
107.07877	2.8
107.08591	54.9
109.02881	1.3
109.05918	1.6
109.06523	20.8
109.10136	3.1
110.03600	1.7
111.04437	7.6
111.08054	4.0
113.05969	1.8
113.62855	1.2
115.05407	1.2
116.98608	8.0
119.04917	8.1
119.05743	1.4
119.08559	7.6
119.74966	1.1
120.02058	3.1
121.02840	5.8
121.06471	5.0
121.10141	100.0
122.10465	1.5
123.04371	1.5
123.07215	2.5
123.08072	49.0
123.11665	2.7
125.05972	6.3
125.09636	9.9
127.03913	2.3
127.07481	1.9
128.06155	1.6
128.98547	1.5
129.06995	3.5
131.08566	12.4
133.06499	1.6
133.07579	1.2
133.10075	3.5
134.99657	6.6
135.08032	7.1
135.11710	3.0
137.05934	3.9
138.03073	2.1
138.06618	1.4
139.03891	13.9
139.11209	1.8
140.04671	1.4
141.06998	1.6
142.07764	2.9
143.08603	1.7
145.10075	1.8
146.99582	2.4
147.07990	1.6
147.11673	1.8
149.02357	2.0
149.09618	67.7
151.07497	2.9
151.11165	1.5
153.00671	1.3
153.01752	1.7
153.05435	2.7
153.09055	2.2
154.06242	51.1
155.06532	1.5
157.06339	1.3
157.10081	4.1
158.99586	1.4
159.07999	1.8
165.05510	2.7
165.06828	1.6
166.02608	5.1
167.06984	4.3
167.08490	2.9
167.10681	15.9
169.07309	1.9
169.08607	30.6
170.07246	1.5
171.06467	2.3
171.11647	3.7
177.00687	4.5
177.09103	83.4
177.16447	1.9
178.09492	1.3
180.07765	2.4
181.04955	64.5
184.03673	2.7
185.05927	1.6
185.09578	2.2
195.08380	1.4
195.10159	36.6
196.13322	1.4
213.05397	3.1
213.09116	5.5
213.11160	41.5
213.16536	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0757
Annotation	Vanillactic acid
Peak:m/z	Relative Intensity
53.03943	3.4
55.01862	1.5
55.05496	1.4
56.05026	1.3
56.96555	2.4
56.96806	0.6
57.07074	0.8
59.06120	1.1
65.03926	2.4
67.05497	3.1
68.30223	0.6
68.99791	0.8
69.03410	1.8
69.07062	2.1
69.42902	3.3
69.43314	2.3
70.06585	3.1
71.05001	1.5
72.08134	0.8
72.78395	0.7
73.02914	0.7
77.03938	0.9
78.04698	2.4
79.05062	0.8
79.05499	12.1
79.64570	0.6
81.03410	2.7
81.07046	2.6
82.06593	1.1
83.04971	1.1
83.08583	0.9
84.04489	1.2
85.02904	1.8
88.07628	1.3
89.03901	2.0
91.05487	3.9
93.03387	1.0
93.07045	2.4
93.29908	0.7
94.04180	1.4
95.04966	12.3
95.08579	1.9
97.02881	2.3
97.06532	1.3
97.10161	0.6
98.06053	0.6
98.97578	2.0
99.04443	1.5
105.03375	1.3
105.04523	1.5
105.07049	1.6
106.04179	1.0
107.04955	69.0
107.08579	3.2
108.05307	1.3
108.08108	1.3
109.02859	1.3
109.06496	2.2
109.10161	0.8
110.03690	3.1
110.06052	4.0
111.04456	1.4
116.98625	2.5
119.04953	1.7
119.08601	1.7
120.02100	0.7
121.02873	0.6
121.06492	0.9
121.10176	1.9
121.40974	0.6
122.03638	2.7
122.05990	1.3
123.04434	13.2
123.08115	0.8
124.05222	1.4
125.02362	8.9
125.05997	2.1
125.09627	0.8
126.06548	0.6
127.03876	1.2
129.06972	1.3
131.08539	0.9
133.02904	1.9
134.99675	1.7
135.04420	20.1
135.05429	1.4
135.08081	1.5
136.07584	3.2
137.05984	8.0
138.06525	0.6
139.03886	1.9
139.07596	0.7
140.04684	100.0
141.05038	0.9
145.03996	4.0
146.99608	0.6
147.08035	0.8
148.97374	1.5
149.06042	1.3
149.09615	1.5
150.03085	0.8
150.09210	1.3
151.03909	4.7
152.04668	1.7
153.05458	2.3
153.07025	0.5
154.08644	5.9
155.07031	41.5
157.06519	0.9
159.08084	0.7
163.03906	52.8
164.04312	0.9
165.05501	1.5
167.03394	1.3
167.07051	34.0
167.08456	1.4
168.07410	1.1
173.08124	6.6
177.00642	1.2
177.05568	0.7
178.08588	0.8
180.04181	1.0
181.04942	1.6
185.05959	0.8
185.09673	0.6
195.04831	0.7
195.06506	8.6
195.08102	0.8
196.09723	3.6
213.05553	1.5
213.07568	5.0
213.09149	1.5
213.11110	0.9
214.10754	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.9
55.01876	4.6
55.05220	1.6
55.05515	5.2
56.05038	5.1
56.96565	15.7
57.03437	3.5
57.07069	1.9
58.06606	2.5
61.02922	12.7
65.03934	11.4
67.05503	6.7
68.05024	2.7
69.03417	6.3
69.07064	9.3
70.06593	32.6
71.04990	2.2
71.21147	5.3
72.08157	4.4
73.02914	2.9
75.48528	2.2
76.87730	2.1
78.03457	2.6
79.05491	24.1
80.05015	5.4
81.03435	5.3
81.07047	4.7
82.02945	8.3
82.06584	3.6
83.04994	2.7
83.06123	2.5
83.08607	2.8
84.04509	10.8
84.08157	4.8
85.02914	5.7
85.06534	2.2
86.09708	5.4
88.07635	5.1
88.12096	1.9
89.03916	3.5
91.05460	9.6
93.03420	4.7
93.07052	5.5
94.06577	5.7
95.04960	12.6
95.08607	4.0
96.08087	2.2
96.25784	1.9
97.02916	2.9
97.06554	4.8
98.06047	3.4
98.97585	5.2
105.03397	2.7
105.07087	3.5
107.04951	34.6
108.02123	3.7
108.04500	2.2
109.06544	4.6
109.07661	3.7
110.03667	29.8
110.06039	3.3
110.09693	2.2
111.04455	23.6
111.05592	2.2
112.07616	7.5
116.07110	2.5
116.98650	4.0
117.03433	3.6
119.01984	2.1
119.04982	3.3
121.02872	2.4
121.06531	10.9
121.07660	6.5
122.03650	8.0
122.06049	2.7
122.08414	16.2
123.04420	3.9
123.05563	3.4
124.05223	2.0
124.06339	10.1
124.07643	2.4
125.02374	3.1
125.05084	2.8
125.05997	58.1
125.07117	8.3
126.05464	2.1
127.03906	2.7
133.02861	9.2
134.05925	2.5
134.99683	5.6
135.04425	28.7
136.03946	11.8
136.11259	4.8
137.02969	2.1
137.05997	7.9
137.07137	13.3
139.03963	3.2
140.03452	5.5
140.04640	3.3
141.05469	6.4
146.99663	2.5
148.97441	4.9
149.06003	30.3
149.07143	13.0
149.09595	2.1
150.03122	9.1
151.03917	100.0
151.05057	16.0
152.04332	2.3
153.05484	15.1
153.06642	26.6
153.07654	2.4
154.05023	2.3
162.03227	2.4
163.03883	12.6
165.05515	39.7
165.06680	8.7
166.06175	2.2
167.03400	2.5
167.07080	18.6
167.08263	6.8
177.05394	17.4
177.07909	3.3
182.04488	36.2
183.07672	13.1
185.06180	2.4
195.06572	12.1
195.14946	18.9
213.05521	4.4
213.08784	70.1
213.12270	3.1
213.16116	6.3
214.07104	77.2
214.10706	4.2
231.09024	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0758
Annotation	Vanillactic acid
Peak:m/z	Relative Intensity
51.02375	1.8
53.03942	4.4
55.01867	4.7
55.05506	4.9
56.96564	10.3
57.03429	3.4
57.76495	1.4
59.06108	1.5
65.03938	5.7
67.05510	3.8
68.99778	2.1
69.03432	4.6
69.07063	3.4
70.06587	7.3
71.04984	4.6
71.58059	1.5
71.58435	1.7
72.08162	2.3
72.59924	1.8
77.03922	3.1
79.05494	36.3
81.03413	6.0
81.07049	9.9
82.06564	2.7
83.04965	3.7
83.08604	2.6
84.04502	2.5
85.02911	3.7
86.21906	1.8
88.07639	3.3
89.03896	2.9
90.75717	1.6
91.05476	20.1
93.07048	5.6
94.04184	5.0
95.04967	19.4
95.08633	3.3
97.02891	3.0
97.06541	3.1
98.05981	1.7
98.97588	4.3
99.04455	3.9
105.03383	1.7
105.07040	5.0
107.04952	100.0
107.08601	8.6
108.05276	1.7
109.02886	4.3
109.06487	4.6
110.03665	1.8
110.06046	2.4
110.07201	1.9
111.04415	3.8
111.08052	3.8
113.06038	1.9
113.28306	1.7
116.98616	4.1
119.04973	4.4
119.08588	11.2
121.02865	6.1
121.06472	4.5
121.10155	3.9
122.03648	2.4
123.04440	4.8
124.05207	29.2
125.02378	2.5
125.05985	9.0
127.03920	4.9
131.08554	5.2
133.02858	19.9
134.99670	4.8
135.04424	34.2
136.07645	2.3
137.05972	4.5
139.07524	37.7
140.04681	23.4
141.05502	2.5
142.07829	1.8
145.03983	1.9
147.08080	2.7
148.97377	5.5
149.05984	2.1
149.09659	4.7
150.03085	11.3
151.03905	15.7
152.04703	24.0
153.00706	1.9
153.05458	6.4
154.08679	3.7
155.07011	11.6
163.03908	76.2
164.04530	3.2
165.01842	26.6
165.05487	2.6
165.09174	2.4
167.03358	5.2
167.05637	3.1
167.07048	62.7
167.08414	2.5
177.00717	2.3
177.05522	2.0
177.09108	2.2
180.04164	23.8
195.06528	76.8
195.08052	2.7
195.10115	3.0
196.09543	2.7
213.05490	5.4
213.07373	3.1
213.09265	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	213.0756
Annotation	Vanillactic acid
Peak:m/z	Relative Intensity
51.02386	1.9
53.03944	4.3
55.01858	4.6
55.05503	5.2
56.05021	1.8
56.96569	11.7
57.03426	3.3
65.03925	5.4
67.05502	8.3
69.03413	6.7
69.07050	5.9
69.31683	2.8
69.32090	12.6
70.06580	5.2
71.04980	2.0
72.08147	1.8
73.02895	4.9
74.03642	1.8
77.03909	3.0
79.05494	41.0
81.03400	4.5
81.07043	9.2
83.04983	3.1
84.96030	1.5
85.02893	4.0
86.09679	1.9
91.05479	42.7
93.07041	31.9
93.57227	1.6
94.04184	3.8
95.04966	18.4
95.08588	6.1
97.02898	7.0
97.06492	2.9
98.20801	3.0
98.97563	3.3
99.04449	3.6
103.05451	1.5
105.03379	2.8
105.07030	39.1
107.04952	98.2
107.08588	60.2
109.02863	5.2
109.06515	10.9
110.03638	6.2
110.97646	1.8
111.04436	5.2
111.08047	1.9
115.05462	2.3
116.06236	3.6
116.98630	3.5
117.07025	2.7
119.04936	4.8
119.08578	100.0
120.02070	1.8
121.06514	8.0
121.10142	38.2
122.03644	4.0
123.04412	7.0
123.08048	4.5
124.05215	25.1
125.02302	1.7
125.05991	13.8
125.09605	1.8
127.03899	3.9
127.04846	1.4
128.98650	1.7
129.06978	4.9
130.99998	1.4
131.07579	2.4
131.08569	38.7
133.02846	15.2
133.06474	12.7
133.10130	12.0
134.99637	4.0
135.04416	30.9
135.08020	12.4
137.05975	6.7
139.03880	3.1
139.07547	34.7
140.04675	14.2
142.04132	1.6
142.08618	1.7
145.03952	2.1
146.99628	3.6
147.08025	17.2
149.05936	4.3
149.09618	48.4
150.03134	15.6
151.03897	21.4
151.07564	7.7
152.04674	18.3
153.05470	10.1
153.09050	2.1
155.07040	7.8
157.06354	3.0
157.10094	1.6
159.08025	7.6
161.01112	2.5
163.03899	75.4
164.04434	2.6
165.00668	1.7
165.01854	25.4
165.05475	5.8
165.09103	18.3
167.03354	3.1
167.07048	52.7
167.08469	2.3
167.10634	13.4
169.04938	3.6
175.35678	1.4
177.05591	3.5
177.09093	52.8
180.04182	21.8
180.55222	2.8
182.45486	1.7
185.09677	2.6
189.55681	14.1
195.06522	75.5
195.10153	34.8
201.06506	2.8
213.05522	3.4
213.07411	3.7
213.09285	3.4
213.11134	21.8
214.07243	1.5
216.05473	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	212.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21961	3.2
52.88971	2.7
55.05507	39.1
56.05037	35.8
56.96553	9.8
57.07073	7.3
58.02945	4.7
60.04515	6.3
66.89722	3.1
67.05505	30.5
68.05007	5.2
69.03417	4.7
69.07067	28.3
69.36264	17.4
69.36697	14.6
70.06575	5.1
71.08619	8.7
72.04512	5.7
72.08138	4.1
79.05488	17.4
80.05010	4.9
81.07062	22.7
82.06578	12.3
83.04963	9.1
83.08624	21.8
86.06062	5.0
91.05484	7.0
93.07032	16.3
95.08604	18.3
96.08114	4.8
97.06525	6.0
97.10154	9.6
105.07010	3.4
107.08578	9.1
109.10165	6.3
116.98594	5.2
121.10149	5.5
128.06213	3.2
129.06976	4.4
134.99615	7.8
142.07693	4.1
157.10112	7.5
169.06613	3.6
170.10901	3.6
171.11766	4.3
174.49403	3.4
180.09285	3.0
182.19044	24.2
187.40759	3.6
194.08253	3.4
194.19142	16.6
212.05205	4.3
212.07133	3.9
212.09064	4.0
212.16763	5.3
212.20096	100.0
213.05528	10.0
213.12764	6.1
213.16420	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	212.0918
Annotation	CJ 14877
Peak:m/z	Relative Intensity
53.03942	0.7
55.01883	0.9
55.05494	0.5
56.05029	0.7
56.96292	0.6
56.96565	10.8
57.03428	0.6
58.06588	0.6
58.96148	0.5
60.95811	0.4
61.02916	1.0
65.03941	0.6
67.05499	1.1
68.05023	1.2
68.99780	0.5
69.03430	2.9
70.06266	0.5
70.06590	2.7
71.01344	0.5
71.05003	1.0
71.56940	0.5
71.57349	0.5
71.95264	0.5
72.04500	0.4
72.08162	0.5
73.02913	1.0
73.62807	0.3
77.00940	0.4
77.03913	0.4
79.05502	1.8
80.05022	2.4
80.05815	0.5
81.03410	1.8
81.07039	0.7
82.02944	0.4
82.06583	1.5
83.04996	0.7
84.04513	1.1
84.08176	0.8
84.31042	0.4
84.96035	0.8
85.02903	1.4
86.06087	0.9
90.84388	0.3
91.05479	3.5
93.03392	0.4
93.07046	0.8
94.06575	1.1
95.04969	1.7
95.06112	1.1
95.07359	0.5
95.35455	0.4
96.04475	1.3
96.08124	1.1
97.02876	3.0
97.06547	0.4
97.07652	1.7
98.06039	2.1
98.97585	3.0
99.04436	0.7
99.05588	0.6
103.05484	1.1
105.07021	0.7
106.06557	1.5
107.04960	2.0
108.04481	1.1
108.08105	0.9
109.02861	0.6
109.06524	0.6
109.07599	0.4
109.08921	0.4
110.06036	1.0
110.09659	0.4
111.04420	1.0
111.05595	1.0
112.07612	1.4
113.02403	0.5
116.07096	0.7
116.98609	4.0
118.06623	0.5
119.01948	2.8
119.04958	2.9
120.04478	0.3
120.08129	2.0
121.01627	0.4
121.02884	0.5
121.06496	1.7
121.07630	1.0
122.06034	1.1
122.06845	0.5
123.04406	1.0
123.05523	0.9
123.06834	0.8
124.03940	0.5
124.06330	2.8
124.07610	3.1
124.11140	0.5
125.02462	0.4
125.06015	1.2
125.07121	2.9
126.05524	1.0
127.03923	1.0
128.98615	0.6
130.06519	0.4
131.00157	0.9
131.01900	0.9
131.04932	1.4
132.08051	0.6
133.01718	0.7
133.03508	0.4
133.05240	0.4
133.06496	0.4
134.06018	20.1
134.99673	4.0
135.06300	0.4
136.07568	4.8
137.02940	0.8
137.05978	4.1
137.07077	1.1
137.08290	2.2
138.05496	2.1
138.06436	0.6
138.09148	2.4
139.05008	1.2
139.08701	0.5
140.03842	0.4
140.84534	0.4
141.06592	0.4
143.01918	1.3
145.01750	0.4
145.03450	0.7
146.99637	0.8
147.04390	3.9
148.03868	0.8
148.04939	0.4
148.07574	7.8
149.01227	1.1
149.02950	0.6
149.05975	5.9
149.07112	4.1
149.07990	0.6
150.05322	0.5
150.06372	0.6
150.09105	0.7
151.05028	0.9
151.07506	0.6
152.07062	28.9
152.08208	16.8
153.00745	1.2
153.05470	1.9
153.06595	2.5
153.07619	0.8
154.08522	0.7
158.01270	0.7
158.06630	1.0
158.99640	0.6
160.07600	0.9
161.01193	2.3
161.02954	3.0
163.02718	0.7
163.04259	0.6
164.07062	0.8
166.05013	1.3
166.08635	33.9
167.07014	0.6
167.08081	2.2
168.06555	1.1
169.04855	0.5
170.08224	0.6
173.02982	0.7
175.04620	0.5
176.07034	6.9
177.00691	0.5
177.05418	1.5
177.06729	1.3
177.10242	0.8
178.08672	1.0
179.02260	1.0
179.07045	0.9
183.07664	1.3
188.02383	0.5
188.07695	0.7
189.00688	1.2
191.02351	0.4
194.04515	4.8
194.08125	100.0
195.02956	0.7
195.04936	0.7
195.06444	0.8
195.08249	3.5
195.11343	1.5
207.01837	1.8
212.05727	1.2
212.09062	39.3
212.16269	0.7
213.08662	6.0
213.12341	1.2
221.05240	0.5
230.08795	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.4
56.05036	3.4
57.03441	0.6
61.02918	0.6
67.05494	0.3
69.03416	0.4
70.06604	1.2
70.28291	1.0
73.02928	0.5
77.00909	0.2
81.80904	0.2
82.06577	0.4
83.55137	0.2
83.96404	0.3
84.04495	0.3
84.08145	100.0
85.02891	0.5
85.08476	1.0
95.85880	0.2
100.02519	0.4
101.00846	0.5
103.02444	0.6
112.07600	2.1
118.03548	0.3
119.01933	1.9
121.03464	0.3
121.06504	1.4
128.59224	0.3
131.01865	1.1
133.03506	0.3
135.04970	0.4
137.02940	0.7
138.05531	0.2
142.03496	0.2
143.01846	0.2
145.03452	0.6
147.01398	0.6
149.02898	0.3
158.06624	0.5
160.04567	0.3
160.08214	0.3
161.02982	0.7
165.02438	0.4
166.07092	0.2
168.06575	0.3
170.03003	0.6
170.06645	0.7
173.02940	0.3
175.04520	0.2
176.07727	0.5
177.02487	0.2
184.04559	0.8
184.06532	0.3
184.08185	5.0
185.02982	0.6
186.06219	0.3
188.07697	0.5
189.02460	0.3
194.06624	0.5
196.07094	0.2
202.05594	0.3
202.09224	3.0
203.04126	0.2
203.18156	0.2
207.03438	0.4
212.07677	10.4
212.09889	0.5
213.07829	0.4
224.37401	0.2
230.08749	21.5
231.08926	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03926	0.9
55.01861	1.6
55.05512	17.5
57.03434	7.5
57.07074	6.1
58.59126	0.5
59.04987	2.3
62.45127	0.5
65.03939	1.8
66.38979	0.5
67.05503	39.8
68.99779	1.9
69.03431	11.3
69.07066	17.1
69.54103	4.5
71.04997	4.5
71.08616	1.5
79.05491	7.8
81.03419	4.4
81.07055	34.9
83.04980	16.8
83.08621	11.0
85.06541	11.1
91.05479	7.7
93.07044	13.6
95.04971	5.4
95.08606	42.2
97.06526	2.4
97.10158	3.0
99.04491	0.8
99.08088	5.9
105.07032	9.2
107.04965	1.5
107.07868	1.4
107.08594	28.6
109.06517	20.4
109.10154	100.0
110.10490	1.5
111.04387	1.0
111.08067	4.6
113.09658	1.8
117.07021	1.0
119.08577	23.5
121.06538	0.7
121.10142	12.9
123.04447	7.8
123.08067	21.3
123.11694	9.9
125.09619	3.1
127.03918	3.4
127.04704	0.5
127.07569	4.9
127.11186	0.9
129.06979	0.9
131.08546	1.9
133.10135	19.0
135.11691	59.4
136.11993	1.1
137.06010	1.2
137.09613	18.8
138.10367	0.8
139.03888	1.6
139.11206	2.4
145.10197	0.7
147.08095	1.0
147.11676	3.4
149.13269	5.5
151.03903	1.6
151.07556	1.3
151.11180	11.0
151.14821	12.5
153.05402	0.5
153.12747	2.6
155.03392	1.8
164.04698	0.9
165.09122	7.0
165.12828	0.6
165.16403	1.8
167.07091	0.9
175.07587	1.7
175.11214	0.8
175.14824	17.8
179.07083	0.9
193.08632	14.3
193.12271	1.2
193.15880	13.7
211.09671	4.8
211.16913	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03930	2.7
55.05514	24.7
57.03426	6.1
57.07060	7.2
59.04990	3.6
62.23375	1.6
63.46267	1.5
65.03930	1.8
67.05502	41.3
69.03423	17.0
69.07059	22.5
69.31709	9.6
69.32135	7.6
71.04989	9.5
71.08619	2.0
74.47996	1.7
79.05492	9.8
81.03415	6.2
81.07054	40.4
83.04984	15.9
83.08636	11.5
85.06535	11.1
91.05504	11.0
93.07049	20.0
95.04958	8.5
95.07982	1.9
95.08607	59.9
97.06531	4.2
97.10136	4.7
99.08067	6.3
105.07035	16.8
107.08599	33.6
109.06512	16.2
109.10156	100.0
111.08073	6.5
113.09666	1.9
119.08582	23.9
121.10139	16.6
122.56189	1.6
123.04411	8.4
123.08064	16.8
123.11682	11.3
125.09633	10.3
127.03938	2.3
133.10136	22.5
135.11688	57.9
136.11990	2.6
137.06044	1.8
137.09587	17.2
139.03902	3.4
139.11168	2.7
139.55629	3.2
147.11705	4.7
149.13255	5.7
151.03914	5.9
151.07574	2.4
151.11182	13.5
151.14851	10.6
153.12752	3.6
155.03401	14.3
163.14795	1.9
165.05428	4.8
165.12651	2.7
165.16356	2.4
167.07047	6.7
169.10109	3.4
169.45447	1.7
175.14830	18.3
193.08614	6.1
193.15858	20.1
205.98901	1.8
211.07707	2.6
211.09622	8.8
211.14833	3.3
211.16884	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	211.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57780	2.1
53.03941	6.4
55.01856	7.7
55.05510	54.0
56.20381	2.1
56.20671	2.1
56.96556	9.4
57.03436	28.1
57.07072	13.0
59.05001	15.8
65.03931	4.9
67.01408	2.2
67.05506	63.1
67.45760	2.2
68.99800	4.2
69.03427	12.5
69.06720	3.9
69.07067	47.1
71.04994	84.0
71.59241	2.9
71.59674	3.1
79.05060	3.2
79.05495	43.4
81.03419	74.0
81.07057	94.8
83.04983	41.5
83.08619	37.4
85.06543	31.6
87.04477	2.6
91.05483	44.7
92.24239	2.1
93.06471	4.7
93.07040	70.3
95.04964	34.4
95.08605	81.4
97.02859	3.2
97.06525	31.1
97.10192	12.1
98.06072	4.1
99.04450	8.1
99.08096	17.4
100.07618	2.1
105.03334	2.2
105.07026	38.0
107.04945	8.6
107.08594	50.9
108.08923	2.3
109.06522	22.6
109.10152	39.4
111.04448	2.7
111.08047	13.4
113.05955	3.2
113.09682	5.4
115.07546	11.5
116.98598	3.3
117.06998	4.9
119.05025	2.9
119.08583	49.9
121.06507	3.5
121.10136	32.0
123.04435	31.2
123.08054	18.2
123.11704	100.0
125.06010	2.7
125.09638	9.7
127.03924	6.9
127.07562	15.8
128.06184	2.5
129.07022	11.9
131.08578	13.7
133.06534	3.9
133.10132	39.2
135.10686	4.2
135.11694	75.0
137.05965	6.3
137.09619	14.9
137.13257	11.5
139.03905	8.1
141.07016	3.7
141.09093	6.9
141.12727	6.8
147.08051	3.4
147.11673	13.4
149.05942	2.7
149.09599	5.4
149.13248	13.3
151.03915	11.7
151.07495	4.0
151.11171	6.8
151.14856	2.5
153.12784	15.2
155.03395	28.7
155.08542	6.8
155.10550	10.5
157.10147	11.2
163.97749	5.3
165.05476	5.3
165.06863	3.2
165.09169	13.6
165.12773	5.2
167.07045	12.1
167.08359	3.7
167.14328	5.9
169.04984	3.3
169.10066	12.6
172.17911	2.1
175.07520	4.8
175.11220	10.8
175.14828	45.0
181.10173	9.2
181.98773	5.0
182.10907	2.7
183.11697	6.1
193.08635	30.5
193.12321	18.8
193.15894	14.0
196.12450	10.2
205.98744	6.3
211.05838	3.2
211.07611	4.8
211.09630	20.6
211.13208	7.3
211.14836	18.6
211.16925	58.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03940	3.1
55.01884	2.6
55.05516	19.7
56.96571	14.0
57.03440	4.4
57.07085	8.8
57.32424	1.6
59.05000	4.6
64.26473	1.5
66.15435	1.4
66.33880	1.6
67.01856	4.3
67.05507	39.6
68.99811	3.3
69.03424	12.0
69.07072	22.6
70.61382	6.0
71.04990	8.7
71.08612	2.4
79.05479	8.9
81.03421	6.0
81.07058	38.3
83.04988	16.0
83.08618	11.5
83.93256	1.7
85.02911	3.7
85.06546	9.9
91.05495	11.6
93.07047	18.7
95.04990	9.3
95.08609	46.3
97.02910	2.2
97.06538	3.8
97.10169	2.4
98.20831	1.9
99.04455	2.5
99.08114	5.7
105.07039	14.6
107.04931	2.7
107.08594	29.8
109.06519	16.4
109.10160	100.0
111.08084	6.4
113.09661	2.5
116.98667	2.6
119.01938	2.0
119.08595	23.8
119.19524	1.6
121.10144	15.4
123.04430	24.0
123.08071	19.4
123.11726	11.1
125.09668	2.1
127.03924	7.5
127.07610	2.5
128.81670	1.8
129.07027	2.5
129.24139	2.1
131.08572	2.7
133.06473	2.1
133.10132	23.1
134.99677	2.1
135.11694	64.9
136.12041	2.0
137.09608	17.5
139.03920	15.7
139.11115	2.6
140.11894	1.5
147.11682	3.4
149.13324	6.0
151.03915	21.4
151.07562	3.2
151.11124	12.1
151.14810	13.2
153.05493	2.7
153.07053	2.8
153.12752	3.2
155.03392	62.6
161.02977	2.1
163.97804	3.0
165.09042	2.4
165.16409	2.7
167.07051	9.4
167.08374	2.2
168.09377	3.3
169.05034	3.5
169.10114	2.0
175.11185	2.4
175.14841	18.4
181.98775	2.2
183.11681	2.2
191.63072	1.5
193.08672	11.0
193.10181	2.6
193.15843	16.0
205.98816	2.9
211.06010	1.8
211.07690	1.8
211.09619	38.5
211.11151	2.7
211.14870	3.7
211.16988	5.1
217.07399	3.0
229.07524	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	211.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.01860	1.0
55.05511	9.8
57.03434	2.5
57.07074	8.7
59.04999	3.7
65.03935	1.5
67.01868	3.3
67.05502	25.2
68.99777	4.6
69.03427	6.8
69.07066	8.7
69.07419	1.0
69.60110	1.4
69.60519	3.3
71.01397	0.5
71.04995	2.5
71.08630	0.9
79.05492	5.4
80.34376	0.5
81.03415	5.2
81.07053	19.6
82.01997	0.5
83.04979	7.9
83.08615	5.4
85.02895	0.9
85.06009	0.8
85.06536	12.4
91.05479	5.0
93.07042	7.7
95.04963	7.5
95.08604	22.6
97.02834	0.7
97.06522	1.6
97.10149	1.6
99.04462	0.9
99.08105	3.1
105.07019	5.1
107.04993	1.1
107.08595	14.4
109.02867	1.6
109.06519	10.2
109.10154	42.9
110.10484	0.8
110.72298	0.6
111.04456	1.1
111.08075	1.7
113.05979	0.5
113.09659	1.0
114.82954	0.6
117.07063	0.6
119.04959	0.8
119.08575	12.5
121.06509	0.7
121.10137	5.3
121.70202	0.6
123.04427	38.6
123.08065	8.5
123.11716	5.1
124.04750	0.6
125.09617	3.2
125.75971	0.5
127.03913	14.1
127.07553	5.5
127.11185	1.0
132.65623	0.5
133.10130	9.5
135.11691	25.5
136.12053	0.5
137.02367	0.9
137.05952	3.0
137.09608	7.6
137.13246	0.6
139.03900	26.8
139.11179	1.6
141.09033	0.7
147.08034	1.5
147.11687	1.0
149.05923	0.6
149.13275	2.9
151.03903	39.5
151.07518	1.4
151.11154	4.0
151.14786	5.0
152.04143	1.1
153.01840	4.9
153.05461	3.0
153.12680	1.2
155.03387	100.0
156.03737	2.6
157.06676	0.5
157.10118	0.8
164.04677	1.6
165.05443	2.6
165.09140	3.5
165.16403	0.9
167.07019	3.8
167.08328	0.8
169.04958	5.6
169.08595	1.0
169.10066	0.6
175.07509	2.4
175.14809	6.5
178.06223	0.8
179.06912	0.6
193.08612	18.5
193.12274	1.0
193.15883	7.5
194.08864	0.8
211.09651	54.5
211.14980	1.1
211.16907	1.5
212.09995	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.96619	1.4
55.05515	13.8
57.03432	1.7
57.07085	6.7
59.04994	3.3
67.05503	26.5
69.03421	9.4
69.07068	18.1
71.04986	3.4
71.13222	3.7
79.05500	7.4
81.07055	29.9
83.04986	14.2
83.08626	9.9
85.06546	5.1
85.93745	1.4
91.05481	4.5
91.51531	1.4
93.07032	12.2
95.04980	5.8
95.08610	46.4
97.06562	1.7
99.08110	3.9
105.07037	10.1
107.08601	23.9
108.23749	1.4
109.06530	13.4
109.10157	100.0
109.23606	1.3
111.08065	6.8
113.09616	1.5
119.08585	23.1
121.10134	11.1
123.04437	18.1
123.08051	14.6
123.11687	10.8
125.09631	2.5
127.03928	5.1
133.10126	20.8
135.11693	61.8
137.09610	22.9
137.13286	1.6
138.15971	1.4
139.03894	14.9
139.11127	1.8
147.11722	2.8
149.13271	7.3
150.06767	1.5
151.03914	16.1
151.11197	11.8
151.14815	12.5
153.05441	2.0
153.12772	1.9
155.03391	53.1
156.03705	1.5
165.05400	1.9
165.09172	2.4
165.12852	2.5
165.16373	3.8
167.91528	1.3
169.05013	3.4
175.14824	23.6
186.56123	1.3
193.08607	4.8
193.15884	17.0
211.07632	1.7
211.09636	34.1
211.16972	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	211.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.1
55.01858	9.6
55.05508	54.2
56.96548	6.8
57.03436	29.5
57.07071	16.7
59.04996	22.7
65.03941	4.1
67.05503	65.0
68.99797	2.4
69.03423	16.1
69.06724	3.7
69.07065	51.8
69.31371	17.5
69.31779	4.6
70.06590	3.1
71.04991	91.5
71.08624	2.5
73.06519	3.4
79.05486	44.2
80.62183	1.8
81.03416	71.0
81.07056	100.0
83.04978	41.3
83.08617	41.1
85.06535	36.7
91.05480	48.0
93.03335	2.5
93.07039	69.1
94.07348	2.7
95.04967	36.4
95.08605	92.4
97.02827	3.5
97.06539	37.0
97.10137	10.5
98.97591	2.3
99.04442	11.3
99.08082	21.3
103.08858	2.1
103.95628	2.7
105.07026	42.1
107.04946	7.9
107.08590	63.4
108.83887	1.8
109.06519	28.2
109.10158	36.9
111.04461	3.9
111.08084	14.9
113.09637	4.7
115.05441	2.4
115.07564	11.5
116.98662	3.0
117.07039	4.3
119.04956	2.5
119.08580	52.1
121.06516	5.0
121.10137	37.2
123.04424	32.4
123.08057	24.6
123.11705	95.3
125.09625	10.9
127.03921	3.4
127.07575	19.6
129.07011	11.3
131.08559	9.4
133.06476	3.0
133.10123	48.1
135.11688	88.6
136.12033	2.9
137.05977	5.9
137.09593	15.7
137.13255	6.3
139.03897	13.7
140.91141	2.1
141.06992	3.0
141.09091	2.2
141.12764	5.2
142.07788	3.6
147.07997	4.4
147.11673	16.2
149.09569	4.9
149.13248	14.2
151.03903	20.4
151.07530	7.9
151.11235	4.6
151.14804	3.4
153.06953	2.7
153.12753	16.9
154.07742	2.2
155.03377	32.4
155.08556	9.1
155.10680	8.7
157.10159	11.7
163.97752	5.3
165.05544	2.9
165.06888	3.6
165.09100	11.4
165.12746	3.8
167.07018	14.7
167.08461	4.0
167.14299	5.6
168.09329	2.1
169.04990	3.1
169.10123	9.9
175.07611	4.4
175.11183	6.4
175.14816	46.5
181.10107	4.6
182.10826	3.0
183.11757	3.6
193.08606	39.4
193.12228	21.5
193.15927	16.6
196.12442	9.2
205.98746	4.8
211.07657	4.9
211.09628	28.2
211.11346	3.9
211.13191	3.9
211.14850	18.0
211.16930	62.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03941	1.4
55.05510	13.8
57.07072	4.0
59.04992	2.4
65.03924	1.2
67.05501	33.4
69.03428	9.0
69.06721	1.3
69.07069	14.6
70.71682	1.1
70.72018	1.2
71.04993	4.2
71.08656	1.4
72.02792	0.7
79.05488	5.0
81.07056	31.5
83.04971	13.1
83.08616	9.3
85.06542	5.9
91.05467	3.5
93.07042	13.5
95.04992	3.6
95.08605	40.4
97.06534	2.7
97.10165	2.8
97.12243	0.7
99.08073	3.5
104.67150	0.7
105.07031	7.3
107.08590	26.6
109.06519	13.1
109.10155	100.0
110.10503	1.3
111.08088	4.1
113.09634	1.9
119.08579	23.5
120.04585	0.7
121.10137	12.5
123.04393	1.0
123.08064	17.3
123.11708	10.2
125.09634	2.5
127.11201	1.6
131.08618	1.0
133.10126	22.8
135.11688	62.5
136.12045	1.3
137.09618	16.0
138.10338	0.8
139.11180	2.0
147.11684	1.7
149.13254	6.7
151.11179	10.8
151.14815	12.5
153.12761	2.4
155.03548	0.9
165.16406	2.3
175.14825	18.7
175.16280	1.3
193.08577	1.9
193.15857	16.3
197.95149	0.8
211.09554	0.7
211.16890	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03922	1.3
55.05512	12.9
57.03427	1.5
57.07074	6.1
59.05007	5.7
67.05505	26.2
69.03401	1.7
69.07062	15.9
70.71339	1.9
70.71693	2.1
71.04987	11.7
75.55961	1.1
79.05496	8.4
81.03411	3.1
81.07058	27.2
83.04971	4.2
83.08612	11.8
85.06525	4.3
91.05483	4.6
92.89616	0.9
93.07045	16.2
95.04939	1.9
95.08606	100.0
96.08897	1.4
97.06542	4.5
97.10167	2.5
99.04444	2.5
99.08089	2.8
101.06006	2.7
105.07028	7.3
106.33317	1.0
107.08591	15.8
109.06503	3.1
109.10152	29.0
111.08074	2.7
115.07565	8.2
119.08577	13.1
121.10137	9.5
123.04454	2.4
123.08058	3.8
123.11718	14.8
125.09644	5.0
127.07570	1.5
133.10138	11.7
135.11690	23.0
137.09618	7.6
137.13281	2.7
139.11168	3.7
147.11671	3.1
149.13242	4.2
151.03958	1.1
151.07596	1.1
151.11171	1.6
151.14780	1.2
153.12743	2.8
155.03384	2.9
155.10626	1.1
163.14807	7.5
165.16391	2.3
167.07033	2.2
175.14806	15.4
181.15860	1.6
185.64607	1.2
193.08655	3.0
193.15854	13.7
211.09700	2.5
211.16914	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	211.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.1
55.01843	6.7
55.05511	34.5
56.62160	3.8
56.81274	4.4
57.03424	15.7
57.07079	6.2
65.03931	5.6
67.05173	6.1
67.05505	85.5
68.99782	9.3
69.03423	16.5
69.07068	27.9
69.83537	4.1
70.46034	8.3
70.46398	12.8
71.04977	8.8
79.05491	26.4
81.03398	24.2
81.07055	66.9
83.04981	27.4
83.08604	14.0
85.02895	5.9
85.06546	68.4
91.05453	17.6
93.07047	27.0
95.04980	30.0
95.08606	52.9
97.06526	12.7
98.36155	4.6
99.08080	8.4
99.18895	3.9
105.07023	26.4
107.04962	5.9
107.08578	37.9
109.06516	60.8
109.09471	7.5
109.10156	84.0
111.00789	4.6
111.08092	10.3
117.07010	5.8
119.08591	37.9
120.14629	4.2
121.10153	14.0
123.04428	56.4
123.08083	35.5
123.11692	13.3
125.09606	19.9
127.03902	12.1
127.07532	39.7
129.06914	5.2
133.10127	26.9
135.08008	4.9
135.11688	50.2
137.05959	9.9
137.09630	23.1
139.03894	13.7
139.11180	5.1
147.08035	8.6
147.11668	11.5
149.13208	6.8
151.03870	13.5
151.07486	12.3
151.11163	15.6
151.14812	10.2
155.03387	13.9
164.04684	7.2
165.05341	5.3
165.09093	44.8
165.12766	7.9
165.16345	7.2
175.07501	13.8
175.11269	4.5
175.14818	15.7
181.13063	4.1
185.77426	4.6
193.08614	100.0
193.15828	13.9
194.08847	5.8
207.01982	4.8
211.09708	40.6
218.70416	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	211.1692
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03935	3.2
53.58663	1.5
55.01857	2.6
55.05508	29.5
56.96550	3.6
57.03433	12.7
57.07072	11.7
59.05002	17.0
65.03957	3.7
67.05174	2.3
67.05502	29.2
67.64925	1.6
68.99784	3.0
69.03406	6.5
69.07069	45.2
70.84793	5.0
71.04992	86.5
79.05489	21.6
81.03429	15.0
81.06586	3.7
81.07054	68.1
83.04989	11.0
83.08614	22.3
85.02840	1.9
85.06542	25.2
91.05479	18.5
93.06482	3.5
93.07041	55.1
95.04964	15.3
95.08606	70.5
97.06532	28.2
97.10149	6.0
98.69802	1.6
98.97558	2.0
99.04454	10.6
99.08089	19.4
105.07024	22.0
106.89066	1.8
107.07863	2.7
107.08590	47.4
108.13256	1.9
109.06521	20.9
109.10154	27.8
111.08093	8.4
115.07571	14.7
119.08580	42.5
121.10137	31.3
123.04421	20.7
123.08070	19.6
123.11707	84.8
125.09620	9.1
127.03873	5.0
127.07565	16.3
131.08565	3.6
133.06473	2.0
133.10138	34.0
134.99640	3.1
135.11688	100.0
136.11978	1.8
137.05974	3.4
137.09604	11.0
137.13237	4.7
139.03874	6.6
141.09082	5.2
141.12715	7.2
147.08060	3.1
147.11676	7.6
149.05907	3.2
149.13286	14.5
151.03888	10.4
151.07526	4.7
151.11229	2.4
151.14757	2.0
153.12762	16.4
155.03401	11.3
155.08577	3.8
155.10637	9.3
163.97581	2.4
164.04720	2.2
164.31320	1.8
165.09111	16.0
167.07007	7.0
169.04997	2.5
169.10005	3.5
175.07562	3.7
175.11169	3.0
175.14825	46.0
181.10129	3.4
186.92210	1.5
193.08611	41.3
193.12184	5.2
193.15871	14.3
196.12509	2.2
211.09671	14.4
211.15012	3.5
211.16919	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	211.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45864	1.7
53.03943	3.6
55.01867	4.3
55.05515	27.1
57.03449	10.1
57.07065	6.1
59.04998	3.6
67.05505	45.4
69.03436	14.6
69.07066	23.7
70.47333	5.6
70.47710	3.3
71.04975	6.5
71.35854	1.6
79.05490	16.6
81.03419	20.2
81.07056	42.2
83.04973	22.9
83.08607	18.2
85.02798	1.7
85.06529	10.3
91.05479	13.6
91.63129	1.7
93.07045	18.4
93.34850	2.1
95.04971	13.4
95.08607	51.5
97.06463	3.8
97.10164	6.0
99.04469	2.0
99.08101	6.1
105.07032	17.2
107.08595	27.6
109.06520	19.1
109.10155	100.0
111.08079	6.5
113.09646	2.5
117.06995	2.3
119.08584	28.5
121.10133	15.1
123.04423	3.7
123.08062	18.8
123.11693	9.2
125.05994	2.1
125.09642	7.9
127.03841	2.0
127.07587	2.2
129.07010	3.3
130.28262	1.8
131.08603	2.8
133.10138	19.9
135.11685	62.6
136.12004	2.1
137.09607	17.7
139.11230	3.1
147.11662	7.2
149.13240	6.7
151.03854	2.8
151.11142	10.3
151.14841	11.4
153.12730	4.1
157.10097	2.9
165.09128	3.8
165.16408	3.1
167.07050	3.6
167.13344	5.1
175.11172	4.1
175.14801	18.6
179.07083	2.6
193.08635	6.4
193.12276	5.9
193.15860	13.0
211.11247	2.0
211.13217	3.8
211.16872	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1328
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
53.03940	5.8
55.01857	6.3
55.05264	3.2
55.05510	43.7
56.96571	12.0
57.03447	11.2
57.07067	4.0
59.04980	2.4
59.63869	2.2
64.48198	1.7
65.03934	3.0
67.05505	39.7
67.06043	1.9
68.14150	1.7
69.03426	10.4
69.07056	14.0
69.30996	20.9
71.04980	8.4
71.19841	2.5
74.63634	2.2
76.95889	1.8
76.98730	2.0
79.05062	3.2
79.05493	39.0
81.03416	100.0
81.07052	45.3
83.04982	47.6
83.08617	31.6
85.02890	2.2
85.06544	7.5
91.05474	39.9
93.07038	19.0
95.04967	35.6
95.08602	20.6
97.02866	2.9
97.06525	5.5
97.10152	8.2
105.03371	2.2
105.07026	29.5
107.04960	8.5
107.08605	12.2
107.09227	2.0
109.06512	8.2
109.10143	7.7
111.04471	2.6
111.08067	9.8
119.08582	21.1
121.10156	7.5
123.04445	7.2
123.08067	4.5
123.11722	2.4
125.09608	3.9
127.03920	1.9
127.07543	3.0
129.07039	12.9
131.08537	10.5
133.06541	2.4
133.10092	9.7
135.11714	2.2
139.03862	3.0
141.06998	3.5
142.07742	2.8
147.08046	3.9
147.11688	13.3
149.09610	7.3
151.03874	4.8
155.03362	9.4
155.08574	3.5
157.10112	14.1
163.97697	4.3
165.09114	2.6
165.12793	3.2
169.10120	7.2
175.11154	16.5
181.10075	3.1
181.98769	3.9
183.11636	2.5
193.08618	4.4
193.12245	22.9
196.12434	2.6
199.06442	2.5
205.98766	7.0
209.15161	1.9
211.06000	2.5
211.07848	2.7
211.09680	6.4
211.13255	8.0
211.14833	7.1
211.16565	2.1
213.56821	2.2
216.23648	2.2
217.07481	4.1
229.07484	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	211.1328
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03947	7.7
53.46550	1.0
53.69834	1.1
55.01881	7.5
55.05511	44.2
55.05785	2.1
56.96565	4.7
57.03435	13.1
57.07072	3.2
59.04984	2.6
65.03940	3.0
67.05504	43.3
68.99802	2.0
69.03428	12.4
69.07069	13.8
71.04984	6.4
79.05070	2.2
79.05498	34.8
79.05965	2.0
81.03419	100.0
81.07059	45.6
83.04979	55.6
83.08621	32.7
85.02880	2.3
85.06540	20.0
91.05480	35.7
93.07052	18.5
95.04971	35.8
95.08601	17.5
97.02892	2.5
97.06536	7.1
97.10148	8.6
98.21510	3.1
98.98463	2.4
99.04464	3.9
99.08092	3.5
105.07034	22.5
107.04981	7.1
107.08589	10.2
109.02905	1.3
109.06529	13.8
109.10137	8.2
111.04456	3.9
111.08096	7.7
117.07024	2.1
119.04913	1.4
119.08575	23.9
121.06508	3.4
121.10142	9.5
123.04436	15.5
123.08035	6.9
123.11713	3.0
125.05981	1.5
125.09642	4.3
127.03911	4.4
127.07560	7.8
129.07001	11.1
131.08575	10.6
133.06538	3.5
133.10127	9.0
135.11673	4.0
137.05981	3.7
137.09569	2.8
139.03877	7.5
141.07039	1.5
142.07770	4.4
145.10135	1.6
147.08073	3.4
147.11693	14.5
149.05994	1.8
149.09605	8.3
151.03914	7.7
151.07542	4.0
151.11206	3.1
153.05499	2.4
155.03410	17.1
155.08549	1.9
157.10143	12.5
163.97702	1.8
165.09131	4.9
165.12747	3.5
167.07063	7.6
168.09200	1.3
169.05031	2.0
169.08743	1.4
169.10120	4.3
175.07556	3.9
175.11179	12.4
175.14833	1.6
181.01640	1.8
181.10124	1.6
182.08943	1.3
182.10736	1.4
183.08005	1.5
183.11676	1.6
183.45833	1.3
193.08594	17.2
193.12233	24.9
196.12468	2.0
205.98868	2.1
211.07622	3.3
211.09666	14.2
211.13057	10.8
211.14873	4.6
211.16522	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
52.56845	1.1
53.03941	7.0
55.01859	5.0
55.05512	49.5
55.06690	1.2
56.96549	5.0
57.03438	11.6
57.07067	2.8
59.04979	2.0
59.76504	1.1
61.19213	1.1
65.03916	2.9
67.05505	42.3
69.03426	11.5
69.07065	11.4
71.05001	5.9
79.05492	41.6
81.03418	100.0
81.07058	45.4
83.04983	53.1
83.08617	31.6
85.02900	2.0
85.06541	6.9
91.05483	40.1
93.07040	20.8
95.04973	37.6
95.08601	15.3
97.02881	3.2
97.06527	5.4
97.10186	10.1
98.21529	2.4
99.04456	1.3
99.08137	1.9
105.07030	28.3
105.40044	1.1
107.04971	6.9
107.08598	11.2
109.06520	8.5
109.10139	5.4
111.04407	2.5
111.08076	11.6
113.05976	2.0
115.05439	2.3
116.06255	1.5
117.07010	2.7
119.04948	1.2
119.08577	20.4
121.06468	2.8
121.10147	8.0
123.04408	3.1
123.08057	4.3
125.09597	2.7
127.03931	1.9
127.07522	1.5
128.06219	1.7
129.07018	15.0
131.08549	12.7
133.06479	5.3
133.10117	10.5
135.11665	1.5
137.09622	2.4
141.07036	1.6
142.07779	3.4
145.10156	2.8
147.08006	3.7
147.11687	13.5
149.09605	6.8
151.03899	2.3
155.03394	5.1
155.08546	3.4
157.10129	14.0
163.97728	3.0
165.09163	2.0
165.12721	3.1
169.08826	1.6
169.10138	4.9
175.11203	12.4
181.98776	2.3
187.92038	1.3
193.08549	2.2
193.12230	24.3
196.12433	2.1
205.98753	3.0
211.09750	2.7
211.13069	8.1
211.14899	4.1
222.08171	1.4
229.07390	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
51.02390	1.0
51.53533	0.8
53.00322	0.7
53.03951	3.7
55.01874	6.5
55.05511	21.5
56.96570	1.4
57.03438	7.6
57.07071	8.2
59.04996	3.1
65.03943	2.7
67.01865	3.1
67.05504	30.2
68.99779	3.8
69.03427	7.8
69.07064	11.1
69.54891	6.1
71.05003	6.2
79.05492	19.7
81.03416	39.8
81.07053	37.6
83.04981	23.2
83.08617	16.0
85.02914	2.3
85.06543	16.8
87.91400	0.7
91.05482	22.2
93.07045	14.9
93.07631	1.2
95.04971	21.1
95.08607	15.9
97.02870	1.8
97.06528	6.1
97.10162	3.7
97.10785	0.7
99.04475	1.9
99.08080	4.5
103.05480	1.0
105.07030	20.3
107.04979	4.2
107.08591	7.6
109.02850	2.0
109.06510	13.4
109.10158	9.8
111.00757	1.1
111.04447	2.7
111.08078	6.3
113.05984	0.8
115.05453	0.9
116.98593	1.1
117.07084	1.3
119.04946	2.1
119.08582	18.3
121.06522	1.1
121.10139	8.5
123.04429	39.5
123.08049	5.6
123.11688	6.2
125.05969	0.8
125.09606	3.5
127.03909	14.6
127.07551	7.3
129.06985	6.9
131.08565	7.2
133.06493	2.1
133.10117	7.5
135.11676	4.9
137.02359	1.5
137.05971	4.2
137.09613	2.2
137.13255	0.9
139.03900	25.2
141.09087	1.1
142.07870	1.3
145.10115	1.0
147.08038	2.4
147.11693	10.6
149.05971	2.2
149.09636	3.1
151.03902	38.5
151.07585	3.9
151.11102	1.7
152.04427	0.8
153.01822	5.3
153.05452	4.6
155.03391	100.0
155.08549	2.0
156.03683	1.6
157.10141	6.1
160.05379	0.7
163.97722	1.2
164.04691	1.5
165.05441	2.2
165.06854	0.8
165.09129	5.3
165.12746	2.7
167.07019	6.0
169.04976	7.5
169.08720	1.0
169.10126	3.2
175.07542	3.0
175.11180	6.1
175.14839	1.6
181.08586	1.0
181.10066	1.6
183.11688	1.5
193.08612	23.4
193.12224	12.3
193.15991	1.1
196.12437	1.5
205.98700	0.8
211.09642	59.8
211.13144	4.5
211.14882	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1328
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03931	7.5
55.01866	9.3
55.05265	4.0
55.05509	50.1
57.03425	10.4
67.05507	42.2
69.03419	11.7
69.07075	16.0
70.03757	3.8
71.04994	4.3
71.58441	4.9
79.05499	29.0
81.03419	100.0
81.07064	45.1
83.04982	49.5
83.08614	34.7
85.06523	8.9
91.05470	36.4
93.07037	18.0
95.04961	32.3
95.08620	20.0
97.02881	4.6
97.06529	5.6
97.10160	11.6
99.04469	2.8
105.07021	25.1
107.04964	6.2
107.08589	11.8
109.06483	12.5
109.10147	10.0
111.04421	3.2
111.08081	9.3
112.49791	2.9
119.04951	3.7
119.08586	23.3
121.10159	11.8
123.04419	4.4
123.08052	6.5
125.09675	2.8
127.07525	3.1
129.06995	9.4
131.08574	12.9
133.06483	3.2
133.10101	11.3
142.07686	3.9
147.08063	3.6
147.11707	14.4
149.09619	8.6
151.03893	4.4
155.03366	9.4
157.10135	16.6
163.97720	3.8
165.12813	4.6
169.10088	5.3
175.11224	12.1
181.98813	4.1
193.08643	5.6
193.12239	24.0
205.98766	4.8
211.09576	8.6
211.13237	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	211.1329
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03941	5.0
55.01867	5.6
55.05509	47.9
56.96553	3.2
57.03438	7.8
57.07073	1.2
59.05008	1.4
65.03928	1.9
67.05502	30.7
69.03425	9.2
69.06725	1.0
69.07067	12.2
69.94257	5.3
71.04983	5.2
72.71922	0.8
73.06502	0.8
78.05632	0.7
79.05493	31.7
80.18649	0.8
81.03417	100.0
81.07052	38.2
81.56287	0.8
82.03765	1.3
83.04981	53.6
83.08618	30.6
83.09119	1.2
85.02908	1.2
85.06553	3.3
91.05476	35.7
93.07041	19.0
95.04968	33.2
95.08600	15.0
95.09167	1.3
97.02893	2.8
97.06546	3.9
97.10174	7.8
98.20753	1.5
99.08081	2.0
105.07033	23.1
106.00405	0.8
107.04960	6.9
107.08601	7.6
109.06522	6.0
109.10164	3.8
111.04447	1.7
111.08086	10.1
113.06041	0.9
115.05448	1.8
117.07020	2.2
119.04965	1.2
119.08585	16.6
119.09370	1.8
121.06528	1.7
121.10141	9.0
123.04470	1.3
123.08078	2.4
123.11691	0.8
125.09623	1.6
127.22083	0.8
128.06235	1.5
129.06999	12.9
131.08551	13.9
133.06494	2.7
133.10129	11.6
137.09625	2.8
139.03891	1.0
142.07779	3.4
145.10146	1.5
147.08012	4.3
147.11687	13.8
149.09619	6.2
151.03928	0.8
153.07042	1.0
155.03412	3.3
155.08594	2.2
157.10120	13.5
158.86432	0.9
163.97736	2.2
165.12781	2.8
168.09349	3.5
169.10168	0.9
170.40800	0.8
175.11198	12.6
175.14839	1.6
181.06471	1.1
183.11703	2.7
193.10417	1.8
193.12230	26.9
196.08913	0.8
198.95143	0.9
205.98807	2.4
211.09486	1.2
211.11195	4.7
211.13348	8.7
213.56560	0.8
227.32892	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1328
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
51.02398	1.5
53.03938	6.4
55.01868	6.2
55.05512	57.5
56.96558	1.3
57.03437	12.8
57.07063	3.1
59.04976	3.3
64.16307	1.0
65.03940	1.6
67.05505	47.3
69.03432	55.8
69.03813	2.9
69.07068	18.2
70.51875	2.4
70.52239	2.5
71.04992	12.6
78.04649	1.2
79.05492	38.4
81.03419	100.0
81.07053	50.4
83.04980	85.2
83.08620	58.5
85.02908	2.0
85.06549	9.9
86.62307	1.1
91.05482	42.9
93.07043	24.3
95.04360	2.1
95.04969	37.5
95.08601	19.9
97.02879	3.7
97.06505	7.0
97.10189	7.7
99.08104	3.0
103.05469	1.3
105.07029	26.5
107.04978	5.8
107.08598	16.1
109.06528	9.4
109.09460	2.2
109.10156	30.0
111.04452	1.7
111.08070	12.1
115.05430	2.5
117.07058	3.0
119.05017	1.2
119.08589	24.0
121.06480	1.7
121.10148	10.8
123.04403	4.3
123.08060	4.1
123.11681	7.8
125.09631	7.5
127.07526	3.3
127.11192	12.6
129.06996	14.3
131.08591	11.6
133.06476	5.1
133.10135	14.0
135.11690	7.0
137.09596	5.2
139.03912	1.8
142.07791	3.9
145.10188	1.2
147.08055	2.7
147.11690	14.9
149.09642	6.4
149.10675	1.6
151.03877	2.5
151.11159	1.8
151.32480	1.0
155.03383	11.5
157.10135	15.6
165.12714	3.5
167.07072	2.2
167.14264	6.6
175.11180	14.4
175.14743	2.8
193.08595	5.8
193.12238	23.7
193.15857	4.7
196.12355	1.4
200.73425	1.1
211.09615	8.3
211.13161	9.8
211.14978	1.8
211.16734	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	211.1328
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03929	6.7
55.01860	5.5
55.05511	44.8
56.96573	8.3
57.03429	8.7
57.07063	4.4
57.79543	1.7
59.05002	1.9
61.69729	1.4
65.03941	2.7
66.66535	1.6
67.05178	2.1
67.05508	36.8
69.03442	8.7
69.07063	12.9
71.05006	7.0
79.05070	2.2
79.05494	30.2
81.03417	100.0
81.07057	37.2
83.04979	48.3
83.08623	27.8
85.02881	1.9
85.06539	3.4
91.05479	34.4
93.07043	17.4
94.07401	1.5
95.04967	34.5
95.08600	17.4
97.02892	4.9
97.06527	4.4
97.10151	7.6
98.21523	3.4
99.08092	2.3
105.06400	1.8
105.07041	24.8
107.04922	6.4
107.08591	9.0
109.06517	7.3
109.10130	7.3
111.04366	3.5
111.08083	8.0
115.05468	2.8
119.04987	1.6
119.08581	18.3
121.10125	9.5
123.04443	1.6
123.08057	5.1
123.11726	2.1
125.09691	2.8
127.07551	2.6
129.07004	12.1
131.08595	8.6
133.06488	4.0
133.10126	11.4
135.11664	2.7
137.09593	2.1
142.07764	3.2
145.10075	2.0
147.08034	4.1
147.11685	13.5
149.09622	7.4
151.03978	1.7
155.03351	2.3
155.08543	2.1
157.10109	10.1
163.97688	6.2
165.12701	3.4
167.07065	3.2
168.09338	1.5
169.10217	2.4
175.11197	18.4
175.14838	2.8
181.98828	2.2
193.12248	27.1
193.15895	1.8
205.98764	6.0
211.11221	3.1
211.13232	10.4
211.14941	2.1
211.16631	1.8
229.07501	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1328
Annotation	(plusmn)7-epi Jasmonic Acid
Peak:m/z	Relative Intensity
53.03937	2.1
55.01863	4.9
55.05508	14.4
56.96565	1.3
57.03433	3.8
57.07072	5.9
59.04997	1.2
65.03927	1.1
66.79221	1.0
67.05505	21.3
69.03435	9.8
69.07067	29.4
69.42928	5.2
69.43356	4.7
71.04989	9.1
71.08628	1.4
73.50895	1.0
79.05492	14.5
81.03406	6.9
81.07056	28.8
83.04979	11.0
83.08619	5.1
85.02930	2.1
85.06549	9.4
91.05482	35.2
93.07040	27.2
95.04968	25.8
95.08603	13.0
97.06522	3.3
97.10134	1.1
99.04458	2.8
99.08101	5.6
104.48325	1.1
105.07027	36.8
107.04955	2.8
107.08591	14.7
109.06511	29.1
109.10155	14.7
111.04512	1.3
111.08072	2.4
113.05991	3.2
117.07034	1.2
119.04933	1.1
119.08570	12.0
121.06484	1.7
121.10124	5.3
123.04419	3.5
123.08087	3.0
123.09196	3.0
123.11692	5.5
125.06027	1.4
125.09631	10.6
127.03881	1.3
127.07561	4.5
129.06987	1.9
131.08568	8.6
133.06488	2.8
133.10124	100.0
134.10492	1.8
135.08031	1.3
135.11685	6.3
136.12334	1.0
137.05988	10.8
137.09604	5.4
137.13226	1.2
139.03867	1.5
141.05438	1.6
144.85355	0.9
147.11679	19.7
149.09595	2.4
151.03995	2.0
151.07599	5.4
151.11179	55.6
152.11562	1.3
155.03383	1.7
155.07013	17.6
155.08238	1.4
155.10567	2.1
157.10146	1.6
163.14803	3.4
163.97600	1.3
165.06993	1.2
165.12776	5.3
167.07039	4.1
169.08717	1.4
175.11162	8.0
175.12411	2.9
175.14772	3.1
190.72842	1.0
193.08620	1.3
193.12154	17.1
193.15909	2.9
211.07550	1.6
211.09454	1.5
211.11272	1.7
211.13181	10.3
211.15201	1.2
211.16933	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43465	4.7
53.03939	7.8
55.01862	12.4
55.05502	8.0
56.05024	7.1
56.96561	89.8
57.03431	16.9
58.06591	6.3
60.04518	5.1
61.02900	12.3
65.03928	10.8
67.05486	13.4
68.05016	7.3
69.03413	17.6
69.07046	5.2
70.06571	16.5
70.83041	13.0
71.01339	4.3
71.04991	5.2
72.08147	6.7
73.02914	11.9
77.00892	8.2
79.05498	39.1
80.05036	10.9
81.03404	14.4
81.07035	13.7
82.06565	12.9
83.04958	12.1
84.04496	12.3
84.08141	64.3
85.02884	16.9
86.09704	5.7
91.05480	42.6
93.03401	9.2
93.07037	19.6
94.06591	9.7
95.04964	22.1
95.07330	4.4
95.08591	8.7
96.04485	9.1
97.02887	20.7
98.06039	6.8
98.97552	15.4
99.04441	8.6
100.02483	6.7
101.00904	5.8
103.02431	14.1
103.05453	17.8
103.75872	4.3
105.07026	17.1
105.12517	4.4
106.06564	24.1
107.04965	32.9
107.07342	5.1
108.08124	6.9
109.02884	10.0
109.06523	7.7
109.07623	7.9
109.47366	4.2
110.06039	8.0
110.07175	8.2
111.04404	9.9
112.07587	16.9
114.05512	5.2
115.02415	5.6
116.98592	10.9
118.03543	8.3
118.06553	5.6
119.01907	38.4
119.04916	21.4
120.04489	4.8
120.08122	23.2
121.03463	18.9
121.06504	48.8
122.06005	13.5
123.04421	15.5
124.07555	8.5
125.02654	8.8
125.06031	24.6
125.06873	6.4
126.09158	7.3
127.03876	5.7
128.98622	4.9
130.06548	11.2
131.01907	22.7
131.04883	21.6
133.03520	10.1
133.06473	9.5
134.06027	33.8
134.99669	16.1
135.04330	8.4
135.06773	14.2
136.05214	9.3
136.07590	23.1
137.02890	15.1
137.05992	39.5
138.05475	9.7
138.09120	7.9
143.00130	5.1
143.01907	10.7
143.05525	8.8
144.03392	5.0
145.03435	14.7
145.96597	5.0
146.06001	7.9
146.99608	9.1
147.01332	14.9
147.03416	4.9
147.04366	30.4
147.09142	14.2
148.07562	54.6
149.05962	85.6
150.05424	7.0
150.53317	4.8
151.05966	4.2
151.07504	8.1
152.07062	79.9
153.05472	40.9
153.07817	15.5
158.04834	6.7
158.06020	5.5
158.99710	5.0
160.02789	6.6
160.06429	9.1
161.01222	13.1
161.02983	23.2
161.06615	4.9
163.04509	5.9
163.97726	18.9
164.07094	11.1
165.02542	11.5
165.05360	10.1
165.10170	9.3
166.08617	48.2
167.06982	5.4
168.06544	16.4
169.03406	9.1
170.02997	13.7
173.02924	5.7
174.98817	4.9
175.08661	23.5
176.07005	46.4
177.05472	11.2
179.02251	6.8
179.06979	7.2
179.09283	4.9
181.98743	11.0
187.02898	7.5
187.04500	29.6
188.07631	10.7
189.00641	13.7
189.02318	6.5
193.09706	64.8
194.04443	13.5
194.08081	100.0
194.09662	8.3
194.11717	5.3
195.06316	8.6
196.07152	11.1
205.98735	19.6
206.07085	6.1
207.01756	12.3
207.03537	7.4
211.07669	7.3
211.09074	6.1
211.10797	91.7
211.14519	15.2
212.07512	9.2
212.09027	6.3
212.10498	10.9
224.07997	8.2
230.08678	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	211.0964
Annotation	(+)-3-Hydroxy-5-(p-hydroxyphenyl)pentanoic acid
Peak:m/z	Relative Intensity
52.26173	1.3
52.44924	1.4
53.82507	1.5
55.05500	3.3
56.22012	1.4
57.03436	100.0
57.07064	1.6
67.05505	5.6
69.03415	2.2
69.07053	3.2
69.85607	8.9
71.05000	1.7
72.90218	1.6
79.05509	2.5
81.07053	6.5
83.04997	1.9
85.02903	3.3
85.47861	1.5
91.05474	3.3
93.07049	5.1
95.04958	5.3
95.08597	5.6
97.06582	1.9
105.07044	4.8
107.08595	5.8
109.02824	1.8
109.06536	2.2
109.10164	8.0
119.01968	1.6
119.08601	5.0
123.04426	2.7
123.08072	3.3
123.11752	2.6
133.10130	3.9
135.11719	5.3
140.04713	2.6
147.04390	1.9
151.03912	3.0
155.07030	3.0
163.97842	2.7
167.07042	5.2
167.13356	2.9
171.08217	1.7
175.14896	1.8
175.20872	1.5
183.08121	2.5
193.05042	5.3
193.12444	2.0
193.15987	1.8
205.98805	2.7
211.05977	4.1
211.09659	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	211.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	1.6
55.05517	10.8
57.03430	9.2
57.07076	8.1
57.78117	1.8
65.03928	6.1
67.05505	60.6
68.99783	8.1
69.03427	3.8
69.07056	5.8
70.75235	5.9
71.05004	2.4
79.05479	7.3
81.03422	2.5
81.07059	27.5
83.04946	2.3
83.08614	4.7
85.06544	100.0
91.05485	4.9
93.07053	4.5
95.04977	5.1
95.08607	23.6
97.06512	2.6
99.08096	7.7
105.07001	5.2
107.08591	7.2
109.06521	51.1
109.10149	10.8
119.08581	5.4
121.10124	3.2
123.04421	59.4
123.08057	20.8
125.09637	11.0
127.03924	13.6
127.07555	51.5
129.06978	3.4
135.11682	3.3
137.05962	7.8
137.09602	3.9
139.03883	13.7
147.08003	3.4
149.06023	2.9
151.03879	5.6
151.07556	8.6
153.05472	6.3
155.03383	19.6
160.05150	4.3
163.03941	2.2
164.04678	6.4
165.05461	4.2
165.09093	20.1
169.08615	8.1
175.07561	10.6
175.14844	3.8
193.08611	83.3
193.15906	3.7
211.09634	26.6
211.16913	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	211.0963
Annotation	(+)-3-Hydroxy-5-(p-hydroxyphenyl)pentanoic acid
Peak:m/z	Relative Intensity
53.03940	4.3
54.45906	1.2
55.01866	12.2
55.05503	2.5
57.03422	2.8
65.03940	5.8
67.05489	5.0
69.03415	5.4
69.07053	2.8
70.94067	3.8
71.04964	1.4
77.03908	1.4
78.04707	3.6
79.05489	15.9
81.03406	4.3
81.07044	6.9
83.04985	3.3
85.02885	1.6
85.06535	2.4
86.96288	1.1
87.58149	1.2
91.05479	96.7
92.95982	1.3
93.07031	8.0
94.04180	1.9
95.04966	17.7
95.08604	2.6
97.02873	1.8
97.06563	1.6
103.05018	1.0
103.05480	11.1
105.03396	15.3
105.04500	2.4
105.07032	20.2
107.04953	37.9
107.08585	2.4
108.05736	5.3
109.06519	22.7
109.10153	1.7
110.06908	1.1
111.08084	1.8
111.97987	1.3
115.05466	3.0
118.04151	4.8
119.04940	100.0
119.08599	1.7
120.05235	2.3
121.06490	28.0
123.04417	7.3
123.08043	11.7
124.05193	2.5
124.96763	1.2
125.02277	1.5
125.05988	1.6
125.09625	5.6
131.04936	1.8
133.06479	12.2
134.03638	18.7
135.04388	1.8
135.08009	3.4
136.05191	2.8
137.05983	8.9
137.98441	1.2
140.04715	2.5
146.51642	1.2
147.04393	15.8
147.07896	1.2
147.11673	1.3
149.05972	29.1
150.06657	1.7
151.03955	2.7
151.07542	43.1
152.04710	1.9
153.05460	18.4
153.06842	2.3
155.08562	2.1
161.06023	9.4
165.05490	3.1
165.06833	1.6
165.09015	2.2
166.06210	3.0
166.28923	1.4
167.07048	41.0
168.07838	11.5
168.09169	2.4
175.11162	1.4
179.07065	11.9
181.08684	6.5
181.09993	1.7
183.11769	1.8
193.08498	2.0
193.10092	2.5
196.07195	3.0
196.08870	1.7
205.98779	1.7
211.07741	2.4
211.09526	13.1
211.11263	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	211.0964
Annotation	(+)-3-Hydroxy-5-(p-hydroxyphenyl)pentanoic acid
Peak:m/z	Relative Intensity
55.01862	2.4
55.05497	5.9
57.03427	6.2
57.07062	4.2
65.03923	3.5
66.94505	1.3
67.05505	32.4
68.99791	16.0
69.03413	2.9
69.44828	13.9
70.44363	1.3
79.05482	6.3
79.12529	1.2
81.03404	3.1
81.06658	1.7
81.07066	20.6
83.04983	2.9
83.08614	1.5
83.15091	1.4
85.02905	2.5
85.06544	51.0
91.05474	5.1
95.04960	4.5
95.08620	9.2
97.10188	2.3
99.08115	3.6
105.07014	5.2
107.08582	3.4
109.06513	38.6
111.00789	4.9
119.08549	4.6
121.06494	1.8
123.04430	61.4
123.08070	25.3
124.74969	1.5
125.09634	6.4
127.03910	10.9
127.07558	26.5
129.07057	2.5
137.05969	7.1
137.09639	2.5
139.03903	14.6
147.08067	6.9
149.06050	2.5
151.03915	18.3
151.07542	9.1
153.05449	3.3
153.88275	1.5
155.03397	27.6
160.05171	3.2
163.03909	2.6
164.04710	5.3
165.05452	3.5
165.09113	42.8
169.08592	3.4
175.07581	10.6
175.61049	1.5
193.08609	100.0
206.96608	1.5
211.09645	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0964
Annotation	Anserinone B
Peak:m/z	Relative Intensity
52.41655	2.7
55.05500	6.1
57.03439	7.0
57.07071	3.4
62.94911	2.7
67.05505	45.2
68.99794	7.8
69.03456	2.7
70.75512	6.8
79.05490	4.4
81.03443	2.7
81.07055	19.1
85.06545	100.0
89.66917	2.5
95.04942	4.0
99.08095	4.8
109.06510	35.8
117.73397	2.9
123.04427	51.7
123.08055	20.1
125.09645	8.9
127.03919	16.1
127.07549	46.6
137.05957	8.0
139.03915	13.0
147.08058	3.1
149.05928	4.5
151.03944	5.8
151.07568	9.4
153.05515	6.4
155.03398	11.9
164.04726	7.3
165.09106	18.8
169.08607	5.6
175.07550	12.8
178.91946	2.7
193.08615	91.3
211.07759	4.8
211.09657	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0964
Annotation	Panepoxydone
Peak:m/z	Relative Intensity
55.05507	2.5
57.03435	1.7
57.07063	6.0
67.01849	2.3
67.05503	10.1
68.99788	4.3
69.03405	1.5
69.75984	6.1
69.76395	3.9
71.04987	6.1
74.01590	1.6
79.05473	3.0
81.03432	2.7
81.07049	6.8
83.04961	2.9
85.06546	16.6
91.05462	1.7
95.04982	4.1
95.08598	2.5
104.60638	1.6
105.07030	2.1
107.08547	1.8
109.06509	7.7
109.10139	2.4
111.04455	1.9
119.08591	1.7
123.04427	38.0
123.08078	4.1
123.11752	2.3
123.23569	1.7
125.09621	3.9
127.03915	10.0
127.07543	7.4
135.11682	2.5
137.06062	2.2
139.03906	24.1
151.03899	41.3
153.01813	3.0
153.05466	3.2
155.03389	100.0
165.05484	2.4
165.09126	4.5
167.07062	2.0
169.04930	6.3
175.07565	2.6
193.08585	23.6
211.09657	61.1
211.16963	3.0
212.09885	2.3
221.80142	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0965
Annotation	Anserinone B
Peak:m/z	Relative Intensity
55.01850	1.6
55.05517	10.8
57.03430	9.2
57.07076	8.1
57.78117	1.8
65.03928	6.1
67.05505	60.6
68.99783	8.1
69.03427	3.8
69.07056	5.8
70.75235	5.9
71.05004	2.4
79.05479	7.3
81.03422	2.5
81.07059	27.5
83.04946	2.3
83.08614	4.7
85.06544	100.0
91.05485	4.9
93.07053	4.5
95.04977	5.1
95.08607	23.6
97.06512	2.6
99.08096	7.7
105.07001	5.2
107.08591	7.2
109.06521	51.1
109.10149	10.8
119.08581	5.4
121.10124	3.2
123.04421	59.4
123.08057	20.8
125.09637	11.0
127.03924	13.6
127.07555	51.5
129.06978	3.4
135.11682	3.3
137.05962	7.8
137.09602	3.9
139.03883	13.7
147.08003	3.4
149.06023	2.9
151.03879	5.6
151.07556	8.6
153.05472	6.3
155.03383	19.6
160.05150	4.3
163.03941	2.2
164.04678	6.4
165.05461	4.2
165.09093	20.1
169.08615	8.1
175.07561	10.6
175.14844	3.8
193.08611	83.3
193.15906	3.7
211.09634	26.6
211.16913	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	211.0964
Annotation	Panepoxydone
Peak:m/z	Relative Intensity
55.05500	3.3
57.03424	4.6
57.07076	5.7
59.05000	1.8
63.30526	1.1
67.01863	2.3
67.05498	14.1
68.00137	1.2
68.99783	3.6
69.03416	2.0
70.73696	1.2
71.31998	1.3
71.32334	1.8
79.05495	4.8
81.03407	4.8
81.07050	10.3
83.04982	3.7
83.08612	2.1
85.02888	1.4
85.06538	16.1
91.05472	4.5
93.07036	2.7
95.04969	5.8
95.08604	4.6
97.06532	2.4
99.04433	1.5
99.08080	1.9
105.07035	4.2
107.08586	2.8
109.02900	1.5
109.06511	10.2
109.10162	1.6
119.08549	2.2
121.10188	2.3
123.04423	37.7
123.08052	3.9
123.11680	1.6
125.06036	1.5
127.03902	11.5
127.07551	9.4
127.68223	1.1
131.08498	1.3
137.06001	1.4
139.03908	24.9
147.08084	1.1
151.03902	39.6
151.07523	2.5
153.01868	4.9
153.05469	3.8
155.03387	100.0
165.05498	2.9
165.09123	7.2
165.12801	1.6
169.04968	6.0
175.07539	3.8
175.14944	1.5
181.98787	1.4
193.08595	25.0
193.12186	2.0
198.71950	1.3
211.09653	58.3
212.09872	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0962
Annotation	(+)-3-Hydroxy-5-(p-hydroxyphenyl)pentanoic acid
Peak:m/z	Relative Intensity
51.85460	0.8
53.03957	0.9
55.01866	2.4
55.05510	7.5
57.03442	5.5
57.07074	4.0
64.26556	0.8
65.03938	3.5
67.01849	1.0
67.05504	30.0
68.99787	14.8
69.03423	2.3
69.07073	2.9
70.11814	2.0
70.12238	3.2
71.04989	1.7
79.05489	7.1
80.63075	0.9
81.03410	4.9
81.07059	29.9
83.04984	3.4
83.08622	2.8
85.02921	1.3
85.06543	34.0
91.05475	5.3
93.07027	4.3
95.04959	5.7
95.08614	12.0
97.06513	1.1
98.21454	1.1
99.04462	1.3
99.08080	2.9
99.50349	0.8
103.05491	1.0
105.07034	8.4
107.04970	1.7
107.08578	6.8
109.06518	34.0
109.10159	4.0
111.00804	4.2
111.04475	1.4
117.07029	1.7
119.04903	1.7
119.08598	7.6
121.06509	1.8
121.10153	1.7
123.04430	42.9
123.08063	21.6
123.11694	8.1
125.09634	5.4
127.03935	5.3
127.07561	18.4
129.07004	3.7
131.08586	1.1
133.06523	2.5
133.10130	0.9
135.11737	1.3
137.05978	5.8
137.09624	3.8
139.03908	11.8
147.08066	7.0
147.11713	3.0
149.06001	1.1
151.03897	11.8
151.07544	9.6
151.11189	7.8
153.05531	1.3
155.03391	10.8
157.10135	1.5
160.05211	2.4
163.03918	1.6
164.04706	6.0
165.05458	1.9
165.09111	47.7
167.07072	2.6
169.04999	0.9
169.08641	5.0
169.10010	1.6
175.07538	9.8
175.11143	1.2
181.10123	1.7
193.08600	100.0
194.08972	2.6
196.12442	1.2
211.07620	1.7
211.09644	25.5
211.14879	1.7
220.12050	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0961
Annotation	Anserinone B
Peak:m/z	Relative Intensity
52.03874	3.7
55.05506	12.2
55.68704	3.0
56.43662	3.3
56.70856	3.3
57.03437	6.3
57.07077	5.8
67.05500	40.8
68.99777	8.4
69.03412	5.6
71.04972	3.8
79.05502	11.7
81.03401	7.3
81.07048	30.7
83.04983	5.4
83.08598	5.6
85.06541	50.8
86.40894	4.0
91.05469	11.6
93.07063	5.0
95.04971	10.2
95.08600	16.6
98.21480	10.5
99.08105	6.0
105.07053	8.5
107.08595	6.9
109.06532	36.1
109.10168	13.7
111.00852	5.4
119.08578	7.8
123.04427	49.8
123.08099	19.1
125.09618	7.7
127.03925	6.0
127.07559	30.6
135.11673	5.4
137.02310	4.1
137.06003	7.4
137.09607	6.2
139.03897	14.4
141.14198	4.0
147.08014	7.0
151.03937	14.8
151.07564	13.6
153.05475	5.0
155.03355	29.6
164.04622	3.6
165.09105	44.7
167.07104	4.9
169.08624	9.2
175.07539	12.3
175.14732	4.0
193.08614	100.0
211.09621	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0867
Annotation	1-Acetyl-beta-carboline
Peak:m/z	Relative Intensity
55.01834	1.0
55.05503	2.2
56.96564	4.0
57.07058	0.9
67.05488	2.7
69.07053	1.3
71.57949	0.7
71.58327	0.9
79.05479	1.8
81.03400	1.4
81.07071	3.3
83.04978	1.7
83.08607	1.3
91.05466	1.5
93.07047	1.3
95.04948	1.5
95.08601	2.7
97.10179	0.9
105.07043	1.4
108.13680	0.8
109.10141	2.9
116.00226	1.1
119.08564	1.3
121.10099	1.0
123.04408	0.9
123.08076	0.8
133.10106	1.1
135.11656	0.8
155.03436	1.2
163.97690	2.9
167.06032	2.4
168.06802	1.1
169.07616	26.4
169.09937	1.0
170.07921	0.7
175.14807	0.8
181.98820	2.4
184.58200	0.6
185.07068	4.6
192.06831	1.5
193.07602	28.0
194.07854	1.1
205.98805	4.4
211.08662	100.0
212.08972	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	210.9404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22279	17.1
58.76356	17.1
70.06591	34.3
70.93604	37.1
78.16959	17.7
84.08147	100.0
94.92945	25.0
105.66538	19.9
120.94559	31.5
176.85188	22.5
201.96997	19.0
210.94046	65.3
210.97119	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03938	4.6
54.84777	1.3
55.01857	5.6
55.05510	88.2
57.03441	2.7
57.07050	2.4
59.04987	4.5
65.03925	2.8
67.05504	12.0
69.03413	6.4
69.07066	8.8
71.05001	9.0
71.31174	4.3
78.04670	1.7
79.05489	9.8
81.07053	17.3
82.06580	10.0
83.04977	100.0
83.08616	55.2
84.08148	2.7
85.02886	2.0
85.06542	3.1
85.49387	1.5
89.92083	1.5
91.05465	15.7
93.06495	1.7
93.07046	30.6
95.04967	83.6
95.08586	6.4
97.06517	7.5
97.10151	8.2
99.04464	11.8
100.11256	31.1
103.05459	5.5
103.75056	1.8
105.07028	8.2
106.04141	3.2
107.08594	28.5
109.06515	16.7
109.10147	19.5
110.06007	5.1
111.08071	10.0
115.07567	1.6
117.07002	1.7
119.08578	3.7
121.06488	9.0
121.10136	76.8
123.08042	2.1
123.11678	9.9
123.98574	1.5
125.09623	11.7
131.04906	4.0
131.08559	2.2
133.10121	9.5
135.08049	4.0
135.11662	4.2
137.06041	1.7
137.09563	2.0
139.08641	3.9
145.10162	2.9
147.11679	1.8
149.06006	9.1
149.09615	3.1
149.13228	6.3
151.11185	28.7
153.08055	2.3
153.09120	23.0
159.79324	1.5
163.14815	13.8
167.14310	49.3
173.13242	4.6
177.05472	6.9
191.03493	1.8
191.06941	1.8
191.10580	1.6
191.14252	8.9
209.04340	2.1
209.08026	3.6
209.11647	1.6
209.15337	17.5
209.16745	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03931	3.8
55.01873	4.7
55.05507	4.5
56.96563	1.0
57.03426	1.2
57.07055	3.7
57.07300	0.9
59.04981	1.0
60.77454	0.8
65.03926	2.9
67.05503	12.1
68.03721	0.9
68.68010	0.8
69.03426	17.4
69.07058	6.2
69.80621	1.1
71.04961	2.3
71.49981	1.4
78.04702	1.0
79.05492	8.2
81.03411	11.1
81.07058	12.2
83.04979	8.3
83.08604	2.0
85.06536	2.2
88.43339	0.9
91.05474	9.6
93.03408	2.5
93.07039	10.9
95.04969	14.2
95.08604	12.5
97.06540	4.6
99.04412	1.0
99.08101	1.3
102.90310	0.9
103.05458	3.3
105.07025	9.0
106.04173	5.9
107.03866	0.9
107.04942	1.2
107.08597	16.8
109.06515	16.9
109.10150	3.4
111.08024	2.3
117.07027	1.4
119.08569	9.5
121.06495	9.7
121.10136	20.6
122.12891	1.1
123.08053	12.1
123.11697	11.4
125.05978	2.1
125.09643	10.4
131.04890	1.4
131.08569	2.7
133.10083	2.6
134.03636	1.0
135.08041	6.0
135.11700	2.8
136.08740	1.0
137.05899	1.0
137.09583	4.5
137.13243	2.5
139.07465	1.1
143.08621	1.3
145.10101	2.8
147.04449	1.1
147.11734	4.4
148.05164	2.2
149.05960	9.3
149.09647	12.3
149.13234	9.3
151.11171	6.5
153.05544	0.9
153.09117	3.8
158.10864	1.4
159.04393	1.0
163.07518	1.8
163.11163	4.3
163.14847	1.7
165.12750	100.0
166.12947	1.0
173.13226	4.6
177.05470	5.4
181.08553	1.6
191.07037	2.6
191.10684	1.1
191.14308	19.4
209.08055	2.6
209.15358	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03936	6.0
55.01873	12.8
55.05512	32.1
57.03429	7.7
57.07067	4.7
59.04998	3.8
65.03941	8.8
67.05505	16.7
69.03433	5.1
69.07065	14.9
70.05084	5.1
71.04991	15.8
75.04486	4.2
77.03941	1.4
78.04726	6.7
79.05112	1.0
79.05492	33.7
81.03423	3.7
81.07059	29.0
83.04982	50.8
83.08620	17.5
85.02895	5.1
85.03381	1.2
85.06545	3.2
89.03928	4.8
91.05479	47.4
93.03423	11.1
93.07047	40.8
93.07635	2.6
95.04968	93.1
95.08606	12.2
97.06532	31.6
97.10169	3.1
97.87093	1.4
99.04458	13.4
99.08082	3.1
103.05466	25.8
105.03386	3.1
105.07030	19.2
106.04175	35.0
107.04969	12.9
107.08595	40.8
109.06519	100.0
109.10162	22.1
111.04436	4.7
111.08067	11.5
115.05452	2.9
116.06255	1.7
117.03383	5.0
117.07024	6.3
119.04947	5.9
119.08590	9.8
121.06512	52.5
121.07382	3.3
121.10151	34.6
123.04420	9.3
123.08054	10.5
123.11739	7.7
124.05201	2.6
125.05997	15.7
125.09622	9.3
129.07024	2.1
130.07742	2.8
131.04935	30.6
131.08569	38.2
133.06491	1.9
133.10153	19.0
134.03639	9.6
135.04424	5.0
135.08058	12.9
135.11697	5.5
137.05994	6.3
137.09695	2.1
138.06750	5.8
139.07535	4.8
145.02870	4.3
145.06474	2.3
145.10136	16.1
147.04420	5.0
147.08015	2.9
147.11653	3.3
148.05200	7.2
149.04796	3.5
149.05989	69.9
149.09612	30.3
149.10747	2.2
149.13278	6.8
150.06493	1.7
151.03891	1.7
151.07532	4.5
151.11174	17.2
153.05511	6.8
153.09102	40.0
158.10860	2.1
159.04434	6.4
163.03969	2.5
163.07491	10.5
163.11176	11.1
163.14824	5.6
165.05528	1.4
165.73164	1.5
166.06294	3.9
166.49513	1.5
167.07042	5.6
167.10683	2.1
167.14308	24.0
173.09567	2.4
173.13261	8.8
177.05492	34.5
177.09187	1.8
178.09915	13.9
179.10638	2.5
181.04956	1.5
181.08600	8.6
189.42599	1.4
191.07016	5.0
191.10693	10.3
191.12549	1.6
191.14311	16.1
194.05809	1.9
194.09415	2.1
209.04532	3.1
209.08118	10.6
209.11777	19.1
209.15364	32.3
227.10454	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03951	2.9
53.66786	1.1
54.05830	1.1
55.01865	8.9
55.05508	5.8
57.03431	1.9
57.07071	5.8
64.27926	1.0
65.03928	3.0
67.05490	8.2
69.03421	3.3
69.07073	10.7
70.55605	0.9
70.72416	3.5
71.04983	5.1
75.04494	1.7
78.04693	3.4
79.05487	15.3
81.03415	1.9
81.07055	12.8
83.04974	4.1
83.08619	3.2
85.02903	2.6
85.06573	1.6
88.27902	1.3
89.03926	2.2
91.05480	20.2
93.03389	6.1
93.07039	25.1
95.04974	15.1
95.08613	10.6
97.06512	6.3
99.08105	1.8
99.38031	1.0
103.05465	7.8
105.03438	1.2
105.07024	16.6
106.04174	15.8
107.04948	3.0
107.08591	31.3
109.06515	100.0
109.10159	12.9
111.04414	1.3
111.08111	2.6
115.05460	1.2
116.10191	1.1
117.03393	2.3
117.07014	4.2
119.04911	1.7
119.08588	12.2
120.05709	1.2
121.06503	23.0
121.10144	11.0
123.04455	1.2
123.08061	13.8
123.11678	2.4
125.05978	5.0
131.04958	3.0
131.08572	15.5
133.10127	11.1
134.03587	2.2
135.04396	1.7
135.08047	30.0
135.11678	3.7
137.06009	3.0
137.09648	3.2
138.06760	1.4
140.35324	1.1
145.10114	9.5
147.08047	6.1
147.11687	35.8
148.05289	2.4
148.08888	1.4
148.11908	1.3
149.05991	20.5
149.09625	14.9
149.13263	20.0
150.13593	1.2
151.07579	1.8
151.11189	3.5
152.06171	1.4
153.05490	1.5
153.06953	2.2
153.09077	7.2
158.10875	2.2
161.09644	1.6
162.10381	2.5
163.07591	1.6
163.11174	3.8
163.14813	2.8
165.06960	2.0
165.12759	3.2
167.07010	2.4
167.14278	1.6
173.13271	18.5
176.11974	2.4
177.05464	10.2
181.06467	1.6
181.08607	4.7
181.10109	3.5
191.14307	86.4
193.04967	1.0
194.07268	4.4
209.07990	4.1
209.09641	16.9
209.11717	3.2
209.15358	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03942	3.4
55.01867	5.3
55.05511	66.4
57.03437	2.8
57.07069	3.6
59.04988	4.4
65.03922	3.5
67.05506	12.5
69.03439	10.4
69.07055	8.6
70.92135	3.2
70.92464	2.6
71.04990	6.8
79.05489	8.6
81.07053	21.4
83.04482	5.0
83.04983	100.0
83.08607	28.9
85.06544	5.2
91.05478	12.3
93.03406	2.2
93.07035	19.2
93.95299	2.2
95.04971	42.4
95.08616	10.2
96.69160	2.4
97.06520	9.9
97.10142	5.6
99.04453	9.4
103.05488	4.9
105.07020	5.2
106.04154	5.9
107.04955	4.3
107.08594	30.7
109.06536	14.1
109.10134	19.9
111.08075	12.1
113.09654	2.3
119.08585	2.9
121.06507	8.5
121.10139	27.0
123.08055	4.3
123.11707	10.2
125.05965	3.1
125.09645	15.0
131.04921	4.3
131.08560	5.2
133.10110	13.0
135.08060	5.1
135.11736	3.2
145.10101	2.7
147.11674	2.4
148.05159	4.3
149.06017	14.1
149.09715	5.2
149.13301	11.4
151.11185	30.1
153.01846	4.2
153.09129	11.1
163.14818	4.1
167.14320	49.7
173.13261	4.7
177.05498	7.1
191.14325	10.2
194.05740	3.5
209.08099	8.1
209.11693	2.0
209.15359	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
54.00343	2.5
55.01870	7.1
55.05510	41.8
57.07067	5.6
59.40252	2.6
62.68795	2.4
65.03934	4.8
67.05503	15.5
69.03405	5.8
69.07066	11.5
69.27155	13.0
69.27580	15.3
71.04984	9.5
79.05498	17.6
81.03402	2.7
81.07054	12.6
82.48779	2.4
83.04980	58.6
83.08614	26.0
88.27663	2.8
90.67850	2.4
91.05470	16.7
93.03465	2.5
93.07041	38.7
94.06600	2.6
95.04964	40.1
95.08598	11.4
96.49852	2.7
97.06516	10.7
98.20690	5.2
99.04485	7.3
103.05451	4.9
105.07027	13.4
106.04137	4.0
107.04986	4.3
107.08588	43.0
109.06505	17.7
109.10135	14.1
111.08077	6.8
111.24129	2.8
117.07072	2.7
119.08602	5.0
121.06503	12.7
121.10138	100.0
121.11037	4.7
123.04427	3.2
123.08062	3.0
123.11707	6.5
124.05238	2.6
125.05997	4.5
125.09618	5.5
131.04955	4.8
131.08548	12.4
133.10124	5.5
134.03642	2.4
135.04424	3.2
135.08069	5.7
135.11716	7.4
137.06006	2.8
145.10118	7.3
148.05217	3.6
149.05988	11.1
149.09630	13.5
149.13281	5.8
151.11183	16.4
153.05455	3.5
153.09074	12.0
160.97580	2.8
163.07538	4.6
163.11244	3.8
163.14787	18.2
165.09106	2.6
167.07080	8.4
167.14319	33.5
173.13278	4.0
177.05499	7.7
180.94023	2.5
181.04942	18.7
182.25673	2.4
191.07063	3.5
191.10674	5.1
191.14369	10.0
194.02121	4.4
195.10109	2.4
197.30037	2.5
209.04356	3.3
209.08015	6.3
209.09766	4.7
209.11707	4.3
209.15356	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03930	4.3
55.01862	5.3
55.05505	6.4
56.96556	2.1
57.07054	4.5
59.04980	2.9
65.03928	4.9
67.05501	13.3
69.03425	18.7
69.07069	8.6
69.61166	6.4
69.61573	2.8
71.04987	1.9
75.04455	1.7
79.05497	8.6
81.03416	13.1
81.07048	15.2
83.04976	9.1
83.08608	3.7
85.02857	1.4
85.06527	2.1
89.03902	1.8
91.05477	13.0
93.03397	2.5
93.07038	17.5
95.04969	17.0
95.08041	1.5
95.08604	14.4
97.06512	4.9
99.08086	2.3
103.05447	3.3
105.07033	10.6
106.04151	7.7
107.04941	3.0
107.08595	20.9
108.05728	1.2
109.06513	18.9
109.10134	5.1
111.04443	1.1
111.08084	3.4
117.06983	2.4
119.04919	1.1
119.08575	9.2
121.06519	13.1
121.10136	20.1
123.08058	15.1
123.11696	12.7
125.05982	2.5
125.09632	12.1
131.08554	3.5
133.10136	4.1
135.08038	6.0
135.11670	3.0
137.09596	3.1
137.13239	3.5
145.02844	1.8
145.10100	4.1
147.11736	6.4
148.12146	1.1
149.05986	11.0
149.09605	13.2
149.13246	9.3
151.11179	8.8
153.09097	4.0
158.10812	1.2
163.07507	2.2
163.11134	5.0
165.12750	100.0
173.13240	5.4
177.05476	6.7
181.08614	2.1
191.06990	2.9
191.12694	1.2
191.14320	19.6
209.06129	1.4
209.07961	2.7
209.15346	52.0
210.15546	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03935	4.5
55.01860	6.2
55.05506	8.9
56.96552	1.5
57.03423	1.9
57.07066	2.9
59.04992	3.7
61.62564	0.9
65.03925	5.7
67.05496	15.0
68.99821	1.1
69.03429	12.8
69.07066	16.6
70.92251	2.1
71.04991	8.5
75.04462	3.2
75.54136	1.0
78.04713	4.1
79.05492	12.6
81.03405	3.4
81.07047	19.4
82.04177	2.4
83.01340	1.6
83.04974	17.9
83.08616	7.4
85.02894	3.9
89.03912	3.1
89.06020	1.0
91.05473	25.4
93.03405	9.0
93.07038	22.5
95.04964	16.9
95.08603	32.6
97.02895	2.5
97.06522	14.2
99.08096	4.8
103.05452	8.1
105.07025	13.1
106.04168	22.4
107.04961	4.7
107.08587	39.2
109.06500	15.6
109.10152	17.1
111.04418	2.6
111.08058	6.7
113.09605	1.8
117.03417	1.5
117.07005	2.3
119.04937	2.9
119.08560	6.9
121.06491	28.1
121.10136	37.3
123.04414	1.7
123.08068	8.2
123.11685	6.0
124.05229	1.2
125.05969	6.7
125.09601	8.8
131.04926	2.7
131.08559	7.4
132.05733	1.0
133.02974	1.0
133.06514	1.4
133.10114	20.2
134.03641	3.3
135.04449	2.0
135.08041	17.6
135.11691	8.7
137.05956	3.3
137.09605	3.1
138.06746	1.4
139.03804	1.1
139.07552	5.1
139.11191	4.5
143.08562	1.9
145.02838	2.3
145.10162	4.7
147.04401	1.0
147.07993	1.2
147.11655	7.7
148.05190	3.6
148.08817	1.3
149.05965	26.9
149.09622	12.6
149.13240	18.6
151.03976	1.5
151.07648	2.1
151.11169	100.0
152.11559	1.8
153.01830	8.3
153.05472	2.9
153.09055	8.6
158.10921	3.5
163.07553	4.2
163.11165	6.1
163.14822	8.5
165.12790	4.8
166.06276	1.3
167.07069	2.4
167.10713	1.6
167.14276	1.8
173.13245	15.8
176.04565	1.0
177.05453	12.3
181.08551	4.9
191.06989	7.4
191.10710	2.3
191.14305	41.1
192.29669	1.0
194.02081	1.7
209.04442	3.1
209.08054	10.1
209.09763	1.5
209.11787	3.4
209.15343	21.5
209.18762	1.1
210.15729	1.2
225.45125	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01874	4.2
55.05500	5.6
55.59580	2.8
55.65211	2.9
57.03427	3.1
67.05495	9.2
67.52909	2.5
69.03446	7.1
69.07059	5.3
69.37323	29.3
71.04987	4.3
79.05493	20.2
81.07062	31.7
83.08619	6.0
91.05485	15.3
93.07034	10.8
95.04957	7.7
95.08587	9.2
98.21449	6.3
103.05433	4.1
105.07021	11.3
107.08582	53.4
109.06520	38.5
109.10135	10.1
115.05482	3.5
117.06982	6.1
119.08559	5.2
121.06477	6.2
121.10151	29.4
122.07256	6.1
123.08009	6.6
131.08603	6.6
133.10130	100.0
135.08061	21.2
137.09621	77.5
149.05978	8.1
149.09653	4.1
149.13258	19.0
163.14789	4.2
165.06926	3.0
173.13286	6.5
177.05389	3.8
191.14308	14.6
207.45854	2.9
209.15372	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03940	3.5
55.01868	7.7
55.05510	11.5
57.03429	3.3
57.07058	3.5
59.04997	4.3
65.03935	3.8
67.05513	10.9
68.99798	2.4
69.03428	8.3
69.07069	13.8
69.63602	1.7
69.64012	7.5
71.04998	6.2
71.05324	1.0
75.04459	1.8
75.88637	1.0
77.03952	1.5
78.04710	1.8
79.05053	2.2
79.05497	25.7
81.03416	4.7
81.07057	47.1
82.73234	1.3
83.04984	9.0
83.08616	2.4
85.02929	1.8
85.06564	1.8
89.03928	2.0
91.05479	26.2
93.03426	3.1
93.07044	30.3
93.07628	2.0
95.04969	17.1
95.08602	15.7
96.05301	1.3
97.02930	1.4
97.06545	8.3
97.10191	1.3
99.04456	3.8
99.08113	2.2
103.05443	6.9
105.03388	2.0
105.07036	18.5
106.04181	10.3
106.07390	3.4
107.04976	8.6
107.08595	100.0
109.06520	15.2
109.10180	6.4
110.03617	1.3
111.04413	1.8
111.08029	2.9
115.05465	3.2
115.07603	3.2
117.07041	4.4
119.04935	6.7
119.08569	10.6
121.06501	27.9
121.09311	2.4
121.10154	26.4
123.04447	2.8
123.08051	11.2
123.11714	4.3
125.06003	5.4
125.09634	4.3
131.04930	3.3
131.08582	6.9
133.02841	2.8
133.06505	3.6
133.10129	10.2
134.03688	1.5
135.04448	2.6
135.08054	15.7
135.11697	7.1
136.05202	1.8
137.05995	10.1
137.09659	3.6
139.03853	1.9
139.07579	3.7
145.10153	6.8
146.07262	3.1
147.04420	9.0
147.08026	8.9
147.11668	21.0
148.05170	5.1
149.05983	15.9
149.09631	13.4
149.13258	13.6
151.04028	1.6
151.07523	11.0
151.11162	7.5
153.01820	6.9
153.05424	7.2
153.09108	4.2
154.06310	2.2
162.06744	7.1
163.03943	1.6
163.07552	10.6
163.11189	9.5
163.14845	11.3
165.05489	12.4
165.12782	30.3
166.06342	8.4
166.07599	2.2
167.06990	3.2
167.14359	3.5
168.07790	13.6
173.13249	12.1
176.08556	1.3
177.05482	8.8
177.09108	8.0
178.09897	25.3
179.07045	13.1
181.08607	34.2
181.10173	1.9
191.07019	2.1
191.10660	2.4
191.14310	50.6
194.09395	27.5
209.04510	2.4
209.08083	31.4
209.11696	37.0
209.15343	25.8
210.08351	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03943	1.8
55.01862	3.2
55.05509	65.9
57.03430	1.7
57.07067	1.7
59.04995	3.7
64.84720	1.0
67.05509	8.5
69.03425	6.1
69.07056	5.1
69.41151	2.4
69.41566	8.7
71.04997	2.9
79.05497	3.5
81.07049	11.2
83.04978	100.0
83.08613	36.2
85.06525	3.1
91.05473	4.8
93.07037	7.0
95.04980	5.2
95.08602	5.7
96.05715	1.6
97.06543	6.7
97.10172	9.0
99.08133	1.8
105.07041	3.4
106.04154	2.0
107.08588	15.7
109.06501	9.0
109.10153	20.2
109.10842	1.9
111.08060	7.0
113.09663	1.9
117.06912	1.1
119.04977	1.1
121.06546	3.3
121.10147	6.7
123.08038	1.3
123.11710	13.7
125.06030	1.3
125.09621	11.4
133.10114	5.6
145.10078	1.4
149.05992	2.9
149.09546	1.1
149.13240	8.9
151.11166	29.1
153.09033	1.4
167.14313	65.7
173.13322	2.1
177.05280	1.1
177.07845	1.0
178.08772	1.4
181.08528	2.0
191.14294	3.7
204.51187	1.3
209.15359	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03928	5.1
55.01873	13.6
55.05266	2.5
55.05511	38.9
57.03427	5.3
57.07059	7.7
57.98167	1.3
59.04992	5.2
65.03925	6.0
67.05502	19.9
68.99776	5.1
69.03429	11.5
69.06727	1.9
69.07066	25.7
69.61716	4.9
69.62142	8.4
71.04984	11.8
77.03866	1.8
78.04704	4.1
79.05487	25.4
81.03385	4.0
81.07051	30.7
83.01339	43.0
83.04977	34.8
83.08622	14.4
85.02896	1.9
85.06544	10.5
89.03873	3.6
90.51733	1.6
91.05479	38.0
92.06291	1.7
93.03385	4.3
93.07040	47.6
95.04967	40.5
95.08600	26.5
97.02877	1.8
97.06529	32.9
97.10177	4.4
99.04451	9.1
99.08085	38.3
101.06008	7.3
103.05451	13.4
105.04530	1.9
105.07038	23.7
106.04176	13.7
107.04957	17.5
107.08595	63.5
109.06514	28.0
109.10144	21.6
111.04425	6.1
111.08083	22.7
113.09726	1.8
117.03442	1.9
117.07036	8.5
119.04920	4.5
119.06004	1.8
119.08580	14.1
120.05716	5.0
121.06502	40.1
121.10147	40.1
123.04413	6.4
123.08087	15.0
123.11679	11.7
124.05199	2.7
125.06014	11.6
125.09614	33.3
127.07583	2.5
129.07080	1.7
130.87929	1.6
131.04904	4.9
131.08574	13.5
133.10123	25.7
134.03593	5.0
134.07339	1.8
135.04422	1.9
135.08057	21.4
135.11710	9.7
137.05968	3.5
137.09612	16.5
139.07533	30.9
139.11134	10.0
143.08627	1.8
145.02805	1.9
145.10110	7.4
147.04430	2.5
147.11665	6.2
148.05179	30.6
149.05992	32.1
149.09619	78.4
149.13263	22.2
150.06331	1.8
151.03862	3.0
151.11182	45.5
153.01875	9.9
153.05496	3.9
153.09081	31.4
154.09848	2.6
155.10696	2.0
159.04373	3.5
162.03206	2.7
163.03860	3.1
163.11183	4.2
163.14784	11.9
165.05469	2.3
165.12740	5.5
166.06207	5.1
167.07039	27.9
167.10683	4.0
167.14308	6.2
173.13295	22.1
176.04686	5.4
177.05458	26.0
177.09093	5.8
181.08604	3.8
181.15880	7.3
191.10660	2.6
191.14310	34.2
193.05035	4.3
194.02151	2.5
194.05739	28.6
198.06494	1.8
209.04567	2.7
209.08092	63.5
209.11368	3.4
209.15372	100.0
210.08624	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03940	1.8
55.01865	7.9
55.05509	32.2
57.03439	1.1
57.07067	6.6
59.04964	1.0
65.03928	1.1
67.05170	1.7
67.05498	16.8
69.03426	1.5
69.07064	6.3
69.71767	1.0
70.72186	2.9
71.04993	2.5
79.05487	16.1
81.03363	1.1
81.06581	1.5
81.07052	23.6
83.04977	100.0
83.08618	5.3
83.66827	1.1
85.06533	3.4
91.05476	10.8
93.07037	30.4
95.04970	3.3
95.08603	21.0
97.06523	2.6
97.10141	2.5
105.07007	4.4
107.08586	20.3
109.06519	4.2
109.10158	7.1
111.04420	1.3
111.08073	8.6
117.07030	1.5
117.19726	1.1
119.08556	2.2
121.06493	2.3
121.10133	11.0
123.08048	1.2
123.11681	1.6
125.06018	1.1
125.09643	3.4
131.08546	3.3
133.10112	1.4
134.03584	1.0
135.08034	5.5
135.11713	3.3
139.07521	1.1
139.11188	1.2
145.02782	1.5
145.10092	2.2
147.11681	2.9
149.05989	2.2
149.09583	3.7
149.13231	9.7
151.11180	0.9
153.05534	1.1
153.09100	3.1
163.14795	8.7
165.12695	1.5
173.13254	3.6
177.05464	2.2
179.10699	1.0
181.15794	0.9
191.07025	1.8
191.10735	1.2
191.14258	5.6
193.12138	0.9
194.12962	1.1
209.07951	1.5
209.09830	1.3
209.13564	1.6
209.15350	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.11208	1.2
53.03929	6.2
55.01871	21.3
55.05509	28.5
56.73567	1.5
56.96555	2.8
57.03424	3.6
57.07073	11.1
58.77464	1.3
58.84388	1.4
65.03938	9.8
67.05505	42.0
68.00700	1.5
69.03089	1.4
69.03426	21.3
69.07072	16.9
71.04972	6.3
71.10755	3.5
71.84618	1.3
73.02907	2.7
75.04461	5.1
77.03937	2.1
77.63869	1.4
78.04695	5.1
78.76723	1.4
79.05492	53.4
81.03425	7.9
81.06593	2.4
81.07055	43.3
83.01311	2.1
83.04978	24.4
83.08613	11.7
84.08105	1.9
85.02886	5.8
85.06545	9.3
89.03893	4.6
91.05476	41.7
93.03403	11.0
93.07043	62.5
95.04970	27.3
95.08601	56.3
97.02870	5.0
97.06522	15.6
99.04445	7.7
99.08094	1.9
103.05466	15.0
105.03395	3.3
105.04533	2.0
105.07034	22.3
106.04175	32.7
107.04417	1.4
107.04971	16.5
107.07869	3.1
107.08592	63.7
109.06516	18.5
109.10132	8.6
111.04443	5.5
111.08081	11.2
113.05912	1.7
115.05431	2.0
117.03364	4.1
117.07016	17.0
119.04889	3.4
119.08589	12.8
121.06500	39.6
121.10143	25.7
123.08055	8.8
123.11694	4.9
125.05984	9.6
125.09629	59.2
129.06999	1.7
130.07774	2.7
131.04893	4.6
131.08542	9.2
133.10110	10.5
134.03606	4.2
135.04375	3.4
135.08073	16.8
135.11688	42.2
137.05960	5.3
137.13248	1.9
138.06740	2.3
139.07501	3.8
143.08498	2.1
145.02850	4.2
145.09039	2.5
145.10112	30.0
147.04384	2.0
147.11635	5.6
148.05193	5.1
149.05974	38.5
149.09610	10.2
149.13274	10.4
150.10414	2.2
151.07512	2.3
151.11174	7.0
153.05508	3.4
153.09111	16.4
158.10864	3.6
159.04356	2.1
161.09647	1.4
162.22519	1.5
163.03839	1.5
163.07526	5.4
163.11169	28.5
163.14786	5.9
165.05499	2.6
165.07008	2.2
165.12770	18.2
166.06300	1.8
166.07693	2.1
167.07089	1.7
167.14368	2.5
173.13225	16.1
174.99840	1.4
177.05470	20.4
181.08670	6.9
181.09996	2.3
191.07004	9.0
191.14302	83.8
192.14656	2.5
209.04388	3.8
209.08058	10.1
209.09764	3.3
209.15349	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.90930	1.3
53.03939	2.4
55.01872	2.7
55.05505	8.1
57.03434	5.5
57.07078	3.9
59.04992	3.7
65.03933	2.2
65.59265	1.3
67.05502	11.0
69.03420	3.4
69.07054	5.4
69.98636	6.7
71.04985	4.5
71.91862	1.2
79.05498	14.0
81.03439	1.7
81.07057	25.9
83.04986	7.7
83.08627	6.7
85.06538	2.8
91.05486	9.5
93.07034	16.1
95.04968	33.2
95.08598	10.0
97.06525	19.9
99.04453	6.1
105.07020	11.2
106.04173	2.3
107.04961	2.0
107.08601	20.4
109.06514	100.0
109.10147	19.0
111.08077	6.2
117.07027	2.7
119.08559	3.9
121.06514	5.7
121.10147	26.2
123.08067	6.2
123.11675	1.9
125.05944	1.6
125.09645	4.0
131.08563	7.3
133.10126	29.3
135.08043	13.7
135.11723	5.3
137.09605	8.3
143.08569	1.7
145.10117	2.9
147.11696	4.2
149.05969	3.8
149.09621	5.7
149.13196	8.2
151.07542	3.3
151.11197	5.8
153.05444	2.5
153.09103	28.5
163.07605	4.4
163.14859	3.9
165.12784	3.1
166.06351	1.7
167.14339	3.1
168.07965	2.0
173.13278	10.6
177.05429	2.1
178.09892	9.0
179.06998	2.0
181.08646	6.9
191.14304	17.7
194.09395	4.4
209.08046	4.2
209.11743	7.3
209.15349	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03961	6.3
55.01871	7.1
55.05505	20.4
57.07080	8.0
59.04996	5.3
61.84838	5.2
67.05498	25.3
69.03434	15.3
69.07064	35.9
69.94716	35.2
71.04985	8.8
79.05495	25.7
81.07053	36.0
83.04987	38.9
83.08610	16.2
85.06534	10.6
91.05495	25.4
93.07033	52.6
95.04970	17.0
95.08619	33.6
97.06537	17.7
99.08087	28.2
105.07037	17.6
107.08598	99.8
109.06532	24.3
109.10160	32.6
111.08072	15.3
119.08572	12.5
121.06528	19.3
121.10139	47.8
122.78213	4.9
123.08082	20.8
123.11745	17.9
125.05979	14.8
125.09645	20.8
131.08543	13.7
133.10123	44.1
135.08113	26.2
135.11674	17.5
137.09627	14.9
139.07495	8.7
144.83199	5.2
147.11694	16.7
149.06061	6.6
149.09625	100.0
149.13249	38.1
151.11179	83.6
153.01820	7.4
153.09109	16.4
158.10817	6.7
163.14867	17.8
165.12738	10.6
167.14316	7.4
173.13280	28.4
177.05565	6.8
191.14313	47.8
209.15355	77.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.02379	2.1
53.03928	3.2
55.01870	16.7
55.05507	25.8
56.96554	4.8
57.03418	6.5
57.07084	8.2
59.04982	4.9
65.03928	8.9
67.05180	2.1
67.05505	30.6
68.99780	3.8
69.03429	21.3
69.07066	20.9
69.46346	7.7
69.46765	6.1
70.06554	1.7
71.04996	12.5
75.04446	4.0
77.42883	1.9
78.04694	5.3
79.05485	29.1
81.03423	3.8
81.07058	33.4
83.01337	39.4
83.04978	29.8
83.08603	13.7
85.02895	5.9
85.06532	7.2
89.03905	3.4
91.05477	43.9
91.89761	1.5
93.03392	10.8
93.07037	50.9
95.04961	41.0
95.08601	24.4
97.02879	2.1
97.06519	27.2
97.10149	4.2
99.04464	9.3
99.08092	28.2
101.05995	4.2
103.05466	16.2
105.07025	23.3
106.04167	29.0
107.04943	11.2
107.08592	61.2
108.05724	2.3
109.06509	21.1
109.10162	24.1
111.04421	5.4
111.08077	20.7
113.24725	1.5
117.03340	2.6
117.07001	7.3
119.01861	1.9
119.04942	4.7
119.06126	1.9
119.08563	16.4
120.05692	1.7
120.08060	1.7
121.05653	3.3
121.06504	51.2
121.09327	2.6
121.10143	44.5
123.04408	6.0
123.08070	14.7
123.11684	8.5
125.06007	13.2
125.09629	40.0
127.07582	2.8
131.04922	10.8
131.08575	17.6
133.06480	2.6
133.10130	24.5
134.03625	6.0
135.04405	4.1
135.08044	23.3
135.11662	13.3
137.02922	2.3
137.05948	4.8
137.09621	12.8
137.13211	2.2
138.06693	3.0
139.07532	27.4
139.11157	9.8
142.67920	1.5
145.02823	2.3
145.10094	15.3
147.04413	4.3
147.11678	7.1
148.05188	13.4
148.72850	1.6
149.04794	1.9
149.05988	46.7
149.09608	62.9
149.13264	21.9
151.03868	2.3
151.07471	3.6
151.11179	35.9
153.05484	4.7
153.09091	27.7
154.09827	3.1
155.10620	2.2
158.10873	4.5
162.03200	2.1
163.03918	3.6
163.07521	4.0
163.11194	15.6
163.14798	13.5
165.12721	4.7
167.07019	5.4
167.10620	3.9
167.14299	4.8
171.86816	1.6
173.09605	2.1
173.13283	19.9
176.04610	1.6
177.05458	22.5
178.05884	1.6
181.04991	1.8
181.08598	6.7
181.15916	7.7
186.36555	1.6
191.06998	4.5
191.10674	6.6
191.14291	32.8
194.02100	2.8
194.05733	6.0
209.04404	13.6
209.06218	3.2
209.08055	26.3
209.09962	3.1
209.11768	6.0
209.15361	100.0
210.15631	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
52.79941	0.9
53.03936	1.3
55.01855	2.5
55.05512	61.7
57.03438	2.2
57.07072	2.5
59.04995	3.4
67.05497	7.6
69.03426	7.5
69.07076	4.5
70.71195	2.3
71.04988	3.1
79.05489	4.6
81.07054	13.0
83.04983	100.0
83.08143	1.6
83.08624	27.4
85.06528	2.8
91.05470	4.2
93.07052	10.7
95.04974	19.1
95.08611	4.4
97.06537	11.2
97.10160	7.2
99.04460	2.7
105.07027	4.0
107.08591	15.9
109.06519	27.8
109.10154	20.4
111.08074	10.1
113.09675	1.3
119.08538	1.1
121.10136	11.4
123.08060	2.7
123.11716	9.6
125.09637	15.4
131.08580	2.4
133.10135	9.2
135.08052	3.6
147.11655	1.0
149.09657	2.1
149.13266	5.7
151.11180	23.1
153.09099	8.6
158.10873	1.1
163.14882	1.2
167.14323	56.6
173.13231	2.1
176.23433	0.8
191.14322	4.6
209.15353	17.3
225.32939	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.64712	1.9
53.03942	3.2
55.01855	6.5
55.05510	85.0
57.03419	4.9
57.07059	3.3
58.03242	2.2
59.04992	6.0
63.68822	2.2
66.91196	2.0
67.05500	11.1
69.03412	6.3
69.07065	10.3
71.04987	6.2
71.49967	2.8
71.50326	2.2
79.05479	11.6
81.07060	16.1
82.06589	9.6
83.04979	100.0
83.08620	46.2
84.08135	2.5
91.05468	8.9
93.07041	31.8
95.04970	77.6
95.08622	10.5
97.06533	15.0
97.10148	6.7
99.04456	11.0
100.11240	18.3
105.07013	9.2
107.04986	2.6
107.08593	38.8
109.06524	32.4
109.10150	25.6
110.06039	3.4
111.08070	8.4
117.07018	2.1
119.08575	4.3
121.06524	3.8
121.10142	71.8
123.11736	12.0
123.34658	2.0
125.09582	13.5
131.04915	2.8
131.08511	3.3
133.10110	9.3
135.08023	3.7
135.11737	2.4
145.10069	2.6
147.11682	2.5
149.05989	10.0
149.13239	8.0
151.11176	34.0
153.09093	23.8
158.11003	2.1
163.07475	2.1
163.14772	10.1
167.14301	54.4
173.13260	3.8
177.05379	5.0
191.14302	9.3
209.04535	2.4
209.15173	22.8
224.89731	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03934	1.7
54.15464	0.8
55.01865	1.2
55.05508	32.7
55.46925	1.0
57.07073	1.7
59.04982	2.1
67.05508	4.3
69.03423	2.5
69.07063	8.8
69.27305	9.6
71.04993	3.0
79.05490	8.9
81.07058	7.7
83.04979	44.4
83.08620	17.3
85.06557	2.9
89.03907	1.1
91.05482	8.1
93.07041	33.2
95.04359	1.9
95.04968	35.0
95.08604	7.7
96.39415	0.8
97.06535	6.1
97.10164	4.3
99.04459	5.0
103.05459	1.5
105.07014	7.2
106.04190	3.2
107.08587	33.1
109.06499	11.0
109.10152	11.4
111.08096	4.1
115.07587	1.2
119.08582	3.2
121.06530	3.1
121.10137	100.0
122.10450	2.1
123.08067	1.8
123.11687	5.6
125.09633	6.1
126.09998	0.9
128.51526	0.8
131.08559	1.7
133.10132	3.8
135.08014	1.9
135.11723	4.5
137.06020	1.0
142.98196	0.9
149.05997	3.9
149.13248	4.4
151.11176	16.2
153.05373	0.9
153.09087	8.0
163.14812	18.0
167.14307	29.9
173.13252	2.6
177.05531	1.9
181.08685	0.9
191.14308	8.4
209.15352	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03933	2.9
55.01863	5.8
55.05510	57.6
55.55244	1.8
57.07061	2.7
59.04980	4.9
63.22835	1.5
67.05501	9.1
69.03419	6.5
69.07065	10.6
70.17856	1.8
70.64087	3.5
71.04980	4.6
79.05495	13.6
81.07052	16.1
83.04980	77.0
83.08618	31.9
85.06535	2.9
86.61884	1.7
87.11391	1.7
87.53476	1.5
91.05470	6.6
93.07039	35.8
95.04967	44.9
95.08598	9.7
97.06519	5.7
97.10156	6.5
99.04472	7.8
102.24318	1.8
103.05450	2.6
105.07054	8.0
107.04938	3.2
107.08592	38.3
109.06498	16.6
109.10150	18.2
111.04449	1.9
111.08082	7.5
115.28361	1.7
119.08576	5.7
120.73077	1.6
121.06481	4.4
121.10140	100.0
123.08051	1.9
123.11695	9.3
125.09613	12.4
131.04955	2.2
131.08578	2.4
133.10106	6.1
135.08044	3.4
135.11702	5.1
145.02838	1.8
149.06004	3.0
149.09544	2.5
149.13275	6.1
151.11166	27.4
153.09119	12.7
163.03928	2.1
163.14827	16.5
167.14323	51.8
172.61919	1.7
173.13205	4.1
177.05487	4.8
179.70998	2.0
191.07024	3.2
191.10654	1.6
191.14291	11.0
209.06160	1.8
209.08049	2.8
209.15369	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1171
Annotation	nocapyrone G
Peak:m/z	Relative Intensity
50.01589	1.1
51.02367	0.7
53.03949	2.0
55.01863	4.2
55.05507	33.0
57.03434	4.3
57.07084	2.0
59.04998	2.1
64.66856	0.6
65.03934	1.3
67.05502	7.6
69.03421	6.5
69.07062	7.4
70.72422	0.7
70.72770	1.6
71.04987	6.9
77.03896	1.7
79.05488	14.4
81.03422	1.3
81.07053	10.2
83.01333	0.8
83.04975	50.4
83.08618	16.4
85.06549	2.0
89.03891	0.7
91.05479	11.9
93.03413	2.3
93.07038	16.3
95.04961	22.9
95.08594	6.2
97.06532	6.7
97.10162	3.4
98.45126	0.8
98.47498	0.6
98.97581	0.8
99.04428	4.1
99.08147	1.0
103.05463	50.0
104.05827	1.1
105.03415	1.1
105.07021	9.3
106.04160	3.6
107.04961	5.8
107.08586	20.1
109.06517	15.2
109.10146	9.8
111.04446	2.1
111.08071	4.6
113.09655	0.9
115.05455	2.8
117.07014	11.7
119.04981	0.9
119.08581	3.1
121.06509	11.8
121.10136	13.1
123.04421	42.9
123.08062	2.6
123.11708	6.8
124.04771	1.2
125.05996	2.3
125.09628	7.4
126.20213	0.6
129.06981	1.2
130.07796	1.1
131.04922	90.4
131.08559	19.6
132.05264	2.6
133.10110	5.3
134.03670	0.8
135.04399	2.3
135.08054	4.1
135.11671	2.2
137.05971	0.9
139.07504	0.9
143.08577	0.9
145.06477	8.2
145.10115	8.3
147.04399	11.2
147.08078	0.9
147.11690	1.3
148.05161	1.0
149.05974	100.0
149.09590	13.7
149.13257	4.4
150.06355	2.5
151.07552	1.6
151.11177	13.2
153.01830	2.7
153.05432	3.2
153.09106	6.4
163.07539	6.1
163.11189	5.9
163.14822	2.1
165.12675	1.1
167.03412	1.1
167.07021	3.0
167.10638	0.9
167.14308	26.1
173.13310	2.3
177.05476	2.3
181.08659	0.8
186.71440	0.8
191.07024	6.4
191.08705	0.8
191.10661	5.0
191.14323	3.7
194.05847	0.6
209.08090	7.5
209.11736	6.6
209.15326	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	209.1173
Annotation	Coronafacic acid
Peak:m/z	Relative Intensity
53.03939	3.0
55.01875	13.5
55.05513	38.1
57.03438	7.1
57.07066	4.5
59.04998	4.6
62.17580	1.2
65.03946	9.1
67.05504	14.5
69.03435	6.9
69.07064	21.6
69.73139	8.2
71.04989	23.0
75.04466	2.9
76.57623	1.0
77.03939	1.4
78.04713	4.1
79.05492	48.0
80.35183	1.1
81.03398	1.9
81.06587	1.6
81.07053	20.5
83.04982	58.4
83.08620	17.0
85.02895	2.6
85.06550	3.8
87.04476	1.6
89.03922	2.8
91.05481	43.8
92.05817	1.3
93.03409	8.8
93.07043	48.6
93.07634	2.4
95.04969	100.0
95.08607	6.6
97.06524	23.3
97.10166	4.0
99.04454	16.4
99.08075	2.3
100.84974	1.2
103.05466	19.2
105.07027	29.2
106.04168	19.8
107.04957	22.6
107.08595	58.0
108.05715	1.3
109.06519	43.2
109.10162	17.8
111.04430	4.0
111.08106	9.2
115.05491	1.9
116.06241	1.8
117.03412	2.6
117.06997	10.2
119.04948	4.2
119.08590	10.0
121.06504	52.4
121.09320	2.4
121.10145	37.9
122.06830	1.4
123.04436	8.7
123.08096	6.8
123.11690	6.5
125.05989	13.8
125.09630	10.6
129.07004	3.6
130.07788	3.0
131.04929	22.9
131.08571	78.7
132.08890	1.4
133.06500	2.3
133.10138	13.6
134.03633	4.4
134.07317	1.0
135.04372	6.5
135.08075	9.3
135.11658	5.4
137.06000	4.0
138.06747	4.7
139.07516	4.4
139.11121	1.3
141.05501	1.5
143.08609	2.1
145.02840	2.2
145.06416	1.8
145.10133	36.9
146.10461	1.9
147.04410	4.9
147.08072	7.8
147.11707	4.3
148.05194	6.1
149.04816	3.1
149.05989	45.8
149.09618	63.1
149.13208	5.8
150.06621	1.4
150.10089	1.7
151.03954	1.3
151.07526	7.6
151.11201	17.6
153.05476	13.0
153.09100	31.2
159.04398	1.5
163.07552	13.0
163.11182	24.8
163.14827	2.5
165.05513	1.7
165.09113	3.2
166.06274	3.5
167.07083	6.4
167.10684	2.6
167.14331	27.5
168.07790	1.2
173.09599	1.7
173.13258	6.5
176.04649	1.6
177.05531	16.0
177.09125	3.6
178.09886	26.8
179.07072	1.6
179.10648	3.2
181.08623	10.5
191.07048	4.7
191.10667	23.2
191.14307	12.5
194.09431	4.4
209.04407	2.8
209.08421	7.0
209.11736	44.8
209.15323	20.8
210.12088	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1172
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03937	4.8
55.01867	13.2
55.05513	14.1
56.96555	3.1
57.03429	4.5
57.07076	4.1
58.66711	1.3
59.05005	1.7
61.66878	1.3
65.03919	2.4
67.05510	15.9
69.03434	31.7
69.06726	1.9
69.07068	25.2
70.06580	2.9
71.04994	22.4
71.57134	3.2
73.68594	1.7
78.04697	3.0
79.05493	54.6
81.03414	4.9
81.07054	21.6
83.04975	18.2
83.08601	2.8
85.06541	3.2
89.03920	2.0
91.05477	39.8
93.03384	2.2
93.07042	55.0
95.04973	25.0
95.08601	10.1
97.02891	2.3
97.06530	13.4
99.04455	4.6
103.05463	21.2
105.03403	2.4
105.04518	1.6
105.07032	38.2
106.04187	4.6
107.04959	36.9
107.08597	66.6
109.06508	15.4
109.10151	6.8
110.03658	2.8
111.04424	4.9
111.09171	1.9
115.05434	3.0
116.06213	4.1
117.07018	13.8
119.04947	2.1
119.06002	1.6
119.08575	12.5
121.02867	5.2
121.06498	44.7
121.10139	40.1
123.04434	19.8
123.08044	6.2
123.11693	4.3
125.05997	11.5
125.09655	8.8
129.07016	6.0
130.07770	4.6
131.04933	29.2
131.08565	100.0
133.02869	4.3
133.06496	2.3
133.10115	6.1
135.04410	14.6
135.08028	11.6
135.11713	10.4
136.05150	3.0
137.05960	3.5
138.03093	4.4
139.07565	5.1
139.11198	2.6
141.05470	4.2
143.08521	2.4
145.06445	2.9
145.10121	38.9
147.04433	6.2
147.08012	3.4
147.11710	5.0
148.05200	4.3
149.02348	20.3
149.05992	41.7
149.09619	85.5
149.13225	5.6
150.09985	1.8
151.03867	3.2
151.07513	4.5
151.11168	6.0
153.05472	24.6
153.09114	7.4
163.03889	20.7
163.07532	4.5
163.11174	31.6
163.14801	4.6
165.05429	3.0
165.09140	3.5
165.12738	2.0
166.00920	1.7
166.02606	7.1
166.06270	13.2
167.07039	43.7
167.10675	4.5
173.09650	3.9
173.13246	6.2
175.29573	1.9
177.05441	7.2
178.06242	25.4
179.03357	9.7
181.04991	4.7
181.08620	7.5
190.54195	1.7
191.07060	5.9
191.10686	29.4
191.14331	10.9
194.00345	3.6
194.02103	16.5
194.05724	18.8
209.02826	2.8
209.04454	67.1
209.07928	12.8
209.09958	2.5
209.11731	45.7
209.15347	36.1
210.04834	4.2
210.52319	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0808
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
53.03927	6.9
55.01871	25.1
55.05502	9.0
56.96545	2.7
57.07066	3.7
59.05008	3.2
63.05300	2.6
65.03935	17.7
67.05495	16.1
69.03413	5.2
69.07053	8.8
70.01122	2.1
71.05005	10.7
71.58635	2.5
75.04475	14.0
78.04704	17.1
79.05479	17.8
81.03434	3.6
81.07030	14.1
82.22498	2.3
82.56323	2.0
83.04970	12.1
83.08615	5.5
85.02892	9.3
89.03905	8.8
91.05480	62.7
93.03407	32.5
93.07040	29.5
95.04965	29.0
95.08610	16.6
97.06524	18.9
99.08122	3.2
103.05460	29.9
105.03362	5.0
105.07027	12.8
106.04169	74.5
107.04947	7.6
107.08586	40.1
109.02721	2.5
109.06516	16.0
109.10149	14.7
111.04434	3.6
111.08050	5.2
117.03358	6.5
118.04163	4.0
119.04945	8.2
119.08561	3.4
121.06499	88.5
121.10132	14.3
122.07329	2.7
123.04434	5.2
123.08035	7.2
123.11655	5.4
124.05247	4.2
125.05990	28.8
125.09618	9.8
131.04930	11.2
131.08585	5.5
133.02789	4.2
133.09212	2.4
133.10121	7.6
134.03654	13.6
135.04440	6.0
135.08026	20.8
135.11665	7.3
137.05971	13.6
137.61128	2.1
138.06760	4.8
139.07545	6.9
139.11147	3.1
145.02846	8.0
147.04369	6.3
147.11670	7.4
148.05197	13.9
149.05978	93.6
149.09619	7.2
149.13226	9.0
151.03844	3.5
151.07545	2.9
151.11176	100.0
153.05458	8.4
153.09090	18.3
157.41652	2.3
163.07536	12.5
163.11212	3.1
163.14792	8.5
165.05400	3.0
165.12703	3.1
166.06238	6.8
173.13213	7.0
176.04700	4.1
177.05478	47.3
178.05951	3.1
179.08406	2.3
181.06638	2.1
181.07167	2.3
181.08650	20.3
191.07036	23.6
191.12680	4.0
191.14290	45.0
194.05748	3.0
194.12848	2.5
209.04584	5.6
209.08063	25.5
209.09750	3.9
209.15347	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	209.0809
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
53.03927	3.5
53.94109	1.2
54.81748	1.1
55.01870	11.5
55.05514	7.1
56.96556	2.1
57.03439	1.2
59.04991	1.2
63.53225	1.0
65.03915	3.1
67.05476	3.6
68.05003	1.5
69.03413	2.4
69.07030	3.5
70.06584	2.0
70.66792	2.1
70.67169	2.6
71.04970	1.7
78.04692	1.2
79.05486	10.3
81.03399	2.0
81.07037	4.5
83.04992	7.4
83.08588	3.1
85.02877	2.6
85.06463	1.6
89.03922	9.4
91.05483	26.7
93.03385	1.4
93.07032	19.1
95.04969	17.8
95.08578	3.7
97.06510	3.5
98.21300	1.8
99.04449	1.5
103.04809	2.0
103.05463	32.1
105.03362	4.1
105.04478	1.5
105.06989	4.4
106.04145	4.8
107.04960	15.3
107.08572	6.8
109.02847	1.5
109.06513	6.2
109.07642	1.3
109.10107	2.2
111.04433	2.4
111.05583	1.5
111.08070	1.7
117.03387	8.1
117.06966	3.0
118.04150	3.0
119.04953	10.7
119.08550	2.0
120.05701	4.0
121.02838	2.2
121.05679	2.1
121.06504	38.6
121.10139	9.1
123.04441	2.5
125.09613	2.6
131.04926	41.1
131.08511	2.9
133.02815	2.5
133.10095	1.3
134.03653	15.5
134.99667	1.3
135.04434	11.9
135.07996	4.1
135.11670	1.5
137.05968	2.3
138.03056	1.2
145.02852	7.7
145.06480	2.1
145.10088	1.8
146.03561	1.3
147.04439	9.7
148.05173	17.5
149.02301	1.6
149.05980	55.8
149.09578	5.7
149.13202	1.7
150.05423	3.2
151.11143	2.8
153.05424	3.0
153.09053	2.8
159.04411	21.9
159.05566	1.1
162.03114	3.1
163.03897	10.9
163.06244	0.9
163.07516	7.6
163.11086	1.3
164.07004	1.3
164.10693	1.2
165.05469	1.6
165.06914	1.3
166.06320	5.0
166.07486	1.5
167.06952	2.7
167.14294	3.0
176.04671	7.3
177.05470	100.0
178.06166	2.9
179.03415	1.6
181.04987	2.3
181.06424	1.8
181.08478	1.4
191.03360	2.5
191.07016	9.6
191.14229	1.8
194.02098	1.4
194.05759	10.1
209.04355	4.4
209.06358	2.3
209.08041	44.1
209.15416	14.9
209.19150	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0808
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
53.03947	10.8
55.01868	27.1
55.05513	19.2
57.03422	4.8
57.07066	1.9
61.19986	1.8
65.03943	17.4
67.05175	2.2
67.05506	28.6
69.03428	4.6
69.07070	11.5
70.71761	3.3
70.72160	4.0
71.04983	4.9
73.15058	1.8
75.04481	13.5
77.03925	2.2
78.04701	17.5
79.05061	3.0
79.05493	38.7
81.03410	5.0
81.07056	25.1
81.12305	1.8
82.04178	2.0
83.04980	11.6
83.08617	7.8
85.02930	10.1
85.06557	2.8
89.03914	8.7
89.06044	2.4
91.05478	64.7
93.03405	33.9
93.07045	65.0
95.04964	38.0
95.08608	39.3
97.02905	2.6
97.06519	17.1
99.04447	3.5
103.05463	27.1
105.03389	5.3
105.04510	5.3
105.07034	11.1
106.04174	100.0
107.04971	12.8
107.08601	25.7
108.05737	2.2
109.06531	14.8
109.10190	4.4
109.55412	1.6
111.04428	5.0
111.08050	4.0
112.85856	1.5
113.09631	1.6
117.03361	7.4
117.07022	6.5
118.04196	3.3
119.04977	6.2
119.08574	6.8
120.05722	2.0
121.06505	93.5
121.10135	13.2
122.07294	1.8
123.04422	6.2
123.08107	4.6
124.05204	4.0
125.05988	26.3
125.09594	5.9
130.07770	3.0
131.04890	9.4
131.08571	1.8
133.02884	3.0
133.06451	2.3
133.10172	4.1
134.03607	20.2
135.04390	7.1
135.08075	6.1
135.11679	23.4
137.05965	13.4
138.06763	5.3
139.07541	7.4
145.02832	8.1
145.10115	19.5
146.03633	2.1
147.04439	4.4
148.05209	10.2
149.05981	97.5
149.09657	3.1
151.07562	5.2
151.11180	5.1
153.05493	12.9
153.09114	17.0
159.04431	3.6
162.03217	2.2
163.07544	9.6
163.11197	18.9
165.05507	3.8
165.12776	2.6
166.06259	4.8
167.07042	2.1
173.09756	1.7
173.13229	1.6
176.04593	2.0
177.05461	41.0
181.08607	17.3
191.07036	6.1
191.14310	5.3
192.33693	1.9
194.05838	2.4
200.73581	2.0
209.08040	21.1
209.09717	2.5
209.13438	3.7
209.15355	13.9
222.13162	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0808
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
53.03946	3.7
55.01870	9.0
55.05507	38.3
55.93525	2.3
56.96575	2.3
57.03438	4.7
57.07072	4.5
59.05005	2.7
59.51390	1.1
65.03941	4.6
67.05504	15.0
69.03432	9.0
69.07067	9.2
70.83134	3.6
71.04990	6.4
75.04477	1.3
76.02960	1.1
78.04728	2.3
79.05489	14.0
81.03423	2.3
81.07059	14.9
83.04979	61.7
83.08620	21.1
83.77361	1.1
85.02911	2.0
85.06541	4.0
85.71210	1.2
91.05477	18.8
93.03428	4.2
93.07039	22.1
95.04964	33.0
95.05548	1.7
95.08619	8.4
97.06535	9.5
97.10197	3.4
99.04469	5.2
99.08133	2.3
102.20274	1.1
103.05469	50.1
105.03391	1.7
105.07042	11.7
106.04168	11.3
107.04953	7.3
107.08591	28.2
109.02971	1.3
109.06514	15.9
109.10139	12.5
110.07214	1.9
111.04436	3.4
111.08076	7.1
115.05460	2.8
117.06994	10.6
119.08611	6.3
121.06500	19.6
121.10142	19.1
123.04430	38.8
123.08095	3.8
123.11688	5.8
125.05988	5.9
125.09621	13.0
129.07043	2.1
131.04924	80.1
131.08553	16.7
132.05261	2.1
133.10143	5.5
134.03665	2.4
135.04453	2.9
135.08096	6.7
135.11725	3.5
136.05220	1.6
137.06003	2.1
137.09619	2.1
139.03893	1.7
139.07532	3.1
145.06491	7.6
145.10098	9.9
147.04388	11.7
147.08020	1.6
147.11705	2.3
148.05222	2.7
149.05980	100.0
149.09607	17.1
149.13293	7.3
150.06386	2.3
151.07526	2.0
151.11189	18.6
153.01828	2.1
153.05493	4.8
153.09093	8.5
163.03925	3.6
163.07532	8.6
163.11183	10.9
163.14793	1.8
165.07172	1.4
165.12724	2.0
166.06337	6.2
166.07556	1.8
167.03447	2.0
167.07077	3.0
167.10582	1.4
167.14314	37.9
173.09685	1.8
173.13297	4.3
173.99635	4.2
177.05486	8.0
178.06219	7.4
181.06404	1.4
181.08672	3.2
183.00064	1.3
187.99341	1.4
188.49559	1.5
191.07014	7.7
191.10689	6.1
191.14302	13.9
194.05774	2.6
197.00003	1.4
197.50002	1.1
198.14268	1.3
209.04501	5.3
209.08054	10.4
209.09895	2.8
209.11732	8.7
209.15355	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	209.0807
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
51.02372	2.0
51.55766	1.6
53.03951	10.7
55.01866	14.0
55.05501	5.2
56.96564	2.4
57.07076	2.4
65.03940	17.2
67.05505	12.4
69.03411	4.0
69.07053	2.6
71.04992	4.1
71.42655	1.8
72.08157	2.6
75.04480	14.5
77.03914	1.6
78.04692	13.8
79.05486	11.8
81.03409	4.4
81.07047	5.9
82.04220	3.3
83.04977	6.9
83.08585	1.8
85.02911	13.7
89.03933	8.0
89.06013	2.5
91.04892	2.8
91.05478	60.0
93.03403	33.8
93.07042	24.2
95.04962	31.3
95.08590	6.2
96.05727	2.0
97.06529	16.2
99.04430	3.5
103.05457	22.8
105.03384	3.5
105.04552	3.2
105.07025	7.0
106.04169	100.0
107.04956	7.1
107.08604	5.9
108.05734	2.7
109.02863	2.0
109.06511	8.9
109.10142	4.7
111.04444	3.1
111.08154	2.4
117.03364	3.8
118.04168	2.3
119.04956	5.7
119.08612	3.5
120.05736	1.7
121.06502	88.8
121.10152	8.4
122.03655	1.9
123.04437	7.0
123.08063	2.7
124.05225	3.3
125.06001	23.3
125.09613	2.4
131.04921	4.8
133.02847	2.1
133.06551	2.0
133.10172	3.5
134.03618	18.1
135.04408	8.4
135.08043	4.0
135.11684	3.1
137.05969	13.4
138.06744	4.8
138.58046	1.9
139.03880	1.9
139.07550	6.2
145.02858	6.4
147.04379	2.7
148.05199	10.7
149.05978	100.0
149.09595	3.7
149.13258	2.8
151.03885	2.1
151.07600	5.5
151.11191	4.6
153.01836	8.0
153.05446	7.1
153.09099	19.5
159.04483	1.9
163.07559	6.3
163.11166	3.3
165.05565	2.1
166.06271	3.2
167.07034	5.2
171.02908	7.5
177.05486	39.6
181.08612	19.1
181.10028	2.8
191.06969	8.0
191.10675	2.6
191.14328	4.3
209.04436	3.8
209.08072	22.8
209.09766	1.6
209.11740	2.1
209.15321	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	208.9724
Annotation	Unknow
Peak:m/z	Relative Intensity
60.22419	10.5
69.33791	18.7
69.34205	88.8
73.33482	10.8
79.66106	11.3
87.97732	10.4
94.93038	18.8
96.92861	16.2
98.45248	12.4
150.95607	50.0
190.96193	19.9
191.94652	50.4
208.97218	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.2
55.01856	2.5
56.05019	1.8
56.96563	57.7
57.03434	9.7
59.05009	1.7
61.02932	9.4
67.05482	1.4
69.03084	2.3
69.03432	38.0
70.03747	1.5
70.06576	2.5
71.01351	1.4
71.04971	5.0
71.28440	2.8
71.95251	3.3
73.02914	12.5
79.05489	2.3
80.05038	6.5
80.19653	1.2
81.03424	14.6
82.06564	2.8
83.01305	3.3
83.04925	1.6
84.08125	1.5
84.96033	12.6
85.02432	2.2
85.02910	32.5
87.04445	6.1
91.03942	2.6
91.05463	2.4
95.06097	3.3
96.01057	1.6
96.06860	1.3
97.02289	3.0
97.02892	46.9
97.03515	2.6
97.07647	5.4
97.96809	1.4
97.99165	1.7
98.03228	1.5
98.97581	49.7
99.04434	5.9
101.02430	2.2
101.28829	1.4
102.97052	1.2
103.01785	1.5
106.06560	2.0
107.04940	2.7
108.52492	3.3
109.02885	8.8
109.06504	1.5
110.06050	5.7
110.97565	9.9
114.02084	23.8
114.02842	2.5
114.52299	2.2
115.02875	1.4
116.98623	40.1
118.06528	1.2
119.01867	1.9
121.02867	26.7
121.06532	2.7
121.07565	4.1
121.53011	1.5
122.01865	9.6
123.02625	26.6
123.05531	5.0
123.09238	2.5
123.52777	2.2
124.06358	7.1
125.07111	100.0
125.52863	2.6
126.07444	5.0
127.02840	5.0
127.03909	8.4
128.03642	1.8
128.52237	1.4
128.98604	18.7
130.03386	26.4
130.53563	4.0
131.00183	1.9
131.02303	4.4
133.07628	6.9
134.01257	1.3
134.99655	27.1
136.03384	25.5
137.06012	2.7
137.07080	12.5
139.03860	1.6
143.00122	2.6
145.03905	52.5
145.54062	5.5
146.99631	19.6
147.54141	1.9
149.01186	2.7
149.07124	8.5
150.05492	3.2
151.08665	10.2
152.00175	1.8
153.00725	2.4
153.01825	3.1
153.06570	5.1
154.04459	2.3
154.06973	1.4
156.54710	3.4
157.03886	5.3
158.99649	8.8
161.01195	11.8
161.07076	2.8
162.99115	1.5
164.55081	1.5
165.00708	3.9
167.08218	2.8
170.01221	3.5
170.99675	10.1
172.04422	1.9
173.01183	2.3
177.00687	15.6
178.04472	2.2
179.02263	2.5
179.08186	12.4
181.02863	14.4
182.00102	1.7
183.04474	5.1
185.02892	1.9
186.04254	1.5
188.02307	3.2
189.00710	17.2
191.01062	1.3
193.02875	2.7
195.01808	2.1
197.02280	1.9
197.09241	12.6
198.09496	2.3
199.03902	30.0
200.04150	2.3
201.00598	3.1
201.05579	7.4
203.03973	2.8
205.02901	4.3
207.01826	2.6
208.05492	71.1
208.55670	10.4
211.03978	7.1
213.01843	4.0
215.03401	2.0
215.10271	55.2
216.10646	4.3
217.04845	14.0
219.01758	8.1
219.06560	5.4
223.03902	96.4
224.04329	6.7
226.03903	3.0
227.03421	3.6
228.56818	3.5
229.04831	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03939	5.9
55.01850	9.8
55.05515	15.5
56.96521	2.9
57.03431	3.4
57.07059	10.5
59.05001	4.6
61.49826	3.0
65.03923	9.1
67.05508	71.3
69.03426	91.0
69.07068	34.6
70.55119	9.9
70.55485	3.5
71.04982	6.4
74.42432	3.1
79.05498	38.2
80.06243	2.8
81.03424	18.8
81.07057	37.4
83.04987	19.4
85.02894	5.9
85.06544	4.8
91.05485	46.2
93.07053	27.7
95.04972	62.0
95.08609	47.8
97.02896	3.6
97.06493	15.7
99.04460	3.6
103.05481	6.2
104.08792	2.9
105.03405	7.0
105.07027	72.9
107.04929	10.2
107.08603	30.2
109.06511	28.0
109.10148	17.6
110.07276	12.1
111.08064	12.7
117.03387	3.5
117.07032	9.3
119.04931	19.4
119.07800	5.0
119.08588	60.7
121.06487	10.8
121.10150	38.5
123.04438	69.0
123.08081	30.2
123.11700	9.1
129.06979	5.3
130.07771	4.4
131.08565	9.5
133.06474	8.1
133.10133	68.4
135.08041	14.7
135.11670	9.5
136.05217	3.6
137.05951	19.2
137.09612	17.6
143.08565	8.4
145.10147	11.2
146.03650	4.9
147.04382	15.1
147.08031	15.9
147.11696	34.1
149.02344	8.8
149.06015	3.6
149.09645	15.9
151.03862	9.7
151.07520	13.3
156.09325	15.9
159.08015	6.5
159.11748	7.0
161.05959	5.7
161.09619	7.2
161.13274	36.6
163.11198	21.0
164.04666	4.9
165.05486	3.1
165.09126	4.3
165.12714	7.8
171.11720	16.7
174.03310	3.7
174.10341	5.4
175.03937	14.1
176.08307	3.0
177.12723	3.1
179.03419	22.4
179.07040	6.1
179.14275	7.3
189.12744	39.4
192.04155	8.9
207.06540	19.3
207.13792	100.0
207.15739	5.8
208.09392	2.8
208.16835	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	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03939	6.7
53.48102	2.7
55.01855	4.3
55.05508	19.2
57.03438	6.6
57.07068	11.3
59.04992	6.1
62.46347	2.6
65.03940	9.9
67.05176	4.4
67.05508	69.0
69.03430	64.8
69.07068	37.1
69.76470	7.6
69.76882	13.5
71.04985	9.3
79.05065	3.4
79.05499	40.8
81.03409	16.0
81.07059	34.9
83.04977	21.5
83.08627	3.4
85.02895	13.4
85.06529	6.5
88.25523	2.7
91.05479	63.7
93.07048	36.3
95.04963	46.9
95.08610	63.8
97.02903	3.3
97.06513	17.2
102.16727	3.1
103.05470	7.7
105.03398	3.7
105.07034	96.5
107.04953	8.7
107.08586	43.9
109.06522	34.9
109.10143	16.3
110.07341	5.1
111.08070	17.0
115.05412	3.6
117.07021	10.5
119.04952	37.4
119.08578	87.6
121.06511	15.9
121.10141	42.0
123.04426	49.8
123.08069	43.7
123.11713	17.6
128.06299	3.8
129.07001	5.7
131.08583	16.5
132.02141	4.0
133.06496	12.1
133.10133	61.7
135.08060	11.9
135.11691	8.1
137.06012	15.3
137.09624	22.7
141.06973	4.3
143.08582	8.2
145.10091	20.8
147.04384	22.7
147.08060	27.1
147.11682	71.2
149.02304	4.2
149.09628	44.1
151.07530	12.1
151.11121	3.7
156.09312	17.2
159.08022	7.3
159.11671	8.0
160.08858	5.5
161.09618	13.1
161.13242	46.7
163.11208	22.4
164.04695	5.5
165.09178	4.4
165.12744	9.9
171.11665	20.4
174.10413	11.3
175.03909	23.7
176.08421	3.2
177.12735	10.8
179.07059	7.5
179.14296	4.2
189.09093	3.0
189.12737	45.5
192.04268	5.3
207.06566	15.7
207.13823	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.66138	1.9
53.03942	3.7
55.01854	5.1
55.05494	7.8
56.96565	2.1
57.03422	3.8
57.07058	5.7
59.04992	3.8
61.77264	1.9
65.03939	11.3
67.05508	17.6
69.03442	11.4
69.07064	11.8
69.76070	7.8
69.76475	5.2
71.04982	4.1
76.02209	2.8
77.03931	4.4
79.05487	14.7
80.06259	1.9
81.03404	4.8
81.07054	18.7
83.04976	5.1
83.08598	3.0
85.02908	14.8
89.03913	4.4
91.05479	100.0
92.05775	3.0
93.07033	20.9
95.04994	11.5
95.08600	28.4
97.06505	4.6
103.05453	7.0
105.03368	4.7
105.07033	48.0
107.04934	7.8
107.08582	23.1
109.06532	16.9
109.10157	14.1
111.04436	3.2
111.08096	3.1
115.05437	6.0
116.06171	2.8
117.07010	11.6
117.28367	2.2
118.04124	4.0
119.04942	69.3
119.08579	59.8
121.06489	8.4
121.10155	24.1
123.04414	7.7
123.08079	22.7
123.11671	11.9
128.06215	4.8
129.06992	8.6
130.07762	3.1
131.04921	4.5
131.08575	13.0
132.02005	3.9
133.02797	3.8
133.06485	9.6
133.10127	32.3
135.04385	5.6
135.08038	8.8
135.11656	3.8
136.05139	5.0
137.05940	6.7
137.09563	11.8
137.13205	2.5
141.06985	2.9
143.08559	8.7
145.06488	5.7
145.10066	9.7
146.03604	4.3
146.07245	2.8
146.10820	3.6
147.04402	56.2
147.08034	14.0
147.11693	43.9
148.02501	2.6
149.02342	11.1
149.05852	2.4
149.09627	22.0
149.13278	3.2
151.03894	9.5
151.07549	13.0
151.11162	3.7
156.09267	12.8
157.03944	5.4
159.08015	6.1
159.11752	2.6
161.05991	26.8
161.09616	20.8
161.11964	4.1
161.13252	58.1
162.03226	3.5
163.03873	3.4
163.07474	2.2
163.11174	12.8
164.04765	9.6
165.05447	8.1
165.09105	8.0
165.12723	6.2
171.11610	5.5
174.03156	2.4
174.06715	4.0
174.10376	9.6
175.03909	45.2
176.08336	3.4
179.03383	21.5
179.07079	11.5
189.09061	17.8
189.12724	44.1
189.16254	4.7
192.04126	8.0
201.26448	2.0
207.06531	27.8
207.10144	8.8
207.13783	67.5
207.17047	3.9
208.09575	2.6
208.14008	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03933	2.9
54.08672	2.9
54.96425	2.8
55.05511	7.1
57.07067	5.0
59.28824	2.5
59.96892	2.6
67.05499	29.8
69.03429	5.3
69.07069	4.8
70.94698	9.3
73.19085	2.6
79.05500	6.6
81.07037	9.6
83.04979	3.6
85.02918	7.3
85.06557	7.3
91.05455	16.3
93.07050	15.1
95.04967	7.2
95.08607	100.0
105.07033	20.9
107.08583	20.6
107.20543	3.4
109.06538	6.3
113.06027	3.1
119.04948	6.9
119.08585	33.9
121.10125	15.0
123.08073	57.4
123.11701	13.0
131.08583	6.6
133.10104	7.1
137.09595	4.5
147.04382	3.8
147.08051	6.9
147.11690	19.4
149.09627	43.1
156.09338	4.2
161.05959	5.0
161.13246	19.0
165.12802	10.4
171.11755	4.3
174.10408	5.4
189.12784	23.9
207.13829	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	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.26318	0.8
51.02378	1.0
53.03936	1.1
55.01847	1.1
55.05500	4.1
57.07056	2.2
59.04994	1.2
64.69852	0.9
65.03930	2.0
67.05509	6.9
69.03411	2.9
69.07059	2.3
71.04989	1.4
71.35062	2.1
79.05486	6.2
81.07058	20.6
83.04955	1.3
85.02905	100.0
85.06516	1.4
86.03204	1.0
91.05483	31.8
93.07043	7.1
95.04959	3.1
95.08606	10.9
100.76555	1.0
103.05447	2.5
104.78532	0.9
105.07031	14.8
107.04899	1.5
107.08596	7.9
109.06515	3.6
109.09454	1.5
109.10157	18.9
110.10532	0.9
110.51595	0.9
111.04438	1.8
115.05438	2.2
117.07008	1.6
118.04156	1.8
119.04942	19.9
119.08590	11.7
121.02898	1.4
121.06492	3.2
121.08430	2.4
121.10132	12.2
123.04448	2.1
123.08080	6.4
123.11710	63.6
125.06005	10.4
129.07019	1.8
130.07765	1.4
131.08617	5.3
132.02109	1.5
133.06459	2.2
133.10124	2.9
135.04446	1.7
135.08038	1.2
136.05183	1.1
137.05962	1.8
137.09595	1.4
139.07556	1.5
141.05423	1.6
143.04916	3.1
143.08556	2.2
145.10126	5.2
146.03737	1.2
147.04419	24.9
147.08040	6.9
147.11688	14.3
149.02353	3.9
149.09619	18.9
151.07556	5.1
156.09329	4.0
157.03970	1.5
159.07990	1.6
161.06009	8.7
161.09622	1.9
161.13257	3.5
163.11162	1.9
164.04588	1.6
165.05463	2.7
165.12746	3.6
169.08577	2.2
171.11612	3.2
174.10471	1.4
175.03896	16.4
175.06297	1.1
179.06998	2.4
189.05426	1.0
189.09132	1.2
189.12738	11.4
192.04164	8.3
207.06557	10.2
207.10341	1.3
207.13805	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03945	8.1
55.01859	2.1
55.05507	9.7
56.96562	3.7
57.07085	4.4
65.03950	3.9
67.05503	38.2
69.03416	4.6
69.07063	7.9
71.03786	2.1
71.04131	4.6
71.04992	3.9
79.05063	4.0
79.05495	51.5
81.07061	28.6
83.04984	7.2
83.08614	4.4
85.02912	3.4
85.06548	4.5
91.05479	72.3
93.07042	100.0
93.07633	4.9
95.04968	23.5
95.08605	20.4
97.06521	4.4
97.10164	3.6
105.03417	2.2
105.04517	3.1
105.07032	39.6
107.04957	3.5
107.08595	16.9
109.06535	9.2
109.10180	4.2
111.04453	3.0
115.96442	7.0
116.97238	3.2
117.07018	7.0
117.96832	2.4
119.04922	14.7
119.08585	25.6
121.06493	6.0
121.10171	7.7
123.08059	12.2
123.11696	3.6
128.06288	2.7
129.07028	13.2
131.08586	4.8
133.06480	4.3
133.10167	10.5
133.97487	6.0
135.04381	2.6
137.09642	3.3
143.08565	7.0
145.10103	12.4
147.04436	9.9
147.08072	4.7
147.11690	70.4
148.12186	2.5
149.09644	5.0
151.07518	3.1
152.27922	2.1
161.05920	2.7
161.09697	4.0
161.13304	9.6
161.83319	2.1
165.09172	3.0
165.12790	3.3
171.11711	25.5
174.26825	2.3
175.03940	9.6
177.12730	2.0
179.07069	2.6
189.12773	16.3
189.14357	2.8
189.16391	3.2
192.04251	7.2
207.06534	8.9
207.09991	4.3
207.11848	4.5
207.13783	33.5
207.17477	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	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02372	1.0
53.03952	10.0
55.01868	2.0
55.05511	7.4
60.25610	0.8
61.65776	0.7
65.03933	2.1
67.05503	25.3
69.07069	6.6
71.04992	2.6
73.06567	1.5
77.03915	1.4
79.05494	49.5
81.07058	22.5
83.04984	2.2
83.08626	2.1
85.06545	2.8
91.05482	54.8
92.05822	1.1
93.07045	100.0
94.07381	1.6
95.04967	19.7
95.08608	7.4
97.06548	1.7
103.05456	0.8
105.04515	3.1
105.07034	31.3
107.04990	0.9
107.08587	11.2
109.06533	4.2
115.05450	1.2
117.07008	5.8
119.08583	18.1
121.06506	1.1
121.10149	2.0
123.08076	1.8
127.07572	1.7
128.06245	2.1
129.07018	9.2
130.07797	0.9
131.08522	1.5
133.10144	7.1
135.08098	1.0
143.08548	4.2
145.10132	10.2
147.08055	2.8
147.11691	63.0
148.12065	1.2
156.09286	0.8
161.09563	3.9
161.13254	7.9
171.11687	21.9
189.12753	11.0
207.13817	14.3
211.53241	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02386	1.0
53.03946	7.9
55.01865	1.4
55.05297	0.8
55.05512	8.9
59.44177	0.9
64.00096	0.9
65.03932	1.5
67.05502	24.9
69.07063	7.3
70.47108	0.9
71.04990	2.4
71.32286	1.7
77.03923	1.0
79.05490	51.5
81.03399	1.6
81.07056	25.0
82.11969	0.8
83.04969	2.1
83.08624	2.8
85.06531	3.2
91.05481	62.2
93.07043	100.0
94.07384	1.2
95.04971	20.2
95.08604	7.8
97.06512	1.2
97.10143	1.3
99.90649	0.8
103.05348	1.0
105.04523	2.5
105.07026	31.9
106.63321	0.9
107.08595	10.9
109.06539	4.9
115.05495	0.8
117.06998	4.8
119.08570	21.4
121.06496	2.9
121.10131	2.2
123.08063	2.7
128.06192	2.1
129.07001	9.5
129.79012	0.7
131.08580	1.8
133.10123	7.9
143.08554	7.7
145.10120	9.4
146.84669	1.0
147.08031	1.3
147.11684	69.2
148.12027	1.7
161.09636	3.2
161.13248	9.1
165.09116	1.0
171.11679	19.7
189.12752	10.5
207.13786	13.7
221.66664	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.59511	1.0
53.03928	3.4
55.01857	2.4
55.05512	16.0
56.96584	1.0
57.03418	1.7
57.07053	1.4
59.04984	2.2
65.03939	2.4
67.05497	6.1
67.66448	0.9
68.42024	1.0
69.03426	36.4
69.07057	3.9
69.45003	9.9
71.04989	1.3
78.04710	1.1
79.01828	2.3
79.05495	10.7
79.84953	1.0
81.07049	7.2
83.04961	2.9
85.02942	1.5
85.06501	1.0
86.00770	1.0
91.05474	29.9
93.07047	14.4
95.04956	6.4
95.08614	11.9
97.06570	1.3
98.97564	1.6
99.04482	1.1
103.05461	4.7
105.07027	35.6
107.04953	4.8
107.08598	11.3
108.05724	1.9
109.06506	10.2
109.10175	2.1
111.08067	1.2
115.05461	2.1
117.07001	5.9
118.04146	2.4
119.04945	10.5
119.08576	20.9
121.06496	77.7
121.10128	8.9
121.69773	0.9
122.06815	1.2
123.04460	1.5
123.08069	21.9
123.11717	2.1
125.09601	1.1
126.96666	0.9
128.06184	1.6
130.07756	2.1
131.08562	2.0
133.06487	36.3
133.10135	7.6
135.08058	10.8
135.11696	4.6
136.05173	2.9
136.16101	0.9
137.09587	3.7
143.08527	3.1
145.10114	5.9
146.03616	2.0
146.07182	1.4
147.04402	9.1
147.08061	4.9
147.11694	25.3
149.02304	4.5
149.09641	5.8
151.07500	7.8
156.09357	1.6
159.07980	1.3
161.06003	7.8
161.09593	2.5
161.13245	5.2
163.11177	100.0
164.04684	5.3
164.11523	1.6
165.05482	1.4
165.09126	2.1
165.12761	2.9
167.16205	1.1
171.11696	2.4
174.03271	1.4
174.10393	1.3
175.03929	6.4
176.08310	4.4
179.06999	4.3
179.14337	1.5
181.25122	1.2
189.05521	1.3
189.09070	1.9
189.12741	11.5
192.04158	3.4
207.06563	13.6
207.10097	3.0
207.13791	26.1
207.17371	2.8
208.06113	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1014
Annotation	Narchinol A
Peak:m/z	Relative Intensity
53.03928	4.0
55.05497	10.3
65.03939	5.4
67.05505	35.8
68.99802	4.0
69.03420	12.1
69.07037	3.5
70.93504	7.1
71.04992	3.8
78.93884	2.5
79.05489	15.8
81.07063	19.4
83.04977	9.9
89.03896	3.1
91.04961	4.7
91.05482	52.4
93.07046	13.6
95.04951	20.5
95.08594	13.1
97.06548	5.6
99.04435	6.6
103.05395	3.9
105.07018	53.4
107.04956	7.5
107.08566	10.5
108.05727	2.8
109.06519	19.5
109.10156	83.0
111.04438	6.7
115.05454	4.7
117.07038	10.1
119.04958	27.0
119.08572	26.3
121.06500	12.1
121.10155	5.9
123.04490	3.1
123.08054	5.9
123.11691	2.8
128.06209	18.1
129.06972	5.0
133.06534	9.1
133.10115	32.6
135.08098	4.6
137.05972	10.1
137.09619	93.2
143.08566	23.3
146.07265	11.1
147.04398	31.0
147.08081	23.5
147.11591	4.1
149.02338	3.3
149.09595	5.7
161.05968	10.0
161.09608	100.0
163.11240	4.2
164.04668	5.4
165.05550	2.9
165.09102	41.9
171.07957	3.1
174.06819	6.6
175.03925	16.6
179.10616	8.6
189.07651	3.1
189.09082	17.6
192.04153	6.1
207.06520	9.5
207.10126	25.9
207.13789	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	207.1014
Annotation	Narchinol A
Peak:m/z	Relative Intensity
53.03943	3.5
55.01862	4.9
55.05508	10.1
56.12420	1.2
56.35727	1.2
56.96552	2.0
57.03424	2.1
57.07059	1.9
65.03940	4.6
67.05501	32.3
68.99773	2.8
69.03429	13.8
69.07053	3.0
71.04999	5.7
79.05483	16.4
81.03409	2.9
81.07050	17.3
83.04977	8.7
85.02887	3.8
85.06506	1.3
87.00819	2.2
89.03938	2.0
90.04686	1.3
90.65054	1.0
91.05475	60.0
93.03403	1.2
93.07036	15.6
95.04961	20.0
95.08601	13.2
97.02871	1.7
97.06510	4.3
98.21516	2.9
99.04452	6.7
103.05475	5.4
103.95529	1.4
105.03408	1.8
105.07030	53.4
107.04942	7.5
107.08578	13.1
109.02869	3.1
109.06514	19.4
109.10151	72.9
111.04430	7.0
115.05430	8.5
117.07005	7.4
118.04170	2.7
119.04932	30.3
119.08574	37.1
121.06480	10.6
121.10160	8.0
123.04421	4.0
123.08057	10.1
123.11720	1.8
124.05106	1.1
128.06215	15.8
129.07014	7.5
130.07831	1.8
131.04848	1.6
131.08540	5.6
132.02065	1.5
132.05710	1.3
133.06496	8.9
133.07385	2.0
133.10129	34.5
134.03598	1.2
135.04407	1.6
135.08101	5.9
135.11638	1.6
136.05182	1.9
136.08734	1.1
137.05994	10.0
137.09608	99.7
138.09949	1.9
143.04903	2.4
143.08546	23.5
145.06500	5.7
145.10150	5.7
146.03633	2.9
146.07262	12.3
147.04405	33.0
147.08035	34.5
147.11671	8.8
148.08839	1.7
149.02324	6.8
149.09630	14.8
151.07491	4.1
151.11162	2.1
156.09337	2.2
157.04037	1.6
159.08064	2.6
161.06006	12.6
161.09615	100.0
161.13240	9.0
162.10072	1.9
163.11166	5.0
164.04697	3.2
165.05428	3.2
165.09105	44.6
165.12729	2.9
171.08029	3.8
171.11699	2.6
174.06818	6.1
174.10333	1.9
175.03893	21.0
179.07014	5.5
179.10677	5.1
179.14223	1.5
187.32773	1.1
189.05444	1.8
189.09096	17.1
189.10873	1.3
189.11197	1.4
189.12721	12.6
192.04129	7.5
207.02809	1.2
207.06540	16.2
207.10161	30.4
207.13760	19.1
207.17389	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	207.1015
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
60.17548	0.7
64.14321	0.7
64.27618	0.7
69.87560	2.5
69.87975	1.9
77.92494	0.7
78.85164	0.6
79.05515	1.1
81.07076	0.9
83.29362	0.6
91.05481	5.9
93.07055	1.3
95.08573	0.9
99.66007	0.9
102.02219	0.7
103.05457	1.4
104.06248	1.4
105.07021	5.8
106.04169	0.8
107.04962	1.5
109.06557	1.1
115.05463	3.3
117.07009	2.8
118.04115	1.1
119.04943	2.2
119.08582	1.0
121.06506	4.2
123.08099	1.1
129.03352	2.0
131.04941	2.9
132.05736	1.8
133.06488	12.8
133.10109	1.0
135.08073	0.8
136.05208	0.9
138.06761	0.8
139.07564	0.9
145.06529	3.5
146.07257	2.0
147.04433	2.6
147.08086	5.7
147.11697	1.7
149.05957	5.0
149.09615	2.0
151.07550	6.4
160.05157	1.4
161.05983	46.3
161.13333	1.1
162.15828	0.8
163.07587	2.8
163.11226	0.8
164.08365	0.9
165.09152	0.7
175.03937	0.7
175.07549	8.6
176.08324	100.0
177.05492	5.6
177.09055	6.9
179.10669	1.6
189.12668	0.8
191.06996	0.9
192.07849	7.2
207.06718	1.1
207.10152	31.2
207.13698	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0651
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
53.03935	2.7
55.01858	4.3
55.05498	4.1
56.05001	1.5
56.96552	5.6
57.07060	2.2
65.03938	8.9
67.05501	6.6
69.03407	3.6
69.07076	2.5
70.06567	2.5
71.04983	3.0
71.13348	2.5
73.02897	1.7
77.03905	1.7
79.01030	1.3
79.05488	8.2
80.06228	1.3
81.03399	5.0
81.04537	1.3
81.07040	5.4
83.04961	3.9
83.08648	1.4
83.85076	1.3
84.08126	1.7
85.02888	3.8
87.04469	1.7
89.03905	4.9
90.04714	2.3
91.05476	100.0
93.03400	1.2
93.07043	8.0
95.01326	1.4
95.04982	7.7
95.08593	6.4
95.31390	1.1
97.02895	1.5
97.06537	2.1
98.97586	2.7
103.05472	6.2
105.03388	3.7
105.07020	15.6
107.04951	6.0
107.06067	1.4
107.08585	6.5
108.05749	3.6
109.06492	3.6
109.07629	3.5
109.10142	4.9
111.04411	1.7
111.08107	1.4
115.05449	5.0
117.06996	3.0
118.04153	7.4
119.04940	78.7
119.08585	15.9
119.09383	2.3
121.02856	5.0
121.06487	4.2
121.10125	4.7
123.04430	4.5
123.08055	8.4
123.11681	3.3
128.06213	2.3
129.06970	4.1
131.04947	1.7
131.08543	2.5
132.02046	5.9
133.02843	5.7
133.06485	8.4
133.10118	4.9
135.04382	4.6
135.08037	2.1
136.05200	4.1
137.02315	1.7
137.05962	4.3
137.09602	2.9
139.03880	1.9
143.04887	2.7
143.08577	2.8
145.06479	1.7
145.10085	3.0
146.03590	9.3
147.04405	84.6
147.08015	11.6
147.11679	6.7
148.04843	1.4
148.08635	1.7
149.02356	11.5
149.09566	4.4
150.99098	1.8
151.03922	2.2
151.07541	4.8
157.03937	4.0
161.02365	2.3
161.05978	14.6
161.09605	6.1
161.13251	3.4
163.03934	3.4
163.07487	1.7
164.04698	9.2
164.08205	1.3
165.05476	4.5
165.09085	2.8
165.12720	3.3
169.00168	1.4
171.11649	1.8
174.03148	4.8
174.10378	1.3
175.03905	56.8
176.04324	1.3
177.01854	1.5
177.05487	2.1
179.03366	3.6
179.07022	12.4
189.05502	7.1
189.09093	3.6
189.12738	4.9
192.04169	22.8
202.08705	1.2
207.03032	2.7
207.04546	2.3
207.06514	41.1
207.08412	3.1
207.09886	7.1
207.12039	2.5
207.13789	10.5
207.17523	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	207.0651
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
51.02371	1.4
55.01855	1.7
55.05497	2.6
56.96553	1.1
57.03407	1.5
59.04972	0.8
63.02343	0.9
63.33554	0.8
64.03123	0.9
65.03666	0.9
65.03941	10.6
66.04717	0.8
67.05512	4.1
67.97801	0.7
68.26093	0.8
69.03414	2.2
69.07037	0.7
71.04967	1.2
71.46193	1.0
73.08292	0.7
73.26045	0.7
76.03162	1.1
77.03911	2.7
79.05478	4.2
80.06238	0.8
81.03372	1.3
81.07041	3.0
83.04963	1.5
85.02876	1.6
89.03910	5.0
90.04690	1.8
91.05479	100.0
92.05764	1.3
93.03379	1.0
93.07031	3.9
95.04962	4.8
95.08601	9.5
96.57652	0.8
97.06484	0.9
98.97623	0.9
103.05448	2.8
105.03352	2.3
105.07029	7.8
107.04927	2.4
107.08596	3.8
108.05690	1.6
109.06477	1.8
109.15568	0.7
115.05442	2.9
117.06995	2.2
118.04156	8.5
119.04943	89.5
119.08569	7.1
120.05235	1.5
120.08050	1.2
121.02859	2.6
121.06522	3.6
121.08447	1.0
121.10104	3.1
122.03627	1.5
123.04396	2.7
123.08069	7.2
123.11687	1.0
129.03334	2.1
129.07014	0.8
131.04898	2.1
131.08540	1.3
132.02075	8.9
133.02837	1.9
133.06454	3.0
133.10098	2.7
134.03557	1.2
135.04390	4.1
135.08034	1.5
136.05168	3.3
137.05959	1.5
137.09604	2.0
143.04892	3.1
143.08508	1.1
145.02789	1.7
145.06458	1.4
145.10175	0.8
146.03601	3.5
147.04410	80.8
147.08034	3.0
147.11655	4.8
148.04756	1.0
149.02341	10.3
149.09622	6.9
150.03102	1.3
151.03902	1.2
151.07512	2.2
156.09270	0.9
157.03960	6.7
159.07999	0.9
161.06001	9.7
161.09618	1.9
161.13208	2.7
162.03130	1.2
163.03873	3.1
163.11194	1.0
164.04671	6.8
165.05469	4.5
165.12770	1.1
171.11636	1.3
174.03140	1.7
174.10417	1.2
175.03909	78.4
176.04321	2.2
176.08293	1.1
177.01790	1.9
177.05447	1.0
179.07054	9.9
189.09151	1.1
189.12675	4.1
192.04187	16.3
198.81441	0.8
207.06499	32.6
207.08418	1.7
207.10124	2.1
207.13834	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	207.0652
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
51.02378	1.0
53.03958	0.5
53.78093	0.5
55.01864	1.4
55.05506	1.6
56.96563	0.9
57.03431	1.0
57.07057	0.5
64.03146	0.8
65.03938	10.9
66.04737	0.6
67.05501	3.0
69.03432	3.1
69.07068	1.3
69.99593	2.8
71.04987	1.2
74.33220	0.5
76.03144	1.3
76.84552	0.5
77.03923	2.3
78.04688	0.5
79.05486	3.9
80.06294	0.7
81.03423	1.1
81.07050	2.6
83.05001	0.8
85.02905	1.6
85.06561	0.7
89.03911	5.3
90.04700	2.2
91.05479	100.0
92.05811	2.1
93.03397	1.1
93.07030	3.5
94.04206	0.7
95.04972	3.2
95.08613	3.0
97.02917	0.6
97.06514	0.6
98.97578	1.1
103.05473	2.6
104.02581	1.2
105.03397	1.9
105.07028	8.7
107.01308	0.6
107.04939	2.6
107.08598	3.1
108.05737	1.8
109.06523	2.3
109.10170	1.5
111.04463	0.8
111.08036	0.5
115.05452	2.9
116.98677	0.6
117.03371	1.1
117.07020	1.4
118.04153	4.9
119.04942	85.4
119.08574	7.5
120.05230	1.2
120.08099	0.6
121.02865	2.9
121.06512	1.5
121.10150	2.0
122.03670	1.2
123.04433	2.2
123.08083	3.2
123.11728	1.1
128.06247	1.1
129.03360	2.0
129.04404	0.8
129.06946	0.9
131.04910	1.4
131.08592	1.0
132.02060	7.7
133.02861	1.7
133.06480	2.4
133.10110	3.1
134.03627	1.2
135.04434	4.6
135.08070	1.2
136.05206	3.2
137.05948	1.1
137.09608	1.0
140.77048	0.5
142.07834	0.6
143.04890	2.0
143.08569	1.9
145.02824	2.5
145.10098	1.3
146.03621	4.0
147.04407	66.4
147.08011	3.7
147.11696	4.3
148.04880	0.8
148.08644	0.6
149.02342	8.7
149.09616	4.9
150.03113	1.5
151.03891	1.0
151.07561	1.4
157.03983	6.1
159.08113	0.7
161.05980	5.6
161.09619	2.7
161.13264	2.6
162.03104	1.2
163.03897	2.3
163.07538	0.8
163.11159	0.7
164.04703	4.7
165.05457	2.2
165.09126	1.2
165.12669	0.7
171.04413	0.9
171.11649	0.8
174.03081	2.6
175.03905	64.9
176.04430	1.6
177.01956	0.7
178.07767	0.9
179.03358	0.6
179.07047	8.6
179.08568	0.9
179.10605	0.6
189.05447	2.4
189.09122	1.9
189.12729	3.2
192.04169	9.0
207.06509	24.0
207.08044	1.4
207.10101	2.5
207.12027	1.0
207.13809	5.2
207.17410	0.9
229.62041	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
55.01864	0.3
65.03928	0.6
67.05495	0.4
68.99771	0.8
69.03426	0.7
70.02936	1.0
70.38802	1.2
75.75892	0.3
77.03937	0.3
79.05477	1.1
79.33913	0.3
81.07043	0.4
83.04955	0.4
85.02906	0.3
87.00836	2.2
87.44270	0.3
91.05474	8.2
93.07043	3.4
95.04947	0.8
95.08603	1.4
98.97571	0.7
103.05464	17.7
105.07022	1.3
107.08589	0.8
109.06558	0.6
115.05456	0.7
116.81619	0.3
116.98663	0.3
118.06540	18.2
119.04948	3.8
119.08555	0.6
120.08102	100.0
121.06495	1.0
121.08457	1.7
121.10121	0.3
123.08023	0.7
128.04973	2.4
132.02100	0.4
133.10210	0.4
134.99663	0.4
137.06029	0.3
139.06311	0.3
143.04953	0.6
145.06505	0.5
146.06006	14.4
147.03264	0.4
147.04414	4.9
147.11652	0.5
147.83159	0.3
149.02354	1.0
149.09610	1.0
150.02658	0.7
160.07619	0.5
161.05974	1.7
163.09831	0.3
163.11232	0.4
164.04730	0.5
164.07030	0.4
165.05437	0.9
175.03874	2.5
177.00656	0.5
179.07031	0.5
188.07057	8.0
189.07478	0.4
189.12793	0.9
191.95059	0.3
192.04131	0.5
206.08102	4.5
206.12044	0.3
206.15538	0.3
207.06502	1.6
207.10246	0.4
207.13817	0.9
224.37154	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.2
55.05499	0.2
56.96564	0.3
57.39616	0.2
65.03940	0.2
68.99791	0.6
69.42342	0.2
70.02965	1.0
71.56952	0.2
73.32746	0.2
77.03936	0.3
79.05496	0.2
81.03432	0.3
81.07076	0.2
87.00824	2.0
91.05473	3.7
93.07041	2.9
95.04972	0.4
98.97581	0.2
103.05463	16.4
104.04985	0.3
104.05741	0.3
104.91909	0.2
105.03415	0.3
105.07035	0.5
115.05443	0.3
118.06539	19.2
119.01949	0.2
119.04962	0.4
119.06805	0.3
120.08100	100.0
121.06493	0.4
121.08443	1.4
125.94370	0.2
128.04961	2.1
142.06548	0.2
143.04974	0.3
144.04433	0.8
145.06485	0.4
146.06000	13.3
147.04411	0.9
147.06314	0.3
149.02370	0.3
150.02689	0.7
160.07594	0.6
161.05980	0.7
188.07057	8.5
206.08104	3.9
206.11800	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.195
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
51.66906	1.6
53.03941	2.0
55.01870	1.7
55.05505	16.2
56.96300	1.4
56.96565	19.0
57.03433	4.6
57.07071	22.6
60.04520	1.7
65.03938	7.6
66.55057	1.2
67.05495	20.3
67.31783	1.2
69.03420	2.8
69.07066	16.3
71.10630	2.3
71.10959	1.5
79.05491	19.6
81.03423	3.2
81.07053	42.2
83.04952	2.2
83.08611	4.3
85.02920	2.4
91.05476	12.7
93.03425	2.3
93.07039	44.6
95.04973	5.5
95.08607	29.5
97.02333	1.7
97.02881	3.1
97.10175	2.8
98.03227	1.7
103.05475	1.6
105.07034	9.4
107.04969	1.6
107.08588	43.2
107.09306	2.7
108.04468	1.8
109.06512	2.6
109.10150	26.0
111.04443	3.2
115.05444	5.4
117.07040	9.3
119.02206	1.3
119.08591	5.2
121.02853	16.5
121.03775	1.8
121.03954	1.5
121.06483	8.7
121.10131	19.8
123.11699	100.0
124.12087	1.6
129.07037	2.6
130.07794	2.0
131.08572	4.0
133.10121	1.9
135.04410	1.4
135.08049	2.8
135.11688	69.3
143.08572	1.9
144.02046	1.3
144.09337	1.5
145.06471	10.3
145.10129	7.7
146.05956	1.6
149.02338	91.4
149.06009	1.9
149.13254	31.8
149.14388	2.6
150.02663	3.5
159.11716	5.6
161.05922	1.6
161.09581	2.0
162.10345	2.5
163.11237	2.9
163.14822	3.8
167.03429	4.2
173.05974	3.8
177.09055	2.2
177.12720	9.4
187.11209	3.2
187.14828	1.5
205.05002	3.5
205.08612	5.2
205.12241	11.1
205.14177	12.2
205.15910	10.6
205.17455	1.6
205.17801	1.5
205.19519	13.5
206.08220	1.4
206.11884	1.8
228.02675	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1952
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
55.05514	9.8
57.07072	6.3
58.92800	0.9
62.09443	0.9
64.15039	1.1
65.03915	1.3
67.05504	10.9
69.03454	1.3
69.07072	13.5
69.37972	5.0
69.38400	4.5
79.05489	9.8
81.06578	2.3
81.07055	39.1
83.08624	5.4
85.02855	1.2
91.05440	5.6
93.07040	32.0
95.04962	1.7
95.08607	24.3
95.78050	0.9
97.10143	1.8
98.97573	1.0
103.05499	2.0
105.07030	5.1
107.08595	34.9
109.10160	20.5
115.05441	2.4
117.07003	5.1
119.08565	3.5
121.02823	1.5
121.06513	2.8
121.10146	17.4
121.52345	1.1
123.11704	100.0
124.12035	1.2
131.04916	2.8
131.08536	2.4
133.10204	1.3
135.08102	1.1
135.11685	63.1
136.11996	1.9
137.13365	1.1
145.06483	4.8
145.10091	3.4
147.11676	1.2
149.02347	16.3
149.13264	26.9
159.08081	1.2
163.03940	1.2
163.14796	3.9
165.50125	1.2
173.06001	1.7
177.05574	1.1
177.12766	2.2
196.40973	1.0
205.08583	2.6
205.12245	3.2
205.14098	2.0
205.15884	1.7
205.19513	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	205.1951
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
51.26826	2.0
53.03930	2.4
55.05511	25.3
57.07065	19.2
59.51340	1.9
60.39561	1.8
65.03920	6.9
66.67697	2.1
67.05505	26.9
69.07067	41.9
70.65350	7.0
70.65709	2.4
71.08604	2.1
76.57890	2.4
79.05489	22.6
79.70084	2.1
81.07057	64.2
83.08627	14.6
91.05476	11.4
93.06478	3.9
93.07043	69.4
95.04948	2.9
95.08607	61.2
97.10187	12.3
98.21497	2.2
105.07014	8.2
107.08591	68.9
109.06546	2.7
109.09470	4.2
109.10160	50.0
111.11681	5.7
113.96412	3.4
119.08556	2.8
121.02892	13.4
121.03676	2.6
121.10144	100.0
123.11698	24.2
131.97435	2.4
135.11687	53.2
137.13303	4.0
149.02338	92.5
149.13258	76.2
149.96907	2.1
150.02715	3.8
163.14790	6.7
167.03477	2.3
187.33636	2.3
205.14136	5.0
205.15985	3.4
205.19525	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1222
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
51.02369	0.3
51.06744	0.2
53.03944	2.2
55.05503	0.7
56.96554	0.7
57.07069	0.7
59.29953	0.2
65.03940	0.6
67.05508	0.3
69.03417	0.6
71.16230	0.5
71.16613	0.4
77.03921	0.7
78.02686	0.2
79.05506	0.5
81.03412	0.5
81.07037	0.5
83.04998	0.4
91.05475	13.4
93.07040	53.6
94.07381	0.5
95.04967	6.1
95.08613	0.4
97.02917	0.2
103.05435	0.3
105.04523	0.8
105.07027	1.7
107.08579	0.9
108.36991	0.2
109.02848	0.3
109.06532	0.4
115.05444	0.7
117.06998	1.2
119.08569	1.5
121.02975	1.1
121.06499	100.0
121.10125	0.9
122.06824	0.9
123.84296	0.2
125.83334	0.2
127.03941	0.3
129.06990	1.4
130.07793	0.5
131.08569	1.8
133.10109	0.6
135.04436	0.3
135.08080	0.9
135.11697	0.8
143.08551	0.2
144.09323	2.2
145.06474	0.9
145.10104	1.8
147.08022	0.3
149.02350	5.9
149.05986	0.3
149.09596	0.3
149.13242	0.4
157.10161	0.5
159.08069	1.2
159.11693	5.8
161.05992	0.7
161.09648	0.6
162.10410	0.3
163.07529	0.5
163.11174	1.5
172.08806	0.3
175.07469	0.4
177.09131	0.4
177.12788	0.9
187.07570	0.3
187.11188	3.1
190.09845	0.2
190.52234	0.4
205.08650	0.7
205.12244	14.6
205.14008	0.8
205.15858	0.6
211.85672	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0971
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
57.66726	0.6
70.74651	2.5
74.02426	1.4
78.85591	0.6
91.05471	2.2
94.23656	0.7
95.61243	0.6
98.07411	0.6
115.05434	3.5
117.05756	2.2
117.07019	3.2
118.06541	50.1
119.06784	0.8
130.06532	3.5
132.08080	12.4
142.06490	4.3
143.07280	6.5
144.08092	23.4
145.06557	0.8
145.08495	0.7
146.06007	100.0
147.06296	1.8
159.09193	10.4
160.07526	1.9
170.06006	7.3
188.07065	87.4
189.07462	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34590	0.5
56.96574	1.1
57.07078	3.1
59.62872	0.7
61.21935	0.5
65.03944	2.1
67.05469	0.7
69.03411	0.8
69.07044	0.6
71.20503	1.3
74.02439	1.2
91.05468	3.2
93.07030	1.3
95.04987	0.6
103.05455	1.1
105.07019	1.3
107.08576	0.7
115.05443	3.1
116.98640	0.6
117.05770	1.5
117.07014	4.3
118.06540	48.2
121.02880	2.2
121.03951	0.6
121.06490	2.3
121.10137	0.9
130.06528	3.1
131.04961	1.2
132.08087	13.4
132.09013	1.1
135.08055	0.7
142.06505	4.5
143.07321	6.7
144.04417	1.1
144.08089	22.1
145.06490	1.6
145.10139	1.1
146.06006	100.0
147.06352	1.7
147.08035	0.8
149.01147	0.9
149.02344	17.3
149.05994	0.8
155.05994	0.7
159.08005	0.6
159.09198	8.8
160.07558	2.0
163.03912	0.6
163.11188	0.6
167.07074	0.7
170.06015	7.9
177.07864	0.7
177.12761	2.4
188.07062	76.8
189.07419	1.3
195.76135	0.5
196.53511	0.6
205.12207	1.7
205.15874	1.5
206.11813	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0971
Annotation	Tryptophan
Peak:m/z	Relative Intensity
55.05481	0.3
56.05033	1.3
56.96548	1.1
57.07076	1.2
58.75593	0.2
60.04514	0.3
65.03934	1.0
67.05485	0.3
70.20056	0.6
70.20444	0.7
72.08137	0.4
72.72758	0.2
74.02423	0.3
74.06084	0.4
79.05476	0.4
80.65151	0.3
81.03425	0.5
81.07033	0.4
82.06535	0.3
88.03979	1.4
91.05462	1.1
93.03426	0.4
93.07047	0.5
95.51536	0.2
102.05544	0.4
105.07039	3.3
111.04441	0.3
115.05449	6.5
117.05755	3.7
117.07008	0.6
118.06544	2.7
119.04939	0.6
119.07317	15.2
120.08142	0.6
121.02863	1.4
121.03779	0.2
121.06496	0.7
121.10146	0.4
130.06529	0.9
131.05051	0.3
131.08603	0.4
132.08086	28.8
133.08380	0.3
134.06010	0.4
135.11702	0.3
137.05948	0.4
137.11517	0.8
139.13087	0.4
142.06511	7.8
145.10115	0.5
146.06009	0.7
149.01151	0.5
149.02333	8.4
159.09169	100.0
160.07613	1.8
160.09567	1.7
162.05544	0.4
169.14159	0.7
170.05994	0.5
177.12740	0.7
178.05000	0.9
178.27489	0.2
188.07153	0.3
205.09749	5.8
205.11850	0.3
205.15976	0.6
206.08212	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.097
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99807	0.2
56.05007	0.4
56.96555	1.0
57.07038	0.7
60.04491	0.3
60.50365	0.2
65.03930	0.3
66.35425	0.2
69.07043	0.2
70.29823	1.0
70.38778	0.2
70.49985	0.2
74.02415	0.5
74.06062	0.2
86.37926	0.2
88.04006	1.0
91.05482	1.2
98.97579	0.3
99.54205	0.2
105.07018	3.9
115.05448	7.7
116.98589	0.2
117.05012	0.4
117.05764	3.9
117.06997	0.8
118.06528	1.9
119.04944	0.5
119.07317	15.0
121.02864	0.5
121.06416	0.3
128.98622	0.2
130.06519	1.0
132.08083	27.3
133.02858	0.5
133.08441	0.4
134.05965	0.3
134.99648	0.3
137.05978	0.5
137.31018	0.2
142.06512	8.2
143.07014	0.2
144.08081	0.2
146.06003	0.7
149.02325	3.3
149.05922	0.2
159.09164	100.0
160.07600	1.1
160.09534	2.0
170.06033	0.5
177.12527	0.3
178.05049	0.3
180.20892	0.2
188.07095	0.3
205.09734	7.3
205.11739	0.3
205.15982	0.5
206.08060	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.01877	1.8
55.05502	2.1
56.05035	100.0
56.96550	1.4
57.03434	5.0
57.05368	0.9
57.07074	1.9
58.02939	0.5
58.06590	0.4
58.99852	0.6
60.04523	6.1
60.05627	1.0
61.02927	6.2
65.03929	1.0
67.05497	0.6
68.05012	1.6
69.03425	4.2
70.02940	0.4
70.06586	1.0
71.04985	1.4
71.57732	0.7
72.04516	3.7
72.08155	4.5
73.02923	5.5
74.02035	0.8
74.02441	15.5
74.06080	30.0
75.04453	0.5
77.00889	1.3
78.95268	0.4
79.00639	0.4
79.05499	0.4
81.01922	0.4
81.03419	2.4
82.02691	0.5
82.06125	0.6
82.06580	7.9
83.04982	1.0
84.04503	4.5
84.08122	0.9
85.02898	6.8
86.02420	0.8
86.03676	0.9
87.01883	0.6
87.04459	0.9
88.02641	0.5
88.04011	0.5
89.04777	0.9
91.05460	0.9
93.03382	0.5
95.01955	0.6
95.03435	0.6
95.04957	0.6
97.02888	2.1
98.97564	0.6
99.02960	0.5
99.04458	0.4
99.09255	0.6
100.02495	0.7
100.03961	0.9
100.05208	0.7
100.07628	2.4
101.00871	2.2
102.02419	0.9
102.05541	33.2
102.09148	0.4
103.02451	0.5
104.03452	1.6
105.00370	0.6
106.02688	0.4
106.89825	0.4
107.08617	0.5
109.02912	1.7
111.02935	1.0
111.04446	0.5
112.03968	0.7
113.00864	0.7
113.02346	1.6
114.02361	0.5
115.02402	1.2
115.03143	0.6
116.98641	0.7
117.51574	0.5
118.01113	1.0
118.03618	1.9
118.04958	0.6
118.08674	2.0
119.01918	18.3
119.08598	0.4
120.02024	1.3
120.06593	2.6
121.01657	3.5
121.02850	1.6
121.06500	0.7
123.02964	0.6
123.09127	0.7
124.07603	1.0
125.02691	0.4
126.05525	1.6
127.02348	0.4
127.04105	1.5
127.05861	0.4
127.54299	0.5
128.07063	3.5
129.02908	0.7
129.03920	0.8
131.01894	6.1
131.02705	0.6
131.03519	0.4
132.01981	0.5
133.01636	1.1
133.03455	3.5
133.10252	0.4
135.03021	0.7
135.04007	0.5
136.04596	0.4
137.02951	8.1
138.03296	0.4
139.02650	1.1
139.04178	0.6
141.10228	3.4
142.03548	1.0
142.08611	1.1
143.01915	1.4
144.06544	1.7
144.99780	1.2
145.01563	0.8
145.03421	3.6
145.10030	0.5
147.03136	0.5
147.05020	0.5
149.02274	11.2
150.53130	0.5
151.04446	1.3
153.52136	0.4
154.02879	0.6
155.01909	1.7
157.03484	3.2
159.01416	0.8
159.03192	0.6
159.05031	0.9
159.07675	1.1
159.11246	1.8
159.54680	0.4
160.02080	0.5
160.04753	0.7
160.10841	0.4
161.02930	4.2
162.03029	0.4
163.00919	0.6
163.02721	3.2
163.04518	1.0
165.02348	0.5
165.53972	0.4
168.56483	0.4
168.99849	0.9
169.03432	0.5
170.04532	2.6
170.08150	1.1
171.01376	0.6
171.05031	0.5
172.99280	0.5
173.02982	2.9
174.03032	0.4
175.02635	0.8
175.04477	1.4
177.02419	0.5
177.06142	0.7
177.12746	0.7
181.03569	0.4
182.03165	0.7
184.31862	0.4
185.02988	2.6
187.00885	2.4
187.04506	0.7
187.10768	1.5
188.05566	3.5
189.02336	0.5
191.00310	0.8
191.03989	0.6
196.02231	0.4
196.04504	0.4
199.00935	0.4
201.02448	1.0
203.04027	1.5
205.01915	1.1
205.05252	0.5
205.08165	4.9
205.12387	1.2
205.15863	0.8
215.00343	1.3
215.04071	0.5
216.00546	0.5
217.05542	0.5
219.03470	1.1
221.05127	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.0
55.05511	1.1
56.05035	20.2
56.96560	4.8
57.03443	0.6
57.07077	3.8
57.98801	0.9
58.06604	0.6
58.99588	15.7
60.04532	2.2
65.03927	2.6
67.05496	0.5
68.05032	3.1
69.03432	1.3
69.05800	0.5
69.07088	0.5
70.02969	0.5
70.06584	0.5
70.47945	0.9
70.48335	1.3
71.04979	0.5
72.04532	0.5
72.08157	0.9
72.93790	0.8
73.01132	0.6
73.02905	0.9
74.02442	3.6
74.06079	4.4
75.02698	1.3
76.02229	4.9
76.04003	2.5
77.99084	0.4
78.14793	0.4
78.95274	1.3
79.05454	0.7
81.03416	1.2
84.04504	4.2
84.08147	1.7
85.01129	86.1
85.02892	1.4
85.06513	0.8
86.01473	1.0
86.02447	0.5
86.99043	4.7
87.02690	1.2
88.02218	1.7
91.05486	1.4
93.03422	0.8
93.07037	1.7
95.04952	0.4
96.04496	0.6
97.02869	0.9
97.04803	0.4
98.62456	0.4
98.97588	1.1
102.03767	100.0
102.05539	54.5
103.04145	0.8
105.07039	1.7
107.08607	1.0
110.07146	0.6
111.04427	1.0
112.03954	1.6
116.01675	16.6
116.98631	1.4
117.07036	1.0
118.97190	0.4
119.01884	0.5
119.08589	0.6
119.97862	1.2
120.08067	1.2
121.02880	4.7
121.03788	0.8
121.06496	2.0
121.10159	0.7
122.94205	0.9
127.03918	0.6
128.98663	0.7
130.03235	0.5
131.01883	0.4
131.04922	0.5
131.08560	0.7
132.12581	0.5
132.95796	0.7
133.06459	0.6
137.05988	1.0
137.11594	0.7
140.95331	0.5
144.01140	3.8
145.06516	0.5
145.10089	1.2
146.99629	0.4
149.02341	26.9
149.05931	0.6
149.09607	0.5
149.13284	0.9
150.96866	0.5
152.32724	0.5
158.96269	1.0
159.04192	0.4
159.05888	0.7
159.07945	0.5
159.09201	0.8
159.11678	1.1
162.02206	3.0
162.05493	0.5
163.02713	0.7
163.11259	0.7
163.96828	1.2
167.03477	0.6
168.15862	0.4
170.04515	0.4
177.05463	0.7
177.12759	1.9
181.97932	1.7
188.03773	7.7
188.05496	0.6
188.09177	0.5
205.04652	1.0
205.06433	11.3
205.08350	0.9
205.12389	2.1
205.14087	0.8
205.15889	1.6
221.88699	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
54.03468	1.0
55.01883	2.4
55.05500	5.3
56.05037	7.3
56.96558	5.2
57.03425	2.2
57.07075	5.4
60.04525	42.1
61.02923	2.0
65.03939	3.1
65.53665	0.9
66.76762	1.0
67.04286	1.2
67.05497	9.0
68.05029	15.0
69.03432	3.5
69.07063	3.1
69.25679	9.9
69.26084	2.4
70.06584	4.1
71.04601	1.9
71.04991	29.9
72.04526	2.8
72.08154	10.0
73.02943	1.5
73.06583	1.1
74.02465	1.4
74.06073	3.8
76.91021	0.9
79.05495	2.7
80.05009	3.0
81.03439	2.4
81.07062	6.4
82.06583	37.9
83.04987	6.2
84.04497	14.9
84.08138	4.6
85.02907	7.7
85.06551	1.6
86.09698	6.1
86.17016	0.9
87.08114	1.4
87.10049	4.3
91.05475	3.5
93.07050	1.8
94.06567	20.2
95.04970	2.6
95.06064	1.2
95.08601	2.4
96.04491	18.0
96.08138	1.8
97.02894	23.8
98.06060	6.5
99.04458	2.7
99.06847	1.7
99.08113	1.3
100.07581	1.3
102.05547	2.7
103.05457	2.5
105.07032	2.4
107.07337	3.0
108.08136	4.8
109.02893	2.3
109.06548	1.2
110.06038	6.6
110.07153	2.7
112.07690	1.3
113.09644	20.6
114.05531	20.9
115.05500	1.1
119.01882	1.2
119.07307	1.0
119.08588	2.7
120.08071	1.9
121.02863	3.8
121.06512	6.0
121.08887	1.7
122.06010	2.0
124.11214	1.8
126.05508	16.8
126.09158	7.1
127.03970	1.8
128.10760	2.8
130.08665	1.0
132.10214	2.0
133.10570	3.4
134.99699	2.0
136.11215	100.0
137.05998	1.7
137.11543	1.1
138.05515	4.7
138.12785	36.7
144.06535	2.3
144.10223	3.0
145.06441	1.7
149.01170	2.5
149.02330	29.6
150.96835	1.3
154.12227	8.4
156.06551	1.8
158.08165	2.4
158.11717	1.8
159.09250	2.9
168.06613	4.6
168.13844	62.9
172.13350	1.6
177.12799	1.8
186.07562	2.2
186.11288	2.1
186.14919	2.6
188.10747	2.9
189.11520	4.4
193.31696	1.0
204.08710	13.8
204.10420	1.8
204.13872	19.3
204.15923	4.6
205.05002	1.7
205.08403	1.4
205.12291	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
55.01852	2.7
55.05510	4.3
56.05019	2.2
56.96565	11.3
57.03435	6.1
57.07064	2.2
58.06579	1.3
60.04511	2.6
61.02927	5.8
65.03954	0.8
67.05499	8.2
68.05006	1.6
69.03432	7.5
69.07052	2.3
69.91341	3.0
69.91750	1.3
70.06581	3.4
71.01342	1.2
71.04992	25.0
72.08153	14.6
73.02912	8.5
74.02419	0.7
74.06061	2.5
79.05463	1.4
80.05022	4.1
81.01922	0.9
81.03431	3.2
81.07069	5.1
82.06575	37.8
83.04981	6.1
84.04509	6.2
84.08122	2.4
85.02901	10.7
85.06540	1.3
86.03699	1.2
86.06094	0.7
87.04456	0.9
87.08095	3.6
88.02661	0.7
88.03984	0.9
91.03899	0.9
91.05453	1.8
93.07040	1.2
94.06560	19.5
95.08596	3.0
95.34840	0.7
96.02391	0.9
96.04490	1.3
96.08157	1.6
97.02890	9.8
97.06522	1.2
98.06052	3.5
98.21414	0.7
98.97575	7.4
99.04446	1.7
99.06832	1.1
99.08120	1.1
100.02617	1.0
100.07602	1.9
100.97328	0.7
100.99181	0.6
101.00874	2.2
102.02402	2.0
102.05544	0.9
103.02400	0.9
103.03900	0.8
107.07342	3.4
108.02405	0.9
108.08131	5.8
109.02922	2.9
109.06541	1.5
109.10131	1.6
110.06008	0.9
111.02907	2.0
112.07597	1.8
113.00814	0.9
113.02374	0.6
113.09640	18.8
113.10425	1.2
114.05492	1.0
115.02411	1.4
115.07555	0.9
116.07104	1.6
116.98629	5.7
118.03536	1.3
119.01916	12.6
119.08592	2.4
120.01994	2.6
120.03436	1.2
121.01707	3.1
121.03442	0.9
121.06499	0.8
121.08894	1.8
122.06046	1.0
122.09667	1.5
123.01215	0.7
123.02930	1.1
124.03736	0.8
124.07578	1.7
124.11216	1.8
126.05497	2.1
126.09143	8.3
127.03922	2.5
127.07612	1.2
128.02336	1.5
128.07077	1.5
128.10724	2.2
128.98631	0.8
129.02931	0.9
129.03954	0.8
130.08641	4.1
131.00192	1.4
131.01903	9.2
132.02032	0.7
132.03439	2.0
133.01683	1.4
133.03452	2.2
134.99654	2.7
136.11209	100.0
137.02948	2.2
137.11555	2.7
138.03352	1.5
138.05464	1.5
138.12772	32.9
140.07063	3.1
141.10208	1.5
142.08606	0.9
143.01866	3.3
144.02034	1.3
144.06537	3.9
144.10190	3.4
144.98140	0.7
145.01689	0.8
145.03404	4.4
146.03708	0.8
146.08093	1.1
146.99663	1.5
147.01447	0.8
147.04068	0.8
149.01195	1.1
149.02977	1.4
150.00818	0.7
151.04491	1.1
151.11214	0.9
152.07104	0.9
153.03961	1.1
154.03513	3.6
154.12254	7.3
155.01895	2.4
157.03471	1.7
158.08119	24.8
158.11729	1.0
158.99641	1.1
159.08452	0.9
161.01439	1.0
161.02908	8.9
162.03192	3.1
162.04399	0.9
163.02766	2.4
163.04570	1.1
165.00775	1.0
168.13835	66.4
169.14136	0.9
172.04555	2.3
173.01495	1.3
173.02956	7.2
174.03108	1.4
175.02698	1.3
175.04507	1.4
177.00708	1.2
185.02979	4.5
186.11298	2.2
186.14870	3.5
187.04631	0.7
191.03963	1.2
199.01167	0.8
199.04500	1.6
203.04088	2.5
204.08661	19.3
204.12282	2.1
204.13965	1.2
204.15962	6.8
215.03995	0.9
221.05066	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.5
56.05029	0.9
56.96561	0.9
57.07066	2.5
59.04984	0.6
60.04501	1.1
65.03931	1.1
67.04239	1.3
67.05503	11.1
68.05023	0.8
68.26624	0.6
69.07057	2.3
69.68640	1.5
69.69059	3.5
70.06582	2.4
71.04992	32.6
72.08151	15.7
73.06516	0.6
74.06087	1.8
79.05476	2.0
80.05016	2.9
81.07056	3.2
82.04208	1.4
82.06579	40.5
83.04971	7.1
83.06918	0.7
84.04512	0.9
85.06521	0.8
85.14235	0.5
87.08106	3.1
91.05464	1.8
93.07056	1.6
94.06567	22.7
95.08588	3.0
96.08136	1.7
97.06528	1.2
97.88016	0.5
98.06049	2.6
99.06853	0.8
106.06567	1.1
107.07309	5.9
108.08121	6.9
109.10142	1.1
110.06036	0.9
112.07619	1.6
113.09635	13.9
115.07571	1.0
116.16486	0.6
119.08565	1.8
121.08890	3.0
122.09653	1.2
124.07677	0.8
124.11245	3.7
126.12804	1.5
128.10736	1.8
131.41148	0.7
136.11212	100.0
137.11589	1.6
138.12772	32.7
148.18327	0.6
151.11160	0.9
154.12282	4.9
168.13838	47.6
186.14914	2.5
204.15941	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	204.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.4
55.01860	2.5
55.05511	8.4
56.05028	3.6
56.96570	5.5
57.03427	2.1
57.07059	3.5
58.06586	1.3
60.04526	52.9
61.02913	2.6
62.82121	1.0
65.03939	4.2
67.05501	10.8
68.05033	12.3
69.03427	5.5
69.07056	1.5
69.82658	0.9
70.06582	3.8
71.04993	19.1
71.57558	1.2
71.57964	1.5
72.04514	2.4
72.08155	8.9
73.02918	2.7
74.06055	2.3
79.05499	7.3
80.05019	2.8
81.03409	2.4
81.07057	48.3
81.51681	0.9
82.06116	1.8
82.06580	27.3
82.07343	1.3
82.62787	0.9
83.01357	1.1
83.04997	5.8
83.08614	4.3
84.04507	39.0
84.08147	10.1
85.02906	8.7
85.06546	10.9
86.06061	1.5
87.08100	1.9
91.05495	5.8
93.03403	0.9
93.07019	3.6
94.06561	13.1
95.04984	2.1
95.06098	1.1
95.08592	2.3
96.04489	12.3
96.08074	1.5
97.02892	19.6
98.06059	7.0
98.09688	6.3
98.97598	1.8
99.04439	1.8
99.06842	1.9
99.70020	1.0
100.03978	2.1
101.18190	1.0
102.05530	11.9
103.05474	2.4
105.07026	2.4
106.06483	1.3
107.04942	1.4
107.07329	2.4
108.08108	4.2
109.02886	1.8
109.06519	15.0
110.06057	4.8
111.04447	1.0
113.09648	15.8
114.05528	15.1
115.03896	1.3
119.08585	3.9
120.08121	1.6
121.02862	3.7
121.06509	3.4
121.08895	1.0
122.06042	1.5
124.08685	1.2
124.11208	2.7
126.05516	14.8
126.09154	100.0
127.03912	1.7
127.07550	15.7
128.10693	2.3
131.08499	1.2
136.11215	63.9
138.05469	4.4
138.12779	27.0
138.90703	1.2
144.06564	2.7
144.10188	34.7
146.06036	1.9
146.99670	1.2
147.04436	2.2
147.06781	3.0
147.07939	1.0
148.07607	4.7
148.08630	1.5
148.11224	1.8
149.02348	17.8
149.05975	0.9
150.05435	1.2
154.12238	5.4
156.06610	1.3
158.08092	3.4
158.15332	1.2
162.11314	1.3
163.09926	1.1
168.06520	3.6
168.10304	5.1
168.13838	39.9
172.13364	1.5
173.53691	1.0
174.09143	1.4
176.06960	1.3
176.10693	12.5
177.05440	1.5
177.12665	1.1
186.05861	1.5
186.07594	2.3
186.11261	34.6
186.14891	2.3
188.10666	3.2
189.11496	4.2
204.06740	1.4
204.08638	11.1
204.10287	3.9
204.12141	2.0
204.13898	20.1
204.15903	4.2
205.04993	1.2
205.12285	1.0
205.16000	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46334	0.5
53.03938	1.0
55.01872	2.7
55.05510	7.7
56.05030	2.6
56.96565	2.5
57.03420	1.6
57.07060	2.3
57.19592	0.5
58.06603	1.0
60.04523	41.2
61.02919	1.1
65.03940	1.3
67.04262	0.6
67.05172	0.8
67.05500	11.4
68.05027	3.6
69.03417	1.4
69.07060	3.3
70.06576	2.3
71.04991	20.8
71.49638	1.1
72.04490	1.4
72.08146	5.2
73.02917	0.9
73.06511	0.5
74.06084	1.0
79.05499	6.2
80.05017	1.5
81.03421	1.4
81.07053	46.4
82.06577	25.6
83.04990	4.3
83.06093	0.5
83.08610	4.1
84.04500	33.3
84.08137	7.9
85.02900	4.0
85.06544	9.4
86.06067	1.0
87.04485	0.7
87.08092	1.5
91.05495	3.0
93.07037	1.7
94.06566	13.5
95.04942	0.6
95.08595	1.3
96.04485	5.8
96.08112	1.4
97.02892	7.3
97.06535	1.1
98.06058	3.6
98.09684	6.0
98.97556	1.3
99.06815	1.2
99.08096	1.8
100.04008	1.3
100.07610	0.6
102.05550	8.7
103.05473	0.6
105.07042	0.8
106.06536	0.7
107.04931	0.6
107.07355	2.6
108.08101	3.2
109.02847	0.6
109.06512	16.6
109.10150	0.8
110.06033	2.2
112.07609	1.1
113.09644	14.2
114.05520	4.8
115.03872	0.6
115.05447	0.6
116.98637	1.4
117.06998	0.8
119.01906	0.6
119.08572	2.6
120.04424	0.6
121.02850	1.4
121.06477	1.6
121.08882	1.7
122.09635	1.0
123.08097	1.0
124.11215	1.6
126.05527	6.8
126.09149	100.0
127.07546	17.9
127.09523	1.6
128.10706	2.6
130.06485	0.8
131.04924	0.8
133.06415	0.6
134.99628	0.8
136.11209	63.3
138.05470	1.8
138.11678	0.9
138.12773	24.9
144.06567	2.0
144.10188	35.6
145.06406	0.7
146.99611	0.6
147.04381	0.9
147.06812	1.2
148.07552	1.5
149.02344	8.2
154.12285	4.9
156.06598	0.8
158.06042	0.8
158.08067	1.5
158.15399	0.9
160.96622	0.7
161.05972	0.6
168.06558	1.6
168.10190	6.0
168.13834	43.0
172.13391	0.9
176.07013	0.5
176.10695	3.2
186.05698	0.9
186.11244	34.4
188.10703	1.5
189.11459	2.1
204.06746	1.0
204.08667	5.0
204.09961	0.8
204.10367	1.2
204.12332	0.9
204.13866	9.7
204.15938	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
55.01873	8.3
55.05511	36.6
56.05036	2.0
56.96561	2.0
57.07083	6.8
57.75900	1.2
57.98800	2.6
58.99586	83.1
60.04525	9.2
61.01151	11.3
65.03932	1.6
68.05021	4.5
69.03434	1.0
69.07074	4.7
70.06598	2.5
70.70644	1.9
73.01138	19.4
74.00664	6.3
76.02225	20.0
78.10857	1.0
79.05489	13.1
81.07056	65.5
82.06564	1.7
83.08617	14.8
84.04508	3.4
85.01127	5.1
85.02905	2.4
86.99052	41.4
86.99580	2.2
87.02713	3.1
88.02231	7.2
88.04007	5.4
91.05494	2.0
93.07038	3.8
95.08614	2.0
96.04508	4.6
97.02885	5.9
98.09710	1.2
99.02681	4.5
100.11255	100.0
101.11597	1.6
103.05455	2.6
105.00089	18.7
105.07056	1.3
107.08624	2.2
109.02875	1.1
110.89196	1.1
112.11252	2.1
114.05540	4.3
115.05804	21.1
116.05296	9.4
117.07043	5.6
120.01197	1.6
120.08078	1.4
121.06502	7.7
122.06960	1.2
124.11250	1.1
124.21271	1.2
126.05505	5.3
130.06541	3.0
131.04974	2.9
131.08693	1.0
137.05988	12.6
141.07347	7.4
142.58401	1.1
144.08813	1.1
145.06516	5.6
145.10143	1.7
149.02350	6.5
158.06027	5.6
158.09984	30.7
159.11627	1.4
163.07559	1.7
187.07878	62.5
188.10660	2.6
189.11461	3.9
204.08667	3.4
204.10551	24.2
204.13808	20.4
204.19693	1.5
205.08617	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	204.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72648	0.5
55.01861	2.3
55.05301	0.6
55.05513	6.2
56.05032	7.6
56.96570	14.4
57.03432	2.3
57.07067	4.6
58.06597	0.8
60.04525	15.6
61.02928	3.3
62.25792	0.6
65.03942	2.9
67.04242	0.8
67.05177	0.7
67.05506	10.7
68.05029	9.6
69.03432	5.3
69.07066	3.7
70.06588	4.9
70.31111	1.6
71.01353	1.0
71.04993	27.0
72.04504	2.4
72.08156	17.2
73.02907	2.2
73.06555	2.0
74.02445	0.9
74.06088	4.8
74.97577	0.8
78.95277	1.3
79.05492	3.1
80.05004	3.1
81.03418	3.6
81.07062	3.2
82.06580	40.5
83.01324	0.7
83.04981	8.5
83.06077	1.0
84.04504	12.2
84.08149	9.9
84.95998	1.0
85.02908	7.5
85.06525	1.1
86.06047	1.7
86.09713	11.0
87.08089	2.7
87.10034	8.9
88.03969	1.9
88.99141	0.9
90.94786	0.7
91.05482	2.1
93.07027	1.6
94.06571	20.5
95.04972	4.8
95.07339	0.8
95.08601	3.2
96.04499	13.4
96.08121	2.0
96.65945	0.6
97.02892	18.1
97.06499	1.4
98.06063	6.4
98.09708	0.8
98.97556	3.0
99.04440	1.4
99.06830	1.6
99.08099	1.1
100.03971	1.3
100.07590	1.0
102.05525	3.5
103.05479	0.9
105.07043	1.2
106.06555	1.4
107.07349	4.2
107.08617	0.8
108.08129	5.3
109.02876	0.9
109.05279	1.0
109.06511	0.8
109.10133	0.8
110.06035	5.1
110.07147	3.3
111.04452	4.1
111.06831	0.9
112.07610	3.7
112.11224	1.2
113.09647	18.7
114.05532	14.6
115.03938	1.3
115.07581	1.3
116.98627	2.4
119.01880	1.9
119.04962	0.8
119.08585	2.2
119.97885	2.2
120.08070	0.8
121.01696	0.9
121.02861	2.7
121.06505	2.1
121.08889	1.8
122.06041	3.7
122.06981	0.6
122.09690	1.5
122.94222	0.9
123.04423	2.5
123.08089	1.2
124.03944	0.7
124.05147	0.9
124.07573	1.6
124.11217	2.5
126.05515	13.4
126.06383	1.1
126.09190	0.8
126.12882	1.4
127.03912	1.9
128.10716	2.8
128.98567	1.3
129.10228	1.6
130.05055	0.8
130.06549	1.4
130.08643	1.6
131.06905	1.4
132.95729	0.8
134.06009	1.8
134.99655	2.1
136.11217	100.0
137.02989	0.9
138.03149	0.6
138.05505	4.0
138.12781	35.4
139.03912	2.3
140.04742	0.9
140.06992	3.1
140.10716	0.9
141.05513	1.0
143.01897	1.1
144.06583	3.1
144.98123	0.9
146.99635	1.5
147.04376	0.8
147.05777	1.4
149.02327	8.9
150.05556	1.5
150.96924	0.7
151.03931	1.4
151.11195	1.0
153.02147	0.8
153.05521	1.3
154.12276	7.0
155.04674	1.2
156.06557	1.0
157.04893	0.8
158.06029	1.5
158.08081	5.9
158.11774	5.4
158.96242	1.5
161.01230	0.8
161.02975	1.5
162.05490	1.7
162.32108	0.7
162.99142	1.7
163.96873	1.4
165.00673	0.9
168.06522	3.4
168.13844	65.0
169.04976	1.2
173.02951	1.4
177.00777	1.3
181.00175	1.2
181.97884	1.7
186.06155	0.8
186.07613	4.7
186.14890	3.7
188.10670	0.9
189.11536	1.8
204.06714	1.7
204.08656	17.4
204.10696	0.8
204.13841	8.5
204.15970	7.7
205.05005	0.9
205.08423	0.6
223.01253	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
55.01860	1.0
55.02123	0.4
55.05506	4.9
56.05023	1.4
56.96328	0.5
56.96568	4.6
57.03432	1.2
57.07083	2.5
59.04996	0.9
60.04523	2.1
61.02922	1.0
65.03931	1.0
67.04257	1.0
67.05504	10.8
67.05876	0.6
68.05025	1.3
69.03424	1.5
69.07058	2.6
70.06590	3.0
70.76764	1.2
71.04992	28.2
72.08155	15.4
73.02908	1.2
73.06538	0.6
74.06076	2.1
79.05504	2.0
80.05016	2.7
81.03412	1.2
81.07059	3.1
82.04184	0.7
82.06578	38.1
83.04979	5.8
84.04484	2.1
84.08144	1.5
84.80893	0.3
85.02901	2.1
85.06538	0.9
87.08099	3.2
91.05471	1.7
93.05737	0.5
93.07037	1.3
94.06565	20.3
95.04964	2.0
95.07336	0.7
95.08611	3.0
96.04492	1.0
96.08133	1.6
97.02891	4.0
97.06503	1.1
97.96777	0.6
98.06063	2.1
98.06858	0.3
98.97575	3.6
99.04477	0.9
99.06823	1.2
99.08095	1.2
100.07608	0.8
103.05432	0.4
105.07076	0.4
106.06528	1.0
107.04973	1.7
107.07339	4.8
107.08567	0.4
108.08121	6.1
109.02919	0.5
109.05214	0.4
109.10166	1.6
110.06021	1.1
110.09656	0.7
111.04427	1.1
111.06764	0.5
112.07616	2.2
112.11247	1.0
113.09636	16.3
114.05534	0.8
115.07566	0.8
116.98598	2.5
119.00262	0.4
119.01897	0.4
119.08553	2.0
119.33781	0.4
120.08104	0.7
121.06474	1.8
121.08863	2.4
122.06027	1.3
122.09668	1.9
123.04424	1.3
123.08049	1.0
124.07572	0.8
124.11217	3.3
126.05502	1.2
126.09144	0.6
126.12792	1.5
127.11195	0.5
128.10698	2.9
128.98558	0.8
130.06534	1.0
130.08643	0.5
131.00134	0.5
131.99670	0.4
132.04404	0.7
134.06020	0.5
134.99680	1.1
136.11212	100.0
138.12776	36.4
139.03880	0.9
140.07074	0.7
146.99672	0.8
147.04428	0.6
149.01300	0.5
149.02353	1.2
149.05962	1.3
151.11166	0.7
152.07074	0.4
153.05376	0.5
153.07889	0.5
154.12256	7.5
158.06006	0.9
158.08073	0.4
158.11761	0.8
158.99649	1.3
165.00771	0.4
165.72476	0.4
168.06595	0.6
168.13840	56.5
169.04980	0.5
173.10890	0.4
177.00670	1.1
185.03908	0.7
186.07552	0.7
186.14862	2.4
189.00674	0.6
193.01768	0.4
204.08743	1.9
204.13826	1.2
204.15900	5.8
211.02737	1.0
223.02843	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0868
Annotation	N2-Acetyl-L-aminoadipate
Peak:m/z	Relative Intensity
53.03942	1.5
55.01864	3.4
55.05505	5.2
56.05024	5.9
56.96566	18.1
57.03436	13.1
58.03760	0.9
58.06596	4.2
59.05002	1.6
60.04526	9.7
60.07923	0.8
60.08166	9.3
61.02650	1.1
61.02929	10.6
65.03937	1.1
67.04227	0.7
67.05499	3.9
68.05027	7.4
69.03428	15.4
69.07058	1.9
70.02943	1.2
70.06593	9.2
71.01351	1.8
71.03222	1.9
71.04998	10.6
71.45655	0.7
72.04505	2.9
72.08160	6.1
73.02916	11.0
73.06529	1.6
74.02441	3.1
74.06078	6.0
74.97634	0.9
75.04484	1.6
79.05489	2.6
80.05018	10.7
81.03421	7.7
81.07069	3.7
82.06581	22.4
83.01350	1.4
83.04963	3.6
83.06910	0.8
84.04504	27.6
84.08148	11.5
84.96046	1.3
85.02905	100.0
86.03680	1.4
86.06041	1.3
87.04453	1.1
88.02692	1.1
88.03974	2.5
91.05495	1.0
92.01276	0.7
93.07046	1.0
94.06571	9.0
95.01322	1.1
95.01933	1.0
95.04959	2.6
95.08598	0.9
96.02424	0.9
96.04507	11.7
96.08112	2.4
97.02286	1.2
97.02882	17.1
97.06477	1.0
98.06053	11.9
98.97581	4.2
99.04438	2.9
100.03984	1.4
100.07619	9.0
100.11240	1.7
101.00896	1.5
101.07963	2.2
102.02396	2.4
102.05528	2.5
103.02428	1.1
103.03187	1.0
103.03932	1.5
105.06992	0.9
108.08114	1.6
109.02820	3.9
109.06466	1.7
110.01250	1.4
110.06020	2.3
111.02921	3.1
111.04454	1.0
112.03926	1.3
112.07573	3.0
112.11247	2.1
113.02368	3.0
113.03441	0.9
113.09624	3.2
114.05536	11.0
114.09182	1.9
114.53915	0.9
115.02419	2.0
115.03954	0.9
116.07076	4.0
116.98628	6.2
117.02057	1.0
118.01160	1.5
119.01119	1.4
119.01913	13.8
119.04918	1.1
120.02023	1.5
120.03425	1.2
121.01627	1.9
121.03494	1.3
121.06484	2.1
122.06024	5.2
122.09657	2.4
122.53744	0.9
123.02911	1.7
124.03703	0.9
124.07555	1.4
124.11242	1.2
125.05923	1.0
126.02570	1.1
126.05511	19.8
126.09147	3.1
127.03964	3.2
127.07460	1.2
128.02301	1.8
128.07083	7.0
128.10670	1.1
128.98570	2.7
129.02936	0.9
130.04982	1.3
130.08640	15.8
131.00195	1.5
131.01897	7.1
131.06876	1.1
132.03487	1.4
133.01630	1.3
133.03438	4.7
134.03584	0.9
134.99651	6.2
135.03047	2.2
136.11214	19.9
137.02939	4.4
138.03345	1.8
138.05490	12.1
138.12767	8.4
140.07051	12.3
140.10703	1.9
141.10225	6.8
142.01091	0.9
142.08623	3.5
143.01910	3.2
144.01855	0.9
144.03493	1.6
144.06555	24.8
144.10175	3.8
145.03462	3.1
145.05005	6.0
146.08090	5.4
146.99643	3.2
147.01358	1.1
147.04327	1.6
149.01198	3.0
149.02356	10.3
149.58199	1.1
150.00761	1.3
150.03603	0.9
150.05530	1.1
150.96872	0.9
153.00743	0.9
154.12270	2.9
155.01888	2.9
156.06564	1.7
157.03471	4.5
158.08124	82.6
158.11748	7.3
158.12935	1.7
158.99634	1.3
159.05034	1.1
159.08383	1.0
160.02126	1.1
161.01262	1.8
161.02966	8.5
162.03067	3.1
163.02737	2.5
163.04492	1.9
165.00635	2.1
168.06575	4.0
168.10196	1.4
168.13823	12.6
170.99677	1.0
173.02986	7.8
174.04564	0.9
175.04501	2.8
176.07306	1.2
177.00722	1.3
177.02522	0.9
181.03638	1.4
185.02875	4.2
186.07573	4.7
186.11253	4.9
186.14886	3.2
186.99214	0.9
187.00864	1.7
187.04475	1.5
187.10735	2.3
188.10715	1.4
189.11470	1.4
193.00221	1.2
199.04570	0.9
203.04007	2.5
204.08675	69.3
204.12306	23.8
204.13847	10.6
205.05334	0.8
205.08553	1.6
205.11958	0.9
221.05095	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
53.03941	2.2
55.05312	0.9
55.05506	9.7
57.07066	1.8
58.08012	1.0
60.04505	2.3
65.03936	1.2
67.05501	27.6
68.05025	1.4
69.07067	13.0
71.33023	2.1
77.89489	1.0
79.05487	11.5
81.06586	1.9
81.07055	35.7
82.02986	1.1
83.08603	3.6
84.04504	1.8
91.05481	19.2
93.06471	2.0
93.07040	31.2
95.04961	2.3
95.08605	87.1
96.04539	1.5
97.02904	2.6
97.10188	2.0
103.05436	1.1
105.07028	58.4
107.08595	48.2
109.10155	49.8
110.10487	1.6
117.06990	1.5
118.03513	1.2
119.08578	41.7
121.10148	22.7
123.11708	9.7
126.05464	2.5
131.08507	2.0
133.10126	30.4
135.11690	3.8
145.10078	3.0
145.79489	1.2
147.11682	56.3
159.11696	1.3
161.13239	19.1
162.06644	1.0
171.01343	1.4
175.14819	10.4
188.10645	1.4
189.11484	3.8
203.10623	2.7
203.14610	2.7
203.17944	100.0
204.08665	1.5
204.13829	13.5
204.18321	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	203.1794
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05516	9.5
56.63029	1.6
57.03436	1.2
57.07056	5.0
60.04522	1.9
60.43941	1.3
60.61721	1.3
62.73289	1.4
67.05184	1.8
67.05502	18.0
68.05035	2.0
69.07066	15.0
71.08636	1.4
71.32695	2.5
71.33056	1.2
79.05495	11.2
81.07056	31.5
83.08608	4.8
84.04494	3.7
87.08047	1.2
91.05480	19.6
91.78153	1.3
93.07040	17.9
95.04935	1.7
95.08604	45.0
96.04516	1.9
96.07653	1.2
97.02879	4.0
97.10155	2.0
103.05511	1.8
105.07029	100.0
107.08582	19.3
109.10152	30.3
114.05539	3.2
117.07022	3.5
118.03517	1.6
119.08584	49.0
121.10136	19.6
123.11732	7.1
126.05516	3.7
131.08546	3.6
133.10129	39.3
135.11653	4.8
145.10146	4.8
146.57320	1.3
147.11682	65.6
159.11671	3.0
160.12454	4.2
161.09590	2.1
161.13254	25.1
175.07504	1.3
175.14865	7.2
185.09567	1.9
185.25015	1.5
188.10707	2.3
189.11450	3.8
203.10648	2.6
203.14319	4.8
203.17960	53.4
204.08626	2.1
204.13837	20.2
204.18471	1.8
210.19070	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1793
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03929	1.7
53.47107	1.0
54.30196	1.0
55.05511	11.2
56.96568	6.4
57.07061	3.5
60.04505	3.8
60.97940	1.0
64.00841	1.0
67.05508	22.2
68.05013	2.4
68.40630	1.1
69.07066	15.7
70.65435	4.3
79.05488	9.1
81.07058	22.5
83.08637	6.6
84.04501	3.2
84.96021	1.1
85.02868	1.4
91.05476	15.3
93.07043	15.2
95.04971	1.9
95.08607	72.0
96.04470	2.5
97.02915	5.4
97.10164	2.9
100.02474	1.7
103.05448	1.9
105.07026	56.1
107.08594	24.9
109.10158	35.7
114.05526	3.7
117.07015	3.0
118.03502	1.8
119.08578	67.1
121.06527	1.1
121.10150	18.6
123.11684	6.2
126.05506	4.0
129.06989	1.9
131.08551	6.7
133.10133	62.6
135.11674	5.5
138.05473	1.5
142.07797	1.6
145.10104	11.9
147.11682	61.9
148.11986	1.1
157.10109	2.4
159.11681	7.0
160.12456	3.6
161.13255	28.9
173.13281	1.9
174.13989	1.7
175.14822	16.6
175.18916	2.1
185.09555	1.4
185.13255	1.4
185.17270	1.4
188.10675	1.9
188.15512	1.4
189.11475	1.6
197.98997	1.5
203.10663	2.4
203.14262	6.4
203.17957	100.0
204.08626	2.9
204.13837	15.5
204.18269	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
50.42525	1.9
54.86865	1.6
55.05505	11.7
57.07065	4.7
60.12634	1.8
63.49747	1.8
67.05507	18.2
68.05016	3.1
69.07067	15.4
70.20511	6.9
79.05485	10.8
81.07048	35.9
83.08602	3.1
84.04481	8.3
85.02905	2.3
91.05477	24.6
93.07047	18.0
95.08600	49.6
96.04476	5.6
97.02885	6.7
97.78580	1.8
105.07023	100.0
107.08593	25.4
109.09473	2.7
109.10158	37.5
114.05539	4.3
117.07014	4.6
119.08576	55.0
121.10140	19.3
123.11684	7.9
126.05466	7.7
129.06953	2.8
131.08543	7.1
133.10126	46.0
135.11665	4.7
143.08571	3.1
145.10083	6.8
147.11681	76.3
157.10185	3.6
159.11650	4.2
160.12462	4.7
161.09636	3.5
161.13246	26.2
175.14870	10.8
185.13234	2.1
188.10619	2.3
189.11501	4.5
203.03470	2.1
203.10690	5.2
203.14316	7.5
203.17935	75.1
204.08643	4.8
204.13832	27.2
211.88907	2.1
220.70421	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1638
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
52.92518	1.2
53.03946	1.6
53.42893	1.3
53.43717	1.3
55.05495	4.4
56.96556	4.5
57.07069	3.5
59.93086	1.8
64.78914	1.6
67.05501	11.1
69.07052	6.5
69.27081	15.6
71.08628	1.7
77.57477	1.5
79.05491	13.1
81.06642	1.9
81.07059	22.2
90.49428	1.4
91.05472	17.4
93.07042	21.1
95.04951	2.3
95.08602	19.7
103.05423	1.6
105.07020	34.0
107.08596	28.4
108.04528	1.3
109.06488	1.5
109.10147	5.8
112.10873	1.2
114.52895	1.5
115.05477	1.6
117.07014	17.6
118.96740	11.7
119.08556	15.9
121.10131	9.1
124.07541	1.7
129.07040	6.9
130.07756	6.4
131.08566	42.8
133.10120	14.2
143.08556	6.7
144.09338	6.0
145.10114	81.4
146.10788	2.6
147.11777	1.8
150.95767	2.0
154.96469	2.4
157.10127	6.4
158.10947	2.7
159.11679	55.9
160.12198	1.7
171.11678	2.8
172.12398	2.9
173.13266	15.9
177.98015	4.4
186.14024	2.5
197.01276	2.0
201.09109	3.2
201.16371	100.0
202.08704	1.4
215.02228	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	202.056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41585	7.2
56.96548	17.8
57.45193	5.4
61.14398	6.4
70.43909	19.9
73.77682	5.1
98.97583	15.1
100.02458	13.9
101.00916	9.6
116.98605	15.5
118.03502	15.2
119.01122	11.4
119.01907	100.0
120.02024	15.6
131.17293	6.9
134.99666	19.3
137.02921	40.9
138.03029	8.8
142.03568	27.2
143.03581	8.9
156.97473	11.3
160.04538	24.2
161.02986	9.4
164.60954	5.7
174.98575	14.1
178.01047	18.2
179.00679	20.0
179.03978	16.9
179.05447	6.4
197.00569	10.1
206.45206	5.9
215.01851	9.2
220.02090	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1636
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
51.77252	1.0
52.17156	1.0
55.05495	1.8
57.07081	5.0
58.07380	0.9
59.93093	1.5
64.44917	0.8
67.05499	2.9
69.07065	2.3
70.98082	1.4
70.98418	1.4
79.05492	3.3
81.03397	0.9
81.07049	5.4
91.05469	7.1
93.07027	5.4
95.08603	6.1
105.07037	12.6
107.08609	6.8
109.10159	1.5
115.05461	3.1
117.07008	9.6
118.96757	6.0
119.08600	10.8
121.10120	2.3
128.06215	1.9
129.07001	5.3
130.07797	6.0
131.08571	21.7
133.10129	10.1
133.99112	1.4
136.74594	0.9
141.07013	1.3
142.07759	3.4
143.08566	9.5
144.09325	10.2
145.10123	45.6
150.95724	1.3
154.96429	1.7
155.08534	1.4
157.10139	14.5
158.10899	4.4
159.11693	70.7
159.96942	1.0
160.12048	2.1
171.11714	7.7
172.12485	7.4
173.13260	16.1
177.98094	3.9
186.14001	6.5
199.14874	1.3
201.12708	4.1
201.16383	100.0
201.24039	8.2
202.16760	4.2
202.40532	1.1
205.63339	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1273
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
53.03947	0.6
55.05508	1.1
56.05017	0.4
56.96549	1.0
65.03931	0.8
67.05502	4.7
69.03422	2.0
69.07082	0.7
70.97193	0.8
70.97521	0.9
79.05483	2.8
81.07063	3.7
91.05482	11.3
93.07043	5.8
95.01661	0.6
95.04966	2.1
95.08613	1.2
103.05482	0.7
104.28876	0.5
104.40647	0.6
105.07030	10.5
106.81776	0.5
107.08595	1.6
109.06507	1.0
113.23467	0.4
115.05461	2.5
115.24092	0.4
116.06244	2.0
117.07022	5.3
118.96752	1.0
119.08581	18.3
121.06500	2.2
121.10133	0.5
124.95713	0.4
128.06218	6.3
129.06998	9.9
130.07794	4.2
131.08568	36.6
133.10130	41.9
134.10509	1.0
141.06992	3.1
142.07751	4.1
143.08560	36.5
144.05733	0.6
144.09363	9.8
145.06473	4.6
145.10121	32.1
146.07219	0.9
146.10500	0.8
153.06995	2.3
155.05896	0.5
155.08575	3.3
156.09297	2.6
157.06476	1.9
157.10126	5.7
158.07315	3.9
158.10909	45.2
159.08072	11.3
159.11696	11.9
160.08838	1.5
161.09645	1.4
167.08466	0.6
168.09366	2.3
171.08038	11.6
171.11639	2.9
172.08839	14.1
172.12329	0.6
173.09657	14.6
173.13258	100.0
174.13562	2.5
177.98099	0.9
183.11673	3.8
185.09642	2.2
186.10397	44.4
187.10789	1.3
201.12747	61.9
201.16383	4.3
202.13095	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1272
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
51.41548	0.6
53.03938	1.6
54.95815	0.6
55.05512	5.0
56.96562	2.3
57.03434	1.2
57.07076	1.5
59.05006	0.6
60.04545	0.6
65.03931	1.1
67.05498	6.9
68.05024	0.9
69.03419	3.2
69.07066	4.4
70.06596	0.7
71.04977	1.5
71.57542	0.9
71.57958	1.1
79.05492	5.7
81.07050	13.3
83.06107	0.7
83.08604	2.6
85.02911	0.9
85.06528	1.5
91.05468	15.0
91.06020	1.2
93.07040	8.0
95.04955	2.3
95.06084	6.2
95.08590	6.2
98.97566	2.4
102.04725	0.8
103.05477	0.9
105.07027	17.5
107.08588	5.7
109.06513	1.4
109.10156	2.2
114.40448	0.6
115.05468	4.6
116.06237	2.4
116.98615	2.3
117.07005	11.1
118.96751	1.0
119.08576	24.3
121.06499	2.2
121.10134	3.0
123.05541	6.4
123.11690	9.7
128.02292	1.0
128.06210	6.4
129.07004	13.1
130.04158	0.9
130.06520	0.7
130.07762	4.5
131.04942	1.0
131.08560	42.3
133.06433	0.7
133.10118	43.3
134.10483	0.8
134.99678	2.5
141.06975	4.2
142.07784	3.8
143.08553	38.3
144.05687	1.6
144.09372	10.4
145.06502	6.6
145.10117	46.4
146.07222	0.9
147.11679	4.2
153.06944	2.8
154.96445	0.7
155.08516	4.6
156.09337	2.8
157.06470	2.0
157.10120	7.1
158.03590	1.9
158.07304	4.8
158.10899	44.5
159.08054	12.6
159.09135	0.9
159.11678	25.6
160.08780	0.9
161.09592	1.3
162.03070	0.7
165.12840	1.4
168.09348	2.7
171.08043	12.9
171.11641	4.0
172.08820	13.8
172.12457	2.0
173.05986	4.2
173.09663	12.8
173.13252	100.0
174.13573	1.6
177.00713	0.8
183.08029	1.0
183.11679	5.0
185.09651	3.1
186.03148	0.7
186.06816	1.3
186.10390	41.8
187.10803	1.3
201.05356	5.5
201.08777	6.8
201.12732	56.7
201.16377	15.1
202.13046	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.091
Annotation	3-methoxy-5-phenylphenol
Peak:m/z	Relative Intensity
50.94489	0.3
52.49683	0.3
53.03931	0.4
54.68847	0.3
55.05488	0.7
55.68234	0.3
56.96559	0.9
57.03425	0.4
57.07057	0.4
67.01852	0.8
67.05495	0.7
69.03453	0.3
69.07050	0.7
70.71267	0.9
71.01330	0.4
71.04967	0.4
71.29015	0.3
73.02879	0.3
79.05494	1.2
81.07053	1.9
83.08621	0.4
89.50246	0.3
90.07461	0.3
91.05478	2.5
93.07046	0.8
95.04951	0.7
95.08591	1.3
98.97563	1.1
103.05446	1.4
105.03395	1.8
105.07022	3.7
107.08579	1.1
109.10155	0.5
110.03953	0.3
115.05445	5.3
116.06236	2.1
116.98621	0.9
117.07018	15.2
118.07337	0.4
119.08570	1.4
121.10134	0.5
123.08055	0.6
128.06229	1.6
129.07018	3.9
130.04109	0.3
130.07759	1.2
131.04900	0.9
131.08575	3.5
133.06502	3.7
133.10063	0.6
134.99651	0.6
140.06190	1.1
141.06978	0.7
143.08560	0.7
144.05685	4.3
144.09317	0.6
145.06487	7.3
145.09035	0.7
145.10123	7.5
153.06992	5.2
154.07784	2.2
155.04933	0.4
155.05997	1.3
155.08554	15.3
155.35403	0.3
156.08870	0.5
157.10147	0.5
158.03633	0.7
158.07262	2.8
159.04402	0.5
159.08012	0.8
159.09232	0.4
159.11710	4.6
165.06915	0.8
168.05681	0.7
169.06502	0.5
172.05228	0.4
173.05991	19.9
173.09612	5.4
173.13239	1.2
174.06323	0.5
177.00711	0.6
181.06499	0.5
183.08025	5.0
185.05969	2.2
186.06764	7.5
189.07849	0.4
201.09105	100.0
201.16359	4.9
201.40604	0.3
202.09402	4.6
215.09465	0.3
221.62247	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.3
55.01863	2.1
55.05525	6.6
56.05036	9.4
56.96292	2.2
56.96564	34.3
57.03408	2.1
57.07047	1.5
58.06607	8.9
58.99835	2.0
59.04994	2.4
60.04520	1.4
61.02940	1.5
61.83761	1.1
67.05489	3.8
68.05023	2.5
69.03416	3.8
69.07061	4.1
70.02940	2.5
70.06594	25.8
71.04999	2.4
71.13276	2.2
71.13614	2.0
71.95245	1.6
72.04510	2.9
72.08154	30.8
73.02908	4.4
74.02454	1.5
74.06084	10.7
75.02718	1.4
77.00898	3.0
79.05482	4.0
81.03409	3.4
81.07043	4.1
82.06574	9.2
82.99858	1.9
83.04977	6.4
83.06100	1.5
84.04511	9.5
84.08141	27.4
84.96024	4.8
85.02886	3.4
86.06055	4.4
86.09705	15.8
86.99280	1.6
88.07636	1.3
91.05473	5.5
92.05821	1.9
93.07037	3.8
94.06554	2.1
94.07378	1.2
95.01910	1.5
95.04967	4.5
95.08592	2.4
96.04491	2.6
96.08128	5.7
97.02886	3.3
97.06510	1.8
97.07715	1.1
98.06020	2.3
98.09718	3.0
98.97585	14.0
99.04504	1.7
100.07614	4.0
101.00875	8.1
101.07133	5.3
102.05530	1.6
102.97027	1.4
103.00613	1.3
103.02451	3.9
103.05495	1.7
105.00343	1.5
105.07034	2.9
106.00368	1.9
106.07326	1.5
107.04967	6.0
108.04427	1.2
108.08095	3.4
109.06515	7.4
109.07680	1.3
109.08444	1.4
110.06042	2.4
110.07105	1.3
110.09664	4.8
110.97604	3.2
111.04427	2.7
112.07584	2.1
112.11262	2.3
113.00851	2.3
114.05534	1.7
115.02429	2.4
116.98610	15.6
117.02168	2.0
118.01141	6.2
118.03522	1.8
118.07381	1.4
118.96738	1.2
119.01920	100.0
119.04951	2.1
120.02003	9.9
120.08095	2.3
120.98043	1.4
121.01638	9.3
121.03477	4.3
121.06493	7.0
122.06860	1.9
123.01406	2.0
123.04417	2.4
124.07593	3.0
125.05981	1.3
126.05504	1.4
128.07092	3.0
128.10727	7.3
128.98604	9.7
129.10268	2.1
130.08623	2.9
131.01903	38.1
132.01939	2.0
132.08014	1.4
132.97881	1.3
133.01659	2.9
133.03471	15.3
133.05090	1.5
134.99667	22.8
135.03206	6.9
135.05034	2.3
136.02281	1.5
136.04652	1.7
136.06221	1.3
136.07532	4.0
136.08455	2.4
137.02963	64.8
137.05956	11.1
137.07974	2.2
138.02087	1.2
138.03036	7.7
138.05386	2.0
138.09149	4.4
139.02695	5.6
139.03764	1.7
140.10701	1.6
141.06497	6.7
142.03510	6.8
142.08635	3.0
143.00134	1.4
143.01886	2.7
144.99818	3.2
145.03442	10.7
145.99840	1.6
146.99640	21.6
147.01408	2.7
147.03163	3.2
147.05042	7.2
149.01192	2.9
149.01738	1.3
149.02953	18.7
149.05922	1.5
150.06163	1.4
151.02678	2.4
151.04500	6.3
151.06297	1.9
152.04625	1.3
153.00706	4.4
153.05421	1.9
153.07532	1.9
154.03517	1.8
154.05803	3.3
154.08575	1.3
155.01880	3.2
155.07008	2.3
155.08994	2.7
155.11769	4.5
156.05124	1.6
156.10194	3.4
157.03520	2.0
158.99669	3.9
159.01405	1.9
159.03146	3.0
159.05098	2.4
160.04565	6.1
161.01317	3.1
161.02956	16.6
163.00865	1.4
163.02769	2.6
163.04515	13.8
163.54567	1.3
165.00699	5.0
165.06038	3.5
166.08662	5.1
166.12363	1.6
168.05165	3.1
170.99673	1.9
171.05090	4.2
173.01164	3.4
173.02965	10.5
173.06754	1.3
173.08331	3.0
173.12842	6.6
175.04585	1.8
177.00714	9.1
177.02441	3.2
177.04152	6.0
177.05867	1.5
178.05602	2.7
179.04008	2.8
183.04996	1.6
183.07687	1.9
184.09737	7.5
184.13272	2.5
185.08067	2.3
187.00838	4.2
187.02757	4.0
189.00659	3.9
189.06071	9.2
191.04021	3.9
191.09431	2.3
195.01756	3.0
195.03500	1.7
195.05296	1.8
201.00763	2.8
201.02434	4.3
201.04266	2.5
201.05972	7.2
201.07579	2.3
201.09756	4.5
201.12459	9.3
201.16141	3.9
202.10793	2.6
205.01865	2.9
205.03697	2.7
219.01811	4.8
219.03514	4.4
219.05229	1.4
219.07109	3.0
219.08904	3.1
219.10789	3.4
221.77328	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.3
55.01863	2.1
55.05525	6.6
56.05036	9.4
56.96292	2.2
56.96564	34.3
57.03408	2.1
57.07047	1.5
58.06607	8.9
58.99835	2.0
59.04994	2.4
60.04520	1.4
61.02940	1.5
61.83761	1.1
67.05489	3.8
68.05023	2.5
69.03416	3.8
69.07061	4.1
70.02940	2.5
70.06594	25.8
71.04999	2.4
71.13276	2.2
71.13614	2.0
71.95245	1.6
72.04510	2.9
72.08154	30.8
73.02908	4.4
74.02454	1.5
74.06084	10.7
75.02718	1.4
77.00898	3.0
79.05482	4.0
81.03409	3.4
81.07043	4.1
82.06574	9.2
82.99858	1.9
83.04977	6.4
83.06100	1.5
84.04511	9.5
84.08141	27.4
84.96024	4.8
85.02886	3.4
86.06055	4.4
86.09705	15.8
86.99280	1.6
88.07636	1.3
91.05473	5.5
92.05821	1.9
93.07037	3.8
94.06554	2.1
94.07378	1.2
95.01910	1.5
95.04967	4.5
95.08592	2.4
96.04491	2.6
96.08128	5.7
97.02886	3.3
97.06510	1.8
97.07715	1.1
98.06020	2.3
98.09718	3.0
98.97585	14.0
99.04504	1.7
100.07614	4.0
101.00875	8.1
101.07133	5.3
102.05530	1.6
102.97027	1.4
103.00613	1.3
103.02451	3.9
103.05495	1.7
105.00343	1.5
105.07034	2.9
106.00368	1.9
106.07326	1.5
107.04967	6.0
108.04427	1.2
108.08095	3.4
109.06515	7.4
109.07680	1.3
109.08444	1.4
110.06042	2.4
110.07105	1.3
110.09664	4.8
110.97604	3.2
111.04427	2.7
112.07584	2.1
112.11262	2.3
113.00851	2.3
114.05534	1.7
115.02429	2.4
116.98610	15.6
117.02168	2.0
118.01141	6.2
118.03522	1.8
118.07381	1.4
118.96738	1.2
119.01920	100.0
119.04951	2.1
120.02003	9.9
120.08095	2.3
120.98043	1.4
121.01638	9.3
121.03477	4.3
121.06493	7.0
122.06860	1.9
123.01406	2.0
123.04417	2.4
124.07593	3.0
125.05981	1.3
126.05504	1.4
128.07092	3.0
128.10727	7.3
128.98604	9.7
129.10268	2.1
130.08623	2.9
131.01903	38.1
132.01939	2.0
132.08014	1.4
132.97881	1.3
133.01659	2.9
133.03471	15.3
133.05090	1.5
134.99667	22.8
135.03206	6.9
135.05034	2.3
136.02281	1.5
136.04652	1.7
136.06221	1.3
136.07532	4.0
136.08455	2.4
137.02963	64.8
137.05956	11.1
137.07974	2.2
138.02087	1.2
138.03036	7.7
138.05386	2.0
138.09149	4.4
139.02695	5.6
139.03764	1.7
140.10701	1.6
141.06497	6.7
142.03510	6.8
142.08635	3.0
143.00134	1.4
143.01886	2.7
144.99818	3.2
145.03442	10.7
145.99840	1.6
146.99640	21.6
147.01408	2.7
147.03163	3.2
147.05042	7.2
149.01192	2.9
149.01738	1.3
149.02953	18.7
149.05922	1.5
150.06163	1.4
151.02678	2.4
151.04500	6.3
151.06297	1.9
152.04625	1.3
153.00706	4.4
153.05421	1.9
153.07532	1.9
154.03517	1.8
154.05803	3.3
154.08575	1.3
155.01880	3.2
155.07008	2.3
155.08994	2.7
155.11769	4.5
156.05124	1.6
156.10194	3.4
157.03520	2.0
158.99669	3.9
159.01405	1.9
159.03146	3.0
159.05098	2.4
160.04565	6.1
161.01317	3.1
161.02956	16.6
163.00865	1.4
163.02769	2.6
163.04515	13.8
163.54567	1.3
165.00699	5.0
165.06038	3.5
166.08662	5.1
166.12363	1.6
168.05165	3.1
170.99673	1.9
171.05090	4.2
173.01164	3.4
173.02965	10.5
173.06754	1.3
173.08331	3.0
173.12842	6.6
175.04585	1.8
177.00714	9.1
177.02441	3.2
177.04152	6.0
177.05867	1.5
178.05602	2.7
179.04008	2.8
183.04996	1.6
183.07687	1.9
184.09737	7.5
184.13272	2.5
185.08067	2.3
187.00838	4.2
187.02757	4.0
189.00659	3.9
189.06071	9.2
191.04021	3.9
191.09431	2.3
195.01756	3.0
195.03500	1.7
195.05296	1.8
201.00763	2.8
201.02434	4.3
201.04266	2.5
201.05972	7.2
201.07579	2.3
201.09756	4.5
201.12459	9.3
201.16141	3.9
202.10793	2.6
205.01865	2.9
205.03697	2.7
219.01811	4.8
219.03514	4.4
219.05229	1.4
219.07109	3.0
219.08904	3.1
219.10789	3.4
221.77328	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1281
Annotation	N-Hexanoyl-L-homoserine lactone
Peak:m/z	Relative Intensity
53.00307	0.6
55.05509	1.3
56.05033	1.6
56.96569	2.1
57.03443	0.9
57.07067	0.7
67.05500	0.8
68.05018	0.6
69.03436	1.5
69.07072	1.8
70.06613	0.8
70.68273	0.4
71.08628	7.2
71.57370	0.5
71.57801	0.9
72.08168	0.9
74.09706	0.7
78.42568	0.4
79.05492	0.8
80.04969	0.5
81.03432	0.5
81.07062	1.3
83.06089	0.6
84.04503	16.4
84.08150	0.6
85.02902	29.7
85.06548	1.9
86.06081	0.8
86.09712	1.6
87.04435	0.8
88.11263	2.3
88.95038	0.4
91.05461	0.7
94.06580	0.8
95.01336	3.1
95.04967	1.1
95.08628	0.5
97.06544	0.6
97.07591	0.5
97.88171	0.5
98.97575	1.2
102.05540	14.3
104.10747	0.6
110.46067	0.5
112.03997	2.7
112.04710	0.6
115.05453	0.6
116.98621	1.2
118.96786	1.1
122.06036	0.5
124.29092	0.5
130.05000	100.0
131.05356	1.1
134.99678	2.1
136.07509	0.4
137.05983	0.6
138.09172	1.3
140.07086	0.7
145.06497	0.8
146.99608	0.7
153.00714	0.7
154.06734	0.9
154.08641	0.5
155.08496	0.5
172.09702	0.7
172.13362	0.8
173.05898	0.6
177.00702	0.5
177.98088	0.7
181.33542	0.5
182.11847	0.5
200.12811	70.7
200.19164	1.9
201.05484	0.8
201.09116	0.9
201.13145	2.0
201.16124	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61237	1.1
53.03932	1.4
54.30920	1.0
55.05508	2.0
55.12825	1.0
56.05035	1.8
56.96569	5.1
65.03915	1.6
67.04229	1.3
67.05502	9.6
68.05016	3.2
69.03432	11.0
69.07069	9.3
70.02981	1.2
70.06603	1.6
70.97872	1.1
70.98221	2.7
74.06079	2.1
75.54768	1.2
79.05487	4.6
80.05008	4.4
80.76345	1.0
81.03413	1.5
81.07047	5.6
82.02913	1.0
82.06597	5.1
83.04985	2.0
83.06116	1.2
84.04506	1.4
84.08136	2.7
85.02911	2.1
91.05476	12.3
93.05779	4.6
93.07056	7.1
94.02919	1.3
94.06569	32.9
95.04973	6.4
95.08620	1.2
96.04523	2.0
96.08109	3.1
97.06516	2.8
98.06060	1.9
98.97589	7.0
99.06905	1.1
107.07371	1.2
108.04470	2.6
108.07426	2.2
108.08120	32.3
109.06524	6.3
110.06041	21.2
111.03003	1.0
111.08061	2.2
112.03955	4.7
112.07585	7.7
116.98603	6.8
117.05730	2.4
118.06535	4.7
118.96702	1.2
119.04941	1.0
120.08107	3.2
121.06529	2.7
122.06030	77.0
122.09628	1.5
123.04404	3.8
123.06775	3.6
124.07594	4.1
126.09118	3.8
128.98578	1.6
134.99632	4.2
135.04425	1.6
136.07579	81.7
137.05980	10.1
138.05461	1.3
138.09158	3.1
139.07523	4.5
140.07066	100.0
146.99609	1.0
154.05081	1.4
154.08630	61.7
155.11737	1.6
161.01202	1.1
164.07095	12.3
165.05533	2.7
168.10213	2.1
172.52687	1.3
177.00737	1.6
182.08130	52.5
200.09178	53.8
200.12874	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	200.0918
Annotation	L-Anticapsin
Peak:m/z	Relative Intensity
53.03940	2.4
55.05495	2.3
56.05019	3.5
56.96548	6.3
57.03414	1.8
57.07058	1.8
57.92757	1.1
57.98183	1.2
62.86703	1.0
65.03929	1.2
67.05499	10.3
68.05028	2.5
69.03128	1.0
69.03427	11.7
69.07064	10.8
70.06559	3.7
70.50375	3.6
71.04971	1.2
72.08117	1.3
73.02890	1.6
74.06068	3.5
74.09707	2.3
79.05492	6.5
80.05037	5.5
81.03398	2.4
81.07052	6.5
82.06566	8.9
82.75762	1.1
83.04972	1.9
83.06081	1.7
84.04485	3.1
84.08151	5.6
85.02897	1.8
85.06519	1.8
86.06069	1.3
88.03961	1.6
91.05481	10.8
93.05791	5.9
93.07045	8.0
94.06563	37.5
95.04975	8.4
95.08604	2.7
95.67584	1.1
96.04491	2.5
96.08126	3.3
97.02898	2.4
97.06512	4.6
98.06034	3.2
98.20783	1.1
98.97562	5.4
100.07639	1.5
106.06554	2.4
107.07347	1.4
108.04449	4.8
108.08118	32.9
109.06531	6.5
110.06038	21.1
111.04452	1.5
111.06808	1.3
111.08061	2.3
112.03978	5.8
112.07610	7.9
116.09027	1.2
116.98614	7.3
117.05828	1.1
118.06528	3.8
118.96772	1.4
119.01919	1.5
120.08095	3.9
121.06452	2.8
122.06027	88.8
122.09628	4.4
123.04424	2.8
123.06821	2.8
124.07559	4.2
126.05452	1.4
126.09161	9.7
134.05962	2.5
134.99657	7.6
135.04222	1.1
136.07573	81.4
137.05981	8.5
137.07866	1.3
138.09114	4.6
139.07516	4.1
140.07057	100.0
144.10152	1.3
146.99614	2.0
150.09116	2.6
152.07034	1.4
153.00661	2.0
154.05035	2.5
154.08626	73.0
158.01155	1.2
164.07056	12.8
165.05414	3.3
168.10193	3.1
176.04114	1.4
177.00609	1.3
182.08119	62.5
183.08426	3.2
200.09154	55.7
200.12807	5.2
200.18829	1.2
213.81444	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0965
Annotation	Suspenolic acid
Peak:m/z	Relative Intensity
53.03935	4.5
55.01874	7.4
55.05517	9.4
56.05848	1.4
56.96569	10.2
57.03435	3.4
57.07065	3.2
57.93551	2.1
58.07412	1.1
59.06127	2.3
61.02913	1.1
65.03946	2.2
67.05505	8.3
68.04984	0.9
69.03432	5.4
69.07076	6.9
70.00829	3.1
70.01247	1.9
70.06575	1.6
70.07398	2.5
71.04988	2.5
71.08620	0.9
72.04507	2.8
72.08155	2.1
73.02908	2.4
74.09718	14.2
75.94598	1.1
79.05495	26.6
80.05836	1.1
81.03410	2.1
81.07069	11.3
82.07410	1.3
83.04987	5.4
83.06096	1.7
83.08618	6.5
84.08192	1.5
84.08952	2.2
85.02898	2.8
85.03968	0.9
86.06060	1.4
86.09693	2.5
89.06034	0.9
91.05482	27.7
93.03413	1.7
93.07047	51.2
94.07410	1.5
95.04978	16.7
95.08628	4.2
97.02908	3.9
97.06541	6.7
97.07636	1.2
97.10173	1.5
98.06074	1.8
98.10442	0.9
98.97563	6.1
99.04459	1.4
99.05593	1.1
100.07642	4.7
100.11244	1.3
103.05470	6.9
105.03384	2.2
105.04530	1.5
105.07023	1.8
107.04978	4.7
107.08598	2.0
109.06535	2.8
109.10191	1.2
110.03632	1.2
110.06047	3.4
111.04452	13.1
111.08089	4.8
113.06000	1.2
115.05434	1.6
116.97236	11.0
116.98594	7.4
121.02881	1.4
121.06509	54.3
121.10137	1.7
122.06043	0.9
122.06961	1.0
123.04441	3.2
123.08067	15.2
125.02374	2.6
125.05999	3.5
125.09653	1.1
127.03934	2.3
128.06244	2.1
129.07028	1.5
130.06520	1.5
131.04916	1.2
131.99519	3.4
132.95792	1.3
134.99683	10.3
135.04466	1.4
135.08058	2.4
136.07576	2.2
137.02383	5.0
137.03473	1.0
137.05957	6.7
139.03920	3.2
139.07539	34.6
139.08626	1.9
140.04694	3.6
141.06967	2.3
143.04938	1.3
143.08546	3.2
146.99664	1.6
148.96208	2.8
149.02348	1.3
149.05966	12.4
150.96861	1.2
152.96973	3.1
153.00710	2.9
153.01869	2.7
155.07144	1.5
155.08501	1.6
156.09370	3.6
163.03931	1.1
163.07576	1.6
165.06912	1.1
166.02641	2.1
166.06302	3.8
166.07695	1.0
167.07045	100.0
168.07483	1.4
170.97958	1.5
171.04413	1.5
171.08087	2.7
171.11713	2.3
175.98512	7.7
177.00629	1.7
181.05002	13.9
181.06535	2.2
181.08591	13.0
181.10052	1.8
182.08115	5.7
184.02905	4.1
185.08168	1.7
198.18550	1.6
199.03915	3.4
199.07533	2.9
199.09544	1.1
199.11316	4.2
199.14804	1.9
199.18901	66.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0754
Annotation	3,4-Dihydroxyfluorene
Peak:m/z	Relative Intensity
55.05517	1.1
57.07056	0.4
59.11281	0.4
69.07080	0.7
70.83598	0.7
70.83974	0.6
72.04507	0.6
74.09718	2.7
80.00263	0.4
83.08625	0.6
88.33302	0.4
95.61884	0.4
98.97559	0.6
100.07613	1.1
102.04732	0.5
111.04463	1.2
115.05457	6.2
116.97231	2.6
116.98636	0.6
127.05498	0.5
128.06223	28.9
131.99483	0.5
139.05437	1.1
140.06290	0.7
141.06969	5.0
143.08556	1.7
145.06477	0.7
152.06245	0.8
152.96986	0.6
155.04976	0.9
156.05698	34.1
157.10112	1.2
168.05688	4.2
169.06438	2.1
171.08064	4.7
175.98512	1.2
184.05197	72.7
185.05508	1.5
199.07541	100.0
199.18887	11.6
200.07953	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	198.9854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20466	0.4
50.62534	0.4
55.49405	0.4
56.05014	0.4
59.69282	0.4
64.71646	0.4
70.78182	1.3
71.51584	0.4
73.16998	0.4
100.56159	0.5
101.00901	0.9
118.03532	0.7
119.01929	5.3
120.95387	0.8
121.01733	0.4
127.00896	1.0
128.00856	0.6
131.01883	1.7
133.81613	0.4
134.04799	0.4
134.99709	0.5
137.02948	2.8
138.03044	0.4
138.96416	2.2
145.98651	1.7
146.48694	0.8
148.01445	0.5
149.02986	1.8
156.97482	50.3
157.49425	0.6
157.96436	0.4
157.97498	2.0
166.99330	0.7
169.49501	0.7
171.03166	0.6
171.98503	0.9
174.98541	100.0
175.98628	3.3
176.05838	0.6
176.99092	0.5
177.00934	1.1
178.49969	0.5
179.99121	1.7
182.99904	0.4
192.45764	0.5
198.00139	1.8
198.18538	1.4
198.61949	0.4
198.98561	5.6
199.00322	0.8
199.18929	0.8
216.96269	1.1
216.99593	21.1
217.99689	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	7.2
56.05033	35.2
56.96563	5.5
57.03439	2.3
57.04559	9.2
57.07071	3.8
58.99868	1.8
59.06132	2.4
60.04503	2.5
69.07062	6.0
69.71578	8.1
69.71989	4.1
70.06587	3.5
71.04993	4.6
71.62099	1.8
72.04516	5.6
72.08149	2.4
74.09723	16.2
75.94597	2.8
77.00910	4.5
81.03400	3.4
81.07043	3.0
83.04948	2.1
83.08622	3.9
86.06069	2.0
86.49734	1.8
93.95718	1.7
95.01956	2.1
95.05013	2.2
95.08603	2.6
97.06492	2.2
98.20620	2.6
98.97589	7.8
99.04453	5.2
99.05587	18.7
99.06194	3.0
99.08105	3.8
100.01797	1.9
100.02474	7.9
100.07590	4.5
101.00874	7.2
103.00600	2.2
111.04450	8.3
116.01967	7.7
116.97222	24.0
116.98573	12.8
118.02670	3.1
118.03518	58.5
119.01919	79.9
119.03624	3.3
120.02055	5.8
121.01666	18.8
121.03442	2.8
127.50930	2.4
130.03511	12.0
131.99567	6.6
132.05075	7.1
133.03534	4.4
133.04605	6.4
134.02989	95.4
134.04823	13.5
134.06636	2.8
134.95839	2.1
134.99672	21.2
135.03181	4.5
136.04553	100.0
137.02960	70.8
137.04659	5.1
138.03148	3.7
139.02643	17.2
139.03529	3.2
141.05128	2.9
142.03487	13.8
147.05072	2.8
148.01398	2.2
148.04593	5.6
148.96118	3.0
149.01350	2.3
149.03633	2.7
149.06590	2.9
150.06168	6.3
150.27496	1.8
152.04039	37.5
152.05821	13.0
152.96922	8.7
153.00748	7.6
154.03633	2.3
155.01117	1.9
155.06795	2.1
156.97568	3.7
157.03455	4.6
157.04584	40.5
158.01663	2.4
158.03023	16.5
158.04811	4.9
158.51505	3.4
159.05052	11.2
159.06181	5.9
160.04596	16.6
160.06094	3.2
161.03014	4.3
161.04462	2.6
167.04633	4.7
171.04991	2.3
172.04521	11.8
173.07813	2.7
174.06212	3.9
174.98607	9.9
175.04308	8.1
175.05670	75.0
175.98541	19.3
176.02504	2.9
176.04089	41.4
176.05899	44.8
177.00917	18.4
177.06039	8.8
178.01003	3.0
178.04164	2.3
178.05658	11.8
181.04659	4.1
189.06036	2.7
190.05652	8.2
192.98769	2.5
193.06711	34.4
194.05153	12.9
194.06976	20.6
195.07304	2.0
198.07263	2.7
199.04160	2.7
199.05719	27.6
199.07593	2.8
199.18900	65.3
200.04018	5.5
216.99452	2.1
217.06917	29.0
217.09119	4.4
218.05055	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.1
60.08139	1.0
61.07648	1.1
62.70429	0.9
68.48737	1.1
69.33643	5.2
69.34068	4.0
70.06590	37.6
86.03660	0.9
95.06059	3.0
98.21477	1.5
99.65715	1.0
100.95483	1.0
119.01879	2.0
170.06647	4.5
173.02968	1.1
188.07666	3.1
198.05266	100.0
198.18535	23.2
198.20255	0.6
199.05542	1.7
206.80801	1.1
216.07190	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	198.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.8
55.05505	7.6
56.96561	1.5
57.03419	3.5
57.07066	3.5
58.99849	1.5
61.02917	1.8
67.05489	2.9
69.03429	2.2
69.07065	7.4
70.06590	30.1
71.04958	0.9
71.08634	1.6
71.56322	1.4
72.04502	1.0
72.08138	0.9
73.02902	2.9
75.66314	0.8
76.88826	0.9
77.00893	2.5
79.05480	2.6
81.03401	2.5
81.07035	3.4
82.01434	2.5
82.06573	1.4
83.04981	0.8
83.08616	5.1
84.08133	1.7
85.01390	1.9
85.02879	3.2
86.06087	1.3
88.02686	0.7
89.00904	0.9
91.05464	0.8
92.90086	0.8
93.03429	0.9
93.07032	1.3
95.06080	3.2
95.08591	2.8
97.02862	1.1
97.10162	2.4
100.02478	21.9
100.07619	1.8
101.00884	1.0
102.00970	0.9
102.02258	2.2
103.02448	15.5
106.06569	1.7
107.04933	3.2
107.08572	1.7
111.02904	1.6
111.04442	1.7
112.47638	0.8
113.00848	2.1
114.09170	1.0
115.02413	1.0
115.03168	1.1
118.01176	0.8
118.03525	24.1
119.01923	9.7
120.01990	6.1
120.03307	2.5
121.01649	2.6
121.03490	15.5
121.10091	1.1
123.04028	1.0
124.11269	1.2
126.04046	2.3
128.98540	0.9
131.01897	8.8
133.03436	2.2
134.06029	1.5
135.04433	3.3
137.02953	4.3
138.03119	2.9
139.02844	1.0
139.03860	4.7
141.05176	1.1
143.50897	0.9
144.05069	4.9
145.03485	2.1
146.20844	0.8
147.01395	12.2
147.03212	3.3
149.02954	5.8
151.02769	1.0
152.01955	1.8
152.07057	7.5
152.10718	1.1
154.03497	4.2
156.97490	1.9
157.03529	1.8
161.02971	2.1
165.02483	1.7
165.04274	4.7
170.02988	28.6
170.04767	2.6
170.06619	2.9
171.03168	1.0
172.04561	2.9
173.02916	2.3
174.97194	0.8
174.98557	3.8
175.00883	1.1
175.02687	1.8
175.04462	1.9
178.70239	1.0
181.04985	0.8
185.02934	2.3
188.04169	1.2
188.05858	2.2
188.07642	2.2
193.00204	1.0
193.01903	1.2
193.03658	1.2
198.06075	3.6
198.18527	100.0
216.05421	1.2
216.07193	7.2
216.99551	1.1
217.14890	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1536
Annotation	Dihydrocarveyl acetate
Peak:m/z	Relative Intensity
52.08812	1.7
55.01856	4.6
55.05511	29.0
56.96556	3.6
57.03434	4.2
57.07070	8.0
67.05500	42.1
67.90051	2.0
68.45451	1.9
69.07066	20.4
70.83667	4.2
70.84001	2.2
70.95854	5.4
71.04993	19.6
72.93769	4.4
73.03497	1.7
79.05492	22.9
81.07057	83.7
82.68286	1.9
83.04972	7.0
83.08621	22.9
83.42845	1.8
85.06536	19.5
88.96893	3.3
91.05479	27.2
93.07037	29.5
95.04932	6.9
95.08607	100.0
97.06528	42.8
97.10148	6.4
99.04449	2.7
99.08092	7.0
105.07037	23.8
107.08582	16.6
108.47459	2.0
109.06511	4.9
109.10139	10.3
111.08086	8.7
111.98488	4.3
119.08582	35.3
119.41121	1.7
121.10144	7.8
123.04441	3.8
123.08103	5.3
125.09563	2.2
129.99475	2.5
132.95837	6.0
133.10138	30.7
134.03326	2.4
135.11681	24.5
137.09604	2.3
137.13251	16.0
137.25360	2.3
150.96904	17.6
151.03873	2.3
151.07530	2.8
154.15791	2.6
155.97397	4.5
161.09641	3.5
161.13251	42.1
167.08600	3.6
169.08649	2.3
169.10164	1.9
173.98462	9.4
179.07094	5.1
179.10664	8.3
179.14301	22.4
182.10901	4.6
197.11711	6.1
197.13313	5.2
197.15213	13.0
198.18530	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1172
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03949	1.6
55.01870	1.3
55.05508	4.5
56.96564	1.1
57.03431	1.2
57.07079	1.6
59.05007	4.0
62.14274	0.5
65.03938	1.1
67.05508	6.3
69.03432	2.3
69.07069	2.6
70.72423	1.4
70.95874	2.9
71.04998	1.4
72.93785	2.5
73.02930	1.3
77.03934	0.6
79.05499	7.4
81.03425	0.6
81.07059	11.0
81.79825	0.5
83.04971	1.2
83.08604	0.8
85.02900	0.8
85.06544	2.2
88.96887	0.8
91.05479	22.2
92.06260	0.8
93.07047	26.9
95.04968	11.9
95.08633	4.0
97.02899	0.9
97.06546	0.9
103.05448	1.1
105.03388	0.8
105.07030	39.4
107.04975	1.1
107.08595	73.6
108.08922	0.8
109.06517	8.5
109.10161	7.1
111.04415	0.6
111.98463	1.2
113.06005	1.9
113.08226	1.1
113.55770	0.6
114.20300	0.5
115.05470	1.4
117.07029	1.7
118.07831	1.4
119.04929	3.7
119.06075	1.4
119.08585	10.4
120.09396	1.0
121.06488	8.3
121.10163	1.5
123.04430	6.0
123.08080	1.4
123.11692	4.7
125.06039	0.8
128.06223	1.3
129.99506	1.7
131.08551	3.3
132.95830	2.1
133.10132	79.3
134.10481	0.7
135.08049	2.0
135.11691	54.9
136.12048	0.8
137.05972	4.0
137.08191	0.8
137.09622	5.4
138.06693	0.7
141.05490	1.3
141.07008	1.1
143.08604	1.3
146.07262	1.7
146.99628	0.9
150.96892	6.2
151.03987	1.1
151.07533	1.2
151.11195	6.7
154.07794	0.9
155.97420	2.1
161.09621	33.7
164.04723	0.7
169.10010	1.1
173.98492	4.1
179.07202	2.2
179.10670	100.0
180.11073	0.7
182.07368	0.7
197.05905	1.4
197.11726	52.5
197.13132	1.9
198.18517	0.8
210.01981	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1171
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
52.01980	1.1
55.01867	1.4
55.05510	4.3
67.05500	4.4
69.03424	2.5
69.07088	2.2
69.26242	14.4
69.26637	2.2
70.95856	2.9
71.05031	1.3
73.02910	1.6
79.05508	8.2
81.03448	1.4
81.07058	9.1
87.04430	1.4
88.79446	1.3
91.05491	18.2
93.07040	18.8
95.04971	3.8
95.08606	5.6
99.04462	1.9
105.07036	34.4
107.08598	100.0
109.06519	6.9
109.10163	4.2
110.64836	1.3
111.98438	2.4
113.08235	1.9
115.23075	1.5
117.51965	1.2
119.04948	1.7
119.08578	13.8
121.06478	2.7
121.10152	17.0
123.08052	2.8
123.11691	3.3
125.05987	1.5
125.09647	2.0
128.06233	1.4
129.99545	3.0
131.04869	1.3
131.08577	3.3
132.95859	1.8
133.10135	59.2
135.11688	3.1
137.05959	3.1
137.09612	3.2
139.07544	3.7
143.08557	1.8
149.07079	1.6
149.09610	9.8
150.96896	8.5
151.03841	1.7
151.07565	3.8
151.11191	18.1
155.97359	2.2
161.09599	13.3
167.10689	22.2
169.08603	1.4
169.10181	1.2
173.98517	3.8
179.10667	33.7
197.07190	2.0
197.09879	2.0
197.11728	34.8
197.13445	2.6
198.18564	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	197.1172
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
51.03092	1.4
53.03936	4.1
55.01852	3.5
55.05502	4.5
56.04603	1.5
56.96563	2.1
57.07066	2.1
59.05003	3.0
65.03938	2.6
67.05509	10.3
68.99784	9.6
69.03444	2.5
69.07065	2.6
69.76925	8.2
70.95850	5.3
71.05004	2.1
72.93794	3.7
73.02927	1.8
73.19312	1.3
78.53403	1.3
79.05490	11.8
79.22614	1.3
80.51073	1.4
81.07056	11.2
83.04974	2.5
85.06530	3.2
91.05475	38.4
91.08584	1.5
93.07042	31.6
95.04967	19.9
95.08578	3.2
98.21394	1.9
98.97589	3.3
99.04450	2.1
105.03381	2.0
105.07022	40.0
107.04940	3.2
107.08591	84.3
109.06523	21.1
109.10162	7.7
111.08070	7.1
111.98480	3.2
113.06020	13.9
113.08244	2.0
115.05447	1.9
116.98605	1.6
117.07005	2.6
119.04943	19.8
119.05859	2.1
119.06072	1.8
119.08543	11.0
121.06518	7.5
121.10097	1.9
123.04417	20.0
123.08050	4.8
123.11709	4.3
125.06017	2.0
129.99518	3.1
132.95844	4.6
133.06477	3.7
133.10124	87.6
135.08032	3.1
135.11685	55.1
136.05145	2.4
137.05989	8.8
137.09601	6.2
139.03966	2.0
140.04680	6.8
143.08510	2.4
146.07256	2.7
147.04408	15.3
149.31726	1.5
150.96852	10.5
151.03931	11.9
151.07549	27.9
151.11188	5.3
155.07050	4.5
155.09276	3.4
155.97441	2.5
161.05949	8.6
161.09622	43.0
164.04672	4.9
167.03406	4.0
173.98424	7.0
179.07062	45.8
179.10649	100.0
182.05647	1.9
197.06163	2.2
197.08058	19.1
197.11743	51.8
198.18495	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
62.33492	0.4
67.05499	0.5
70.75087	0.8
70.75453	0.8
70.95868	1.5
72.93788	0.9
78.03417	0.4
78.06417	0.4
79.05486	0.7
80.05019	0.6
81.07057	0.5
88.96914	0.5
91.05474	0.8
93.07056	0.4
94.06591	1.3
95.04955	0.8
104.92020	0.4
105.07035	0.9
107.08600	1.7
109.06503	0.9
110.06042	1.8
111.98507	1.1
113.08270	1.7
119.05215	0.9
119.06066	17.3
120.06450	0.4
121.07624	1.3
122.06004	0.6
123.08071	0.5
128.71826	0.5
129.99529	0.8
132.95853	1.6
133.10123	1.4
135.11761	0.5
137.05986	1.1
137.07091	1.1
137.08139	0.6
138.05501	1.6
138.07903	0.7
147.05524	3.2
148.03926	0.9
148.06313	21.1
149.04736	3.6
149.07103	100.0
150.05484	0.7
150.07410	1.0
150.96884	4.4
151.03868	1.1
155.09296	1.0
155.97417	0.7
161.09627	0.6
165.06604	36.7
166.07393	10.5
173.98494	2.7
179.10710	1.3
197.09207	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
51.02387	0.8
53.03944	1.4
55.01852	1.4
55.05505	2.2
56.96576	1.6
57.07061	2.2
57.37893	0.5
59.05001	1.3
59.19297	0.6
65.03931	2.0
67.05497	4.8
68.99783	1.8
69.03425	1.5
69.07056	2.3
69.20883	0.5
69.43993	5.2
70.95863	9.7
71.04988	1.5
71.06123	0.6
72.84290	0.6
72.93793	8.1
73.02918	0.8
73.31915	0.6
79.05492	6.6
81.03435	0.7
81.07058	5.3
83.04986	1.4
83.06110	0.8
85.06522	0.7
87.04504	0.6
88.96905	2.9
90.94821	2.3
91.05479	19.2
93.07042	8.9
94.04198	1.0
94.06527	0.7
95.04964	5.0
95.06071	1.0
95.08623	3.4
96.05615	0.7
97.02908	1.0
97.06504	1.0
98.20754	1.3
98.97572	0.8
99.04460	0.9
105.03403	1.5
105.07033	23.6
107.04971	2.0
107.08595	100.0
109.02866	0.6
109.06512	11.9
109.10149	6.3
110.65204	0.6
111.08073	0.7
111.98469	7.7
113.06033	0.8
113.08252	5.3
113.96415	1.1
117.07053	0.7
118.07743	0.6
119.04955	1.8
119.06068	6.5
119.08589	5.6
121.06509	3.5
121.10145	1.3
122.03667	0.9
123.04438	1.4
123.08058	1.8
123.11722	1.9
124.05227	1.4
125.06020	1.5
125.09560	0.8
127.03931	1.7
129.99492	6.7
131.08589	1.8
131.97467	1.5
132.95831	8.1
133.02859	2.5
133.06488	0.9
133.10130	59.7
135.04425	1.5
135.08121	0.7
135.11673	11.6
137.05989	8.4
137.06973	1.2
137.08252	1.1
137.09593	4.5
138.06674	1.1
139.07562	1.4
140.04688	1.3
141.05466	0.6
143.08553	1.2
146.07291	1.5
147.05521	1.4
148.06305	4.9
149.04700	0.6
149.06067	0.6
149.07095	26.7
150.96886	32.5
151.03908	5.2
151.07532	4.9
151.11214	3.9
154.06348	0.7
155.07083	1.3
155.09296	1.7
155.97406	7.4
161.09601	16.2
163.03912	0.9
165.05437	2.4
165.06631	7.9
166.07410	2.7
167.10570	0.6
168.97972	2.3
169.10135	0.8
173.98489	16.9
179.07127	2.9
179.10663	22.4
197.00145	1.2
197.06111	1.5
197.09259	6.4
197.11752	29.8
198.18530	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01871	2.5
55.05505	2.2
56.05029	1.9
56.96294	1.2
56.96564	18.2
57.03415	1.8
57.07069	0.6
58.06590	0.9
59.04998	2.7
61.02926	6.5
61.33218	0.6
65.03935	6.7
65.52962	0.7
67.04240	1.9
67.05479	1.7
68.05028	3.2
68.05344	0.7
68.27871	0.7
69.03429	3.6
69.07052	0.9
69.98567	0.6
70.06577	1.6
70.95853	3.0
71.04994	0.9
71.58015	1.2
72.93784	2.6
73.02916	1.2
74.97636	0.7
78.03454	2.5
79.04255	0.8
79.05491	2.9
80.05019	7.6
81.03408	2.2
81.07051	1.6
82.06582	10.5
83.04976	1.1
84.04504	1.2
85.02894	3.4
90.94797	0.9
91.05499	3.9
92.05003	8.2
93.07040	2.6
94.06572	1.1
95.01265	0.7
95.04966	1.7
95.06087	14.0
95.08601	1.4
96.04461	1.4
96.05618	0.8
96.06904	0.6
97.02891	3.6
97.07645	1.2
98.06058	1.5
98.97603	4.5
103.05428	1.1
105.03387	0.8
105.07013	2.2
106.06567	6.0
107.04970	5.0
107.06054	3.6
107.08561	1.7
108.04497	0.7
108.08099	1.1
109.02911	1.2
109.06507	2.3
109.07638	2.7
110.06039	34.2
110.97556	1.3
111.04401	1.1
111.82349	0.7
111.98481	3.3
113.08250	4.8
116.98621	3.9
117.07069	0.9
119.01931	4.8
119.04945	2.6
119.06045	4.7
120.01982	1.0
120.06858	0.9
121.06494	4.4
121.07612	12.3
122.06049	1.1
122.08394	10.3
123.04395	1.4
123.05539	6.7
123.09189	29.4
124.06343	7.2
125.06145	1.1
125.07096	6.3
127.05045	1.0
128.98590	3.5
129.99463	1.2
131.01878	2.0
132.05104	0.8
132.95836	3.3
133.07607	34.8
133.10114	2.2
134.05998	3.1
134.06885	1.5
134.09625	1.2
134.99675	4.1
135.04427	1.2
135.11681	2.0
136.07591	3.5
137.02934	2.2
137.05972	6.7
137.07072	36.4
137.08057	1.4
138.06648	0.7
141.06558	4.8
146.99640	4.6
147.04408	0.8
148.05205	0.8
148.06317	2.4
149.01199	2.8
149.05956	3.4
149.07094	12.6
150.07875	1.2
150.96892	10.4
151.03964	3.2
151.08658	61.4
152.07056	3.8
152.08972	1.2
153.01836	1.9
153.06580	5.8
154.06262	1.0
155.09271	3.0
155.97417	2.6
156.98071	1.0
158.99515	0.8
161.02943	2.9
161.07115	16.3
161.09523	0.8
162.05406	0.8
162.09114	1.8
163.02686	1.6
163.03946	0.8
165.00775	0.9
167.02315	0.8
167.08142	3.2
168.97929	0.8
169.09694	3.2
173.98476	6.1
174.00774	1.7
174.06085	2.6
174.99176	5.2
179.08147	100.0
180.06377	3.5
180.08725	1.0
180.10164	2.5
189.04204	0.9
191.02187	1.5
192.07269	1.3
193.00211	13.3
196.91766	1.4
197.04498	4.2
197.09207	99.8
197.12907	2.0
198.09500	2.1
198.11316	1.0
198.18495	2.6
211.01193	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33211	0.6
53.03936	1.2
55.01858	2.5
55.05504	1.8
56.05035	1.1
56.96298	1.2
56.96567	21.6
57.03419	2.3
57.07074	1.2
59.04987	2.3
61.02933	6.4
65.03941	5.1
67.04245	0.9
67.05491	1.5
68.05016	2.1
69.03410	3.4
70.06588	1.6
70.95863	5.3
71.04986	0.9
71.06108	1.1
71.32822	1.6
71.95250	1.3
72.04544	0.7
72.93775	2.9
73.02897	2.2
74.14532	0.7
75.04472	0.7
78.03450	2.1
79.05488	3.3
80.05009	7.0
81.03438	1.6
81.05791	1.3
81.07053	0.7
82.06590	10.4
83.04958	0.9
83.06099	1.0
84.04471	1.4
84.96024	1.2
85.02877	2.9
85.06508	1.0
87.04463	1.5
88.96891	1.8
91.05486	4.1
91.05976	0.7
92.05009	7.3
93.07034	2.8
94.02919	0.9
94.06562	1.3
95.04944	2.3
95.06087	11.8
95.08592	1.1
96.04458	0.9
96.05584	0.9
96.08102	1.6
97.02882	5.8
97.07627	1.8
98.06082	0.9
98.97577	4.7
99.04462	0.9
103.05426	1.4
105.03412	1.2
105.07016	2.6
106.06559	5.9
106.07213	1.3
107.04951	5.2
107.06080	3.4
107.08565	2.3
108.04498	1.2
108.06889	0.8
108.08116	1.0
109.06487	3.1
109.07636	3.0
110.06044	31.1
110.97536	1.6
111.98454	3.1
112.07496	1.1
113.08270	5.4
116.98623	4.7
117.07032	0.9
119.01910	4.4
119.04879	1.1
119.06052	3.5
120.08166	0.9
121.06487	3.8
121.07611	11.3
122.08411	8.1
123.04459	1.9
123.05542	5.6
123.09190	26.6
124.06322	6.7
124.07573	1.4
125.06010	0.8
125.07106	5.8
127.05065	1.0
128.98602	3.2
129.99509	2.1
131.00182	0.9
132.95836	4.5
133.07610	32.4
133.08606	1.8
133.10124	2.7
134.05992	2.5
134.06845	1.9
134.99644	4.2
135.04408	1.4
135.05513	0.9
135.11678	2.2
136.07559	4.1
137.02968	1.5
137.05968	8.0
137.07085	31.0
137.08147	2.3
138.06685	0.9
138.07986	1.0
141.06566	4.3
143.01895	1.3
146.99612	4.7
148.02762	0.8
148.06317	2.6
149.01215	4.7
149.05962	2.4
149.07080	12.1
150.07922	1.6
150.09071	1.5
150.96883	13.8
151.03902	3.2
151.08661	55.9
152.07066	5.2
153.00706	0.8
153.01822	2.9
153.05507	1.0
153.06587	5.9
154.06184	1.4
154.07326	1.3
154.08562	0.7
154.90721	2.5
155.08133	0.8
155.09248	3.4
155.97433	3.2
161.01231	1.2
161.03035	1.9
161.05803	1.0
161.07106	14.4
161.09645	1.7
162.06419	0.9
162.09135	2.9
165.00691	1.7
167.02254	1.6
167.08167	2.9
168.97853	0.9
169.09723	3.0
173.02475	1.3
173.98518	6.4
174.00757	2.4
174.06064	1.9
174.99121	4.8
179.08150	94.5
179.10707	2.6
180.06560	2.5
180.08681	1.3
180.10161	1.5
186.99117	0.9
193.00208	11.8
196.91771	1.6
197.04524	4.5
197.09203	100.0
197.12971	2.3
198.09532	2.2
198.18512	1.4
211.01234	1.7
212.95238	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03150	0.3
53.03934	0.6
55.01873	2.2
55.05481	0.7
56.96556	0.4
57.07067	0.4
65.03939	2.2
67.05502	2.5
68.40083	0.2
69.07069	0.5
70.73844	0.3
70.74173	0.6
70.95868	1.5
71.12138	0.2
72.93782	1.4
73.02914	17.0
79.05481	0.6
81.03389	0.4
81.04546	0.3
81.07040	0.7
83.08625	0.3
84.04507	0.3
85.02892	0.5
88.96899	1.0
90.94810	0.3
91.03940	0.5
91.05474	4.2
92.33090	0.3
93.03391	0.7
93.07046	0.6
95.01317	0.4
95.04965	2.1
95.08611	0.6
96.05619	0.4
105.03383	0.3
105.07020	0.9
107.04924	0.4
107.08588	1.5
108.02087	2.8
109.02883	0.6
109.06500	0.8
109.10146	0.6
110.03648	2.7
111.04446	2.8
111.98456	1.5
112.01603	0.4
113.08266	1.2
116.98588	0.4
117.03426	0.3
117.07027	0.3
119.04951	1.8
119.08582	0.4
123.04453	0.6
123.08099	0.4
125.05988	11.9
129.99463	1.5
132.95819	2.2
133.06503	0.4
133.10118	1.2
135.11661	0.7
136.01540	0.8
137.06017	1.5
137.08192	0.5
141.05470	4.9
149.05972	2.9
150.96889	6.8
151.03900	100.0
151.04990	7.8
151.07430	3.9
152.04233	1.4
155.09267	1.1
155.97441	1.6
161.09607	0.5
168.97939	0.6
173.98483	3.4
179.07016	14.1
179.10474	1.4
197.06126	0.6
197.08075	3.0
197.09853	0.5
197.11778	1.1
198.18571	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0808
Annotation	1135-23-5
Peak:m/z	Relative Intensity
51.15439	1.2
53.03940	2.6
55.01859	4.0
55.05497	4.8
55.44707	1.2
56.96560	7.1
57.03419	2.0
57.07065	4.1
59.05011	1.6
59.06104	1.5
63.86301	1.1
65.03929	9.0
66.04674	1.3
67.05510	9.1
68.99789	4.5
69.03445	7.6
69.07042	5.8
70.95863	11.7
71.04975	3.8
71.06117	1.5
71.58051	1.5
72.93787	9.7
73.02908	4.8
79.05483	12.2
80.06268	3.4
81.03403	1.9
81.07064	12.7
83.04964	2.7
83.08601	2.1
85.02888	2.8
85.06541	3.0
85.10184	2.0
85.21474	1.1
85.49029	1.3
88.96871	5.0
90.94820	2.1
91.05479	81.1
92.05811	1.3
93.07024	12.0
94.04208	2.2
95.04959	20.6
95.08602	6.9
96.05600	2.1
97.02884	4.1
97.06522	2.2
98.97552	5.0
99.04436	2.7
101.49097	1.4
103.05453	2.6
105.03384	3.6
105.07027	14.1
107.04944	5.5
107.08590	24.8
108.05721	4.5
109.02834	1.4
109.06523	22.1
109.10153	6.6
110.03670	2.1
111.04437	2.5
111.08070	8.2
111.98479	9.8
113.05996	10.4
113.08243	11.2
116.98624	4.9
118.04156	3.4
119.04939	100.0
119.08587	8.2
120.05301	2.8
121.02856	1.8
121.06473	3.5
121.10136	1.6
122.03611	1.2
123.04426	17.2
123.08037	3.6
123.11658	1.8
125.02254	1.2
125.05962	6.7
125.09689	1.6
128.98589	1.5
129.99501	9.5
131.08559	2.9
131.97453	2.4
132.95815	11.8
133.02843	2.5
133.06483	2.5
133.10129	25.9
134.99632	4.7
135.04465	1.9
135.11681	14.4
136.05243	7.5
137.05974	25.0
137.07039	1.5
137.08176	3.8
137.09613	5.5
138.06616	3.7
139.03867	3.8
140.04691	27.0
141.05399	5.2
141.06990	1.7
147.04404	75.7
149.02350	5.1
149.07111	4.2
149.09537	1.4
150.96892	44.0
151.02719	2.2
151.03903	26.0
151.05000	2.5
151.07547	23.9
151.11165	4.4
153.09061	3.8
154.06194	2.5
155.03317	1.4
155.07056	24.3
155.09323	6.2
155.97438	9.8
161.05962	4.4
161.09621	12.2
164.04674	20.8
165.05447	5.5
166.07475	1.5
167.03389	21.9
167.07002	4.3
167.08296	1.3
168.97942	3.6
169.08658	2.1
173.98502	22.7
177.00687	1.6
179.07036	100.0
179.10626	26.2
180.07407	1.4
182.05739	11.3
197.06279	2.6
197.08067	77.2
197.11723	14.0
197.13312	2.2
197.17311	1.9
198.18593	8.7
205.19861	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0807
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.03943	0.7
55.01868	2.8
55.05508	1.3
65.03942	3.1
67.05497	3.4
69.03423	1.1
69.07055	1.0
69.28027	3.5
69.28455	2.8
70.95856	2.3
71.04998	1.1
72.93787	2.1
73.02917	20.2
79.05499	3.9
81.07059	3.8
83.04979	0.9
83.08580	0.6
86.06017	0.6
86.23528	0.6
88.96918	1.0
91.03972	0.8
91.05479	8.3
93.07047	2.0
94.04182	1.1
94.06545	0.6
95.04972	4.9
95.06090	0.6
95.08607	1.6
97.06555	0.7
99.04488	0.9
105.03397	1.6
105.07019	1.5
107.04939	0.8
107.08595	2.7
108.02094	2.4
109.02831	1.5
109.06521	6.5
109.10171	1.0
109.29347	0.5
110.03667	3.5
111.04443	3.0
111.98460	3.2
113.06000	0.7
113.08252	5.9
119.04984	2.8
119.06052	2.7
122.03630	0.7
123.04443	1.0
125.05991	15.1
129.99527	2.1
132.95801	2.9
133.02840	4.4
133.10123	2.2
135.11726	1.2
137.05983	12.6
137.07056	0.5
137.08223	1.8
137.09618	0.9
138.06659	0.9
141.05460	6.2
147.05519	0.6
148.06282	2.7
149.04814	1.3
149.05989	2.5
149.07112	12.5
150.96898	9.9
151.03908	100.0
151.05002	7.8
151.07471	4.4
151.11139	0.9
152.04218	1.1
155.09286	2.2
155.10501	0.5
155.97437	2.3
161.09578	1.2
165.05452	2.7
165.06647	4.6
165.93692	0.6
166.07445	0.8
173.98486	5.5
179.05475	0.8
179.07037	17.0
179.10677	2.0
192.85313	0.6
197.07776	4.0
197.09581	0.7
197.11792	1.0
197.15373	0.5
198.18550	1.4
209.79753	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0808
Annotation	3,5-dimethylorsellinic acid
Peak:m/z	Relative Intensity
53.03943	4.5
54.86084	0.4
55.01867	1.2
55.05500	1.0
57.03436	1.0
57.07074	2.7
59.04993	0.4
60.08133	0.5
65.03926	0.8
67.05500	7.5
68.99432	0.7
68.99790	10.3
69.03428	0.8
69.07071	2.1
69.60821	1.1
69.61241	1.9
70.95859	1.4
71.04993	6.7
71.08627	1.0
72.93777	0.5
77.08205	0.4
79.05489	2.1
81.03433	0.6
81.07043	3.0
83.04979	1.5
83.08624	1.2
85.02869	0.5
85.06538	8.5
86.32013	0.5
91.05479	3.4
93.07042	3.3
95.04965	20.5
95.08608	2.1
95.09164	0.4
98.20779	0.8
103.05460	1.1
105.03423	0.6
105.07032	6.8
107.04923	0.6
107.08604	1.4
107.98474	0.4
109.06516	24.9
109.10175	1.2
111.04446	2.6
111.08080	15.7
111.98478	0.9
113.06001	63.1
114.06339	0.9
115.05458	3.7
116.49102	0.4
119.04992	0.5
123.04425	49.0
123.08073	2.3
126.03117	0.8
127.03928	3.2
129.99525	1.2
132.95821	1.5
133.06497	6.9
133.10138	1.2
135.11656	1.0
136.05217	0.7
137.06001	5.1
139.03897	2.4
143.04895	0.9
150.96878	4.7
151.07539	61.1
152.07903	1.3
155.07045	5.9
155.08308	0.8
155.97440	0.8
161.05978	29.9
162.06319	0.8
163.03915	0.7
164.04678	5.2
167.08488	0.5
169.52138	0.5
173.98508	2.0
175.01608	0.4
179.07028	100.0
180.07394	2.5
182.10977	0.5
187.91452	0.4
197.00107	0.4
197.08084	19.3
197.11691	0.8
197.13322	0.5
198.18553	2.3
212.39005	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0806
Annotation	3,5-dimethylorsellinic acid
Peak:m/z	Relative Intensity
50.74242	0.7
53.03939	2.7
55.01865	2.3
55.05507	3.3
55.69669	0.7
57.03433	1.0
57.07067	2.3
67.05508	9.0
68.99790	21.0
69.03426	1.7
69.07056	2.0
69.57211	3.9
69.57617	0.9
70.95857	4.3
71.05000	3.5
72.93801	1.7
79.05500	5.0
81.03397	1.1
81.07049	8.7
83.04961	1.3
83.08612	1.7
83.50741	0.6
85.02884	0.8
85.06535	5.2
85.31115	0.7
88.96924	1.0
91.05470	4.1
93.07055	6.4
95.04967	23.0
95.08604	7.2
97.02882	0.7
97.06481	0.7
98.20634	0.7
100.92664	0.6
105.03358	0.9
105.07034	8.4
107.04948	1.8
107.08585	4.5
107.31399	0.7
109.06516	41.5
109.10139	2.1
110.00913	0.7
110.06863	0.8
111.00825	0.7
111.04437	2.3
111.08078	22.0
111.98471	1.6
113.06006	29.8
114.06364	0.8
115.05463	2.0
117.11147	0.7
119.04949	1.2
119.08548	1.1
121.06509	0.6
123.04430	35.8
123.08066	7.1
124.04739	0.6
127.03923	1.8
127.07619	1.1
129.99501	1.8
132.95830	2.8
133.02800	0.9
133.06512	7.3
133.10117	3.5
135.11685	2.4
136.05197	1.7
137.05981	10.4
138.06677	0.8
139.03888	2.0
141.05463	0.8
141.06996	1.2
150.96889	10.9
151.07541	81.3
152.07874	1.6
154.06238	1.1
154.07758	1.0
155.07062	3.5
155.08510	1.5
155.97411	2.8
161.05974	19.9
161.09673	2.1
164.04648	3.1
165.05467	0.9
167.08517	1.6
168.97989	1.2
169.08670	1.0
169.10146	1.9
173.98518	7.3
179.07034	100.0
180.07352	2.3
182.10909	2.6
197.00099	0.7
197.06221	1.4
197.08073	18.3
197.09578	1.7
197.11595	1.3
197.13280	2.4
198.18492	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0809
Annotation	3,5-dimethylorsellinic acid
Peak:m/z	Relative Intensity
51.71609	0.8
52.07248	1.0
53.03931	3.8
55.01876	1.2
55.05502	2.8
57.03411	2.4
57.07064	2.6
65.03950	1.4
67.05503	9.5
68.99789	16.3
69.03420	1.5
69.07058	1.9
70.23914	5.0
70.95844	1.7
71.04995	6.5
72.93806	1.3
79.05471	4.1
81.03431	1.3
81.07063	5.8
83.04964	1.8
83.08603	1.2
85.06539	4.7
91.05460	4.6
93.07026	3.6
95.04964	21.0
95.08591	4.6
105.07039	8.7
107.08569	3.6
109.05788	2.0
109.06514	31.1
109.10128	1.6
110.03648	1.0
110.44081	1.0
111.04459	2.4
111.08079	16.8
111.98467	2.2
113.06005	35.0
115.05463	2.1
118.00465	0.9
121.91618	1.0
123.04427	75.7
123.08044	4.8
124.04713	1.3
127.03903	3.3
129.99467	1.2
132.95796	2.2
133.06453	5.3
133.10104	2.0
135.11671	2.1
137.05984	7.8
139.03902	12.6
145.66734	1.1
150.96863	4.5
151.03893	3.0
151.07541	64.1
155.03377	8.7
155.07001	3.2
155.08444	1.2
155.97409	1.3
161.05978	17.8
161.09601	1.8
164.04626	3.3
173.98491	2.8
179.07030	100.0
179.10510	3.4
180.07320	2.0
182.10709	1.0
197.08076	38.2
197.11655	2.0
197.13242	1.8
198.18559	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0808
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.03943	5.1
55.01857	1.6
55.05507	3.8
57.03439	5.1
61.74977	0.8
65.03960	0.8
65.12473	1.0
67.05503	7.6
68.99779	6.8
69.03419	2.2
69.07067	1.8
70.83221	1.9
70.95856	4.0
71.04991	18.0
72.93768	2.6
79.05478	2.4
81.03400	2.1
81.07047	4.2
83.04977	2.4
85.06538	6.1
91.05475	4.1
93.07026	3.3
95.04961	16.4
95.08617	2.5
105.07041	7.7
107.08573	7.9
109.02876	1.5
109.06522	7.9
109.10115	2.1
111.04420	3.2
111.08063	4.4
111.98454	3.9
113.06001	36.2
115.05440	1.1
119.04942	1.2
121.10152	1.0
123.04423	100.0
123.08022	1.2
125.05958	0.8
127.03907	7.6
129.99489	2.3
132.95813	3.8
133.06485	4.7
133.10136	7.4
135.11658	4.6
137.05974	2.5
139.03894	51.5
141.05435	1.1
141.06984	1.0
147.22783	0.8
150.03127	3.1
150.96892	14.6
151.03914	7.4
151.07533	27.2
153.01802	3.2
153.05450	4.4
153.06924	0.8
155.03384	46.0
155.06989	3.0
155.97400	4.4
161.05972	5.1
161.09607	2.5
169.08699	1.3
169.10205	1.2
173.98483	8.3
179.07024	83.7
179.10489	6.9
180.07440	1.4
197.08084	98.3
197.11667	5.1
198.08406	2.5
198.18555	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0808
Annotation	1135-23-5
Peak:m/z	Relative Intensity
53.03944	5.2
55.01860	5.6
55.05507	6.9
57.03429	2.8
57.07067	6.0
59.00707	1.7
62.34663	1.7
62.56865	2.2
65.03937	2.2
67.05511	13.2
68.99791	11.2
69.03410	3.6
69.07059	10.8
69.50841	18.1
70.95862	8.4
71.04990	7.5
72.93788	6.8
73.02918	2.4
76.37181	1.9
79.05482	10.0
81.03386	3.0
81.07053	19.0
83.04980	5.5
83.08618	2.0
85.06533	13.6
88.88155	2.1
88.96891	3.7
91.05482	14.7
93.07044	19.9
95.04969	28.3
95.08612	18.5
97.02922	2.8
97.06508	4.9
98.20765	4.2
99.04456	3.6
99.70127	1.9
105.03402	3.6
105.07008	25.0
107.08589	46.1
109.06519	35.2
109.10151	6.4
111.04456	6.0
111.08070	17.2
111.98475	8.0
113.06005	69.0
113.08260	8.3
115.05448	5.8
119.04949	2.6
119.08569	8.1
121.06509	2.8
121.10194	4.9
123.04420	45.6
123.08079	5.9
123.11704	3.6
125.09632	2.3
127.03988	2.9
129.99524	8.3
132.95845	8.3
133.02856	3.1
133.06514	7.1
133.09142	2.2
133.10126	36.2
135.11684	12.2
137.05966	14.1
137.09596	5.6
138.06729	4.4
139.03940	3.7
139.07559	2.7
141.07021	4.7
149.07043	2.5
150.96893	38.3
151.03915	6.8
151.07547	64.7
151.11134	9.4
153.07045	3.3
154.06261	4.9
154.07750	2.0
155.07045	6.5
155.09363	4.5
155.97441	8.3
161.05978	24.2
161.09676	11.9
164.04729	6.0
165.05469	2.3
167.08505	3.3
167.10704	7.2
168.97966	3.1
169.08650	4.2
169.10190	6.2
173.98494	19.0
179.07043	100.0
179.10605	23.5
182.10962	2.0
197.06200	4.2
197.08087	21.7
197.09639	5.2
197.11729	21.6
197.13351	4.6
198.18556	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	197.0809
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.03938	0.8
55.01867	2.5
55.05509	0.5
55.93523	0.4
56.05037	0.6
56.96574	1.4
57.03437	0.4
57.07070	0.7
65.03941	2.4
67.05513	2.9
68.05050	0.3
68.99797	0.4
69.03411	0.4
69.07055	0.6
70.06580	0.5
70.95860	2.9
71.01342	0.5
71.04997	0.5
71.06100	0.5
71.26907	0.6
72.08145	0.3
72.93786	2.4
73.02917	17.9
79.05489	0.7
81.03407	0.6
81.04549	0.3
81.07045	0.9
83.08650	0.4
85.02903	0.6
85.39771	0.3
88.96905	1.4
89.03930	0.3
90.94846	0.8
91.03951	0.6
91.05474	3.9
93.03416	0.4
93.07053	0.9
95.01302	0.4
95.04973	2.8
95.06081	0.8
95.08586	0.9
96.05614	0.6
97.02886	0.5
98.97561	0.4
99.05554	0.4
104.05101	0.3
105.03401	0.7
105.07013	1.5
107.04972	0.4
107.08588	2.6
108.02087	3.0
109.02864	1.5
109.06533	0.9
109.07679	0.4
109.10207	0.5
110.03658	2.5
110.06030	0.5
111.04446	3.2
111.98468	2.4
112.01604	0.4
113.08254	5.1
116.98604	0.6
117.03339	0.6
118.43577	0.3
119.01955	0.3
119.04961	2.1
119.06031	1.5
119.08584	0.5
121.04002	0.3
121.06471	0.4
122.07138	0.4
123.04446	1.0
123.08091	0.5
125.05991	12.1
127.03969	0.4
129.99519	2.3
131.01926	0.3
131.96378	0.3
131.97432	0.4
132.95834	2.9
133.02795	0.4
133.10129	2.4
134.99605	0.4
135.03117	0.3
135.11693	1.3
136.01611	0.7
137.05968	2.3
137.06880	0.4
137.08214	1.8
137.09608	0.3
138.05544	0.4
138.06642	0.7
139.03967	0.4
141.05476	5.7
141.06628	0.3
147.04407	0.5
148.06314	1.9
149.05983	2.7
149.07120	8.8
150.96899	11.0
151.03908	100.0
151.05006	8.8
151.07408	3.4
152.04216	1.8
152.07048	0.3
153.05385	0.3
155.03355	0.3
155.09325	2.7
155.97423	2.6
161.04233	0.5
161.09628	0.6
162.05493	0.4
165.06606	3.1
166.07379	1.1
168.97903	0.6
169.08734	0.3
173.98488	4.7
174.00789	0.6
179.05457	1.0
179.07018	16.2
179.09328	0.8
179.10587	2.6
180.06442	0.3
197.00165	0.5
197.04486	0.5
197.06143	1.1
197.08070	2.0
197.09409	1.3
197.11862	1.5
197.13495	0.4
198.18535	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.0
55.05511	0.8
56.05031	3.7
56.96567	20.2
57.07072	1.2
59.97070	0.8
68.05025	1.4
69.03419	2.3
69.07050	1.8
70.06578	3.0
71.06109	1.5
71.56754	1.1
77.00897	2.0
78.38550	0.7
81.07058	0.8
82.99848	0.8
95.01955	1.5
95.04932	1.2
95.06073	1.9
96.05604	2.1
97.02885	3.4
97.06525	1.1
98.97581	5.8
100.02467	1.8
101.00854	4.7
107.08571	1.9
111.98479	1.0
113.08252	13.0
114.03989	2.1
116.98611	8.4
118.00409	1.1
118.03520	2.3
119.01924	47.6
120.01990	2.3
121.01637	1.0
121.03510	1.1
127.00881	1.0
129.03946	0.9
130.03490	3.4
131.01877	2.5
132.05069	36.8
132.95847	1.0
133.03477	1.6
133.05232	1.0
133.10097	1.2
134.02968	1.5
134.99680	17.7
135.11685	0.8
136.00034	0.8
136.04535	2.1
137.02959	33.2
137.08195	3.8
138.03082	1.4
138.06693	1.3
142.03490	2.3
145.03497	4.2
146.01634	1.3
146.99738	2.2
147.03778	9.1
147.04901	1.1
148.01465	1.2
148.02774	1.0
148.04530	2.0
149.01511	0.9
149.02933	1.0
150.06123	40.2
150.96884	3.3
151.06259	1.0
153.00659	4.4
155.06607	1.3
155.09277	6.3
155.97426	1.4
156.00284	2.5
156.03156	0.9
156.05005	5.6
156.50433	1.3
156.97533	1.8
158.03915	3.3
160.04520	2.1
160.99530	2.1
161.09602	1.0
162.99303	1.1
163.04562	2.5
165.04865	8.7
170.00084	2.0
170.02968	0.8
171.04877	0.9
172.04552	0.9
172.95282	1.2
173.02937	4.4
173.04236	5.9
173.07767	2.1
173.98491	2.5
174.02707	2.3
174.06125	100.0
174.48849	0.9
174.98544	3.7
175.04596	1.2
175.06239	3.6
176.04068	1.0
177.00983	3.9
177.99704	1.2
179.00713	1.0
179.09248	2.3
179.10704	2.4
180.05266	1.6
181.74991	0.9
182.99025	2.4
183.49042	1.6
183.75510	0.9
187.04559	2.1
188.03954	1.2
191.03748	1.4
191.05182	2.6
191.99551	8.6
192.07170	41.3
192.49623	1.5
193.07356	1.8
194.49846	1.1
197.00543	2.8
197.04288	1.4
197.07826	7.7
197.10265	1.9
198.07771	0.9
198.18588	1.6
199.00194	0.9
201.00105	3.0
201.50098	0.9
203.50348	1.1
205.00430	2.3
215.01851	4.3
215.05370	2.3
215.07295	1.2
215.09265	1.2
219.01999	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0605
Annotation	6-Hydroxy-3-succinoylpyridine
Peak:m/z	Relative Intensity
53.03944	0.8
55.05501	1.0
56.05008	0.7
56.96567	0.9
65.03939	2.2
67.05484	0.8
69.03444	0.5
69.07059	0.8
69.98536	2.4
70.95858	1.2
72.93787	1.1
79.05479	0.9
80.05014	22.7
81.03421	1.9
81.07065	1.2
82.06596	0.5
84.04478	0.8
84.25256	0.5
87.00829	5.8
88.96867	0.5
90.94816	0.5
91.05489	1.0
92.05006	7.3
95.04965	1.0
95.08599	0.6
104.04985	3.8
105.35019	0.5
107.08559	0.5
108.04475	71.8
108.08132	0.8
109.04825	1.2
110.06039	72.3
111.04435	1.9
111.06370	1.0
111.98467	1.1
113.08226	1.3
118.03667	0.7
119.04925	1.0
123.04417	0.9
125.06004	0.5
129.99481	1.3
132.04445	12.8
132.95860	2.1
136.03935	100.0
136.07501	1.4
137.04263	1.7
137.05994	0.7
145.02840	0.5
146.03178	1.8
149.19766	0.5
149.97238	1.2
150.05418	0.8
150.09052	0.7
150.96875	5.7
151.03926	2.2
154.04993	1.5
154.08662	3.0
155.09274	0.8
155.97427	0.9
160.03931	13.7
173.98471	2.8
178.04977	61.3
179.03510	0.7
179.05359	1.2
179.09258	0.6
196.06006	4.6
196.09630	2.6
196.13380	1.0
196.17059	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56697	5.2
56.96555	21.2
57.03411	5.9
58.99858	15.0
67.05495	13.1
69.03429	10.8
70.06597	7.1
71.30782	5.6
71.56693	6.1
71.57069	6.8
77.00900	12.8
78.23421	6.4
81.03416	8.4
81.07023	6.4
85.02895	14.0
85.38746	4.9
95.04984	6.9
97.02881	5.4
100.02496	29.0
103.02485	5.9
107.05035	7.5
112.67579	4.6
118.02926	5.3
118.03558	56.0
119.01912	47.0
129.03979	7.6
129.05074	8.4
130.03572	5.4
131.01865	33.7
133.03500	10.6
136.04555	26.7
137.02950	14.7
140.23698	5.7
145.03476	88.5
145.04538	8.4
146.99680	9.0
147.05051	11.6
147.06165	12.6
149.02963	7.1
150.05524	8.4
150.97047	6.0
155.01912	14.4
157.03493	6.9
161.02969	7.2
163.04535	100.0
164.04726	7.0
168.05087	71.1
173.02950	45.2
178.04968	6.4
179.03427	9.1
185.02884	7.7
186.06123	58.4
188.06035	6.7
191.03889	38.7
196.04539	12.7
196.06055	17.3
196.09755	6.5
196.16959	6.7
209.05066	14.3
214.05640	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	195.1744
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03937	8.5
55.01875	27.5
55.05264	5.1
55.05513	75.1
56.96565	4.6
57.03422	4.3
57.07057	17.2
59.04989	4.5
65.03931	8.7
67.05507	33.9
68.99784	4.5
69.03446	16.3
69.07066	87.1
71.04982	12.2
71.58360	3.4
71.58823	4.4
78.89958	2.9
79.05490	48.7
81.03405	9.5
81.07055	78.2
82.07436	2.8
83.05006	14.0
83.08614	31.7
84.08155	4.0
85.06542	27.2
85.10166	4.2
89.03927	17.6
91.05486	24.0
93.03419	3.6
93.07048	55.9
95.04986	20.8
95.08605	85.4
97.06519	12.5
97.10165	32.5
99.08094	100.0
103.05458	4.2
105.04510	3.7
105.07006	12.5
106.37898	2.6
107.04954	82.1
107.08595	64.4
109.06522	10.7
109.10157	26.8
111.04435	8.0
111.08084	79.5
111.11720	8.2
113.09647	9.0
116.98635	3.2
117.03375	24.9
117.07034	4.3
119.08594	5.9
121.02903	3.8
121.06504	10.0
121.10144	77.7
123.04472	4.5
123.08134	4.3
123.11696	7.5
124.05191	5.0
125.06005	5.5
125.09621	26.8
131.08540	8.9
133.02881	4.8
134.03574	6.0
135.04425	38.5
135.08073	7.6
135.11694	30.1
137.05977	10.2
137.09579	3.7
137.13255	27.0
139.03900	11.0
139.07532	3.6
139.11211	12.6
145.02852	38.6
145.03900	4.8
148.97406	3.7
149.05975	19.6
149.09631	12.3
149.13234	9.9
149.72400	2.9
151.03877	4.0
151.07597	6.0
153.05469	13.0
159.11739	4.9
162.10114	3.2
163.03914	33.7
163.07664	5.1
165.05634	4.8
165.06998	13.7
167.03484	3.6
167.07048	10.7
167.08582	8.2
172.98772	3.4
177.05487	43.8
177.09109	13.1
177.12842	6.1
177.16386	67.8
179.08600	3.5
180.04164	3.2
180.09317	9.4
181.29648	3.4
195.02943	14.1
195.06624	20.2
195.08238	8.7
195.10149	15.6
195.11740	17.8
195.13838	7.6
195.15758	5.3
195.17416	43.0
195.19093	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	195.1744
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03934	2.6
55.01869	8.5
55.05510	44.3
57.03441	8.3
57.07077	11.6
59.05018	2.7
67.05502	14.7
69.03424	14.7
69.07066	100.0
71.04988	3.8
71.58691	2.7
73.06555	3.7
79.05486	13.9
81.03409	1.6
81.07053	33.9
83.04984	16.5
83.06097	1.4
83.08614	22.5
85.06557	13.1
89.03918	4.2
91.05481	7.5
93.06478	2.0
93.07046	27.6
95.04975	5.0
95.08601	32.5
95.50208	1.2
97.06524	15.8
97.10171	14.4
99.08096	2.0
101.68172	1.5
103.05464	1.6
105.07040	7.9
107.04951	9.0
107.08592	36.6
109.06525	3.2
109.10148	14.4
111.08072	28.4
111.11713	7.2
113.09651	1.4
117.03347	6.6
119.08586	2.4
121.06561	2.7
121.10141	50.6
123.11713	12.9
125.06027	1.7
125.09623	32.0
134.03645	1.8
135.04428	6.5
135.08057	3.0
135.11696	22.7
137.13231	10.1
139.11183	25.8
145.02866	13.1
149.05991	3.9
149.09592	2.0
149.13269	3.6
151.14819	4.4
153.05490	4.1
153.12738	2.5
163.03883	4.7
177.05464	13.1
177.09129	1.8
177.16394	19.9
195.02954	2.9
195.06529	3.8
195.13715	1.7
195.15660	1.6
195.17445	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	195.1743
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
55.01863	10.8
55.05516	55.2
56.79401	3.8
57.03440	4.4
57.03804	4.1
57.07077	10.0
59.05014	5.0
65.03927	4.8
67.05514	33.9
69.03432	24.7
69.07065	90.2
71.04976	14.6
71.58771	5.7
79.05112	4.8
79.05495	44.7
81.03420	7.6
81.07054	72.4
83.04979	8.2
83.08622	37.0
85.06522	15.7
89.03898	11.1
91.05482	23.7
93.07035	63.2
95.04947	9.9
95.08605	89.3
97.06516	12.6
97.10181	22.1
97.80139	3.9
98.06081	5.3
99.08098	68.9
99.91673	4.0
103.05470	4.7
105.03410	3.7
105.07020	16.0
107.04961	37.3
107.08592	79.1
107.65865	3.8
107.95338	3.9
109.10159	27.1
111.04412	7.8
111.08079	41.6
111.11711	8.5
113.09627	11.7
115.05495	4.1
117.03395	15.5
119.08610	9.2
121.02843	6.3
121.06494	10.6
121.10151	100.0
123.08041	5.3
123.11676	12.3
125.06017	7.0
125.09630	60.8
133.10109	6.7
135.04446	9.3
135.08066	10.2
135.11694	55.6
137.09621	6.7
137.13266	28.2
139.03973	3.8
139.07542	6.3
139.11153	8.4
145.02850	27.4
148.97327	4.2
149.05963	15.5
149.09708	8.8
149.13246	14.8
153.05429	13.5
159.11703	4.7
163.03912	15.3
163.07532	4.8
167.07066	10.9
167.08554	4.7
174.61722	3.8
177.05437	27.7
177.09076	5.7
177.12741	11.1
177.16385	79.5
186.44293	4.0
195.02870	9.8
195.06558	8.7
195.10112	11.6
195.13826	10.3
195.17427	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	195.1743
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.00290	1.4
53.03932	2.8
55.01856	4.2
55.05509	36.3
56.96559	2.3
57.03417	4.2
57.06831	1.6
57.07074	21.2
59.04989	3.1
63.02346	1.1
65.03923	5.0
65.04893	1.1
65.31525	1.2
67.05503	30.2
68.99775	1.7
69.03417	4.3
69.07063	58.1
70.06588	2.3
70.51629	2.2
70.52046	3.4
71.04993	11.1
71.08606	2.9
79.05067	2.4
79.05492	25.4
81.03398	1.5
81.07053	72.7
82.06609	1.2
83.04963	2.8
83.08620	15.3
84.08112	2.3
85.02853	1.5
85.06068	1.8
85.06537	23.1
85.10202	1.4
89.03903	3.7
89.06036	1.9
91.05479	14.8
93.07041	48.7
95.04968	6.1
95.06113	1.4
95.08603	100.0
96.08936	1.6
97.06511	4.2
97.07628	2.0
97.10162	22.8
99.08083	14.9
101.42556	1.1
105.07048	6.7
107.04940	5.5
107.08591	66.7
109.02897	1.3
109.06540	2.9
109.10152	37.8
111.04432	2.8
111.08074	7.2
111.11716	9.8
113.09623	3.9
115.11203	1.5
117.03355	5.3
118.16017	1.3
119.08552	2.1
121.02881	4.4
121.06494	3.3
121.10138	75.4
122.10468	1.6
123.11721	16.6
125.06016	1.8
125.09616	5.8
127.03895	1.8
133.02864	2.2
133.06468	1.9
134.06897	1.5
135.04398	4.6
135.07082	2.1
135.08063	2.8
135.11691	27.8
137.09596	3.4
137.10756	1.1
137.13258	12.7
138.06581	2.0
139.03870	3.1
139.07518	1.3
139.11198	7.4
145.02853	6.6
148.97331	3.6
149.02299	2.5
149.05981	5.0
149.09615	1.7
149.10718	1.5
149.13290	5.9
149.97188	2.8
151.14795	4.6
153.01923	2.8
153.05428	4.6
153.12704	3.1
163.03876	3.3
165.07019	1.4
167.03403	2.1
171.02844	1.8
171.98917	1.7
177.05519	6.7
177.09081	1.9
177.12769	1.7
177.16379	56.0
178.16653	1.6
180.71799	1.3
190.98560	1.3
195.02879	69.0
195.06519	6.6
195.08267	1.8
195.10210	1.6
195.13838	1.9
195.15807	2.3
195.17430	29.7
196.03163	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	195.1743
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03928	1.7
55.01873	11.0
55.05511	45.9
56.96561	2.6
57.03441	11.0
57.07072	12.1
59.05000	4.5
65.03948	1.7
65.18855	1.2
67.05493	10.3
67.67088	1.1
68.99793	5.3
69.03431	25.2
69.07067	100.0
70.06598	1.6
70.84035	3.5
71.04997	3.8
71.08617	1.9
73.06547	6.3
79.05482	13.5
81.07056	36.7
83.04977	16.5
83.08618	25.3
85.06555	4.5
85.10183	2.3
89.03938	2.5
89.06078	1.3
91.05481	8.8
93.07040	28.9
95.04967	3.8
95.08604	33.1
97.06532	15.3
97.10168	15.7
103.05483	1.9
105.07040	6.2
106.04187	1.5
107.04952	6.8
107.08587	37.8
109.06526	1.9
109.10166	14.9
109.98951	1.2
111.04458	1.3
111.08076	33.1
111.11733	5.6
117.03402	3.8
119.08563	2.3
121.02821	1.2
121.06509	3.2
121.10142	55.2
123.11724	9.9
125.09627	41.2
125.10550	2.2
127.20216	1.4
131.08560	1.5
133.10115	2.4
135.04434	3.0
135.08089	3.4
135.11687	28.1
137.13257	14.0
139.11171	34.7
139.12206	2.6
142.19600	1.3
145.02844	8.5
148.97333	2.3
149.05962	3.0
149.13269	4.3
151.14804	3.1
153.05522	2.7
153.09146	4.5
153.12714	2.7
163.03928	2.9
165.07010	2.4
167.07013	2.1
177.05479	9.0
177.09084	1.3
177.16374	19.0
179.08539	1.4
195.02980	6.5
195.04579	1.3
195.06523	3.4
195.10132	1.6
195.11728	1.9
195.17438	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	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03942	7.5
55.01863	6.0
55.05511	23.0
56.96561	11.3
57.07071	5.4
65.03944	4.2
67.05508	64.9
69.03403	4.1
69.07069	25.2
69.62681	2.3
71.01353	4.6
71.04987	7.7
71.58199	3.8
72.08150	3.7
79.05493	46.2
81.03422	21.4
81.07059	100.0
81.67283	3.0
83.04994	18.1
83.08623	13.1
85.06523	4.2
89.03930	3.6
89.06046	3.7
91.05476	29.4
93.07048	64.2
95.04964	11.9
95.08610	51.8
97.06538	14.5
105.07036	15.2
107.04922	6.4
107.08605	28.8
109.06512	4.7
109.10147	8.1
111.04436	3.5
111.08086	8.1
117.03379	7.6
117.07034	14.1
118.03620	3.3
119.08577	7.6
121.06489	10.5
121.10127	14.0
123.11763	3.1
131.08604	13.9
133.10141	17.2
135.04381	7.2
135.08063	8.4
135.11690	33.2
137.09676	4.2
137.13293	4.2
137.26750	2.5
139.07539	3.2
139.11172	11.3
145.02876	11.3
148.97362	7.1
149.05997	7.5
149.13232	18.3
149.97176	4.6
151.11162	3.5
152.06238	3.2
153.05496	9.7
159.11703	14.2
163.03958	5.2
167.08508	3.9
171.98978	5.3
177.05441	18.6
177.12759	14.3
177.16405	3.9
181.03400	3.4
195.02927	20.1
195.06549	6.2
195.08153	9.6
195.10135	6.0
195.12115	2.8
195.13849	14.6
195.15616	3.3
195.17419	7.5
196.17030	4.7
199.53972	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	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03940	3.9
55.01869	6.7
55.05512	17.8
56.96554	1.8
57.03426	4.2
57.07067	5.4
65.03934	4.2
67.05503	61.1
68.99789	2.0
69.03423	4.4
69.06713	2.5
69.07073	25.1
71.04998	8.6
71.58621	2.3
77.03905	2.6
77.19888	1.5
79.05495	51.8
81.03413	7.0
81.07057	100.0
82.06607	1.7
82.07393	1.9
83.04986	10.9
83.08617	12.0
84.08131	2.1
85.06554	5.1
89.03906	7.1
91.05485	33.6
93.07042	69.7
94.07344	2.0
95.04971	14.3
95.08606	47.6
97.06538	18.6
97.10184	3.9
98.06068	2.6
99.04475	3.8
99.08113	3.3
103.05504	2.4
105.07021	14.2
107.04947	28.0
107.08595	35.1
109.06548	7.4
109.10165	8.2
111.04431	4.3
111.08071	10.3
111.11736	2.2
113.09647	2.1
116.98548	1.7
117.03385	15.4
117.07027	11.2
119.08569	4.9
121.02857	3.6
121.06480	7.7
121.10137	16.4
123.08077	2.3
123.11703	3.4
124.03963	1.7
125.06006	3.3
125.09634	3.2
127.03894	1.7
131.04959	2.0
131.08557	15.0
133.02835	3.1
133.10141	18.3
134.03645	2.1
135.04428	13.2
135.08067	9.8
135.11693	51.2
137.05948	2.1
137.09595	2.9
137.13181	2.0
138.06653	2.3
139.03903	4.3
139.07561	3.7
139.18338	1.5
145.02859	25.0
149.05992	7.8
149.09625	5.9
149.13258	27.0
149.97194	2.3
151.11180	7.2
153.05472	7.0
153.09093	3.9
158.16794	1.5
159.11693	24.8
163.03903	14.9
165.05608	2.4
165.07054	6.5
167.07042	6.2
167.08583	5.8
177.05472	31.7
177.09038	3.6
177.12758	18.2
177.16406	3.4
179.08508	2.0
180.07892	2.3
180.09428	4.5
181.16325	1.7
195.02901	9.0
195.06599	14.0
195.08249	4.1
195.10220	4.1
195.11728	5.7
195.13809	21.2
195.15497	3.2
195.17500	4.5
196.17024	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
50.05127	2.4
53.03940	4.8
55.01862	8.0
55.05313	2.1
55.05515	25.1
56.96560	12.0
57.03431	4.6
57.07056	6.7
64.46223	2.6
65.03925	3.7
67.05508	77.2
68.05836	2.8
69.03407	5.4
69.07069	25.1
71.01338	2.6
71.04995	6.3
71.58983	3.1
79.05057	4.6
79.05490	55.1
81.03423	14.9
81.07058	100.0
83.04988	29.7
83.08616	7.6
85.06544	4.5
89.03914	4.5
89.06018	2.5
91.05479	38.4
93.06470	5.2
93.07046	80.3
95.04962	13.6
95.08041	4.2
95.08611	44.5
97.06523	24.8
99.08099	3.8
105.07020	18.3
107.04934	11.1
107.08591	34.1
109.06512	10.6
109.10154	4.9
111.08077	8.4
117.03385	7.9
117.07011	18.7
119.08556	3.7
121.06501	10.2
121.10152	15.0
121.14806	2.5
123.08094	3.4
123.11656	3.2
125.09590	3.5
131.08569	18.1
133.10126	19.2
135.08029	8.5
135.11691	31.0
137.09468	2.9
139.03809	2.4
140.67380	2.5
145.02834	10.4
149.06015	4.4
149.13266	17.2
149.97192	5.6
151.07396	2.8
153.05524	7.0
157.10260	2.4
159.11691	16.5
171.98965	3.3
177.05418	15.9
177.09074	2.8
177.12784	11.1
180.09363	4.2
195.02931	8.1
195.06531	4.9
195.08215	6.7
195.10138	3.6
195.11859	4.5
195.13799	21.4
195.15369	3.6
196.16919	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	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03936	6.2
55.01868	6.6
55.05509	21.3
56.96560	7.1
57.03423	9.2
57.07062	6.1
65.03928	3.0
67.05502	71.0
69.03430	3.8
69.07066	17.6
71.04988	7.0
74.40336	1.6
76.88525	1.5
79.05492	55.1
81.03423	16.2
81.07056	100.0
83.04984	31.2
83.08616	9.9
85.02898	1.9
85.06535	3.8
89.03905	2.6
89.06039	1.9
91.05480	36.5
93.07044	70.1
93.07632	4.0
95.04967	14.0
95.08604	40.0
95.09174	3.2
97.06528	17.6
99.08113	2.3
105.07040	18.2
107.04953	5.8
107.08595	30.7
109.06551	8.1
109.10176	6.6
111.04433	2.0
111.08099	7.5
115.05495	1.9
117.03391	6.3
117.07023	14.8
119.08574	5.6
121.06492	10.5
121.10155	12.9
123.08070	3.4
123.11716	1.7
125.09645	2.1
129.06987	2.2
131.08568	17.2
133.10141	19.6
135.04428	2.9
135.08049	8.1
135.11700	30.2
137.09654	1.7
139.07645	2.1
145.02811	9.6
147.11710	2.1
149.05978	3.9
149.09602	5.1
149.13286	15.7
149.97206	5.7
153.05547	2.3
159.11687	17.3
163.03993	2.3
165.06979	3.0
172.98831	1.9
177.05447	10.0
177.12753	13.4
184.09271	1.7
195.02936	5.5
195.06537	4.4
195.08223	2.9
195.11876	3.1
195.13823	20.4
195.15610	2.5
196.16971	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03939	4.7
55.01871	3.4
55.05511	22.0
56.96346	1.4
56.96568	17.0
57.03427	5.7
57.07065	3.4
57.42484	1.7
63.29076	1.6
65.03949	2.5
67.05503	65.5
68.05843	2.1
69.03414	3.0
69.07071	19.9
70.75210	4.6
71.01343	2.3
71.04992	7.6
79.05494	44.9
81.03417	17.1
81.07055	100.0
83.04984	12.2
83.08619	11.2
84.66254	1.5
85.02889	2.0
85.06540	4.0
91.05477	43.1
93.07040	67.1
93.07635	3.3
93.62463	1.4
95.04951	9.5
95.08601	35.3
97.02314	2.3
97.02891	1.6
97.06544	12.0
105.07009	12.0
107.04942	6.2
107.08598	27.8
109.06533	5.2
109.10146	5.6
111.08067	5.6
117.03369	3.0
117.07005	11.9
119.08579	3.4
121.06512	6.3
121.10131	11.1
123.11706	2.8
131.08565	15.5
132.41150	1.6
133.10120	30.8
135.08002	3.6
135.11684	37.4
137.05733	1.4
145.02831	4.5
149.09734	1.6
149.13252	17.8
151.11183	3.3
159.11664	15.4
162.09831	1.9
175.08777	1.9
177.05429	4.5
177.12721	10.4
177.36421	1.6
193.09926	1.9
195.02882	2.6
195.10133	2.0
195.13838	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	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03936	5.0
55.01865	7.4
55.05513	22.7
56.96553	4.0
57.03433	6.8
57.07080	4.7
65.03937	4.2
67.05505	67.2
69.03422	4.5
69.07066	19.1
71.01337	5.9
71.04987	7.0
73.02921	1.6
76.25016	1.9
79.05492	57.7
80.05842	1.8
81.03425	38.1
81.07056	100.0
83.04984	23.9
83.08609	10.4
85.06550	3.8
89.03900	4.2
91.05479	43.5
93.07041	81.3
93.07632	4.0
95.04978	20.0
95.08604	54.0
97.06528	16.8
98.21522	4.2
99.08088	1.9
101.41586	1.5
103.05455	1.7
105.07023	18.4
107.04954	5.3
107.08601	34.8
109.06494	9.5
109.10161	6.6
111.04419	3.1
111.08094	7.7
117.03390	6.8
117.07027	16.7
119.08594	5.6
121.02905	2.3
121.06487	14.0
121.10146	12.4
123.08066	2.9
125.05994	2.1
131.08563	19.2
133.10124	18.9
135.04433	2.4
135.08032	8.8
135.11693	38.3
136.12042	1.5
137.06017	1.7
139.07541	4.2
145.02869	12.9
147.11653	2.2
149.05965	7.4
149.09621	3.6
149.13239	19.6
149.97198	5.6
153.05473	5.0
159.11694	18.9
163.03882	2.2
165.07059	2.5
167.07014	3.6
167.08510	2.3
172.98824	2.0
177.05486	16.7
177.12749	14.9
195.02882	3.3
195.06534	1.8
195.08321	3.0
195.10097	5.8
195.11874	3.4
195.13812	25.5
195.15552	3.2
214.07831	1.6
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	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03934	9.0
55.01873	6.4
55.05516	17.3
56.96557	14.2
57.03420	6.7
57.07063	8.4
60.13318	2.8
65.03920	4.6
65.65818	2.5
67.05172	4.8
67.05503	61.1
69.03414	5.1
69.07063	18.6
69.79131	6.9
69.79544	10.5
71.01392	2.7
71.04987	8.2
74.20099	2.5
79.05064	4.8
79.05492	58.2
81.03405	15.1
81.07060	100.0
83.04977	27.5
83.08612	11.2
83.44226	2.5
84.96012	2.9
85.06547	4.2
89.03930	3.4
89.06022	6.1
91.05479	41.1
93.07047	81.2
95.04963	23.1
95.08605	55.4
97.06519	19.2
105.07052	18.1
107.04924	8.3
107.08592	34.1
109.06506	8.0
109.10164	9.7
111.04424	3.2
111.08058	8.5
114.23066	2.8
117.03370	4.1
117.07006	14.6
119.08582	6.9
121.06522	10.1
121.10142	17.5
125.05941	3.5
131.00142	3.9
131.08548	16.7
131.45444	3.4
133.10127	13.8
135.04410	3.9
135.08076	9.7
135.11676	37.5
145.02858	7.3
148.97363	7.2
149.01196	5.0
149.05988	4.8
149.09613	4.0
149.13234	16.9
149.29985	2.6
149.97221	8.1
153.05516	6.1
159.11694	16.8
167.02296	6.4
167.07079	4.4
172.98904	3.6
177.05492	12.5
177.12749	14.4
195.02869	14.4
195.06523	4.0
195.08141	3.4
195.10089	3.6
195.13843	23.3
195.15553	4.2
196.16943	5.2
196.62712	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	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03946	5.0
55.01871	5.4
55.05511	21.0
56.96561	6.2
57.03434	7.1
57.07073	5.5
65.03938	4.9
66.26914	1.4
67.05505	66.2
69.03443	3.4
69.07075	20.9
70.06589	1.7
71.01358	2.4
71.03807	3.0
71.04984	7.4
71.61128	1.2
73.02923	1.6
79.05493	53.9
81.03424	17.2
81.07058	100.0
83.04983	15.5
83.08619	14.8
85.02900	2.0
85.06549	4.9
87.04465	1.5
89.03920	6.5
89.06043	1.7
91.05481	44.7
93.07047	64.5
95.04967	11.9
95.08610	42.6
97.06523	12.1
97.10190	3.4
99.08114	2.4
100.34551	1.4
103.91605	1.4
104.04908	1.4
105.07034	16.6
107.04969	13.7
107.08598	39.0
109.06525	6.3
109.09418	1.3
109.10172	6.1
111.04461	3.5
111.08099	8.2
117.03394	9.4
117.07007	11.9
119.08617	4.0
121.06516	6.8
121.10143	16.0
123.08035	2.3
125.05984	2.2
125.09671	1.8
131.08563	17.8
133.09175	1.4
133.10129	22.5
135.04417	5.7
135.08080	6.7
135.11694	39.2
137.05994	2.0
137.09657	2.8
138.06604	1.4
139.03917	2.1
139.07547	1.9
139.11183	2.1
145.02850	16.7
148.97339	1.8
149.05954	7.9
149.09616	4.5
149.13271	15.7
149.34802	1.3
149.97260	2.6
151.07457	1.4
151.11150	5.1
152.06169	1.8
153.05469	5.8
153.09109	2.2
159.11731	14.9
163.03920	7.7
163.07655	1.4
165.07057	4.8
167.07097	1.9
167.08517	1.7
171.99112	2.0
172.98798	1.6
177.05486	16.8
177.09070	3.5
177.12752	15.2
177.16293	1.9
178.05881	1.6
180.09384	5.3
183.08192	1.7
195.02940	6.9
195.06511	4.3
195.08318	2.8
195.10246	2.4
195.11778	4.7
195.13829	11.7
195.15715	4.0
195.17380	1.7
196.16969	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	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03935	10.0
55.01861	7.4
55.05515	24.6
56.96567	28.7
57.03431	9.9
57.07066	5.9
61.55449	2.9
65.03929	4.5
67.05505	58.7
67.32324	3.8
68.96313	3.4
69.03412	6.2
69.07055	19.8
69.28803	13.8
69.29235	19.5
70.06607	3.3
70.28088	2.5
71.01354	3.6
71.04993	9.6
71.95234	4.8
72.08155	14.8
78.12447	3.2
79.05068	4.3
79.05495	60.1
79.45241	3.1
81.03420	46.8
81.07056	100.0
83.04980	24.5
83.08617	10.4
84.08140	3.6
85.06529	7.1
89.03943	8.3
89.06048	3.9
91.05483	42.4
93.07040	71.5
95.04971	19.6
95.08614	50.8
97.06548	10.7
103.05451	4.3
105.07036	19.2
107.04966	17.3
107.08598	34.3
109.10166	5.7
111.06418	3.1
111.08096	6.6
117.03405	7.4
117.07010	13.1
119.08624	5.8
121.06488	14.4
121.10144	14.3
123.08083	2.8
128.00015	5.6
131.08563	16.7
133.10153	25.1
135.04393	3.0
135.08041	11.3
135.11699	31.6
137.09735	3.4
139.03883	3.6
145.02823	17.5
148.97366	9.0
149.06012	7.5
149.09621	5.0
149.13264	13.4
149.97189	7.1
153.05498	9.1
159.11723	18.9
163.03905	5.7
165.06946	4.5
167.07092	3.1
167.08556	5.5
171.98976	6.9
172.02773	6.2
172.98859	5.2
177.05469	20.7
177.09109	4.5
177.12752	12.1
181.03421	8.3
181.53316	3.0
195.02911	19.2
195.06563	6.0
195.08116	5.8
195.10129	6.4
195.12225	3.9
195.13797	20.4
195.15565	6.3
196.16946	5.1
213.07928	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	195.1379
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03934	10.7
55.01859	11.3
55.05518	27.7
56.96547	21.1
57.03432	34.8
57.07070	12.2
57.46348	4.5
61.12835	4.6
65.03915	6.2
66.63663	4.6
67.05504	44.0
69.03429	5.3
69.07072	44.3
71.04977	7.3
71.58397	8.6
71.58761	5.4
79.05492	56.8
81.03420	9.0
81.07056	63.6
83.04958	13.8
83.08624	10.8
85.06548	37.0
89.03917	12.9
91.05476	32.2
93.07035	94.5
95.04947	21.0
95.08601	67.5
95.20164	4.8
97.06516	12.4
103.05502	5.2
105.07004	28.0
107.04948	36.5
107.08597	58.6
109.06522	17.3
109.10135	8.5
111.04421	11.8
111.08063	26.3
115.90771	4.6
117.03378	27.6
117.07004	8.6
119.08575	15.1
121.06490	17.5
121.10143	35.6
123.08061	100.0
123.11772	6.2
125.05962	8.1
129.98482	4.6
131.08560	16.4
133.10126	28.4
134.03610	7.3
135.04416	19.2
135.08054	13.6
135.11687	89.8
137.05957	10.1
137.09657	7.5
139.03838	6.8
139.07515	8.2
139.11148	5.8
145.02824	46.6
148.97379	13.0
149.06024	23.4
149.09555	9.6
149.13248	23.3
149.97110	5.3
150.05553	6.0
153.05469	13.8
153.09074	6.4
159.11699	16.5
163.03908	25.4
165.07004	25.9
167.07118	9.1
167.08522	9.7
171.98941	6.1
177.05461	54.3
177.09047	10.9
177.12767	68.2
177.16368	5.6
180.09325	14.7
190.04756	5.9
195.01253	5.0
195.02818	22.4
195.06468	20.4
195.08199	13.1
195.10126	12.2
195.11707	21.2
195.13789	49.9
195.15605	7.3
195.17453	9.1
196.16962	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	195.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.7
53.06892	1.7
55.01869	4.3
55.05521	2.1
56.05032	3.7
56.96567	16.2
57.03432	2.3
58.70877	1.6
59.06125	2.0
61.02909	1.5
65.03937	6.2
67.05505	6.7
69.03423	3.5
69.07086	2.2
70.06593	6.4
70.64263	6.2
73.02937	2.4
74.06075	1.7
77.00891	2.2
78.27069	1.8
79.05495	8.5
80.05028	3.3
81.03435	3.2
81.07053	5.1
82.06607	2.3
84.04498	4.0
84.08138	9.9
85.02917	3.6
86.09708	5.8
89.05998	2.0
91.05470	20.4
93.03423	4.9
93.07059	5.8
94.06538	4.1
95.04957	6.4
95.08630	4.2
97.02901	3.5
98.06055	1.8
98.97584	3.4
100.02485	4.8
103.05463	4.3
105.07040	21.4
106.06512	3.9
107.04953	10.3
107.08621	3.1
108.04505	2.3
108.08160	3.0
109.06506	3.7
111.04427	14.8
115.05457	4.9
116.98637	2.4
117.03345	2.4
117.05736	2.7
118.03512	3.3
118.06527	5.2
119.01920	4.8
119.04942	15.9
120.05709	3.0
120.08150	2.7
121.06497	8.1
121.10104	2.0
122.06113	3.2
122.07133	2.8
122.09646	2.9
123.04350	3.2
123.08086	4.2
124.07544	2.6
125.02608	3.5
125.06001	10.1
129.10246	2.3
130.06519	4.6
131.01901	4.5
131.04951	2.1
132.08090	21.3
133.02812	2.2
133.06487	44.1
133.07458	3.4
134.06018	8.1
134.99704	2.5
135.04376	4.5
136.07578	100.0
137.05983	11.6
138.06738	2.1
139.04033	2.5
145.03444	7.6
146.99678	2.2
148.07553	3.2
149.05966	14.0
149.10747	3.6
150.09126	8.9
151.07544	7.4
152.07056	10.0
152.90701	2.2
153.01849	3.7
153.05478	20.7
154.08543	1.8
160.07584	41.3
161.05974	10.6
163.04469	7.8
168.05130	10.2
172.95222	3.9
177.05505	6.9
177.10260	10.9
178.04987	1.8
178.08630	68.2
179.07021	4.5
181.35689	1.9
186.06076	6.2
190.96317	2.3
191.03998	5.2
191.37718	1.9
195.02893	8.6
195.06512	2.1
195.08604	3.7
195.11302	36.7
196.09741	3.6
214.05550	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	195.1016
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
51.30213	0.4
53.03945	0.8
53.53046	0.3
53.84418	0.4
54.18368	0.5
55.01862	1.2
55.05511	0.7
55.33167	0.4
57.03429	0.5
57.07065	0.7
65.03939	5.7
65.46053	0.4
65.54129	0.4
67.05492	1.3
69.02898	0.4
69.03405	0.6
69.07058	1.3
69.38451	0.4
71.04984	0.4
71.47221	0.9
78.04684	0.5
79.05492	6.1
81.03391	1.0
81.07070	2.0
83.04968	0.6
83.08630	0.7
83.82996	0.4
86.04865	0.4
89.03921	0.9
91.05479	5.6
92.06271	0.7
93.03410	5.3
93.07047	2.0
95.04987	2.6
95.08611	1.0
97.06516	0.4
103.05466	24.8
105.07029	10.5
107.04952	27.8
107.08591	1.8
109.02872	1.5
109.06507	0.8
111.03690	0.8
111.04440	7.1
115.05451	3.8
117.03403	1.2
117.06993	1.5
119.04932	0.5
120.05708	2.8
121.02823	0.5
121.06508	2.3
121.10132	1.1
123.04495	0.5
124.05219	2.4
125.05990	0.7
125.09579	0.6
131.04932	4.5
133.06555	0.9
134.03577	0.5
135.04451	0.9
135.08052	19.4
135.11699	0.7
139.03902	29.9
140.04250	0.5
145.02812	2.0
145.06522	0.7
145.07536	1.0
148.05173	0.8
149.06000	1.0
153.05460	0.5
153.09114	0.6
154.06247	100.0
155.06581	1.2
163.03903	0.9
163.07544	24.0
164.07883	0.7
167.07085	4.0
167.08414	0.6
177.05479	2.2
177.12747	0.6
177.16429	0.7
180.07803	1.2
180.09305	0.6
191.63655	0.5
195.02965	0.7
195.10199	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	195.0652
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03942	1.1
55.01869	2.3
55.05501	2.8
56.96578	4.9
56.96809	0.9
57.03447	1.4
57.07064	1.9
59.05032	0.8
63.02391	0.8
65.03938	2.7
67.05492	2.5
68.96321	1.2
69.03428	2.4
69.07057	2.3
71.05003	1.0
76.69781	0.9
77.03923	0.9
78.04700	1.6
79.05505	6.3
81.03402	1.4
81.04541	1.3
81.07050	4.0
83.04968	1.5
83.06087	1.8
83.08662	1.1
84.08131	2.1
85.02893	2.2
89.03918	32.7
89.06013	1.5
91.05479	7.7
93.03416	2.5
93.07047	6.1
95.04953	4.5
95.06087	2.0
95.08609	2.7
97.02882	1.5
97.06525	1.8
98.97589	1.9
103.05460	3.3
105.03363	2.0
105.07028	3.4
106.04176	2.2
107.04977	8.2
107.08598	5.1
109.03963	1.1
109.06519	2.1
109.07625	0.9
109.10119	1.8
110.06014	1.0
110.07219	1.0
111.04453	7.9
111.05602	1.4
111.09238	0.9
116.98569	1.2
117.03382	58.7
119.04946	2.5
120.05663	1.2
121.02869	2.0
121.06504	4.1
121.10129	2.5
123.04428	1.3
123.08045	1.0
125.05991	6.2
125.09669	1.3
131.04938	1.4
131.08574	1.3
132.08075	1.0
133.02849	2.7
133.06508	1.4
134.03633	11.6
134.99678	1.8
135.04413	17.5
135.05418	1.3
135.08037	2.6
135.11664	1.7
136.03911	1.0
136.07581	1.8
137.05968	1.7
137.08221	0.8
137.09541	1.5
138.06642	2.0
139.03889	2.0
139.07584	0.9
140.08229	1.1
141.78227	1.0
145.02846	100.0
146.03098	1.5
148.97333	2.2
149.02319	1.9
149.04776	1.9
149.05980	34.4
149.06952	1.3
149.09628	3.5
150.03110	2.5
150.06497	0.9
153.05466	12.7
153.09026	1.0
154.05945	1.1
158.99611	1.1
160.07607	1.2
162.03139	2.0
163.03915	14.7
165.05525	2.1
165.06992	1.0
167.03447	1.4
167.07013	2.2
167.08476	1.0
177.05469	93.2
177.09053	3.6
178.08600	1.0
186.05508	3.9
189.98016	1.3
195.02899	8.8
195.06566	6.8
195.08418	2.9
195.10205	2.8
195.13908	1.6
195.15845	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
50.36995	0.7
51.22932	0.7
51.77584	0.8
53.03940	3.0
53.79665	0.7
55.01862	3.4
55.05510	3.9
56.96548	2.6
57.03426	1.9
57.07067	1.5
63.02361	1.3
65.03946	4.4
67.01857	1.3
67.05507	5.8
68.96333	1.3
68.99773	1.5
69.03411	3.0
69.07067	4.7
70.35681	3.0
70.94265	0.9
71.01333	1.0
71.04982	2.3
73.02911	0.8
77.24271	0.7
78.04694	1.5
79.05063	1.1
79.05490	12.6
81.03413	3.3
81.04523	1.1
81.07062	7.2
83.04975	2.1
83.06097	1.3
83.08607	1.3
84.08112	0.8
85.02910	2.3
89.03916	30.3
89.06025	1.7
91.05479	13.2
92.06309	0.8
93.03375	1.2
93.07046	11.8
94.02924	2.8
95.04965	6.6
95.06124	1.1
95.08604	5.4
97.02896	2.2
97.06533	2.6
98.97575	1.1
103.05502	4.5
105.07036	5.6
106.04162	2.4
106.67859	1.0
107.04951	23.5
107.08600	6.5
108.05659	1.2
109.02834	0.9
109.06533	4.7
109.10183	1.9
109.98923	1.3
111.04456	6.2
111.05577	1.1
111.08047	2.5
116.98596	1.5
117.03379	51.7
117.07031	1.6
119.04934	1.4
119.06149	0.8
119.08569	1.5
119.17915	0.7
120.05662	0.9
121.02859	3.2
121.06497	10.1
121.10126	4.3
123.04417	2.0
123.08063	1.7
124.05190	1.9
125.06010	4.2
125.09612	1.5
127.03871	1.1
130.96379	1.1
131.04865	1.0
131.08580	2.6
133.02849	3.9
133.06425	2.1
133.10135	0.9
134.03633	10.2
134.99664	1.1
135.04422	19.2
135.05399	0.8
135.08047	7.8
135.11700	5.8
136.05055	0.7
136.08736	0.9
137.02357	0.9
137.05986	5.3
137.09593	1.2
138.06619	1.5
139.03900	2.8
139.07530	2.2
145.02846	90.7
146.03185	1.4
146.99652	1.5
147.04359	0.9
148.05161	2.1
148.97382	4.8
149.02345	1.8
149.04788	1.6
149.05977	33.2
149.09596	5.2
149.13266	1.8
149.97202	1.6
150.06696	3.2
151.03842	1.4
151.07484	1.6
152.04713	1.6
152.08377	0.9
153.01830	39.2
153.05472	10.0
153.97935	1.2
158.06024	0.9
159.11707	1.4
162.03128	2.9
163.03894	18.8
163.05136	1.1
163.07584	4.5
164.05826	12.0
164.08318	9.9
165.05469	5.4
165.06863	1.4
165.09171	2.0
167.03375	4.7
167.07053	4.1
167.08563	2.3
171.01601	1.0
171.02899	4.5
171.98923	3.1
177.05470	100.0
177.12730	2.1
177.16333	1.7
180.07816	9.2
180.09247	1.2
186.05501	3.0
195.02892	10.4
195.06522	26.9
195.08131	2.8
195.10149	12.5
195.11890	1.3
195.13831	2.3
195.15689	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
50.76912	0.8
53.03937	1.7
55.01858	2.2
55.05499	2.4
56.05030	0.9
56.96548	1.9
57.07071	1.2
65.03941	4.7
67.05489	3.0
68.01669	0.7
68.04985	0.8
68.99772	1.2
69.03403	1.8
69.07058	2.3
70.06563	1.4
70.94252	1.0
71.01340	1.3
71.57407	1.3
74.94420	0.7
76.20650	0.8
78.04693	2.1
79.05491	7.3
81.03406	2.0
81.07043	3.4
82.02947	0.8
83.04958	2.7
83.06094	1.0
84.08152	1.4
85.02895	1.2
85.06525	1.5
85.46386	0.8
89.03916	34.7
89.06005	1.1
89.83900	0.8
91.05486	9.7
93.03402	3.2
93.07022	5.8
94.06556	1.3
95.04977	4.9
95.06042	0.9
95.08585	2.6
96.05656	0.7
96.08076	0.8
97.02849	1.1
97.06513	2.6
103.05458	3.0
105.03380	1.6
105.04534	0.9
105.07025	3.9
106.04160	2.0
107.04958	10.3
107.08591	5.6
108.05623	0.8
109.06488	2.3
109.07616	1.2
109.98949	1.3
110.03618	1.1
110.07168	1.1
111.04430	10.3
111.05582	1.6
111.08051	2.3
111.09213	1.2
116.60203	0.9
116.98614	1.1
117.03374	57.9
117.07044	0.8
119.04953	2.2
119.08557	1.4
121.02876	1.8
121.06498	5.5
121.10143	3.4
123.04443	0.9
123.08062	1.2
124.05222	1.8
125.05997	9.5
125.06906	1.1
125.07233	0.7
131.08606	0.9
133.02826	3.6
133.06459	0.9
133.10092	1.0
134.03639	9.7
135.04419	17.4
135.08058	3.3
135.11685	2.3
136.04964	0.8
136.08667	1.3
137.05986	1.9
137.09598	1.5
137.10741	1.1
138.06635	1.0
139.03888	2.0
139.07527	1.0
145.02841	90.5
146.99614	1.0
147.04388	1.2
148.97336	2.9
149.02357	1.4
149.05975	32.8
149.09586	3.9
150.03136	1.2
151.07584	1.9
153.01779	0.8
153.05464	16.3
158.05994	1.2
159.11678	0.9
162.03166	4.0
163.03900	15.5
165.05466	2.3
165.47006	0.8
167.03363	1.1
167.07010	1.6
177.05464	100.0
177.12848	0.9
180.07608	0.8
186.05475	4.9
195.02887	7.3
195.06622	6.2
195.08376	2.6
195.10164	2.8
195.12267	0.7
195.13828	1.4
195.15620	1.4
204.06660	0.8
214.08371	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
51.02391	0.7
53.03935	1.5
55.01865	1.9
55.05507	1.6
56.05023	1.0
56.96563	1.9
57.03438	0.8
57.07070	1.2
60.63405	0.6
63.02363	1.0
65.03942	3.8
67.05494	2.0
68.05037	0.6
69.03418	1.2
69.07068	2.2
70.06577	0.9
70.18548	1.4
70.18967	1.9
71.04969	0.6
72.93777	0.7
78.00472	0.6
78.04698	1.6
79.05498	6.5
81.03426	1.3
81.04533	0.7
81.07056	2.4
82.06541	0.8
83.04977	1.1
83.06110	1.7
84.08145	1.4
85.02869	0.8
89.03917	33.2
89.06040	0.9
91.05489	6.2
91.84810	0.5
93.03400	0.6
93.07056	4.6
95.04971	4.2
95.06097	0.9
95.08591	1.7
97.06519	0.9
99.05613	0.8
103.05472	2.7
105.03386	1.1
105.07023	2.3
106.04178	1.9
107.04958	9.0
107.06033	0.8
107.08611	2.4
109.02882	0.6
109.06501	1.6
109.07627	1.3
109.10168	0.8
110.03590	0.7
110.06017	0.8
111.04429	5.4
111.05540	1.7
111.08038	0.7
116.98669	0.9
117.03378	54.2
118.03683	0.9
119.04963	1.2
121.02865	2.7
121.06503	3.5
121.10172	1.9
123.04436	0.9
123.08087	0.7
124.05206	2.5
125.05975	3.8
131.08525	1.3
133.02821	1.3
134.03638	9.9
134.99632	1.3
135.04408	14.3
135.08057	2.6
135.11653	1.3
136.03885	1.0
136.04945	0.9
137.05923	0.9
137.09560	0.6
138.06633	0.8
139.03874	2.8
145.02844	100.0
146.03189	1.2
148.97379	1.6
149.02371	2.9
149.05984	28.9
149.09630	2.2
150.03171	1.4
150.06453	0.8
151.03897	1.3
152.04703	1.2
153.05464	9.8
154.06253	0.7
158.06058	0.8
160.00642	0.6
162.03119	2.6
163.03914	14.8
164.30598	0.6
165.01839	2.2
165.06993	0.7
167.03381	1.5
167.07086	2.0
167.08519	0.8
171.98943	1.0
177.05472	98.9
177.08978	2.2
178.05922	1.4
180.04277	0.9
186.05490	4.0
187.02878	0.7
195.02885	8.9
195.06569	6.1
195.08380	1.8
195.10204	1.8
195.15717	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	Methyl 2,5-dihydroxycinnamate
Peak:m/z	Relative Intensity
53.03934	4.1
55.01865	3.0
55.05501	3.0
56.32352	1.0
56.96558	2.8
57.03429	0.9
57.07076	1.7
60.47193	1.0
63.02381	1.0
63.52174	0.9
65.03940	5.0
65.37955	0.9
67.05500	5.0
68.99792	1.5
69.03429	4.1
69.04545	1.3
69.07053	2.8
70.06567	1.6
71.04990	1.7
71.57417	1.0
71.57784	1.3
74.41132	0.9
77.03901	0.9
78.04716	2.2
78.99181	0.9
79.05061	1.9
79.05490	26.3
81.03446	2.4
81.07067	7.1
82.06586	1.2
83.04977	2.4
83.06094	1.5
83.08609	1.3
84.08134	1.5
85.02901	1.9
89.03918	31.6
91.05482	16.4
92.02642	1.1
93.03421	2.1
93.07040	12.8
94.04185	1.9
94.06539	1.2
95.01331	2.5
95.04968	11.8
95.08601	3.5
96.05675	1.3
97.02924	2.2
97.06537	3.0
98.97587	2.8
99.04475	1.3
103.05482	4.3
105.03392	2.3
105.04479	1.5
105.07030	13.7
106.04156	3.6
107.04956	56.3
107.08604	12.5
108.05756	2.3
109.02886	2.1
109.06530	5.6
109.07658	2.0
109.10149	2.5
111.04430	9.1
111.05561	2.2
111.08067	1.7
111.09256	1.4
115.05458	1.7
116.98626	1.4
117.03374	56.1
117.06981	1.3
119.04924	2.0
119.08566	8.5
121.02882	4.7
121.06525	6.1
121.10156	6.3
122.03642	1.2
123.04436	2.1
123.08002	1.8
124.05218	10.8
125.02375	1.1
125.06009	5.7
128.02264	1.3
131.08557	7.7
133.02844	8.0
133.06477	4.9
133.10161	2.3
134.03638	11.5
134.99698	1.8
135.04417	32.1
135.08026	7.9
135.11694	4.1
136.05019	1.1
137.05983	4.2
137.09607	2.0
138.06641	1.5
139.03908	3.2
139.07538	10.4
141.05482	1.2
145.02847	95.2
147.08026	1.6
148.97313	2.5
149.02328	4.8
149.05977	26.6
149.09637	6.7
150.03119	4.0
151.03906	6.6
151.07544	3.4
151.11200	1.2
152.04666	7.9
153.05495	16.0
153.09074	1.5
153.10239	1.6
159.08005	2.7
159.11801	1.6
162.03122	2.5
163.03900	41.0
164.04381	1.1
165.01837	23.4
165.05492	3.1
165.06898	1.7
165.09120	1.7
166.88589	1.0
167.03430	2.3
167.07034	9.8
171.98964	1.2
177.01938	3.8
177.05469	100.0
177.08890	6.0
177.12717	1.0
180.04204	14.0
186.05597	3.1
195.02910	23.0
195.06587	27.3
195.08295	2.3
195.10022	5.5
195.12184	1.8
195.13890	2.4
195.15744	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0287
Annotation	6,7,8-Trihydroxycoumarin
Peak:m/z	Relative Intensity
51.02368	0.2
51.82929	0.2
53.03952	0.4
55.01854	0.7
55.05502	0.5
55.66409	0.2
56.09086	0.2
56.96573	0.3
60.73625	0.2
65.03938	10.7
67.01854	0.7
67.05494	0.5
68.96320	0.4
68.99786	5.8
69.03427	1.5
69.07050	0.2
70.94247	0.3
71.04975	0.2
71.57628	0.2
71.58032	0.3
79.01845	0.6
79.05479	0.8
81.03403	0.5
81.07033	0.6
83.01351	0.2
83.04975	0.9
83.05424	0.2
85.02876	0.4
85.06475	0.2
85.10283	0.2
87.00780	0.3
88.88055	0.2
89.03913	0.3
91.05476	0.5
93.03400	1.7
93.07036	0.4
95.01320	0.3
95.04948	0.7
95.08643	0.5
97.02895	1.0
103.05439	0.2
105.07030	0.4
107.01313	0.3
107.04968	0.9
107.08578	0.7
109.02874	0.2
110.03646	0.4
111.00741	0.2
111.04436	16.5
111.08080	0.2
113.02341	0.3
113.59831	0.2
117.03373	0.5
117.07017	0.2
121.02864	20.0
121.03892	0.6
121.10134	0.3
123.04420	0.6
124.01575	0.3
125.02352	1.0
125.05923	0.2
126.03131	0.3
127.03925	2.6
128.02301	0.5
128.52460	0.2
130.96281	0.2
131.08527	0.3
135.00729	0.4
135.04388	0.5
135.07089	0.2
135.08043	0.5
135.09053	0.2
135.11679	0.3
137.02362	0.8
137.05978	0.2
138.03105	0.7
138.06630	0.2
139.03900	12.3
140.04193	0.2
145.02820	1.2
148.97409	1.0
149.02333	17.3
149.05971	0.5
149.09641	0.3
149.87030	0.2
149.97171	0.4
150.02765	0.3
151.03891	0.4
153.01820	8.6
153.05469	0.6
153.97859	0.3
154.02582	2.4
158.20377	0.2
158.31013	0.2
163.03886	0.5
166.02531	1.1
167.03397	24.2
167.07063	0.5
168.03716	0.4
171.02875	2.7
171.98981	0.4
172.98831	0.2
177.01831	2.7
177.05440	1.0
177.09108	0.4
177.12799	0.3
179.03435	0.3
195.02882	100.0
196.03271	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
53.08236	0.2
55.01867	1.5
55.05509	2.8
56.05034	3.1
56.96563	7.6
57.03429	1.6
57.07063	0.5
58.02960	0.2
58.06585	0.3
60.04523	100.0
61.04856	0.4
65.03947	0.2
67.05502	4.4
67.05833	0.4
68.05025	0.6
69.03429	1.7
69.07066	4.5
70.06579	1.3
70.39173	0.7
70.39531	0.3
71.01336	0.3
71.04594	0.4
71.04990	6.6
71.95252	1.2
72.04510	1.3
72.05830	0.2
72.96047	0.4
73.02925	0.4
74.02438	0.2
74.06079	1.8
77.00902	0.3
79.05494	3.5
80.05009	1.9
81.03416	1.9
81.05797	0.3
81.07056	6.0
82.06566	1.3
83.04994	0.6
83.08603	0.6
84.04493	0.2
84.08159	1.0
84.86905	0.2
85.02907	1.0
85.06543	4.9
86.06087	0.7
87.04473	0.4
88.07633	0.8
89.03929	0.5
90.05555	0.8
91.05495	1.3
93.07038	3.9
94.06566	1.1
95.04955	2.4
95.08604	5.3
96.08108	1.2
97.02882	0.4
97.06522	4.9
98.06047	0.8
98.09671	0.3
98.20901	0.3
98.21442	0.2
98.97578	0.2
99.04489	0.5
99.08091	5.7
100.07609	0.9
100.11234	1.1
101.00904	0.2
102.05546	0.2
105.04510	0.2
105.07030	1.4
106.06567	0.2
107.04926	0.2
107.07343	0.3
109.02892	0.3
110.09679	1.0
111.08080	2.8
112.07605	0.6
112.11243	0.5
114.09176	0.6
115.02417	0.3
115.07566	0.4
116.07095	0.3
116.98609	0.4
117.03368	0.4
118.08651	0.9
119.01899	0.7
120.08112	0.3
122.09671	2.1
123.08067	3.1
128.07117	0.3
128.10707	4.9
129.09128	0.3
130.08659	0.4
132.10216	0.3
133.03453	0.5
134.08116	0.5
134.99586	0.3
140.10715	3.6
141.09100	2.4
142.96529	0.3
143.01955	0.3
145.01799	0.4
145.02902	0.8
149.05998	0.3
152.07045	0.2
153.05457	0.4
158.11761	6.0
158.17508	0.2
159.10187	0.4
160.97592	0.6
161.01337	0.3
161.02892	0.4
171.01369	0.3
175.77162	0.2
176.09276	0.2
176.12811	5.7
177.05482	0.7
178.98732	0.2
188.97020	1.5
189.00639	0.7
189.02457	0.7
194.08121	0.7
194.10260	0.6
194.13878	11.9
194.15396	0.8
206.98128	1.6
207.03517	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.1037
Annotation	CHEBI:69063
Peak:m/z	Relative Intensity
52.88678	0.3
53.03936	0.5
55.01855	0.7
55.02997	1.8
55.05503	0.4
56.05029	0.4
56.96565	2.0
57.03411	0.5
59.64222	0.2
60.04519	0.5
63.02348	0.3
65.03928	1.0
67.05496	0.6
68.05033	0.4
69.03414	1.1
69.04534	1.0
69.07054	0.7
69.61555	0.9
69.61982	1.2
70.06576	0.7
71.06114	1.6
73.02890	0.3
79.05474	1.2
80.05004	0.6
81.03429	0.7
81.07042	0.9
83.06069	0.3
84.04517	0.4
84.08121	0.6
84.10548	0.3
85.02894	0.6
89.03920	2.2
91.05468	1.0
91.97681	0.3
92.04979	0.4
93.03374	0.3
93.07015	0.8
94.06539	0.5
94.75231	0.3
95.04964	0.9
95.08585	0.5
96.04511	0.4
96.05624	2.3
97.02911	0.7
97.04010	0.7
97.06480	0.5
98.06027	0.5
98.97550	0.7
101.55048	0.2
102.31405	0.3
103.05437	0.4
105.07000	0.8
106.04101	0.3
107.02454	0.5
107.04939	1.1
107.08598	0.5
108.16480	0.3
109.02868	0.6
109.06495	0.4
110.05989	0.5
111.04442	0.6
116.98630	0.4
117.03384	3.4
119.01866	0.5
121.02845	0.4
121.06486	0.8
121.10208	0.3
122.06039	0.4
124.05074	32.1
125.06058	0.6
130.96613	0.3
131.01971	0.3
131.04839	0.3
131.08565	0.4
133.02837	0.5
134.03647	0.8
134.04765	0.2
134.05966	0.4
134.99666	0.5
135.04396	1.0
136.07469	1.2
136.08485	0.4
136.11932	0.4
137.06023	0.4
138.05443	0.4
138.06494	0.4
138.09152	0.4
139.03882	0.4
141.15121	0.3
142.06119	7.6
144.04970	0.3
145.02838	6.1
148.03862	0.6
148.07570	0.9
149.02283	0.3
149.04585	3.4
149.05966	2.3
150.05356	0.8
151.06160	0.6
151.09814	2.0
152.07013	0.4
153.05452	1.5
153.07736	0.4
162.06181	0.4
163.03902	1.3
164.05605	0.3
166.04935	0.4
166.08655	0.5
167.05655	16.4
172.56664	0.4
176.03409	2.1
176.09308	1.1
177.05470	6.5
177.09058	0.4
179.03098	0.4
179.08015	2.7
182.04332	0.3
194.10370	100.0
195.02916	0.6
195.06593	0.4
195.10640	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
52.40396	1.0
53.03937	3.0
54.29965	1.0
55.01870	6.4
55.05510	22.4
57.03420	3.3
57.07067	3.8
59.04984	2.1
65.03941	3.0
65.86951	1.0
66.04718	1.1
67.05502	30.2
68.99787	4.8
69.03427	14.6
69.07062	13.2
69.77232	5.0
69.77663	2.9
71.04980	3.4
77.03929	1.8
79.05059	1.9
79.05492	22.7
81.02930	1.8
81.03413	33.8
81.06580	1.7
81.07053	30.4
83.04984	20.8
83.08620	11.5
85.06538	3.8
91.05478	24.6
93.07038	18.2
95.04973	23.3
95.08606	38.4
97.06514	4.4
97.10159	1.4
98.20759	2.4
103.05460	13.6
104.06226	4.2
105.07029	100.0
106.07352	2.7
107.04967	4.5
107.08591	29.3
109.06514	22.6
109.10153	46.5
111.00787	3.1
111.04420	3.1
111.08094	6.2
115.05452	17.2
117.06990	2.1
118.04174	6.8
119.04956	2.5
119.08585	35.0
121.06490	2.5
121.10149	16.7
122.07282	1.4
123.04429	89.3
123.08061	32.0
123.11691	7.7
124.04750	1.6
126.05499	1.1
127.07520	1.1
128.28607	1.1
129.06978	4.6
131.04898	4.6
131.08525	4.3
132.05707	3.2
133.02855	6.5
133.06491	67.2
133.10123	26.1
134.06837	2.7
135.04454	1.3
135.08119	1.7
135.11681	26.6
137.05972	15.1
137.09612	22.4
138.10353	3.1
139.02806	1.1
139.03906	22.3
143.04930	2.0
143.06052	3.6
145.10129	1.2
147.04420	3.5
147.08032	4.0
147.11678	8.2
149.02345	1.2
149.05965	3.3
149.09595	2.7
149.13263	8.9
150.03094	2.1
151.03900	37.8
151.07529	3.4
151.11186	8.1
151.14816	4.4
157.10129	2.5
160.05214	3.3
161.05986	48.8
162.06454	1.4
163.03873	3.2
164.04704	5.1
165.05492	13.6
165.09113	15.3
165.12852	1.4
165.16420	2.2
175.07571	7.0
175.11137	3.1
175.13483	1.9
175.14842	22.3
178.02600	3.8
178.06284	8.3
193.04974	13.4
193.08606	97.0
193.12193	5.8
193.15871	41.1
193.17628	2.5
194.09006	3.3
194.15935	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03926	1.4
55.01866	1.6
55.05510	11.3
57.07048	3.5
65.03936	2.0
67.05505	15.3
69.03410	2.0
69.06723	1.8
69.07067	22.1
69.83813	6.6
71.04996	17.2
79.05488	12.2
81.03394	3.7
81.07053	26.4
83.04978	2.0
83.08601	4.8
85.06547	13.8
91.05491	8.7
91.98180	1.1
93.07041	28.1
95.04971	37.9
95.08606	23.4
97.06506	3.3
97.10171	7.4
98.21472	2.8
99.08086	4.7
103.05450	2.6
105.07024	17.0
107.08596	35.2
109.06518	100.0
109.10148	14.6
110.06855	1.4
111.08061	7.8
111.11649	1.7
119.08578	32.1
121.10136	7.8
122.03657	2.2
123.08079	9.3
123.11694	18.3
131.08577	2.1
133.02850	7.1
133.06479	4.2
133.10135	23.9
135.11684	31.8
137.05934	4.3
137.09624	14.0
146.97467	2.3
147.11649	4.8
149.02347	3.4
149.05984	2.1
149.13252	6.9
150.03139	1.9
151.11183	5.7
151.14810	1.6
161.05882	1.7
165.05505	1.2
165.09138	1.4
171.26588	1.3
175.11171	1.8
175.14836	35.6
178.02589	5.1
189.00455	1.2
193.04967	22.7
193.06531	2.3
193.08565	1.4
193.12187	4.6
193.15874	46.9
193.17665	2.4
194.04312	1.3
194.08018	2.0
194.15451	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03951	3.9
54.73515	3.5
55.05508	40.4
57.07071	8.2
59.04989	4.3
67.05510	42.2
69.03416	18.6
69.07077	30.5
69.69362	26.1
69.69772	7.8
71.04971	4.0
79.05510	19.5
81.07050	51.1
83.04977	47.0
83.08598	16.7
85.06543	8.4
91.05492	19.4
93.07042	30.6
94.53860	3.5
95.04971	5.9
95.08615	78.0
97.06485	4.8
97.10172	4.8
98.21485	6.3
105.07043	38.0
107.08601	56.7
109.06519	32.5
109.10158	100.0
111.08111	8.7
115.05473	4.2
119.08583	64.8
121.10140	42.2
123.08074	56.9
123.11716	14.7
131.08539	3.9
133.06496	15.6
133.10132	54.3
135.11685	81.9
137.09604	43.3
138.10394	4.9
145.87659	5.2
147.11687	7.7
149.13297	19.9
151.11201	17.9
151.14853	14.8
153.33177	4.3
161.06018	5.8
175.14838	53.8
193.08611	8.1
193.15887	92.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03940	2.5
55.01860	3.1
55.05511	38.3
57.03435	2.5
57.07075	9.4
59.04984	3.2
60.28614	1.3
65.03923	3.0
66.04707	1.4
67.05505	40.7
68.99817	1.6
69.03430	17.2
69.07066	18.5
70.06555	1.3
71.03267	1.5
71.03591	2.0
71.05011	6.5
76.02245	1.8
79.05499	16.1
81.03406	4.5
81.07059	45.3
83.04983	31.3
83.08617	17.1
85.06544	4.6
91.05477	16.2
93.07036	22.2
95.04964	7.9
95.08607	54.4
97.06540	6.4
97.10168	5.8
99.08065	2.0
103.05488	7.5
104.06238	1.6
105.03419	1.1
105.06306	1.3
105.07031	59.2
107.04957	3.4
107.08597	39.6
109.06522	28.4
109.10159	99.4
110.10507	1.4
111.08082	13.7
115.05473	7.7
117.07027	2.0
118.04154	4.4
119.08582	54.2
121.06527	1.3
121.10139	37.4
122.07291	3.8
123.04421	5.4
123.08068	100.0
123.11703	16.7
124.08388	1.6
125.09621	4.1
129.07030	2.1
131.04903	2.8
131.08557	2.5
132.05731	1.3
133.02841	4.9
133.05478	1.8
133.06488	31.8
133.10132	43.8
134.06880	1.4
134.10461	1.5
135.08054	4.1
135.11688	65.1
136.12085	1.3
137.05963	3.3
137.09615	56.3
137.13304	1.7
138.10410	17.9
140.54921	1.1
143.06023	2.1
145.10149	1.8
146.97385	1.4
147.04414	2.0
147.08022	2.5
147.11703	11.9
149.02295	1.7
149.05980	1.9
149.13272	11.7
150.06589	1.2
151.11165	8.9
151.14827	10.9
161.05992	21.8
165.05476	1.8
165.09090	1.7
165.12804	2.1
165.16356	2.5
175.07576	2.5
175.11211	3.9
175.14822	42.9
176.15164	2.1
178.02625	3.8
193.04939	11.5
193.08621	16.0
193.10388	1.9
193.12256	4.5
193.15889	70.6
200.61632	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
52.41004	2.6
53.03952	3.1
54.69820	2.9
55.01857	6.2
55.05509	31.8
57.03437	5.1
57.07065	10.0
59.04997	2.8
65.03930	10.1
67.05505	42.8
68.99766	7.5
69.03425	14.1
69.07069	19.2
70.49352	10.3
71.04974	8.9
79.05492	23.5
81.03405	10.9
81.07050	48.2
83.04984	28.6
83.08607	10.7
85.06538	7.3
91.05486	34.8
93.07047	37.3
95.04960	23.9
95.08607	58.6
97.06544	8.0
97.10177	3.2
103.05454	4.0
105.07030	95.7
107.04951	21.0
107.08595	45.7
109.06523	35.5
109.10150	71.0
111.04427	3.2
111.08041	9.3
115.05465	8.9
116.98635	3.6
117.07011	4.0
118.04124	3.9
119.08572	58.9
121.06511	6.8
121.10145	27.1
123.04454	15.2
123.08064	39.5
123.11704	9.9
123.45621	2.9
127.07577	2.9
129.07025	3.5
131.08577	6.4
133.02832	10.8
133.06493	100.0
133.09140	3.1
133.10130	62.2
134.06892	4.1
135.08057	19.7
135.11681	42.9
137.05981	9.1
137.09607	36.0
139.03874	3.0
147.08012	10.1
147.11690	45.0
149.02339	14.2
149.09587	4.3
149.13272	11.6
150.03030	3.1
151.07521	4.7
151.11162	11.7
151.14832	6.0
161.05951	17.5
165.09123	12.5
165.12755	12.0
165.16415	4.2
175.07553	6.0
175.11171	11.6
175.14828	39.0
178.02536	6.1
193.04936	29.8
193.08617	26.1
193.10193	4.1
193.12262	12.8
193.15898	61.2
194.15378	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	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03941	4.0
55.01869	4.0
55.05510	33.6
56.96557	3.3
57.03430	3.5
57.07072	12.1
59.04997	5.3
65.03923	2.9
66.04727	1.5
67.05507	59.8
69.03418	7.3
69.07068	21.9
71.05016	9.0
77.03931	2.0
79.05489	23.9
81.03410	12.9
81.07059	39.6
83.04994	12.7
83.08629	10.1
85.02906	1.8
85.06543	29.5
91.05477	29.8
93.07047	41.4
95.04980	16.8
95.08607	43.2
96.39480	1.2
97.06519	4.1
97.10152	2.7
99.08093	74.0
100.08430	1.9
103.05480	8.0
105.07031	71.3
106.07391	3.1
107.04942	5.7
107.08598	37.3
109.06513	15.3
109.10156	100.0
110.10499	1.7
111.08080	8.3
115.05444	6.3
116.98610	2.7
117.07001	4.1
118.04143	3.6
119.07692	2.7
119.08574	57.1
121.06522	3.5
121.10155	25.5
123.04414	2.1
123.08064	18.7
123.11718	11.9
125.09615	1.8
131.08545	7.6
133.02861	8.2
133.06487	29.8
133.09128	3.6
133.10133	67.5
134.10445	2.1
135.08104	3.0
135.10693	2.7
135.11697	40.4
137.05992	6.7
137.09616	59.3
138.10371	2.3
138.65813	1.4
143.06013	2.8
145.10124	2.0
147.04384	2.4
147.08104	2.0
147.10658	2.2
147.11693	21.1
148.08788	1.9
149.02397	2.6
149.06000	1.6
149.09593	2.9
149.13245	11.7
150.03102	2.0
151.07611	2.0
151.11211	12.0
151.14815	4.9
157.10088	1.9
161.06004	20.4
165.05479	3.6
165.12740	1.7
165.16339	2.6
175.07556	3.0
175.11227	3.9
175.14830	47.0
176.03384	2.3
176.15128	3.8
178.02614	8.6
178.06256	3.4
191.34258	1.5
193.04959	27.3
193.08673	12.1
193.10204	2.1
193.12279	9.3
193.15895	67.0
194.05466	1.7
194.15379	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
50.35381	1.1
50.99129	1.0
53.03932	2.3
55.01863	2.8
55.05511	39.9
56.96556	1.6
57.03421	3.4
57.07075	7.6
59.04985	3.1
65.03922	1.6
67.05505	39.7
69.03078	1.8
69.03428	23.6
69.07069	28.6
70.46722	1.2
70.83605	3.4
71.04993	6.0
71.08611	1.3
77.03880	1.3
79.05498	15.8
81.03407	8.1
81.07056	50.3
83.04480	2.3
83.04979	39.6
83.08620	18.8
85.06542	8.8
89.99123	1.0
91.05482	22.2
91.46708	1.1
93.07042	33.3
95.04958	10.1
95.08602	72.5
96.08904	1.3
97.06538	7.5
97.10178	6.1
99.08091	4.1
103.05456	4.6
103.49168	1.0
105.07024	45.2
107.04968	2.5
107.07862	2.6
107.08594	52.3
108.05730	1.6
109.06523	31.9
109.10155	100.0
110.10457	2.0
111.08078	14.7
115.05466	3.8
117.07063	2.1
118.04163	2.3
118.74370	1.3
119.08576	64.2
121.06557	1.6
121.09319	2.4
121.10146	34.2
122.03646	1.7
122.07281	1.7
123.08063	71.8
123.11713	14.3
125.09629	4.3
129.07069	1.5
131.08597	2.6
133.02878	6.8
133.06503	18.9
133.10129	56.7
134.10454	1.8
135.11687	76.5
137.05986	3.1
137.09612	49.3
138.10428	10.3
139.11107	1.4
145.10117	2.0
146.10916	1.5
147.04413	1.2
147.11676	8.8
149.02350	1.5
149.05965	1.9
149.13274	19.2
149.64073	1.1
150.03090	1.5
151.11188	17.8
151.14815	10.8
159.11768	1.1
161.05989	13.3
165.12750	3.5
165.16417	4.5
165.82437	1.1
174.72260	1.1
175.14822	47.7
178.02644	4.7
193.04984	19.4
193.06799	1.6
193.08611	6.6
193.15883	96.3
194.08139	1.2
194.16226	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	193.1223
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03949	8.3
55.01858	4.2
55.02096	0.9
55.05506	10.6
56.96556	2.6
57.03425	2.6
57.07069	2.5
59.04987	1.8
62.78701	1.0
65.03931	3.3
67.05504	34.8
69.03416	3.1
69.07069	8.8
70.03734	2.3
70.04136	1.8
71.04980	9.9
77.03932	1.0
79.05490	54.0
81.03417	33.8
81.07056	26.1
83.04981	7.3
83.08629	5.5
85.06525	2.9
89.03880	0.9
89.67622	0.8
91.05478	95.6
93.07041	76.0
94.07298	1.0
95.04969	30.1
95.08602	9.5
97.02886	1.0
97.06524	2.9
98.68713	1.0
103.05474	5.5
104.06215	0.9
105.04506	3.3
105.07029	66.9
106.07359	1.4
107.04951	5.3
107.08595	6.2
109.06508	7.5
109.10135	5.7
111.08076	1.2
113.06033	2.4
115.05441	5.8
116.06178	1.2
117.07011	3.2
118.04165	2.2
119.04890	1.4
119.08582	22.4
121.06483	3.0
121.10129	3.0
122.03637	2.2
123.04421	2.3
123.08034	5.1
123.11687	1.8
127.07543	1.2
128.06221	1.6
129.06999	17.2
131.08568	26.2
133.02838	10.3
133.06499	16.9
133.10127	100.0
134.10468	2.0
135.04385	1.1
135.08069	1.5
135.11647	1.7
137.06029	5.1
137.09612	2.5
142.07759	4.5
146.97427	3.7
147.04398	1.3
147.08057	6.1
147.11668	21.7
149.02342	2.4
149.05980	1.3
149.09605	2.4
150.03087	1.0
151.07509	3.4
151.11147	1.7
157.10130	16.9
161.06020	11.2
165.05490	2.6
165.09033	1.4
166.08609	1.2
169.99046	2.1
175.11172	19.9
175.14803	2.9
176.03452	1.2
178.02596	6.3
178.06209	1.7
178.07710	1.2
193.04956	23.1
193.08607	11.4
193.10281	1.9
193.12218	17.4
193.15874	4.9
193.17625	1.5
194.08105	1.6
194.09721	1.0
194.15402	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1223
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
51.02385	1.0
53.03944	4.1
53.31602	0.3
55.01870	5.7
55.05510	11.2
56.96564	0.6
57.03442	3.9
57.07068	1.5
59.04993	0.5
65.03928	3.0
66.04719	0.7
66.08079	0.4
67.00164	0.3
67.05505	31.7
68.99789	0.4
69.03429	5.8
69.07072	6.2
71.01340	0.9
71.04996	3.4
71.13239	0.9
71.13576	0.4
77.03952	0.6
79.05493	26.2
81.03418	100.0
81.07056	19.7
82.03755	0.5
82.07388	0.4
83.04984	7.0
83.08618	12.6
85.02914	0.6
85.06543	1.7
90.04709	0.4
91.05481	27.7
93.07049	12.9
94.04195	0.4
95.04971	43.8
95.08601	11.0
96.05325	0.4
97.02896	3.1
97.06523	2.4
97.10152	1.8
99.08101	0.7
103.05473	7.1
104.06271	1.3
105.03389	0.6
105.07031	59.4
106.07375	1.3
107.04960	9.9
107.07871	0.7
107.08591	9.8
109.02921	0.5
109.06524	6.0
109.10162	8.8
109.10905	0.5
111.04467	2.9
111.08076	3.0
115.05455	10.4
116.06190	0.4
117.07009	2.1
118.04163	4.3
119.04949	1.3
119.08583	18.1
121.06526	2.9
121.10152	5.9
122.03693	0.7
123.04432	2.7
123.08068	5.8
123.11669	2.1
123.46986	0.4
125.09599	0.5
128.06238	1.2
129.07014	8.5
131.04919	1.9
131.08577	8.8
132.05713	1.7
133.02863	3.8
133.06494	38.5
133.10129	14.4
134.06892	0.7
135.04395	1.1
135.08067	0.7
135.11691	6.2
137.05978	3.8
137.09612	5.3
137.13327	0.6
141.06924	0.5
142.07776	3.5
143.05045	0.8
143.06046	2.0
145.10110	1.1
146.97493	0.9
147.04428	1.5
147.08058	4.3
147.11693	8.6
147.12793	0.7
148.07484	0.4
149.02344	0.6
149.05997	1.7
149.09625	4.5
149.13300	2.1
150.03105	0.8
151.03857	0.9
151.07533	1.0
151.11162	1.9
157.10117	5.1
160.05228	1.1
161.05981	26.2
162.06509	0.6
163.03926	1.4
165.05495	1.2
165.09091	1.3
165.12769	1.5
175.03951	0.7
175.07584	1.2
175.11180	7.1
175.14819	7.1
178.02579	3.1
178.06212	1.6
193.04976	11.9
193.08617	18.3
193.12233	10.2
193.15901	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	193.1223
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
53.03942	8.1
55.01867	8.3
55.05513	18.1
56.96561	9.8
57.03440	57.7
57.07075	8.3
60.54444	3.4
65.03925	9.5
67.05508	39.6
69.03419	12.2
69.07057	15.8
71.04992	10.3
71.18671	5.6
74.66925	3.5
79.05495	37.5
81.03423	40.5
81.07059	47.8
83.04963	9.4
83.08611	8.2
84.33333	3.1
85.06535	4.8
91.05476	62.8
93.07037	53.7
94.68464	3.4
95.04983	35.0
95.08607	25.7
97.06548	8.7
103.05493	6.1
105.03380	4.0
105.07030	100.0
107.04969	7.2
107.08569	25.7
109.02837	4.9
109.06535	20.2
109.10168	23.4
111.08099	4.6
115.05460	14.5
117.07021	9.7
118.04115	4.0
119.04941	14.0
119.08585	77.9
120.05270	13.1
121.06499	28.4
121.10139	7.7
122.03649	7.8
123.04430	11.5
123.08061	12.2
123.11694	7.5
129.07002	5.8
131.04926	4.0
131.08572	8.3
133.02866	38.9
133.06500	43.4
133.10129	67.9
135.08052	6.2
135.11673	12.3
137.05966	15.6
137.09619	34.9
142.07822	5.7
145.10086	6.2
146.97420	13.8
146.99631	4.9
147.04433	4.4
147.08078	12.2
147.11719	30.9
149.02299	5.4
149.03540	3.6
149.05907	4.5
149.09624	6.0
149.13274	5.6
150.03230	4.0
151.07591	3.6
151.11201	4.4
157.10146	10.3
161.06001	30.4
165.05490	7.5
165.12729	4.0
175.11192	38.7
175.14828	10.8
178.02596	27.0
189.04329	8.1
193.04967	95.2
193.08641	24.7
193.10490	7.0
193.12312	35.9
193.14192	11.8
193.15819	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0859
Annotation	3,4,-Dihydro-6-hydroxy-4,7-dimethyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
50.70468	1.8
52.11227	1.3
53.03933	5.2
55.01856	6.7
55.05503	14.8
56.96544	2.1
57.03422	5.5
57.07059	3.4
59.04983	1.6
65.03926	3.4
66.04726	1.9
66.50777	1.7
67.05505	32.2
68.99780	11.5
69.03432	7.6
69.07070	9.9
70.15269	6.7
71.04970	3.3
76.32079	1.6
79.05061	2.4
79.05486	31.7
81.03419	33.3
81.07053	35.9
83.04972	6.4
83.08605	6.6
85.02882	1.7
85.06517	1.6
88.42908	1.3
91.05471	24.0
93.07041	17.3
94.04204	1.5
95.04965	24.2
95.08600	28.4
97.06518	4.4
99.08129	1.6
103.05466	18.2
104.06229	3.8
105.03359	2.3
105.07026	100.0
107.04941	5.6
107.08584	16.3
109.06506	26.8
109.10151	20.4
111.00841	2.3
111.04458	3.5
111.08081	2.4
115.05450	18.7
117.06979	3.1
118.04144	9.9
119.04919	3.3
119.08578	24.3
121.06476	4.4
121.10127	7.2
122.03619	2.8
123.04424	39.4
123.08062	22.4
123.11698	5.8
124.08521	1.3
125.09604	3.2
129.07005	4.9
131.04941	3.3
131.08546	3.5
132.05682	2.3
133.02858	15.5
133.06488	74.4
133.10124	16.6
134.06836	2.2
135.04372	1.9
135.08037	3.4
135.11684	12.7
137.05968	18.9
137.09615	10.3
139.03871	4.5
142.07729	2.3
143.05006	2.0
143.06044	2.8
146.97441	4.2
147.04378	3.5
147.08005	7.1
147.11691	10.1
149.02336	4.0
149.05989	4.8
149.09607	4.6
149.13286	4.9
150.03134	3.8
151.03896	8.7
151.07533	6.8
151.11127	3.8
157.10118	1.9
160.05200	3.5
161.05977	63.5
162.06731	3.7
163.03908	11.1
164.04668	4.4
165.05463	6.8
165.09103	26.8
165.12747	2.6
175.07570	10.1
175.11203	5.6
175.14836	11.7
178.02621	10.2
178.06258	13.2
188.33574	1.3
193.04945	36.5
193.08598	73.8
193.12201	14.2
193.15878	27.2
193.17584	1.9
197.78778	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0859
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
51.02391	1.0
53.03944	1.5
55.01870	3.9
55.05505	1.1
56.96565	1.1
57.03442	0.7
57.07056	0.9
61.61737	0.4
65.03949	1.0
66.04722	1.4
67.05511	2.3
69.03429	1.3
69.07072	1.3
70.06572	0.6
70.14207	1.7
71.04992	0.5
74.91224	0.3
77.03920	1.1
79.05490	15.6
80.05050	0.4
81.03404	2.1
81.07044	3.2
83.04993	0.7
83.08636	0.7
89.03909	1.2
90.04710	1.5
91.04898	0.5
91.05475	9.9
91.06014	0.7
92.02611	0.4
93.07052	1.9
94.04171	1.6
95.04966	4.8
95.08604	2.6
97.02882	1.0
97.06540	0.9
97.07665	0.4
98.97604	0.5
102.04658	0.4
103.05463	18.4
104.06274	0.8
105.03437	2.2
105.07027	100.0
106.06625	0.6
106.07363	2.6
107.04990	1.8
107.08610	2.7
108.04488	0.6
109.02898	0.5
109.06495	1.9
109.07674	0.8
109.10149	1.8
115.05450	22.5
116.05801	1.1
117.07008	0.9
118.04160	12.4
119.04942	1.4
119.08556	3.8
121.06516	0.6
121.10132	1.0
122.03646	5.2
123.04433	0.6
123.08074	0.9
123.11720	0.7
125.02292	0.5
125.03117	0.5
129.06995	0.4
131.04922	4.4
132.04482	0.6
132.05704	1.8
133.02853	26.1
133.06487	83.1
133.10104	4.0
134.03673	2.8
134.06841	1.5
134.48506	0.4
135.08034	0.5
135.11705	1.9
137.05969	8.5
137.09642	1.4
138.06371	0.6
143.04936	1.4
143.06044	5.1
146.03700	0.8
146.97456	0.5
147.04340	1.9
147.06358	0.4
147.08028	1.0
147.11684	1.6
149.02330	0.5
149.05969	2.9
149.10738	0.5
150.03098	4.6
150.10330	0.5
151.03970	0.7
151.07513	0.9
157.10149	0.7
160.05156	0.5
161.02330	1.1
161.05978	68.7
162.06306	2.4
165.05473	3.2
165.09114	0.8
165.12726	0.6
175.03909	0.7
175.07541	1.3
175.11169	1.0
175.14810	1.8
176.03450	0.5
176.06976	0.6
178.02600	19.1
178.06212	1.4
179.02931	0.7
193.04959	51.3
193.08563	11.1
193.12161	2.1
193.15884	2.3
194.05414	1.9
194.08159	0.8
194.15462	0.6
209.70322	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0859
Annotation	3,4-Dimethoxycinnamaldehyde
Peak:m/z	Relative Intensity
52.52581	0.6
53.03931	2.0
55.01868	3.5
55.05497	1.9
56.05014	0.8
56.79470	0.6
56.96561	9.4
57.07066	2.4
57.23411	0.5
65.03928	1.7
66.04742	0.7
67.05507	3.8
67.19614	0.6
68.05044	0.8
68.99773	2.9
69.03420	1.9
69.07059	1.8
70.06593	4.8
71.26172	1.1
71.26494	0.7
77.03925	1.0
79.05482	9.2
81.03430	1.3
81.04495	0.8
81.07047	3.7
83.04970	1.6
83.08607	1.0
84.08144	0.7
86.09663	1.0
89.03931	0.8
91.05470	12.6
93.07024	2.1
94.04154	1.3
94.06548	0.6
95.01346	0.6
95.04967	9.3
95.05987	0.8
95.08595	2.5
103.05459	9.3
104.06257	1.3
105.03375	1.9
105.07026	20.7
107.04949	5.9
107.06040	1.3
107.08596	1.3
109.06488	3.5
109.07635	1.2
109.10129	2.4
111.04433	1.5
115.05440	2.7
116.98656	0.7
117.07000	1.9
118.04160	4.6
119.04938	6.1
119.08562	10.1
120.05693	2.2
121.02835	1.6
121.06503	6.3
121.10146	1.5
122.03648	2.5
122.07229	1.0
123.04466	3.8
123.08051	2.0
123.11725	1.0
129.06975	1.3
130.04097	1.1
131.04898	3.2
132.05685	1.4
133.02849	12.1
133.06490	22.3
133.10088	2.5
134.07265	5.6
135.04413	6.9
135.08051	4.5
135.11624	0.8
136.05179	1.1
136.07562	2.0
137.05971	7.7
137.09604	1.5
138.06506	0.7
139.03908	8.5
143.05992	0.6
146.97461	1.5
147.04404	40.6
147.08037	5.1
147.11671	1.4
148.04811	0.8
149.02332	1.1
149.05971	7.0
150.03148	3.6
150.05551	1.0
150.06749	14.0
150.10229	0.8
151.03903	5.0
151.07539	19.0
151.11115	1.2
160.05194	2.4
161.05983	12.4
162.06754	100.0
163.03944	3.3
163.07159	3.3
164.04630	0.7
164.08325	1.0
165.05460	4.9
165.09109	24.1
166.09601	0.8
168.00940	0.7
168.02463	0.7
175.03862	1.8
175.07491	4.6
175.14819	1.7
177.05473	1.7
178.02602	8.5
178.06271	7.6
178.07683	1.1
182.02295	2.1
191.02800	1.5
193.04956	29.1
193.08595	41.2
193.12215	3.8
193.14302	1.0
193.15862	6.0
193.17516	1.1
194.08992	0.8
197.01279	0.8
200.03226	0.7
201.00612	0.8
213.00694	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	193.0859
Annotation	Coumaryl acetate
Peak:m/z	Relative Intensity
53.03933	0.6
55.01859	1.6
55.05495	0.5
57.03437	0.8
57.07062	0.3
60.94684	0.3
65.03932	0.6
67.05475	0.5
71.03029	0.9
77.03902	0.3
79.05477	2.7
81.03440	0.5
81.07048	0.6
85.54924	0.3
87.62737	0.3
91.05480	2.2
93.07054	0.5
95.04964	1.3
95.08627	0.5
99.04438	0.8
103.05476	2.2
105.07028	27.6
106.07362	0.8
107.04950	22.6
107.08573	0.6
108.05283	0.5
109.06483	0.3
109.10160	0.7
111.09383	0.4
115.05441	1.2
119.08559	1.4
121.02877	0.3
122.03656	0.6
122.19498	0.3
123.08100	0.4
131.04927	1.8
132.05688	0.7
133.02849	1.2
133.06487	100.0
133.10141	1.2
134.06804	2.8
135.11674	0.4
137.05977	0.9
137.09621	0.5
147.08029	3.4
147.11687	0.5
149.02339	0.9
149.06004	0.5
150.03105	0.4
161.05971	1.9
175.07597	1.1
175.14867	0.6
178.02629	1.7
193.04964	5.0
193.08641	0.8
193.12291	0.7
193.15869	1.1
207.75319	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.01870	1.6
55.05514	0.4
56.96556	0.3
57.03429	1.0
57.07069	0.2
65.03931	0.2
67.05501	0.8
68.64782	0.2
68.99785	0.2
69.03431	0.4
69.07066	0.5
70.87192	0.3
70.87546	0.3
72.93781	0.3
77.03925	0.3
79.05496	3.3
81.03431	1.0
81.07053	0.8
83.04947	0.2
91.05485	3.2
93.07039	0.5
95.04955	1.6
95.08611	0.7
97.10182	0.2
99.04465	0.7
99.08131	0.2
103.05469	2.4
105.07030	29.5
106.07352	0.7
107.04953	21.3
107.08601	0.5
108.05253	0.3
109.06490	0.5
109.10157	0.9
115.05449	2.6
118.04160	1.0
119.04910	0.6
119.08576	2.0
121.10144	0.3
122.03638	0.2
123.08083	0.4
123.11767	0.3
129.06998	0.2
131.04936	2.0
131.08592	0.3
132.05696	0.5
133.06490	100.0
133.10039	1.4
134.06819	2.6
135.11693	0.6
137.05991	0.7
137.09624	0.6
143.06009	0.5
145.06487	0.3
146.97473	0.2
147.04419	0.4
147.08049	3.1
147.11668	0.9
148.08553	0.2
149.05980	0.5
150.03145	0.2
151.07559	0.5
151.11166	0.3
161.05989	6.3
165.05505	0.7
165.09099	0.3
175.03903	0.3
175.07576	0.7
175.11177	0.2
175.14847	0.5
178.02605	0.9
192.99498	0.7
193.03386	0.2
193.04948	4.6
193.08647	1.4
193.10191	0.2
193.12256	0.7
193.15948	0.9
194.15291	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	193.0496
Annotation	Isoscopoletin
Peak:m/z	Relative Intensity
55.01859	0.2
55.05516	0.2
57.11610	0.1
58.85905	0.1
64.80682	0.1
67.01859	3.2
67.05491	0.3
68.99783	1.4
69.03413	0.2
69.32575	1.4
79.05476	0.6
79.29103	0.1
81.03404	0.6
81.07043	0.4
83.05962	0.1
85.02901	1.9
91.01838	0.4
91.05470	0.9
93.07009	0.2
95.04947	0.6
95.08561	0.2
103.05460	0.5
105.07020	3.0
107.04937	0.3
107.08570	0.2
108.82569	0.1
109.02868	0.5
109.06506	0.3
109.10158	0.4
111.00774	0.1
115.05468	0.7
118.04134	0.3
119.04921	0.5
119.08578	0.5
123.04401	0.3
123.08041	0.3
124.05209	0.2
125.02376	0.1
125.05986	1.8
127.03928	0.9
130.06522	0.3
131.04915	0.2
133.02843	0.8
133.06485	2.6
133.10117	0.5
135.11707	0.2
137.05959	0.5
137.09691	0.2
147.04408	2.1
147.08041	0.2
147.11661	0.2
151.03888	1.2
151.07529	0.2
153.01822	2.9
161.05977	2.1
165.05424	0.4
165.09151	0.2
169.04959	1.5
171.02866	0.3
175.03909	0.4
175.07602	0.2
175.14830	0.2
178.02597	0.3
193.04950	100.0
193.15872	0.5
194.05292	1.8
208.63924	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	193.0496
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
50.87761	0.2
51.02413	0.3
53.03964	0.4
55.05517	0.5
57.55152	0.3
65.03957	0.5
66.04718	0.5
67.05514	1.6
69.03430	0.4
69.07066	0.6
70.39255	1.3
77.03923	0.9
79.05496	2.3
81.03429	0.6
81.07021	1.8
83.04917	0.3
83.08611	0.4
89.03928	0.9
91.05478	4.3
93.07029	1.4
94.04189	1.5
95.04971	1.4
95.08600	0.8
103.05461	0.5
104.24204	0.3
105.03403	1.9
105.07035	3.2
107.04955	0.7
107.08593	0.7
109.06537	0.9
109.10165	0.5
117.03403	0.7
119.08588	2.1
121.02894	0.6
122.03647	8.7
123.08099	0.6
129.06944	0.3
131.08598	0.4
133.02856	54.2
133.10129	3.3
134.03174	0.8
135.04393	0.3
137.05977	15.0
146.97450	0.7
147.08052	0.3
147.11714	2.4
149.02330	1.1
149.05998	3.9
150.03127	5.8
150.06381	0.3
151.11191	0.3
161.02319	0.7
165.05475	5.3
173.58868	0.3
175.11163	0.4
178.02614	30.3
179.02917	0.6
193.04967	100.0
193.15839	1.2
194.05321	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0495
Annotation	Isoscopoletin
Peak:m/z	Relative Intensity
53.03945	0.2
55.01872	0.6
55.05503	0.4
56.85278	0.1
56.96558	0.3
57.03439	0.4
57.07059	0.3
63.02382	0.1
65.03950	0.3
67.01861	4.1
67.05502	0.8
68.99788	2.1
69.03425	0.3
69.07079	0.2
70.06601	0.2
71.04999	0.2
71.57898	0.2
72.93810	0.3
76.02209	0.2
77.03934	0.3
79.05501	1.2
81.03420	0.8
81.07043	1.0
83.04979	0.4
83.08621	0.1
85.02898	1.9
85.06553	0.1
90.94872	0.2
91.01829	0.3
91.05477	3.9
93.07034	0.7
95.04973	1.0
95.08596	0.8
97.06545	0.1
99.04459	0.3
103.05466	0.8
104.05785	0.2
105.03395	0.3
105.07027	9.6
107.04950	6.2
107.08604	0.5
109.02880	0.7
109.06496	0.4
109.10126	0.7
115.05459	0.7
117.07005	0.2
118.04157	0.2
119.04916	0.9
119.08585	1.9
121.06483	0.4
121.10144	0.3
122.03636	0.5
122.06859	0.7
123.04469	0.3
123.08078	0.3
123.11723	0.2
124.05204	0.2
125.05994	1.6
127.03931	0.9
129.07010	0.3
131.04935	0.6
131.08557	0.4
131.68507	0.1
132.05696	0.2
133.02856	3.9
133.06488	27.6
133.10118	4.5
134.06837	0.4
135.08078	0.1
135.11694	0.3
137.05983	1.8
137.09608	0.6
143.03365	0.2
146.97391	0.2
147.04419	2.5
147.06291	0.4
147.08037	1.3
147.11703	0.8
149.02310	0.3
149.05983	0.3
150.03143	0.5
151.03885	1.3
151.07538	0.2
151.11205	0.3
153.01836	3.4
158.02585	0.2
161.06020	1.0
165.05496	0.7
167.02563	0.2
169.04962	1.8
171.02840	0.3
175.03918	0.6
175.07582	0.4
175.11197	0.5
175.14757	0.4
178.02592	2.4
180.74750	0.1
193.04956	100.0
193.12059	1.0
193.15884	0.9
194.05276	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0497
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
53.03934	0.9
55.05506	0.6
56.96555	0.5
57.07063	0.7
59.15783	0.4
67.05496	1.0
68.99782	0.8
69.07054	0.8
70.04473	2.4
70.06578	1.3
71.04961	0.5
77.03934	0.8
79.05496	2.1
81.03400	1.2
81.07047	1.8
83.04993	0.7
83.08611	0.5
85.02872	0.5
89.03903	1.2
91.05487	3.1
93.07018	1.2
94.04182	1.9
95.04956	1.5
95.08613	1.0
95.59066	0.4
103.05455	0.9
105.03386	2.2
105.04519	0.5
105.07027	5.8
107.04916	1.1
107.08559	1.3
109.06504	1.0
109.10156	1.1
111.08035	0.5
115.05414	1.2
117.03383	0.8
119.04948	0.5
119.08570	2.3
121.06501	0.9
121.10175	0.5
122.03645	7.6
122.06844	0.5
123.08039	0.9
133.02852	48.8
133.06493	5.4
133.10092	2.7
134.03218	1.5
135.04478	0.7
135.11674	0.7
137.05971	16.6
137.09560	0.4
147.04483	1.0
147.08031	1.4
147.09094	0.5
147.11647	0.6
149.05995	4.1
150.03140	5.3
151.07555	0.5
161.02365	0.7
161.05994	2.2
165.05492	5.2
165.95627	0.4
175.07541	0.6
175.14795	1.1
178.02608	28.8
179.02873	0.4
193.04961	100.0
193.08508	3.2
193.12270	1.6
193.15878	1.8
193.17586	0.5
194.05316	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.6
53.03938	0.6
55.01879	0.4
58.02477	0.3
61.91529	0.3
68.99785	0.9
69.43814	0.9
69.44225	2.5
71.01358	0.9
77.03924	0.6
78.04713	4.3
79.05487	1.3
81.07043	1.1
84.16614	0.4
89.03916	4.9
90.04710	4.0
91.05476	5.3
93.03378	0.3
93.07050	0.9
95.04955	1.3
98.21462	0.6
102.04681	1.8
103.05466	21.8
104.06255	15.4
105.03397	2.0
105.07037	1.3
106.04163	4.2
106.07359	0.5
114.04659	1.2
115.05460	1.5
117.03378	10.8
118.04179	2.4
119.04937	2.9
121.06479	3.6
126.24272	0.3
130.55669	0.4
131.04927	100.0
132.05710	94.7
132.07776	0.6
132.08879	0.5
133.02853	0.5
133.06429	1.5
133.10124	0.8
134.03651	2.1
134.10454	0.7
135.04430	1.2
145.02850	1.4
146.05992	0.4
146.10484	0.4
147.04402	1.4
149.05988	15.2
159.04393	1.4
160.05194	32.8
161.05904	2.6
163.03934	0.7
163.07550	0.6
167.57941	0.3
174.13631	0.6
175.07545	1.2
177.05469	50.1
192.07809	54.9
192.14694	1.7
192.17509	0.7
193.05074	0.4
193.08192	1.0
203.37354	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0767
Annotation	Carbendazim
Peak:m/z	Relative Intensity
55.81018	0.2
56.96559	0.2
62.73785	0.2
65.03920	0.2
68.49471	0.2
69.07089	0.2
69.80318	1.0
69.80727	0.4
79.05485	0.3
79.25868	0.2
91.05459	0.6
92.04984	0.5
92.05794	0.2
93.07030	0.3
98.20755	0.3
103.05453	0.2
105.04506	0.3
105.07018	0.7
106.06540	1.1
106.07216	0.3
107.06115	0.2
108.08910	0.2
110.07142	0.4
118.06494	0.3
118.07307	0.4
121.06470	0.4
132.05568	3.1
132.08902	1.0
133.02800	0.4
133.06421	1.0
135.05499	0.5
146.05977	0.7
146.06949	0.3
146.10478	0.5
150.96947	0.4
160.05058	100.0
161.05385	1.2
174.13625	0.2
178.02621	0.2
192.07684	15.1
192.14143	0.3
192.17386	1.0
193.04959	1.1
193.07919	0.2
193.10574	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	191.1794
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03939	5.2
55.05516	25.0
56.96556	8.9
57.07066	10.6
63.06403	2.1
65.55345	2.4
67.05223	1.9
67.05509	19.7
69.03425	4.9
69.07071	54.8
71.57951	3.0
79.05489	25.1
80.06303	2.3
81.07061	27.7
83.08621	18.3
91.05486	19.8
91.72109	2.3
93.07046	68.7
94.15705	2.1
95.04957	4.5
95.08610	87.8
96.08936	3.4
97.06515	4.7
97.10163	9.3
99.53255	2.3
103.05450	5.1
105.07033	14.4
106.15885	2.1
107.04955	4.5
107.08591	79.8
109.06509	4.7
109.10158	42.1
117.07013	3.9
119.08566	6.4
121.06458	3.7
121.10143	100.0
123.11733	12.7
131.08569	9.1
133.10115	8.1
135.08055	8.2
135.11682	66.3
145.10149	7.7
147.04443	4.5
147.11719	4.2
148.05220	3.4
149.09618	2.8
149.13251	23.3
155.34305	2.6
160.05086	10.9
163.07527	5.3
163.11182	4.1
163.14908	2.5
173.09615	4.7
173.13278	7.7
178.93343	2.2
191.03322	6.2
191.07057	13.3
191.08946	5.5
191.10651	7.6
191.12636	3.8
191.14311	35.0
191.17952	91.4
192.10094	3.8
192.13818	3.6
192.17441	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	191.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30776	2.3
53.03951	4.4
54.25219	2.6
55.05510	25.4
55.07694	2.5
56.96568	4.8
57.07066	11.0
67.05508	23.4
69.03415	6.2
69.07067	62.2
71.58930	3.7
79.05493	34.9
81.07062	33.7
83.04973	4.6
83.08599	20.9
91.05486	21.5
93.07042	73.7
95.04968	6.8
95.08603	92.3
97.10152	10.6
103.05449	6.4
105.07026	21.5
107.04910	4.8
107.08590	79.9
109.06544	5.2
109.10148	55.5
111.11744	3.5
117.07011	4.1
119.04905	3.2
119.08572	10.5
121.06559	5.8
121.10143	100.0
123.11711	8.6
131.04895	4.5
131.08571	7.6
132.05733	3.8
133.06418	3.6
133.10127	6.4
135.08116	7.3
135.11682	69.8
142.67924	2.8
145.10129	10.0
146.05959	3.9
147.11682	5.6
148.05220	3.8
149.01173	3.5
149.13264	20.3
158.10901	4.2
160.05052	13.3
162.99908	2.6
163.03918	3.7
163.07582	6.6
163.11230	3.4
163.14816	4.6
173.09639	4.5
173.13281	5.6
191.03270	4.6
191.07040	12.2
191.09018	3.6
191.10675	8.6
191.14310	41.4
191.17952	89.6
192.06421	3.1
192.10211	7.3
192.17462	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1794
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
55.05510	17.8
57.07068	4.4
62.66167	2.9
67.05508	16.1
68.05020	3.8
69.03387	3.3
69.07066	51.4
69.98863	18.1
78.82368	3.3
79.05486	21.6
81.07047	25.5
83.04958	4.3
83.08614	16.4
83.93143	3.3
91.05489	16.4
93.07046	59.5
95.04983	4.3
95.08606	87.0
97.10163	10.6
105.07014	15.2
107.04973	3.5
107.08594	76.7
109.10150	42.2
117.06991	4.2
119.08588	7.0
121.07699	3.5
121.10139	99.4
123.11706	10.1
125.62893	3.2
131.08569	8.9
133.10117	5.2
135.11687	70.1
145.10141	5.6
147.11711	6.8
149.08247	3.8
149.13295	18.2
160.05124	4.2
173.13287	14.1
191.09091	5.5
191.10809	5.1
191.14354	23.2
191.17940	100.0
191.19608	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	191.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.8
55.05492	2.3
56.96571	1.5
57.07065	1.4
67.05499	3.6
69.03426	2.1
69.07061	4.8
71.59341	1.3
75.53597	0.8
79.05494	6.6
80.05006	5.6
80.32474	0.8
81.07027	4.2
83.04979	2.1
90.37376	1.0
91.05480	6.1
93.07026	5.7
94.06639	1.0
95.04980	1.3
95.06119	1.2
95.08626	3.7
97.06542	1.1
103.05467	0.9
105.07044	4.1
107.04927	2.0
107.06094	2.8
107.08602	7.9
109.06528	2.7
109.07639	1.6
109.10137	4.4
117.07060	1.6
117.43896	0.8
119.08600	3.2
121.06560	1.6
121.07657	8.2
121.10132	6.1
122.08408	100.0
123.08192	1.5
123.09196	35.3
123.11677	1.3
131.05003	1.0
131.08545	6.3
132.06902	1.3
133.06636	1.3
133.07675	2.6
133.10147	4.4
134.13065	0.8
135.04517	1.1
135.08098	5.4
135.09207	16.4
135.10162	1.1
135.11743	3.3
136.10019	2.7
139.08662	13.7
145.10132	4.9
146.05983	0.9
146.09663	1.0
147.09186	6.6
147.11658	2.3
149.01141	1.4
149.09631	3.1
149.10786	8.8
149.13327	2.0
150.12854	4.1
158.10945	2.5
160.05049	4.5
162.11545	2.2
163.07581	1.2
163.11191	1.6
169.03540	3.7
173.09770	2.7
173.13255	5.2
176.13112	4.9
186.95290	1.3
191.03488	2.4
191.07109	1.8
191.09035	1.9
191.10600	4.5
191.15515	99.4
192.10170	1.6
192.15872	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01866	1.2
55.05508	6.4
57.03429	1.2
57.07077	2.3
59.04985	0.9
65.03920	1.3
67.05506	8.9
67.98896	0.8
69.03127	0.8
69.03436	8.1
69.07072	12.7
70.94747	2.6
71.04994	11.6
76.81564	0.9
79.05495	13.6
81.07056	12.7
83.04974	2.5
83.08617	2.2
85.06543	6.6
91.04901	1.1
91.05476	22.0
93.07044	23.7
95.04981	8.5
95.08603	17.8
97.06528	13.9
103.05477	10.2
105.03359	1.7
105.07031	30.6
107.04947	3.9
107.07867	2.1
107.08598	41.2
109.06525	9.0
109.10159	10.5
111.08087	4.3
115.05446	2.7
116.06144	1.1
117.07024	6.5
118.04164	1.5
118.07824	1.0
119.08589	13.0
121.06504	4.6
121.10143	32.6
123.08068	5.7
123.11707	1.1
128.67148	1.0
129.06987	3.4
130.07744	1.1
131.04932	5.6
131.08571	20.9
131.25206	0.8
133.02852	1.6
133.06479	0.9
133.10133	26.4
135.04391	1.1
135.08054	23.5
135.11678	5.9
143.08580	6.0
144.09410	1.3
145.10124	11.3
146.03665	1.0
147.11674	19.2
148.05159	3.6
149.06026	1.4
149.09642	6.9
149.12166	1.6
149.13266	16.2
154.56763	0.9
158.10904	10.7
160.05081	1.9
161.09615	2.1
163.07544	7.5
163.11174	1.7
163.14813	2.0
173.05943	1.3
173.09773	0.8
173.13269	28.2
176.04634	2.5
176.12003	1.1
182.54025	1.0
191.03409	2.6
191.07040	6.8
191.10663	3.4
191.14308	100.0
191.17961	2.8
192.14630	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	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.33181	0.8
53.03942	1.8
55.01862	1.0
55.05515	5.3
56.96590	0.9
57.07060	2.0
57.78740	0.7
59.05006	1.1
62.80203	0.7
65.03932	1.0
67.05172	0.9
67.05504	10.7
69.03429	7.5
69.07065	13.0
70.41079	2.5
71.04993	12.3
71.57507	0.7
79.05489	13.0
81.07056	12.1
83.04971	1.9
83.08607	2.4
85.06541	8.4
91.05478	19.3
93.07047	24.1
95.04983	9.5
95.08608	18.9
97.06532	14.4
98.20805	1.0
103.05473	6.5
105.03411	1.5
105.07034	28.2
107.04981	2.3
107.08594	36.2
109.06505	11.4
109.10152	8.0
111.08091	4.8
115.05446	2.2
116.06207	1.0
117.07004	5.3
118.04145	1.4
119.04935	1.1
119.07795	1.3
119.08580	16.7
121.06492	5.1
121.10144	39.1
122.10463	1.2
123.04395	1.3
123.08068	3.6
123.11721	0.8
129.07008	2.8
130.04147	0.9
131.04916	3.6
131.08571	22.8
132.08873	1.0
133.02817	1.0
133.06526	1.8
133.10129	29.9
135.08058	25.6
135.11681	4.5
143.08533	5.5
144.09300	1.4
145.06456	2.7
145.10126	11.0
147.08089	0.8
147.11690	19.5
148.05157	3.0
149.05948	1.0
149.09627	7.1
149.13260	20.1
158.10905	8.9
160.05051	1.6
161.09631	1.9
163.07515	5.9
163.11179	1.6
163.14861	2.2
173.09691	0.8
173.13271	27.9
176.04662	1.4
176.11996	1.4
191.03407	1.1
191.07014	10.6
191.10692	2.4
191.14307	100.0
191.17946	2.6
192.14639	2.1
201.23410	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01843	1.3
55.05517	9.2
55.20821	1.0
57.03418	3.3
57.07070	3.1
59.11740	1.2
60.72907	1.0
67.05500	9.2
69.03427	38.2
69.07066	10.5
76.91022	1.1
79.05489	22.1
81.07056	25.1
81.25935	1.2
83.04977	9.0
83.08614	3.6
85.06522	2.3
91.05468	12.9
93.07040	14.7
95.04948	3.6
95.08138	1.2
95.08616	11.0
97.06509	1.9
98.20707	2.7
103.05460	2.2
105.06387	1.7
105.07028	20.6
107.04959	11.0
107.08591	53.4
109.06506	3.0
109.10154	14.3
109.73692	1.1
117.07020	3.6
119.08565	13.9
121.06538	6.2
121.10141	34.4
122.07259	3.2
123.08040	4.7
129.06941	2.5
130.07741	1.9
131.08563	22.5
133.10127	100.0
135.08060	11.1
135.11670	8.5
137.09612	14.0
143.08563	8.1
144.09288	3.1
145.10124	15.7
147.11691	7.8
149.09621	8.5
149.13246	25.1
152.98502	1.2
158.10919	15.3
163.14812	7.4
173.11740	2.5
173.13260	52.3
174.13622	1.6
191.14294	66.5
192.14644	1.4
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	Unknow
Peak:m/z	Relative Intensity
53.03935	2.3
55.01882	5.4
55.05513	4.9
57.03418	1.9
57.07071	2.6
62.09361	1.0
67.05187	0.9
67.05508	13.0
69.03426	8.6
69.07071	16.7
69.39456	5.3
69.39886	5.3
71.04976	4.6
75.65173	0.9
79.05494	14.5
81.07062	12.4
83.04967	4.3
83.08604	3.0
85.06530	2.6
91.05481	20.8
93.06477	1.6
93.07043	24.9
95.04973	10.1
95.08607	13.6
95.63756	0.9
97.06537	5.0
98.21448	2.0
103.05471	8.5
105.04463	1.1
105.07027	25.2
107.04961	4.3
107.08596	37.4
109.06519	21.2
109.10155	34.3
115.05450	2.9
116.06230	1.5
117.07024	8.4
118.04179	1.3
119.06087	1.3
119.08586	11.0
121.06513	14.9
121.10148	18.8
123.04403	2.9
123.08067	8.3
129.06990	2.5
130.07791	1.3
131.04910	11.9
131.07593	1.8
131.08571	34.6
133.02870	1.4
133.06493	1.7
133.10133	22.8
135.08052	52.1
135.11682	8.7
137.09599	2.9
143.08531	6.4
144.05707	1.3
144.09352	2.2
145.06493	2.6
145.10117	16.9
147.08043	4.3
147.11688	20.5
148.05156	2.7
148.08794	2.6
148.12050	1.3
149.05989	9.5
149.09601	12.9
149.13252	13.7
150.10359	2.8
158.10907	8.8
161.09668	5.0
162.10315	1.6
163.07584	5.2
163.11160	2.2
163.14815	2.8
173.09621	4.7
173.13271	37.4
176.04666	1.3
176.11916	3.2
184.70828	1.2
191.07051	3.7
191.10736	8.2
191.14305	100.0
192.14638	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	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03937	5.1
55.05509	9.6
57.03423	4.0
62.12590	3.3
67.05499	21.7
69.03434	23.0
69.07058	14.5
70.75266	11.7
71.05015	4.4
79.05508	28.4
81.07044	29.9
83.04969	14.1
83.08597	5.5
91.05479	27.1
93.07027	25.1
95.04951	8.2
95.08588	11.5
97.06509	4.1
97.37298	3.9
103.05438	5.2
105.07030	40.4
105.19374	3.6
107.04962	9.2
107.08592	69.7
109.06526	20.2
109.10150	52.3
115.05474	3.6
116.59510	3.5
117.07019	8.4
119.08572	21.1
121.06503	5.2
121.10141	36.0
123.08060	14.8
129.06953	6.6
131.08557	39.8
133.10123	100.0
135.08052	49.4
135.11688	11.6
137.09642	15.8
143.08549	8.4
144.09299	4.1
145.10121	16.3
147.11687	11.8
149.09612	11.0
149.13257	23.0
158.10909	14.8
161.09698	7.4
163.14886	4.4
173.13252	53.2
178.81613	3.8
191.07101	3.3
191.14297	80.7
198.74570	4.1
211.43327	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	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03953	0.6
55.01861	1.6
55.05519	3.8
55.05740	0.9
57.07071	1.5
61.90082	0.6
67.05484	2.6
68.55286	0.5
69.03427	11.5
69.06783	0.6
69.07069	6.0
69.82545	0.5
71.04993	0.6
71.33221	0.6
79.05482	4.7
81.07053	5.7
83.04982	10.0
83.08608	1.5
85.06550	0.6
91.05467	6.7
93.07040	6.2
95.04966	3.2
95.08591	4.4
97.06513	2.7
103.05486	3.1
105.07022	8.8
107.04961	2.9
107.08592	18.0
109.06521	3.3
109.10167	1.4
115.05451	0.8
117.07034	1.7
119.04954	0.7
119.08588	6.4
121.06493	5.2
121.09319	1.1
121.10138	13.8
123.08074	2.8
129.06996	1.1
131.04915	2.5
131.08556	8.4
133.06470	0.8
133.10121	10.3
135.08044	11.1
135.11688	2.4
140.81052	0.6
143.08551	3.4
145.06526	0.6
145.10118	5.4
147.08049	0.8
147.11690	5.4
148.05144	1.6
148.08810	1.0
149.09616	5.6
149.13246	5.1
158.10880	6.2
161.09616	5.5
163.07564	2.8
163.11169	0.7
163.14818	2.1
173.13251	13.0
176.04671	0.9
176.11974	2.0
191.06990	2.5
191.14304	100.0
192.14644	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.7
55.05497	7.2
55.95127	2.1
67.05486	10.0
69.03419	20.9
69.07059	10.1
71.14117	2.7
71.14444	5.3
79.05492	28.7
81.07052	20.0
83.04974	7.3
83.08611	3.8
85.06525	2.6
91.05494	20.2
93.07040	16.1
95.04956	7.3
95.08601	11.4
97.06514	5.1
103.05470	5.1
105.01879	2.2
105.07024	34.1
107.04930	7.9
107.08591	45.9
109.06481	5.4
109.10153	12.6
111.08101	2.7
115.05459	2.8
117.06979	6.0
119.08573	16.8
121.06523	11.6
121.10121	27.2
122.07341	2.4
123.08067	9.2
129.07007	2.9
131.04901	5.8
131.08568	30.3
132.05701	4.7
133.10129	100.0
134.10538	2.4
135.08075	15.1
135.11685	6.7
137.09607	9.6
143.08568	9.9
144.09367	3.6
145.10094	14.6
147.08064	3.0
147.11688	11.3
148.08760	2.3
149.09616	5.5
149.13255	15.0
158.10893	11.9
163.07538	6.6
163.14838	4.8
173.13260	35.4
176.04688	3.9
191.07031	6.0
191.14310	63.5
206.87799	2.2
213.12201	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	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.1
55.01863	2.8
55.05511	4.9
57.07061	3.0
60.61765	1.0
65.03896	0.9
67.05502	5.7
67.28659	1.0
69.03428	13.9
69.07056	8.1
70.74580	3.3
71.04981	2.8
76.89110	0.9
79.05491	8.2
81.07046	7.8
83.04977	10.7
83.08601	1.8
85.06545	3.3
91.05482	16.9
93.07047	11.7
95.04980	3.2
95.08607	8.9
97.06537	6.1
103.05450	6.7
105.07038	21.4
107.04916	1.8
107.08596	31.7
109.06532	5.1
109.10166	4.5
111.08040	1.2
115.05466	7.4
117.07010	15.9
119.08576	13.1
121.06501	7.5
121.10148	19.7
123.04425	8.9
123.08038	4.5
128.06166	1.1
129.07005	4.2
131.04924	6.4
131.08572	28.7
132.05630	1.3
133.06537	1.4
133.09125	1.6
133.10132	31.0
135.08060	18.9
135.11691	4.7
137.09645	1.5
143.04938	1.7
143.08582	9.0
144.09331	2.9
145.06487	15.6
145.10126	16.0
147.08072	2.2
147.11687	8.8
148.08757	1.1
149.05972	3.9
149.09636	7.4
149.13277	11.0
158.10910	12.4
159.04500	1.1
161.06000	2.1
161.09692	5.3
161.13274	1.2
163.07506	6.9
163.11209	3.1
163.14827	4.3
173.05954	3.0
173.13274	28.0
176.04631	3.0
176.11938	2.3
178.74953	1.1
187.68083	1.0
191.03606	1.3
191.07040	17.7
191.10713	5.2
191.14310	100.0
192.14697	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.4
53.56498	1.4
55.01857	2.1
55.05513	8.1
57.03429	2.2
57.07069	2.2
59.04996	2.4
67.05505	10.1
69.03436	9.5
69.07063	11.1
70.05294	6.1
70.12418	1.4
71.04991	2.9
72.20914	1.8
79.05481	13.4
79.52488	1.9
81.07059	14.9
83.04983	10.1
83.08619	4.8
85.06532	3.1
91.05482	27.1
93.07039	24.0
95.04943	10.6
95.08604	15.1
97.06532	8.5
97.15121	2.1
103.05502	4.9
105.07030	48.8
106.06564	14.2
107.04972	3.2
107.08592	50.2
109.06511	10.1
109.10159	9.1
111.08040	1.7
115.05421	3.2
117.07010	10.7
118.07845	1.8
119.08577	21.6
121.06504	16.1
121.10143	34.1
123.04466	2.8
123.08072	11.5
129.06992	6.0
130.07771	2.8
131.04941	3.2
131.07590	2.6
131.08569	50.6
132.08871	2.7
133.06557	1.6
133.10132	100.0
134.10413	2.4
135.08047	22.4
135.11705	3.8
136.08900	1.8
143.08551	12.3
144.09357	4.7
145.06505	5.5
145.10106	25.8
147.08150	2.4
147.11703	16.4
148.08786	4.7
149.09633	18.9
149.13268	28.7
156.09393	2.1
158.10921	21.7
163.07532	3.5
163.11168	4.9
163.14865	4.2
173.13271	64.5
174.13611	1.9
191.07033	4.5
191.14334	90.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03939	2.9
55.01864	3.3
55.05492	6.0
57.07055	2.1
67.05487	6.7
69.03409	3.6
69.07070	11.5
71.04977	2.9
71.15408	3.0
72.41042	1.5
79.05490	19.8
81.07066	9.1
83.04974	3.1
83.08607	6.3
85.06516	2.3
91.05476	25.3
93.07044	22.5
95.04951	6.7
95.08602	10.4
97.06537	4.4
103.05457	6.3
105.06384	2.9
105.07034	38.3
106.07451	1.9
107.04893	1.7
107.08589	100.0
109.06499	6.2
109.10104	3.7
117.07021	8.0
119.08584	29.5
121.06499	19.2
121.09304	3.1
121.10138	33.5
123.08036	3.7
124.40007	1.9
129.07010	4.4
130.17065	1.7
131.00854	1.5
131.04919	4.9
131.08565	35.5
133.08501	1.6
133.10114	35.5
135.08052	10.5
135.11650	12.6
143.08540	9.1
144.09261	2.9
145.06471	5.6
145.10132	20.5
146.05988	4.2
147.11688	7.5
148.05141	2.5
148.07579	5.2
149.05986	2.1
149.09595	5.3
149.13248	12.2
158.10901	14.9
161.09496	1.7
161.13231	2.5
163.07507	3.1
163.11145	2.5
163.14868	10.1
167.05460	2.4
173.04346	2.1
173.05960	1.9
173.13255	46.4
174.13609	2.0
181.65179	1.7
191.03481	2.4
191.05420	2.4
191.07037	7.1
191.10657	3.4
191.12787	3.6
191.14301	66.2
191.16057	3.4
194.15074	1.5
200.55139	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.09175	1.4
53.03950	2.7
55.01874	14.3
55.05520	9.8
57.03447	1.6
57.07075	5.3
58.79100	1.1
62.21605	1.0
65.03925	1.3
67.05507	17.0
69.03429	7.6
69.07076	9.9
69.25309	7.2
69.25746	6.0
71.04987	4.5
73.77451	1.1
79.05495	50.7
81.07053	30.8
83.04987	14.7
83.08619	5.6
90.00733	1.1
91.05482	31.9
93.07045	42.6
95.04997	9.9
95.08609	24.3
97.06542	7.1
97.10133	1.5
98.21500	2.7
105.07032	22.3
107.04977	7.9
107.08596	46.8
109.06536	11.2
109.10137	4.9
111.08054	2.6
115.05460	1.9
117.07028	13.0
119.08589	14.1
121.06534	8.2
121.10150	28.7
123.08076	4.2
125.09665	1.3
129.07002	2.8
130.07755	1.4
131.08572	39.2
133.06509	1.4
133.10135	10.7
135.08052	25.5
135.11711	6.5
137.09601	2.4
143.08531	2.3
145.10126	18.9
146.10384	1.6
147.07944	1.3
147.11682	13.7
149.09625	32.0
149.13251	7.2
158.10890	1.9
160.05058	4.0
161.09631	1.5
163.11162	4.0
163.14830	13.2
173.09682	3.0
173.13275	28.5
191.07013	2.5
191.08972	2.2
191.10645	8.5
191.14310	100.0
192.14616	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75729	0.8
53.64408	0.7
55.01857	0.8
55.05499	3.4
57.07070	1.1
60.50445	0.7
67.05497	2.3
69.03432	9.4
69.07066	3.7
69.71974	4.6
74.68050	0.7
78.93925	0.7
79.05486	3.4
81.07053	3.2
83.04979	6.6
83.08585	1.1
91.05489	4.8
93.07040	3.8
95.04966	1.3
95.08581	4.1
97.06506	1.5
103.05447	1.0
105.07040	6.3
106.29836	0.9
107.04967	1.5
107.08593	16.3
109.06512	2.1
109.10139	1.0
112.15714	0.7
115.05399	0.9
117.06987	1.3
118.04145	0.9
119.08588	4.1
121.06517	4.0
121.10155	7.6
123.08069	1.8
129.07011	0.9
131.08559	7.3
133.10139	6.9
135.08044	8.4
135.11722	2.1
143.08533	2.4
143.32782	0.8
144.09294	0.8
145.10129	4.1
147.08034	1.0
147.11676	4.3
148.05180	1.4
149.09616	3.7
149.13234	3.1
158.10876	4.8
161.09634	4.2
163.07559	1.4
163.14775	1.3
173.09535	0.8
173.13298	9.0
176.11961	1.5
191.06943	1.7
191.14302	100.0
192.14595	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
55.01866	4.0
55.05514	7.4
57.03429	1.7
57.07058	3.5
59.04983	2.3
59.73712	1.7
65.03947	3.2
66.04723	1.8
67.05499	26.1
69.03421	9.0
69.07063	12.6
70.74383	5.5
71.04982	12.9
75.31296	1.5
79.05488	24.2
81.07050	18.7
83.04951	6.3
83.08604	7.2
85.06523	4.9
91.05470	27.9
93.07041	26.6
95.04948	16.7
95.08607	21.0
97.06548	7.3
102.04655	1.7
103.05460	20.8
105.03362	3.8
105.07021	36.4
107.04942	7.0
107.08585	45.4
109.06519	20.5
109.10150	67.2
110.10468	2.1
111.08071	3.0
115.05455	5.2
117.07011	10.9
118.04137	6.6
119.04926	4.1
119.08570	15.6
121.06508	9.3
121.10137	32.3
122.07112	1.6
123.08032	14.0
129.06989	5.5
130.04144	4.4
130.07784	2.9
131.04921	8.9
131.06992	1.7
131.08563	45.0
132.05702	3.2
133.02852	4.4
133.06441	4.5
133.10130	20.7
135.04388	1.9
135.08041	74.6
135.11693	12.7
136.08780	1.9
137.09590	1.8
143.08546	6.8
145.06387	3.7
145.10100	17.7
147.04376	1.6
147.08047	3.4
147.11649	11.2
148.05186	12.0
148.08798	3.8
149.05968	2.4
149.09592	16.5
149.13225	10.2
150.10417	3.1
156.09518	2.0
158.10895	9.3
160.05118	3.1
161.09607	4.0
163.04004	2.1
163.07541	15.4
163.11208	4.3
163.14748	4.2
173.05864	2.8
173.09688	2.6
173.13248	43.8
173.15535	1.8
176.04662	7.1
176.08353	2.0
176.12004	2.4
191.03380	3.8
191.05341	2.7
191.07013	23.1
191.08720	2.3
191.10585	12.9
191.14297	100.0
191.17863	7.8
192.14691	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03946	8.3
53.93320	1.5
55.01855	4.4
55.05513	13.4
57.03433	2.1
57.07056	4.3
65.03922	4.0
67.05508	11.0
69.03430	50.0
69.07075	14.6
69.56286	5.7
69.56707	5.5
77.03913	1.9
79.05490	90.2
81.03403	3.1
81.07053	80.2
83.04984	20.8
83.08587	4.1
85.06524	4.0
89.92487	1.4
91.05478	40.0
93.07043	35.6
93.07884	1.7
95.04966	14.4
95.08604	14.8
97.06510	5.7
101.29613	1.6
103.05477	10.7
105.03352	2.0
105.04504	2.4
105.07029	34.8
107.04957	44.7
107.08591	100.0
109.06513	11.2
109.10158	12.1
111.08070	4.1
115.05444	3.4
116.06219	1.8
117.07040	7.7
118.04148	2.9
119.04907	3.6
119.06091	1.4
119.08557	14.1
120.05744	1.5
121.06496	20.3
121.10140	25.6
122.07264	4.1
123.08045	4.5
129.06984	3.3
130.04169	2.1
130.07799	3.0
131.04918	5.0
131.08565	21.8
132.05762	2.1
133.02832	2.8
133.06505	3.1
133.10132	59.7
135.08057	21.5
135.11702	8.1
136.08754	2.3
137.09619	20.2
143.08562	7.8
145.06448	2.5
145.10129	14.4
147.11641	11.2
148.05176	6.2
149.09628	10.1
149.13261	15.9
150.10466	1.7
158.10939	8.0
160.05162	1.7
161.09621	4.0
162.06778	1.8
163.07516	16.9
163.14803	3.4
173.09639	2.1
173.13260	27.3
176.04703	2.7
191.03362	2.2
191.07007	15.3
191.10687	2.6
191.14301	81.2
192.14749	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.0
53.93963	0.9
55.01870	1.7
55.05511	10.0
57.03442	2.6
57.07074	2.4
59.86914	0.7
65.03922	1.1
67.00800	0.7
67.05505	10.1
69.03429	30.3
69.07069	14.5
69.07421	1.4
70.88129	1.5
71.04994	2.1
72.95520	0.7
79.05492	30.6
81.03429	1.6
81.07057	21.8
83.03322	0.7
83.04978	12.5
83.08617	2.6
85.06554	2.6
91.05482	18.6
93.07042	18.7
93.07632	1.3
95.04972	4.6
95.08609	9.7
97.06514	3.8
103.05491	4.9
103.44285	0.7
105.03410	0.7
105.07029	29.1
107.04961	11.4
107.08594	65.7
109.06514	6.1
109.10160	13.1
111.08106	0.9
115.05455	2.7
116.06239	1.1
117.06998	5.0
118.04201	1.7
118.07836	1.1
119.08582	14.3
121.06502	13.0
121.10142	33.5
122.07294	2.8
122.10480	0.8
123.08080	5.4
123.11703	0.9
128.06120	1.3
129.07005	3.3
130.07780	2.5
131.04919	2.3
131.07025	1.1
131.08574	24.7
133.10130	100.0
133.34752	0.7
134.10493	1.1
135.08052	14.2
135.11688	7.4
135.40204	0.7
136.08788	1.2
137.09616	12.4
143.08546	8.2
144.09349	2.3
145.06464	0.9
145.10117	18.8
147.08031	1.6
147.11703	10.6
148.05238	2.3
149.09618	8.7
149.13258	20.8
158.10912	15.1
161.09581	3.8
163.07567	2.7
163.11150	1.2
163.14806	5.8
171.11682	1.0
173.09602	1.4
173.13268	38.5
176.11971	1.7
191.06981	3.0
191.10680	3.4
191.14307	76.3
192.14630	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0702
Annotation	Oospolactone
Peak:m/z	Relative Intensity
53.03936	4.5
55.01867	4.8
55.05493	4.9
56.96561	4.5
57.07067	1.5
65.03931	1.9
67.05511	7.7
69.03432	10.7
69.07066	11.4
69.26122	6.1
69.26550	9.0
71.04962	1.7
79.05496	22.3
81.03404	4.8
81.07061	14.0
83.04968	5.6
83.08613	1.8
90.04669	2.7
91.05481	28.9
91.21190	1.4
92.06247	3.1
93.07047	22.7
95.04970	10.0
95.08608	10.0
96.62424	1.3
97.06508	3.4
97.10164	1.6
102.04690	6.1
103.05466	36.9
105.03388	11.4
105.04507	2.1
105.07035	26.1
105.07700	2.9
107.04965	13.4
107.07878	1.7
107.08599	30.9
109.06509	6.0
109.10153	5.9
115.05451	5.3
117.03359	2.6
117.07010	7.3
118.04182	10.0
119.04947	21.0
119.08595	8.4
120.05746	8.9
120.08105	1.6
121.06508	17.4
121.10140	18.2
123.08092	2.7
129.07034	2.5
130.04156	4.6
130.07805	1.9
131.04031	2.0
131.04939	24.0
131.08562	13.7
132.05721	23.6
133.02852	16.5
133.06534	10.4
133.10155	13.6
134.99626	2.5
135.04449	2.2
135.08066	16.1
135.11649	7.0
143.08571	3.8
145.06477	3.3
145.10117	13.6
146.03625	3.8
146.06058	2.5
147.04414	12.0
147.08029	2.3
147.11690	15.7
148.00188	1.4
148.05194	57.4
149.05867	2.3
149.09630	5.6
149.13220	8.6
158.10873	3.9
159.04381	1.9
160.05176	13.2
161.05927	2.6
161.09627	5.3
163.07544	96.1
163.11185	6.2
163.14772	2.5
164.08070	1.6
170.54373	2.3
173.05910	1.9
173.09660	2.6
173.13246	12.5
176.04704	19.4
176.11945	1.6
186.16696	1.6
189.06981	2.3
190.07759	2.3
191.03409	4.9
191.07030	100.0
191.08543	5.7
191.10551	10.7
191.14302	76.3
191.17967	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	191.0702
Annotation	1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid
Peak:m/z	Relative Intensity
51.02380	1.0
53.03929	2.0
55.01852	2.6
55.05494	1.8
55.27350	0.8
56.96549	2.5
57.07066	0.9
59.45462	0.9
64.59201	0.8
67.05489	2.2
67.34992	0.8
69.03413	2.3
69.07059	2.3
71.02894	1.9
74.36745	0.7
77.03920	1.1
79.05479	3.2
81.03397	2.6
81.07046	2.2
83.04965	2.2
85.06529	0.9
91.05476	14.0
93.07052	4.1
95.04944	2.9
95.08592	2.3
100.62327	0.8
102.04665	1.1
103.05463	23.2
104.05722	1.1
105.03402	2.0
105.07037	7.7
107.04934	2.3
107.08594	5.6
109.02876	0.8
109.06506	2.6
109.10133	0.9
115.05451	31.9
116.06250	1.4
117.07016	66.0
117.61608	0.8
118.04112	1.6
118.07342	1.9
119.04929	0.9
119.08543	3.6
121.06498	5.0
121.08434	1.0
121.10126	3.0
123.04427	59.5
123.08099	1.0
127.05431	1.3
130.04094	1.6
131.04930	34.9
131.08562	12.3
132.05713	0.8
133.06477	2.9
133.10103	4.0
135.04434	1.1
135.08063	4.1
135.11700	1.5
143.04912	13.3
143.08485	1.8
145.06482	100.0
145.10098	7.1
146.06812	2.6
147.04407	9.8
147.11661	1.6
148.05209	4.6
149.05978	28.5
149.09593	3.9
149.13269	1.4
155.04906	1.7
155.06042	3.6
158.10913	1.4
159.04352	1.1
160.05112	2.4
161.01813	0.8
161.05963	5.3
163.03903	7.4
163.07544	36.5
163.11162	1.6
169.03313	0.8
172.99651	0.8
173.05980	24.2
173.09372	1.7
173.13197	5.1
175.01523	0.9
176.04694	9.0
189.01250	1.7
191.07024	76.2
191.10579	5.4
191.14299	16.6
192.07321	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.0
53.03929	2.0
55.01852	2.6
55.05494	1.8
55.27350	0.8
56.96549	2.5
57.07066	0.9
59.45462	0.9
64.59201	0.8
67.05489	2.2
67.34992	0.8
69.03413	2.3
69.07059	2.3
71.02894	1.9
74.36745	0.7
77.03920	1.1
79.05479	3.2
81.03397	2.6
81.07046	2.2
83.04965	2.2
85.06529	0.9
91.05476	14.0
93.07052	4.1
95.04944	2.9
95.08592	2.3
100.62327	0.8
102.04665	1.1
103.05463	23.2
104.05722	1.1
105.03402	2.0
105.07037	7.7
107.04934	2.3
107.08594	5.6
109.02876	0.8
109.06506	2.6
109.10133	0.9
115.05451	31.9
116.06250	1.4
117.07016	66.0
117.61608	0.8
118.04112	1.6
118.07342	1.9
119.04929	0.9
119.08543	3.6
121.06498	5.0
121.08434	1.0
121.10126	3.0
123.04427	59.5
123.08099	1.0
127.05431	1.3
130.04094	1.6
131.04930	34.9
131.08562	12.3
132.05713	0.8
133.06477	2.9
133.10103	4.0
135.04434	1.1
135.08063	4.1
135.11700	1.5
143.04912	13.3
143.08485	1.8
145.06482	100.0
145.10098	7.1
146.06812	2.6
147.04407	9.8
147.11661	1.6
148.05209	4.6
149.05978	28.5
149.09593	3.9
149.13269	1.4
155.04906	1.7
155.06042	3.6
158.10913	1.4
159.04352	1.1
160.05112	2.4
161.01813	0.8
161.05963	5.3
163.03903	7.4
163.07544	36.5
163.11162	1.6
169.03313	0.8
172.99651	0.8
173.05980	24.2
173.09372	1.7
173.13197	5.1
175.01523	0.9
176.04694	9.0
189.01250	1.7
191.07024	76.2
191.10579	5.4
191.14299	16.6
192.07321	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1259
Annotation	EPTC
Peak:m/z	Relative Intensity
50.99076	1.0
51.95120	0.8
55.05495	1.8
56.96555	1.3
57.07074	27.8
59.99104	4.6
62.99053	1.0
67.05492	2.3
67.05828	0.9
69.03444	0.7
69.07073	0.9
71.58528	1.3
78.00150	49.7
79.05490	2.6
81.07031	1.9
83.08612	1.0
84.08140	1.8
86.09702	11.6
90.49026	0.7
91.05492	4.2
92.01719	1.6
92.05781	0.9
93.07027	2.6
95.04968	1.0
95.08588	3.1
96.08898	0.8
103.05458	4.2
104.04281	0.8
105.07008	3.3
106.07333	1.7
107.04977	1.0
107.08575	3.7
107.27330	0.8
109.06467	1.0
109.10162	2.3
110.07156	1.0
115.05423	1.0
117.07005	1.7
118.06500	1.4
119.04957	1.3
119.08570	2.3
120.08924	1.5
121.02892	1.0
121.06503	0.9
121.10120	2.8
130.04169	1.1
130.06509	4.5
131.04909	2.0
131.08591	1.7
133.10147	2.3
134.06345	53.3
134.10464	1.3
135.06697	0.7
135.08031	2.4
135.11716	1.7
144.08081	2.9
145.06512	1.4
145.10153	2.5
146.05981	2.7
147.04393	3.9
147.11694	1.4
148.05185	1.4
148.07877	3.1
149.02306	1.7
162.05399	1.1
163.07472	2.5
163.11247	1.1
167.59305	0.9
170.20891	0.9
172.12144	1.0
173.13174	1.1
174.05464	2.1
175.03876	2.1
175.06285	2.2
176.04657	1.6
190.06194	3.1
190.08661	13.4
190.12593	100.0
191.07002	2.9
191.08569	0.9
191.10616	1.3
191.12894	1.8
191.14323	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	190.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.0
53.49334	0.4
55.05513	2.1
55.41694	0.4
65.03934	2.2
66.04726	1.0
67.04247	2.7
67.05515	3.4
69.07072	0.7
69.60920	3.2
79.05494	30.1
80.05009	1.8
81.07058	100.0
82.06581	60.6
82.07387	1.5
83.06891	0.6
91.05486	2.1
91.12720	0.4
93.07074	2.0
94.06575	2.6
95.04972	1.9
95.07348	0.4
95.08628	0.5
96.22859	0.4
103.05486	0.7
105.05729	0.4
105.07044	1.7
106.06570	1.3
107.07335	0.8
107.08609	0.9
108.08115	1.4
110.06043	28.3
117.07041	0.9
118.06552	4.6
119.07327	2.6
119.08583	1.0
120.08103	6.5
121.10200	0.4
122.05991	0.4
130.06523	0.5
130.07790	0.5
131.08525	0.6
132.08092	12.6
133.08902	3.2
134.09669	1.4
135.08104	0.5
145.10114	0.7
146.06056	1.4
146.09671	1.2
146.12766	0.4
147.10451	2.1
149.02365	1.1
160.07547	0.9
160.11273	1.2
162.12781	9.2
163.13121	0.4
174.05588	0.9
175.06244	0.8
184.49101	0.5
190.04951	0.6
190.08626	4.6
190.12263	13.5
191.03334	0.4
191.12830	0.4
191.14404	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.086
Annotation	3-Indolepropionic acid
Peak:m/z	Relative Intensity
53.03941	0.6
55.01867	0.4
55.05513	0.9
55.51164	0.3
56.05030	0.9
56.96562	2.1
58.06583	0.8
60.05647	0.3
67.05492	0.8
67.50149	0.3
68.05033	0.5
69.03448	0.6
69.07066	1.3
70.06585	5.1
71.56898	0.5
72.08154	2.2
74.06083	0.6
75.05579	0.4
78.63889	0.3
79.05495	2.1
81.07070	0.4
82.06569	1.6
83.04969	2.7
84.04520	0.3
84.08136	1.8
84.11273	0.3
86.09707	3.7
87.04532	0.3
87.05610	0.3
87.09495	0.6
87.10007	2.8
91.05477	1.8
93.07024	0.6
94.06623	0.4
95.04989	0.7
95.08561	0.3
97.02863	0.6
98.06057	1.4
98.97607	0.8
99.05588	0.3
100.07620	0.4
103.05466	6.6
105.04529	0.4
105.07019	0.6
106.06572	0.9
107.04966	1.8
109.10132	0.7
110.07153	0.7
111.08101	0.3
112.07621	0.4
114.06655	0.4
115.05443	1.2
116.07091	1.0
116.98630	0.5
117.05776	0.8
117.07002	2.2
118.06545	7.5
119.04942	0.4
119.06808	0.4
120.04555	0.3
120.08123	4.3
120.08920	0.6
121.06473	0.6
124.11227	2.0
126.12785	5.2
128.04938	0.5
129.06940	0.6
129.07912	0.3
130.06491	1.0
131.04922	1.5
131.07397	0.3
132.10210	0.3
133.10573	1.0
134.09625	0.4
134.99628	0.8
136.11240	1.3
139.04877	0.4
143.07289	0.8
144.08078	100.0
144.13821	10.7
145.06480	1.0
145.08488	1.6
146.06065	2.0
146.09657	2.6
146.99695	0.4
147.06427	0.4
148.05095	0.4
148.07558	6.1
154.12270	5.9
162.05455	0.8
162.09135	0.8
163.07532	0.4
167.05666	0.6
172.03973	0.4
172.07584	1.2
172.13313	2.1
174.05495	0.8
175.06194	0.5
176.04735	0.6
184.94662	0.3
185.02966	0.5
190.05005	1.5
190.08623	29.5
190.14398	3.3
191.07051	1.1
191.08807	0.6
191.10666	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1637
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03948	2.4
55.05516	12.0
56.96565	4.4
57.07083	2.8
60.23507	2.2
65.12364	1.7
67.05518	14.4
69.03416	2.8
69.07075	14.0
69.74371	1.9
71.58318	1.9
73.81393	1.9
79.05484	7.7
81.07056	37.7
83.08607	3.2
84.04494	6.3
85.04839	6.5
91.05479	27.7
93.07045	15.9
95.04955	3.1
95.08060	3.4
95.08615	47.0
103.05446	2.1
105.07033	71.6
107.08590	22.4
109.10149	11.7
115.05463	2.8
117.07006	4.6
119.08586	100.0
121.02854	2.1
121.10146	13.1
128.06148	3.8
131.08575	12.0
133.06496	3.1
133.10133	86.1
135.11707	2.9
141.07074	2.2
143.08557	4.3
145.10120	9.4
146.10918	4.1
147.08055	5.4
147.11693	50.2
148.12024	1.9
156.09354	7.8
159.11694	5.4
160.12556	2.9
161.05952	3.9
161.09747	2.0
161.13280	20.1
171.11699	9.2
174.05476	2.5
174.10426	4.2
174.14116	3.4
189.05490	2.9
189.09082	5.0
189.12643	15.9
189.16385	89.9
190.04909	2.5
190.08591	9.1
190.16756	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	189.1636
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03941	2.0
55.05507	13.0
56.96564	1.7
57.07070	3.0
57.56573	1.8
60.41935	1.9
67.05508	12.2
69.07073	14.5
71.11413	3.8
79.05489	12.4
81.06583	2.5
81.07053	35.0
83.08601	8.5
84.04488	2.5
84.85190	1.8
91.04979	2.6
91.05482	29.2
93.07038	18.1
95.04926	3.8
95.08606	50.6
103.05491	2.2
105.06287	3.5
105.07027	91.1
107.08589	23.1
109.10134	13.5
117.07008	7.2
119.08577	100.0
120.08893	2.3
121.02789	2.9
121.10139	10.9
123.11700	2.3
128.06236	2.7
129.06949	3.2
131.08578	10.9
133.06458	3.1
133.10129	98.7
134.10445	2.1
135.11687	4.7
143.08540	3.2
145.10110	15.8
146.10844	3.4
147.08043	2.2
147.11685	55.8
148.11940	2.1
156.09297	5.4
159.08170	2.2
159.11713	6.7
160.12402	2.7
161.06050	2.4
161.09618	3.4
161.13255	21.6
171.11719	7.1
172.55693	2.1
173.13220	1.9
174.14018	3.5
181.02689	2.2
189.05417	2.6
189.09137	5.4
189.12630	12.3
189.16386	98.5
190.08612	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	189.1346
Annotation	N(omega)-Methyl-L-arginine
Peak:m/z	Relative Intensity
55.01862	0.5
55.05510	0.9
56.05023	0.7
56.45533	0.4
56.96570	4.7
57.03430	1.3
57.04289	0.8
57.04558	10.3
58.06595	0.8
58.99871	0.4
60.08159	3.6
61.02922	1.1
62.89209	0.4
64.99118	0.4
67.05511	0.8
67.81938	0.4
69.03430	1.3
70.06588	100.0
70.63288	0.7
70.63626	0.7
71.04987	2.5
71.06920	0.6
71.07310	0.4
72.08152	13.7
73.02914	4.2
73.92166	0.4
74.02441	0.4
74.06073	0.6
74.07198	27.7
74.79199	0.4
77.00896	0.7
81.03410	1.2
82.06580	0.5
84.04493	0.5
84.08139	16.0
85.02904	2.6
86.03673	0.9
86.09702	4.6
87.04467	0.6
88.02673	0.6
88.07626	1.2
97.02877	0.9
97.07680	0.8
98.97573	5.3
100.02625	0.5
100.07619	1.6
100.99170	0.9
101.00881	1.7
101.07136	0.9
102.02419	0.9
102.44732	0.4
103.00633	0.7
103.02428	3.2
105.00407	0.4
108.02411	0.5
108.23805	0.4
109.02866	1.0
109.99277	0.5
110.02232	0.4
112.08704	2.8
112.11237	0.4
113.00867	0.5
113.07162	0.6
114.02448	1.0
115.02429	1.0
115.03165	0.4
115.08683	5.3
116.07086	32.5
116.98625	5.6
117.03965	0.8
118.01107	0.6
118.08630	0.4
119.00201	0.9
119.01913	8.8
120.02042	0.8
121.01644	5.0
121.03496	2.3
126.09186	0.9
126.10278	1.4
130.03645	0.5
130.05022	0.5
130.08633	4.7
131.01909	2.2
132.03419	0.8
133.03439	1.4
133.09694	2.7
134.99655	3.2
135.03143	0.5
135.05025	0.5
137.02948	2.5
139.02693	3.4
141.06592	0.4
142.03604	0.5
143.01892	1.4
144.06558	0.5
144.10284	0.9
144.11308	13.6
145.03465	2.9
146.06828	0.5
146.08133	0.7
147.01360	2.0
147.05019	1.6
149.02997	0.9
153.00647	0.5
155.01874	1.2
157.03462	4.4
158.09247	5.0
159.05028	0.7
161.01166	0.5
161.03003	2.6
163.04497	1.3
165.00623	0.6
165.02415	1.0
167.01942	0.9
171.12448	1.0
172.10811	5.5
173.02963	2.8
175.04561	1.0
183.01746	1.1
183.03397	0.4
185.02930	5.1
189.02457	1.1
189.06105	1.6
189.13454	21.3
189.16095	1.2
190.10698	2.0
197.03049	0.4
200.51453	0.5
203.04033	2.3
207.03455	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	2.8
56.96568	19.7
69.03405	7.5
69.99763	6.9
70.00180	4.9
74.97579	2.1
79.05470	5.9
85.02905	11.2
87.00802	3.6
87.02660	2.1
91.05470	14.1
93.07051	2.9
95.04946	3.6
103.05452	3.4
105.07017	26.3
107.04953	17.5
107.08607	3.9
115.05425	5.7
117.06998	7.9
119.06850	2.6
119.07827	2.5
119.08587	28.7
121.06501	2.5
122.03082	2.5
125.63227	2.2
128.06224	14.8
129.03827	4.4
129.06984	13.7
130.07773	7.1
131.04901	2.3
131.08580	10.6
133.06494	12.9
133.10138	12.7
134.02991	3.7
141.07007	16.8
143.03568	3.3
143.08545	18.2
145.06448	3.8
145.10103	21.9
146.07248	4.6
147.04408	4.2
147.06351	3.8
147.08038	11.8
147.11705	17.0
155.08542	7.1
156.08064	4.2
156.09348	83.5
157.06531	4.1
157.09773	4.2
159.08051	7.9
159.11690	19.7
161.05943	3.3
161.09619	11.7
161.13260	3.2
171.06371	4.3
171.11682	93.2
172.11984	3.1
173.09587	2.4
174.06760	11.2
174.10440	12.7
179.02240	2.2
189.05438	4.6
189.09053	18.7
189.12729	100.0
189.16353	3.3
190.13000	3.3
190.93872	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92511	1.7
55.05515	1.9
60.52938	1.7
69.03419	5.3
70.07909	1.8
71.33773	3.9
72.49289	1.7
79.05469	5.4
81.07040	1.7
85.33741	2.0
91.05484	14.5
92.77660	1.9
93.07059	1.8
95.05006	2.2
95.08604	1.9
103.05447	2.6
105.07024	20.5
106.73129	1.7
107.05019	1.5
107.08543	2.2
112.41417	1.7
115.05460	8.0
117.07014	6.7
119.07780	2.6
119.08582	26.1
121.10165	1.9
128.06235	13.3
129.07025	14.9
130.06506	2.0
130.07765	7.9
131.08569	9.1
132.05762	2.5
133.06458	8.2
133.10156	8.5
141.06978	12.4
143.08563	15.3
144.09348	3.2
145.06413	5.0
145.10133	22.8
146.07262	2.0
146.10803	1.7
147.04448	3.2
147.08034	12.1
147.11696	19.7
155.08537	5.5
156.09355	82.1
157.06506	4.0
157.09645	2.9
159.08009	8.4
159.11705	20.3
160.05191	6.2
160.08803	3.4
161.06032	10.1
161.09621	6.2
161.13234	3.5
171.11693	91.9
172.12003	2.9
174.06770	10.2
174.10378	12.3
189.05452	6.5
189.09105	17.6
189.12738	100.0
190.13135	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	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.0
55.01852	3.4
55.05496	4.5
56.96544	4.6
57.86797	1.4
59.05000	1.2
65.03955	1.4
67.05484	4.9
69.03419	9.6
69.07057	2.2
69.46778	10.9
70.06576	4.9
73.02942	1.4
77.50642	1.2
79.05484	8.1
81.03397	1.3
81.07040	5.2
83.04977	4.9
84.08114	1.9
85.02898	7.1
86.09703	4.1
87.00822	2.1
91.04967	2.2
91.05475	24.6
91.67411	1.3
92.05795	1.6
93.07029	5.1
95.04967	7.7
96.05733	3.3
103.05451	4.9
105.07029	42.3
106.45099	1.3
107.04935	5.5
107.08565	5.0
109.02859	1.1
109.06481	2.7
115.05441	8.1
116.05692	7.7
116.07020	1.3
117.07018	9.6
118.06579	7.6
119.04913	1.8
119.06155	1.2
119.06880	16.6
119.08575	45.6
120.08080	3.9
120.08884	2.0
121.06471	5.0
121.10062	2.2
128.06204	22.8
129.06984	17.1
130.06493	1.4
130.07742	6.2
131.04944	7.4
131.08591	14.0
133.06494	12.6
133.10121	22.3
134.99660	1.3
135.08040	3.0
141.06973	11.6
142.07793	2.1
143.04868	1.5
143.06871	11.2
143.08530	24.6
144.07597	6.0
144.09259	1.5
145.06526	8.6
145.08371	5.5
145.10117	16.1
146.05978	6.8
146.07224	8.8
146.10898	2.3
147.04507	2.7
147.06325	22.7
147.08017	27.9
147.11658	20.2
148.08600	2.2
155.06091	1.9
155.08524	2.6
156.09338	51.1
157.06476	3.2
157.09708	1.6
159.08032	17.7
159.11687	10.2
160.08800	6.0
161.05965	6.0
161.09601	30.3
161.13234	13.3
162.05496	3.0
162.10002	1.6
167.00050	1.4
171.06320	33.5
171.07968	6.4
171.11685	51.9
171.13148	2.7
173.09512	2.0
174.03117	1.7
174.05418	1.6
174.06773	14.4
174.10388	25.4
175.06207	1.2
189.05460	6.5
189.07338	13.4
189.09090	28.9
189.12714	100.0
190.04874	1.9
190.08646	3.1
190.13002	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	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.9
57.05031	2.7
67.05506	4.1
69.03418	7.6
69.07049	4.0
70.71518	9.3
79.05486	3.3
81.07062	4.2
91.05475	7.6
93.06997	5.7
98.08165	2.3
105.07027	24.8
107.08537	2.7
108.93278	2.5
115.05422	4.4
117.06969	6.0
119.07793	3.9
119.08575	39.3
121.85812	2.5
128.06175	4.8
129.06998	7.9
131.08539	9.1
133.10150	13.1
141.06993	9.8
143.08548	11.0
145.06578	2.9
145.10109	12.7
147.04384	2.8
147.08052	21.0
147.11684	20.2
156.09352	58.6
159.08054	13.8
159.11717	15.0
160.08829	5.4
161.05951	5.5
161.09592	10.5
161.13264	17.8
171.11668	66.6
172.12062	2.8
174.10413	26.2
189.12737	100.0
190.13123	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	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
53.38340	1.2
55.01872	11.2
55.05494	4.3
57.03431	1.3
60.70539	1.2
65.03927	1.5
67.05506	19.6
69.07064	6.1
69.42626	11.5
79.05496	24.6
81.07059	14.7
83.04976	1.9
83.08569	1.3
85.06493	1.4
91.05479	78.9
92.05811	2.2
93.07046	13.9
95.04955	8.2
95.08591	6.9
97.06492	4.9
98.21482	2.3
103.05468	2.8
105.07028	46.2
107.04958	5.1
107.08589	5.5
109.06539	3.3
115.05454	4.6
117.07034	21.2
119.08578	27.2
121.06492	4.0
121.10116	2.1
123.08096	1.3
128.06238	10.0
129.07007	45.3
130.07745	3.4
131.08563	6.6
133.06551	2.5
133.10136	22.9
135.08034	2.1
141.06949	1.7
142.07729	3.1
143.08562	23.6
145.10123	35.4
146.10477	2.3
147.08022	13.4
147.11681	18.1
147.37032	1.2
156.09334	5.6
159.11658	2.4
161.09642	4.0
161.13243	16.2
169.10074	1.9
171.11691	60.1
172.11989	1.5
174.10481	1.5
189.12730	100.0
189.16257	2.9
190.08626	3.1
190.12962	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	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	7.6
55.05495	6.3
56.96556	4.0
65.03925	3.1
67.05504	21.5
69.07061	8.7
69.75603	2.1
71.58993	3.1
79.05500	20.0
81.07043	15.2
82.06550	2.9
83.04960	3.2
83.08612	3.5
85.04839	2.5
91.05478	77.5
91.84832	2.4
93.07039	15.2
95.04961	7.1
95.08589	13.7
97.06519	3.5
100.56019	2.3
103.05447	4.1
105.07037	57.4
107.04940	6.0
107.08587	7.4
109.10150	4.0
115.05450	7.7
117.07030	19.0
119.04965	2.4
119.07797	3.6
119.08581	43.3
121.02827	4.1
121.06485	5.2
121.10128	4.9
128.06201	9.6
129.07007	39.3
130.07805	4.1
131.08549	12.2
133.06493	6.0
133.10133	34.7
143.08563	25.7
145.10112	36.6
146.05989	4.4
147.08022	10.9
147.11659	22.3
156.08243	2.5
156.09322	12.9
159.08098	2.9
159.11665	5.5
161.09648	7.0
161.13185	13.4
171.11693	55.9
174.10350	3.2
175.06258	2.5
179.09912	2.6
189.05325	3.0
189.09152	8.3
189.12720	100.0
189.16362	17.8
190.08640	8.8
190.13124	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	189.1235
Annotation	H-ILE-GLY-OH
Peak:m/z	Relative Intensity
55.01872	1.6
55.05497	0.8
56.02216	0.5
56.05027	0.7
56.96562	7.2
57.04567	0.4
58.06590	1.3
58.96161	0.4
60.04519	0.7
60.05640	0.4
67.05497	0.5
68.05036	0.4
69.03422	0.6
69.07071	1.7
70.04246	0.7
70.04660	0.9
70.06590	6.1
71.93777	0.3
72.08155	4.2
72.93790	0.3
73.02917	0.4
74.06072	0.5
74.07205	1.0
74.97611	0.4
79.05496	0.4
81.07050	0.3
82.06567	1.0
83.04986	0.9
83.06922	1.1
84.04514	0.5
84.08137	1.5
85.02910	0.6
86.06109	0.3
86.09704	100.0
87.04472	0.6
87.10027	1.6
88.07644	0.3
91.05489	1.1
95.04971	0.7
95.08588	0.4
96.08142	0.7
97.02900	0.4
97.07917	0.4
97.08458	1.7
98.06065	0.7
98.20793	0.3
98.97579	2.6
100.99173	0.5
101.02388	0.3
101.07156	0.4
103.02438	0.4
105.07008	1.3
107.04974	0.9
108.05260	0.3
109.07610	0.3
110.06042	1.3
111.04453	0.5
111.06376	3.3
112.03948	0.5
116.07108	1.2
116.98615	2.9
117.07021	0.4
119.00208	0.5
119.01906	0.7
119.08587	1.3
121.01653	0.6
121.03527	0.5
125.07938	2.9
126.05527	0.5
126.12837	0.7
128.06229	0.5
128.07091	0.5
128.98639	0.4
129.07358	0.4
129.10199	0.4
130.08640	0.6
131.08604	0.4
133.06494	0.6
133.10083	0.5
134.99664	3.9
136.04614	0.5
137.06070	0.4
139.03915	0.6
142.04178	0.3
143.08920	0.6
144.11354	0.6
144.13835	2.4
145.06493	0.4
145.10104	0.4
146.06047	0.5
146.99677	0.5
147.01353	0.4
147.04478	0.3
147.08084	0.6
147.11678	0.4
147.96906	0.3
148.97356	0.3
150.00806	0.3
150.96855	0.6
153.00732	0.9
153.07391	2.3
154.05817	0.4
154.12292	0.7
155.04657	0.3
156.09369	0.8
158.01263	0.3
158.09273	0.3
161.01219	0.8
161.06017	0.7
161.13234	0.4
162.05472	0.3
163.04451	0.4
165.00642	0.6
171.08475	1.2
171.11769	0.9
172.13341	0.6
189.00743	0.6
189.05371	0.5
189.06857	0.4
189.09410	0.9
189.12726	1.2
189.16319	0.4
190.08673	1.1
190.14452	0.6
207.01817	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0909
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
53.03926	0.8
55.01870	1.1
55.05510	1.6
57.03434	4.2
67.05505	1.1
68.99784	3.1
69.03430	0.7
69.69232	1.4
69.69643	3.4
77.03903	0.7
79.05503	2.3
85.02899	21.7
87.00831	5.4
90.04745	0.9
91.05479	26.4
93.07018	1.0
96.14712	0.7
98.20815	1.0
103.05464	3.6
105.01886	1.0
105.03370	3.8
105.07027	11.1
107.04943	7.2
109.02879	0.9
111.00789	1.4
115.05457	3.0
116.06213	1.6
117.07008	2.1
118.04166	6.5
118.07756	0.8
119.04938	11.0
119.08624	1.5
121.06510	11.6
128.06219	19.5
129.07001	44.8
130.07773	1.4
131.04921	8.8
131.08572	4.1
132.05695	1.7
133.02835	12.9
133.06506	3.7
133.10123	2.2
143.08563	1.0
144.05672	4.1
145.06468	5.5
145.10130	0.8
146.03697	1.8
146.07266	17.1
147.04408	2.3
147.08040	3.9
147.11653	0.8
148.05185	100.0
149.05527	1.9
155.06017	1.5
156.09401	1.1
157.06476	22.2
158.07236	2.6
159.04410	1.8
159.08054	1.9
161.05971	29.6
161.09605	33.6
162.09926	0.9
171.02887	0.8
171.11722	0.8
173.06058	0.8
174.06763	16.3
175.07260	0.7
176.71091	0.7
189.05469	2.3
189.09105	35.8
189.12672	1.8
189.16389	1.0
190.06252	1.2
190.09291	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03312	0.2
52.19120	0.2
53.03945	0.3
54.98648	0.3
55.01874	2.0
55.05506	1.0
55.92495	0.2
56.02209	0.5
56.05045	0.3
56.96563	100.0
57.03434	2.7
58.06601	0.4
59.05000	0.4
60.08164	2.2
60.95847	0.3
61.02920	1.5
67.05494	0.6
68.99792	0.3
69.03427	3.7
69.07066	0.3
69.36136	0.3
69.36475	2.3
70.06589	2.8
70.98114	1.3
71.01346	0.6
71.04990	2.2
71.83644	0.2
71.95265	2.7
71.98669	0.2
72.05283	0.2
72.08147	1.7
72.96049	0.3
73.02914	2.1
73.06546	0.4
74.00279	0.2
74.06078	0.5
74.07215	0.6
74.97599	3.4
75.04462	0.3
75.06383	0.3
77.00851	0.4
78.23358	0.2
79.05504	0.3
81.03407	1.8
81.07035	0.4
82.06575	1.6
83.01365	0.4
83.04985	0.7
83.06897	1.6
84.01573	0.4
84.04510	0.4
84.05297	0.3
84.08141	10.4
84.96021	2.9
85.02899	4.1
86.03693	0.4
86.06064	0.5
86.09708	0.5
87.04456	1.1
88.99140	1.2
89.00735	0.2
90.01546	0.6
92.98617	1.1
93.02042	0.3
95.01340	0.4
95.04974	0.3
96.01533	0.4
96.08138	0.6
97.02296	0.5
97.02885	3.5
97.08459	1.3
97.96820	0.4
97.99168	1.1
98.01289	0.6
98.06056	0.3
98.06860	0.3
98.09702	0.2
98.20742	0.3
98.21418	0.7
98.97580	65.0
99.02001	0.3
99.04440	0.9
100.02596	0.3
100.05214	0.3
100.07620	2.2
100.99142	18.7
101.00861	0.7
101.01734	0.4
101.02374	0.9
102.97039	0.5
103.02415	0.5
103.03918	0.3
104.01314	0.3
105.02068	0.4
105.07043	0.5
106.02857	0.8
107.00193	1.2
107.04935	0.3
108.05273	0.3
109.02882	0.9
110.01276	0.6
110.06042	1.4
110.52851	0.5
110.97578	1.0
111.02914	0.3
111.05679	0.4
111.06367	3.2
112.07585	0.8
112.99126	1.7
113.01720	0.2
115.02450	0.5
115.03972	0.5
115.97799	0.4
116.00210	0.5
116.07079	1.0
116.98615	79.3
117.98940	0.4
118.01068	0.5
118.02818	0.4
119.00181	20.4
119.01891	3.8
119.08549	0.4
119.53371	1.3
120.00842	0.3
120.98061	0.3
121.01663	1.2
121.03484	0.5
122.02301	0.7
122.03074	0.3
124.07605	0.6
125.03599	0.4
125.07924	2.4
125.11571	0.3
126.02590	0.4
126.09103	0.5
127.01517	0.3
127.03896	1.0
128.02321	0.8
128.07066	0.4
128.53874	0.5
128.98599	3.0
129.01897	0.5
129.07382	0.2
129.10225	0.3
130.04965	0.3
130.08626	3.3
131.00166	3.8
131.01865	1.0
131.03577	0.6
133.01697	0.6
133.03445	1.0
133.98862	0.2
134.99651	75.9
136.00035	0.5
137.00180	0.5
137.01216	4.1
137.02864	1.1
138.02486	0.3
140.00182	3.1
140.02292	0.8
140.04056	0.4
142.01788	1.0
143.00183	1.9
143.01880	0.4
143.09013	0.3
144.54155	0.3
144.98093	0.2
145.01698	0.9
145.03416	1.0
146.08144	1.9
146.99635	4.8
147.03183	0.6
147.05045	0.7
149.01210	4.1
149.02846	0.6
150.99164	1.2
151.04491	0.3
153.00703	14.0
153.07416	2.1
153.11060	0.6
154.03922	0.4
155.04703	0.3
157.01389	0.6
157.03462	0.8
158.01244	4.9
158.99666	0.9
159.01506	0.4
159.03149	0.2
159.05171	0.3
160.02747	0.3
160.97569	0.2
161.01215	9.1
161.02850	0.7
162.99124	0.9
163.02753	0.9
163.04314	0.4
165.00711	13.5
165.04366	0.6
165.06076	0.5
167.02319	0.6
168.05000	0.3
169.00165	0.7
169.04439	1.2
170.99649	0.3
171.05060	0.5
171.08400	0.9
171.12041	0.2
172.02875	0.4
173.01196	0.7
173.02884	0.4
174.99121	0.8
175.02707	0.6
175.04439	0.5
176.02281	0.9
177.00711	1.5
177.05765	0.2
178.04924	4.9
179.02252	2.0
183.01765	11.9
184.02800	0.5
185.02914	1.0
187.04477	0.3
188.02263	0.9
189.00681	1.0
189.05989	0.5
189.09378	0.7
189.12549	0.3
189.15993	0.9
189.55742	0.9
190.10667	0.5
190.98610	0.2
191.02242	0.6
193.00240	1.5
193.03830	1.0
194.03345	0.3
195.01730	0.3
201.00797	0.3
201.02628	0.3
202.03902	0.4
203.02196	0.3
203.03986	0.5
206.98167	0.2
207.01768	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09225	0.5
54.98643	0.6
56.96564	97.8
57.03434	0.5
60.08155	1.2
69.03419	0.8
70.18804	1.9
71.95267	2.4
73.02912	0.5
74.97609	1.2
81.03425	0.6
84.08141	5.9
84.96036	3.1
84.99751	0.4
85.02924	0.4
92.98624	0.7
95.61976	0.4
97.02914	0.4
97.99192	0.5
98.12928	0.5
98.97581	100.0
99.97901	0.6
100.07596	1.3
100.99142	31.8
101.00893	0.8
103.02448	0.7
112.99144	0.6
116.00234	0.7
116.98615	96.3
117.52202	0.5
117.99023	0.6
118.02021	0.5
119.00185	22.3
119.01910	6.6
119.53407	0.6
119.99117	0.7
121.01665	1.4
126.01774	0.6
127.00805	0.6
128.98601	2.1
128.99638	2.8
130.08615	1.8
131.00172	0.9
131.01910	0.5
131.02837	0.4
133.00758	0.5
134.99654	67.0
135.03203	1.3
136.00096	0.4
136.52821	0.5
137.01236	3.6
137.02937	2.2
138.52745	0.8
139.00847	1.5
139.02603	0.6
140.00157	3.5
141.00569	0.7
141.02278	0.5
142.00441	0.6
142.01662	0.5
143.00151	2.8
145.01656	0.6
145.03464	0.7
146.08105	0.5
146.99626	3.3
147.05016	0.5
148.00320	0.7
148.01352	1.0
149.01166	1.2
150.00081	0.6
150.01141	0.5
150.02806	0.5
152.99478	0.9
153.00705	13.0
154.01204	0.8
156.00160	1.4
157.00963	0.8
157.03513	1.1
158.01276	3.4
161.01212	8.6
161.02876	1.2
162.00990	0.6
162.99162	1.0
165.00716	18.2
166.01282	0.6
168.53761	0.6
177.04184	1.1
179.02249	1.8
183.01772	16.1
185.02931	1.3
188.02350	0.6
189.00694	1.0
201.02698	0.8
207.01735	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.1281
Annotation	Hyacinthacine A3
Peak:m/z	Relative Intensity
53.03705	1.2
53.03950	5.0
55.01862	16.4
55.05505	13.3
56.05028	8.7
56.96563	26.0
57.03447	4.0
58.06594	2.2
58.99613	1.2
60.04529	1.4
60.95862	1.2
61.02923	1.7
62.76372	1.3
67.04237	1.8
67.05497	6.4
68.05048	3.5
69.03440	4.0
69.07083	6.3
70.06580	8.9
70.61765	4.1
71.05004	6.1
71.69012	1.1
72.04546	1.1
72.08160	1.9
73.02919	2.4
74.06077	52.4
74.97617	1.4
79.05492	13.8
80.05014	6.2
81.03400	2.8
81.05812	3.0
81.07066	3.9
82.06577	99.2
83.04977	50.6
84.04499	8.2
84.08164	5.5
85.02921	3.3
86.09713	2.2
88.07655	5.8
91.05498	2.8
93.07086	1.7
94.06564	21.9
95.04974	11.5
95.07353	16.5
95.07912	1.3
96.04518	2.6
96.08129	30.3
97.02366	1.1
97.02921	5.8
97.06531	40.7
98.06086	4.8
98.97591	17.2
98.98190	1.3
100.03915	1.2
100.07603	6.5
100.99178	3.1
106.06583	3.9
107.04953	11.5
107.08621	2.1
108.08118	2.2
109.02917	3.4
110.06041	45.8
110.06754	2.9
110.09683	3.3
111.04475	2.0
114.05559	2.1
114.09168	1.6
116.98605	15.8
117.07019	1.3
118.06566	1.4
119.00221	3.8
119.01884	1.3
121.06545	4.3
122.09705	3.9
122.77985	1.3
123.04414	7.0
124.05258	5.0
124.07597	44.8
124.08493	2.4
124.11221	30.1
124.12142	1.5
125.05985	10.5
126.09192	2.2
128.07057	8.9
134.06042	2.9
134.09651	8.7
134.99640	10.4
135.03487	1.2
135.04457	4.4
136.05220	6.0
137.06039	5.0
141.05476	5.3
142.08623	7.0
144.01077	1.3
146.99693	1.9
148.06335	1.4
152.07076	33.0
152.10696	100.0
153.05479	25.1
153.11061	2.6
161.01224	3.1
165.00766	1.8
170.08101	19.2
170.09361	1.9
170.11755	23.4
171.06549	2.8
177.00812	1.4
183.01816	2.1
188.09193	16.9
188.10834	1.6
188.11186	1.5
188.12778	9.8
189.07068	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	188.1281
Annotation	Hyacinthacine A3
Peak:m/z	Relative Intensity
53.03927	3.7
55.01629	1.0
55.01873	16.8
55.05508	12.1
56.05033	7.6
56.96564	20.8
57.03429	4.5
59.04967	1.1
60.95856	1.4
61.02914	1.7
65.03947	1.8
67.04229	1.9
67.05500	5.1
68.05025	3.0
68.99757	1.2
69.03417	4.4
69.07061	4.7
70.06585	7.3
70.83833	2.6
70.95853	1.2
71.04987	4.7
72.04487	0.9
72.08150	2.3
73.02903	3.0
74.06079	50.2
74.97606	1.5
75.35867	0.8
77.78957	0.8
78.16903	0.9
79.05486	8.8
80.05035	5.1
81.03397	2.5
81.05791	3.9
81.07039	3.0
82.06578	92.4
83.04980	43.6
83.06902	1.7
84.04513	8.4
84.08130	3.7
84.37057	0.8
85.02906	4.6
86.06059	1.5
86.09692	2.6
87.04425	1.2
88.07643	4.4
90.70145	0.9
91.05463	2.5
93.07026	2.2
94.06568	20.5
95.04966	8.1
95.07360	12.7
96.04459	1.1
96.08134	27.6
97.02892	5.8
97.06530	40.6
98.06050	3.9
98.97576	13.1
99.04447	1.7
100.07619	7.4
100.99131	1.0
102.05497	1.3
106.02728	0.8
106.06527	2.4
107.04951	5.5
107.08579	2.0
108.08097	2.5
109.02872	2.5
110.05287	1.9
110.06041	36.7
110.09725	4.5
111.04440	2.6
112.07612	2.0
114.05508	2.2
114.09171	2.1
114.89628	1.0
116.98611	11.0
119.00152	1.8
119.01851	1.3
121.06484	2.6
122.09655	3.8
123.04446	5.9
123.06804	0.9
124.05159	1.9
124.07581	33.0
124.11228	29.0
125.05977	5.4
125.07871	1.1
126.09138	3.2
128.07077	9.8
128.10696	0.9
134.01299	1.1
134.09662	7.2
134.99652	8.4
135.04401	3.2
136.05167	3.5
137.05965	2.0
140.00148	1.0
141.05479	1.7
142.04999	1.7
142.08614	6.9
142.12209	1.5
144.01060	1.7
146.08157	0.9
146.99660	1.7
147.01799	0.8
152.07085	23.4
152.10704	100.0
153.00684	1.1
153.01828	1.5
153.05440	10.3
153.11017	2.0
158.99600	0.9
159.08138	0.8
161.01201	1.8
165.00648	1.7
168.05374	0.9
170.08112	14.8
170.11769	29.1
183.01732	2.4
188.09209	12.4
188.12819	10.6
189.07050	9.1
189.12839	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0917
Annotation	N2-Acetyl-L-aminoadipate semialdehyde
Peak:m/z	Relative Intensity
55.01872	37.9
55.05489	0.9
56.05030	1.9
65.03933	0.8
67.05508	1.3
70.64545	2.8
73.02915	1.7
79.05491	8.1
80.05003	1.2
81.05812	0.9
81.07043	3.6
82.06579	31.3
83.04961	2.0
84.04510	5.7
86.29079	0.6
94.06573	0.9
95.04935	1.0
96.08131	45.4
97.06519	2.6
98.06053	4.0
107.04955	7.1
109.06564	0.8
110.06041	100.0
111.04435	2.5
111.06400	1.0
114.05593	0.7
124.07591	70.3
124.11221	1.8
125.06033	3.4
128.07091	10.2
129.07257	0.7
135.04422	2.5
142.08632	16.5
143.07112	0.8
152.07063	62.1
153.05475	4.1
170.08125	18.7
175.68503	0.8
188.09169	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	188.0917
Annotation	6-Acetamido-2-oxohexanoate
Peak:m/z	Relative Intensity
50.15041	3.7
53.03949	7.2
55.01861	18.1
55.05510	12.1
56.05027	12.4
56.96562	68.2
57.03415	5.7
58.06593	11.4
59.27829	3.1
60.04513	12.3
60.71510	3.1
65.03938	6.6
67.05499	24.9
68.05024	12.5
68.99805	7.5
69.03428	14.8
69.05819	7.0
69.07057	10.9
70.06591	46.0
70.95861	5.5
71.01344	6.7
71.04995	6.6
71.56870	6.7
71.57877	3.5
71.95264	4.1
72.04505	10.0
72.08157	37.7
72.21534	3.7
73.02911	8.0
74.02437	6.5
74.06081	4.7
79.05486	45.0
80.04994	7.4
81.03447	8.7
81.07061	16.2
82.06576	41.7
82.07333	3.5
83.04976	24.5
83.08564	3.3
83.16800	3.6
84.04506	26.4
84.08142	52.9
84.08967	3.6
85.02919	9.1
86.06081	5.8
86.09702	12.3
88.03983	3.6
90.91315	3.4
91.05486	8.8
94.06572	6.2
95.04969	67.5
96.08126	12.4
96.89411	3.0
97.02879	22.3
97.06526	24.4
98.06071	9.1
98.97573	17.7
99.04443	8.7
100.03966	3.9
100.07613	38.0
100.99119	4.4
106.06551	23.3
107.04960	49.6
109.02865	20.2
109.06513	7.6
110.06059	11.1
111.04447	8.7
113.06023	8.4
114.05556	6.6
114.09151	10.7
116.07075	7.5
116.98607	26.6
119.00200	5.1
119.01917	15.2
119.04960	5.8
120.01989	7.5
121.01653	6.1
123.04427	54.9
124.05215	27.9
124.07599	44.3
124.11246	12.0
125.05981	41.3
125.99680	3.3
126.09139	5.5
128.07076	26.4
130.08658	10.3
134.01292	4.3
134.06032	12.0
134.99649	25.9
135.04361	18.4
136.05219	38.0
136.07492	4.3
137.02983	6.6
137.05975	29.3
138.03043	6.0
139.02779	4.4
141.05457	19.6
142.04968	5.8
142.08560	6.7
142.12270	6.6
144.01050	9.7
144.03302	5.3
152.07028	29.1
153.05457	100.0
153.07881	3.9
160.06537	5.0
161.01320	3.7
162.02211	5.0
170.06653	6.9
170.08104	45.2
170.11786	4.3
171.06485	8.3
171.14940	11.2
183.05087	3.4
188.09177	60.3
188.10776	6.9
188.12714	7.6
188.17596	4.8
206.07016	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	188.0918
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
52.89940	0.8
53.03930	1.1
55.01870	41.6
55.05505	1.9
56.05029	1.7
56.96563	42.4
57.03437	1.8
58.06598	1.3
59.94596	0.7
60.95812	0.8
61.02934	1.0
65.03929	0.8
67.04243	0.7
67.05489	1.9
69.03418	2.4
69.07076	1.1
70.06591	2.1
70.10857	3.6
71.04996	1.5
71.95268	0.8
72.08178	0.9
73.02916	3.1
74.06068	2.1
74.97604	1.4
79.05491	7.9
80.04991	1.1
81.05785	1.1
81.07052	3.0
82.06578	37.1
82.07069	1.8
83.04980	4.8
83.06918	1.4
84.04504	5.2
84.08131	1.7
84.96045	1.1
85.02892	2.6
85.06559	1.3
86.06047	1.7
87.04420	0.8
88.99137	0.8
94.06530	0.9
95.04978	2.0
95.07351	0.8
96.08127	48.3
97.02881	1.2
97.06530	4.4
98.06052	5.1
98.97580	36.0
100.07613	2.4
100.54965	0.7
100.99147	10.6
107.04941	8.8
110.06039	100.0
111.04420	3.0
111.06349	1.0
116.98616	35.7
119.00188	7.2
119.01911	4.4
120.01968	3.8
121.01669	3.2
124.07587	87.6
124.11218	1.4
125.05996	3.8
125.07928	2.2
128.07071	15.6
128.98636	1.5
131.01886	1.7
132.02565	1.0
133.03438	1.0
134.99658	23.8
135.04424	3.0
136.11192	0.9
137.01279	1.1
137.02940	1.1
138.03085	1.7
139.02684	1.2
140.00227	1.3
142.08636	20.2
142.10461	1.1
143.00168	1.5
145.03383	1.0
146.08142	1.4
146.99652	2.8
149.01233	1.0
152.07062	67.9
152.10600	4.2
153.00722	3.4
153.05470	7.0
153.07404	1.3
159.05064	0.7
159.94824	0.9
161.01236	3.6
161.04828	0.9
162.99126	1.2
165.00670	6.0
170.08112	24.0
170.11818	1.3
171.08501	0.7
174.06204	0.9
183.01755	6.2
188.02397	1.0
188.07683	0.8
188.09195	13.5
189.06175	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0706
Annotation	3-Indoleacrylate
Peak:m/z	Relative Intensity
53.58926	0.5
54.47868	0.5
55.01885	0.8
55.05515	0.5
56.96580	0.8
57.07092	0.5
67.05505	0.6
69.03422	0.7
69.07053	0.7
70.61351	1.7
71.08643	0.7
74.06062	0.5
79.05480	0.8
82.06585	2.1
83.01353	1.2
83.04985	1.0
84.04517	1.9
85.02916	0.8
87.31506	0.6
88.11261	1.1
91.05480	5.6
93.07091	1.0
96.08120	0.6
100.04011	0.6
103.05447	0.9
105.07033	3.4
107.08613	0.7
110.06041	1.1
115.05453	34.2
116.05028	0.7
116.05788	0.8
117.05755	1.5
117.07027	5.5
118.06544	63.0
119.06895	1.8
119.08582	2.6
121.06497	1.5
124.07632	0.7
128.06226	1.0
128.07079	1.3
129.07043	0.7
130.06557	0.6
131.08530	0.9
132.08070	1.1
133.06537	0.6
133.10126	1.6
136.77963	0.6
141.07033	0.7
142.06526	36.0
143.07335	13.8
143.08467	1.0
144.04460	0.8
144.08084	23.2
145.06479	2.2
145.10129	0.6
146.06010	79.3
147.04405	0.8
147.06352	2.2
147.08064	1.3
147.11702	1.3
155.06056	1.0
156.09326	2.4
159.08014	1.4
160.07471	0.7
160.08601	0.7
161.05898	1.0
161.09628	1.1
161.13234	0.6
170.06009	100.0
171.06421	4.3
171.11684	3.1
174.10391	3.5
188.07054	45.0
189.09068	0.9
189.12732	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	188.0706
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
56.96530	0.3
58.02979	0.3
63.96515	0.4
70.75712	0.9
75.70277	0.4
91.04912	0.4
91.05476	7.0
103.05451	0.6
114.12760	0.3
115.04680	0.7
115.05446	9.5
116.06234	0.6
117.05756	3.2
117.07019	5.8
118.06539	93.5
119.06893	1.6
128.04926	0.5
132.04446	0.3
132.08099	0.9
138.31963	0.4
142.05476	0.5
142.06529	7.3
143.07304	15.4
144.04446	0.8
144.08083	27.7
145.06471	1.5
145.08386	0.6
146.06004	100.0
147.06363	3.1
155.06033	1.1
160.07593	1.1
170.06007	10.2
188.07062	15.2
189.07410	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43843	0.3
58.60921	0.2
59.78522	0.2
69.24973	0.4
69.25377	3.3
72.02290	0.2
88.26839	0.3
91.05471	3.1
98.21543	0.6
98.30456	0.3
108.21180	0.3
112.24266	0.3
115.05444	3.7
117.05766	1.1
117.07027	3.3
118.06544	54.9
119.06882	1.3
130.69478	0.3
132.08147	0.6
142.06531	5.3
143.07310	8.8
144.04456	1.1
144.08086	23.8
145.06538	0.7
145.08414	0.9
146.06009	100.0
147.06348	2.9
155.06015	0.6
160.07559	0.9
170.06023	8.1
188.07063	18.4
189.07372	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1482
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03958	1.7
55.01865	2.1
55.05500	4.4
56.96559	3.2
57.07077	3.4
64.69317	1.9
67.05489	6.8
69.03422	3.1
69.07052	2.4
69.93459	11.3
79.05487	11.4
81.07062	19.7
82.06580	4.1
83.08603	3.2
84.04509	4.2
85.02880	2.6
88.02202	9.8
91.05486	23.3
92.79546	2.0
93.07043	21.8
95.04958	2.8
95.08615	10.1
103.05492	2.9
105.07026	36.2
107.08585	13.9
115.05383	4.5
116.06227	4.6
117.07020	26.6
119.08573	17.6
121.06527	2.0
128.07036	2.3
129.07001	5.8
130.07819	10.7
131.08568	77.8
133.10135	5.2
141.07028	2.8
143.08560	7.9
144.09320	5.1
145.10120	87.7
146.10490	3.0
148.02550	2.1
157.10130	5.4
159.06975	5.6
159.08159	2.9
159.11693	39.7
172.08777	2.7
172.12503	6.4
175.66858	2.1
187.03883	3.2
187.11174	8.0
187.14816	100.0
187.22534	2.7
188.15111	3.8
202.32130	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15474	0.2
53.03959	0.3
55.05496	0.3
65.03947	0.5
67.01908	0.3
67.05504	1.0
69.03421	0.5
70.62945	0.7
79.05508	0.6
81.03402	0.5
88.02222	0.5
89.23630	0.2
91.05486	4.4
95.04993	0.3
103.05487	0.3
105.07031	6.9
107.81676	0.2
115.05440	1.8
116.06223	2.1
117.07020	4.7
119.08577	12.9
120.08916	0.3
128.06210	4.2
129.07001	17.6
129.31750	0.2
130.07877	1.1
131.04907	0.7
131.08568	10.1
132.08910	0.4
141.06996	0.7
142.07764	1.3
143.08569	1.8
144.05713	3.4
144.09338	23.2
145.06473	1.3
145.10197	1.5
147.08023	1.2
153.07040	0.4
154.07806	1.1
155.06036	0.5
156.05658	1.1
157.06487	2.2
157.10121	1.6
158.07224	0.5
159.08069	10.7
159.11688	31.1
160.08434	0.3
160.12025	0.8
169.10104	2.3
171.08070	0.8
172.05313	0.6
172.08826	12.6
173.09204	0.4
185.09656	0.5
186.10403	0.7
187.07643	9.1
187.11174	100.0
188.07869	0.4
188.11533	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	187.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.01881	0.4
55.05499	0.7
56.96548	0.5
59.33503	0.4
62.83788	0.3
67.05508	1.5
69.03408	1.0
69.07052	0.7
70.80209	0.5
70.80569	0.7
71.01343	0.8
79.05489	1.1
81.03401	1.2
81.07044	1.1
82.06556	0.9
85.02898	0.7
88.02197	1.2
91.05475	4.4
93.07041	0.8
95.04958	0.7
95.08593	0.4
97.70580	0.3
98.97585	0.5
103.05434	0.7
105.07025	7.6
107.08563	0.4
115.05454	2.3
116.06232	1.2
117.07013	6.1
118.06512	0.9
119.08573	15.6
119.86464	0.4
121.06483	0.4
127.07613	0.3
128.06198	3.0
128.07050	0.7
129.06998	16.9
130.07838	1.8
131.04909	1.0
131.08563	12.4
133.10150	0.5
141.07008	1.7
142.07762	1.4
143.07434	0.6
143.08557	3.6
144.05672	2.6
144.09334	25.8
145.06512	1.9
145.10138	5.4
146.05991	1.6
146.07088	0.5
147.08049	1.3
153.07008	0.5
154.07764	1.4
157.06497	2.7
157.10115	2.5
158.07269	1.3
159.04453	0.5
159.06918	0.4
159.08072	4.6
159.11685	34.1
160.12010	0.7
161.02809	0.3
169.06429	0.3
169.10146	2.9
170.06029	0.7
171.08064	1.0
172.05154	1.1
172.08818	16.4
173.00853	1.5
173.09207	0.4
185.09528	0.5
186.10400	0.7
187.07712	4.8
187.11168	100.0
188.11473	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44034	0.6
53.03957	0.7
55.05509	0.8
67.05502	2.9
68.62247	0.6
69.03407	2.3
69.07050	0.6
69.60304	0.9
69.60706	4.2
71.01351	0.8
74.31035	0.5
75.19583	0.5
79.05487	2.1
81.03406	0.9
81.07065	0.9
84.04514	0.7
88.02200	0.9
91.05479	7.6
93.07059	0.7
95.04982	1.5
95.08576	0.5
103.05459	0.6
105.03397	0.7
105.07032	11.0
115.05437	3.3
116.06206	1.6
117.07029	7.3
119.08582	20.6
121.06529	1.0
128.06247	3.0
129.07011	18.3
130.07828	4.8
131.08574	19.2
141.07036	4.1
142.07742	1.8
143.08537	4.6
144.05693	2.7
144.08180	0.9
144.09335	16.4
145.06479	4.1
145.10120	5.7
146.07257	1.2
147.08054	1.6
153.06999	1.1
154.07782	4.1
157.06496	6.2
157.10144	2.7
158.07263	9.9
159.08070	19.0
159.11687	26.5
169.10124	5.8
171.08014	3.4
172.08833	41.5
173.00797	1.1
173.09174	1.0
187.07690	4.2
187.11180	100.0
187.14745	2.0
188.11525	3.1
195.72270	0.6
199.25879	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91883	0.4
56.96576	0.8
63.02396	0.5
66.26054	0.4
67.05523	0.5
69.03412	0.9
71.35685	1.2
78.20827	0.4
81.03422	1.3
81.07072	0.5
82.06576	0.6
84.04492	0.6
88.02227	1.7
90.10948	0.5
91.05479	19.0
93.98518	0.4
95.04951	0.5
103.05449	3.6
105.03403	0.8
105.07009	1.3
111.49100	0.4
115.05444	8.5
116.06234	22.9
117.07027	1.3
118.06496	1.5
119.04968	0.5
120.69104	0.4
127.05413	3.3
128.06223	24.8
129.07010	23.4
131.04922	8.8
131.08563	12.4
141.06964	1.7
144.05699	42.5
145.06509	7.7
145.10117	2.8
146.06006	1.2
147.08064	1.6
155.04906	3.7
155.06046	4.8
156.05692	13.7
157.06409	1.5
157.07628	1.1
158.03621	0.5
158.07246	1.3
159.08051	100.0
160.08412	3.3
168.54688	0.6
170.03847	0.8
170.54359	1.4
171.04410	2.0
172.05183	13.6
172.08781	1.1
173.05669	0.5
176.13728	0.5
187.07536	99.9
187.14790	1.7
188.07898	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	187.0752
Annotation	4,4'-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
53.03934	1.4
55.05508	1.6
56.96559	2.2
65.49696	0.7
67.05496	1.2
69.03416	2.6
69.34618	3.4
69.35049	4.6
70.04080	0.9
75.87717	0.8
81.03395	2.9
81.07040	1.2
82.06567	1.8
83.08578	1.2
84.04513	2.5
85.02877	1.8
88.02209	4.8
88.07628	4.2
89.07944	3.1
91.05480	18.5
95.04978	0.8
95.56410	0.9
99.04432	1.3
103.05483	3.9
105.03388	1.2
105.07021	3.8
108.90706	0.8
115.05434	7.6
116.05402	1.0
116.06236	19.6
117.07027	2.5
118.06527	1.2
119.04834	1.0
121.06486	0.9
127.05415	2.0
128.05275	1.1
128.06227	21.4
128.07054	1.3
129.07014	21.5
131.04924	6.6
131.08557	16.1
141.07019	2.6
143.08531	1.0
144.05701	39.0
144.09343	2.1
145.06502	8.1
145.10127	7.8
146.05974	1.2
147.04390	0.9
147.08011	2.2
155.04884	2.6
155.06050	3.7
156.05681	11.7
157.06393	1.3
157.10080	1.2
159.08055	88.6
159.11615	4.4
160.08386	2.3
169.10046	1.6
171.04332	1.1
172.05164	13.1
172.08827	2.6
173.00890	1.7
173.04492	1.2
187.07539	100.0
187.11064	7.5
187.14803	4.2
187.18825	1.4
188.07855	3.0
188.09341	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.039
Annotation	Psoralen
Peak:m/z	Relative Intensity
53.03942	0.3
56.96554	0.3
57.07069	1.0
69.03435	0.3
81.03392	0.6
81.07047	0.2
86.05543	0.2
88.02231	0.5
89.03914	0.3
91.05483	0.5
93.58698	0.2
94.60133	0.2
95.04955	0.6
99.87817	0.2
103.05466	1.0
104.53763	0.2
105.07007	0.7
115.05453	35.4
116.05744	0.5
117.07036	0.4
119.08545	0.4
129.06984	0.5
129.85452	0.3
131.04927	48.3
131.08566	1.9
132.05273	0.8
143.04921	20.8
143.08551	0.5
144.05545	0.4
145.10120	3.6
159.04411	3.8
159.08086	0.8
159.11682	0.8
177.05463	0.3
187.03902	100.0
187.11189	0.7
187.14778	1.6
188.04262	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1537
Annotation	Speciosin I
Peak:m/z	Relative Intensity
53.03938	1.7
55.01873	1.9
55.05510	32.7
57.03424	4.3
57.07077	11.5
59.05000	7.2
67.05502	10.6
68.99789	1.5
69.03420	4.9
69.07066	100.0
71.04986	5.9
71.08636	2.9
71.59280	2.3
73.06547	4.7
73.21505	1.3
79.05481	6.5
81.07051	18.2
83.04969	3.8
83.08616	54.3
84.04478	1.7
84.08935	1.4
85.02859	1.9
85.06534	2.7
85.10169	3.2
91.05471	4.4
93.07039	26.6
95.04980	2.1
95.08606	14.0
97.06501	7.9
97.10165	7.1
99.08052	2.1
101.06006	2.1
105.07007	2.8
107.08588	26.0
108.08868	1.6
109.10158	14.1
111.08087	17.7
113.09666	1.7
114.05518	3.5
115.07551	1.9
117.03368	1.7
121.10135	14.8
123.11719	5.6
125.09617	3.9
125.13277	15.1
126.05492	3.1
127.03957	1.7
127.11152	2.0
128.06201	3.2
129.07034	7.9
129.09085	2.0
138.05574	2.4
138.98900	3.3
139.01811	2.2
141.06987	2.8
142.07736	8.8
143.08533	9.0
143.14319	1.7
145.02838	1.6
149.13257	22.4
155.08557	5.6
156.09380	2.7
157.06494	1.5
157.10161	13.2
163.01807	2.8
167.14314	9.5
170.10858	10.8
181.02901	5.4
185.05966	2.7
185.09604	4.7
185.13283	14.6
186.07695	2.0
204.04431	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0809
Annotation	3-Methoxy-4-hydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
50.01601	0.5
52.03170	0.7
53.03943	0.8
55.01852	1.4
55.05494	1.3
56.96565	5.2
57.07048	0.6
59.04979	0.6
59.06100	0.6
59.42393	0.4
60.04506	0.5
60.66816	0.4
61.02909	0.6
64.55962	0.4
65.03934	2.5
67.05502	2.8
68.99780	3.0
69.03410	1.5
69.07051	1.3
70.06571	1.1
70.36279	1.8
71.04949	0.5
72.08144	1.3
75.04466	1.8
79.01860	3.9
79.05479	2.9
80.04975	0.4
81.03419	1.3
81.07062	2.4
82.04196	3.4
83.04960	1.5
83.06097	0.7
83.08583	0.5
83.97966	0.4
84.70977	0.4
85.02897	2.2
85.18236	0.4
86.09693	3.7
91.05484	3.0
91.79134	0.4
93.03410	0.7
93.07044	6.2
94.04166	0.7
95.01324	11.3
95.04964	4.6
95.08595	0.9
97.02901	1.1
97.06528	1.4
98.97588	6.1
99.04456	1.7
105.07031	1.1
107.01321	4.1
107.08603	3.4
109.02872	1.5
109.06512	0.9
109.07687	0.5
109.10144	0.7
110.03660	34.9
111.04457	12.7
111.08059	0.7
111.09219	0.9
112.05223	0.5
114.05510	0.7
116.98614	6.9
119.01932	1.0
121.06503	1.7
121.10165	1.7
123.00797	0.8
123.04423	3.4
125.02380	4.1
125.05990	94.0
126.03143	5.4
126.05489	0.8
126.06248	2.3
127.03932	7.8
127.08645	0.7
129.06969	0.7
130.06544	0.5
134.03618	0.6
134.99669	6.4
135.04393	0.5
138.03091	1.1
139.01811	1.6
139.03897	23.5
140.00166	0.5
140.04683	0.4
141.05505	1.1
142.02596	0.5
142.05917	0.8
142.07773	0.5
153.01878	8.0
153.05461	100.0
154.06252	41.8
155.03423	3.4
155.06844	1.4
156.04195	1.0
157.05077	0.5
157.06430	0.5
158.01289	0.5
158.99680	1.4
161.02820	0.4
163.01845	1.2
167.03377	0.5
167.07066	1.3
169.04930	0.7
170.05713	6.5
170.10938	0.5
171.02921	1.7
177.00754	2.7
178.98694	0.6
181.02873	2.5
185.04549	1.1
185.08115	21.4
200.02266	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0808
Annotation	2,4,6-Trimethoxyphenol
Peak:m/z	Relative Intensity
53.03971	0.5
55.01873	0.9
55.05514	1.3
56.05030	0.6
56.96563	8.5
57.03437	1.3
57.07083	0.8
58.96195	0.5
65.03942	1.7
65.61214	0.4
67.05498	2.5
68.02632	0.4
68.99774	3.0
69.03432	2.5
69.07069	1.1
70.06590	1.1
71.04993	0.9
71.57763	0.5
72.08157	1.1
73.02913	1.4
75.04469	1.6
75.82731	0.5
79.01849	2.7
79.05499	1.4
81.03417	1.1
81.07052	1.2
82.04197	3.1
83.00793	0.8
83.04971	1.9
84.04514	0.7
85.02929	2.8
86.09710	5.6
90.01553	0.5
91.05499	1.0
93.03413	0.5
93.07041	1.5
94.04205	0.6
95.01328	11.2
95.04956	3.7
95.08633	0.5
96.01596	0.7
97.02879	1.8
97.06514	1.0
98.01292	0.8
98.03207	0.7
98.06025	0.5
98.97582	7.3
99.04448	1.1
99.97939	0.9
104.01266	0.7
107.01305	2.6
107.04947	15.9
107.08584	0.8
108.05282	9.1
108.27187	0.5
109.02863	2.3
109.05526	0.5
110.01269	1.2
110.03661	35.6
110.51458	0.9
110.97597	0.5
111.04452	10.3
112.05209	0.5
114.05534	1.5
116.98609	6.8
117.98956	1.2
118.99065	0.7
119.01826	2.2
119.51944	1.3
120.01997	0.4
120.97882	0.8
123.00830	0.6
123.04442	3.2
124.05217	0.6
125.02364	1.9
125.05990	90.8
126.03141	1.8
126.05512	0.7
126.06339	1.5
127.03907	6.7
128.02330	2.0
128.06224	1.1
128.98560	0.7
129.07011	1.5
130.06488	1.0
131.04930	0.6
131.08505	0.5
134.99648	7.3
135.99948	0.5
137.02847	1.9
137.53020	1.0
138.03120	0.8
138.99002	0.4
139.01790	1.4
139.03902	24.2
140.04655	1.3
140.07088	0.6
140.10663	0.6
141.05453	0.9
141.07045	1.0
142.06145	0.7
142.07794	2.9
143.08522	0.8
146.99684	1.1
153.01996	2.9
153.05463	100.0
154.06252	43.1
155.03413	4.1
155.06772	1.5
156.04120	1.5
157.06456	1.3
157.08998	0.5
157.10080	2.8
158.01297	0.7
158.99701	0.8
163.01855	1.0
168.11365	0.4
169.05002	0.8
169.06458	0.8
170.05681	6.4
170.07265	1.7
170.10835	0.5
171.02881	0.9
177.00697	1.4
180.75888	0.4
181.02925	2.4
182.02209	0.7
185.04495	0.8
185.08061	21.1
185.09624	5.7
185.13206	1.1
186.08324	0.7
186.11252	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0444
Annotation	Methyl 3,4,5-trihydroxybenzoate
Peak:m/z	Relative Intensity
51.02371	1.3
51.85333	0.7
53.03931	2.0
55.01858	3.5
55.05509	3.2
56.05033	1.0
56.85777	0.6
56.96566	22.8
57.07064	1.2
59.06113	1.2
59.54231	0.7
60.29297	0.6
65.03934	2.2
67.05505	10.7
68.05023	0.7
68.99788	6.4
69.03423	4.0
69.07067	4.9
70.06583	2.1
70.07388	1.3
71.04972	1.6
71.57316	1.0
71.57694	0.8
72.08167	3.5
73.02893	0.7
77.03915	0.9
79.01855	10.5
79.05476	1.9
81.03407	2.2
81.07051	1.8
82.06577	1.6
83.04966	2.1
83.06098	1.5
84.04474	1.1
84.08114	1.0
85.02905	2.3
85.07647	1.0
86.09699	4.7
87.32327	0.7
91.05471	1.7
93.07049	1.5
95.04965	14.2
95.06112	0.6
97.02881	6.0
97.06511	1.9
97.07639	0.8
98.97534	1.1
99.00973	1.2
99.05540	1.1
105.03368	1.4
107.01315	36.7
107.04963	1.2
107.08592	1.7
108.01484	4.3
108.02003	1.1
108.02173	1.4
109.02869	1.6
109.07633	0.9
110.03664	2.7
111.00867	0.9
111.04443	2.6
111.08080	1.1
111.09167	1.5
113.06020	1.6
114.01565	0.8
114.05527	1.0
114.06623	0.8
114.21354	0.7
116.98659	0.7
117.02045	1.7
117.07069	0.7
119.01880	1.6
121.02856	0.8
121.06556	0.7
121.10174	1.2
123.04431	43.0
124.04780	1.0
125.02354	36.1
125.05978	3.7
125.09669	1.7
125.10620	0.9
126.03136	59.6
126.06697	0.9
127.03962	4.3
127.08672	2.4
128.06233	1.3
129.07022	1.9
130.06499	1.1
134.99687	1.8
135.00797	2.8
138.06586	1.1
138.98988	0.9
139.01775	1.5
139.03897	13.5
139.11185	1.2
140.01303	0.7
140.07069	1.0
141.05455	1.5
142.02650	0.8
142.07800	0.9
142.09801	1.0
143.03432	3.4
147.04431	2.4
149.02347	2.8
150.03156	8.2
151.03899	16.4
153.01828	100.0
153.05325	3.3
154.02170	1.9
154.06247	1.3
157.06451	1.6
157.10081	1.0
160.02769	0.8
163.01794	1.6
163.03906	1.6
167.03394	1.3
168.07697	0.8
168.11378	1.8
169.01891	1.4
169.03334	3.9
170.02089	0.7
171.02895	21.9
174.02560	5.7
179.00157	4.7
181.02899	3.9
183.03104	4.1
184.00467	1.4
185.01180	2.1
185.04492	6.0
185.07132	1.2
185.16499	3.9
191.72583	0.8
197.01221	31.7
198.01546	0.9
201.00635	1.3
202.01512	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	2.4
58.86028	1.2
60.07874	1.9
60.08162	18.5
60.95816	1.2
61.20402	1.3
69.96461	1.5
71.07377	11.6
71.58282	2.3
71.95251	2.1
73.11987	1.4
86.09707	100.0
87.10022	2.0
98.98464	23.7
101.95040	13.7
102.96880	1.6
104.10771	6.2
105.03362	1.8
106.03724	3.8
119.01904	1.4
119.96069	12.5
120.97904	2.3
125.00002	77.2
128.06204	1.3
129.06956	1.5
137.97108	21.0
138.98921	4.2
143.00996	2.2
149.35020	1.3
155.98152	10.3
156.99980	1.3
157.10191	1.4
160.98679	4.3
166.02654	1.3
178.99811	3.3
184.07355	73.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57032	0.3
56.05041	1.5
58.06594	0.6
60.08163	19.8
64.15575	0.3
70.06594	0.4
71.06976	0.7
71.07372	12.3
71.95290	0.3
86.09704	100.0
87.10029	2.3
93.16640	0.3
98.98462	21.2
101.95011	1.7
104.10741	4.9
106.03700	0.7
116.99503	0.9
119.96110	0.7
124.99999	82.1
126.00316	0.7
137.92270	0.3
137.97147	1.6
138.98927	0.5
143.01041	1.9
155.98177	0.8
160.98792	0.3
166.02682	1.0
184.07336	72.5
185.07709	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	0.6
71.36450	0.8
82.99847	1.0
83.42855	0.3
89.96133	0.3
100.02480	0.6
101.00874	12.9
102.00958	0.6
118.03472	0.5
119.01915	100.0
120.01993	5.7
121.01605	0.7
124.02450	1.2
135.99998	0.3
137.02951	43.7
138.03061	2.3
139.02634	0.4
142.03496	24.8
143.03642	2.8
144.03206	0.4
158.06627	0.8
158.99818	0.4
160.04552	9.6
161.02953	4.1
161.04832	1.7
162.04366	0.5
165.05110	0.7
177.00955	5.5
178.01033	1.6
178.05602	0.3
179.00679	1.0
179.04010	8.9
179.05559	0.8
184.04506	0.5
184.06146	0.3
187.99265	1.0
188.10558	0.3
188.49326	0.6
196.99918	0.4
199.50040	0.7
202.05634	0.5
202.93462	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01855	3.2
56.05028	1.5
56.96564	9.5
57.03437	11.9
59.99934	0.9
60.08156	2.5
61.02925	8.7
67.05472	0.8
69.03426	11.7
69.32011	9.2
70.03745	1.3
71.01348	1.5
71.04971	3.0
71.07368	2.0
73.02915	14.4
74.03234	1.2
77.00869	1.0
78.62693	0.9
79.00669	1.1
81.03423	6.5
82.03767	1.5
84.01580	1.2
85.02905	15.6
86.03212	1.9
86.03683	1.5
86.09705	15.1
87.04447	1.5
89.00818	1.0
89.02466	1.0
94.02667	1.0
96.01562	1.6
97.02302	1.3
97.02885	9.7
98.03216	1.4
98.21487	1.8
98.97591	4.2
98.98462	3.6
99.04462	1.9
100.02509	1.1
100.05242	1.3
101.00871	13.5
101.03416	1.0
102.00928	2.2
102.02365	1.1
102.10737	1.0
102.52497	1.8
103.00599	3.3
103.02344	3.5
104.10730	2.2
105.02084	1.6
107.01773	0.9
109.02921	2.9
109.53238	1.1
110.01261	2.2
110.03165	1.1
111.02921	1.3
111.52955	2.0
112.02788	2.0
113.00841	1.7
114.52511	1.0
115.02387	2.7
115.53269	1.2
116.98611	2.8
117.02081	2.2
118.01103	2.2
118.03551	1.2
118.53885	1.2
119.01916	100.0
120.02013	10.5
121.01662	9.6
121.03430	1.5
123.52972	1.4
124.02776	1.0
124.99984	12.5
126.02583	2.0
127.02417	1.0
127.03869	1.9
128.02318	3.5
128.04195	1.1
128.52229	1.0
128.98587	1.6
130.53827	1.0
131.01891	8.5
132.01949	6.4
132.53500	1.6
133.01649	9.4
133.03421	5.2
134.03548	2.1
135.03125	2.9
137.02953	42.0
138.03035	2.2
138.53546	1.8
139.03328	1.5
142.03485	16.1
143.00134	1.2
143.01938	4.5
144.02017	3.8
145.01633	4.2
145.03441	8.4
146.03574	2.8
146.99582	1.4
147.01385	3.3
147.03160	1.6
147.05025	1.5
148.05148	1.1
149.01140	1.0
149.02930	2.0
151.02733	2.4
155.01848	2.0
156.02051	2.9
157.01651	2.9
157.03456	2.6
158.03622	2.0
159.03183	1.5
160.04535	5.7
161.02951	13.5
161.04172	1.8
162.03116	7.5
162.99124	1.3
163.02609	5.1
168.01996	1.0
170.03003	1.3
173.01514	0.8
173.02924	5.1
174.03076	8.2
175.02718	6.1
175.04318	1.6
176.04726	1.5
179.03944	7.9
179.05179	1.0
184.04553	2.4
184.07326	13.5
185.02934	3.1
186.03120	3.6
187.02708	3.4
187.04333	1.1
188.23166	1.0
191.03941	1.5
203.03983	2.1
204.04140	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01857	0.7
55.05500	0.6
56.05021	2.1
56.96559	4.8
57.03436	0.9
60.04514	0.6
65.92637	0.7
67.05499	1.1
68.05016	0.9
68.99752	0.7
69.03406	1.6
69.61842	4.3
70.06580	1.8
71.07375	0.8
72.08148	0.9
73.02890	0.8
79.05464	0.7
80.05009	0.7
80.94948	0.8
81.03393	1.4
81.07053	0.9
82.06571	2.0
84.04511	1.3
84.08114	1.5
85.02899	1.6
86.03551	1.2
86.09710	4.9
91.05482	1.9
93.07034	0.8
94.06582	0.7
95.04952	1.7
96.04474	1.2
96.08112	1.2
97.02882	1.3
98.09716	0.6
98.21496	0.8
98.97588	2.6
98.98466	1.1
100.02528	0.8
100.07601	0.6
101.00872	11.0
101.02477	0.6
102.00938	0.8
107.04944	1.4
108.48770	0.6
109.02887	0.7
109.06510	1.9
109.75426	0.5
110.06003	1.3
110.07168	1.1
114.03000	0.8
115.02424	1.2
116.98621	2.5
117.03999	0.7
118.03513	1.1
119.01916	100.0
120.00685	0.7
120.02004	6.1
120.08071	1.3
121.01621	1.1
121.06512	2.2
121.97525	0.7
123.04471	2.8
123.05195	0.6
124.02446	1.2
124.07578	1.2
124.99993	4.5
125.06081	0.6
127.03908	0.7
131.01906	1.2
132.02083	0.6
132.05110	0.7
133.01634	2.9
133.03500	1.5
134.99664	2.5
135.03194	0.6
136.04549	0.7
136.07591	2.2
137.02954	49.1
137.05919	3.5
138.03067	2.2
138.05443	1.5
138.09108	1.5
138.12755	0.7
139.08598	0.7
141.96535	0.8
142.03500	17.6
143.01877	0.8
143.03645	1.9
145.03455	0.7
146.99661	1.0
148.07607	1.2
149.05951	1.4
151.02711	1.3
151.04895	0.8
156.03264	1.8
156.06575	0.7
157.03453	0.8
158.06647	0.6
159.04906	0.6
159.53897	0.5
160.04541	8.4
161.01389	0.9
161.02957	7.4
161.04187	1.0
161.04710	0.9
162.04335	1.3
163.04529	0.8
165.05176	0.9
166.04987	1.0
166.08615	3.0
167.03387	0.9
167.07097	1.2
174.04457	1.0
178.21133	0.6
179.02426	1.2
179.03963	7.3
179.05449	0.6
183.97516	0.7
184.04584	1.8
184.05984	1.0
184.07315	3.8
184.09610	5.1
184.13350	1.2
185.02965	0.6
202.05585	1.4
203.03943	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68947	5.5
57.03423	17.9
69.03427	14.0
69.59368	37.4
73.02919	16.2
82.99902	7.3
85.02897	10.2
90.45200	5.8
94.56818	5.2
97.02900	15.1
101.00853	13.4
111.53044	9.2
119.01936	100.0
120.01958	13.1
121.01693	7.7
131.01881	11.5
133.03371	7.4
137.02940	37.9
142.03493	17.8
143.01881	8.3
145.03458	8.1
147.03284	6.8
160.04671	7.3
161.02966	19.9
162.03055	10.1
162.21440	6.5
163.02757	10.7
166.15672	5.6
173.02940	10.8
174.03172	10.1
179.04034	11.2
186.03081	6.2
187.02774	8.1
199.04297	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	183.1015
Annotation	Dihydroconiferyl alcohol
Peak:m/z	Relative Intensity
51.42817	0.6
53.03945	5.1
55.01621	0.8
55.01872	10.7
55.05261	0.9
55.05507	12.0
56.05025	0.9
56.96559	1.5
57.03429	1.5
57.07072	0.8
59.04968	0.8
59.06124	2.9
65.03949	2.8
67.05505	15.6
68.05027	0.6
68.05827	0.6
68.99788	0.7
69.03428	3.2
69.07054	1.8
69.74368	4.3
70.06593	0.8
71.04975	1.9
71.08599	0.6
72.08135	1.0
77.03888	1.0
79.05491	4.0
81.03403	2.5
81.07059	5.2
82.04188	0.5
82.06591	0.8
82.07397	1.0
83.04987	5.6
83.06077	1.4
84.04452	0.6
85.02907	4.6
85.06538	0.7
86.08502	0.8
91.05481	6.2
93.03413	0.6
93.07037	4.3
95.01332	1.2
95.04964	44.3
95.08608	8.9
96.05278	1.2
96.08170	0.6
97.02886	2.0
97.06536	2.0
97.07626	1.4
98.06065	0.9
98.98462	13.2
99.04453	1.2
99.05569	0.9
103.05444	0.9
105.03399	9.7
105.04503	2.4
105.07024	8.6
107.04967	1.4
107.06023	0.6
107.08593	0.7
109.02889	2.5
109.06529	3.5
109.07631	2.4
109.08428	1.5
109.10165	5.8
110.03642	0.6
111.04440	31.7
113.02361	8.3
113.06021	0.6
116.98679	0.7
116.99463	0.9
117.07022	1.2
119.01926	2.9
119.08573	7.1
120.08911	0.8
121.06538	0.7
121.10139	1.4
122.03652	2.4
122.06047	2.8
123.04427	100.0
123.08043	5.4
123.11649	0.8
124.04787	2.3
124.08741	1.8
125.02357	2.1
125.06051	1.1
125.07130	1.8
127.01569	2.3
127.03907	1.5
129.07014	2.9
131.01909	1.2
133.02823	1.3
133.06503	5.6
134.99638	1.0
135.04376	0.6
137.02269	0.7
137.05983	21.5
137.07899	2.4
137.09608	6.7
137.11844	0.6
138.06511	1.0
140.04683	7.9
140.07050	1.6
140.08159	0.8
141.01811	0.6
141.05438	4.1
141.06389	0.6
142.03494	0.8
143.63933	0.5
147.08043	8.2
151.03908	2.4
154.20694	0.7
155.07036	4.0
155.08189	0.6
155.08795	0.7
165.07410	2.4
165.09114	6.0
166.08611	0.8
166.09824	0.8
168.09259	0.6
169.04947	1.8
180.56036	1.1
183.06473	2.0
183.08238	2.2
183.10291	3.5
183.11719	0.8
183.12395	1.0
183.13789	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0653
Annotation	3-Hydroxy-4-methoxyphenylacetic acid
Peak:m/z	Relative Intensity
53.03947	2.0
55.01884	1.1
55.05500	1.4
56.96558	0.6
57.03437	12.0
57.12129	0.5
59.06124	0.6
60.55765	0.5
65.03952	2.7
66.10184	0.5
67.05501	4.8
68.05019	0.5
68.99444	0.4
68.99788	10.7
69.03432	3.8
69.07070	2.3
69.45054	4.7
71.04994	5.2
79.05492	4.6
81.03410	2.2
81.07058	13.3
83.04964	0.6
83.08626	0.6
85.02898	1.4
85.06519	1.0
91.05486	13.6
93.07045	1.9
94.04179	1.3
95.04969	19.6
95.08610	3.9
97.06551	3.8
98.98469	9.0
98.99109	0.8
99.03838	0.9
99.04457	15.6
105.03391	5.5
105.04500	0.7
105.07005	1.7
107.04975	1.1
107.08610	0.7
109.06522	15.5
109.10165	3.1
111.04475	0.5
111.08149	0.8
119.04935	15.1
119.08582	1.2
121.10146	2.1
122.03584	0.5
123.04438	8.6
123.08060	1.7
123.11697	1.9
125.07108	0.7
127.01569	1.6
127.03905	1.2
134.66673	0.5
137.05978	100.0
137.09590	2.3
138.06342	1.7
140.04701	3.4
141.05504	0.9
147.04427	2.0
147.08046	0.8
147.11659	1.3
150.03099	0.8
153.06905	0.7
155.04762	0.6
155.07051	1.5
155.08525	1.9
160.04573	0.9
165.05481	62.5
165.12759	1.0
166.05801	1.2
168.09286	0.6
183.06537	41.6
183.07819	1.5
183.11668	1.5
183.13701	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0652
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
50.01589	0.4
51.02378	0.9
53.00316	0.3
53.03947	10.9
55.01883	2.7
55.05503	0.5
56.05025	0.4
56.96565	0.6
57.03435	0.9
57.07076	0.5
59.06127	1.0
63.31535	0.3
65.03939	5.5
67.05505	10.5
68.61956	0.3
69.03430	0.7
69.07074	0.6
71.01338	1.5
71.05000	0.4
71.58390	0.4
77.03941	1.0
79.05492	0.9
81.03410	2.3
81.07050	1.5
83.04975	0.8
85.02901	3.9
91.05485	0.6
92.14074	0.3
93.03409	0.9
93.07051	1.3
94.06506	0.3
95.01350	0.9
95.04968	100.0
95.08592	2.7
96.05310	1.4
97.02885	1.1
97.06534	0.7
97.07664	0.7
98.03626	0.5
98.06028	0.3
98.98466	5.1
99.04456	0.6
101.13464	0.3
105.03392	4.3
105.04502	4.7
105.07021	0.8
107.04992	0.7
108.02124	0.4
109.02859	0.3
109.06509	0.8
109.07638	0.6
109.10152	1.4
110.03640	0.7
111.04437	1.4
113.02371	2.9
116.99506	0.3
119.01949	0.6
119.08556	1.5
121.04006	0.5
121.10139	0.4
123.04427	63.5
123.08006	1.8
124.04778	1.4
124.08667	0.4
125.02356	6.0
127.01552	0.8
133.02885	0.5
137.06001	0.9
137.09654	1.9
140.04678	28.6
141.05428	0.4
147.08046	0.6
155.07033	11.8
155.08298	0.4
165.01869	0.4
165.09088	0.7
168.09280	0.3
183.02962	0.3
183.06538	2.9
183.10193	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0652
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
51.02381	1.1
52.03177	0.5
53.03947	12.2
55.01873	4.2
55.05514	0.9
56.05033	0.6
56.96558	0.8
57.03434	0.6
57.07066	0.4
59.06126	1.2
65.03941	5.3
67.05504	8.3
68.05027	0.5
68.99812	0.6
69.03436	0.5
69.07072	0.5
70.06591	0.5
70.82368	0.3
70.82706	0.8
71.01360	0.5
71.04988	0.8
73.56387	0.3
77.03928	1.5
79.02464	0.4
79.05495	0.9
81.03420	1.9
81.07059	1.6
82.06551	0.4
83.04980	0.6
83.06103	0.5
83.95091	0.4
85.02914	1.6
85.06516	0.4
91.05471	0.8
91.42063	0.3
93.03413	0.4
93.07032	0.7
95.04969	100.0
95.08584	1.6
96.05323	1.2
96.08138	0.9
97.02879	1.0
97.06516	0.6
97.07619	0.4
98.03662	0.6
98.98465	5.0
99.04481	1.1
99.05626	0.4
105.03397	3.9
105.04508	4.4
105.07045	0.5
107.08617	0.5
108.02138	0.4
109.02879	0.4
109.06508	0.7
109.07654	1.0
109.10132	0.5
110.03677	0.8
110.06063	0.5
111.04453	1.3
113.02377	0.7
119.04945	0.7
119.08570	0.9
121.04014	0.5
121.06531	0.6
121.07626	0.4
123.04428	69.0
123.08067	1.5
124.04761	1.0
124.07600	9.2
124.08604	0.6
125.02364	5.2
125.07103	0.7
127.01600	0.6
127.07553	0.4
133.02899	0.8
134.99586	0.4
136.07501	0.4
137.02304	0.5
137.06012	1.1
137.09637	1.1
137.10648	0.4
138.05463	0.4
138.09151	0.9
140.04681	27.4
141.05396	0.3
147.04417	0.5
151.03874	0.4
152.85690	0.4
155.07030	13.6
165.01768	0.5
165.09108	0.8
166.08609	1.1
166.09845	0.4
166.82515	0.3
168.04051	0.5
173.08109	0.4
182.72467	0.3
183.06607	3.3
183.08047	0.6
183.09982	0.4
183.11372	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0653
Annotation	mHPHA
Peak:m/z	Relative Intensity
50.01605	0.5
51.02386	0.9
53.03947	9.5
55.01874	3.9
55.05511	1.5
56.05032	0.6
56.96569	6.7
57.03444	1.0
57.07078	0.7
59.06129	2.2
60.04528	1.7
60.51473	0.3
62.65584	0.3
65.03939	7.0
67.05506	11.7
67.05867	0.6
68.05033	0.7
68.99770	0.6
69.03436	2.1
69.07068	8.8
70.06581	1.3
71.01325	0.4
71.04994	1.0
71.20591	0.7
71.20933	0.7
73.02919	0.7
77.03932	1.4
79.05495	3.1
80.05022	0.4
81.03426	2.4
81.05828	0.6
81.07060	3.0
82.06569	0.4
83.04968	1.0
83.06105	0.9
84.96034	1.0
85.02914	1.6
85.06552	0.8
85.07642	0.5
86.02438	1.4
86.08426	0.4
91.05482	6.5
92.05811	0.5
93.03405	0.4
93.07041	2.3
94.04195	0.8
95.04970	100.0
95.08610	4.0
96.04533	0.6
96.05313	1.3
96.08141	3.5
97.02900	2.0
97.06564	1.8
97.07665	1.0
98.03677	0.8
98.06016	0.3
98.97602	2.0
98.98464	7.2
99.04466	1.0
99.08074	0.5
103.05470	0.5
105.03403	6.5
105.04500	5.3
105.07030	7.0
106.06559	0.5
107.08558	0.7
108.02091	0.4
109.02882	0.7
109.06499	1.5
109.07638	1.3
109.09488	0.4
109.10133	2.0
110.03627	0.8
110.06046	3.8
110.97603	0.4
111.04446	1.8
111.05556	0.3
111.08016	0.5
113.02377	0.5
113.05997	0.4
115.05476	0.4
116.98622	3.0
117.07016	0.4
118.06519	0.4
119.01900	1.1
119.04945	7.1
119.08579	2.1
119.29372	0.3
120.05331	0.4
121.03933	0.6
121.06487	0.6
121.10121	1.1
122.03671	2.1
122.07171	0.5
123.04429	73.8
123.08039	3.6
124.04735	0.8
124.07592	22.1
124.57671	0.4
125.02351	5.6
125.06007	1.1
125.07126	1.8
125.09595	0.5
127.01556	0.8
127.03935	0.5
127.07552	1.5
127.08584	0.4
128.98605	1.4
133.02855	1.0
133.06490	4.4
134.99654	3.4
137.02290	0.6
137.05978	16.8
137.09587	2.9
137.13222	0.4
138.09171	3.5
138.10141	0.7
139.03893	0.5
140.04686	29.7
141.05396	0.8
143.00128	0.4
146.99696	1.8
147.00674	0.4
147.04407	14.6
147.08026	0.4
148.04782	1.1
151.03912	0.4
153.00705	0.4
155.07033	14.3
155.08284	0.7
158.99713	0.4
161.01219	1.7
165.01886	0.6
165.05443	0.8
165.09073	2.2
166.08636	5.4
166.09839	0.7
168.04166	0.7
170.99661	0.4
177.00725	0.8
183.06566	4.9
183.08028	0.8
183.09923	1.8
183.11340	1.5
184.09715	1.6
189.00586	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22996	0.7
53.03940	3.6
55.01871	11.7
55.05495	2.1
56.96561	35.6
57.03433	36.0
58.03789	0.8
58.99853	3.5
59.99948	0.9
60.02122	1.0
60.95807	0.6
60.99613	0.8
61.02921	25.3
63.07423	0.8
65.03923	0.9
67.05479	2.2
68.98301	1.1
69.01923	1.0
69.03426	42.5
70.03742	2.3
70.73705	2.0
70.74054	0.9
71.01348	3.4
71.04976	4.7
71.95249	1.2
73.02913	51.3
74.03269	1.2
74.97614	0.9
75.01904	1.1
75.04496	1.0
77.00909	4.6
78.00986	2.0
79.05492	1.3
81.01895	2.1
81.03407	17.0
81.07053	1.6
82.02684	3.2
82.03757	0.9
82.99854	2.0
83.01329	1.5
83.04968	1.6
84.04484	1.3
84.96027	2.6
85.02899	46.0
86.03690	1.8
86.09702	1.8
86.99277	0.8
87.01884	3.5
87.04455	3.3
87.51992	0.8
88.02677	7.7
88.11388	0.7
89.02407	0.8
89.03465	1.0
90.01558	0.9
91.03206	2.3
91.03917	1.8
91.05480	1.0
92.01299	1.4
93.01868	4.8
94.02657	6.9
94.52745	0.8
94.99822	1.3
95.01334	1.7
95.01942	2.1
95.03444	1.5
95.04957	10.9
95.08591	2.4
96.02462	5.3
96.52457	1.1
97.02879	40.9
98.01262	0.8
98.03206	1.5
98.21004	1.2
98.97580	7.5
98.98454	12.6
99.02058	1.0
99.04452	6.8
100.02652	7.2
100.07590	1.2
101.00869	16.9
101.01578	0.9
101.02392	3.6
101.03440	3.2
101.53630	0.9
102.00964	1.8
102.02406	14.5
102.52458	1.6
103.02377	3.0
103.03176	3.5
103.03950	2.9
104.02139	1.0
104.10754	2.4
105.00365	3.8
105.03397	11.3
106.02627	2.1
106.52805	0.8
107.00159	1.2
107.03434	3.0
108.02386	3.9
109.02967	7.5
109.10123	1.3
109.53252	0.8
110.01283	1.8
111.02125	1.1
111.02920	16.6
111.52985	2.6
112.02733	0.9
113.00860	5.8
113.02361	3.2
113.09647	1.0
113.53185	2.3
114.02407	4.2
114.03426	1.3
115.02419	6.7
115.03191	4.2
115.03945	1.7
115.53225	1.1
116.98612	8.8
117.02084	1.0
117.02917	2.8
118.01112	2.1
118.02736	0.9
118.03586	3.2
119.01911	100.0
119.03659	2.3
119.53156	0.8
120.01949	8.9
120.03400	2.2
120.08051	0.8
120.98019	0.9
121.01639	2.4
121.03384	2.2
122.02264	1.3
122.53688	2.3
123.01432	1.5
123.02911	7.6
123.04424	5.4
123.08061	1.0
123.53012	1.4
124.03721	1.4
125.00021	2.1
125.02548	1.2
126.03421	1.5
127.01566	2.4
127.02402	1.5
127.03902	8.8
128.02277	3.9
128.98595	1.7
129.02916	4.0
129.03966	2.9
130.03647	2.7
131.01897	56.2
132.01965	8.5
132.03432	8.3
132.53543	1.8
133.01628	2.7
133.03481	12.6
134.03584	1.4
134.99652	7.6
135.01260	1.2
135.03001	2.6
136.04587	1.0
137.02951	30.1
137.04549	1.2
137.05965	1.4
137.07956	1.1
138.03448	8.7
138.53540	1.6
139.02484	1.8
140.04691	2.7
141.03963	1.8
141.05405	0.8
142.03513	9.5
142.96519	1.1
143.00169	1.7
143.01889	33.6
143.03604	1.6
143.54205	2.0
144.02039	2.7
144.03461	1.9
144.53586	1.0
144.99780	0.8
145.01678	1.9
145.03442	26.7
145.99966	3.1
146.02419	0.9
146.03534	3.5
146.99600	5.4
147.01378	4.5
147.03969	3.0
147.05045	2.4
149.01172	2.0
149.02939	17.9
149.54254	1.4
150.03094	2.8
151.02719	0.8
151.04433	2.0
153.00674	0.9
153.03975	2.3
154.03546	1.8
155.01868	31.8
155.06958	1.0
155.08130	1.1
156.01967	4.4
157.01640	1.7
157.03459	16.4
158.03551	2.2
158.99608	0.9
159.01378	1.3
159.03207	1.2
159.05037	2.7
160.03229	1.5
160.04489	6.4
160.97548	3.8
161.01294	5.4
161.02942	63.0
162.03067	8.5
163.02769	2.6
163.04509	8.2
164.54817	1.0
164.65916	0.9
165.00681	1.8
166.05040	1.1
166.08633	2.0
167.01926	4.8
168.05103	1.4
169.01578	2.1
169.03462	3.0
169.04906	0.7
170.01184	0.9
171.01361	1.8
171.05043	1.9
173.01407	2.4
173.02948	62.9
174.03065	8.6
175.02803	3.0
175.04535	7.1
176.04659	0.9
177.00691	2.4
177.02437	2.4
178.01170	0.8
178.02582	3.3
178.05643	1.8
178.98625	3.2
179.02203	2.5
179.04056	4.2
181.03496	1.1
183.03062	1.1
183.04971	1.2
183.06458	1.2
183.08014	2.1
183.11551	1.1
184.04564	5.5
184.07350	1.5
185.02940	28.5
185.04340	1.0
186.03024	3.9
187.02745	2.1
187.04523	5.7
189.00781	1.8
189.02390	1.8
190.69289	1.1
191.02362	1.6
191.03952	6.1
196.04544	3.1
196.06387	0.9
196.99805	0.9
197.02907	5.1
197.04559	0.9
198.03111	1.0
199.04529	2.0
201.00702	3.7
201.02448	2.4
201.04190	1.3
203.03990	16.6
204.04199	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	183.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22996	0.7
53.03940	3.6
55.01871	11.7
55.05495	2.1
56.96561	35.6
57.03433	36.0
58.03789	0.8
58.99853	3.5
59.99948	0.9
60.02122	1.0
60.95807	0.6
60.99613	0.8
61.02921	25.3
63.07423	0.8
65.03923	0.9
67.05479	2.2
68.98301	1.1
69.01923	1.0
69.03426	42.5
70.03742	2.3
70.73705	2.0
70.74054	0.9
71.01348	3.4
71.04976	4.7
71.95249	1.2
73.02913	51.3
74.03269	1.2
74.97614	0.9
75.01904	1.1
75.04496	1.0
77.00909	4.6
78.00986	2.0
79.05492	1.3
81.01895	2.1
81.03407	17.0
81.07053	1.6
82.02684	3.2
82.03757	0.9
82.99854	2.0
83.01329	1.5
83.04968	1.6
84.04484	1.3
84.96027	2.6
85.02899	46.0
86.03690	1.8
86.09702	1.8
86.99277	0.8
87.01884	3.5
87.04455	3.3
87.51992	0.8
88.02677	7.7
88.11388	0.7
89.02407	0.8
89.03465	1.0
90.01558	0.9
91.03206	2.3
91.03917	1.8
91.05480	1.0
92.01299	1.4
93.01868	4.8
94.02657	6.9
94.52745	0.8
94.99822	1.3
95.01334	1.7
95.01942	2.1
95.03444	1.5
95.04957	10.9
95.08591	2.4
96.02462	5.3
96.52457	1.1
97.02879	40.9
98.01262	0.8
98.03206	1.5
98.21004	1.2
98.97580	7.5
98.98454	12.6
99.02058	1.0
99.04452	6.8
100.02652	7.2
100.07590	1.2
101.00869	16.9
101.01578	0.9
101.02392	3.6
101.03440	3.2
101.53630	0.9
102.00964	1.8
102.02406	14.5
102.52458	1.6
103.02377	3.0
103.03176	3.5
103.03950	2.9
104.02139	1.0
104.10754	2.4
105.00365	3.8
105.03397	11.3
106.02627	2.1
106.52805	0.8
107.00159	1.2
107.03434	3.0
108.02386	3.9
109.02967	7.5
109.10123	1.3
109.53252	0.8
110.01283	1.8
111.02125	1.1
111.02920	16.6
111.52985	2.6
112.02733	0.9
113.00860	5.8
113.02361	3.2
113.09647	1.0
113.53185	2.3
114.02407	4.2
114.03426	1.3
115.02419	6.7
115.03191	4.2
115.03945	1.7
115.53225	1.1
116.98612	8.8
117.02084	1.0
117.02917	2.8
118.01112	2.1
118.02736	0.9
118.03586	3.2
119.01911	100.0
119.03659	2.3
119.53156	0.8
120.01949	8.9
120.03400	2.2
120.08051	0.8
120.98019	0.9
121.01639	2.4
121.03384	2.2
122.02264	1.3
122.53688	2.3
123.01432	1.5
123.02911	7.6
123.04424	5.4
123.08061	1.0
123.53012	1.4
124.03721	1.4
125.00021	2.1
125.02548	1.2
126.03421	1.5
127.01566	2.4
127.02402	1.5
127.03902	8.8
128.02277	3.9
128.98595	1.7
129.02916	4.0
129.03966	2.9
130.03647	2.7
131.01897	56.2
132.01965	8.5
132.03432	8.3
132.53543	1.8
133.01628	2.7
133.03481	12.6
134.03584	1.4
134.99652	7.6
135.01260	1.2
135.03001	2.6
136.04587	1.0
137.02951	30.1
137.04549	1.2
137.05965	1.4
137.07956	1.1
138.03448	8.7
138.53540	1.6
139.02484	1.8
140.04691	2.7
141.03963	1.8
141.05405	0.8
142.03513	9.5
142.96519	1.1
143.00169	1.7
143.01889	33.6
143.03604	1.6
143.54205	2.0
144.02039	2.7
144.03461	1.9
144.53586	1.0
144.99780	0.8
145.01678	1.9
145.03442	26.7
145.99966	3.1
146.02419	0.9
146.03534	3.5
146.99600	5.4
147.01378	4.5
147.03969	3.0
147.05045	2.4
149.01172	2.0
149.02939	17.9
149.54254	1.4
150.03094	2.8
151.02719	0.8
151.04433	2.0
153.00674	0.9
153.03975	2.3
154.03546	1.8
155.01868	31.8
155.06958	1.0
155.08130	1.1
156.01967	4.4
157.01640	1.7
157.03459	16.4
158.03551	2.2
158.99608	0.9
159.01378	1.3
159.03207	1.2
159.05037	2.7
160.03229	1.5
160.04489	6.4
160.97548	3.8
161.01294	5.4
161.02942	63.0
162.03067	8.5
163.02769	2.6
163.04509	8.2
164.54817	1.0
164.65916	0.9
165.00681	1.8
166.05040	1.1
166.08633	2.0
167.01926	4.8
168.05103	1.4
169.01578	2.1
169.03462	3.0
169.04906	0.7
170.01184	0.9
171.01361	1.8
171.05043	1.9
173.01407	2.4
173.02948	62.9
174.03065	8.6
175.02803	3.0
175.04535	7.1
176.04659	0.9
177.00691	2.4
177.02437	2.4
178.01170	0.8
178.02582	3.3
178.05643	1.8
178.98625	3.2
179.02203	2.5
179.04056	4.2
181.03496	1.1
183.03062	1.1
183.04971	1.2
183.06458	1.2
183.08014	2.1
183.11551	1.1
184.04564	5.5
184.07350	1.5
185.02940	28.5
185.04340	1.0
186.03024	3.9
187.02745	2.1
187.04523	5.7
189.00781	1.8
189.02390	1.8
190.69289	1.1
191.02362	1.6
191.03952	6.1
196.04544	3.1
196.06387	0.9
196.99805	0.9
197.02907	5.1
197.04559	0.9
198.03111	1.0
199.04529	2.0
201.00702	3.7
201.02448	2.4
201.04190	1.3
203.03990	16.6
204.04199	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	182.154
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
53.03916	1.8
55.01861	3.3
55.05511	11.0
56.40144	1.8
56.96564	4.1
57.03413	2.3
57.07070	4.7
58.02960	40.1
65.03936	2.0
67.05507	30.8
69.07068	79.9
69.32731	7.3
69.33155	9.9
70.06579	4.9
72.32309	1.9
74.06069	2.3
76.98841	1.6
79.05501	11.5
80.05782	2.1
81.03378	2.5
81.07059	28.1
83.08619	8.8
84.08132	12.3
90.97485	1.6
91.05470	8.7
93.07040	17.3
94.07349	3.0
95.04962	8.6
95.08586	9.1
97.06518	6.8
98.06074	3.4
98.09690	2.8
98.97571	5.8
98.98468	10.3
100.07596	10.2
100.14481	1.7
105.03362	7.1
105.07024	17.8
107.08585	24.7
109.06483	4.1
109.10152	59.5
112.07574	3.0
114.09171	14.9
116.98603	7.3
117.98928	5.0
121.10133	2.3
123.04430	1.8
123.11710	9.3
126.09148	13.8
126.12849	3.0
128.10709	2.3
133.10129	34.4
134.99637	10.1
135.11690	23.6
135.99989	3.3
136.12074	3.0
137.13181	1.8
138.02690	1.9
138.12778	23.7
140.10690	1.9
147.11690	5.3
151.11163	10.7
153.00728	3.2
153.12750	12.7
162.50722	1.6
164.14426	3.2
165.12762	4.0
182.00961	3.2
182.08247	2.8
182.15399	100.0
183.11734	2.1
183.15735	3.9
199.55612	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0813
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
53.03947	9.0
54.03468	1.1
54.47008	0.9
55.01852	4.4
55.05519	7.6
56.05023	1.8
56.96559	1.5
57.03432	1.0
58.02948	1.6
58.06602	1.3
65.03944	7.4
66.04732	1.2
67.05505	26.4
68.05007	3.5
69.03416	2.3
69.07072	7.2
70.02956	1.4
70.06556	1.5
71.04996	1.1
71.57647	1.3
72.04511	1.2
74.97688	0.9
77.03915	1.5
79.05492	33.5
80.04980	4.4
80.05814	1.3
80.06241	1.0
81.03404	3.0
81.07056	47.4
82.02912	1.4
82.06554	2.8
82.07381	1.0
83.08595	2.4
84.04491	1.7
84.08112	2.1
85.02903	2.0
86.02441	5.2
86.06046	1.6
87.57983	1.0
91.05476	8.5
92.04976	1.8
92.05823	1.4
93.03397	1.5
93.05795	8.5
93.07042	2.4
94.06566	5.2
95.04967	62.6
95.08602	2.1
96.04464	4.0
96.05782	1.1
96.08129	1.8
97.02877	1.7
97.05252	1.9
97.06539	10.5
98.06062	5.2
98.09651	4.3
98.98443	3.8
100.06783	1.1
105.03355	4.5
105.04481	3.5
105.41603	1.0
106.06535	3.2
107.07304	3.7
108.04449	2.6
108.05218	1.3
108.08119	68.2
109.02884	1.4
109.06499	8.5
109.08407	1.6
110.06036	5.8
111.04425	1.7
112.07587	1.9
116.98585	1.5
118.06509	3.5
119.01903	1.4
119.04922	1.1
120.04448	2.5
121.05210	2.6
122.06039	6.4
122.06847	1.5
122.10440	1.9
123.04427	39.7
123.05344	1.9
123.08031	1.4
124.05198	1.4
124.07565	3.1
124.08417	1.1
125.02349	3.1
125.05996	29.6
126.05518	34.0
126.06332	1.2
126.09149	18.9
131.01874	1.2
134.05965	1.2
134.99568	1.3
135.04413	1.0
136.07578	100.0
136.11948	1.7
137.05957	2.3
137.07919	1.6
138.02704	1.6
138.05464	3.8
138.09059	1.3
139.09772	1.7
140.04691	15.6
140.07059	2.4
140.08168	6.0
141.05493	1.7
143.09709	1.0
151.07574	1.2
152.06995	2.7
153.05414	3.4
153.07808	3.7
154.08615	28.7
154.09821	2.1
155.07027	9.1
164.04216	4.0
164.07059	82.4
164.08252	4.0
165.07440	2.4
166.98619	1.9
167.00279	1.0
167.03423	1.4
171.55553	1.4
180.56097	1.4
181.04962	1.5
182.00896	2.1
182.05290	3.5
182.08101	70.8
182.12733	1.5
182.15350	1.7
183.06546	2.2
183.08284	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0813
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
50.04528	0.4
53.03939	1.2
55.01867	0.5
55.05505	2.8
56.05023	0.8
56.96565	3.7
57.03432	0.5
58.03614	0.4
59.06106	0.4
60.20926	0.3
65.03921	1.5
66.04687	0.4
67.05493	1.5
68.05009	0.6
68.90137	0.3
69.03416	1.6
70.06585	0.8
70.18329	1.8
72.04504	0.5
74.02419	0.6
79.05486	1.4
80.05001	0.4
81.03409	1.7
81.07050	1.5
83.04989	0.8
83.06122	0.6
83.08607	1.4
85.02901	1.5
85.06549	0.5
85.68451	0.4
86.06028	0.4
90.01604	0.4
91.05480	35.5
92.05836	0.7
93.03387	0.7
93.07047	0.7
94.06567	1.8
95.04973	7.4
95.06071	1.3
96.04478	0.7
97.02897	1.6
98.06050	1.4
98.07131	0.5
98.21045	0.7
98.97578	3.2
98.98469	1.9
99.33504	0.4
101.70612	0.4
103.05458	1.0
105.03388	1.6
105.85565	0.4
107.04962	1.3
108.05309	0.5
108.08123	2.5
109.06538	3.4
109.07651	0.9
110.06085	0.7
111.04455	1.2
112.55735	0.6
113.05928	1.9
115.13992	0.5
116.98624	3.2
118.03653	0.7
118.06529	2.3
119.04943	37.1
120.05294	0.6
121.06526	0.8
122.06026	1.4
122.06835	0.5
123.04430	14.4
123.05405	0.6
124.04684	0.5
124.07590	0.9
125.07124	0.8
127.05623	0.6
128.02330	1.5
128.98616	0.4
133.02852	1.1
134.06009	0.5
134.99655	2.3
135.56960	1.2
135.79103	0.4
136.07578	100.0
137.02907	0.8
137.05945	1.4
137.06924	0.5
137.07968	1.5
138.02699	0.8
139.03906	1.0
140.04602	0.6
140.07092	0.6
140.08202	1.0
146.03197	0.5
146.99713	0.5
147.04390	4.9
152.07104	0.8
153.05478	3.2
154.04984	0.6
154.08629	1.4
155.07007	0.4
155.08162	0.5
158.99655	1.2
160.04561	0.5
164.04266	1.9
164.07039	2.2
164.08247	0.6
164.10574	0.4
165.05472	5.2
165.06691	0.6
166.98604	0.6
167.03352	1.4
177.00691	2.0
181.04965	2.1
181.06390	0.5
182.00937	0.8
182.05797	2.6
182.08128	6.4
182.09436	0.6
182.11627	0.6
183.02872	0.8
191.05904	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0813
Annotation	L-Tyrosine
Peak:m/z	Relative Intensity
51.35583	0.4
53.03945	0.7
55.01873	0.5
55.05514	1.4
56.96568	8.7
57.03433	1.6
58.06601	0.5
58.99870	0.5
61.02909	0.9
67.05495	0.9
69.03429	2.7
69.96120	1.8
69.96521	0.5
70.98148	0.4
71.04974	0.6
71.95256	0.4
73.02914	1.5
75.00522	0.3
77.00903	0.8
80.05014	0.5
81.03423	1.3
81.07049	1.3
82.01431	0.5
82.06564	0.6
83.04959	0.4
83.08608	0.4
84.04482	0.4
84.96019	1.1
85.02895	2.9
90.01563	0.6
91.04910	0.4
91.05480	7.3
93.05765	0.8
93.07007	0.5
95.04964	4.0
96.08148	0.4
97.02885	3.7
97.06537	0.4
98.03146	0.4
98.97587	6.9
99.04469	0.9
99.97923	0.4
100.02516	1.7
101.00822	0.8
106.06516	0.4
107.04955	0.8
108.07430	0.6
108.08118	8.1
109.02877	0.5
109.06522	0.4
110.01345	0.4
110.97572	0.8
112.99163	0.5
115.02444	0.4
116.00224	1.0
116.01228	0.3
116.98619	3.7
118.03529	1.2
118.06541	1.0
119.01889	3.9
119.03664	0.4
119.04937	7.7
121.06521	0.3
122.06020	0.4
122.94096	0.4
123.03072	0.5
123.04438	9.0
127.03982	0.4
128.02316	0.9
128.98616	1.4
131.00177	0.6
131.01903	2.2
131.02725	0.3
132.10127	0.4
133.03441	1.3
134.01271	0.6
134.99655	1.5
136.07576	100.0
137.02928	0.9
137.06009	0.5
137.07938	1.9
140.98634	0.5
142.03523	0.4
143.00139	0.5
144.99815	2.5
145.03424	0.6
146.99617	1.3
147.03271	0.5
147.04402	2.6
147.07065	0.4
147.54678	0.4
148.02818	0.6
149.01239	0.5
149.02997	0.8
151.69255	0.3
154.03523	0.8
158.99683	1.7
159.05019	0.7
160.04491	0.8
161.01172	1.1
161.02954	0.6
164.05690	0.4
164.07072	7.2
164.10738	0.4
165.05455	4.1
168.01413	0.6
170.05132	0.5
170.99702	0.5
173.01234	0.5
174.04378	1.0
177.00691	3.2
177.02431	2.7
177.04166	0.5
177.06143	0.4
182.08128	26.2
182.11542	0.7
183.08417	0.5
189.00706	0.8
191.05721	0.5
192.04904	0.4
195.01830	0.6
195.03471	0.6
201.00546	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
54.29055	0.5
55.01875	6.2
55.05509	22.2
56.96562	16.0
57.03435	1.2
57.07069	2.4
59.05013	0.9
65.03937	0.8
67.05502	6.6
69.03422	1.0
69.07070	4.5
71.03798	1.2
71.04984	0.9
71.95267	2.0
72.04504	0.6
79.05484	6.5
81.03445	0.7
81.07056	8.9
83.04977	71.9
83.08611	5.2
84.05315	1.0
85.06546	1.4
86.06089	0.5
91.05443	2.8
93.07036	8.8
95.04954	2.8
95.08600	6.1
97.06534	3.6
97.10159	2.1
98.97581	37.5
105.07012	0.8
107.04971	1.6
107.08588	6.7
109.06538	0.6
109.10171	2.0
111.04428	1.4
111.08084	5.2
113.09634	0.7
116.98615	57.7
117.03352	0.8
117.07014	0.7
117.98952	0.7
119.08615	1.2
121.06499	1.4
121.10143	6.5
123.08121	0.6
123.11673	0.9
125.05977	4.3
125.09666	1.3
134.99654	100.0
135.04408	1.6
135.08041	1.5
135.11623	2.5
136.00034	1.2
137.02368	0.8
139.03894	3.3
140.00172	4.4
145.02838	0.6
145.10141	1.6
147.64082	0.5
153.00706	26.3
153.05455	0.7
154.01099	0.6
158.01250	16.3
163.03897	2.7
163.07544	2.1
163.11180	5.2
163.14807	1.4
166.07796	0.6
176.02263	3.6
181.02838	1.4
181.05054	1.3
181.06422	1.2
181.08586	1.7
181.10048	0.6
181.12210	4.5
181.15854	6.9
182.08134	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
55.05504	8.9
56.96560	13.0
57.07088	21.8
67.05481	3.3
69.07064	4.0
69.36632	30.0
71.05009	3.9
79.05498	11.2
81.03413	6.6
81.07069	7.8
82.57191	3.5
83.04986	47.4
90.02591	3.4
91.05489	5.3
93.07036	10.7
95.04964	19.5
95.08595	5.5
97.06532	27.2
98.97583	31.0
102.59288	3.2
105.07028	7.0
106.98673	3.7
107.04951	5.1
107.08576	20.2
116.98621	45.9
119.08591	6.8
121.06458	8.3
121.10151	23.8
125.06009	59.7
134.99657	100.0
135.04413	5.1
135.08080	3.5
135.11716	9.7
137.02338	6.2
139.03993	3.4
140.00183	5.1
145.02846	5.4
145.10153	15.3
153.00706	25.0
158.01302	12.7
160.16980	3.7
163.03923	11.9
163.11182	88.9
168.50647	3.6
173.58646	3.3
181.04999	8.4
181.08560	5.0
181.12233	27.7
182.00891	4.1
182.05779	8.4
187.26758	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	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03931	1.1
55.05509	3.4
56.96566	2.4
57.07074	23.6
59.04991	3.6
61.76527	1.0
67.05500	2.9
69.07058	4.4
69.92042	3.2
69.92460	3.1
79.05486	10.3
81.03409	6.3
81.07052	4.4
83.04984	56.8
91.05473	3.1
93.07055	12.0
95.04970	17.4
95.08603	2.1
97.06527	24.7
98.97576	6.0
105.07017	5.8
107.04946	2.5
107.08592	13.0
109.06509	1.4
116.98634	12.9
117.07006	3.0
119.08575	4.4
121.06500	4.7
121.10146	15.0
125.05990	61.7
130.07765	1.7
134.99672	20.1
135.10747	1.2
135.11673	6.4
145.10120	14.0
153.00719	5.2
155.68140	1.1
158.01256	3.8
163.03922	1.7
163.11183	100.0
164.11578	3.4
166.07753	2.6
181.06348	1.9
181.10396	1.7
181.12219	23.0
181.13702	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0859
Annotation	80638-48-8
Peak:m/z	Relative Intensity
52.28599	0.4
53.03930	2.0
55.01855	1.6
55.05494	1.6
56.05044	0.5
56.96562	2.5
57.03432	0.7
57.07055	0.5
59.04990	0.6
59.06107	0.7
61.43033	0.4
63.15409	0.4
64.09240	0.4
65.03933	3.1
66.04723	0.7
67.05508	3.2
68.05006	1.0
68.99779	1.1
69.03413	1.7
69.07046	1.2
69.43359	4.4
71.04969	0.8
77.03912	0.5
78.04704	2.6
79.05490	6.0
80.06275	0.7
81.03397	1.8
81.04515	0.6
81.07050	3.0
83.04961	1.8
83.08614	0.4
85.02895	0.8
85.06496	0.4
89.03913	3.1
90.04712	2.4
91.05476	11.8
92.02626	0.6
92.06265	1.1
93.03387	1.3
93.07045	5.3
95.04972	8.6
95.06075	0.9
95.08599	1.3
96.04506	0.4
97.02891	1.5
97.06509	2.3
97.07671	0.6
98.97573	5.0
103.05457	1.1
105.03374	1.6
105.06992	1.4
106.04149	1.9
107.04957	5.5
107.08599	3.1
108.05717	1.6
109.06509	4.1
109.07609	0.5
109.10140	0.7
110.03676	1.0
110.07276	0.6
111.04451	1.2
111.05531	0.5
111.08060	0.8
116.98619	6.6
117.03378	1.0
117.07016	1.2
118.04204	1.1
119.04938	1.2
119.08572	1.2
120.05701	1.6
121.02844	0.7
121.06493	4.9
121.10123	4.2
122.03628	1.9
122.06035	0.7
122.07156	1.4
123.04430	6.2
123.08040	1.2
125.05980	1.9
125.06971	0.5
134.03595	0.7
134.99664	8.4
135.04408	3.7
135.08041	1.9
135.11707	1.7
136.05211	2.8
136.07576	1.0
136.08676	0.5
137.02316	5.3
137.05972	16.9
137.09552	0.9
138.03142	0.9
138.06779	7.1
139.07503	0.7
139.09714	0.8
140.08150	0.7
145.02843	1.4
145.10071	1.4
148.05186	54.6
149.05978	2.1
151.03883	6.4
151.07512	0.7
151.40938	0.4
153.00702	1.8
153.01839	1.1
153.05496	0.7
153.06834	0.5
153.09055	0.5
158.01254	0.8
163.03896	5.7
163.07553	0.8
163.09943	0.7
163.11171	2.7
163.14774	1.0
164.07047	0.7
164.10751	1.1
165.05452	1.7
166.02579	1.9
166.06302	2.3
166.07545	0.6
167.03423	0.7
181.05151	6.5
181.08588	100.0
182.09074	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	181.0859
Annotation	U 0521
Peak:m/z	Relative Intensity
55.01855	0.5
55.05496	1.3
56.96328	0.5
56.96560	5.3
57.03435	100.0
58.03752	0.7
58.95894	0.5
65.03921	0.8
67.05490	1.2
68.05024	0.4
69.03432	0.6
69.07055	0.6
69.19180	0.6
70.84086	0.9
79.05473	1.7
81.03395	0.6
81.07052	1.2
83.04971	0.8
89.03932	0.5
91.05466	2.3
93.07041	4.3
95.04964	2.1
98.97579	12.0
99.05568	0.8
103.05459	1.1
105.07015	0.8
107.04943	1.5
107.08592	3.0
111.04457	1.0
111.08086	0.7
115.02281	0.6
116.97822	1.0
116.98617	16.5
117.99012	0.5
119.08532	1.0
121.06471	1.8
121.10155	4.2
122.07169	0.6
124.02763	0.5
125.05985	1.5
134.99657	22.1
135.04384	1.5
135.08034	0.6
135.11699	1.7
136.04619	0.8
136.07565	0.9
136.15643	0.4
137.05913	0.8
139.07520	0.7
140.00175	1.0
140.08186	0.6
145.05157	1.7
145.10115	1.0
148.05093	0.5
149.06015	1.0
153.00690	4.9
153.05507	0.5
158.01251	2.6
158.87439	0.5
163.03868	1.2
163.09825	0.6
163.11195	1.5
163.14696	0.6
166.07787	0.5
181.05101	3.2
181.06514	1.1
181.08583	14.0
181.12199	2.0
181.15845	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	1.6
53.03938	3.4
55.01866	3.9
55.05510	6.8
56.05033	1.9
56.96561	11.6
57.03434	2.0
57.05767	0.9
57.07055	1.0
58.06590	1.2
59.06110	2.3
63.02371	1.1
65.03938	12.6
67.02979	0.9
67.05502	7.6
68.05036	5.4
68.99805	1.1
69.03431	4.8
69.04556	1.2
69.07053	3.2
70.06594	8.3
71.01321	1.2
71.04987	1.7
71.06103	1.7
71.57628	1.3
72.04498	0.9
73.02882	1.0
74.02439	1.9
79.05489	13.9
80.05016	2.7
81.03421	4.6
81.04541	3.4
81.07034	5.5
82.04192	3.6
82.06578	2.0
83.04981	6.0
83.06096	5.8
83.08617	2.6
84.04494	2.7
85.02891	6.9
85.07655	2.2
86.29776	0.8
89.03409	1.2
89.03923	19.7
89.52441	0.8
90.04694	1.3
91.05477	23.3
92.02625	1.6
93.03406	3.5
93.07042	9.1
94.06567	3.1
95.01304	1.5
95.04973	11.0
95.06083	3.8
95.08617	2.9
96.04484	2.2
97.02888	4.7
97.03987	0.9
97.06546	4.9
97.07645	3.2
98.06057	3.6
98.07172	1.6
98.97577	11.0
99.04487	1.2
99.05575	2.3
103.05447	4.8
105.03371	1.1
105.04520	2.5
105.07066	2.0
106.06514	0.9
107.04961	16.9
107.06069	3.9
107.07386	1.1
107.08601	4.7
108.02101	2.0
108.04492	1.6
108.05743	4.4
108.08113	3.1
109.02879	1.6
109.06501	3.3
109.07640	3.4
110.03659	5.4
110.06059	2.4
110.07191	1.8
111.04451	12.9
111.05584	0.9
111.08041	2.4
111.09270	1.0
111.54958	3.2
112.32870	0.9
112.55744	47.2
113.05926	7.7
113.07108	1.3
116.98614	12.7
117.03384	21.1
117.07024	1.9
118.06540	2.7
119.01826	3.5
119.04936	12.8
120.05643	1.1
120.08068	0.9
121.02870	3.9
121.06506	8.2
121.10123	4.7
122.06021	3.2
122.07178	4.7
123.00787	1.6
123.04431	6.6
123.05470	1.9
123.08018	1.4
124.08717	2.9
125.02350	2.3
125.06039	5.5
125.07075	6.0
126.06325	1.6
126.55479	15.1
127.03881	0.9
127.05633	2.1
128.02336	3.2
133.07062	3.4
133.57240	0.9
134.06078	1.4
134.07153	1.3
134.99661	16.7
135.04417	49.4
135.06795	48.6
135.08025	5.8
135.11711	2.5
135.56984	6.2
136.04825	1.3
136.07582	32.5
136.08650	2.1
137.02336	42.5
137.05972	6.6
137.06999	1.4
137.08199	1.1
138.03096	3.6
138.06639	1.6
138.09145	1.1
139.03929	7.7
139.07550	2.6
140.08160	3.1
145.02840	22.1
145.03973	1.6
145.10100	1.2
146.07057	1.3
146.99667	2.2
147.04445	1.7
149.02336	3.2
149.05992	3.0
151.03902	1.6
151.07561	1.3
151.09760	1.1
153.00700	3.4
153.01862	12.5
153.05486	8.8
153.07011	3.3
153.09094	2.1
153.10199	2.1
154.08667	1.4
154.09741	1.4
158.99707	2.2
163.03903	100.0
163.07594	2.5
163.09920	1.2
163.11217	2.8
164.04283	2.9
164.07056	2.6
164.08260	2.4
165.05557	1.6
165.07063	1.1
166.02621	15.9
166.06274	1.2
167.03352	2.3
169.01424	1.0
169.04523	1.0
171.06558	3.7
176.02409	0.9
177.00713	4.7
178.07896	1.0
179.08630	2.3
181.01430	2.3
181.04974	48.1
181.06450	9.3
181.08507	2.6
181.09726	6.8
181.10927	4.5
181.12279	4.1
182.05647	2.6
182.08151	3.5
184.03685	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	181.0495
Annotation	CHEBI:69195
Peak:m/z	Relative Intensity
50.01609	0.6
51.02386	0.5
52.03154	0.5
53.00322	0.5
53.03943	2.8
54.03467	0.5
54.46737	0.4
55.01856	3.2
55.05503	2.1
56.05025	0.9
56.96557	3.6
57.03434	0.7
57.04559	0.6
57.07070	0.6
58.06600	0.6
59.06123	1.3
60.60588	0.4
65.03941	7.6
67.03001	0.7
67.05498	4.6
68.05033	2.3
68.99783	1.2
69.03428	2.7
69.07079	1.6
70.06586	0.9
70.39926	2.0
71.01351	0.5
71.04987	0.8
77.03937	1.1
78.04720	0.9
79.05488	7.8
80.05006	0.8
81.03419	2.9
81.04533	0.7
81.07044	2.8
82.02945	0.5
82.04221	2.3
82.06585	0.9
82.21013	0.4
83.04977	1.9
83.06100	2.7
84.04492	0.9
84.06931	0.7
84.08147	0.7
85.02917	2.4
87.05599	0.7
89.03924	3.3
91.05482	20.5
92.02629	3.4
92.06268	0.6
93.03410	1.6
93.07041	15.5
94.04142	0.5
94.06596	1.0
95.04970	12.2
95.06088	1.8
95.08613	1.9
96.05686	0.5
97.02880	2.0
97.06519	2.5
97.07665	1.9
98.06058	0.9
98.07187	0.8
98.97588	4.2
99.05579	1.8
99.09142	0.5
101.07123	0.7
103.05472	7.8
105.03390	0.8
105.04508	1.5
105.07039	1.6
106.04183	0.7
107.01340	0.6
107.04958	14.4
107.06069	0.6
107.08600	4.8
108.02109	1.7
108.05766	0.6
108.08143	0.4
109.02879	1.7
109.06509	1.8
109.07632	1.9
109.10179	0.5
110.03668	5.7
110.07181	0.9
111.04440	5.8
111.08034	1.3
114.06636	1.2
115.05493	0.5
116.98618	7.2
117.03400	2.7
117.06999	1.0
119.04951	3.1
119.08601	1.6
120.02106	1.6
120.05734	2.3
121.02865	2.3
121.06504	15.8
121.07388	1.0
121.10158	4.5
122.06025	2.1
122.07166	3.0
123.00798	1.5
123.04427	4.5
123.05517	1.4
123.08018	1.1
123.11717	0.5
124.07576	0.5
124.08719	1.3
125.02338	2.4
125.05990	5.4
125.07027	1.0
127.03920	1.6
131.04947	1.2
133.02844	2.5
134.99661	11.3
135.04420	19.8
135.08070	3.9
135.11690	2.0
136.04965	0.6
136.07559	1.8
136.08710	2.1
137.02339	100.0
137.05965	4.5
137.07065	1.4
137.09593	0.8
138.03200	5.3
138.06735	2.3
138.10265	0.9
139.03915	3.3
139.07550	1.4
139.09816	1.0
140.00212	0.6
140.08189	2.1
141.09010	0.8
145.02850	4.2
145.10098	2.3
147.04404	1.3
148.05176	2.4
149.02339	0.9
149.05984	4.6
151.00261	0.5
151.03906	3.1
151.07587	1.6
151.09741	0.5
153.00714	2.5
153.01823	30.3
153.05473	4.7
153.06737	1.1
153.09109	1.3
154.02223	1.0
154.09727	1.4
158.01271	0.6
163.03906	33.6
163.07535	2.5
163.09850	1.0
163.11192	2.6
164.04349	0.8
164.07047	1.0
164.08287	6.4
164.10612	1.1
165.01820	2.9
166.02618	35.5
166.06256	8.5
167.03047	0.8
169.01338	1.0
171.06552	1.5
181.01468	1.7
181.04961	79.7
181.08533	19.2
181.10989	3.7
181.12274	2.5
182.05513	2.2
184.03667	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	181.0495
Annotation	CHEBI:69195
Peak:m/z	Relative Intensity
53.03942	5.1
54.03469	1.3
55.01874	6.2
55.05501	6.6
56.05022	4.3
56.96565	11.3
57.03416	2.1
57.07063	3.0
59.06113	3.0
60.04474	1.3
62.50981	1.1
65.03937	9.3
67.02998	2.0
67.05509	7.1
67.05787	1.2
68.05032	7.9
68.99781	2.3
69.03428	6.0
69.04544	2.1
69.07070	3.1
69.91213	2.4
69.91624	4.3
70.06588	3.1
71.01350	2.3
71.04985	2.1
72.08165	1.7
73.02918	1.6
74.06069	1.2
79.05495	20.3
80.05017	2.7
81.03421	8.4
81.04534	4.2
81.07047	5.9
82.04179	1.3
82.05313	1.6
82.06567	2.7
83.04965	5.3
83.06091	9.4
83.08603	1.9
84.04486	3.6
85.02891	2.6
85.07673	2.5
86.06071	1.9
89.03916	12.9
91.04951	2.1
91.05476	15.3
92.02633	2.8
93.03400	3.8
93.07049	10.7
94.06557	3.0
94.58292	1.2
95.01305	1.6
95.04969	12.3
95.06075	6.9
95.08591	4.0
96.04498	1.9
96.06884	1.5
97.02890	8.8
97.06522	6.0
97.07645	5.3
98.06033	1.6
98.07191	2.4
98.21243	3.0
98.97604	5.9
99.05573	4.9
102.31032	1.4
102.81844	1.4
103.05476	4.2
105.07022	2.3
107.04951	29.4
107.06071	2.5
107.08598	7.6
108.02077	1.5
108.08100	2.8
109.02868	3.8
109.06541	3.2
109.07655	7.2
110.03659	4.6
110.07148	2.4
111.04440	15.8
111.05552	4.5
111.08025	3.6
114.06664	2.6
116.98614	11.5
117.03374	13.3
117.07037	1.8
119.01825	2.6
119.04943	2.5
119.08582	3.4
120.05625	1.7
121.02847	3.7
121.06482	7.4
121.10102	6.7
122.05949	2.2
122.07172	6.7
123.00755	1.6
123.04410	7.1
123.05531	3.2
123.07950	2.1
124.07624	1.1
124.08696	4.8
125.02375	3.7
125.05976	9.7
125.07108	3.9
125.09566	1.3
126.87855	1.2
127.03905	2.8
128.02272	2.5
131.04901	1.7
134.99658	19.8
135.04419	56.9
135.06793	2.1
135.08000	7.3
135.11693	2.9
136.07567	15.2
136.08687	4.1
137.02335	99.7
137.03281	4.4
137.05975	11.7
137.06996	2.7
138.03162	6.4
138.06573	1.8
139.03906	22.5
139.04907	2.3
139.07524	1.4
139.09700	1.8
139.11201	1.5
140.08133	6.0
141.08974	2.2
145.02835	17.0
146.99681	1.3
149.02316	4.2
149.05989	1.9
151.03912	3.8
151.07533	2.1
153.00705	5.8
153.01828	35.7
153.05487	14.6
153.06812	1.7
153.09071	3.4
154.09718	3.7
158.01242	1.3
163.03906	100.0
163.07495	2.4
163.09882	1.9
163.11160	4.7
163.14882	1.8
164.04259	3.4
164.07057	5.2
164.08240	3.2
165.01846	2.7
166.02606	35.0
166.06235	1.6
166.09544	1.2
177.00571	1.4
181.04959	96.4
181.06320	4.0
181.08324	6.4
181.10826	13.1
181.12244	5.4
181.15854	2.3
182.00870	1.8
182.05472	1.8
182.08113	1.8
184.03700	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	181.0494
Annotation	CHEBI:69195
Peak:m/z	Relative Intensity
50.71584	0.3
53.03945	2.3
55.01870	2.0
55.05502	1.3
56.05020	0.4
56.15905	0.3
56.96561	1.9
57.03433	1.5
57.07073	1.0
59.04984	0.5
59.06132	0.7
65.03939	6.5
66.43007	0.3
67.05508	4.0
68.02641	0.6
68.05049	0.9
68.99786	1.0
69.03446	2.1
69.07070	1.5
70.18261	0.3
71.01352	0.5
71.05000	1.5
71.06099	0.4
71.58214	0.4
71.58562	0.3
74.06068	0.4
77.03918	0.4
79.05496	5.6
81.03411	2.7
81.07057	3.4
82.04202	2.3
82.38003	0.3
83.04974	2.2
83.06101	0.8
83.08624	0.5
85.02913	2.3
85.06549	0.6
89.03931	0.5
91.05476	6.5
92.02631	3.9
93.03420	1.8
93.07047	9.4
95.01334	0.6
95.04974	5.6
95.06104	0.9
95.08593	2.2
96.04501	0.3
97.02888	1.4
97.04020	0.4
97.06529	2.9
97.07648	0.6
97.10180	0.5
98.07162	0.3
98.97588	3.2
99.05585	0.5
103.05463	1.9
105.03429	0.5
105.04550	0.4
105.07037	2.7
107.04953	3.2
107.08595	4.0
108.02104	1.7
109.02883	1.4
109.04874	0.3
109.06490	2.3
109.10207	0.4
110.03675	4.1
110.07171	0.4
111.04454	3.1
111.08063	0.8
114.06801	0.4
116.98627	5.0
117.07043	1.0
119.04942	0.7
119.08576	1.4
120.02058	1.6
121.02876	3.7
121.06506	6.0
121.10140	10.4
122.07133	1.2
123.00756	1.6
123.04429	2.8
123.05467	0.5
123.08082	2.1
123.08910	0.4
124.08783	0.5
125.02347	2.8
125.05981	4.8
125.11626	0.3
127.03915	1.3
134.99664	6.7
135.04425	4.3
135.05441	0.5
135.08055	1.8
135.11682	2.5
136.07570	0.7
136.08635	0.5
137.02342	100.0
137.09601	0.7
138.03185	6.3
138.06557	0.7
139.03915	1.3
139.06543	0.5
139.07549	0.9
139.09796	0.4
139.11176	0.7
140.08194	0.8
142.02635	0.6
145.02812	0.4
145.10147	3.8
147.04355	0.3
148.05116	0.4
149.01213	0.5
149.02345	0.4
149.06027	2.3
151.00288	0.9
151.03966	1.7
151.04936	0.4
153.00729	2.0
153.01828	30.7
153.05452	3.3
153.06696	0.4
153.09081	0.8
154.02237	0.7
154.09804	0.5
158.01256	0.6
158.99609	0.3
163.03902	5.0
163.07542	1.3
163.09866	0.7
163.11183	5.6
164.07030	0.5
165.01840	2.5
166.02621	36.7
166.06274	1.1
167.03009	1.3
169.01344	0.8
171.06509	1.1
177.00742	0.6
181.04964	80.1
181.10786	1.2
181.12260	3.0
182.00862	0.4
182.05292	2.8
184.03679	6.7
188.24071	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0494
Annotation	CHEBI:69195
Peak:m/z	Relative Intensity
52.03175	0.3
53.03938	1.6
55.01866	2.0
55.05510	8.9
56.96566	5.0
57.03425	0.7
57.07072	3.4
59.04988	0.3
65.03938	4.6
67.05499	5.5
68.02643	0.5
68.99782	0.4
69.03424	1.2
69.07070	2.4
70.16306	0.2
71.01363	0.5
71.04990	1.2
71.59117	0.4
71.59536	0.3
71.95281	0.7
74.09729	0.3
75.04471	0.5
77.03922	0.3
78.04695	0.4
79.05486	4.7
80.04990	0.3
81.03412	2.5
81.07056	4.4
82.04209	1.1
83.04983	5.0
83.08614	1.2
85.02895	0.9
85.06557	1.7
90.96722	0.3
91.05476	7.4
92.02619	2.7
93.03420	1.6
93.07038	11.3
94.04191	0.4
95.04965	6.9
95.08606	6.3
95.09167	0.5
95.51785	0.3
96.02115	0.3
97.02908	0.4
97.06531	5.8
97.10181	0.3
98.06007	0.4
98.96932	0.6
98.97578	10.7
103.05447	2.8
105.04520	0.8
105.07028	3.2
106.04196	0.7
107.01325	0.5
107.04948	1.3
107.08586	10.3
108.02074	1.3
108.04402	0.3
109.02883	1.2
109.06507	2.5
109.10152	1.0
110.03646	3.6
110.05566	0.3
111.04439	16.1
111.08077	2.4
112.04749	0.3
113.06009	0.8
115.05399	0.3
116.98616	16.5
117.03366	0.3
117.07013	1.1
119.04913	0.5
119.08607	1.5
120.02059	0.8
120.09391	0.4
121.02872	1.4
121.06502	7.0
121.10151	3.6
122.07157	0.5
123.00793	0.9
123.04456	0.9
123.08085	1.4
123.11704	0.3
124.05249	0.3
125.02343	2.3
125.05987	17.6
125.09639	0.6
126.06377	0.3
127.03912	1.5
127.07520	0.7
129.07051	0.3
130.07782	1.0
134.99652	31.4
135.04399	1.3
135.08049	5.4
135.11684	6.8
135.99959	0.4
136.07578	0.3
137.02335	100.0
137.13196	0.3
138.03181	3.6
138.06723	1.4
139.03903	0.5
139.07608	1.3
140.00218	0.9
140.08182	0.5
143.08641	0.3
145.02826	0.5
145.10117	4.9
148.05176	0.3
149.05978	2.9
151.00294	0.8
151.03908	0.5
152.07091	0.3
153.00690	7.7
153.01831	31.6
153.05412	1.0
153.07281	1.0
153.09109	0.8
153.12723	1.6
154.02177	0.7
158.01244	4.1
163.03928	2.0
163.07527	0.5
163.11169	8.0
163.14824	0.6
165.01865	2.5
166.02612	35.4
166.07790	0.6
167.02986	1.1
167.07021	0.3
169.01315	0.8
176.02348	1.0
177.91922	0.3
181.04950	67.9
181.12221	12.4
181.15762	0.7
181.64879	0.2
182.00914	0.4
182.05333	2.3
184.03662	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	181.0494
Annotation	CHEBI:69195
Peak:m/z	Relative Intensity
51.83265	0.5
53.03947	2.7
55.01873	1.9
55.05510	4.0
56.05029	0.9
56.96569	3.7
57.03429	1.1
57.07076	1.3
59.06141	1.0
65.03935	6.1
67.02969	0.5
67.05507	4.3
68.05032	1.1
68.99773	0.8
69.03426	3.2
69.07074	2.7
70.06580	0.8
71.01342	0.5
71.05000	1.1
71.58481	0.8
75.06255	0.6
77.85504	0.5
78.04697	0.4
79.05488	8.2
81.03417	1.2
81.04535	1.1
81.07063	4.8
82.04207	0.6
82.06565	0.7
83.01350	0.6
83.04977	5.4
83.06100	1.0
83.08606	1.4
85.02902	1.6
85.06556	0.7
89.03940	1.0
91.05485	9.0
92.02634	0.7
93.03384	2.1
93.07038	14.2
95.04974	9.6
95.06073	1.1
95.08606	3.4
96.04494	0.8
97.02898	1.6
97.06522	3.9
97.07661	0.6
98.06011	0.5
98.07169	0.9
98.97578	4.8
99.04462	0.5
99.05568	1.1
103.05482	2.5
105.03392	1.5
105.04517	1.5
105.07019	3.8
106.04166	0.5
107.04947	3.0
107.08592	7.9
109.06525	2.9
109.07636	0.9
109.10159	1.5
110.03634	1.2
110.07179	0.9
111.04444	4.5
111.08055	1.9
113.07122	0.5
116.98618	10.1
117.03360	0.9
117.07016	1.4
119.04908	0.8
119.08585	2.5
120.43493	0.5
121.02866	12.1
121.03960	1.6
121.06503	8.3
121.10138	16.6
122.07158	1.4
123.04417	3.2
123.05545	0.9
123.08045	2.4
123.11721	0.8
125.05999	3.7
125.09623	0.8
127.07560	0.7
130.07780	0.5
133.02829	7.2
134.99654	18.6
135.00665	1.1
135.04408	10.0
135.08025	3.3
135.11685	5.0
136.07567	1.6
136.08687	1.4
137.02332	8.1
137.05975	1.7
137.07010	0.8
137.09622	1.6
138.03061	1.0
138.06662	0.9
139.03899	3.3
139.07524	1.8
139.09758	1.0
139.11150	1.4
140.00165	0.8
140.08195	1.8
145.02838	0.6
145.10162	4.1
148.05249	1.1
149.02335	100.0
149.06004	2.4
149.67354	0.5
150.02673	2.5
153.00699	4.8
153.01826	2.5
153.05460	1.4
153.06981	0.8
153.09093	0.7
158.01228	1.8
163.03900	71.9
163.07433	2.3
163.09810	0.6
163.11150	8.6
163.14827	1.0
164.04279	2.4
164.07039	1.9
164.08269	0.9
165.07050	0.6
166.02628	3.5
166.06282	1.0
166.07622	0.6
167.03416	2.4
168.67128	0.5
171.06519	1.1
181.01434	1.0
181.04936	11.5
181.06560	2.2
181.08566	6.4
181.10788	1.9
181.12225	5.6
181.15884	1.2
182.00923	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.6
53.03950	3.5
55.01852	0.3
55.05504	0.4
55.31740	0.2
56.96550	0.7
57.03410	0.3
58.06601	12.6
65.03942	1.6
67.05501	0.8
69.03420	0.3
70.34088	0.2
70.34426	0.9
77.03919	0.8
79.05493	0.6
81.03408	0.6
81.07055	0.2
82.04187	0.7
85.02885	0.9
91.05471	0.9
92.05827	0.4
93.07029	0.4
94.05067	0.2
95.04965	7.6
97.06548	0.4
98.97585	1.0
105.03391	100.0
106.03716	2.8
108.02085	0.2
108.04509	0.5
108.05269	0.2
110.03651	0.7
111.04428	0.6
111.08073	0.3
116.98628	1.0
120.08099	0.5
120.08883	0.3
121.06508	0.8
121.10146	0.3
123.00838	0.2
123.04422	0.4
124.04769	1.0
125.05978	0.6
133.02849	0.2
134.03145	1.2
134.05977	0.4
134.99638	0.5
135.04424	0.4
137.02324	0.3
137.06001	0.3
138.03122	0.4
142.02628	0.3
151.03883	0.3
152.07089	0.5
162.09122	3.6
163.03882	0.6
163.07574	0.9
164.72997	0.2
171.06537	1.1
180.03781	2.0
180.06499	0.3
180.10162	1.3
180.12456	0.3
181.05000	3.6
181.06595	0.4
181.08594	0.8
199.89020	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	180.0656
Annotation	p-(Acetylamino)benzoic acid
Peak:m/z	Relative Intensity
53.03955	0.8
55.01873	0.4
55.05509	0.4
56.05044	0.3
56.96569	0.9
57.54910	0.2
61.38729	0.2
65.03943	1.3
66.04272	0.2
66.04719	0.2
67.05504	0.5
68.05025	1.2
68.99807	0.5
69.03432	0.6
69.43831	1.2
69.44244	0.5
70.06588	0.6
71.05016	0.3
72.08121	0.2
74.02441	4.3
79.05489	19.8
80.05015	3.2
80.05814	0.4
80.06273	0.7
81.03429	0.8
81.04539	0.2
81.07053	0.5
82.06602	0.2
83.04985	0.3
83.06090	0.4
84.04494	0.4
84.08145	0.5
85.02921	0.3
86.09711	0.3
87.03184	0.2
88.03957	0.2
89.03926	0.7
90.04700	0.2
91.04894	0.3
91.05475	5.2
92.05007	1.9
92.05779	0.4
92.06285	0.3
93.03410	0.5
93.05793	0.5
93.07037	0.8
94.06568	1.2
95.04966	2.5
95.06084	0.5
96.04501	0.9
97.07673	0.4
98.97573	0.4
103.05460	0.3
104.05004	0.4
105.04537	0.3
105.07011	0.2
106.06551	44.8
107.04950	19.9
107.05727	0.3
107.06143	0.3
107.06788	0.5
107.07440	1.2
107.08599	0.5
108.04548	1.8
108.05732	7.2
108.08103	1.6
109.06509	0.3
109.07671	0.2
110.03537	0.4
110.06043	0.6
110.07173	0.3
111.04436	2.3
111.05576	0.2
112.07566	0.3
116.04983	1.0
116.98637	0.5
117.05778	1.3
117.07014	0.7
118.06538	8.2
119.04935	2.0
119.06813	0.3
120.04450	0.7
120.05302	0.6
120.08105	0.7
120.96556	0.2
121.02879	0.2
121.05253	0.3
121.06526	1.4
121.10157	0.2
122.06017	1.0
122.07120	0.2
123.04445	0.3
124.03944	1.2
124.04752	0.4
124.07568	0.5
124.08756	0.3
125.06036	0.3
125.06989	0.2
125.51424	0.2
131.01884	0.2
133.05260	1.2
134.06009	100.0
134.09508	1.5
134.99657	0.8
135.04417	4.0
135.06827	3.0
135.09071	0.4
136.07581	4.4
136.08604	0.3
137.06073	1.1
137.06943	0.3
137.08205	0.4
138.05490	4.3
138.06506	0.4
138.09174	0.3
139.03880	1.7
144.04410	0.5
144.05559	0.5
145.02823	0.3
145.06477	0.2
148.04762	0.6
151.03899	0.2
151.06245	0.3
152.04372	0.3
152.07066	4.1
153.00731	0.3
153.05464	0.3
162.03114	0.2
162.05449	2.3
162.09111	0.6
163.03934	1.5
163.06218	0.4
163.07516	0.3
165.09117	1.1
174.98520	0.6
180.03893	0.8
180.06532	14.8
180.09004	1.6
180.10156	0.6
180.17493	0.3
181.01328	0.3
181.04924	0.4
181.07286	0.5
181.10939	0.2
189.76971	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03947	7.9
54.89214	1.5
55.01869	13.5
55.05509	28.7
56.96552	1.7
57.03441	4.1
57.07071	2.9
65.03928	5.6
67.05503	100.0
69.03420	2.1
69.07061	13.0
70.17273	1.2
70.76205	3.5
71.05003	3.0
77.03928	3.3
79.05492	66.0
81.03419	21.1
81.07056	89.5
83.04979	30.2
83.08616	14.9
85.06546	2.5
91.05479	61.5
92.05801	1.8
93.07040	44.6
93.07630	2.1
95.04967	18.1
95.08608	68.5
97.06528	29.9
97.10174	2.5
98.20905	1.8
99.08081	2.1
102.26677	1.5
103.16617	1.6
105.03403	4.0
105.04523	1.8
105.07022	32.8
107.04990	1.4
107.08591	11.0
109.06536	9.6
109.10150	14.4
111.08115	6.9
113.09666	5.4
118.04169	2.7
119.04939	14.7
119.08580	34.1
121.06526	1.3
121.10151	6.2
123.04423	17.1
123.08025	6.9
130.80608	1.7
131.08546	1.8
133.02856	11.4
133.06487	5.4
133.10120	19.8
135.04395	3.2
135.11682	6.2
136.02238	1.7
137.05983	3.4
137.09613	4.6
146.03592	3.8
147.04419	18.6
151.03920	4.7
151.07483	1.5
161.06000	7.8
161.09619	4.5
161.13258	12.8
179.03383	41.7
179.06638	6.1
179.10699	5.5
179.14301	34.7
180.03767	3.3
192.56169	1.5
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
51.17035	1.2
53.03938	3.2
53.75126	1.6
55.01876	7.7
55.05272	1.8
55.05511	25.9
56.96557	2.2
57.03182	2.0
57.03437	21.2
57.07058	4.1
59.05003	6.6
62.78437	1.2
65.03950	2.4
67.05505	25.8
68.05034	1.6
69.03431	8.3
69.07069	18.7
69.45739	3.5
69.46146	8.8
71.04972	4.8
76.06834	1.3
77.03938	1.7
79.05499	26.8
81.03408	2.2
81.06584	3.2
81.07056	58.0
82.07359	1.4
83.04975	12.2
83.08589	7.4
85.06523	6.3
91.05485	44.2
92.05804	1.6
93.07043	69.2
94.06574	3.7
94.07405	1.4
95.04948	17.3
95.06060	2.1
95.08610	54.2
96.08932	1.7
97.06551	7.2
98.20723	1.4
99.08073	3.3
103.05464	2.9
105.03397	3.7
105.07029	76.0
107.04939	3.1
107.08595	89.5
108.04490	1.9
109.06521	80.0
109.10155	22.9
111.08055	4.4
115.05401	2.1
117.07005	3.2
119.04948	16.3
119.08585	45.2
120.08904	2.3
121.06490	7.1
121.10143	59.0
122.10535	1.5
123.04434	30.8
123.07190	2.7
123.08071	49.0
123.11686	7.3
125.09630	17.2
131.08571	6.7
133.02837	14.6
133.06467	4.2
133.10130	100.0
134.10484	4.2
135.11690	27.1
136.05238	2.6
137.05952	7.2
137.08212	5.3
137.09612	12.6
137.13281	11.6
143.08583	2.6
146.07237	2.6
147.04428	17.4
149.99405	1.3
151.03914	13.1
151.07530	5.5
151.11177	6.1
161.05977	6.1
161.09615	26.4
161.13257	62.1
179.03403	38.9
179.06935	9.9
179.10677	75.2
179.14302	85.1
180.03737	1.5
180.08055	3.1
180.11011	3.3
180.14810	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.02331	1.0
53.03927	4.4
55.01862	5.2
55.05262	1.4
55.05509	20.8
57.03441	5.1
57.07066	7.4
59.04995	1.0
65.03932	4.0
67.05503	96.9
68.05812	1.2
69.03430	9.0
69.07066	17.3
69.38391	6.8
69.38815	2.6
71.04999	6.8
71.08618	1.2
79.05488	24.9
81.03404	6.3
81.07052	66.8
83.04979	6.6
83.08611	3.7
85.06546	2.2
85.10170	1.3
91.05472	22.0
93.07040	29.1
94.06567	2.3
95.04967	23.9
95.08603	100.0
96.08928	2.3
97.06509	2.3
103.05450	1.0
105.03391	2.0
105.06389	1.6
105.07031	22.0
107.04929	3.4
107.08592	12.5
109.06509	14.1
109.10152	53.3
110.10505	1.7
111.08057	1.8
115.05453	1.3
117.06986	2.8
119.04948	3.9
119.08578	20.4
121.06432	1.0
121.10121	6.0
123.04429	9.6
123.08061	18.2
123.11721	2.0
133.02858	7.7
133.06506	2.8
133.10149	9.0
135.04420	2.1
135.11684	6.6
137.06000	1.3
137.09615	20.7
137.13210	1.5
146.03584	1.1
147.04384	5.5
151.03931	2.8
151.11223	2.3
151.14825	7.3
161.05972	3.2
161.09647	0.9
161.13271	8.8
162.26811	0.9
179.03394	21.5
179.06824	2.3
179.08502	1.3
179.10655	3.1
179.14305	46.8
180.14729	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.6
56.01396	15.4
67.05495	6.9
79.05458	4.4
81.07052	4.6
95.04910	4.8
95.06110	21.0
95.08595	4.6
95.61095	2.5
97.04036	13.7
105.07037	7.1
110.07146	3.9
119.04955	8.4
120.05604	3.0
123.04422	18.1
133.02847	11.4
133.06497	3.8
133.29442	3.1
135.04439	4.0
136.08669	3.9
137.07164	5.7
137.08217	100.0
138.06613	3.4
147.04388	10.1
151.03871	3.4
161.05991	10.4
161.08266	3.9
161.09634	3.6
170.80070	2.9
179.03380	58.0
179.06726	3.9
179.09267	20.6
179.10616	6.0
179.12897	6.8
179.14262	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	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03949	2.9
55.01867	10.9
55.05510	11.2
56.80755	1.3
56.96548	4.0
57.03432	7.4
57.07060	2.9
59.04989	1.8
65.03925	3.4
66.75580	1.2
67.05506	43.5
69.03404	4.2
69.07071	11.7
70.64859	4.6
71.04971	5.0
75.05514	1.2
77.03920	2.2
79.05061	2.5
79.05493	33.1
80.06320	1.3
81.03423	2.6
81.07056	100.0
81.12569	1.5
82.07394	1.8
83.04976	8.0
83.08607	2.7
85.06537	6.3
91.05479	44.5
93.07045	34.5
94.06570	3.3
95.04987	11.3
95.08608	66.8
97.06532	20.2
99.08130	8.0
103.05444	2.0
105.03391	4.9
105.07033	42.7
107.04949	2.5
107.08599	16.9
109.02865	1.5
109.06519	8.9
109.10137	11.5
111.08061	5.0
117.03355	1.5
117.07021	2.6
119.04950	27.7
119.08578	57.8
121.06484	2.3
121.10141	16.2
123.04434	28.0
123.08076	11.6
123.11691	3.9
131.08533	1.9
133.02846	14.8
133.06516	4.9
133.10141	31.3
134.03165	1.4
135.04391	2.9
135.11678	30.9
136.05206	3.7
137.05951	2.6
137.09630	5.4
137.13231	2.6
146.03598	3.0
147.03265	1.5
147.04413	24.2
151.03928	11.9
151.07574	2.2
151.11186	3.1
161.05981	13.8
161.09601	3.0
161.13255	73.2
162.13614	2.2
179.03394	47.4
179.07106	11.9
179.10718	8.2
179.14313	66.3
180.03793	1.6
180.08080	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	179.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96633	1.2
55.01863	3.2
55.02983	2.0
56.01134	1.6
56.01395	30.1
67.02985	1.4
67.05499	1.8
68.05028	28.0
69.04542	11.6
71.58877	1.9
79.05479	2.0
81.07044	3.8
83.06074	2.4
89.03881	1.4
91.05473	6.6
93.04523	2.3
93.07009	2.1
93.36545	1.3
95.05029	2.7
95.06089	59.3
95.08582	3.5
96.04468	4.0
96.05614	8.1
97.04015	17.1
97.06418	2.6
105.07014	4.6
107.08590	1.9
109.06527	1.6
110.07143	11.1
118.04187	1.8
119.04935	5.7
120.05566	11.1
121.06482	1.7
123.04429	12.9
123.11715	1.5
133.02841	10.8
133.06479	2.8
133.10120	2.3
135.04419	2.5
137.08224	100.0
138.06560	2.7
138.08537	1.9
147.04449	6.8
151.03873	5.2
161.05949	4.6
161.08183	3.6
161.09537	1.7
163.07506	1.5
178.31816	1.3
179.03397	27.5
179.06509	4.2
179.09238	5.9
179.10651	3.4
180.24564	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0703
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
51.02386	0.4
51.83159	0.3
53.03954	0.7
55.01878	2.7
55.05506	0.7
56.05036	0.4
56.96572	1.7
57.07078	0.7
59.04987	0.4
65.03946	3.7
66.04707	0.4
67.05503	1.5
68.05018	1.4
68.99797	0.8
69.03426	0.8
69.04562	0.6
70.00814	0.7
70.01219	1.0
70.06591	0.7
74.23381	0.3
77.03913	0.5
79.05495	3.8
80.05031	0.8
80.06267	0.6
81.03427	1.0
81.04548	1.0
81.07051	1.5
83.05003	0.6
83.06104	1.0
83.51897	0.3
84.08154	0.6
88.33289	0.3
89.03919	1.2
91.05481	58.7
92.05807	1.0
93.03414	0.4
93.07057	1.1
94.04178	0.9
94.06568	0.8
95.01282	0.4
95.04968	4.9
95.06075	3.1
95.08603	0.9
96.04501	0.4
96.06931	0.4
97.02910	0.5
97.03970	0.3
97.06462	0.6
97.07633	0.5
98.06068	0.4
98.21462	0.6
103.05449	0.6
105.03391	2.9
105.04520	0.3
105.07030	3.4
106.06566	1.8
106.07224	0.3
107.04953	2.5
107.08543	0.4
108.04459	0.7
108.05726	0.9
109.02888	0.5
109.06524	1.1
109.10122	0.5
110.03565	0.8
110.07163	0.8
111.05549	0.5
115.05452	0.5
116.10867	0.4
117.03369	0.7
118.04140	0.6
119.04943	100.0
120.05274	2.4
121.06484	0.8
122.03629	1.1
122.07173	0.4
123.04433	6.9
123.05395	0.5
123.08053	1.0
133.02855	6.0
133.06517	2.7
133.07504	0.7
133.10129	1.5
134.06018	3.2
134.07033	0.6
135.03374	0.3
135.04393	1.7
135.05377	0.5
136.05243	2.7
136.07555	0.3
137.05980	13.3
137.08202	4.8
138.06479	0.7
139.07370	0.3
146.03596	1.0
147.04410	95.0
148.04710	3.0
150.06679	0.4
151.03903	2.7
151.07555	4.3
151.11153	0.8
152.08168	0.8
153.25346	0.3
155.53751	0.3
161.02339	0.7
161.05966	3.6
161.07147	0.7
161.09608	0.8
162.05412	0.5
163.03876	0.3
164.04720	4.4
165.09097	0.3
174.00693	1.0
179.03424	12.6
179.07019	22.4
179.09396	1.2
179.10670	1.1
179.14215	0.5
180.03789	0.5
180.07509	0.7
180.08832	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0703
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
51.02377	0.5
53.03941	0.6
54.03467	0.4
55.01870	2.5
55.05510	0.5
56.05029	0.8
56.96567	3.6
57.03420	0.7
57.07070	0.7
59.04982	0.3
59.06107	0.4
59.43386	0.3
65.03944	3.5
67.05512	2.1
68.05029	1.7
68.99797	0.6
69.03410	1.2
69.04544	0.9
69.07072	0.7
70.06580	0.7
70.83123	0.7
73.02899	0.4
76.02251	0.4
77.03941	0.8
79.05495	3.0
80.05020	0.6
80.06258	0.4
81.03418	1.1
81.04552	0.8
81.07052	1.9
82.06542	0.4
83.04975	0.6
83.06097	1.2
84.04496	0.4
84.08131	0.7
84.96025	0.4
85.02925	0.7
89.03898	0.8
91.05483	39.5
92.05810	0.8
93.04520	0.3
93.07044	1.4
94.06567	2.6
95.04977	4.2
95.06091	3.9
95.08614	1.7
96.08182	0.5
97.02914	0.8
97.04010	0.5
98.97589	0.8
103.05453	0.8
105.03399	2.1
105.07031	4.2
106.06553	1.1
107.04940	1.7
107.06051	0.3
107.08593	0.8
108.04461	0.8
108.05720	0.6
109.02887	0.7
109.06541	0.8
109.10169	0.8
110.06049	0.9
110.07136	1.1
111.04439	0.3
111.05543	0.3
111.07938	0.3
112.07668	0.3
115.05449	0.7
116.10729	1.1
116.98637	0.9
117.03381	0.6
117.05814	0.3
117.07011	0.9
117.11103	2.2
118.04178	0.5
119.04944	82.2
119.08591	1.1
120.05334	2.5
120.08139	0.4
121.06489	1.2
121.07611	0.5
121.10120	0.4
122.03643	0.4
122.07214	0.7
123.04433	7.8
123.05401	0.4
123.08085	0.8
123.11689	0.4
125.07133	0.4
130.06506	0.7
131.01923	0.9
132.08131	2.0
132.09000	0.4
133.02835	6.3
133.06497	2.4
133.07593	0.9
133.10146	2.3
134.06018	0.8
134.07092	0.7
134.99683	0.8
135.04427	1.5
136.02274	0.4
136.05243	1.6
136.07576	0.6
137.02344	1.0
137.05991	9.3
137.07077	0.6
137.08226	5.1
137.09424	0.6
138.02704	0.6
139.07539	0.5
146.03625	1.2
146.99664	0.9
147.04411	100.0
148.04736	2.4
149.07088	0.8
151.03915	3.3
151.07541	2.9
151.08670	1.0
151.11188	0.6
152.07112	0.5
152.08162	0.7
161.02336	0.7
161.05949	2.4
161.07114	5.1
161.08440	0.4
161.09627	1.3
161.13306	0.6
162.06630	0.6
162.09140	0.6
163.07542	1.3
164.04752	2.7
165.05486	0.7
174.00729	1.5
174.06047	0.4
179.03409	16.6
179.07005	13.2
179.08226	3.9
179.10672	2.2
179.11928	0.6
179.14334	0.8
180.03841	0.5
180.06395	0.5
180.08824	0.7
180.10191	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0702
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
53.03931	1.1
55.01874	5.9
55.05507	3.0
56.95597	0.4
57.03432	1.0
65.03933	2.0
67.05501	8.8
68.99787	37.8
69.03426	2.3
69.07047	0.6
69.54415	1.5
69.54845	2.1
71.01350	0.6
77.03935	0.5
79.05495	6.8
80.30532	0.5
81.03413	0.9
81.07056	9.5
83.04980	1.5
83.08614	2.3
87.05956	0.5
88.62672	0.4
90.35254	0.4
91.05482	8.7
93.07044	7.1
94.06552	0.5
95.04963	23.1
95.08601	5.9
103.05473	2.2
105.03394	1.2
105.04503	0.5
105.07027	15.0
107.04942	1.4
107.08578	0.7
108.05720	1.6
109.06512	46.6
109.10144	0.7
110.03643	0.5
110.06862	1.1
111.00801	1.3
111.04430	3.3
111.08075	20.9
115.05435	6.5
119.04935	5.1
119.08578	1.2
121.02893	0.7
121.06481	0.6
121.10108	0.8
123.04423	72.8
123.08052	9.2
124.04754	1.7
133.02849	2.2
133.06494	11.8
133.10147	1.4
134.06880	0.7
135.04387	0.9
136.05162	2.6
137.05972	6.6
137.09544	0.5
139.03912	2.6
143.04910	1.5
146.03601	0.9
147.04413	5.4
151.03951	1.9
151.07536	100.0
152.07903	3.1
155.06975	0.6
161.05980	33.0
161.09612	0.8
161.13242	1.4
162.06306	1.0
163.03926	0.8
164.04712	6.3
179.03537	5.1
179.07028	71.6
179.14323	1.2
180.07381	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0703
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
55.01867	4.5
55.05499	2.2
61.56651	0.9
65.03932	1.9
65.40794	0.9
67.05215	0.8
67.05508	7.7
68.99789	21.7
69.03461	1.1
69.07049	1.3
69.99987	5.0
71.05004	1.3
75.92953	0.9
79.05479	5.4
81.07050	6.5
83.04954	2.4
83.08614	1.7
89.78664	0.9
91.04955	1.4
91.05476	12.8
93.07049	5.8
94.06539	1.6
95.04962	15.3
95.06068	1.9
95.08617	4.4
103.05446	2.0
105.03387	2.5
105.07024	16.2
107.04933	2.3
107.08574	2.0
108.08908	0.8
109.06516	21.7
109.07610	0.9
109.10125	1.4
111.04414	5.4
111.08083	13.5
114.09956	1.0
115.05463	8.2
117.06986	1.1
118.04179	1.4
119.04926	9.0
119.08567	2.3
119.96384	0.8
123.04424	100.0
123.08039	5.7
123.10808	1.0
124.04776	1.9
133.02858	4.1
133.06491	12.4
133.10135	4.8
136.05165	2.8
137.05981	5.3
137.08220	2.9
137.09589	1.3
139.03893	2.0
143.04898	1.4
146.03654	1.5
147.04422	9.1
151.03937	5.0
151.07539	90.8
152.07918	2.0
161.05981	51.1
161.09631	2.1
161.13246	1.3
162.06297	1.8
163.03992	1.2
164.04720	9.9
179.03452	13.7
179.07036	89.3
179.10640	3.3
179.14297	2.9
180.07478	1.2
181.76816	0.9
186.81425	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.7
56.36606	0.9
56.96560	2.2
57.07064	2.2
58.99861	2.8
60.98169	0.9
68.05010	1.5
70.04331	4.4
77.00900	3.5
81.07070	1.2
82.01434	10.5
86.04360	1.1
90.68587	1.1
91.05483	2.2
93.07048	0.9
95.01958	1.0
95.06079	3.4
98.01419	2.0
98.20794	0.9
100.02481	79.9
101.00880	3.6
103.02480	1.3
105.00290	1.1
105.07000	1.5
107.01915	1.8
110.01408	2.3
110.51405	1.9
115.02409	1.6
118.00377	2.4
118.03520	57.5
118.68819	0.9
119.01050	2.3
119.01919	42.8
119.04922	2.6
119.51995	3.3
120.01897	4.9
120.95399	0.9
121.01688	3.6
121.52176	2.1
123.04073	2.7
125.01887	1.1
127.00922	3.7
129.51160	2.9
130.00363	1.0
130.52708	3.4
131.01894	4.6
132.00085	4.4
132.00946	13.6
132.50934	2.8
133.00769	3.6
133.01730	2.1
133.03496	8.2
133.10144	1.1
134.02966	1.8
134.99919	4.7
136.00008	1.1
137.02950	16.6
137.08234	6.2
138.03078	1.4
138.51663	2.0
138.96405	3.8
139.00803	1.5
139.01692	2.9
139.02675	1.9
141.00627	4.7
141.05084	2.2
142.03488	2.9
143.50839	1.6
144.00870	2.5
146.00580	1.2
147.04401	3.0
148.52277	1.5
151.04517	3.7
152.04024	1.4
152.51602	1.0
153.00795	5.8
153.51469	1.3
153.99599	2.3
154.01083	1.5
155.00940	1.1
156.05078	3.4
156.97485	66.6
157.03470	2.2
159.52225	1.9
161.02956	4.8
161.06032	2.0
161.98061	2.3
162.00977	1.9
162.01990	3.6
162.52016	1.8
162.99329	2.6
163.00323	1.3
163.01814	2.0
164.99110	1.0
165.50381	1.5
172.00612	1.5
174.00764	1.4
174.03065	2.7
174.04547	1.0
174.06088	2.1
174.50949	2.4
174.98555	100.0
175.04510	1.9
176.01620	2.0
177.00955	2.2
179.00717	2.1
179.04053	8.3
179.06537	1.8
179.09326	1.9
179.99149	62.4
184.00673	4.1
189.00978	4.3
190.01167	2.0
191.00589	1.5
191.02379	1.0
197.00587	1.5
198.00090	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	179.0338
Annotation	Esculetin
Peak:m/z	Relative Intensity
50.01596	0.2
51.02385	0.6
53.03938	0.7
54.03458	0.4
55.01868	1.3
56.05041	0.5
56.96561	1.0
59.04985	0.3
59.06124	0.3
61.02894	0.3
65.03918	0.5
67.05484	2.0
68.05023	1.1
68.99792	0.5
69.03436	0.4
69.04546	0.5
69.30513	0.2
70.03880	1.3
71.04968	0.2
72.04485	0.3
77.03922	2.0
79.05479	1.5
80.05036	0.3
81.03423	0.7
81.04556	0.6
81.07054	0.9
82.06566	0.3
83.04974	0.2
83.06104	1.1
84.04456	0.3
85.02899	0.7
89.03913	2.6
91.05475	3.7
93.07022	0.5
94.06554	0.7
95.04975	3.5
95.06092	2.5
95.08617	0.7
95.45321	0.2
96.05635	0.3
97.02845	0.5
97.04021	0.3
97.07630	0.3
98.21475	0.3
98.97575	0.2
103.05487	0.3
105.03391	5.0
105.07050	2.0
107.04945	0.9
107.06074	0.3
107.08598	0.5
108.05683	0.5
109.02850	0.8
109.06469	0.6
110.07169	0.6
111.05575	0.3
115.05455	0.3
117.03366	1.7
119.04934	3.6
119.08570	0.9
120.05586	0.7
121.02902	0.3
121.06538	0.5
122.07217	0.4
123.04420	49.3
124.04745	1.1
124.08722	0.3
133.02846	35.2
133.06441	1.2
133.10135	1.3
134.03166	0.6
134.06065	0.3
134.07127	0.7
135.04404	5.1
136.05168	0.3
136.08801	0.4
137.06001	1.3
137.08220	2.5
138.06557	0.4
138.10237	0.3
139.07486	0.4
146.03615	0.4
147.03374	0.4
147.04407	3.5
151.03894	13.0
151.07556	0.9
151.11192	0.7
152.08189	0.6
161.02354	0.6
161.05968	1.0
161.08301	0.5
161.09569	0.6
161.13292	0.6
162.06641	0.5
163.07523	0.5
174.00705	0.4
179.03383	100.0
179.09303	1.1
179.10670	1.6
179.14191	0.4
180.03770	2.2
187.02753	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1226
Annotation	Valerianine
Peak:m/z	Relative Intensity
53.03952	0.3
55.01869	0.7
55.05521	0.4
56.05030	0.7
56.96568	1.7
57.03672	0.3
66.59631	0.3
67.05501	1.3
68.05022	0.7
69.04552	0.4
69.07060	0.4
70.83726	0.9
77.03934	0.4
79.05491	0.9
80.04993	1.0
80.34740	0.4
81.04530	0.8
81.07050	0.7
83.06107	0.5
89.03929	2.0
90.04244	3.6
91.05479	2.6
92.05025	0.8
93.05777	0.5
93.07027	1.1
94.06534	0.6
95.04958	1.3
95.06068	1.8
95.08595	0.5
96.04517	0.4
96.05617	0.5
98.07185	0.4
98.98460	0.5
104.05022	0.4
105.03394	0.8
105.07008	2.0
106.06558	0.6
107.08600	1.2
108.04457	0.5
109.02930	0.4
109.07616	0.4
110.07143	0.6
113.39357	0.3
115.05450	0.6
117.03364	1.4
117.07020	2.1
118.03695	5.4
118.06535	11.0
118.07358	0.7
118.96743	1.0
119.04926	1.4
119.07325	11.7
119.08586	0.6
120.05550	0.4
120.08118	0.6
122.06052	0.4
122.07000	0.6
122.10475	0.7
123.04420	3.8
132.04443	0.9
132.08086	1.5
133.02852	3.2
133.06494	0.8
133.10132	0.8
134.09648	72.5
135.04039	0.4
135.06935	0.3
135.10023	1.8
136.03860	0.7
136.04791	0.7
136.07576	0.7
136.08589	0.3
137.05946	0.6
137.08240	2.7
145.02811	1.0
146.03169	6.7
147.04456	2.5
149.05984	0.6
150.03072	0.4
150.06361	2.4
151.03908	2.3
160.03925	1.0
160.07573	0.5
160.11235	1.0
161.05984	0.9
161.08183	0.6
162.09123	3.4
163.09911	1.1
172.95242	0.7
174.00760	0.8
178.04903	1.2
178.12260	100.0
179.03398	8.2
179.06984	0.7
179.09265	0.7
179.10980	0.4
179.12624	3.7
190.96414	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02422	0.5
52.99333	0.5
53.03960	1.2
55.01891	2.1
55.05522	0.6
56.96602	0.5
58.06612	0.8
61.63254	0.4
65.03970	1.7
66.04757	0.6
67.05537	2.1
67.74106	0.5
68.05051	0.7
68.99799	1.0
69.03467	0.7
69.07089	0.6
70.06619	1.0
71.58340	0.9
77.03919	1.0
78.04731	1.4
79.05067	0.7
79.05489	11.6
79.99921	0.5
80.05029	0.8
81.03466	0.9
81.04565	0.8
81.07056	1.2
82.06606	0.6
88.02228	0.6
89.03914	5.9
90.04278	4.9
90.04737	1.2
91.05480	11.0
91.05996	0.6
92.02623	0.6
92.05830	0.9
92.51103	0.5
93.07081	1.8
94.04193	1.0
94.06604	1.2
94.07433	0.6
95.04963	5.2
95.06115	2.2
95.08619	1.1
97.06470	0.6
97.07678	0.8
98.27241	0.5
98.98486	0.7
102.04710	0.5
103.05490	1.7
104.06277	1.9
105.03387	3.7
105.04566	0.6
105.07027	4.1
107.04971	7.0
107.08617	2.3
108.05757	0.6
109.02918	0.7
109.06506	1.4
110.06050	0.6
110.07204	1.6
115.05463	2.9
115.65132	0.5
116.45705	0.5
117.03378	9.9
117.05772	1.1
117.07055	0.9
118.04214	38.5
118.06564	2.2
119.04981	4.8
119.08586	4.0
119.58553	0.4
121.02880	0.8
121.06499	2.4
121.10136	1.1
121.68135	0.4
122.03689	2.0
122.10500	1.7
123.04421	13.0
123.08019	0.8
131.04932	8.6
131.05830	0.8
132.04480	5.6
132.05737	19.2
132.08072	8.1
132.08980	0.6
133.02852	5.2
133.06483	2.2
133.10168	1.7
134.03603	0.6
134.07104	0.9
135.04457	7.6
136.05162	1.9
136.07555	0.7
137.05972	25.9
137.08206	4.5
138.09036	0.7
142.06535	1.8
145.02905	2.7
146.03636	100.0
147.04468	5.2
147.08046	2.1
148.04929	0.5
149.06035	1.3
150.06384	4.2
151.03882	8.3
151.07567	2.0
151.09792	1.7
151.11128	0.6
160.03914	0.8
160.05260	5.1
160.07570	18.2
161.02396	0.7
161.05992	3.2
161.08133	1.1
161.09557	1.1
163.03897	26.8
164.04265	2.0
172.91409	0.7
173.00122	0.7
178.05019	2.6
178.06256	32.8
178.08698	2.5
178.10825	2.8
178.12199	1.0
179.03383	16.8
179.07018	5.0
179.09361	1.3
179.10690	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.01855	1.4
55.05509	13.6
57.07072	2.5
64.65965	0.8
65.03931	2.6
67.05501	11.6
69.03410	1.4
69.07066	29.4
70.04852	4.5
71.08634	1.0
77.03889	1.0
78.04704	5.1
79.05489	23.1
81.07055	20.1
83.08617	16.5
85.94671	0.7
89.03402	1.5
89.03918	20.1
91.05478	20.1
93.07040	48.3
94.07378	1.1
95.04962	7.2
95.08606	49.2
96.08933	1.2
97.10177	5.0
98.98468	20.3
103.05478	4.6
103.15842	0.9
105.04538	0.8
105.07023	10.9
106.04166	13.5
107.04961	2.2
107.08591	67.6
108.08884	1.5
109.06513	2.1
109.10152	15.3
115.05437	1.1
116.06184	1.0
116.99512	1.2
117.03377	31.1
117.07007	2.4
118.06541	2.7
119.04987	1.1
119.06866	3.6
119.08601	4.2
120.08915	0.8
121.02888	0.9
121.06520	9.4
121.10137	100.0
122.10452	1.9
123.08090	1.5
125.37999	0.8
131.04890	2.7
131.08557	3.2
133.08437	2.0
133.10115	2.1
134.03635	5.0
135.04404	4.6
135.08058	1.3
135.11694	18.5
145.02843	33.5
145.06474	0.9
146.03171	1.9
146.07253	0.9
147.04391	1.0
147.08049	0.9
147.09979	1.6
149.02335	3.0
149.05988	17.1
149.09602	0.8
149.13234	6.7
159.08017	2.2
159.11717	2.5
162.03123	2.7
162.06560	0.9
163.03893	3.2
164.59801	0.9
177.03900	0.5
177.05440	15.7
177.06850	1.2
177.09091	5.4
177.12764	8.1
177.14691	16.3
177.16379	48.3
178.16780	1.3
186.05484	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03935	1.1
55.05513	11.5
57.07073	2.5
63.73186	0.9
66.19771	0.8
67.05503	7.8
69.07069	27.9
70.58004	2.7
75.26727	1.0
79.05492	16.1
81.07062	17.1
83.08154	1.0
83.08620	14.6
89.03937	4.6
91.05492	9.2
93.07042	36.4
95.04945	1.5
95.08610	41.5
97.10174	1.9
98.21368	1.1
98.98454	3.5
103.05486	0.9
105.07033	8.4
107.08592	68.7
108.08911	1.9
109.06537	2.0
109.10161	13.7
117.03390	6.4
119.08575	3.0
119.66285	0.8
121.10144	100.0
122.10465	1.9
123.08062	1.4
133.10086	1.2
134.03624	1.3
135.11696	16.7
136.12039	1.2
145.02864	5.2
149.05969	3.1
149.13242	5.8
177.05496	2.0
177.09128	1.4
177.12869	1.9
177.16388	46.0
185.44038	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.8
53.03948	2.4
55.01856	1.1
55.05508	16.8
56.05031	10.3
56.96565	1.7
57.07071	2.5
58.04083	5.4
59.02483	0.9
59.04874	0.8
60.05648	1.2
63.02373	0.8
65.03939	1.8
67.05499	13.0
69.07066	27.5
69.82864	2.5
72.04514	28.2
74.02438	5.0
74.06074	9.5
76.05124	86.2
78.04703	2.2
79.05489	25.0
81.07053	24.6
83.08620	16.9
85.17120	0.6
88.02241	0.7
89.03912	14.9
91.05477	17.3
92.05798	0.9
93.07040	56.2
95.04971	5.7
95.06113	0.8
95.08603	55.0
97.10155	4.4
98.97587	0.9
98.97723	1.0
98.98461	17.7
102.05541	11.4
103.05418	3.7
105.04526	0.9
105.07028	11.4
106.04183	6.6
106.07856	1.0
107.04946	1.4
107.08589	77.9
108.05608	0.7
108.08916	2.2
109.06527	2.3
109.10152	17.1
114.06666	0.7
115.05450	1.3
116.98627	1.2
116.99477	0.7
117.03377	18.0
117.07018	2.7
118.03706	1.0
118.05013	21.2
119.04948	0.7
119.06081	1.0
119.08575	3.1
120.06561	3.5
120.08123	2.3
121.02894	1.5
121.06526	4.6
121.10137	100.0
122.07147	0.9
122.10473	2.0
123.08107	1.4
123.11692	0.7
131.04953	2.2
131.08548	2.0
133.10130	2.1
134.03636	3.7
134.10666	0.6
134.99646	1.6
135.04453	2.9
135.11679	22.1
135.12709	1.2
136.08691	1.2
136.12041	0.8
137.08168	0.7
137.09576	0.8
145.02837	19.5
145.06476	2.1
146.03513	0.8
146.07249	1.0
147.04420	0.7
147.11630	0.8
147.29926	0.6
149.02322	3.2
149.05978	13.4
149.07114	1.0
149.13243	6.2
150.06355	1.3
159.04416	0.8
159.11728	1.4
160.07185	15.7
160.08556	0.5
162.03110	2.2
171.39117	0.6
177.02231	1.8
177.05446	8.9
177.06590	0.7
177.09251	3.6
177.09782	4.6
177.11354	0.9
177.12778	2.5
177.16377	51.3
178.05031	1.7
178.08694	0.7
178.10870	0.9
178.16745	1.7
195.03342	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1637
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.00293	0.4
53.03939	2.5
55.05508	19.9
56.05035	7.4
56.96547	0.9
57.07076	3.5
58.04086	5.7
59.02473	0.9
65.03931	1.8
67.05502	14.9
69.07067	28.0
70.18358	2.3
71.08620	0.7
72.04514	20.6
74.02438	4.0
74.06074	6.8
76.05124	70.5
78.04698	1.7
79.05489	27.0
81.07050	27.6
82.07372	0.7
83.08613	17.5
84.04502	1.1
89.03912	10.4
91.05474	15.7
92.05795	0.5
93.07038	59.6
94.07357	1.4
95.04966	4.7
95.06093	0.9
95.08600	59.3
96.08955	0.7
97.10165	3.7
98.20810	0.8
98.98459	16.7
102.05527	8.7
103.05470	2.0
105.04537	0.8
105.07027	10.0
106.04147	3.7
107.04961	1.7
107.08588	79.5
108.05283	0.5
108.08929	2.3
109.06490	2.5
109.07619	0.7
109.10155	18.8
110.10521	0.7
114.06649	1.0
115.05451	1.0
117.03375	11.4
117.07032	2.5
118.05012	20.0
119.08575	3.3
120.06602	2.3
120.68938	0.5
121.02882	0.6
121.06492	2.1
121.10135	100.0
122.10464	2.4
123.08050	1.6
131.04932	1.1
131.08545	1.9
133.07567	0.6
133.10104	1.8
134.03624	2.5
135.04393	1.8
135.07668	0.6
135.11681	23.3
136.08690	0.7
137.09453	0.7
145.01756	0.8
145.02844	12.5
145.06519	1.4
149.02345	2.1
149.05975	11.3
149.09651	0.9
149.13225	5.4
150.06500	0.7
159.11649	1.2
160.07179	11.1
162.03090	1.4
163.03859	0.7
172.95212	1.0
177.05446	7.0
177.07002	0.5
177.07591	1.1
177.09770	3.4
177.11343	0.9
177.12793	2.0
177.16380	48.7
178.04881	1.0
178.10893	0.8
178.16750	1.5
186.05508	0.6
190.96243	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03933	4.0
55.01859	3.0
55.05510	25.4
56.05032	9.7
56.96333	1.4
56.96564	16.7
57.03404	1.4
57.07060	4.7
58.04086	6.2
63.02369	2.4
65.03922	4.1
67.05501	19.2
68.99777	1.9
69.03422	2.6
69.07069	38.9
71.08600	1.2
71.58414	1.2
71.58826	1.5
72.04510	24.8
73.07102	1.2
74.02428	5.2
74.06082	8.5
76.05124	78.7
77.10917	1.2
78.04701	5.3
79.05488	37.9
81.03411	2.2
81.07057	36.8
82.07368	1.7
83.08614	21.4
86.96588	1.2
88.02233	2.7
89.03913	36.0
90.04217	1.4
91.04897	1.6
91.05479	33.4
93.07040	76.2
94.06524	1.7
95.04972	9.0
95.08604	66.6
96.08920	1.7
97.10154	6.5
98.98461	51.7
100.98867	1.9
102.05534	10.2
103.05457	9.4
104.05025	1.6
105.01852	1.2
105.04521	1.2
105.07028	13.8
106.04158	12.7
107.04941	3.4
107.08591	86.5
109.06479	3.1
109.10153	25.7
115.05449	3.0
116.99501	3.1
117.03381	54.3
117.07018	29.6
118.05009	18.4
119.04877	1.6
119.08548	5.9
120.06580	3.6
121.02812	3.5
121.06494	13.5
121.10137	100.0
122.10487	2.0
124.05119	1.3
131.04901	5.5
131.06880	1.3
131.08548	12.3
132.04417	1.7
133.06435	1.9
133.10110	5.8
134.03610	11.9
135.04416	6.3
135.07996	4.1
135.11681	31.1
145.02834	52.6
145.06458	2.7
146.03212	2.7
146.07256	3.7
147.04408	2.0
149.02324	9.3
149.05975	30.0
149.09598	3.9
149.13248	12.2
150.06366	1.5
151.06949	1.9
154.94154	2.4
159.08049	4.1
159.11682	5.3
160.02760	1.3
160.07173	13.4
162.03123	6.6
163.03899	2.8
165.01964	1.4
172.95274	5.2
177.04051	2.2
177.05461	30.0
177.06833	2.1
177.09174	8.6
177.12769	11.0
177.16374	72.0
178.08542	1.8
181.06470	1.9
186.05482	2.2
190.95122	2.1
190.96382	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	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03945	1.2
53.04178	0.6
55.05510	12.8
56.05032	7.4
56.96561	1.3
57.07074	1.4
58.04084	4.4
59.48779	0.7
60.05639	1.3
65.03939	1.2
67.05505	6.8
69.07067	27.7
69.61087	2.8
69.61509	1.8
72.04514	18.5
74.02432	2.5
74.06081	6.1
76.05125	55.3
78.04700	1.8
79.05493	15.5
81.03417	1.0
81.07048	14.1
83.08614	15.0
84.04511	0.9
89.03908	16.9
89.04757	0.8
91.05473	13.9
93.07041	36.9
94.07338	0.8
95.04972	3.0
95.08604	40.2
97.10172	2.0
98.20837	1.2
98.98458	13.1
102.05534	7.5
103.05460	1.6
105.03382	0.9
105.07030	10.4
106.04189	4.4
106.07878	0.8
107.04993	0.8
107.08591	69.7
108.08920	1.8
109.06534	2.4
109.10148	13.3
117.03372	24.9
117.07021	1.9
118.03741	1.2
118.05009	13.3
119.08555	3.0
120.06601	2.6
121.06481	4.4
121.10138	100.0
122.10500	2.7
123.08039	1.7
131.04865	1.5
131.08543	3.0
133.10100	1.9
134.03609	5.0
135.03140	0.6
135.04388	2.9
135.08025	0.7
135.11684	16.6
137.09348	0.7
138.84613	0.7
145.02834	28.9
146.03241	1.5
149.02350	2.6
149.05988	11.5
149.09612	1.6
149.13240	6.0
159.11690	1.6
160.07188	11.3
162.03159	1.5
163.03966	0.9
172.95245	0.9
177.05463	10.2
177.09186	4.1
177.11328	1.2
177.12877	4.0
177.16380	40.2
178.16762	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03939	2.0
54.64505	0.5
54.95171	0.6
55.01872	5.9
55.05514	5.7
56.96553	1.4
57.03428	2.5
65.03940	1.5
67.05504	29.2
68.52340	0.5
69.03429	1.1
69.07065	10.9
71.04966	0.6
71.20484	1.1
71.20856	1.2
77.03904	0.9
78.04693	1.2
79.05492	38.6
80.05810	0.7
81.03419	3.7
81.07056	50.0
82.07381	0.9
83.04987	5.0
83.08609	4.5
85.06525	1.1
85.92670	0.5
89.03922	7.0
91.05480	38.6
91.36020	0.6
91.91760	0.6
92.05789	1.0
93.07043	50.0
94.07361	1.6
95.04966	14.8
95.08611	11.9
97.06528	13.0
98.98466	15.5
103.05448	2.1
105.04517	1.0
105.07031	25.1
106.04175	1.3
106.07387	0.9
107.04964	3.9
107.08593	26.4
109.06503	6.5
109.10186	1.3
111.08063	4.8
115.05453	2.0
116.06231	0.6
116.99509	1.2
117.03385	11.4
117.07019	26.7
117.07851	1.3
118.07809	0.9
119.08577	6.7
121.06512	5.5
121.10139	16.1
122.10517	0.6
123.08051	0.9
129.06998	2.2
130.07787	1.3
131.04863	0.7
131.08571	34.1
131.99338	0.7
132.08925	1.2
133.06503	1.3
133.10133	32.2
134.03590	2.2
134.10468	0.8
135.04417	1.9
135.08051	10.4
135.11690	9.9
136.08682	0.6
144.09308	2.2
145.01767	0.8
145.02847	11.3
149.02357	2.4
149.05972	5.0
149.09596	5.7
149.13255	15.9
157.10117	1.0
159.08060	1.6
159.11693	48.9
160.12083	2.0
163.03911	0.7
177.05443	4.8
177.09195	1.9
177.12747	100.0
177.16017	3.1
178.08601	0.6
178.13107	4.3
186.05553	0.6
190.95300	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03934	7.2
55.01862	5.3
55.05510	19.8
56.05020	7.8
56.96565	14.5
57.03429	5.7
57.07071	3.5
58.04077	5.2
59.04980	2.1
63.02374	1.7
65.03925	6.0
67.05513	17.2
69.03428	4.2
69.07065	25.4
70.07445	8.3
71.04981	3.3
72.04514	20.2
74.02444	3.5
74.06066	6.2
76.05125	61.4
78.04694	4.8
79.05492	40.2
80.05821	1.9
81.03430	3.0
81.07050	28.6
83.04982	4.3
83.08609	8.5
86.62939	1.6
88.02197	2.2
89.03916	24.6
91.05473	47.5
93.03400	1.8
93.07042	77.3
95.04974	13.6
95.08601	28.0
97.06544	3.0
98.20777	1.9
98.98465	100.0
102.05537	6.8
103.05455	9.1
105.04515	2.0
105.07038	26.5
106.04138	9.6
107.04951	15.4
107.08592	59.8
109.06515	6.8
109.10122	6.2
115.05438	4.7
116.99496	5.7
117.03371	32.3
117.07016	25.7
118.05000	16.4
118.36488	2.0
119.04940	1.8
119.08583	16.7
120.06580	1.9
121.02841	2.5
121.06501	35.1
121.10136	40.2
122.10419	2.7
129.06992	6.2
130.07793	4.0
131.04919	2.3
131.08566	26.9
133.06467	5.0
133.10132	8.9
134.03624	5.1
135.04466	4.1
135.08055	15.8
135.11673	12.3
136.08493	2.2
136.93155	2.0
137.13708	1.9
143.28801	2.2
144.09337	7.3
145.02853	35.8
145.06494	2.1
145.07564	2.4
149.02298	12.2
149.05983	18.0
149.09651	4.4
149.13229	13.7
150.05504	2.4
152.12038	1.8
153.93648	5.6
154.94234	2.8
159.08060	4.2
159.11697	30.9
160.07196	9.6
162.03099	6.2
163.03934	1.6
172.95380	10.1
177.05458	22.4
177.09206	8.9
177.12741	55.2
177.16344	13.6
178.05003	2.4
178.08575	2.7
178.13004	1.9
186.05536	1.8
190.95239	5.9
190.96410	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	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03942	3.0
55.01857	5.0
55.05517	9.4
56.05034	4.2
56.96567	32.4
57.07055	2.5
58.04063	2.8
65.03922	2.6
67.05504	21.5
69.03418	2.5
69.07069	12.8
72.04517	9.4
74.06075	4.3
76.05129	33.3
79.05493	32.9
81.03407	6.0
81.07056	32.7
83.04973	3.9
83.08608	6.0
88.21501	1.8
88.60285	1.8
89.03919	13.9
91.05481	26.8
93.07040	48.4
95.04961	10.8
95.08607	16.6
97.06521	7.6
98.98468	100.0
100.98890	2.2
102.05538	3.8
103.05475	2.6
104.87406	1.7
105.07017	18.2
107.04940	7.9
107.08592	30.6
109.06511	4.0
109.10132	4.4
115.05469	2.5
116.99500	5.0
117.03390	22.9
117.05804	2.0
117.07020	12.5
118.05003	8.1
119.08568	8.5
121.02861	3.7
121.06503	7.1
121.10137	26.0
123.08060	3.1
125.05418	2.6
128.98587	3.2
131.04898	2.2
131.08557	23.9
133.10144	17.1
134.03627	3.5
134.05882	2.5
135.04378	3.1
135.08067	9.9
135.11670	10.6
142.25417	1.9
145.02853	20.2
146.99625	4.3
149.02290	11.1
149.05943	8.9
149.09598	4.7
149.13251	11.2
153.93674	6.8
159.08087	3.4
159.11699	26.3
160.07253	3.1
162.03209	2.9
172.95248	6.7
177.05429	13.0
177.08977	3.7
177.12741	66.9
177.16295	8.9
178.04924	3.7
178.08638	2.9
189.04343	7.9
190.95308	6.0
191.08020	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.3
55.01856	5.4
55.05511	29.3
56.96547	5.7
57.03417	6.7
57.07056	3.6
59.04974	4.7
59.65405	1.9
63.02372	4.0
65.03925	6.0
67.05503	21.2
68.08341	1.8
69.03408	7.9
69.07058	32.7
70.04292	3.7
70.04700	6.2
71.04982	4.4
77.03915	2.4
78.04709	10.3
79.05488	59.0
81.03408	1.8
81.07055	41.8
83.04969	4.9
83.08608	12.9
83.38576	1.8
88.02216	2.4
89.03915	50.4
91.04890	3.0
91.05474	60.7
93.07040	100.0
94.07341	2.9
95.04958	17.2
95.08050	3.0
95.08608	37.6
97.06524	5.4
97.10170	2.7
98.98462	84.9
103.05451	13.1
105.04498	3.2
105.07030	41.7
106.04179	17.5
107.04955	9.7
107.08589	79.7
108.08879	3.2
109.06509	12.7
109.10148	11.6
115.05434	5.1
116.06239	2.1
116.99508	4.8
117.03379	70.4
117.07012	31.4
119.04971	2.1
119.08578	22.6
121.02882	2.5
121.06510	30.2
121.10136	63.1
124.05170	3.0
129.06981	11.5
130.07738	7.1
131.04904	4.8
131.08571	41.2
133.06531	2.6
133.10123	14.3
134.03632	11.0
134.10526	2.7
134.95779	1.7
135.04475	11.3
135.08038	18.3
135.11688	18.9
144.09335	11.3
145.02841	78.3
148.08791	2.3
149.02260	12.3
149.04794	2.4
149.05975	39.2
149.09602	5.0
149.13252	17.6
158.05962	3.0
159.08028	5.8
159.11687	36.7
160.07545	2.4
160.12158	2.1
161.09598	2.9
162.03134	7.6
163.03850	4.7
174.35443	1.8
177.05443	35.2
177.09067	12.7
177.12740	64.8
177.16376	27.2
178.04953	3.7
178.08572	3.3
178.16698	2.1
186.05392	3.2
190.95174	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0982
Annotation	Canavanine
Peak:m/z	Relative Intensity
56.05035	12.0
58.04086	9.1
59.02497	0.9
59.04852	0.8
60.05647	0.8
69.58624	0.4
70.06596	0.6
71.23227	0.7
72.04517	33.4
74.02445	6.6
74.06081	11.0
74.06483	0.7
76.05128	100.0
84.04494	1.3
85.02898	0.6
89.04811	0.5
90.21085	0.3
102.05544	13.0
114.06673	0.9
118.05021	24.9
120.06587	4.2
131.09323	0.6
132.07738	0.3
135.07672	0.8
137.80283	0.3
160.07179	15.0
160.08446	0.7
177.09833	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	177.1023
Annotation	Serotonin
Peak:m/z	Relative Intensity
52.10057	0.5
53.03944	1.2
54.03485	0.5
55.01858	2.0
55.05505	1.2
56.05033	1.0
56.96564	15.5
57.03424	1.6
60.04521	0.8
61.02906	1.1
63.02369	1.4
65.03936	0.9
67.05499	1.2
68.05026	0.6
69.03410	2.6
69.07062	0.8
70.06595	0.7
71.04961	0.9
71.57961	0.8
71.95267	1.0
72.04534	0.8
72.08156	0.7
72.45378	0.5
73.02911	1.6
73.90807	0.6
74.06045	0.6
76.05109	1.1
78.04704	3.2
79.05478	4.8
81.03397	2.5
81.07048	1.3
84.96025	1.4
85.02905	2.3
86.09679	0.7
89.03915	46.6
90.04263	1.0
91.05479	8.3
92.07892	0.5
93.07039	3.3
95.04934	3.0
95.08606	1.8
97.02905	3.3
98.01257	0.6
98.96941	0.6
98.97572	12.9
98.98457	13.4
103.05468	4.6
105.03389	0.6
105.04510	0.7
105.07022	31.1
106.04169	3.1
106.06565	0.6
107.04958	11.8
107.08573	2.1
109.02902	0.8
109.06537	0.8
113.01707	0.6
115.05453	10.5
116.05741	0.5
116.10714	5.0
116.98622	14.8
117.03374	62.7
117.05704	2.7
117.07011	7.6
117.98891	0.6
118.03710	1.7
118.06544	3.4
118.96755	0.7
119.01871	1.1
119.04948	2.3
119.08569	0.7
120.05719	7.4
121.01627	0.9
121.02908	0.7
121.05173	0.8
121.06484	2.5
121.10162	4.1
122.05976	0.8
124.05206	1.2
127.03875	0.6
128.98604	2.5
131.00194	1.0
131.01871	1.8
131.04936	3.5
131.05841	0.7
131.08553	1.2
132.08086	36.5
133.06485	69.3
134.03638	8.1
134.05974	1.7
134.06853	1.4
134.99651	16.4
135.04427	6.9
135.06737	1.2
135.08025	0.6
136.06100	1.1
136.07594	4.8
137.02335	1.1
137.07007	0.9
142.06525	2.2
143.00102	0.7
143.03464	0.6
143.04907	2.6
145.02838	67.0
146.03175	2.7
146.06020	1.1
146.99681	3.6
148.07533	1.1
149.01236	0.7
149.02194	1.1
149.05977	21.5
150.06387	1.2
150.09131	1.7
151.07562	2.1
153.00829	2.8
153.01660	2.8
154.94162	1.8
155.01886	0.6
158.01277	0.9
158.05978	1.5
159.06642	0.8
160.07570	100.0
161.01208	1.5
161.05919	1.2
161.07878	2.3
161.72838	0.5
162.03076	1.4
163.03955	1.2
172.95251	3.9
173.01254	1.1
177.00687	0.8
177.04326	0.8
177.05461	17.5
177.06606	0.8
177.08893	1.7
177.10217	9.8
177.12672	1.0
177.16364	1.1
178.05898	1.1
178.08617	5.0
186.05511	2.6
187.02910	0.6
190.96257	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	177.0909
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
53.03941	0.8
55.01866	1.3
55.05507	1.8
56.05023	0.5
56.96555	3.0
58.04081	1.1
59.05001	0.6
65.03929	1.0
67.05490	2.0
69.07043	1.5
70.48791	1.7
72.04510	3.0
74.06087	0.6
76.05131	10.2
78.04697	1.4
79.05482	3.2
81.07062	2.9
83.08615	0.8
85.62362	0.5
89.03912	4.3
91.05481	19.5
93.07044	7.8
94.04187	0.7
94.90015	1.4
95.04968	2.8
95.08615	2.8
98.98466	24.3
102.05523	1.0
103.05470	3.2
103.25761	0.5
104.06236	2.1
105.03391	0.6
105.07019	3.5
106.04182	0.9
107.04953	5.7
107.08580	5.0
109.06516	3.7
109.10152	0.9
115.05448	10.9
116.06210	2.0
116.99505	1.1
117.03375	5.3
117.06216	1.0
117.07013	15.6
118.05022	2.6
119.04938	4.2
119.08587	2.4
121.02827	0.9
121.06502	52.4
121.10123	6.0
122.06819	1.0
123.04428	1.8
129.03365	0.5
129.07002	0.8
130.04134	0.9
131.04927	7.1
131.08556	1.7
132.05705	3.5
133.06497	2.9
133.10078	0.5
134.03612	0.8
134.07277	4.6
135.04404	2.1
135.08043	0.8
135.11720	1.3
137.05981	4.0
144.05687	0.8
145.02841	5.5
145.06468	6.8
146.07269	22.0
146.08435	1.2
147.04416	7.1
147.08052	15.6
148.05203	1.6
148.08472	0.7
149.02324	4.2
149.05972	4.4
149.09604	7.4
149.13226	0.9
153.93689	1.1
159.08054	1.4
159.11687	1.8
160.07233	1.7
161.05969	3.6
162.03244	0.5
162.06758	16.6
165.09145	1.5
172.14069	0.5
177.05484	3.0
177.09100	100.0
177.16293	2.5
178.04916	0.5
178.09613	2.7
178.12241	0.6
190.95132	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	23.0
58.04084	14.2
59.02483	2.0
67.41593	1.4
71.35499	1.9
71.35810	2.1
72.04514	45.6
74.02440	8.4
74.06085	13.2
76.05127	100.0
84.04532	1.4
85.28433	1.5
102.05545	10.7
103.94053	1.7
118.05012	14.7
125.44737	1.7
151.76855	1.7
160.07191	6.9
186.70258	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.091
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
50.01594	0.6
51.02396	0.5
53.03951	0.9
55.01870	1.3
55.05515	2.6
56.96568	1.3
63.02374	1.2
65.03939	1.5
67.05502	1.8
69.03390	0.4
69.07072	5.1
69.46027	2.8
69.46443	1.3
78.04705	2.8
79.05489	4.8
81.03403	0.5
81.07048	3.4
83.08611	2.3
89.03916	25.7
90.04224	1.0
91.05476	20.6
92.05812	0.5
93.07046	9.5
95.04958	2.5
95.08596	7.2
98.21536	0.8
98.98465	7.2
102.04678	1.6
103.05463	10.8
104.06229	1.7
105.07021	5.2
106.04169	3.7
107.04961	3.6
107.08589	9.8
109.06507	2.5
109.10152	1.9
115.05450	13.6
116.06267	3.6
117.03374	40.0
117.07011	22.2
118.03707	1.7
119.04951	4.9
119.08598	2.9
120.05692	0.6
121.06499	36.7
121.10139	14.8
122.06860	0.9
123.04414	0.9
124.05222	1.0
128.06184	0.5
129.06937	0.9
130.04128	1.4
131.04927	25.3
131.08568	2.8
132.05672	1.6
132.76944	0.5
133.02820	0.6
133.06491	6.5
133.10136	0.9
134.03630	5.9
134.07285	3.3
135.04424	5.5
135.08022	2.2
135.11694	3.0
137.05971	1.9
144.05698	0.9
145.02840	45.8
145.06485	11.2
145.07632	0.7
146.03186	1.4
146.07260	100.0
147.04416	4.4
147.08072	9.7
148.05174	1.2
149.02309	0.9
149.05981	16.3
149.09621	4.8
149.13301	0.6
159.04344	0.7
159.08054	1.0
159.11670	1.1
161.05998	2.9
162.03122	1.7
162.06760	14.2
163.03874	1.3
171.11121	0.5
177.05522	13.3
177.09099	85.8
177.16371	7.7
178.06056	0.4
178.09483	2.5
186.05510	1.3
195.03310	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03951	2.8
55.01888	1.9
55.05515	1.2
62.13248	0.6
63.02390	1.5
65.03947	1.7
65.31733	0.7
67.05517	0.9
68.07795	0.6
69.03489	0.8
69.07090	1.7
78.04714	6.4
79.05483	3.5
81.07068	2.0
84.17099	0.9
87.05625	0.7
89.03918	66.9
90.04256	0.8
91.05487	13.9
91.06020	1.2
93.07034	5.8
95.04976	4.4
95.08612	3.0
97.64728	0.6
98.98465	12.9
99.99445	0.7
103.05481	6.4
105.03397	2.0
105.04517	0.8
105.07017	3.5
105.26244	0.7
106.04176	13.2
107.04982	1.6
107.08589	5.0
109.06535	0.9
109.10161	0.8
115.05466	1.1
117.03378	99.0
117.07018	3.0
118.03715	2.4
119.04924	2.0
119.08537	1.0
121.02876	0.8
121.06499	9.4
121.10135	5.7
124.05200	2.6
129.06989	0.8
131.04929	5.0
131.08522	3.6
132.04437	1.1
132.08105	1.1
133.06512	0.9
133.10185	0.9
134.03632	16.2
135.04410	10.6
135.08022	2.3
135.11694	1.7
137.09514	1.1
145.02844	100.0
146.03204	2.4
147.04407	2.7
149.02336	1.9
149.05981	46.2
149.09596	0.9
150.06381	1.5
158.05977	1.4
159.04401	1.3
159.08012	1.3
159.11646	1.6
160.07567	2.3
162.03111	4.8
162.04230	4.5
163.03873	3.8
177.05432	32.1
177.06581	2.0
177.09027	2.9
177.12686	2.9
177.16457	1.6
178.05904	0.9
178.08594	3.6
186.05519	4.0
194.95685	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03946	1.1
54.47386	0.3
55.01857	0.6
55.05494	0.6
56.96565	3.2
57.03437	1.2
60.04522	0.8
61.02930	0.4
63.02388	1.8
64.86066	0.4
69.03415	1.3
69.53365	0.4
70.06601	0.7
70.44055	1.2
70.77142	0.4
71.04992	1.0
72.04505	1.1
72.05365	0.4
73.02904	0.9
74.94920	0.4
76.05117	2.6
77.00837	0.4
77.03916	0.6
78.04707	4.4
79.05494	1.5
81.03418	1.1
85.02892	1.5
89.03915	57.7
90.01533	0.5
90.04251	2.2
91.05476	4.5
93.07047	1.8
95.01315	0.6
95.04976	1.8
95.08590	1.3
97.02882	1.0
98.97572	2.1
98.98462	7.4
100.02480	0.9
100.98882	0.5
103.05473	2.5
105.03372	1.1
105.07043	0.7
106.04162	3.7
107.04956	1.4
107.08593	1.4
114.02602	0.3
116.98611	1.8
117.03374	90.7
117.30297	0.4
118.03670	3.3
118.04979	0.7
119.01885	2.5
119.04921	0.6
120.01863	0.4
121.01673	0.8
121.02791	0.5
121.06498	1.8
121.10111	2.2
124.05192	2.3
129.03040	0.5
131.00168	0.5
131.01878	1.8
131.04942	0.6
132.03404	0.5
133.03442	1.3
134.03625	12.3
134.99649	2.0
135.03336	0.4
135.04413	8.8
145.02838	100.0
146.03178	3.6
146.99591	0.6
147.05009	0.5
149.01271	0.5
149.02292	1.0
149.05978	29.0
150.06314	1.0
153.00702	0.5
154.03484	0.6
158.06021	0.8
161.01170	0.5
162.03145	2.1
163.03905	2.8
172.95235	1.0
172.99312	0.6
173.02983	1.1
177.05460	20.5
177.12743	0.9
177.16406	1.1
178.05795	0.8
186.05511	3.4
190.02693	0.5
190.96271	0.4
191.00377	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22411	0.5
53.03915	0.5
53.30756	0.5
55.01864	0.7
55.05516	0.6
68.99796	0.5
69.07057	1.2
69.54512	4.5
72.45380	0.5
78.04690	0.5
79.05485	2.8
81.07056	1.0
89.03915	2.0
91.05486	4.3
91.67546	0.5
92.05786	0.7
93.07044	1.7
95.04960	0.7
95.08607	1.1
98.20848	1.1
98.57188	0.5
98.98450	1.6
103.05457	5.5
105.07024	25.6
106.04158	0.5
106.07349	2.3
107.04986	0.9
107.08591	1.5
109.06439	0.5
115.05444	6.1
117.03354	3.5
117.06998	1.9
118.04163	4.1
119.08562	1.7
120.08917	2.8
121.06499	1.6
121.10147	1.8
129.03366	11.4
129.04326	1.1
131.04936	6.2
131.08545	0.7
132.08902	0.6
133.06485	42.6
133.10129	2.1
134.03693	0.6
134.06848	1.6
134.10460	4.6
135.11655	0.5
141.00792	0.6
143.06047	1.5
145.02820	3.5
145.06470	4.8
146.07217	1.6
146.09435	0.5
146.10483	0.5
147.08026	1.5
148.12021	0.8
149.05992	5.4
149.94513	0.5
159.11572	0.6
160.05157	0.6
161.05974	100.0
162.06320	3.3
175.07553	6.5
176.08318	44.1
176.15295	4.5
177.05476	3.5
177.08850	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	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03943	0.5
55.05500	1.3
59.20656	0.4
63.02346	2.1
65.03931	0.8
67.05492	1.0
67.81924	0.4
69.07081	2.4
71.34853	0.9
78.04716	5.0
79.05493	1.8
81.07053	1.7
83.08613	0.7
89.03918	56.7
90.04262	1.3
91.05489	6.2
91.58887	0.4
93.07050	4.2
95.04973	1.9
95.08624	2.5
98.98468	5.3
103.05470	2.2
105.03394	0.8
105.04502	0.5
105.07043	1.1
106.04185	4.2
107.04971	2.8
107.08609	4.9
109.10146	1.1
115.05451	1.2
116.06262	0.4
117.03381	96.5
117.07018	2.8
118.03637	2.3
119.04965	1.1
119.08548	0.4
120.44466	0.4
121.06509	2.6
121.10149	6.7
123.07967	0.4
124.05201	1.5
130.36865	0.4
131.04926	1.1
131.08554	1.2
133.06474	0.5
134.03644	11.1
134.07283	0.5
135.04442	7.9
135.11697	0.9
136.04692	0.6
142.75047	0.4
145.02847	100.0
146.03165	3.3
146.07243	0.7
147.04420	0.7
149.02361	0.7
149.05980	28.6
149.09601	1.9
149.94511	0.6
150.06310	0.9
158.06041	1.4
159.08109	0.4
159.11673	0.9
162.03140	2.1
163.03871	1.9
177.05475	22.0
177.08981	2.3
177.12747	1.1
177.16460	2.3
178.05913	1.2
186.05510	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	176.0109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
56.96554	2.9
57.03424	3.4
60.05640	6.9
61.02931	2.2
64.28266	1.2
69.03416	5.2
69.88908	7.5
70.06584	9.1
71.04990	16.5
71.06914	3.0
73.02913	3.7
81.03411	3.7
81.54597	1.3
85.02911	5.6
85.06523	2.6
86.06065	1.8
94.06574	1.9
97.02899	7.5
98.06046	1.3
98.97591	3.5
99.04447	2.2
100.07616	2.1
101.00874	3.3
103.02483	1.5
103.92132	1.1
104.02518	1.8
105.02168	1.2
105.02906	1.4
109.02999	1.5
111.02947	1.5
112.07565	1.9
116.07039	1.2
116.98595	2.7
117.05465	2.2
117.07436	1.3
119.01923	11.8
120.02021	3.7
121.01675	2.4
121.03477	1.7
122.03615	1.1
130.08755	1.5
130.09746	20.7
130.12286	3.8
131.00201	1.2
131.01918	5.6
132.02109	100.0
132.90446	1.2
133.02528	1.5
133.03453	4.2
134.03610	6.3
134.08133	2.3
135.03183	1.7
137.02988	3.0
138.03178	1.5
145.03471	2.7
146.03647	1.3
147.04973	3.3
147.25671	1.4
149.02971	1.8
150.03146	2.2
151.04533	1.7
152.04691	3.4
154.03525	1.6
158.08159	1.5
159.05113	1.5
171.01431	3.8
171.04987	7.6
176.01100	17.6
176.04636	9.0
176.09196	1.4
176.10379	11.2
176.12781	2.3
177.04263	3.3
189.02431	1.5
189.06053	2.6
191.87018	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.05511	7.6
57.07075	1.6
65.03933	0.7
67.05505	4.0
69.03423	0.7
69.07064	20.1
70.06585	2.7
70.64414	2.2
77.03901	0.6
79.05484	5.7
81.07051	14.0
83.08612	4.4
91.05476	28.3
93.07034	7.6
95.04955	1.6
95.08611	9.8
97.02896	1.3
98.03178	0.9
98.98460	42.7
103.05470	2.2
104.06260	1.4
105.07026	45.6
106.07337	1.3
107.04941	2.0
107.08591	7.7
109.10175	0.8
110.00787	0.6
115.05438	4.9
116.06270	0.6
116.07129	0.9
116.99490	2.5
117.07011	7.8
118.07793	0.9
119.04960	4.1
119.08575	100.0
120.08138	1.0
120.08868	3.6
121.06447	0.8
121.10155	3.2
125.02318	0.8
128.06219	1.0
129.03326	1.5
129.07004	4.0
130.06508	1.3
131.04901	1.3
131.08546	8.1
132.04622	0.7
132.05692	3.2
132.09262	0.9
132.95850	0.8
133.06499	5.1
133.10123	85.8
134.07104	0.8
134.10391	3.2
135.08022	0.8
142.07758	2.3
143.04973	0.8
144.05757	0.9
145.06503	1.1
145.10117	8.8
146.07251	0.9
146.10872	1.9
147.04428	4.9
147.08049	6.9
147.11684	17.4
148.11995	0.9
157.10114	3.0
159.11658	1.3
160.05190	5.8
160.08784	1.0
160.12454	3.9
161.05959	8.5
173.13268	2.1
175.03958	0.7
175.07523	13.3
175.09746	1.3
175.11200	9.2
175.14818	76.7
176.08324	3.5
176.15144	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	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03916	1.4
54.04146	0.9
54.56932	0.9
55.05315	0.8
55.05515	8.0
57.07060	0.9
67.05504	2.8
69.07071	16.2
69.96606	5.7
76.70481	1.0
79.05499	4.0
81.07059	16.6
83.08604	2.2
91.05479	12.7
93.07050	6.0
95.08616	8.2
98.98471	7.2
103.05444	1.9
105.07037	30.2
106.07338	1.1
107.08588	7.4
115.05435	2.4
117.06991	4.6
119.08581	86.9
120.08824	1.5
121.10138	2.8
131.08531	5.1
133.10132	100.0
134.09525	0.9
134.10472	4.2
135.11800	1.1
145.10121	9.5
146.10890	2.3
147.11694	11.3
159.11699	1.8
160.05211	3.2
160.12468	4.9
173.13274	3.2
175.07530	2.4
175.14827	80.6
175.44038	0.9
176.15141	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	175.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01883	1.0
55.05509	9.3
56.96566	0.9
57.03421	0.8
57.07069	1.4
61.80352	0.5
65.03947	1.4
67.05190	0.6
67.05492	4.3
69.03423	1.7
69.07063	23.0
69.49950	4.5
70.06241	0.5
70.06575	2.7
71.05025	0.7
72.93806	0.7
74.21272	0.5
77.03938	0.9
79.05494	4.9
81.03424	0.7
81.07050	12.2
83.08615	5.3
86.41579	0.6
88.17400	0.6
90.94812	0.8
91.05477	23.9
92.05814	1.0
93.07037	5.8
95.04974	2.1
95.08595	8.9
97.02895	1.7
98.98461	54.3
103.05458	2.1
104.06248	1.2
105.07025	46.1
106.07341	1.5
107.04949	3.5
107.08585	5.9
115.05427	3.4
116.99492	3.0
117.07004	6.3
118.07838	1.0
119.04949	2.0
119.08575	100.0
120.08112	0.9
120.08912	2.3
121.10151	3.5
123.48721	0.6
128.06239	2.7
129.07005	6.6
130.06517	2.1
131.08563	8.8
132.04395	0.8
132.05667	1.8
132.09346	1.5
132.95796	0.9
133.06512	2.7
133.10123	81.5
134.07108	0.8
134.10561	1.9
135.07909	1.2
135.11696	1.2
138.98911	0.8
141.22845	0.6
142.07756	2.2
145.06485	1.4
145.10103	9.1
146.07304	0.7
146.10883	1.8
147.04417	2.6
147.08051	4.9
147.11679	16.1
150.96889	1.3
157.06453	4.2
157.07585	0.9
157.10158	3.0
158.10896	0.8
159.11658	1.0
160.05202	3.2
160.08842	1.6
160.12448	4.7
161.05922	0.6
173.13237	2.4
175.03903	1.6
175.07466	9.6
175.11247	6.9
175.14816	79.7
176.06976	1.5
176.15277	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	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
51.02417	0.6
55.05509	11.1
57.07060	0.8
61.38147	0.7
65.03947	0.8
67.05506	5.2
69.07066	17.6
70.27008	1.2
70.27390	0.9
79.05489	5.2
81.07050	18.2
83.08621	4.2
90.94804	0.9
91.05475	19.8
92.80902	0.7
93.07033	8.3
95.04966	1.0
95.08609	9.2
98.98466	17.5
103.05443	1.0
104.06211	0.7
105.07026	52.5
106.07397	2.0
107.04967	0.8
107.08598	10.2
109.10154	0.9
115.05435	1.5
117.07017	5.5
118.06512	1.4
119.08575	100.0
120.08935	3.2
121.10158	2.1
125.96226	0.6
129.07027	1.9
130.06537	3.8
131.08572	10.8
132.09114	0.8
132.95821	0.9
133.10124	76.8
134.10463	2.6
145.10106	7.0
146.10901	3.8
147.11678	18.3
160.12473	3.8
173.13225	2.2
175.07631	1.5
175.11224	2.1
175.14818	79.9
176.06967	0.9
176.15158	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	175.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
55.01859	0.8
55.05512	8.7
56.89104	0.6
57.03443	0.9
57.07066	1.9
58.03621	0.7
58.09012	0.6
60.05647	18.5
61.32669	0.7
61.84278	0.6
65.03934	1.2
67.05492	3.4
69.07066	18.2
69.39883	0.6
69.83060	0.6
70.06590	65.2
70.59483	0.6
71.05009	1.0
71.06918	0.8
71.31257	1.1
71.31581	0.9
72.08160	3.1
72.35213	0.6
73.19035	0.6
73.45764	0.6
77.03921	0.8
79.05488	7.0
80.85780	0.6
81.07049	13.9
83.08621	4.1
84.08150	0.7
88.07671	0.8
91.05476	25.9
92.05785	1.2
93.07036	6.9
95.04967	1.5
95.08610	9.2
98.06035	0.7
98.98463	51.7
103.05461	3.1
104.06206	0.7
105.07027	45.3
107.04949	39.0
107.08578	9.5
108.05293	1.2
112.07633	0.9
112.08732	1.8
115.05421	3.4
115.08685	0.9
116.06299	1.2
116.07084	13.4
116.99503	1.8
117.07002	7.2
118.07819	1.0
119.04916	1.8
119.08575	100.0
120.08140	1.0
120.08943	2.9
121.06567	0.8
121.10144	2.8
128.06203	1.1
129.07016	4.2
130.06526	1.5
130.09763	6.1
131.04901	2.0
131.08557	8.2
132.05708	2.7
132.09378	1.4
132.95840	1.2
133.06493	10.1
133.10123	81.9
134.10489	2.8
135.07913	0.8
135.11746	0.8
142.07841	0.8
145.06474	3.1
145.10112	8.6
146.10809	1.7
147.04399	1.7
147.06334	1.2
147.06865	1.0
147.08040	14.3
147.11682	16.8
148.08502	1.4
148.11980	0.7
150.96877	1.1
150.97993	0.9
157.06502	3.2
157.10060	1.5
158.09216	4.1
160.05173	1.7
160.08826	1.2
160.12477	3.9
173.13275	2.3
175.03854	1.4
175.07513	12.0
175.11862	8.3
175.14816	74.2
176.06982	1.7
176.15227	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	175.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	10.7
57.18869	0.8
59.21304	0.8
67.05495	2.2
67.11628	0.7
69.07068	27.8
70.63240	0.7
71.31600	1.4
79.05495	3.9
81.07043	7.3
83.08602	5.9
91.05470	17.7
93.07053	4.5
95.08605	7.2
98.98466	22.1
103.05471	1.5
105.07024	34.0
107.08600	6.5
115.05421	3.1
117.06994	5.0
118.07846	1.0
118.48006	0.7
119.08577	100.0
120.08920	3.1
121.10153	3.8
129.06995	3.3
130.06511	1.8
131.08565	7.2
132.04399	1.3
132.09341	1.1
133.10126	87.5
134.10500	2.3
135.11662	0.9
145.06412	1.0
145.10124	12.1
146.10701	1.0
147.08034	2.0
147.10637	1.4
147.11679	13.4
158.05957	1.1
158.10794	0.8
158.52316	0.8
160.05190	3.5
160.08844	0.8
160.12520	4.0
173.13197	2.9
175.07492	4.7
175.14825	82.7
176.15227	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	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03963	0.7
55.05510	10.1
57.07076	0.9
65.03939	0.7
66.44970	0.6
67.05508	4.0
69.07068	23.2
70.06588	1.2
70.74789	2.0
79.05488	5.1
81.03436	0.7
81.07056	9.3
83.08615	4.4
91.05479	16.4
92.05789	0.6
93.07044	6.2
95.04975	1.6
95.08603	7.2
95.11838	0.6
97.02900	0.7
98.98460	15.1
103.05470	3.8
104.06236	1.0
105.07029	42.8
106.07323	0.9
107.04987	0.8
107.08605	5.9
115.05445	4.9
116.99509	0.7
117.07009	6.3
118.04169	1.7
118.07771	1.1
119.08580	92.3
120.08958	2.3
121.10118	1.5
127.69678	0.7
128.06239	1.1
129.03387	3.2
129.06972	1.6
130.04083	1.1
131.04936	2.6
131.08546	7.4
132.05710	1.5
133.06490	13.2
133.10127	100.0
134.10435	3.6
135.11725	0.7
142.07771	0.9
145.06511	2.3
145.10136	10.3
146.10843	2.2
147.08055	1.8
147.11682	15.9
157.10103	1.1
159.11690	1.4
160.05229	4.1
160.12480	5.2
161.05980	30.9
163.07513	0.9
173.13260	3.4
175.07553	7.0
175.11208	2.4
175.14821	83.5
176.08333	11.3
176.15280	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	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.8
54.80896	0.6
55.05509	11.7
56.96557	2.7
57.07085	0.9
65.03919	1.2
67.05505	4.3
69.03452	1.0
69.07067	16.7
70.06606	1.2
70.75436	2.3
71.08656	0.7
78.74490	0.7
79.05497	5.4
81.07056	18.8
83.08618	3.7
86.06064	2.5
87.06411	1.8
88.11270	0.7
91.05476	24.2
92.05807	1.0
93.07038	9.3
95.04978	1.1
95.08609	13.1
97.02885	1.0
98.98463	28.1
103.05473	2.0
105.07027	61.5
106.07362	1.5
107.04949	2.2
107.08591	11.1
108.01530	1.7
108.21058	0.6
109.10142	1.0
115.05467	2.7
116.99555	0.8
117.07016	7.9
118.07838	0.9
119.08577	100.0
120.08894	2.5
121.06478	0.7
121.10141	2.2
123.04437	0.9
129.06998	2.1
130.06555	2.1
131.04935	1.4
131.08553	12.1
132.09299	1.0
132.95825	0.8
133.10127	79.4
134.10480	2.5
136.26219	0.6
142.07745	0.8
145.06517	1.4
145.10115	6.9
146.10907	5.0
147.04419	1.3
147.08112	1.6
147.11690	22.8
150.96916	0.8
157.10164	1.1
157.14178	2.7
160.05196	2.9
160.12480	3.3
173.13263	2.6
175.07487	3.1
175.11360	3.9
175.14822	84.6
176.15179	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	175.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18218	0.2
53.03946	0.4
55.01875	1.1
55.05515	1.8
56.05033	0.4
56.68946	0.2
56.96564	19.8
57.03436	3.1
58.06601	1.0
58.49287	0.2
58.99865	0.2
59.04998	0.5
60.04527	0.6
60.05648	25.2
60.95848	0.7
61.02916	1.4
67.05502	1.6
68.05039	0.6
69.03425	3.7
69.07076	0.9
70.06590	100.0
70.38195	0.6
70.38557	0.2
70.98100	0.5
71.01360	0.4
71.04992	6.8
71.06925	1.1
71.95265	0.5
72.08154	4.0
72.67686	0.2
72.93814	0.2
73.02914	2.8
74.02445	0.5
74.06073	1.1
74.97604	1.8
75.04494	0.2
77.00871	0.4
79.03870	0.2
81.03413	2.0
81.07085	0.3
82.01824	0.2
82.06579	0.3
82.42752	0.2
83.00790	0.2
83.04985	0.4
83.08623	0.6
84.04540	0.3
84.08140	10.8
84.96046	0.9
85.01423	0.2
85.02903	4.9
85.06547	0.9
86.06077	0.4
87.00813	0.2
87.04481	0.8
88.02692	0.2
88.07623	1.3
88.99154	0.4
89.00826	0.2
89.52415	0.2
90.01565	0.8
91.02367	0.7
91.05501	0.7
92.01328	0.4
92.98647	0.2
94.06568	0.5
95.00777	0.3
95.04977	0.6
95.08630	0.3
96.01549	0.2
97.02888	4.7
97.07683	0.6
97.96782	0.2
97.99187	0.2
98.01322	0.7
98.03321	0.2
98.06049	2.3
98.97599	6.5
98.98476	4.4
99.02074	0.7
99.04446	1.2
100.02853	0.3
100.05285	0.3
100.07625	0.7
100.99183	0.4
101.00850	1.5
101.02435	0.2
101.07974	0.2
102.00971	0.5
102.02353	0.2
102.05582	0.2
102.53131	0.3
103.00656	0.7
103.02446	2.5
105.02148	0.4
105.07008	0.3
106.00996	0.2
106.02865	0.2
107.01770	0.2
107.03572	0.2
109.02837	1.0
110.01294	0.7
110.03139	0.2
110.97590	0.9
111.02065	0.7
111.02951	0.4
111.04499	0.2
111.53679	0.5
112.02818	0.6
112.07622	11.8
112.08750	3.2
112.99122	0.2
113.01762	0.3
113.05988	0.2
113.07153	0.6
113.07980	0.5
114.05551	0.3
114.09225	0.2
114.10320	0.5
115.00668	0.3
115.02438	0.6
115.03953	0.2
115.08701	2.3
115.97926	0.2
116.07092	20.3
116.98616	6.2
117.02090	0.6
117.03944	0.3
117.05479	0.5
117.07460	0.4
118.01089	0.7
118.02904	0.3
119.00180	0.7
119.01909	12.5
119.04931	0.3
119.08575	0.5
120.01988	1.6
120.03455	0.2
120.97980	0.3
121.01660	4.6
121.02542	0.3
121.03488	2.0
121.52085	0.2
122.02296	0.3
124.02840	0.3
124.03748	0.4
125.02655	0.2
125.03572	0.4
126.02590	0.3
127.01571	0.3
127.03957	0.7
128.02304	2.4
128.03134	0.2
128.52582	0.3
128.98592	2.6
129.03944	0.2
129.10254	1.2
129.11104	0.3
129.53619	0.3
130.06554	1.3
130.08684	3.0
130.09790	12.7
130.12317	0.7
131.00180	0.9
131.01865	1.4
132.02116	0.7
132.04420	1.4
132.10179	0.2
132.95885	0.5
133.01726	0.9
133.03456	6.1
133.05075	0.2
133.10043	0.3
134.02316	0.3
134.03595	0.3
134.08118	0.5
134.99657	5.4
135.00650	0.4
135.03178	0.5
137.02953	5.3
138.03084	0.5
138.99016	0.2
139.02626	1.4
139.53151	0.2
140.07080	0.4
142.03546	0.4
142.96548	0.5
143.00230	0.2
143.01875	1.0
144.02066	0.5
144.06601	1.0
145.01640	1.0
145.03452	2.7
146.02307	0.2
146.03574	0.4
146.99661	3.6
147.03172	2.5
147.05055	0.6
147.11353	0.3
149.01233	1.2
149.02946	0.2
150.96916	0.4
150.99101	1.4
151.02727	0.4
151.03340	0.2
151.04514	3.1
152.04654	0.3
153.00708	0.9
153.04131	0.2
154.03894	0.5
155.00381	0.2
155.01785	0.3
156.03256	0.2
157.01653	0.3
157.03496	0.9
157.07629	0.6
157.09747	0.2
157.10895	0.6
158.01256	0.2
158.03584	0.2
158.06050	1.4
158.08115	0.9
158.09239	3.9
158.11816	0.2
158.99602	0.9
159.03285	0.3
159.05029	0.2
159.07719	0.5
160.97618	0.7
161.01256	1.3
161.02934	1.8
161.04839	0.3
162.03056	1.3
162.99173	0.3
163.02800	2.7
163.04500	1.8
165.00720	1.1
165.04341	0.6
167.02261	0.4
169.00264	0.8
170.01324	0.2
170.99747	0.4
171.01442	0.6
171.05080	0.6
173.01425	0.3
173.02986	1.0
174.00810	0.2
174.03136	0.3
174.99152	3.0
175.02844	0.7
175.04524	5.8
175.06006	0.3
175.11945	10.7
175.14523	0.5
176.04669	0.5
176.09048	0.3
176.10336	3.1
176.12840	0.3
177.00725	1.0
177.04285	0.4
178.98616	0.2
179.02345	0.6
179.04062	0.4
181.03851	1.1
184.04828	0.2
185.03029	0.5
186.04517	0.4
187.02869	0.5
187.04637	0.3
189.00760	0.5
189.02481	0.6
189.06136	0.2
193.00208	6.1
193.03833	0.3
194.00661	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0754
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
53.79406	0.7
55.01862	2.9
55.05514	0.8
56.96553	1.6
60.05647	6.7
60.87885	0.6
64.46887	0.7
65.03939	1.5
67.05473	0.7
69.03413	2.5
69.82141	4.1
70.06593	22.0
72.08124	1.2
78.04695	6.9
79.05488	3.4
80.38705	0.7
81.07040	1.0
90.18665	0.6
91.05479	56.4
92.02612	1.2
92.05811	1.7
93.07031	2.2
95.04984	1.6
95.08614	1.0
98.98462	39.4
103.05466	10.4
104.06248	39.6
105.03417	1.7
105.07063	6.7
107.04951	10.4
107.08577	0.8
111.24228	0.7
112.08748	1.1
115.05452	71.9
116.06221	4.2
116.07078	5.6
116.99493	1.5
117.03330	0.7
117.07014	34.5
118.04153	0.8
119.08578	54.4
120.01509	3.1
120.08889	1.9
121.06471	1.2
126.39635	0.7
127.05476	0.7
128.06229	17.6
129.02039	2.1
129.07002	20.5
130.09761	1.9
131.04926	14.7
131.08589	0.9
132.05707	86.1
133.06058	2.3
133.10115	4.2
143.04913	10.8
144.05681	1.0
145.06470	11.1
146.07234	2.4
147.08043	59.9
148.08426	1.8
155.06052	2.4
157.06494	2.3
157.07640	0.8
157.10078	0.7
158.09328	1.1
159.52364	0.8
160.05194	53.7
161.05591	2.1
164.03078	1.3
169.02356	1.7
172.02928	0.8
175.07541	100.0
175.11839	3.5
175.14839	3.7
175.18852	2.1
176.08017	4.0
178.02791	5.7
181.03348	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0754
Annotation	1,8-Dihydroxy-3-methylnaphthalene
Peak:m/z	Relative Intensity
53.03950	1.9
55.01881	1.7
55.05516	1.5
57.03460	0.5
57.07077	0.6
60.05647	16.0
67.05497	1.1
69.03425	0.8
69.07066	2.4
69.68944	3.2
70.06593	51.7
71.05005	1.0
71.06934	1.0
72.08138	2.3
79.05494	3.6
81.03432	1.9
81.07055	3.1
83.08627	0.7
89.69967	0.4
90.50327	0.5
90.94862	0.5
91.04894	1.0
91.05477	19.7
92.05828	0.8
93.07046	1.2
95.04977	1.6
95.08605	2.0
98.98465	40.2
103.05463	1.9
104.06216	0.5
105.03432	0.6
105.07029	13.8
106.07392	0.6
107.04953	100.0
107.08591	1.8
108.05286	2.7
112.07556	0.6
112.08738	2.1
115.05437	2.1
116.06471	0.3
116.07097	10.9
116.99490	1.2
117.07025	6.0
119.04941	1.5
119.08578	24.0
120.08024	0.5
120.08866	0.6
128.06218	2.8
129.06992	6.0
130.06546	2.1
130.07428	0.6
130.09764	5.5
131.04929	3.3
131.08562	2.1
132.04420	0.6
132.04646	0.6
132.05734	6.0
132.95854	0.6
133.06497	21.8
133.10123	14.3
134.07037	0.8
142.07762	0.7
145.06482	9.2
145.10172	1.0
147.04465	2.2
147.08047	36.4
147.11638	2.8
148.08496	1.7
150.96904	1.1
150.98022	0.6
155.06004	1.2
157.06468	6.6
157.07602	0.8
157.10060	0.6
158.05974	1.4
158.09236	3.0
160.05176	4.6
160.08757	0.8
160.12524	0.6
175.04054	0.6
175.07516	15.0
175.09842	0.9
175.12082	5.7
175.14821	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	175.039
Annotation	Lawsone
Peak:m/z	Relative Intensity
50.75504	0.1
55.01859	0.4
55.05517	0.3
55.76117	0.1
56.96546	0.5
57.07077	0.2
60.05646	0.9
62.32734	0.1
63.02359	0.6
65.03934	1.5
67.05505	0.9
68.99784	2.3
69.07058	0.4
70.06587	2.3
71.39476	0.1
71.54691	0.2
71.55039	0.1
75.04072	0.1
76.80860	0.1
77.03904	0.2
79.01799	0.2
79.05486	1.4
81.07048	1.7
89.03912	9.4
90.04226	0.2
91.05474	9.5
91.65141	0.1
92.05796	0.1
92.66232	0.1
92.90005	0.2
92.90474	0.3
93.07049	1.3
95.04936	0.3
95.08604	1.3
98.98461	13.7
101.53184	0.1
103.05452	0.2
105.03366	0.3
105.07023	2.6
107.04945	0.8
107.08590	0.6
109.10165	0.2
116.07107	0.7
116.97202	0.2
116.99499	0.6
117.03372	2.2
117.07000	0.4
119.04936	13.1
119.08573	4.1
120.05261	0.5
121.10133	0.3
129.06987	0.2
130.06549	0.2
130.09726	0.2
131.08571	0.4
133.06459	0.1
133.10121	3.0
135.04442	1.1
136.58023	0.3
140.01016	0.3
142.07768	0.2
145.02841	0.5
145.10132	0.2
145.58563	0.4
147.04407	6.8
147.08029	0.4
147.11693	0.9
148.04726	0.2
151.58533	0.2
151.93944	0.6
157.10159	0.2
160.59021	0.2
169.94998	0.3
173.13182	0.2
174.03168	0.2
175.03897	100.0
175.11232	0.7
175.14822	3.4
176.04245	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	174.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.9
56.05841	1.0
56.96561	1.0
57.03427	2.3
57.07074	31.7
58.07428	0.8
60.04523	0.8
60.05642	0.9
62.00674	32.7
68.05008	0.9
69.03416	0.7
69.84007	0.5
70.06569	2.1
71.10671	0.7
71.11018	1.1
76.02221	4.4
82.06567	2.4
84.05319	1.1
84.08121	0.5
86.09685	3.1
90.03780	5.0
91.05460	1.7
96.04527	0.6
97.02876	2.0
98.98464	43.8
102.06325	1.0
105.07014	1.4
106.06606	0.6
109.32629	0.5
111.97232	0.5
112.04758	1.2
114.05534	0.9
115.03930	1.2
116.07028	0.6
116.99482	1.3
117.05706	0.8
118.06880	51.3
119.07208	0.8
119.08569	1.3
128.07060	1.6
130.05785	0.8
131.08517	0.7
132.08360	12.0
133.10118	1.0
144.08066	0.7
146.06012	2.2
146.08104	0.7
147.04419	0.6
150.96861	1.3
151.93977	1.1
157.04182	1.0
174.05464	1.6
174.08890	1.5
174.13109	100.0
175.13423	2.6
175.14850	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0762
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
55.05495	4.9
56.05013	3.5
56.05834	4.4
56.96541	2.1
57.03435	19.0
57.06828	1.3
57.07072	17.1
59.17512	1.2
60.04526	41.0
60.05650	5.9
61.02909	1.6
62.00406	1.2
62.00672	13.7
62.02441	6.5
68.05018	5.5
69.03427	16.0
70.06588	23.4
70.14713	1.1
70.83991	3.3
70.95839	1.1
72.08128	1.3
72.93770	5.4
76.02212	3.0
79.05476	1.2
81.07033	1.8
82.06578	6.6
83.04954	3.8
84.04506	34.2
84.05296	4.7
84.08119	1.1
85.02906	14.7
86.06047	4.6
87.04440	1.4
88.04030	1.5
90.94798	3.0
91.03923	1.4
91.05477	7.3
92.90038	1.1
93.07047	1.4
95.08587	2.3
96.04495	14.4
97.02892	96.6
98.03214	1.2
98.18021	1.0
98.98466	100.0
101.05996	2.6
102.05523	8.5
102.06234	1.7
105.07052	6.7
110.06009	2.0
111.04418	1.5
111.98448	1.4
112.04746	3.2
114.05529	35.7
115.03931	10.4
115.05404	5.3
115.18977	1.2
116.07059	3.9
116.99464	3.5
117.05749	1.9
117.06992	2.4
118.06900	18.2
118.07656	2.3
118.08630	10.6
119.08581	11.9
128.07034	3.3
129.05463	1.2
129.06996	2.0
130.05782	3.8
130.07433	1.2
130.09731	2.1
131.08530	1.7
131.97418	1.8
132.05707	2.6
132.06572	5.5
132.08282	7.1
132.95839	3.4
133.06418	1.3
133.10135	6.4
138.05437	2.1
140.01089	2.0
145.08859	1.5
146.05986	6.2
146.08101	3.2
147.04346	2.6
147.08032	2.4
147.11647	1.9
149.98508	2.2
150.96889	14.9
151.93799	1.7
156.07373	3.5
160.05151	4.4
173.98494	1.9
174.05455	2.9
174.07600	59.9
174.13039	47.3
174.14850	12.6
175.03857	1.7
175.07594	8.4
175.11115	1.5
175.13365	1.8
175.14735	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	174.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.0
56.05019	4.2
56.05837	2.2
56.96564	13.6
57.03428	2.1
58.99858	1.3
59.06112	1.7
69.16026	0.9
70.04900	4.8
70.95865	9.0
72.04530	1.2
72.93435	1.3
72.93787	11.4
75.05603	1.2
83.05001	1.3
83.97621	2.3
84.05290	1.8
85.01400	1.2
88.96885	3.0
90.94817	6.9
91.05476	1.3
97.02906	1.5
97.03822	1.1
98.20786	1.2
98.97540	1.7
98.97821	1.5
98.98470	19.9
101.00871	6.6
101.98616	1.4
103.02444	4.7
105.15487	1.0
108.95849	2.5
111.98495	4.9
113.98629	3.4
114.04025	1.9
115.02422	1.9
116.98605	3.4
116.99455	1.2
118.03528	2.6
118.06624	1.1
119.01920	60.6
120.02021	5.4
120.03262	1.3
121.01633	3.4
121.02489	1.0
121.03466	4.1
126.06630	1.9
128.01996	1.3
128.07004	1.0
129.99525	3.3
130.05751	1.8
131.97437	4.3
131.99716	13.4
132.01404	4.5
132.05069	42.9
132.08046	1.0
132.95842	11.3
133.02377	1.8
133.03474	11.1
133.05191	1.2
134.02948	5.7
134.99629	3.5
135.03143	1.3
136.04556	3.0
137.02957	36.8
137.04021	1.9
138.03082	4.0
142.03471	3.5
145.03450	2.9
147.03737	10.3
149.96118	1.0
149.98492	4.1
150.00742	15.8
150.02492	25.0
150.06122	34.4
150.96889	44.3
151.02475	1.5
151.04486	5.9
152.03981	1.5
153.00737	1.6
155.06662	1.4
155.97440	3.5
156.05029	5.7
156.07408	1.7
160.04552	1.2
163.04517	2.4
165.04861	5.7
167.97148	3.1
168.01981	2.0
168.03520	10.4
168.98027	2.0
169.03465	1.9
169.04765	1.1
173.02396	1.0
173.04138	1.4
173.07742	1.2
173.98500	7.9
174.06129	100.0
174.12823	3.3
175.04514	14.0
175.06168	3.9
191.99617	1.0
192.03613	1.1
192.07167	25.3
193.07443	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.9849
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07750	1.0
55.93511	3.8
56.96563	9.2
57.03432	1.7
64.06968	1.1
69.27074	12.1
70.95864	25.9
72.93785	42.9
72.94193	2.2
73.93831	2.0
84.05291	1.0
88.96915	6.7
89.96385	1.1
90.90381	7.8
90.94814	17.7
91.90410	4.8
91.94862	1.2
92.90040	14.9
98.98466	11.9
103.47512	8.2
106.97953	1.1
108.95853	5.5
111.46043	1.1
111.98459	14.0
112.48032	18.1
113.96411	6.5
116.97176	2.9
118.06532	1.8
121.48530	3.5
124.97718	2.2
125.31973	1.0
129.99521	10.3
131.97426	24.5
132.08073	1.4
132.95837	39.7
132.96933	3.9
133.92772	3.4
139.46736	1.6
148.47255	11.8
148.97533	1.5
149.94060	4.0
149.96077	3.1
149.98486	20.0
150.94234	4.8
150.96887	100.0
150.97946	4.4
151.93791	17.5
151.96962	1.3
153.01013	1.1
155.97437	9.8
156.07495	1.1
157.47774	3.4
159.98099	1.5
167.97134	4.7
168.97879	4.2
169.94972	2.5
173.00107	2.2
173.98483	22.1
174.12746	2.8
191.99515	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	173.9848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24587	2.2
55.93510	3.5
56.96561	23.3
69.94661	12.5
70.95864	31.6
72.93788	42.0
78.74290	1.8
85.02853	1.8
87.36491	1.9
88.96881	6.3
90.90376	20.3
90.94821	15.8
91.90427	13.8
92.90035	49.7
98.98476	10.7
100.97290	3.4
103.47514	28.0
108.95870	2.9
111.98475	14.8
112.48034	40.7
113.48108	2.4
113.96394	11.5
114.96599	2.0
116.97199	3.9
116.98567	2.5
121.48550	5.4
123.98856	2.6
129.99496	13.3
131.92978	4.3
131.97421	29.6
132.95828	36.6
133.92706	12.0
139.46707	7.8
139.85793	2.8
141.27301	2.4
148.47244	24.0
149.94040	11.0
149.98474	24.3
150.94298	12.5
150.96881	100.0
151.93805	44.6
151.97343	2.2
155.97427	10.0
157.47792	7.7
158.75508	2.6
159.98006	2.4
168.97868	2.6
169.94836	7.2
173.95827	2.0
173.98500	19.5
174.12802	4.0
174.95291	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	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03923	0.7
53.52717	0.5
55.01858	0.6
55.05509	22.2
56.45425	0.5
56.96561	3.7
57.03441	1.0
57.07063	1.2
59.04999	4.5
65.03931	0.9
66.32842	0.6
67.05496	3.2
69.03424	1.4
69.59904	1.1
69.60316	3.6
71.06077	1.2
71.08619	1.0
72.93779	2.2
75.43700	0.6
76.02214	1.8
79.05481	2.5
79.11902	0.6
79.54462	0.5
81.07044	2.6
82.06550	0.7
83.04979	19.1
85.02923	0.6
85.06525	0.7
87.04453	1.9
89.02375	1.5
90.94806	1.9
91.05477	11.9
93.07022	1.9
95.04979	0.9
97.02863	1.0
99.04462	1.3
101.06013	14.4
103.03285	3.4
103.05452	1.3
105.07021	11.5
107.08556	0.7
108.95880	1.2
111.04435	14.7
111.98488	0.6
113.05957	1.9
115.05444	8.4
116.06212	2.5
117.07009	12.4
119.08572	16.8
124.39658	0.7
127.05438	1.0
127.07555	2.0
128.06204	3.0
129.03883	0.6
129.05482	11.3
129.06979	10.0
130.07785	5.5
131.08560	65.1
132.08931	1.5
133.10153	4.7
141.06888	0.8
142.07809	1.4
143.08553	30.2
144.09335	9.9
145.06488	8.8
145.10118	37.7
146.10416	1.1
149.94038	0.9
150.96890	1.7
155.07048	13.2
155.08450	1.6
156.09265	1.6
157.10107	2.4
158.07341	4.6
158.10902	49.4
159.11292	1.1
171.11688	3.5
173.06035	3.5
173.08232	14.8
173.09673	8.0
173.13252	100.0
174.05391	0.7
174.07619	0.7
174.13654	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	173.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
55.01872	2.7
55.05514	14.6
55.05787	0.7
56.05040	0.8
56.05848	0.4
56.96565	30.2
57.03437	6.4
57.44144	0.4
58.06601	0.9
58.99862	3.0
59.04998	2.4
60.04543	0.5
61.02929	1.8
65.03937	0.3
67.05500	1.4
68.05035	0.4
68.99779	0.5
69.03430	6.0
69.07069	1.1
69.96160	0.5
70.06256	0.3
70.06599	4.9
70.95864	0.8
70.98116	0.6
70.99851	1.1
71.01359	1.2
71.04991	2.1
71.59323	0.5
71.95263	1.1
72.04501	0.4
72.08160	0.9
72.93797	2.9
72.96047	0.6
73.02927	3.8
73.06542	0.5
74.06084	1.2
74.97620	1.1
76.02219	0.8
77.00908	5.3
79.05493	1.1
81.03417	4.0
81.04549	0.5
81.07052	0.8
82.02644	0.4
82.06597	1.9
82.99880	1.6
83.04984	13.1
83.08640	0.9
83.97633	0.8
84.04587	0.4
84.05307	1.3
84.08144	1.6
84.96011	2.6
85.01405	0.5
85.02904	5.4
85.06547	0.8
85.07686	0.3
86.03722	0.6
86.06069	0.7
86.09721	0.4
86.99341	0.5
87.01924	0.6
87.04469	0.9
88.02682	1.1
89.00861	1.2
89.02409	0.6
90.90376	0.5
90.94830	1.8
91.05469	0.6
92.98647	0.4
93.01914	0.5
94.02706	0.5
95.01925	2.7
95.04974	0.7
96.02431	0.6
96.04487	0.4
97.02884	6.4
97.96783	0.7
98.06044	0.5
98.97584	9.2
99.04463	1.4
99.05611	1.7
100.02517	0.5
100.07634	1.3
100.11292	0.5
100.99139	0.7
101.00875	17.9
101.06016	6.7
102.00980	0.5
102.02409	0.9
102.97056	0.4
103.02432	1.5
103.03260	1.7
105.00369	1.0
105.02140	0.7
107.00130	0.4
108.95860	0.7
109.02829	1.8
109.06507	0.8
110.01302	0.7
110.06030	1.8
110.09686	0.5
110.97551	0.9
111.02934	2.6
111.04445	8.6
112.07594	0.7
112.99140	0.5
113.00879	1.3
113.01758	0.7
113.05997	1.5
113.98643	1.0
114.05516	0.7
115.02430	1.3
115.03170	0.4
115.97823	0.7
116.07077	4.8
116.98629	11.2
117.06974	0.6
117.99004	0.4
118.01116	1.3
118.03627	0.4
119.01920	100.0
120.02003	5.1
120.03352	0.6
121.01652	1.8
121.02475	0.5
121.03436	2.1
124.02477	0.6
125.11573	0.5
127.02426	3.2
127.03914	0.9
127.05074	1.9
127.07579	1.2
127.08607	0.8
128.02364	1.2
128.03398	0.4
128.07085	1.0
128.10689	0.6
128.98605	1.8
129.03963	0.9
129.05482	5.9
131.00243	2.2
131.01903	12.2
131.05571	0.5
131.08583	0.7
131.96132	1.0
131.97446	0.7
131.99683	3.1
132.01924	0.4
132.04298	0.6
132.05139	0.9
132.95836	0.9
133.01750	0.7
133.03470	6.4
133.98935	0.6
134.03691	2.0
134.99661	10.4
135.03125	0.5
135.05052	0.7
135.99957	0.8
136.02054	0.4
137.02957	30.9
138.03011	1.8
139.02592	0.9
140.00217	0.6
141.05431	0.5
142.03499	4.5
143.00160	0.5
143.01900	5.7
143.08572	0.5
145.03462	62.5
146.03596	3.2
146.08113	0.6
146.99663	3.6
147.01363	0.9
147.05032	1.8
149.01208	3.7
149.02954	4.4
149.06561	0.7
149.94011	0.5
149.96114	0.6
149.97212	2.7
149.98257	0.5
150.00735	3.1
150.06113	0.8
150.96887	2.9
151.04478	1.4
152.06842	0.5
153.00735	1.6
155.01884	3.1
155.07043	6.1
155.12654	0.9
156.05174	0.5
157.03477	2.5
158.01231	0.5
158.10950	0.6
158.99686	1.0
159.04988	2.2
160.04527	1.8
161.01462	0.9
161.02971	10.4
161.05495	1.4
161.55551	0.7
162.03114	0.8
162.99185	0.9
163.02872	1.6
163.04524	26.0
164.04686	1.3
165.00719	1.3
165.06129	0.5
167.02074	1.1
167.97119	0.5
168.01823	0.6
168.05074	4.0
169.03514	0.7
173.01289	0.6
173.02985	7.9
173.08083	7.4
173.13161	2.0
173.98463	0.6
174.03844	0.3
174.06102	1.5
175.04509	1.3
175.08191	0.6
176.07637	0.5
177.00732	1.7
177.02365	0.7
177.04253	0.4
177.06085	1.3
181.03667	0.4
183.01753	0.4
184.04552	0.8
185.02951	4.1
186.06131	0.5
187.04523	1.1
188.07726	0.6
189.05943	0.4
191.02332	0.7
191.04010	1.7
191.07515	0.6
191.82730	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71399	0.3
53.03948	0.9
54.66038	0.3
55.01876	2.0
55.05511	7.2
55.18058	0.3
56.05032	0.9
56.05853	0.4
56.96568	22.5
57.03436	3.9
57.07082	0.4
58.06591	1.0
58.99860	2.2
59.05003	0.7
60.04504	0.3
60.95829	0.4
61.02919	1.2
67.05509	0.9
67.81033	0.3
68.01192	0.3
68.05005	0.4
69.03430	4.0
69.07072	1.0
70.06306	0.3
70.06599	3.6
70.95846	0.3
70.98099	0.3
70.99847	0.4
71.01327	0.5
71.05003	1.8
71.06097	0.6
71.06898	0.3
71.57269	0.3
71.95261	0.7
72.08150	0.6
72.93790	1.1
73.02922	2.2
73.06546	0.5
74.06078	0.7
74.97612	0.4
75.01914	0.3
76.02228	0.7
77.00919	3.2
78.00995	0.3
79.05476	0.3
81.03420	4.9
81.07063	1.3
82.02705	0.4
82.06593	1.5
82.99856	1.1
83.00812	0.3
83.04985	4.9
83.08630	1.7
84.04508	0.6
84.05309	0.6
84.08139	1.4
84.96034	2.0
85.02909	4.0
85.04051	0.3
85.06554	1.1
86.06045	0.9
86.99348	0.4
87.04478	0.7
88.02673	0.6
89.00882	0.9
90.94790	0.4
91.02444	0.4
95.01954	1.6
95.04972	1.1
95.22018	0.3
96.02489	0.4
96.04469	0.4
96.08122	0.4
97.02882	4.2
97.96799	0.6
98.01378	0.3
98.03712	0.4
98.97582	7.0
99.04445	1.1
99.05584	0.9
99.97923	0.4
100.02504	0.3
100.07603	1.9
100.11255	0.9
100.99162	0.7
101.00878	16.9
101.06039	1.6
102.00973	0.7
102.02431	1.4
102.97017	0.3
103.02443	1.7
103.03251	1.0
105.00366	0.6
105.02125	0.5
109.02843	1.8
109.06554	0.3
110.01353	0.6
110.03161	0.4
110.06046	1.2
110.09669	0.5
110.97573	0.6
111.02921	1.3
111.04437	1.8
112.07619	0.4
112.99146	0.7
113.00893	0.8
113.06008	1.4
113.11623	0.4
114.05551	0.5
114.09112	0.4
115.00647	0.6
115.02446	1.1
115.97867	0.7
116.07088	2.9
116.97816	0.5
116.98633	8.2
117.03989	0.5
117.98976	0.4
118.01125	0.8
118.03561	0.7
118.53604	0.3
119.01923	100.0
120.01994	4.7
120.03432	0.9
120.98058	0.4
121.01669	2.0
121.02420	0.4
121.03469	1.3
124.02442	0.5
125.05959	0.5
125.11558	0.3
127.00832	0.5
127.02380	3.6
127.03967	0.8
127.04998	1.7
127.07023	0.5
127.08692	0.5
128.02335	0.8
128.10718	1.2
128.98637	1.5
129.05478	1.0
131.00270	1.6
131.01907	10.8
131.08586	0.6
131.96190	0.5
131.99693	0.3
132.01985	0.6
132.05067	0.9
132.95796	0.7
133.01736	0.6
133.03470	6.9
134.02406	0.3
134.03622	0.7
134.99672	6.1
135.05038	0.5
136.04562	0.3
137.02957	32.2
138.03058	1.8
139.02625	0.7
140.00259	0.5
141.05489	0.5
142.03505	3.9
143.01918	5.6
143.03596	0.4
145.03467	64.6
146.03589	3.5
146.08107	0.4
146.99664	2.2
147.01376	0.6
147.05032	1.3
149.01198	2.3
149.02977	4.3
149.06694	0.4
149.10138	0.4
149.97192	1.6
150.00711	0.6
150.06104	0.9
150.96906	1.3
151.04533	1.8
152.06870	1.0
153.00710	1.0
154.03575	0.5
155.01913	2.1
155.07036	1.1
155.12617	1.2
156.05113	0.7
156.10286	0.6
157.03503	1.7
158.01207	0.3
158.06642	0.4
158.99661	0.9
159.01491	0.5
159.03255	0.4
159.05054	2.0
160.04585	1.4
161.02971	10.9
161.05531	1.1
162.03223	0.7
162.99176	1.0
163.02878	1.8
163.04526	28.8
164.04665	1.4
165.00746	1.3
165.06146	0.5
166.03766	0.4
168.05060	3.1
173.02972	5.2
173.04361	0.7
173.06703	0.6
173.08440	1.9
173.13242	0.5
174.06206	2.0
174.11308	0.7
175.04504	0.9
177.00734	1.5
177.02373	0.7
177.06143	0.8
179.04004	0.4
183.01764	0.3
184.04581	0.7
185.02982	1.8
186.06169	1.3
187.04527	0.4
191.02449	0.7
191.04045	1.8
191.07594	0.7
192.07156	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54063	0.3
53.03971	0.5
55.01869	2.6
55.05512	17.8
56.04827	0.4
56.05074	1.3
56.05880	0.6
56.96565	26.6
57.03436	4.4
57.07104	0.6
57.99599	0.3
58.06631	0.8
58.99863	3.0
59.04996	3.2
60.95883	0.5
61.02961	1.3
67.05536	1.2
68.05841	0.3
68.98319	0.5
68.99798	0.5
69.03435	4.7
69.07116	0.5
69.96205	0.4
70.02967	0.3
70.06600	3.3
70.95903	0.5
70.98152	0.5
70.99857	1.5
71.01405	1.0
71.05037	1.0
71.06137	0.6
71.56927	0.5
71.57295	0.5
71.95306	1.1
72.08194	0.9
72.93787	3.6
73.02915	2.0
73.06596	1.1
73.08530	1.0
74.06118	0.9
74.97654	1.0
76.02257	1.2
77.00906	6.6
79.00701	0.5
81.03414	2.3
81.04584	0.4
81.07082	0.7
82.02730	0.7
82.06580	1.6
82.99899	1.2
83.04980	19.1
83.06952	0.7
83.08621	0.4
84.04515	0.7
84.05296	1.8
84.08177	1.2
84.96078	1.4
85.02909	4.4
85.06580	0.6
86.06081	0.5
87.04470	1.9
88.96922	0.4
88.99187	0.4
89.00925	1.2
89.02436	1.3
90.94836	2.7
91.02477	1.2
91.03229	0.7
91.05510	0.6
92.98674	0.5
94.02699	0.4
95.01386	0.6
95.01956	4.6
95.03502	0.4
97.02873	4.0
98.01335	0.4
98.03246	0.4
98.06072	0.5
98.97589	4.0
99.04490	1.6
99.05607	2.4
99.06390	0.4
100.02558	0.9
100.07612	3.0
100.99135	0.5
101.00876	13.8
101.02496	0.4
101.03457	0.5
101.06018	11.1
101.06676	0.7
102.00980	0.6
102.02424	1.6
103.00687	0.5
103.02471	2.8
103.03307	2.0
104.01312	0.4
104.02185	0.4
105.00333	1.5
105.02211	0.7
105.02884	0.5
105.07073	0.3
107.01942	0.6
108.95871	1.9
109.02869	0.5
109.06567	0.5
110.01342	0.5
110.04007	0.4
110.06056	1.1
110.09656	0.5
110.10523	0.4
111.00851	0.5
111.02950	1.2
111.04441	11.5
111.98529	0.5
112.07616	0.5
113.00878	1.1
113.02370	1.5
113.06000	1.9
113.96385	0.7
114.02586	0.4
114.05524	0.9
115.02420	2.3
115.03176	0.5
116.07071	2.8
116.41257	0.3
116.98621	4.9
117.01978	0.5
117.07037	0.5
118.01160	1.0
118.03546	1.5
118.52615	0.3
119.01919	100.0
119.08576	0.4
120.01989	4.3
120.03390	0.7
121.01656	4.9
121.02388	0.4
121.03489	1.9
122.53732	0.4
123.01385	0.8
123.03159	0.4
124.02431	0.5
125.11568	1.2
127.01530	0.7
127.02401	2.9
127.03966	1.1
127.05037	6.0
127.07542	1.9
127.08559	0.6
127.13142	0.4
128.07048	0.8
128.10710	0.3
128.98598	1.1
129.02936	0.4
129.03954	0.8
129.05475	9.5
129.06923	0.4
131.00180	1.1
131.01897	11.0
131.02832	0.7
131.08574	0.9
131.96188	0.3
131.97400	0.8
132.02016	0.7
132.05067	1.3
132.95811	0.6
133.03465	16.2
133.98868	0.4
134.03696	1.6
134.04536	0.3
134.99657	6.9
135.01311	0.4
135.03093	0.7
135.05006	1.0
137.02951	36.8
137.11511	1.1
138.03053	1.9
139.02654	1.6
141.01854	0.5
142.02614	0.4
142.03528	6.0
143.01923	2.3
143.03566	0.3
143.08524	0.5
144.04985	0.3
144.99844	2.1
145.03461	50.5
145.10030	0.6
146.03575	2.9
146.04665	0.5
146.08095	0.4
146.99631	3.9
147.01382	0.8
147.03973	0.5
147.05002	1.9
147.06134	0.4
149.01187	2.9
149.02966	5.4
149.04787	0.6
149.06567	0.5
149.96048	1.0
149.97183	1.7
149.98180	0.3
150.00691	1.0
150.01770	0.4
150.06108	1.4
150.96884	2.7
151.04506	5.1
153.00797	1.7
153.02321	0.4
154.03438	0.6
155.01913	2.4
155.03041	0.4
155.07036	10.6
155.08188	0.4
155.12633	2.7
156.05023	1.0
157.03429	1.6
158.01170	0.4
158.10901	0.5
159.01367	0.8
159.05005	1.5
160.03043	0.6
160.04533	1.8
160.97536	0.3
161.01108	0.4
161.01439	0.4
161.02959	6.9
162.02974	0.4
162.99113	1.7
163.00830	0.6
163.04523	20.6
164.04677	1.0
165.00739	1.5
165.04939	0.4
167.02058	0.7
167.03918	0.5
167.97119	1.0
167.98334	0.4
168.05067	3.0
169.03459	0.8
171.01413	0.5
172.04436	0.4
172.99153	1.5
173.01073	1.0
173.02966	7.7
173.04323	0.6
173.05539	0.5
173.06613	0.6
173.08086	12.8
173.13356	1.4
174.02995	0.4
174.06209	3.2
174.07542	0.8
174.11203	0.8
175.04527	0.6
177.00635	0.9
177.02367	1.8
177.06038	1.2
179.03937	0.4
183.01776	0.5
184.04515	0.6
185.02992	1.5
186.06085	0.6
187.04437	0.6
189.02434	0.7
190.98509	0.8
191.00291	2.1
191.02190	0.7
191.03995	3.5
191.05624	0.7
191.07590	0.8
192.07118	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1168
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
55.01862	2.7
55.05514	9.8
56.96555	3.1
59.04990	0.9
65.03924	1.1
67.05495	2.5
69.03419	1.1
69.07050	4.1
70.95393	2.1
72.04515	26.0
79.05471	2.4
81.03433	6.2
83.08616	5.0
84.04512	1.3
84.08103	1.0
88.90836	1.1
89.07159	15.4
91.05481	11.2
93.07032	2.2
97.02861	1.4
97.06564	1.3
98.97587	1.2
105.07030	5.4
107.01312	6.9
109.02906	8.7
111.04448	1.9
111.90782	1.1
115.05460	5.9
116.98614	1.9
117.07031	6.4
125.02349	4.4
127.03889	6.7
128.06216	19.1
129.07005	88.5
130.07759	3.3
131.08560	4.1
134.99654	2.6
141.07005	4.6
142.07761	4.6
143.08560	43.4
144.08911	1.7
145.06493	2.1
153.01834	6.3
156.09335	9.8
169.10144	2.1
171.02872	3.8
171.05536	1.3
171.08092	2.6
171.11688	100.0
171.14850	9.3
171.99506	0.9
172.09741	1.9
172.12027	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	172.1332
Annotation	gabapentin
Peak:m/z	Relative Intensity
53.03938	1.8
54.03475	0.6
55.01873	1.1
55.05510	30.4
56.05029	2.6
56.96561	1.6
57.03435	1.7
57.07076	1.8
58.06585	1.2
59.04995	1.1
65.03951	0.9
67.04250	0.7
67.05500	9.0
68.05023	1.1
69.03432	0.7
69.05772	0.5
69.07064	2.5
70.06242	0.9
70.06590	7.9
70.92525	0.7
70.92876	1.4
71.04977	0.8
72.08154	25.0
72.93791	2.3
73.08473	0.6
74.06071	5.6
80.05011	1.1
81.03438	0.8
81.07065	2.8
82.06067	0.6
82.06577	31.2
83.04978	100.0
84.04514	1.1
84.05326	1.8
84.08135	5.2
85.06533	2.6
86.06081	1.1
90.94834	1.4
91.05484	0.7
93.07042	0.9
94.06570	6.4
95.04973	1.0
95.08610	1.1
96.08124	1.0
96.39348	0.5
98.06052	24.7
98.09675	0.7
98.97575	1.2
100.07617	5.9
101.06023	2.1
107.07336	1.7
108.08112	3.5
109.06493	0.7
109.10149	8.3
110.06033	1.5
110.09678	2.3
110.43787	0.5
111.04402	2.9
112.07603	9.6
112.11215	1.1
113.06032	0.5
119.08596	0.6
121.08892	1.6
124.07584	0.9
124.11225	25.8
125.09592	0.6
125.11555	0.8
126.09206	0.6
126.12791	13.3
128.10713	9.3
129.05487	1.2
130.08685	0.7
134.99692	1.2
136.11211	22.7
137.09657	1.3
149.96046	0.8
154.12262	62.0
155.07027	2.5
155.12622	1.7
167.97134	0.8
170.20898	0.7
172.13309	13.5
173.08189	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1167
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
50.82468	0.3
55.01882	0.6
55.05510	1.9
57.03453	0.7
57.07068	0.7
61.69183	0.3
67.05517	0.7
68.05013	0.4
69.03449	0.5
69.07084	1.1
70.06598	0.4
70.53322	0.8
70.53664	0.6
71.05006	1.0
71.06096	0.4
72.04520	2.2
72.08175	0.6
73.02908	0.3
74.84332	0.3
75.45369	0.3
79.05493	1.9
81.03416	0.7
81.07046	0.9
83.04994	0.8
83.08616	0.7
85.06532	0.4
86.94447	0.3
89.07130	1.6
91.05482	1.1
93.07053	0.8
95.08602	0.4
97.06549	0.6
105.06991	1.8
107.01312	0.7
107.08582	0.9
109.02845	0.8
109.10154	0.4
111.08072	0.8
111.09251	0.3
115.05460	1.9
117.07013	0.4
120.13597	0.4
125.02349	0.5
127.03957	0.5
127.65717	0.4
128.05267	0.5
128.06221	10.0
129.07010	5.5
130.07796	0.7
131.08539	0.6
141.06981	26.9
142.07806	5.4
143.08559	16.6
144.08057	0.8
144.08997	0.4
145.06483	0.7
153.01837	0.5
153.06935	0.9
154.07756	0.5
155.05994	0.5
155.08556	8.7
155.13628	0.3
156.09344	100.0
157.09712	4.1
167.26523	0.3
169.10033	0.4
171.02954	0.4
171.11682	44.3
171.14751	1.6
172.12247	1.8
188.77911	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.5
53.03946	3.5
55.01868	3.9
55.05510	4.3
56.02191	0.5
56.05037	3.1
56.96563	21.1
56.96846	1.0
57.03432	1.0
57.07077	0.7
58.06610	2.0
58.90834	0.5
59.06118	0.7
59.99044	0.5
60.04549	0.7
64.77199	0.6
65.03935	1.1
67.05509	2.5
68.05025	3.4
68.99796	1.4
69.03101	0.8
69.03423	3.8
69.07078	2.4
69.36996	1.9
69.37418	3.5
70.06588	2.6
70.94267	0.8
70.94760	0.5
71.04996	1.1
71.95248	0.7
72.04514	5.0
72.08154	8.0
72.93796	1.5
74.02419	1.0
74.06087	1.0
79.01841	3.3
79.05488	3.9
80.05037	0.7
80.05830	0.9
81.03413	27.7
81.07054	8.5
82.03749	1.0
82.06580	7.9
83.04977	3.4
83.06101	6.2
83.08626	2.1
84.04509	1.1
84.08143	9.2
85.02896	1.1
86.06071	0.7
86.09700	3.8
88.95261	0.5
89.07140	3.9
91.05466	2.5
93.05783	1.3
94.06575	0.8
94.33398	0.5
95.04965	1.5
96.02115	0.8
96.08125	12.2
97.02874	3.5
97.06545	1.3
98.06042	1.7
98.09689	11.8
98.97577	6.9
99.04427	0.9
100.07646	1.5
101.00851	1.2
101.07971	1.1
103.02451	1.2
107.01312	28.3
107.04941	1.6
108.01627	0.9
108.05309	1.4
108.08105	13.4
109.02876	39.2
109.06494	1.3
110.03228	1.0
110.07180	1.2
110.97564	0.8
111.04448	4.0
112.07607	1.6
116.00201	0.8
116.98608	8.7
118.03500	1.2
119.01916	13.6
119.04959	0.7
120.02077	0.7
124.04926	0.9
124.11250	0.7
125.02353	22.9
125.06055	3.3
125.10748	100.0
126.02679	0.7
126.05505	0.9
126.06348	0.8
126.09146	2.3
126.11124	3.4
127.03915	27.8
128.00171	0.6
128.04207	0.7
128.98587	0.8
129.10220	1.0
130.08667	1.0
131.01915	1.1
134.99649	11.5
135.00755	2.2
135.06355	1.9
136.04672	1.4
136.07582	1.1
137.02910	6.1
137.05965	6.8
139.00252	2.7
139.02954	0.5
139.03870	3.7
142.03476	0.9
143.00130	1.7
143.01607	1.4
143.03377	1.8
145.03407	0.6
146.01268	1.3
146.99678	2.9
147.01410	1.2
147.03223	0.7
147.04956	0.8
147.96896	1.7
148.01559	1.3
148.97301	0.9
149.01146	0.9
150.06140	0.8
153.00719	2.3
153.01819	27.7
153.05412	0.8
153.07379	2.6
154.02182	0.8
154.05838	4.9
154.08620	2.6
154.12288	0.8
155.05901	0.5
155.07030	0.8
157.01314	4.9
161.01233	5.6
161.02522	0.8
165.00717	0.6
165.97920	1.3
171.01396	1.0
171.02885	11.2
171.05087	0.7
171.06454	0.9
171.11266	35.3
171.14871	2.3
172.09671	2.1
172.11536	0.7
172.93521	0.6
179.02319	3.2
189.00708	1.2
189.02310	0.7
189.04239	1.2
189.05913	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1016
Annotation	Isoboonein
Peak:m/z	Relative Intensity
53.03944	2.8
55.01870	6.2
55.05510	18.2
56.05032	1.7
56.96560	4.4
57.03434	5.6
59.04994	2.6
59.06115	1.9
60.04514	1.6
65.03943	6.6
67.05505	74.0
68.05849	1.7
68.99774	2.5
69.03432	5.5
69.07057	11.2
70.06587	3.0
70.09766	4.2
70.10180	2.8
70.89763	1.6
70.94263	1.7
71.04983	5.3
72.04511	24.0
72.08156	4.0
72.93791	3.8
73.02909	5.7
79.01859	1.7
79.05493	45.3
80.05827	1.5
81.03419	15.8
81.07059	36.7
82.06583	1.3
83.01350	1.7
83.04984	16.4
83.06086	1.8
83.08604	7.1
84.04511	6.1
84.08161	2.2
85.02899	4.7
85.06549	4.0
85.07719	1.9
86.09721	8.1
87.00839	1.9
87.04475	1.7
88.11279	1.7
89.07153	17.2
91.05474	11.9
93.03415	4.9
93.07045	5.8
95.04957	3.8
95.08620	2.9
97.02875	1.5
97.06519	5.6
97.10171	1.4
97.15498	1.4
98.97566	1.4
104.03468	5.0
105.07053	7.2
107.01323	11.2
107.04944	2.2
107.08593	100.0
108.08923	2.0
109.02876	14.4
109.06497	4.1
109.07623	1.6
109.10157	20.7
111.04445	37.9
111.06396	2.0
111.08056	7.1
111.09211	3.2
112.03959	4.6
112.05042	2.1
112.07597	1.6
115.05467	4.4
116.98687	2.1
117.07007	2.6
121.46796	1.4
125.02354	9.9
125.06030	1.5
125.09632	14.9
126.09137	1.4
127.03928	14.8
127.07600	2.0
128.06166	7.1
129.06992	5.1
129.35089	1.4
134.99644	3.4
135.00780	1.8
135.08107	7.2
139.03954	3.4
141.07004	4.7
143.03433	1.4
143.08536	8.5
144.08112	2.3
146.99670	1.7
147.96954	4.2
148.97438	1.5
153.01808	11.9
153.09114	24.5
156.09349	17.2
157.01335	2.2
165.97969	5.0
171.02934	8.8
171.04172	2.2
171.05481	2.4
171.07938	2.7
171.10100	5.2
171.11716	10.9
171.14899	10.0
172.07553	2.6
172.09712	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	171.1016
Annotation	Isoboonein
Peak:m/z	Relative Intensity
50.54744	0.6
53.03943	1.4
54.36541	0.8
55.01861	5.1
55.05268	0.9
55.05511	14.8
56.05035	0.9
56.96556	2.7
57.03431	6.7
57.07065	2.1
59.05001	1.6
65.03931	6.5
67.05503	78.8
68.05038	1.3
68.05839	1.8
69.03438	4.0
69.07068	10.9
70.02948	1.2
70.06576	2.1
70.94255	1.8
71.04980	3.0
71.58547	0.9
72.04514	13.7
72.08150	2.3
72.93778	1.9
73.02920	4.9
79.05491	44.7
80.05829	1.0
81.03403	3.9
81.07056	36.5
82.07391	1.2
83.01333	1.1
83.04981	15.8
83.08637	5.4
84.04498	2.0
84.08129	1.9
85.02911	4.9
85.06522	2.3
86.09700	5.6
87.04466	0.8
88.11234	1.0
89.07143	7.9
91.05474	10.5
93.03383	5.2
93.07038	5.6
95.04959	3.0
95.08600	2.8
97.02911	1.4
97.06523	5.3
97.10136	1.5
98.06055	0.8
101.04218	0.7
101.06033	0.9
104.03455	3.8
105.07020	6.2
107.01344	3.3
107.04967	3.5
107.08590	100.0
108.08289	0.9
108.08909	4.2
109.02877	4.5
109.06509	4.2
109.10150	18.1
110.03495	0.7
110.06068	0.7
110.07174	0.7
111.04438	37.6
111.08072	5.7
111.09196	1.6
112.03965	2.4
112.04951	0.9
112.07600	1.7
113.05904	0.9
115.05432	3.0
116.98662	1.7
117.07027	1.1
125.02345	2.2
125.06059	0.7
125.07957	1.1
125.09631	12.1
126.10046	0.8
127.03894	3.4
127.07565	1.4
128.06226	5.0
129.05531	0.9
129.06998	1.2
130.96272	0.8
134.99661	1.4
135.08055	6.7
135.11678	0.8
135.29900	0.6
139.03908	2.7
141.07004	3.3
142.07736	1.0
143.03392	0.8
143.07561	1.1
143.08534	6.4
144.08083	1.3
147.96906	2.2
148.97366	1.3
153.01834	4.7
153.09090	26.1
156.09351	12.7
157.01350	1.7
157.09700	0.8
165.97940	1.9
171.02890	2.0
171.04253	0.8
171.05597	0.8
171.07864	1.2
171.10114	5.7
171.11688	8.1
171.14905	4.2
172.07510	1.0
172.09703	2.0
185.99966	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1016
Annotation	Boonein
Peak:m/z	Relative Intensity
53.03941	1.6
55.01872	4.5
55.05512	12.4
56.05040	1.0
56.96334	0.8
56.96565	8.5
57.03439	6.2
57.07072	2.2
58.06585	0.9
59.04987	1.0
61.02898	0.8
65.03939	5.6
67.05502	77.8
68.05029	0.8
68.05817	1.2
68.99791	0.9
69.03425	7.9
69.07065	10.6
70.02943	1.0
70.06581	3.9
70.82700	2.0
70.94254	0.8
71.04977	3.7
72.04515	14.4
72.08152	2.1
72.93780	2.5
73.02919	10.2
79.05492	46.0
80.05826	1.5
81.03419	10.3
81.07057	47.6
82.07358	0.9
83.01331	1.2
83.04980	13.7
83.06107	1.6
83.08610	5.0
84.04511	1.0
84.08166	1.5
85.02906	3.6
85.06512	1.1
86.06072	1.5
86.09696	2.4
87.04469	2.2
89.07161	9.8
91.05465	8.6
93.03413	4.1
93.07038	6.0
95.04942	2.3
95.08608	1.7
96.04478	1.3
96.37743	1.0
97.02882	2.4
97.06528	4.2
97.10166	2.4
98.97580	1.4
99.04439	1.1
104.03463	0.9
104.08310	0.7
105.07009	5.8
107.01318	8.9
107.04937	2.9
107.08591	100.0
108.08916	2.3
109.02877	9.7
109.06496	4.1
109.10155	20.4
111.04436	40.6
111.06369	1.1
111.08079	4.6
111.09201	2.7
112.07571	2.1
114.09196	0.9
115.05436	2.0
116.98617	1.7
117.06987	4.2
119.06023	0.9
125.02362	6.0
125.05954	0.8
125.07969	2.1
125.09633	14.0
126.09164	1.4
126.10052	0.8
127.03916	8.2
128.06253	4.3
128.07031	1.0
129.06966	0.8
130.08626	1.2
133.61810	0.8
134.99693	2.3
135.08052	11.7
135.11754	1.1
139.03891	3.2
141.06966	2.4
142.07732	1.5
143.08556	5.1
144.08047	1.9
146.99713	1.6
147.96890	2.8
148.97334	0.9
153.01813	8.5
153.09097	52.9
154.09523	2.3
156.09352	8.4
157.01279	1.1
165.97971	2.4
171.02986	4.9
171.04175	1.2
171.07927	1.8
171.10159	23.1
171.11679	5.6
171.14897	3.8
172.09633	1.3
189.04288	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0653
Annotation	AC1OCV3S
Peak:m/z	Relative Intensity
51.02376	0.4
53.03942	0.7
54.73629	0.2
55.01867	2.7
55.05513	4.8
56.96565	2.3
65.03942	31.1
65.51720	0.3
66.04265	0.6
67.05505	2.4
68.02651	0.7
68.99792	11.0
69.03435	2.3
69.07043	0.3
70.94253	0.5
70.97926	0.9
71.01348	0.7
71.04993	0.6
72.04519	2.5
72.08179	0.4
72.93782	1.6
74.74765	0.3
79.01866	1.2
79.05483	0.6
81.03420	6.2
81.07063	0.3
83.01345	0.7
83.04982	12.0
83.06077	0.4
83.08630	0.6
83.49498	0.3
84.05283	0.4
84.08138	0.3
85.02885	0.3
86.09719	1.1
89.07180	1.6
90.94813	0.4
93.03407	5.4
95.04949	0.5
96.02116	1.9
97.02883	1.8
98.97594	0.5
105.80824	0.3
107.01310	2.3
107.02538	0.4
109.02867	3.0
110.03696	0.3
111.04442	100.0
111.69769	0.2
112.04753	2.1
121.02920	1.1
121.04002	6.5
123.04465	0.3
125.02378	2.5
127.03922	2.8
128.04295	0.4
134.99681	0.7
139.03902	86.8
140.04257	2.1
141.01973	0.3
143.03375	0.8
147.04346	0.3
147.96916	2.6
149.03702	0.3
149.38678	0.3
151.20299	0.4
153.01854	2.0
154.02809	0.3
156.03787	0.6
157.01347	0.6
165.97989	1.8
171.02943	1.6
171.06538	3.2
171.14946	1.1
177.03070	0.5
185.98523	0.3
186.68776	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0288
Annotation	Gallic acid
Peak:m/z	Relative Intensity
51.02376	1.2
53.03945	7.1
55.01867	5.2
55.05507	7.6
56.05025	1.7
56.96561	6.2
57.03431	1.3
57.04546	1.3
57.07058	2.2
58.06596	1.1
59.04974	1.1
59.06121	1.1
60.04518	0.9
67.05489	3.0
68.05026	1.2
68.99777	2.0
69.03426	6.7
69.07065	4.4
70.06574	2.9
70.94244	2.6
71.04939	1.1
72.04516	23.6
72.08150	10.8
72.93781	7.7
79.01850	10.6
79.05473	3.5
81.03416	75.7
81.07062	2.6
82.03733	2.1
82.06592	1.4
83.04981	2.3
83.06064	1.6
83.08625	6.0
84.04478	0.9
84.08122	3.0
85.02908	1.9
85.07645	1.1
86.09694	6.2
87.04462	0.9
88.07562	0.9
88.95293	2.6
89.07145	16.2
90.94811	1.3
93.07014	1.2
95.08598	1.0
96.02114	2.3
97.02896	8.5
97.06502	1.7
97.07631	1.0
97.10181	1.0
98.06062	1.2
98.97600	1.3
99.05543	1.3
102.34915	1.0
106.96309	1.2
107.01311	79.1
107.08614	2.0
108.01640	2.4
109.02877	100.0
109.06511	1.1
109.10141	1.3
110.03212	1.6
111.04417	5.2
111.06403	1.2
111.08064	1.8
111.09196	3.2
112.05074	1.3
112.07571	1.5
113.10813	1.2
113.96445	1.1
114.06683	1.2
115.05471	2.3
116.98620	3.3
125.02351	56.1
125.05968	1.9
125.09589	1.3
126.09151	1.3
127.03912	73.3
128.04303	2.1
128.06230	3.0
131.97382	2.0
134.99660	4.5
135.00790	4.0
137.03490	2.5
139.03862	2.7
139.04883	1.0
141.06998	2.0
143.03384	3.4
143.06004	0.9
143.08562	4.1
146.99608	1.3
147.96919	8.9
148.97374	1.7
153.01826	77.1
153.07501	1.0
153.09142	1.5
154.02191	1.4
154.09753	1.7
156.09326	4.2
157.01317	2.4
165.97957	8.3
170.98471	1.1
171.02887	33.6
171.04164	1.6
171.05434	2.0
171.07961	2.0
171.10022	2.1
171.11505	1.8
171.13695	1.2
171.14967	7.5
172.07558	1.1
172.11052	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0287
Annotation	Gallate
Peak:m/z	Relative Intensity
51.02367	1.0
53.03951	5.3
55.01873	5.1
55.05508	6.5
55.38714	0.7
55.65671	0.6
56.96569	4.0
57.07072	1.1
65.03951	1.1
67.05509	1.6
68.99778	0.8
69.03432	6.1
69.04524	0.7
69.07069	3.2
69.37322	7.6
72.04517	18.4
79.01854	9.7
79.05486	2.5
81.03419	73.3
81.07047	1.1
82.03752	1.2
83.04990	1.1
83.08627	4.7
84.01602	0.8
87.04443	0.8
89.07159	9.9
91.05473	4.0
93.07044	1.1
95.08625	0.8
96.02100	1.8
97.02882	6.1
97.06526	1.3
97.08427	1.0
97.45541	0.7
99.04457	0.9
103.05482	0.8
105.07029	1.1
107.01316	73.4
107.08583	1.7
108.01625	1.4
109.02880	100.0
110.03209	2.1
111.04442	1.9
111.06411	1.2
115.05476	3.3
117.07045	2.5
125.02356	61.9
125.07979	1.8
126.02725	1.3
127.03918	73.2
128.04260	2.1
128.06238	9.8
129.07010	21.4
130.07880	1.3
131.08531	0.9
134.99863	0.8
135.00752	3.4
135.11761	0.8
137.03465	2.0
139.03937	1.6
141.06996	4.5
142.07784	2.0
143.03381	3.3
143.08565	16.2
144.08083	1.9
149.01215	1.4
151.26462	0.7
153.01830	65.1
153.07402	1.2
154.02199	2.5
155.08487	1.7
156.09346	16.1
167.02324	0.8
171.02898	30.6
171.08163	2.3
171.10144	1.3
171.11688	29.6
171.14874	4.9
172.03215	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0812
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
51.62978	0.5
53.03922	1.1
55.01869	4.5
55.05482	1.4
56.05008	1.5
56.96561	11.7
57.03423	1.1
60.04537	0.5
61.02912	0.6
65.03912	1.6
66.03456	0.6
67.04208	0.7
67.05471	2.0
67.05786	0.5
68.05004	2.1
68.99776	0.5
69.03399	1.4
69.05810	0.6
69.07057	0.8
70.03737	0.6
70.06563	1.6
71.01346	0.5
71.04978	0.9
71.18647	0.9
71.19016	0.4
71.95215	0.6
72.04482	0.9
72.08126	0.8
73.02879	0.6
74.06069	0.6
79.05491	7.6
80.04991	1.4
81.03417	3.0
81.05781	0.9
81.07034	1.6
82.06578	10.3
83.04979	3.9
83.06096	1.0
84.04474	1.4
84.08175	1.0
85.02885	0.9
86.06063	0.7
91.05465	0.8
93.05756	0.9
93.07019	0.6
94.06550	2.4
95.04965	3.6
95.07341	1.0
96.04516	1.0
96.08125	5.7
97.02856	2.2
97.06505	2.1
98.06065	2.8
98.06606	0.4
98.97558	2.6
100.07577	1.2
100.99136	0.6
106.06549	5.0
107.01292	1.1
107.04952	9.4
107.08574	0.6
108.04434	0.5
108.08094	1.0
109.02879	4.0
109.06493	0.5
110.06039	7.5
110.09615	0.6
110.97570	0.9
111.04440	1.7
114.05524	5.9
116.98601	1.6
119.01910	1.7
121.02848	0.6
121.06474	0.9
123.04469	4.4
123.05270	0.8
123.06799	1.7
124.05226	2.3
124.07586	17.7
124.11217	1.8
125.02324	1.2
125.05989	4.8
125.10748	1.3
127.03892	1.9
128.98595	1.7
131.00162	1.3
134.06009	71.1
134.99609	1.0
135.03328	0.8
135.04396	6.0
135.06342	1.9
136.05180	5.2
136.06201	1.5
139.00259	1.9
141.05479	0.7
142.04961	4.5
142.08600	1.2
146.97340	1.0
146.99635	1.7
147.05025	0.7
149.01193	1.0
152.07059	100.0
152.10596	4.0
153.01796	1.1
153.05460	21.9
153.07297	2.4
155.03453	0.6
157.01311	1.5
161.01282	0.7
165.00743	1.0
170.08139	17.1
170.09602	2.2
170.11772	2.0
171.11327	0.8
174.06100	1.2
179.02261	0.6
189.00699	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0812
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
51.52773	0.5
53.03955	1.8
54.03456	0.6
55.01871	42.5
55.05511	1.8
55.09515	0.5
56.05039	2.5
56.96566	28.2
57.03442	1.6
61.02932	0.7
61.33088	0.6
63.70586	0.5
65.03952	1.9
66.03469	0.7
67.04237	1.3
67.05505	1.9
69.03432	5.0
70.03784	0.9
70.06598	1.8
71.00504	0.9
71.04984	4.4
72.04529	0.7
73.02923	3.4
74.97629	0.8
77.00912	1.0
79.05495	8.9
80.05036	1.3
81.03431	3.0
81.04542	1.1
81.05812	1.2
81.07062	4.7
82.03751	0.7
82.06580	34.1
83.04972	4.1
84.04510	4.8
85.02905	5.1
85.06549	0.9
90.01549	0.8
91.02328	0.8
91.05461	0.7
93.05815	0.6
94.06568	2.3
95.04973	2.2
95.06132	0.7
95.07357	0.7
96.04501	0.6
96.06881	3.9
96.08130	50.5
97.02885	2.8
97.06549	2.5
97.07690	0.8
97.08473	1.0
98.03201	0.8
98.06055	4.5
98.97570	4.5
99.02085	1.2
100.02497	2.6
100.07639	0.6
100.99132	3.5
101.00854	1.3
102.02287	0.6
103.00638	0.6
103.02444	4.2
105.00404	0.8
106.06538	2.0
107.01311	1.5
107.04961	7.9
107.08652	0.8
108.04489	1.0
109.02881	2.4
109.06490	0.8
110.06042	94.2
110.97553	1.5
111.04448	2.2
111.06386	1.1
112.99150	1.1
113.01804	0.7
114.05552	5.1
115.02401	0.8
116.98624	3.3
117.04001	1.5
118.03523	2.4
119.00219	3.3
119.01928	9.7
120.01978	4.1
120.03270	1.2
121.01668	3.0
121.03457	2.1
122.02345	0.7
122.09660	0.8
123.06803	0.8
124.07590	60.4
124.11216	2.0
125.02377	0.7
125.06101	0.9
125.07111	2.9
125.07894	1.3
127.03933	1.7
128.07089	5.2
128.98604	3.2
129.03955	1.2
131.00185	3.2
131.01900	2.2
132.00500	0.9
132.01941	1.1
133.01665	1.6
133.03450	3.7
134.06017	39.9
134.99678	2.2
135.03409	0.6
135.04419	1.9
135.06358	1.1
136.38420	0.6
137.01224	0.9
137.03000	2.9
137.05957	0.9
138.03073	0.8
139.00290	1.1
139.02707	0.9
139.03906	1.0
142.05005	5.2
142.08629	15.5
143.00101	0.9
145.01732	1.2
145.03418	2.0
146.99660	5.7
147.01378	2.7
147.03203	1.8
147.05019	12.2
149.01210	3.5
151.04515	0.7
152.07065	100.0
152.10576	2.9
153.00671	0.6
153.01875	1.6
153.05487	4.8
153.07506	2.7
156.05069	0.6
157.01453	0.9
159.03134	0.7
161.01225	3.6
161.02930	0.7
163.02809	1.3
165.00705	4.1
165.04378	0.6
165.04640	0.8
165.06076	6.5
167.02162	0.9
170.03250	0.8
170.06674	1.9
170.08115	28.6
170.09325	1.0
170.11769	1.9
170.99644	0.6
171.02907	0.7
171.05028	1.1
171.07549	3.5
175.04497	0.8
177.00732	0.9
179.02245	1.1
183.01781	1.8
188.07739	0.7
189.00679	0.9
189.05908	0.6
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	(-)Arterenol
Peak:m/z	Relative Intensity
53.03940	1.7
54.03453	1.0
55.01871	41.9
55.05513	3.4
56.05035	6.3
56.96566	16.7
57.03432	1.4
58.06583	1.3
59.06110	1.5
60.04538	1.2
65.03940	3.7
66.04285	0.8
67.04235	1.5
67.05508	3.3
68.05032	4.4
68.99779	2.0
69.03423	4.7
69.04533	1.0
69.07050	2.2
70.02946	0.8
70.06600	6.9
70.94253	1.1
71.04996	1.3
71.57620	1.1
71.57997	0.9
72.04511	4.8
72.08143	2.7
72.93792	4.5
73.02907	3.2
74.06078	1.4
75.38479	0.7
79.01883	1.4
79.05489	11.9
80.04985	3.4
81.03420	11.9
81.07043	4.7
82.06580	33.2
83.04972	2.5
83.06103	2.5
83.06905	1.4
83.08596	0.9
84.04503	7.2
84.08134	2.7
84.96040	1.0
85.02911	3.3
85.04026	1.1
85.07688	1.0
86.06037	3.4
86.09702	3.3
89.07124	0.8
90.94814	1.9
91.05473	0.9
92.04996	4.8
93.05776	6.8
94.06564	3.7
95.04972	2.9
95.06094	1.7
96.04489	2.9
96.06863	2.2
96.08128	48.6
97.02882	3.3
97.06532	2.8
97.07666	1.6
97.08445	0.7
98.06059	6.0
98.97610	1.1
99.05595	1.5
100.03987	1.0
100.07628	1.4
103.02429	1.9
106.06548	2.6
107.01317	10.7
107.04956	9.9
107.08597	1.4
108.04494	1.5
108.08115	1.1
109.02882	13.1
109.06512	1.2
109.07649	3.3
110.06042	100.0
110.07109	4.0
110.97534	1.1
111.00800	0.9
111.04426	6.7
111.05626	1.5
111.06396	2.2
111.09219	2.1
111.53641	0.8
112.07607	4.4
113.96420	1.3
114.05524	4.0
114.09163	0.9
115.05521	0.8
116.98609	1.5
118.03513	0.8
119.01925	1.8
121.02865	2.2
123.05614	0.8
123.09161	1.0
124.03960	2.4
124.07593	64.8
124.11224	3.4
125.02364	9.5
125.05997	2.2
125.07108	1.8
125.07968	1.9
125.10756	0.8
126.03175	1.0
126.05594	0.9
127.03936	11.5
127.08686	1.2
128.03659	0.8
128.04572	5.2
128.06242	1.5
128.07095	5.8
128.98633	1.6
130.08655	1.9
134.03195	2.3
134.06029	2.5
134.99652	2.3
135.04442	3.6
136.06213	3.6
138.07910	0.9
139.00262	0.7
139.03900	4.2
140.04620	1.1
142.04993	2.8
142.05917	1.7
142.08641	17.7
142.09740	1.2
143.00157	1.1
143.03432	0.8
144.60539	0.7
146.96152	1.1
146.97394	2.4
146.99649	2.9
147.01399	1.9
147.96907	4.5
152.07074	55.0
152.09073	3.0
153.01837	9.7
153.02972	0.9
153.04291	1.0
153.05467	6.4
153.10245	2.9
155.03380	1.4
157.01360	2.6
158.06625	4.5
161.01212	2.3
162.06133	1.9
164.98428	1.3
165.00674	1.1
165.98015	4.5
170.03075	1.5
170.04494	2.5
170.05792	1.2
170.06772	1.3
170.08139	27.3
170.09618	13.7
170.11778	2.0
170.12950	2.1
170.98444	1.3
171.02916	5.7
171.11313	2.0
173.02859	2.0
174.04424	1.7
176.07681	5.5
179.02257	0.9
186.04370	0.7
187.02696	1.0
188.07693	5.4
188.92520	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0813
Annotation	(-)Arterenol
Peak:m/z	Relative Intensity
53.03935	2.0
55.01874	54.7
55.05503	3.2
55.66700	0.6
55.93525	0.6
56.02220	0.7
56.05040	4.4
56.96566	53.0
57.03438	4.4
58.06584	0.7
58.99856	1.0
59.04984	1.8
60.95837	2.5
61.02904	1.4
65.03940	3.6
67.04246	1.8
67.05500	3.1
68.05017	1.2
68.99790	1.9
69.03426	8.9
69.07056	1.5
70.03762	0.8
70.06586	2.2
70.32737	1.2
70.95866	1.2
70.98110	1.4
71.04993	9.3
71.95260	3.2
72.04507	1.7
72.05324	1.6
72.93783	1.1
73.02908	4.9
74.97598	3.0
77.00899	3.1
78.00967	1.5
79.00652	1.7
79.05495	10.0
80.05022	2.2
81.03420	5.6
81.04552	1.8
81.07063	5.6
82.01453	0.7
82.03761	0.9
82.06581	34.4
83.01347	1.8
83.04999	5.1
84.04510	6.8
84.96011	2.1
85.02908	12.4
86.03214	0.9
86.03686	0.8
87.04475	3.8
89.00816	0.8
89.07156	0.9
90.01554	4.4
92.05015	1.8
93.05792	4.6
93.07033	0.8
94.06579	1.9
95.01324	0.8
95.01937	1.6
95.04955	1.8
95.06042	0.8
96.02060	1.1
96.04472	2.0
96.06873	7.0
96.08131	53.7
97.02906	5.5
97.06530	3.0
97.07655	1.3
97.08495	1.1
98.06059	4.3
98.21407	0.9
98.97583	6.9
99.02068	4.9
100.02490	9.6
100.07598	1.4
100.99154	2.2
101.00883	2.8
101.02517	1.1
101.35590	0.8
102.00975	2.1
102.02241	4.4
103.00647	2.0
103.02461	6.2
104.01287	0.9
105.02145	1.0
106.02792	0.8
106.06535	1.5
107.00163	1.3
107.01289	1.1
107.04960	9.0
108.04437	1.6
109.02888	3.7
109.06496	1.4
110.06044	100.0
110.97556	1.8
111.00826	1.1
111.04446	10.3
111.06393	1.8
112.99123	2.2
113.00819	0.7
113.01794	3.5
114.05536	5.4
115.02428	2.9
115.03184	0.9
115.03966	1.9
115.05440	0.7
116.07114	0.7
116.45657	0.6
116.98621	8.8
117.02097	0.7
117.03989	1.7
118.01167	1.7
118.03535	9.4
119.00237	3.7
119.01054	1.5
119.01915	27.2
119.03664	1.2
120.02010	20.3
120.03210	4.7
121.01681	12.6
121.03488	5.7
121.91708	0.7
122.02335	1.9
122.07164	0.8
124.02846	1.2
124.07592	69.7
124.11250	3.5
124.12029	0.8
125.02459	1.2
125.03632	1.0
125.06148	1.3
125.07117	5.9
125.07909	1.5
126.05476	0.9
127.02534	0.7
127.03931	1.6
128.04594	0.7
128.07088	6.0
128.98589	4.0
129.04021	1.2
131.00165	4.9
131.01836	4.5
132.02055	2.5
133.01671	2.6
133.03467	8.7
134.06024	5.0
134.06938	1.1
134.99675	7.7
135.03232	1.9
135.04398	2.6
135.05217	1.2
137.02989	8.6
138.03098	6.2
139.00266	11.1
139.02713	4.7
139.03911	6.4
142.03497	2.1
142.04924	4.3
142.05933	1.1
142.08641	17.0
143.00185	2.4
143.03656	1.2
144.05179	0.8
144.48587	0.9
145.01715	3.3
145.03499	2.2
145.99913	1.8
146.03676	2.1
146.99623	16.4
147.01399	8.1
147.03198	6.3
147.05013	15.9
148.05229	1.1
149.01210	8.3
149.02975	1.0
150.01511	0.8
150.06165	0.8
151.02750	2.0
151.04555	1.9
152.07065	62.8
152.10632	1.7
153.00648	1.9
153.01849	3.0
153.05470	4.8
153.07401	2.4
155.03372	1.1
157.01324	29.0
159.03368	0.7
161.01236	8.6
161.02939	1.2
163.02789	3.2
164.00977	1.2
164.04480	0.8
165.00706	9.5
165.02438	2.9
165.04378	2.0
165.06116	9.1
167.02368	1.5
170.01382	1.6
170.03040	4.4
170.06641	2.6
170.08144	27.4
170.09608	8.8
170.11827	2.2
171.01511	1.3
171.02930	3.3
171.05171	1.3
171.07643	7.0
176.07733	0.8
177.00734	2.1
179.02292	2.9
183.01787	3.2
188.02341	1.5
188.07773	2.0
188.97154	1.3
189.00700	3.0
189.02400	1.6
189.06081	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77885	1.5
53.03948	7.2
54.03463	1.4
55.01869	60.9
55.05502	4.9
56.05030	4.8
56.76965	1.3
56.96566	100.0
57.03439	13.0
58.96164	2.5
58.99871	1.7
59.05005	3.1
60.95847	5.2
61.02918	8.2
65.03940	6.4
67.04251	2.4
67.05491	6.2
68.05030	3.6
68.99783	4.8
69.03432	19.0
69.07068	4.0
70.03761	4.3
70.06583	6.2
71.01354	1.5
71.04985	20.8
71.57234	2.1
71.95270	4.7
72.04510	4.9
72.05331	1.9
73.02923	8.0
74.03228	1.7
74.06080	1.6
74.97603	4.0
77.00871	2.4
79.05480	11.2
80.05026	3.5
81.01048	1.6
81.03415	12.2
81.04533	14.2
81.05817	1.8
81.07050	5.3
82.03760	3.2
82.06575	42.1
82.11304	1.4
83.00812	1.3
83.01331	1.6
83.04968	9.5
83.06916	1.4
84.04506	6.5
84.08141	3.4
84.96025	2.5
85.02901	26.0
86.03231	5.1
86.06065	2.7
86.99323	1.7
87.00800	1.8
87.04453	5.0
90.01565	6.3
91.02341	1.8
92.05012	3.5
93.05783	8.8
94.06573	5.1
95.04970	3.5
95.06082	3.2
96.04480	3.2
96.06878	8.9
96.08127	49.0
97.02322	1.7
97.02879	16.3
97.06529	4.0
97.07649	3.0
97.52500	2.2
98.01293	2.8
98.03226	8.3
98.06049	5.2
98.97576	16.2
99.02065	8.6
99.04474	3.2
100.02463	6.8
100.03989	2.1
100.99131	3.9
101.00921	2.3
102.02235	2.6
103.00618	1.5
103.02438	8.6
104.01283	1.7
106.02831	6.9
106.06548	5.1
106.53010	3.6
107.00159	1.6
107.01332	4.5
107.04941	8.1
107.08541	1.8
108.04456	1.7
108.08128	2.0
109.02864	9.1
109.06525	1.5
110.03248	2.9
110.06036	81.1
110.09617	1.8
110.51408	2.4
110.97588	3.9
111.00833	2.3
111.04440	18.0
111.06335	2.2
112.99154	7.8
113.01743	2.9
113.62331	1.5
113.99459	3.4
114.05536	11.9
115.02434	3.7
115.03994	2.2
115.53545	1.7
116.98615	19.0
117.04005	3.0
117.98986	2.4
118.01109	2.2
118.02785	1.9
118.03519	6.8
119.00184	6.1
119.01905	23.0
119.51984	2.6
120.02010	16.7
120.03286	3.9
121.01664	8.5
121.03473	6.9
121.06505	1.5
122.02335	1.8
122.07151	4.6
122.09635	2.1
124.02789	1.9
124.03961	1.6
124.07582	63.5
124.11211	6.9
125.02381	2.9
125.03580	2.8
125.06093	1.8
125.07132	6.4
127.00706	2.4
127.03918	6.5
128.03429	2.0
128.07100	6.2
128.98553	7.6
129.03969	3.9
131.00168	20.8
131.01895	4.6
132.00529	3.8
132.02031	4.4
132.99733	1.7
133.01712	3.1
133.03452	10.3
134.06018	11.7
134.07153	4.5
134.99657	21.1
135.04265	1.6
136.00029	2.7
137.02965	6.5
138.03055	6.3
139.00266	19.7
139.02771	3.3
139.03909	16.1
142.03429	2.1
142.04955	8.2
142.08614	18.4
143.00122	3.8
145.01707	7.2
145.03435	3.5
145.99898	1.9
146.03702	2.1
146.99638	29.9
147.01364	9.2
147.03198	5.8
147.05011	25.7
149.01213	37.4
149.03009	2.4
149.53006	2.5
150.01553	8.3
151.04538	3.5
152.07068	63.6
152.08209	7.9
152.10612	7.4
153.00609	5.9
153.01842	4.7
153.05487	3.0
153.07411	2.2
155.03343	1.8
157.01317	44.5
158.06622	1.8
158.99641	2.7
161.01181	11.1
161.02841	1.4
162.99213	1.9
163.02776	10.5
164.03160	2.9
165.00670	11.9
165.02121	1.5
165.06123	11.3
167.02284	4.4
168.02699	1.8
170.01283	1.8
170.03036	4.8
170.04433	2.1
170.05733	2.6
170.08119	28.3
170.09525	18.3
170.11635	7.3
171.02835	3.2
171.07607	7.4
176.07692	1.7
177.00710	4.5
178.55055	7.2
179.02310	5.4
183.01709	5.2
189.00691	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	170.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77885	1.5
53.03948	7.2
54.03463	1.4
55.01869	60.9
55.05502	4.9
56.05030	4.8
56.76965	1.3
56.96566	100.0
57.03439	13.0
58.96164	2.5
58.99871	1.7
59.05005	3.1
60.95847	5.2
61.02918	8.2
65.03940	6.4
67.04251	2.4
67.05491	6.2
68.05030	3.6
68.99783	4.8
69.03432	19.0
69.07068	4.0
70.03761	4.3
70.06583	6.2
71.01354	1.5
71.04985	20.8
71.57234	2.1
71.95270	4.7
72.04510	4.9
72.05331	1.9
73.02923	8.0
74.03228	1.7
74.06080	1.6
74.97603	4.0
77.00871	2.4
79.05480	11.2
80.05026	3.5
81.01048	1.6
81.03415	12.2
81.04533	14.2
81.05817	1.8
81.07050	5.3
82.03760	3.2
82.06575	42.1
82.11304	1.4
83.00812	1.3
83.01331	1.6
83.04968	9.5
83.06916	1.4
84.04506	6.5
84.08141	3.4
84.96025	2.5
85.02901	26.0
86.03231	5.1
86.06065	2.7
86.99323	1.7
87.00800	1.8
87.04453	5.0
90.01565	6.3
91.02341	1.8
92.05012	3.5
93.05783	8.8
94.06573	5.1
95.04970	3.5
95.06082	3.2
96.04480	3.2
96.06878	8.9
96.08127	49.0
97.02322	1.7
97.02879	16.3
97.06529	4.0
97.07649	3.0
97.52500	2.2
98.01293	2.8
98.03226	8.3
98.06049	5.2
98.97576	16.2
99.02065	8.6
99.04474	3.2
100.02463	6.8
100.03989	2.1
100.99131	3.9
101.00921	2.3
102.02235	2.6
103.00618	1.5
103.02438	8.6
104.01283	1.7
106.02831	6.9
106.06548	5.1
106.53010	3.6
107.00159	1.6
107.01332	4.5
107.04941	8.1
107.08541	1.8
108.04456	1.7
108.08128	2.0
109.02864	9.1
109.06525	1.5
110.03248	2.9
110.06036	81.1
110.09617	1.8
110.51408	2.4
110.97588	3.9
111.00833	2.3
111.04440	18.0
111.06335	2.2
112.99154	7.8
113.01743	2.9
113.62331	1.5
113.99459	3.4
114.05536	11.9
115.02434	3.7
115.03994	2.2
115.53545	1.7
116.98615	19.0
117.04005	3.0
117.98986	2.4
118.01109	2.2
118.02785	1.9
118.03519	6.8
119.00184	6.1
119.01905	23.0
119.51984	2.6
120.02010	16.7
120.03286	3.9
121.01664	8.5
121.03473	6.9
121.06505	1.5
122.02335	1.8
122.07151	4.6
122.09635	2.1
124.02789	1.9
124.03961	1.6
124.07582	63.5
124.11211	6.9
125.02381	2.9
125.03580	2.8
125.06093	1.8
125.07132	6.4
127.00706	2.4
127.03918	6.5
128.03429	2.0
128.07100	6.2
128.98553	7.6
129.03969	3.9
131.00168	20.8
131.01895	4.6
132.00529	3.8
132.02031	4.4
132.99733	1.7
133.01712	3.1
133.03452	10.3
134.06018	11.7
134.07153	4.5
134.99657	21.1
135.04265	1.6
136.00029	2.7
137.02965	6.5
138.03055	6.3
139.00266	19.7
139.02771	3.3
139.03909	16.1
142.03429	2.1
142.04955	8.2
142.08614	18.4
143.00122	3.8
145.01707	7.2
145.03435	3.5
145.99898	1.9
146.03702	2.1
146.99638	29.9
147.01364	9.2
147.03198	5.8
147.05011	25.7
149.01213	37.4
149.03009	2.4
149.53006	2.5
150.01553	8.3
151.04538	3.5
152.07068	63.6
152.08209	7.9
152.10612	7.4
153.00609	5.9
153.01842	4.7
153.05487	3.0
153.07411	2.2
155.03343	1.8
157.01317	44.5
158.06622	1.8
158.99641	2.7
161.01181	11.1
161.02841	1.4
162.99213	1.9
163.02776	10.5
164.03160	2.9
165.00670	11.9
165.02121	1.5
165.06123	11.3
167.02284	4.4
168.02699	1.8
170.01283	1.8
170.03036	4.8
170.04433	2.1
170.05733	2.6
170.08119	28.3
170.09525	18.3
170.11635	7.3
171.02835	3.2
171.07607	7.4
176.07692	1.7
177.00710	4.5
178.55055	7.2
179.02310	5.4
183.01709	5.2
189.00691	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	170.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18927	0.9
53.03949	1.2
55.01872	7.5
55.05505	1.8
56.05027	1.9
56.96567	11.2
57.03428	3.7
57.07075	1.0
58.99863	2.3
60.99619	1.7
61.02916	1.7
65.03951	1.7
66.26259	0.7
67.04252	1.2
67.05489	2.6
68.05026	5.9
68.98225	0.9
68.99788	1.5
69.03413	2.9
69.07077	1.4
70.06586	3.1
71.57097	1.2
72.04490	2.0
72.08118	1.0
72.93784	0.9
73.02908	2.8
77.00904	5.4
78.00968	1.2
79.00654	3.7
79.05489	3.3
80.05004	2.2
81.03405	4.9
81.07034	1.5
82.01423	1.1
82.06577	7.6
83.01321	1.3
83.04966	2.0
83.06099	4.1
84.01184	1.5
84.04500	2.8
84.08141	10.5
85.01411	5.1
85.02905	3.0
86.99366	1.2
87.04469	1.4
89.00877	1.1
91.05467	1.0
92.04980	3.7
93.05791	6.0
94.06552	2.7
95.01955	1.5
95.06085	6.3
96.04489	1.6
96.06876	49.3
96.08138	4.2
97.01692	1.5
97.02908	1.4
97.06557	1.0
97.07193	1.0
97.07670	10.7
98.06039	1.0
100.02483	16.1
101.00873	5.0
101.02572	1.4
102.00929	1.7
102.02238	18.3
102.02887	0.7
103.00626	2.2
103.02447	50.3
104.02531	2.5
105.00356	2.7
106.06556	3.0
107.01318	4.7
107.04935	1.8
107.08613	1.1
108.86875	0.9
109.02871	5.8
109.07642	28.3
110.06031	9.5
110.09653	1.0
110.97576	0.9
110.99336	1.6
111.04429	3.0
113.00887	0.9
114.05528	2.4
115.02385	1.5
117.02187	2.1
117.03984	1.5
118.01115	2.3
118.03527	18.6
119.01925	57.6
119.03638	1.9
120.02010	16.4
120.03267	18.4
121.01678	14.6
121.03482	49.6
122.03605	1.6
123.01427	1.7
123.03181	1.0
123.06810	1.2
124.03951	3.0
124.04824	0.9
124.07575	10.4
124.08685	5.3
125.02375	2.6
125.03696	1.2
125.07130	5.0
126.04023	3.0
126.05496	1.6
126.10282	10.8
127.03972	5.1
128.01945	5.1
128.07063	1.6
128.98599	1.6
129.00313	7.3
129.02081	1.2
129.03923	1.6
130.03607	1.2
131.01884	6.8
132.01970	5.9
132.05095	2.8
133.01648	4.4
133.03474	6.8
134.09630	1.2
134.99666	1.6
135.03223	3.2
135.05042	1.0
135.08054	1.2
136.04584	4.7
137.02956	39.0
138.03061	7.0
139.00266	4.3
139.02695	6.6
139.03807	2.4
142.03493	4.8
142.04927	1.7
142.08667	2.8
143.03543	1.1
143.04816	1.4
144.05054	3.0
145.03511	6.3
145.99950	1.8
146.01195	1.4
146.02856	16.5
146.99641	14.6
147.01387	100.0
147.03098	13.7
147.05002	10.2
148.01508	6.3
149.02948	2.0
150.02992	2.1
150.06148	1.6
151.02661	1.7
151.04523	2.2
152.01968	7.8
152.07069	9.4
152.64505	1.1
153.01912	4.9
153.05472	1.6
153.06683	1.7
154.03432	1.0
156.05020	1.2
157.01328	10.3
158.06647	2.2
160.04541	1.9
160.08176	2.3
161.01247	3.8
161.02991	2.0
163.02748	1.3
163.04463	2.7
164.04192	2.7
165.00670	17.1
165.02457	21.3
165.04282	3.6
165.06099	6.4
166.02522	1.1
168.05008	1.1
169.04713	0.9
170.01389	3.6
170.02994	92.3
170.04543	4.3
170.06653	4.9
170.08035	5.5
170.09338	22.2
170.11696	1.7
171.01430	3.9
171.03040	8.5
171.05141	1.5
171.07707	1.6
173.02330	2.0
176.07675	1.1
183.01700	3.3
186.06233	4.3
188.02280	3.6
188.04074	9.8
188.06076	1.2
188.07631	6.0
189.00810	1.0
189.02429	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	170.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50293	0.7
55.01867	9.2
55.05498	2.3
56.05029	2.3
56.96562	12.7
57.03429	2.6
57.07066	1.0
58.99863	3.2
60.22917	0.7
60.99614	1.5
61.02914	1.1
64.66047	0.8
65.03928	1.6
66.03438	0.8
67.05485	2.7
68.05025	4.5
68.99770	1.5
69.03424	3.1
69.07071	1.4
70.06578	2.8
71.04985	1.2
71.06998	1.5
71.07372	1.7
72.04508	1.5
73.02912	2.1
74.97623	1.0
77.00911	3.8
78.01006	1.4
79.00646	3.5
79.05479	3.6
80.04990	1.3
81.03418	6.2
81.07041	3.1
82.01443	1.7
82.06579	5.8
83.01304	0.9
83.04966	1.7
83.06100	3.3
84.04492	1.7
84.08156	8.1
85.01403	5.8
85.02908	1.9
86.06049	1.0
87.04444	1.4
89.00861	0.9
89.07150	1.6
90.65339	0.9
91.05446	0.8
92.04990	2.9
93.05764	4.5
93.07029	0.9
95.01944	2.6
95.04988	1.6
95.06086	5.5
96.02023	0.9
96.04495	1.9
96.06876	41.6
96.08125	7.4
97.01668	1.9
97.02887	2.3
97.06540	0.9
97.07653	9.1
98.06056	0.9
100.02478	14.8
100.03973	1.3
101.00862	5.2
101.02540	1.3
101.34928	0.8
102.00958	2.0
102.02237	18.0
102.52475	1.2
103.00600	1.4
103.02447	52.8
104.02548	2.3
105.00351	2.7
106.06578	1.4
107.01297	3.8
107.04942	2.3
107.08560	0.9
109.02873	7.6
109.07639	26.7
109.10110	1.1
110.06044	13.3
110.99370	1.0
111.04436	3.4
112.01154	0.8
112.07563	0.8
114.05506	3.3
115.02426	1.0
116.98631	1.8
117.02157	2.3
118.01135	2.1
118.02682	0.8
118.03518	15.5
119.01923	65.6
120.02017	14.2
120.03265	16.5
121.01665	10.9
121.03481	48.4
122.03607	2.0
122.05998	1.2
123.01382	1.3
123.04021	1.7
123.06807	1.5
124.07581	11.0
124.08702	3.0
124.11237	1.3
125.02345	3.8
125.03761	1.0
125.07117	4.4
126.04018	2.4
126.05508	1.1
126.09443	1.1
126.10262	7.5
127.03918	4.1
128.01898	1.2
128.07060	1.3
128.98567	2.2
129.00345	6.8
129.03951	1.1
130.03447	1.0
131.01930	5.2
132.01959	5.1
132.05093	1.0
133.01648	2.5
133.03490	5.9
134.03549	1.0
134.06010	0.9
134.09618	1.4
134.99690	1.3
135.00778	1.0
135.03215	2.7
135.08099	0.8
136.04514	3.9
137.02956	35.8
137.22662	0.8
138.03065	7.5
139.00253	3.6
139.02695	5.6
139.03719	1.5
140.07062	0.8
141.05122	1.2
142.03471	4.5
142.04999	2.4
142.05966	1.4
142.08638	3.4
143.00278	1.1
143.03593	2.3
144.03220	2.1
144.05058	2.6
145.03447	6.7
145.99922	2.0
146.01193	1.1
146.02827	13.6
146.03888	1.0
146.06593	0.9
146.99646	15.8
147.01389	100.0
147.03094	14.8
147.04976	9.5
148.01482	5.6
149.01233	1.0
149.02974	2.9
150.03122	2.4
151.02661	1.6
151.04526	2.3
152.01924	9.0
152.07076	13.0
153.01860	5.6
153.05475	1.6
153.06602	1.4
155.03308	1.2
157.01347	11.9
157.03386	1.2
158.06656	0.9
159.05122	0.9
160.04573	2.1
161.01219	2.1
161.02916	2.2
161.04648	1.0
163.04494	2.2
164.04254	1.6
165.00664	14.8
165.02461	18.6
165.04286	3.3
165.06125	5.6
170.01302	4.5
170.02992	92.8
170.04488	3.3
170.06648	4.5
170.08060	7.1
170.09378	19.9
170.11766	1.9
171.01419	5.2
171.03049	8.6
171.05075	1.3
173.02267	1.1
176.07713	0.9
183.01805	1.1
186.06126	3.4
188.02289	2.2
188.04092	9.3
188.05899	1.4
188.07536	5.4
189.02451	3.6
189.04103	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54819	0.3
50.69148	0.3
54.03469	3.6
55.01872	9.6
55.05498	1.2
56.05032	3.8
56.13729	0.4
56.96555	0.6
57.03428	1.1
57.07076	0.5
58.06595	0.5
59.06115	1.1
65.03941	0.9
67.05516	1.7
68.05020	0.9
68.99790	0.8
69.03413	0.4
69.07069	2.5
69.44381	0.3
69.85612	0.9
69.86027	1.0
70.06589	0.8
71.04993	0.9
71.06115	3.6
71.08630	20.7
72.04492	0.6
72.08148	1.2
78.04715	0.3
79.05508	1.2
80.46253	0.4
81.03432	1.7
81.04526	1.0
81.06638	0.3
81.07047	2.0
82.02941	100.0
82.06575	0.8
83.03275	1.5
83.04981	0.6
83.06098	0.9
83.67982	0.3
84.04494	3.0
84.08139	1.9
85.02898	1.1
85.07645	0.4
86.09705	5.1
88.11266	33.4
89.11585	0.4
90.45434	0.3
91.05479	0.9
93.05818	0.5
93.07026	0.8
94.06577	0.6
95.01311	0.7
95.04977	1.3
95.06072	1.1
95.08612	1.1
96.04494	2.5
96.08120	0.6
97.06496	0.5
98.06068	0.6
99.04529	0.5
99.05576	4.9
105.07036	0.6
107.04964	0.4
107.08607	0.7
109.02875	3.4
109.06520	1.1
109.07664	1.4
109.10155	0.5
110.06044	1.3
110.07174	0.6
111.00785	2.3
111.04428	1.6
111.05570	0.3
111.08084	0.7
111.08401	0.4
111.09194	4.5
112.07525	0.4
113.02380	0.8
113.06030	0.4
115.05452	0.4
115.18439	0.4
119.01971	0.4
119.55981	0.3
123.04401	2.3
123.08089	0.9
123.09145	0.4
123.11759	0.7
124.07587	1.4
124.08629	0.4
124.11219	2.5
125.05983	0.6
126.03139	3.8
127.03919	1.1
133.02850	1.1
133.10246	0.3
141.05469	9.3
141.06569	0.6
141.13866	7.1
142.46303	0.3
149.62732	0.3
151.03941	0.7
151.07591	0.5
151.11162	0.6
151.60220	0.3
152.07071	1.2
152.08176	0.5
152.10696	0.7
152.11780	0.5
154.02667	0.4
155.03392	1.1
163.97760	0.5
169.01349	2.2
169.05003	3.3
169.07582	1.0
169.08720	0.6
169.09779	0.8
169.12065	0.8
169.13379	8.1
169.14560	0.5
170.08215	0.7
170.09677	1.0
170.13763	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1223
Annotation	(6E)-8-Oxogeraniol
Peak:m/z	Relative Intensity
53.03938	3.4
55.01865	7.5
55.05513	12.8
56.96553	2.2
57.03426	3.0
57.07077	5.1
57.76918	1.0
59.04984	3.8
59.06122	2.1
59.34964	1.0
60.96719	0.9
65.03951	5.1
65.94402	1.0
67.05505	24.3
68.05020	1.9
68.99783	5.4
69.03423	5.4
69.07067	12.3
70.06583	1.0
70.64816	2.9
71.01342	2.9
71.04987	13.5
71.87476	0.9
72.04539	1.2
72.08151	1.4
73.06553	1.3
79.05489	11.8
81.03412	13.9
81.07057	60.7
82.06562	3.6
82.07361	1.9
83.04980	5.4
83.06120	1.4
83.08622	6.3
84.08138	3.3
85.02897	4.1
85.06564	6.7
91.05492	5.1
93.03380	1.3
93.05791	1.7
93.07034	11.7
95.04971	20.6
95.06122	1.2
95.08603	27.2
96.08112	4.0
96.08948	1.3
97.02884	2.2
97.06521	10.7
97.10178	1.6
98.03665	2.8
99.04463	8.5
99.08076	1.6
103.44472	1.1
105.07033	9.9
107.04948	2.1
107.07952	1.6
107.08602	15.8
108.02085	1.4
109.02883	25.4
109.06515	31.8
109.07664	2.4
109.10151	35.0
110.06035	7.8
110.07184	2.0
111.00800	18.5
111.04456	5.9
111.08078	100.0
111.09163	7.5
112.07624	1.2
112.08414	1.9
113.06027	5.3
115.05424	2.2
121.10139	9.3
123.04433	9.2
123.08066	28.8
123.11703	45.9
124.07590	4.6
124.08543	1.4
124.12038	1.5
125.09631	11.7
126.03130	29.7
127.03958	2.5
127.07515	1.9
133.02841	3.7
133.10138	6.1
137.01355	1.8
137.02338	23.9
138.06787	1.3
138.10406	12.5
139.03908	3.0
139.11163	9.3
141.05461	63.2
142.05779	3.0
142.08635	1.3
151.03854	4.9
151.07544	1.6
151.11171	24.2
152.07062	5.5
152.08212	1.9
154.02646	1.9
154.06245	10.9
154.07668	2.1
165.02332	0.9
169.04971	21.4
169.07434	5.7
169.08667	2.6
169.10004	2.2
169.12233	34.1
170.05920	2.9
170.08182	2.3
170.09633	4.8
172.20389	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1224
Annotation	(4R,7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone
Peak:m/z	Relative Intensity
53.03934	2.9
54.21220	0.6
55.01873	10.6
55.05513	24.5
56.96552	1.3
57.03426	1.8
57.07057	2.3
59.05009	3.7
65.03936	2.2
67.05505	40.4
67.11870	0.7
69.07068	7.0
70.40430	0.8
70.40777	2.6
71.01362	6.0
71.04996	10.0
79.05492	20.4
81.03408	3.1
81.07057	60.6
82.07375	1.7
83.04980	4.3
83.08620	12.4
85.02889	1.7
85.06544	2.1
87.40756	0.7
91.05485	17.5
93.05737	1.2
93.07050	7.9
95.04979	3.3
95.08614	6.0
96.08141	1.5
97.06538	1.4
97.10125	1.3
99.04425	1.2
105.07040	10.0
107.08596	8.1
109.02875	1.6
109.06512	2.4
109.10155	5.7
110.06028	2.2
111.00797	1.7
111.04428	1.3
111.08061	1.0
123.04405	1.6
123.08105	0.8
123.11698	6.9
124.07587	2.7
125.09645	0.9
126.03128	1.7
133.02832	1.5
133.10135	4.8
141.05484	4.6
141.07001	5.9
142.08693	0.8
151.03871	1.0
151.07657	0.7
151.11221	1.2
152.07063	1.8
153.07030	1.4
154.07794	5.3
169.04933	2.1
169.10182	7.7
169.12241	100.0
169.95537	0.8
170.08267	1.0
170.09601	1.8
170.12636	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	169.086
Annotation	1,3,5-Trimethoxybenzene
Peak:m/z	Relative Intensity
51.97540	0.2
53.03933	0.8
55.01862	0.9
55.05510	3.0
57.03435	1.5
57.07065	1.7
59.06106	0.2
65.03925	1.5
67.05502	9.4
68.99786	8.5
69.03429	1.6
69.07044	0.6
70.44863	0.4
70.45238	0.5
71.01349	0.3
71.04988	0.4
77.53709	0.2
79.05492	3.7
80.06319	0.2
81.03417	1.7
81.07056	6.7
82.06549	0.3
83.04983	1.5
83.08630	1.6
83.09034	0.3
83.64165	0.2
84.08134	0.5
85.02879	0.7
85.06530	0.9
85.07626	0.2
87.00826	3.2
90.82021	0.2
91.05466	1.6
93.03392	0.9
93.07045	2.1
94.04202	0.2
95.04958	2.7
95.08606	12.2
96.08138	0.2
97.06526	0.3
98.03661	0.4
99.04466	0.3
103.05461	0.6
105.07030	9.3
107.04993	0.5
107.08588	0.7
108.05722	1.1
109.02873	2.4
109.05879	0.4
109.06529	3.5
109.07648	0.3
109.10138	0.7
110.06037	0.5
111.00800	2.1
111.04433	2.4
111.09215	0.7
112.05193	0.3
113.02378	1.7
122.03591	0.4
123.04428	2.1
123.08063	7.5
123.11713	1.0
124.07620	0.3
124.08510	0.2
125.09578	0.3
126.03145	2.3
127.03906	0.6
127.07528	0.8
133.02824	0.6
133.06479	1.9
138.06732	0.7
139.03893	6.6
140.04683	14.8
141.05472	5.8
141.06618	0.4
141.07027	0.3
141.09102	1.5
151.03876	0.5
151.07523	1.8
151.11201	0.6
152.07104	0.3
154.02625	0.2
154.06247	9.1
154.07524	0.5
169.08598	100.0
170.08914	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	169.0495
Annotation	3-HYDROXY-4-METHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
53.03938	1.3
54.89427	0.9
56.96539	1.1
59.18998	0.8
65.03926	1.1
67.01864	31.0
67.05509	4.5
68.31680	0.9
68.99490	0.8
68.99790	8.3
70.74687	1.5
70.75082	1.9
79.05475	1.0
81.03413	2.5
81.07051	3.5
81.96369	0.9
83.04974	4.0
85.02902	15.8
85.18219	0.8
91.38683	0.8
91.72437	0.9
95.04964	9.3
95.08587	3.0
97.06516	0.8
105.06996	1.4
109.02848	6.2
111.00820	2.4
111.04446	1.1
111.09199	1.5
123.04426	42.2
123.08057	1.6
126.03106	3.0
127.03914	27.8
129.01814	1.5
133.02834	1.1
141.05490	5.6
151.03903	86.4
151.07483	1.8
152.04265	2.7
169.04962	100.0
169.08679	2.9
170.05333	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	169.0495
Annotation	3-HYDROXY-4-METHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
52.68121	0.4
55.01868	1.0
55.05506	0.5
56.96572	0.5
61.33626	0.3
65.03946	1.0
67.01862	7.2
67.05505	5.1
68.99786	4.0
69.32249	4.4
70.81982	0.3
76.53583	0.4
79.05483	0.7
81.03410	0.7
81.07057	1.3
83.04964	0.4
85.02883	1.1
95.04964	11.2
95.08619	0.6
96.08047	0.4
99.04453	0.5
109.02849	2.2
109.06503	0.7
110.06038	0.5
111.00809	1.4
111.04474	0.7
111.08098	0.4
111.09232	0.4
113.89584	0.3
115.09447	0.4
118.63284	0.3
121.87659	0.4
123.04425	51.3
123.08015	0.7
123.11732	0.4
124.04739	0.9
126.03150	1.4
127.03919	12.6
133.02834	0.9
141.05466	3.9
141.06973	0.7
151.03897	65.8
151.11172	0.4
152.04178	1.8
169.04958	100.0
170.05287	3.6
170.09668	0.4
189.00461	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.5
55.01883	1.3
55.05498	1.8
57.07075	1.2
58.06579	1.0
58.99854	1.7
59.06127	1.4
60.04472	0.7
65.03934	1.9
67.05487	1.6
68.05029	1.7
68.99777	1.4
69.04543	4.6
70.06585	1.6
70.13782	3.8
72.04498	0.8
72.08148	1.5
77.00887	1.3
79.05466	0.9
81.03415	3.0
81.04519	0.9
81.07038	1.7
82.01446	1.0
82.06579	1.4
83.06112	1.5
84.08134	3.5
86.00934	3.1
92.05017	1.0
93.05793	1.2
94.06609	0.7
95.04974	2.0
95.06090	1.2
95.08615	1.7
96.08129	0.9
98.03680	0.8
98.07175	1.0
99.04421	1.0
100.02478	5.9
101.00885	7.6
101.02502	0.9
102.02212	0.8
102.04073	4.3
103.02450	4.8
103.95606	1.0
104.01955	15.6
105.00381	1.5
105.02123	1.5
109.02904	4.4
109.06472	1.0
109.07629	2.5
109.10159	1.1
110.06058	1.4
110.07194	1.4
111.00784	4.7
111.04433	3.1
111.05540	0.9
111.09182	7.0
113.59322	0.7
118.03512	8.3
119.01919	100.0
120.02043	4.6
120.03207	1.0
120.05071	3.3
121.01664	4.9
121.02466	0.7
121.03492	2.8
122.02038	2.5
122.03008	14.0
123.02108	8.3
123.04411	2.1
123.11736	1.1
124.07617	1.0
126.03135	5.8
126.03991	1.3
127.00928	1.2
127.02696	0.9
127.03503	5.2
128.01930	2.9
129.03989	1.2
131.01903	2.2
133.01666	1.8
133.03593	1.0
136.04530	4.1
137.02959	62.2
138.03056	3.4
138.06676	0.7
139.02689	2.2
140.03018	1.0
141.03079	5.5
141.05447	13.6
142.03490	15.3
143.03659	1.1
144.03256	2.1
144.05063	20.2
145.03465	12.3
145.04602	14.5
145.08238	2.1
146.01196	1.3
146.02898	31.0
146.06650	2.5
147.01375	2.6
147.03134	2.5
147.05074	4.1
148.01450	1.4
150.06094	1.7
151.03816	1.6
151.08688	1.1
152.11662	0.9
154.02560	1.3
159.03188	0.9
159.06190	1.6
160.04546	6.6
162.04265	0.9
162.06152	7.6
163.04489	3.5
163.05656	1.7
163.97726	1.4
164.03937	12.6
164.05901	0.8
164.07697	3.2
165.06134	3.5
167.06677	2.4
168.06190	0.9
169.03313	1.8
169.04640	14.3
169.08517	1.7
169.10965	0.9
170.03114	1.8
170.04588	0.8
170.06638	1.8
170.09608	2.3
171.05150	0.9
177.00998	2.4
181.98709	1.1
187.02843	1.7
187.05685	15.9
187.08054	4.9
188.04108	1.4
188.05957	1.2
188.07613	3.5
189.06166	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.01874	1.1
55.05509	5.1
56.05029	1.1
57.07075	2.7
59.04990	0.7
60.04506	1.1
65.03932	2.6
67.04239	1.0
67.05504	25.0
68.05013	2.3
69.07074	8.7
70.06573	1.0
70.29829	0.6
71.02576	1.5
71.04989	4.6
73.06557	0.8
79.05503	3.1
80.05022	6.5
81.03431	1.1
81.05788	0.7
81.07048	2.2
82.04178	1.3
82.06579	30.1
83.05000	0.7
83.06930	0.8
84.04516	3.0
85.06557	3.1
87.08111	2.1
91.05472	3.5
93.05797	1.3
93.07033	2.7
94.06566	49.6
95.04967	2.0
95.07370	1.0
95.08607	6.9
96.08128	3.6
97.06552	3.0
98.06068	1.1
99.06830	5.1
99.08122	1.7
106.06551	2.6
107.07339	9.8
108.08122	8.7
109.02882	0.6
109.06460	0.7
109.10127	1.1
110.06001	1.1
111.09191	0.7
112.07610	1.8
117.06942	1.0
119.08590	5.1
120.08112	1.5
121.08900	4.4
123.08068	1.9
124.07590	0.9
126.03162	0.8
126.09126	0.8
136.11214	100.0
137.11584	2.4
138.09171	0.8
138.12776	44.9
139.13123	1.0
141.05507	1.3
151.11198	0.7
153.11497	1.1
159.84898	0.6
168.13838	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	168.1385
Annotation	Kinabalurine C
Peak:m/z	Relative Intensity
53.03933	1.3
55.01861	1.8
55.05508	5.3
56.05011	1.0
56.96558	1.2
57.03426	0.6
57.07084	2.9
59.65613	0.5
60.04522	1.3
60.20429	0.4
60.52626	0.5
61.67190	0.5
65.03942	2.6
67.04250	1.1
67.05503	26.3
68.05020	2.2
69.03430	1.4
69.07064	8.2
70.06580	1.2
71.04984	6.0
71.17080	1.1
73.06553	0.8
79.05486	4.3
80.05023	6.8
81.03413	1.5
81.05354	0.6
81.05804	1.1
81.07065	2.8
82.04198	2.3
82.06582	32.6
82.94841	0.5
83.03732	0.5
83.04970	0.8
84.04506	2.8
84.08206	0.5
85.02921	0.6
85.06545	3.4
87.08088	3.4
91.05477	4.5
93.05788	1.3
93.07044	2.6
94.06567	49.5
95.04964	2.4
95.06858	0.8
95.07403	1.1
95.08608	5.9
96.04488	0.6
96.08135	4.5
97.06527	3.1
98.06046	1.3
98.07313	0.5
98.97563	0.7
99.06828	4.0
99.08092	1.8
104.69071	0.6
106.06551	2.3
107.07347	11.2
108.08124	9.6
109.02882	1.2
109.06526	0.6
109.07641	1.2
109.10154	1.5
110.06042	2.0
110.09692	0.7
112.07604	3.1
117.07013	1.2
119.08591	3.5
119.41376	0.6
120.08082	1.1
121.06532	0.5
121.08887	4.7
122.09624	0.6
123.04395	0.8
123.08089	1.0
124.07581	1.1
124.11229	0.8
126.09135	0.7
127.11170	0.8
134.09636	0.9
135.69963	0.5
136.11217	100.0
137.11531	2.7
138.09171	0.9
138.12778	45.8
139.13092	1.3
140.07037	1.0
141.05443	1.3
143.76501	0.5
151.07487	0.6
151.08691	0.5
151.11180	1.4
153.11565	1.0
163.02675	0.7
168.06500	0.8
168.11513	0.7
168.13846	17.8
168.15230	1.1
169.01430	0.6
169.04921	0.8
169.14182	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1019
Annotation	Norpandamarilactonine A
Peak:m/z	Relative Intensity
53.03976	1.2
54.03504	0.8
55.01873	9.4
55.05507	3.6
56.05030	4.2
56.05854	0.6
56.94317	0.8
56.96566	3.8
57.03460	2.4
57.07101	1.3
58.06628	2.4
59.06152	2.0
60.04549	1.0
65.03964	2.8
67.05504	7.3
67.92515	4.2
68.05025	7.4
68.99802	1.1
69.03465	2.6
69.07066	11.8
69.07394	0.9
69.29960	7.0
70.06593	5.5
71.05014	1.8
72.04533	1.6
72.08170	1.5
72.93811	1.8
74.06094	1.8
75.04506	0.9
78.04706	0.6
79.05464	3.4
80.05028	3.3
81.03422	5.0
81.04560	1.5
81.05822	1.0
81.07056	5.1
82.02971	0.8
82.06574	8.7
82.07384	0.7
82.94872	2.7
83.04993	1.7
83.06104	3.3
83.06937	0.8
83.07388	1.9
83.08659	0.9
84.04498	7.0
84.08138	3.9
85.02927	1.9
85.06559	0.7
85.07684	1.4
85.93551	0.9
85.94608	0.7
86.06104	2.4
86.08448	0.7
90.29299	0.5
91.05511	1.9
92.05828	0.6
92.12232	0.6
93.05812	0.9
93.07069	1.5
94.06567	7.3
94.07167	0.7
94.07401	0.8
95.01368	1.2
95.04980	4.5
95.06064	3.1
95.08611	3.1
96.04520	1.8
96.08122	10.9
97.02889	1.2
97.06500	1.8
97.07658	5.1
97.08945	0.9
98.03722	0.8
98.06084	2.0
98.09698	6.4
98.97607	0.7
99.04487	1.4
99.05623	1.0
100.95888	0.7
102.94898	1.6
105.03447	0.8
105.07037	2.2
107.06110	1.2
107.07353	1.6
107.08623	1.0
108.04504	1.7
108.08144	3.8
108.08834	0.9
109.02869	7.7
109.06521	2.6
109.07635	10.3
109.08321	0.9
110.06047	4.2
110.07251	0.9
110.08492	1.4
110.09664	0.7
111.00813	3.5
111.04433	3.4
111.05598	1.3
111.06828	2.2
111.08095	3.1
111.09220	4.8
112.07606	15.1
112.08343	1.0
112.11274	1.6
113.02365	1.5
116.98636	1.3
119.01939	0.8
121.07683	1.1
122.03195	0.9
122.06045	3.5
122.06994	0.8
122.09673	13.0
122.10454	0.9
123.04430	4.6
123.05542	1.3
123.08077	2.3
123.09210	2.4
123.11736	1.0
124.04801	1.9
124.07595	2.0
124.08691	1.5
125.06043	0.9
125.07124	2.3
125.08374	1.6
126.03130	5.6
126.05514	2.0
126.06590	0.8
126.09159	6.2
126.10180	1.4
126.93779	1.1
127.03891	1.5
127.05104	0.8
127.08691	1.7
128.09438	0.9
133.02850	2.1
134.99681	2.1
136.11191	0.8
137.05983	2.4
138.06659	1.1
138.10298	1.1
139.03929	0.9
139.08690	1.0
140.03398	0.8
140.07053	2.8
140.10699	100.0
141.05460	13.8
141.11043	2.6
144.95863	2.8
147.75616	0.6
150.05525	3.2
150.06557	0.8
150.09154	14.3
150.10280	1.1
151.03966	3.2
151.07555	1.2
151.08658	2.4
154.02541	0.8
161.12184	0.7
162.97014	2.9
162.99126	1.1
168.03831	0.7
168.06352	2.1
168.07445	4.9
168.10170	44.2
168.11333	5.3
168.15009	0.9
168.17479	3.1
169.01357	3.9
169.03709	0.6
169.04945	3.9
169.09648	1.3
169.12061	0.7
177.00755	1.1
181.98759	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.01858	3.8
55.05526	1.1
56.05032	1.8
56.96554	6.6
57.03438	6.8
58.99869	7.5
59.99927	1.7
61.02908	3.2
61.12382	1.3
65.03947	2.5
65.88507	1.2
67.05491	3.8
67.92507	5.8
68.05035	1.2
69.03429	9.5
69.07064	6.1
70.06589	4.5
70.50424	4.7
71.01346	2.3
71.04996	3.3
72.08162	2.0
73.02917	8.5
74.02428	2.8
74.06089	1.3
77.00900	18.4
78.00979	2.4
79.05453	1.3
81.03429	11.5
82.01443	3.9
82.06583	2.6
82.94853	8.5
83.04996	2.5
84.04516	2.0
84.08115	1.3
85.02909	8.2
86.03690	1.6
91.02388	1.3
93.01944	1.1
94.02700	1.7
94.06576	3.7
95.01958	11.1
95.04962	2.9
95.06068	2.3
95.69235	1.3
96.02418	1.9
96.04475	3.1
97.02857	6.1
98.03604	2.3
98.06020	1.7
99.04459	2.8
100.02483	72.4
100.95876	1.7
101.00890	9.2
101.02570	2.6
101.03443	2.2
102.00937	1.2
102.02354	3.4
103.00636	1.3
103.02422	5.9
103.03088	1.7
105.00349	3.8
108.04488	2.6
109.02860	10.7
111.00793	3.5
111.02952	3.1
111.04424	2.9
112.06148	1.8
112.07619	1.7
113.00839	3.0
115.01222	1.7
115.02467	13.1
115.03190	1.9
117.02168	4.6
117.03991	2.0
117.04775	1.4
118.01134	3.7
118.03527	70.7
119.01920	83.7
119.03671	5.7
120.01997	10.9
120.03371	1.7
120.08126	5.7
121.01649	15.3
121.03496	4.3
122.02120	1.8
122.06020	4.5
122.08782	2.6
122.09647	1.6
123.01448	2.1
123.03156	1.9
123.04289	6.2
123.97428	4.1
124.03967	3.2
126.03148	4.9
126.05498	5.1
126.93790	3.6
126.98802	1.8
127.02402	7.5
127.03863	3.0
129.03957	2.4
131.01910	47.6
132.01953	13.8
132.05084	2.3
132.53453	1.6
133.01636	6.0
133.02567	1.5
133.03545	21.6
134.03574	2.5
135.03195	6.5
135.04982	1.7
136.11215	2.2
137.02969	40.3
137.04776	2.0
138.03026	4.0
138.04039	2.0
138.05466	1.3
139.02649	8.1
140.00432	1.3
140.03279	1.8
140.05713	6.4
140.07028	3.1
141.05453	13.2
142.03500	8.7
143.01913	2.9
144.03291	2.9
144.05104	2.3
144.94814	2.9
144.95857	1.8
144.99825	55.1
145.01634	2.6
145.03473	100.0
145.99933	2.7
146.01152	1.3
146.03580	5.0
147.01410	2.1
147.05016	2.9
149.02960	13.1
150.03081	5.2
150.05455	2.8
151.02660	3.0
151.04553	2.6
152.07033	1.8
154.01068	2.3
154.03468	3.9
155.01917	2.8
156.05032	2.9
157.03458	4.9
158.03656	1.5
159.05035	2.6
160.04539	2.9
161.02895	5.8
162.03058	1.4
162.06128	4.2
162.95840	7.1
163.00890	53.6
163.02747	6.8
163.04530	34.2
164.01031	3.9
164.04662	1.6
168.01416	17.5
168.02852	3.7
168.05083	27.9
168.06442	23.4
168.10149	3.5
168.11380	2.9
169.03543	2.0
169.04988	5.6
169.08632	1.5
172.02197	4.1
173.02965	6.0
175.04509	3.5
181.01923	8.3
181.03616	2.7
185.02835	1.9
185.97433	2.7
186.02461	10.8
186.04485	2.0
186.06067	9.6
187.02913	1.5
187.04556	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	168.018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
55.01878	1.6
55.05515	1.3
56.05032	1.9
56.94305	1.0
56.96564	78.7
57.03434	0.9
58.04066	0.8
60.95881	0.6
61.02925	1.2
65.03951	1.5
67.01830	0.6
67.05501	4.2
67.48374	0.5
67.92507	14.5
68.05021	1.8
68.99789	0.8
69.03425	2.0
69.06700	0.4
69.07059	10.8
70.02972	0.9
70.06586	3.6
70.95853	1.2
70.98122	2.2
71.01356	2.1
71.04991	0.8
71.27597	1.2
72.04520	0.7
72.93793	1.5
72.99453	0.7
73.02921	0.8
74.97607	6.1
75.93528	0.5
76.05119	1.7
79.05482	3.1
80.05027	2.5
80.05813	0.8
81.03426	5.8
81.04529	1.2
81.07045	0.8
81.99992	5.7
82.06569	3.4
82.94841	21.1
83.00799	0.7
83.01302	0.5
83.04987	1.3
83.06088	1.3
84.04502	1.7
84.08116	1.2
84.96026	2.3
85.02901	3.6
85.93557	3.1
86.06041	0.9
87.04456	0.9
88.99181	2.2
90.34530	0.6
90.94863	0.7
91.00516	41.6
91.05499	0.9
91.50678	0.9
92.98650	0.7
93.99989	1.6
94.04170	0.8
94.06572	6.4
95.00760	0.6
95.04961	4.2
95.06090	1.1
95.08620	0.9
96.04485	1.2
96.08108	1.1
97.02876	1.9
97.06516	0.9
97.07655	1.5
98.01268	1.0
98.06054	1.7
98.97578	1.1
99.00763	0.6
99.04446	1.0
99.58500	0.6
100.01032	25.7
100.02451	1.2
100.51218	1.1
100.95868	4.4
100.99152	3.7
102.51300	3.1
102.94839	0.7
103.00471	6.7
103.02374	0.6
104.01238	0.6
104.05020	0.8
105.03407	1.4
107.00201	1.7
107.04947	1.3
108.04466	2.1
108.05209	0.7
108.08140	0.7
109.02881	9.8
109.07641	4.0
110.06002	1.3
110.97563	1.5
111.00821	0.8
111.04439	2.1
111.06857	0.7
111.09209	1.1
111.51826	1.8
112.01016	52.8
112.04729	0.8
112.06207	0.9
112.07607	2.5
112.51176	2.2
113.02392	6.4
114.02604	0.8
114.51270	0.8
116.00275	0.7
116.98616	1.1
117.00246	1.1
118.03517	0.9
119.00209	5.6
119.01895	1.7
120.08111	1.4
120.66356	0.6
121.01540	100.0
121.51710	4.2
122.06036	5.4
122.06823	1.0
122.09647	1.0
123.04436	6.9
123.05389	0.8
123.08053	0.6
123.09155	1.3
123.51811	7.0
123.97450	11.9
124.03906	0.7
124.07597	1.2
125.02386	0.6
126.00731	5.6
126.03104	2.1
126.05532	3.2
126.93758	7.8
127.03926	3.1
127.08698	0.8
128.02293	1.0
128.98615	4.2
130.02023	2.5
130.96550	1.1
131.01886	0.8
132.52328	9.1
133.01695	1.4
133.02818	8.0
134.02332	0.7
134.99660	0.9
136.04808	0.6
136.11200	6.4
137.01199	1.6
138.12781	2.5
139.02837	0.8
139.03857	3.9
140.03383	2.1
140.05734	1.0
140.07039	5.4
141.05476	5.5
144.03136	0.7
144.05147	0.6
144.94795	5.8
144.95827	2.6
144.98067	7.9
144.99808	0.7
145.03499	3.5
146.99637	5.0
147.01277	3.0
147.03250	1.1
148.97560	2.8
150.05449	3.3
150.09163	1.2
150.10258	1.0
151.03860	3.2
151.08621	1.8
152.07016	0.7
156.03300	1.0
161.01172	1.6
162.95822	16.6
162.96922	2.4
162.99126	22.0
163.02776	1.2
163.04457	2.9
165.00667	1.2
166.98631	1.8
167.96413	1.9
168.02818	1.3
168.05151	1.5
168.06496	17.6
168.10068	0.6
168.11322	4.3
168.13693	0.9
169.01312	1.4
169.04909	2.2
170.01244	0.5
174.03043	0.7
174.04379	5.9
181.00197	14.1
185.97340	2.5
186.00697	1.0
186.04344	0.6
189.00673	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.143
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
51.71793	0.7
53.00303	0.9
53.03947	3.4
54.53147	0.6
55.01875	5.4
55.05511	87.1
56.05040	1.2
56.05838	1.6
57.03428	2.6
57.07079	4.2
59.04997	8.6
59.06121	0.9
65.03934	1.8
65.86040	0.6
66.04716	0.7
67.05502	15.7
68.05041	0.7
69.03430	24.4
69.07070	14.2
69.43169	6.1
71.04995	2.5
73.06545	1.0
78.04703	6.4
79.05486	13.9
81.03416	1.0
81.07054	15.3
82.06589	2.3
83.04981	100.0
83.08617	35.4
83.09118	1.6
84.05328	2.0
84.08190	0.8
84.08933	1.1
85.06542	8.5
91.05492	6.8
93.07047	12.9
94.04180	0.7
94.06535	0.8
94.07379	0.7
95.04964	5.1
95.08602	7.0
97.02907	0.8
97.06535	5.3
97.10157	8.6
99.08090	1.1
105.03388	0.8
105.04504	0.8
105.07032	4.2
106.04180	3.1
107.04973	4.3
107.08595	19.2
108.08897	0.7
109.02911	1.9
109.06493	2.6
109.07655	3.1
109.10157	15.0
110.06049	0.7
110.08403	1.2
111.04441	2.9
111.08080	21.0
111.09228	1.9
112.08866	5.5
113.06001	1.5
113.09655	3.1
119.08559	0.9
121.01701	2.5
121.02863	1.1
121.06508	1.8
121.10133	15.3
122.07185	1.4
123.04436	12.5
123.08089	1.9
123.11696	6.8
124.05235	5.1
124.08704	0.9
125.05988	2.5
125.09633	14.3
125.13263	0.7
126.05514	0.8
131.08517	1.2
135.04395	1.0
138.03128	1.1
139.03856	1.7
139.07539	0.8
139.11176	1.4
144.03246	1.1
149.02338	1.8
149.05966	1.5
149.09589	2.4
149.13263	4.1
150.10255	2.6
151.03911	2.6
152.04674	3.7
167.03349	1.3
167.07040	37.1
167.10672	2.4
167.13007	1.1
167.14299	24.1
168.07465	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09183	0.9
53.03945	5.5
55.01864	3.6
55.05510	78.5
55.56774	0.7
56.05025	1.0
56.05835	1.4
56.96553	2.4
57.03422	2.6
57.07067	3.2
59.04999	8.4
59.06125	1.7
61.00241	0.8
65.03928	3.4
66.04709	1.6
67.05502	16.7
67.33936	0.8
68.05023	2.1
69.03080	1.5
69.03427	21.1
69.06786	0.8
69.07068	10.1
70.06583	2.5
71.04979	2.7
71.13298	1.3
72.08142	1.0
78.04713	21.9
79.05062	1.6
79.05489	18.3
80.05007	1.2
81.03406	2.7
81.04523	1.1
81.07056	14.7
82.06567	3.7
83.04980	81.9
83.06045	2.6
83.08617	31.2
83.09116	1.5
83.21284	0.9
84.05283	1.7
84.08126	0.9
84.60506	0.8
85.06539	5.8
85.07653	1.3
91.05470	7.8
92.05798	0.8
93.03390	2.4
93.07044	14.7
94.04198	2.0
94.06561	1.5
95.04962	8.5
95.08604	7.2
95.65454	0.8
96.04505	0.8
96.05759	1.8
96.08888	0.9
97.02873	1.3
97.06534	4.6
97.07658	1.4
97.10161	7.3
98.06026	1.1
98.97556	2.4
99.08064	1.2
105.03365	2.1
105.07040	5.1
106.04169	6.9
107.04944	6.8
107.08594	26.3
108.04458	1.0
109.02871	3.7
109.06502	5.3
109.07633	6.5
109.10148	11.8
110.06077	1.4
110.07125	1.0
110.08447	3.0
111.04427	4.6
111.08073	20.5
111.09217	3.0
112.08884	6.4
113.09682	1.4
116.98589	1.8
121.01677	2.9
121.02845	3.4
121.06506	4.7
121.07604	0.8
121.08456	1.0
121.10136	17.1
122.03687	1.6
122.07161	2.8
122.10436	1.1
123.04428	36.2
123.08036	2.0
123.11700	5.7
124.05243	10.1
124.08684	2.1
125.05946	1.5
125.08205	1.4
125.09625	10.9
126.89777	0.8
131.08574	1.5
134.03615	2.6
134.99678	2.1
135.04414	1.8
137.02209	1.0
137.05984	2.0
138.03113	1.2
139.02715	2.1
139.03859	1.5
139.07510	2.0
140.07001	1.4
144.03221	1.7
149.02345	3.3
149.07091	0.9
149.09604	3.5
149.13243	3.6
150.05479	2.1
150.06631	1.3
150.10269	5.4
151.03912	7.0
152.04701	6.4
157.04991	1.2
162.04341	1.2
162.96971	1.0
167.03410	5.8
167.07037	100.0
167.10649	4.0
167.13014	1.4
167.14305	18.8
168.04222	1.1
168.07562	5.5
168.11301	1.0
189.74579	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0703
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.34048	0.5
52.53577	0.6
53.03939	3.3
55.01865	2.8
55.05510	22.3
56.05033	1.1
56.96555	2.4
57.03433	1.5
57.07066	1.3
58.18020	0.6
59.05003	3.0
59.06112	1.7
62.28225	0.6
65.03935	6.7
66.03476	0.8
66.04713	1.5
67.05173	0.7
67.05505	11.2
68.05014	2.8
68.99784	1.0
69.03430	7.3
69.06726	0.9
69.07064	11.3
70.06577	2.3
70.72530	0.7
70.72869	1.4
70.95895	0.6
71.01344	1.6
71.04989	2.3
71.06078	0.7
72.08132	0.9
72.93768	0.8
73.02920	0.7
77.03938	0.8
77.92670	0.6
78.04707	19.7
79.05488	21.5
80.04998	1.6
81.01173	0.6
81.03429	4.1
81.04517	2.0
81.07050	13.5
82.06577	3.3
83.04980	20.9
83.06096	2.1
83.08623	6.8
84.08125	1.8
85.02905	1.2
85.06538	2.7
85.07640	0.9
91.05472	12.9
93.03381	2.0
93.07038	22.4
94.04173	2.1
94.06567	2.3
95.04977	9.4
95.06091	1.1
95.08605	5.4
96.02080	1.1
96.05750	1.2
96.08097	0.6
97.02882	1.2
97.06506	5.8
97.07637	2.1
97.10176	2.0
98.06026	0.8
98.07200	1.1
98.97569	1.1
99.04455	0.7
99.05600	0.8
103.05450	0.7
105.03371	2.2
105.04509	0.8
105.07031	10.7
106.04183	6.0
107.04957	10.1
107.08588	44.6
108.04501	0.8
108.05708	0.8
108.08934	1.3
109.02877	4.3
109.06515	8.3
109.07639	8.8
109.10164	4.3
110.06051	0.8
110.07155	1.7
110.08428	3.7
111.04446	7.6
111.08065	8.5
111.09195	2.9
112.08807	1.4
116.98647	0.9
119.06033	0.9
119.08527	1.1
121.01640	2.9
121.02875	9.2
121.06500	11.6
121.07607	1.1
121.08442	0.9
121.10138	27.1
122.03639	1.7
122.06062	1.4
122.07127	3.0
122.10497	0.6
123.04425	34.7
123.08052	4.6
123.09197	1.3
123.11713	5.7
124.01580	0.6
124.05229	13.2
124.07588	0.8
124.08666	2.5
125.02421	0.8
125.05984	4.0
125.08210	1.4
125.09631	6.0
126.05598	0.8
126.06602	1.1
127.07448	1.5
131.08534	1.8
133.07562	0.7
134.03639	1.7
134.99709	1.2
135.04408	2.2
137.02327	0.7
137.05966	1.8
138.03088	1.0
139.02847	1.1
139.03893	5.8
139.07527	3.8
139.11182	2.9
140.07056	0.9
140.08098	0.6
143.96669	0.9
144.03224	1.7
144.95815	0.7
149.02332	6.6
149.05966	4.1
149.07053	1.0
149.08369	0.8
149.09627	7.8
149.13258	2.1
150.05489	2.4
150.06558	0.9
150.09175	0.9
150.10262	8.9
151.03899	8.1
152.01129	1.0
152.04686	7.3
153.05315	0.7
157.04951	4.5
162.04257	0.6
162.96883	1.8
167.03392	14.8
167.07030	100.0
167.10623	6.0
167.12885	1.9
167.14313	6.1
168.03992	1.0
168.07468	3.5
168.11298	1.5
173.33784	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0703
Annotation	Ethylparaben
Peak:m/z	Relative Intensity
51.02374	0.6
52.20601	0.5
53.03933	2.0
55.01855	2.3
55.05512	5.0
55.73227	0.7
56.96559	0.8
57.03430	0.5
65.03934	3.9
66.04706	1.5
67.05514	3.1
68.05029	0.6
68.24242	0.5
68.99787	1.2
69.03412	1.7
69.07053	2.6
69.97432	3.3
71.04991	1.3
73.02919	5.0
78.04269	1.1
78.04713	19.6
79.05067	0.9
79.05488	8.8
81.03407	2.3
81.04541	0.7
81.07038	2.9
82.06568	1.2
83.04977	2.8
83.08627	0.8
84.08160	0.8
91.05495	3.5
92.04882	0.5
93.03381	1.0
93.07046	5.5
94.04167	1.9
94.06543	0.7
95.04964	7.1
95.08588	1.6
96.05747	1.4
97.06512	2.2
97.07648	0.8
97.10163	1.3
103.05479	0.8
105.03402	1.5
105.04517	0.6
105.07024	1.5
106.04168	6.7
107.04976	3.5
107.08590	8.8
109.02850	1.9
109.06511	3.0
109.07641	2.8
110.03660	0.9
110.08442	1.4
111.04427	3.4
111.08060	1.1
111.09204	1.6
112.73463	0.5
113.05989	1.0
119.04905	2.6
121.02867	69.1
121.06497	5.9
121.10110	3.5
122.03651	1.8
122.07113	1.0
123.04427	33.5
123.08076	1.6
123.09191	0.8
124.05227	8.8
124.08707	1.1
124.18102	0.5
125.05965	0.7
125.09602	2.0
131.08537	1.2
134.03624	1.6
135.04442	1.3
137.02328	0.8
137.05971	1.3
138.03088	0.9
139.03856	0.9
139.07518	1.3
139.11198	0.7
149.02342	1.6
149.05975	10.4
149.09576	2.1
150.10225	2.8
151.03915	6.7
152.04686	7.8
157.04987	0.9
161.16383	0.6
165.33337	0.5
167.03409	3.8
167.07036	100.0
167.10696	1.7
168.07426	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	167.0703
Annotation	Ethylparaben
Peak:m/z	Relative Intensity
53.03942	0.8
54.03466	0.3
55.01872	1.8
55.05510	1.8
56.05032	1.6
56.96562	1.4
57.03433	0.7
58.06593	0.6
59.06128	1.1
59.66607	0.3
60.04496	0.3
65.03941	3.8
66.04686	0.7
67.05499	2.0
68.05020	2.2
68.99786	0.6
69.03418	0.6
69.04551	0.7
69.07075	1.7
69.69196	0.3
70.06588	2.0
71.01375	0.4
71.04990	0.5
71.07376	0.4
71.57758	0.5
72.08157	0.7
73.02912	6.8
78.04715	4.8
79.05489	5.0
80.05009	0.7
81.03425	1.0
81.04539	1.3
81.07047	1.7
82.06576	2.7
83.04978	2.0
83.06114	1.8
84.04540	0.6
84.08143	1.1
85.07674	1.0
91.05479	2.7
93.03397	1.0
93.07035	4.0
94.04197	0.8
94.06569	1.1
95.04973	4.1
95.06078	1.3
95.08610	1.4
96.05744	0.5
97.02889	0.5
97.06521	1.3
97.07643	1.3
98.06056	0.4
98.07188	0.7
99.05567	0.4
102.94872	0.5
103.05472	1.3
104.05788	1.1
105.03394	0.6
105.04508	0.7
105.07029	1.3
106.04166	1.8
107.04960	2.7
107.06078	0.6
107.08616	2.9
108.05716	0.3
108.06877	0.4
108.08193	0.3
109.02884	1.5
109.06492	1.4
109.07642	6.7
109.10204	0.5
110.06035	0.5
110.07214	1.5
110.08429	3.3
111.04439	5.6
111.08057	0.8
111.09208	3.2
112.04828	0.3
112.07580	0.4
114.05515	0.3
118.03468	0.3
119.04942	3.4
120.08105	1.6
121.02865	100.0
121.06499	5.9
121.07664	0.8
121.08434	10.5
121.10117	2.0
122.03123	2.6
122.06051	0.6
122.07126	1.8
123.04427	9.3
123.05371	0.4
123.08072	1.3
123.09117	1.5
124.05224	4.0
124.08723	1.5
125.05975	1.0
125.07113	0.6
125.08244	0.8
125.09597	1.3
126.05550	0.4
126.06542	0.7
126.10243	0.5
127.07384	0.8
127.11113	0.3
129.28775	0.3
131.08572	0.9
134.03690	0.4
135.04404	1.2
137.05957	1.2
138.03107	0.4
138.10271	0.3
139.02705	2.3
139.03880	4.5
139.07524	2.0
139.08453	0.4
139.11113	0.5
140.03310	0.3
143.03552	0.3
143.96692	0.6
144.03215	1.8
144.08345	0.3
149.02338	3.7
149.05980	17.9
149.09602	1.4
150.06493	1.1
150.10251	6.1
151.03905	1.8
151.08696	0.3
152.04738	1.4
162.04289	0.8
162.96989	0.4
167.03397	3.1
167.07031	28.2
167.09311	1.2
167.10620	2.5
167.12924	2.4
167.14236	0.6
168.04274	0.7
168.06384	0.8
168.07593	0.8
168.11307	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02370	0.4
52.03137	0.3
53.00285	0.4
53.03943	2.5
54.53595	0.3
55.01854	1.6
55.05511	5.1
56.96569	0.6
57.03425	1.2
57.07058	1.3
59.04991	0.6
65.03941	3.7
66.04732	1.9
67.05173	0.4
67.05502	6.1
68.99788	0.8
69.03429	2.0
69.07063	8.8
70.06565	0.4
70.75446	1.3
71.01305	0.5
71.04975	1.4
77.03917	0.5
78.04707	20.7
79.05486	15.2
79.24959	0.3
80.05016	0.4
80.05837	0.6
81.03408	1.6
81.04554	0.6
81.06580	0.6
81.07048	9.7
83.04980	3.8
83.06081	0.7
83.08614	2.8
85.02893	0.6
85.06532	0.8
86.21693	0.3
91.05467	5.4
93.03384	2.3
93.06471	0.7
93.07040	12.6
94.04182	2.5
95.04962	7.1
95.08600	8.1
96.05756	1.7
97.02914	0.6
97.06531	5.7
97.10174	0.7
99.04447	0.6
99.07973	0.4
105.03402	1.8
105.04529	1.0
105.07033	2.4
106.04173	6.9
107.04954	8.8
107.08590	10.0
109.02866	3.6
109.06518	3.1
109.07629	0.7
109.10157	2.4
110.07158	0.5
110.08421	0.6
111.04431	2.9
111.08066	2.9
119.08511	0.5
121.01651	2.8
121.02884	1.8
121.06504	4.6
121.08395	0.6
121.10138	9.4
122.03629	2.6
122.06116	0.4
122.07135	1.2
123.04422	37.3
123.08051	1.5
123.11665	2.9
124.05225	14.5
124.08743	0.4
125.06075	1.7
125.09630	1.6
126.05517	0.4
131.08572	1.7
134.03654	2.0
135.04408	1.6
137.02313	0.7
137.05975	3.1
138.03062	0.8
139.02707	1.4
139.03889	2.6
139.07555	4.9
139.11133	0.5
140.03372	0.4
144.03226	1.6
149.02348	2.8
149.05943	0.8
149.09610	2.4
149.13261	2.6
150.05479	0.4
150.10240	1.2
151.03894	7.3
152.04686	7.8
152.05997	0.8
162.04338	0.5
167.03371	2.5
167.07028	100.0
167.10625	5.2
167.14282	4.3
168.04181	0.9
168.07422	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	167.07
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
53.03937	2.1
55.01857	1.4
55.05493	1.5
56.05026	0.7
56.96544	0.8
59.06112	0.5
64.03144	0.6
65.03665	0.5
65.03947	6.4
66.04717	1.2
67.05509	3.4
68.05016	0.8
69.03412	0.8
69.07042	1.8
70.06580	1.1
71.01331	0.9
71.03401	1.0
71.03719	0.7
71.04981	0.9
77.03918	0.6
78.04713	23.3
79.05494	8.8
81.03408	2.1
81.07048	2.3
82.06581	1.3
83.04961	1.9
83.06093	0.7
83.08625	1.0
84.08144	1.5
85.02907	0.6
91.05491	2.4
93.03415	3.2
93.07036	3.8
94.04165	1.6
94.06548	0.6
95.04982	5.3
95.08595	1.4
96.05735	1.0
97.02876	0.5
97.06530	1.3
104.05806	0.6
105.03390	1.3
105.04485	0.8
105.07040	1.0
106.04177	7.0
107.04974	4.6
107.08594	3.8
109.02873	3.1
109.06504	1.7
109.07633	2.1
110.03674	0.9
110.07216	0.8
110.08432	0.9
111.04465	2.5
119.01849	0.6
120.08070	0.7
121.01677	4.0
121.02888	3.7
121.06504	2.1
121.08453	4.9
121.10147	2.3
122.03693	2.6
122.07143	1.4
123.04430	38.5
124.05227	12.0
125.02341	0.7
125.05994	1.5
125.08205	0.6
126.05458	0.6
129.07140	0.5
129.32463	0.5
134.03607	1.7
135.04396	0.8
137.02271	0.7
137.05975	1.4
138.03104	0.9
139.02699	3.0
139.03882	2.1
139.07521	1.3
139.24579	0.5
140.03381	0.5
143.96774	0.8
144.03247	2.2
149.02324	4.2
149.09647	1.1
149.13206	0.9
150.10237	1.5
150.60367	0.5
151.03894	7.7
152.04669	7.3
162.04329	1.4
167.03436	3.8
167.07042	100.0
167.10738	1.9
167.15494	0.6
168.04129	0.8
168.07535	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	167.0703
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02360	0.4
52.03137	0.5
53.03946	1.9
55.01859	1.3
55.05511	3.1
56.05019	0.7
56.96561	2.1
57.03426	0.5
59.04976	0.5
59.06123	0.6
60.96684	0.3
61.02938	0.3
65.03925	1.4
66.04702	1.2
67.05507	2.4
67.57761	0.3
68.02650	0.3
68.05020	1.3
68.99773	0.4
69.03435	1.5
69.07067	10.9
70.02954	0.4
70.06583	2.6
70.82972	0.6
70.83333	0.6
71.04979	0.4
72.08136	0.5
77.03917	0.7
78.04710	19.6
79.05025	0.8
79.05482	5.8
80.05005	0.5
81.03423	2.4
81.04506	0.4
81.07052	2.2
82.06561	1.2
83.04977	2.7
83.06087	1.1
83.08604	1.1
84.08135	0.5
85.02882	0.7
85.06535	0.4
85.07627	0.5
91.05495	2.1
93.03393	1.0
93.07044	2.0
94.02882	0.3
94.04179	1.5
94.06544	0.6
95.04969	4.9
95.06071	0.6
95.08582	0.6
96.05749	1.5
96.06871	0.4
96.08101	0.4
97.02882	0.6
97.06532	1.9
97.07663	0.5
98.07208	0.4
98.97569	1.2
99.04462	0.4
99.08059	0.4
105.03382	1.6
105.04479	0.5
105.07025	0.7
106.04177	6.5
107.04963	4.3
107.06058	0.3
107.08577	1.5
108.05687	0.4
109.02913	2.7
109.06495	1.1
109.07637	3.0
109.10158	0.5
110.03634	0.3
110.06100	0.5
110.08411	1.1
111.04440	2.3
111.08071	1.1
111.09185	1.4
112.07577	2.2
116.98610	0.7
119.01775	0.6
121.01676	2.0
121.02884	2.0
121.06502	2.2
121.07335	0.3
121.07609	0.3
121.10134	1.8
122.03652	1.7
122.06078	0.3
122.07153	0.8
123.04426	33.7
123.09185	0.7
124.05222	10.9
124.08694	0.7
125.06019	0.4
125.08258	0.5
125.09587	0.5
128.02202	0.3
134.03618	2.1
134.99626	0.3
135.04428	1.7
137.02341	1.0
137.05983	1.3
138.03088	0.7
139.02693	1.1
139.03886	1.3
139.07558	1.0
140.07065	3.9
141.05501	0.6
144.03262	0.9
146.67738	0.3
149.02321	1.3
149.05945	1.1
149.09630	0.4
150.05466	0.3
150.09149	0.5
150.10219	2.3
151.02733	0.5
151.03906	6.5
152.04691	6.4
162.04321	0.6
167.03435	3.0
167.07030	100.0
168.04140	0.9
168.07535	3.2
168.11244	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
62.29596	0.1
71.51527	0.2
77.03904	0.2
79.05498	1.2
91.05473	0.8
93.07040	2.5
95.04960	0.3
103.05462	11.2
104.05810	0.2
107.04959	2.6
109.62896	0.1
118.06569	0.1
119.07307	0.1
120.08100	100.0
121.08446	3.6
131.04913	2.2
131.05830	0.2
149.06021	0.4
159.06413	0.1
166.08583	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0862
Annotation	Phenylalanine
Peak:m/z	Relative Intensity
57.32070	0.2
68.04781	0.2
69.63111	0.2
69.66974	1.3
79.05488	0.9
79.48843	0.2
91.05468	0.8
91.44445	0.2
93.07034	1.8
95.04955	0.3
98.20840	0.3
103.05465	9.3
107.04952	2.4
108.86484	0.2
120.08103	100.0
121.08455	2.0
131.04921	2.8
141.44643	0.2
149.05971	0.5
166.08649	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0863
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
53.03925	0.2
53.34891	0.1
54.47577	0.1
54.47879	0.1
56.05017	0.6
56.96556	0.5
57.03436	0.4
58.99834	0.1
61.02919	0.2
65.92635	0.3
68.05059	0.2
69.03418	0.3
69.07063	0.2
70.06586	0.2
71.58821	0.3
73.02905	0.2
74.02439	1.9
75.02713	0.4
77.03944	0.2
79.05486	1.5
80.94938	0.7
81.03436	0.3
91.05472	1.2
92.05822	0.2
93.07036	2.4
95.04958	1.2
96.05291	0.9
98.95961	0.2
100.02480	0.3
100.26630	0.2
101.00866	0.6
102.00980	0.5
102.02248	0.2
102.05535	0.4
103.00613	0.3
103.02462	0.2
103.05465	12.4
104.05827	0.4
107.04950	2.2
108.04524	0.2
108.05286	0.2
110.02380	0.2
115.02472	1.1
117.03992	0.4
118.01151	0.2
118.06516	0.3
119.01924	3.3
120.02007	5.4
120.08100	100.0
121.01652	2.6
121.06527	0.2
121.08433	2.7
121.97558	0.3
123.04433	0.6
124.03943	0.3
124.04752	1.9
124.93912	0.5
125.02592	0.2
131.01909	1.6
131.04924	2.1
133.03484	1.3
135.05139	0.2
137.02951	1.2
138.03046	3.1
139.02663	1.2
142.03505	0.7
142.95016	0.3
142.96701	0.2
143.01891	0.4
143.03606	3.9
144.03236	1.6
145.03456	0.5
148.04860	0.4
149.02797	0.5
149.06007	0.6
153.96957	0.2
157.03467	0.3
160.04587	0.3
160.84013	0.2
160.96004	0.5
161.01201	0.2
161.01788	0.2
161.02972	1.6
161.04704	1.9
161.06007	0.2
161.06609	0.1
162.04337	0.5
166.05104	0.5
166.08592	1.4
167.07092	0.2
170.42024	0.2
173.02979	0.2
179.03990	0.4
184.04591	0.3
187.60010	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1638
Annotation	1-Ethenyl-1-methyl-4-(1-methylethylidene)-cyclohexane
Peak:m/z	Relative Intensity
53.03945	0.6
54.27798	0.3
55.05507	8.4
57.07074	7.1
65.03941	1.3
67.05501	47.7
67.86397	0.3
68.05036	0.4
68.05817	0.9
69.03424	0.5
69.07063	9.9
69.80769	1.5
70.07398	0.4
71.08629	3.6
73.13448	0.3
79.05489	4.2
81.03486	0.4
81.07052	39.9
82.07394	0.9
83.04953	0.4
83.06124	0.5
83.08605	4.2
85.10175	1.3
91.05479	4.4
93.07030	4.3
95.04955	2.4
95.08601	66.0
96.08928	1.7
97.10184	0.6
98.20803	0.3
101.00866	1.1
103.05534	0.4
105.07027	2.8
107.04941	0.6
107.06062	0.5
107.08576	3.9
109.06547	2.2
109.10149	100.0
110.10487	2.6
110.65395	0.3
113.52106	0.3
117.07008	0.5
119.01916	7.9
119.04933	2.4
119.08568	3.1
120.02006	0.7
120.08063	0.9
121.06493	0.7
121.10118	2.3
122.07190	1.3
123.04406	0.9
123.08043	1.9
123.11697	26.6
124.08605	0.5
124.12019	0.8
133.02809	0.8
135.08061	0.7
136.08821	0.6
137.02989	3.3
137.05960	1.7
137.09616	4.4
137.13248	1.8
138.03014	0.5
138.05457	0.5
142.03476	5.0
142.96683	0.5
147.04402	4.6
147.07957	0.4
147.11664	1.5
148.04706	0.4
148.08667	0.8
149.09641	2.0
150.10397	7.0
160.04568	1.8
165.01830	0.4
165.05405	0.9
165.07768	0.5
165.09091	2.9
165.11613	1.2
165.12744	31.4
165.16364	10.3
166.04900	0.3
166.08553	0.6
166.13121	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
50.92132	0.6
53.03940	3.0
55.01864	4.2
55.05510	7.4
56.96564	4.2
57.03432	6.3
57.07065	1.2
60.02997	0.7
65.03938	2.7
67.05499	45.9
68.05851	0.8
69.03423	6.5
69.07063	9.7
69.44649	6.3
71.04995	2.4
77.03887	0.9
79.05486	34.0
80.05839	1.4
81.03419	1.2
81.07050	78.8
82.07386	2.3
83.04975	9.3
83.08607	1.6
83.93038	1.9
85.06535	7.0
91.05475	45.5
92.05795	2.0
93.07037	44.7
94.07362	1.5
95.04963	16.2
95.08600	26.4
96.08905	0.8
97.06529	11.8
99.08076	1.7
101.00871	1.9
103.05496	1.4
105.07024	73.2
106.07361	2.1
107.04929	1.6
107.08588	24.6
109.06510	20.5
109.10153	7.7
110.09681	0.8
111.08071	0.9
115.96392	1.0
117.07008	2.3
119.01918	16.7
119.02715	1.3
119.04930	5.1
119.08570	59.6
119.95100	0.7
120.02042	1.1
120.08134	1.2
120.08934	2.5
121.06430	0.7
121.10133	61.4
122.07272	2.0
122.10477	2.4
123.04420	0.8
123.08068	12.8
123.11687	8.6
124.08642	0.7
127.07561	1.5
137.02975	8.2
137.05998	2.7
137.09613	8.7
137.13210	1.7
138.03047	0.7
142.03493	9.9
142.96687	3.0
143.03622	1.3
143.05392	4.0
145.10130	2.1
147.04396	9.7
147.11673	100.0
148.12019	6.1
152.05975	1.0
160.04538	4.1
161.01268	0.8
165.01842	1.3
165.04271	1.4
165.05455	2.0
165.07803	1.1
165.09079	11.1
165.12740	83.9
166.04951	0.8
166.13110	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	165.1274
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03939	3.9
55.01868	2.5
55.05511	7.6
57.03424	2.9
57.07067	2.8
57.74915	1.0
59.05003	1.1
65.03922	2.8
67.05502	17.9
68.05029	1.1
68.99781	2.2
69.03438	7.3
69.06749	1.1
69.07074	7.8
69.71950	7.1
70.06577	1.1
71.04990	1.7
71.08629	2.0
79.05496	12.4
80.04996	1.7
81.03414	6.7
81.04533	1.6
81.07057	34.5
83.04990	5.2
83.06082	1.5
83.08611	2.4
85.06533	1.0
91.05482	24.5
92.05798	1.3
93.07043	18.5
94.04194	0.9
94.07334	1.2
95.04977	16.6
95.06109	1.1
95.08608	22.3
97.06519	2.0
98.20805	1.3
101.00859	3.1
103.05462	2.1
105.06318	1.3
105.07028	22.0
105.23136	1.0
106.07366	1.0
107.04950	2.9
107.06095	1.9
107.08594	18.4
109.02826	1.5
109.06519	33.2
109.07659	1.4
109.10152	18.6
117.07015	2.7
119.01926	27.4
119.04945	13.7
119.08583	29.0
120.02023	1.6
120.08109	3.7
120.08859	1.1
121.06541	2.2
121.07645	1.4
121.10146	31.7
122.07275	9.9
122.10471	1.1
123.04413	4.5
123.08073	19.4
123.11705	7.5
124.08696	3.3
133.02861	3.0
135.08076	3.0
136.07500	1.2
136.08540	1.0
137.02994	15.7
137.06010	12.0
137.09616	100.0
137.13255	3.9
138.03093	1.8
138.09999	4.3
142.03500	16.4
142.96696	4.1
143.03572	1.4
147.04416	16.1
147.08014	3.2
147.11694	11.9
148.08701	2.2
150.10364	5.5
160.04561	8.0
165.01817	3.3
165.05534	5.9
165.07819	2.0
165.09091	7.9
165.11459	1.8
165.12752	47.5
166.04967	2.2
166.08519	2.2
166.13147	2.0
175.39619	0.9
184.65013	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	Jasmone
Peak:m/z	Relative Intensity
51.87297	1.1
53.03945	7.8
55.01854	2.5
55.05509	8.7
56.05029	2.0
56.96555	2.3
57.03427	2.9
57.07056	5.1
59.04989	1.6
62.20789	1.2
65.03918	2.7
67.05509	24.6
68.05028	2.8
69.03089	1.5
69.03431	22.0
69.07069	10.8
70.06573	2.4
70.16288	5.0
71.04977	1.7
79.05495	18.2
80.04996	1.9
81.02988	1.6
81.03418	23.4
81.04506	1.2
81.07062	38.5
82.06593	1.3
83.04964	5.0
83.06093	2.2
83.08595	1.9
91.05483	24.6
93.07042	16.2
95.04972	26.5
95.05997	1.7
95.08610	34.8
97.06473	2.2
97.07631	1.6
98.20853	1.4
100.67889	1.1
101.00874	2.7
103.05444	3.3
105.07030	26.8
107.04942	2.8
107.06070	2.7
107.07968	1.5
107.08605	17.7
109.02885	2.4
109.05779	2.3
109.06513	29.6
109.07618	2.4
109.10141	12.3
110.07298	2.2
117.07019	2.0
119.01922	34.0
119.04953	12.2
119.08575	28.2
120.02035	2.6
120.08086	5.5
121.10146	15.1
122.07241	5.5
123.04402	2.3
123.07184	2.3
123.08067	37.4
123.11700	15.0
124.08714	5.4
133.02837	3.9
135.08032	1.8
137.03006	18.1
137.05991	7.3
137.07867	3.5
137.09610	12.4
137.13214	2.7
138.03003	1.5
138.05438	1.5
138.09134	1.2
138.10236	1.7
142.03502	20.0
142.96663	3.3
143.03578	1.9
147.03250	1.2
147.04413	23.4
147.08055	3.6
147.11691	20.2
148.04843	1.2
148.08693	3.9
149.06100	1.1
150.10349	1.7
151.06947	1.2
160.04546	10.1
165.01776	3.5
165.05540	5.3
165.07784	2.7
165.09073	8.7
165.11464	5.8
165.12746	100.0
166.04955	1.7
166.08633	3.5
166.13130	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	165.1275
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03929	2.6
55.01856	1.4
55.05510	10.7
56.05023	0.8
57.03440	5.5
57.07074	6.9
59.05006	3.9
65.03944	4.9
67.05505	53.3
68.05006	1.1
68.05814	1.3
69.03428	12.3
69.07066	14.0
69.59565	2.9
69.59974	2.1
71.04990	1.3
79.05493	20.8
79.05949	1.1
80.05833	0.8
81.03403	3.0
81.04534	1.2
81.07059	41.8
83.04994	3.4
83.05408	0.8
83.06085	1.2
83.08618	4.9
84.00679	0.7
85.06528	1.4
91.05483	31.1
92.05773	0.9
93.07044	12.9
94.07375	0.9
95.04969	65.3
95.08607	38.9
95.09093	0.6
95.09239	1.0
96.05303	2.6
96.08903	1.8
97.06509	2.2
103.05460	2.6
104.06276	0.8
105.07035	22.2
106.07301	0.9
107.04968	8.4
107.06073	1.1
107.08597	50.7
108.05738	2.6
108.08926	2.6
109.06521	37.0
109.10148	7.7
110.07284	2.8
117.07017	7.7
119.01921	7.5
119.04954	4.0
119.08582	53.3
120.08163	1.3
120.08931	2.4
121.06496	3.4
121.09337	0.8
121.10146	12.5
122.07246	2.6
123.08072	54.4
123.11707	29.7
124.08473	1.8
124.12080	1.1
129.07001	2.8
132.05708	6.5
136.08835	1.6
137.02933	3.4
137.05978	2.1
137.09624	8.5
137.13287	5.0
141.09093	1.3
142.03516	4.7
147.04439	5.5
147.08049	25.5
147.11697	10.5
148.08580	1.8
148.11996	0.8
150.10403	1.4
160.04541	1.8
161.02913	1.1
165.05472	1.4
165.09137	8.3
165.12755	100.0
166.04918	1.5
166.13089	5.6
170.69136	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03933	2.0
54.51315	0.8
55.01876	5.0
55.05311	0.7
55.05510	8.5
56.96563	6.3
57.03434	6.4
57.07066	2.0
57.94776	0.8
65.03925	2.6
66.02804	0.8
67.05502	50.7
69.03427	6.7
69.07062	9.9
71.04987	2.6
77.03898	0.8
79.05490	39.4
80.05825	1.4
81.03416	1.5
81.07053	86.2
82.07389	3.2
83.04985	10.4
83.08628	1.2
83.93020	1.6
85.06537	6.7
91.05476	51.4
91.71037	0.8
92.05847	1.4
93.07040	43.4
94.07367	1.1
95.04968	17.6
95.08604	27.2
97.06530	12.2
99.08090	1.8
100.55242	0.8
101.00859	2.0
103.05449	2.1
105.07026	76.8
106.07355	3.7
107.04967	1.3
107.08588	27.9
109.02859	0.8
109.06516	19.7
109.10162	8.1
110.09673	1.0
116.97237	1.2
117.07003	2.3
119.01923	16.0
119.04942	6.8
119.08578	59.2
120.02029	1.0
120.08070	1.2
120.08917	2.4
121.10139	58.8
122.07242	2.4
122.10479	3.3
123.08067	12.2
123.11700	9.2
127.07531	1.2
137.03000	9.0
137.06001	2.2
137.09619	10.8
137.13246	2.0
137.98344	1.0
142.03496	11.6
142.96689	3.6
143.03574	0.8
143.05435	2.6
145.10101	1.9
147.04413	10.8
147.11681	100.0
148.11963	4.8
160.04565	3.6
161.01161	1.4
162.94356	0.9
165.01823	1.2
165.04288	1.3
165.05553	2.1
165.07780	1.5
165.09090	11.1
165.12749	84.6
166.08511	0.9
166.13101	3.6
169.80676	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03932	2.9
55.01859	3.4
55.05510	7.9
56.19731	0.9
56.96545	1.8
57.03417	2.7
57.07062	4.2
65.03912	1.8
67.05502	25.7
68.05005	2.0
69.03432	5.9
69.07066	7.4
70.06361	3.8
70.06615	1.2
71.04975	1.7
77.03840	1.1
79.05495	15.9
80.04974	1.2
81.03397	3.1
81.04544	1.4
81.07054	39.6
82.06584	2.0
83.04998	5.5
83.06102	2.4
83.08614	3.4
85.02914	1.5
85.06534	1.5
87.96631	1.0
91.05482	24.5
93.07044	20.8
94.07882	1.4
95.04967	19.4
95.06042	1.0
95.08606	26.6
96.08913	1.4
97.06503	2.1
97.07609	1.6
101.00869	3.1
103.05450	2.8
105.07032	31.5
107.04939	3.7
107.06065	1.3
107.08590	22.8
108.05679	1.2
109.02876	1.1
109.06512	32.4
109.07624	1.5
109.10150	18.7
111.09221	1.6
117.07021	3.1
119.01923	30.4
119.04939	14.0
119.08582	30.9
120.02013	2.3
120.08096	3.9
120.08893	1.9
121.06477	3.3
121.10139	29.7
122.03590	1.3
122.07273	11.4
123.04465	5.0
123.08077	16.8
123.11713	8.7
124.08631	1.5
125.09521	1.2
130.04643	1.5
133.02866	3.8
133.06691	1.5
135.08012	3.2
136.08789	1.2
137.02994	19.1
137.06012	8.2
137.09613	100.0
137.13219	1.8
138.03070	2.3
138.10016	3.0
140.57098	1.4
142.03491	16.5
142.96690	3.8
147.04401	21.2
147.08023	3.9
147.11678	15.7
148.02161	1.7
148.08640	2.7
148.12000	1.3
150.10405	6.0
160.04541	9.2
161.04715	1.2
165.01855	2.6
165.05551	4.8
165.07634	2.9
165.09113	7.2
165.11488	3.2
165.12755	49.2
166.04967	1.7
166.13051	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	165.091
Annotation	4-(4-Methyl-1,3-pentadienyl)-2(5H)-furanone
Peak:m/z	Relative Intensity
51.02375	0.8
53.03942	3.3
55.01868	4.4
55.05501	3.3
56.05036	0.7
56.96556	1.4
58.06588	0.9
65.03932	1.8
67.05504	8.1
67.05840	1.0
68.05016	0.9
69.03435	2.7
69.07058	1.3
69.70861	2.3
69.71272	1.9
70.06596	1.6
71.05002	0.7
77.03931	0.8
77.30325	0.6
79.05492	23.7
80.05016	2.0
80.05816	1.3
81.03412	3.7
81.04541	0.6
81.07053	11.6
82.06577	1.0
83.04982	1.5
83.06085	1.9
83.93040	1.3
91.05480	14.0
91.71380	0.6
92.05795	0.6
93.07039	3.1
94.04183	2.8
95.04964	9.9
95.06068	0.9
95.08612	7.7
97.02836	0.7
97.06520	0.7
98.20752	1.2
100.02439	0.6
101.00865	2.9
103.05460	16.2
104.06281	0.7
105.07027	100.0
106.07351	3.2
107.04958	4.9
107.06114	1.7
107.08611	3.3
109.02126	1.2
109.02876	25.4
109.06513	10.5
109.10165	8.1
110.07174	0.8
111.04430	1.8
111.09201	0.9
115.05432	1.8
117.07054	0.8
118.43234	0.6
119.01920	40.8
119.04926	9.3
119.08587	6.7
119.95119	1.2
120.02003	3.1
120.05354	0.8
120.08100	25.4
121.07639	0.8
121.10152	1.6
122.03649	6.0
122.07210	2.4
122.09627	0.8
123.04446	2.9
123.08081	7.9
123.10026	3.7
123.11715	1.4
124.05202	86.4
124.08708	2.3
125.05515	1.9
131.04919	1.8
132.05730	0.6
133.02832	2.1
133.06485	45.1
134.06807	1.1
137.02969	28.2
137.05969	89.9
137.09589	6.9
138.03052	1.7
138.06364	3.2
142.03494	24.7
142.96683	6.1
143.03575	1.8
147.04398	13.1
147.08057	1.6
147.11703	2.7
148.07527	0.7
148.08699	1.9
150.06750	1.7
151.07611	0.6
160.04564	12.3
160.05905	0.8
161.01241	0.6
165.01814	1.8
165.05486	5.1
165.06721	1.0
165.07785	1.6
165.09085	15.5
165.11234	2.8
165.12750	10.3
166.04974	1.7
166.08643	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.091
Annotation	Phenethyl acetate
Peak:m/z	Relative Intensity
51.02378	0.4
53.03951	1.9
55.01874	0.9
55.05520	0.7
56.96568	0.6
57.03427	0.5
66.04724	0.5
67.05496	2.8
69.03452	0.7
69.07067	0.6
70.05790	0.4
70.65444	1.4
77.03934	0.9
79.05490	28.4
80.04996	0.5
80.05791	0.6
81.03423	0.8
81.07059	3.7
83.40168	0.4
83.93041	1.2
90.04711	0.4
91.05488	8.0
92.06294	1.0
93.07048	2.0
94.04155	1.0
95.04955	7.6
95.08611	1.8
99.69650	0.4
100.02469	0.7
101.00872	3.1
101.94044	0.5
103.05465	26.8
104.05729	0.7
105.07026	70.1
106.07391	2.1
107.04944	1.2
107.08588	2.2
109.06526	2.6
109.10155	1.3
111.04470	0.4
115.05457	0.8
115.96458	0.6
116.97172	0.4
118.04187	2.6
119.01919	33.2
119.04942	3.5
119.08572	2.0
120.02013	1.8
120.05722	11.3
120.08105	4.8
121.06493	1.4
121.10160	2.1
122.03618	0.7
123.04433	0.7
123.08086	1.6
123.11723	0.7
124.02446	0.5
124.03927	0.4
127.58065	0.4
133.06493	4.0
134.07271	0.7
135.04364	2.5
135.08052	21.2
136.08380	1.0
137.02957	20.6
137.05945	4.1
137.09615	1.3
138.03046	1.3
141.97121	0.5
142.03496	19.0
142.96689	4.0
143.03636	0.9
147.04385	3.1
147.07979	0.5
147.11658	1.9
149.05960	1.5
150.06761	15.8
151.07103	0.9
160.04555	11.1
161.04704	0.5
165.01811	0.8
165.05455	3.6
165.09106	100.0
165.12733	5.0
165.98312	0.5
166.04945	0.8
166.09489	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	165.0909
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
53.03948	1.8
54.03478	0.9
55.01862	2.5
55.05507	8.1
55.93521	0.8
56.05042	1.3
56.67379	0.5
56.96559	1.5
57.03441	0.7
59.06137	0.6
63.16992	0.5
65.03935	2.7
66.03497	0.4
67.05501	60.0
68.05019	1.6
68.05836	1.5
68.72766	0.4
69.03429	3.4
69.07066	1.7
70.01391	2.1
70.06593	2.9
78.37332	0.5
79.05486	11.0
80.05029	1.0
81.03427	1.7
81.04541	1.5
81.07050	17.3
82.06573	1.1
82.07371	0.6
83.04965	1.5
83.06100	2.2
85.07664	0.9
91.05476	14.2
92.05789	0.4
93.07044	6.8
94.04205	0.6
94.06563	0.5
95.04962	17.8
95.06101	1.0
95.08607	14.0
96.05730	0.5
96.08910	0.5
97.02881	0.4
97.06487	0.5
97.07646	0.9
98.07172	0.6
101.00883	1.5
103.05460	4.8
105.03385	0.4
105.04495	0.6
105.07030	3.4
107.04958	4.8
107.06069	2.2
107.08591	6.1
109.02850	0.6
109.06518	9.7
109.07656	1.8
109.10149	100.0
110.07173	0.7
110.10481	3.4
111.04421	0.7
111.09180	1.0
117.07023	1.4
119.01917	23.4
119.04939	7.2
119.05798	0.6
119.08571	10.7
119.95128	0.4
120.02033	1.6
120.05605	0.9
120.08098	26.7
121.06498	0.7
121.10074	1.0
121.54640	0.4
122.06010	0.4
122.07198	2.7
123.04432	2.8
123.05225	0.4
123.08060	8.1
124.02438	0.7
124.05147	0.6
124.08707	2.8
125.09514	1.2
129.07014	0.5
133.02853	1.8
137.02985	13.4
137.06013	4.1
137.09610	45.7
138.03099	1.0
138.05534	0.8
138.06645	1.1
138.10022	1.8
142.03496	11.2
142.96674	1.7
143.03581	1.1
147.04413	10.8
147.08017	4.4
147.11697	0.6
148.07613	0.6
148.08629	2.8
160.04549	5.7
161.01259	0.4
165.01825	1.7
165.05476	3.6
165.07703	1.7
165.09109	6.3
165.11340	3.0
165.12753	2.1
166.05028	1.3
166.08594	1.1
166.59181	0.4
183.06070	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.4
54.03463	0.2
54.36607	0.1
55.01873	0.3
55.05506	1.6
56.05042	0.5
56.96571	0.6
57.03445	0.2
57.07084	0.2
58.06617	0.1
59.06094	0.2
65.03945	0.5
67.05501	7.3
68.05028	0.5
68.05815	0.2
68.99817	0.2
69.03421	1.2
69.07073	0.4
70.06599	0.4
71.04993	0.2
71.58223	0.2
77.03914	0.2
79.05495	1.8
80.05013	0.4
81.03414	1.5
81.04512	0.3
81.07052	4.9
82.06555	0.6
83.04980	0.3
83.06099	0.6
83.93042	0.3
85.07668	0.3
91.05476	3.3
91.06015	0.3
93.07034	2.8
95.04966	2.5
95.06122	0.4
95.08602	27.0
96.08923	0.8
97.07645	0.3
100.02473	0.2
101.00871	0.7
103.05478	1.1
105.07024	2.3
107.04957	0.6
107.06078	0.4
107.08599	0.7
108.05693	0.2
109.02903	0.3
109.06528	1.3
109.07659	0.4
109.10151	2.0
110.07205	0.2
111.09219	0.2
117.07005	0.3
118.03520	0.2
119.01918	11.3
119.04921	2.5
119.08578	2.0
119.95116	0.4
120.02039	0.8
120.08107	7.1
121.06527	0.3
121.07624	0.3
121.10136	0.5
122.07165	0.8
123.04553	1.1
123.08060	100.0
124.02435	0.2
124.08384	3.1
125.05901	0.2
125.09453	0.3
129.06989	0.2
133.02829	0.4
133.06477	0.2
137.02966	7.1
137.05920	1.2
137.07912	0.3
137.09602	1.3
137.13243	0.2
138.03061	0.6
138.05446	0.2
138.06573	0.3
138.10182	0.2
142.03494	6.2
142.96707	1.5
143.03572	0.4
147.03239	0.2
147.04402	3.6
147.08101	0.8
147.11668	0.5
148.04860	0.2
148.08685	0.7
160.04555	3.1
161.04698	0.3
165.01756	0.6
165.05482	1.9
165.07695	0.5
165.09081	5.2
165.11360	0.9
165.12730	4.1
165.14120	0.3
166.05002	0.4
166.08498	0.2
166.12985	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.091
Annotation	Phenethyl acetate
Peak:m/z	Relative Intensity
53.03929	0.4
53.76275	0.3
54.70793	0.2
54.78851	0.2
55.01867	0.5
55.05500	1.1
56.05018	0.2
56.96553	0.3
57.03432	0.2
57.07056	0.3
65.03925	0.4
66.74854	0.2
67.05504	7.9
67.05870	0.4
68.05017	0.7
68.99791	0.3
69.03413	0.7
69.07053	0.3
69.49577	0.7
69.50001	1.1
70.06593	0.4
79.05482	1.4
80.05006	0.3
81.03416	0.8
81.04550	0.3
81.07055	4.2
82.06573	0.3
83.06078	0.6
91.05473	2.6
92.37596	0.2
93.07040	2.6
95.04969	1.9
95.08604	24.9
96.08920	0.7
97.07612	0.3
100.89973	0.2
101.00841	0.4
103.05457	1.4
105.07021	2.8
107.04950	0.6
107.06079	0.7
107.08604	0.6
109.02878	0.5
109.06504	0.7
109.07623	0.3
109.10149	2.2
110.06060	0.6
117.07012	0.2
119.01920	3.5
119.04952	2.1
119.08558	2.4
120.08108	6.4
121.06487	0.3
121.07629	0.3
122.07214	0.7
123.04446	0.8
123.08064	100.0
124.08410	3.3
131.04947	0.3
133.02837	0.4
133.06514	0.7
137.03058	1.5
137.05977	1.8
137.09567	1.1
142.03487	1.6
142.96754	0.4
147.04396	2.6
147.08058	0.9
148.08647	0.6
160.04579	0.7
165.01810	0.8
165.05437	0.8
165.07784	0.3
165.09100	5.2
165.11380	0.6
165.12759	1.3
166.04926	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	2-Hydroxy-3-phenylpropenoate
Peak:m/z	Relative Intensity
53.03947	3.5
53.86892	0.6
56.96567	1.6
65.03952	2.1
65.92636	1.9
67.05484	0.9
71.56918	1.0
73.08501	1.1
74.02430	1.5
77.03956	1.5
77.16469	0.7
79.05500	1.1
80.94962	3.0
81.07037	1.2
82.99846	1.1
91.04902	1.0
91.05476	19.4
91.06012	1.3
93.07051	2.7
95.04969	75.7
96.05292	1.2
98.51907	0.7
100.02494	1.4
101.00873	13.7
101.92915	0.6
103.05468	4.7
105.01691	0.7
105.04521	1.5
109.06506	4.3
118.03445	0.9
119.01921	94.7
119.04937	53.6
119.05630	0.8
120.02000	1.7
120.05350	1.3
120.08112	6.2
121.06514	3.6
121.97576	1.9
122.06909	0.7
123.04427	100.0
124.02451	2.6
124.04784	2.2
124.93918	1.9
126.75005	0.7
128.04590	0.7
133.03436	0.7
137.02956	40.6
137.05949	3.0
138.03029	1.7
142.03497	53.3
142.94933	1.9
143.03612	2.5
147.04401	18.8
159.76541	0.8
160.04562	21.3
160.96016	2.2
161.04689	0.8
165.05426	3.5
165.07822	0.9
166.07295	5.0
166.08569	1.0
167.05640	1.7
183.06227	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03944	1.3
54.03471	0.6
55.01873	1.3
55.05499	1.3
56.05037	1.5
56.96561	0.9
58.06598	0.8
59.06120	0.8
65.03934	2.4
66.04724	0.4
67.05509	3.5
68.05025	2.5
68.99792	0.6
69.03430	1.2
69.04553	0.3
69.07067	0.9
69.97835	1.0
69.98247	0.4
70.06591	1.9
71.06131	0.4
77.03943	0.3
77.95634	0.3
79.05499	2.7
80.05028	0.9
81.03437	1.4
81.04541	2.0
81.07054	3.9
82.03780	0.3
82.06590	1.6
83.04956	0.5
83.06107	2.8
83.08607	0.3
85.07667	1.3
91.05480	38.6
92.05019	0.3
92.05818	1.3
93.07038	2.3
94.04175	0.5
94.06598	0.4
95.04973	5.7
95.06078	1.0
95.08598	3.4
96.04517	0.3
96.05602	0.4
97.02894	0.5
97.07648	1.6
98.07175	0.9
98.21404	0.4
98.97585	0.7
101.00890	1.0
103.05473	1.3
105.03389	1.1
105.04528	0.6
105.07034	4.4
107.04961	1.2
107.06067	2.2
107.08568	1.6
108.05637	0.5
109.02905	0.4
109.06513	2.9
109.07642	1.9
109.08305	0.4
109.10170	2.3
110.06017	0.6
110.07167	0.8
111.09193	0.3
116.98639	0.7
117.07035	0.5
119.01928	11.7
119.04942	64.2
119.08570	5.8
119.95149	0.3
120.02065	0.5
120.05247	2.0
120.08146	1.4
120.08876	0.3
121.06506	1.0
121.07610	1.3
121.10155	1.2
122.03636	0.6
122.07144	2.4
123.04430	5.4
123.06639	0.4
123.08057	3.4
123.11709	0.6
124.08720	2.8
125.09494	1.5
127.04053	0.3
133.02834	2.1
133.06493	1.2
134.99622	0.3
136.08687	0.7
137.03008	6.7
137.05966	6.7
137.08003	0.6
137.09605	2.6
138.03082	0.5
138.09221	0.5
138.10249	1.2
142.03496	7.2
142.96712	0.8
143.03560	0.4
147.04408	100.0
147.08069	2.0
147.11722	0.6
148.04767	3.3
148.08684	3.6
150.03181	0.3
160.04565	2.9
165.01837	1.3
165.05530	5.2
165.06708	0.7
165.07751	0.6
165.09102	3.3
165.11354	4.1
165.12766	2.3
165.13837	0.3
166.04984	0.7
166.08551	0.6
166.09798	0.6
183.02850	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.02363	0.4
52.73615	0.2
53.03939	0.6
55.01853	0.8
55.05493	1.2
56.05030	0.6
56.96571	1.2
57.07088	0.3
58.06598	0.3
65.03934	2.3
65.85420	0.2
67.05505	4.8
68.05014	1.1
68.99779	1.0
69.03427	4.6
69.04520	0.3
69.07050	0.6
69.69912	0.6
69.70325	1.1
70.06584	0.8
79.05477	1.7
80.05003	0.3
81.03410	0.7
81.04543	0.8
81.07053	4.8
82.06576	0.4
83.06088	1.2
86.79273	0.3
91.05477	27.9
92.05788	0.7
93.07040	1.6
95.04960	2.6
95.06040	0.4
95.08605	13.5
97.07641	0.4
100.17019	0.2
101.00848	0.5
103.05458	1.4
105.07026	1.4
107.04961	2.9
107.06075	0.9
107.08587	0.3
109.02879	0.6
109.06520	1.2
109.07616	0.6
109.09466	0.5
109.10158	7.1
110.07186	0.4
111.09214	0.4
117.07011	0.3
119.01932	6.9
119.04935	60.7
119.08562	2.0
120.05264	1.8
120.08105	7.9
121.02862	0.3
121.07616	0.5
122.07121	1.0
123.04442	4.1
123.08061	37.8
123.11645	1.6
124.08607	1.5
125.09484	0.6
133.02800	0.4
137.03052	3.0
137.05962	7.7
137.09599	1.5
138.05446	0.3
138.06415	0.3
138.10263	0.3
141.05487	0.5
142.03488	3.6
142.96684	0.4
147.04402	100.0
148.03781	0.4
148.04762	3.0
148.08675	1.0
159.13655	0.2
160.04512	1.7
165.01797	1.2
165.05484	17.1
165.09064	2.7
165.11382	1.7
165.12732	0.7
165.16417	0.4
166.04872	0.3
166.08578	0.3
183.02943	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.02391	0.3
53.03467	0.3
53.03942	1.1
54.03458	0.3
55.01859	0.9
55.05510	1.1
56.05032	1.2
56.96559	0.7
57.03439	0.4
58.06583	0.4
64.15131	0.3
65.03945	2.1
66.03464	0.3
66.14634	0.3
67.05502	2.8
68.05012	2.4
68.99774	0.4
69.03423	0.9
69.07058	0.4
69.81642	1.5
70.06580	1.4
77.03911	0.4
79.05485	2.1
80.05009	1.3
81.03428	1.5
81.04537	1.9
81.07052	2.0
82.06585	1.1
83.06098	2.7
85.02928	0.3
85.06497	0.3
85.07660	1.4
91.05478	38.0
92.05019	0.3
92.05815	1.0
93.07033	1.3
94.04212	0.4
94.06554	0.3
95.04970	5.0
95.06087	1.2
95.08600	1.7
97.02889	0.3
97.06438	0.4
97.07661	1.2
98.07184	1.3
98.21544	0.3
100.02483	0.3
101.00888	0.9
103.05462	0.9
105.03388	0.6
105.07034	1.8
107.04944	0.8
107.06053	1.5
107.08584	0.5
108.06844	0.7
109.02867	0.9
109.06531	1.6
109.07632	1.8
109.10141	2.0
109.88544	0.3
110.06035	0.5
110.07148	0.8
110.08442	0.3
110.70012	0.3
111.09190	0.6
114.83965	0.3
116.98635	0.4
119.01932	10.4
119.04939	66.5
119.08564	3.1
120.01978	0.3
120.04457	0.6
120.05192	1.6
120.08099	1.2
120.08863	0.3
121.06521	0.8
121.07604	1.3
121.10102	0.5
122.07211	1.5
123.04427	5.2
123.08079	1.3
123.11710	0.3
124.05119	0.3
124.08708	2.9
125.07101	0.3
125.09515	1.6
133.02850	3.3
135.04282	0.3
136.08691	0.4
137.02989	6.5
137.05960	5.2
137.06943	0.5
137.07930	0.5
137.09598	2.0
138.03038	0.3
138.05467	0.4
138.09177	0.4
138.10266	1.1
142.03497	6.5
142.96677	1.3
147.04404	100.0
148.04776	3.4
148.07597	0.3
148.08652	1.7
149.07114	0.4
160.04561	2.9
165.01804	1.4
165.05399	3.6
165.06674	1.8
165.09056	2.9
165.11356	3.0
165.12720	0.7
166.04993	0.9
166.08546	0.4
166.09799	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51006	0.3
51.63486	0.3
56.96565	2.2
57.03448	0.4
57.57693	0.3
60.00676	0.3
71.20613	0.9
73.02908	0.3
82.99874	0.5
85.33197	0.3
91.05462	0.5
91.89311	0.3
95.05004	0.5
98.97566	0.4
100.02480	1.2
101.00868	12.6
118.03520	0.9
119.01916	100.0
120.01984	3.7
121.02326	0.4
123.04417	0.7
124.02434	2.8
137.02951	44.1
138.03058	2.4
142.03493	57.6
143.00084	0.6
143.03600	2.8
160.04553	24.7
161.01201	0.6
161.03082	0.4
161.04749	1.3
165.05095	2.2
183.06149	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	Methyl benzoylformate
Peak:m/z	Relative Intensity
50.01591	0.9
51.02370	2.6
53.03949	11.1
55.01872	0.9
56.96568	0.7
65.03941	1.2
65.42311	0.3
67.01891	0.4
67.05504	2.9
68.99786	1.3
71.11356	0.8
76.75901	0.4
77.03930	7.2
79.05492	44.0
80.05833	1.1
81.03424	1.2
81.07047	1.4
82.06245	0.3
83.93024	0.7
89.12244	0.4
91.05471	1.5
93.07047	0.4
95.04968	27.1
95.08607	1.1
96.05290	0.6
100.02483	0.6
101.00851	2.3
105.03394	16.0
105.04477	4.3
105.06963	0.4
106.03731	0.6
107.04955	18.5
109.06548	0.8
109.10142	0.9
119.01920	20.3
119.04948	1.4
119.08570	0.6
120.02037	0.7
120.08092	1.9
121.06487	0.4
123.08028	0.6
125.06017	2.7
129.97203	0.5
135.04414	94.2
136.04742	3.2
137.01965	0.8
137.02966	11.6
137.05969	3.6
142.03502	12.2
142.96693	2.6
143.03603	0.7
147.04420	2.2
147.08066	0.5
150.03136	2.3
151.03802	0.5
153.05475	1.2
160.04565	4.6
161.04538	0.4
163.03870	0.6
163.05132	0.6
165.05473	100.0
166.05870	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00320	0.4
53.03944	0.4
55.01860	0.7
56.96294	0.5
56.96562	7.5
57.03437	0.9
60.09335	0.4
67.05495	0.9
70.12762	1.1
70.13182	1.1
71.95271	0.9
72.80924	0.4
79.05472	0.7
81.03401	0.7
82.99835	0.9
84.96038	0.4
85.02885	0.8
91.05463	2.1
93.07033	0.7
95.04974	1.1
97.02877	0.4
98.97601	0.5
100.02457	2.4
101.00872	12.7
102.00918	0.5
109.10115	0.5
115.02446	1.5
117.03984	0.6
118.03521	1.4
118.18670	0.4
119.01917	100.0
119.04881	3.1
119.08565	0.5
120.01998	5.2
120.08109	0.9
123.04427	1.6
124.02422	1.9
131.01921	1.3
132.02002	0.4
133.03458	1.8
135.05045	0.6
137.02959	48.0
137.05937	1.2
137.09601	0.5
138.03040	2.2
142.03493	51.0
142.96570	0.9
143.01892	0.8
143.03667	2.4
145.03487	0.6
147.04367	5.1
156.05022	0.5
158.11346	0.4
160.04550	23.4
160.97620	0.6
161.01311	0.8
161.02963	3.9
161.04745	1.6
165.01807	0.8
165.05202	2.2
179.04005	1.1
184.04556	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99862	0.4
62.44627	0.4
65.20084	0.4
70.35497	0.4
71.56702	0.6
72.13083	0.4
82.99818	0.9
88.24407	0.3
100.02473	1.0
101.00876	16.1
102.00936	0.8
102.72651	0.4
104.23911	0.4
118.03525	0.7
119.01919	100.0
120.01987	5.4
124.02396	2.8
128.71872	0.4
137.02954	40.2
138.02985	2.1
141.05013	0.5
142.03497	60.6
143.03629	3.1
160.04558	23.1
160.05952	0.6
161.04640	1.6
165.05046	1.8
183.06084	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.9
54.03477	0.2
55.01878	1.2
55.05508	7.2
57.03420	0.4
57.07075	1.2
63.02351	0.2
65.03934	1.6
67.05502	4.5
69.03431	0.9
69.07066	20.4
69.35858	2.1
70.07393	0.3
77.03920	0.9
79.05492	21.0
80.05033	0.6
80.05832	0.7
81.03417	0.5
81.04545	0.5
81.07053	23.0
82.05319	0.3
82.07377	0.5
83.08615	5.5
85.02891	0.5
89.03917	3.5
91.05476	16.3
92.02624	0.7
92.05811	0.5
93.07040	38.8
94.07355	1.3
95.04970	6.4
95.06081	0.6
95.08604	19.8
96.06860	0.4
96.08934	0.5
97.07656	0.4
103.05462	19.5
104.05786	0.9
105.03422	1.4
105.04513	1.1
105.07027	12.0
106.06548	0.8
106.07304	0.4
107.04956	8.4
107.08589	100.0
107.52429	0.2
108.04500	0.2
108.05577	0.5
108.08167	0.5
108.08870	3.2
109.06509	3.8
109.07658	0.4
109.10151	1.2
115.05449	0.8
117.03360	2.2
117.05762	0.5
117.07008	2.9
119.04890	0.4
119.06121	1.1
119.08569	5.0
120.02131	0.2
120.05632	0.7
120.08110	0.2
121.06505	3.5
121.10139	32.9
122.06109	0.2
122.07169	1.1
122.10433	1.6
123.08027	1.4
127.07532	0.8
130.06558	1.2
130.07806	1.1
130.08630	0.2
131.04926	13.6
132.05254	0.8
132.08066	1.1
133.02859	3.3
133.06491	0.5
133.07561	0.3
133.10144	0.3
135.04413	11.1
135.08051	6.1
135.11685	13.2
136.04776	0.4
136.07552	1.2
136.08591	0.8
136.12050	0.5
138.03154	0.2
143.08565	0.4
145.02904	1.1
145.03938	0.4
145.06480	1.4
145.08960	0.2
145.10110	5.4
146.06017	0.4
146.07103	0.3
147.08063	0.5
148.08820	0.6
149.05908	0.3
161.13286	0.4
163.03899	16.0
163.07541	8.0
163.09814	1.7
163.11174	10.0
163.14815	28.9
164.04468	1.1
164.06920	1.8
164.11549	0.7
164.15210	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38766	0.7
51.02372	1.1
53.03943	4.3
55.01857	1.4
55.05511	10.4
56.33372	0.6
57.03418	0.6
57.07076	4.9
65.03944	1.9
67.05491	3.0
68.99786	1.8
69.03435	1.1
69.07069	28.0
70.20070	3.6
77.03930	1.3
79.05061	1.5
79.05492	22.1
81.07056	8.3
81.95632	1.1
83.08610	12.0
89.03931	4.4
91.05476	20.3
92.02625	1.1
92.05782	0.8
93.07047	33.2
94.07385	1.3
95.04968	11.0
95.08600	8.3
103.05474	13.0
105.03391	2.1
105.04512	2.0
105.07031	23.6
106.06585	1.1
107.04964	7.6
107.08591	86.9
108.08818	1.3
108.09435	2.3
109.06509	3.3
109.10149	2.3
115.05492	1.2
117.03393	3.0
117.05743	1.2
117.07021	3.4
119.04916	1.0
119.06133	1.0
119.08575	10.0
120.05643	1.1
120.09398	1.5
121.02859	1.9
121.06532	2.5
121.10143	100.0
122.07121	1.6
122.10429	4.2
123.08066	4.7
130.06509	1.6
130.07788	1.0
131.04916	13.5
132.08054	2.1
133.02824	8.2
133.03638	0.7
133.07578	1.3
133.10141	2.8
135.04410	15.4
135.08051	2.1
135.11687	22.9
136.04758	1.4
136.07645	0.7
136.08662	1.1
136.12083	0.8
145.02872	1.2
145.06512	1.6
145.10178	4.6
148.08943	0.9
163.03912	41.6
163.07510	5.3
163.09769	2.1
163.11136	13.4
163.12425	1.0
163.14819	25.2
164.04260	2.3
164.07057	2.2
164.11763	0.9
168.10182	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02376	0.6
53.03939	4.1
55.01870	1.0
55.05511	13.6
55.19895	0.6
57.07076	5.6
65.03947	1.6
67.05507	3.8
69.03428	1.8
69.07069	37.4
70.24342	1.1
70.24741	1.1
71.08618	0.7
77.03922	1.2
79.05492	21.7
81.07063	6.2
83.08620	13.5
89.03928	3.6
91.05479	21.1
92.02634	1.1
92.05800	1.0
93.07044	42.6
94.07380	0.9
95.04974	7.7
95.06094	0.5
95.08607	8.2
103.05466	15.1
104.05771	0.8
105.03417	0.8
105.04508	1.8
105.07031	25.4
106.06553	0.6
106.07848	0.7
107.04960	5.4
107.08594	90.8
108.08805	1.4
108.09388	3.7
109.06522	5.2
109.10162	3.3
115.05440	1.3
117.03391	2.2
117.07006	3.2
119.06054	1.0
119.08587	12.7
121.02899	0.6
121.06532	4.3
121.10143	100.0
122.07121	0.7
122.10409	3.0
123.08061	5.1
130.06529	1.7
130.07805	1.5
131.04924	12.0
132.08051	1.2
133.02858	6.1
133.06522	0.9
133.07597	1.4
133.10135	1.8
134.10902	1.6
135.04424	11.6
135.08069	2.6
135.11693	22.0
136.07611	1.6
145.02850	0.8
145.06511	0.7
145.10130	5.4
147.08046	0.9
148.08786	2.9
163.03905	27.3
163.07550	6.3
163.09766	1.6
163.11172	22.6
163.12306	0.7
163.14822	26.5
164.04263	0.9
164.11530	1.3
164.15172	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02361	0.4
53.03940	2.2
55.01862	0.9
55.05505	7.5
57.03446	0.4
57.07085	1.4
65.03925	1.3
67.05505	4.2
68.05016	0.4
69.03440	0.6
69.07066	20.6
70.05446	1.2
70.07375	0.5
71.08630	0.4
77.03930	0.9
79.05491	19.9
81.03407	0.3
81.04534	0.3
81.07053	23.1
82.07386	0.7
83.04900	0.3
83.08614	5.2
89.03912	3.6
90.04250	0.3
91.05477	15.4
92.02627	0.5
92.05779	0.5
92.06282	0.4
93.07038	37.7
94.07369	1.2
95.04970	6.1
95.05981	0.4
95.08604	18.7
96.06889	0.4
96.08958	0.3
97.10147	0.4
100.02491	0.3
100.10980	0.4
103.05463	20.0
104.05786	0.9
105.03411	0.7
105.04536	1.1
105.07026	12.1
106.06520	0.5
107.04951	5.0
107.08588	100.0
108.05459	0.3
108.08872	2.8
109.06504	3.7
109.07633	0.4
109.10149	1.3
115.05415	0.8
117.03390	3.0
117.05766	0.5
117.07030	2.2
119.04964	0.5
119.06064	1.1
119.08575	3.9
120.05704	0.5
121.06522	3.6
121.10137	32.4
122.07174	0.7
122.10478	1.2
123.08012	1.0
127.07547	0.9
130.06551	0.5
130.07771	1.0
131.04916	16.6
132.05309	1.0
132.08096	0.6
133.02847	3.0
133.06465	0.4
133.10123	0.3
135.04408	10.4
135.08046	5.1
135.11688	13.0
136.04742	0.5
136.07564	0.8
136.08565	0.6
136.12053	0.4
145.02855	2.0
145.03833	0.3
145.06482	1.1
145.10127	4.3
147.08044	0.3
147.67767	0.3
148.05202	0.4
148.08769	0.3
161.13185	0.6
163.03894	13.7
163.07536	8.7
163.09789	1.5
163.11176	8.6
163.14815	29.7
164.04305	0.9
164.06935	1.9
164.11598	0.5
164.15140	1.3
170.22447	0.3
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
50.60028	0.6
53.00304	0.8
53.03945	4.6
55.01866	1.2
55.05511	7.3
57.07076	5.2
63.02391	1.0
65.03935	1.6
67.05505	3.3
68.05040	0.9
69.03432	1.2
69.07070	51.7
70.07391	1.2
71.57449	1.0
77.03954	1.0
79.05497	25.8
80.05051	0.8
80.05851	0.8
81.04578	1.1
81.07059	9.2
82.05335	0.6
83.08611	7.9
84.08145	0.7
85.02899	0.6
89.03918	29.4
90.04251	1.4
91.05478	20.1
92.02618	1.2
92.05812	0.9
93.07044	32.9
94.07378	0.8
95.04974	11.5
95.06089	1.9
95.08607	11.1
96.08970	0.6
97.07641	0.9
99.01294	0.5
102.35954	0.6
103.05470	31.2
104.05836	1.1
105.03393	2.0
105.04539	1.9
105.07030	19.4
106.06576	0.7
106.07877	0.7
107.03751	0.5
107.04958	14.0
107.08595	100.0
108.05570	1.1
108.08263	0.6
108.08923	1.9
109.06508	3.9
109.07676	1.2
109.10158	1.5
115.05492	2.0
117.03381	20.7
117.05700	0.6
117.06992	2.7
118.03706	1.6
118.06530	0.9
119.06082	2.3
119.08583	8.3
120.02122	0.5
120.05636	0.6
120.08103	0.6
120.09375	0.9
121.06513	2.2
121.10144	53.8
122.07159	2.3
122.10502	2.2
123.08021	4.5
130.06569	1.6
130.07806	1.0
131.04930	26.0
132.05263	1.3
132.08109	1.8
133.02870	6.8
133.10120	1.2
134.10907	1.0
135.04420	49.0
135.08049	1.8
135.11687	20.1
136.04784	2.2
136.07582	2.8
136.08705	1.9
136.12050	0.7
136.21005	0.6
137.09564	0.8
145.02864	12.6
145.03966	1.1
145.06514	2.4
145.10115	2.5
146.06013	1.3
146.07104	1.0
148.05237	1.1
148.12500	0.9
163.03912	47.0
163.07538	9.1
163.09790	3.6
163.11188	4.7
163.12456	1.3
163.14827	31.7
164.04382	2.8
164.07074	1.8
164.08284	0.9
164.10719	1.1
164.15231	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.9
53.03943	9.8
54.03458	1.1
55.01872	4.1
55.05266	1.0
55.05510	13.1
56.96557	1.2
57.07074	26.1
60.71343	0.9
63.02348	1.2
64.59351	0.8
65.03941	2.1
66.17947	0.9
67.05493	4.4
68.05013	1.3
69.03412	2.8
69.06715	1.2
69.07066	11.2
70.13843	4.3
71.04996	1.3
71.84382	0.9
77.03925	1.8
79.05491	27.5
80.05025	1.5
80.05798	1.2
81.03402	2.2
81.04510	1.8
81.07059	13.7
82.25154	0.8
83.04980	1.1
83.08609	3.3
85.02895	1.3
86.22021	0.9
86.54527	0.9
89.03918	11.1
89.05483	1.1
89.06031	17.8
91.05479	20.1
92.02613	3.6
93.03406	1.0
93.05769	1.1
93.07044	31.5
94.06571	1.1
94.07361	1.5
95.04970	24.3
95.06068	4.1
95.08598	9.6
96.06867	1.6
97.07661	1.8
98.20705	0.9
98.29720	0.9
98.76860	0.8
101.09648	2.2
103.05463	28.5
104.05779	1.2
105.03426	4.6
105.04523	4.2
105.07032	15.9
106.06537	3.2
106.07221	1.0
107.03796	1.1
107.04951	24.4
107.06055	1.9
107.07066	2.4
107.08588	43.6
108.05659	1.2
108.08106	2.0
108.08827	1.0
109.06507	2.5
109.07634	1.3
115.05440	3.2
117.03368	6.8
117.05755	2.6
117.07022	11.1
118.03516	1.0
119.04917	2.4
119.06100	1.3
119.08564	10.1
120.05723	1.2
121.02874	1.5
121.06516	7.3
121.10137	21.4
122.07140	5.3
123.07971	3.4
128.40596	0.9
129.06987	0.8
130.06502	5.5
130.07785	3.8
131.04918	26.0
132.05276	1.4
132.08090	4.1
133.01849	1.1
133.02852	19.4
133.06502	4.8
133.10141	1.2
134.03087	1.2
135.04413	47.0
135.08041	8.4
135.11673	8.9
136.04741	2.9
136.07587	41.0
136.08667	4.2
138.03104	1.4
140.07021	2.1
145.02834	2.5
145.03963	1.3
145.06494	5.7
145.10115	14.9
146.07057	1.9
147.08049	4.1
148.08832	14.9
148.09924	1.8
163.03903	90.1
163.07544	13.4
163.09828	9.0
163.11159	100.0
163.14799	12.9
164.04436	4.1
164.07019	7.3
164.11569	4.6
164.14348	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	163.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.3
53.03946	1.6
53.72344	0.2
55.01859	0.8
55.05507	1.3
56.96544	0.3
57.03436	0.4
57.07065	0.2
59.05725	0.2
62.74296	0.2
67.05509	1.0
68.05023	0.2
69.03431	1.2
69.07060	2.0
71.04978	0.3
71.58282	0.3
73.66814	0.2
77.03892	0.4
79.05490	7.2
80.04987	0.2
81.07048	1.6
83.04988	0.6
83.08599	0.2
85.02894	0.5
85.71243	0.2
89.03897	0.8
89.12092	0.2
91.05474	4.4
92.02611	0.8
93.07035	5.7
95.04963	5.6
95.06062	0.6
95.08574	0.8
96.06884	0.3
97.02886	0.2
97.07643	0.4
100.02481	0.4
103.05464	7.0
104.05765	0.2
105.03386	0.9
105.04507	0.7
105.07023	4.2
105.08115	0.2
106.06552	0.5
107.04947	6.7
107.06051	0.4
107.08585	6.0
108.05662	0.2
109.06479	0.5
109.07630	0.2
115.05448	0.8
117.03391	0.7
117.05740	0.5
117.07005	4.7
118.03520	0.4
118.06519	0.3
119.08592	1.8
120.05630	0.2
121.06508	1.8
121.10136	3.2
122.07135	0.9
123.07984	0.6
130.06528	0.8
130.07744	1.5
131.04921	6.9
132.08087	1.2
133.02846	3.7
133.06487	3.4
133.10081	0.2
134.03230	0.2
135.03381	0.4
135.04414	6.1
135.07098	0.3
135.08055	4.3
135.11693	2.4
136.04759	0.4
136.08672	0.3
137.30647	0.2
138.03073	0.3
143.08543	0.6
145.02858	0.4
145.03955	0.3
145.06488	0.5
145.10114	8.3
146.07079	0.4
147.06932	0.4
147.08026	4.5
147.09190	0.2
148.08823	16.7
149.09206	0.5
163.03905	13.9
163.07565	3.6
163.11163	100.0
164.04309	0.5
164.11519	4.6
164.14238	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	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
50.01587	0.3
51.02366	0.5
52.19951	0.2
53.03941	2.2
54.03458	0.3
55.01875	1.1
55.05507	1.5
56.96566	0.5
57.07063	0.3
65.03932	0.5
66.89153	0.2
66.96365	0.2
67.05497	1.3
68.05022	0.2
69.03426	1.4
69.07071	2.7
69.50819	1.6
71.04980	0.4
71.34260	0.2
77.03912	0.6
79.05492	8.2
80.04987	0.4
81.03400	0.5
81.04555	0.5
81.07055	2.4
83.04971	0.5
83.08610	0.6
84.08147	0.4
85.02900	0.3
89.03897	1.2
91.05475	5.2
92.02618	0.9
92.05769	0.2
93.07039	6.4
95.04971	6.4
95.06080	0.7
95.08603	1.3
96.06879	0.5
97.07639	0.4
100.02435	0.3
103.05466	10.5
104.05764	0.3
105.03396	1.6
105.04498	1.5
105.07030	5.0
106.06562	0.5
106.07281	0.2
107.04206	0.3
107.04949	7.4
107.06055	0.4
107.08588	8.6
108.05649	0.6
109.06499	0.8
115.05425	1.1
117.03373	0.9
117.05727	0.5
117.07016	5.2
119.04922	0.4
119.06035	0.3
119.08574	2.0
120.05560	0.3
120.08102	0.2
121.06499	1.9
121.10139	5.0
122.06232	0.3
122.07153	1.6
123.07966	0.9
128.06197	0.3
129.07036	0.3
130.06523	1.3
130.07739	1.7
131.04927	9.5
132.05264	0.6
132.08107	1.7
133.02846	5.3
133.03809	0.3
133.06480	3.4
133.07480	0.4
135.04411	9.1
135.08051	4.2
135.11685	3.0
136.04689	0.5
136.07545	0.8
136.08672	0.7
141.03841	0.2
143.08549	0.8
145.02841	0.5
145.03955	0.4
145.06499	0.8
145.10118	8.7
146.07074	0.5
146.10533	0.3
147.08032	5.1
148.08826	16.3
149.09204	0.6
163.03908	20.5
163.07565	4.1
163.11166	100.0
164.04259	0.9
164.06999	0.5
164.11565	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	163.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.6
51.02372	1.0
52.13335	0.6
53.03951	4.2
55.01875	1.3
55.05508	1.7
57.03149	0.9
57.03436	25.7
57.07074	26.6
59.05011	1.5
61.01148	0.7
61.02951	0.7
63.02383	2.4
65.03949	1.1
67.05502	6.6
68.05023	0.8
68.50223	0.7
69.03423	6.4
69.07077	1.2
69.49426	5.3
71.04987	3.5
77.03931	0.8
77.93802	0.5
79.05489	17.2
80.05015	0.6
80.05827	0.6
81.03414	0.9
81.04541	2.2
81.07063	1.4
83.06113	1.0
83.08674	0.8
85.02912	1.4
85.06544	22.9
89.03916	81.3
90.04269	2.1
91.05479	5.6
92.02636	1.4
93.07022	3.7
95.04967	16.1
95.06086	2.2
95.08620	1.2
99.08102	1.0
101.05995	3.3
103.05466	14.2
103.07579	35.9
105.03411	1.2
105.04519	2.8
105.07028	4.3
105.80199	0.6
106.06561	1.2
107.04952	20.0
107.06059	0.9
107.08600	5.3
108.05615	1.1
109.07667	1.4
115.05451	1.5
117.03378	52.5
117.07001	3.6
118.03715	1.9
118.06546	1.3
119.04964	1.2
119.08587	1.9
120.04508	0.7
121.06511	1.4
121.08758	0.8
121.10167	2.9
122.07152	3.3
123.07965	2.0
127.07567	1.5
130.06519	2.3
130.07849	1.1
131.04016	1.2
131.04935	15.5
132.08084	1.7
133.02864	7.0
135.04411	100.0
135.08034	3.0
135.11673	1.4
136.03889	0.7
136.04767	4.6
136.07573	2.8
136.08699	2.3
139.77208	0.6
145.02847	32.7
145.03931	2.0
145.06493	1.9
145.10110	2.3
146.03232	2.2
146.07135	1.3
148.08798	0.7
163.03900	88.1
163.07536	7.3
163.09789	5.1
163.11183	6.0
163.12274	0.7
163.14844	1.5
164.04347	3.8
164.07054	2.8
164.08281	0.9
170.27338	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0867
Annotation	5-methoxy-6-methylbenzimidazole
Peak:m/z	Relative Intensity
53.03942	1.8
55.01867	0.5
55.15736	0.3
56.96559	0.5
57.03434	0.5
61.02924	0.4
63.02385	1.1
63.92947	0.5
65.03957	0.4
69.03424	0.8
69.59711	0.7
69.60113	1.7
77.03909	0.3
78.95260	1.0
79.05492	6.3
81.03408	0.4
81.04562	0.4
81.07053	0.5
85.02904	1.8
87.84214	0.3
89.03915	31.1
90.04244	1.0
91.05471	1.5
92.02605	0.4
92.05015	1.2
93.07065	0.6
94.06549	0.3
95.04971	3.7
95.06127	0.4
95.08597	0.3
97.02884	0.6
103.05470	2.6
105.03395	0.7
105.04527	0.9
105.07011	0.6
106.06551	0.5
107.04955	7.4
107.05621	0.6
107.08571	0.7
117.03379	23.1
117.05738	1.0
117.07043	0.3
118.03715	0.8
118.06542	2.9
119.01901	0.3
119.97873	0.6
121.06468	0.5
121.10029	0.4
122.94160	0.5
123.08015	0.6
130.06520	0.7
131.04941	2.6
132.08104	0.8
133.02866	2.1
133.07610	18.7
134.07996	0.6
135.04414	46.0
135.08018	0.5
136.04767	1.6
136.07602	0.6
136.08679	0.4
139.02774	0.3
140.95190	0.4
145.02852	15.2
145.03867	0.7
145.07600	20.3
146.03204	0.6
146.07156	0.4
146.08340	1.6
148.27930	0.4
154.53989	0.3
158.96332	0.9
163.03912	34.3
163.08661	100.0
164.04283	1.3
164.07011	0.3
164.09081	3.6
165.03891	0.3
170.08345	0.3
181.02870	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0753
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02367	1.0
53.00281	0.6
53.03946	6.4
54.03467	0.4
55.01871	3.2
55.05499	0.6
56.96554	2.3
57.03410	0.5
57.07094	0.5
61.14955	0.4
65.03941	1.2
67.05489	2.5
68.05016	0.6
68.99786	0.7
69.03417	1.3
69.07063	1.7
73.97830	0.5
77.03925	1.7
79.05491	21.8
80.05002	0.7
80.05818	0.5
81.03419	1.3
81.04546	0.8
81.07056	2.9
82.05325	0.5
84.08175	0.6
89.03922	3.3
91.05475	14.0
91.06015	0.9
92.02618	2.5
92.05755	0.6
92.06254	1.2
93.07035	7.1
95.04967	15.6
95.06026	1.0
95.08606	1.8
96.05290	0.7
96.06876	0.7
97.07624	0.4
98.20744	1.0
100.02454	0.9
102.04638	0.5
103.05462	100.0
104.05717	3.2
105.03406	3.3
105.04513	2.6
105.07025	22.0
105.65526	0.5
106.06557	2.0
106.07352	1.1
107.04953	18.9
107.07352	1.3
107.08575	8.1
109.06547	1.1
109.07617	0.4
115.05460	5.4
117.03377	1.9
117.05774	2.2
117.07007	3.6
118.03463	0.7
118.06506	0.8
119.04940	2.1
119.06128	0.5
119.08553	1.7
120.04509	0.4
120.04790	0.5
120.05705	5.8
120.08104	0.5
121.02882	0.9
121.06528	5.0
121.10119	3.5
122.07156	1.9
122.09642	3.7
123.08014	1.9
130.06540	3.4
130.07687	0.7
131.04922	69.5
132.05167	2.7
132.08102	3.5
133.02852	14.2
133.06477	2.1
134.03229	0.6
135.04417	20.0
135.08046	20.1
135.09094	1.0
135.11664	1.3
136.04770	0.8
136.07587	0.9
136.08630	1.5
137.06075	0.6
138.03145	0.9
145.02859	1.4
145.03896	1.0
145.06514	2.8
145.07503	0.7
145.10129	3.6
146.07132	0.8
147.08034	2.0
148.05226	3.4
148.08823	3.7
149.06023	2.3
163.03897	48.2
163.07538	30.5
163.09782	2.9
163.11147	24.8
163.12323	2.1
163.14801	1.8
164.04411	2.1
164.06921	1.0
164.08157	1.3
164.10596	1.1
164.11740	0.6
181.02931	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0753
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02372	0.6
53.03944	2.7
54.16144	0.3
55.01867	0.6
55.05496	0.5
67.05495	0.6
68.05043	0.3
69.03416	0.5
69.07049	1.1
69.10048	0.3
69.47576	0.8
69.48000	2.4
70.99567	0.4
77.03934	0.8
79.05494	4.3
81.04533	0.8
81.07069	1.9
82.05322	0.4
89.03907	1.5
91.05472	3.2
92.02598	0.8
93.07025	3.7
95.04967	6.5
95.06037	0.8
95.08615	0.7
96.06854	0.5
102.04708	0.5
103.05462	90.2
104.05801	3.4
105.03376	1.1
105.04493	1.1
105.07018	2.2
107.04940	3.9
107.06053	0.6
107.08588	5.3
108.05603	0.5
109.07638	0.4
115.05455	1.0
117.03354	0.8
117.05781	0.5
117.07012	1.4
119.04994	0.6
119.06026	0.6
119.08565	1.0
120.05643	0.6
120.08070	0.4
121.06500	1.1
121.10126	2.0
122.07162	1.5
123.07921	0.9
130.06514	1.6
131.04922	100.0
132.05237	3.8
132.08073	1.4
133.02867	5.3
135.03394	0.6
135.04416	8.9
135.08023	1.3
135.11674	1.0
136.04784	0.6
136.07547	1.9
136.08678	1.0
145.02838	0.7
145.06473	1.1
145.10117	1.0
146.07056	0.5
147.08070	0.4
148.05144	0.4
148.08788	0.6
163.03903	18.9
163.07535	38.1
163.09775	2.6
163.11168	7.6
163.12321	0.5
163.14824	1.0
164.04335	0.6
164.07932	1.5
170.33063	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0754
Annotation	beta-Dolabrin
Peak:m/z	Relative Intensity
51.02373	1.7
53.03938	7.5
55.01870	12.4
55.05508	7.1
56.96558	1.0
57.03435	3.1
57.07074	1.1
63.02365	1.0
65.03938	3.3
66.35301	0.6
67.05502	13.4
68.05035	0.9
68.99789	7.7
69.03422	6.5
69.07061	7.5
71.04990	1.4
71.57997	0.9
77.03931	2.6
79.01862	1.5
79.05489	46.0
80.05016	1.5
80.05793	1.0
81.03412	3.9
81.07049	17.6
83.04952	3.3
83.08607	1.6
84.00531	0.6
84.78668	0.6
85.02909	0.9
89.03910	10.0
91.05472	33.2
92.02629	4.3
92.05790	0.8
93.04493	0.7
93.07034	46.3
94.06557	0.7
94.07355	0.9
95.04959	30.9
95.06067	1.9
95.08603	17.3
96.05283	1.2
96.08953	0.7
97.06536	1.1
100.02459	1.4
103.05458	45.8
104.05772	1.3
105.03373	4.6
105.04513	4.9
105.07020	30.5
106.06546	2.4
106.07293	1.0
107.04947	100.0
107.08585	44.3
108.05229	2.9
108.08884	1.0
109.06514	4.6
112.68684	0.7
115.05459	6.7
116.06218	1.2
117.03355	6.6
117.05737	2.3
117.07006	25.4
118.03495	1.4
118.06567	1.0
118.07343	1.2
119.04906	2.7
119.06033	1.3
119.08569	12.9
120.05690	3.0
120.08102	1.0
120.84698	0.6
121.02880	3.9
121.06496	12.9
121.10129	17.4
122.07138	2.2
122.09653	2.0
123.04440	4.1
123.07990	1.8
128.06229	0.8
129.06995	1.1
130.06551	5.2
130.07776	7.8
131.04921	37.8
132.05290	1.2
132.08083	5.4
133.02844	20.7
133.06473	2.3
133.10123	2.1
134.07231	0.8
135.04408	39.8
135.08038	29.6
135.11668	13.7
136.04733	1.7
136.07516	1.6
136.08476	1.2
136.11957	0.9
138.03120	1.1
143.08536	1.9
145.02840	3.9
145.03909	1.1
145.06471	6.2
145.10106	27.3
146.07066	1.3
146.10478	1.4
147.04391	8.0
147.08057	1.2
148.05186	20.9
148.08763	1.3
155.06030	0.7
163.03896	99.3
163.07532	48.2
163.09793	4.0
163.11142	42.7
163.14801	7.5
164.04358	4.6
164.06882	1.2
164.08093	1.3
164.10493	0.9
164.11633	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0913
Annotation	Boschniakine
Peak:m/z	Relative Intensity
51.02371	0.5
53.03944	2.4
55.01856	1.5
55.05504	0.9
56.05028	0.8
56.96565	7.8
57.03439	1.9
58.06594	2.4
58.96175	0.5
60.04509	0.8
60.08154	0.9
60.95849	3.2
61.02914	0.6
61.92854	0.4
63.02373	0.5
65.03931	1.7
67.05486	1.0
68.05007	0.5
69.03434	2.6
69.07076	0.4
70.06579	1.5
70.77134	0.4
70.77464	0.8
71.05002	0.4
72.04514	0.6
72.08143	0.7
73.02893	0.6
74.02415	0.5
74.06061	1.3
75.43450	0.3
77.00893	0.7
77.03912	0.7
79.05486	6.5
80.04994	1.1
81.03426	1.7
81.07079	0.8
82.06573	0.8
82.97295	0.3
84.04494	1.0
84.08133	0.9
85.02910	2.3
85.06532	0.8
85.81894	0.4
87.04481	0.4
88.03999	0.6
89.03916	15.7
91.05483	18.0
92.02608	0.7
92.04982	0.6
92.05818	0.8
93.02071	0.6
93.07042	3.9
94.06551	0.9
95.04962	5.7
95.06074	0.5
96.04471	0.5
97.02902	1.8
98.03134	0.6
98.06070	0.8
98.09698	0.8
98.97583	1.8
99.04430	0.4
99.08080	1.0
100.07614	3.0
101.00900	0.4
102.00944	0.7
102.05527	1.0
102.09211	0.8
102.96872	3.3
103.00655	0.6
103.03944	1.2
103.05452	3.0
105.03383	1.5
105.04491	0.8
105.07027	2.5
106.06547	3.6
106.07352	1.2
107.04961	8.1
107.06026	0.6
107.07751	0.5
107.08575	2.2
108.05623	0.4
108.08131	0.5
109.06484	0.7
110.06051	0.5
111.06357	0.4
115.05463	6.1
116.04981	0.9
116.05738	0.5
116.07092	0.8
116.10717	1.0
116.98610	1.6
117.03380	10.5
117.05782	2.4
117.07013	14.2
118.06539	2.6
118.07288	0.7
118.17265	0.4
119.01897	3.3
119.04939	8.6
119.05826	0.6
119.07259	1.7
119.08554	0.6
120.00668	0.6
120.02012	10.0
120.04447	0.7
120.05690	1.5
120.06555	0.8
120.08115	2.6
120.96504	1.4
120.97897	5.4
121.01665	8.3
121.05145	0.6
121.06524	6.0
121.10173	0.4
122.06017	0.4
122.07065	0.7
123.03452	0.5
123.07992	0.5
126.05506	0.5
130.06523	4.5
131.01872	0.6
131.04918	1.1
132.08086	4.9
133.01785	0.7
133.02812	4.4
133.05211	3.4
133.06383	0.8
133.07587	0.9
134.06010	5.4
134.06952	0.7
134.08725	0.3
134.09644	7.5
134.10645	0.5
134.99646	0.9
135.04419	24.2
135.08047	3.5
136.07594	0.5
136.08595	0.4
137.02937	1.7
137.04561	0.5
138.03088	7.4
138.04234	0.7
138.98129	0.3
138.98938	8.1
139.01706	0.4
139.02682	5.2
143.03592	0.7
143.07321	0.5
144.03247	2.2
144.04263	0.5
144.06522	0.7
144.08076	3.4
145.02837	6.3
145.06488	14.2
145.07559	1.1
145.09752	0.5
146.05940	2.7
146.06989	0.4
146.99658	0.5
147.06799	7.6
149.01245	0.4
152.95500	0.4
155.06029	1.3
156.96236	0.4
156.99992	2.6
157.03473	2.0
158.02994	1.1
160.07562	1.2
162.00569	0.7
162.04315	2.0
162.05490	4.2
162.09131	100.0
163.03908	25.8
163.06033	0.6
163.07465	2.5
163.08670	5.3
163.09644	2.6
163.11221	0.5
163.12302	3.3
174.98587	0.8
175.04503	1.0
176.04070	1.3
177.04370	0.5
180.05386	0.6
181.02846	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0548
Annotation	Jineol
Peak:m/z	Relative Intensity
53.03953	2.8
55.01883	0.8
56.05024	1.7
56.85490	0.5
56.96560	0.8
57.91883	0.5
58.06595	1.8
60.04520	1.2
61.92862	1.3
65.03936	4.6
68.05030	0.7
68.14290	0.5
69.27178	2.6
69.27610	3.1
70.06582	1.4
71.04993	0.5
72.04515	0.6
74.06081	1.5
79.05489	10.2
80.05019	2.1
81.03405	1.2
81.04543	0.8
81.07046	0.6
83.06123	0.9
84.04507	1.7
85.02918	0.7
86.06073	0.7
89.03916	7.0
89.63158	0.6
90.82628	0.5
91.05479	5.1
92.02625	0.7
92.05006	1.4
93.03410	0.9
93.07080	0.6
95.04978	7.4
95.06082	0.8
96.04498	1.1
98.06073	1.2
100.07608	0.7
102.05541	2.5
103.03961	0.7
103.05461	2.0
105.03392	1.9
105.04518	1.4
105.07049	3.5
106.06557	24.0
106.07268	0.9
107.04950	10.0
107.06082	1.2
107.08552	1.1
108.05608	0.5
111.04445	3.9
115.05445	1.1
116.04977	16.2
116.05779	0.7
116.07068	1.0
116.62858	0.5
117.03374	2.3
117.05773	1.2
117.07002	3.5
118.06525	2.6
118.07351	4.4
119.03569	1.0
119.08523	0.5
120.02035	1.4
120.04458	2.4
120.08101	9.4
120.08933	1.0
120.96531	3.0
120.97896	0.7
121.01659	0.8
121.06509	1.3
122.07156	0.8
122.08376	0.6
123.07959	1.3
130.06561	1.1
131.04924	1.6
132.08076	1.6
133.02847	6.8
133.05251	2.9
134.06012	100.0
134.09624	1.3
135.04427	13.9
135.05443	1.0
135.06361	3.0
135.08061	1.0
135.09192	0.5
136.08688	1.0
138.03148	1.7
138.98959	2.0
139.01820	1.9
144.04453	17.3
144.05540	1.6
144.06554	1.6
144.08087	1.6
145.02826	1.7
145.03856	0.6
145.05147	0.8
145.06454	1.2
145.08444	3.3
145.09702	1.1
146.06036	1.3
146.07101	0.8
146.09663	0.9
147.06752	0.6
152.95473	0.6
156.96271	1.2
161.30627	0.6
162.05498	97.8
162.09045	6.6
163.03903	36.3
163.06018	2.5
163.07516	2.0
163.09763	1.7
163.11090	1.1
163.12352	0.8
180.04477	1.3
181.02861	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03938	1.4
55.05507	5.7
65.03945	1.2
65.87104	0.3
67.05501	17.9
69.07068	6.6
70.86417	1.1
78.04702	0.4
79.05490	20.5
80.62348	0.4
81.07053	25.7
83.08618	1.3
91.05476	61.5
92.05831	1.3
93.07040	19.0
94.07362	0.4
95.04958	2.8
95.08602	9.3
103.05465	3.4
104.06198	0.6
105.07026	89.3
106.07341	2.7
107.08588	5.4
109.06506	0.5
115.05444	1.8
117.07008	10.0
118.07835	0.4
119.08575	100.0
120.08938	2.7
120.09549	0.4
121.06364	0.4
128.06226	0.5
130.07785	0.7
131.08540	5.0
132.09370	2.5
133.06499	1.0
133.10123	62.9
134.10469	2.4
143.08589	0.7
145.10097	1.0
146.03592	0.6
146.10898	1.6
159.11700	3.1
161.05923	0.7
161.09697	1.8
161.13246	68.6
162.05501	0.7
162.13583	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	161.096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.5
55.05501	1.0
56.96544	0.9
61.01608	0.5
64.51292	0.5
67.05474	0.5
69.03416	1.4
70.74162	1.6
79.05478	2.3
91.05477	7.1
93.07018	1.9
95.04954	1.0
103.05453	1.4
105.07026	27.9
106.07349	1.0
106.10469	0.6
107.04977	0.8
115.05441	2.6
117.07062	2.4
118.04099	0.7
119.08582	4.1
121.06480	4.5
128.06221	23.3
129.06572	1.5
131.04910	3.2
131.08571	2.1
132.05690	1.2
133.06494	3.9
133.10129	12.0
141.07021	0.9
143.08548	23.0
144.08879	0.9
145.06476	8.9
146.03671	0.6
146.06142	0.9
146.07262	12.1
155.05978	1.5
159.08043	5.3
161.05945	2.0
161.09608	100.0
162.09969	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	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03942	0.9
55.05512	7.4
65.03943	0.4
65.33153	0.4
65.91919	0.3
67.05493	0.5
69.07067	3.1
71.10613	1.4
78.16209	0.4
79.05499	3.3
81.07056	1.9
91.05488	12.2
92.51491	0.5
93.07043	2.0
95.04966	1.1
97.56364	0.4
103.05463	2.5
105.07034	25.6
106.07315	0.7
107.08611	2.6
113.20183	0.4
115.05461	3.1
115.88091	0.4
117.07031	3.3
118.04140	0.8
119.08582	100.0
120.08880	3.3
121.06426	1.1
121.10161	4.2
124.38129	0.5
126.49462	0.4
128.06178	0.6
131.04884	0.6
131.08572	3.6
132.09331	0.5
133.06514	3.1
133.10132	24.0
134.07143	0.5
143.08571	0.8
146.07234	0.5
146.10851	1.5
159.11687	1.0
161.05981	4.3
161.08238	1.0
161.09567	4.4
161.13264	22.7
162.13602	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.4
55.05500	0.6
56.59373	0.3
67.61110	0.3
68.39129	0.3
69.03427	2.0
77.03947	0.3
78.93130	0.3
79.05503	1.9
89.14472	0.3
91.05474	6.8
91.82879	0.3
93.07053	1.7
95.04951	1.1
98.21503	0.8
103.05476	1.6
105.07027	27.7
106.07380	0.5
107.04961	0.7
107.08568	0.7
115.05456	2.5
116.06239	0.5
117.07026	2.0
118.07764	0.6
119.04908	0.8
119.08576	4.2
121.06489	4.5
128.06219	22.7
128.84557	0.3
129.06567	1.2
131.04889	2.7
131.08534	2.7
132.05690	0.9
133.06494	2.4
133.10121	11.6
134.10468	0.8
140.47026	0.3
141.06964	1.2
142.07675	0.4
143.08557	25.8
144.08881	0.9
145.06473	8.7
146.07268	11.7
147.07535	0.4
155.06044	0.5
158.34593	0.3
159.08054	5.9
161.09608	100.0
162.05504	0.4
162.09955	5.0
170.72658	0.3
179.05708	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02372	0.4
53.03938	2.8
54.08194	0.4
55.01871	5.0
55.05503	0.7
56.96556	0.4
61.12922	0.4
63.02357	0.5
65.03929	0.9
66.04715	2.2
67.05511	0.4
69.07053	0.5
69.50205	3.0
74.06082	0.4
77.03925	0.9
78.93131	0.3
79.05489	22.7
80.05833	0.7
81.07069	0.5
87.04501	0.3
88.89618	0.3
89.03928	1.8
90.04696	4.9
91.05481	8.6
92.02621	0.7
93.04506	0.6
93.07031	0.9
95.04960	7.2
96.05322	0.3
97.02875	0.4
101.11586	0.9
102.04684	0.9
103.05461	28.5
104.05750	0.4
104.11749	0.3
105.03412	1.2
105.04527	1.2
105.07024	100.0
106.07359	2.6
107.04939	1.6
115.05451	35.3
116.05799	1.5
117.07003	2.1
118.04153	22.2
118.07761	0.3
119.01907	0.4
119.04456	0.5
119.08574	8.2
120.05582	0.8
121.06383	1.6
121.10163	0.4
128.06233	1.8
131.04932	4.5
131.08554	1.0
132.05751	1.6
133.06485	46.2
133.08521	0.9
133.10110	8.1
134.06972	1.5
143.04900	1.5
143.06039	3.4
143.08516	2.1
146.03642	1.3
146.07257	1.5
161.05980	15.9
161.08078	2.0
161.09625	6.4
161.10924	0.6
161.13248	3.8
162.05432	0.7
162.06596	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02367	0.5
53.03941	2.5
55.01872	5.2
55.05499	0.4
56.96563	0.3
63.74706	0.3
65.03938	0.7
66.04720	1.8
67.05506	0.6
69.03417	0.4
69.07055	0.5
69.94971	1.4
77.03911	0.4
79.05489	22.2
80.40240	0.3
81.07048	0.7
85.02915	0.5
89.03903	1.4
90.04697	3.9
91.05480	8.1
92.02627	0.9
92.05024	0.3
93.04513	0.3
93.07044	0.9
94.04182	0.3
95.04971	5.9
97.02912	0.3
101.11581	0.7
102.04678	0.9
103.05462	26.3
104.05758	0.8
105.03378	1.2
105.04503	1.0
105.07026	100.0
106.07349	2.9
107.04958	1.3
115.05450	31.0
116.05704	1.5
117.07008	1.5
118.04151	22.4
118.07772	0.3
119.01883	0.3
119.08572	6.5
120.05619	0.7
120.96555	0.3
121.06382	2.0
121.10129	0.4
128.06241	1.7
128.07014	0.3
131.04936	4.9
131.08568	1.0
131.18500	0.3
132.05736	1.6
132.06580	0.3
133.06487	43.5
133.10117	8.0
134.06848	1.7
134.10388	0.3
143.04913	1.9
143.06044	3.4
143.08507	2.0
144.06458	0.3
146.03644	2.0
146.07259	1.3
149.05975	0.3
161.05978	16.4
161.08130	1.5
161.09612	7.8
161.10918	0.4
161.13246	3.2
162.05363	0.4
162.06548	0.4
162.09001	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02369	0.5
53.03945	2.9
55.01866	5.2
55.05508	0.5
58.06573	0.3
58.12351	0.3
58.12643	0.3
59.70898	0.2
60.04509	0.4
65.03941	0.9
66.04716	2.2
67.05513	0.4
68.02642	0.3
68.05016	0.3
69.03416	0.3
69.07063	0.5
71.57426	0.4
71.79902	0.2
74.06091	0.3
77.03905	0.6
79.05490	22.3
80.05823	0.6
81.03408	0.4
81.07031	0.5
89.03913	1.2
90.04693	3.9
91.05481	7.0
91.38395	0.3
92.02611	1.1
93.04531	0.6
93.07030	0.8
94.04192	0.4
95.04964	6.5
97.02898	0.3
97.22796	0.2
98.97592	0.4
100.11240	0.4
101.11588	0.9
102.04696	0.9
103.05463	26.9
104.05775	1.0
105.03425	0.7
105.04539	1.1
105.07025	100.0
106.06628	0.4
106.07348	2.9
107.04961	1.6
107.08646	0.3
115.05451	31.3
116.05800	1.2
117.06995	1.0
117.19357	0.3
118.04156	21.3
119.01905	0.9
119.04504	0.4
119.08582	5.4
119.96839	0.3
120.05608	0.7
120.08112	0.3
121.06393	1.8
121.08861	0.3
128.06219	1.2
131.04930	5.0
131.08498	0.5
132.05743	1.6
133.06487	45.4
133.10124	5.0
134.05975	0.5
134.06966	2.0
143.04921	1.5
143.06049	3.6
143.08527	1.1
144.08038	0.6
145.25269	0.3
146.03621	1.1
146.07257	0.9
146.10896	0.4
161.04630	0.5
161.05983	9.5
161.07011	0.4
161.08206	1.5
161.09624	4.4
161.10867	0.3
161.13234	3.2
162.05505	1.1
162.09003	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.5
53.03945	2.9
55.01866	5.2
55.05508	0.5
58.06573	0.3
58.12351	0.3
58.12643	0.3
59.70898	0.2
60.04509	0.4
65.03941	0.9
66.04716	2.2
67.05513	0.4
68.02642	0.3
68.05016	0.3
69.03416	0.3
69.07063	0.5
71.57426	0.4
71.79902	0.2
74.06091	0.3
77.03905	0.6
79.05490	22.3
80.05823	0.6
81.03408	0.4
81.07031	0.5
89.03913	1.2
90.04693	3.9
91.05481	7.0
91.38395	0.3
92.02611	1.1
93.04531	0.6
93.07030	0.8
94.04192	0.4
95.04964	6.5
97.02898	0.3
97.22796	0.2
98.97592	0.4
100.11240	0.4
101.11588	0.9
102.04696	0.9
103.05463	26.9
104.05775	1.0
105.03425	0.7
105.04539	1.1
105.07025	100.0
106.06628	0.4
106.07348	2.9
107.04961	1.6
107.08646	0.3
115.05451	31.3
116.05800	1.2
117.06995	1.0
117.19357	0.3
118.04156	21.3
119.01905	0.9
119.04504	0.4
119.08582	5.4
119.96839	0.3
120.05608	0.7
120.08112	0.3
121.06393	1.8
121.08861	0.3
128.06219	1.2
131.04930	5.0
131.08498	0.5
132.05743	1.6
133.06487	45.4
133.10124	5.0
134.05975	0.5
134.06966	2.0
143.04921	1.5
143.06049	3.6
143.08527	1.1
144.08038	0.6
145.25269	0.3
146.03621	1.1
146.07257	0.9
146.10896	0.4
161.04630	0.5
161.05983	9.5
161.07011	0.4
161.08206	1.5
161.09624	4.4
161.10867	0.3
161.13234	3.2
162.05505	1.1
162.09003	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	0.2
58.58723	0.2
59.32978	0.2
71.21662	0.2
82.99836	0.6
89.51534	0.2
98.21500	0.5
100.02488	0.3
101.00871	9.7
102.00952	0.7
118.03493	0.3
119.01917	100.0
120.01991	6.8
121.01646	1.2
121.02372	0.5
125.02600	0.2
133.03421	0.3
136.04532	0.2
137.02953	53.5
138.03061	3.3
139.02682	0.7
142.03476	3.5
143.01855	0.2
143.03658	1.8
144.03249	0.5
156.97466	0.9
157.03477	0.2
157.05157	0.2
160.04549	1.3
161.02943	3.2
161.04674	2.2
162.03052	0.3
162.04320	0.9
174.98463	1.2
179.03999	5.1
179.05617	1.1
180.05508	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	1.9
58.99865	0.3
60.00640	0.2
60.95131	0.4
69.35742	0.2
70.37558	0.7
76.33956	0.1
82.99850	0.7
97.02843	0.2
98.01350	0.1
98.21423	0.2
98.97572	1.4
100.02463	0.4
100.97200	0.2
101.00867	11.3
102.00928	0.8
102.96864	0.2
103.00645	0.3
105.07004	0.3
116.98626	1.4
118.03483	0.6
119.01911	100.0
119.98763	0.4
120.01987	7.0
120.97943	0.3
121.01634	1.9
121.02342	0.2
130.85281	0.1
131.01958	0.2
133.03389	0.3
134.99675	1.1
136.04549	0.3
137.02946	52.1
137.99823	1.1
138.03036	3.5
138.98941	0.3
139.02579	0.4
142.03487	3.3
143.03667	1.2
144.03242	0.5
153.00735	0.2
156.00842	0.7
156.97444	1.4
157.03455	0.2
160.04543	1.1
161.02957	2.4
161.04756	1.4
161.09595	0.2
162.04295	0.4
174.98502	2.1
177.00972	0.3
179.02559	0.2
179.03995	3.9
179.05565	0.4
179.99071	0.6
180.04141	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	160.1333
Annotation	3-aminooctanoic acid
Peak:m/z	Relative Intensity
56.05034	0.2
57.05800	0.2
58.06599	2.9
58.58001	0.1
59.06117	0.2
69.07069	10.7
69.86268	0.4
69.86662	0.3
70.06570	0.7
70.07371	0.2
71.07378	2.2
72.08149	1.6
78.85307	0.1
81.47351	0.1
82.06586	0.2
83.37093	0.1
83.43101	0.1
85.23642	0.1
85.92545	0.1
100.11258	100.0
101.10964	0.3
101.11584	2.3
105.07032	0.3
116.98643	0.1
117.24603	0.1
118.96760	0.4
126.13583	0.2
133.06480	0.2
142.08557	0.1
151.98737	0.1
154.96468	0.2
160.13330	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.01867	1.5
55.05509	3.2
56.05032	0.8
56.05859	0.3
56.96563	4.8
57.03436	2.9
58.06600	3.2
58.99849	0.5
59.04992	1.3
60.08167	0.5
60.95846	0.5
61.02920	1.6
63.55088	0.2
67.04240	1.1
68.05049	0.3
69.03427	4.9
69.07070	1.6
69.84007	1.7
70.06586	3.3
70.99857	0.4
71.01367	0.4
71.04993	2.5
72.04503	0.3
72.08146	1.2
73.02920	2.8
74.06075	0.5
75.04465	0.3
75.18764	0.3
77.00883	0.6
79.05500	0.4
80.05025	0.3
81.01904	0.4
81.03422	3.7
82.06578	42.4
83.04978	1.4
83.06910	1.0
84.08112	0.4
84.96039	0.4
85.02907	4.6
86.06060	0.6
87.01911	0.4
87.04469	1.2
88.02690	1.2
88.07632	10.0
89.00772	0.3
89.03474	1.1
91.03195	0.4
92.01318	0.3
94.02708	0.8
95.03453	0.8
95.94150	0.3
96.02419	0.8
96.08129	5.0
97.02879	11.0
98.03284	0.3
98.03976	1.2
98.97585	2.1
99.02020	0.4
99.04456	1.0
100.02661	0.5
100.07613	100.0
101.00871	4.0
101.03455	0.4
101.06011	1.5
101.07934	2.1
102.02401	0.8
102.05541	1.1
102.96914	0.3
103.02443	1.7
103.03127	0.6
107.03423	0.4
108.04234	0.8
109.02953	1.2
110.04034	0.6
110.97556	0.5
111.02913	1.0
113.00899	0.3
113.01747	0.3
114.02447	0.3
114.05487	0.6
114.09158	9.2
115.02466	2.2
115.03170	0.5
115.03970	0.3
115.05501	0.3
116.03954	1.0
116.98593	1.8
117.02890	0.3
117.04733	0.4
117.05744	0.3
119.01916	22.7
120.02066	0.5
121.01659	0.8
121.03462	1.1
122.02298	0.3
122.03897	0.3
123.02932	0.4
123.04739	0.3
124.07590	0.4
127.03916	0.7
129.03981	2.4
131.01894	2.7
132.03436	0.9
132.08102	0.4
133.03464	12.1
134.99654	1.0
135.03200	0.3
135.05069	0.4
137.02948	8.7
137.04507	0.4
139.02481	0.3
142.03482	1.7
142.08633	5.6
143.01863	1.8
145.01678	0.4
145.03510	1.7
146.03593	0.3
146.04971	0.9
146.99620	0.4
147.05025	6.2
149.02910	0.5
151.02734	0.3
151.04543	3.0
155.01859	0.7
156.05002	0.7
157.03458	1.2
159.05040	5.6
160.04597	1.5
160.07520	1.8
160.09685	74.4
160.13197	1.4
161.01598	0.4
161.02948	3.3
161.05571	0.9
161.06892	0.3
161.10051	2.2
163.02692	0.5
163.04547	0.6
165.06125	1.0
171.05006	1.0
173.02937	1.1
175.04536	1.0
177.06079	2.8
178.05659	0.5
179.03996	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0969
Annotation	Methyl 4-hydroxypiperidine-2-carboxylate
Peak:m/z	Relative Intensity
53.03947	1.7
55.01867	1.5
55.05509	3.2
56.05032	0.8
56.05859	0.3
56.96563	4.8
57.03436	2.9
58.06600	3.2
58.99849	0.5
59.04992	1.3
60.08167	0.5
60.95846	0.5
61.02920	1.6
63.55088	0.2
67.04240	1.1
68.05049	0.3
69.03427	4.9
69.07070	1.6
69.84007	1.7
70.06586	3.3
70.99857	0.4
71.01367	0.4
71.04993	2.5
72.04503	0.3
72.08146	1.2
73.02920	2.8
74.06075	0.5
75.04465	0.3
75.18764	0.3
77.00883	0.6
79.05500	0.4
80.05025	0.3
81.01904	0.4
81.03422	3.7
82.06578	42.4
83.04978	1.4
83.06910	1.0
84.08112	0.4
84.96039	0.4
85.02907	4.6
86.06060	0.6
87.01911	0.4
87.04469	1.2
88.02690	1.2
88.07632	10.0
89.00772	0.3
89.03474	1.1
91.03195	0.4
92.01318	0.3
94.02708	0.8
95.03453	0.8
95.94150	0.3
96.02419	0.8
96.08129	5.0
97.02879	11.0
98.03284	0.3
98.03976	1.2
98.97585	2.1
99.02020	0.4
99.04456	1.0
100.02661	0.5
100.07613	100.0
101.00871	4.0
101.03455	0.4
101.06011	1.5
101.07934	2.1
102.02401	0.8
102.05541	1.1
102.96914	0.3
103.02443	1.7
103.03127	0.6
107.03423	0.4
108.04234	0.8
109.02953	1.2
110.04034	0.6
110.97556	0.5
111.02913	1.0
113.00899	0.3
113.01747	0.3
114.02447	0.3
114.05487	0.6
114.09158	9.2
115.02466	2.2
115.03170	0.5
115.03970	0.3
115.05501	0.3
116.03954	1.0
116.98593	1.8
117.02890	0.3
117.04733	0.4
117.05744	0.3
119.01916	22.7
120.02066	0.5
121.01659	0.8
121.03462	1.1
122.02298	0.3
122.03897	0.3
123.02932	0.4
123.04739	0.3
124.07590	0.4
127.03916	0.7
129.03981	2.4
131.01894	2.7
132.03436	0.9
132.08102	0.4
133.03464	12.1
134.99654	1.0
135.03200	0.3
135.05069	0.4
137.02948	8.7
137.04507	0.4
139.02481	0.3
142.03482	1.7
142.08633	5.6
143.01863	1.8
145.01678	0.4
145.03510	1.7
146.03593	0.3
146.04971	0.9
146.99620	0.4
147.05025	6.2
149.02910	0.5
151.02734	0.3
151.04543	3.0
155.01859	0.7
156.05002	0.7
157.03458	1.2
159.05040	5.6
160.04597	1.5
160.07520	1.8
160.09685	74.4
160.13197	1.4
161.01598	0.4
161.02948	3.3
161.05571	0.9
161.06892	0.3
161.10051	2.2
163.02692	0.5
163.04547	0.6
165.06125	1.0
171.05006	1.0
173.02937	1.1
175.04536	1.0
177.06079	2.8
178.05659	0.5
179.03996	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0969
Annotation	3-Hydroxystachydrine
Peak:m/z	Relative Intensity
55.01872	0.2
55.05509	0.3
56.05035	0.9
56.96557	0.9
57.03422	0.5
58.02977	0.2
58.04082	3.1
58.06588	0.7
58.51229	0.2
59.06120	0.9
59.93107	1.6
60.04519	0.8
67.05503	0.3
68.05020	0.5
69.03415	0.5
70.06587	2.9
70.17681	0.5
70.18092	0.4
71.04974	0.3
71.06919	0.2
72.04515	15.9
72.08154	1.4
73.04853	0.3
74.06071	0.4
77.94139	0.4
78.48392	0.2
79.05488	0.3
81.03400	0.2
81.05788	0.2
82.06578	0.8
83.06123	0.3
84.04491	0.5
84.08131	0.6
85.02901	0.4
85.07661	0.2
86.06065	0.6
88.03998	0.3
88.07629	0.7
91.05471	0.6
93.04583	0.2
95.95181	0.3
96.04475	0.3
96.08122	1.1
97.02881	0.5
97.07681	0.2
98.06056	0.7
98.09690	100.0
98.97578	0.4
99.05563	0.2
99.09422	0.3
99.10011	2.6
100.03963	0.4
100.07600	1.3
101.00876	0.6
101.07136	0.5
102.05553	0.3
105.07058	1.1
113.02388	0.2
114.05515	0.8
114.06628	0.2
114.09150	2.2
115.05447	0.8
116.98598	0.7
117.05746	0.4
117.98940	0.2
118.05013	10.3
118.06532	0.9
118.96763	4.2
119.01917	6.4
119.08585	0.3
120.05693	0.3
121.06400	0.3
125.07070	0.3
130.06549	0.3
132.04411	0.3
132.08051	1.2
133.04988	0.2
133.06497	0.6
133.10117	0.5
133.99062	0.3
134.99669	0.6
136.02725	0.2
136.04582	0.4
137.02959	3.7
142.03464	1.2
142.08640	5.3
143.08167	0.5
150.95712	0.6
154.96504	1.7
160.04634	1.3
160.07326	6.0
160.09685	74.9
161.05989	0.4
161.10075	2.7
172.97495	0.4
177.44292	0.2
177.98056	0.3
178.05583	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0757
Annotation	2721-59-7
Peak:m/z	Relative Intensity
51.11240	0.8
52.55817	0.8
53.03961	0.8
53.94439	0.8
55.01871	3.5
56.05029	1.2
56.96561	5.4
58.04087	15.6
59.06121	1.9
59.93102	1.6
64.12833	0.8
66.45127	0.8
69.03431	1.1
70.06600	1.7
71.57695	1.3
72.04517	72.4
72.08145	1.7
73.04833	1.0
79.05489	14.0
84.05658	1.2
84.08152	1.4
85.02912	1.1
86.06059	1.0
88.07645	1.1
91.05478	9.1
92.06274	2.2
95.04975	2.7
96.08138	1.5
98.09703	3.3
98.97594	3.7
100.07629	2.6
101.00880	5.2
103.05470	12.2
105.07032	100.0
106.07386	3.4
106.46230	0.8
107.05000	1.1
108.88190	0.9
114.09196	2.9
115.05457	37.5
116.98621	2.7
117.05775	7.3
117.07021	17.9
118.03593	3.4
118.05019	56.6
118.06553	3.9
118.96761	5.4
119.01925	50.0
119.04990	1.3
120.02045	1.8
120.05731	28.7
121.01670	1.8
121.06531	2.0
121.52119	0.8
126.08989	0.8
130.06589	2.0
131.04987	1.6
131.06029	1.0
131.07414	0.8
132.08090	65.7
133.06493	83.9
134.06862	2.4
134.99713	2.1
136.02754	1.4
136.04582	2.3
137.02972	25.4
142.03496	13.0
142.06534	3.7
142.08696	1.1
143.03711	1.1
143.04913	1.2
143.07283	1.0
144.08127	1.1
146.06071	1.0
151.07565	8.1
154.02374	0.9
154.96568	1.9
159.06844	3.1
160.04607	15.7
160.07516	61.0
160.09579	9.3
160.60257	1.0
161.03012	1.8
161.05994	2.0
161.07886	1.7
178.04280	0.8
178.05577	4.9
179.04109	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.61243	0.5
71.56972	1.0
82.99806	1.1
101.00867	12.8
118.03514	4.0
118.96809	0.5
119.01917	100.0
120.02011	2.1
120.03269	0.5
121.01671	1.3
124.02440	1.3
133.03358	0.5
136.02693	1.2
136.04546	3.3
137.02954	53.9
138.03197	0.6
142.03497	24.2
143.03671	1.7
160.04556	29.4
161.02966	2.2
161.04605	0.9
165.05020	0.6
178.04103	0.4
178.05600	10.9
179.03981	4.0
179.05475	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1168
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
51.79871	0.3
52.11771	0.3
53.03942	0.6
54.30111	0.3
55.05501	0.6
56.96565	1.5
57.07069	0.7
59.93126	0.4
65.03950	0.8
67.05501	3.7
68.76169	0.3
69.94633	0.9
69.95048	1.2
76.93365	3.2
79.05492	2.6
81.07069	1.2
85.84620	0.4
91.05476	23.8
92.05828	0.7
93.07040	1.0
94.94406	1.0
98.97586	1.7
100.07594	0.5
103.05476	1.5
105.07027	26.8
106.07336	0.8
113.02406	0.5
115.05450	8.4
116.06229	4.4
116.98640	1.7
117.07013	42.1
117.95975	2.3
118.07352	1.2
118.96779	1.2
119.08574	12.3
120.08938	0.6
128.06212	1.9
129.06999	26.3
130.07787	26.0
131.08562	100.0
132.08067	0.4
132.08926	4.5
134.99655	1.3
135.97034	1.9
139.11937	0.4
141.01826	0.6
142.07745	2.6
143.08562	2.3
144.09335	26.5
145.09692	1.4
153.00751	0.4
153.96750	0.6
157.10123	5.0
159.08212	1.7
159.11682	99.6
160.12030	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	159.1168
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03931	0.8
54.46926	0.6
56.96339	0.8
56.96565	7.6
58.04081	1.0
59.60893	0.6
59.93097	2.1
65.35101	0.5
66.67674	0.5
67.05482	3.0
70.06578	1.2
70.81316	0.6
71.58347	1.0
71.95256	0.9
72.04506	5.3
73.95674	1.1
76.05124	1.2
76.92900	0.9
76.93359	9.9
77.03914	0.6
77.94150	1.2
79.05475	1.6
81.07074	0.7
82.06557	0.8
84.07613	0.5
85.02912	0.9
87.00801	0.6
90.38416	0.5
91.05476	16.3
92.05782	0.8
94.94411	3.8
98.97591	6.9
100.07615	1.4
103.05448	1.6
105.07023	18.6
114.05511	0.8
115.05457	6.2
116.06248	5.8
116.98621	11.8
117.05773	1.0
117.07030	15.0
117.95975	8.5
118.05032	3.3
118.06570	4.2
118.96763	4.7
119.04919	0.7
119.08578	18.8
120.08911	1.2
127.78490	0.6
128.06221	3.9
128.50830	0.6
129.07007	26.1
130.06493	0.9
130.07756	4.8
131.04895	1.5
131.08568	36.4
132.08073	1.6
132.08928	1.1
134.99663	15.1
135.00702	1.2
135.97025	6.4
135.99979	1.0
141.01802	3.3
141.06972	4.1
142.07777	2.3
143.08586	3.4
144.05721	7.6
144.09344	44.7
145.06482	1.5
145.09688	2.0
150.95705	0.7
153.00682	4.4
153.96692	2.4
154.96442	1.9
157.10165	3.8
158.01254	2.2
159.06970	1.6
159.08070	24.0
159.11684	100.0
160.07329	2.2
160.08568	1.2
160.09741	1.0
160.12036	3.8
169.07617	0.9
176.98384	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0917
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
53.03956	0.9
54.03474	1.1
56.05034	6.3
56.96565	11.1
56.96803	0.8
57.03428	0.9
58.04100	2.2
58.06617	1.0
59.03755	0.7
59.06125	4.0
59.93127	2.2
60.04535	1.3
67.05509	1.1
68.05051	1.2
69.03435	0.9
69.25938	8.4
70.02956	1.1
70.06591	10.2
71.06131	1.1
71.06923	9.9
71.95255	1.2
72.04519	13.6
72.66281	0.8
73.95707	1.2
74.02460	0.8
74.06100	0.9
75.93652	1.1
76.03983	1.0
76.05130	5.3
76.93372	1.3
77.94171	1.3
79.05522	1.2
80.05024	0.7
81.03440	0.8
82.06588	0.7
83.04988	0.8
83.06120	1.8
84.04524	3.0
84.08147	0.9
85.02924	1.8
86.06057	1.1
86.09705	1.2
88.03992	0.9
91.05501	2.6
94.27910	0.7
94.94451	0.8
95.04980	1.0
95.06102	2.6
95.95211	0.9
96.04518	1.4
98.21542	1.6
98.97581	15.2
99.04473	1.1
99.05577	2.6
100.04022	0.8
100.07634	1.8
102.05527	2.4
103.05469	2.6
105.07028	26.3
112.07611	1.5
113.02354	2.0
113.05918	0.8
113.07142	4.1
113.07953	3.4
114.05511	1.4
114.09193	1.0
115.05455	30.9
116.07074	1.1
116.97284	1.5
116.98617	20.5
117.01879	1.1
117.05762	28.7
117.06525	1.4
117.07453	1.6
117.96000	0.9
117.97601	1.1
117.98965	0.9
118.05035	9.3
118.06551	14.5
118.96747	8.7
119.01902	3.5
119.07320	86.0
120.07679	2.0
129.05582	0.8
130.06540	5.2
131.04915	2.2
131.07317	1.2
131.08556	2.8
132.08086	100.0
132.95822	0.7
133.08415	2.7
134.98628	1.5
134.99657	25.8
135.99979	1.3
137.02951	1.4
141.01801	3.9
141.06558	2.7
142.03500	1.4
142.04912	0.8
142.06506	10.0
145.03383	0.7
153.00710	6.5
153.96727	2.2
154.96460	3.0
158.01227	1.5
159.07817	3.5
159.09155	71.4
159.11455	2.3
160.04605	1.4
160.07339	5.5
160.09621	4.8
178.05644	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0812
Annotation	2-Hydroxyethylclavam
Peak:m/z	Relative Intensity
53.03938	0.9
55.01622	0.6
55.01874	7.9
55.05510	2.3
56.05040	3.1
56.96294	0.8
56.96565	13.9
57.03434	2.4
57.04554	0.6
57.07066	1.7
57.93568	8.7
58.02955	1.0
58.06588	1.7
59.06120	3.8
60.04531	2.9
61.02936	0.4
62.06077	1.2
66.74391	0.4
67.05500	2.4
68.05040	3.0
68.91490	0.4
69.03424	4.2
69.06770	0.4
69.07069	4.7
69.44557	3.6
69.92359	0.4
70.02946	0.6
70.06593	49.2
70.62122	0.4
70.95867	0.7
71.04986	1.5
71.06104	0.8
71.06927	0.8
71.95256	1.7
72.04502	1.6
72.08154	4.5
72.93786	0.9
73.02905	0.8
73.04014	0.4
74.06065	1.0
74.93857	0.5
75.05602	1.0
75.55960	0.3
75.93621	0.5
75.94601	3.4
76.03991	0.6
79.05486	1.2
80.05007	0.9
81.03419	3.0
81.04534	1.1
81.05795	2.1
81.07048	1.0
82.06567	1.2
83.04980	0.5
83.06101	3.5
84.04502	10.3
84.05271	0.4
84.08147	2.2
85.02880	2.1
85.07667	0.6
86.06068	5.5
86.08434	0.4
86.54200	0.4
87.04462	9.2
87.05608	2.1
88.03975	0.4
89.03909	0.7
90.04688	1.6
90.94766	0.4
91.05463	0.6
92.27544	0.4
93.95645	2.2
94.06565	27.3
94.94431	0.4
95.04979	2.3
95.06081	2.8
95.06812	0.7
95.07353	6.9
95.08620	0.5
96.04493	29.8
96.07555	0.6
96.08131	9.6
97.02886	1.0
97.06509	0.6
97.07634	0.8
98.06055	33.6
98.09693	0.6
98.96187	1.1
98.97580	17.4
99.04478	2.5
99.05579	4.2
99.06326	0.7
99.09131	0.4
100.07630	1.2
101.00838	0.6
101.07127	0.4
102.05542	1.3
102.09184	1.6
103.05468	1.2
105.07011	1.3
109.02937	0.4
110.06018	0.8
110.07168	0.9
111.05550	0.8
111.07995	0.5
111.54946	1.3
112.07611	14.5
112.11252	1.2
112.55746	24.2
113.02381	0.5
113.05936	4.6
113.07125	1.1
113.07851	0.4
114.05529	24.4
115.05432	0.9
116.07088	7.5
116.08013	0.6
116.08157	0.5
116.97243	24.0
116.98603	26.7
117.01987	0.4
117.05746	1.9
117.06581	0.8
117.54948	0.8
118.03495	0.6
118.06530	0.7
119.01908	3.3
119.07327	4.4
120.08242	0.4
122.06032	8.4
123.05524	0.7
126.55490	2.8
127.05643	0.6
128.07091	0.5
130.06540	4.7
131.01868	0.8
131.04913	1.3
131.07005	0.4
131.08514	0.9
131.99542	1.6
132.08084	4.1
133.07040	2.2
134.01315	0.5
134.03003	2.6
134.05966	0.5
134.99658	39.5
135.05098	0.6
135.06802	3.2
135.56946	0.5
137.02948	1.6
137.04683	0.4
138.05467	2.0
139.98833	0.9
140.00197	0.9
140.07062	100.0
140.10655	3.5
141.01778	0.8
141.06529	1.1
141.07516	2.7
141.08986	0.5
141.10146	0.6
145.03450	0.9
147.04985	0.5
148.96181	3.2
149.01265	0.5
149.06573	0.8
150.96925	0.4
152.04083	0.9
152.96902	9.1
153.00716	9.4
153.96732	1.1
158.01314	2.5
158.06004	2.0
158.08127	25.2
158.09599	13.6
158.11613	3.2
158.12894	0.6
158.15396	3.2
159.04533	0.4
159.07732	0.6
159.09190	2.4
159.11566	0.6
161.02960	0.7
162.46342	0.4
163.04515	0.8
170.97997	2.6
175.98549	1.5
176.02342	0.5
178.07704	0.8
179.08514	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07918	0.4
53.03929	0.8
54.98634	0.4
55.01863	0.9
55.05501	0.7
56.05044	0.8
56.96566	36.5
57.03428	0.9
57.93569	3.3
61.02918	0.6
67.05491	1.2
68.05054	0.5
69.03427	2.1
69.07087	0.6
69.57928	3.4
70.02945	0.7
70.06584	6.1
71.01366	0.5
71.04997	0.7
71.95271	4.6
72.04516	0.5
72.08147	0.8
73.02917	0.7
74.06079	0.5
74.97604	0.6
75.94601	1.4
81.03441	2.2
82.06590	1.5
83.04987	0.7
83.06115	0.7
84.04494	0.6
84.08147	1.3
84.96045	0.8
85.02924	2.8
87.04472	0.6
87.05595	0.5
93.95651	0.7
95.52359	1.0
97.02898	1.7
97.96751	0.5
97.99170	0.9
98.01274	0.6
98.06078	2.9
98.09683	2.3
98.97584	89.2
99.04440	0.6
99.22920	0.4
99.97900	1.1
100.07592	0.7
101.00850	1.1
103.05454	0.9
104.52895	1.6
109.02885	1.1
110.97557	1.2
112.07600	1.8
112.55699	0.7
115.97844	0.6
116.00214	1.4
116.01913	0.5
116.07101	2.3
116.97365	12.3
116.98616	100.0
117.98916	0.6
118.03516	1.5
119.01911	5.1
119.07296	1.4
121.01620	0.8
122.06038	0.4
126.00723	0.6
126.02558	0.6
127.01524	1.1
127.26116	0.5
128.98602	1.6
129.98962	0.7
130.06534	5.4
131.01930	0.9
131.04948	0.5
131.99562	0.9
134.01250	0.9
134.02977	4.3
134.04776	0.6
134.99655	83.4
135.06798	1.3
136.00107	0.6
136.04520	0.5
136.37500	0.5
137.00119	0.4
137.02956	2.3
139.02756	0.6
140.00211	2.3
146.99661	2.5
147.99976	0.9
149.01245	0.7
152.04030	0.7
152.05824	0.6
152.96906	4.1
152.99467	1.0
153.00702	15.0
154.01747	0.7
158.01265	4.3
158.06049	1.7
158.08157	1.0
158.09605	3.9
158.11768	1.1
158.15375	1.2
161.01112	0.8
167.54459	0.8
170.01280	0.6
170.97987	1.3
172.02824	4.3
176.04089	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98630	1.0
56.28528	0.8
56.96563	30.1
66.31521	0.8
71.34561	1.4
71.95268	4.1
77.00903	1.0
79.55817	0.7
96.38338	0.7
96.50506	1.0
98.21028	0.9
98.97579	97.1
99.33916	1.1
101.00867	2.3
116.01910	0.7
116.98615	100.0
117.99046	1.1
118.03491	3.9
119.01910	16.1
120.02007	1.6
121.01673	4.2
127.00788	1.5
134.02956	6.5
134.04768	4.3
134.99654	75.0
136.00090	2.2
137.02942	4.6
139.02588	0.8
140.00204	2.4
143.64453	0.8
149.03545	1.4
152.03992	1.5
152.05852	4.2
153.00703	14.3
154.01158	1.5
158.01230	3.5
158.09654	2.5
176.02393	0.9
176.05858	2.0
178.34038	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0769
Annotation	L-Histidine
Peak:m/z	Relative Intensity
51.85082	0.1
55.01862	0.2
55.05517	0.2
55.93519	0.1
56.05035	1.3
56.96560	0.4
67.05504	0.1
68.05031	1.0
70.06595	1.8
70.74512	0.3
70.95871	1.4
72.04511	0.1
72.08167	0.2
72.93789	1.3
73.02898	0.2
74.09729	0.3
77.00914	0.3
81.04540	1.1
82.05318	2.7
82.06581	0.3
83.06102	13.0
83.83102	0.1
84.06431	0.2
84.08113	0.2
86.09716	0.2
88.96893	0.5
90.94823	0.4
93.04527	8.8
94.04898	0.2
95.06087	7.7
97.07619	0.1
98.06055	0.4
100.00129	0.1
100.02490	1.1
101.00854	0.8
101.02580	0.2
103.02454	0.2
103.27741	0.1
108.95866	0.2
110.07162	100.0
111.05563	0.8
111.06857	0.3
111.07505	2.0
111.98468	0.5
112.08725	0.3
115.02450	0.2
115.08701	0.2
118.01150	0.4
118.03530	1.1
119.01920	7.6
120.01993	0.7
121.01662	0.4
121.03506	0.2
129.99529	0.4
130.06316	0.4
131.01900	0.4
131.10980	0.1
132.01985	1.0
132.05057	1.0
132.95821	0.9
133.01672	0.9
133.03459	1.6
133.05119	0.2
136.02168	0.2
137.02951	3.8
138.03049	0.4
138.05504	0.3
142.01137	0.1
142.03493	3.0
143.03787	0.2
147.03781	0.2
150.03085	0.4
150.06120	0.8
150.96887	3.8
151.02672	0.3
151.04555	0.6
151.06204	0.2
155.97423	0.2
156.01959	0.1
156.03056	0.3
156.04167	1.7
156.06570	0.3
156.07680	5.7
156.10211	0.3
157.03459	0.2
160.02299	0.3
160.04547	1.2
165.04973	0.3
168.98001	0.2
173.98415	0.2
174.06102	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	1.5
68.05016	1.7
69.78144	3.7
70.06596	5.0
70.06933	0.8
74.09718	9.5
81.04557	0.9
82.05322	3.5
82.06583	1.0
83.06103	14.2
84.04485	0.7
93.04517	8.7
94.04877	0.5
95.06084	8.7
96.96922	1.2
98.21428	0.9
104.24065	0.6
110.02412	1.2
110.07162	100.0
111.05525	0.7
111.07492	1.5
112.08739	0.8
119.01883	2.7
130.06303	8.9
131.01877	0.8
132.02020	1.1
132.05031	1.4
133.01628	1.2
133.03494	1.4
138.05449	0.9
143.64093	0.5
150.06067	1.1
156.04201	36.1
156.07684	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.3
55.01864	0.8
55.83635	0.2
55.93525	0.9
56.05029	0.4
56.96564	12.0
57.03434	0.9
58.99864	1.0
60.00654	0.3
60.95846	0.4
61.02917	0.3
61.31078	0.2
67.05537	0.3
69.03426	0.8
69.76119	1.2
69.76526	0.5
70.95861	12.7
70.98114	0.3
70.99841	0.3
72.08170	0.6
72.93787	10.7
72.94199	0.5
73.02911	0.8
74.97619	0.4
77.00922	0.9
78.52976	1.1
79.03025	0.3
81.03391	0.6
81.07043	0.3
82.01437	0.4
82.05333	0.2
82.06546	0.3
82.99873	0.7
83.06113	1.4
84.01588	0.3
84.08147	0.3
84.99281	0.4
85.02901	0.6
85.07664	0.3
86.06089	0.2
86.52712	0.3
88.02585	0.2
88.03543	0.4
88.96896	3.9
89.00883	0.6
90.94819	2.5
92.52710	0.3
93.02110	0.3
93.04524	0.9
95.01333	0.6
95.01928	0.4
95.06087	1.0
97.02862	0.4
97.96810	0.3
98.97556	1.4
100.00111	0.4
100.02492	4.3
101.00873	11.4
101.02572	0.8
101.53200	0.5
102.00983	0.4
102.02280	0.6
103.02443	2.6
106.97952	0.8
107.53204	0.6
108.95877	0.6
109.03525	0.3
110.06075	1.5
110.07162	12.4
110.09675	0.6
110.97580	0.9
111.05552	0.3
111.98470	3.8
113.00874	0.3
113.07101	0.3
113.96413	0.9
114.04021	1.1
115.02425	1.8
115.97893	0.3
116.98618	1.3
117.01829	0.4
117.03975	0.3
118.01136	1.5
118.03511	3.8
119.01917	100.0
120.01980	5.5
120.03284	0.4
121.01649	0.6
121.02522	0.2
121.03490	1.9
122.13947	0.3
124.02477	1.4
128.98610	2.6
129.99501	2.3
130.01733	0.2
131.01892	2.7
131.97417	0.5
132.01985	3.1
132.05060	9.8
132.95818	10.2
133.01715	2.8
133.03468	14.8
133.05168	1.1
134.03587	0.7
134.04799	0.3
134.99667	1.0
136.02193	0.4
137.02950	50.6
138.03029	2.4
138.05487	0.9
138.09181	0.3
139.06505	0.3
141.02713	0.6
142.01143	0.9
142.03493	36.6
143.03606	2.0
145.03445	0.5
146.99635	4.4
147.03752	1.6
147.04990	0.6
148.02824	0.5
149.01172	0.5
149.02940	0.6
149.97137	0.4
150.03093	0.8
150.06110	5.7
150.96878	27.9
151.02676	0.8
151.04524	5.8
151.06227	1.2
151.97144	0.5
152.05876	0.3
154.03442	0.3
155.06731	0.3
155.97429	1.1
156.03218	0.4
156.03882	0.3
156.05066	2.5
156.06435	0.4
156.07681	0.7
156.10176	0.6
157.03450	0.6
160.02206	1.3
160.04556	15.7
160.97621	0.6
161.02962	0.4
161.04660	0.8
165.00728	1.0
165.04999	3.1
168.97940	1.6
173.98482	1.9
174.04552	0.5
174.06110	6.0
174.99130	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.143
Annotation	4,6-Dimethyl-4-octen-3-one
Peak:m/z	Relative Intensity
53.03947	1.5
55.01875	1.1
55.05507	7.8
55.93521	1.6
57.03433	0.9
57.07074	100.0
58.07397	1.5
59.05002	22.0
59.72831	0.6
65.03931	0.9
65.72631	0.6
67.05507	6.2
69.03428	2.1
69.07069	17.9
69.96153	0.9
70.27423	0.6
70.87447	1.3
70.87814	1.5
70.95861	12.5
70.96224	1.0
71.04999	2.7
71.08643	2.0
72.04514	1.0
72.08145	0.6
72.93788	43.2
73.93822	0.9
76.85018	0.5
79.05504	1.6
81.03431	2.2
81.07056	12.2
83.04974	4.7
83.08638	2.6
85.02950	0.7
85.06559	2.8
88.96890	4.6
90.94823	11.0
91.05501	0.7
93.07065	1.0
95.04966	5.7
95.08605	13.8
95.09160	1.0
97.06545	0.9
97.10168	3.8
98.07173	1.0
98.98483	3.4
99.04485	1.9
99.08099	1.8
108.95888	1.9
109.02879	4.1
109.06545	1.9
109.10136	3.8
110.07205	1.1
111.04433	5.4
111.11749	1.0
111.98471	4.5
112.08762	1.1
113.06013	3.2
113.96400	12.6
113.97141	0.8
123.04423	1.7
127.03922	4.9
127.07573	1.6
129.99554	1.9
131.96353	1.2
131.97432	11.7
132.95813	9.4
132.96646	0.6
137.02357	1.2
137.06026	0.7
137.09677	0.7
137.13255	8.6
140.04747	1.2
149.97264	2.0
150.96887	29.6
154.99049	1.0
155.03433	3.6
155.07086	8.5
155.08586	2.2
155.10672	1.3
155.13048	1.4
155.14287	11.7
155.97522	1.9
168.98010	1.7
173.98560	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0338
Annotation	neopatulin
Peak:m/z	Relative Intensity
53.03945	2.0
55.01867	1.3
55.05507	4.6
55.93518	2.1
56.96565	2.7
57.03419	0.9
57.07060	0.5
65.03937	3.7
67.01860	2.3
67.05501	4.1
68.05022	0.4
68.67251	0.4
68.99786	13.1
69.03425	4.6
69.07083	0.5
69.96176	1.4
70.95863	13.5
71.01347	3.1
71.04993	2.3
71.58190	0.7
71.94100	0.6
72.04518	0.6
72.08154	1.1
72.93785	81.9
73.02927	0.7
73.93840	0.5
79.05504	0.9
81.03413	15.4
81.07048	2.5
82.03724	0.5
82.06575	0.9
83.04977	9.2
84.02126	0.6
84.04494	0.8
84.08144	0.7
85.02904	2.6
85.06522	1.2
88.96901	7.5
89.02391	0.9
90.94822	30.6
91.05465	0.8
93.03429	0.6
93.07027	1.0
95.04964	7.9
95.06137	0.4
95.08590	2.3
96.04525	0.6
96.05660	0.5
97.06557	0.5
98.07167	0.8
98.98470	7.0
99.04450	5.9
100.94315	0.5
105.04551	0.5
106.97942	1.7
108.95855	12.1
109.02876	14.1
109.06517	1.5
109.10136	2.4
110.02420	1.2
110.06026	0.9
110.07158	3.4
111.04441	8.3
111.98470	5.0
112.01569	1.1
112.04710	0.5
112.08728	1.5
113.02270	0.4
113.05998	5.3
113.06729	0.6
113.07094	0.5
113.08263	0.9
113.96394	29.6
114.06635	0.6
123.04448	2.1
125.02349	0.6
127.03909	39.6
127.07532	2.9
128.04228	0.9
129.05458	1.4
129.99501	4.4
131.97432	45.6
132.05048	1.2
132.95831	9.1
132.97810	0.7
137.02382	3.1
137.05931	1.5
137.09590	0.6
138.06599	1.0
140.04619	1.7
149.97191	4.0
149.98465	1.4
150.00708	0.7
150.06134	0.6
150.96878	38.6
153.01851	10.9
153.06949	0.4
154.99048	6.3
155.03386	100.0
155.07013	13.5
155.08369	2.0
155.12886	1.6
155.97424	2.3
156.03796	2.7
156.10269	0.4
168.97929	2.9
173.98491	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	155.0338
Annotation	neopatulin
Peak:m/z	Relative Intensity
52.37018	0.5
53.03935	2.6
55.01871	1.1
55.05510	4.8
55.93520	1.6
56.96566	0.9
57.03428	1.3
57.07075	4.0
64.06561	0.5
65.03932	1.7
67.01854	1.9
67.05497	5.4
68.33970	0.5
68.99790	11.0
69.03426	3.4
69.07056	1.9
69.96159	0.7
70.79115	0.5
70.95863	8.8
71.01341	2.1
71.04996	3.6
71.58483	0.7
72.04502	0.7
72.08168	0.8
72.93786	48.6
73.02914	0.6
74.17503	0.6
79.05482	0.7
81.03416	17.4
81.07062	4.5
82.06585	0.6
83.04977	5.9
85.02902	2.5
85.06549	3.2
88.96908	2.8
89.02331	0.6
90.94264	1.1
90.94821	14.3
93.07043	1.6
95.04965	8.4
95.08614	4.3
97.06520	0.9
98.07159	0.8
98.98476	8.9
99.04447	4.9
101.27164	0.5
104.93403	0.6
108.95861	4.7
109.02876	13.2
109.06480	1.0
109.10135	3.1
110.06035	0.6
110.07146	1.2
111.04432	6.5
111.08064	1.1
111.98478	2.8
112.08712	2.4
113.06011	4.4
113.96391	17.0
114.10336	0.7
119.84040	0.5
123.04420	2.2
127.03912	43.2
127.07536	2.3
128.04236	1.1
129.99525	2.6
131.96378	1.2
131.97427	20.3
132.95834	5.7
137.02321	3.1
137.05975	0.8
138.05510	1.2
138.06595	1.0
140.04695	1.6
149.97183	2.3
150.96890	22.0
150.98096	1.2
153.01855	9.2
153.06908	0.9
154.99045	2.0
155.03386	100.0
155.07025	8.7
155.08511	2.4
155.10641	0.7
155.12888	1.6
155.14154	0.6
156.03745	2.7
156.06631	0.6
156.08064	3.6
168.97948	1.2
173.98454	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.1227
Annotation	Pseudopelletierine
Peak:m/z	Relative Intensity
50.59519	0.3
53.03941	1.6
55.01858	1.2
55.05511	26.4
56.05040	2.7
56.05830	0.5
56.08507	0.5
56.96566	1.3
57.03452	0.8
57.07078	1.7
58.06592	1.0
65.03934	1.9
67.05508	7.5
68.05030	1.5
68.96346	2.9
69.03439	0.8
69.04546	0.5
69.07061	2.7
69.92910	2.3
69.96180	0.7
70.06590	7.6
70.94262	1.8
71.04993	0.6
71.07380	0.5
72.08156	16.0
72.93793	2.7
79.05487	1.1
80.01772	0.4
80.05010	1.5
81.03416	1.3
81.04532	0.5
81.07058	2.7
82.06203	0.5
82.06580	24.7
83.04980	100.0
84.04489	1.5
84.05311	1.8
84.08150	4.0
85.05241	0.4
85.06538	1.2
86.97395	0.6
87.04485	0.6
90.94838	0.6
91.05484	2.0
93.07046	0.7
94.06564	6.8
95.04971	2.4
95.07365	0.8
95.08601	0.6
96.08134	1.4
97.02931	0.4
97.06496	0.5
97.08916	0.7
98.06054	17.1
98.98463	0.6
99.04478	0.5
100.07638	2.6
105.07011	0.5
106.06559	0.4
107.07357	2.1
107.08563	0.7
108.08147	3.3
109.02889	1.3
109.06520	1.3
109.07680	0.6
109.10149	6.7
109.98953	0.7
110.06052	1.3
110.09688	1.0
111.04468	2.0
111.06847	0.5
112.01614	0.4
112.07607	6.7
112.11263	0.5
113.07941	0.4
113.96452	1.0
121.08884	1.0
124.11224	12.9
125.08340	0.4
125.11560	0.5
126.09184	0.7
126.12792	7.6
127.03944	1.3
130.96309	1.8
131.96246	1.0
131.97441	1.1
133.88023	0.4
135.63676	0.4
136.07579	1.8
136.11214	17.1
137.02330	0.6
137.05998	3.4
137.06985	0.7
137.09618	0.9
137.11592	0.6
140.04691	0.4
148.97366	6.1
149.97237	3.5
154.02142	0.6
154.04909	0.6
154.06023	0.5
154.08629	1.6
154.09723	0.7
154.12265	20.8
155.03351	0.9
155.07008	1.0
155.12624	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.01871	1.6
55.05510	29.0
56.05043	3.0
56.96566	1.7
57.03423	0.5
57.07074	1.8
58.06594	0.7
65.03941	1.3
65.20091	0.4
67.05506	7.8
68.05025	1.5
68.96337	1.9
68.99790	0.5
69.03426	0.9
69.04562	0.7
69.07065	2.8
70.06591	7.8
70.83060	1.5
70.94252	1.2
71.04981	0.9
71.07366	0.9
72.08157	14.6
72.93787	1.8
79.05493	1.1
80.05019	1.1
81.03404	1.6
81.05793	0.6
81.07051	2.0
82.06577	23.1
83.04979	100.0
84.04499	1.4
84.05322	1.7
84.08146	4.2
85.06541	0.9
87.02367	0.5
90.94839	0.5
91.05473	1.0
93.03378	0.5
93.07037	0.9
94.06558	7.0
95.04978	1.6
95.08630	0.5
96.08151	1.5
98.05415	0.9
98.06054	17.1
98.09718	0.5
98.98460	0.6
99.06410	0.8
100.07642	1.9
107.07348	2.5
108.08110	3.5
109.02898	1.1
109.06519	0.7
109.07626	1.0
109.10150	6.0
110.06037	1.8
110.09685	0.9
111.04485	2.8
111.09153	0.7
112.01620	0.5
112.04843	0.5
112.07603	5.5
112.11252	0.6
113.05983	0.7
113.96407	0.6
119.08617	0.5
120.28252	0.6
121.08893	1.4
124.10368	1.0
124.11224	13.0
126.05545	0.8
126.12782	7.4
127.03924	1.4
127.93731	0.5
130.96281	1.1
131.96054	0.7
136.07651	1.0
136.08591	0.6
136.11214	17.4
137.02319	1.9
137.03294	0.4
137.06010	1.0
137.09593	1.3
137.11552	0.5
148.97356	3.2
149.97223	2.2
154.02211	0.8
154.04973	1.2
154.06094	0.8
154.08572	0.7
154.09720	1.1
154.12262	19.4
155.03380	1.1
155.07019	1.0
155.12651	0.9
164.89056	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
54.03476	0.5
55.01868	0.6
55.05513	7.4
55.93294	0.5
56.05016	1.5
56.05820	0.5
56.93998	0.5
56.96540	0.5
57.07063	1.8
65.03931	1.5
67.05511	3.1
68.05019	1.2
68.05834	0.5
68.96314	1.2
69.03421	1.9
69.07069	1.0
69.28084	2.3
69.28510	3.6
70.06577	2.2
70.94239	0.8
71.04977	0.7
71.20966	0.5
71.94086	1.2
72.93784	13.5
79.05475	2.1
80.05050	0.6
81.03407	1.6
81.04547	0.5
81.07062	9.2
82.06559	2.3
82.63499	0.5
83.04963	2.7
83.06098	0.7
83.08607	1.2
84.04473	0.7
84.08137	1.1
87.04457	0.9
90.94846	4.1
91.05460	1.7
93.05771	1.0
93.07045	0.8
94.06567	1.2
95.04973	3.6
95.06102	0.9
95.08633	0.7
96.04482	0.9
96.08156	0.7
97.05260	3.2
97.06516	0.9
97.07652	0.7
98.06075	2.6
98.07152	0.5
98.09667	1.7
98.98455	1.7
99.04455	0.5
108.08105	4.2
108.08840	0.8
108.95849	0.9
109.02876	3.3
109.06517	8.2
109.07225	0.6
109.07642	2.3
109.08363	0.4
109.10139	2.3
110.06043	4.4
111.04435	3.0
111.06817	4.3
111.09187	1.0
112.04765	0.8
112.08768	1.3
113.05982	1.3
113.07130	0.8
113.08308	0.5
113.96407	5.2
121.06506	0.8
123.04452	1.0
124.07626	0.6
125.08380	0.7
126.09158	3.8
127.03907	2.7
127.07549	1.1
130.96283	1.1
131.96101	0.8
131.97449	5.5
136.07594	2.0
136.08580	0.6
137.02344	0.8
137.05957	1.4
137.09624	0.7
137.10716	0.6
138.05498	0.7
139.06284	5.2
139.07538	3.4
140.04700	0.6
148.97377	2.8
149.97202	2.7
152.07053	0.7
154.08624	100.0
154.12175	1.4
155.03384	1.7
155.07042	2.5
155.08997	4.0
155.10617	0.6
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	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.01865	1.1
55.05268	1.0
55.05512	15.6
56.05024	1.6
56.96297	0.7
56.96566	10.9
57.07078	0.9
58.06601	1.1
65.03947	2.6
67.05501	4.9
68.05019	1.8
68.96329	3.6
69.03416	1.4
69.07065	2.0
69.96184	4.1
70.06593	5.0
70.94270	2.7
70.94866	1.5
71.94098	2.2
72.08156	9.1
72.93789	4.0
73.02898	0.9
73.06555	0.6
79.05508	2.9
80.05006	2.4
80.05791	0.8
81.03389	2.3
81.04535	0.7
81.07060	5.6
82.06582	16.5
83.04980	49.0
84.04491	2.1
84.05300	1.3
84.08159	2.7
85.02903	0.8
85.06458	0.7
86.97344	1.3
88.95276	0.5
90.94842	1.1
91.05482	32.1
92.05800	1.0
94.04172	0.9
94.06557	4.8
95.04956	1.1
95.06075	1.1
96.08128	1.0
97.02919	1.0
97.06518	1.0
97.08900	0.6
98.06059	10.1
98.97593	1.0
100.07606	1.4
106.06519	0.8
107.04948	2.1
107.07353	1.6
108.04543	0.9
108.05295	1.9
108.08163	3.5
109.02874	2.3
109.06513	7.7
109.07648	1.3
109.10157	3.8
109.98988	1.0
110.06057	1.2
110.09673	0.9
111.04443	2.9
111.06779	0.6
111.09190	0.9
112.01583	0.6
112.04798	0.7
112.07594	5.6
113.05981	0.7
113.07098	0.9
113.96399	1.3
114.31422	0.6
116.98610	1.2
118.06551	0.6
119.04946	17.5
120.05273	0.7
121.08868	0.7
124.11229	8.7
125.06003	1.8
126.12787	3.9
127.03912	2.0
127.04977	0.7
127.99954	0.8
130.96266	3.0
131.00175	0.7
131.01904	1.3
131.96146	7.3
131.97377	1.1
131.99689	1.6
134.99615	0.8
136.04758	1.5
136.07593	6.5
136.11208	12.1
137.05978	100.0
138.06282	3.5
145.25960	0.6
148.97366	7.4
149.01233	1.4
149.06609	0.7
149.97195	18.7
150.00751	1.9
154.02199	0.6
154.04855	1.2
154.05872	1.8
154.08620	4.1
154.09724	1.5
154.12262	13.6
154.13379	0.8
154.90767	0.7
154.97682	0.8
155.03474	1.1
155.07053	2.1
155.12651	0.8
163.02794	0.7
167.98286	2.3
171.98880	0.7
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	Dopamine
Peak:m/z	Relative Intensity
53.03945	0.6
53.85614	0.2
54.93844	0.2
55.01866	0.7
55.05257	0.3
55.05507	2.5
55.24138	0.2
56.05029	0.3
56.96565	13.4
57.03432	1.3
58.06585	0.3
58.90298	0.2
59.04986	0.3
61.02926	0.5
65.03938	1.4
66.04233	0.2
67.05500	1.0
68.05034	0.5
68.96327	0.9
68.99789	0.8
69.03428	1.9
69.04557	0.3
69.05818	0.4
69.07064	0.6
69.96175	2.1
70.06605	1.0
70.94247	0.5
70.98108	0.3
71.05002	0.7
71.27870	0.5
71.94102	1.2
71.95254	0.7
72.08156	1.0
72.93790	0.8
73.02911	0.5
74.97614	0.4
79.05489	1.6
80.05023	0.5
80.05830	0.6
81.03429	1.4
81.07062	4.3
82.01836	0.3
82.06575	2.7
83.00765	0.2
83.04980	7.0
84.04491	0.4
84.08151	0.5
85.02914	2.0
85.06522	0.2
86.97368	0.2
87.04486	0.3
87.97186	0.2
88.95347	0.3
91.02334	1.3
91.05479	37.0
92.05817	1.0
94.04215	0.4
94.06570	0.9
95.04967	0.7
95.06090	0.8
95.08604	0.3
96.04572	0.4
96.05277	0.3
96.08131	0.2
97.02895	2.1
97.06530	0.6
98.06058	1.4
98.97574	1.2
99.04468	0.3
100.02833	0.7
100.99135	1.0
101.00873	0.4
107.04963	1.1
107.07339	0.4
108.04589	0.4
108.05246	1.4
108.08079	1.0
109.02869	1.2
109.05122	0.7
109.06518	6.5
109.07635	0.5
109.10160	0.4
110.01274	0.3
110.06051	0.5
110.37762	0.2
110.61523	0.2
111.04444	0.6
111.09192	0.4
112.01568	0.2
112.02860	0.4
112.07612	0.6
112.11208	0.2
113.00869	0.3
113.07140	0.4
113.98664	0.4
115.00716	0.3
116.00248	0.3
116.98646	0.4
118.03521	0.4
119.00175	0.6
119.01942	1.4
119.04940	20.6
120.05265	0.6
121.01641	0.2
121.08869	0.2
122.09679	1.3
124.07585	0.3
124.11233	1.3
125.03609	0.2
125.06004	1.3
126.07771	0.9
126.12809	0.5
127.03960	0.9
127.06142	0.4
128.02342	0.3
128.53355	0.2
130.96286	0.7
131.00240	0.9
131.01909	3.8
131.96140	3.2
131.97275	0.3
131.99741	0.9
132.05081	0.8
133.01746	0.5
133.03474	0.3
134.01295	0.3
134.99681	0.6
136.04785	1.1
136.07582	3.9
136.08534	0.2
136.11176	1.1
137.05975	100.0
137.40800	0.2
138.05353	0.4
138.06317	4.2
145.01740	0.8
146.28386	0.2
146.99649	0.2
147.03377	0.3
147.75485	0.2
148.97337	2.0
149.00108	0.2
149.01204	1.2
149.02933	1.3
149.06589	0.2
149.97202	8.8
150.00693	1.0
150.06131	0.6
151.02754	0.2
154.03554	0.3
154.04745	0.2
154.06065	1.3
154.07365	0.8
154.08629	4.9
154.09750	0.5
154.12263	1.7
154.90776	1.2
154.97870	0.2
155.03426	0.3
155.07027	0.6
155.08119	0.6
163.02806	2.1
163.06392	0.3
167.02296	0.3
167.98232	0.8
171.98923	0.2
172.98839	0.5
173.02873	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.01597	1.4
50.91025	0.6
51.02368	3.0
53.00307	1.2
53.03941	2.2
55.01864	2.5
55.05511	5.8
56.05021	0.6
56.96532	0.6
57.03405	0.6
57.07056	0.7
59.05007	3.2
65.03937	8.6
67.01864	4.6
67.05215	0.6
67.05499	6.1
68.05016	0.8
68.96317	2.3
68.99775	5.2
69.03076	0.8
69.03427	9.2
69.07056	5.2
70.06580	1.9
70.94259	3.9
70.95837	0.7
71.04991	9.1
71.57600	0.9
71.94093	1.0
72.08138	0.8
73.06558	6.7
78.03019	0.5
79.01854	29.3
79.05489	19.7
79.54546	0.5
80.02184	1.0
80.05019	1.2
81.03396	1.1
81.04552	0.6
81.07055	34.8
82.06614	0.7
82.07398	1.0
83.01333	1.9
83.04985	2.8
83.06089	0.7
83.08612	1.1
84.08120	0.7
85.02908	1.0
86.97356	0.9
88.95316	1.0
91.05482	6.1
91.28797	0.5
93.03402	1.9
93.07040	15.2
95.04976	5.5
95.06085	1.3
95.08623	2.7
97.02886	8.3
97.06514	7.0
105.04594	0.9
105.07025	1.9
107.01308	6.7
107.04950	21.3
107.08585	17.5
108.05237	0.6
109.06499	2.7
109.07637	1.4
109.10152	3.5
109.98948	0.8
110.03661	2.7
110.07178	0.7
111.00851	0.7
111.04443	13.0
111.08071	3.8
111.09201	1.3
112.08721	1.3
113.05873	1.0
119.08584	1.0
123.00780	1.2
123.04442	0.7
124.04691	0.7
125.02340	11.7
125.05974	5.0
125.09605	2.7
126.05524	1.3
126.10236	0.7
129.97910	1.2
130.96289	1.5
135.04405	8.0
135.08055	1.7
135.11678	6.3
136.05035	0.7
136.07600	0.8
136.08649	1.0
138.03130	2.2
143.03389	23.2
148.97357	4.5
151.01819	0.5
153.01825	100.0
153.02895	6.6
153.05397	6.6
153.09105	2.0
153.10194	0.7
153.11354	4.2
153.12733	3.1
153.15848	0.5
154.02174	3.8
154.04987	3.8
154.09726	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	(+)-trans-p-Mentha-1(7),8-dien-2-ol
Peak:m/z	Relative Intensity
50.01586	2.3
51.02378	5.6
53.00291	1.4
53.03938	2.9
53.93413	1.1
55.01861	3.9
55.05512	14.4
56.96559	4.3
57.03437	2.2
57.04569	1.2
57.07072	1.5
59.04990	3.9
65.03941	23.1
67.01837	2.9
67.02979	1.2
67.05509	13.4
68.05025	2.6
68.96331	5.5
68.99778	3.2
69.03420	9.1
69.07069	11.5
70.06581	3.4
70.49227	3.5
70.94257	7.8
70.95852	1.6
71.04990	13.1
71.06115	1.4
72.08141	1.7
72.64306	1.2
73.06555	8.9
79.01854	44.9
79.05489	20.5
81.04538	2.4
81.07054	38.6
82.06602	1.7
82.07372	1.5
83.04991	9.9
83.06099	2.6
83.08622	2.4
85.02869	1.2
86.97379	1.3
87.04462	1.6
88.95301	3.1
91.05481	8.3
93.03402	6.5
93.07047	22.3
94.06577	2.1
95.04958	17.4
95.06084	1.8
95.08608	8.1
97.02878	8.9
97.06518	17.4
97.07632	2.0
98.06071	2.2
99.05521	1.2
105.07052	2.1
106.96352	1.4
107.01308	11.1
107.04974	7.8
107.08589	28.7
109.06524	4.5
109.07657	4.6
109.10138	8.0
110.03667	4.7
110.06052	1.5
111.04446	35.3
111.05251	1.9
111.05579	1.8
111.08092	8.5
111.09231	2.7
111.96857	2.8
112.08738	5.8
113.05877	4.0
123.00785	1.6
123.04456	1.5
125.02357	19.3
125.05984	12.1
125.09621	2.7
126.05495	1.6
129.97908	1.9
130.96295	2.6
134.22316	1.2
135.04422	4.3
135.08040	5.4
135.11694	11.2
136.07581	6.3
136.08601	2.4
137.07092	1.9
138.03113	2.9
143.03392	35.4
144.03812	1.5
148.97348	11.0
153.01833	100.0
153.02936	9.8
153.05431	12.8
153.09164	8.4
153.11349	12.4
153.12750	10.1
154.02159	4.1
154.04999	2.5
154.08638	3.9
154.09752	2.2
167.60173	1.5
171.02957	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	(+)-PERILLYL ALCOHOL
Peak:m/z	Relative Intensity
51.02375	1.9
53.00299	1.9
53.03944	4.4
55.01859	5.2
55.05511	29.5
56.96561	2.4
57.03439	3.3
57.07068	5.3
59.05004	9.5
65.03610	1.9
65.03937	32.6
66.11697	1.4
67.01864	18.2
67.05505	23.6
68.05026	2.8
68.96334	1.5
68.99780	11.5
69.03429	17.0
69.07066	36.2
70.06600	2.1
70.91711	1.2
70.94264	8.5
71.04993	22.9
71.94093	2.8
72.08177	2.7
72.36426	1.3
73.06554	15.2
79.01846	14.6
79.05058	2.5
79.05491	35.5
80.04981	2.0
81.03398	1.7
81.07053	86.5
82.04189	1.5
82.06570	1.9
82.07391	2.6
83.04987	23.0
83.08615	5.9
91.05473	14.8
93.03391	6.9
93.07042	51.6
95.04964	100.0
95.08598	18.2
96.05309	1.4
96.08101	1.6
97.02905	8.4
97.06531	24.9
105.06976	3.6
107.01344	3.5
107.04953	7.9
107.08589	53.1
108.08958	1.8
109.02888	1.5
109.06516	7.5
109.07623	2.1
109.10155	30.7
110.03651	6.6
111.00777	2.3
111.03706	2.6
111.04443	43.7
111.08064	17.7
111.11661	1.3
111.96856	2.8
112.08711	5.6
119.08612	2.1
121.06473	3.3
125.02354	9.4
125.05975	20.6
125.09634	2.9
126.06449	1.5
129.97908	4.6
130.96255	2.3
135.04407	4.4
135.08057	4.1
135.11688	22.9
136.07607	5.0
136.08624	2.0
138.03162	3.2
139.03865	3.0
143.03410	9.4
147.01787	1.6
148.97372	2.9
153.01828	59.3
153.02844	2.8
153.05466	20.6
153.06606	2.8
153.09132	10.1
153.10118	1.9
153.11359	6.7
153.12744	24.0
154.02164	3.5
154.04993	3.6
154.06163	2.2
171.02910	9.3
173.65694	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.01601	2.7
51.02386	5.7
53.00286	1.1
53.03941	2.6
55.01862	4.7
55.05504	13.9
56.96552	3.9
57.03425	3.9
57.07073	2.0
59.05002	10.0
60.09819	1.1
65.03935	29.2
67.05500	23.3
68.05026	1.8
68.96341	1.9
68.99808	1.4
69.03424	9.8
69.07063	20.7
70.01810	3.2
70.02226	2.6
70.06557	1.6
70.94248	6.8
71.04996	8.1
71.94075	1.7
71.95254	2.1
73.06551	2.2
75.54229	1.0
79.01848	59.2
79.05491	17.4
80.02184	2.3
80.05038	1.1
81.03436	1.4
81.06583	1.8
81.07054	26.9
83.04977	24.9
83.08157	1.0
83.08620	4.6
84.08146	1.2
85.02904	1.2
88.95296	1.5
89.55821	1.0
91.05463	10.0
93.03395	8.4
93.07038	70.2
94.06552	1.6
94.07370	1.5
95.04959	5.4
95.08602	41.6
96.08942	2.1
97.02888	13.5
97.06524	54.9
98.20818	1.5
105.07014	4.5
107.01307	13.0
107.04948	3.6
107.08589	95.8
108.08902	2.0
109.06508	4.3
109.07628	1.2
109.10149	41.7
110.03653	6.8
110.07168	1.9
110.10546	1.1
111.04436	53.1
111.08081	7.8
111.96851	2.9
112.04749	2.1
112.08735	4.0
113.05913	1.1
116.98663	1.8
119.06048	1.3
123.00797	3.2
123.04387	1.4
125.02346	22.0
125.05977	15.9
125.09641	1.4
126.02667	1.1
129.97881	2.8
135.04443	2.6
135.08060	3.2
135.11681	50.8
136.07556	1.9
136.08653	1.7
136.12051	3.4
138.03134	2.1
143.03386	54.4
148.97322	5.9
153.01831	100.0
153.02953	15.8
153.05420	10.6
153.06592	2.1
153.09119	3.5
153.11388	4.8
153.12709	41.5
154.02168	4.5
154.04939	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	(+)-cis-p-Mentha-1(7),8-dien-2-ol
Peak:m/z	Relative Intensity
50.01596	2.8
51.02378	7.3
51.14191	1.0
53.00302	2.1
53.03937	3.1
53.79327	1.0
54.03471	1.1
55.01866	3.9
55.05504	14.2
56.96559	1.6
57.03427	3.6
57.07075	1.9
59.04993	4.4
65.03940	22.0
66.04279	0.9
67.05504	55.1
68.05052	1.4
68.05827	2.1
68.96343	2.3
68.99783	1.2
69.03434	9.1
69.04525	1.3
69.07076	9.3
70.06577	2.5
70.71259	2.4
70.71600	1.1
70.94249	4.9
71.04990	13.1
72.08150	1.9
73.02890	1.5
73.06559	10.2
79.01851	63.1
79.05492	43.9
80.02201	1.8
80.05017	1.1
80.05805	1.7
81.03410	1.4
81.04543	1.9
81.07056	52.2
82.07390	1.2
83.04984	16.1
83.08600	2.6
84.04448	1.1
86.97356	1.4
87.04444	1.1
88.95319	1.8
90.81178	1.0
91.05481	16.9
93.03397	10.3
93.07043	23.6
94.06573	2.0
95.04980	9.6
95.06086	2.3
95.08617	5.7
97.02889	13.0
97.06515	10.4
105.07022	4.2
107.01320	17.0
107.04978	4.9
107.08595	53.8
108.05566	1.1
108.08957	2.0
109.06546	5.2
109.07619	1.8
109.10140	8.4
109.98950	2.0
110.03670	4.6
110.07168	1.3
111.04443	46.3
111.08082	9.3
111.09246	1.5
111.96921	1.0
112.04817	1.9
112.08703	2.3
113.05853	1.7
115.05521	1.2
117.07038	2.6
121.02840	1.3
123.00807	2.1
123.04420	1.0
125.02345	26.5
125.05969	8.6
125.09597	5.2
126.10284	1.2
129.97939	1.4
130.96326	1.6
135.04462	1.5
135.08093	10.4
135.09123	1.8
135.11685	10.0
136.07603	1.9
136.08626	1.3
138.03075	1.5
143.03394	48.6
144.03706	1.9
148.97316	6.3
153.01840	100.0
153.02971	16.6
153.05424	6.4
153.07571	1.1
153.07977	1.5
153.09094	8.8
153.10248	1.4
153.11369	5.4
153.12738	3.8
154.02139	5.1
154.04979	1.6
154.09723	2.0
168.00545	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00320	3.0
53.03951	3.7
55.05510	15.0
56.96580	2.2
57.03408	3.1
57.07072	2.8
59.04996	8.7
65.03941	19.1
67.01854	3.1
67.05492	9.0
69.03419	5.4
69.07056	14.1
69.81673	11.4
70.94258	4.4
71.04997	32.2
71.95258	2.9
73.06551	23.4
79.01852	14.0
79.05489	31.3
81.07054	100.0
82.69642	1.8
83.04977	6.2
91.05458	12.4
93.03404	5.5
93.07040	41.2
95.04945	2.9
95.08602	5.9
97.02898	5.3
97.06516	10.4
105.07037	4.1
107.01357	3.3
107.08592	39.1
109.06525	3.2
109.10139	7.9
110.03661	3.4
110.07217	2.1
111.04434	26.2
111.08067	7.3
125.02338	5.3
125.05990	8.2
135.11694	20.5
143.03430	11.0
148.97304	1.9
153.01826	31.3
153.05431	3.9
153.09116	2.0
153.11560	2.6
153.12718	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	153.1273
Annotation	Perilla alcohol
Peak:m/z	Relative Intensity
53.00286	1.1
53.03928	3.4
54.67363	1.0
55.01853	4.2
55.05510	18.1
56.02200	1.0
56.96551	4.4
57.03439	7.7
57.07061	3.6
59.04985	3.0
63.78545	1.0
65.03941	20.4
67.05502	50.2
68.05822	1.4
69.03423	6.1
69.07066	66.2
70.07365	1.2
70.94260	7.9
70.95879	1.3
71.04987	5.4
71.58553	1.7
71.94109	7.8
71.95261	11.1
79.01826	2.0
79.05492	41.8
80.04992	1.9
81.03411	1.2
81.07053	51.3
82.06582	1.2
82.07394	1.3
83.04971	15.4
83.08611	11.1
85.06531	3.2
87.04438	1.8
87.73553	1.0
88.95292	2.5
91.05472	10.7
93.03393	4.7
93.07040	70.0
94.07358	2.4
95.04971	7.5
95.08606	28.5
97.02893	1.6
97.06526	34.0
97.10187	1.2
99.68142	1.2
105.07021	2.6
106.96348	1.7
107.01319	1.8
107.04945	4.8
107.08588	63.6
108.08176	1.2
108.08876	2.1
109.06487	4.2
109.10152	45.7
110.03638	3.6
110.10454	1.6
111.04443	42.6
111.08080	14.8
111.96882	3.3
112.04801	2.0
112.96743	1.7
124.22600	1.0
125.02357	2.4
125.05997	15.3
125.09644	2.4
126.06384	1.7
129.97922	2.8
130.97743	2.7
135.04474	1.3
135.08043	2.6
135.11685	100.0
136.03954	2.3
136.07568	3.9
136.12021	3.4
138.03099	2.0
138.05029	1.1
138.06718	1.6
143.03366	1.2
148.97379	3.2
149.01276	1.5
153.01852	4.2
153.05484	10.5
153.07468	5.5
153.09135	7.4
153.12743	68.9
154.04932	6.4
154.08635	2.6
154.13133	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	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.01588	1.6
51.02386	6.0
51.87659	1.0
52.04853	0.9
52.25135	0.9
53.00286	1.1
53.03931	2.4
55.01879	2.0
55.05511	11.7
55.25875	1.0
56.96549	2.7
57.03419	1.3
57.07071	2.0
59.04994	5.2
61.89540	0.8
65.03935	19.1
67.01834	1.4
67.05505	7.1
67.49112	0.8
68.05005	1.6
68.96324	2.1
68.99780	1.2
69.03420	7.5
69.07066	12.8
70.06591	1.3
70.94251	6.8
70.95854	0.9
71.04991	14.1
71.58308	1.8
71.95252	2.2
73.06551	9.1
73.18387	0.9
77.58642	0.9
79.01852	56.6
79.05488	19.5
80.02197	1.4
81.02898	0.8
81.03414	1.6
81.07055	49.7
81.66144	0.8
82.07370	1.3
83.04967	6.1
83.09204	0.8
87.73261	1.1
88.95298	2.6
91.05473	8.9
93.03386	5.0
93.07037	23.3
94.06549	1.0
94.07397	0.9
95.04971	6.0
95.06078	1.9
95.08589	8.4
97.02881	10.2
97.06522	11.7
99.70129	0.9
100.43058	1.2
105.07039	2.3
107.01306	11.5
107.04943	2.3
107.08589	25.5
109.06499	3.3
109.07649	1.5
109.10147	8.2
110.03683	3.7
110.76014	0.9
111.04440	30.7
111.08065	5.4
111.96861	2.7
112.04768	0.9
112.08739	2.5
115.39154	0.9
115.94754	1.1
123.00774	2.7
123.04469	1.0
125.02347	21.1
125.06016	10.2
125.09626	1.0
126.02675	1.1
129.97923	2.3
130.12192	0.9
135.08102	1.0
135.11681	12.3
136.07600	1.5
138.03165	1.4
143.03389	48.2
144.03761	1.4
148.97362	4.8
153.01833	100.0
153.02946	13.0
153.05370	5.7
153.09094	4.3
153.11386	3.8
153.12752	8.3
154.02167	5.1
154.04907	1.5
154.09656	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01602	1.1
51.02367	2.4
51.15184	0.4
53.03938	1.0
55.01866	2.6
55.05510	4.8
56.96553	1.9
57.03417	1.2
57.07064	1.6
59.04985	2.2
62.80295	0.5
65.03940	19.4
67.01870	4.1
67.05500	4.7
68.05022	1.0
68.96329	1.4
68.99787	3.9
69.03081	0.7
69.03430	10.3
69.04521	0.7
69.07064	11.6
70.06589	1.5
70.18828	1.0
70.19233	1.5
70.94257	4.7
71.04985	3.3
71.94083	1.7
71.95251	1.5
72.08160	0.6
72.49996	0.5
73.06542	2.2
79.01855	26.3
79.05056	0.8
79.05489	9.5
80.02206	0.7
80.05006	1.3
80.05811	0.7
81.03419	1.3
81.04532	0.6
81.07056	13.5
82.04204	0.6
82.06568	0.6
83.01348	1.2
83.04979	5.5
83.06136	0.6
83.08613	0.8
84.04488	0.6
84.08135	1.4
86.09691	1.9
88.95277	2.4
91.05473	4.1
93.03413	3.4
93.07040	9.4
95.04971	3.4
95.06084	1.5
95.08605	3.9
97.02891	7.5
97.06532	9.8
97.07566	0.5
98.06053	2.3
98.21478	0.6
105.07021	1.7
107.01315	6.2
107.04950	3.2
107.08588	9.9
108.04414	0.5
109.06505	1.9
109.10171	5.4
109.98956	0.7
110.03674	4.5
110.07186	1.2
111.00816	0.7
111.04441	34.1
111.08073	4.9
111.09218	1.1
111.96889	1.6
112.04762	1.3
112.07604	0.6
112.08710	2.3
121.02881	0.8
121.06486	0.9
121.81643	0.5
123.00761	1.1
123.04430	0.9
125.02358	10.1
125.05996	8.5
125.09628	1.6
126.02631	0.6
126.10311	0.5
129.97894	2.6
130.96315	0.7
135.04430	2.2
135.06410	0.6
135.08034	4.6
135.11688	4.8
136.03926	0.9
136.07570	1.0
136.08582	0.6
138.03102	2.2
138.06734	0.8
143.03398	18.4
144.03741	0.6
148.97340	3.5
153.01828	100.0
153.02884	5.8
153.05414	7.3
153.06595	1.0
153.09096	5.5
153.11362	4.1
153.12746	5.8
154.02153	5.3
154.04988	2.1
154.09682	1.2
154.12254	0.9
167.02298	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.091
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
50.01595	1.0
50.76105	0.5
51.02383	1.0
53.00301	0.5
53.03946	1.9
54.48386	0.6
55.01873	5.6
55.05509	14.9
56.96562	1.9
57.03439	4.8
57.07068	0.7
59.05001	1.7
65.03942	19.8
67.01898	0.5
67.05504	100.0
67.96095	0.4
68.05037	0.6
68.05831	2.7
68.96338	1.6
68.99789	0.5
69.03429	8.7
69.07059	5.3
70.06581	0.8
70.94258	4.2
71.01691	1.5
71.04990	6.8
71.94114	0.7
72.08159	0.8
73.02922	4.7
73.06557	1.9
79.01855	7.1
79.05492	58.6
80.05009	0.7
80.05827	1.7
81.03465	0.5
81.04536	0.7
81.07055	38.8
82.07394	1.3
83.04980	25.6
83.08635	1.7
84.04454	0.5
84.05302	0.6
84.08148	0.6
85.06596	0.7
86.97349	0.8
87.04482	1.2
88.95306	1.2
91.05479	22.4
92.05791	1.0
93.02817	0.8
93.03406	14.3
93.03976	1.0
93.07043	11.5
94.06590	0.7
95.01366	0.5
95.04973	7.4
95.06105	1.4
95.08605	3.7
97.02903	1.9
97.06528	9.1
97.10171	1.8
98.46310	0.4
101.67615	0.5
105.07035	9.6
107.01328	2.6
107.04953	6.9
107.08593	83.6
108.04518	0.5
108.08217	0.8
108.08887	2.9
109.06520	8.1
109.07646	1.3
109.09451	0.9
109.10155	11.2
109.98929	0.5
110.03664	2.7
110.06094	0.5
111.04440	59.0
111.08073	8.8
111.09219	0.7
111.96842	0.8
112.04800	1.6
112.08728	1.9
113.05865	1.9
113.07133	0.5
115.05466	1.0
117.06990	2.5
118.22740	0.5
119.06059	2.0
125.02343	3.5
125.05986	6.3
125.09630	6.1
126.10222	0.8
126.82731	0.5
127.05091	0.5
127.99945	0.8
129.05502	0.9
129.97922	0.6
130.96303	1.7
132.12865	0.6
135.04433	0.7
135.08058	17.0
135.09035	0.9
135.11726	2.8
136.07594	1.0
136.08580	0.8
138.03195	0.5
138.06743	0.9
139.03854	0.6
143.03404	7.4
148.97351	5.4
153.01837	12.9
153.02945	1.9
153.05499	3.9
153.06575	0.7
153.09109	15.8
153.10159	1.0
153.11359	2.9
153.12686	1.8
154.02168	1.0
154.06169	0.7
154.09660	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.3
51.98478	0.3
53.00283	0.7
53.03936	1.3
55.01879	1.7
55.05510	6.2
57.03430	1.3
59.04988	1.8
65.03941	8.0
67.02969	0.4
67.05502	18.3
68.05025	0.6
68.05825	0.4
68.96328	0.8
68.99779	0.5
69.03436	2.1
69.04567	0.4
69.07066	3.6
69.50559	0.3
70.06584	0.7
70.94246	1.3
71.04989	6.5
71.41891	0.6
71.42221	0.3
73.02912	0.9
73.06557	4.0
79.01859	4.5
79.05493	15.0
80.04998	0.4
81.03429	0.3
81.04530	0.8
81.07056	25.1
82.07375	0.7
83.04973	5.5
83.06105	0.5
83.08611	1.0
84.04514	0.5
84.08144	0.5
86.97369	0.4
87.04485	0.5
90.22205	0.3
91.05479	6.3
93.03397	2.9
93.07043	11.3
94.06552	0.4
95.04967	100.0
95.08616	2.4
96.05276	2.7
97.02882	0.8
97.04032	0.4
97.06518	4.7
105.07026	3.2
107.01321	1.0
107.04955	1.3
107.08591	19.9
108.08146	0.4
108.08913	0.4
109.06513	5.9
109.07660	0.8
109.10161	4.5
109.98902	0.3
110.03659	0.8
110.07133	0.3
111.04444	12.2
111.05589	0.5
111.07363	0.6
111.08083	9.0
111.09216	0.6
112.04867	0.4
112.07553	0.4
112.08683	0.8
113.05877	1.0
117.07032	1.0
119.06064	0.4
119.08559	0.8
121.06478	0.4
123.02777	1.5
125.02361	1.6
125.05997	3.0
125.09642	1.2
129.97809	0.4
130.96318	0.8
135.08057	3.8
135.11688	4.8
136.08653	0.6
138.03107	0.5
143.03395	3.1
148.97359	2.1
153.01834	7.0
153.02940	0.9
153.05479	2.6
153.07837	0.6
153.09091	5.0
153.10222	0.5
153.11380	1.8
153.12758	2.8
154.05016	0.6
154.08556	0.8
154.09746	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0546
Annotation	4-Hydroxyphenyl acetate
Peak:m/z	Relative Intensity
51.02381	1.5
53.03954	4.3
54.04723	1.0
55.01875	3.4
55.05514	4.2
56.96560	4.0
57.03436	1.6
57.07070	2.6
59.05003	2.4
65.03940	100.0
66.04269	1.7
67.02989	0.8
67.05501	15.8
68.05048	1.1
68.96329	1.9
68.99795	7.8
69.03422	6.5
69.04546	0.7
69.07072	6.1
70.02589	0.9
70.06587	1.5
70.81041	2.0
70.94259	10.5
70.95853	1.5
71.04999	1.5
71.94096	1.9
71.95264	3.6
72.08149	1.6
77.03948	1.7
79.01855	14.1
79.05488	9.0
80.05019	1.2
81.03417	5.7
81.07053	5.3
82.04198	24.5
82.06559	4.3
83.04976	7.5
83.06108	1.1
83.06913	3.5
83.08612	1.5
85.02906	1.3
88.95295	3.8
91.05482	4.7
92.02620	1.2
93.03413	6.5
93.07036	7.3
94.04169	1.1
95.01333	22.7
95.04971	13.6
95.06099	1.6
95.08604	4.3
97.02901	3.0
97.06532	11.3
97.10150	0.8
98.03690	1.3
98.07145	0.9
105.04521	1.4
105.07041	1.7
107.01322	2.9
107.04951	4.8
107.08578	9.0
108.02097	15.8
108.05589	0.9
109.06514	2.1
109.10157	5.3
110.03658	65.7
110.07214	1.4
111.04442	81.0
111.08078	15.7
111.96867	3.7
112.04810	2.6
112.08719	3.4
123.00826	0.9
123.04472	1.3
124.11111	0.7
125.02379	5.4
125.05991	48.2
125.09634	8.0
125.11581	1.7
126.06337	1.6
129.97900	6.0
130.88905	0.8
130.96277	1.0
134.05946	1.0
135.04387	2.2
135.05409	0.8
135.08073	4.0
135.11697	3.0
136.07642	1.5
136.08662	1.4
137.02341	1.9
138.03108	9.1
138.06796	1.6
143.03398	10.8
148.97362	5.0
153.01839	24.6
153.02953	3.7
153.05469	19.3
153.06580	1.9
153.09102	7.2
153.11314	5.9
153.12733	4.7
154.04982	2.9
165.24072	0.7
171.99081	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	2.4
51.02378	7.2
53.00294	0.5
54.72713	0.3
55.01872	1.6
55.05508	0.8
59.27210	0.3
63.10025	0.3
65.03935	3.1
65.59719	0.4
67.05499	0.9
68.05017	0.3
68.99779	0.7
69.03424	3.6
69.07054	1.1
70.70698	0.8
70.71037	0.3
70.94248	1.2
71.95262	0.5
75.04453	0.3
79.01851	66.6
79.05482	1.1
80.02198	1.9
81.07037	0.8
81.30228	0.3
83.04966	1.1
87.00806	0.7
91.05475	0.6
93.03403	0.7
93.07034	1.2
95.01325	0.8
95.04966	0.7
95.08592	0.8
97.02282	0.7
97.02890	11.1
97.03519	0.6
97.06529	1.2
99.67838	0.3
100.55951	0.3
107.01313	17.2
107.04967	0.7
107.08591	1.3
108.01648	0.3
109.06466	0.3
109.10151	1.1
110.03666	0.6
111.04436	4.2
111.08059	0.6
121.06486	0.6
123.00785	2.9
123.04408	0.4
125.02348	25.9
125.05989	1.6
126.02679	0.8
129.97885	0.4
130.97726	0.5
135.05397	0.3
135.08022	0.6
135.11685	0.6
136.07567	0.6
138.03195	0.6
138.06743	0.3
143.03389	52.0
144.03709	2.0
146.78801	0.3
153.01830	100.0
153.02942	16.0
153.09087	0.8
153.11162	0.5
153.12775	0.8
154.02150	4.5
154.03279	0.5
156.85265	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.5
51.02374	1.8
51.13847	0.3
53.03942	0.6
55.01864	1.5
55.05498	1.4
63.64489	0.3
65.03938	2.6
67.01864	6.2
67.05507	2.2
68.05035	0.4
68.96321	1.2
68.99789	5.4
69.03077	0.6
69.03427	8.4
69.07057	1.6
70.06597	0.5
70.94257	4.4
70.95859	0.4
71.04984	0.8
71.94101	0.8
72.08124	0.5
73.06532	0.4
79.01851	16.3
79.05492	3.0
80.02157	0.5
81.03404	1.0
81.04543	0.3
81.07039	3.6
83.01324	1.6
83.04981	1.7
85.02907	0.7
88.95281	0.8
91.05474	0.9
93.03405	1.0
93.07047	2.5
95.01317	0.6
95.04955	1.1
95.06040	0.4
95.08627	0.8
97.02890	5.2
97.06522	1.9
105.07048	0.5
107.01311	3.7
107.04941	1.1
107.08583	2.8
108.05682	0.4
109.02856	0.3
109.06506	0.6
109.07660	0.5
109.10160	1.1
109.98946	0.4
110.03643	1.1
110.07207	0.4
111.00777	0.6
111.04442	5.7
111.08046	1.4
111.09212	0.4
111.96870	1.0
112.08707	1.2
112.96682	0.5
123.00808	0.4
125.02349	6.6
125.05998	2.9
125.09607	0.8
126.10275	0.5
127.03855	0.5
129.97902	1.1
130.96283	1.1
135.00848	0.3
135.04419	0.5
135.08043	1.0
135.11687	0.8
137.16824	0.3
138.03082	0.4
141.20593	0.3
143.03395	12.1
148.97359	3.0
153.01825	100.0
153.02838	4.4
153.05428	1.8
153.09059	1.0
153.11342	1.7
153.12648	0.8
154.02187	3.8
154.05006	0.8
154.08647	2.6
171.02965	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	1.6
51.02378	6.9
53.00309	0.8
53.03947	0.9
55.01865	2.5
55.05514	2.5
56.96579	0.6
57.03411	0.4
59.04991	0.7
65.03942	8.0
67.05508	3.0
68.05021	0.6
68.96331	0.4
68.99799	0.8
69.03429	4.8
69.07074	3.0
69.56630	2.9
70.06580	0.4
70.94263	2.6
71.04990	0.4
71.94091	0.7
71.95267	0.7
75.04475	0.5
75.12655	0.4
79.01854	65.1
79.05497	3.0
80.02183	1.5
80.43062	0.4
81.03403	0.7
81.07062	2.4
82.04220	0.8
82.06557	0.5
82.96954	0.4
83.04987	2.7
83.06891	0.4
83.08605	0.9
87.00829	0.4
87.04501	0.5
88.95288	1.2
91.05503	2.1
92.61759	0.4
93.03401	1.1
93.07050	4.1
95.01334	1.1
95.04956	2.4
95.08629	2.6
97.02281	0.9
97.02892	11.5
97.06532	3.8
105.07017	0.7
107.01315	17.1
107.04965	1.8
107.06078	0.4
107.08600	4.3
108.44368	0.4
109.06527	0.5
109.10150	3.4
110.03654	3.0
110.07214	0.4
111.04440	12.5
111.08074	1.8
111.96848	0.6
112.04762	0.5
112.08722	0.8
121.06522	1.3
123.00787	2.4
123.08121	0.4
125.02349	26.2
125.05987	4.2
125.09620	0.5
126.02690	0.5
129.97902	1.0
135.08038	1.3
135.11694	1.1
136.04022	0.4
136.07584	1.0
137.07303	0.4
138.03131	1.6
138.06769	1.0
143.03397	53.8
144.03709	1.6
148.97325	1.0
153.01837	100.0
153.02954	16.5
153.05347	3.7
153.09081	3.3
153.11282	1.1
153.12732	3.7
154.02127	3.1
154.03252	0.6
154.04950	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	2.2
51.02383	6.3
52.44864	0.5
53.00308	0.9
53.03927	0.7
55.01874	3.3
55.05510	6.0
56.05032	1.1
56.96559	1.6
57.03431	1.4
57.07076	0.8
57.50932	0.7
59.04989	1.9
60.36670	0.6
65.03934	9.6
67.02984	0.7
67.05502	18.0
67.85950	0.6
68.05015	0.8
68.96333	1.8
68.99055	0.5
68.99792	0.7
69.03424	6.5
69.04548	1.1
69.07072	5.1
69.93799	3.2
70.06595	1.2
70.94250	3.0
71.04992	6.1
72.08160	0.7
73.02917	1.0
73.06560	4.5
76.62892	0.5
79.01852	58.3
79.05491	18.6
80.02180	1.7
81.04543	1.7
81.07052	25.5
81.07529	1.3
82.06573	0.7
83.04987	5.9
83.06079	0.8
83.08611	1.3
87.00799	0.9
88.95300	0.8
91.05489	5.1
93.03405	4.4
93.07039	11.5
95.04964	3.1
95.06075	1.0
95.08606	2.6
97.02887	11.3
97.06526	7.4
97.07629	0.7
98.07246	0.5
98.20831	0.8
100.99003	0.5
105.07023	3.1
107.01313	16.7
107.04949	2.6
107.06080	0.9
107.08591	24.0
108.05647	1.0
108.08911	1.0
109.06499	2.5
109.07639	2.0
109.10136	4.7
110.03665	3.2
111.04443	17.9
111.08068	3.4
111.09226	1.0
111.96840	0.9
112.08729	1.7
113.05869	2.2
119.08612	0.7
121.02876	0.7
122.45883	0.6
123.00777	2.2
125.02349	23.8
125.03271	1.2
125.05975	4.7
125.09627	1.3
126.02651	0.6
129.97939	0.6
130.96300	1.4
135.04428	1.1
135.08055	3.9
135.11678	5.0
136.03986	0.7
136.07622	0.7
136.08644	1.2
137.05730	0.5
138.03111	1.3
143.03389	51.6
144.03728	1.8
148.97371	3.3
153.01833	100.0
153.02954	15.4
153.05420	6.5
153.07803	1.1
153.09090	4.2
153.10158	1.0
153.11359	5.0
153.12761	3.1
154.02159	3.0
154.09767	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	1.7
51.02379	6.9
53.00290	0.6
53.03960	0.4
54.07455	0.3
55.01866	1.5
55.05501	1.4
56.96571	0.6
57.07068	0.3
59.04998	0.9
65.03941	3.9
67.01881	0.4
67.05494	1.4
68.05015	0.6
68.96324	0.7
68.99783	0.5
69.03433	4.2
69.04548	0.4
69.07083	2.1
70.06587	1.2
70.94249	1.2
71.04993	2.3
71.94066	0.5
72.08179	0.4
73.06544	1.1
79.01851	66.0
79.05486	3.9
80.02184	1.8
81.04528	0.6
81.07056	6.2
83.04967	1.8
83.06102	0.3
84.08106	0.4
84.23930	0.4
86.97337	0.4
87.00827	0.7
88.14992	0.4
88.95322	0.4
91.05476	1.6
93.03397	1.8
93.07037	3.2
94.06577	0.7
94.43482	0.4
95.01331	0.7
95.04978	1.5
95.06100	0.8
95.08588	0.9
96.05561	0.4
97.02893	11.7
97.06516	3.1
98.03200	0.3
98.20706	0.6
104.97778	0.3
106.69277	0.3
107.01310	14.9
107.04958	3.1
107.08588	4.3
108.01670	0.4
108.05640	0.4
109.06487	0.7
109.07632	0.6
109.10156	1.5
110.03645	1.4
111.04442	6.8
111.08083	0.9
111.09187	0.5
111.96864	0.4
112.08720	1.1
113.05871	0.7
123.00793	2.7
125.02345	25.1
125.05978	3.1
126.02696	0.6
129.97923	0.6
130.96307	0.9
135.04391	1.0
135.08075	0.6
135.11690	1.5
136.03951	0.4
136.07645	0.5
136.08665	0.6
138.03142	0.5
143.03389	54.5
144.03758	2.2
148.97333	2.4
153.01831	100.0
153.02945	14.7
153.05464	2.1
153.09058	0.8
153.10280	0.4
153.11322	2.4
153.12701	1.5
154.02164	3.3
154.03340	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	2.0
51.02378	6.1
53.00320	0.4
53.03934	0.5
55.01871	1.6
55.05507	1.4
56.96566	0.7
58.41491	0.3
63.64177	0.4
63.66784	0.3
65.03938	9.5
66.74346	0.3
67.01882	0.3
67.05511	1.9
68.96310	0.6
68.99789	0.9
69.03429	4.1
69.07064	2.3
69.43626	3.2
70.94259	2.9
70.95847	0.3
71.04955	0.5
71.94123	0.6
71.95262	0.8
73.67401	0.3
79.01854	61.9
79.05494	1.9
80.02178	1.7
81.03413	0.5
81.07053	0.9
83.04974	1.6
87.00816	0.7
88.95308	0.8
88.96917	0.3
91.05489	0.7
93.03400	3.8
93.06557	0.4
93.07033	2.3
95.01335	0.8
95.04969	1.4
95.06069	0.5
95.08604	1.4
96.02080	0.5
97.02889	10.7
97.06551	2.9
98.21519	0.6
107.01317	16.5
107.04973	1.1
107.08591	1.7
108.08135	0.5
109.02901	0.6
109.10165	1.1
110.03639	1.7
110.71017	0.4
111.04440	14.7
111.08039	1.0
111.96862	0.9
112.04783	0.4
112.08784	0.7
123.00803	2.8
123.04427	0.4
124.05215	0.4
125.02349	25.0
125.05979	4.0
125.09591	0.6
126.02683	1.1
129.97925	1.7
130.96307	0.4
135.04492	0.5
135.08080	0.4
135.11708	0.8
138.03127	1.5
139.03893	6.8
143.03391	52.2
144.03751	1.3
146.25575	0.4
147.53993	0.4
148.97368	1.1
153.01836	100.0
153.02951	14.6
153.05368	4.3
153.09102	1.5
153.11363	1.0
153.12741	1.6
154.02144	3.7
154.03265	0.5
154.05011	0.8
154.06239	4.9
154.08553	0.4
154.09683	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	2.5
50.33271	0.6
51.02377	6.5
53.00312	0.8
53.03931	1.3
54.03455	0.8
54.93039	0.6
55.01867	4.3
55.02981	0.8
55.05509	3.9
56.05029	1.8
56.96565	5.6
57.03428	1.1
57.04580	0.6
57.07058	0.9
58.06602	0.7
59.05000	1.6
59.25270	0.5
62.25206	0.5
65.03940	23.7
65.34152	0.5
67.02983	1.7
67.05173	0.7
67.05505	8.1
68.05026	2.9
68.96339	4.7
68.99786	2.0
69.03147	0.6
69.03436	7.4
69.04549	2.6
69.07063	6.0
69.86837	2.5
69.87244	1.3
70.03006	0.6
70.06578	2.6
70.94253	5.6
71.04994	1.1
71.06103	0.9
71.06890	0.6
72.04491	0.6
72.08147	2.0
79.01852	63.2
79.05063	0.9
79.05495	12.7
80.02183	1.6
80.05028	1.5
81.03432	1.8
81.04528	4.1
81.07051	5.5
82.06563	1.8
83.01308	0.9
83.04975	7.7
83.06107	2.2
83.08634	0.9
84.04479	0.9
84.08099	0.8
85.02901	1.1
85.07668	0.7
86.97366	2.6
87.00843	0.9
87.04449	0.8
88.95298	2.2
91.05474	6.4
93.03413	4.2
93.07038	12.1
94.06579	2.1
95.01369	0.8
95.04978	7.4
95.06071	2.1
95.08600	4.7
96.04510	0.8
96.05595	1.9
96.08135	0.8
97.02898	12.4
97.04005	1.2
97.06519	11.4
97.07614	1.4
97.08518	0.6
98.06107	0.7
98.07163	1.2
99.05587	0.8
105.07044	1.5
106.96336	0.8
107.01311	20.1
107.02052	1.2
107.04962	9.9
107.06065	1.0
107.08588	10.9
108.05596	2.6
108.08132	3.4
108.08808	0.7
109.02862	1.0
109.06518	4.0
109.07629	3.4
109.10147	5.4
109.98946	1.5
110.03647	4.9
110.06020	1.9
110.07204	0.7
111.04440	46.7
111.08070	4.7
111.09225	1.5
111.96890	0.9
112.04774	0.7
112.07603	0.6
112.08740	2.1
113.05875	8.1
113.07131	0.6
113.08392	0.7
116.98600	0.9
118.06564	1.3
119.06029	0.7
121.02884	2.4
123.00777	2.2
123.04452	0.6
123.22344	0.6
125.02349	27.0
125.05991	15.5
125.07030	1.0
125.09637	2.6
125.11530	0.7
126.02664	0.7
126.05508	1.0
126.06562	1.8
126.09222	1.2
126.10242	1.3
127.05036	1.2
127.99995	1.3
129.97966	1.3
130.53612	0.9
130.96300	3.6
134.05981	0.8
134.99626	0.8
135.04416	2.5
135.05515	1.0
135.06560	0.9
135.08064	5.9
135.09067	1.2
135.11691	2.3
136.04968	0.8
136.07578	3.6
136.08694	2.5
137.07150	0.7
138.03125	2.8
138.06763	1.0
143.03394	52.2
144.03726	1.4
148.97356	15.5
153.01836	100.0
153.02956	15.0
153.05435	11.3
153.06537	1.1
153.07698	2.9
153.09106	5.3
153.10239	2.3
153.11327	4.3
153.12672	4.9
154.02190	4.3
154.04947	0.9
154.06111	1.2
154.08626	4.4
154.09778	1.5
166.98442	0.8
171.99034	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01602	1.7
51.02377	6.5
53.00293	0.9
53.03951	2.7
54.03471	1.0
55.01873	4.8
55.03001	0.8
55.05514	4.2
56.05037	1.4
56.96568	19.9
57.03432	1.4
57.04535	0.6
58.06596	0.7
58.47367	0.5
58.99584	0.8
59.04997	1.0
61.02919	0.5
64.64491	0.5
65.03943	15.4
67.02985	1.4
67.05509	4.7
68.05025	2.4
68.96326	4.9
68.99792	2.8
69.03428	7.2
69.04539	1.6
69.05820	0.6
69.07072	3.7
69.59502	3.3
69.59908	1.2
70.06583	2.8
70.94260	5.4
70.95851	0.7
71.01357	0.8
71.04974	1.0
71.94085	0.7
71.95287	0.8
72.04506	0.6
72.08154	0.8
74.06091	0.8
74.97595	0.6
76.05126	0.6
77.00859	0.7
79.01855	66.2
79.05494	21.8
79.05961	0.9
80.02222	1.0
80.05019	2.3
80.05823	1.3
81.00923	0.6
81.03426	1.8
81.04541	2.1
81.07061	4.0
82.04131	0.8
82.06590	3.1
83.04985	9.0
83.06094	1.1
83.06912	0.6
84.04519	1.5
84.08141	1.6
84.96033	0.6
85.01124	0.7
85.02911	1.8
86.97370	2.2
87.04456	0.5
88.95312	1.7
89.03925	1.5
91.05486	19.0
93.03406	3.0
93.07027	2.9
94.04222	0.6
94.06581	1.8
95.01368	0.8
95.04971	9.6
95.06071	1.2
95.07351	1.4
95.08607	2.4
96.04489	0.6
96.05672	0.8
96.06928	0.5
97.02893	12.4
97.04018	0.7
97.06522	8.5
97.07611	1.0
98.06046	0.9
103.02445	0.6
104.02509	0.7
105.02267	0.7
105.04546	1.0
105.07036	0.7
106.06589	1.1
106.96365	0.6
107.01318	20.1
107.04957	34.5
107.06122	1.2
107.06864	1.1
107.08593	4.3
108.01653	0.7
108.04501	1.2
108.05308	1.8
108.08147	1.1
109.02901	1.2
109.06502	4.4
109.07646	1.8
109.10152	3.6
109.98972	2.3
110.03560	8.2
110.06057	1.0
110.07177	0.9
111.04453	24.0
111.08063	1.7
111.09213	1.3
111.96823	1.1
112.07623	1.2
112.08739	1.6
113.02625	0.6
113.05878	4.0
116.98621	1.0
119.01932	1.3
119.04952	9.0
121.02834	4.2
122.03600	1.1
123.00809	2.0
123.03250	0.6
123.04438	1.8
124.05235	4.4
124.07596	1.1
125.02351	26.8
125.05997	13.6
125.06989	1.1
125.07955	1.4
125.09627	0.9
126.05504	1.1
126.06460	0.9
127.99908	1.1
128.04558	1.5
128.98604	0.7
129.04099	0.7
130.96317	3.8
131.01909	1.7
134.06078	0.7
134.99677	0.8
135.04417	18.3
135.06444	1.6
135.08055	1.9
135.11713	2.0
136.01463	3.3
136.05273	2.6
136.07576	4.2
136.08685	1.5
136.60254	0.6
137.05981	45.8
138.05522	2.6
138.06680	0.8
143.03398	52.1
144.03751	1.1
146.99667	0.6
148.01527	2.1
148.02641	0.7
148.97363	14.6
149.01170	1.8
149.02965	0.7
149.06641	0.7
153.01845	100.0
153.02957	15.4
153.04094	9.5
153.05315	31.3
153.07628	2.9
153.09120	2.8
153.10248	1.2
153.11331	1.5
153.12646	2.5
154.02449	9.5
154.04544	1.8
154.05956	1.2
154.08623	1.9
154.09782	2.0
161.01265	1.0
162.99046	0.6
166.98462	0.9
167.02251	0.8
171.03134	1.4
171.99004	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.107
Annotation	Pulchellalactam
Peak:m/z	Relative Intensity
51.66959	0.2
53.03937	0.3
53.32274	0.2
55.01872	0.5
55.05507	0.8
56.96577	0.3
63.58985	0.2
64.42427	0.2
65.03942	1.7
67.04246	2.2
67.05501	0.5
67.87550	0.2
69.03449	0.2
69.07064	0.9
70.06580	0.2
70.14698	0.9
70.94254	0.5
79.01848	0.5
79.05464	1.0
80.05005	2.1
81.05801	3.8
81.07051	0.7
82.06578	100.0
83.04982	0.3
83.06915	2.5
91.05499	0.6
92.02641	0.2
92.53735	0.2
93.07063	0.5
94.06560	2.3
95.04964	0.6
95.07372	1.3
95.08610	0.3
96.04462	0.2
96.08138	0.8
96.08927	0.3
97.06531	0.5
98.21461	0.2
105.07031	0.3
106.06568	0.2
106.07342	0.2
107.08590	0.9
108.04485	0.2
108.08105	0.3
109.06519	0.2
109.10159	0.4
110.03663	0.6
110.06031	0.4
111.04454	1.7
111.08015	0.4
121.06459	0.3
122.06035	2.7
122.09621	0.2
123.04435	0.4
123.06814	2.8
124.03901	0.2
124.04784	0.4
124.11226	54.1
125.05991	1.0
125.10858	0.2
125.11580	1.9
134.09663	0.5
143.03416	0.6
152.01610	0.3
152.04362	0.3
152.07111	0.5
152.10696	24.8
153.01836	1.4
153.05510	0.4
153.09082	0.5
153.11037	1.3
153.12712	0.2
165.48817	0.2
171.98987	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	152.107
Annotation	Pulchellalactam
Peak:m/z	Relative Intensity
53.03956	0.6
55.01871	2.5
55.05510	1.5
55.05765	0.5
55.55568	0.5
58.54210	0.5
62.85261	0.5
65.03947	3.4
67.04262	3.6
67.05505	6.5
68.05831	3.8
69.03426	0.9
69.07066	1.5
70.94257	1.4
71.58322	0.6
79.05489	3.2
80.05019	3.5
81.05797	4.0
81.07064	2.5
82.06581	100.0
82.07384	3.1
83.04987	1.7
83.06897	1.7
88.95235	0.7
91.05461	0.6
93.03387	0.8
93.07029	1.3
94.06567	2.0
95.04971	0.8
95.07349	1.9
95.08611	3.3
96.04511	0.6
96.08160	2.6
96.08942	5.9
97.06551	0.6
106.06533	0.7
107.04941	1.4
107.08591	2.0
108.04475	1.1
109.06551	0.6
109.10150	1.5
110.03645	0.7
110.06030	1.4
110.10475	3.4
111.04440	6.3
111.96883	0.6
122.06023	2.6
123.06788	2.4
124.03934	0.8
124.07584	2.5
124.11230	55.8
125.05982	1.5
125.11572	1.3
129.97856	0.7
134.06006	1.4
134.09637	0.7
135.08044	0.7
135.11708	0.7
146.99599	0.8
152.01613	1.7
152.03287	0.6
152.07077	4.1
152.10699	27.5
153.05440	0.9
153.09093	0.7
153.11037	1.0
153.12807	0.8
161.44795	0.5
163.39488	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0706
Annotation	2-Descarboxy-cyclo-dopa
Peak:m/z	Relative Intensity
53.03935	1.8
55.01869	5.0
55.02985	0.8
55.05506	2.2
56.05038	0.8
56.96295	0.6
56.96563	11.5
57.03436	4.5
58.65353	0.4
58.99870	0.6
61.02912	0.9
65.03925	2.6
66.04725	0.6
67.04221	0.6
67.05497	3.7
68.05022	2.4
68.99783	1.0
69.03410	2.0
69.07075	0.7
70.06576	1.4
70.19255	2.1
71.04987	1.4
71.95230	0.5
73.01415	0.4
73.02915	0.9
74.97556	0.4
77.00896	1.4
77.03896	0.5
79.01836	0.9
79.05489	15.8
80.02479	0.5
80.05011	5.0
81.01920	0.5
81.03407	1.9
81.05775	1.8
81.07053	2.5
82.04110	0.8
82.06577	17.4
83.04980	3.9
83.06109	0.5
85.02892	3.1
88.02659	0.9
89.03905	0.7
91.02447	1.2
91.05452	1.9
92.04986	1.9
93.03417	0.6
93.05768	1.7
93.07021	0.9
94.06565	8.6
95.04972	6.0
95.07353	7.7
96.04465	1.4
96.05750	0.7
96.08123	6.4
97.02878	2.1
97.06530	1.3
98.06032	0.5
98.21438	0.5
98.97578	2.4
99.35104	0.5
100.02486	1.7
101.00859	1.7
103.02421	1.9
105.04527	0.6
106.06548	20.6
107.04951	30.3
107.07384	2.9
107.08595	1.1
108.04426	0.7
108.08111	3.6
109.02857	2.4
109.03452	1.1
109.05149	3.3
109.06498	1.2
109.07632	0.8
109.10142	0.5
110.03526	14.7
110.05283	0.7
110.06037	11.2
110.09672	1.6
110.97556	1.5
111.04440	1.8
114.04016	0.5
115.02412	3.6
116.02557	0.6
116.04991	0.4
116.98612	1.4
117.02137	0.7
117.03989	0.5
117.07024	0.5
118.03498	2.4
119.01922	6.6
119.59164	0.5
120.02066	0.5
121.01643	1.0
121.03498	0.9
122.06045	3.2
123.04416	4.2
123.06810	2.3
124.03944	1.4
124.05178	1.9
124.06702	0.8
124.07583	13.1
124.11223	2.7
125.02345	0.5
125.04683	1.3
125.05969	2.3
125.07086	0.5
128.04558	9.6
128.98593	3.4
129.03972	1.3
131.01910	1.1
133.01781	0.5
133.03468	5.1
134.03673	0.9
134.04688	1.4
134.06009	30.8
134.09637	1.6
134.99672	1.0
135.03020	16.6
135.04390	14.0
135.05383	0.8
135.06435	0.9
135.07996	0.5
135.09094	0.6
136.05139	1.1
136.07507	0.7
137.02872	2.1
137.08383	1.2
138.05481	1.5
142.03470	0.9
143.01883	1.1
143.03401	0.9
145.03430	1.2
146.99641	4.9
147.01402	1.4
147.05016	4.1
152.05669	96.1
152.07048	100.0
152.10667	12.6
153.01839	2.0
153.04063	50.2
153.05447	13.7
153.07292	3.4
154.02473	1.0
154.04420	0.9
159.04974	0.6
161.02946	1.8
161.06572	0.8
165.00659	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0706
Annotation	(R)-Mandelamide
Peak:m/z	Relative Intensity
51.02380	2.3
53.03935	2.3
54.03479	0.9
55.01867	2.9
55.05484	1.3
56.05032	1.4
56.96566	3.9
57.03437	0.6
65.03939	4.4
67.04252	1.1
67.05502	2.3
68.05023	3.8
68.99783	0.8
69.03413	1.9
69.07056	2.1
69.93423	0.9
69.93827	2.8
70.02945	0.5
70.06598	4.1
72.08153	0.7
75.51860	0.5
79.01855	17.1
79.05491	21.8
80.05029	4.1
80.05817	0.6
81.03409	2.8
81.04527	1.8
81.05787	0.6
81.07058	1.6
82.06573	4.4
82.07371	0.6
83.04964	1.2
83.06096	2.5
84.04466	0.5
84.08132	0.7
85.02884	0.8
89.03921	1.1
91.05484	1.7
91.44368	0.5
92.04992	1.0
92.05846	1.0
93.07016	1.4
94.06564	3.0
95.04972	4.4
95.06092	1.7
95.07343	0.9
95.08591	1.0
96.04491	1.7
96.08134	3.2
97.02888	3.9
97.06505	1.9
97.07652	2.7
98.20868	0.8
98.97575	1.1
99.74393	0.5
103.02431	0.7
105.03380	0.5
105.04496	0.8
106.06553	27.6
107.01321	4.5
107.04953	100.0
107.08588	1.5
108.04482	1.7
108.05300	2.4
108.08130	1.5
109.02890	5.5
109.06538	1.1
109.06915	0.6
109.07639	5.5
109.10194	0.9
110.03574	2.9
110.06034	2.0
110.07139	1.3
111.04439	6.8
111.05579	1.2
111.09198	2.4
112.06383	0.8
112.09969	1.0
113.05872	1.3
114.76453	0.5
116.98644	1.5
119.29873	0.5
121.03533	0.6
123.04414	0.8
124.03976	4.9
124.04810	1.1
124.07607	5.4
124.08542	0.7
124.11237	1.2
125.02363	8.0
125.05967	4.2
125.06937	0.6
128.04649	0.6
128.98647	0.5
134.06020	16.3
134.06996	1.1
134.99709	1.1
135.04416	56.0
135.09158	2.7
135.11688	0.6
136.01367	0.9
136.04747	1.4
143.03386	15.0
146.97472	1.7
146.99670	1.6
147.01379	1.1
147.10864	0.5
152.01669	2.0
152.03378	2.3
152.04469	1.0
152.05707	6.0
152.07071	27.5
152.08154	2.0
152.10674	2.4
152.11833	3.3
153.01828	28.7
153.02937	4.0
153.04076	5.5
153.05469	2.9
153.07547	1.1
153.09073	0.9
153.10268	0.6
154.02524	1.7
165.00729	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0707
Annotation	(R)-Mandelamide
Peak:m/z	Relative Intensity
50.01596	0.3
51.02379	0.8
51.14596	0.4
53.03941	2.5
55.01866	1.0
55.05502	0.8
55.98272	0.4
56.05028	1.1
56.96567	2.7
59.04992	0.4
65.03939	3.8
67.05499	1.4
68.05024	1.2
69.03426	1.3
69.07060	1.1
70.02959	0.6
70.06592	1.7
71.08091	1.0
77.03937	0.5
78.03462	0.3
79.01852	6.7
79.05492	20.3
80.05017	3.8
80.05801	0.7
81.03414	3.4
81.04545	0.6
81.07044	1.3
82.04076	0.5
82.06563	2.6
83.04961	0.7
83.06093	0.9
83.12303	0.3
84.04494	0.4
84.08151	0.5
85.02921	0.5
89.03910	0.8
91.05480	1.1
92.05800	0.5
93.03406	1.0
93.05781	0.6
93.07027	0.4
94.06582	1.9
95.04963	4.8
95.06093	1.0
96.04504	1.2
96.05215	0.3
96.08138	1.9
97.02894	1.7
97.06521	0.8
97.07657	1.7
98.97594	1.2
103.02422	0.5
104.05851	0.4
105.04505	0.9
106.06556	26.8
107.01321	2.1
107.04954	100.0
108.04501	1.0
108.05283	2.2
108.08122	1.5
109.02874	6.0
109.05140	1.1
109.06521	0.5
109.07637	1.9
110.03528	7.1
110.06049	1.6
110.07115	0.5
111.04445	5.5
111.05615	0.5
111.09191	1.3
112.09975	0.5
113.05875	0.7
116.04967	0.6
116.98626	1.1
121.03497	0.4
123.04421	1.5
124.03963	2.4
124.04757	0.7
124.07578	2.8
124.11230	0.4
125.02379	3.1
125.06013	3.0
125.06801	0.5
126.34825	0.3
128.04578	4.3
128.98621	0.7
134.04697	1.0
134.06021	16.3
134.99646	1.1
135.03043	6.4
135.04416	51.1
135.09181	1.0
136.01410	1.0
136.04749	1.5
143.03410	4.4
146.97403	0.6
146.99649	0.9
147.01405	0.7
148.07556	0.3
151.03877	2.5
152.01622	1.0
152.05678	65.5
152.07050	23.1
152.10669	0.9
152.11842	2.2
153.01898	11.4
153.03088	1.3
153.04071	32.2
153.05388	1.5
153.07449	0.8
153.09033	0.5
154.02443	0.8
154.04480	0.7
159.30038	0.4
161.02934	0.5
162.34055	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.4
53.03939	1.3
53.84530	0.3
55.01878	2.1
55.02988	0.9
55.05499	1.1
55.93356	0.4
56.05018	0.6
56.96291	0.6
56.96562	9.9
57.03430	1.4
59.04998	0.4
65.03951	2.3
66.04723	0.4
67.04240	0.6
67.05493	2.1
68.05029	2.1
68.99777	0.5
69.03437	1.6
69.07065	0.7
69.86737	2.1
70.06584	1.0
71.04987	0.9
74.97584	0.4
76.61356	0.3
77.03929	0.4
79.01855	2.4
79.05491	11.1
80.05005	3.7
80.51174	0.3
81.03413	1.2
81.04543	0.5
81.05812	2.0
81.07040	1.0
81.44857	0.3
82.04078	0.9
82.06578	20.4
82.82047	0.3
83.04976	1.9
83.06093	0.6
84.04527	0.3
84.74210	0.3
85.02911	1.4
89.03923	0.4
91.05518	0.7
92.05019	1.2
92.05819	0.4
93.03406	0.4
93.05790	1.1
93.07040	0.6
94.06562	8.5
95.04974	3.5
95.06048	0.5
95.07352	7.7
96.04486	1.1
96.05731	0.6
96.08131	5.9
97.02890	2.1
97.06513	1.1
97.07644	0.4
98.20753	0.4
98.97609	1.9
103.02415	0.4
105.04519	0.5
106.06557	11.2
107.01344	1.9
107.01945	0.3
107.04951	18.1
107.07365	1.8
107.08615	0.6
108.04478	0.7
108.08118	2.2
109.02900	1.0
109.05152	2.9
109.06495	0.7
109.07634	1.2
109.08960	0.5
110.03530	13.9
110.06044	8.1
110.09663	1.9
110.97561	1.0
111.04456	3.5
111.09293	0.4
116.98641	1.6
117.07058	0.3
119.01907	1.0
121.03486	0.3
122.06038	1.1
123.04418	2.3
123.06831	1.5
124.03938	0.7
124.05209	0.9
124.07586	7.8
124.11222	3.1
125.02347	1.3
125.04699	0.6
125.06020	2.2
125.06834	0.3
128.04561	8.9
128.98601	2.4
129.03987	0.5
133.01813	0.4
133.03523	0.7
134.04631	1.5
134.06020	14.1
134.09669	2.2
134.99640	0.9
135.03035	13.2
135.04424	9.6
135.05421	0.7
135.06436	0.5
135.08029	0.3
136.07588	0.4
137.08379	0.4
138.05542	0.8
143.03355	1.6
145.03406	0.4
146.97418	0.3
146.99648	4.2
147.05046	0.9
152.05696	100.0
152.07068	60.1
152.10683	14.6
152.11761	0.9
153.01883	3.6
153.04092	49.8
153.05475	7.3
153.07506	1.3
153.11314	0.4
154.02467	1.0
154.04413	0.8
161.01260	0.5
161.02872	0.4
161.06689	0.4
165.00671	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0567
Annotation	guanine
Peak:m/z	Relative Intensity
51.02376	1.3
53.03944	0.6
55.01863	0.9
55.03000	0.6
55.05511	0.5
56.96572	3.5
57.03421	0.7
57.16561	0.3
65.03937	0.7
67.05498	0.9
68.05039	1.4
69.03423	0.9
69.07041	0.4
69.50011	2.7
70.06576	0.5
70.08125	0.3
78.04726	0.4
79.01859	12.2
79.05062	0.6
79.05494	8.5
80.02514	0.4
80.05011	2.0
81.03408	0.8
81.05787	0.3
81.07040	1.2
81.07464	0.3
82.04091	0.7
82.06590	2.0
83.05003	1.6
83.85517	0.3
85.01379	0.5
85.02910	0.5
89.03932	0.4
91.05479	0.9
92.05002	0.4
92.90884	0.3
93.05780	0.6
94.06560	0.7
95.04960	3.1
95.07346	0.7
96.04479	0.5
96.08141	1.0
97.02885	2.1
97.06520	0.6
100.02509	0.6
103.02431	2.9
106.06561	11.1
107.01319	2.8
107.03545	0.6
107.04955	17.2
107.07364	2.1
108.08091	1.5
109.02872	0.8
109.05115	2.4
110.03526	12.4
110.04262	0.7
110.06037	0.9
110.83543	0.4
110.97589	0.7
111.04474	0.8
117.02231	0.3
118.03522	0.6
119.01906	0.8
121.03506	1.8
123.03611	0.4
123.04391	1.9
123.06767	0.4
124.03975	0.7
124.05232	1.0
124.07597	5.1
125.02348	6.0
125.04560	0.4
125.05991	1.3
128.03618	0.5
128.04564	8.1
128.98619	1.4
129.00287	0.5
129.04004	0.4
133.03549	0.4
134.04622	1.2
134.06021	9.5
135.03030	13.6
135.04411	8.0
135.05328	0.4
135.06580	0.5
136.01416	0.5
136.05164	0.6
136.07570	0.9
137.76909	0.3
138.05499	0.3
143.03401	10.6
143.04512	0.6
146.99641	1.4
147.01399	3.6
147.03212	1.1
147.05023	1.4
152.05684	100.0
152.07042	19.7
153.01888	21.9
153.03035	2.8
153.04083	48.2
153.05463	7.5
153.07494	0.8
154.02496	1.3
154.04411	0.7
165.00755	0.4
165.02426	0.8
165.06152	0.6
170.03049	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1481
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
55.01862	2.0
55.05513	7.8
57.07075	18.6
59.05006	1.1
65.03938	1.9
67.05505	55.9
68.05828	0.9
69.07070	12.5
70.16687	3.4
71.08636	5.4
76.68993	0.8
77.03911	1.4
79.05495	8.8
81.07056	46.2
82.07378	1.0
83.06115	1.2
83.08624	3.5
91.05485	6.6
93.07041	10.6
94.46102	0.8
95.04956	6.2
95.08608	100.0
96.08926	3.6
96.29896	0.7
98.21457	0.9
105.07021	8.5
107.04958	1.2
107.08584	7.0
108.05753	1.3
109.06524	12.0
109.10160	91.2
110.07159	2.4
110.10497	2.8
111.07914	4.1
117.70914	1.0
121.06529	1.9
121.10185	1.1
122.07343	0.9
122.10956	1.4
123.03554	1.3
123.04435	12.3
123.08084	12.5
123.10899	1.4
123.11707	9.3
124.28178	0.8
133.10123	3.0
135.08051	1.9
136.08836	14.7
151.02853	1.0
151.03918	3.8
151.04977	1.1
151.07506	2.3
151.11185	80.5
151.14807	13.5
152.07094	0.9
152.11562	4.1
152.15199	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.3
53.03944	0.6
55.01863	0.9
55.03000	0.6
55.05511	0.5
56.96572	3.5
57.03421	0.7
57.16561	0.3
65.03937	0.7
67.05498	0.9
68.05039	1.4
69.03423	0.9
69.07041	0.4
69.50011	2.7
70.06576	0.5
70.08125	0.3
78.04726	0.4
79.01859	12.2
79.05062	0.6
79.05494	8.5
80.02514	0.4
80.05011	2.0
81.03408	0.8
81.05787	0.3
81.07040	1.2
81.07464	0.3
82.04091	0.7
82.06590	2.0
83.05003	1.6
83.85517	0.3
85.01379	0.5
85.02910	0.5
89.03932	0.4
91.05479	0.9
92.05002	0.4
92.90884	0.3
93.05780	0.6
94.06560	0.7
95.04960	3.1
95.07346	0.7
96.04479	0.5
96.08141	1.0
97.02885	2.1
97.06520	0.6
100.02509	0.6
103.02431	2.9
106.06561	11.1
107.01319	2.8
107.03545	0.6
107.04955	17.2
107.07364	2.1
108.08091	1.5
109.02872	0.8
109.05115	2.4
110.03526	12.4
110.04262	0.7
110.06037	0.9
110.83543	0.4
110.97589	0.7
111.04474	0.8
117.02231	0.3
118.03522	0.6
119.01906	0.8
121.03506	1.8
123.03611	0.4
123.04391	1.9
123.06767	0.4
124.03975	0.7
124.05232	1.0
124.07597	5.1
125.02348	6.0
125.04560	0.4
125.05991	1.3
128.03618	0.5
128.04564	8.1
128.98619	1.4
129.00287	0.5
129.04004	0.4
133.03549	0.4
134.04622	1.2
134.06021	9.5
135.03030	13.6
135.04411	8.0
135.05328	0.4
135.06580	0.5
136.01416	0.5
136.05164	0.6
136.07570	0.9
137.76909	0.3
138.05499	0.3
143.03401	10.6
143.04512	0.6
146.99641	1.4
147.01399	3.6
147.03212	1.1
147.05023	1.4
152.05684	100.0
152.07042	19.7
153.01888	21.9
153.03035	2.8
153.04083	48.2
153.05463	7.5
153.07494	0.8
154.02496	1.3
154.04411	0.7
165.00755	0.4
165.02426	0.8
165.06152	0.6
170.03049	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	CARVONE
Peak:m/z	Relative Intensity
51.02378	0.7
51.30140	0.5
53.03958	4.8
55.01863	1.8
55.05512	100.0
56.05847	1.6
56.96473	0.5
57.03438	1.0
57.07076	6.3
59.05006	3.0
65.03925	2.4
67.05505	36.8
68.05021	1.3
68.05843	1.0
69.03445	2.9
69.07070	5.7
70.06580	0.5
71.04987	0.5
71.08628	2.3
71.57763	1.2
79.05494	13.8
80.05830	0.8
81.03431	1.8
81.05804	1.3
81.07057	44.2
82.06565	1.0
83.05010	0.8
83.06112	0.9
83.08611	1.6
91.05479	10.1
92.05806	0.6
93.07041	9.2
95.04368	0.9
95.04972	15.1
95.08609	36.4
96.05752	0.6
96.08142	2.5
96.08897	1.2
97.06533	14.2
97.07563	0.6
98.06898	0.8
103.05502	1.1
105.04546	0.6
105.07034	16.6
106.07392	0.7
107.04968	1.2
107.08597	12.9
108.02056	0.5
108.05713	1.2
108.09423	0.7
109.06520	17.0
109.07641	1.1
109.10158	39.1
110.06073	0.9
110.07240	3.3
110.10494	1.8
111.04410	0.8
111.07963	4.4
119.04978	0.6
121.06444	0.8
121.10124	1.7
123.04430	13.4
123.08061	7.1
123.11695	11.0
124.07597	2.5
124.08724	1.0
125.09628	0.7
133.02887	1.1
133.06517	3.0
133.07463	0.7
133.09216	0.8
133.10132	5.4
136.08836	1.2
141.05432	0.7
151.02835	1.2
151.03914	4.8
151.07541	7.2
151.10052	1.9
151.11194	20.8
151.14799	3.0
152.05859	0.7
152.07053	2.7
152.08112	0.6
152.11644	1.1
169.03461	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1117
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
50.07879	0.4
53.03941	1.1
55.01868	1.8
55.05509	4.5
57.03423	0.9
57.07063	1.7
59.04985	1.4
65.03923	1.5
67.05501	12.8
68.05029	0.7
69.03416	2.1
69.07072	3.3
71.04980	0.5
79.05077	0.5
79.05495	8.3
81.03405	1.4
81.07056	22.3
83.04987	0.9
83.06110	0.9
83.08627	0.4
91.04914	0.5
91.05477	8.9
93.07043	6.8
95.04973	7.4
95.08615	7.8
96.04488	0.5
96.08141	1.0
96.08925	0.8
97.06518	1.8
105.07024	15.4
106.07349	1.1
107.04945	1.2
107.08588	7.6
108.05686	0.5
109.06519	19.3
109.07642	0.8
109.10155	13.9
110.07184	1.2
110.10471	0.7
111.07956	4.3
119.04944	0.6
121.06500	0.9
121.10115	2.7
122.07263	0.7
123.04427	6.8
123.08071	6.6
123.11716	4.9
124.07571	3.1
124.08467	0.9
131.08569	1.0
133.02837	0.8
133.10132	6.8
134.05948	0.5
135.04303	0.6
136.08861	3.3
136.76007	0.5
151.02852	0.9
151.03906	3.4
151.05017	0.9
151.07664	2.9
151.11179	100.0
152.01622	0.5
152.07072	1.3
152.11526	5.0
160.74777	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0753
Annotation	3,5-Dimethyl-4-hydroxy benzaldehyde
Peak:m/z	Relative Intensity
51.02374	0.7
53.03944	4.7
55.01870	1.8
55.05505	0.4
65.03939	4.8
65.96835	0.3
67.05505	2.5
69.03460	0.3
69.07045	0.7
70.21877	1.3
71.04971	0.4
73.01011	0.3
77.03939	1.0
78.04704	5.9
79.05479	2.4
81.03411	0.6
81.07044	2.3
83.04977	0.3
85.82299	0.3
91.05476	53.8
92.05804	1.3
93.07042	2.7
94.82898	0.3
95.04961	13.5
95.08624	1.0
96.05309	0.3
103.05450	0.7
105.04545	2.2
105.07023	5.1
106.04167	5.7
107.05014	0.3
107.08574	2.4
108.05727	0.6
109.05305	0.4
109.06505	1.7
109.10137	0.8
110.03656	0.7
111.04463	0.9
119.04922	0.7
121.06498	100.0
122.06824	3.0
123.08042	1.0
123.11729	0.4
125.05994	0.9
133.10129	3.5
136.05190	0.7
137.04688	0.6
137.05972	0.5
139.07535	17.6
140.07864	0.9
147.27528	0.3
149.07132	2.4
151.07535	39.8
151.11115	3.7
152.06926	2.4
152.08096	0.6
162.20874	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0389
Annotation	Piperonal
Peak:m/z	Relative Intensity
53.00306	8.3
53.03931	0.4
55.01626	0.4
55.01870	5.3
61.05662	0.2
65.03940	12.8
66.04283	0.4
67.05504	10.3
68.05834	0.2
68.99440	0.4
68.99792	6.1
69.03436	0.3
70.02966	0.3
70.24170	0.4
70.24561	0.6
70.85841	0.3
76.07532	0.3
77.29358	0.2
79.05481	0.3
81.07046	0.9
91.05465	0.7
93.03404	17.7
93.07027	0.4
95.04954	1.7
95.08597	1.0
105.07025	0.7
109.06499	0.7
109.10130	0.6
111.04449	3.3
111.07922	0.3
121.02867	16.0
122.03200	0.7
123.04421	7.5
123.08032	0.4
124.03969	0.4
134.05989	0.3
136.05275	0.3
139.18481	0.2
141.27428	0.2
151.03899	100.0
151.11157	0.6
152.03218	0.6
152.04361	3.2
152.07060	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
54.09088	1.0
55.01870	3.2
56.05035	96.8
56.96560	3.8
57.03436	14.7
57.05365	1.8
58.99861	4.6
59.52173	0.9
61.01149	64.7
65.03946	1.4
66.04282	0.9
67.05497	2.0
68.02643	3.7
68.05030	6.9
68.98285	3.1
69.03426	9.1
70.45629	0.9
71.01362	1.0
71.04982	6.5
71.52988	1.0
73.02909	4.6
74.02443	8.1
74.06067	6.6
75.01028	1.0
75.53506	1.0
77.00900	4.0
78.52962	4.2
79.03007	1.1
79.05436	1.1
79.51921	2.7
80.05015	2.4
81.02972	1.7
81.03413	17.6
82.01437	3.4
83.04964	0.9
84.04491	4.5
85.02903	9.6
85.53730	1.1
86.03673	5.2
86.06074	6.1
86.52711	1.3
86.99341	2.9
87.02689	13.1
87.04465	4.0
87.53486	1.9
88.02668	1.9
88.07630	1.7
90.52945	3.0
91.05482	2.8
91.53687	1.0
93.01918	1.1
93.53458	2.4
94.06590	1.7
94.54244	1.3
95.03460	1.2
95.04990	2.5
97.01392	2.1
97.03143	0.9
99.04457	2.3
99.53459	5.9
100.00101	2.7
100.02478	23.5
100.03558	1.2
100.04594	0.9
100.05238	3.6
101.00871	2.6
101.02552	2.4
102.02345	2.0
102.05528	15.2
103.02431	3.0
103.54759	0.9
104.05324	46.5
104.07110	4.0
104.52686	2.0
105.00393	6.5
105.06977	1.1
108.04467	3.7
108.53986	1.1
109.02866	7.9
110.01258	1.1
110.03237	1.0
111.02882	1.0
111.04465	1.4
113.00867	2.5
113.53200	4.1
114.04063	1.4
115.02429	38.0
116.02539	1.7
118.01147	9.0
118.03515	16.9
119.01145	1.3
119.01917	13.7
119.04931	1.5
120.54002	2.1
121.03515	1.5
121.06506	1.6
122.03186	2.2
122.06026	2.4
122.53737	2.2
123.01499	2.0
123.04457	4.8
124.02498	1.5
127.02432	8.2
128.01959	4.3
129.54501	1.8
131.01913	10.9
132.01952	1.4
133.03358	55.4
133.05060	2.0
134.03532	4.5
136.02214	1.6
137.02939	3.2
138.03993	2.5
141.02701	14.9
142.03587	7.2
144.05060	2.2
145.03462	100.0
146.03592	5.1
147.01350	1.2
149.02983	1.7
150.02692	5.8
150.05580	6.7
150.07748	10.3
150.09045	1.4
150.11304	1.3
154.03470	3.7
156.05029	4.6
157.03444	2.8
159.03813	1.5
161.02995	1.7
163.00871	1.6
163.04526	20.2
164.04691	2.1
168.05060	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	149.1324
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03931	3.5
55.01875	1.4
55.05510	6.2
57.07060	4.0
65.03939	46.4
69.07056	6.4
70.88698	2.8
70.89043	1.7
79.05058	1.6
79.05487	17.0
81.07043	3.2
82.01577	1.1
91.05471	27.0
93.03399	9.9
93.07037	24.4
95.04965	6.9
95.08593	1.6
98.03651	1.2
103.05452	5.7
105.07024	49.9
107.08589	48.2
108.08917	1.3
109.06489	6.9
111.04443	10.3
111.33379	1.1
119.06078	1.3
119.08580	17.3
120.05760	1.2
120.09368	2.2
121.02857	40.7
121.03967	10.4
121.06475	1.9
121.10139	100.0
122.03190	3.0
122.10465	5.2
123.08060	8.9
128.06343	1.3
133.07614	2.6
133.10124	5.4
134.10912	5.8
134.86595	1.3
149.02336	62.8
149.09616	6.1
149.13246	15.6
149.76967	1.2
150.02669	3.6
151.83592	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0582
Annotation	D-Methionine
Peak:m/z	Relative Intensity
53.03951	2.2
55.01870	3.6
55.05532	0.7
56.05035	98.2
56.96563	3.5
57.03439	13.6
57.05378	1.1
58.06594	0.7
58.99580	1.0
58.99842	3.2
59.04999	0.8
59.52192	0.6
61.01151	66.0
61.02935	1.2
65.03939	0.6
65.52173	0.8
65.59976	0.5
66.04292	0.8
66.52978	0.8
67.05511	2.0
68.02645	3.3
68.05035	4.5
68.52740	0.8
68.98280	1.3
69.03437	6.6
70.06606	0.8
71.01357	1.5
71.04989	6.3
71.58906	0.6
73.02922	2.8
74.02441	7.1
74.06079	9.1
74.52718	0.8
75.02723	1.0
75.04478	0.9
77.00908	4.0
78.52966	3.2
79.51936	2.1
80.05024	1.8
81.03417	17.2
82.01456	1.7
82.03758	0.8
83.04972	1.0
84.04503	4.5
84.52950	1.3
85.01108	0.7
85.02903	10.0
85.53725	2.7
86.03226	0.8
86.03688	5.0
86.06066	4.5
86.52709	0.9
86.99348	2.6
87.02695	12.4
87.04467	4.1
87.53492	1.4
88.02689	1.9
88.07653	1.3
88.52437	0.9
90.52948	2.8
91.05485	3.1
91.52836	0.7
91.53710	1.0
93.53491	3.3
94.06587	1.5
94.54269	1.9
95.01950	1.7
95.03462	1.3
95.04993	2.3
95.52157	0.7
97.01411	2.3
97.02868	0.5
97.03271	0.5
98.97571	0.6
99.04477	3.0
99.53469	5.9
100.00096	1.6
100.02483	19.5
100.03549	1.2
100.05248	3.9
100.53374	0.7
101.00929	2.5
101.02578	2.1
101.53202	0.7
102.02364	1.2
102.05547	17.9
103.02428	3.5
103.54768	1.1
104.02207	0.6
104.05328	50.0
104.07080	3.7
104.52676	3.0
105.00393	6.0
105.03743	1.1
105.05676	0.6
105.07037	1.1
106.00474	0.9
106.06525	0.7
108.04491	3.4
108.54001	1.0
109.02856	6.8
109.05119	0.8
110.01375	0.7
111.04475	0.6
111.53414	0.8
112.07622	0.6
113.00885	0.7
113.53208	3.8
114.03307	1.2
114.04053	1.4
114.05515	0.9
115.02432	35.1
116.02549	2.1
117.02932	0.5
118.01142	8.6
118.01866	1.1
118.03521	17.6
119.01154	1.3
119.01924	12.1
119.03640	1.7
119.04941	0.9
120.02030	1.0
120.03258	0.9
120.53993	1.5
121.03516	2.2
121.06522	1.4
122.03213	2.3
122.06045	1.4
122.53728	2.2
123.01484	2.7
123.04475	5.4
124.02464	0.9
126.03995	0.9
127.02402	7.6
127.05524	0.5
128.01891	4.2
129.54510	2.6
131.01907	10.0
132.01993	0.8
132.05104	1.7
132.10223	1.2
133.03360	57.4
134.03581	3.4
135.05009	0.7
136.02194	1.2
137.02968	3.3
138.04036	2.2
138.55045	0.7
141.02713	11.6
142.03606	5.7
143.03648	1.2
144.05035	1.0
145.03462	100.0
146.02960	3.7
146.03639	3.6
147.01360	1.2
147.03876	0.7
147.05026	0.9
149.01178	0.8
149.02963	1.5
150.02689	7.2
150.03909	1.3
150.05533	5.7
150.07716	10.6
150.09084	1.5
150.11211	0.8
151.03900	1.7
151.07584	1.1
154.03537	4.0
155.03525	0.6
156.05060	6.3
157.03502	2.8
158.03668	0.7
158.06575	0.8
159.03751	1.9
159.04985	0.7
160.04576	1.1
161.02982	1.1
163.00827	0.8
163.04526	23.7
164.04553	1.8
168.05074	7.2
169.03427	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
51.02365	1.6
53.03947	5.2
55.01864	1.6
55.05507	4.6
56.12515	1.0
65.03606	1.7
65.03937	24.8
67.05509	2.1
69.07077	4.6
69.57353	7.8
72.35434	1.0
77.03916	1.1
79.05492	29.0
81.03398	1.1
81.07047	6.0
91.05479	39.8
93.03410	4.8
93.07040	56.6
95.04957	9.4
98.03637	2.1
98.21478	1.3
103.05492	8.0
103.06100	1.5
105.04511	1.4
105.07030	36.0
106.07816	4.0
107.04951	29.9
107.08588	14.2
108.05247	1.3
109.06506	2.0
111.04430	6.3
111.92036	1.1
115.05441	2.3
116.06229	4.8
117.71577	0.9
119.08598	7.7
121.02866	23.7
121.03968	5.3
121.06527	3.3
121.10139	36.5
122.10511	1.3
123.08035	5.5
129.06984	1.5
131.04970	1.5
131.08559	6.7
133.07588	1.8
134.07330	1.7
149.02339	33.4
149.09619	100.0
149.13261	3.4
150.02629	1.9
150.09970	4.3
155.93434	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.3
55.01864	3.1
55.05510	3.2
57.07082	1.7
63.01327	1.1
65.03941	79.0
66.04267	2.6
67.05502	2.2
69.07057	4.1
69.79019	2.1
69.79415	6.0
79.05494	11.8
79.25073	1.0
79.91058	1.1
81.07058	3.7
91.05478	19.1
93.03404	15.5
93.07038	22.6
95.04958	3.7
96.95194	1.0
98.03664	1.8
103.05442	5.4
105.07034	26.9
106.07851	1.3
107.08596	23.2
108.08877	1.2
109.06500	4.5
111.04449	16.9
119.08582	8.8
121.02866	72.1
121.03963	14.6
121.06501	3.3
121.10143	52.3
122.03205	4.5
122.10473	2.4
123.08064	5.4
131.04938	2.2
131.08585	1.2
133.07570	1.8
133.10162	1.4
134.10944	1.2
138.39256	1.0
149.02341	100.0
149.09625	4.6
149.13297	8.4
150.02658	6.7
150.10118	1.3
167.03395	1.6
169.03502	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	149.0961
Annotation	4-Phenylbutan-2-one
Peak:m/z	Relative Intensity
53.03944	6.9
55.01861	6.7
55.05507	3.5
58.28215	2.9
59.79585	2.7
61.47709	2.9
65.03939	72.0
69.03413	8.4
71.17679	6.4
76.20628	2.8
79.05493	35.3
87.05592	2.6
91.05477	100.0
93.03395	17.0
93.07038	47.2
95.04974	16.5
98.03705	4.2
103.05477	22.0
105.07026	73.5
106.07837	5.4
107.04919	4.9
107.08596	6.5
109.06512	6.1
110.08328	2.7
111.04437	12.0
115.05453	14.0
115.78147	2.9
116.06247	35.8
116.14212	3.3
119.08572	8.4
121.02866	61.4
121.03978	15.4
121.06490	29.3
121.10133	45.7
123.08050	10.9
129.07031	14.4
131.08565	38.5
133.07626	3.6
134.07240	5.2
147.08023	7.4
149.02344	99.0
149.09612	95.6
150.02661	6.8
150.10051	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	149.0597
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
51.02378	1.0
51.42396	0.4
53.03942	4.3
55.01876	0.9
65.03939	25.5
70.58540	1.7
77.03912	0.8
79.05493	51.9
80.05019	0.9
80.05817	1.0
85.26199	0.6
91.05473	9.6
93.03396	5.0
93.07045	24.6
94.07370	1.0
95.04959	8.1
98.03722	1.1
103.05466	100.0
104.05801	4.2
105.04509	1.4
105.07023	2.0
107.04954	26.5
108.04520	0.7
108.05312	0.8
109.07573	0.6
111.04450	5.1
121.02872	22.6
121.03971	4.5
121.06506	9.6
122.06864	0.6
131.04933	4.4
149.02344	33.2
149.05925	3.3
150.02698	1.3
150.05522	0.6
167.03407	0.7
169.03448	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.8
54.36654	0.4
55.01869	1.2
55.49393	0.5
56.73652	0.5
61.01128	0.5
65.03938	28.9
66.04276	0.9
69.02275	0.5
70.24648	1.7
70.81819	0.5
77.03927	1.0
79.05490	49.5
80.05006	0.7
80.05808	1.5
81.21336	0.5
87.79303	0.5
87.80061	0.6
91.05468	9.3
92.05827	0.8
93.03393	5.8
93.07043	25.2
94.06552	0.8
94.07355	0.8
95.04962	8.0
96.73093	0.5
96.90597	0.5
98.03671	0.9
98.20766	0.6
103.05464	100.0
104.05154	0.8
104.05781	4.4
105.04510	1.7
105.07002	2.0
107.04954	25.4
108.04493	1.1
108.05267	0.8
111.04449	6.2
121.02859	26.9
121.03960	5.6
121.06499	11.2
122.03178	0.8
131.04939	4.0
141.41766	0.5
149.02341	38.7
149.05945	4.1
150.02673	1.8
150.05423	0.7
156.46013	0.5
164.61580	0.4
167.03421	0.6
169.03450	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	6.8
57.38778	7.0
70.50556	5.9
71.57076	6.8
84.04506	100.0
85.08439	10.2
102.05540	14.7
104.28671	6.7
119.01917	8.4
130.05016	6.7
152.35172	7.3
160.53545	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	148.0604
Annotation	Glutamate
Peak:m/z	Relative Intensity
56.96569	6.8
57.38778	7.0
70.50556	5.9
71.57076	6.8
84.04506	100.0
85.08439	10.2
102.05540	14.7
104.28671	6.7
119.01917	8.4
130.05016	6.7
152.35172	7.3
160.53545	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	148.0757
Annotation	3-Methyloxindole
Peak:m/z	Relative Intensity
53.03944	1.6
55.01865	2.1
55.05512	4.0
56.05810	0.7
62.37078	0.7
65.03940	61.5
67.05497	2.3
68.99773	1.3
69.07063	5.7
70.58213	2.7
79.05489	16.6
81.07053	11.8
83.04958	0.9
84.04493	1.5
91.05474	12.7
92.05806	2.9
93.03406	12.7
93.07044	33.4
95.04965	6.9
95.08605	1.6
98.03658	2.9
98.21448	0.8
100.07579	1.1
103.05469	29.2
105.04550	1.9
105.07030	91.9
106.07391	5.2
107.08601	20.3
109.06506	1.3
111.04440	15.1
119.04945	3.7
119.08569	2.1
120.04472	1.6
120.05273	1.8
120.08105	1.8
120.08929	2.8
121.02859	65.6
121.03960	12.1
121.06482	3.5
121.10155	9.5
130.06523	40.0
130.07501	1.8
131.04950	4.8
131.06876	0.9
131.08585	1.1
133.05231	0.9
136.20502	0.7
148.03835	1.7
148.07565	60.4
149.02338	100.0
149.05989	2.0
149.07874	3.6
149.09599	3.3
149.13251	7.6
167.03407	2.4
167.50906	0.8
169.03462	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Viridiene
Peak:m/z	Relative Intensity
51.02375	1.0
51.66287	0.7
53.03938	0.9
53.95548	0.7
54.61285	0.5
55.05510	8.8
56.78588	0.6
56.96562	1.3
64.92819	0.9
65.03940	9.8
67.05503	2.3
69.07057	1.8
71.21556	1.5
79.05487	7.6
81.07037	1.6
82.06573	3.3
83.06293	0.6
83.06384	0.9
83.06911	10.5
84.04507	2.4
84.08151	1.2
91.05479	100.0
92.05818	3.8
93.07048	2.4
95.04986	2.3
100.07622	5.8
101.02973	1.0
101.07328	1.4
101.07940	19.9
103.05466	6.0
104.06259	1.5
105.04531	1.3
105.07030	52.3
106.07362	2.9
107.04964	1.9
107.08587	6.3
115.05437	2.5
116.06232	2.3
117.07016	13.9
119.04944	46.0
119.08578	72.8
120.04461	1.5
120.05324	2.6
120.08942	4.2
121.07669	0.7
123.96439	1.4
128.06241	1.3
129.06963	3.4
130.06587	1.2
130.07724	0.9
130.59987	0.6
131.08574	2.6
132.05682	1.6
132.09357	4.7
145.10141	6.7
147.04427	19.5
147.05505	2.3
147.08063	7.3
147.11687	29.8
148.03925	2.3
148.08611	1.1
148.12003	2.2
162.11879	0.6
169.42686	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.0
51.66287	0.7
53.03938	0.9
53.95548	0.7
54.61285	0.5
55.05510	8.8
56.78588	0.6
56.96562	1.3
64.92819	0.9
65.03940	9.8
67.05503	2.3
69.07057	1.8
71.21556	1.5
79.05487	7.6
81.07037	1.6
82.06573	3.3
83.06293	0.6
83.06384	0.9
83.06911	10.5
84.04507	2.4
84.08151	1.2
91.05479	100.0
92.05818	3.8
93.07048	2.4
95.04986	2.3
100.07622	5.8
101.02973	1.0
101.07328	1.4
101.07940	19.9
103.05466	6.0
104.06259	1.5
105.04531	1.3
105.07030	52.3
106.07362	2.9
107.04964	1.9
107.08587	6.3
115.05437	2.5
116.06232	2.3
117.07016	13.9
119.04944	46.0
119.08578	72.8
120.04461	1.5
120.05324	2.6
120.08942	4.2
121.07669	0.7
123.96439	1.4
128.06241	1.3
129.06963	3.4
130.06587	1.2
130.07724	0.9
130.59987	0.6
131.08574	2.6
132.05682	1.6
132.09357	4.7
145.10141	6.7
147.04427	19.5
147.05505	2.3
147.08063	7.3
147.11687	29.8
148.03925	2.3
148.08611	1.1
148.12003	2.2
162.11879	0.6
169.42686	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0803
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
51.02379	1.9
51.94796	0.7
53.03936	2.0
55.01867	1.6
65.03939	6.0
69.81445	5.1
77.03905	1.4
79.05483	4.8
82.06557	2.2
83.06912	6.3
84.04495	2.2
91.05477	100.0
92.05811	3.0
95.04944	2.5
100.07636	3.9
101.03882	1.3
101.07938	11.0
103.05466	2.4
104.06264	1.2
105.07011	8.5
107.04949	67.6
108.05259	1.7
115.05406	1.2
117.07024	10.2
117.90384	0.7
119.04109	1.2
119.04933	21.4
119.08575	42.8
120.04431	1.1
120.05241	1.0
120.08920	1.1
121.50182	0.8
128.06187	5.9
129.03360	1.2
129.04440	0.8
129.06995	4.3
131.04913	4.5
132.05704	30.7
145.06490	4.7
145.10046	0.9
147.03217	1.3
147.04405	25.0
147.08035	77.2
148.04848	1.2
148.08405	3.6
155.06062	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0439
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.03944	0.6
55.05507	1.4
65.03938	13.3
69.51428	1.3
69.51857	1.9
79.05494	1.3
81.07056	0.7
82.06606	0.6
83.06898	3.2
84.04517	0.5
84.66422	0.4
91.05479	100.0
92.05804	4.1
93.07097	0.7
95.04972	0.9
99.27234	0.4
100.07615	1.3
101.07325	0.6
101.07950	5.6
103.05492	1.1
105.04427	0.5
105.07026	15.2
106.07334	0.5
107.08541	0.6
117.07021	2.7
119.04942	69.7
119.08579	12.4
120.04493	0.7
120.05273	3.5
120.08113	0.4
123.96406	0.5
129.06990	0.5
145.10144	0.9
147.04411	22.8
147.08186	1.6
147.11687	4.2
148.03775	0.4
148.04843	1.1
164.66171	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.03942	0.9
55.05508	1.4
65.03938	12.2
70.56812	0.8
70.57161	1.3
71.36221	0.5
79.05482	1.3
82.06580	1.2
82.21713	0.5
83.06898	3.4
91.05481	100.0
92.05820	3.3
95.04961	1.5
100.07639	1.2
101.07945	6.6
103.05468	1.0
105.07032	9.4
105.07681	0.7
107.04985	0.7
117.07031	1.7
119.04942	70.9
119.08575	11.3
120.05254	3.8
120.08914	0.6
128.74913	0.5
129.07042	1.0
143.12038	0.5
145.10176	0.7
147.04420	25.3
147.06305	1.1
147.08253	1.6
147.11674	4.2
148.04851	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.03935	0.5
55.01869	0.6
55.05494	0.9
56.83097	0.3
65.03940	13.4
65.04282	0.8
69.07060	0.6
70.71883	1.2
79.05502	0.6
82.06576	0.9
83.06245	0.5
83.06446	0.5
83.06918	4.2
83.08614	0.8
84.04499	0.6
89.34608	0.4
91.05480	100.0
92.05038	0.4
92.05262	0.4
92.05817	3.6
95.05000	0.9
98.35088	0.5
100.07621	1.7
101.07946	6.0
103.05475	0.9
105.07029	4.2
115.63028	0.4
117.07010	0.6
119.04941	78.5
119.08583	6.0
120.05258	3.9
123.96510	0.5
130.02950	0.6
147.04416	23.2
147.05492	1.8
147.08322	1.3
147.11668	1.7
148.03796	0.6
148.04848	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.05503	2.0
56.05017	0.6
56.96571	4.9
57.03442	0.6
58.06611	3.0
65.03946	0.8
67.04237	1.1
69.03439	1.5
69.07069	8.3
70.06596	1.0
70.98121	0.8
71.04988	0.5
71.07370	2.2
71.27640	1.0
72.08138	3.7
76.70918	0.5
80.05036	0.5
82.06579	53.2
83.06915	2.0
84.08151	1.5
86.09672	0.8
88.99142	0.7
91.05482	8.5
92.01317	0.8
97.02872	0.8
98.97583	3.8
100.07617	100.0
100.11256	47.3
100.11961	0.7
101.07949	3.2
101.11591	1.3
104.90828	0.7
116.98609	3.1
117.41685	0.5
119.01860	0.5
119.04941	5.7
128.07068	2.2
134.99655	1.2
137.02841	0.5
146.06248	0.9
146.08133	15.7
146.91801	0.8
147.03346	0.5
147.04391	1.4
147.08389	0.5
158.99760	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13612	1.1
60.05647	1.9
60.08157	2.8
62.92983	1.5
64.92807	8.1
65.03934	3.8
66.03439	1.1
69.41341	11.8
72.08150	2.0
72.85461	1.1
78.03430	2.9
79.02966	3.7
82.06582	55.0
82.07074	2.7
84.08138	1.2
86.06049	2.0
87.04468	41.2
88.04813	1.1
91.05482	20.8
91.98361	1.2
93.04517	1.8
95.49840	1.2
97.18954	1.1
98.21478	2.4
99.63789	1.2
100.07616	100.0
101.07946	4.4
103.05507	1.7
105.04526	6.6
105.07030	2.3
106.04044	3.6
106.05297	1.8
107.04844	2.4
111.07977	2.8
118.06544	3.2
119.04940	12.0
119.06074	5.1
119.08620	3.2
120.05602	5.9
123.96452	12.5
128.07065	3.3
129.07033	1.7
134.10545	1.2
146.06006	6.5
146.07112	6.4
146.08115	16.6
147.04460	5.6
147.05513	2.7
147.06645	5.4
147.07982	4.5
147.09148	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0811
Annotation	2-Amino-5-oxohexanoate
Peak:m/z	Relative Intensity
51.67640	0.2
55.05495	0.3
67.04247	0.9
69.03426	0.4
69.50751	1.7
72.08150	1.5
80.05002	0.3
82.06575	48.9
82.40913	0.2
83.06899	1.0
84.04506	0.4
84.08133	0.3
86.06072	0.5
87.04468	0.5
100.07610	100.0
101.07928	2.4
119.04977	0.3
128.07063	1.7
130.04985	0.2
146.08110	17.2
147.08458	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64577	1.8
55.51683	1.8
60.05647	2.4
62.92960	3.1
64.92802	11.3
65.03950	2.9
69.40370	18.4
74.45200	1.8
77.53963	1.7
78.03473	2.5
79.02955	4.7
82.06121	3.7
82.06580	60.7
82.79626	1.7
83.06931	1.8
85.19252	1.8
87.04462	28.1
91.05477	23.0
92.05015	2.2
93.04521	3.2
95.04961	2.0
100.07614	100.0
101.07893	3.0
103.05512	2.6
105.04520	11.0
105.07032	4.0
106.04032	5.3
106.05280	3.2
107.00531	2.0
107.04820	3.5
111.07941	3.0
117.06956	3.1
118.06550	2.3
119.04939	12.1
119.06062	7.5
119.08580	3.5
120.05582	7.9
123.96457	20.6
129.07079	1.9
138.06583	2.6
146.04875	2.7
146.05972	11.5
146.07103	11.8
146.07968	11.4
147.04402	5.8
147.05521	4.0
147.06627	6.2
147.07947	6.8
147.09138	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.06
Annotation	3-Methyleneoxindole
Peak:m/z	Relative Intensity
50.65147	0.8
64.77912	0.8
65.03925	1.0
67.12057	0.8
68.72933	0.8
71.46541	1.7
72.08150	1.5
82.06580	27.2
91.05483	33.4
92.05810	1.1
100.07616	56.6
109.33443	1.0
117.05756	6.8
118.06543	100.0
119.04942	1.7
119.06884	4.0
128.04964	14.6
128.07083	1.8
146.06010	47.2
146.08020	11.4
147.06357	2.3
152.88649	0.8
158.30222	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0811
Annotation	2-Amino-5-oxohexanoate
Peak:m/z	Relative Intensity
51.52512	0.3
54.52184	0.3
67.04254	1.3
69.03429	0.4
70.52840	1.1
72.08131	1.3
73.54181	0.3
82.06578	52.0
83.06902	1.2
83.07340	0.3
84.08115	0.3
86.06059	0.5
87.04462	0.6
93.83572	0.3
98.80878	0.3
100.07615	100.0
101.07948	3.2
119.04935	0.6
121.75658	0.3
128.07051	1.9
146.08122	13.8
146.76891	0.3
147.08476	0.4
157.84593	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27804	3.2
54.66729	2.6
69.61350	3.1
69.73620	17.9
69.74040	6.0
75.76350	3.0
81.04530	7.0
95.06091	3.6
101.00886	12.1
105.55885	3.2
118.03517	8.9
119.01921	100.0
124.08685	4.0
136.04521	6.0
137.02956	49.7
142.03531	11.4
143.03387	3.5
152.33987	3.5
157.65669	3.4
160.04601	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	144.1019
Annotation	1,1-Dimethylpyrrolidinium-2-carboxylate
Peak:m/z	Relative Intensity
50.65919	1.0
53.03933	1.5
56.05020	1.0
57.03429	1.2
58.05313	1.6
58.06599	30.4
59.06110	3.6
60.04531	2.2
62.92686	1.5
62.92990	20.7
69.03412	1.4
69.04555	1.4
70.06580	4.1
71.04983	2.1
71.09818	2.4
71.10190	1.3
72.04475	1.1
72.08131	2.5
81.06991	1.1
84.04502	1.2
84.08141	28.6
85.02912	8.2
85.03983	0.9
85.28371	1.1
86.06060	1.4
91.05476	1.4
92.71976	1.0
98.06068	6.9
98.09684	2.1
99.04446	4.2
99.05547	1.4
102.05531	4.6
111.07917	4.5
112.05092	3.8
114.55294	1.1
117.06985	1.5
121.96639	28.6
126.05524	2.0
127.08603	1.3
144.03819	2.1
144.05597	1.9
144.06577	2.4
144.08128	4.5
144.10194	100.0
144.98216	5.5
145.05083	1.2
145.10503	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	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
66.09161	3.5
71.27142	9.9
88.51685	5.0
90.87434	3.5
96.73167	3.5
100.02468	4.6
101.00868	8.2
118.03535	7.8
119.01920	100.0
136.04543	9.3
137.02943	47.8
137.50008	14.6
142.03508	23.4
149.00798	9.0
160.04556	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	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.5
55.05508	7.3
56.05023	4.3
56.96557	3.2
57.03400	1.4
57.66901	1.3
58.99879	1.9
66.82695	1.6
68.05001	2.2
69.03429	2.5
69.07032	1.6
70.06575	4.6
70.99883	1.5
71.28053	2.5
72.04481	1.8
77.00908	3.9
81.03413	1.6
81.04538	11.3
82.06564	2.4
84.08136	3.5
95.06093	5.5
96.08122	15.3
97.07648	5.9
100.07638	1.4
101.00867	14.9
109.02901	1.7
118.01121	3.4
118.03514	5.9
119.01923	100.0
120.01958	1.8
120.52404	1.4
122.22816	1.6
124.08712	2.0
125.07117	3.4
133.89326	1.3
136.04567	3.9
137.02957	43.7
137.04018	2.9
142.03525	9.5
142.08623	3.7
143.03398	15.3
160.04547	6.5
161.02864	1.8
163.80318	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03467	8.3
54.98647	1.5
55.01861	1.1
56.03773	4.4
56.04786	1.9
56.05034	23.6
56.96564	50.7
57.04539	3.1
57.93572	7.7
58.02954	2.6
59.06131	6.3
65.03935	1.7
66.04311	1.2
67.02970	2.4
67.05517	1.9
67.93558	1.7
68.05028	9.8
69.04552	3.2
69.92852	6.7
71.06107	5.5
71.95261	8.3
72.04517	3.3
78.03414	1.4
80.05002	2.5
81.04530	13.6
82.02942	5.2
82.05322	2.9
83.06100	14.6
84.04511	6.4
85.07661	1.5
94.06580	4.0
95.06087	20.2
96.04497	3.8
96.05618	13.9
97.06401	5.2
97.07633	1.7
98.07174	12.1
98.97580	67.9
99.05563	10.4
99.97927	1.4
100.02469	1.8
100.06370	1.5
100.50304	1.2
112.04769	1.8
112.07597	1.2
113.02356	2.3
113.07150	7.3
113.07802	1.4
116.97357	11.4
116.98612	94.6
117.99000	1.4
119.01913	2.1
122.06116	1.6
122.07142	9.4
123.05552	16.6
123.09116	1.5
134.99649	100.0
135.03188	7.6
136.00015	2.0
136.02777	3.3
137.02911	1.5
140.00194	2.6
140.03409	2.4
140.07072	1.7
140.08180	25.0
141.01804	1.5
141.06625	3.8
153.00691	24.3
153.04166	2.8
158.01256	5.7
158.04706	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98633	0.5
56.96564	54.0
58.80644	0.5
63.10708	0.5
70.91127	0.5
71.27886	1.2
71.95265	7.8
76.41178	0.5
81.03410	0.5
86.06152	0.5
98.97581	98.1
99.97916	1.0
100.02467	1.1
116.98616	100.0
117.98907	0.9
134.99654	70.2
135.03157	1.3
136.00011	0.8
137.00012	0.6
140.00214	2.4
153.00706	12.3
153.04294	0.5
158.01231	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	140.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83184	0.8
52.82008	0.9
55.17328	0.9
56.96566	54.8
70.74280	1.5
70.74674	2.2
71.95259	6.7
78.49743	1.0
98.97582	93.1
99.30140	1.0
99.97886	1.5
116.98621	100.0
117.98968	1.9
134.39166	1.0
134.99658	75.6
135.99983	2.0
140.00229	2.2
153.00714	13.3
158.01241	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	139.1117
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
52.01007	3.7
53.03925	7.0
55.01860	19.1
55.05311	3.8
55.05515	51.3
55.82203	4.2
56.05034	7.8
56.96566	44.4
57.03436	11.5
57.07080	13.7
59.05001	55.1
59.92835	4.3
60.60885	4.5
64.31971	4.1
65.03944	33.3
67.05508	42.2
68.99775	15.3
69.03425	48.2
69.07070	89.5
70.06590	6.0
70.07402	4.1
70.75269	9.8
71.05000	5.1
71.06131	4.9
71.35677	4.2
79.05484	62.1
80.05815	6.5
81.07047	38.1
83.04984	48.4
83.06068	5.9
91.05486	19.5
93.03381	13.2
93.07043	99.2
94.07407	4.8
95.04977	27.6
95.06122	6.2
95.08604	90.3
97.02882	6.7
97.06535	100.0
97.10146	5.2
98.07168	18.1
98.97586	76.5
98.98459	12.4
99.05582	4.6
105.04540	4.9
105.07022	37.0
109.06509	11.4
109.10161	5.2
110.07284	7.4
111.04444	70.4
111.08098	14.4
113.07133	7.8
116.97239	9.0
116.98609	85.2
119.08612	8.4
121.10142	89.8
122.07139	12.3
122.10487	5.5
123.05547	12.3
123.08074	10.8
124.08848	7.4
134.99654	78.3
139.03912	90.1
139.11177	88.0
140.08159	9.4
140.11542	5.0
141.06615	9.5
141.95848	4.3
153.00700	14.3
153.27974	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	139.039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00317	0.8
53.03933	2.4
54.03473	1.0
55.01868	8.6
55.05509	8.1
56.05022	1.4
56.96294	1.1
56.96562	16.4
57.04544	1.1
57.93549	2.1
59.04982	1.3
59.06116	0.9
59.68235	0.6
63.04847	0.6
65.03938	24.7
67.01865	3.1
67.05514	3.5
68.05037	0.7
68.99437	0.9
68.99791	13.1
69.03424	9.8
69.07066	7.2
69.71449	4.5
71.01351	1.8
71.95259	2.0
79.05479	2.4
81.07055	2.1
83.04979	12.2
83.06097	0.9
91.05476	1.8
93.03418	7.3
93.07037	5.1
94.06548	1.1
95.04960	3.6
95.06042	0.8
95.08601	3.7
96.04474	0.8
96.05593	1.2
97.02893	3.7
97.06523	4.5
98.07172	4.6
98.20757	1.3
98.97576	17.5
98.98462	4.6
99.05581	1.3
105.06987	0.7
110.03680	1.0
110.07231	0.6
111.04438	49.2
112.04798	2.0
113.07089	0.7
116.97355	3.4
116.98617	25.2
121.02866	2.5
121.03960	0.8
121.10143	2.0
121.96571	0.6
122.06224	1.0
122.07150	4.0
123.05524	2.8
125.02320	0.7
134.99652	34.2
139.03899	100.0
139.07512	2.0
139.09761	1.8
139.11171	3.4
140.00218	0.8
140.03339	0.8
140.04259	3.8
140.08160	2.0
152.37529	0.6
153.00694	10.6
158.01260	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	139.0389
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.00308	0.9
53.03936	1.8
54.03463	0.7
55.01632	0.6
55.01872	7.8
55.05510	5.5
56.05019	0.5
56.96295	0.6
56.96564	9.4
57.93554	1.4
59.04985	0.9
65.03609	1.0
65.03941	17.6
67.01868	2.7
67.05506	3.1
68.99792	10.5
69.03427	7.1
69.07058	1.5
70.06570	0.5
71.01334	1.6
71.06116	0.6
71.58630	0.7
71.95253	1.8
79.05509	1.2
81.07030	0.8
83.04980	10.6
91.05461	0.6
93.03406	7.3
93.07042	2.2
94.06592	0.7
95.04974	1.8
95.06042	0.5
95.08593	1.6
96.04534	0.5
96.05636	0.6
97.02889	3.1
97.06506	1.9
98.07177	2.1
98.97578	11.6
98.98458	2.2
101.55549	0.6
111.04440	42.9
112.04798	1.5
112.08712	0.6
115.03930	0.6
116.97210	1.8
116.98617	17.2
121.02869	1.4
121.04021	0.5
121.10131	1.2
122.06048	0.6
122.07158	1.6
123.05554	1.8
134.98779	0.3
134.99657	19.6
139.03899	100.0
139.09767	1.0
139.11182	1.8
140.00227	0.6
140.03343	0.7
140.04269	3.9
140.08191	1.0
153.00703	4.0
154.84718	0.5
155.68625	0.6
158.01253	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.039
Annotation	2-Hydroxy-5-methylquinone
Peak:m/z	Relative Intensity
53.00307	8.1
53.03948	4.9
54.03481	1.3
54.37360	0.8
55.01869	7.2
55.05514	5.5
56.05030	3.6
56.96561	6.3
59.06116	1.2
65.03604	1.8
65.03941	34.4
67.01864	5.2
67.05502	7.2
68.05018	1.4
68.99796	12.1
69.03428	12.5
69.07063	2.0
70.87885	2.8
71.01350	3.1
71.06132	1.9
71.95271	1.0
79.05513	1.5
81.04542	1.6
81.07072	1.2
83.04973	10.7
83.06123	1.4
93.03407	12.9
93.07047	2.5
94.06557	1.4
95.04971	3.5
95.06049	1.8
95.08597	1.2
96.05626	2.5
97.02901	3.2
97.06486	2.6
97.07671	1.2
98.07179	7.0
98.97579	11.1
98.98458	3.0
99.05578	1.6
106.65096	1.0
111.04446	38.8
112.04794	0.9
112.08681	1.2
113.07169	1.2
116.97272	2.0
116.98615	12.3
121.02868	8.4
121.03663	1.1
121.10139	1.5
122.07167	4.2
123.05537	3.3
125.02323	1.0
134.99666	10.7
139.03905	100.0
139.09755	4.0
140.04257	3.6
140.08197	2.8
153.00705	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	139.0389
Annotation	Sesamol
Peak:m/z	Relative Intensity
52.31057	0.5
53.00303	1.5
53.03939	3.4
54.03464	1.6
55.01870	7.9
55.05497	4.2
56.05022	2.4
56.96564	5.7
57.04540	0.7
57.93551	0.7
59.06102	0.7
65.03940	22.8
67.01857	7.1
67.05505	6.4
68.99789	15.1
69.03427	6.1
69.07055	0.8
70.06596	0.8
70.74479	2.1
71.01348	2.4
71.06096	1.5
74.15450	0.5
81.03400	0.7
81.04539	1.1
83.01308	0.6
83.04976	9.4
83.06090	1.7
88.42178	0.7
90.36623	0.6
91.05463	1.1
93.03407	11.6
93.07044	1.1
95.04955	3.9
95.06075	1.3
95.08589	0.7
96.04482	0.7
96.05615	1.0
97.02864	3.4
97.06449	1.3
98.07180	3.8
98.97576	10.3
98.98467	1.6
99.00838	1.2
109.85488	0.7
111.04443	38.1
112.03979	0.9
112.04755	0.9
112.08704	1.5
113.06940	0.7
116.97296	1.4
116.98614	12.4
121.02860	3.1
121.03983	0.8
122.07166	2.5
123.05561	2.6
133.58861	0.6
134.99658	12.2
139.03899	100.0
139.09789	2.7
139.11195	0.9
140.04271	4.0
140.08194	2.9
141.06633	0.9
153.00681	2.3
158.01346	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0389
Annotation	Gentisate aldehyde
Peak:m/z	Relative Intensity
53.00308	22.9
53.03940	0.4
53.41285	0.4
54.03471	1.0
55.01878	2.1
55.05526	2.1
56.05026	1.1
56.96566	16.7
57.04541	0.6
57.93555	1.5
58.02921	0.6
59.06102	0.5
59.56625	0.4
60.86174	0.4
65.03940	32.1
66.04250	0.8
67.01848	0.7
67.05489	1.3
68.99788	2.2
69.03432	6.3
69.07046	0.8
70.06561	0.5
71.01344	0.5
71.03345	1.0
71.06115	1.1
71.95268	2.5
79.05477	1.1
81.04538	1.0
81.07060	0.9
83.04984	4.0
83.06096	0.9
84.04477	0.6
89.75938	0.3
90.36450	0.4
93.03406	4.0
93.07079	2.1
95.04959	1.1
95.06091	0.9
95.08590	1.0
96.05634	0.8
97.02872	0.9
97.06527	2.2
97.07613	0.5
98.07176	4.4
98.97576	19.4
98.98460	2.8
99.05572	1.4
105.07007	1.1
109.06548	0.5
111.04436	17.6
111.08083	0.6
112.03983	0.5
112.04742	0.6
112.08779	0.5
116.97231	2.6
116.98616	26.8
121.02866	18.1
121.03893	0.6
121.04087	0.5
121.10142	1.6
122.03200	0.7
122.06271	0.4
122.07130	2.3
123.05504	2.6
134.99655	36.9
136.84430	0.4
139.03899	100.0
139.09825	1.0
139.11177	2.2
140.00220	1.1
140.03456	0.6
140.04271	4.8
140.07144	0.7
140.08118	2.7
141.06615	0.7
153.00710	8.4
158.01263	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	139.039
Annotation	Gentisate aldehyde
Peak:m/z	Relative Intensity
51.84205	0.9
53.00306	14.0
53.03950	2.3
54.03458	2.9
55.01874	6.9
55.05515	7.8
56.05033	6.7
56.96568	17.2
57.04543	1.1
57.93546	2.4
58.06587	1.1
59.06120	1.3
60.12677	0.8
65.03941	65.3
66.04266	1.6
67.01873	1.0
67.02982	1.4
67.05515	4.5
68.02651	2.6
68.05019	2.6
68.99787	15.8
69.03437	7.9
69.04528	1.5
69.07079	2.0
69.84522	3.9
69.84931	2.1
70.06559	1.5
71.01340	1.2
71.06092	1.6
71.95274	2.3
79.01861	4.8
79.05451	0.9
81.03426	7.0
81.04543	5.6
81.07039	1.0
82.02951	1.2
83.04982	12.9
83.06101	6.3
84.04491	2.6
91.05486	2.3
93.03407	9.4
93.07037	3.2
94.06553	2.0
95.04974	6.1
95.06093	5.0
95.08627	1.6
96.02103	7.0
96.04475	1.5
96.05617	2.8
97.02896	2.4
97.06475	4.4
98.07178	6.8
98.21477	1.1
98.97586	23.9
98.98463	4.9
99.05562	2.4
100.06360	1.0
111.04446	75.0
112.04766	2.4
112.07523	1.1
112.08737	2.8
113.07120	2.0
116.97226	2.8
116.98618	29.7
121.02866	31.6
121.03944	2.8
121.06534	1.0
122.03248	1.2
122.07153	4.6
123.05563	3.7
125.02359	1.4
134.03014	3.0
134.99663	35.1
139.03906	100.0
139.08693	1.7
139.09744	4.9
139.11116	2.5
140.00140	1.1
140.04301	2.7
140.07251	1.4
140.08160	6.5
153.00719	7.3
158.01265	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0389
Annotation	Sesamol
Peak:m/z	Relative Intensity
51.02377	0.7
53.00304	0.6
53.03944	3.9
55.01873	9.4
55.05504	4.2
56.05030	0.7
56.96552	2.1
59.04991	0.9
65.03611	1.3
65.03943	23.4
67.01875	7.8
67.05508	8.3
68.05048	0.7
68.99790	19.7
69.03429	5.3
70.04247	2.0
71.01353	3.6
75.18535	0.6
82.32885	0.5
83.04978	9.6
93.03413	16.9
93.07035	0.6
95.04971	3.9
95.06078	0.8
97.02883	3.6
97.06475	0.7
98.07178	1.2
98.97580	4.5
98.98447	0.7
99.00803	0.9
111.04443	37.0
112.04773	1.1
112.08731	0.7
116.98631	6.4
121.02876	3.0
121.03944	0.6
122.07130	1.2
123.05573	0.9
134.99660	4.7
139.03903	100.0
139.09790	1.2
140.04231	3.8
140.08151	1.8
141.00887	0.5
153.00732	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0913
Annotation	Tyramine
Peak:m/z	Relative Intensity
53.03941	3.7
53.14672	1.4
56.96561	9.0
58.87118	1.4
65.03935	3.5
65.71461	1.4
66.04266	1.9
67.49794	1.3
69.62582	4.8
69.63004	6.6
70.81136	1.5
79.61613	1.5
82.06571	7.5
82.07369	1.6
91.05476	17.7
92.05811	30.6
93.07042	22.2
94.06572	2.5
95.04981	6.0
98.33448	1.4
98.97575	2.0
100.11223	1.5
103.05467	16.7
111.04362	1.9
119.01852	2.1
120.05257	8.7
121.06503	100.0
122.06837	4.5
134.02992	2.2
137.80443	1.7
138.06354	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	138.055
Annotation	Trigonelline
Peak:m/z	Relative Intensity
51.02377	0.2
53.03944	1.0
54.30534	0.2
62.72743	0.1
65.03938	2.8
67.05495	1.7
70.73508	0.4
70.73838	0.2
75.67681	0.1
75.70107	0.2
78.03468	0.9
79.04244	0.4
82.06577	0.3
92.05005	5.2
93.05784	1.8
94.06565	29.0
95.04978	0.4
95.06328	0.2
95.06875	1.1
96.04488	5.4
108.55196	0.2
110.06040	26.0
111.06374	0.6
114.58554	0.2
136.03914	0.3
138.05498	100.0
139.05833	4.0
154.05000	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	alpha-Terpinene
Peak:m/z	Relative Intensity
51.02380	0.7
51.47813	0.6
53.03947	4.3
53.96962	0.6
55.01889	1.0
55.05511	6.8
56.96563	1.8
57.07075	8.2
57.20035	0.6
65.03946	4.2
66.04723	3.9
67.05503	34.1
68.05833	0.8
68.41647	0.6
69.03434	0.7
69.04574	0.7
69.07065	7.5
69.60839	4.1
71.08633	0.9
79.05493	17.6
80.04952	0.6
81.03403	3.2
81.04533	1.0
81.07054	90.1
82.06607	0.8
82.07388	3.0
91.05475	11.0
92.04981	0.7
93.07037	8.3
94.04191	27.7
94.06592	1.0
94.07365	0.8
95.04994	5.9
95.08605	100.0
96.04513	0.9
96.05598	1.0
96.08952	4.3
97.06439	3.0
97.25404	0.7
98.21556	1.2
105.04519	0.9
107.04946	4.8
107.08609	1.3
109.06494	4.6
109.10154	7.4
110.06009	2.4
110.07159	2.4
111.05568	0.6
119.04917	1.9
119.08530	0.8
122.03649	30.5
122.07286	1.8
123.04016	1.3
135.11684	0.7
137.02467	7.7
137.05971	37.1
137.08124	1.2
137.09608	2.8
137.13242	7.6
138.01727	2.4
138.05487	5.0
138.06386	2.2
156.58531	0.7
158.85365	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	alpha-Terpinene
Peak:m/z	Relative Intensity
50.47524	0.9
51.02362	0.9
53.03939	4.8
54.03452	1.3
55.01863	2.0
55.05507	7.0
56.03767	1.4
56.05027	1.6
56.96567	2.6
57.07079	13.0
60.07959	0.9
60.52455	0.9
65.03938	6.0
66.04720	11.3
67.05504	45.6
68.05012	1.8
69.03416	2.3
69.04533	2.5
69.07059	8.2
72.04501	2.1
77.03925	1.4
79.05492	19.9
80.05029	1.1
81.03430	6.1
81.04536	4.7
81.07057	76.6
82.06588	2.3
82.07391	2.7
83.06100	2.3
91.05479	24.0
92.05793	2.0
93.07042	15.0
94.04186	66.6
94.06564	3.7
95.04983	10.4
95.06081	2.3
95.08607	100.0
96.04490	2.1
96.05620	2.9
96.08940	3.2
97.04025	1.3
97.06396	11.6
97.07642	1.3
98.04790	2.6
103.05483	1.3
105.04526	2.0
107.04962	14.9
107.08616	1.7
109.02857	1.5
109.06532	9.1
109.10158	18.9
110.01468	1.2
110.06042	4.0
110.07188	7.0
111.05576	3.2
119.04928	4.4
119.08575	4.3
120.04465	1.9
120.05564	1.1
121.06506	4.7
122.03648	70.4
122.07278	25.5
123.03956	4.8
123.06828	1.2
123.07616	1.7
137.02473	11.7
137.05972	83.2
137.08107	5.3
137.09627	18.3
137.10658	1.0
137.13248	6.6
138.01805	4.6
138.05478	10.2
138.06447	6.8
138.09120	1.4
138.10197	3.5
143.77843	1.0
156.90289	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1324
Annotation	(R)-(-)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03944	1.9
55.05510	8.4
56.96552	2.1
57.07073	16.4
65.03954	1.7
66.04700	2.8
67.05500	29.9
68.05829	1.0
69.07066	7.0
70.33437	4.3
78.56608	0.9
79.05482	12.1
81.07049	78.1
82.07381	3.2
87.64645	1.2
91.05472	3.9
93.07024	8.7
94.04182	12.5
95.04990	1.8
95.08600	100.0
96.08913	4.6
107.04978	1.1
107.08614	1.3
109.06517	2.4
109.10139	8.2
112.10053	1.0
112.25811	1.1
122.03645	15.8
137.02420	1.8
137.05974	17.2
137.13249	7.9
138.05440	1.2
138.06401	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	alpha-Terpinene
Peak:m/z	Relative Intensity
51.02370	1.1
53.03944	4.1
55.01849	1.4
55.05507	7.4
56.96560	2.8
57.07074	10.6
65.03938	4.2
66.04730	7.2
67.05502	34.9
68.05021	1.4
69.04554	1.3
69.07062	7.2
71.58651	1.6
76.13403	0.7
79.05489	16.3
80.05843	0.9
81.03432	3.9
81.04558	0.9
81.07054	85.1
82.06578	1.0
82.07385	2.6
91.05482	10.4
92.04990	1.1
92.05801	0.9
93.07044	11.2
94.04182	43.4
94.06544	2.1
95.04477	0.9
95.04988	6.1
95.08602	100.0
96.04503	1.7
96.08961	4.6
97.06379	4.6
98.04819	1.2
98.97600	0.9
105.04504	1.5
107.04938	3.6
107.08591	1.2
108.09344	0.8
109.06503	5.0
109.10149	10.1
110.06026	2.1
110.07150	2.2
111.05547	0.8
115.86298	0.7
119.04938	1.8
119.08588	1.5
120.04449	1.6
122.03642	42.5
122.07269	1.8
123.03969	2.1
125.06023	0.8
135.11656	0.9
137.02458	8.6
137.05966	53.3
137.09589	2.1
137.13246	5.9
138.01753	2.7
138.05481	6.3
138.06422	4.1
138.07471	0.7
138.09146	1.2
142.40352	0.7
151.90752	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03945	4.7
54.03467	2.1
55.01866	2.1
55.05513	3.2
56.03753	0.7
56.05024	0.5
57.07075	1.7
57.50521	0.5
65.03935	3.5
66.04721	4.2
67.01828	0.5
67.05502	37.0
68.05027	1.6
68.05840	0.8
69.03437	2.6
69.04548	2.1
69.07043	1.3
69.59187	4.1
70.02968	0.6
70.67469	0.5
72.04515	0.8
77.03924	0.8
78.04691	0.9
79.05490	10.7
80.05016	0.9
81.03426	6.3
81.04531	6.6
81.07053	20.1
82.06569	1.3
82.07384	0.7
82.16124	0.5
83.04986	0.6
83.06102	1.9
91.05478	26.0
92.05817	1.0
93.04542	0.7
93.07041	8.6
94.04182	27.0
94.06557	1.0
94.07824	1.4
95.04451	1.1
95.04980	10.0
95.06087	1.5
95.08604	18.7
96.04498	1.4
96.05618	2.3
97.04028	0.6
97.06394	8.9
97.07653	1.4
98.04789	1.1
103.05470	1.5
104.06264	1.3
105.03420	0.6
105.04518	1.4
107.04952	33.2
107.08569	2.6
109.02868	0.9
109.06524	8.7
109.07655	0.7
109.10152	31.6
110.06050	1.1
110.07178	6.1
110.07906	1.0
110.10524	1.0
111.05556	2.1
115.05466	0.6
117.07020	2.8
119.04946	2.8
119.08578	14.7
120.04477	0.5
120.05587	0.7
121.06508	9.4
122.02737	1.1
122.03647	30.9
122.07281	100.0
123.03979	1.1
123.06839	0.9
123.07643	3.3
127.03916	0.7
135.08060	4.4
137.02405	8.3
137.03470	1.2
137.05974	40.2
137.08086	3.3
137.09613	65.1
138.01733	1.4
138.05524	3.3
138.06371	3.3
138.07492	0.4
138.09065	1.4
138.10040	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	137.096
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03952	3.2
55.01867	1.2
55.05506	4.1
56.96568	0.8
57.07052	1.1
62.93428	0.5
65.03917	2.2
66.04724	3.3
67.05502	35.4
67.72274	0.6
68.05026	0.8
69.03414	2.3
69.04533	1.1
69.07050	1.9
71.12988	0.8
71.13303	0.8
77.03919	0.8
79.05490	7.2
81.03407	2.9
81.04514	2.2
81.07053	14.9
82.06558	0.6
82.07381	0.7
91.05477	20.3
92.05780	0.6
93.07051	6.4
94.04182	22.8
94.06545	1.1
94.07798	1.9
95.04980	5.4
95.08597	12.8
96.05621	1.3
97.06395	4.1
97.07642	0.8
103.05444	1.6
104.06255	1.3
105.04471	0.7
107.04947	27.8
107.08585	3.2
108.05254	1.0
109.06516	5.2
109.10149	30.8
110.06026	1.3
110.07153	3.6
110.10478	0.7
117.07009	2.8
119.04900	0.9
119.08570	14.9
121.06497	9.9
122.03647	26.1
122.07278	100.0
123.03980	1.6
123.07624	3.7
135.08041	4.2
137.02457	4.1
137.05974	32.1
137.09608	67.6
138.01729	1.0
138.05484	3.9
138.06403	1.8
138.09973	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
55.01867	0.9
55.05508	2.4
57.07074	0.4
65.03938	1.5
66.04720	0.7
67.05502	28.9
68.05843	0.5
69.03422	1.5
69.07057	1.6
70.48445	0.9
70.81789	0.3
77.03904	0.7
78.04703	0.5
79.05493	5.4
81.03422	0.7
81.07056	9.5
84.31850	0.3
91.05474	14.9
92.05833	0.5
93.07047	3.9
94.04179	4.9
94.07808	2.1
95.04964	4.0
95.08059	0.5
95.08612	7.2
95.86040	0.3
97.06382	0.5
103.05459	2.2
104.06240	1.2
105.04514	0.8
107.04950	30.3
107.08605	1.6
108.05279	0.7
109.06536	1.6
109.10151	28.1
110.07166	0.6
110.10483	1.0
112.64860	0.3
115.05434	0.4
117.06982	1.7
119.04906	0.5
119.08577	14.6
120.08940	0.6
121.06503	10.2
122.03662	6.9
122.07278	100.0
123.07613	3.5
135.08044	4.5
137.02423	0.7
137.05986	7.4
137.09607	60.2
138.06369	0.5
138.09933	2.9
148.49326	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03950	5.9
54.03471	1.0
55.01859	2.3
55.05504	5.6
56.96553	1.6
57.07064	2.3
65.03936	5.3
66.04716	7.3
67.05500	40.7
69.03413	3.1
69.04542	1.7
69.07056	3.0
70.34342	3.6
72.04482	1.4
77.03913	1.0
79.05488	16.6
80.05006	0.9
81.03403	3.4
81.04532	3.2
81.07051	24.6
83.06113	1.1
91.05476	28.2
92.05813	0.9
93.03429	0.9
93.07037	9.2
94.04182	41.0
94.06566	1.7
94.07815	2.4
95.04414	0.7
95.04965	13.0
95.06063	0.9
95.08601	21.7
96.04446	1.4
96.05573	1.9
97.06384	7.3
97.07722	1.0
103.05453	2.4
104.06193	1.9
105.04513	3.1
107.04948	39.5
107.08571	2.3
108.05289	0.9
109.02858	1.0
109.06504	9.1
109.10148	33.0
110.01432	0.8
110.06029	2.3
110.07172	6.5
110.10449	0.9
111.04455	0.8
117.07014	2.3
119.04932	1.9
119.08579	16.1
120.04428	0.9
121.06491	10.9
122.02737	1.7
122.03641	44.6
122.07278	100.0
123.03999	1.8
123.07616	4.4
133.80272	0.7
135.08054	4.4
137.02484	8.4
137.05969	53.8
137.08229	2.2
137.09604	64.2
137.13269	1.0
138.01752	2.3
138.05466	5.9
138.06448	2.6
138.09976	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	137.0961
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03935	2.9
55.01860	1.2
55.05511	2.5
57.07069	0.8
65.03945	2.6
66.04430	0.4
66.04728	5.1
67.05505	29.2
69.03441	2.2
69.07055	1.7
71.58736	0.5
77.03912	1.0
78.04692	0.8
79.05051	0.7
79.05490	7.7
81.03410	1.7
81.04530	0.7
81.07057	13.0
82.07387	0.6
91.05488	18.7
92.05812	1.0
93.07043	6.1
94.04189	27.6
94.07810	1.9
95.04453	0.6
95.04973	5.7
95.06096	0.4
95.08608	8.7
97.06422	2.5
99.96724	0.4
103.05447	1.3
104.06274	1.0
105.03382	0.6
105.04510	1.0
105.07050	0.5
107.04955	29.2
107.08571	1.6
108.05263	0.8
109.06536	2.2
109.10155	29.3
110.07148	1.9
110.10468	1.0
111.05560	0.5
115.05440	0.7
117.07027	1.5
119.04924	1.3
119.08582	13.3
120.05619	0.6
120.08909	0.6
121.06505	10.4
122.03655	32.8
122.07284	100.0
123.04013	1.2
123.07657	3.4
135.04362	0.5
135.08047	3.8
137.02400	1.8
137.05981	36.7
137.09615	64.0
138.01736	0.5
138.05432	1.0
138.06380	1.7
138.10008	3.3
141.68715	0.4
158.47588	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
50.01598	0.6
51.02349	0.7
53.03946	4.8
54.03466	1.2
55.01862	3.5
55.05509	7.5
58.76958	0.7
65.03932	6.1
66.04713	3.0
66.55160	0.7
67.05502	67.3
68.05835	2.1
69.03428	3.7
69.04549	0.9
69.07056	3.4
69.14981	0.6
70.15754	2.7
77.03909	0.7
79.01943	0.7
79.05489	14.2
79.29091	0.7
80.05019	1.2
81.03426	7.0
81.04534	2.2
81.07052	25.3
82.06577	0.9
82.11678	0.6
83.04972	3.2
83.06108	1.1
90.71901	0.6
91.05477	43.2
92.05807	1.4
93.07039	10.0
94.04183	23.4
94.06580	1.0
94.07806	2.6
95.04969	19.0
95.08602	14.0
96.05718	1.2
96.06371	0.7
97.06397	5.6
97.07637	1.2
103.05456	2.9
104.06250	1.6
105.04524	1.9
105.07031	1.4
107.04948	35.5
107.08574	4.8
108.05730	2.6
109.02846	1.0
109.06515	42.6
109.10149	44.9
110.06055	0.8
110.07213	3.4
110.10473	2.0
111.05563	1.5
115.05402	0.9
117.07011	4.0
119.04948	3.5
119.06042	1.9
119.08578	17.5
121.06512	10.6
122.02760	1.0
122.03648	22.1
122.07280	100.0
123.07603	3.2
135.08044	4.3
137.02377	3.3
137.03421	1.6
137.05974	30.5
137.09612	74.5
138.01706	1.0
138.05458	2.2
138.06528	2.1
138.09990	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	137.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.5
52.13950	0.8
53.03931	5.1
54.03455	3.3
54.68380	1.0
54.95202	0.8
55.01864	2.6
55.05511	5.5
56.03762	1.2
56.05029	1.3
56.96550	3.3
65.03923	6.8
66.04721	10.7
67.01804	1.0
67.05503	35.7
68.05023	1.8
68.05817	0.8
69.03416	2.0
69.04537	3.4
69.07064	2.2
70.02942	1.4
71.58004	1.8
72.04515	1.5
76.06458	0.8
77.03913	1.2
79.05487	11.5
79.52671	0.9
80.05032	1.0
81.03424	5.1
81.04539	7.0
81.07053	19.3
82.06577	1.3
83.06110	1.0
91.04903	1.2
91.05475	21.6
92.05029	1.5
92.05763	1.7
93.04536	1.3
93.07043	9.4
94.04184	70.4
94.06569	2.9
94.07325	0.8
95.04528	1.3
95.04990	10.6
95.06070	1.9
95.08595	11.9
96.05581	3.0
96.06865	1.3
97.06396	11.5
98.04793	1.3
105.03389	1.0
107.04954	9.9
107.08573	2.4
109.02887	1.4
109.06516	11.7
109.10155	24.9
110.06013	2.8
110.07167	8.1
110.10459	1.6
111.05581	1.9
119.04935	3.7
119.08572	3.6
120.04486	1.6
120.05548	1.3
121.06504	1.2
121.07676	1.0
122.03648	81.1
122.07270	17.3
123.03975	3.7
123.07645	1.1
123.15850	0.8
133.40390	0.9
135.04462	1.0
135.08099	1.2
137.02405	11.2
137.05969	100.0
137.09619	16.5
137.10640	1.2
138.01703	2.4
138.05481	8.7
138.06464	4.3
138.10191	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02373	1.4
53.03929	2.3
55.01862	0.8
55.05499	1.9
57.07043	1.1
61.88232	0.9
65.03943	4.7
66.04720	9.4
66.52569	0.7
66.72797	0.7
66.73457	0.7
67.05505	11.8
68.99803	0.8
69.04546	0.9
69.07058	1.5
69.33892	0.8
69.50024	0.7
70.59225	1.2
70.59601	2.6
72.04504	1.0
79.05486	8.5
80.43253	0.9
81.03416	1.7
81.04534	1.9
81.07056	12.3
91.05480	26.5
92.05808	1.6
93.07048	3.0
94.04185	69.4
95.04452	1.8
95.05005	4.9
95.08607	16.8
96.04475	1.0
97.06396	4.9
101.18552	0.8
103.25609	0.9
105.03380	0.9
105.04458	0.9
107.04953	6.0
109.06525	4.8
109.10160	5.6
110.07163	2.4
119.04978	5.5
119.08603	2.2
119.14517	1.0
121.06473	1.1
122.03645	74.6
122.07288	8.8
123.03971	1.6
127.46908	0.8
137.02431	2.3
137.05978	100.0
137.09578	7.9
137.13173	1.0
138.06406	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	137.0597
Annotation	Toluate
Peak:m/z	Relative Intensity
50.01592	0.2
53.03949	0.7
55.01875	0.5
55.05516	0.4
56.96564	1.4
57.03440	0.9
65.03940	10.8
66.04312	0.3
66.04739	0.3
67.05503	0.6
68.05034	0.3
68.23752	0.3
68.99796	2.9
69.03432	0.5
69.07082	0.3
70.82504	0.3
70.82861	0.7
70.98108	0.3
78.03446	0.7
79.05500	3.2
81.03417	0.6
81.07051	5.6
82.06583	1.2
83.71899	0.2
84.08147	0.6
86.17380	0.3
91.05479	100.0
92.04995	0.3
92.05810	3.6
92.06310	0.5
93.07037	3.2
94.04175	2.4
95.04974	1.8
95.08573	0.3
96.08155	0.3
97.96811	0.3
97.99145	0.2
100.11263	0.4
103.05474	1.7
107.04948	0.7
109.06511	5.0
110.06018	0.4
110.06941	0.3
119.04941	25.7
120.05283	0.9
121.06503	13.8
122.03644	1.3
137.05942	23.9
137.11543	0.5
138.06297	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.00129	0.4
51.02385	0.9
52.60558	0.5
53.03951	3.2
54.03464	1.9
55.01872	2.0
55.05511	2.9
56.03770	0.7
56.05036	0.9
56.96562	3.2
57.03405	0.6
58.26908	0.4
59.06123	0.5
65.03942	4.3
65.52020	0.5
66.04720	11.9
67.05502	16.7
68.05016	1.6
68.99783	0.7
69.03419	1.9
69.04548	1.9
69.07059	1.0
70.06591	0.8
71.27125	1.1
72.04521	1.0
77.03952	1.2
79.05053	0.8
79.05489	8.6
80.05000	0.7
81.03413	3.2
81.04539	4.9
81.07056	10.3
82.06572	2.0
83.04991	0.5
83.06098	1.4
84.24776	0.5
91.05477	16.0
92.04984	0.7
92.05805	1.2
93.04536	0.7
93.07037	5.1
94.04182	74.4
94.06581	2.6
95.04490	1.4
95.04998	6.7
95.06078	1.5
95.08600	6.5
96.04498	1.6
96.05615	2.2
97.06394	9.9
97.07674	1.2
98.04777	0.9
103.05495	0.6
105.03376	1.1
105.04521	1.1
107.04955	6.9
107.08591	0.9
109.02943	0.6
109.06506	7.3
109.07633	1.0
109.10159	7.6
110.06027	2.2
110.07160	6.8
111.05592	3.2
111.06205	0.5
119.04936	3.2
119.06046	0.6
119.08578	1.6
120.04452	0.6
120.05636	1.2
121.06493	0.9
121.07600	0.8
122.03645	82.3
122.07271	6.9
123.03947	2.4
133.06505	0.6
135.04398	1.1
137.02484	5.5
137.05969	100.0
137.09613	8.7
137.10651	0.7
138.01755	1.6
138.05470	6.5
138.06409	4.4
138.10184	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02364	1.6
53.03936	1.8
56.06194	1.3
65.03923	3.7
66.04720	13.0
70.84181	4.3
72.55959	1.1
77.03937	1.7
78.86014	1.2
79.05486	6.3
81.07036	2.5
91.05468	6.4
94.04182	82.4
107.04919	3.1
122.03643	93.5
123.03971	2.4
137.05971	100.0
138.06288	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02388	0.6
53.03937	2.1
54.03479	0.7
55.01863	1.1
55.05506	2.1
55.99047	0.5
65.03931	3.1
66.04721	10.5
67.05505	8.5
69.03419	1.6
71.04173	1.2
71.04543	0.6
71.34638	0.5
71.72768	0.5
77.03931	1.0
79.05492	6.7
81.03401	1.0
81.04536	2.3
81.07054	5.9
83.06124	0.6
87.81879	0.5
91.05484	7.8
93.07030	2.4
94.04186	63.8
95.04514	1.1
95.05002	4.6
95.06083	0.8
95.08585	3.4
96.04487	0.8
96.05615	0.8
97.06403	3.2
98.06697	0.5
105.03372	1.2
105.04504	0.6
107.04953	2.4
107.08604	0.6
109.06517	2.6
109.10171	3.5
110.07175	3.0
111.05563	1.2
118.89922	0.6
119.04927	0.7
119.08595	0.6
122.03646	72.8
122.07275	2.7
123.04005	1.6
135.04454	1.1
137.05977	100.0
137.08209	1.9
137.09598	3.5
138.05458	1.2
138.06342	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	137.0598
Annotation	Toluate
Peak:m/z	Relative Intensity
53.03960	0.3
56.96582	0.3
57.03460	0.2
63.02378	0.3
65.03941	8.9
66.04310	0.2
68.99794	1.1
69.03436	0.2
69.62764	1.2
69.63165	0.3
79.05491	1.5
81.03504	0.2
81.07062	3.5
81.07517	0.2
88.80034	0.2
90.63474	0.2
91.05481	100.0
92.05811	4.1
93.07030	1.2
94.04149	0.9
94.98571	0.2
95.04424	0.3
95.04977	0.5
103.05481	0.8
107.04951	0.5
109.06521	4.1
110.03545	0.4
110.06062	0.3
111.04401	0.2
119.04942	28.2
120.03880	0.6
120.05241	1.2
121.05088	0.6
121.06504	5.9
137.04581	1.6
137.05905	23.4
138.05405	0.3
138.06279	0.7
142.03539	0.2
153.43523	0.2
154.72707	0.2
155.01836	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02380	0.9
51.98527	0.5
53.03948	2.6
55.01876	1.1
55.05516	1.0
56.02521	0.7
56.96572	0.8
65.03946	3.5
66.04728	12.2
67.05191	0.6
67.05506	4.6
69.03433	1.0
70.04623	2.9
77.03925	1.1
79.05486	7.0
81.03425	1.9
81.07060	6.3
91.05491	9.0
93.07042	2.3
94.04185	71.3
95.04486	1.5
95.04977	4.5
95.08639	3.6
105.03362	0.9
107.04967	3.0
109.06541	3.8
109.10157	1.3
109.19256	0.5
110.06104	0.7
110.06903	0.5
119.04941	0.8
120.54260	0.5
122.03648	84.6
122.07264	1.9
123.03996	3.3
135.04402	1.2
137.02522	3.7
137.05975	100.0
137.09538	3.4
138.01744	1.5
138.05482	0.8
138.06334	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	137.0598
Annotation	Toluate
Peak:m/z	Relative Intensity
51.02375	0.3
51.83054	0.2
52.39991	0.2
53.03951	0.3
55.01864	0.3
55.05518	0.4
56.96560	1.7
57.03434	0.4
65.03938	9.7
67.05501	0.7
68.25160	0.2
68.99813	0.2
69.03425	0.3
69.07088	0.2
70.65662	0.6
71.05001	0.4
78.03452	0.2
78.19261	0.2
78.26835	0.2
79.05492	1.2
81.03429	0.5
81.07047	2.4
84.08144	1.9
85.02925	0.3
91.05477	100.0
92.01313	0.2
92.05000	0.9
92.05809	3.7
93.05789	0.3
93.07040	1.0
94.04173	1.2
94.06566	7.2
95.04948	0.4
96.01521	0.2
96.04501	1.5
97.02908	0.3
98.97591	0.6
100.00105	0.2
100.02502	0.2
100.11257	0.7
103.02448	0.6
103.05473	0.7
107.04943	0.3
109.06503	2.2
110.06039	6.3
115.02425	0.2
115.97824	0.3
116.98643	0.3
118.01093	0.4
119.01909	0.7
119.04937	26.1
120.03937	0.2
120.05267	1.4
121.03460	0.3
121.06495	5.0
122.03669	0.4
126.02618	0.2
131.01889	0.6
132.02017	0.7
132.21855	0.2
133.01677	0.5
133.03447	2.2
134.99658	0.3
137.04636	0.4
137.05948	18.7
138.05493	28.8
143.01859	0.3
146.99580	0.3
150.03059	0.2
151.04500	0.7
154.04958	0.4
155.01823	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02372	1.6
51.96366	0.8
53.03927	3.5
53.33340	0.7
55.01880	1.1
55.05511	1.1
56.03758	0.8
57.64608	0.6
57.70194	0.8
60.25362	0.9
62.95026	0.9
65.03931	4.3
66.04433	0.9
66.04725	11.1
67.05501	9.2
68.05022	0.9
69.03423	1.1
69.07053	1.2
70.71597	2.4
73.45349	0.7
74.48952	0.9
77.03937	1.4
79.05491	8.9
81.03428	1.9
81.04516	2.2
81.07047	9.1
82.06593	0.7
83.06047	0.7
83.34305	0.8
87.81007	0.8
91.04963	1.2
91.05479	12.7
92.05820	1.2
93.07050	2.8
94.04186	71.6
94.06568	2.1
95.04450	1.7
95.04648	1.1
95.05010	5.7
95.08607	5.8
96.04494	1.2
97.06383	3.6
105.03356	1.4
105.93421	0.7
107.04958	5.5
109.06487	4.3
109.10159	4.3
110.06028	1.5
110.07153	3.2
119.04921	2.3
119.08579	2.2
121.06489	0.8
122.03646	83.1
122.07278	13.4
123.03956	2.3
137.02502	5.2
137.05971	100.0
137.08163	2.3
137.09583	8.7
138.01797	1.3
138.05482	6.3
138.06419	3.2
138.16258	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03933	2.5
55.01865	1.6
65.03929	2.8
66.04715	7.8
67.05502	2.5
70.23669	1.4
70.24059	1.6
75.45877	0.7
77.03942	0.8
79.05492	6.4
79.98706	0.7
81.07049	3.6
91.05491	6.3
93.07051	1.2
94.04182	60.3
95.04475	1.9
95.04984	2.8
95.08595	2.4
97.06386	1.2
98.21445	0.8
105.03432	1.3
107.04962	2.5
109.06526	1.8
109.10122	0.9
122.03645	78.4
123.03976	4.0
137.02435	1.9
137.05974	100.0
138.05388	1.1
138.06314	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	136.1121
Annotation	4-ISOPROPYLANILINE
Peak:m/z	Relative Intensity
53.03931	5.4
54.03455	2.6
55.05510	13.8
57.65851	1.9
62.76649	1.8
65.03931	6.7
66.04714	3.0
67.05501	39.5
67.33047	1.7
68.05010	6.3
69.07056	2.2
71.17377	4.5
75.72609	1.6
77.06798	2.0
79.05498	9.4
80.05012	13.4
81.03400	3.1
81.04556	3.7
81.05786	2.8
81.07057	8.5
82.06577	20.2
91.05482	25.8
93.05765	4.2
93.07067	4.9
94.04188	30.6
94.06567	100.0
95.04964	6.7
95.06085	3.8
95.08590	2.0
96.04528	2.0
96.06867	4.1
97.06421	2.2
101.19453	1.8
106.06539	18.6
107.04958	3.4
107.07334	35.0
108.08141	13.2
109.01096	6.9
109.06518	4.2
109.07638	8.1
109.10145	2.2
110.07146	2.4
117.07049	2.0
118.06522	2.9
119.03537	4.2
119.04939	4.2
119.08579	3.8
120.08068	6.3
121.08893	19.6
122.03652	38.6
132.36313	1.8
135.04443	2.1
136.02161	46.2
136.03850	2.9
136.05234	2.5
136.06192	22.7
136.07562	6.8
136.08534	2.5
136.11211	87.0
137.02440	4.5
137.04803	3.3
137.05969	40.0
137.08211	2.2
137.11586	3.0
152.22850	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
54.03458	0.6
55.05507	2.1
56.96566	1.4
59.17067	0.6
65.03941	7.9
66.04739	1.1
67.02995	0.9
67.05508	7.1
68.05019	1.1
68.99797	1.8
69.03429	1.2
71.03067	1.5
71.52749	0.6
75.26527	0.7
78.91590	0.6
79.05493	5.1
80.05027	3.6
80.06259	0.6
81.03414	1.7
81.04512	0.9
81.07063	5.3
82.06570	3.7
91.05477	84.3
92.02491	1.6
93.05779	1.3
93.07043	2.0
93.77795	0.6
94.04122	11.4
94.06570	19.0
95.04949	1.8
95.06094	1.2
95.08620	1.2
96.06873	0.9
97.00221	0.7
97.06409	0.7
106.06532	4.9
107.04966	2.9
107.07341	10.8
108.04471	0.8
108.08124	5.2
109.01081	2.1
109.02953	0.6
109.05110	0.7
109.06542	3.6
109.07637	1.4
112.05138	0.9
119.03564	16.0
119.04926	20.5
120.08099	2.4
121.08894	4.9
122.03615	4.6
122.07256	0.7
136.02171	12.5
136.06178	100.0
136.07474	4.7
136.11209	19.3
137.02428	0.9
137.03532	1.1
137.04582	16.1
137.05966	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	136.0757
Annotation	2-Phenylacetamide
Peak:m/z	Relative Intensity
53.03946	0.8
62.76173	0.6
65.03928	2.2
66.93332	0.6
67.05488	1.0
68.05032	0.7
70.75568	1.9
79.05495	1.2
80.05035	1.1
81.03425	0.9
81.04516	0.8
81.07054	1.6
91.05478	100.0
92.05811	3.0
93.05790	1.0
94.04169	2.0
94.06565	1.9
95.04988	0.9
95.06072	0.7
96.06869	0.7
107.04953	3.6
108.05286	0.8
108.08122	1.2
109.01136	1.1
109.06514	3.6
109.07648	1.2
118.06522	4.0
119.03596	1.1
119.04942	20.0
122.03627	1.8
136.02167	9.3
136.06204	8.1
136.07582	16.1
136.11232	0.9
137.02388	0.8
137.04588	1.4
137.05937	1.8
137.08015	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0619
Annotation	Adenine
Peak:m/z	Relative Intensity
53.03941	1.1
55.01857	0.4
55.05508	1.8
56.05017	0.4
56.96572	0.6
58.68897	0.4
65.03952	1.9
65.04225	0.4
66.38899	0.3
67.02991	0.8
67.04263	0.5
67.05164	0.5
67.05504	5.5
68.05024	1.4
79.00660	0.3
79.05497	1.8
80.05022	2.5
81.03406	1.1
81.04549	0.7
81.05818	0.4
81.07053	1.5
82.06567	3.2
88.12262	0.3
89.31152	0.4
90.43178	0.4
91.05482	8.9
92.02503	0.7
93.05760	0.8
93.07043	1.1
94.04073	7.0
94.06569	15.2
95.04956	1.1
95.06073	1.2
95.08585	1.2
95.71848	0.4
96.04495	0.5
96.06858	1.1
97.06416	0.6
105.54854	0.3
106.06569	3.4
107.04971	0.7
107.07339	4.6
108.04457	0.5
108.08163	2.1
109.01104	1.5
109.05156	1.1
109.06504	1.7
109.07640	1.3
112.05103	0.6
119.03552	12.9
119.04929	1.4
119.05982	0.3
119.08613	0.5
120.08128	1.0
121.08881	3.0
122.03684	2.3
122.16241	0.4
131.01904	0.6
131.99821	0.4
136.02171	10.2
136.06186	100.0
136.11217	13.4
137.02434	0.7
137.03508	0.7
137.04581	10.3
137.05963	3.4
137.06775	0.6
137.08156	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03947	9.5
53.34237	1.1
54.03461	1.3
55.01860	2.2
55.05305	0.9
55.05506	9.9
55.18917	0.9
65.03940	7.3
66.71981	1.0
67.02985	2.4
67.05506	5.7
68.05019	5.0
69.03413	1.4
69.07058	3.7
69.77448	7.2
77.03916	1.4
79.05487	40.0
80.05020	2.6
80.05818	2.0
81.03411	2.5
81.04538	1.1
81.07051	6.5
82.06594	1.0
89.03909	3.5
91.05476	68.8
92.05766	1.9
93.05795	2.0
93.07037	61.6
94.02927	1.8
94.04095	1.4
94.07352	1.6
95.04964	20.7
95.06075	4.2
95.08591	1.3
96.06849	5.5
103.05482	5.1
105.04502	3.1
105.07024	30.6
106.07304	1.6
107.04942	18.2
107.06087	1.6
107.08587	96.1
108.04470	2.6
108.05612	1.7
108.08905	3.3
109.01100	11.9
109.06503	12.6
109.07606	5.6
115.05434	3.3
117.06993	3.1
117.98309	1.2
118.06504	2.5
119.03527	3.7
119.06071	5.0
119.08569	13.5
120.05591	1.0
120.09377	5.0
133.10072	1.8
135.04437	11.1
135.05470	1.9
135.06601	3.8
135.08066	15.5
135.11691	21.0
136.02155	100.0
136.03893	6.3
136.04996	2.9
136.06166	22.4
136.07553	4.9
136.08531	7.3
136.11078	1.3
136.12033	1.3
137.04594	2.4
137.09579	1.2
149.99191	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02377	1.7
53.03949	13.3
53.09166	1.2
54.03440	1.4
55.01867	3.9
55.05511	11.4
65.03944	7.1
67.02973	1.6
67.05509	7.7
68.05031	6.8
69.03425	3.1
69.07072	4.7
70.22926	5.1
73.55035	1.2
75.02425	1.3
77.03922	1.8
79.05492	55.6
80.05013	4.3
81.04559	1.4
81.06639	1.4
81.07061	6.1
82.06566	2.0
87.05613	2.2
89.03909	12.5
91.05483	85.5
92.06274	1.8
93.05843	2.9
93.07041	66.8
94.04081	2.1
94.06577	1.3
94.07365	3.2
95.04977	25.4
95.06054	6.3
96.06863	7.0
100.31970	1.1
103.05392	1.4
105.04516	4.5
105.07033	30.8
107.04952	24.5
107.08594	100.0
108.04455	2.2
108.08148	2.7
108.08928	3.8
109.01121	7.5
109.06535	13.7
109.07642	7.8
110.06807	1.3
115.05462	5.1
117.03387	3.2
117.06999	7.6
118.06548	2.5
119.03574	2.0
119.06095	6.8
119.08571	13.9
120.09366	4.8
120.50653	1.3
130.24950	1.2
135.04434	26.5
135.05452	1.5
135.06618	1.9
135.07045	2.0
135.08063	20.1
135.11690	22.2
136.02167	82.4
136.05135	2.6
136.06197	20.0
136.07574	17.3
136.08682	10.2
136.11188	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03948	9.7
55.01867	2.4
55.05502	11.8
55.82165	2.0
65.03935	7.7
67.02968	1.9
67.05506	5.9
68.05022	6.3
69.07070	4.6
70.70370	4.9
70.70739	2.1
76.77541	1.5
77.03922	2.3
79.05494	46.5
81.07047	5.6
89.03901	2.2
91.05481	84.5
93.05788	2.2
93.07040	54.4
94.06519	2.0
94.07389	1.8
95.04960	25.7
95.06083	2.7
96.06886	5.9
103.05480	4.8
105.04522	2.8
105.07026	34.3
107.04942	19.5
107.06089	2.4
107.08594	100.0
108.05473	1.8
108.08202	2.4
109.01110	9.5
109.06494	13.9
109.07647	5.4
115.05467	3.6
117.07016	7.2
119.03614	2.0
119.06046	4.6
119.08578	31.4
120.09380	9.9
135.04427	15.8
135.05482	4.0
135.06628	4.0
135.08038	19.4
135.11699	33.9
136.02161	91.6
136.03880	3.4
136.05110	3.3
136.06166	21.0
136.07558	6.2
136.08638	5.9
137.04593	2.2
140.22304	1.5
143.51942	1.8
146.77002	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02389	0.7
53.03945	6.0
55.05510	9.2
57.73705	0.6
65.03943	3.2
66.52723	0.6
67.02991	0.7
67.05500	4.8
68.05026	2.1
68.21574	0.6
69.07063	3.3
71.10403	1.4
77.03934	0.7
79.05490	27.2
80.05006	1.3
81.03429	0.9
81.07056	5.3
89.03915	2.4
91.05479	48.2
92.05784	1.4
93.07041	61.6
94.07375	2.6
94.07883	0.8
95.04969	12.7
95.06078	1.3
96.06868	2.9
103.05469	0.7
105.04516	2.7
105.06314	0.9
105.07027	17.7
107.04959	5.8
107.08591	100.0
108.04525	0.6
108.05550	0.6
108.08934	4.6
109.01077	1.8
109.06520	9.9
109.07632	2.4
115.05475	0.8
117.06998	1.0
118.06533	0.7
119.03566	0.7
119.06077	3.5
119.08591	6.1
119.53132	0.5
120.09360	2.4
129.90526	0.5
133.10098	1.1
135.04437	4.4
135.05417	1.0
135.06616	0.6
135.08028	3.5
135.11682	13.3
136.02158	26.3
136.03838	1.1
136.05083	1.4
136.06171	5.4
136.07576	3.4
136.08688	2.8
136.12048	0.6
137.04617	1.0
145.98955	0.6
148.36964	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.52099	1.2
51.85252	1.2
53.03947	4.1
55.05515	11.9
57.07066	2.2
59.06377	1.4
60.33866	1.6
65.03945	4.1
67.05495	2.3
69.07066	3.7
70.62377	5.2
79.05489	17.7
81.07040	3.0
91.05479	66.3
93.07042	49.9
95.04967	11.0
103.05470	1.8
105.04500	2.0
105.07025	29.6
106.07842	2.2
107.04966	2.2
107.08588	100.0
108.08916	2.4
109.06519	10.0
115.05534	1.8
117.07022	4.6
119.06090	3.2
119.08577	18.1
120.09362	6.9
133.10165	3.0
135.08070	5.7
135.11693	32.0
136.02168	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02367	1.2
53.03939	10.1
55.01865	2.7
55.05503	13.9
56.96565	1.4
65.03931	3.4
67.05502	46.4
68.05020	1.6
68.05826	1.3
69.03424	2.1
69.07063	10.0
74.12602	0.9
77.03893	1.0
79.05492	82.1
80.05031	2.0
80.05822	3.0
81.07054	38.5
89.03908	3.1
91.05480	44.5
92.05755	2.0
93.07039	100.0
94.07368	2.7
94.33327	1.0
95.04965	19.3
99.96619	1.0
103.05351	1.0
105.04514	4.3
105.07030	9.4
107.04959	9.4
107.08591	56.2
108.04459	1.7
108.08163	1.3
108.08922	1.8
109.01099	10.2
109.06534	5.8
115.05453	2.1
117.07008	1.9
118.06533	2.0
119.03584	2.0
119.06054	1.3
119.08576	3.5
133.10086	1.4
135.04422	9.2
135.05479	2.0
135.08052	9.6
135.11690	43.0
136.02159	92.4
136.03877	3.2
136.05106	2.2
136.06183	16.9
136.07556	4.4
136.08592	2.1
136.11153	1.5
136.12074	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	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02370	1.1
51.64368	0.7
51.91729	0.7
53.03940	5.6
55.01854	0.7
55.05508	10.1
57.07074	1.7
58.91647	0.7
61.30260	0.7
65.03930	3.5
67.05490	2.7
69.07072	3.9
69.51388	4.3
69.51791	1.6
77.03934	1.0
79.05491	23.8
80.05810	1.1
81.07061	4.1
89.03919	2.0
91.05479	61.0
92.05782	1.5
92.06287	1.1
93.07042	52.1
94.07334	1.0
95.04967	12.0
95.06123	0.7
95.08604	1.0
103.05463	2.6
104.06224	1.6
105.04517	2.0
105.07025	26.9
107.04936	2.7
107.08590	100.0
108.08936	2.6
109.01109	1.5
109.06514	13.8
115.05452	1.9
117.07053	4.4
117.07755	0.6
119.06091	3.9
119.08578	19.7
120.09365	6.7
133.10121	2.5
135.04411	2.8
135.08066	7.8
135.11682	30.5
135.12718	1.5
136.02171	9.1
136.06105	1.9
136.07573	1.3
136.08546	0.8
136.12038	1.6
137.09642	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03941	9.2
54.03453	1.2
55.01863	3.4
55.05507	9.7
64.51489	0.9
65.03940	7.3
67.02979	1.1
67.05497	7.8
68.05023	5.2
69.03407	1.1
69.07050	2.5
71.42114	2.2
77.03918	1.4
78.04708	1.9
79.05492	40.3
80.05005	2.7
80.05859	1.0
81.04546	1.6
81.07046	3.9
81.12875	1.1
82.06564	1.8
87.05586	1.3
89.03909	5.5
91.05476	91.8
92.05785	2.7
92.06293	1.2
93.05786	2.7
93.07038	56.3
94.06589	1.0
94.07344	1.9
95.04969	17.8
95.06093	2.9
95.08594	2.4
96.06860	7.1
97.43754	1.1
103.05458	3.2
104.06243	1.7
105.04501	2.8
105.07026	41.4
106.07304	1.6
107.04946	16.8
107.08588	100.0
108.08170	1.2
108.08940	3.4
109.01065	4.9
109.06506	15.6
109.07621	7.4
115.05434	6.0
117.07031	6.5
118.06573	1.7
119.03549	1.9
119.06093	5.3
119.08569	21.4
120.09374	6.6
133.10085	1.5
135.04398	9.3
135.05548	2.7
135.06619	2.9
135.08058	20.3
135.11681	19.2
136.02159	55.2
136.03908	4.1
136.05063	1.8
136.06166	11.6
136.07549	4.9
136.08684	5.5
148.79410	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03733	1.5
53.03944	14.1
55.01863	3.8
55.05306	1.3
55.05514	14.4
65.03926	2.6
67.05505	24.6
69.03404	2.1
69.07068	10.9
70.75723	2.9
70.76120	2.4
77.03909	2.2
79.05492	86.3
80.04990	2.2
80.05839	1.6
81.07053	25.0
88.25290	1.3
89.03888	3.4
91.05477	55.4
92.05821	2.1
93.07040	100.0
93.88186	1.3
94.04047	1.8
94.07381	3.4
95.04970	28.2
96.37875	1.2
105.04514	4.6
105.07025	9.8
107.04964	14.7
107.08593	56.6
108.04470	2.9
108.08887	1.6
109.01093	9.7
109.06509	4.3
115.05540	1.5
117.06988	1.8
118.06551	2.8
118.30521	1.2
119.03524	2.5
119.08562	2.0
133.10112	1.4
135.04411	8.9
135.05519	3.7
135.06564	1.8
135.08028	6.6
135.11687	34.6
136.02161	89.8
136.05142	3.3
136.06177	21.9
136.07538	8.2
136.12027	2.1
137.04550	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	135.0804
Annotation	Isochavicol
Peak:m/z	Relative Intensity
51.02378	0.6
53.03934	1.9
54.03468	0.5
55.01863	1.5
55.05519	1.0
65.03945	3.8
67.05508	2.8
68.05010	1.7
69.03434	0.9
69.07060	0.6
71.10921	1.1
71.22189	0.4
79.05492	21.7
80.04998	0.8
80.05798	0.6
81.03404	0.7
81.07021	0.8
84.88219	0.5
89.03939	0.9
91.05478	40.3
92.05760	0.7
92.06264	1.9
93.05775	0.6
93.07038	6.7
95.04973	4.4
95.06085	0.9
96.06850	1.3
105.04520	1.0
105.07027	10.3
107.04954	5.2
107.08589	14.4
107.74007	0.4
108.08179	0.5
108.08913	0.6
109.01113	1.0
109.06516	5.6
109.07642	1.4
115.05455	11.4
116.06279	0.6
117.07016	2.8
119.06058	1.3
119.08588	1.7
120.05712	1.4
124.29485	0.5
135.04459	6.2
135.08051	100.0
135.11639	2.4
136.02167	11.2
136.03836	0.7
136.05077	0.5
136.06146	2.7
136.07518	1.1
136.08429	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	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.2
53.03946	7.5
55.01861	3.1
55.05513	13.7
57.64413	1.1
65.03927	3.2
67.05506	44.6
69.03425	1.2
69.07069	10.7
77.03912	1.1
79.05494	83.7
80.04998	2.8
80.05787	1.1
81.07055	31.6
82.07368	1.4
89.03917	2.2
91.05481	45.6
92.02606	1.4
92.05803	2.2
93.07043	100.0
94.07359	4.0
94.07879	1.8
95.04968	19.1
105.04515	3.0
105.07017	9.9
107.04960	10.8
107.08591	56.5
108.04444	1.7
108.08124	1.5
108.08934	1.6
109.01094	8.5
109.06542	5.1
115.05460	2.3
116.69384	1.2
117.07009	2.9
118.06512	1.2
119.03488	2.4
119.08609	5.2
120.05676	1.1
120.09355	0.9
131.01994	1.2
133.10155	1.7
135.04436	8.4
135.05486	2.4
135.06583	1.6
135.07014	1.1
135.08063	10.5
135.09024	1.4
135.11697	41.8
136.02162	81.3
136.03918	3.2
136.05115	2.1
136.06157	16.5
136.07588	5.8
137.04576	2.4
146.52795	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03938	3.2
55.01863	0.6
55.05500	1.8
59.01188	0.6
65.03916	0.5
67.05494	1.0
69.46235	5.0
73.67743	0.6
74.21619	0.5
77.03915	1.0
79.05488	10.6
91.05476	28.5
92.05785	1.2
92.06295	0.5
93.07037	7.9
93.97085	0.5
95.04977	3.5
103.05461	4.1
105.07025	64.9
106.07330	2.6
107.08585	1.4
113.19438	0.5
115.05459	8.8
116.06273	1.0
117.07024	8.7
118.07813	7.4
129.06982	0.9
131.08551	7.8
133.02829	0.6
133.06516	3.9
133.10123	100.0
134.06018	0.7
134.06992	0.7
134.10457	4.5
141.63966	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.02175	0.8
53.03934	2.0
55.05507	3.6
55.13894	0.7
63.32335	0.7
65.03935	1.4
67.05492	1.2
69.67548	5.3
74.03053	0.7
79.05499	11.8
91.05479	31.0
93.07043	6.8
95.04967	3.3
103.05444	5.8
105.07028	67.7
106.07366	2.2
107.08609	2.2
115.05434	10.3
116.06226	2.4
116.19112	0.7
117.07005	14.5
118.07803	13.7
129.07018	1.0
131.08565	12.2
133.10127	100.0
134.10461	4.4
137.34563	0.8
142.78033	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
52.25641	0.8
53.02382	0.8
53.03944	2.0
53.32092	0.7
55.05492	2.3
57.37146	0.8
58.39472	0.8
60.07682	1.0
65.03928	1.7
67.05495	1.8
69.54345	6.4
79.05491	10.9
91.05481	28.8
92.05812	1.4
93.07037	8.1
93.39188	0.9
95.04985	4.5
98.20786	1.8
98.96056	0.8
100.75860	0.8
103.05458	6.4
105.07030	68.9
106.07352	2.9
107.08598	2.0
115.05460	9.4
116.06228	3.1
117.07003	13.2
118.07823	10.8
131.08575	10.1
133.10127	100.0
134.10458	4.6
141.91824	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03941	3.8
54.43077	0.5
55.01868	1.2
55.05507	3.9
57.99138	0.6
65.03929	1.2
67.05477	1.3
71.04983	0.7
71.11974	1.5
77.03941	1.1
79.05060	1.1
79.05495	16.4
90.04712	0.9
91.05484	38.2
92.05807	1.1
93.07043	7.5
95.04966	5.2
103.05466	9.2
105.00634	0.6
105.03401	1.6
105.07030	100.0
106.06604	1.0
106.07363	3.2
107.08623	1.6
115.05449	11.7
116.06226	2.2
117.07026	13.9
118.04140	3.8
118.07812	11.8
131.08568	11.6
133.02873	1.3
133.06514	11.6
133.10130	96.3
134.05994	2.1
134.06989	1.3
134.09627	1.0
134.10477	4.1
142.30518	0.5
148.32541	0.6
153.53397	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03938	2.8
55.01870	1.3
55.05510	2.9
65.03938	1.3
67.05489	1.2
70.03631	1.4
70.04047	1.9
70.95741	0.6
74.02430	0.6
75.06059	0.6
77.03917	1.2
79.05066	0.9
79.05497	13.7
83.69650	0.5
88.61076	0.6
91.05479	37.8
92.05792	0.7
93.07035	7.9
93.20036	0.6
95.04971	5.4
103.05460	9.1
103.06070	1.0
104.04993	0.5
105.07029	100.0
106.07338	4.3
107.08598	2.0
115.05454	11.6
116.06229	2.5
117.07016	13.3
117.28800	0.6
118.07802	13.8
119.08173	0.9
129.07039	1.0
131.08566	11.4
133.02869	1.0
133.06509	7.5
133.10129	99.7
134.06036	1.6
134.07068	1.3
134.10469	5.2
149.86296	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02386	0.6
53.03947	3.1
55.01866	1.7
55.05509	3.5
58.36465	0.5
60.24692	0.6
65.03927	1.1
67.05491	1.3
69.74430	0.4
70.76049	0.6
70.76401	1.4
71.05000	0.5
77.03931	1.0
78.04729	0.5
78.52287	0.5
79.05492	14.4
79.05959	0.7
79.06464	0.6
80.05812	0.7
91.05479	33.3
92.05776	1.0
93.07048	6.1
95.04974	5.9
103.05463	9.6
105.07029	100.0
106.06714	0.9
106.07351	4.2
107.04979	0.6
107.08591	1.7
115.05455	10.2
116.06217	1.5
117.07018	10.4
118.04143	0.7
118.07813	10.5
124.02194	0.5
129.06999	1.0
131.08563	9.7
133.02846	1.2
133.06502	10.7
133.10127	81.4
134.06018	1.5
134.06903	1.0
134.10475	4.5
134.96565	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52674	0.4
53.03944	3.1
55.01868	3.4
55.05499	0.8
58.05335	1.0
67.05512	0.5
71.04999	0.5
71.49912	0.7
74.02444	4.6
77.03955	0.4
79.05489	19.4
80.05827	0.5
85.04028	0.5
85.35232	0.4
87.05590	1.3
88.04002	0.5
91.05480	4.8
93.07050	0.6
94.04178	0.7
95.04964	5.0
103.05463	14.4
105.03405	1.1
105.04539	1.0
105.07025	100.0
105.35108	0.4
106.06557	1.3
106.07372	2.6
107.04967	1.5
112.02181	0.7
113.02920	0.6
115.05455	6.2
117.06993	0.7
118.07820	0.4
123.07938	1.1
131.04878	1.9
131.08571	1.1
133.06487	65.5
133.10118	5.1
134.05978	1.5
134.06906	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.1
53.03946	3.7
53.11133	0.6
55.01870	1.1
55.05508	3.9
60.30224	0.6
60.64817	0.6
63.63343	0.6
63.74823	0.6
65.03936	1.8
67.05499	1.2
70.04688	1.1
70.05099	2.2
74.02431	0.7
75.04894	0.5
77.03936	1.5
79.05491	14.0
91.05477	35.8
92.05787	1.2
93.07045	7.4
94.07389	0.7
95.04968	4.6
103.05466	7.9
105.03410	1.4
105.07028	100.0
106.07336	4.2
107.08561	2.0
115.05455	11.4
116.06289	1.3
117.07014	13.8
118.07816	11.0
129.07025	1.2
131.08565	16.0
132.08899	0.6
133.02856	0.9
133.06511	7.8
133.10127	68.9
134.06015	1.8
134.07005	1.1
134.10445	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	133.0648
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02377	0.6
51.45835	0.4
53.03949	3.4
55.01869	3.3
55.05515	1.9
56.96560	0.5
58.05327	0.9
59.05001	4.8
61.01147	0.6
63.59126	0.3
65.03935	0.7
70.02950	0.4
70.06539	0.4
70.26663	1.2
70.27076	0.8
71.04987	1.2
73.06552	1.3
74.02435	6.2
75.05603	1.2
77.03916	1.3
79.05492	20.8
80.05814	0.7
81.03401	0.4
81.04537	1.0
85.04031	0.6
87.02691	0.7
87.05585	2.1
87.10060	0.4
88.03996	1.0
91.05476	7.3
92.90042	0.4
93.07045	1.1
94.04176	0.5
95.04968	5.5
98.21420	0.4
103.04788	0.8
103.05469	13.3
104.05062	0.5
104.05775	0.6
105.03377	1.6
105.04536	1.0
105.07028	100.0
106.06564	1.7
106.07361	3.1
107.04947	1.5
108.57539	0.3
112.02205	0.8
113.02979	0.7
115.05463	6.2
115.07563	0.8
116.03452	0.4
117.07008	1.2
118.04144	0.5
118.07764	0.6
123.07967	1.5
131.04948	1.9
131.08585	1.2
132.05730	0.4
133.02856	1.3
133.06494	60.2
133.10133	7.0
134.06033	1.7
134.06848	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	133.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.8
51.34918	0.5
53.03945	3.1
55.01873	3.5
55.05510	0.7
58.05348	0.7
59.14253	0.6
59.43865	0.5
71.03208	1.4
74.02437	4.5
79.05492	15.6
80.05832	0.7
87.05584	1.6
91.05476	13.3
93.07040	2.1
95.04980	6.1
97.85462	0.5
99.90763	0.5
100.29807	0.6
103.05465	11.5
105.07026	100.0
106.06696	0.6
106.07349	3.3
107.04926	1.1
107.08589	0.7
112.02146	0.9
115.05460	7.0
116.06245	0.7
117.07014	4.0
117.10033	0.5
118.07801	3.0
123.07951	1.2
131.04933	1.4
131.08566	3.7
133.06490	48.4
133.10123	26.9
134.05994	1.1
134.06915	2.0
134.10448	1.1
145.02075	0.7
145.77751	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02370	2.5
53.03707	1.4
53.03946	20.9
55.01870	6.0
55.05506	2.6
55.09626	0.8
56.05034	2.3
56.96563	14.8
57.03437	1.9
57.04560	1.1
58.02953	2.0
58.05333	3.4
58.06590	1.4
59.04994	1.7
59.06105	2.1
60.04524	0.7
60.29829	0.6
60.95849	1.3
61.02929	0.8
62.06054	1.0
64.57959	0.9
65.03947	11.2
67.05493	1.1
68.05016	0.7
69.03422	2.0
69.07070	1.2
70.06587	1.3
70.97549	1.7
70.97890	0.9
71.04995	12.6
71.06120	1.4
72.08155	0.8
72.93778	2.2
73.02915	1.4
73.04003	0.9
74.02431	1.4
74.06072	5.6
74.40215	0.7
74.51198	0.7
75.05602	9.1
76.03996	1.3
77.03938	4.7
78.04689	1.0
79.05495	31.1
80.05008	1.4
81.03399	0.9
85.02895	1.1
85.04019	1.8
86.06068	1.6
87.05584	2.1
87.10059	1.1
88.07623	2.9
89.03918	1.0
90.94791	1.6
91.04987	0.9
91.05492	10.9
92.05010	11.7
92.07133	1.7
92.38374	0.9
93.04530	1.0
93.05837	1.5
93.07033	1.5
95.04972	10.0
98.06030	1.1
100.02493	0.9
103.05470	18.1
105.03410	6.5
105.04541	1.9
105.07032	100.0
106.06556	15.6
106.07356	4.1
107.04960	3.9
107.06091	0.9
110.06046	8.2
115.05511	7.6
115.08696	1.2
116.04959	0.9
116.07098	1.9
117.04521	0.7
117.06996	1.6
118.05327	1.0
118.06547	0.7
119.07339	1.0
119.53407	1.6
126.52299	1.0
131.04929	1.2
131.08588	1.5
132.06808	1.5
133.02802	4.4
133.06496	55.9
133.07600	11.5
133.10153	11.3
134.06021	19.0
134.07011	3.1
134.09659	2.5
150.96881	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0648
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02370	0.6
51.37640	0.4
53.03944	2.2
55.01878	3.8
56.37317	0.6
66.29386	0.4
70.00079	2.6
74.02450	0.7
77.03941	0.5
79.05494	21.0
80.05833	0.6
91.05484	1.9
94.04197	0.7
95.04972	5.8
103.05465	13.6
104.05768	0.6
105.07030	100.0
106.07364	4.2
107.04961	1.8
115.05447	7.6
124.36510	0.5
131.04935	1.8
133.06493	68.6
133.10109	1.1
134.06819	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02373	0.9
51.06326	0.6
51.48353	0.6
53.03944	5.2
55.01873	3.5
55.05496	2.0
57.03432	1.2
58.05341	1.6
65.03941	1.3
66.04719	1.6
67.05500	0.8
68.05021	0.8
69.64412	5.6
70.69394	0.6
71.04971	1.0
74.02448	1.3
74.06081	0.7
77.03934	2.5
79.05492	22.2
85.02890	1.4
85.04060	1.1
90.04678	2.0
91.05479	19.2
91.06010	1.3
93.07021	2.8
95.04971	7.7
99.45937	0.8
103.05471	14.8
105.03406	2.2
105.07028	100.0
106.06615	0.8
106.07359	3.0
107.08610	1.0
109.98387	0.7
115.05462	8.8
117.07021	5.2
118.04166	6.4
118.07836	4.7
131.04997	0.7
131.08592	5.2
133.02867	1.6
133.06496	48.0
133.10130	28.5
134.03639	2.2
134.05974	2.3
134.07031	2.9
134.10472	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.9
53.03946	2.4
55.01873	3.1
55.05499	1.0
56.96566	0.4
58.05335	0.4
61.01162	0.4
65.03931	0.4
67.05479	0.6
70.64197	0.8
70.64568	0.8
74.02437	2.6
75.52526	0.3
77.03922	1.0
77.30270	0.3
79.05490	19.2
81.03394	0.3
84.46880	0.4
87.05560	0.6
90.94798	0.4
91.05476	8.2
93.07014	1.6
94.04184	0.5
95.04963	4.5
103.05460	11.6
103.36685	0.3
104.05727	0.5
104.36463	0.3
105.03437	0.8
105.07024	100.0
106.06649	0.6
106.07352	3.2
107.04945	1.4
107.06094	0.4
112.02187	0.8
115.05448	6.9
116.06232	0.4
117.06992	1.4
118.04198	0.4
118.07771	1.2
123.07909	0.8
131.04921	2.7
131.08580	2.5
132.05640	0.6
133.06485	57.1
133.10115	10.6
134.06026	0.3
134.06873	2.3
134.10571	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.7
53.03944	3.5
55.01873	3.9
55.05491	1.1
56.96550	0.7
58.05335	1.3
59.05001	0.8
60.84684	0.4
61.01134	0.6
67.05504	0.5
68.05943	0.4
70.64344	1.7
71.04987	0.7
73.06570	0.5
74.02435	10.1
75.05593	1.2
77.03920	1.2
79.05490	19.3
81.04528	0.7
87.05576	2.1
88.03976	1.8
91.05477	8.0
93.07043	0.7
94.29398	0.5
95.04970	6.1
103.05471	14.6
105.03382	1.0
105.07027	100.0
106.06611	0.9
106.07364	3.4
107.04957	1.3
112.02185	1.1
113.02953	0.7
115.05460	6.0
117.07010	1.5
118.07789	1.0
123.07941	2.2
131.04921	1.7
131.08575	1.3
132.05676	0.6
133.02881	1.1
133.06493	59.0
133.10126	7.4
134.05960	0.9
134.06888	2.5
143.06012	0.5
144.04803	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0608
Annotation	[(ammonioacetyl)amino]acetate
Peak:m/z	Relative Intensity
50.61966	0.7
53.03959	3.5
56.05030	1.2
56.93275	0.7
57.03429	1.4
58.04069	0.8
58.06586	0.9
58.99586	4.2
60.04527	1.7
61.01152	22.3
69.98434	2.4
69.98842	1.7
70.02953	6.9
70.06587	4.6
71.04993	1.6
72.04536	0.7
72.37189	0.6
74.02441	100.0
74.06076	2.4
74.99075	1.8
75.02733	2.0
75.05595	0.9
77.00616	1.3
77.31348	0.6
84.08131	1.1
85.01144	2.8
85.02914	2.5
85.07964	0.9
85.08468	5.4
86.09721	1.0
87.02690	24.1
87.05591	27.1
87.10013	1.4
88.03988	10.6
88.07616	2.4
91.05470	1.5
95.05018	0.9
98.20823	1.1
99.00865	0.9
100.02508	0.7
105.00067	1.5
105.07046	3.2
116.03460	7.9
116.07039	1.0
133.03238	4.1
133.06172	1.3
133.10231	0.7
134.09570	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.102
Annotation	DL-tert-Leucine
Peak:m/z	Relative Intensity
50.73205	1.3
50.97221	1.3
52.82388	1.2
53.03942	3.8
53.34285	1.4
56.96554	4.6
57.03436	2.2
65.03915	1.5
66.57071	1.1
69.07048	1.9
69.68475	3.2
69.68884	5.6
71.04967	1.6
79.05467	2.5
86.09704	100.0
87.10030	2.2
91.03562	1.2
91.05447	1.4
95.04980	2.5
98.60430	1.2
103.05453	2.6
104.05030	1.6
105.07021	13.5
110.06069	1.4
117.05801	1.5
124.36524	1.2
132.04459	1.4
132.08098	2.5
133.06525	11.3
140.91812	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	2.5
51.02378	12.3
53.03706	2.3
53.03944	28.2
55.01853	5.2
55.05500	2.1
56.05033	3.8
56.96558	3.5
57.03403	2.1
57.04551	5.3
58.02953	5.5
58.05327	6.8
58.06580	2.7
59.06106	3.7
59.99115	8.8
60.04523	3.0
61.01144	6.3
63.00483	1.5
65.03931	2.7
67.05470	2.6
69.03431	3.2
70.02960	2.9
70.06575	5.0
70.77494	3.7
70.77862	3.4
70.95852	2.2
71.04996	13.7
72.04514	3.2
72.93773	5.9
73.04052	2.7
74.02040	3.0
74.02441	56.7
74.06075	4.4
75.05599	24.8
76.03999	2.8
77.03931	40.3
78.00176	2.4
79.01863	2.5
79.05489	23.9
81.04540	4.6
82.05343	1.8
85.01139	2.0
85.04012	7.1
86.09657	1.5
87.02687	6.3
87.05589	21.4
87.10035	6.7
88.02209	10.5
88.03999	7.9
88.07594	2.8
90.94808	2.1
91.04992	1.8
91.05486	23.0
92.90074	3.5
93.04481	1.8
93.05688	1.5
95.04372	2.1
95.04964	29.6
103.05475	10.7
105.03394	37.2
105.04495	6.7
105.07035	100.0
106.03220	2.9
106.06538	5.5
106.07339	2.3
107.06038	2.3
112.02165	7.7
113.02911	2.9
115.05436	7.4
116.03447	4.2
116.05264	2.1
116.07082	2.6
117.06983	3.1
118.07758	1.8
123.07926	10.3
131.08534	4.3
133.02850	53.6
133.06442	35.2
133.07607	7.0
133.10144	23.9
134.03206	2.1
134.06152	17.2
134.07141	3.9
134.09634	2.8
144.04779	3.1
150.96892	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	132.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.8
55.01862	6.2
55.43464	6.5
56.96565	64.4
57.03434	11.4
58.06614	8.4
60.50030	5.8
60.95855	5.9
68.29000	5.4
69.07043	7.9
69.66772	34.4
70.07035	5.3
70.69096	5.3
71.95293	6.8
72.04511	8.0
72.93787	7.1
75.05621	8.7
79.05496	10.0
82.01450	5.6
89.00067	6.7
91.05511	12.0
95.04974	5.6
98.20842	10.0
98.21445	10.9
98.97572	36.9
99.02113	6.4
100.02494	29.3
101.00887	9.1
103.02445	6.6
105.07024	33.0
109.52282	6.3
116.98630	47.7
118.03519	24.2
119.01919	100.0
120.02042	11.7
121.01744	9.0
127.03512	14.0
128.01923	17.6
132.05092	26.4
132.08931	7.5
133.06508	11.3
133.10193	11.0
134.99669	47.5
137.02959	57.8
138.03125	8.8
139.02695	7.1
142.03477	37.8
145.04602	8.9
150.06136	38.8
153.00758	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	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.6
53.03944	4.8
55.05508	0.6
56.05027	0.9
56.96557	1.5
57.03428	1.3
59.06130	0.9
65.03935	1.2
68.05042	0.5
69.03421	1.2
69.28107	3.0
69.28532	1.9
70.03757	1.2
70.06599	0.8
71.05006	1.0
71.88976	0.5
72.04518	0.8
72.93817	0.6
77.03923	0.7
84.04501	1.0
85.04847	0.7
85.08467	1.3
86.06071	0.8
86.09709	0.6
90.90379	1.1
90.94822	0.4
91.05479	83.4
92.05821	2.5
94.13000	0.5
95.04964	9.6
96.05322	0.6
102.04683	1.6
103.05465	100.0
104.05092	0.9
104.05777	4.6
105.04508	2.2
105.07023	2.1
106.84777	0.6
113.07263	0.5
113.07929	2.4
115.05460	10.4
116.06239	31.2
117.05814	0.7
117.06577	1.4
128.06224	2.8
129.07010	12.1
130.07262	0.6
131.04930	10.0
131.06921	1.8
131.08566	56.6
132.06561	0.8
132.08072	0.9
132.08914	3.8
133.06499	1.0
143.06102	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0445
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
51.02373	1.1
51.98056	0.4
53.03947	8.7
53.98305	0.4
55.01867	1.9
56.05028	1.2
56.96564	0.6
57.03434	3.1
57.04547	1.0
58.02955	0.6
58.05342	0.8
58.06591	1.8
59.06121	0.6
60.04537	0.8
65.03946	0.4
67.05513	0.6
68.05005	0.6
69.03429	0.6
69.07108	0.5
70.06584	0.8
71.04987	1.2
71.16073	1.1
72.04485	1.0
72.08154	0.9
72.93797	2.1
73.02936	0.5
75.05612	2.1
75.44134	0.4
77.03931	3.4
79.05493	3.8
81.03415	1.2
84.04505	0.8
84.05640	0.5
85.04027	0.6
86.06051	1.1
86.09698	1.3
87.05583	0.8
88.67106	0.4
90.90385	3.2
90.94829	0.8
91.05474	4.3
92.05850	0.5
95.04966	18.2
96.04505	2.7
98.09670	0.9
103.05467	3.2
104.04991	98.2
105.03408	3.9
105.04522	3.7
105.05333	3.5
105.07027	22.3
114.05527	0.7
115.05473	1.3
117.05748	1.0
117.07030	0.7
131.04953	0.7
131.08534	0.6
132.04451	100.0
133.02872	2.1
133.04900	3.6
133.06490	11.6
133.07484	0.7
133.10130	3.7
150.96887	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.2
51.02377	0.6
53.03703	0.3
53.03944	4.0
55.01860	0.3
56.96537	0.3
57.03435	0.2
70.03761	0.2
70.62617	0.6
77.03918	1.0
81.03419	0.6
84.08129	0.9
85.04814	0.3
85.07937	0.2
85.08469	3.6
86.09703	0.5
87.34638	0.2
90.90413	0.2
91.05482	1.7
95.04963	9.1
96.05269	0.2
102.04681	1.1
103.05461	100.0
104.05796	4.1
105.04506	1.4
113.07921	0.7
116.06225	0.6
117.61183	0.2
129.07004	0.2
131.04919	8.2
131.06870	0.5
131.08498	0.9
132.05238	0.2
147.88594	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	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.5
53.03946	3.2
56.05060	0.2
56.96558	0.3
57.05376	0.2
69.99825	1.0
70.03757	0.3
72.08135	0.2
77.03915	0.8
81.03411	0.3
84.08130	0.8
85.04854	0.4
85.07897	0.2
85.08463	2.9
86.09691	0.4
91.05477	1.6
95.04963	9.0
102.04675	1.2
103.05463	100.0
104.05792	4.1
105.04509	1.5
113.07918	0.6
116.06252	0.3
131.04924	8.9
131.06879	0.6
131.08517	0.5
132.05267	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.3
53.03941	2.8
55.01855	0.2
70.03754	0.2
70.70545	0.8
77.03909	0.8
81.03403	0.3
84.08134	1.0
85.07919	0.3
85.08464	4.1
86.09701	1.5
95.04967	6.7
102.04699	0.9
103.05465	100.0
104.05797	3.5
105.04510	0.9
113.07938	0.8
117.05740	0.3
131.04941	1.0
132.08089	0.5
144.08112	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	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.2
51.02374	0.7
53.03948	3.7
56.05021	0.3
57.07063	0.3
58.07432	0.3
70.03805	0.2
71.02704	0.4
75.10050	0.3
77.03912	0.8
81.03407	0.5
84.08138	1.1
85.07925	0.3
85.08469	3.8
86.09699	0.8
90.90374	0.2
91.05472	1.4
94.13524	0.2
95.04964	8.7
96.05313	0.2
99.76860	0.2
101.57997	0.2
102.04673	1.3
103.05463	100.0
104.05076	0.3
104.05794	4.0
105.04501	1.6
113.07924	0.6
116.06203	0.5
117.40411	0.2
131.04930	7.4
131.06888	0.3
131.08620	0.7
131.16246	0.8
132.04414	0.7
132.05273	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.5
53.03944	3.6
55.01878	0.2
56.96535	0.2
57.03431	0.2
58.06606	0.2
61.12328	0.1
63.42351	0.1
69.03412	0.2
69.85954	0.9
70.03752	0.2
72.08157	0.1
76.05131	0.2
77.03919	1.0
81.03410	0.2
84.08154	0.7
85.04819	0.2
85.07918	0.2
85.08460	3.1
86.09702	0.6
90.90379	0.3
91.04901	0.2
91.05476	3.4
95.04964	8.8
96.05278	0.2
102.04678	1.1
103.05462	100.0
104.05797	4.2
105.04512	1.6
113.07949	0.6
115.05434	0.3
116.06254	1.0
117.05775	0.2
129.07043	0.3
131.04921	7.8
131.06880	0.7
131.08458	1.2
132.05273	0.4
132.08058	0.2
144.08029	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	130.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	1.3
53.03935	2.5
53.26666	0.6
53.42183	0.6
55.01863	1.3
55.02992	1.5
55.05511	3.8
56.04819	0.7
56.05036	7.2
56.96558	2.6
57.03426	2.3
57.07075	49.6
58.06583	1.6
58.07402	1.8
59.06118	3.0
67.05498	1.7
69.03428	59.3
69.07069	5.8
70.06596	3.7
70.07407	1.0
71.02461	0.8
71.04987	2.3
71.58192	0.9
72.04510	2.7
72.08157	11.9
72.93793	0.7
73.02969	0.7
74.09717	27.3
75.10070	0.7
81.03403	0.8
82.06575	4.0
82.26101	0.7
84.04504	23.9
84.08141	56.5
85.02899	1.9
85.04040	1.0
85.04836	1.3
85.07679	3.5
85.08474	2.8
91.05475	14.8
94.06570	1.7
95.04948	6.1
97.06409	0.8
98.04813	1.2
98.07214	0.8
101.07098	0.7
102.04653	1.4
103.05466	48.2
110.01424	0.7
112.05070	2.0
112.07602	100.0
113.07146	2.4
113.07944	5.0
113.10753	0.8
115.05445	2.3
116.06242	3.6
125.96144	0.9
129.06969	2.2
130.02213	1.0
130.04959	2.3
130.06526	83.2
130.08615	16.0
130.09732	1.9
130.15912	43.1
131.04947	6.5
131.05907	1.3
131.06909	5.1
131.08546	9.7
131.16270	2.5
135.93958	0.7
146.53989	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0651
Annotation	Isoquinoline
Peak:m/z	Relative Intensity
53.03944	2.2
55.05516	0.5
56.05037	2.9
57.03430	0.7
57.07069	1.3
69.03428	7.0
69.07064	1.1
70.06596	0.4
70.83778	0.8
70.84119	0.5
71.04984	0.5
72.04552	0.4
72.08158	0.4
74.06076	2.3
77.03938	0.4
80.70787	0.3
84.04507	6.2
84.08139	70.6
85.08472	1.4
91.05473	0.5
95.04961	4.4
102.04668	0.6
102.22043	0.3
103.05463	18.2
105.04524	0.8
112.07600	13.8
113.07130	0.5
113.07916	0.5
120.99079	0.3
128.04953	2.4
130.06522	100.0
130.12248	0.8
130.15900	0.4
131.04945	0.7
131.06880	4.2
131.08562	0.5
138.05762	0.3
146.05969	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0863
Annotation	L-Pipecolic acid
Peak:m/z	Relative Intensity
50.45795	0.3
55.05519	0.4
56.05034	4.6
65.53658	0.3
67.05507	0.5
70.06614	0.4
71.11920	0.4
71.12265	0.8
74.08981	0.4
84.04496	1.3
84.08141	100.0
85.08481	2.5
86.08891	0.3
112.07598	0.7
113.46501	0.4
130.08641	8.0
131.09013	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63700	0.6
52.08869	0.7
53.03946	2.1
56.05033	4.9
57.07074	48.4
58.07411	1.4
65.40764	0.6
69.03430	11.0
69.99443	3.0
70.06615	0.7
70.48527	0.6
72.08154	2.7
74.09717	22.9
75.10030	0.9
77.52916	0.7
82.06567	0.9
84.04504	8.0
84.08141	100.0
85.07681	1.1
85.08465	3.5
91.05501	1.9
95.04974	3.6
102.04665	0.8
103.05466	48.4
108.48740	0.6
112.07606	20.7
113.07916	0.7
116.06203	1.0
130.06538	8.3
130.08656	8.7
130.09645	1.0
130.15913	38.7
131.04909	4.8
131.08595	0.8
131.16240	2.0
146.73328	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0652
Annotation	Isoquinoline
Peak:m/z	Relative Intensity
53.03942	1.4
53.66742	0.5
55.02991	1.2
55.05515	2.9
56.05032	5.7
56.96572	4.1
57.03418	0.8
57.07076	0.8
58.02954	0.6
58.06591	1.2
59.06116	2.6
60.04511	0.5
67.02972	0.6
67.05495	2.0
68.05030	0.8
69.03429	40.3
69.07067	4.9
70.02964	0.5
70.06590	3.6
71.04102	0.9
71.04422	0.7
71.04992	1.2
71.93012	0.7
72.04517	1.2
72.05372	0.5
72.08153	9.0
73.04040	0.6
74.06085	0.5
74.09708	0.7
77.03939	0.6
82.05322	0.6
82.06577	2.2
83.00748	0.4
83.02437	0.6
83.06100	0.8
84.04045	0.3
84.04502	13.3
84.08141	27.8
85.02901	0.5
85.04024	0.8
85.04847	0.6
85.07678	1.3
85.08474	0.9
86.06071	0.7
88.07632	0.9
90.04296	1.9
90.94816	0.6
91.05459	2.5
94.06567	0.6
95.04981	3.8
96.22385	0.5
98.04813	0.9
98.07218	0.5
102.04652	0.8
103.05473	20.1
112.07606	73.2
113.07201	0.9
113.07951	2.1
113.10746	0.9
125.96095	1.1
128.04979	1.1
130.02194	1.8
130.06528	100.0
130.08607	12.5
130.15909	0.7
131.04930	1.5
131.06017	0.5
131.06902	3.6
131.08513	0.7
146.06020	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0707
Annotation	L-Baikiain
Peak:m/z	Relative Intensity
55.05511	4.2
55.88501	0.7
56.05039	2.1
57.03441	1.8
58.06610	1.1
59.06124	3.0
67.04241	6.4
68.05034	0.9
69.03443	4.9
69.32480	7.2
70.03789	0.7
70.06592	5.2
71.04990	1.7
74.12101	0.8
80.05020	3.4
81.03416	1.4
82.03756	2.0
82.06578	100.0
83.05004	2.1
83.06102	42.1
83.06918	2.0
83.07347	5.7
83.08651	1.0
84.04492	0.9
84.08144	7.2
86.06059	3.3
88.03981	1.5
98.20657	1.1
98.55885	0.7
100.03978	3.3
100.04659	0.7
100.07615	16.4
101.07124	0.8
101.07949	0.7
110.03180	1.9
110.06038	4.6
110.09679	3.9
111.09193	3.4
112.09634	0.7
119.01939	1.6
120.02071	0.9
128.03426	4.1
128.04271	1.0
128.07074	33.4
128.10725	3.6
129.01837	2.4
129.06599	7.0
132.44658	0.7
134.66374	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.2
53.03946	1.2
55.01884	0.3
55.05513	0.5
56.05033	5.2
56.96561	0.8
57.03425	0.4
57.07077	1.0
59.06127	0.3
59.81817	0.2
67.05502	0.7
69.03426	11.8
69.07064	1.3
70.06596	0.9
71.04996	0.4
72.04498	0.4
72.08157	1.5
74.09713	0.7
77.03941	0.5
81.03417	0.5
82.06573	1.2
84.04504	10.3
84.08141	100.0
85.02914	0.4
85.04851	0.3
85.07690	0.9
85.08460	2.0
86.06056	0.3
91.05474	0.9
95.04965	3.4
98.01308	0.3
102.04697	0.4
103.05465	18.0
104.05783	0.4
105.04512	0.3
112.05076	0.5
112.07599	22.9
113.07255	0.3
113.07944	0.7
116.06187	0.3
116.98652	0.4
128.04970	1.9
130.06522	80.4
130.08592	11.2
130.15919	0.6
131.04947	1.4
131.06873	3.4
131.08447	0.5
146.05988	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.2
55.88501	0.7
56.05039	2.1
57.03441	1.8
58.06610	1.1
59.06124	3.0
67.04241	6.4
68.05034	0.9
69.03443	4.9
69.32480	7.2
70.03789	0.7
70.06592	5.2
71.04990	1.7
74.12101	0.8
80.05020	3.4
81.03416	1.4
82.03756	2.0
82.06578	100.0
83.05004	2.1
83.06102	42.1
83.06918	2.0
83.07347	5.7
83.08651	1.0
84.04492	0.9
84.08144	7.2
86.06059	3.3
88.03981	1.5
98.20657	1.1
98.55885	0.7
100.03978	3.3
100.04659	0.7
100.07615	16.4
101.07124	0.8
101.07949	0.7
110.03180	1.9
110.06038	4.6
110.09679	3.9
111.09193	3.4
112.09634	0.7
119.01939	1.6
120.02071	0.9
128.03426	4.1
128.04271	1.0
128.07074	33.4
128.10725	3.6
129.01837	2.4
129.06599	7.0
132.44658	0.7
134.66374	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.7
54.04269	2.4
55.01859	5.3
55.05508	15.9
56.05021	6.1
56.96564	100.0
57.03434	3.4
58.06593	3.9
59.06114	4.1
60.04528	2.1
60.95856	2.5
67.05497	3.7
68.05023	3.7
69.03416	5.8
69.07075	3.8
69.37113	13.7
69.37527	3.2
70.06586	39.3
71.04984	5.7
71.06088	2.1
71.95257	4.4
72.08144	3.6
74.97601	3.5
77.00897	4.4
77.17711	1.8
79.05513	3.8
79.97776	1.6
81.03404	5.8
81.58951	1.9
82.03743	4.7
82.06576	13.2
83.04962	9.0
83.06077	9.7
83.08607	4.7
83.81928	1.5
84.04485	4.2
84.08141	4.4
85.07665	2.0
86.00938	6.4
86.06063	4.2
86.09693	2.7
87.05571	1.8
88.07618	1.6
91.02363	2.5
91.05460	2.9
91.53704	2.3
92.02606	15.3
93.02905	3.3
93.03431	3.9
93.07030	2.5
94.06584	2.7
95.01944	3.2
96.99725	4.2
97.07675	1.9
98.07169	1.7
98.20770	3.9
98.21429	4.1
98.97557	4.4
100.02466	19.3
100.07612	5.0
101.00876	5.8
102.02227	5.7
103.01822	1.5
103.02409	10.3
103.05482	2.4
104.01967	32.6
105.00385	3.5
105.01082	4.7
105.02113	4.1
105.03401	3.1
105.07033	3.9
106.00301	10.2
107.04952	2.2
110.03209	6.8
110.06084	2.1
111.02094	1.9
111.02800	4.6
111.03819	2.2
111.04452	11.2
111.09201	58.4
111.52528	3.3
112.07617	3.2
112.09505	2.0
113.51660	3.0
114.01496	2.7
114.02403	2.0
115.01221	2.6
116.01324	2.0
116.98596	11.1
118.03518	22.5
118.52419	7.4
119.01914	90.2
119.03608	3.3
120.02014	7.8
120.03307	4.1
120.04299	2.0
121.01672	6.0
121.03512	13.0
122.02066	12.3
122.03005	38.0
122.03838	3.1
122.14346	1.7
122.52251	8.4
123.02087	91.8
123.02908	3.5
124.52470	2.3
125.02606	2.1
125.52332	2.1
128.03413	2.2
128.04260	5.1
128.06209	5.4
128.07083	10.7
128.11833	4.0
128.14374	3.3
129.01828	8.9
129.07016	1.9
129.10286	2.4
131.01900	2.3
132.02608	3.6
132.05119	2.3
132.96436	1.8
133.02225	3.2
133.03419	2.1
134.99660	14.9
135.01959	2.8
136.04555	7.9
137.01222	5.4
137.02948	68.3
138.03084	9.0
139.02701	5.1
140.03017	10.8
141.03122	78.1
141.96964	14.6
142.03506	5.0
145.04593	2.2
146.02803	2.6
146.03798	5.4
146.06616	2.6
146.99597	3.6
147.05032	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0962
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
53.03934	8.6
55.01872	25.0
55.05509	100.0
56.96561	6.8
57.03419	5.8
62.16269	4.4
65.03941	3.8
67.05492	16.9
69.03420	12.8
69.07063	22.0
70.06582	6.3
70.62461	3.5
71.01352	4.6
71.05229	5.8
71.05540	4.6
79.05489	62.1
80.05007	12.0
81.07054	76.6
83.04969	36.0
83.08617	5.4
84.04515	6.3
84.96022	7.3
90.45033	4.2
91.05469	10.2
95.04951	6.6
95.08621	4.6
97.02881	35.2
97.04827	4.4
97.06503	10.7
97.10161	15.1
98.06062	4.6
102.02217	14.9
104.19893	3.6
105.06975	4.3
107.08600	21.1
108.04443	5.0
109.06504	5.6
110.03677	4.7
113.18585	4.0
119.01920	8.7
120.02014	22.9
120.03232	19.6
121.01668	11.4
125.02339	13.2
125.04332	8.2
125.05975	17.4
125.07102	12.1
125.09616	54.9
126.05518	20.8
138.03047	24.6
139.02693	17.7
143.03659	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	124.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
54.03470	1.1
55.01872	2.2
55.05515	0.5
56.05035	3.2
56.96565	5.8
57.04550	0.3
58.99851	0.5
60.00651	0.3
62.12949	0.2
65.03929	1.0
66.03455	0.8
67.02967	0.3
67.04240	0.8
67.05521	0.6
68.05028	2.1
69.03422	0.7
69.04549	0.9
69.07091	0.2
69.66678	1.2
69.67086	0.7
70.06584	0.9
71.01372	0.5
71.41985	0.2
72.80045	0.3
77.00900	0.3
78.04719	0.6
79.01862	0.6
79.05495	6.0
80.05016	5.8
80.05801	0.4
81.03437	0.4
81.04538	3.0
81.05360	0.4
81.05780	1.9
81.07052	0.9
82.05330	0.6
82.06578	3.1
82.07368	0.3
82.99850	0.9
83.04978	0.4
83.05630	0.4
83.06109	5.1
84.04508	1.8
88.51585	0.8
91.02358	0.3
94.06555	0.6
95.04976	1.0
95.06094	0.6
95.07379	0.3
96.04492	4.0
96.05305	0.8
96.06863	0.6
96.08130	9.0
97.02898	2.8
97.04840	0.5
97.06551	0.6
97.07648	3.5
97.08277	0.3
97.08494	0.2
97.52095	0.4
98.20805	0.5
100.02467	1.0
101.00868	7.3
101.02587	0.8
102.00965	0.7
102.02246	0.6
106.06541	0.6
107.04970	0.4
107.06080	4.4
109.05252	0.7
110.03667	0.5
111.04423	0.4
112.03965	2.4
118.03519	0.9
119.01920	100.0
120.02010	8.1
120.03279	0.6
121.02377	0.4
122.52880	0.5
124.02454	0.3
124.03955	6.3
124.04797	0.6
124.07599	5.5
124.08712	5.7
124.09464	0.2
124.11224	1.0
125.02352	0.7
125.06084	0.5
125.07107	1.9
125.07869	0.3
125.10751	0.3
137.02954	71.2
138.03058	6.4
139.03348	0.6
140.03413	0.6
142.03496	6.6
143.03693	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35407	0.1
58.99870	0.3
60.00641	0.2
65.45620	0.2
69.77697	1.0
72.23209	0.1
82.01472	0.2
82.99848	0.6
98.20848	0.3
100.02499	0.7
101.00871	8.8
101.02541	0.9
102.00973	0.4
102.02226	0.2
118.03507	0.7
119.01913	100.0
120.01991	4.6
120.03297	0.3
120.47025	0.2
120.87234	0.1
121.02328	0.4
124.02437	0.3
133.03474	0.2
137.02946	59.4
138.03018	2.6
139.03368	0.3
142.03491	5.5
143.03645	0.2
143.23618	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03470	0.2
56.96572	0.4
58.99855	1.1
60.00650	0.4
68.05031	0.4
70.58179	0.2
70.79536	0.6
70.99860	0.7
77.00912	2.3
80.05019	3.9
81.04534	0.4
82.06577	0.5
82.99859	0.4
83.06094	0.2
84.01159	0.2
89.00884	0.6
95.01959	1.4
95.04959	0.2
96.04490	5.0
96.05258	0.3
97.02882	0.3
100.02479	1.1
101.00874	9.4
101.02566	2.0
102.00928	0.5
102.02204	1.3
107.01920	0.3
110.04771	1.0
112.03970	0.8
115.02406	0.2
118.03518	1.4
119.01918	100.0
120.01054	0.3
120.01994	5.6
120.03191	1.2
121.02407	0.3
124.03956	14.2
124.07629	0.2
124.08694	0.3
125.04266	0.4
125.07114	0.7
133.03479	0.4
136.05760	0.2
137.02953	59.9
138.03050	3.4
139.03482	0.3
140.03429	0.2
142.03482	5.8
143.03683	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02860	0.2
50.37371	0.2
53.03923	0.2
55.34612	0.2
56.05056	0.2
56.96568	1.2
58.99875	0.3
67.05493	0.5
68.05025	0.3
70.76841	0.6
71.95273	0.2
77.00885	0.2
77.03920	0.2
78.04273	0.3
78.04710	3.7
79.05502	0.6
80.05012	0.5
81.04550	0.3
82.06574	0.3
82.99857	0.6
90.93864	0.2
92.05836	0.4
95.04967	0.8
96.04494	0.5
96.05255	0.4
96.08098	0.2
97.06514	0.2
100.02496	0.9
101.00877	12.1
101.02531	0.9
102.00971	0.6
102.02235	0.3
102.89703	0.2
104.05762	0.2
105.03378	0.3
106.04195	0.5
106.06568	0.4
107.04942	0.6
107.06102	0.3
112.03957	0.3
118.03529	0.7
119.01921	100.0
120.02002	4.9
120.03252	0.3
121.02322	0.4
123.04424	1.5
124.02443	0.4
124.03949	0.4
124.05341	1.8
124.07583	1.0
124.08693	0.6
125.07066	0.2
137.02954	51.8
138.03058	3.0
139.03423	0.4
142.03499	4.3
143.03658	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.2
54.03461	0.6
55.01861	2.2
55.05509	5.8
56.05039	1.1
57.07076	5.1
65.03937	3.6
66.92982	0.7
67.05501	23.8
68.05013	1.0
68.99806	0.8
69.07047	4.0
69.68479	1.3
69.68885	3.0
70.06573	0.9
77.03938	1.2
79.05492	19.2
80.05011	9.5
80.05785	0.7
80.62505	0.5
81.03444	1.1
81.04558	1.5
81.07053	100.0
82.07391	1.9
83.06111	1.7
83.74606	0.6
93.07037	2.6
95.04359	1.4
95.04967	21.2
95.08601	13.9
96.04490	4.8
96.05310	0.9
97.05531	0.5
97.07654	1.3
98.21411	1.2
100.02473	8.8
105.03386	0.8
105.04523	0.8
105.07021	1.6
107.06070	1.7
108.05746	1.4
108.07662	1.3
108.09383	1.3
112.03976	2.0
118.03522	9.2
119.01931	3.8
119.03668	0.9
121.10128	1.5
123.04436	16.3
123.05550	12.6
123.07299	0.7
123.08156	4.5
123.10021	0.8
123.11707	15.6
124.03951	6.4
124.04731	0.9
124.07796	0.8
124.08707	3.3
124.12038	0.6
137.02936	2.8
140.03432	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.5
53.03943	6.8
54.03461	2.3
55.01883	1.4
55.02980	1.1
55.03791	0.8
55.05510	7.9
56.05024	3.6
57.07074	5.6
58.99853	1.1
65.03932	2.6
67.05505	24.7
68.05034	4.4
69.04559	1.0
69.07053	2.3
70.06590	2.6
71.20012	1.5
77.03922	2.4
77.86948	0.8
78.03450	2.0
79.05495	21.9
80.05015	36.6
81.02917	0.8
81.03420	2.2
81.04567	5.0
81.07053	100.0
82.01444	2.6
82.04873	1.6
82.07399	2.0
83.05638	1.1
83.06094	4.2
90.14028	0.8
93.07033	3.9
94.07796	1.0
95.01350	1.4
95.04967	45.8
95.06064	2.5
95.08599	16.2
96.04492	30.9
96.08123	1.6
96.08896	0.8
97.07645	4.9
100.02480	46.4
101.00877	2.2
101.02579	3.0
105.03400	1.6
105.04501	2.8
105.07042	2.3
106.02898	2.1
106.07355	3.4
107.06046	4.0
108.05724	3.3
108.07691	3.1
110.68629	0.9
112.03961	11.6
118.03519	57.9
119.01920	47.3
119.03632	4.8
121.10167	2.0
123.04413	13.6
123.05555	48.4
123.06635	2.9
123.07399	4.1
123.08198	11.5
123.09172	2.9
123.09910	4.7
123.11699	17.6
124.03955	35.4
124.04868	1.5
124.05896	2.2
124.07701	1.7
124.08688	9.8
137.02957	43.3
140.03412	7.0
141.05078	5.4
142.03508	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	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.6
51.10853	0.3
53.03944	2.6
54.03479	0.5
55.01876	0.5
55.05511	4.7
56.05025	0.9
57.07074	5.4
65.03938	1.6
66.04691	0.4
67.05502	16.7
68.05003	0.4
68.05835	0.5
69.06774	0.3
69.07070	3.4
69.38007	1.0
69.38432	1.8
77.03918	0.9
78.03468	0.3
79.05492	19.0
80.05016	7.9
80.05812	0.8
81.03441	0.6
81.04539	1.0
81.07055	100.0
82.01454	0.5
82.07382	2.8
83.06107	0.6
86.14328	0.3
91.05460	0.3
93.07047	2.6
94.07819	0.8
95.04967	12.6
95.08604	14.6
96.04500	5.1
96.05146	0.5
96.08090	0.4
97.07639	0.9
100.02480	7.5
101.02586	0.4
105.03397	0.9
105.04508	0.8
105.07036	0.8
106.07345	0.7
107.06059	0.9
108.05715	0.8
108.07662	1.2
108.09377	0.9
112.03957	1.7
118.03517	8.3
119.01148	0.4
119.01919	5.5
119.03700	0.8
121.10154	1.6
123.04420	7.4
123.05541	11.4
123.06532	0.4
123.08162	2.8
123.09103	0.5
123.10028	0.8
123.11702	17.1
124.03959	5.9
124.04850	0.6
124.05898	0.5
124.07644	0.5
124.08677	1.9
124.12026	0.7
137.01976	0.4
137.02953	4.8
138.81064	0.3
140.03433	0.6
141.05093	0.7
142.03494	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02378	1.1
52.26308	0.7
53.03941	5.8
53.08195	0.8
54.03447	0.9
55.01873	1.3
55.05510	13.4
56.05032	1.3
57.07076	4.8
65.03944	3.8
66.03484	0.7
66.04700	0.7
67.05504	54.0
68.05003	1.0
68.05823	1.3
69.03420	1.5
69.07063	4.2
70.06576	0.7
71.29043	1.8
77.03924	1.7
79.05492	31.1
80.05018	7.6
80.05814	1.7
80.06271	2.1
81.03397	1.7
81.04523	1.3
81.07054	100.0
82.06605	0.9
82.07389	3.2
83.06107	1.6
91.05462	4.6
93.07048	10.9
95.04968	20.9
95.08604	51.7
96.04493	5.4
96.08950	2.2
97.07648	2.3
97.76728	0.6
100.02459	4.3
103.05502	1.8
105.03392	1.5
105.04530	1.8
105.07034	11.7
107.04960	7.0
107.06039	1.8
107.39233	0.7
108.05750	32.4
108.09386	1.0
109.06058	0.8
112.03976	1.5
118.03528	4.2
119.01922	5.6
121.06494	5.2
121.10123	1.0
122.06893	0.7
123.04440	7.8
123.05555	10.8
123.08076	75.4
123.11700	18.2
124.03931	5.2
124.08551	4.2
137.02956	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67418	0.4
51.02382	1.5
52.58542	0.4
52.78819	0.4
53.03945	6.0
54.03474	1.0
55.01865	1.9
55.05503	4.8
56.05040	1.7
57.07074	4.8
65.03934	2.0
67.05508	18.8
68.05031	1.1
68.05845	0.5
69.07072	3.2
69.28641	0.4
70.06587	0.9
70.88235	1.5
77.03934	4.0
78.03460	0.5
79.05496	18.4
79.05964	1.0
80.05015	13.9
80.05788	0.7
81.03440	1.1
81.04578	2.2
81.07056	100.0
82.01471	0.6
82.02921	0.5
82.05331	0.8
82.07383	2.5
83.06094	1.8
91.05485	0.9
93.07029	3.3
94.07848	0.7
95.04969	25.0
95.08608	14.7
96.04491	7.5
96.05166	0.7
96.05267	0.5
96.08875	0.5
97.07638	1.5
100.02481	12.0
101.00878	0.7
101.02537	1.0
105.03384	3.6
105.04514	1.2
105.07014	1.6
106.02905	0.5
106.07350	1.2
107.06085	2.0
108.05751	1.3
108.07675	1.5
108.09377	0.9
112.03968	2.7
118.03517	14.8
119.01925	9.8
119.03613	1.0
121.10145	1.1
123.04425	21.7
123.05546	18.3
123.06510	0.9
123.07318	0.9
123.08169	5.1
123.09040	0.8
123.10020	1.8
123.11702	15.3
124.03952	11.0
124.04784	1.3
124.07651	0.8
124.08701	4.0
124.12021	1.6
136.04550	0.8
137.02946	7.4
140.03429	1.8
141.05096	1.1
142.03464	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	2,4-Dimethylphenol
Peak:m/z	Relative Intensity
53.03941	7.5
54.03446	1.7
55.01867	2.6
55.05510	26.8
56.05036	1.7
57.03463	0.7
57.07073	2.6
62.53740	0.8
65.03957	5.0
66.03473	0.9
66.04736	0.8
67.05505	100.0
68.05031	2.4
68.05837	1.9
69.03430	1.0
69.07056	1.7
69.58199	6.7
75.60638	0.8
77.03918	1.2
79.05493	21.0
80.05019	7.4
80.05834	1.2
80.06277	2.7
81.03415	1.7
81.04543	2.1
81.07056	56.6
82.06590	1.6
82.07386	1.4
83.06105	2.2
91.05479	3.9
93.07046	17.5
95.04970	23.8
95.08606	85.0
96.04488	3.7
96.05293	0.8
96.08944	2.3
97.07652	1.9
98.20759	1.5
99.40549	0.7
100.02496	2.4
101.54625	0.8
103.05450	2.2
105.04530	2.0
105.07028	9.2
106.07381	0.8
107.04935	4.9
107.06097	2.9
108.05740	29.0
108.07679	2.0
108.89098	0.7
112.03961	1.0
118.03521	1.7
119.01941	2.9
121.06532	3.3
123.04553	6.0
123.05559	9.0
123.08086	43.2
123.10008	2.1
123.11696	8.8
124.03933	4.1
124.08656	5.8
137.02960	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	1.4
50.26039	0.3
51.02385	7.5
53.00292	0.3
53.03708	0.5
53.03947	7.6
55.01881	2.3
55.05503	0.8
56.05042	0.3
57.07066	0.5
61.73930	0.3
65.03943	1.5
67.05508	14.1
68.05007	0.4
70.06236	1.7
77.03930	15.3
79.05494	2.7
80.05020	4.3
81.03413	0.9
81.04530	0.7
81.07059	10.1
83.06099	0.5
95.04973	28.0
95.08595	1.6
96.04488	2.1
96.05255	0.4
97.07670	0.5
100.02474	3.7
101.02557	0.4
105.03398	17.2
105.04470	3.5
105.06956	0.4
106.07322	0.4
107.06046	0.5
108.07700	0.4
112.03987	0.9
118.03526	3.7
119.01929	2.2
123.04434	100.0
123.05495	5.9
123.08125	2.0
123.10015	0.6
123.11703	1.6
124.03948	2.8
124.04791	2.9
124.08701	0.9
137.02957	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01601	2.4
51.02382	6.1
53.03946	7.5
53.82724	0.3
54.03458	0.8
55.01875	2.5
55.05510	2.0
56.05028	0.8
57.07071	0.8
65.03928	2.3
67.05502	16.2
68.05025	0.7
68.05836	0.3
68.99796	0.5
69.07063	0.8
70.83771	0.6
70.84107	0.4
77.03928	16.2
79.05056	0.6
79.05490	6.7
80.05014	7.4
81.03405	1.2
81.04523	1.0
81.07053	23.8
82.04866	0.5
82.05307	0.4
82.06573	2.9
82.07370	0.4
83.06112	0.8
93.07059	1.1
95.04965	32.5
95.08604	4.8
96.04487	3.0
96.05264	0.6
97.07662	0.7
100.02484	5.8
101.02575	0.3
105.03392	16.9
105.04467	3.8
105.07016	0.8
106.02939	0.3
106.07346	0.6
107.06087	0.7
108.05741	0.8
108.07660	0.7
112.03987	0.8
118.03519	7.4
118.04326	0.6
119.01904	2.6
119.03663	0.5
123.04429	100.0
123.05510	9.6
123.08134	2.5
123.10019	0.8
123.11694	3.5
124.03942	4.9
124.04788	2.9
124.07632	0.5
124.08680	1.4
124.11226	0.9
137.02968	2.3
137.95494	0.3
140.03381	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01588	1.5
51.02377	7.2
53.03950	12.8
54.03460	2.6
55.01866	3.9
55.05507	3.6
56.05032	3.7
57.07067	1.0
65.03934	3.4
67.04269	1.2
67.05508	25.7
68.05035	4.7
68.05346	0.7
68.05810	1.5
69.04551	0.9
69.07047	0.8
70.06607	1.5
77.03521	1.1
77.03933	12.6
78.03465	1.0
79.05495	9.5
80.05017	19.2
81.03417	1.8
81.04537	5.0
81.07056	31.9
82.02943	0.9
82.04869	1.3
82.05336	1.2
82.06564	2.1
83.06086	4.7
85.90829	0.7
93.07056	2.5
94.04227	1.0
95.04973	57.0
95.06062	2.6
95.08605	8.5
96.04495	9.3
96.05287	1.4
97.07678	3.9
100.02489	14.1
101.00857	1.5
105.03397	15.5
105.04504	5.0
105.06986	1.9
106.06613	1.1
106.07312	1.5
107.06096	5.2
108.05750	2.9
108.07004	1.0
108.07682	2.8
112.03980	2.4
113.85224	0.8
118.03531	13.2
119.01917	14.6
123.04433	100.0
123.05533	21.9
123.07335	1.8
123.08080	10.0
123.09190	3.6
123.10024	2.9
123.11687	4.4
124.03950	9.2
124.04839	2.9
124.07815	1.4
124.08710	8.8
137.02962	11.2
140.03450	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0441
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01596	2.0
51.02382	7.2
52.78269	0.3
53.03705	0.5
53.03947	7.8
53.05061	0.3
54.03465	0.7
55.01875	1.6
56.05025	1.0
65.03941	1.6
67.05504	13.0
68.05022	0.8
68.93243	0.3
69.47368	2.5
70.06598	0.5
73.45570	0.3
77.03928	14.6
78.03485	0.3
79.05489	1.7
80.05014	4.3
81.03411	0.9
81.04533	1.3
81.07050	4.8
82.01458	0.6
82.04840	0.3
82.05314	0.4
82.06573	0.5
83.06101	1.4
83.66977	0.3
95.04968	26.8
95.08611	0.9
96.04487	3.2
96.05176	0.6
97.07656	0.9
100.02483	4.3
101.00844	0.4
105.03391	16.8
105.04464	3.3
106.03670	0.3
106.07375	0.7
107.06089	1.2
108.05695	0.4
108.07674	1.0
112.03959	0.8
112.72556	0.3
117.71004	0.3
118.03522	4.9
119.01916	2.7
123.04428	100.0
123.05481	5.8
123.07457	1.4
123.08115	1.1
123.09180	0.8
123.10020	1.3
123.11719	0.7
124.03939	3.0
124.04790	2.4
124.07654	0.4
124.08700	2.3
137.02957	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01580	1.8
51.02382	7.7
53.03943	12.8
53.09554	0.8
54.01143	0.9
54.03456	2.9
54.87252	0.8
55.01858	2.9
55.05498	2.4
56.05036	4.4
56.96552	1.1
65.03924	2.8
66.03462	1.8
67.02989	1.1
67.05502	18.5
68.05022	6.0
69.04539	0.9
70.06581	1.9
70.18525	4.1
77.03926	14.1
78.04697	3.1
79.05491	7.5
80.05012	18.4
81.03387	2.8
81.04532	5.1
81.07055	16.2
82.01442	1.2
82.05287	1.3
82.06551	1.7
83.05664	1.1
83.06099	6.4
86.76532	0.8
93.07047	1.9
95.01328	0.9
95.04963	55.3
95.06068	4.4
95.08602	4.4
96.04481	12.0
96.05162	1.1
96.08134	1.1
97.07646	4.6
100.02483	15.1
101.00871	1.5
101.02543	1.0
105.03386	18.0
105.04465	5.2
105.06979	0.9
106.07336	2.4
107.06092	6.2
108.05746	1.1
108.07626	4.9
112.03953	2.5
118.03513	15.7
119.01917	20.4
119.03635	1.2
120.55801	0.9
123.04414	100.0
123.05520	23.2
123.07397	3.1
123.08067	5.4
123.09173	3.1
123.09943	4.7
123.11684	2.0
124.03974	9.3
124.04800	2.4
124.08700	9.2
134.59892	0.8
137.02951	18.7
140.03453	1.2
142.03517	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	Tropolone
Peak:m/z	Relative Intensity
51.02370	1.5
53.03943	7.6
55.01868	12.1
61.79112	1.0
62.59026	1.2
65.03947	7.4
67.05503	54.5
68.05026	1.8
68.99787	4.7
70.48512	1.2
70.55344	3.2
77.03929	1.6
78.03450	1.2
79.05489	3.4
80.05019	23.8
81.03439	1.7
81.04534	2.2
81.07053	15.1
82.01460	3.6
95.04968	70.2
95.08607	3.9
96.04494	16.6
96.05356	1.8
100.02481	45.0
101.00892	2.7
101.02584	1.8
104.31898	1.2
105.04517	3.2
106.07351	2.5
108.07686	3.9
112.03969	6.0
112.46848	1.1
118.03518	48.9
119.01916	32.6
119.03627	2.4
123.04433	100.0
123.05544	34.4
123.08089	8.8
123.09105	2.0
123.09986	4.1
124.03133	2.3
124.03954	15.4
124.04760	3.2
124.08643	1.4
137.02951	22.5
140.03447	2.4
141.05096	5.1
142.03499	4.4
142.05124	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	Tropolone
Peak:m/z	Relative Intensity
51.02362	0.6
52.76258	0.6
53.03943	4.4
55.01627	0.8
55.01871	11.7
65.03938	9.3
67.05503	46.8
68.05826	1.1
68.99784	2.9
69.22314	0.5
70.20503	1.2
70.20895	1.0
77.03915	0.9
79.05491	2.2
80.05016	8.7
81.03424	0.7
81.07057	5.8
82.01434	1.2
93.07042	0.8
95.01370	0.7
95.04965	55.7
95.08643	1.3
96.04489	6.4
96.05301	1.8
99.41251	0.7
99.65603	0.5
100.01874	0.6
100.02480	15.0
101.02557	1.1
105.03423	0.5
105.04514	1.6
106.07352	0.8
108.07665	1.2
112.03969	1.7
118.03516	17.9
119.01913	9.9
119.03587	1.0
123.04430	100.0
123.05514	10.7
123.08079	3.5
123.09106	0.7
123.09987	1.2
123.11720	0.5
124.03947	5.1
124.04797	2.4
124.07596	0.6
137.02959	6.7
140.03473	0.6
141.05081	1.0
142.03555	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91038	0.3
52.67745	0.3
53.03943	0.6
53.85580	0.3
55.01878	0.4
56.96558	1.4
57.03436	0.9
58.99859	1.6
59.69360	0.4
67.05496	0.9
69.03428	0.7
69.96226	1.9
70.99844	0.7
75.02142	0.4
77.00905	2.9
78.52992	0.4
78.79562	0.4
80.05015	2.2
82.01435	6.0
82.99831	0.5
89.00883	0.6
95.01965	0.7
95.04973	2.8
96.04495	1.2
98.21452	0.5
98.97586	0.8
100.00100	1.3
100.02479	51.5
101.00876	10.4
101.02536	2.8
103.02422	0.7
116.98643	0.8
118.01153	5.6
118.03516	46.2
119.01917	100.0
119.03613	3.4
121.03506	0.9
122.48758	0.4
123.04120	1.3
123.05533	2.4
124.02473	0.4
124.03948	4.8
131.01878	1.4
133.03487	0.6
136.02184	1.2
136.04510	1.9
137.02953	51.6
139.03345	0.5
141.02704	0.4
141.05083	1.7
142.03484	5.7
142.31157	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	Tropolone
Peak:m/z	Relative Intensity
51.02380	2.2
53.00306	1.8
53.03942	12.2
54.03460	2.2
55.01875	10.3
55.05492	3.2
56.05031	2.7
57.07071	1.7
58.99842	1.5
65.03930	6.9
67.05505	47.3
68.05037	3.8
68.99781	9.0
69.04491	1.2
69.07049	2.2
69.95266	7.4
70.06558	1.5
77.03915	2.4
78.03432	2.5
79.05488	15.5
80.05018	53.6
80.05771	2.4
81.03403	2.0
81.04532	4.5
81.05821	1.9
81.07057	50.1
82.01450	5.1
83.06083	1.9
93.07024	4.3
95.01334	23.6
95.01894	3.0
95.04964	95.5
95.08598	13.4
95.55162	1.5
96.04488	45.8
96.05285	2.6
97.07638	3.1
100.02478	88.1
101.00873	3.4
101.02554	3.8
105.03343	1.6
105.04498	3.7
105.07042	2.7
106.02955	2.2
106.07355	6.8
107.06087	1.5
108.05730	2.4
108.07017	1.7
108.07688	6.4
112.03939	14.6
118.03519	100.0
119.01917	54.2
119.02811	1.5
119.03627	7.1
123.00808	4.2
123.04418	77.3
123.05543	73.2
123.06597	4.1
123.08141	20.1
123.09146	3.1
123.09978	8.6
123.11716	6.9
124.03953	41.7
124.04819	2.6
124.05862	3.7
124.07635	1.9
124.08655	5.6
136.04559	2.3
137.02954	52.0
140.03430	5.3
141.05086	9.2
141.68442	1.4
142.03430	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	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91038	0.3
52.67745	0.3
53.03943	0.6
53.85580	0.3
55.01878	0.4
56.96558	1.4
57.03436	0.9
58.99859	1.6
59.69360	0.4
67.05496	0.9
69.03428	0.7
69.96226	1.9
70.99844	0.7
75.02142	0.4
77.00905	2.9
78.52992	0.4
78.79562	0.4
80.05015	2.2
82.01435	6.0
82.99831	0.5
89.00883	0.6
95.01965	0.7
95.04973	2.8
96.04495	1.2
98.21452	0.5
98.97586	0.8
100.00100	1.3
100.02479	51.5
101.00876	10.4
101.02536	2.8
103.02422	0.7
116.98643	0.8
118.01153	5.6
118.03516	46.2
119.01917	100.0
119.03613	3.4
121.03506	0.9
122.48758	0.4
123.04120	1.3
123.05533	2.4
124.02473	0.4
124.03948	4.8
131.01878	1.4
133.03487	0.6
136.02184	1.2
136.04510	1.9
137.02953	51.6
139.03345	0.5
141.02704	0.4
141.05083	1.7
142.03484	5.7
142.31157	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91038	0.3
52.67745	0.3
53.03943	0.6
53.85580	0.3
55.01878	0.4
56.96558	1.4
57.03436	0.9
58.99859	1.6
59.69360	0.4
67.05496	0.9
69.03428	0.7
69.96226	1.9
70.99844	0.7
75.02142	0.4
77.00905	2.9
78.52992	0.4
78.79562	0.4
80.05015	2.2
82.01435	6.0
82.99831	0.5
89.00883	0.6
95.01965	0.7
95.04973	2.8
96.04495	1.2
98.21452	0.5
98.97586	0.8
100.00100	1.3
100.02479	51.5
101.00876	10.4
101.02536	2.8
103.02422	0.7
116.98643	0.8
118.01153	5.6
118.03516	46.2
119.01917	100.0
119.03613	3.4
121.03506	0.9
122.48758	0.4
123.04120	1.3
123.05533	2.4
124.02473	0.4
124.03948	4.8
131.01878	1.4
133.03487	0.6
136.02184	1.2
136.04510	1.9
137.02953	51.6
139.03345	0.5
141.02704	0.4
141.05083	1.7
142.03484	5.7
142.31157	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	122.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71394	0.3
51.34201	0.3
53.03931	1.5
54.03460	0.5
54.04289	0.3
67.05501	0.5
68.05013	0.8
69.25029	0.4
69.25432	3.6
69.29309	0.3
77.03921	0.6
79.05065	0.6
79.05492	8.5
80.05006	0.7
81.04533	1.1
81.07063	0.3
82.05317	1.9
91.13712	0.3
92.05783	0.5
94.06568	0.4
94.07355	0.5
95.04972	4.0
95.06094	2.0
95.08620	0.4
96.04510	0.5
96.05238	0.4
98.20739	0.7
100.02475	0.6
103.05467	5.2
104.05796	1.3
105.07027	100.0
106.07358	4.3
107.07336	1.5
108.09608	0.4
122.07180	3.2
122.09666	1.5
123.04422	0.8
123.05556	1.1
134.00922	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	122.0966
Annotation	Phenethylamine
Peak:m/z	Relative Intensity
50.44134	0.5
53.03940	2.5
54.03466	3.4
54.04272	0.5
55.01855	0.5
56.96545	0.6
62.75392	0.4
63.57174	0.5
67.02972	0.8
67.05496	1.5
68.05025	2.7
70.83102	1.5
77.03917	0.9
79.05495	8.9
80.05008	2.3
80.05869	0.5
81.04536	4.6
81.07069	1.3
82.05322	6.4
92.05802	1.2
94.06564	0.7
94.07371	0.7
95.04372	0.7
95.04973	10.1
95.06080	7.0
96.04475	1.3
98.89063	0.5
100.02469	1.4
103.05470	5.4
104.05758	2.3
105.04531	1.7
105.07029	100.0
106.07355	4.2
107.07339	3.6
118.03525	1.7
122.06048	1.2
122.07160	11.9
122.09666	4.3
123.04447	2.7
123.05545	4.2
123.08112	1.1
123.09100	0.6
127.74256	0.5
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
51.02373	2.0
53.03710	1.2
53.03946	19.1
54.03460	4.8
55.01874	1.5
55.05505	6.1
65.03929	6.5
67.05505	4.3
68.05038	1.1
69.75802	5.8
70.06586	1.8
72.23015	0.8
76.02244	0.9
77.03931	3.1
79.05490	62.0
80.04990	1.8
80.05799	1.1
81.03398	2.4
81.04532	10.9
81.07045	2.7
82.05326	7.2
91.05476	53.2
92.05780	1.6
93.07037	72.2
94.04162	1.1
94.06554	2.5
94.07373	2.8
95.04968	38.1
95.05993	4.9
96.05302	1.0
103.05463	40.7
104.05820	2.7
105.04523	8.4
105.07025	100.0
106.07899	5.9
107.04896	1.2
107.07333	15.9
111.04465	1.9
119.08583	14.0
121.02836	4.1
121.03995	2.3
121.06519	16.2
121.07433	1.2
121.10133	42.8
122.06155	1.6
122.07146	40.3
122.09655	17.1
122.10434	1.8
122.97236	0.9
123.08057	10.3
129.10965	1.0
133.07594	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	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02375	2.9
53.03712	1.1
53.03947	17.7
54.03475	12.1
55.01860	2.5
55.05521	4.0
58.02958	1.4
59.76319	0.8
65.03939	22.2
67.02958	1.2
67.05505	5.5
68.05029	2.1
68.94376	0.7
69.46316	8.0
69.50295	0.7
70.06583	2.5
77.03915	2.4
78.03422	0.9
78.04733	1.0
79.02950	1.1
79.05490	52.4
80.05003	2.5
80.05810	1.2
81.03408	1.9
81.04543	21.7
81.05814	0.9
81.07053	2.4
81.77509	0.8
82.05328	15.1
83.79755	0.8
91.05479	48.0
91.87929	0.9
92.05827	2.4
93.03399	2.8
93.07043	52.2
94.06559	2.6
94.07377	1.6
95.04969	41.9
95.06057	11.5
96.05302	1.5
98.03674	1.3
100.21204	0.8
103.05465	46.4
104.05783	3.3
105.03428	1.0
105.04520	9.1
105.07028	100.0
106.06538	2.8
106.07905	6.5
107.04948	8.1
107.07336	37.9
111.04460	5.4
112.03962	1.7
119.08566	11.2
120.05591	1.2
120.08101	1.4
120.08913	1.4
121.02866	15.8
121.03977	7.0
121.04749	1.1
121.06505	24.3
121.07527	1.9
121.08395	1.3
121.10140	33.2
122.06145	3.2
122.07154	76.1
122.09663	37.2
122.10455	2.1
123.08036	11.3
133.07651	3.9
133.09175	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.39408	1.0
51.02369	4.3
53.03944	20.3
54.03466	14.6
55.01860	3.9
55.05500	5.8
56.96571	1.7
65.03934	16.7
65.17927	1.0
66.03429	1.3
66.04266	1.1
67.02967	3.1
67.05500	5.8
68.05037	4.9
70.06576	3.2
71.05069	3.2
77.03925	3.9
78.03436	1.2
79.05489	58.7
80.05006	5.8
80.05817	1.7
81.03428	3.6
81.04540	28.9
81.05792	2.4
81.07059	3.3
82.05317	34.6
82.05803	1.9
91.05476	70.6
92.05816	3.4
93.03407	2.6
93.07037	82.1
94.04186	1.0
94.06572	10.1
94.07360	2.8
95.04967	56.1
95.06062	22.3
96.05296	1.7
102.04619	1.2
103.05461	57.0
104.05058	1.4
104.05801	3.4
105.03422	1.1
105.04523	15.6
105.07024	93.5
106.05343	1.4
106.06574	7.5
106.07810	3.7
107.04861	2.4
107.07331	63.3
108.96484	1.0
111.04452	4.1
112.03998	1.0
114.39514	1.0
119.08579	7.9
120.05598	1.5
120.08130	2.9
121.02877	10.1
121.04003	4.9
121.06510	36.2
121.07627	4.6
121.08377	1.4
121.10128	28.7
122.06120	4.6
122.07147	100.0
122.09657	61.4
123.08060	8.8
133.07637	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
50.01602	1.0
50.47044	0.3
51.02377	2.2
53.03944	13.2
54.03466	1.5
54.04279	0.8
55.01874	2.7
55.05513	2.1
65.03938	4.3
66.04720	0.6
67.05499	1.5
68.04984	0.4
70.06590	0.3
70.32870	0.4
71.58597	0.5
77.03922	4.0
78.04697	1.3
79.05489	47.6
80.05001	0.6
80.05835	1.0
80.06266	0.7
81.03421	2.6
81.04533	3.3
81.05792	0.3
81.07050	1.4
82.05305	2.4
84.44700	0.3
91.05478	62.4
92.05792	2.4
92.06264	0.3
93.07040	49.2
94.04206	0.4
94.06569	0.9
94.07365	1.9
95.04964	52.4
95.06047	2.1
96.05298	1.2
96.45732	0.3
98.81506	0.3
102.04684	1.3
103.05463	67.5
104.05744	2.5
105.04528	11.1
105.07024	100.0
106.06538	0.8
106.07269	2.1
106.07915	6.4
107.04931	0.4
107.07332	14.1
111.04436	0.6
117.06996	0.4
118.06602	0.5
119.08575	15.9
120.08118	0.4
120.08923	0.9
121.02898	2.4
121.06500	60.0
121.10137	35.1
122.05941	0.5
122.07158	11.2
122.09662	12.8
122.10474	1.5
123.08056	11.4
124.08480	0.5
133.07594	4.2
138.06743	0.5
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	Unknow
Peak:m/z	Relative Intensity
51.02388	1.2
51.38722	0.4
53.03947	8.8
54.03466	1.9
55.01867	0.7
55.05510	1.2
65.03926	2.0
67.05500	0.7
68.14498	0.4
70.75420	0.6
70.75771	0.8
76.99978	0.4
77.03926	2.4
78.04717	1.3
79.05493	45.5
80.05826	1.1
81.03432	1.6
81.04537	3.1
81.07068	0.7
82.05335	2.2
85.39110	0.4
86.98363	0.4
91.05479	20.8
92.05822	0.9
93.07042	17.3
94.07359	0.8
94.07884	0.6
95.04971	20.3
95.06081	1.1
97.99633	0.4
103.05467	27.1
104.05730	0.8
105.04553	4.2
105.07029	100.0
106.07262	1.9
106.07921	5.8
107.04955	19.3
107.07323	3.9
119.08582	15.2
120.08890	1.0
121.02873	0.8
121.06502	12.1
121.10141	38.7
122.07185	13.8
122.09667	3.2
122.10494	1.5
123.08064	12.7
124.08382	0.4
133.07619	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	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
50.66597	0.4
51.02384	1.0
53.03947	8.4
53.11246	0.4
54.03472	1.6
55.01859	0.6
55.05516	1.0
65.03945	2.2
67.05524	0.7
68.05023	0.6
68.63857	0.4
70.06599	0.6
71.58148	0.8
77.03934	1.8
78.04729	1.0
79.05493	47.7
80.05829	1.4
80.91596	0.4
81.03415	0.9
81.04535	3.9
81.07044	0.8
82.04910	0.5
82.05312	2.6
91.05480	24.2
92.05801	1.2
93.07041	22.9
94.06567	0.8
94.07359	0.6
95.04967	19.8
95.06096	1.3
103.05470	30.3
104.05727	0.7
104.06322	0.6
105.04539	4.9
105.07030	100.0
106.07251	1.3
106.07903	6.7
107.04950	24.6
107.07331	3.3
107.07999	0.6
119.08585	14.5
119.09463	0.7
120.08936	0.8
121.02895	1.1
121.04004	0.7
121.06508	14.3
121.10142	40.2
122.06107	0.9
122.07198	15.9
122.09660	2.7
122.10474	1.7
123.08070	12.4
124.85547	0.4
133.07603	4.8
138.06735	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01584	1.3
51.02379	2.9
53.03946	30.9
55.01867	3.0
61.76748	0.8
65.03934	1.8
66.21960	0.7
71.59426	1.3
74.89840	0.8
75.66980	0.8
76.74027	0.8
77.03925	5.8
79.05489	1.5
81.03419	3.5
91.05479	72.6
92.05782	0.8
93.07040	57.0
94.04170	0.9
94.07401	1.9
95.04965	69.9
96.05295	1.5
102.04662	3.2
103.05463	100.0
104.05785	2.4
105.04516	12.8
119.04909	0.9
120.79882	0.8
121.06500	73.1
122.06834	1.8
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
50.01600	1.2
50.09259	0.6
51.02372	3.5
53.03945	24.8
55.01879	3.4
59.13002	0.7
63.72082	0.7
65.03938	2.3
70.43044	1.3
70.43433	1.6
77.03922	5.6
78.04723	0.8
78.21857	0.6
79.05479	1.2
80.88877	0.7
81.03414	2.7
91.05479	79.1
92.05828	1.8
93.07039	60.0
93.75876	0.7
94.04139	1.0
94.07390	1.5
95.04964	59.6
96.05307	1.5
102.04681	2.5
103.05463	100.0
104.05809	3.1
105.04510	10.3
119.04936	0.8
121.06499	77.9
122.06834	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	120.081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.1
52.56358	0.6
53.03942	6.9
55.05496	0.7
56.05038	3.7
60.80275	0.6
65.03939	6.8
66.03447	0.8
67.05501	1.3
71.21753	1.1
74.06076	3.6
75.09343	0.7
77.03912	1.8
78.93126	1.5
79.05502	4.6
80.05020	0.7
91.05475	21.3
91.57500	0.7
92.05010	4.3
92.05794	5.1
93.04520	2.7
93.07041	21.8
93.97659	0.8
94.06566	1.5
95.04961	18.4
96.94188	1.2
102.04695	1.3
102.29843	0.7
103.05462	100.0
103.68031	0.7
104.05814	2.7
105.04509	3.6
105.07053	3.3
110.06046	0.6
111.04464	1.4
118.06549	2.1
119.07319	1.7
120.04515	4.4
120.05602	10.3
120.08100	69.2
121.02858	2.9
121.03976	2.0
121.06503	11.3
121.07455	1.3
121.08429	2.1
121.10112	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01570	0.3
51.02378	1.2
53.03946	6.1
55.01868	0.5
55.05513	0.5
65.03931	4.3
70.66356	0.3
71.32281	0.5
71.58395	0.3
74.06064	0.6
77.03909	1.2
78.93112	1.1
79.02944	0.5
79.05490	6.6
80.05025	0.9
81.03410	0.5
81.07049	0.3
88.93821	0.3
91.05478	20.4
92.05000	2.4
92.05816	3.4
92.06316	0.5
93.04533	1.3
93.07040	22.4
94.06573	0.9
94.07372	0.6
95.04964	14.5
99.60050	0.3
100.31290	0.3
100.86472	0.3
102.04668	1.3
103.05465	100.0
104.05772	2.7
105.04526	2.9
105.05927	0.4
105.07028	8.6
106.07800	0.9
110.06117	0.4
111.04436	0.5
118.06536	2.0
118.07303	0.5
119.07324	1.2
119.08589	1.5
120.04488	1.7
120.05589	4.0
120.08102	76.1
121.02876	1.5
121.03972	1.3
121.05093	0.3
121.06514	5.5
121.07448	0.6
121.07593	0.5
121.08392	2.2
121.10139	4.5
123.08066	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.6
53.03945	4.7
54.29963	0.4
65.03939	1.0
71.02785	0.8
71.03143	0.9
75.54470	0.4
77.03934	0.6
79.05502	1.1
80.05030	0.7
91.05481	13.9
92.05042	0.5
93.05779	0.6
93.07040	15.3
95.04966	10.7
102.04707	1.2
103.05465	100.0
104.05196	0.4
104.05796	2.5
105.04506	2.0
107.47752	0.4
118.06535	1.7
119.07323	1.8
120.08105	80.7
121.06535	0.9
121.08427	2.4
123.86153	0.4
136.26643	0.4
139.21101	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27644	1.3
53.03929	5.7
55.01858	4.6
55.05304	1.2
55.05512	12.7
56.96563	100.0
57.03417	2.0
58.67643	1.3
58.96133	1.2
58.99847	5.0
60.04503	2.0
60.95851	7.6
65.03938	22.1
66.04276	1.4
67.05498	6.9
68.02634	3.0
68.05019	2.2
69.03425	20.9
69.92770	8.0
70.03766	2.9
71.04959	2.1
71.53047	1.5
71.95248	6.3
74.06052	1.7
74.97597	3.9
77.00577	1.3
77.00906	14.8
78.00970	2.0
78.04713	1.5
78.81982	1.2
78.93111	3.1
79.00638	2.2
79.02970	3.8
79.05484	3.9
79.52795	1.2
80.00383	1.4
81.03423	8.7
81.07016	1.8
82.01404	1.6
83.01514	1.7
83.04976	8.8
85.01374	1.3
85.02909	1.4
86.01414	2.3
88.51702	9.3
88.53330	1.7
89.00886	12.2
90.01668	1.8
91.05476	11.3
92.04991	6.5
92.05801	5.9
93.01877	3.9
93.04510	4.8
93.07031	5.7
94.03558	2.0
95.01955	8.9
95.04950	5.6
96.50500	1.7
96.99743	5.2
97.02187	1.6
97.49772	1.5
98.01409	48.0
98.21071	4.3
98.51459	6.6
98.97562	18.4
100.02472	39.9
100.08478	1.3
100.51665	4.7
101.00866	2.5
101.02545	14.0
102.02235	12.8
102.96863	3.2
103.00638	1.8
103.02436	20.3
103.05488	6.4
103.53717	4.0
104.01430	7.4
104.02508	4.2
105.02205	8.5
105.03378	3.1
105.07008	3.9
105.99627	1.7
106.00288	18.8
106.01008	2.6
106.02654	12.8
106.50336	2.5
106.52708	2.5
107.00148	2.8
107.01930	7.9
109.52202	12.5
110.02217	1.4
110.05952	1.5
111.04436	62.7
112.04736	2.3
113.01904	9.4
113.51978	1.7
115.00801	6.1
115.02425	2.1
115.03198	2.2
115.50814	2.1
115.52174	1.9
116.98610	29.3
117.05663	4.5
117.51070	2.1
117.53436	5.6
118.01154	10.5
118.03524	40.0
119.01918	53.5
119.03604	15.2
119.04895	2.2
120.02006	37.9
120.03254	17.8
120.04505	3.4
120.05570	18.9
120.08097	3.8
120.97906	5.2
121.01646	21.3
121.02874	4.1
121.03513	26.2
121.06459	5.8
122.03586	4.5
123.03211	9.3
123.03991	2.4
124.97558	5.3
126.04003	2.2
127.01638	2.1
131.01886	9.2
131.03699	1.8
132.05046	3.8
133.03566	2.8
133.98088	37.1
134.99651	67.5
135.03128	2.3
135.99998	1.5
136.02165	4.2
136.04507	2.2
137.02953	37.0
138.01979	3.1
138.03041	34.1
138.98959	11.4
139.02692	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	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03932	3.4
59.05036	1.0
59.06113	1.2
65.03932	4.7
69.42174	4.9
69.42593	3.3
78.04707	3.0
79.05493	10.2
87.11686	0.8
91.05482	100.0
92.05820	3.2
93.07026	5.7
95.04977	6.6
96.05307	1.2
98.21570	1.9
103.05464	13.7
104.06252	14.0
104.32527	0.9
105.04501	1.4
109.06535	1.4
115.05457	7.5
117.07017	22.6
119.08583	83.3
120.08881	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47521	3.5
56.96563	9.9
59.06094	4.9
59.47408	4.0
65.03939	4.7
67.05493	14.6
69.03431	41.6
70.84698	13.4
79.05466	5.4
80.06277	9.3
82.01414	6.8
87.53477	8.1
91.05483	33.0
93.07040	10.5
95.04960	6.5
100.02482	50.2
101.00854	6.2
103.02437	17.1
107.05269	14.2
107.55322	4.4
111.04433	6.1
111.96617	4.8
116.05770	8.4
118.03524	41.1
118.83772	3.7
119.01147	7.6
119.01925	100.0
119.03564	5.9
120.02026	5.1
121.03492	23.7
121.35384	3.9
121.47432	3.8
129.04024	6.7
133.03525	8.8
137.02960	57.2
137.73526	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	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03931	2.2
65.03934	7.1
69.20838	0.9
70.03242	2.2
70.03632	2.3
73.73347	1.0
78.04667	1.2
79.05479	6.3
91.05476	100.0
91.17137	1.0
92.04970	1.8
92.05808	2.9
93.07047	4.9
95.04942	6.4
96.05306	1.5
103.05462	11.4
104.06242	12.0
105.04457	1.1
109.06509	2.5
115.05442	5.8
117.07006	28.5
119.04946	2.2
119.06068	1.5
119.08575	61.4
120.08949	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0865
Annotation	L-Valine
Peak:m/z	Relative Intensity
52.77425	0.4
53.03945	1.0
55.05512	20.5
56.05856	0.5
57.05811	2.0
58.06605	4.8
59.05014	0.6
59.07382	4.1
70.06590	1.2
71.59432	0.6
71.59759	0.4
72.04511	2.1
72.08157	100.0
73.08491	1.6
91.05495	1.1
94.69720	0.4
100.02528	0.6
118.08661	9.0
118.09437	0.8
123.30495	0.4
130.57185	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0865
Annotation	Betaine
Peak:m/z	Relative Intensity
51.02396	1.3
51.96151	1.2
53.00296	2.9
53.03745	1.1
53.03945	11.2
55.05507	5.9
56.05032	8.1
56.26367	1.3
57.05800	1.5
57.07076	100.0
57.31745	1.2
58.02956	3.1
58.06595	4.2
58.07405	2.1
58.15900	1.2
58.74834	1.3
59.06120	11.3
59.93106	4.4
60.04533	7.0
60.06458	2.0
60.95857	1.4
62.02454	6.0
65.03930	4.1
67.04245	2.1
68.05044	5.9
70.25445	5.6
70.85205	1.0
72.04514	7.6
72.08136	3.8
74.06069	2.1
76.03976	2.1
76.93371	35.1
77.03913	1.6
79.99242	1.4
82.06573	3.9
83.07365	18.9
85.06507	1.3
87.05578	2.2
91.05482	50.4
94.94407	12.8
95.04971	26.7
100.03961	1.4
100.07615	11.2
105.04516	7.1
112.95445	2.2
117.95965	5.9
118.05047	1.9
118.06535	22.1
118.08652	65.6
118.96776	2.3
119.04917	1.6
119.06084	2.5
119.08498	2.2
135.97031	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	118.0654
Annotation	3H-Indole
Peak:m/z	Relative Intensity
51.02369	3.7
53.03708	1.5
53.03946	24.9
55.01868	1.7
55.05507	1.4
56.05039	6.9
56.96564	3.2
58.02963	7.1
58.06596	5.3
59.06124	22.6
59.93110	9.5
60.04525	12.2
60.05826	2.1
60.06457	4.6
60.95846	2.0
61.02930	1.4
62.06105	1.1
62.31909	1.0
65.03946	5.7
71.57218	1.6
72.04517	15.2
72.06913	1.4
72.08154	5.8
74.06072	2.7
75.05591	4.1
76.03986	2.1
76.93371	52.0
77.03927	5.6
77.93391	1.7
79.05480	2.0
81.03410	3.1
87.05586	3.0
91.05482	100.0
92.05821	1.9
94.72255	1.1
94.94409	25.9
95.04970	60.4
96.05293	1.1
100.03979	2.8
101.07140	2.2
103.05476	1.5
105.04514	10.2
112.95462	8.0
116.05783	2.3
117.05754	3.9
117.07006	1.9
117.95988	5.8
118.06545	76.4
118.96776	4.2
119.04969	3.5
119.06044	4.8
119.06877	2.7
119.08665	8.7
135.96997	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	118.0654
Annotation	3H-Indole
Peak:m/z	Relative Intensity
50.01591	1.6
51.02378	8.6
53.03708	3.0
53.03947	42.7
55.01876	2.1
59.06123	3.9
59.93111	2.4
65.03931	5.9
71.58905	3.2
72.08156	2.2
76.16490	1.3
76.93369	17.8
77.03927	5.4
79.05496	5.9
81.03410	3.6
91.05484	86.7
92.05836	4.3
93.07054	4.0
94.94393	6.0
95.04972	100.0
103.05475	8.1
104.06274	8.8
105.04526	17.6
115.05479	7.5
116.05786	7.5
117.07038	30.7
117.96017	1.7
118.06553	52.9
118.07349	5.4
118.96793	1.5
119.04966	3.2
119.06121	2.9
119.06879	1.9
119.08579	37.5
128.90695	1.4
135.96986	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.01593	1.6
51.02382	7.2
52.02330	0.9
53.03947	47.7
54.04281	1.0
55.01859	3.0
55.05508	7.4
56.05009	1.5
56.96554	3.8
58.02950	1.0
58.06597	8.8
59.06113	4.6
59.07384	5.5
59.93098	1.9
60.04522	2.5
60.95875	1.4
62.59190	1.0
65.03937	8.5
67.05508	0.9
70.06582	3.4
71.32009	1.3
71.32362	2.0
72.04508	4.1
72.07751	1.7
72.08155	32.7
76.93367	15.0
77.03931	8.9
77.93346	1.1
81.03405	4.0
91.05483	35.2
94.94410	3.9
95.04968	100.0
96.05286	2.9
96.69568	1.3
100.02496	1.7
105.04527	19.8
117.95975	0.9
118.03568	1.5
118.06541	55.9
118.08638	9.9
119.01901	1.4
119.03557	1.2
119.04947	2.5
119.06893	2.0
124.20061	1.0
128.51791	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0653
Annotation	4-Ethynylaniline
Peak:m/z	Relative Intensity
53.03941	4.0
55.05507	1.6
59.06112	3.0
60.04506	1.8
69.93617	8.4
72.04486	1.4
72.08144	4.2
76.93365	7.0
91.05482	72.8
94.94395	2.7
95.04970	7.4
117.05751	8.8
118.06544	100.0
119.06104	1.8
119.06865	2.4
123.94615	1.4
133.29933	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
50.01606	1.3
51.02384	6.6
53.03709	2.5
53.03948	41.6
55.01862	5.3
55.05510	15.8
56.05030	3.2
56.96564	24.5
57.03426	1.7
58.06602	38.6
58.35657	1.2
59.04987	4.8
59.06124	7.4
59.06927	1.7
59.07382	18.6
60.04531	6.6
60.05305	1.5
60.06450	3.5
60.95854	8.1
63.26662	1.2
65.03929	7.7
67.05493	4.0
69.03429	16.6
70.06588	6.8
70.40856	2.4
70.41270	4.0
72.08155	67.4
74.06069	2.8
76.07656	3.0
76.93369	3.3
77.00884	1.4
77.03925	8.5
77.07967	1.9
78.52958	2.5
79.05481	1.6
80.02945	1.4
80.05000	1.4
80.06237	1.4
81.03413	5.3
82.01424	2.5
82.06568	6.8
83.00812	1.4
84.08138	1.3
84.75481	1.4
85.02934	1.1
86.09697	1.4
87.04446	1.3
88.07629	1.9
88.09564	1.2
91.05477	31.8
92.01250	4.4
95.04967	100.0
96.01572	1.6
96.05309	3.9
98.97591	2.3
100.02480	20.2
100.07617	5.9
101.01707	3.8
101.07923	1.6
103.02452	4.4
105.04527	19.0
106.05067	2.6
112.07603	5.4
112.54446	2.6
116.05773	3.0
116.98666	2.6
117.95949	1.2
118.03507	22.1
118.06547	58.3
118.08654	41.4
118.10557	2.2
118.11343	1.6
119.01947	6.7
119.03593	2.1
119.04951	4.0
119.06105	1.5
119.06871	2.3
120.03304	1.7
121.03497	4.0
129.03969	1.7
129.23389	1.2
133.03496	3.0
137.02977	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	117.0701
Annotation	INDENE
Peak:m/z	Relative Intensity
53.03938	4.1
56.96558	0.9
59.93095	1.2
65.03942	1.3
70.02394	2.7
70.06580	2.2
71.06930	6.5
72.04527	1.1
72.08151	2.0
74.93813	0.9
75.02167	0.7
76.92920	1.1
76.93371	6.1
91.05480	54.6
92.05814	1.1
94.94390	3.2
95.04971	8.2
98.21411	1.2
105.04498	1.5
112.95456	1.4
115.05453	96.0
116.05719	2.1
116.06328	2.0
117.07014	100.0
117.95940	0.7
118.06541	4.9
118.07359	2.3
130.48531	0.7
135.97015	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0701
Annotation	INDENE
Peak:m/z	Relative Intensity
51.02385	0.5
53.03944	1.8
56.96562	0.7
58.06595	0.4
59.06126	3.1
59.93100	0.7
62.12922	0.3
65.03932	0.7
69.31950	0.3
69.68521	2.3
70.06590	1.0
71.06921	3.1
72.04517	0.3
72.08151	1.0
74.56496	0.3
74.93835	0.5
75.05602	1.1
75.93622	1.5
76.04011	0.3
76.93365	4.6
77.03909	0.3
89.03920	0.4
91.05476	53.0
92.05824	1.9
93.94638	0.5
94.94405	1.9
95.04961	4.0
96.33198	0.3
98.20745	0.3
105.04510	0.6
111.95721	0.4
112.95451	0.6
115.05449	100.0
116.05634	3.7
116.06340	1.3
117.07010	94.6
117.95979	0.8
118.06526	3.0
118.07351	4.1
118.08638	0.5
118.96732	0.3
129.54059	0.3
133.06473	0.5
135.96951	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.4
55.01867	0.4
55.05515	0.2
56.05037	0.9
56.96563	2.8
57.03405	0.2
57.04560	0.2
57.93557	0.9
58.06593	0.3
59.04995	0.3
59.06123	2.8
60.04515	0.4
60.95847	0.4
68.05011	0.8
70.02959	0.5
70.06590	100.0
71.01316	0.2
71.06919	1.7
71.36166	0.3
72.04514	0.4
72.08157	0.4
74.02428	0.6
74.06064	0.5
74.93826	6.0
75.05600	0.6
76.04014	0.2
76.07624	0.4
85.02895	0.2
88.03985	0.3
90.01557	0.3
92.94882	1.8
98.06053	3.7
98.97568	0.9
99.00811	0.7
99.02075	0.4
99.05569	0.2
99.06312	0.2
100.02480	0.2
110.95947	0.4
115.96430	0.5
116.03440	0.3
116.07089	7.2
116.08173	0.5
116.10748	0.4
116.97225	0.4
116.98640	0.9
117.07412	0.2
117.10249	0.4
133.97453	0.4
134.04797	0.2
134.99661	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85917	0.1
53.96962	0.1
55.01867	0.5
55.05514	0.2
56.05031	0.5
56.96567	3.7
57.03432	0.4
57.05811	1.0
58.06598	12.4
58.96139	0.1
59.04997	0.2
59.06121	0.5
59.06921	0.2
68.05029	0.3
69.03436	0.3
69.61895	0.5
69.62328	0.5
70.06592	25.3
71.04997	0.7
71.06921	0.5
72.05635	0.2
72.08150	0.4
74.06068	0.1
75.86700	0.1
76.07636	0.2
78.25922	0.1
83.00821	0.2
83.07355	0.2
88.07631	10.2
90.01582	1.4
92.01263	0.2
95.01315	0.2
97.99114	0.2
98.06064	1.7
98.07152	0.8
98.09691	1.1
98.21540	0.3
98.97575	0.7
99.02069	1.8
100.02431	0.3
100.07619	0.5
101.08410	0.7
102.02203	0.3
104.09815	0.1
110.52872	0.2
116.07104	2.2
116.10730	100.0
116.74041	0.2
116.98583	0.6
117.10321	0.3
117.11079	1.4
118.03506	0.3
119.01878	0.2
120.01973	0.1
121.01687	0.1
134.99660	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05522	0.1
53.28799	0.1
56.85534	0.1
56.96577	0.1
58.06594	0.3
59.04988	0.3
59.06131	0.7
60.86384	0.1
68.05033	0.5
70.06590	100.0
70.99788	0.2
71.00158	0.2
71.06292	0.2
71.06911	1.6
74.02442	0.3
74.93818	0.2
76.07644	0.5
88.03996	0.1
92.94880	0.1
98.06033	0.2
99.00742	0.1
101.46535	0.1
102.02319	0.1
103.76985	0.1
116.07089	6.2
116.10732	0.7
117.07439	0.2
117.10272	0.5
120.02077	0.2
120.03292	0.2
121.01680	0.1
134.02968	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0709
Annotation	L-Proline
Peak:m/z	Relative Intensity
58.06594	0.2
59.06129	0.4
60.67981	0.2
68.05031	0.4
68.08224	0.2
70.06593	100.0
70.64150	0.3
70.64558	0.3
71.06921	1.9
71.07257	0.3
74.02445	0.4
74.06057	0.2
75.81978	0.2
98.06068	0.2
101.96635	0.2
116.07096	5.4
116.10688	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	0.3
58.06595	0.5
59.05011	0.3
59.06126	1.1
68.05039	0.3
70.06592	100.0
71.06924	1.9
71.35183	0.2
71.35538	0.2
72.71221	0.1
74.02441	0.3
74.06091	0.2
76.07651	0.6
76.42715	0.1
88.04021	0.1
88.07678	0.2
98.06068	0.2
98.32407	0.1
99.00850	0.1
99.02116	0.2
116.03475	0.1
116.07094	6.4
116.10723	1.2
116.98670	0.1
117.07402	0.2
117.10266	0.6
117.64946	0.1
119.01933	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	1153.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03411	1.3
89.03919	1.2
91.05486	0.9
95.04968	0.8
102.98537	0.5
103.05508	0.6
105.03404	0.5
107.04933	1.8
109.02879	1.2
110.31409	0.5
111.00800	2.0
111.04433	3.3
112.48889	0.5
115.05462	0.9
119.04949	0.9
121.02863	1.5
123.03569	0.9
123.04422	14.1
127.03916	10.7
129.07002	0.6
131.04890	1.1
135.04422	13.0
137.02339	9.8
137.03333	0.7
139.03908	13.0
139.18018	0.5
140.04167	0.4
141.06967	0.8
143.04871	0.8
145.02834	0.9
145.06474	1.2
147.04428	3.2
149.02344	7.7
149.05972	1.1
151.03911	5.1
153.01836	4.7
155.03389	1.8
155.04875	0.9
157.06474	1.6
159.04416	0.7
161.05954	1.5
163.03906	15.0
165.01834	0.5
165.05460	0.7
167.03455	1.1
169.06503	0.9
171.04370	0.8
173.05974	2.2
175.03908	2.6
177.01846	0.6
177.05444	2.2
179.03406	3.0
183.04338	0.9
185.06007	1.8
187.03900	2.7
189.05457	1.4
191.03409	1.5
193.05084	0.9
197.06000	1.9
199.03896	1.8
201.05476	2.8
203.03403	5.5
203.07062	1.0
205.04936	1.2
213.05464	4.4
215.03429	0.7
215.07031	1.1
217.04932	1.2
221.04384	0.6
223.07713	0.5
225.05492	1.6
227.03334	1.5
229.05009	4.2
231.03023	0.7
231.06540	8.1
233.04382	0.5
237.05475	0.6
239.06870	0.5
241.04922	2.2
243.03183	0.5
243.06580	0.9
245.04430	5.8
247.06024	22.3
249.05673	0.5
253.04951	1.6
255.06526	1.4
257.04446	9.7
258.05228	2.2
259.06033	9.4
261.07678	0.6
265.05084	0.7
267.06393	0.6
269.04459	4.1
271.06039	8.1
272.06293	0.6
273.04041	1.0
273.07428	1.1
275.05515	1.2
281.04425	1.7
282.05322	0.7
283.03088	0.7
283.06027	4.5
285.03995	2.0
286.04639	0.6
287.05493	100.0
288.05829	2.9
289.07111	7.2
293.04251	0.8
295.05978	1.2
297.04007	1.2
299.05518	5.3
301.07019	5.3
303.05194	1.1
303.08646	0.7
307.05997	1.0
309.04175	0.7
309.07611	0.6
311.05484	2.1
313.07147	1.1
321.07651	0.6
323.05469	1.1
327.04935	1.3
329.06714	0.6
337.06961	0.8
345.07541	0.6
351.04800	0.8
361.06982	1.6
365.06573	1.1
373.07178	1.4
377.06619	2.0
379.08212	2.6
385.06906	0.6
389.06668	2.7
391.08163	1.7
393.06100	1.6
395.07538	1.5
397.37344	0.6
401.06662	0.6
403.08209	1.0
405.05905	2.7
407.07675	6.1
409.09158	5.0
411.10852	2.9
413.08713	2.4
417.05768	1.0
419.07495	2.3
421.09589	1.2
425.08649	5.3
431.07642	2.2
433.09290	0.8
435.07141	2.1
437.08536	1.5
447.07135	1.5
449.08859	4.9
451.10178	1.1
527.09290	0.9
531.08984	0.6
533.10791	12.8
539.09680	1.3
541.11365	0.6
543.09143	3.1
555.08862	0.8
557.10730	4.6
559.12433	1.4
561.10309	1.3
569.10626	2.1
573.09955	1.3
575.11768	7.8
585.10004	1.4
587.11786	2.4
599.11993	0.8
617.12714	1.2
669.12085	0.8
675.10498	1.1
677.12720	1.1
693.12286	4.0
695.13959	12.5
705.12866	0.6
711.13269	4.6
713.14941	8.5
737.14606	0.6
739.16290	0.9
755.15674	1.1
813.14587	0.8
821.16290	1.2
831.14856	2.1
887.66455	0.5
926.33289	0.6
983.19208	1.8
1167.00867	0.6
1176.41064	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
54.03476	1.2
55.01877	2.1
55.03016	0.7
55.05510	1.5
55.93521	1.5
56.03776	0.7
56.05033	1.0
56.96566	96.6
57.03434	4.2
57.04565	2.2
58.02959	1.7
58.06599	1.2
58.99613	0.4
58.99872	1.9
59.03748	1.0
59.05005	0.6
59.52207	0.5
60.04526	1.5
65.03954	0.9
67.02995	4.8
67.05499	0.9
68.02636	0.5
68.05029	1.5
69.03436	3.2
69.04549	1.9
69.07069	3.3
70.02946	0.5
70.06590	1.2
70.23808	1.3
70.24217	0.9
70.99839	0.5
71.06116	0.7
71.94104	1.3
71.95271	1.4
72.04517	63.0
72.08165	2.2
72.93789	100.0
73.02919	0.8
73.04042	1.1
73.04891	0.8
73.93835	1.7
74.04823	26.7
74.06075	0.9
74.97616	1.6
77.00905	2.8
78.01005	0.5
78.04705	0.5
78.52969	0.8
79.05499	4.5
81.03423	1.0
81.04523	0.7
82.01421	0.9
82.02678	0.6
82.05314	0.6
83.97639	1.3
84.05656	0.8
85.02905	1.0
86.06066	1.8
86.52683	0.6
87.05601	4.3
88.02679	1.7
89.01743	0.5
90.94828	35.8
91.05464	0.7
91.54286	0.6
95.01952	1.3
95.04943	0.8
96.05616	1.9
96.08136	1.9
97.01756	0.5
97.02863	0.6
97.04028	1.3
97.06466	1.6
97.07658	0.9
98.97560	0.5
100.02491	8.1
100.52428	0.9
101.00881	1.1
101.02581	0.9
101.98672	0.6
102.02315	1.0
103.02450	1.1
105.00372	1.3
105.03381	0.6
108.10563	0.4
108.95863	14.3
111.02940	2.9
112.05587	0.6
113.96391	5.6
113.98579	0.6
114.01103	0.4
114.02740	0.5
114.04000	3.5
114.05539	1.3
114.06658	8.5
114.09167	16.6
114.10275	1.9
115.01168	0.7
115.02441	1.3
115.05025	0.7
116.98535	0.5
118.01175	0.8
118.03521	8.3
119.01924	9.2
119.03623	1.1
119.99689	0.9
120.02007	1.1
120.03301	1.3
121.01649	1.4
121.02811	3.9
121.03626	0.6
123.01453	0.5
126.04020	0.5
126.96941	0.5
131.01927	7.6
131.97443	6.9
131.99666	2.5
132.05067	83.9
133.03548	2.6
133.05305	4.1
134.99567	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.06
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
53.00306	1.2
53.03951	1.3
54.03468	2.9
55.01867	1.3
55.05507	9.4
55.93500	1.4
56.05035	2.3
57.03436	2.9
57.07076	87.5
58.06609	2.4
65.03931	9.0
67.01860	2.4
67.03000	1.3
67.05505	100.0
68.05030	4.8
68.05834	1.5
69.07060	3.3
70.02943	3.0
70.06604	8.6
71.04992	15.7
71.06120	1.8
71.94096	10.3
72.04527	1.4
72.08164	2.5
72.93790	69.5
73.05332	1.1
74.04821	5.2
77.57965	1.0
79.05496	1.7
83.06108	2.5
85.06540	26.9
85.07023	2.2
85.07644	2.3
86.06060	1.5
90.94828	19.7
95.01324	1.8
95.04970	27.0
95.06078	3.1
96.00856	2.1
96.04498	2.7
96.08136	6.3
96.80219	1.1
98.21526	2.7
100.61346	1.2
108.39137	1.0
108.95848	5.4
113.02354	23.0
113.03487	3.3
113.05997	10.4
113.07146	6.2
113.10767	3.8
113.96434	3.9
114.06634	1.9
114.09171	5.2
121.11312	1.2
131.97426	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	1125.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
78.10802	0.2
89.89399	0.2
98.21533	0.4
130.05661	0.2
243.95517	0.2
258.42630	0.2
298.96323	0.2
384.89691	0.2
388.04425	0.3
396.12286	0.5
397.12991	1.0
398.13791	0.5
399.14645	0.3
407.11331	0.2
409.13092	0.5
410.13574	1.3
411.14474	3.1
412.15387	2.2
413.16080	1.6
423.14563	0.9
424.11151	0.8
424.16293	1.6
425.16263	7.2
426.16904	4.4
427.17667	1.2
428.18594	1.1
437.16241	0.5
438.13165	1.7
438.17545	0.7
439.13531	10.3
440.13541	0.6
440.19144	3.4
441.19278	26.6
442.19806	1.7
451.13123	0.3
451.18301	0.5
452.14072	1.8
453.15305	12.5
454.15912	3.5
455.21310	0.5
457.15186	0.9
459.20197	0.4
463.13968	0.4
465.15656	0.5
466.12985	0.2
466.16205	0.4
467.17145	20.9
468.17880	10.1
469.18887	9.5
470.18826	0.7
471.16849	0.8
472.17166	0.6
479.17654	0.3
480.16599	0.7
481.14771	11.4
482.15335	2.5
483.15958	0.3
485.18011	0.9
486.18933	0.5
487.19925	0.4
494.18286	0.4
495.15933	3.5
496.17154	8.3
497.18076	2.1
498.18716	0.7
499.15976	0.9
499.21143	0.3
500.20566	0.5
508.19852	0.6
509.18268	2.2
510.20166	0.4
512.20630	0.9
513.17224	0.4
514.22461	2.8
522.17834	0.5
523.19617	1.4
527.23499	2.6
536.18903	0.4
537.19116	0.3
539.19299	0.3
540.20294	0.5
541.20520	0.4
542.21552	1.1
545.23560	0.5
554.20691	0.3
555.22382	25.3
556.22656	1.3
568.19446	0.4
573.23102	0.5
583.21875	77.7
584.22180	4.5
586.20654	0.6
587.25305	1.8
600.22290	0.3
611.21179	1.9
614.23517	0.8
615.24463	7.3
616.24780	0.5
642.23071	2.9
643.23938	100.0
644.24139	4.3
717.22791	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	112.0509
Annotation	cytosine
Peak:m/z	Relative Intensity
52.01894	0.8
53.03939	1.3
54.03459	0.7
54.93812	0.3
55.01880	2.3
55.05502	1.4
55.93520	0.9
56.05029	2.9
56.05833	0.5
56.96565	32.0
57.03421	1.2
57.07058	0.3
58.06585	0.6
58.99873	0.3
59.52186	0.4
60.95862	0.4
66.07656	0.3
67.01858	0.6
67.02991	2.1
67.05502	2.0
68.01382	2.1
68.02637	1.0
68.05029	3.0
68.99786	0.7
69.03437	5.1
69.04551	13.7
69.07066	0.6
70.02947	3.5
70.06591	5.3
70.94260	5.0
70.95861	2.0
70.98103	1.1
71.01364	0.5
71.02474	0.8
71.04990	1.0
71.06115	0.7
71.06934	0.7
71.56785	0.4
71.57206	0.3
71.94100	25.7
71.95254	5.4
72.04504	0.8
73.05290	0.4
74.06078	0.6
74.97614	1.2
75.01039	0.8
75.04472	0.3
75.53510	0.4
77.00870	0.4
80.05021	0.3
80.58523	0.4
81.03417	2.8
81.04520	0.5
82.01415	0.4
82.06569	0.9
83.01327	0.5
83.04971	0.6
83.06097	0.8
84.01565	1.2
84.04508	2.1
84.08138	3.8
84.95998	0.4
85.02891	0.9
85.07626	0.3
86.06078	0.5
88.95296	1.4
88.96903	0.7
88.99143	0.7
89.00776	0.5
89.95129	2.3
90.51320	0.8
91.02367	0.4
93.03391	0.3
94.04051	6.8
94.06567	1.0
95.01330	2.9
95.02451	40.2
95.04980	0.5
95.06087	8.8
95.28723	0.3
96.00859	1.7
96.01463	0.6
96.02782	0.4
96.04488	0.6
96.08121	0.4
97.02871	0.5
97.07684	0.4
97.52093	0.5
97.96767	0.6
98.01277	1.0
98.97580	0.3
99.04456	0.8
99.51830	0.8
100.02470	2.7
102.02212	0.4
104.01303	0.4
104.02090	0.4
106.96360	0.4
107.00142	0.7
107.96188	0.4
109.02873	0.7
110.01301	0.4
111.50684	0.4
112.05087	100.0
112.07600	6.2
112.08787	1.7
112.09546	1.2
112.11218	2.7
112.96706	0.6
113.02377	4.4
113.03493	3.5
113.04755	0.3
113.05373	1.6
113.06107	0.5
113.07137	1.1
113.10812	0.4
115.02456	0.3
115.97827	0.6
116.98636	0.5
118.01103	0.7
118.03495	3.1
119.01913	0.9
119.03639	0.5
119.53363	1.5
128.53920	0.6
128.98593	0.7
130.97849	0.3
131.00145	0.8
131.01860	0.8
132.05072	0.6
133.98912	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	110.9757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.8
52.31400	0.9
53.03744	0.7
53.03944	9.7
54.03469	1.6
55.01871	7.9
55.02977	1.2
55.05260	1.2
55.05510	16.2
56.05037	5.3
56.96565	83.1
57.03425	2.0
58.06580	0.8
58.99860	1.8
59.52179	3.2
60.89277	0.7
65.02589	0.9
65.03937	8.9
65.52187	1.7
66.52974	1.7
67.01878	0.7
67.05499	5.8
68.02650	14.1
68.05030	7.0
68.52725	1.1
68.99763	2.5
69.03427	13.4
69.04537	3.2
69.07070	4.5
69.32265	8.3
70.06592	74.0
70.94259	5.2
70.98101	1.7
71.01331	0.9
71.02998	1.0
71.04997	1.2
71.07356	2.4
71.95267	11.4
72.59717	0.7
72.96051	1.0
73.02901	1.1
74.52683	1.4
74.97604	2.2
75.53491	1.2
77.00910	4.5
79.51907	2.8
80.05009	0.8
81.03416	38.7
81.04517	1.3
82.01436	2.2
82.03768	0.9
82.05321	7.6
82.06567	7.3
83.01324	1.1
83.04978	10.8
83.06102	9.1
83.06898	1.4
83.07355	2.1
83.50518	1.0
84.01616	1.0
84.04487	2.9
84.08149	6.5
84.96017	1.7
85.02891	2.9
87.02477	1.0
88.95292	2.7
88.99142	1.4
89.55719	0.7
90.52976	1.5
91.05464	1.4
93.01903	1.6
93.03402	1.4
93.04478	0.9
93.05798	0.9
93.07034	2.4
94.04050	1.3
94.06563	11.9
95.01308	2.3
95.01927	2.4
95.02450	4.4
95.03426	0.9
95.04977	1.9
95.06078	1.7
96.06871	6.8
96.53102	1.5
97.00988	0.9
97.99185	1.0
98.97647	0.8
99.53442	1.0
100.00098	1.8
100.02483	27.3
100.05222	0.9
101.02583	1.9
106.01711	0.9
107.00205	1.5
109.02850	2.2
110.97572	2.3
111.00793	2.5
111.04439	25.7
111.05559	14.1
111.06296	2.1
111.08032	3.2
111.09199	100.0
111.96818	1.0
112.03928	1.5
112.05083	10.4
112.07623	9.1
115.01166	1.2
116.98659	1.4
118.01144	10.7
118.03524	28.2
119.01928	3.2
119.03642	1.8
120.03255	1.2
123.04044	0.9
124.02734	1.1
128.98615	9.0
129.03998	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	1091.563
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05485	8.3
80.17622	0.5
81.03439	2.3
81.07051	22.6
81.07514	1.3
82.32020	0.6
83.04973	14.6
83.05443	1.0
83.08620	5.2
85.02900	73.9
85.06551	0.7
87.04481	1.5
91.03957	5.5
91.05471	9.3
91.05998	0.7
91.66756	0.6
93.07037	19.0
93.07628	1.0
95.01323	17.3
95.04957	3.3
95.08600	45.3
95.53057	0.6
97.02883	20.9
97.06549	1.7
97.10139	3.2
98.21502	0.6
99.00838	2.1
99.04489	1.8
99.08099	1.5
101.02395	1.3
101.06026	0.8
103.03945	3.1
105.07023	19.9
107.04993	1.1
107.08585	31.7
109.02891	1.7
109.06549	2.3
109.10149	31.2
111.04432	10.7
111.08085	8.4
111.11739	1.0
113.02367	3.3
113.06024	0.8
113.09678	1.0
115.03919	9.2
115.05422	0.9
117.07009	3.0
119.08572	27.7
121.06523	2.2
121.10141	26.7
122.40275	0.6
123.08120	1.1
123.11687	11.6
125.09599	2.8
127.03910	6.2
129.05469	20.2
129.06972	1.2
130.07751	0.9
131.03448	1.3
131.08563	9.1
131.09500	0.7
133.04971	2.8
133.10129	26.2
135.04430	1.0
135.11685	20.0
137.02319	0.6
137.06010	0.8
137.09644	2.0
137.13223	3.9
139.03912	2.2
139.11195	3.9
141.01822	49.3
141.06932	0.6
142.07782	1.7
143.08528	4.4
144.09361	1.1
145.04955	6.5
145.10110	20.2
147.06508	8.7
147.11676	20.6
149.09641	1.8
149.13246	22.9
151.03943	0.6
151.11206	3.3
151.14783	1.7
153.05432	0.7
153.12737	0.9
155.08600	1.8
156.09375	1.0
157.05003	0.9
157.10121	9.6
158.10950	0.6
159.02878	8.4
159.11682	23.8
161.09683	1.2
161.13246	17.3
163.06006	11.1
163.11212	2.1
163.14818	8.6
165.01900	0.8
165.07542	1.5
165.12798	2.5
165.16324	0.7
169.05037	0.9
169.10149	2.7
170.10938	0.9
171.06465	1.3
171.11676	7.2
173.13248	12.9
173.14673	0.9
175.11172	0.7
175.14824	13.6
175.16258	0.9
177.03941	1.8
177.05432	0.8
177.12787	1.4
177.16370	10.5
179.14401	1.0
181.10057	0.6
183.02943	0.9
183.11623	4.0
185.13266	9.1
186.13989	0.7
187.11145	0.7
187.14809	11.1
189.12805	0.7
189.16376	14.3
189.18085	0.8
191.14326	1.7
191.17912	5.5
193.15831	2.8
195.11714	1.1
195.17474	1.6
197.13258	3.8
199.06012	0.8
199.14789	9.4
201.16357	23.1
203.14336	1.1
203.17941	13.2
205.15848	8.7
205.19516	1.4
207.17433	5.1
209.13278	1.4
211.14821	3.2
213.16360	6.6
215.17932	13.4
217.15918	4.3
217.19469	6.0
219.17418	10.5
219.21049	0.9
221.19028	2.9
223.14836	1.8
223.16835	0.7
225.07617	1.5
225.16289	4.1
227.17917	6.2
229.15988	0.9
229.19466	3.6
231.17496	3.6
231.21117	1.5
233.18962	6.9
235.14893	0.7
235.20735	0.7
237.16379	0.9
237.18518	1.2
239.18005	3.2
241.19496	4.6
243.08734	1.7
243.17429	1.4
243.21150	2.7
245.18973	8.5
247.20551	1.2
251.18039	0.9
253.19585	3.6
255.08675	1.6
255.21033	4.1
257.19034	0.9
257.22617	1.6
259.20569	3.0
263.20111	2.4
265.19498	1.6
267.21075	3.4
269.06564	0.7
269.19064	1.7
269.22577	2.1
271.20618	2.5
271.24292	0.7
273.06223	0.9
273.09576	1.3
273.22058	3.0
275.20200	0.7
279.10706	3.7
279.21234	0.8
281.22598	2.0
283.20493	1.6
283.23853	0.9
285.22171	2.8
287.07672	1.6
287.20166	1.1
291.07037	0.9
291.23349	0.8
295.24219	1.8
297.22171	0.7
297.25385	0.7
299.23706	1.5
305.08719	5.9
309.11823	2.7
309.22290	1.0
309.25711	1.2
311.23724	1.1
313.25250	3.4
321.08157	0.9
323.09784	1.4
327.26718	1.9
331.26447	0.9
335.27316	1.7
337.29025	0.9
339.09171	1.7
339.26788	1.1
341.28354	1.0
351.26834	0.8
353.28384	1.8
361.29034	0.6
363.30362	4.2
365.19559	0.7
365.31976	0.8
379.30038	1.2
381.31500	13.4
391.33685	1.0
393.35144	1.3
399.32608	1.8
403.33585	12.9
405.35190	1.6
409.34549	5.8
411.36188	1.9
419.32971	0.9
421.34631	96.6
422.34863	2.5
423.36221	9.4
437.34244	1.3
439.35690	100.0
440.36020	5.1
457.36737	26.9
458.36768	1.3
517.36670	1.3
535.37933	2.8
553.38849	6.3
567.40369	0.8
571.39984	7.1
579.36688	5.4
589.40778	1.1
597.37842	10.6
598.38129	0.7
615.38867	7.1
633.39886	1.2
759.28571	2.0
1015.95233	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.8
53.00317	0.9
53.03948	10.4
54.03448	0.5
55.01876	1.1
55.05515	11.7
55.05790	0.7
56.05036	0.8
64.06122	0.4
65.03939	7.5
66.04730	0.6
67.04280	1.2
67.05505	100.0
68.05034	6.0
68.05838	2.1
68.95278	0.5
69.04561	2.3
69.07068	6.7
70.71063	1.1
79.05494	16.6
80.05004	1.0
80.05830	0.8
80.06277	1.2
80.67864	0.4
81.03417	16.3
81.07056	38.6
82.02946	0.6
82.03751	0.7
82.06577	6.2
82.07376	0.9
82.52479	0.4
83.06104	1.1
87.00451	0.6
91.05487	3.3
92.04998	1.2
93.04533	0.6
94.04205	2.6
94.07832	1.9
95.04984	1.1
107.08593	3.7
109.02874	2.2
109.06530	9.9
109.07651	11.2
109.08446	0.9
109.10157	32.1
110.06055	4.6
110.07172	12.1
110.10474	1.4
113.96372	0.5
127.19656	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03946	3.6
55.05511	12.0
65.03950	5.7
67.05504	100.0
67.41239	0.6
68.05080	0.6
68.05833	1.8
69.07070	6.1
69.34621	0.6
70.15172	3.3
79.05492	12.5
80.06269	2.0
81.03426	2.3
81.07055	30.2
82.06602	0.6
82.07410	1.0
85.35294	0.5
91.05472	1.9
94.07816	1.2
101.77999	0.6
102.29969	0.6
107.08616	3.4
107.09208	0.6
109.06513	3.2
109.07636	0.8
109.10155	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	109.0652
Annotation	o-Cresol
Peak:m/z	Relative Intensity
50.01587	0.5
51.02380	0.7
51.70760	0.4
53.00307	1.1
53.03946	20.5
55.01870	8.5
55.05511	9.5
56.96548	0.9
65.03940	10.8
66.04732	2.1
67.04254	1.5
67.05502	82.0
67.93581	1.1
68.05025	5.4
68.05829	1.1
68.95270	0.7
69.04554	2.7
69.07065	5.4
70.11211	2.3
79.05491	59.6
80.05042	1.0
80.05826	1.1
80.06271	1.1
81.03416	23.8
81.07055	60.4
82.06570	4.7
82.07403	1.3
83.06087	0.9
86.25417	0.5
87.85402	0.4
89.51476	0.5
91.05479	17.1
92.04996	1.3
93.04568	0.7
94.04188	7.7
94.07829	1.5
95.04970	2.9
96.24349	0.4
107.04961	2.2
107.08601	2.9
109.02886	4.6
109.06515	100.0
109.07610	11.4
109.10152	26.3
110.06043	5.7
110.07148	11.0
110.10494	1.2
111.04453	0.7
128.74481	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0286
Annotation	o-Benzoquinone
Peak:m/z	Relative Intensity
50.01604	1.4
51.02374	3.0
52.34817	0.7
52.99231	0.7
53.03946	70.4
54.03465	0.8
54.04272	1.8
55.01867	4.0
55.05511	7.6
56.05027	1.2
56.96569	0.7
65.03937	5.5
66.03452	0.7
67.04253	1.1
67.05502	50.5
67.93555	1.7
68.05027	10.4
68.95274	1.5
69.04531	4.1
69.07067	3.5
69.71761	2.6
69.72169	1.4
79.05495	9.8
80.04999	1.6
80.06255	0.7
81.03416	100.0
81.07054	19.1
82.03753	2.3
82.06576	7.9
83.06100	1.4
87.00423	0.9
91.05478	1.8
92.05006	1.7
93.04494	0.9
94.04184	2.7
95.05004	1.3
98.20844	1.5
101.54662	0.6
107.04964	0.9
107.08591	2.0
109.02881	28.2
109.06538	5.7
109.07644	19.8
109.08392	1.1
109.10155	15.1
110.03649	2.8
110.06054	9.8
110.07159	15.4
110.07880	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0651
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02370	1.7
53.00305	1.4
53.03947	28.7
53.60223	0.9
54.03472	1.8
54.04261	1.1
55.01876	4.4
55.05264	1.3
55.05511	15.7
56.05018	1.6
62.33644	0.8
63.34683	0.7
65.03612	1.1
65.03941	20.0
66.04704	1.2
67.04263	4.6
67.05505	100.0
67.93565	1.0
68.05025	28.5
68.05822	1.9
69.03442	2.1
69.04557	2.6
69.05803	1.7
69.07070	6.2
71.57470	1.0
72.60518	0.9
79.05492	45.3
80.05013	2.7
80.05818	1.2
80.06270	1.5
81.03417	41.8
81.07055	63.7
82.06115	1.5
82.06577	21.7
82.07355	2.0
91.05475	19.7
92.04984	4.2
93.04517	1.1
94.04188	20.5
94.05182	1.0
94.07855	1.2
95.04965	2.7
107.04954	6.6
107.08601	2.1
109.02876	8.6
109.06512	63.6
109.07635	43.1
109.10152	34.0
110.06048	7.7
110.07196	7.3
111.04434	1.8
121.04017	1.0
122.68431	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.5522
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04461	2.5
79.05476	5.9
81.03411	1.5
81.07055	17.9
83.01254	0.8
83.04974	1.3
83.08199	0.6
83.08595	3.9
84.05321	0.7
85.02900	45.4
91.03955	3.3
91.05478	7.2
93.07035	12.7
95.01328	9.9
95.04970	0.8
95.08604	38.0
96.08902	1.1
97.02280	1.1
97.02889	11.5
97.10165	2.1
99.00774	1.0
99.04451	2.0
101.02374	21.2
103.03930	1.6
105.07030	18.7
105.89946	0.9
107.07865	1.3
107.08595	25.7
108.08865	0.8
109.02851	2.5
109.06519	1.2
109.10150	26.6
111.04433	1.5
111.08069	4.5
111.11713	1.4
113.02380	1.9
117.06999	1.2
119.08577	20.4
121.10142	21.7
123.08009	1.0
123.11690	11.6
125.09629	0.9
127.03915	53.4
129.05476	1.9
129.06999	1.1
131.03331	0.7
131.08557	6.0
133.10130	22.9
135.11700	13.4
137.13251	3.2
139.11160	1.1
141.01823	34.6
143.08553	2.6
145.04956	63.9
145.10117	11.7
146.05330	1.2
146.10590	1.1
147.06500	1.1
147.11684	16.6
149.13254	11.9
151.14915	0.9
155.08554	1.0
157.10144	4.3
157.92308	0.7
159.02887	5.8
159.11681	13.3
159.76469	0.6
161.13255	16.5
163.06027	11.0
163.14815	8.0
165.12746	1.4
165.99617	0.7
171.11696	2.7
172.98692	0.6
173.13257	10.3
175.14827	14.0
176.15355	0.9
177.03931	1.7
177.12854	0.8
177.16393	14.0
179.17946	2.1
183.11687	0.9
185.13258	3.1
187.14824	7.8
189.12750	0.8
189.16370	12.9
191.17918	6.9
193.15907	1.7
197.13455	0.7
199.14783	3.3
201.16376	20.9
202.16805	0.9
203.14746	0.7
203.17963	19.6
205.15860	5.4
205.19490	4.6
207.17456	2.8
211.14914	1.1
213.16357	3.2
215.17935	9.4
217.15868	2.5
217.19492	20.5
219.17357	3.5
219.21031	1.7
225.16389	1.4
227.17870	4.9
229.19522	7.8
229.28029	0.9
231.17517	1.0
231.21095	2.6
233.18918	1.0
235.20659	1.0
241.19528	3.6
243.21048	4.3
245.19044	2.8
245.22708	0.8
253.19490	1.4
255.21150	4.4
257.22620	3.5
259.20651	1.2
261.22314	1.0
267.21088	2.1
269.22653	6.0
271.24225	1.5
281.22522	1.8
283.24207	2.4
285.21991	1.3
295.24295	2.5
297.25763	2.0
311.27280	1.4
313.25317	2.0
321.08179	2.7
321.25656	0.9
325.11292	1.2
365.31970	7.5
393.35303	1.8
394.35150	0.7
403.33633	1.1
405.29745	1.5
405.35153	27.3
406.35623	0.9
421.34570	9.2
422.34995	6.2
423.36206	100.0
424.36444	2.9
439.35822	2.8
440.36234	1.3
441.37222	2.4
566.39081	1.1
567.40198	1.7
581.38385	13.2
599.39337	7.8
869.83093	0.8
972.83990	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1077.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
74.67909	0.3
80.86677	0.3
99.53513	0.3
104.57626	0.3
126.74291	0.3
153.62123	0.3
178.74722	0.4
236.77556	0.3
396.12238	0.5
397.12970	0.8
398.13782	0.5
410.13696	1.4
411.14514	3.1
412.15564	2.8
413.16064	1.6
423.14478	1.0
424.10883	0.8
424.15451	1.2
425.16281	7.8
426.16940	5.9
427.17374	1.1
428.18387	1.4
437.16714	0.5
438.13196	1.6
439.13589	10.7
440.18985	3.9
441.19263	25.7
442.19458	1.4
451.13458	0.5
452.13934	1.7
453.15274	11.5
454.15851	3.1
457.15109	0.8
458.15723	0.6
463.13654	0.4
465.15387	0.4
466.12372	0.4
467.17169	19.7
468.17935	10.4
469.18832	9.2
470.19315	0.6
471.16724	0.8
472.17691	0.7
478.16629	0.4
480.17627	0.5
481.14731	10.7
482.15244	2.4
485.18359	1.3
494.16727	0.5
495.16113	3.3
496.17218	9.4
497.18167	2.4
498.19403	0.5
499.16132	0.6
508.19568	0.8
509.18558	2.0
512.20758	0.6
514.22321	3.2
522.18439	0.5
523.19952	1.3
527.23267	2.8
539.19427	0.4
540.20129	0.5
541.21161	0.4
542.21704	0.7
545.24005	0.7
551.19763	0.5
555.22388	26.0
556.22644	1.6
568.19421	0.6
573.23322	0.4
582.21405	0.4
583.21887	77.4
584.22137	4.8
586.20551	0.5
587.25403	1.6
611.21259	1.5
614.23657	1.0
615.24591	7.8
642.23175	2.1
643.23956	100.0
644.24133	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	1075.5686
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04467	1.7
79.05500	4.4
81.03412	1.6
81.07056	12.4
83.04985	9.4
83.08602	3.0
85.02904	44.3
87.04472	0.7
91.03933	1.7
91.05485	5.0
93.07051	10.7
95.01328	10.2
95.04958	1.4
95.08607	32.1
97.02891	9.8
97.10177	1.9
99.00793	0.9
99.04458	1.2
101.02399	0.7
101.06000	0.7
103.03929	2.3
105.07023	12.1
106.04777	0.5
107.08590	19.7
109.02875	1.2
109.06487	0.7
109.10157	19.6
110.10384	0.5
111.04436	8.0
111.08076	4.7
111.11732	1.5
113.02377	2.4
113.89416	0.5
115.03934	5.1
117.07020	1.2
119.08584	15.5
121.10141	16.8
123.00861	0.6
123.08109	0.7
123.11698	7.6
127.03914	4.2
129.05481	13.0
131.03433	0.6
131.08568	5.4
133.04951	3.7
133.09123	0.8
133.10124	15.9
133.11081	0.8
135.11696	12.9
137.05962	1.1
137.09595	0.6
137.13300	2.6
139.03847	0.7
139.11208	1.7
141.01831	28.2
142.07852	0.5
143.08537	2.4
145.04967	4.8
145.10117	8.6
147.06511	7.6
147.10518	0.7
147.11684	11.8
149.13261	8.5
151.11224	0.6
157.10143	3.0
159.02879	5.9
159.11702	10.0
161.13258	10.6
163.06036	4.0
163.11191	0.6
163.14827	7.6
165.07629	0.9
165.12766	0.9
169.04936	0.6
169.10106	0.8
171.11658	2.4
173.13257	7.4
175.14818	9.0
175.82912	0.6
177.03944	1.5
177.12694	0.5
177.16386	9.4
179.17924	1.1
183.02899	0.6
183.11708	0.7
185.13289	2.3
187.14824	8.3
189.16374	10.4
191.14236	0.9
191.17943	4.5
193.15819	0.7
195.17465	1.1
197.13293	1.0
199.14766	2.9
201.16379	13.2
203.17960	16.5
205.15866	4.0
205.19421	2.5
207.06554	0.8
207.17404	2.9
211.14810	1.2
213.16470	3.1
215.17961	7.2
217.07071	0.6
217.16052	2.4
217.19510	9.7
219.17523	3.2
221.19005	1.1
225.07651	1.1
225.16414	1.4
227.17938	4.4
229.19513	7.6
229.52811	0.6
231.17354	0.6
231.21100	1.3
233.18983	1.8
235.20563	0.8
239.18025	1.2
241.19511	3.3
243.08771	0.9
243.21062	5.4
245.19026	1.3
245.22861	0.6
247.20615	1.7
253.19585	1.6
255.08609	1.4
255.21120	3.1
257.22684	3.2
259.08051	0.8
259.20575	1.4
261.22040	0.7
267.21060	1.6
269.06561	0.6
269.22653	4.6
271.20486	0.8
271.24161	1.0
273.06128	0.7
273.09644	1.3
273.22174	0.6
279.10736	1.5
281.22751	1.2
283.24237	2.0
285.22208	1.0
287.07660	2.3
287.23657	0.6
295.24213	2.1
297.25787	1.7
305.08670	5.3
309.08527	0.9
309.11911	2.2
311.27225	0.9
313.25342	1.4
315.26474	0.8
321.08173	1.5
323.09677	1.0
365.19431	0.5
365.32098	6.7
383.32971	1.1
393.35251	0.7
403.33688	1.0
405.35168	20.2
421.34537	0.9
423.36206	100.0
424.36478	2.1
441.37265	17.7
450.69775	0.7
537.39862	1.0
555.40247	1.3
581.38293	10.0
599.39325	10.2
1067.63232	0.7
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
51.02372	0.8
51.29097	0.3
53.03949	5.6
55.01883	0.9
55.05481	0.4
65.03938	17.2
66.03451	0.4
67.04240	1.7
67.05503	3.6
71.03650	0.7
71.03988	0.6
74.28197	0.4
77.03921	0.7
79.05494	31.0
80.05017	5.5
80.05809	0.5
81.03410	0.7
82.13647	0.4
91.05479	100.0
92.05753	1.8
92.06301	3.3
93.05790	0.9
95.04964	11.4
99.42175	0.3
103.05466	0.9
105.04510	2.6
105.07030	25.9
106.06557	1.7
106.07314	0.7
107.04956	22.3
107.05994	2.0
107.07399	0.8
107.08593	20.3
108.04471	1.0
108.05510	0.6
108.08131	1.9
108.08828	0.5
109.06520	14.0
119.06062	4.6
124.05183	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1074.5886
Annotation	Unknow
Peak:m/z	Relative Intensity
76.73221	0.5
79.05484	4.6
81.07059	14.9
83.08617	4.5
86.09685	0.5
91.05484	2.6
93.07053	4.3
95.08610	13.3
96.78831	0.4
97.06509	1.3
97.10178	2.9
99.08119	0.4
105.07017	1.9
107.08556	2.5
109.10159	4.6
111.11726	0.8
119.08587	1.2
121.10126	1.9
123.11710	1.3
124.01562	0.5
133.10138	1.8
135.11679	1.4
147.11650	1.2
151.14978	0.5
161.13290	1.0
164.87013	0.5
175.14810	0.5
198.05202	0.9
216.06310	0.6
242.71152	0.5
263.23557	0.9
298.44977	0.5
306.27933	2.1
335.88956	0.5
337.27365	100.0
338.27649	3.3
421.28754	0.6
478.29282	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	107.0858
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02381	1.5
53.03947	10.9
55.01869	2.5
55.05487	0.4
63.02371	0.4
64.41478	0.3
65.03942	17.3
67.04251	0.8
67.05505	4.3
68.96166	0.3
68.99423	0.3
69.71434	2.0
72.28896	0.3
73.85027	0.3
75.26891	0.3
77.03917	1.7
78.04698	0.3
79.05492	41.1
80.05023	3.1
80.05826	0.9
81.03411	1.8
91.05480	100.0
92.05798	1.2
92.06292	2.8
93.05759	0.5
95.04967	25.0
96.05319	0.4
103.05457	1.0
105.04527	4.9
105.07030	24.8
106.06543	1.1
106.07346	0.7
107.04952	55.0
107.06104	1.8
107.08591	22.8
108.04550	0.4
108.05303	1.1
108.08125	0.9
108.08843	0.5
109.06512	13.0
110.06860	0.5
110.25073	0.3
119.06057	4.4
124.05225	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0494
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01604	0.5
51.02380	1.7
53.00311	0.3
53.03946	10.5
55.01864	2.4
56.96568	0.3
65.03938	4.3
66.03474	0.4
67.02979	0.3
67.04259	1.3
67.05498	1.2
69.73273	0.2
71.57932	0.3
71.58315	0.2
75.34162	0.2
77.03931	2.3
79.01839	0.2
79.05492	20.9
80.05022	5.9
80.05827	0.4
81.03426	1.8
81.04544	0.3
83.28352	0.2
91.05479	33.3
92.03757	0.4
92.05789	0.5
92.06286	0.8
93.05788	0.9
95.04966	26.6
96.04483	0.7
96.05322	0.8
103.49026	0.3
105.04514	4.6
105.07030	9.1
106.06566	1.8
106.07219	0.3
107.04951	100.0
107.06120	2.5
107.08587	6.1
108.04469	0.8
108.05342	2.2
108.08110	1.9
109.06518	5.0
118.06578	0.3
119.06077	1.3
122.78447	0.3
124.05196	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02382	0.6
53.03945	4.7
55.01861	1.2
55.05497	0.7
61.71693	0.5
65.03606	0.9
65.03943	16.6
66.03455	0.6
66.04255	0.6
67.04236	2.3
67.05505	3.3
69.49566	4.8
77.03916	0.8
79.05492	26.3
80.05021	7.4
90.42500	0.5
91.05481	100.0
92.05799	2.0
92.06302	2.7
93.05773	0.7
95.04961	9.0
95.05540	0.6
96.04471	0.7
103.05489	0.8
105.04507	1.9
105.07030	26.6
106.04186	0.6
106.06563	2.3
106.07314	0.9
107.04956	18.4
107.06052	2.9
107.08592	17.8
108.04489	0.7
108.05646	1.3
108.08138	1.3
108.08868	0.6
109.06512	11.2
116.27470	0.5
119.06060	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	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01597	0.4
51.02382	2.1
52.89950	0.2
53.03947	10.0
55.01869	2.9
65.03938	4.6
66.03457	0.6
66.61122	0.2
67.02998	0.3
67.04243	3.0
67.05501	0.9
68.79195	0.2
77.03925	2.5
79.01852	0.2
79.05493	25.4
80.04562	0.4
80.05020	5.7
80.05825	0.7
81.03425	1.8
81.05331	0.3
86.32500	0.2
91.05480	26.4
92.03751	0.6
92.05779	0.4
92.06275	0.7
93.05785	1.0
95.04969	28.1
96.04449	0.4
96.05311	0.4
103.05497	0.3
105.04520	5.4
105.05224	0.4
105.07030	7.2
106.06570	2.5
106.07280	0.4
107.04954	100.0
107.06118	2.8
107.08584	5.3
108.04477	0.7
108.05328	2.2
108.08176	1.0
108.08796	0.2
109.06516	3.7
119.06068	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01593	0.5
51.02386	1.5
53.03948	10.8
54.04265	0.3
55.01871	2.8
59.98029	0.3
65.03925	2.2
66.42660	0.3
67.04250	1.8
67.05511	0.5
71.16957	0.4
71.17270	0.3
77.03924	1.9
78.04720	0.3
79.05492	17.8
80.05013	4.0
81.03408	1.7
91.05482	14.2
92.06290	0.5
93.05783	0.3
95.04969	25.6
96.05300	0.6
105.04510	4.6
105.07024	3.5
106.06561	1.9
107.04955	100.0
107.06114	2.5
107.08586	2.8
108.04523	0.7
108.05311	2.3
108.08102	0.7
109.06505	2.2
115.41587	0.3
118.06536	0.3
119.06100	0.7
119.22432	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.4
51.02387	1.6
53.03946	12.1
55.01870	2.6
62.22167	0.2
63.59217	0.3
65.03930	1.1
67.04236	1.1
71.31818	0.4
73.99468	0.3
77.03914	2.4
79.05494	17.8
80.05019	2.7
80.05810	0.8
81.03443	1.6
91.05479	9.3
91.05975	0.2
91.06072	0.3
92.03770	0.3
95.04965	24.0
105.04511	4.6
105.07026	2.0
106.06564	0.7
107.04951	100.0
107.08606	1.8
108.04597	0.5
108.05242	2.6
108.08121	0.4
109.06519	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01595	0.7
51.02378	1.9
53.00304	0.5
53.03946	9.0
54.04281	0.2
55.01869	3.1
55.11466	0.2
56.96565	5.3
57.72073	0.2
58.99854	0.3
59.52185	0.2
61.04832	0.2
64.95556	0.6
65.03940	0.9
67.04247	1.5
67.05514	0.4
68.13562	0.1
68.52704	0.1
68.99792	0.2
69.03428	0.5
69.70838	0.1
70.82746	0.4
71.01350	0.5
75.45376	0.1
77.00907	0.4
77.03927	2.4
78.04733	0.2
79.01828	0.3
79.05489	21.3
80.05019	3.1
80.05825	0.6
80.06259	0.2
81.03414	2.2
82.01434	1.0
83.50565	0.1
85.02901	0.5
85.51907	1.5
86.01913	0.2
87.06535	0.2
91.02410	0.2
91.05479	4.3
91.82694	0.2
92.06277	0.2
93.05774	0.5
94.52435	1.9
95.02530	0.4
95.04965	30.1
95.52335	0.2
96.05304	0.5
97.02713	0.3
98.97549	0.2
99.05154	0.2
100.02480	5.9
101.02590	0.9
102.02274	0.9
103.02442	1.1
103.52972	0.3
104.02044	0.2
105.02151	0.2
105.04508	5.1
105.07029	1.1
106.04826	0.2
106.06553	1.7
107.04951	100.0
107.08570	0.9
108.04504	0.3
108.05228	2.4
108.08116	0.7
109.06511	0.6
113.02399	0.4
116.98599	0.2
118.03518	4.6
118.06537	0.2
119.01902	0.3
119.03608	0.4
120.03283	0.7
121.03477	0.8
122.03559	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	107.0494
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01585	1.0
51.02376	1.7
53.03943	13.8
55.01859	1.9
56.96553	2.4
64.88695	0.8
65.03938	12.0
67.05496	1.5
70.83892	2.5
77.03919	2.4
79.05491	33.7
80.05015	13.6
81.03391	2.1
81.04541	0.9
91.05476	80.2
92.05766	1.4
92.06270	2.7
93.05776	2.6
95.04965	30.4
96.04520	1.1
98.81630	0.8
105.04499	5.8
105.07021	20.0
106.06558	5.9
107.04951	100.0
107.06109	3.3
107.07417	1.6
107.08577	15.9
108.04474	4.0
108.05326	2.6
108.08121	5.6
108.08766	1.1
109.06503	11.1
117.38583	0.8
119.06065	3.1
123.68250	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02371	1.1
53.03948	10.9
55.01880	2.4
65.03936	3.8
67.04239	1.1
67.05495	0.5
69.55739	0.4
70.97917	1.1
77.03925	2.0
79.05494	15.4
80.05006	2.6
81.03410	1.7
91.04902	0.7
91.05480	20.8
95.04967	24.4
95.97446	0.4
105.04521	5.0
105.07030	5.5
106.06564	0.5
107.04954	100.0
107.08571	4.0
108.04543	0.4
108.05346	1.6
108.08069	0.6
109.06511	2.8
116.44214	0.4
119.06095	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.4
52.03641	0.3
53.03944	11.1
54.03487	0.3
55.01869	3.0
56.96546	0.6
65.03931	4.2
65.09454	0.4
67.04243	1.2
67.05496	1.1
71.58227	0.6
77.03928	1.8
77.04298	0.4
79.01854	0.3
79.05491	20.9
80.05013	5.0
80.05819	0.3
81.03435	1.9
81.26114	0.3
91.05479	24.9
95.04965	25.6
96.04508	0.4
96.05305	0.8
105.04517	5.0
105.07030	5.2
106.06561	1.2
107.04952	100.0
107.06119	2.4
107.08588	5.3
108.04485	1.1
108.05319	2.5
108.08111	2.1
109.06509	2.9
119.06063	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01596	1.2
51.02382	3.2
52.60482	0.4
53.00288	0.6
53.03948	19.9
54.03463	0.6
55.01873	3.3
56.96571	4.3
63.02365	0.5
64.95563	0.7
65.03942	5.1
66.03452	0.9
66.04711	0.5
67.04247	14.6
67.05500	1.2
69.03426	0.7
70.66691	1.5
73.44344	0.4
77.03928	3.0
78.04715	0.4
79.05493	100.0
80.05017	21.4
80.05817	2.5
80.06275	1.6
81.03410	3.0
81.04546	1.7
90.04700	1.5
91.05482	31.3
92.03753	1.3
92.06277	1.0
93.05792	3.3
95.04970	49.8
96.04501	0.8
96.05282	0.9
105.03838	0.7
105.04523	10.0
105.07034	8.4
106.06563	3.3
107.04957	91.8
107.06025	10.7
107.07349	1.2
107.08582	5.4
108.04477	2.2
108.05783	3.7
108.08121	4.9
109.06530	4.1
119.06097	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1069.5565
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04478	3.7
77.03904	0.6
79.05488	4.6
81.03404	0.8
81.07053	15.1
83.04974	7.7
83.08616	3.9
85.02898	47.9
87.04446	0.8
91.03944	3.4
91.05465	5.4
93.07032	12.5
95.01323	8.2
95.04955	1.5
95.08600	32.9
97.02857	5.0
97.10152	2.4
99.00806	0.7
99.04447	1.7
101.02373	19.4
103.03915	1.5
105.07024	15.1
107.08585	20.4
109.02862	1.4
109.10149	23.2
110.10509	0.5
111.04433	6.1
111.08062	4.3
111.11701	1.0
113.02362	1.6
117.07005	1.1
119.08571	20.3
121.10136	16.8
123.11701	9.2
125.09659	0.6
127.03909	38.3
129.05472	9.3
129.06927	1.0
131.03407	0.9
131.08569	4.2
133.10115	16.2
135.11691	13.1
137.13225	4.0
139.11147	1.6
141.01813	21.7
143.08554	1.8
145.04948	48.1
145.10100	10.5
147.06517	5.8
147.11681	15.4
147.34016	0.5
148.11945	0.7
149.13235	9.8
151.11206	0.9
151.14749	0.9
157.10117	2.8
159.02884	4.2
159.11681	12.8
160.12117	0.5
161.13254	15.5
163.06012	5.5
163.14793	8.4
165.07588	0.8
165.12724	1.1
171.11635	3.1
173.13263	9.7
175.14810	9.9
177.03911	1.1
177.16377	12.0
178.94241	0.5
179.14305	0.7
179.17953	2.0
183.11760	0.8
185.13306	2.4
187.14809	8.3
189.07629	0.5
189.16370	12.1
190.16638	0.6
191.14336	0.8
191.17946	6.5
193.15894	1.8
195.17445	0.9
197.13206	1.5
199.14735	3.9
201.16368	15.7
203.17946	14.8
204.18362	0.8
205.15868	5.4
205.19514	4.7
207.17528	2.6
213.16338	3.1
215.17946	7.8
217.16109	3.0
217.19495	16.4
219.17508	2.6
219.21037	1.0
219.78630	0.6
223.16695	0.6
225.16383	1.0
225.34195	0.6
227.17915	5.2
229.19478	5.8
231.17442	1.1
231.21030	2.3
233.18979	1.7
235.20424	0.6
239.17920	0.8
241.19435	2.5
243.21115	4.4
245.19022	2.0
245.22668	1.0
247.20490	0.7
253.19518	1.0
255.08507	1.2
255.21004	4.5
257.22675	3.2
259.20529	0.8
267.21103	2.0
269.06458	0.6
269.22641	4.1
271.24179	1.5
273.09613	0.6
281.22607	2.0
283.24203	1.7
285.22290	0.7
285.25851	0.6
287.07391	0.7
292.33768	0.6
295.24130	1.4
297.25729	1.8
305.08478	2.6
309.11630	0.9
309.25641	0.8
311.27255	1.7
313.25308	1.5
325.28903	0.7
353.28275	0.6
363.30826	0.9
365.19644	1.0
365.32010	8.0
393.35156	1.6
395.37158	0.8
405.35147	28.5
406.35632	1.4
407.36682	0.7
423.36172	100.0
424.36511	6.2
441.37271	5.0
451.35901	0.6
549.39270	1.6
567.40753	3.0
581.38269	11.6
599.39203	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	1067.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03922	0.7
79.01865	0.4
81.03419	3.6
83.04964	0.9
85.02897	0.8
89.03909	0.4
91.05466	1.2
93.03394	0.3
94.08064	0.3
95.04958	1.9
97.02901	0.3
99.04459	0.7
103.05473	0.5
105.03378	1.7
107.04948	0.9
109.02873	5.6
111.00796	9.8
111.04478	1.6
115.05459	1.3
119.04934	0.8
121.02871	2.3
123.04420	16.3
125.02369	0.7
127.03909	59.2
128.04263	0.8
128.06133	0.4
129.06992	0.5
131.04945	1.2
133.02834	5.5
133.06525	0.5
135.04427	2.2
137.02304	0.6
137.05957	0.4
139.03891	100.0
140.04268	1.2
143.03397	0.5
143.04929	0.4
145.02910	0.4
145.06497	0.8
147.04399	7.6
149.02327	2.7
149.05945	1.1
150.03140	0.8
151.03894	45.6
152.04295	0.9
153.01813	8.6
153.02986	0.6
153.05460	1.1
155.03381	5.2
155.04860	0.9
156.03592	0.3
157.02872	0.8
157.06496	1.3
159.04330	2.0
161.02332	1.4
161.05997	2.4
163.03889	9.0
165.01768	0.4
165.05513	1.9
167.03394	2.1
167.04813	0.8
169.04964	2.9
169.06369	0.8
171.04387	3.4
173.02454	0.3
173.05983	1.2
175.03899	11.6
176.04494	0.4
177.01831	0.9
177.05450	8.0
177.06868	0.7
179.03384	53.2
180.03821	0.9
181.04979	2.4
183.04413	1.1
185.05965	2.3
187.03912	1.3
189.01767	0.4
189.05470	5.2
189.07057	0.5
191.03362	6.6
191.06979	0.5
193.04953	3.1
193.94278	0.3
197.06029	1.1
199.03918	5.2
200.04648	0.5
201.05435	4.0
203.03380	21.2
204.03764	0.5
205.01453	0.3
205.04953	4.6
211.03983	0.8
213.05475	6.5
215.03375	1.6
215.06990	0.7
215.88362	0.3
217.04948	7.6
218.62309	0.3
219.02890	0.8
219.06465	1.7
221.04463	1.0
223.02242	3.2
225.05493	1.2
227.03267	1.7
229.04935	5.5
230.05623	0.7
231.02888	0.9
231.06520	2.9
233.04362	2.7
235.02380	0.6
235.05965	0.8
237.05507	0.4
239.03453	0.6
241.04994	3.8
243.06522	1.1
245.04442	59.5
246.04811	1.2
247.02292	0.8
247.05989	1.2
251.05481	0.8
253.04909	2.6
255.06474	0.9
257.01746	0.7
257.04434	11.6
257.07065	0.6
258.05170	1.3
259.05945	3.9
261.03842	0.5
263.05481	44.6
264.05884	0.6
265.04993	0.7
267.06366	0.7
268.03732	0.5
268.06726	0.4
269.04437	5.9
270.05106	0.4
271.02795	0.5
271.06058	4.2
273.03983	0.9
274.04672	0.5
275.05453	15.5
276.05722	0.5
277.07056	3.1
279.06534	0.3
281.04358	2.3
282.05142	0.4
283.06033	1.2
285.03937	1.1
286.04639	0.7
287.05481	57.2
288.05783	1.7
289.07031	10.7
293.04300	0.7
295.06076	1.8
297.03903	1.5
297.07217	0.3
299.05490	23.2
300.05994	0.8
301.06946	1.0
303.04883	0.8
305.06531	18.4
306.06775	0.4
307.05392	0.6
307.08499	0.7
309.03912	1.1
311.05505	3.0
313.06870	0.6
315.05423	0.5
317.06558	22.2
318.06967	0.7
321.03888	1.0
321.07550	1.3
323.05557	2.3
325.06979	0.5
327.05038	0.6
329.06491	1.7
331.05557	0.6
333.07532	0.4
335.05402	0.6
337.06937	0.5
339.04926	1.5
341.06708	0.5
347.07611	0.5
349.07184	1.7
351.04843	1.5
353.06403	0.6
357.05612	0.4
359.05447	0.8
363.05084	0.8
365.06491	0.7
377.06546	1.4
381.05920	1.2
389.06482	1.5
393.06192	1.9
395.07455	1.8
399.06860	1.4
405.06009	4.8
406.06473	0.4
407.07584	7.6
408.07913	0.5
411.07120	1.0
413.08755	4.4
417.05972	1.3
419.07355	0.6
423.07086	15.1
424.07446	0.5
425.08649	25.7
426.08887	0.6
435.07108	3.8
437.08780	1.6
441.08176	7.6
443.09714	8.5
447.07306	1.6
449.08615	1.7
453.08197	2.5
455.09790	0.6
459.09094	4.6
465.08136	2.9
467.09750	2.9
476.75119	0.4
483.08990	0.8
484.46201	0.4
543.09088	2.1
549.10376	1.7
555.08813	0.9
561.10181	2.2
567.10327	1.3
573.10205	2.3
575.11353	1.1
577.09558	1.3
585.10297	2.2
591.11163	0.5
595.10779	5.6
603.11060	1.2
609.11548	0.4
619.10779	0.5
693.11780	1.4
711.13507	1.9
713.10449	1.2
729.13409	1.0
773.13019	0.6
881.14728	1.0
899.16925	1.5
1098.35583	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03910	1.2
79.01859	1.0
81.03411	4.3
83.04975	0.7
83.83698	0.7
85.02929	1.2
91.05432	1.0
93.03410	1.1
95.04966	2.9
98.21613	1.4
105.03378	2.4
109.02883	11.0
111.00795	8.6
111.04420	1.5
115.05485	0.7
119.04933	1.2
121.02858	2.6
123.04423	18.4
125.48535	0.8
127.03912	64.1
129.07027	0.9
133.02846	6.5
135.04425	2.2
139.03896	100.0
140.04269	1.8
143.03432	0.9
145.06514	0.9
147.04402	8.5
149.02348	3.3
151.03896	54.7
153.01802	10.2
153.05464	2.3
155.03394	12.8
157.02846	1.1
157.06496	1.1
159.04417	2.8
161.02403	1.8
161.05991	3.1
163.03911	11.2
165.05473	2.0
167.03363	2.1
167.04764	0.7
169.04971	2.0
169.06372	0.8
170.79263	0.8
171.04413	4.1
172.29710	0.7
173.06053	1.4
175.03915	14.1
177.01910	1.3
177.05492	6.6
179.03392	55.1
180.03764	0.8
181.04941	2.6
185.05949	2.4
185.52660	0.7
187.03818	1.7
189.05470	4.3
191.03441	6.0
193.04973	3.4
197.05963	2.2
198.01280	0.9
199.03865	6.4
201.05450	4.9
203.03369	19.8
205.04901	4.0
211.03889	1.3
213.05444	7.7
215.03389	2.2
217.04961	7.6
219.02907	1.6
219.06563	1.6
219.78261	0.8
221.04430	1.9
223.02264	4.7
225.05469	1.5
227.03345	1.7
229.04976	5.7
231.06502	3.1
233.04509	2.8
241.04944	6.0
243.06532	1.0
245.04448	43.8
246.04846	1.6
247.05888	1.3
253.04945	2.3
255.06378	1.2
257.04437	15.8
258.04984	1.2
259.05966	4.8
261.04254	1.0
263.05481	34.3
265.05099	1.1
269.04437	8.4
271.05984	6.7
273.03949	1.9
274.04779	1.0
275.05450	11.2
276.27457	0.7
277.07077	4.7
281.04443	3.5
283.05942	1.9
285.04044	1.3
287.05490	58.8
288.05841	2.0
289.07034	7.8
293.04202	0.9
294.69565	0.8
295.06244	1.3
297.03955	1.9
299.05472	27.4
300.06149	0.9
301.07007	1.4
303.05530	1.2
305.06549	25.7
310.18637	0.8
311.05606	5.5
317.06555	21.4
321.04083	1.4
321.07568	1.2
323.05502	3.0
329.06509	3.7
331.05914	1.2
337.07108	1.1
339.04993	2.0
347.07541	1.8
349.07098	2.0
351.05173	1.0
361.07077	1.6
375.04510	0.9
377.07022	1.3
389.06534	1.2
393.06067	3.6
395.07809	0.9
405.06003	6.1
407.07825	6.4
413.08542	2.5
417.06009	1.4
419.07623	1.4
423.07074	11.9
425.08636	26.0
435.07138	3.7
437.08505	2.5
441.08206	10.6
443.09683	8.3
447.06934	2.5
449.08566	1.9
453.08267	2.6
459.09119	4.6
465.08075	7.0
467.09811	4.0
483.09290	2.5
543.08954	2.9
561.10321	2.4
567.10303	1.9
573.10352	1.4
575.11572	1.0
577.09979	1.2
585.10260	1.5
591.10956	2.2
595.10919	5.2
603.11169	2.5
609.12787	1.1
693.12451	1.6
711.13226	1.1
713.09644	1.1
729.13397	1.0
751.35529	0.9
886.23596	0.8
899.17426	1.3
909.23419	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1065.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03923	0.4
79.01825	0.9
81.03413	2.2
88.04552	0.2
89.03886	0.5
91.05466	0.7
93.03372	0.4
95.04931	0.8
97.02870	0.5
99.04390	0.3
105.03343	1.0
107.01316	0.4
107.04921	0.5
109.02859	3.0
111.00793	3.4
111.04378	0.9
115.05416	0.7
117.03298	0.2
117.07006	0.4
119.04905	0.4
121.02872	1.3
123.04424	6.1
125.02324	0.9
127.03912	21.9
128.04201	0.3
131.04926	1.5
133.02859	2.7
135.04401	1.6
137.02373	0.6
138.21138	0.3
139.03897	27.9
140.04141	0.5
143.03360	1.4
143.04916	0.3
145.02841	0.3
145.06447	0.8
147.04427	3.4
149.02335	6.2
149.05937	0.7
150.03082	1.1
151.03897	13.5
152.04178	0.3
153.01822	15.9
153.02904	0.6
153.05409	0.5
155.03407	3.9
155.04787	0.6
157.06485	0.4
159.04413	1.9
161.02274	0.8
161.05977	1.2
163.03874	6.0
165.01761	0.7
165.05420	0.7
167.03407	1.6
169.06465	0.6
171.04424	1.7
171.05646	0.4
173.06006	1.9
175.03914	4.4
177.01839	1.0
177.05452	3.8
179.03386	13.9
181.04964	1.9
183.04372	1.2
185.05888	1.4
187.03888	1.6
189.05444	1.5
191.03394	4.0
193.04904	1.2
197.05937	0.8
199.03896	2.9
200.04628	0.3
201.05452	2.8
203.03378	5.9
203.06758	0.3
205.04950	4.1
211.04030	0.4
213.05449	3.1
215.03372	1.3
216.04039	0.3
217.04971	3.2
219.02905	3.1
219.06424	0.6
221.04570	0.3
223.02307	0.6
225.05489	0.7
227.03412	2.0
229.02856	0.5
229.04965	6.4
231.02768	0.4
231.06500	1.1
233.04437	0.9
237.03934	1.0
239.03439	0.4
241.04944	2.5
243.02762	0.6
243.06499	0.7
245.04439	6.4
247.02144	0.3
247.06032	3.8
253.05028	1.3
255.02879	1.6
255.06647	0.3
257.04428	8.0
258.05005	0.7
259.05994	2.0
261.03909	4.1
263.05490	11.2
264.05777	0.3
265.05109	0.4
267.02887	0.3
267.06396	0.5
269.04428	3.0
271.05984	2.3
273.03928	4.9
274.04568	0.9
275.05460	5.7
276.90887	0.3
277.07043	1.1
281.04419	1.1
283.06039	0.8
285.03940	4.8
286.04172	0.3
287.05478	18.5
288.05820	0.8
289.07016	2.4
293.04413	0.6
295.06009	0.6
297.03891	2.2
298.04590	0.5
299.05450	4.7
301.07071	0.5
302.04013	0.6
303.04971	100.0
304.05240	3.3
305.06586	3.5
309.03827	0.6
311.05447	1.2
313.07019	0.3
315.04956	12.1
316.05344	0.5
317.06464	2.7
319.05777	0.5
323.05438	0.7
327.04947	4.4
329.06470	0.5
339.05103	0.6
339.74539	0.3
341.06656	0.3
345.06088	0.9
347.05490	0.3
351.05145	0.5
353.06635	0.4
357.06021	0.6
359.05673	0.5
363.04944	0.4
365.06415	0.3
375.04828	0.3
377.06479	0.7
379.04568	0.7
389.06445	0.7
393.06152	1.0
395.07266	0.4
401.06656	0.3
405.06061	2.1
407.07574	2.4
409.09415	0.6
411.07132	0.5
417.05872	0.6
419.07364	0.7
421.05414	1.1
423.07098	3.5
425.08633	4.3
429.07224	0.6
433.05591	0.4
435.07028	1.6
437.08783	2.6
439.06433	2.0
441.08154	42.9
442.08481	1.4
443.09576	0.5
447.07117	1.2
449.08511	0.3
451.06616	0.8
453.02258	0.4
453.08237	6.4
457.05798	0.3
463.06702	0.8
465.08133	5.3
467.09439	0.5
483.09244	3.6
501.40424	0.3
541.07727	0.5
555.09344	0.4
559.08502	1.8
571.09070	0.5
573.10291	1.1
575.11627	0.7
577.09753	3.7
583.08728	0.8
589.09656	1.3
591.02625	0.5
591.11310	5.0
592.11322	0.4
595.10675	1.2
601.09662	2.5
607.10681	0.7
619.10541	2.6
635.10663	0.4
709.11963	1.6
727.12799	3.5
745.13702	2.1
834.82220	0.3
879.14417	0.5
897.14948	1.1
1068.10242	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1065.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00481	0.4
79.01846	1.7
81.03403	1.3
91.05491	0.6
91.49482	0.5
95.04978	0.7
97.02896	0.6
105.03382	0.4
107.01356	0.6
109.02877	1.1
111.00800	3.2
111.04427	1.1
115.05476	0.9
121.02863	2.1
123.04434	3.0
125.02348	1.1
127.03928	11.6
133.02841	1.7
133.06491	0.7
135.04390	1.4
137.02304	0.6
139.03902	33.9
141.06981	0.6
143.03445	0.9
145.02757	0.5
145.06464	1.0
147.04402	1.8
149.02356	6.1
149.06010	0.8
150.03116	1.3
151.03914	8.4
153.01830	16.8
154.02124	0.5
155.03381	2.7
155.04843	0.7
159.04370	1.1
161.02350	0.6
161.05936	1.0
163.03903	7.3
165.01868	0.9
165.05539	0.7
167.03442	0.8
169.06537	0.7
171.04417	1.3
173.05984	1.5
175.03906	3.9
177.01845	1.1
177.05495	2.5
179.03386	12.4
181.04945	1.0
181.06422	0.6
183.04436	1.6
185.06052	1.1
187.03957	1.6
189.05447	1.9
191.03410	5.0
193.05008	1.2
197.06001	1.1
199.03909	2.0
201.05446	3.4
203.03391	5.4
205.01237	0.5
205.04945	4.4
211.03897	1.2
213.05505	2.8
215.03366	2.2
217.04948	1.4
219.02943	4.3
223.02377	1.9
225.05501	0.9
227.03392	0.8
229.04982	7.2
231.06575	1.3
232.38017	0.5
233.04459	1.6
236.90744	0.5
237.03859	1.1
239.03410	0.8
241.04958	1.7
242.69821	0.5
243.02855	1.2
243.06613	0.8
245.04472	8.6
246.04752	0.5
247.05991	4.5
249.03914	0.6
253.04987	1.8
257.04456	16.6
258.05029	0.9
259.06006	1.0
261.03903	3.4
263.05533	8.8
269.04504	2.9
271.06134	2.7
273.03949	2.0
274.04819	0.8
275.05484	8.4
279.67346	0.5
281.04544	1.2
283.05872	0.8
285.04019	5.1
286.04718	0.7
287.05453	11.4
288.06061	1.1
289.07034	1.8
295.05899	0.9
297.03928	0.9
297.07620	0.4
298.04770	0.7
299.05508	11.2
301.07135	1.0
303.04993	100.0
304.05319	3.2
305.06583	3.0
307.06168	0.6
311.05441	0.9
315.04980	3.8
317.06592	10.5
319.05994	0.5
323.05508	1.6
327.04950	2.8
335.05478	0.5
340.94803	0.5
341.06735	0.5
345.06638	0.6
351.04688	0.8
361.07153	1.1
377.06491	1.0
379.04514	0.6
389.06488	1.9
393.05994	1.8
405.05872	1.3
407.07645	7.7
411.07050	2.3
417.06076	0.7
421.05664	1.4
423.07013	1.5
425.08667	9.4
429.08231	7.0
433.05466	0.7
435.07095	1.7
437.08646	0.6
439.06454	2.4
441.08145	9.4
445.05457	1.0
449.08502	0.9
451.06381	0.7
453.08325	1.6
463.06549	2.7
465.08234	1.1
467.09341	1.1
481.07010	0.8
483.09579	0.8
541.08179	0.8
559.08978	3.1
565.09778	15.1
566.09753	0.6
571.08844	1.2
577.09821	3.7
583.08282	1.3
589.09619	5.1
591.10956	1.0
595.10596	1.1
601.10077	2.8
607.10748	1.0
619.10620	0.8
691.10638	0.5
709.11987	3.4
727.12988	11.1
739.12799	0.6
745.14246	0.7
879.14130	3.9
880.09778	0.5
897.14777	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	1061.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
76.10797	0.4
77.03940	0.7
81.03412	4.3
83.04977	1.5
91.05475	4.6
95.04971	2.5
101.92240	0.4
103.05465	0.5
105.03379	2.0
105.07020	0.7
107.04960	0.7
109.02865	5.9
111.00800	10.0
111.04431	1.7
115.05462	1.7
119.04945	9.0
120.08133	0.7
121.02853	2.3
123.04426	16.7
125.02316	1.1
127.03909	53.5
129.19170	0.4
131.04933	2.0
133.02823	5.1
133.06482	0.5
135.04420	2.2
137.02315	0.9
139.03894	100.0
140.04248	1.4
141.06935	0.5
141.26230	0.5
143.04906	0.7
145.02844	0.5
145.06410	0.6
147.04401	35.5
149.02327	3.3
149.06026	1.1
150.03146	1.0
151.03894	45.6
152.04213	0.7
153.01830	2.2
153.05449	1.0
155.03391	7.6
157.06390	0.9
159.04462	1.7
161.02342	1.4
161.05959	2.4
163.03899	10.5
165.01848	0.6
165.05482	2.3
167.03372	1.5
167.04735	0.4
169.04945	2.5
169.06429	0.9
171.04399	3.7
173.05959	1.5
175.03899	10.6
177.01889	1.1
177.05467	6.6
179.03383	52.8
180.03708	1.0
181.04939	1.3
183.04395	1.0
185.02406	0.5
185.05927	2.4
187.03922	1.8
189.01840	0.7
189.05429	4.6
191.03366	6.2
193.04935	3.0
197.05984	1.7
199.03909	5.1
201.05438	4.0
203.03383	23.2
204.03596	0.6
205.01210	0.5
205.04962	4.0
211.03871	0.6
213.05470	6.5
215.03423	1.8
215.07040	0.7
217.04941	7.3
218.05602	0.6
219.02879	1.1
219.06493	2.0
221.04420	1.4
223.02327	3.5
225.05464	1.6
227.03412	2.2
229.04935	5.1
230.05539	0.7
231.06490	3.2
233.04428	3.3
235.05919	0.8
237.05357	0.8
239.07076	0.6
241.04944	4.6
243.06555	1.3
245.04445	76.9
246.04779	1.1
247.06035	1.6
249.03706	0.5
251.05344	0.9
253.04865	2.2
255.06480	0.6
255.51375	0.5
257.04413	11.6
258.05090	1.4
259.05957	3.2
261.04196	0.7
263.05487	47.4
264.05930	0.5
269.04443	6.1
271.02899	0.7
271.05911	4.9
273.03925	1.3
274.04706	0.8
275.05460	16.3
277.07089	3.6
279.06314	1.2
281.04388	2.1
283.06030	1.8
285.03891	1.7
287.05484	60.9
288.05862	2.0
289.07053	15.1
293.04733	1.0
293.07773	0.6
295.06113	1.8
297.03949	1.5
297.07333	0.7
299.05478	22.7
300.05887	1.1
301.06979	2.0
303.05368	0.7
305.06512	19.7
306.06900	0.6
307.05817	0.7
309.03928	0.6
309.07565	0.7
311.05530	2.5
313.06989	1.1
317.06509	18.4
319.05792	0.8
321.03857	1.2
321.07568	2.0
323.05457	1.9
329.06619	1.7
331.05927	0.8
333.07513	0.7
335.05624	0.8
337.07068	0.7
339.04993	1.3
347.07913	0.9
349.06927	1.4
351.05051	2.1
361.06873	1.1
363.04709	0.8
365.06989	1.2
368.98535	0.5
375.05069	0.6
376.99518	0.6
377.06473	1.4
381.06186	1.2
389.06494	1.8
393.06018	2.0
395.07584	2.4
399.07211	1.1
401.06705	0.6
405.05978	5.8
407.07535	6.8
411.06934	1.4
413.08691	5.8
417.06158	1.1
419.07458	0.7
423.07071	20.0
425.08649	26.8
426.08844	0.7
435.07178	4.1
437.08578	0.8
441.08167	9.0
443.09671	9.0
447.06818	1.5
449.08594	1.7
453.07458	2.8
455.09564	1.1
465.08041	3.1
467.09924	2.2
483.09036	1.0
525.07922	1.2
543.09174	2.6
549.09869	2.9
555.08545	0.6
561.10065	1.9
567.09766	1.3
571.11877	1.1
573.09839	2.4
575.11688	1.2
585.09906	2.0
589.13086	1.9
591.11237	0.6
593.12665	0.8
603.10992	1.8
693.12079	1.5
707.13843	0.6
711.13226	2.4
729.13947	1.5
767.00110	0.5
767.14978	0.6
875.17877	0.9
893.18054	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	1.1
50.12857	0.3
50.30612	0.3
51.02382	3.6
53.03946	15.8
55.01873	1.0
63.77883	0.3
70.70518	1.1
77.03930	5.1
79.05490	72.8
80.05824	1.6
81.03405	1.9
95.04967	41.2
96.05302	0.9
102.04662	0.7
103.05463	54.3
104.05800	1.3
105.04541	7.8
105.07027	100.0
106.07346	2.8
124.62314	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03928	1.3
79.01830	1.3
81.03412	6.3
83.04977	1.6
85.02905	1.2
89.03927	0.7
91.05445	1.7
93.03391	0.9
95.04953	2.7
97.02897	0.9
99.04462	1.5
104.16154	0.6
105.03393	4.0
105.06989	0.7
107.04955	1.8
109.02877	8.1
111.00796	13.5
111.04447	3.1
115.05442	1.8
117.03388	0.8
119.04948	1.3
121.02863	2.3
123.04421	69.1
124.04754	0.7
125.02363	1.2
127.03908	100.0
128.04254	0.7
128.06253	1.0
130.63544	0.6
131.04915	1.5
133.02849	5.8
133.06497	1.0
135.04413	12.1
137.02336	2.1
137.05933	1.2
139.03893	94.7
139.96179	0.6
140.04234	1.3
141.07011	0.6
143.03384	1.0
143.04916	0.9
145.06476	1.7
147.04405	15.7
149.02359	5.4
149.05966	1.6
150.03123	0.9
151.03893	58.4
153.01828	12.2
153.05493	1.4
155.03398	8.2
155.04785	1.0
157.06516	1.6
159.04419	3.8
161.02322	3.3
161.05971	3.4
163.03893	17.7
165.01826	1.1
165.05493	3.8
167.03471	4.2
167.04823	1.0
169.04955	4.2
169.06409	1.3
171.04390	3.4
173.05988	2.1
175.03900	17.2
175.40448	0.7
177.01851	0.6
177.05463	9.7
179.03384	68.0
180.03793	1.1
181.04956	2.0
181.06435	0.7
183.04407	1.5
185.05907	3.1
187.03905	3.1
189.05453	8.5
191.03372	9.9
193.04959	4.5
197.06000	2.7
199.03923	6.6
201.05450	5.8
203.03383	31.0
204.03845	0.6
205.04994	3.6
209.05901	1.0
213.05481	8.3
215.03421	3.4
215.07042	0.6
217.04967	9.9
219.02913	1.1
219.06508	2.1
221.04462	1.8
223.02364	3.8
225.05498	1.6
227.03394	3.0
227.06874	1.1
229.04945	7.6
231.02956	0.9
231.06482	3.9
233.04427	5.3
237.05386	1.3
241.04971	6.5
243.02850	1.3
243.06549	1.1
245.04445	91.4
246.04800	1.6
247.02269	1.0
247.03165	0.6
247.06010	14.5
253.04938	2.7
255.06512	2.4
257.04428	18.2
258.05075	2.2
259.05957	6.7
263.05487	45.6
264.05917	1.0
265.05133	0.8
266.05576	0.8
269.04431	12.3
270.05118	1.0
271.06033	7.6
273.03964	1.7
273.07565	7.8
274.04904	1.2
274.07623	0.7
275.05460	23.5
277.07181	4.4
279.06580	1.1
281.04544	3.2
282.05042	0.9
283.05988	6.4
285.03867	1.8
287.05481	81.9
288.05811	2.0
289.06998	8.5
291.08664	1.9
293.04532	1.1
295.05991	2.5
297.03937	3.1
297.07123	0.7
299.05499	22.0
300.05853	1.1
301.06998	6.0
303.04990	1.2
305.06540	27.3
307.05988	2.1
309.04071	3.2
309.07138	0.7
311.05481	4.4
313.06903	1.4
315.04910	0.8
317.06528	18.2
319.06021	0.6
321.04010	1.3
321.07495	1.9
323.05447	2.9
325.06879	1.6
327.04694	1.1
329.06613	2.7
330.58780	0.7
339.05020	1.1
347.07666	1.0
349.07092	2.0
351.04874	3.2
359.05383	0.8
361.07037	1.8
363.04999	1.0
365.06558	1.4
377.06711	1.5
379.07999	1.6
381.06061	1.5
383.07623	1.1
389.06406	1.8
391.08002	2.8
393.05951	4.9
395.07593	1.3
399.07245	1.4
405.06119	7.5
407.02762	0.9
407.07645	9.3
409.09177	13.4
411.07086	1.2
413.08698	6.8
417.06039	1.2
419.07455	2.0
421.09418	0.6
423.07077	19.2
425.08636	24.6
427.10321	3.4
433.09354	1.1
435.07053	6.0
437.08466	3.4
441.08167	9.5
443.09720	15.1
447.07114	2.5
449.08740	1.1
451.10355	3.9
453.08151	3.8
455.09674	1.9
459.09039	1.4
465.08151	3.4
467.10056	1.4
469.10306	0.7
483.09171	0.8
525.07953	0.8
527.09491	1.0
533.10492	0.9
543.09094	2.1
545.10559	1.1
549.10596	2.8
557.11230	0.9
559.12183	1.3
561.10126	3.8
567.10876	1.1
569.10730	0.8
573.10052	2.0
577.13391	0.8
579.11206	5.8
585.09979	1.0
587.11554	1.2
595.10889	2.6
603.11163	2.5
695.13739	1.5
697.11884	1.1
711.12415	1.1
713.13550	0.9
739.11285	0.9
747.15625	1.7
865.14966	2.5
883.16730	1.3
1032.81787	0.7
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
50.01594	1.0
51.02377	2.8
53.03946	15.0
55.01865	0.8
70.95198	0.5
70.95568	0.6
77.03922	4.1
79.05491	68.2
80.05812	1.2
81.03423	1.8
92.57276	0.2
95.04967	39.0
96.05284	0.5
97.67049	0.3
102.04725	0.3
103.05466	51.8
103.66144	0.3
104.05793	1.1
105.04536	6.7
105.07027	100.0
106.07368	2.5
118.06517	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02377	3.1
53.03714	1.3
53.03945	20.5
55.01860	1.0
56.89065	0.8
61.12558	0.8
65.03931	3.0
65.92683	0.7
70.13634	3.6
71.27127	0.8
72.93729	0.8
77.03935	4.7
79.05491	68.9
80.05840	0.9
85.44193	0.8
95.04966	40.7
103.05464	41.0
105.04536	9.4
105.07029	100.0
105.11055	1.3
106.06578	1.8
106.07385	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	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02374	4.4
52.49000	1.3
52.74958	1.4
53.03947	18.4
65.03949	3.0
69.44405	7.3
69.44824	5.5
77.03933	5.8
79.05494	63.9
79.13367	1.6
86.98073	1.7
87.00863	2.3
95.04967	44.4
96.04510	1.7
103.05460	40.9
105.03396	2.4
105.04522	9.7
105.07029	100.0
106.06573	4.2
106.07341	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	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.9
51.02378	3.1
53.03947	15.8
54.04280	0.3
55.01866	0.7
56.96565	0.3
65.03946	0.3
67.05508	0.3
70.84987	0.3
71.30851	0.3
71.31226	0.7
73.51170	0.3
77.03933	5.6
79.05495	74.1
80.05813	1.4
81.03410	1.8
83.43301	0.3
95.04971	43.4
96.05299	0.6
102.04713	0.5
102.10165	0.3
103.05469	55.5
104.05752	1.3
105.04533	7.1
105.07030	100.0
106.04874	0.3
106.07359	2.8
117.34004	0.3
123.06278	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	1049.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
74.05949	0.4
77.03929	0.4
77.68924	0.3
77.80690	0.3
79.01837	0.9
81.03387	1.4
91.05461	0.8
95.04933	1.0
105.03367	0.8
109.02879	2.4
111.00796	3.2
111.04417	0.7
115.05435	0.6
119.04910	0.7
121.02828	1.1
123.04425	15.0
125.02244	0.8
127.03915	21.3
131.04886	0.9
133.02844	2.0
133.06497	0.4
135.04391	1.7
137.02290	0.8
139.03897	16.2
143.03412	1.5
145.06435	0.8
147.04420	5.2
147.59126	0.3
149.02345	4.3
149.06026	0.4
150.03079	0.8
151.03905	12.1
153.01825	15.3
153.02950	0.6
155.03378	3.2
155.04677	0.4
157.02855	0.5
157.06476	0.6
159.04445	1.6
161.02356	0.5
161.05946	1.2
163.03889	3.4
165.01762	0.7
165.05457	1.4
167.03424	1.6
167.04700	0.3
169.06490	0.5
171.04382	1.7
173.06004	1.8
175.03894	4.5
177.01862	0.7
177.05470	3.4
179.03389	12.1
181.04866	0.6
183.04382	1.0
185.05948	0.9
187.03905	1.5
189.05464	1.8
191.03395	4.3
193.04951	1.2
197.05959	1.2
199.03917	1.9
201.05475	2.8
203.03368	4.6
203.06952	0.3
205.04935	1.8
211.03929	0.5
213.05449	2.8
215.03358	1.8
217.04976	2.4
219.02940	2.8
219.06567	0.8
221.04367	0.4
225.05475	0.7
227.03391	1.8
229.05000	5.3
231.06520	1.0
232.64635	0.3
233.04419	1.2
235.05864	0.4
237.03693	0.5
239.03400	0.9
241.04944	2.4
243.02902	0.7
243.06520	1.1
245.04420	6.2
245.14159	0.3
247.06000	4.1
251.03455	0.4
253.04919	1.2
255.02864	1.2
257.01804	0.5
257.04462	7.8
258.05103	0.6
259.06042	1.9
261.03961	3.6
263.02896	0.6
263.05518	8.6
267.03036	0.6
269.04416	3.5
271.05957	2.7
271.60187	0.3
273.03937	4.1
273.07440	0.9
274.04709	0.4
275.05426	4.0
277.07095	1.4
281.04367	0.9
283.02216	0.3
283.06061	0.6
285.03949	4.8
287.05484	16.8
288.05927	0.7
289.07104	0.9
293.04410	0.5
295.06036	0.7
297.03931	2.3
299.05450	3.9
301.07224	0.5
303.04977	100.0
304.05301	2.8
305.06601	2.9
307.06052	0.4
309.03903	0.9
311.05426	0.9
313.06979	0.5
315.04959	12.3
317.06473	1.8
321.04083	0.7
327.04932	5.5
327.32422	0.3
335.05603	0.4
339.04977	0.8
345.06018	0.9
349.07520	0.4
351.04901	0.6
355.04599	0.5
357.06039	0.5
359.05551	0.4
363.04749	0.4
375.04675	0.4
377.06543	0.8
379.04556	0.6
389.06592	0.6
391.08069	0.6
393.05740	0.6
405.05899	2.0
407.07690	0.6
409.09171	2.0
417.06055	0.4
421.05121	0.7
423.07037	3.4
425.08566	2.1
433.05008	0.6
435.07263	1.0
437.08911	0.8
439.06448	2.4
441.08151	47.2
442.08456	1.9
443.09360	0.7
447.07227	0.5
449.08713	2.3
453.08240	4.8
463.06528	0.8
465.08151	0.8
467.09760	0.6
471.00970	0.4
483.09131	3.2
493.07681	0.4
541.07269	0.4
557.09558	0.5
559.08551	1.9
575.11871	2.8
577.09760	4.7
579.11346	1.0
589.09637	1.2
591.11102	0.9
601.09766	2.1
607.11304	0.5
619.10651	2.4
620.10901	0.4
693.12140	0.7
709.12219	0.4
711.12921	1.6
727.13684	1.6
729.14014	0.6
745.13599	1.7
863.14227	0.7
881.15729	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
77.52645	0.4
81.03413	0.5
83.04920	0.4
85.02869	0.4
91.05478	0.6
95.04959	0.6
96.18622	0.3
98.21594	0.4
105.03407	0.7
107.04948	0.4
109.02871	1.3
111.00797	2.5
111.04413	0.8
115.05431	1.0
117.07043	0.4
119.04905	0.5
121.02835	1.3
123.04425	13.9
125.02354	0.9
127.03909	8.4
129.06976	0.7
131.04930	0.9
133.02846	1.1
133.06459	0.5
134.10715	0.4
135.04387	1.4
137.02298	1.2
139.03899	27.1
143.03397	1.4
145.06430	1.1
147.04402	4.5
149.02339	7.1
149.05928	0.5
150.03064	0.8
151.03908	6.7
153.00543	0.8
153.01825	16.0
153.02925	0.7
155.03380	2.2
155.04817	0.5
159.04437	0.9
161.02332	0.5
161.05963	1.3
163.03889	4.5
165.01848	1.1
165.05431	1.1
169.06451	0.4
171.04388	1.2
173.06012	1.3
175.03886	2.8
177.01816	0.7
177.05528	1.9
179.03384	9.7
183.04390	1.1
185.05975	1.2
187.03900	1.7
189.05402	3.2
191.03403	6.6
193.04958	1.6
197.05940	1.4
199.03914	1.8
201.05432	3.4
203.03383	5.5
205.04933	2.1
211.03748	0.6
213.05475	2.9
215.03336	2.2
217.04991	1.4
219.02927	4.4
219.06509	0.6
223.02344	1.0
225.05370	1.0
227.03406	0.8
229.04948	7.4
231.02907	0.7
231.06503	1.5
233.04395	2.2
237.03777	0.5
239.03438	0.5
241.04953	1.6
243.02777	1.2
243.06454	0.6
245.04401	5.6
247.02298	0.6
247.06038	4.2
253.04921	1.7
255.06641	0.5
257.04449	21.6
258.04913	1.1
259.06140	0.9
261.03946	2.9
263.05432	6.2
265.05026	0.7
269.04395	4.1
271.05963	3.1
273.03934	1.4
273.07596	1.3
274.04706	0.9
275.05493	7.7
276.55777	0.4
281.04514	1.6
283.06015	0.8
285.03961	5.3
285.07147	0.9
286.04767	0.8
287.05484	12.7
295.05734	0.5
297.03940	1.5
299.05469	12.8
301.03387	0.5
302.04285	0.6
303.04971	100.0
304.05304	3.1
305.06555	3.2
307.06015	1.0
309.03912	0.8
311.05460	2.0
315.04990	1.5
317.06549	14.1
319.06110	0.9
323.05402	0.7
325.03552	0.5
327.04913	2.0
345.07516	0.6
351.05026	0.7
361.07266	0.5
365.06613	0.7
373.07150	0.7
375.05212	0.4
377.06650	0.6
389.06259	1.2
391.08276	2.4
393.06131	2.2
401.06558	0.6
405.06012	1.6
407.07504	0.9
409.04675	0.5
409.09329	7.7
411.07156	3.6
417.06076	0.6
419.07285	0.7
421.05670	1.2
423.06964	1.0
425.08646	2.9
429.08173	10.7
433.05093	1.1
435.07086	1.8
437.08698	0.5
439.06503	1.7
441.07889	1.6
445.05298	0.8
451.05930	0.5
451.10770	0.7
453.08215	1.1
463.06607	3.4
481.07690	1.1
547.08704	0.9
553.08081	0.5
557.06750	0.7
559.08618	5.1
561.10150	3.6
565.09778	15.9
566.09949	1.0
567.08911	0.7
571.08478	1.8
577.09827	1.2
579.11047	1.5
589.09662	5.9
601.09564	1.6
607.10919	0.9
619.10419	0.5
693.12164	2.2
709.11633	1.1
711.13354	8.5
727.13000	4.1
729.15314	0.5
863.14441	5.0
881.15460	4.3
882.15173	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
73.04014	0.2
77.03922	0.2
79.01851	0.7
79.05479	0.5
81.03408	0.6
83.14375	0.2
89.03918	0.7
91.05464	0.4
95.04971	0.3
97.02917	0.3
98.20828	0.3
98.48247	0.2
99.04390	0.2
103.05474	0.3
105.03398	0.3
107.04939	0.8
109.02855	0.9
111.00816	1.9
111.04413	1.0
111.79990	0.2
115.05431	0.8
117.07027	0.2
119.04936	0.4
121.02895	1.5
123.04427	6.1
125.02357	0.7
127.03918	5.6
131.04933	1.3
133.02814	0.5
135.04424	5.6
137.02301	1.0
139.03902	21.1
140.04398	0.2
141.06961	0.4
143.03372	1.4
143.04880	0.3
145.02855	0.7
145.06461	0.8
147.04422	1.7
149.02344	4.9
149.05965	0.8
150.03093	0.6
151.03911	4.1
153.01825	14.8
153.06985	0.5
155.03391	1.7
155.04912	0.8
157.06480	0.7
159.04453	1.7
161.02394	1.1
161.05962	1.0
162.03239	0.2
163.03908	12.2
165.01831	1.0
165.05508	0.5
167.03392	0.9
167.04720	0.3
169.06514	0.3
171.04372	0.4
173.02386	0.2
173.05977	1.9
175.03899	2.1
177.01804	0.5
177.05460	2.5
179.03394	3.3
181.04939	0.9
181.06401	0.3
183.04393	1.5
185.05977	1.1
187.03915	2.7
189.01883	0.4
189.05496	1.3
191.03410	4.7
191.06989	0.3
193.04968	1.2
197.05962	0.8
199.03862	1.0
199.07529	0.4
201.05481	3.9
203.03412	3.9
203.06956	0.3
205.04944	4.0
205.06708	0.3
207.02985	1.0
211.03929	0.8
212.50868	0.2
213.05475	2.3
215.03391	2.0
215.07057	0.7
216.04239	0.4
217.04973	1.1
217.72404	0.2
219.02910	3.4
219.06468	0.6
223.02325	0.5
225.05482	0.8
227.03506	0.3
227.06839	0.3
229.04962	8.2
230.05482	0.3
231.02892	0.8
231.06560	0.7
233.04370	1.4
235.02209	0.3
237.03908	0.8
239.03404	0.8
241.04962	1.7
243.02824	0.8
243.06442	0.5
245.04451	6.1
247.06026	13.0
249.03801	0.3
251.05481	0.3
253.04951	1.5
255.06551	1.3
257.04446	20.4
258.05087	0.8
259.05991	3.1
261.03885	2.6
263.05402	1.5
265.05032	0.6
265.32803	0.2
267.02896	0.5
269.04477	2.8
270.05042	0.4
271.05966	5.0
273.03955	1.7
273.07547	0.6
274.04755	1.3
275.05466	4.8
279.06479	0.4
281.04453	1.5
283.02911	0.4
283.05972	4.3
285.03922	5.1
287.05469	8.6
289.07083	2.9
291.06253	0.3
295.06079	1.4
297.03900	1.2
297.07547	0.8
299.05472	2.6
301.03607	0.4
301.07050	7.5
302.04248	0.6
303.04987	100.0
304.05344	2.9
307.06027	0.4
309.03836	0.6
309.07336	0.3
311.05582	0.5
313.03290	0.2
313.06927	0.5
315.04922	2.9
317.06644	0.9
319.05817	0.3
321.04080	0.3
321.07617	0.5
323.05441	1.5
327.04883	1.8
329.07251	0.3
332.06470	0.2
333.07513	0.5
335.05566	0.4
337.03397	0.4
337.07040	0.4
339.05035	0.5
341.06924	0.3
343.05685	0.3
347.05402	0.7
349.07004	0.5
351.05038	0.5
353.06693	0.3
359.05435	0.5
361.07349	1.1
363.04910	0.5
365.06592	1.0
367.04517	0.4
373.06955	0.3
375.05017	0.3
377.06396	1.3
387.04855	0.3
389.06503	2.2
391.08246	0.6
393.06000	1.9
395.07675	0.7
401.06415	0.9
405.06082	2.1
406.07089	0.3
407.07626	8.2
409.09253	6.1
411.07083	1.9
417.06195	0.8
419.07733	1.0
421.05368	0.8
423.07043	3.4
425.08701	5.4
429.08249	3.6
433.05496	0.8
435.07120	1.6
437.08716	1.4
439.06961	0.5
441.08301	4.4
445.05579	0.8
447.07199	1.7
449.08859	0.3
451.11115	1.1
453.08188	0.6
463.06519	1.6
465.08118	1.8
471.08243	0.4
475.06473	0.7
483.09085	0.4
487.06131	0.4
539.09717	0.3
541.07690	0.6
543.08716	0.3
547.08136	0.2
549.10291	18.6
550.10577	0.6
553.07513	0.5
555.09296	0.8
557.09198	0.3
559.08435	3.4
561.10211	0.8
565.09314	0.5
567.08954	0.3
571.08813	0.5
573.10071	2.0
577.09753	4.9
579.11859	1.5
583.08655	0.9
585.10101	1.6
589.09906	2.9
591.11121	1.2
595.10492	0.9
601.09509	1.4
603.11230	0.7
619.10486	0.3
691.10492	0.4
693.12354	1.1
709.11884	3.6
711.13605	3.6
721.11859	0.3
727.00952	0.5
727.12915	8.3
728.13159	0.6
729.14850	0.3
739.12994	0.5
745.12811	0.5
849.02277	0.2
878.98651	0.4
879.14117	5.8
880.13965	0.4
881.14722	0.4
897.15112	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	1049.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
74.11693	0.6
79.01863	0.9
79.05472	0.9
81.03401	2.0
81.53632	0.6
87.01365	0.6
89.03903	1.9
93.03407	0.7
95.04949	1.8
105.03341	1.1
107.04932	2.6
109.02882	4.1
111.00772	3.1
111.04432	8.1
115.05476	1.3
117.03324	1.1
117.06999	0.8
119.04971	0.7
121.02843	1.6
123.04420	19.9
125.02321	1.7
127.03909	26.5
131.04912	3.0
133.02869	0.8
133.06499	0.7
135.04408	25.8
137.02332	2.0
139.03894	41.3
140.04216	0.9
141.07016	1.3
143.03285	1.4
145.06461	1.8
147.04398	2.8
149.02338	6.9
149.06018	1.1
151.03897	15.4
153.01825	24.2
153.02896	0.9
155.03371	2.7
155.04900	2.7
157.06508	1.4
159.04407	2.9
161.06006	1.7
163.03896	23.3
165.01831	1.4
165.05472	0.9
167.03400	2.0
169.06474	1.2
171.04338	1.9
173.02377	0.9
173.05983	2.9
175.03918	2.5
177.05441	5.5
179.03387	10.3
181.04965	1.6
183.04382	4.0
185.05992	1.6
187.03917	3.6
189.01793	1.0
189.05406	1.6
191.03355	5.3
193.04938	1.1
197.05983	2.4
199.03868	1.6
201.05447	8.2
201.07167	1.0
203.03340	4.0
205.04985	4.5
211.03874	1.1
213.05455	4.2
215.03406	2.1
217.04942	2.9
219.02905	3.6
219.06525	1.9
225.05428	2.3
227.03368	2.6
229.04930	10.2
231.02921	1.2
231.06503	2.4
233.04454	1.0
237.03806	1.5
239.03363	1.1
241.04967	3.7
243.02859	0.7
243.06483	2.1
245.04469	10.5
247.06013	33.7
253.04987	2.1
255.02872	1.9
257.04477	7.5
258.05084	0.8
259.05988	4.0
261.03986	6.6
261.07404	3.2
263.05475	5.1
269.04410	3.4
271.05991	16.1
273.03894	6.9
274.04688	1.0
275.05414	5.6
281.04498	1.3
285.03909	6.8
287.05466	21.1
288.05652	1.1
289.07037	12.6
293.04456	0.8
297.03836	3.0
297.06964	0.9
299.05527	7.8
300.05850	1.2
301.06815	0.7
302.04047	1.2
303.04971	100.0
304.05344	4.8
305.06342	2.4
309.03854	1.3
311.05508	1.1
315.04959	22.8
316.05518	1.7
317.06567	2.2
319.05939	1.0
327.04956	7.0
329.06647	1.4
345.06052	6.5
351.04877	0.9
353.06540	1.3
355.04495	2.1
377.06494	2.6
379.04337	1.0
391.08133	0.8
393.06073	2.5
397.09174	1.0
405.05997	1.5
407.07574	0.9
409.09033	2.1
411.07098	0.9
411.26550	0.8
417.05930	0.9
419.07477	1.8
421.05411	8.6
423.06967	10.7
425.08640	1.9
429.07373	1.5
435.07083	2.0
437.08783	3.2
439.06461	7.3
441.08157	59.6
442.08215	2.9
447.06918	2.0
449.08377	1.7
451.06512	2.2
453.08252	7.0
465.08160	8.8
483.09033	5.5
559.08691	2.5
561.10156	2.4
573.10181	2.8
575.11902	1.5
577.09753	4.2
585.09906	1.2
589.09406	2.1
591.11273	6.9
601.09863	0.8
603.11249	1.8
619.10608	1.1
709.11340	2.1
711.13074	2.6
727.12457	1.8
729.13855	1.6
881.15747	1.2
906.60211	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1045.558
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02897	1.9
75.04475	2.7
79.05484	5.1
81.03417	1.8
81.07052	15.8
83.04976	8.1
83.08636	3.2
85.02898	42.5
86.03246	0.7
87.04436	1.1
89.02352	0.8
91.03947	0.8
91.05473	4.6
93.07034	11.8
95.01324	9.2
95.04955	1.6
95.08599	33.3
97.02884	5.5
97.10165	2.8
98.09921	0.6
99.00777	0.9
99.04455	1.0
103.03944	1.5
103.05447	0.7
105.06402	0.4
105.07019	11.8
107.04964	0.7
107.08590	18.3
108.09016	0.6
109.02850	1.4
109.06525	0.8
109.10146	22.5
111.04433	7.4
111.08060	3.4
111.11686	0.9
113.02367	1.6
115.83473	0.6
117.07030	0.8
118.70430	0.7
119.08572	15.3
121.10133	18.0
123.11701	8.7
127.03931	3.6
129.05478	9.5
131.03398	1.1
131.08586	4.6
133.10129	14.4
135.11691	12.6
137.09564	0.6
137.13264	2.6
139.11191	1.6
141.01823	26.7
143.08542	1.6
145.04942	3.6
145.10123	8.1
146.10770	0.6
147.06516	5.7
147.11681	14.4
149.13252	8.3
150.61464	0.6
151.11244	1.2
151.14793	0.7
157.04980	1.1
157.10143	3.3
159.02872	5.4
159.11685	10.2
161.13246	14.2
163.05984	3.1
163.14795	6.3
163.25836	0.6
165.07654	0.7
165.12750	1.1
171.11662	3.0
173.13268	6.3
175.14809	9.8
176.46249	0.6
177.03935	1.6
177.16396	10.2
179.17964	1.2
183.11717	0.9
185.13245	2.3
187.14830	7.1
189.16383	9.8
191.17932	4.4
193.15839	0.8
196.52742	0.6
197.13272	1.0
199.14793	3.5
201.16379	12.6
203.17952	15.8
205.15814	4.3
205.19525	3.5
207.17435	2.2
213.16316	3.3
215.17914	6.4
217.07103	0.7
217.15915	2.7
217.19492	11.5
219.17496	3.0
219.20998	0.7
221.19113	0.8
225.16365	0.8
227.17955	4.8
229.19534	6.2
231.17499	1.6
231.21060	2.1
233.18863	0.7
239.17955	1.0
241.19452	3.5
243.21078	6.8
245.19028	1.7
253.19534	1.3
255.21036	3.8
257.22610	4.2
259.08145	0.8
259.24326	0.8
261.22061	0.9
267.21021	1.8
269.06522	0.7
269.22635	4.2
271.24176	1.3
273.09616	0.7
281.22806	1.6
283.24179	1.4
285.22253	1.1
287.07468	1.2
289.39664	0.6
295.24121	1.6
297.25815	1.3
305.08603	4.4
307.44324	0.6
309.11786	2.3
309.25870	1.0
313.25247	0.9
327.26923	0.7
365.31955	5.8
403.33618	0.9
405.35135	23.1
406.35693	0.7
421.34604	2.6
423.36188	100.0
424.36688	4.5
441.37213	3.7
493.36716	0.9
511.37891	6.0
581.38379	10.2
582.38788	0.8
599.39307	10.0
619.32074	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83130	0.1
53.03945	0.2
54.49829	0.1
58.06173	0.2
58.06598	10.7
59.07379	2.7
60.08163	87.2
61.08507	0.7
62.92989	1.7
64.01902	0.8
65.85423	0.2
71.22841	0.2
71.23227	0.5
78.04712	0.6
79.05497	0.4
84.84676	0.2
86.09680	0.3
88.07618	0.2
95.04971	0.6
99.34467	0.2
103.05489	0.7
104.10741	100.0
105.04512	0.4
105.07037	0.9
105.11048	1.2
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
56.96576	0.3
58.06598	7.5
59.07377	2.9
59.18486	0.2
60.08162	71.2
61.08513	0.4
69.03429	0.9
69.73417	1.5
71.75643	0.2
80.58220	0.3
84.02502	0.2
86.06092	0.3
86.09688	0.3
87.04484	1.6
104.10741	100.0
105.11071	1.1
107.64584	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	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81247	0.6
58.06595	9.6
59.07375	2.1
60.08162	72.5
61.08499	0.7
62.92977	1.7
64.01875	1.2
69.93291	1.3
69.93684	1.8
78.04721	3.2
78.05102	0.5
88.69297	0.6
95.04961	1.0
103.05477	1.4
104.06252	0.8
104.10741	100.0
105.04495	0.8
105.07068	0.8
105.11071	1.7
108.26022	0.6
114.68946	0.6
123.01086	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.1
55.01880	0.1
58.06598	10.1
59.07380	3.0
59.93705	0.1
60.08162	77.3
61.07850	0.1
61.08496	0.8
62.92988	0.7
64.01898	0.4
70.90653	0.2
70.90993	0.3
71.07389	0.1
78.04716	0.9
79.05500	0.2
86.09699	0.3
88.07648	0.2
95.04948	0.3
103.05462	0.8
104.10741	100.0
105.04498	0.3
105.07019	0.4
105.10440	0.2
105.11064	1.5
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
50.82325	0.5
54.98124	0.6
58.06601	11.1
59.07379	2.9
60.08163	81.5
61.08513	0.6
62.92985	1.2
64.01899	1.6
71.01984	0.6
71.02319	1.4
74.25106	0.7
78.04700	1.1
79.05468	0.8
98.06147	0.6
103.05421	1.1
104.10741	100.0
105.04547	1.1
105.07046	1.0
105.11083	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	9.4
59.07373	2.5
60.08162	74.9
61.08513	0.7
62.92978	0.7
69.25356	3.2
78.04730	0.3
86.09715	0.3
89.84979	0.3
91.60142	0.3
98.21594	0.5
103.05484	0.4
104.10741	100.0
105.07021	0.3
105.11076	1.1
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
50.16590	0.1
58.06597	9.2
59.06935	0.1
59.07381	2.7
60.08162	73.5
61.08502	0.6
62.92982	0.4
64.01899	0.1
70.02947	0.2
71.08592	0.3
73.37234	0.1
78.04714	0.3
86.09695	0.3
97.81127	0.1
103.05453	0.2
104.10741	100.0
105.04479	0.2
105.06998	0.2
105.11055	1.1
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
51.06948	0.4
53.03957	1.1
54.87183	0.5
55.01864	0.8
58.06310	0.6
58.06600	12.2
59.07384	3.6
60.08163	91.8
61.08500	1.0
62.92994	1.8
64.01911	1.7
71.25447	1.0
71.25812	0.7
78.04713	2.2
79.05499	1.5
95.04967	1.6
103.05506	2.6
103.06053	0.5
104.06298	0.8
104.10741	100.0
105.04534	1.2
105.07020	1.7
105.11086	1.8
118.07375	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78867	0.2
58.06596	9.1
59.07381	2.8
60.08160	75.4
60.34887	0.2
61.08496	0.9
62.92987	2.5
64.01897	1.0
68.64984	0.3
71.25186	0.6
78.04701	0.8
79.05488	0.8
86.09692	0.6
86.90572	0.2
95.04973	1.0
103.05463	1.1
104.10738	100.0
105.04522	1.0
105.07034	0.9
105.11073	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1034.5891
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02923	4.0
79.05491	90.0
81.03417	27.8
81.07054	100.0
83.04977	17.0
83.08627	25.9
85.02908	17.8
85.06523	6.4
88.27415	2.2
91.03941	6.5
91.05477	97.5
91.51987	2.2
93.06474	4.6
93.07042	78.6
93.07630	3.8
95.01321	2.7
95.04970	32.0
95.08606	60.4
97.02902	14.2
97.06525	27.9
97.10170	20.1
99.04465	5.3
99.08099	4.3
103.05449	2.6
105.04517	4.8
105.07030	71.9
107.04960	23.3
107.08593	57.7
109.02894	3.6
109.06519	11.4
109.10161	46.9
109.73466	2.1
111.04446	2.5
111.08054	9.5
115.05444	3.7
117.07021	32.4
119.08575	54.0
121.06522	10.5
121.10137	28.4
123.08071	10.9
123.11698	6.4
125.09615	24.5
125.26353	2.6
127.03899	11.0
128.06215	3.9
129.05473	6.6
129.06995	10.7
130.07779	3.0
131.08556	34.9
133.06479	3.2
133.10130	47.1
135.08031	9.5
135.11688	20.9
137.09634	17.7
139.11169	3.3
141.06973	5.7
143.08559	11.9
144.09256	2.3
145.06465	2.9
145.10109	32.6
147.08041	6.3
147.11702	20.3
149.09618	34.6
149.13173	12.0
151.11174	6.5
155.08536	6.8
155.10683	4.9
157.10104	12.2
159.08084	3.3
159.11685	27.3
161.09596	5.3
161.13260	12.4
162.39494	2.2
163.11174	19.0
165.09154	2.1
165.12708	2.6
167.10706	2.3
169.10114	7.5
171.10219	2.9
171.11597	10.4
173.04449	3.9
173.11708	12.6
173.13275	11.9
175.11153	4.4
175.14830	3.9
177.12756	6.7
179.14363	10.4
181.12206	2.5
183.11691	9.4
185.13243	8.1
187.11165	4.7
187.14842	4.2
189.11235	15.7
189.12723	3.6
193.11919	2.3
195.11861	2.5
195.13815	4.5
197.13321	6.5
199.13200	2.4
199.14877	3.2
201.12781	2.6
201.16438	2.2
205.12247	4.2
207.13736	2.5
211.13252	2.4
219.13623	3.1
227.12743	22.4
227.17992	2.5
229.10727	2.0
229.14326	17.1
229.19472	4.9
239.17941	6.4
245.19164	2.9
247.20547	7.1
251.16409	2.1
255.15894	8.7
257.19009	18.0
258.91489	2.1
269.17410	12.7
273.18503	6.8
274.18726	2.6
275.20053	73.4
291.19534	13.4
293.21075	7.8
313.21640	3.4
321.24319	2.4
331.22653	6.5
347.22147	2.9
349.23752	71.7
350.24072	2.9
365.23312	5.5
367.24725	2.3
383.24155	3.9
385.13696	2.2
407.28027	3.1
409.25717	5.7
423.27432	12.0
445.29681	3.6
503.33728	13.9
517.34955	3.3
519.33325	4.5
527.37396	2.8
529.18481	2.4
529.34955	6.8
543.36884	21.9
559.36005	3.3
561.38141	3.3
567.32129	3.1
623.43219	21.5
641.43793	5.5
710.00104	2.3
911.14478	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	1033.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03909	0.6
79.01818	1.3
79.05476	0.7
81.03381	2.1
83.04928	0.7
89.03887	1.9
91.05453	0.6
93.03371	1.3
95.04934	2.1
95.66682	0.6
97.02847	0.7
103.05418	0.9
105.03410	0.6
107.01302	0.7
107.04942	3.3
109.02884	2.6
111.00782	2.5
111.03716	0.8
111.04439	13.0
115.05412	1.3
117.03353	1.7
119.04912	1.0
121.02834	2.0
123.04428	33.4
125.02357	0.9
127.03915	29.8
128.06183	0.5
131.04898	2.4
134.09390	0.4
135.04414	39.3
137.02373	2.7
137.03281	0.6
139.03896	35.4
141.06978	0.8
143.03336	1.9
143.04872	1.3
143.97256	0.5
145.02878	0.8
145.06491	1.4
147.04410	4.7
148.42247	0.5
149.02341	7.4
149.05986	1.2
150.03123	0.9
151.02739	0.9
151.03903	13.6
153.01822	26.3
155.03410	1.6
155.04865	2.9
155.05974	0.8
157.06465	1.5
159.04408	2.8
161.05972	2.4
162.03079	0.6
163.03908	28.0
165.05536	2.3
167.03459	2.4
169.05025	0.7
169.06448	1.5
171.04433	1.0
173.02357	1.0
173.05988	5.0
175.03891	1.7
177.01826	1.6
177.05470	6.1
179.03377	5.7
183.02904	0.8
183.04362	3.8
185.05949	1.7
187.02304	0.6
187.03828	4.3
189.01778	0.6
189.05432	2.1
191.03378	5.5
193.05013	0.6
197.05994	2.9
199.03883	1.6
201.05482	8.6
202.06293	0.6
203.03339	2.0
203.06973	1.2
205.04913	3.5
209.26862	0.5
211.03893	1.3
213.05467	3.2
215.03320	1.7
215.07037	1.5
217.04993	1.5
219.02951	3.1
219.06508	2.0
223.02249	0.9
225.05557	2.3
227.03413	2.2
229.04967	10.4
231.06522	1.9
233.04572	1.1
237.03813	1.2
239.03290	1.1
241.04932	3.7
243.02765	0.8
243.06519	3.2
245.04460	10.5
247.06013	48.9
253.04892	3.2
255.02849	3.1
257.04428	6.9
258.05090	1.7
259.05988	5.5
261.03897	7.4
261.07541	3.9
263.05634	1.0
265.05139	0.7
267.02853	1.2
269.04504	3.2
271.06009	19.7
272.06418	0.7
273.03912	7.8
273.07236	1.1
275.05408	3.7
279.06873	0.8
281.04468	1.1
283.06183	0.9
285.03912	5.4
287.05481	13.6
289.03809	0.8
289.07050	14.4
295.05978	0.8
297.03931	3.9
299.05496	6.2
302.04340	1.4
303.04977	100.0
304.05429	1.5
307.05905	0.7
309.03909	1.2
311.05560	0.9
315.04962	33.2
316.05576	1.4
317.06564	1.1
327.04977	10.9
329.06479	0.8
337.07224	0.6
345.06012	11.6
348.06238	0.9
349.07199	0.5
351.04962	1.3
353.06586	1.5
355.04462	4.0
365.06598	1.0
377.06540	2.2
379.04266	0.7
393.05841	3.2
397.09421	1.0
405.06042	1.7
407.07605	0.7
409.09259	0.6
421.05270	10.8
423.07062	16.0
425.08725	0.7
435.07123	1.4
439.06534	13.1
439.12033	0.9
441.08163	74.3
442.08658	1.6
447.06870	1.4
449.08795	4.2
451.06580	3.1
453.08127	6.0
457.06064	0.8
465.08221	3.5
467.09686	0.9
483.09256	5.4
557.10846	1.6
559.08716	4.6
561.10321	4.5
573.10388	3.2
575.11627	4.4
577.09766	6.1
585.09967	1.4
589.09601	1.6
591.11163	3.6
593.48907	0.6
603.11102	1.9
605.41205	0.5
619.10852	0.8
641.94476	0.6
693.13074	1.3
711.13049	2.3
729.14679	1.9
863.13483	1.0
865.15289	1.4
881.15393	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1033.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03878	0.3
79.01825	0.8
79.05462	0.5
81.03403	1.6
89.03881	0.8
93.03346	0.4
95.04942	0.8
97.02856	0.4
99.04428	0.3
103.05421	0.7
105.03349	0.5
107.04940	1.8
109.02867	1.5
111.00756	1.3
111.04429	4.1
115.05411	0.6
115.31259	0.2
117.03353	0.7
117.07001	0.7
117.87534	0.3
119.04895	0.7
121.02823	1.2
123.04420	20.3
125.02315	0.5
127.03910	21.5
131.04889	1.4
133.06476	0.3
135.04410	16.8
137.02266	1.2
139.03896	17.1
140.04184	0.2
141.07010	0.3
143.03354	1.0
143.04951	0.5
145.02826	0.5
145.06456	1.2
147.04396	3.5
149.02328	5.7
149.05959	0.7
149.38971	0.3
150.03085	1.0
151.03889	5.9
153.01822	15.0
153.02925	0.7
155.03389	0.6
155.04854	1.8
157.06421	0.8
159.04395	2.2
161.02272	0.3
161.05930	1.2
163.03903	13.1
165.01781	0.6
165.05434	1.3
167.03360	1.5
169.06464	1.1
171.04420	0.6
173.02267	0.3
173.05968	2.6
175.03865	0.9
175.07481	0.4
177.01820	0.6
177.05496	3.3
179.03392	2.4
181.04930	0.6
181.06517	0.3
183.04390	1.8
183.97655	0.3
185.05942	1.1
187.03859	2.5
188.04428	0.3
189.01811	0.8
189.05455	1.3
191.03407	3.2
191.06987	0.4
193.04927	0.8
197.05952	1.7
199.03879	0.8
201.03732	0.4
201.05473	4.2
203.03362	2.3
203.07018	0.8
205.04976	2.6
209.05986	0.4
211.03903	0.6
213.05443	1.9
215.03406	1.3
215.07039	0.9
217.04883	1.3
219.02928	2.8
219.06496	0.9
225.05450	1.5
227.03392	1.6
229.04955	7.2
231.02904	0.3
231.06477	1.0
233.04391	1.1
237.03793	0.7
239.03192	0.4
239.07040	0.3
241.05022	1.6
243.02786	0.7
243.06599	1.3
245.04424	3.6
247.06007	22.1
248.06409	0.4
253.04900	0.9
255.02841	1.2
255.06584	0.4
257.04428	8.3
258.05219	0.6
259.05991	2.5
261.03943	3.8
261.07565	1.5
263.05521	0.8
265.04953	0.9
267.02988	0.4
269.04391	2.8
271.06018	7.8
273.03900	4.7
273.07437	0.9
274.04608	0.6
275.05444	3.5
279.06421	0.5
281.04373	1.0
283.06021	1.5
285.03934	4.2
285.07202	0.4
286.04459	0.6
287.05478	7.7
289.07056	6.0
295.05948	0.6
297.03879	2.2
299.05472	2.2
301.06989	1.1
302.04388	0.5
303.04971	100.0
304.05270	2.2
307.05884	0.5
309.03879	0.9
311.05472	1.2
313.07104	0.4
315.04950	11.9
319.05865	0.5
321.03818	0.4
323.05377	0.6
325.06961	0.5
327.04922	5.3
339.04938	0.7
345.06210	1.0
349.06995	0.4
351.04718	0.6
352.94089	0.4
355.04422	0.6
357.06268	0.4
361.07178	0.5
363.05151	0.6
377.06476	0.3
379.04254	0.7
389.06580	0.6
391.07837	0.4
393.05643	0.5
405.06052	1.8
407.07855	0.7
409.09161	3.4
411.10956	0.6
417.06042	0.4
419.07596	0.4
421.04529	1.3
421.10010	0.7
423.07068	4.7
427.10440	0.3
433.05020	0.5
435.07010	1.9
437.08813	0.8
439.06198	1.4
441.08154	43.5
442.08630	0.7
447.07150	0.5
449.08813	2.0
451.06137	0.4
453.08157	4.1
463.06479	0.6
464.10437	0.3
465.08420	0.4
467.09854	0.9
477.07938	0.7
483.09085	4.4
531.27966	0.3
557.11340	0.5
559.08447	2.8
561.10266	1.6
567.09125	0.5
571.08368	0.9
573.10291	0.6
575.12061	2.1
577.09747	4.2
579.11237	1.2
585.10059	1.2
589.09503	0.9
591.11249	0.8
603.11353	1.9
619.10834	0.6
693.12469	1.7
695.14410	0.4
711.13129	2.2
713.15710	0.4
729.14801	1.6
863.14252	0.5
865.15656	1.2
867.08691	0.3
881.15100	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1033.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57800	0.5
73.26740	0.4
77.03938	0.5
79.05476	0.7
81.03407	0.9
91.05456	0.5
95.04957	1.0
107.04963	0.7
109.02850	1.0
111.00811	2.5
111.04440	2.4
115.05425	1.0
119.04968	1.1
121.02880	2.1
121.55683	0.4
123.04430	18.0
123.05328	0.9
125.02381	0.4
127.03911	11.7
128.06212	0.4
131.04887	0.4
133.02835	1.0
135.04410	5.1
137.02336	12.6
137.03406	0.9
139.03900	25.5
141.01765	0.4
141.06989	0.7
143.03372	0.5
143.04922	0.9
144.86971	0.4
145.02852	0.5
145.06493	0.9
147.04411	4.7
149.02336	6.0
150.03055	0.4
151.03900	6.3
153.01819	11.3
155.03381	2.3
155.04816	0.9
157.06465	1.0
159.04436	1.1
161.05981	1.7
163.03917	7.0
163.07550	0.5
165.01874	0.6
165.05470	0.9
167.03450	0.9
167.04878	0.6
169.06514	0.8
171.04370	2.0
173.05945	1.3
175.03883	4.0
175.07573	0.4
177.01837	0.8
177.05466	1.9
179.03386	7.7
183.04451	0.9
185.05975	2.6
187.03912	1.4
189.05469	4.4
191.03351	2.3
193.05042	1.6
197.05957	1.7
199.03937	2.1
201.05466	3.5
203.03395	7.0
203.07008	0.7
205.04904	0.9
211.03914	0.9
213.05455	4.9
215.03410	1.4
215.06958	0.6
217.04883	1.9
219.02849	1.4
219.06445	0.5
221.04364	0.8
225.05385	1.5
227.03369	2.1
229.04932	4.8
231.02921	0.5
231.06522	7.0
233.04402	1.3
237.05522	0.6
239.03452	0.5
241.04965	2.9
242.05553	0.6
243.02682	0.5
243.06494	1.4
245.04436	7.8
247.06006	8.2
253.05016	1.9
255.02887	0.7
255.06519	0.4
257.04446	16.1
258.05112	1.8
259.06012	6.7
261.03970	1.1
261.07578	0.5
263.05386	3.6
269.04434	6.1
270.04861	0.5
271.05963	4.8
273.03967	1.6
273.07501	1.6
275.05396	2.6
281.04391	1.9
283.06058	1.3
285.03958	2.5
285.07413	0.8
286.04410	0.6
287.05484	100.0
288.05832	2.5
289.07010	1.0
295.05927	0.7
297.03955	1.6
299.05487	12.0
301.07114	0.6
303.04959	24.7
304.05426	0.6
305.06516	2.7
307.05939	0.9
309.04047	0.7
311.05402	2.3
315.04904	3.5
317.06516	10.7
321.07416	0.5
327.05008	1.6
331.06049	0.7
335.05521	0.5
337.07010	0.7
349.07050	0.8
351.04947	0.7
361.06982	0.8
373.07016	1.0
376.05240	0.6
377.06525	1.6
387.04742	0.6
389.06516	0.9
391.08118	2.7
393.05957	0.6
395.07660	2.9
397.10034	0.5
401.06662	0.8
404.97040	0.4
405.06265	1.8
407.07538	1.5
409.09198	6.3
411.07315	0.5
413.03513	0.8
413.08685	8.4
417.06091	0.8
419.07623	1.5
421.09192	0.7
423.07053	3.8
425.08722	3.4
429.06122	0.7
435.07043	1.7
437.08560	0.6
439.06210	0.5
441.08206	10.1
441.25128	0.5
447.07047	2.9
449.08499	0.7
451.10529	0.6
453.07996	0.7
465.08160	1.2
483.09045	0.9
525.08252	1.1
543.09216	3.2
549.10297	12.2
550.09882	0.5
555.09027	0.8
561.10272	5.0
567.09100	0.5
569.10675	0.9
573.10315	4.1
575.11487	0.6
577.09381	1.2
579.11163	1.4
585.09985	1.5
591.11096	0.6
603.11359	0.7
647.81909	0.4
676.12189	0.5
677.12579	1.7
693.11853	1.3
695.14081	5.0
711.13464	3.4
713.14539	0.5
787.39954	0.5
847.14612	3.3
865.15997	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	1033.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03934	0.3
79.05537	0.2
81.03418	0.6
89.03918	0.4
91.05469	0.6
93.03400	0.3
93.09947	0.2
95.04982	0.8
97.02911	0.3
103.05477	0.6
105.03381	0.5
107.01273	0.2
107.04951	0.7
107.18159	0.2
109.02847	0.6
111.00796	2.4
111.04422	0.7
115.05446	0.7
115.27170	0.2
117.03412	0.3
117.07009	0.2
119.04926	0.5
121.02878	1.4
123.04421	15.0
125.02309	1.0
127.03896	4.9
131.04904	1.1
133.02849	0.7
133.06479	0.4
135.04405	4.8
137.02344	1.7
137.05971	0.2
139.03891	12.2
141.07031	0.3
143.03424	1.0
143.04927	0.4
145.02803	0.3
145.06485	1.0
147.04401	4.0
149.02327	5.0
149.03488	0.3
149.05966	0.6
150.03117	0.6
151.03896	2.9
153.01819	14.4
153.02847	0.6
153.06996	0.4
155.03384	1.2
155.04886	0.9
157.06477	0.6
159.04376	1.2
161.02293	0.7
161.05995	1.4
163.03897	9.8
164.04172	0.2
165.01831	0.7
165.05457	1.0
167.03391	0.7
167.04822	0.2
169.06462	0.5
171.04401	0.4
173.02252	0.2
173.05991	2.1
174.03172	0.2
175.03902	2.3
177.01805	0.6
177.05492	1.9
179.03406	2.8
181.05000	0.4
181.06482	0.8
183.04375	1.0
185.05872	0.9
187.03870	2.7
187.07564	0.2
189.01770	0.3
189.05452	2.7
191.03383	4.9
191.05066	0.3
193.04993	1.4
197.05984	1.1
199.03862	0.9
199.07530	0.3
200.04633	0.3
201.01851	0.2
201.05461	3.4
203.03358	4.4
203.07031	0.5
205.04918	1.7
207.02867	0.8
207.06403	0.2
209.05934	0.4
211.03917	0.6
213.05463	1.9
215.03358	2.3
215.06953	0.5
217.04988	1.5
219.02876	3.7
219.06274	0.3
221.04309	0.2
221.06194	0.2
223.02330	0.4
225.05446	0.9
227.03413	0.7
227.06981	0.5
228.04269	0.3
229.04944	7.9
230.05338	0.3
231.02888	0.7
231.06502	0.5
233.04390	1.7
237.03874	0.8
237.05617	0.7
239.03416	0.7
241.04930	1.6
243.02898	1.0
243.06549	0.5
245.04417	4.5
246.04916	0.2
247.05998	10.5
248.06439	0.2
249.05432	0.2
253.05045	1.3
255.02931	0.3
255.06499	1.5
257.04434	23.2
258.05087	1.0
259.05957	3.3
261.03842	2.7
263.05173	0.8
265.04916	0.6
267.06503	0.5
269.01508	0.3
269.04431	3.8
271.02988	0.4
271.05975	6.5
273.04004	1.0
273.07571	1.5
274.04736	1.0
275.05405	4.8
277.04922	0.3
279.06476	0.5
281.04501	1.1
281.07538	0.2
283.05951	6.0
284.03427	0.2
284.06400	0.3
285.03958	4.5
285.07458	0.6
286.04712	0.3
287.05466	9.7
288.05801	0.3
289.07053	1.8
291.06558	0.3
293.04269	0.3
295.02753	0.2
295.05923	0.8
297.03909	1.1
297.07498	0.5
299.05450	2.8
301.03653	0.4
301.07025	7.9
302.04047	0.4
303.04965	100.0
304.05267	2.4
305.04327	0.3
305.07925	0.3
307.05930	0.7
309.03842	0.7
309.07291	0.3
311.05478	0.8
313.03595	0.3
313.07034	0.4
315.04889	1.5
317.06671	0.4
319.05963	0.6
321.03830	0.4
321.07419	0.4
323.05490	0.6
325.03516	0.3
325.07101	0.7
327.04831	0.9
331.05969	0.4
333.07437	0.3
335.05508	0.5
337.03372	0.2
337.07007	0.2
339.05096	0.3
343.05029	0.3
345.07544	0.6
347.05338	0.4
348.06293	0.3
349.07040	0.8
351.04892	0.6
352.05847	0.2
353.06537	0.3
355.04678	0.2
359.05493	0.4
361.07040	0.6
363.04919	0.4
365.06540	0.6
367.04196	0.2
373.07028	0.6
375.04724	0.4
375.08911	0.2
377.06387	1.0
379.08215	0.4
381.05862	0.3
387.04718	0.3
389.06442	1.3
391.08200	4.5
393.05707	1.1
393.10056	3.6
395.07596	0.6
397.09286	0.3
401.06592	0.8
403.03793	0.3
403.08505	0.4
405.06079	1.6
407.07581	1.1
409.09210	9.0
410.09302	0.3
411.06622	1.5
411.11627	0.3
413.08823	0.3
417.05911	0.7
419.07721	0.9
421.04907	0.3
421.09741	0.4
423.07135	2.3
425.08588	0.5
429.08246	4.0
431.07416	0.2
433.05200	1.2
435.06720	1.2
435.10916	1.2
437.08627	0.8
441.08206	0.9
443.07697	0.2
445.05142	0.9
447.07187	2.0
449.08578	0.2
451.06665	0.6
453.07980	0.3
458.77121	0.2
463.06461	1.6
465.08127	1.0
471.08380	0.3
485.08569	0.2
509.08078	0.2
513.08063	0.4
523.09882	0.3
525.07556	0.2
527.09601	0.2
529.06366	0.2
531.08765	0.5
531.57172	0.2
539.10168	0.2
541.07977	0.6
543.09204	0.4
545.10339	0.3
549.10254	18.0
550.10486	0.6
553.07556	0.4
555.09088	0.7
557.07745	0.6
559.08575	4.3
561.10199	5.6
563.11658	1.2
567.08856	0.5
571.08807	0.8
573.10089	1.7
577.09900	0.9
579.11432	1.0
585.10010	2.2
589.09741	4.6
590.09827	0.2
591.10797	0.7
597.09760	0.5
601.09540	0.5
619.09961	0.3
675.10773	0.4
693.12225	3.6
711.13391	11.0
712.13220	0.5
723.12781	0.3
729.13397	0.5
863.14441	6.4
864.14221	0.4
881.15521	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	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	3.5
53.03709	1.3
53.03946	20.8
55.01867	1.1
56.05029	1.2
56.96563	2.5
57.03423	1.2
57.05383	0.7
58.06586	2.5
59.06119	4.4
60.02136	1.8
60.04533	1.5
60.08158	8.1
60.95844	2.5
62.06099	1.7
62.08984	0.7
62.92981	1.3
69.03422	1.0
71.58226	1.1
72.02481	0.7
77.03934	4.0
81.03392	2.1
85.02899	0.9
86.06069	2.2
87.04445	1.9
88.01611	1.3
95.04964	52.4
101.74290	0.7
102.04694	5.5
103.03975	2.8
103.05462	100.0
103.08694	2.1
103.09423	0.9
104.05801	2.0
104.10738	14.1
105.04514	9.2
114.38503	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	1.4
51.02377	6.2
53.03945	31.5
53.25964	0.6
55.01867	1.5
56.05035	3.6
56.96552	1.2
57.03413	0.9
57.04546	1.0
57.05380	3.0
57.32456	0.6
58.02960	0.8
58.06601	3.7
59.06118	4.9
60.02133	1.8
60.04524	1.4
60.08176	3.2
60.95851	1.9
62.06087	9.8
62.92990	1.4
69.65652	0.5
70.64561	1.7
73.07690	1.1
75.04479	0.6
75.05605	1.7
77.03934	6.3
81.03408	2.6
85.07668	2.4
86.06065	6.2
88.01608	1.8
95.04964	74.2
102.04677	7.7
103.03972	2.3
103.05466	100.0
103.08693	15.6
104.05811	1.3
104.07113	1.4
104.10762	5.0
105.04518	12.8
120.97867	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57632	0.6
71.58040	1.3
76.64712	0.8
77.03936	1.3
77.57359	0.9
79.01854	1.8
79.05476	1.2
81.03430	3.7
83.04977	1.9
85.02886	1.9
89.03913	3.4
91.05474	1.7
95.04945	4.8
97.02893	1.0
99.04450	1.0
103.05473	1.5
105.03359	1.1
107.04945	6.8
107.44449	0.8
109.02860	2.5
111.00797	6.9
111.04435	13.6
115.05471	1.8
116.55563	0.7
117.03370	2.1
119.04942	2.1
121.02872	2.9
123.04419	100.0
124.04787	1.0
127.03907	73.6
131.04921	3.4
135.04408	71.1
136.04720	1.4
137.02327	6.4
137.06018	0.8
139.03891	57.4
141.06963	1.8
143.03352	1.2
143.04977	1.6
145.02829	1.4
145.06511	1.8
146.20480	0.8
147.04416	8.9
149.02321	6.2
149.05984	1.8
150.03088	1.4
151.03891	23.0
152.04410	0.8
153.01831	11.7
155.04919	3.0
157.06445	1.7
159.04440	5.0
161.02332	1.1
161.05977	3.4
163.03900	56.7
165.05492	3.2
167.03378	6.2
169.04951	3.9
169.06473	2.6
173.05951	5.8
175.03847	5.8
177.05443	8.0
179.03391	11.2
181.04945	1.9
181.06441	1.9
183.04398	2.6
185.05968	3.9
187.03883	8.2
187.07558	1.1
189.01826	1.6
189.05481	6.7
191.03401	10.7
193.04996	4.9
193.06416	1.0
197.05930	5.7
199.07552	1.0
200.04620	0.7
201.05452	10.7
203.03369	16.9
203.07053	1.8
205.04933	2.6
213.05449	3.0
215.03433	3.6
215.06992	3.7
217.04887	2.7
219.06557	1.8
221.06073	1.6
223.02304	4.0
225.05486	3.1
227.03389	1.8
227.06985	1.3
229.04939	13.8
231.02977	1.2
231.06432	4.0
233.04388	4.8
235.02269	1.5
237.05389	2.1
239.07112	1.3
241.04979	3.1
243.06482	5.7
245.04437	55.3
246.04736	1.2
247.05997	49.2
249.05423	1.2
251.05344	1.1
253.04935	3.5
255.06337	3.7
257.04456	17.3
258.05081	2.2
259.06006	10.9
261.07605	4.6
263.05554	1.9
265.04895	2.3
267.06592	1.7
268.07422	1.0
269.04440	9.0
270.05072	1.4
271.05991	34.8
272.06363	1.8
273.04062	1.4
273.07544	9.6
274.04633	1.4
275.05438	12.8
281.04315	3.8
283.05963	13.2
285.04071	1.6
285.07556	3.5
287.05453	22.1
289.03796	1.8
289.07028	32.8
291.08804	1.8
293.08221	0.9
295.06039	5.3
297.03812	2.3
297.07291	1.6
297.73724	0.8
299.05460	7.4
301.07022	16.9
303.05185	1.0
307.05933	1.6
309.04401	1.6
311.05472	4.5
311.08618	0.9
313.07028	4.5
315.08682	1.2
317.06375	2.2
321.07443	1.5
323.05496	3.7
325.07166	1.4
327.04852	0.8
331.08142	4.3
333.07413	1.1
335.05426	1.3
345.07260	1.2
347.05536	1.1
349.07083	0.9
351.04919	1.5
359.07574	1.0
361.07031	2.7
363.04880	1.1
365.06476	2.7
373.06946	0.8
379.08127	6.2
381.09641	1.0
383.07715	2.1
389.06509	1.6
390.88336	0.8
391.08160	6.3
393.05899	3.1
393.09695	2.7
395.07477	1.6
397.09003	2.4
401.06418	0.9
403.08334	1.1
405.05838	3.2
407.07617	19.1
408.07675	1.0
409.09192	37.3
410.09396	1.7
415.08118	0.8
417.05612	1.3
419.07498	5.9
421.09174	4.9
425.08588	9.3
427.10147	7.8
431.07437	3.4
433.09171	5.2
435.11102	2.2
437.08664	6.1
439.10321	0.9
443.09769	5.8
449.08447	3.5
451.10239	7.7
452.11063	1.1
517.11230	1.4
527.09674	4.4
529.10809	1.2
535.12384	1.6
541.11023	2.2
543.12726	1.2
545.10730	3.8
553.11224	2.4
557.10388	1.5
559.12164	3.1
561.10358	1.7
563.11768	2.8
571.12280	4.1
577.13232	2.7
579.10919	4.0
603.10754	1.4
621.11456	1.2
679.14166	1.7
697.12109	2.9
723.12982	1.6
731.15833	1.5
831.15179	1.2
849.15961	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.222
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57744	0.5
76.58573	0.4
77.03933	1.6
79.01846	0.9
79.05468	2.0
81.03414	5.1
83.04983	1.0
85.02907	1.4
89.03904	3.6
91.05472	1.4
93.03397	1.0
95.04975	4.6
95.05575	0.6
97.02896	0.4
99.04443	1.1
103.05472	1.5
105.03393	2.4
105.04523	0.4
105.07040	0.4
107.04947	6.9
109.02874	4.7
111.00802	8.3
111.04438	10.3
112.56212	0.4
115.05453	1.6
117.03368	2.1
117.07024	0.9
119.04924	1.6
121.02879	2.0
123.04421	100.0
124.04788	1.1
125.02364	0.9
127.03909	94.6
128.04242	0.8
129.07030	0.5
131.04936	3.6
133.02827	0.4
133.06493	0.6
135.04407	66.9
136.04747	0.9
137.02321	5.5
137.05980	1.1
139.03893	48.0
140.04257	0.8
141.01773	0.4
141.06953	1.8
143.03374	1.2
143.04950	1.3
145.02808	1.3
145.06485	1.7
147.04395	9.8
149.02333	7.7
149.05963	3.2
150.03151	0.8
151.03897	19.0
152.06154	0.4
153.01831	10.3
153.02852	0.4
153.05478	0.6
153.06995	1.0
155.03476	0.5
155.04901	1.8
157.06462	1.5
159.04391	4.7
161.02338	1.5
161.05963	4.9
163.03896	61.5
164.04327	1.2
165.01834	0.8
165.05508	4.3
167.03401	6.6
167.04787	0.6
169.04958	2.6
169.06479	3.0
171.04445	0.9
173.02333	0.8
173.05962	5.6
175.03893	5.0
175.07460	0.7
177.01936	0.5
177.05466	8.3
179.03400	9.5
181.04926	1.2
181.06503	1.8
183.04393	3.3
184.05075	0.5
185.06010	3.0
187.03874	9.0
187.07510	0.9
189.01831	0.6
189.05467	5.3
191.03383	11.2
191.07043	0.6
193.04970	4.0
197.05946	6.6
199.03946	0.8
200.04636	0.5
201.05460	13.1
203.03383	18.1
203.07004	2.3
204.03850	0.6
205.04976	3.4
207.02875	1.5
209.05946	1.0
211.03860	0.9
211.07321	0.4
213.05444	3.5
215.03392	4.1
215.06921	3.2
217.04948	4.2
219.06529	1.4
221.04300	0.4
221.06142	0.6
222.85234	0.4
223.02263	2.3
225.05440	3.6
226.06122	0.7
227.03395	1.6
227.06975	1.3
229.04938	13.4
231.02846	1.0
231.06523	3.3
233.04454	5.4
235.02377	0.8
237.05443	2.2
239.03293	0.4
239.07082	0.8
241.04951	4.0
242.05768	0.6
243.02968	0.8
243.06479	6.4
244.03697	0.7
245.04442	66.0
246.04689	1.7
247.06004	56.0
248.06358	1.5
249.05508	0.4
251.05525	1.6
253.04947	3.2
255.06512	4.7
257.04431	18.5
258.05035	1.7
259.05994	9.1
261.07550	3.4
263.05573	1.6
265.04968	2.5
267.03271	0.3
267.06482	1.7
269.04446	9.2
270.05066	1.3
271.05984	31.0
272.06448	1.0
273.03976	1.4
273.07544	7.6
274.04669	2.4
275.05475	20.2
277.04840	0.6
279.06561	0.9
281.04459	2.8
281.07541	0.6
283.05988	15.8
284.06516	0.5
285.03879	2.0
285.07550	2.3
286.04578	0.8
287.05469	24.5
288.05820	1.0
289.07037	25.2
291.08566	1.7
293.04425	0.9
293.07672	0.4
295.05972	4.0
297.03918	2.2
297.07547	1.6
299.02335	0.6
299.05481	6.7
301.07050	16.2
303.05060	1.1
305.04388	0.5
305.08160	0.6
307.05981	2.0
309.03967	3.5
309.07214	0.6
311.05557	3.3
311.08664	0.7
313.06982	3.1
315.08731	0.8
317.08078	0.6
319.06082	1.0
321.03854	0.8
321.07489	1.1
323.05420	3.2
323.08826	0.5
325.07071	1.1
327.05005	0.4
329.06534	0.6
331.08044	1.4
333.07468	1.0
335.05420	1.2
335.09241	0.5
337.07196	0.6
339.04886	1.0
339.08740	0.5
341.06720	0.7
345.07629	1.2
349.06882	1.1
351.04935	4.0
361.07047	2.3
363.04779	1.1
363.08832	0.8
365.06442	2.0
367.08014	1.2
373.06934	0.8
375.04852	0.8
376.05814	0.8
377.06467	1.7
379.08041	3.6
383.07465	2.1
389.06390	3.1
391.08124	5.1
393.05417	3.4
393.10654	2.1
395.07431	1.9
396.08212	0.7
397.09247	5.7
401.06381	0.9
403.08173	0.8
405.05896	5.4
407.07599	21.4
408.07968	0.7
409.09161	30.1
410.09146	0.5
411.10583	0.5
417.05637	1.1
419.07562	4.7
421.09262	3.3
423.06522	0.5
425.08688	6.5
427.10263	6.5
431.07584	1.1
433.09094	2.3
435.11087	2.7
437.08691	6.6
439.09985	1.2
443.09756	4.6
449.08484	2.1
451.10187	3.9
485.09619	0.4
517.11255	2.4
527.09644	4.3
529.11127	0.7
535.11859	1.6
539.09570	0.5
541.11041	1.2
543.12494	1.4
545.10809	2.9
553.10931	1.1
557.10602	1.3
559.12341	0.8
561.10602	1.2
563.11548	2.7
571.12708	1.9
577.13049	0.6
579.11230	2.9
587.11951	0.4
661.13379	0.8
679.13733	1.2
697.11774	3.1
723.13007	0.5
731.15430	1.3
831.14856	0.8
849.16010	2.9
851.18103	0.5
867.16797	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5944
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04987	6.2
73.02934	3.6
79.05148	2.0
79.05492	83.1
81.03419	14.9
81.07056	94.9
83.04974	12.3
83.08614	13.1
85.02898	22.2
85.06547	4.6
91.03946	6.3
91.05481	100.0
93.07044	84.6
95.04968	21.0
95.08606	63.4
97.02892	17.2
97.06540	16.4
97.10184	5.7
99.04427	3.3
99.08083	5.9
103.05441	4.8
105.04432	2.0
105.07030	79.0
107.04956	9.0
107.08593	44.0
109.02902	3.1
109.06534	10.9
109.10156	22.9
111.04465	2.3
111.08082	6.4
115.05464	5.2
117.07020	37.0
119.08588	60.5
121.06510	3.5
121.10142	33.7
123.08086	8.9
123.11726	7.8
125.09650	4.9
127.03915	6.7
128.06233	8.4
129.05486	4.1
129.07001	25.7
130.07838	2.6
131.04854	3.1
131.08577	47.9
133.06523	4.3
133.10127	41.5
135.08052	5.3
135.11691	17.3
136.55948	1.9
137.09605	4.5
141.07013	8.7
142.07785	4.8
143.08551	25.0
144.09399	1.9
145.04993	6.6
145.06448	2.6
145.10133	34.4
147.08070	2.3
147.11681	35.9
149.09622	11.7
149.13254	16.0
150.38509	2.0
151.11151	3.6
154.07755	2.3
155.08549	13.5
157.10107	22.4
159.08113	2.5
159.11685	30.3
161.09641	4.1
161.13248	16.6
163.05951	3.0
163.11166	6.4
167.08582	6.0
169.10117	13.9
170.11049	2.6
171.11720	23.9
173.13286	14.4
175.11246	1.9
175.14859	4.8
177.12788	4.6
179.08559	2.4
179.14290	2.1
181.10126	8.4
182.10892	2.8
183.11682	17.1
185.13272	11.9
187.14880	5.4
189.12805	2.8
195.11707	7.9
195.13857	3.7
197.13301	11.7
199.14798	6.0
201.16479	2.3
207.11777	3.4
209.13245	7.0
211.14836	5.6
213.16420	5.6
215.17879	2.4
221.13338	3.4
223.14871	3.7
225.16415	4.3
229.19662	2.6
237.16536	4.2
239.17937	3.5
241.19557	7.3
250.50140	1.9
257.19040	6.8
259.20596	23.5
261.22113	2.6
269.17545	17.1
275.20236	11.4
279.21112	2.1
281.17654	3.0
283.20538	2.7
313.21637	2.8
315.23346	3.5
330.42242	2.1
333.24191	16.8
335.25885	3.1
349.23831	7.1
356.99628	2.0
435.32605	3.6
445.29013	2.7
463.31018	3.3
475.30389	3.0
513.35895	3.9
517.39685	3.6
525.36249	3.0
527.37299	15.5
545.38202	2.7
607.43463	4.0
609.45197	29.0
610.45630	2.5
625.44470	5.0
670.94214	2.7
771.49292	2.4
1004.35486	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	1018.5933
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04984	6.1
73.02901	4.9
77.03895	2.5
79.05067	3.8
79.05491	52.8
81.03411	9.7
81.07057	69.2
83.04958	8.8
83.05432	2.9
83.08609	13.8
85.02914	19.5
85.06511	3.3
91.03941	9.6
91.05476	35.5
93.07041	51.7
95.04445	2.6
95.04943	13.6
95.08612	37.8
97.02881	10.9
97.06530	6.2
97.10170	18.2
98.85665	3.0
105.07035	19.8
107.04962	3.8
107.08598	29.2
109.10147	63.6
111.08075	6.5
117.07011	6.7
119.08574	16.7
121.10138	17.6
123.11691	7.7
125.09642	13.6
131.08563	11.1
133.10114	10.0
135.11652	15.7
137.13264	3.3
139.11304	3.3
145.10114	11.8
147.11670	7.8
149.13252	3.8
155.10651	4.3
159.11697	4.6
161.13239	5.7
163.11159	6.3
163.14697	3.0
173.09497	3.0
173.11734	15.9
173.13120	5.4
186.31238	2.8
192.29019	3.0
199.13344	5.1
209.11726	6.5
220.24379	2.7
224.60989	2.5
227.12746	9.2
227.99344	3.8
229.14349	55.4
243.21135	5.9
261.22226	18.7
267.15872	4.3
283.15524	2.8
299.55356	2.6
301.16440	10.8
302.03815	3.2
335.25800	100.0
399.23721	11.5
451.31747	3.2
477.35703	4.5
489.35776	30.4
533.28534	3.3
543.36414	4.1
561.37714	8.0
579.38837	5.1
659.45093	38.7
752.52734	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	1018.5941
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04981	8.1
73.02908	5.0
77.03934	2.1
77.41365	2.4
79.05489	67.5
81.03435	8.5
81.07057	69.5
83.04960	5.9
83.08611	14.5
85.02896	16.0
85.06539	9.2
91.03968	8.2
91.05479	100.0
93.07041	68.7
95.04977	21.1
95.08601	55.2
97.02876	11.3
97.06525	10.3
97.10168	7.3
97.23935	2.1
99.04449	3.4
99.08101	13.4
103.05467	5.3
105.07028	84.3
107.04970	8.0
107.08595	38.5
109.06514	17.8
109.10158	18.2
111.08084	9.1
113.09656	4.9
115.05440	10.0
116.06211	2.5
117.07018	55.2
119.08578	69.7
121.06515	2.9
121.10123	22.3
123.08085	7.7
123.11737	4.7
125.09637	3.1
127.03920	8.7
128.06235	13.5
129.05566	2.5
129.07001	43.1
129.07924	3.7
130.07793	7.0
131.08566	58.4
133.06503	4.1
133.10126	36.7
135.08054	12.0
135.11702	11.1
137.09669	5.1
141.06975	15.0
142.07773	7.8
143.08556	36.7
144.09244	3.4
145.04927	3.7
145.06476	2.4
145.10123	58.5
147.11699	25.8
149.09612	11.0
149.13243	6.4
151.11218	3.6
153.07007	4.6
154.07771	3.2
155.08553	25.6
156.09366	3.9
157.10133	33.3
159.08060	5.2
159.11673	50.2
161.09647	6.1
161.13278	9.5
163.06032	9.3
163.11330	4.2
165.06973	2.8
165.12743	2.3
167.08582	8.8
168.09323	3.8
169.10115	31.3
171.11685	27.5
173.09695	2.8
173.13248	21.4
175.11182	7.5
175.14810	7.9
177.12753	6.6
179.08575	6.1
180.09386	2.9
181.10130	18.9
183.11678	23.1
185.13251	35.6
187.11099	2.9
187.14827	8.9
188.12077	2.5
189.12718	4.3
193.10147	9.1
195.11732	16.5
197.13203	18.1
199.14816	8.0
201.07613	2.7
201.12784	4.6
201.16516	3.6
203.14304	14.1
205.10205	2.9
205.15784	3.1
207.11697	6.8
209.13263	9.6
211.11212	3.2
211.14845	6.2
213.16458	5.2
217.15863	3.8
219.11696	3.6
219.17482	6.9
221.13341	7.9
223.14917	10.0
225.12819	3.0
227.12669	2.7
227.17958	2.6
229.19545	3.8
233.13274	6.4
235.14825	4.4
237.16391	7.4
239.18066	11.5
241.15845	2.7
249.16316	4.3
255.17403	7.7
257.19034	24.4
259.20557	3.6
261.16422	2.5
261.22147	5.1
263.17746	3.2
267.17422	2.9
273.18533	7.5
275.17554	2.2
275.20114	29.0
277.17889	2.5
277.21643	4.5
287.20074	2.5
291.19550	3.7
295.20538	2.9
299.20053	4.7
307.20569	2.5
309.21933	2.9
323.23529	3.8
325.21521	3.0
331.22766	8.4
341.25366	2.4
347.22607	5.3
349.23727	37.3
353.26749	2.7
373.24298	2.6
381.27866	2.5
387.26825	2.7
405.27844	3.4
419.29138	3.1
438.26065	2.2
459.32468	7.9
473.33807	3.1
477.33597	2.4
479.35318	2.6
497.32407	7.8
511.34244	2.9
513.36865	7.4
527.37170	4.6
531.38068	6.4
533.36163	3.2
537.35339	4.0
539.37152	6.1
549.39471	4.6
551.37213	17.6
553.38861	5.0
555.37006	6.1
565.38715	7.8
569.38251	18.1
583.40082	2.8
605.42432	18.2
623.43011	58.7
641.44403	13.8
713.43347	2.8
749.45428	3.1
767.46790	6.5
779.42279	2.6
785.47571	4.5
870.19464	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	1018.5945
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04996	5.8
73.02917	3.1
73.42354	1.1
77.03911	1.2
79.05489	77.4
81.03413	19.5
81.03857	2.1
81.07054	100.0
83.04977	16.1
83.08617	16.4
85.02908	12.5
85.06535	4.9
91.03939	3.5
91.05478	69.7
93.07039	75.8
95.04971	22.2
95.08602	46.2
97.02880	10.9
97.06532	21.3
97.10172	16.0
99.04468	2.7
99.08092	4.0
103.05451	2.8
105.04542	2.8
105.07027	58.3
107.04951	17.9
107.08590	54.5
109.02876	4.1
109.06525	10.0
109.10143	19.5
111.04434	2.6
111.08092	8.2
111.11715	1.5
113.09651	3.0
115.05465	3.5
116.06207	1.7
117.07009	26.6
119.04921	1.5
119.08579	39.8
121.06502	8.9
121.09309	2.5
121.10140	26.6
121.11028	1.5
123.04427	2.3
123.08054	6.7
123.11688	6.8
125.09636	14.4
127.03938	5.8
128.06216	3.5
129.07002	11.9
130.07797	2.3
131.04933	2.0
131.08563	33.8
131.09525	1.8
133.06479	3.1
133.10129	33.0
135.08057	8.1
135.11684	25.5
137.09641	6.3
137.13306	1.4
139.11183	3.1
141.06953	5.2
142.07782	2.0
143.08514	12.2
144.09329	1.3
145.05013	2.4
145.06470	3.1
145.10124	27.6
147.08052	3.6
147.11691	18.9
149.09615	23.7
149.13251	12.3
151.11189	4.9
153.09079	2.2
155.08585	7.8
156.09334	1.8
157.06528	1.3
157.10120	10.9
159.08098	2.1
159.11694	23.5
159.12901	0.8
161.09645	3.5
161.13242	7.1
163.11180	12.5
165.09084	1.4
165.12807	2.8
167.08577	2.7
169.10150	5.6
171.11713	7.0
173.04478	4.0
173.09601	3.0
173.11862	1.8
173.13228	9.2
174.31079	1.3
175.11160	3.6
177.12799	5.6
179.14351	4.2
181.10120	2.9
181.12111	1.4
183.11729	5.2
185.13252	4.5
187.11179	4.0
187.14822	2.5
189.11226	6.0
189.12708	2.3
189.16301	1.3
191.14340	1.3
193.10123	1.2
195.11777	3.2
195.13832	6.9
197.13263	4.2
198.30653	1.3
199.14825	2.4
201.12717	2.3
201.16371	2.0
203.14410	1.5
205.12335	1.2
209.13179	2.8
211.14891	2.4
225.16489	1.7
227.12740	14.9
229.14352	3.4
229.19543	4.2
231.13651	1.2
231.17337	1.5
233.15392	1.9
239.17938	6.5
247.20575	2.8
253.14326	2.2
253.17981	2.6
255.15874	12.1
257.19037	13.9
259.20551	2.2
267.15912	4.6
269.17471	37.9
273.18420	1.7
275.20047	57.8
291.19498	1.5
293.21179	5.5
313.21579	1.9
319.99200	1.3
321.24457	1.8
331.22742	2.5
349.23737	48.8
367.24875	6.5
395.20416	1.5
413.21750	1.8
423.27454	2.7
433.31396	1.6
435.27499	3.2
439.26837	1.6
445.29526	2.1
447.31387	1.7
449.28946	20.4
461.29108	1.4
463.30457	22.9
469.33249	1.6
471.30798	2.0
496.85574	1.4
503.33563	4.0
519.33173	1.8
525.35748	7.0
527.36981	1.7
529.35242	12.8
543.36810	53.4
547.35992	2.3
561.37939	6.0
583.30469	1.9
595.43774	1.2
607.34668	2.9
623.42902	17.1
632.77209	1.4
641.44061	8.0
651.39709	1.2
659.45038	1.7
676.47278	1.4
687.40771	4.5
705.41150	1.6
1018.55847	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5938
Annotation	Unknow
Peak:m/z	Relative Intensity
70.64806	3.1
70.65165	3.4
70.68819	1.3
71.01357	1.5
71.04995	7.3
73.02917	2.4
76.82270	1.2
77.03905	2.9
79.05491	78.2
80.99564	1.4
81.03414	18.6
81.07056	100.0
81.35519	1.2
83.04986	14.1
83.08615	19.1
85.02907	13.6
85.06533	4.0
91.03948	2.4
91.04895	2.1
91.05479	72.6
93.07041	75.7
95.04967	20.4
95.08607	44.3
95.09232	1.7
96.05309	1.4
97.02892	8.4
97.06525	20.4
97.10167	17.2
99.04463	2.4
99.08083	5.5
103.05407	1.9
105.04523	2.2
105.07027	57.0
107.04962	13.4
107.08592	55.7
109.02843	2.0
109.06528	10.8
109.10153	22.4
111.04426	2.3
111.08093	6.9
113.09662	1.9
115.05450	3.6
117.07018	25.5
119.04930	1.4
119.08579	43.5
121.06502	11.7
121.10146	26.4
123.08069	5.9
123.11697	5.1
125.09628	9.2
126.09917	1.4
127.03922	5.4
128.06218	3.1
129.05490	2.6
129.07004	8.4
130.07863	1.8
131.08563	31.1
133.06471	2.4
133.10126	34.7
135.08092	7.6
135.11681	24.1
137.09627	3.3
139.11172	1.8
141.06970	4.3
142.07758	2.8
143.08580	9.2
145.06517	3.3
145.10121	23.8
147.08054	2.3
147.11690	17.6
149.09628	18.2
149.13246	16.2
151.11177	3.8
154.07704	1.5
155.07442	1.7
155.08507	8.1
157.10138	7.6
159.08104	3.2
159.11681	22.9
161.09651	1.9
161.13249	6.5
163.11166	13.4
165.12749	2.2
169.10152	7.2
171.08124	1.3
171.10333	2.1
171.11697	8.9
173.04454	5.4
173.05846	1.8
173.09657	2.0
173.11870	1.8
173.13194	7.1
175.07698	1.3
175.11240	3.1
177.12749	6.3
179.14357	3.6
181.10201	1.7
181.12239	1.8
183.11693	5.2
185.13289	4.0
187.11185	2.9
187.14864	2.9
189.11232	6.4
189.12660	3.2
195.11919	2.3
195.13808	7.3
197.13235	3.2
199.14749	1.7
201.12732	1.9
213.12781	1.6
213.16518	2.1
217.15990	1.9
227.12778	16.1
229.14374	2.5
229.19556	3.6
239.17903	5.4
247.20549	4.0
251.16522	2.4
253.14328	2.7
255.15886	16.5
257.19025	12.0
259.20468	2.0
267.15903	4.8
269.17471	46.1
270.17874	1.6
273.18616	2.1
275.20047	52.0
276.20462	1.7
277.21783	1.5
291.19638	2.0
293.18091	1.7
293.21118	6.0
299.19962	1.8
313.21503	2.4
331.22775	3.9
349.19745	2.9
349.23737	45.1
367.24875	5.8
413.21521	2.1
423.27509	2.8
431.28052	1.6
433.30780	1.9
435.27386	2.7
439.27036	3.3
445.29688	2.0
449.28955	22.1
451.32248	1.7
463.30539	39.3
503.33752	2.7
525.35614	6.0
529.35321	10.3
540.83026	1.7
543.36804	63.8
544.37012	2.4
547.36450	2.4
561.37665	9.6
593.33661	1.9
607.34613	5.0
623.43036	10.3
641.43890	5.8
687.40637	2.3
785.48438	1.8
1019.47955	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5939
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04980	6.5
73.02914	4.2
78.31213	2.2
79.05495	82.0
81.03429	16.9
81.07058	100.0
81.95381	2.5
82.07395	2.9
83.04980	11.8
83.08614	19.0
85.02914	12.9
85.06525	5.5
86.26553	2.3
91.03954	5.9
91.05482	96.0
93.07043	82.3
93.07639	5.2
95.04966	22.4
95.08604	53.6
97.02901	12.3
97.06526	15.3
97.10165	12.6
97.11306	2.1
99.04443	3.7
103.05471	5.3
105.07030	72.6
107.04955	11.1
107.08582	48.8
109.06538	7.1
109.10162	29.3
111.08084	6.2
115.05456	5.2
117.07021	40.3
119.04964	2.5
119.08581	56.0
121.06504	8.7
121.10140	27.5
123.08071	9.8
123.11678	2.7
125.09629	8.6
127.03943	4.9
128.06218	9.0
129.05531	4.1
129.06999	25.5
130.07855	4.4
131.08565	40.3
133.06516	4.5
133.10133	49.9
135.08093	3.7
135.11703	18.0
137.09633	3.9
139.11153	3.8
141.06995	8.6
142.07751	4.6
143.08580	22.6
145.10126	39.6
147.08057	4.1
147.11691	32.5
149.09616	14.7
149.13235	12.3
151.11224	5.6
155.08565	15.4
157.10106	20.0
159.11696	31.6
161.09598	3.4
161.13214	12.9
163.11220	8.9
167.08714	4.9
169.10138	17.0
171.11697	19.8
173.04465	4.8
173.09573	2.9
173.11880	4.3
173.13275	18.1
175.11197	4.2
175.14909	5.2
177.12756	4.8
179.14229	4.9
181.10126	6.9
183.11612	13.3
184.07262	3.5
185.13297	12.8
187.14857	8.3
189.11171	5.4
191.14464	3.0
195.11687	7.7
195.13721	5.4
197.13304	7.7
199.14937	5.2
201.16336	2.9
205.09962	2.7
207.11955	3.4
209.13321	5.0
211.14799	3.1
213.12856	2.5
215.17953	4.1
219.13960	2.7
221.13326	2.6
223.14871	2.4
227.12872	9.8
229.14334	4.2
229.19522	2.7
231.21089	4.1
237.16197	2.6
239.17993	3.4
241.19624	9.0
255.15881	3.7
257.19031	8.6
259.20541	23.2
267.15747	3.2
268.87161	2.4
269.17422	20.3
273.18570	3.3
275.20047	36.0
291.19458	3.4
297.22083	2.7
333.24075	23.2
335.25793	3.1
349.23792	23.1
351.25595	3.0
421.31088	5.7
435.32816	3.6
445.29752	2.8
453.33820	3.8
463.30432	9.6
487.34387	3.0
503.33701	3.2
513.35767	21.7
515.38086	3.7
525.35315	2.9
527.37335	23.0
543.36749	8.6
607.43433	15.6
625.44623	14.8
641.43353	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	1017.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01832	0.3
80.25763	0.2
81.03396	0.5
89.03894	0.3
91.05487	0.5
95.04965	0.5
98.21478	0.4
105.03373	0.3
105.06998	0.2
107.01317	0.2
107.04948	0.7
109.02896	0.5
111.00815	1.8
111.04441	0.4
115.05459	0.6
117.03376	0.2
117.07047	0.2
119.04907	0.5
121.02856	0.8
123.04427	12.5
127.03919	4.2
129.07072	0.3
131.04918	0.7
133.02888	0.3
133.06473	0.2
135.04411	3.7
137.02345	11.0
137.03368	0.4
137.05952	0.3
139.03903	8.4
141.06950	0.4
143.03444	0.4
143.04927	0.9
145.02777	0.3
145.06482	0.4
147.04404	3.2
149.02339	4.0
149.05968	0.4
151.03894	2.1
153.00578	0.3
153.01823	5.5
155.03403	0.8
155.04915	0.5
157.02859	0.2
157.06496	1.0
159.04419	0.6
161.02309	0.4
161.05954	1.1
163.03900	7.6
165.01814	0.5
165.05499	0.8
167.03426	0.6
167.04858	0.3
169.06476	0.4
171.04414	0.9
173.06004	0.9
175.03929	2.2
177.05481	1.4
179.03374	1.3
181.06523	0.6
183.04469	0.4
185.05949	1.7
187.03864	1.6
189.05450	3.1
191.03348	1.3
193.04974	0.9
195.04378	0.4
197.05984	1.3
199.03899	1.1
201.05453	2.0
203.03395	4.9
203.07027	0.7
205.04977	0.6
207.02902	0.6
209.06044	0.2
211.07373	0.3
213.05476	4.2
215.03343	0.7
215.07019	0.4
217.04886	1.3
219.06329	0.3
220.93631	0.2
221.04463	0.6
225.05440	0.7
227.03429	1.4
227.07076	0.3
229.04984	2.8
231.02969	0.3
231.06505	4.2
233.04468	0.6
237.05415	1.1
241.04874	2.2
242.05675	0.4
243.06543	0.7
245.04431	3.9
247.05995	8.2
247.08434	0.4
251.03062	0.2
253.04964	0.9
255.06512	1.3
257.04449	15.0
258.05228	1.4
259.06021	5.1
265.04932	0.9
265.07474	0.2
267.06509	0.4
269.04440	4.1
270.05127	0.3
271.03064	0.3
271.05966	5.8
272.06470	0.2
273.04260	0.3
273.07477	0.8
275.05423	0.8
279.06549	0.5
281.04434	1.1
282.05203	0.3
283.02908	0.4
283.06003	5.1
284.06564	0.2
285.03937	0.8
285.07602	0.6
286.04648	0.5
287.05493	100.0
288.05716	1.6
289.07086	1.8
293.04404	0.4
295.05984	0.6
297.03857	0.7
297.07486	0.3
299.05490	2.2
301.07047	5.9
303.08755	0.3
305.07611	0.3
307.05994	0.6
309.04114	0.3
309.07520	0.4
311.05539	1.7
313.07242	0.3
315.04993	0.3
321.07700	0.3
323.05502	0.6
325.07028	0.4
327.05142	0.6
331.06049	0.3
333.07489	0.3
335.05463	0.4
345.07513	0.8
347.05496	0.5
349.06967	0.8
351.04828	0.3
351.08655	0.3
361.07047	0.9
363.08694	0.5
365.06403	0.3
367.08170	0.2
373.07278	1.1
375.08878	0.3
377.06467	1.1
379.08118	0.9
381.09842	0.3
385.06982	0.6
389.06592	1.7
391.08145	4.5
393.05899	0.5
393.10037	2.8
395.07678	1.7
401.06604	0.5
403.08099	0.7
405.05807	0.4
407.07541	2.9
409.09207	6.8
413.08762	3.2
417.05673	1.0
419.07617	1.2
421.09106	0.6
425.08649	0.9
431.07736	1.3
435.06165	0.4
435.10812	1.0
437.08768	0.6
445.05301	0.2
447.07095	2.1
449.08917	1.1
455.09253	0.3
459.07248	0.2
471.07181	0.2
515.09491	0.6
525.08044	0.5
527.09845	0.3
529.11432	0.3
533.10803	13.2
534.11102	0.4
537.08038	0.4
539.09058	0.3
541.08215	0.7
543.09058	3.6
545.10364	0.3
551.09393	0.5
555.09271	1.2
557.10767	1.4
561.10364	4.7
563.11517	0.8
569.10840	2.1
573.10278	4.1
575.11920	0.3
579.11200	0.9
581.10443	0.3
585.09900	0.4
587.11664	0.5
659.11194	0.4
677.12726	3.1
695.13965	9.4
696.14111	0.3
846.99731	0.3
847.15082	5.1
865.16144	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	1016.5791
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58732	4.1
73.96883	2.6
78.33898	2.4
79.05062	3.5
79.05492	44.2
80.34368	2.4
81.03401	15.3
81.07055	55.6
83.04974	7.7
83.08617	13.0
85.02892	6.0
85.06522	7.1
85.10178	2.7
90.98946	2.6
91.05482	46.7
93.07037	46.8
95.04961	17.9
95.08608	29.5
95.97932	2.9
97.02876	15.0
97.06503	10.4
97.10161	10.9
105.07034	29.4
107.04950	10.0
107.08600	35.4
109.02907	3.8
109.06513	6.6
109.10152	21.4
111.08080	5.4
117.07014	14.0
119.08589	24.5
121.06508	11.2
121.10178	14.4
123.04472	2.7
123.08047	5.9
123.11649	5.2
125.09642	12.4
128.06212	2.8
129.07013	6.2
131.08585	15.7
133.06561	3.2
133.10147	18.6
135.08073	7.6
135.11694	9.4
137.09584	3.5
139.03877	10.7
143.08543	5.6
145.06479	3.0
145.10109	13.0
147.08022	7.6
147.11678	8.0
149.09598	8.1
149.13251	6.8
152.05713	3.0
157.10120	5.3
159.11676	10.3
163.11188	6.9
169.10199	5.5
171.11757	3.4
173.13329	3.9
175.11218	2.9
177.12723	6.8
183.11794	3.6
189.11206	6.2
195.13797	5.1
223.13289	16.9
227.12811	11.2
253.14290	6.6
255.15898	3.9
257.19022	4.0
264.33499	2.9
267.16003	4.2
269.17508	25.5
273.18488	18.6
275.20020	14.8
291.19543	100.0
291.32663	3.4
292.19733	3.9
331.33664	3.1
341.14102	2.9
349.23660	8.6
365.23199	40.3
541.34912	5.4
545.35114	16.5
559.36230	84.2
639.42712	18.3
657.43353	4.0
812.45850	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	1016.5781
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03922	1.5
79.05492	47.8
81.03419	9.4
81.07053	50.3
83.04981	7.6
83.05375	1.2
83.08617	12.7
83.31094	1.1
85.02896	5.1
85.06545	2.4
91.03951	1.2
91.05475	40.4
93.07039	42.4
95.01325	1.1
95.04964	15.6
95.08604	22.5
97.02885	13.2
97.06537	12.0
97.10166	17.5
98.20795	1.2
99.04450	1.4
99.08073	1.7
101.13644	0.9
103.05452	2.1
105.04501	2.2
105.07028	32.6
107.04952	15.0
107.08588	29.0
109.02876	1.5
109.06515	6.3
109.10165	13.6
111.04420	1.4
111.08076	4.4
115.05426	2.0
117.07007	14.4
119.04934	2.6
119.08579	21.8
120.05730	1.5
121.06515	8.5
121.10136	11.0
123.04405	1.8
123.08045	4.6
123.11724	2.9
125.09633	18.4
127.03932	1.9
128.06219	2.3
129.05466	1.3
129.07011	8.5
130.07794	2.1
131.08565	18.0
133.06488	4.5
133.10133	16.9
134.07256	1.6
135.08043	8.1
135.11703	9.5
137.09679	2.7
139.03880	1.9
139.11169	1.6
141.06995	2.0
142.07811	1.3
143.08568	7.6
145.06444	3.1
145.10107	14.8
147.08029	7.3
147.11693	9.4
149.09607	8.8
149.13246	5.6
151.11137	1.4
153.09077	2.3
155.08577	3.3
157.10164	5.5
159.08037	1.5
159.11678	11.4
161.09612	3.1
161.13264	4.2
163.11212	6.5
165.09180	1.9
167.08488	1.1
169.10164	2.7
169.12215	1.1
171.10352	1.3
171.11711	5.3
173.04510	1.3
173.13275	2.9
175.11195	3.1
177.12735	3.4
179.14368	1.9
183.11696	2.3
185.13231	1.6
187.11214	1.3
187.14772	2.3
189.11182	7.4
189.12698	1.6
193.12233	2.6
195.13889	2.8
197.13208	1.6
199.11195	1.3
199.14803	1.5
205.12296	2.1
223.13258	20.2
227.12738	19.5
229.14323	1.6
229.19476	1.9
239.17975	1.8
249.14836	4.6
253.14397	1.7
255.15799	2.7
257.19019	8.6
267.15881	2.4
269.17505	10.7
273.18549	14.5
275.20056	23.9
291.19537	100.0
292.19907	2.0
293.17697	1.1
293.20938	2.2
331.22586	3.0
333.24185	1.4
347.22137	3.6
349.23743	25.6
365.23218	45.0
366.23291	1.5
461.29248	1.6
519.32794	2.0
535.32489	2.9
541.35229	3.3
543.36542	1.2
545.34656	11.1
559.36316	41.5
560.36768	2.3
621.41052	2.3
639.32104	2.1
639.42554	40.8
640.42499	2.0
657.43427	2.6
703.39880	1.8
957.01862	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.7
55.01866	1.5
55.05511	4.0
56.05035	6.4
56.96565	4.6
57.03436	1.9
58.06592	0.6
58.99858	1.9
59.05007	2.9
59.06127	6.9
59.52182	0.4
59.93098	1.0
59.96180	0.5
59.99926	1.0
60.04521	1.0
60.95842	1.4
60.99615	0.6
63.37411	0.4
68.02641	1.3
68.04544	0.6
69.01934	0.4
69.03435	0.6
69.38470	0.4
69.38811	4.3
70.99841	0.7
71.01354	2.0
72.08147	1.1
73.02911	1.7
74.02430	1.6
74.06072	1.7
74.45378	0.4
77.00910	4.7
78.00972	1.4
78.52943	0.6
79.00659	0.5
79.01858	1.5
81.03413	0.4
81.36024	0.4
82.01460	0.4
82.06599	0.3
82.99811	0.6
83.01488	0.8
83.04969	1.8
83.06205	0.6
83.06385	0.7
83.06904	7.5
84.01191	0.7
84.04498	3.6
84.08134	1.3
85.02879	1.0
89.00881	0.7
95.01925	1.8
96.02064	0.7
100.02489	3.8
101.00875	7.6
101.02547	12.3
101.06033	1.0
101.07240	0.6
101.07949	3.3
102.02236	4.9
102.02872	0.7
102.05549	1.9
102.09181	1.3
102.12817	0.4
115.01195	0.8
118.03501	3.3
119.01918	100.0
119.03616	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	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.6
53.03946	6.0
55.01866	2.9
55.05509	21.1
56.05033	4.8
56.05828	0.4
56.96563	45.9
57.03436	3.0
57.05370	0.5
58.00577	0.4
58.06598	7.1
58.96165	4.5
58.99855	2.0
59.04998	10.6
59.06118	5.1
59.06926	1.5
59.93116	1.9
59.96180	1.2
60.02136	0.4
60.04524	1.3
60.95851	8.1
61.02944	0.8
63.35203	0.3
63.97192	0.3
67.05501	0.8
68.00256	0.7
68.02648	1.3
68.99805	0.6
69.01899	0.6
69.03426	1.2
69.07065	0.7
70.07380	1.8
70.09317	0.4
70.87760	0.9
70.98129	0.7
70.99865	0.4
71.01353	2.9
71.04990	7.2
71.06948	0.4
71.07369	0.8
71.95254	2.2
72.04530	0.7
72.07701	1.8
72.08153	3.3
72.96011	0.4
73.02911	4.2
73.06562	0.7
73.08477	1.3
73.94859	0.4
74.00266	0.3
74.06068	1.6
74.09717	5.8
74.97614	0.6
75.01046	1.1
77.00874	6.2
78.00980	0.6
78.52980	0.4
79.01851	0.8
82.06565	0.6
82.99844	0.6
83.00783	1.4
83.01512	0.5
83.04477	0.7
83.04980	14.5
83.06175	0.5
83.06383	0.5
83.06906	7.1
84.01609	1.7
84.04490	2.8
84.08150	3.0
84.96042	0.6
85.02898	1.8
86.01295	1.1
86.52708	0.5
88.99159	1.0
89.00792	0.5
90.01537	0.9
90.51331	0.7
91.36908	0.3
92.01295	1.4
92.03737	0.4
92.98627	0.5
93.02089	0.5
95.01935	2.0
96.02039	0.4
98.01302	0.8
98.97578	3.5
99.02471	4.7
100.02477	3.5
101.00880	7.6
101.01718	0.8
101.02509	10.0
101.06021	5.7
101.07173	1.4
101.07947	2.9
101.10904	0.5
101.11592	2.3
102.00941	0.4
102.02241	3.1
102.04707	0.3
102.05549	1.2
102.09178	1.6
102.12817	11.4
103.02426	0.4
107.00224	0.5
108.02988	0.9
110.97570	0.7
115.01197	0.4
115.02405	0.4
115.97873	0.4
116.98632	3.5
118.03506	2.8
119.01915	100.0
119.03630	8.0
119.53341	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	3.7
56.96562	7.3
58.96166	7.3
59.06115	5.9
59.96159	1.2
59.99923	0.8
60.04519	2.0
60.95852	3.0
64.96057	0.6
67.05479	0.7
70.29633	2.7
70.30031	1.3
71.95232	0.9
73.94858	1.0
74.06055	0.7
77.00880	0.6
82.99809	0.6
83.01517	1.1
84.04496	0.7
87.78909	0.6
88.28340	0.6
88.67181	0.6
91.45459	0.6
100.02487	2.1
100.97167	2.3
100.97978	1.1
101.00871	11.3
101.02552	10.4
101.07085	1.3
102.02225	4.0
102.67185	0.6
118.03545	1.0
118.98247	1.6
119.01917	100.0
119.03604	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	1007.5543
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02330	2.8
72.77632	0.6
73.02921	1.9
74.98420	0.5
79.05501	2.6
81.03434	1.3
81.07077	2.4
83.04998	0.8
85.02907	3.4
91.03959	1.6
91.05493	2.4
93.07063	1.9
95.08637	1.7
97.02885	3.3
98.78086	0.5
99.77409	0.6
101.02328	0.9
102.86958	0.5
105.07057	1.9
107.08612	1.0
119.08610	1.0
121.10205	0.7
127.03910	0.9
133.10153	1.0
137.09612	0.6
203.05397	1.0
243.08582	1.8
246.63228	0.6
313.94534	0.6
333.20599	0.7
347.09644	2.2
363.09015	0.9
405.13657	5.7
441.96292	0.6
453.21039	0.9
463.14413	1.0
509.29556	0.7
535.28906	2.4
551.28131	3.4
551.79822	0.8
574.73242	0.6
648.20490	0.7
653.51727	0.7
697.33728	2.8
713.33252	5.0
785.35364	0.7
845.49261	1.2
1007.55463	100.0
1008.55682	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	1009.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
70.14715	3.0
71.01018	1.0
71.01355	12.9
71.04955	1.4
73.02894	2.5
73.62905	0.8
75.04474	3.9
79.05479	4.8
81.03421	8.7
81.07047	16.1
83.08604	3.6
85.02898	39.6
87.00817	7.2
91.05460	5.2
93.07038	14.0
95.01303	3.1
95.04961	1.3
95.08602	32.6
97.02884	11.9
97.06539	1.1
97.10161	1.9
99.04442	5.7
101.02371	25.5
103.03938	0.9
105.01846	7.9
105.07025	18.9
107.08582	20.5
109.02862	10.3
109.10148	21.4
111.08079	1.8
111.11694	1.7
113.02332	0.8
115.75303	0.8
117.01849	1.0
117.07020	2.1
119.08574	23.1
121.10138	16.1
123.11693	8.2
127.03908	36.6
129.01857	1.4
129.07002	1.1
131.08557	6.3
133.10126	17.1
134.45486	0.7
135.11688	10.6
137.13239	2.6
139.11209	0.9
141.01822	8.0
143.08565	1.9
145.04951	100.0
145.10097	10.4
147.03044	0.8
147.11685	12.5
149.13237	6.4
151.14714	0.9
157.10141	3.1
159.02881	10.0
159.11685	9.2
161.13246	11.6
163.14822	4.6
169.10196	1.0
171.11769	3.7
173.13271	8.0
175.14827	11.9
177.16377	10.6
179.17975	1.6
182.21970	0.7
185.13268	3.0
187.14780	6.5
189.16362	11.4
191.17932	5.1
193.15910	1.4
197.13237	1.1
199.14879	3.1
201.16382	7.8
203.17952	10.6
205.15874	4.3
205.19545	6.0
207.17451	3.4
213.03929	2.2
213.16389	2.4
215.17896	4.1
217.16098	1.2
217.19479	13.0
219.17448	2.0
219.21083	1.4
227.17943	2.8
229.19600	4.2
231.04984	9.7
231.17455	1.1
231.21063	2.3
241.19560	1.6
243.21159	2.0
245.18919	1.3
245.22723	1.1
254.78862	0.7
255.21150	1.8
257.22607	2.1
259.20496	1.2
269.22598	1.7
271.24069	1.7
283.24033	1.0
295.24243	2.2
297.25745	1.6
313.25186	1.6
365.32095	2.2
393.10104	4.2
393.35107	1.9
395.10760	0.8
405.35156	6.5
423.36218	21.2
423.41965	1.1
441.37344	1.8
462.44897	0.8
581.38788	0.9
599.39404	2.2
617.40625	1.1
774.32953	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1005.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04987	17.1
75.04476	1.0
78.24437	0.4
79.05505	2.2
81.03399	1.4
81.07036	2.1
83.04978	6.7
85.02899	21.3
87.04433	0.6
91.05473	4.4
93.07040	7.0
95.04960	8.1
95.08594	2.8
95.49216	0.4
96.53991	0.4
97.02344	0.5
97.02862	2.4
97.06506	1.3
105.07018	10.2
107.04897	0.7
107.08582	3.6
109.02847	0.9
109.06514	9.0
109.10155	2.6
111.03716	0.6
111.04436	9.6
111.08085	0.7
113.00625	0.5
113.06003	0.7
115.05442	0.6
117.06994	1.7
119.08576	9.8
121.02863	1.6
121.06497	6.3
121.10181	2.4
123.04399	1.0
123.08070	3.6
125.05994	0.6
127.03918	2.6
128.06195	1.8
129.05481	5.9
129.07001	1.5
130.07767	0.6
131.08562	5.6
133.06471	1.3
133.10139	4.6
135.08041	4.3
135.11726	0.5
137.05948	1.1
137.09625	2.3
139.03891	0.5
139.07564	1.3
141.05434	0.7
141.06985	1.0
142.07732	1.9
143.08553	3.7
144.09286	0.5
145.06488	2.0
145.10106	7.5
146.07204	0.8
147.04265	0.6
147.06496	1.1
147.08034	5.5
147.11667	2.1
148.08772	0.6
149.05942	0.7
149.09593	1.3
151.07497	1.3
153.01813	1.5
153.06950	0.6
155.08609	1.0
155.10635	2.3
156.09343	1.7
157.10120	6.6
158.07243	2.0
159.08038	5.0
159.11667	4.9
160.08775	0.8
161.05956	0.9
161.09601	10.6
163.07518	1.1
163.11172	1.0
165.01801	1.0
165.09064	1.8
168.09322	1.5
169.10098	0.9
171.08064	1.0
171.11653	1.9
172.08820	2.2
173.09634	3.4
173.13263	3.8
174.06725	0.7
175.07585	3.0
175.11186	5.7
177.09076	1.0
177.12730	0.6
181.10013	0.6
183.11673	2.4
185.09608	1.8
185.13243	1.9
186.10405	0.5
187.11157	4.9
189.09082	5.3
189.12720	1.1
191.10683	0.6
193.08583	0.7
193.10190	0.7
196.08830	1.4
199.11162	2.7
201.08977	0.7
201.12724	5.5
203.07076	0.5
203.10658	8.4
203.12538	0.5
203.14403	0.7
205.12251	2.3
207.10083	1.3
211.11174	3.9
213.05548	0.7
217.12259	3.6
219.13666	3.5
229.12222	6.8
231.06482	0.5
235.13303	1.4
241.05051	0.6
241.12178	0.5
247.13281	59.1
248.13606	1.2
258.05240	1.0
265.14343	8.9
287.05478	100.0
288.05768	2.3
329.17361	0.5
333.13336	1.6
343.15472	0.8
357.16751	0.6
373.16522	1.0
375.17865	0.8
391.17468	2.2
393.18982	2.4
409.18570	25.3
410.19037	0.8
411.20065	1.4
427.19714	4.5
431.09531	0.7
433.11301	13.1
519.22052	1.0
577.15613	0.8
748.59070	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33878	0.9
69.34306	0.4
71.01332	0.2
71.04987	2.7
75.04469	0.1
79.05468	0.4
81.03404	0.1
81.07047	1.0
83.04987	0.6
83.08618	0.2
85.02901	3.9
91.03920	0.2
91.05444	0.2
93.07021	0.3
95.04956	0.2
95.08609	0.8
97.02872	0.5
99.04445	0.3
105.03395	0.2
105.07030	0.1
107.04927	0.2
107.08567	0.3
109.10129	0.3
111.00763	0.3
111.04436	0.6
117.06876	0.1
121.02860	1.8
121.10109	0.4
123.11764	0.1
127.03903	0.3
129.04802	0.1
129.05508	1.2
133.02826	0.4
133.10127	0.2
135.11737	0.2
137.02333	0.5
145.06470	0.2
147.04375	0.4
147.06592	0.1
153.01819	2.2
157.06453	0.2
165.01849	1.3
183.02896	0.6
185.05923	0.2
185.10356	0.1
213.05434	1.1
231.06487	0.5
241.04932	0.8
241.13522	0.1
245.22708	0.3
245.86868	0.1
258.05307	0.7
259.05997	0.3
263.23694	1.1
269.04382	0.2
287.05478	100.0
288.05872	1.1
288.27393	0.1
299.05286	0.3
329.06573	0.3
373.27374	0.1
391.02350	0.1
395.07980	0.1
409.29529	0.8
449.10434	0.2
500.48209	0.2
695.34015	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.5993
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04989	5.7
73.02916	3.0
77.03908	3.0
79.05492	87.5
81.03431	16.3
81.07056	100.0
83.04973	12.2
83.08618	19.7
85.02890	12.5
85.06549	3.2
91.03931	6.7
91.05481	99.4
93.07043	85.9
95.04977	20.3
95.08604	61.7
97.02897	9.8
97.06515	15.6
97.10149	14.1
99.08082	4.9
103.05403	4.0
105.07034	80.2
107.04965	8.0
107.08593	52.3
109.02866	3.1
109.06509	12.3
109.10149	29.7
111.08051	8.5
113.09644	3.2
117.07014	33.6
119.08585	60.4
121.06505	8.6
121.10145	33.5
123.08042	4.2
123.11681	12.5
124.47849	2.4
125.09617	10.8
127.03901	4.3
128.06207	7.9
129.07001	24.6
130.07788	2.9
131.08569	46.1
133.06512	5.6
133.10130	49.5
135.08003	5.8
135.11723	22.3
137.09607	7.3
139.66513	2.4
141.06938	10.3
142.07845	4.8
143.08549	24.4
144.09351	3.7
145.06483	3.7
145.10132	42.1
147.07991	3.3
147.11678	28.4
149.09567	12.7
149.13229	15.2
151.11169	5.3
155.08559	10.4
156.09360	3.2
157.10135	16.6
159.11676	34.8
161.09644	6.7
161.13225	23.7
163.11214	9.1
163.14810	4.4
165.12691	3.0
167.08556	6.2
169.10080	14.5
171.08009	3.7
171.11697	21.7
173.04518	6.1
173.09573	3.3
173.11954	2.8
173.13208	14.2
175.14824	13.5
177.12732	3.8
179.14253	2.9
181.10098	8.0
183.11745	13.2
185.13199	17.3
187.11179	3.8
187.14825	8.2
193.10101	4.3
195.11670	9.8
195.13446	2.8
197.13277	9.9
199.14870	6.2
207.11778	4.4
209.13289	7.9
211.14824	4.9
213.16380	4.1
215.17961	3.1
227.17975	3.4
229.47237	3.2
231.20935	3.3
237.16299	3.8
239.17909	5.3
241.19571	15.4
243.21115	3.0
255.15961	11.3
257.19006	11.0
259.20560	35.7
267.16022	4.2
269.17267	14.6
273.18564	3.7
275.20074	26.6
297.22122	3.9
313.21738	3.4
315.23285	7.2
327.23416	3.1
333.24286	31.5
335.25800	5.7
347.23062	3.5
349.23770	19.8
367.24933	2.8
397.30896	3.2
417.31589	4.2
421.30930	3.7
435.32288	10.1
453.33694	5.1
471.34805	3.7
499.34158	3.4
509.36044	5.6
513.35638	25.5
515.37958	6.8
527.37305	48.5
531.36652	4.8
533.39716	5.9
543.36481	2.9
545.38281	7.8
589.42041	3.3
607.43622	46.0
625.44519	46.3
689.42249	4.1
727.61963	3.3
751.47900	3.6
769.48492	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	1002.5993
Annotation	Unknow
Peak:m/z	Relative Intensity
69.62479	23.8
71.04976	7.2
73.02920	6.0
75.16941	2.7
79.05495	92.3
81.03410	17.9
81.07055	100.0
83.04987	14.5
83.08620	18.3
85.02901	29.4
85.06539	4.0
87.75650	2.6
91.03951	9.3
91.05479	99.4
92.05813	3.1
93.06474	5.6
93.07044	99.2
95.04949	23.9
95.08604	68.7
97.02914	15.5
97.06518	10.9
97.10149	8.0
99.04465	5.3
99.08087	5.9
105.04538	4.1
105.07032	89.3
107.04951	9.7
107.08595	48.2
109.02845	3.4
109.06509	7.5
109.10155	28.9
111.04488	3.7
111.08060	10.4
115.05444	7.9
117.07024	48.2
119.08582	70.3
121.06470	4.3
121.10149	34.9
123.08047	5.9
123.11677	8.8
125.09623	7.8
127.03838	5.1
128.06215	12.5
129.06993	28.3
131.08572	52.5
133.06490	4.1
133.10129	50.4
135.08038	4.9
135.11697	21.1
137.09612	4.9
141.06961	11.4
142.07771	9.7
143.08588	29.1
144.09334	3.8
145.04947	6.5
145.06512	3.6
145.10117	52.4
147.08063	5.1
147.11690	34.0
149.09587	12.9
149.13226	10.8
155.08557	20.2
157.10129	34.0
159.11691	39.7
161.09631	4.0
161.13278	16.7
163.11159	6.0
163.14781	4.4
166.07793	3.3
167.08551	8.2
169.10149	27.0
171.11650	23.4
173.13234	16.9
175.11148	3.9
175.14758	9.7
179.08569	5.5
179.14333	3.5
181.10094	11.5
183.11707	21.8
184.07339	6.3
185.13232	18.3
187.11186	3.1
187.14783	9.6
195.11687	9.1
195.13739	2.9
197.13240	16.3
199.14798	12.0
201.16374	4.2
207.11740	3.7
209.13237	8.9
211.11353	3.3
211.14767	8.4
213.12811	4.4
213.14571	3.3
213.16409	6.7
221.13239	5.4
223.14793	9.0
225.16238	3.7
227.18134	4.9
229.14232	4.0
235.14893	3.7
237.16469	4.4
239.17947	5.5
241.19501	12.0
257.18982	9.0
259.20584	28.0
269.17545	11.8
273.18414	3.4
275.20013	7.9
277.21716	4.7
297.21857	4.0
315.22955	4.3
325.25308	3.6
333.24197	23.7
335.25839	11.6
343.26526	3.7
349.23898	6.5
367.22595	4.3
379.30051	4.1
391.29965	3.1
435.32343	5.9
513.35168	7.4
515.37927	4.3
517.40076	6.0
527.37469	20.7
567.40137	4.1
591.43842	4.6
607.43073	12.6
609.45062	70.0
610.45319	4.8
625.44385	11.0
771.50763	5.3
909.37695	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	1000.5838
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04997	5.3
78.76025	4.2
79.05488	47.6
81.03423	12.9
81.07050	40.4
81.38647	4.3
83.04952	7.1
83.08622	13.3
85.02914	7.5
91.05480	57.5
93.07043	49.1
95.04957	20.7
95.08598	24.9
97.02857	8.8
97.06557	8.4
97.10178	15.4
105.07032	55.5
107.04957	8.5
107.08580	25.0
109.06564	6.1
109.10172	20.6
117.07012	21.6
119.08584	45.0
121.06471	11.0
121.10125	17.7
123.11681	4.2
125.09632	14.3
129.06999	13.2
131.08548	21.1
133.10123	38.3
135.08095	4.8
135.11665	8.9
136.06177	12.4
139.03891	4.8
143.08537	15.4
145.10138	16.4
147.08020	7.6
147.11729	28.1
149.09555	5.1
149.13174	6.4
157.10094	9.6
159.11691	18.7
161.13278	14.8
169.10117	6.9
171.11703	13.9
173.13171	8.6
175.11206	5.2
175.14838	12.1
183.11647	8.2
185.13260	6.1
189.11209	12.2
189.12781	4.4
193.12228	6.5
197.13300	6.4
213.16357	6.3
217.58511	4.4
223.13205	12.6
227.12814	11.7
241.19458	25.6
259.20624	56.8
273.18558	6.7
275.20056	5.5
291.16507	7.9
291.19534	100.0
313.27344	5.5
315.23071	12.6
320.63751	4.4
333.24277	61.5
349.23846	7.9
350.62897	4.2
365.23294	45.3
379.29889	9.3
410.35626	4.0
513.36975	5.3
525.35486	16.0
529.34705	5.1
543.36877	22.1
605.41986	12.2
623.43048	89.0
641.43884	10.2
684.02142	4.5
END